REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1mnf_1_J DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 0.873 123.692 122.820 -0.001 0.000 2.511 3 A HA 0.532 4.852 4.320 -0.000 0.000 0.242 3 A C 0.206 177.791 177.584 0.001 0.000 1.069 3 A CA 0.350 52.390 52.037 0.005 0.000 0.763 3 A CB -0.113 18.893 19.000 0.009 0.000 1.001 3 A HN 0.599 nan 8.150 nan 0.000 0.498 4 K N 1.144 121.549 120.400 0.008 0.000 2.185 4 K HA 0.447 4.766 4.320 -0.000 0.000 0.240 4 K C -1.172 175.449 176.600 0.035 0.000 0.983 4 K CA -0.685 55.605 56.287 0.006 0.000 0.873 4 K CB 1.429 33.930 32.500 0.002 0.000 1.118 4 K HN 0.719 nan 8.250 nan 0.000 0.441 5 D N 0.993 121.428 120.400 0.057 0.000 2.425 5 D HA 0.291 4.931 4.640 -0.000 0.000 0.240 5 D C -1.292 175.142 176.300 0.223 0.000 1.080 5 D CA -0.587 53.502 54.000 0.149 0.000 0.836 5 D CB 1.137 42.066 40.800 0.215 0.000 1.125 5 D HN 0.052 nan 8.370 nan 0.000 0.525 6 V N 4.879 124.861 119.914 0.113 0.000 2.384 6 V HA 0.417 4.537 4.120 -0.000 0.000 0.287 6 V C 0.387 176.365 176.094 -0.193 0.000 1.020 6 V CA -0.719 61.559 62.300 -0.036 0.000 0.850 6 V CB 1.514 33.270 31.823 -0.111 0.000 0.987 6 V HN 0.374 nan 8.190 nan 0.000 0.436 7 K N 3.607 123.785 120.400 -0.370 0.000 2.208 7 K HA 0.740 5.060 4.320 -0.000 0.000 0.247 7 K C -1.437 174.826 176.600 -0.562 0.000 0.953 7 K CA -0.513 55.492 56.287 -0.470 0.000 0.837 7 K CB 2.316 34.333 32.500 -0.805 0.000 1.131 7 K HN 0.422 nan 8.250 nan 0.000 0.431 8 F N -0.735 119.147 119.950 -0.113 0.000 2.631 8 F HA 0.322 4.848 4.527 -0.000 0.000 0.328 8 F C 1.438 177.199 175.800 -0.065 0.000 1.067 8 F CA 0.027 57.989 58.000 -0.064 0.000 0.969 8 F CB 1.184 40.159 39.000 -0.041 0.000 1.332 8 F HN 0.814 nan 8.300 nan 0.000 0.490 9 G N 1.401 110.323 108.800 0.205 0.000 2.738 9 G HA2 -0.488 3.472 3.960 -0.000 0.000 0.391 9 G HA3 -0.488 3.472 3.960 -0.000 0.000 0.391 9 G C 1.460 176.382 174.900 0.037 0.000 1.049 9 G CA 1.307 46.464 45.100 0.094 0.000 0.855 9 G HN 0.774 nan 8.290 nan 0.000 0.757 10 N N 0.877 119.591 118.700 0.024 0.000 2.104 10 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 10 N C 1.773 177.270 175.510 -0.021 0.000 1.024 10 N CA 2.133 55.184 53.050 0.002 0.000 0.853 10 N CB -0.369 38.119 38.487 0.000 0.000 1.008 10 N HN 0.516 nan 8.380 nan 0.000 0.424 11 D N 0.768 121.149 120.400 -0.032 0.000 2.097 11 D HA -0.098 4.542 4.640 -0.000 0.000 0.195 11 D C 1.874 178.092 176.300 -0.137 0.000 0.989 11 D CA 1.265 55.214 54.000 -0.084 0.000 0.827 11 D CB -0.502 40.235 40.800 -0.104 0.000 0.966 11 D HN 0.392 nan 8.370 nan 0.000 0.456 12 A N 1.137 123.873 122.820 -0.140 0.000 1.877 12 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 12 A C 2.209 179.756 177.584 -0.062 0.000 1.186 12 A CA 1.395 53.340 52.037 -0.154 0.000 0.620 12 A CB -0.455 18.476 19.000 -0.116 0.000 0.822 12 A HN 0.122 nan 8.150 nan 0.000 0.443 13 R N -0.449 120.032 120.500 -0.031 0.000 2.073 13 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 13 R C 2.238 178.533 176.300 -0.007 0.000 1.134 13 R CA 1.793 57.888 56.100 -0.008 0.000 0.952 13 R CB -0.839 29.461 30.300 -0.000 0.000 0.850 13 R HN 0.615 nan 8.270 nan 0.000 0.433 14 V N -0.093 119.811 119.914 -0.017 0.000 2.407 14 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 14 V C 1.962 178.054 176.094 -0.003 0.000 1.055 14 V CA 1.511 63.804 62.300 -0.011 0.000 1.049 14 V CB -0.399 31.414 31.823 -0.016 0.000 0.662 14 V HN 0.101 nan 8.190 nan 0.000 0.455 15 K N 0.200 120.594 120.400 -0.011 0.000 2.002 15 K HA -0.044 4.276 4.320 -0.000 0.000 0.209 15 K C 2.283 178.912 176.600 0.049 0.000 1.048 15 K CA 2.241 58.544 56.287 0.026 0.000 0.930 15 K CB -0.626 31.896 32.500 0.037 0.000 0.714 15 K HN 0.546 nan 8.250 nan 0.000 0.438 16 M N 0.434 120.060 119.600 0.044 0.000 2.080 16 M HA -0.211 4.269 4.480 -0.000 0.000 0.260 16 M C 2.316 178.633 176.300 0.028 0.000 1.068 16 M CA 1.267 56.593 55.300 0.043 0.000 1.109 16 M CB -0.512 32.110 32.600 0.036 0.000 1.342 16 M HN 0.046 nan 8.290 nan 0.000 0.405 17 L N 0.681 121.915 121.223 0.019 0.000 1.990 17 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 17 L C 2.456 179.335 176.870 0.015 0.000 1.072 17 L CA 2.000 56.849 54.840 0.014 0.000 0.755 17 L CB -0.540 41.524 42.059 0.009 0.000 0.889 17 L HN 0.169 nan 8.230 nan 0.000 0.432 18 R N -0.696 119.814 120.500 0.017 0.000 2.105 18 R HA -0.119 4.221 4.340 -0.000 0.000 0.239 18 R C 2.222 178.533 176.300 0.018 0.000 1.135 18 R CA 1.171 57.281 56.100 0.016 0.000 0.967 18 R CB -1.007 29.304 30.300 0.019 0.000 0.861 18 R HN 0.619 nan 8.270 nan 0.000 0.442 19 G N 0.763 109.577 108.800 0.024 0.000 2.433 19 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 19 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 19 G C 1.479 176.387 174.900 0.013 0.000 1.186 19 G CA 1.072 46.184 45.100 0.021 0.000 0.779 19 G HN 0.331 nan 8.290 nan 0.000 0.543 20 V N -0.190 119.732 119.914 0.013 0.000 2.759 20 V HA -0.076 4.044 4.120 -0.000 0.000 0.256 20 V C 2.154 178.252 176.094 0.007 0.000 1.080 20 V CA 2.113 64.419 62.300 0.009 0.000 1.101 20 V CB -0.516 31.314 31.823 0.011 0.000 0.698 20 V HN 0.204 nan 8.190 nan 0.000 0.477 21 N N 0.934 119.638 118.700 0.008 0.000 2.188 21 N HA -0.078 4.662 4.740 -0.000 0.000 0.184 21 N C 1.812 177.324 175.510 0.004 0.000 1.018 21 N CA 1.769 54.822 53.050 0.006 0.000 0.858 21 N CB -0.367 38.124 38.487 0.006 0.000 0.989 21 N HN 0.513 nan 8.380 nan 0.000 0.426 22 V N 1.586 121.502 119.914 0.004 0.000 2.307 22 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 22 V C 2.376 178.469 176.094 -0.001 0.000 1.045 22 V CA 1.014 63.315 62.300 0.001 0.000 1.024 22 V CB -0.553 31.270 31.823 0.001 0.000 0.651 22 V HN 0.182 nan 8.190 nan 0.000 0.449 23 L N 1.143 122.366 121.223 -0.001 0.000 1.943 23 L HA -0.109 4.231 4.340 -0.000 0.000 0.215 23 L C 2.505 179.372 176.870 -0.003 0.000 1.074 23 L CA 2.664 57.502 54.840 -0.004 0.000 0.759 23 L CB -1.258 40.799 42.059 -0.004 0.000 0.888 23 L HN 0.205 nan 8.230 nan 0.000 0.433 24 A N -0.672 122.148 122.820 -0.001 0.000 1.892 24 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 24 A C 2.016 179.600 177.584 -0.001 0.000 1.188 24 A CA 2.168 54.205 52.037 -0.000 0.000 0.631 24 A CB -1.190 17.812 19.000 0.003 0.000 0.822 24 A HN 0.648 nan 8.150 nan 0.000 0.447 25 D N -0.165 120.235 120.400 -0.000 0.000 2.182 25 D HA -0.061 4.579 4.640 -0.000 0.000 0.201 25 D C 2.153 178.452 176.300 -0.002 0.000 0.986 25 D CA 1.510 55.509 54.000 -0.001 0.000 0.847 25 D CB -0.372 40.428 40.800 -0.000 0.000 0.942 25 D HN 0.470 nan 8.370 nan 0.000 0.467 26 A N 0.212 123.030 122.820 -0.004 0.000 1.897 26 A HA -0.062 4.258 4.320 -0.000 0.000 0.215 26 A C 2.483 180.064 177.584 -0.006 0.000 1.181 26 A CA 0.850 52.883 52.037 -0.005 0.000 0.620 26 A CB -0.498 18.497 19.000 -0.007 0.000 0.821 26 A HN 0.141 nan 8.150 nan 0.000 0.443 27 V N 1.293 121.203 119.914 -0.006 0.000 2.346 27 V HA -0.216 3.904 4.120 -0.000 0.000 0.244 27 V C 2.493 178.585 176.094 -0.005 0.000 1.037 27 V CA 2.124 64.420 62.300 -0.007 0.000 1.029 27 V CB -0.622 31.197 31.823 -0.008 0.000 0.663 27 V HN 0.837 nan 8.190 nan 0.000 0.454 28 K N 1.456 121.854 120.400 -0.003 0.000 2.442 28 K HA -0.114 4.206 4.320 -0.000 0.000 0.198 28 K C 1.747 178.346 176.600 -0.001 0.000 1.044 28 K CA 1.712 57.998 56.287 -0.001 0.000 0.948 28 K CB -0.659 31.841 32.500 0.000 0.000 0.762 28 K HN 0.499 nan 8.250 nan 0.000 0.472 29 V N -0.244 119.669 119.914 -0.002 0.000 2.913 29 V HA -0.151 3.969 4.120 -0.000 0.000 0.260 29 V C 2.243 178.336 176.094 -0.002 0.000 1.098 29 V CA 1.735 64.034 62.300 -0.002 0.000 1.121 29 V CB -1.041 30.780 31.823 -0.002 0.000 0.714 29 V HN 0.554 nan 8.190 nan 0.000 0.487 30 T N -2.290 112.263 114.554 -0.003 0.000 3.067 30 T HA 0.200 4.550 4.350 -0.000 0.000 0.257 30 T C 0.673 175.372 174.700 -0.002 0.000 1.105 30 T CA -0.063 62.035 62.100 -0.003 0.000 1.104 30 T CB -0.320 68.545 68.868 -0.005 0.000 0.925 30 T HN 0.343 nan 8.240 nan 0.000 0.498 31 L N 2.700 123.923 121.223 -0.001 0.000 2.540 31 L HA 0.467 4.807 4.340 -0.000 0.000 0.276 31 L C 0.946 177.817 176.870 0.002 0.000 1.212 31 L CA 1.741 56.582 54.840 0.001 0.000 0.893 31 L CB -0.678 41.382 42.059 0.002 0.000 1.138 31 L HN 0.762 nan 8.230 nan 0.000 0.491 32 G N 4.275 113.075 108.800 0.001 0.000 2.746 32 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.685 32 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.685 32 G C -1.937 172.960 174.900 -0.005 0.000 1.350 32 G CA -0.306 44.795 45.100 0.000 0.000 0.837 32 G HN 0.598 nan 8.290 nan 0.000 0.564 33 P HA 0.033 nan 4.420 nan 0.000 0.226 33 P C 0.798 178.091 177.300 -0.012 0.000 1.153 33 P CA 1.061 64.151 63.100 -0.017 0.000 0.777 33 P CB 0.172 31.852 31.700 -0.033 0.000 0.794 34 K N 0.236 120.633 120.400 -0.004 0.000 2.514 34 K HA 0.257 4.577 4.320 -0.000 0.000 0.207 34 K C 1.061 177.662 176.600 0.001 0.000 1.035 34 K CA -0.243 56.044 56.287 -0.001 0.000 1.113 34 K CB 0.342 32.846 32.500 0.007 0.000 0.846 34 K HN 0.041 nan 8.250 nan 0.000 0.491 35 G N 1.704 110.504 108.800 -0.001 0.000 2.474 35 G HA2 0.010 3.970 3.960 -0.000 0.000 0.233 35 G HA3 0.010 3.970 3.960 -0.000 0.000 0.233 35 G C 0.146 175.045 174.900 -0.001 0.000 1.278 35 G CA -0.286 44.813 45.100 -0.001 0.000 0.861 35 G HN 0.072 nan 8.290 nan 0.000 0.567 36 R N 0.831 121.331 120.500 -0.001 0.000 2.549 36 R HA 0.223 4.563 4.340 -0.000 0.000 0.267 36 R C 0.043 176.341 176.300 -0.003 0.000 1.045 36 R CA -0.803 55.296 56.100 -0.002 0.000 1.115 36 R CB 0.490 30.789 30.300 -0.001 0.000 1.121 36 R HN 0.646 nan 8.270 nan 0.000 0.543 37 N N -0.798 117.900 118.700 -0.003 0.000 2.524 37 N HA 0.283 5.023 4.740 -0.000 0.000 0.283 37 N C -0.914 174.593 175.510 -0.005 0.000 1.142 37 N CA -0.353 52.695 53.050 -0.004 0.000 0.984 37 N CB 1.276 39.761 38.487 -0.003 0.000 1.155 37 N HN 0.081 nan 8.380 nan 0.000 0.467 38 V N 2.159 122.069 119.914 -0.006 0.000 2.540 38 V HA 0.331 4.451 4.120 -0.000 0.000 0.302 38 V C -0.438 175.652 176.094 -0.007 0.000 1.035 38 V CA -0.778 61.518 62.300 -0.007 0.000 0.873 38 V CB 1.881 33.699 31.823 -0.008 0.000 0.992 38 V HN 0.328 nan 8.190 nan 0.000 0.428 39 V N 6.555 126.464 119.914 -0.008 0.000 2.350 39 V HA 0.440 4.559 4.120 -0.000 0.000 0.276 39 V C -0.166 175.920 176.094 -0.012 0.000 1.028 39 V CA -0.386 61.908 62.300 -0.009 0.000 0.860 39 V CB 1.184 33.002 31.823 -0.009 0.000 0.990 39 V HN 0.593 nan 8.190 nan 0.000 0.453 40 L N 3.897 125.113 121.223 -0.013 0.000 2.287 40 L HA 0.517 4.857 4.340 -0.000 0.000 0.287 40 L C 0.024 176.883 176.870 -0.019 0.000 1.022 40 L CA -0.534 54.296 54.840 -0.017 0.000 0.814 40 L CB 1.563 43.613 42.059 -0.016 0.000 1.217 40 L HN 0.521 nan 8.230 nan 0.000 0.420 41 D N 3.141 123.525 120.400 -0.026 0.000 2.357 41 D HA 0.257 4.897 4.640 -0.000 0.000 0.242 41 D C -0.513 175.762 176.300 -0.041 0.000 1.153 41 D CA 0.252 54.231 54.000 -0.034 0.000 0.918 41 D CB 0.939 41.714 40.800 -0.043 0.000 1.181 41 D HN 0.341 nan 8.370 nan 0.000 0.435 42 K N -0.037 120.333 120.400 -0.051 0.000 2.426 42 K HA 0.231 4.551 4.320 -0.000 0.000 0.251 42 K C 0.990 177.513 176.600 -0.128 0.000 0.941 42 K CA -0.584 55.668 56.287 -0.058 0.000 0.808 42 K CB 1.810 34.300 32.500 -0.017 0.000 1.265 42 K HN 0.417 nan 8.250 nan 0.000 0.432 43 S N 0.990 116.576 115.700 -0.190 0.000 2.382 43 S HA -0.053 4.417 4.470 -0.000 0.000 0.228 43 S C 0.353 174.502 174.600 -0.752 0.000 1.027 43 S CA 0.880 58.797 58.200 -0.472 0.000 0.991 43 S CB -0.223 62.692 63.200 -0.475 0.000 0.823 43 S HN 0.407 nan 8.310 nan 0.000 0.469 44 F N 1.184 121.132 119.950 -0.004 0.000 2.562 44 F HA 0.698 5.225 4.527 -0.000 0.000 0.319 44 F C 0.794 176.592 175.800 -0.003 0.000 1.154 44 F CA -0.004 57.994 58.000 -0.003 0.000 0.931 44 F CB 1.780 40.779 39.000 -0.003 0.000 1.198 44 F HN 0.472 nan 8.300 nan 0.000 0.444 45 G N 1.327 110.228 108.800 0.169 0.000 2.297 45 G HA2 0.440 4.400 3.960 -0.000 0.000 0.209 45 G HA3 0.440 4.400 3.960 -0.000 0.000 0.209 45 G C -1.660 173.270 174.900 0.050 0.000 1.267 45 G CA -0.398 44.760 45.100 0.096 0.000 1.127 45 G HN 1.055 nan 8.290 nan 0.000 0.498 46 A N 0.574 123.415 122.820 0.034 0.000 2.312 46 A HA 0.893 5.213 4.320 -0.000 0.000 0.328 46 A C -1.971 175.619 177.584 0.010 0.000 1.158 46 A CA -0.913 51.135 52.037 0.018 0.000 0.821 46 A CB 0.510 19.520 19.000 0.016 0.000 1.170 46 A HN 0.640 nan 8.150 nan 0.000 0.490 47 P HA 0.177 nan 4.420 nan 0.000 0.269 47 P C -0.245 177.054 177.300 -0.002 0.000 1.211 47 P CA 0.261 63.358 63.100 -0.005 0.000 0.781 47 P CB 0.343 32.038 31.700 -0.008 0.000 0.877 48 T N 2.220 116.772 114.554 -0.004 0.000 2.799 48 T HA 0.474 4.824 4.350 -0.000 0.000 0.286 48 T C 0.242 174.939 174.700 -0.004 0.000 0.973 48 T CA -0.200 61.898 62.100 -0.003 0.000 1.035 48 T CB -0.002 68.864 68.868 -0.004 0.000 0.932 48 T HN 0.174 nan 8.240 nan 0.000 0.469 49 I N 3.050 123.618 120.570 -0.003 0.000 2.355 49 I HA 0.433 4.603 4.170 -0.000 0.000 0.288 49 I C 0.425 176.540 176.117 -0.004 0.000 0.999 49 I CA -0.392 60.906 61.300 -0.004 0.000 1.163 49 I CB 1.580 39.578 38.000 -0.002 0.000 1.316 49 I HN 0.508 nan 8.210 nan 0.000 0.454 50 T N 4.580 119.131 114.554 -0.005 0.000 2.896 50 T HA 0.419 4.769 4.350 -0.000 0.000 0.297 50 T C 0.003 174.700 174.700 -0.005 0.000 1.108 50 T CA -0.588 61.509 62.100 -0.005 0.000 1.004 50 T CB 1.689 70.554 68.868 -0.006 0.000 1.159 50 T HN 0.623 nan 8.240 nan 0.000 0.499 51 K N 1.544 121.941 120.400 -0.005 0.000 2.478 51 K HA 0.194 4.514 4.320 -0.000 0.000 0.205 51 K C -0.690 175.906 176.600 -0.006 0.000 1.033 51 K CA -0.245 56.038 56.287 -0.005 0.000 1.091 51 K CB 0.498 32.996 32.500 -0.005 0.000 0.844 51 K HN 0.446 nan 8.250 nan 0.000 0.507 52 D N 0.324 120.719 120.400 -0.007 0.000 2.441 52 D HA 0.110 4.750 4.640 -0.000 0.000 0.221 52 D C 1.257 177.550 176.300 -0.011 0.000 1.156 52 D CA -0.171 53.824 54.000 -0.009 0.000 0.896 52 D CB 1.051 41.846 40.800 -0.008 0.000 1.028 52 D HN 0.213 nan 8.370 nan 0.000 0.509 53 G N 2.387 111.180 108.800 -0.011 0.000 2.503 53 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.221 53 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.221 53 G C 1.529 176.419 174.900 -0.017 0.000 1.131 53 G CA 0.915 46.008 45.100 -0.012 0.000 0.756 53 G HN 0.483 nan 8.290 nan 0.000 0.572 54 V N 0.840 120.742 119.914 -0.019 0.000 2.343 54 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 54 V C 3.098 179.178 176.094 -0.023 0.000 1.051 54 V CA 2.220 64.505 62.300 -0.025 0.000 1.036 54 V CB -0.548 31.257 31.823 -0.029 0.000 0.654 54 V HN 0.386 nan 8.190 nan 0.000 0.451 55 S N -0.054 115.635 115.700 -0.019 0.000 2.370 55 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 55 S C 2.020 176.609 174.600 -0.018 0.000 1.033 55 S CA 1.595 59.785 58.200 -0.017 0.000 1.011 55 S CB -0.258 62.934 63.200 -0.013 0.000 0.852 55 S HN 0.400 nan 8.310 nan 0.000 0.457 56 V N 2.151 122.055 119.914 -0.016 0.000 2.295 56 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 56 V C 2.689 178.772 176.094 -0.018 0.000 1.049 56 V CA 1.681 63.972 62.300 -0.016 0.000 1.024 56 V CB -1.358 30.457 31.823 -0.013 0.000 0.648 56 V HN 0.541 nan 8.190 nan 0.000 0.447 57 A N -0.119 122.690 122.820 -0.019 0.000 1.917 57 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 57 A C 2.429 179.998 177.584 -0.024 0.000 1.182 57 A CA 2.307 54.331 52.037 -0.021 0.000 0.633 57 A CB -0.674 18.311 19.000 -0.024 0.000 0.819 57 A HN 0.466 nan 8.150 nan 0.000 0.448 58 R N -0.637 119.848 120.500 -0.026 0.000 2.105 58 R HA -0.141 4.199 4.340 -0.000 0.000 0.239 58 R C 1.394 177.678 176.300 -0.027 0.000 1.135 58 R CA 1.525 57.608 56.100 -0.028 0.000 0.967 58 R CB -0.114 30.169 30.300 -0.028 0.000 0.861 58 R HN 0.476 nan 8.270 nan 0.000 0.442 59 E N 0.189 120.375 120.200 -0.024 0.000 2.435 59 E HA -0.013 4.337 4.350 -0.000 0.000 0.195 59 E C 0.240 176.826 176.600 -0.023 0.000 1.029 59 E CA 0.207 56.593 56.400 -0.024 0.000 0.865 59 E CB 0.191 29.878 29.700 -0.023 0.000 0.833 59 E HN 0.232 nan 8.360 nan 0.000 0.510 60 I N 2.030 122.587 120.570 -0.022 0.000 2.436 60 I HA 0.132 4.302 4.170 -0.000 0.000 0.289 60 I C 0.342 176.446 176.117 -0.021 0.000 1.083 60 I CA 0.224 61.512 61.300 -0.020 0.000 1.372 60 I CB 0.072 38.062 38.000 -0.016 0.000 1.408 60 I HN -0.070 nan 8.210 nan 0.000 0.516 61 E N 7.069 127.256 120.200 -0.021 0.000 2.291 61 E HA 0.468 4.818 4.350 -0.000 0.000 0.276 61 E C -1.598 174.990 176.600 -0.021 0.000 0.896 61 E CA -0.581 55.805 56.400 -0.023 0.000 0.774 61 E CB 1.962 31.645 29.700 -0.027 0.000 1.227 61 E HN 0.443 nan 8.360 nan 0.000 0.413 62 L N 3.387 124.599 121.223 -0.019 0.000 2.360 62 L HA 0.355 4.695 4.340 -0.000 0.000 0.271 62 L C 1.551 178.410 176.870 -0.018 0.000 1.057 62 L CA -0.355 54.476 54.840 -0.014 0.000 0.803 62 L CB 1.416 43.472 42.059 -0.005 0.000 1.207 62 L HN 0.749 nan 8.230 nan 0.000 0.445 63 E N 0.879 121.071 120.200 -0.013 0.000 2.072 63 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 63 E C 0.541 177.133 176.600 -0.014 0.000 0.985 63 E CA 0.623 57.015 56.400 -0.014 0.000 0.801 63 E CB 0.252 29.947 29.700 -0.008 0.000 0.750 63 E HN 0.644 nan 8.360 nan 0.000 0.452 64 D N 0.675 121.077 120.400 0.004 0.000 2.358 64 D HA -0.053 4.587 4.640 -0.000 0.000 0.258 64 D C 0.624 176.917 176.300 -0.013 0.000 1.223 64 D CA 0.047 54.061 54.000 0.024 0.000 0.886 64 D CB 0.905 41.745 40.800 0.066 0.000 1.120 64 D HN 0.076 nan 8.370 nan 0.000 0.482 65 K N 3.481 123.826 120.400 -0.093 0.000 2.113 65 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 65 K C 1.863 178.300 176.600 -0.273 0.000 1.047 65 K CA 1.224 57.372 56.287 -0.232 0.000 0.928 65 K CB -0.265 32.005 32.500 -0.384 0.000 0.716 65 K HN 0.481 nan 8.250 nan 0.000 0.446 66 F N 1.739 121.674 119.950 -0.025 0.000 2.163 66 F HA -0.060 4.467 4.527 -0.000 0.000 0.297 66 F C 2.415 178.202 175.800 -0.022 0.000 1.094 66 F CA 1.049 59.032 58.000 -0.028 0.000 1.290 66 F CB -0.461 38.521 39.000 -0.030 0.000 1.017 66 F HN 0.085 nan 8.300 nan 0.000 0.483 67 E N -0.076 120.220 120.200 0.161 0.000 2.110 67 E HA -0.250 4.099 4.350 -0.000 0.000 0.193 67 E C 1.789 178.411 176.600 0.038 0.000 0.988 67 E CA 1.268 57.718 56.400 0.083 0.000 0.804 67 E CB -0.337 29.400 29.700 0.062 0.000 0.745 67 E HN 0.320 nan 8.360 nan 0.000 0.458 68 N N 0.592 119.297 118.700 0.009 0.000 2.142 68 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 68 N C 1.727 177.226 175.510 -0.017 0.000 1.023 68 N CA 1.119 54.159 53.050 -0.016 0.000 0.852 68 N CB 0.025 38.486 38.487 -0.042 0.000 0.998 68 N HN 0.052 nan 8.380 nan 0.000 0.424 69 M N -0.700 118.887 119.600 -0.022 0.000 2.159 69 M HA -0.035 4.445 4.480 -0.000 0.000 0.263 69 M C 2.093 178.398 176.300 0.009 0.000 1.063 69 M CA 1.596 56.886 55.300 -0.015 0.000 1.110 69 M CB -0.455 32.136 32.600 -0.015 0.000 1.374 69 M HN 0.310 nan 8.290 nan 0.000 0.411 70 G N -0.132 108.685 108.800 0.027 0.000 2.421 70 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.216 70 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.216 70 G C 1.616 176.524 174.900 0.013 0.000 1.171 70 G CA 0.995 46.111 45.100 0.027 0.000 0.775 70 G HN 0.540 nan 8.290 nan 0.000 0.543 71 A N 0.065 122.890 122.820 0.008 0.000 1.877 71 A HA -0.081 4.238 4.320 -0.000 0.000 0.216 71 A C 2.411 179.990 177.584 -0.007 0.000 1.186 71 A CA 2.046 54.083 52.037 -0.000 0.000 0.620 71 A CB -0.433 18.564 19.000 -0.004 0.000 0.822 71 A HN 0.305 nan 8.150 nan 0.000 0.443 72 Q N -0.486 119.308 119.800 -0.011 0.000 2.181 72 Q HA -0.146 4.194 4.340 -0.000 0.000 0.205 72 Q C 2.125 178.117 176.000 -0.013 0.000 0.980 72 Q CA 1.640 57.433 55.803 -0.017 0.000 0.862 72 Q CB -0.589 28.135 28.738 -0.023 0.000 0.905 72 Q HN 0.799 nan 8.270 nan 0.000 0.429 73 M N -0.276 119.321 119.600 -0.005 0.000 2.077 73 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 73 M C 2.313 178.614 176.300 0.002 0.000 1.070 73 M CA 1.498 56.798 55.300 0.001 0.000 1.125 73 M CB -0.521 32.084 32.600 0.009 0.000 1.339 73 M HN 0.171 nan 8.290 nan 0.000 0.409 74 V N -0.223 119.693 119.914 0.004 0.000 2.548 74 V HA -0.200 3.920 4.120 -0.000 0.000 0.249 74 V C 2.117 178.206 176.094 -0.009 0.000 1.055 74 V CA 1.872 64.176 62.300 0.006 0.000 1.065 74 V CB -0.638 31.192 31.823 0.010 0.000 0.681 74 V HN 0.463 nan 8.190 nan 0.000 0.462 75 K N -0.546 119.845 120.400 -0.015 0.000 2.103 75 K HA -0.221 4.098 4.320 -0.000 0.000 0.207 75 K C 2.328 178.904 176.600 -0.041 0.000 1.048 75 K CA 1.964 58.235 56.287 -0.026 0.000 0.930 75 K CB -0.151 32.334 32.500 -0.024 0.000 0.716 75 K HN 0.561 nan 8.250 nan 0.000 0.444 76 E N 0.125 120.303 120.200 -0.037 0.000 2.028 76 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 76 E C 2.063 178.615 176.600 -0.080 0.000 0.988 76 E CA 1.604 57.974 56.400 -0.050 0.000 0.799 76 E CB -0.142 29.538 29.700 -0.032 0.000 0.755 76 E HN 0.314 nan 8.360 nan 0.000 0.447 77 V N -0.922 118.958 119.914 -0.056 0.000 2.667 77 V HA 0.015 4.135 4.120 -0.000 0.000 0.252 77 V C 2.251 178.238 176.094 -0.179 0.000 1.065 77 V CA 1.616 63.865 62.300 -0.085 0.000 1.083 77 V CB -0.651 31.212 31.823 0.066 0.000 0.692 77 V HN 0.166 nan 8.190 nan 0.000 0.468 78 A N 1.816 124.580 122.820 -0.094 0.000 1.902 78 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 78 A C 2.628 180.117 177.584 -0.159 0.000 1.181 78 A CA 2.502 54.486 52.037 -0.088 0.000 0.623 78 A CB -1.078 17.897 19.000 -0.041 0.000 0.818 78 A HN 0.987 nan 8.150 nan 0.000 0.443 79 S N -0.047 115.559 115.700 -0.155 0.000 2.402 79 S HA -0.174 4.296 4.470 -0.000 0.000 0.229 79 S C 1.791 176.243 174.600 -0.246 0.000 1.021 79 S CA 1.437 59.542 58.200 -0.158 0.000 0.974 79 S CB -0.421 62.710 63.200 -0.115 0.000 0.800 79 S HN 0.592 nan 8.310 nan 0.000 0.484 80 K N 1.429 121.593 120.400 -0.393 0.000 2.152 80 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 80 K C 2.484 178.690 176.600 -0.655 0.000 1.048 80 K CA 1.193 57.125 56.287 -0.592 0.000 0.933 80 K CB -0.573 31.343 32.500 -0.974 0.000 0.721 80 K HN 0.552 nan 8.250 nan 0.000 0.447 81 A N 1.827 124.287 122.820 -0.601 0.000 1.845 81 A HA -0.233 4.087 4.320 -0.000 0.000 0.215 81 A C 1.921 179.440 177.584 -0.108 0.000 1.195 81 A CA 1.932 53.842 52.037 -0.212 0.000 0.616 81 A CB -0.775 18.202 19.000 -0.039 0.000 0.832 81 A HN 0.279 nan 8.150 nan 0.000 0.443 82 N N 0.119 118.746 118.700 -0.122 0.000 2.137 82 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 82 N C 1.144 176.583 175.510 -0.117 0.000 1.017 82 N CA 1.708 54.697 53.050 -0.101 0.000 0.859 82 N CB -0.202 38.225 38.487 -0.100 0.000 1.002 82 N HN 0.456 nan 8.380 nan 0.000 0.428 83 D N -0.497 119.824 120.400 -0.132 0.000 2.117 83 D HA -0.052 4.588 4.640 -0.000 0.000 0.198 83 D C 1.709 177.963 176.300 -0.076 0.000 0.982 83 D CA 1.141 55.072 54.000 -0.116 0.000 0.828 83 D CB -0.389 40.339 40.800 -0.119 0.000 0.967 83 D HN 0.354 nan 8.370 nan 0.000 0.464 84 A N 0.217 123.011 122.820 -0.043 0.000 1.970 84 A HA 0.252 4.572 4.320 -0.000 0.000 0.216 84 A C 1.910 179.508 177.584 0.023 0.000 1.170 84 A CA 1.653 53.706 52.037 0.026 0.000 0.645 84 A CB 0.072 19.150 19.000 0.130 0.000 0.816 84 A HN 0.216 nan 8.150 nan 0.000 0.447 85 A N -2.759 120.063 122.820 0.004 0.000 2.628 85 A HA 0.479 4.798 4.320 -0.000 0.000 0.267 85 A C 1.468 179.039 177.584 -0.023 0.000 1.159 85 A CA 0.927 52.970 52.037 0.010 0.000 0.972 85 A CB -0.400 18.620 19.000 0.032 0.000 1.211 85 A HN 1.812 nan 8.150 nan 0.000 0.576 86 G N -0.461 108.286 108.800 -0.088 0.000 2.166 86 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.260 86 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.260 86 G C -0.150 174.700 174.900 -0.083 0.000 0.986 86 G CA 0.800 45.806 45.100 -0.157 0.000 0.683 86 G HN 0.924 nan 8.290 nan 0.000 0.527 87 D N -3.182 117.189 120.400 -0.048 0.000 2.807 87 D HA 0.559 5.199 4.640 -0.000 0.000 0.279 87 D C 0.824 177.116 176.300 -0.013 0.000 1.247 87 D CA 1.407 55.391 54.000 -0.026 0.000 0.749 87 D CB 0.301 41.097 40.800 -0.007 0.000 1.264 87 D HN 1.362 nan 8.370 nan 0.000 0.421 88 G N -0.122 108.674 108.800 -0.008 0.000 2.184 88 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.206 88 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.206 88 G C 1.056 175.955 174.900 -0.001 0.000 0.995 88 G CA 1.402 46.505 45.100 0.005 0.000 0.651 88 G HN 0.974 nan 8.290 nan 0.000 0.511 89 T N -1.554 112.987 114.554 -0.022 0.000 2.684 89 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 89 T C 2.219 176.910 174.700 -0.014 0.000 1.036 89 T CA 2.635 64.717 62.100 -0.030 0.000 1.148 89 T CB -0.882 67.958 68.868 -0.047 0.000 0.863 89 T HN 0.311 nan 8.240 nan 0.000 0.436 90 T N 1.886 116.433 114.554 -0.012 0.000 2.684 90 T HA -0.125 4.224 4.350 -0.000 0.000 0.267 90 T C 2.274 176.975 174.700 0.002 0.000 1.036 90 T CA 1.961 64.058 62.100 -0.006 0.000 1.148 90 T CB -1.077 67.787 68.868 -0.006 0.000 0.863 90 T HN 0.526 nan 8.240 nan 0.000 0.436 91 T N 1.996 116.554 114.554 0.006 0.000 2.684 91 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 91 T C 2.374 177.086 174.700 0.020 0.000 1.036 91 T CA 1.326 63.434 62.100 0.013 0.000 1.148 91 T CB -0.658 68.220 68.868 0.016 0.000 0.863 91 T HN 0.446 nan 8.240 nan 0.000 0.436 92 A N 1.120 123.955 122.820 0.026 0.000 1.940 92 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 92 A C 2.552 180.153 177.584 0.028 0.000 1.176 92 A CA 2.266 54.327 52.037 0.040 0.000 0.631 92 A CB -1.279 17.752 19.000 0.052 0.000 0.814 92 A HN 0.499 nan 8.150 nan 0.000 0.446 93 T N -0.371 114.191 114.554 0.014 0.000 2.708 93 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 93 T C 2.011 176.718 174.700 0.010 0.000 1.037 93 T CA 1.980 64.085 62.100 0.009 0.000 1.146 93 T CB -0.682 68.186 68.868 -0.000 0.000 0.865 93 T HN 0.700 nan 8.240 nan 0.000 0.435 94 V N 0.347 120.267 119.914 0.010 0.000 2.548 94 V HA 0.039 4.159 4.120 -0.000 0.000 0.249 94 V C 2.187 178.288 176.094 0.012 0.000 1.055 94 V CA 1.290 63.596 62.300 0.009 0.000 1.065 94 V CB -0.980 30.847 31.823 0.007 0.000 0.681 94 V HN 0.448 nan 8.190 nan 0.000 0.462 95 L N 0.560 121.793 121.223 0.016 0.000 2.093 95 L HA -0.015 4.325 4.340 -0.000 0.000 0.208 95 L C 3.031 179.913 176.870 0.019 0.000 1.085 95 L CA 1.598 56.450 54.840 0.019 0.000 0.755 95 L CB -0.823 41.251 42.059 0.024 0.000 0.904 95 L HN 0.462 nan 8.230 nan 0.000 0.435 96 A N -0.483 122.350 122.820 0.022 0.000 1.898 96 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 96 A C 2.250 179.844 177.584 0.017 0.000 1.181 96 A CA 1.721 53.772 52.037 0.023 0.000 0.620 96 A CB -0.553 18.462 19.000 0.026 0.000 0.819 96 A HN 0.487 nan 8.150 nan 0.000 0.442 97 Q N -0.401 119.407 119.800 0.013 0.000 2.096 97 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 97 Q C 2.139 178.145 176.000 0.010 0.000 0.982 97 Q CA 1.725 57.534 55.803 0.010 0.000 0.850 97 Q CB -0.353 28.389 28.738 0.008 0.000 0.901 97 Q HN 0.593 nan 8.270 nan 0.000 0.422 98 A N 0.950 123.776 122.820 0.010 0.000 1.858 98 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 98 A C 2.016 179.605 177.584 0.009 0.000 1.190 98 A CA 1.473 53.515 52.037 0.008 0.000 0.617 98 A CB -0.714 18.291 19.000 0.008 0.000 0.827 98 A HN 0.487 nan 8.150 nan 0.000 0.443 99 I N -0.303 120.274 120.570 0.011 0.000 2.179 99 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 99 I C 2.361 178.484 176.117 0.010 0.000 1.088 99 I CA 1.395 62.701 61.300 0.011 0.000 1.357 99 I CB -0.457 37.551 38.000 0.012 0.000 1.051 99 I HN 0.299 nan 8.210 nan 0.000 0.409 100 I N 0.445 121.023 120.570 0.012 0.000 2.179 100 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 100 I C 2.629 178.752 176.117 0.009 0.000 1.088 100 I CA 1.582 62.889 61.300 0.012 0.000 1.357 100 I CB -0.622 37.386 38.000 0.013 0.000 1.051 100 I HN 0.256 nan 8.210 nan 0.000 0.409 101 T N 0.297 114.856 114.554 0.008 0.000 2.652 101 T HA -0.179 4.170 4.350 -0.000 0.000 0.267 101 T C 1.841 176.545 174.700 0.006 0.000 1.039 101 T CA 1.408 63.512 62.100 0.007 0.000 1.153 101 T CB -0.166 68.706 68.868 0.006 0.000 0.863 101 T HN 0.286 nan 8.240 nan 0.000 0.428 102 E N 0.542 120.746 120.200 0.006 0.000 2.072 102 E HA 0.007 4.357 4.350 -0.000 0.000 0.190 102 E C 2.576 179.179 176.600 0.005 0.000 0.982 102 E CA 1.007 57.410 56.400 0.005 0.000 0.803 102 E CB -0.918 28.785 29.700 0.005 0.000 0.755 102 E HN 0.554 nan 8.360 nan 0.000 0.453 103 G N 1.545 110.349 108.800 0.006 0.000 2.440 103 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 103 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 103 G C 1.727 176.631 174.900 0.007 0.000 1.154 103 G CA 0.668 45.772 45.100 0.007 0.000 0.767 103 G HN 0.188 nan 8.290 nan 0.000 0.552 104 L N -0.315 120.912 121.223 0.007 0.000 2.141 104 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 104 L C 2.952 179.825 176.870 0.005 0.000 1.094 104 L CA 1.007 55.851 54.840 0.007 0.000 0.763 104 L CB -0.288 41.775 42.059 0.007 0.000 0.908 104 L HN 0.196 nan 8.230 nan 0.000 0.437 105 K N 0.199 120.601 120.400 0.004 0.000 2.026 105 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 105 K C 2.266 178.868 176.600 0.003 0.000 1.048 105 K CA 1.426 57.715 56.287 0.003 0.000 0.929 105 K CB -0.251 32.251 32.500 0.003 0.000 0.713 105 K HN 0.264 nan 8.250 nan 0.000 0.439 106 A N 0.963 123.785 122.820 0.003 0.000 1.908 106 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 106 A C 2.336 179.922 177.584 0.003 0.000 1.181 106 A CA 1.631 53.670 52.037 0.003 0.000 0.627 106 A CB -0.718 18.284 19.000 0.004 0.000 0.818 106 A HN 0.097 nan 8.150 nan 0.000 0.445 107 V N -0.263 119.654 119.914 0.005 0.000 2.295 107 V HA -0.244 3.875 4.120 -0.000 0.000 0.246 107 V C 3.034 179.130 176.094 0.004 0.000 1.049 107 V CA 1.955 64.258 62.300 0.005 0.000 1.024 107 V CB -1.246 30.581 31.823 0.007 0.000 0.648 107 V HN 0.617 nan 8.190 nan 0.000 0.447 108 A N -0.079 122.743 122.820 0.003 0.000 2.019 108 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 108 A C 2.224 179.808 177.584 0.001 0.000 1.164 108 A CA 1.693 53.731 52.037 0.002 0.000 0.644 108 A CB -0.569 18.432 19.000 0.001 0.000 0.805 108 A HN 0.599 nan 8.150 nan 0.000 0.449 109 A N -1.808 121.013 122.820 0.001 0.000 2.235 109 A HA 0.398 4.718 4.320 -0.000 0.000 0.208 109 A C 1.741 179.325 177.584 0.000 0.000 1.172 109 A CA 1.228 53.265 52.037 0.000 0.000 0.786 109 A CB -0.873 18.127 19.000 0.001 0.000 0.804 109 A HN 1.847 nan 8.150 nan 0.000 0.479 110 G N -1.876 106.924 108.800 0.001 0.000 2.144 110 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 110 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 110 G C 0.155 175.055 174.900 0.001 0.000 0.988 110 G CA 0.221 45.322 45.100 0.000 0.000 0.659 110 G HN 0.375 nan 8.290 nan 0.000 0.522 111 M N 0.501 120.102 119.600 0.002 0.000 2.255 111 M HA 0.254 4.734 4.480 -0.000 0.000 0.336 111 M C 0.702 177.004 176.300 0.003 0.000 1.135 111 M CA -0.593 54.709 55.300 0.002 0.000 1.145 111 M CB 0.440 33.041 32.600 0.003 0.000 1.473 111 M HN 0.125 nan 8.290 nan 0.000 0.462 112 N N 2.538 121.240 118.700 0.003 0.000 2.438 112 N HA 0.077 4.817 4.740 -0.000 0.000 0.267 112 N C -2.081 173.433 175.510 0.006 0.000 1.222 112 N CA -1.236 51.817 53.050 0.004 0.000 0.930 112 N CB 1.012 39.502 38.487 0.003 0.000 1.083 112 N HN 0.287 nan 8.380 nan 0.000 0.476 113 P HA -0.150 nan 4.420 nan 0.000 0.215 113 P C 1.685 178.990 177.300 0.008 0.000 1.157 113 P CA 1.444 64.549 63.100 0.009 0.000 0.874 113 P CB 0.201 31.908 31.700 0.012 0.000 0.790 114 M N -0.761 118.844 119.600 0.008 0.000 2.108 114 M HA -0.152 4.328 4.480 -0.000 0.000 0.261 114 M C 1.575 177.877 176.300 0.005 0.000 1.066 114 M CA 1.708 57.013 55.300 0.007 0.000 1.107 114 M CB -1.855 30.749 32.600 0.007 0.000 1.356 114 M HN -0.002 nan 8.290 nan 0.000 0.406 115 D N 0.384 120.786 120.400 0.004 0.000 2.144 115 D HA -0.039 4.601 4.640 -0.000 0.000 0.200 115 D C 2.343 178.645 176.300 0.003 0.000 0.978 115 D CA 0.886 54.887 54.000 0.003 0.000 0.833 115 D CB -0.104 40.698 40.800 0.002 0.000 0.961 115 D HN 0.330 nan 8.370 nan 0.000 0.470 116 L N 0.752 121.977 121.223 0.004 0.000 2.042 116 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 116 L C 2.535 179.407 176.870 0.004 0.000 1.076 116 L CA 1.196 56.039 54.840 0.004 0.000 0.749 116 L CB -0.307 41.755 42.059 0.005 0.000 0.893 116 L HN -0.014 nan 8.230 nan 0.000 0.432 117 K N 0.247 120.650 120.400 0.004 0.000 2.057 117 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 117 K C 2.321 178.922 176.600 0.001 0.000 1.050 117 K CA 1.185 57.474 56.287 0.004 0.000 0.935 117 K CB -0.009 32.493 32.500 0.005 0.000 0.715 117 K HN 0.068 nan 8.250 nan 0.000 0.439 118 R N -0.281 120.219 120.500 0.001 0.000 2.091 118 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 118 R C 2.296 178.595 176.300 -0.001 0.000 1.136 118 R CA 1.708 57.808 56.100 -0.001 0.000 0.959 118 R CB -0.505 29.795 30.300 -0.000 0.000 0.856 118 R HN 0.422 nan 8.270 nan 0.000 0.437 119 G N 0.695 109.495 108.800 -0.000 0.000 2.418 119 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 119 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 119 G C 1.433 176.332 174.900 -0.000 0.000 1.158 119 G CA 0.768 45.868 45.100 0.000 0.000 0.771 119 G HN 0.235 nan 8.290 nan 0.000 0.545 120 I N 1.089 121.659 120.570 0.000 0.000 2.127 120 I HA -0.172 3.998 4.170 -0.000 0.000 0.241 120 I C 2.369 178.484 176.117 -0.004 0.000 1.075 120 I CA 1.392 62.692 61.300 -0.000 0.000 1.334 120 I CB -0.234 37.767 38.000 0.001 0.000 1.040 120 I HN 0.071 nan 8.210 nan 0.000 0.405 121 D N 0.809 121.205 120.400 -0.006 0.000 2.104 121 D HA -0.228 4.412 4.640 -0.000 0.000 0.194 121 D C 2.055 178.349 176.300 -0.010 0.000 0.994 121 D CA 1.299 55.293 54.000 -0.011 0.000 0.830 121 D CB -0.280 40.513 40.800 -0.011 0.000 0.959 121 D HN 0.297 nan 8.370 nan 0.000 0.452 122 K N 0.722 121.118 120.400 -0.007 0.000 2.057 122 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 122 K C 2.043 178.640 176.600 -0.005 0.000 1.049 122 K CA 1.374 57.657 56.287 -0.006 0.000 0.931 122 K CB -0.067 32.431 32.500 -0.003 0.000 0.714 122 K HN 0.029 nan 8.250 nan 0.000 0.440 123 A N 0.551 123.369 122.820 -0.003 0.000 1.902 123 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 123 A C 2.225 179.807 177.584 -0.003 0.000 1.181 123 A CA 1.708 53.744 52.037 -0.002 0.000 0.623 123 A CB -0.618 18.382 19.000 0.000 0.000 0.818 123 A HN 0.186 nan 8.150 nan 0.000 0.443 124 V N -0.373 119.537 119.914 -0.007 0.000 2.343 124 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 124 V C 2.729 178.815 176.094 -0.014 0.000 1.051 124 V CA 2.438 64.731 62.300 -0.011 0.000 1.036 124 V CB -1.315 30.497 31.823 -0.018 0.000 0.654 124 V HN 0.599 nan 8.190 nan 0.000 0.451 125 T N 0.529 115.074 114.554 -0.015 0.000 2.684 125 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 125 T C 2.099 176.794 174.700 -0.009 0.000 1.036 125 T CA 1.737 63.828 62.100 -0.015 0.000 1.148 125 T CB -0.484 68.376 68.868 -0.014 0.000 0.863 125 T HN 0.573 nan 8.240 nan 0.000 0.436 126 A N 1.574 124.390 122.820 -0.006 0.000 1.883 126 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 126 A C 2.672 180.256 177.584 -0.000 0.000 1.186 126 A CA 2.061 54.097 52.037 -0.002 0.000 0.624 126 A CB -1.235 17.765 19.000 0.000 0.000 0.822 126 A HN 0.522 nan 8.150 nan 0.000 0.444 127 A N -0.676 122.144 122.820 -0.000 0.000 1.908 127 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 127 A C 2.228 179.813 177.584 0.001 0.000 1.181 127 A CA 1.893 53.931 52.037 0.002 0.000 0.627 127 A CB -0.991 18.011 19.000 0.002 0.000 0.818 127 A HN 0.444 nan 8.150 nan 0.000 0.445 128 V N 0.168 120.079 119.914 -0.004 0.000 2.407 128 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 128 V C 2.583 178.676 176.094 -0.001 0.000 1.055 128 V CA 2.094 64.391 62.300 -0.005 0.000 1.049 128 V CB -0.662 31.152 31.823 -0.015 0.000 0.662 128 V HN 0.504 nan 8.190 nan 0.000 0.455 129 E N -0.089 120.110 120.200 -0.001 0.000 2.047 129 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 129 E C 2.240 178.844 176.600 0.005 0.000 0.987 129 E CA 1.098 57.499 56.400 0.002 0.000 0.799 129 E CB -0.241 29.460 29.700 0.001 0.000 0.752 129 E HN 0.558 nan 8.360 nan 0.000 0.449 130 E N 0.555 120.759 120.200 0.006 0.000 2.160 130 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 130 E C 1.871 178.479 176.600 0.012 0.000 0.991 130 E CA 0.329 56.735 56.400 0.010 0.000 0.810 130 E CB -0.187 29.520 29.700 0.011 0.000 0.742 130 E HN 0.047 nan 8.360 nan 0.000 0.466 131 L N 0.500 121.729 121.223 0.010 0.000 2.072 131 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 131 L C 1.831 178.708 176.870 0.012 0.000 1.079 131 L CA 1.709 56.556 54.840 0.012 0.000 0.752 131 L CB -0.265 41.800 42.059 0.010 0.000 0.906 131 L HN -0.005 nan 8.230 nan 0.000 0.436 132 K N -1.052 119.354 120.400 0.010 0.000 2.097 132 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 132 K C 2.084 178.690 176.600 0.011 0.000 1.049 132 K CA 1.232 57.525 56.287 0.010 0.000 0.933 132 K CB -0.297 32.208 32.500 0.007 0.000 0.717 132 K HN 0.380 nan 8.250 nan 0.000 0.442 133 A N 1.484 124.311 122.820 0.011 0.000 1.877 133 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 133 A C 2.079 179.672 177.584 0.015 0.000 1.186 133 A CA 1.187 53.231 52.037 0.013 0.000 0.620 133 A CB -0.674 18.333 19.000 0.012 0.000 0.822 133 A HN 0.229 nan 8.150 nan 0.000 0.443 134 L N -0.042 121.191 121.223 0.018 0.000 2.191 134 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 134 L C 1.380 178.262 176.870 0.020 0.000 1.103 134 L CA 0.597 55.450 54.840 0.021 0.000 0.769 134 L CB -0.288 41.786 42.059 0.024 0.000 0.908 134 L HN 0.417 nan 8.230 nan 0.000 0.438 135 S N -0.452 115.259 115.700 0.017 0.000 2.552 135 S HA 0.084 4.554 4.470 -0.000 0.000 0.289 135 S C -0.189 174.421 174.600 0.016 0.000 1.304 135 S CA -0.464 57.746 58.200 0.017 0.000 1.063 135 S CB 0.599 63.807 63.200 0.015 0.000 0.848 135 S HN 0.032 nan 8.310 nan 0.000 0.499 136 V N 8.451 128.375 119.914 0.016 0.000 2.427 136 V HA 0.388 4.508 4.120 -0.000 0.000 0.286 136 V C -2.034 174.068 176.094 0.013 0.000 1.034 136 V CA -1.847 60.462 62.300 0.015 0.000 0.893 136 V CB 1.307 33.140 31.823 0.016 0.000 0.982 136 V HN 0.758 nan 8.190 nan 0.000 0.452 137 P HA 0.169 nan 4.420 nan 0.000 0.272 137 P C -0.606 176.701 177.300 0.010 0.000 1.230 137 P CA -0.219 62.888 63.100 0.011 0.000 0.788 137 P CB 0.471 32.177 31.700 0.010 0.000 0.949 138 C N 2.069 121.375 119.300 0.010 0.000 3.498 138 C HA 0.390 4.850 4.460 -0.000 0.000 0.218 138 C C 1.112 176.107 174.990 0.008 0.000 1.284 138 C CA 0.080 59.104 59.018 0.009 0.000 1.343 138 C CB -1.456 26.290 27.740 0.010 0.000 1.825 138 C HN 0.520 nan 8.230 nan 0.000 0.518 139 S N 1.190 116.894 115.700 0.007 0.000 2.514 139 S HA 0.105 4.575 4.470 -0.000 0.000 0.223 139 S C 0.324 174.927 174.600 0.005 0.000 1.046 139 S CA 0.199 58.403 58.200 0.006 0.000 0.914 139 S CB 0.086 63.291 63.200 0.007 0.000 0.807 139 S HN 0.955 nan 8.310 nan 0.000 0.497 140 D N 0.852 121.254 120.400 0.004 0.000 2.332 140 D HA 0.304 4.943 4.640 -0.000 0.000 0.252 140 D C 1.061 177.362 176.300 0.002 0.000 1.050 140 D CA -0.233 53.769 54.000 0.003 0.000 0.970 140 D CB 0.765 41.567 40.800 0.003 0.000 1.141 140 D HN 0.029 nan 8.370 nan 0.000 0.485 141 S N 0.390 116.091 115.700 0.001 0.000 2.419 141 S HA -0.278 4.192 4.470 -0.000 0.000 0.233 141 S C 1.602 176.202 174.600 0.000 0.000 1.016 141 S CA 1.151 59.351 58.200 -0.000 0.000 0.974 141 S CB -0.480 62.719 63.200 -0.001 0.000 0.786 141 S HN 0.621 nan 8.310 nan 0.000 0.492 142 K N 1.722 122.122 120.400 0.001 0.000 2.026 142 K HA -0.034 4.286 4.320 -0.000 0.000 0.208 142 K C 2.338 178.939 176.600 0.001 0.000 1.048 142 K CA 1.238 57.525 56.287 0.001 0.000 0.929 142 K CB -0.656 31.845 32.500 0.002 0.000 0.713 142 K HN 0.435 nan 8.250 nan 0.000 0.439 143 A N 1.506 124.327 122.820 0.003 0.000 1.855 143 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 143 A C 2.115 179.700 177.584 0.003 0.000 1.191 143 A CA 1.479 53.518 52.037 0.004 0.000 0.613 143 A CB -0.652 18.351 19.000 0.005 0.000 0.829 143 A HN 0.360 nan 8.150 nan 0.000 0.442 144 I N -0.034 120.537 120.570 0.002 0.000 2.185 144 I HA -0.379 3.791 4.170 -0.000 0.000 0.246 144 I C 2.932 179.049 176.117 -0.001 0.000 1.088 144 I CA 1.346 62.646 61.300 0.001 0.000 1.347 144 I CB -0.368 37.632 38.000 -0.001 0.000 1.041 144 I HN 0.395 nan 8.210 nan 0.000 0.415 145 A N -0.004 122.815 122.820 -0.002 0.000 1.898 145 A HA -0.226 4.093 4.320 -0.000 0.000 0.216 145 A C 2.253 179.836 177.584 -0.002 0.000 1.181 145 A CA 1.373 53.409 52.037 -0.003 0.000 0.620 145 A CB -0.576 18.422 19.000 -0.003 0.000 0.819 145 A HN 0.454 nan 8.150 nan 0.000 0.442 146 Q N -0.392 119.408 119.800 -0.000 0.000 2.030 146 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 146 Q C 2.179 178.179 176.000 0.000 0.000 0.986 146 Q CA 1.916 57.719 55.803 -0.000 0.000 0.843 146 Q CB -0.452 28.287 28.738 0.001 0.000 0.904 146 Q HN 0.485 nan 8.270 nan 0.000 0.420 147 V N 0.476 120.391 119.914 0.002 0.000 2.287 147 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 147 V C 2.254 178.349 176.094 0.002 0.000 1.053 147 V CA 2.025 64.327 62.300 0.003 0.000 1.027 147 V CB -1.287 30.540 31.823 0.006 0.000 0.646 147 V HN 0.572 nan 8.190 nan 0.000 0.447 148 G N -0.409 108.391 108.800 0.000 0.000 2.440 148 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 148 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 148 G C 1.677 176.576 174.900 -0.003 0.000 1.154 148 G CA 1.595 46.694 45.100 -0.002 0.000 0.767 148 G HN 0.490 nan 8.290 nan 0.000 0.552 149 T N 1.475 116.027 114.554 -0.003 0.000 2.708 149 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 149 T C 2.382 177.080 174.700 -0.003 0.000 1.037 149 T CA 1.076 63.173 62.100 -0.004 0.000 1.146 149 T CB -0.170 68.696 68.868 -0.004 0.000 0.865 149 T HN 0.277 nan 8.240 nan 0.000 0.435 150 I N 1.390 121.958 120.570 -0.003 0.000 2.286 150 I HA -0.157 4.013 4.170 -0.000 0.000 0.248 150 I C 2.578 178.694 176.117 -0.002 0.000 1.115 150 I CA 0.966 62.264 61.300 -0.004 0.000 1.392 150 I CB -0.416 37.583 38.000 -0.003 0.000 1.065 150 I HN 0.201 nan 8.210 nan 0.000 0.418 151 S N 0.962 116.664 115.700 0.002 0.000 2.406 151 S HA -0.013 4.457 4.470 -0.000 0.000 0.228 151 S C 1.961 176.564 174.600 0.005 0.000 1.020 151 S CA 1.045 59.248 58.200 0.006 0.000 0.965 151 S CB -0.212 62.995 63.200 0.012 0.000 0.798 151 S HN 0.516 nan 8.310 nan 0.000 0.488 152 A N 1.285 124.106 122.820 0.001 0.000 2.276 152 A HA 0.284 4.604 4.320 -0.000 0.000 0.212 152 A C 0.749 178.332 177.584 -0.002 0.000 1.230 152 A CA 0.158 52.195 52.037 -0.000 0.000 0.844 152 A CB -0.783 18.215 19.000 -0.003 0.000 0.860 152 A HN 0.486 nan 8.150 nan 0.000 0.486 153 N N -1.015 117.683 118.700 -0.003 0.000 2.780 153 N HA -0.210 4.530 4.740 -0.000 0.000 0.247 153 N C 0.131 175.637 175.510 -0.007 0.000 1.076 153 N CA 1.056 54.102 53.050 -0.005 0.000 0.688 153 N CB -1.913 36.571 38.487 -0.005 0.000 0.957 153 N HN 0.487 nan 8.380 nan 0.000 0.551 154 S N -1.558 114.138 115.700 -0.007 0.000 3.593 154 S HA -0.213 4.257 4.470 -0.000 0.000 0.301 154 S C -0.456 174.140 174.600 -0.006 0.000 1.209 154 S CA 0.727 58.922 58.200 -0.007 0.000 0.878 154 S CB -1.087 62.108 63.200 -0.009 0.000 1.000 154 S HN 0.730 nan 8.310 nan 0.000 0.578 155 D N 1.344 121.741 120.400 -0.006 0.000 2.456 155 D HA 0.284 4.924 4.640 -0.000 0.000 0.219 155 D C 1.101 177.398 176.300 -0.006 0.000 1.126 155 D CA -0.346 53.651 54.000 -0.005 0.000 0.890 155 D CB 0.459 41.256 40.800 -0.005 0.000 1.025 155 D HN 0.445 nan 8.370 nan 0.000 0.511 156 E N 1.046 121.243 120.200 -0.005 0.000 2.219 156 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 156 E C 1.354 177.951 176.600 -0.006 0.000 0.998 156 E CA 1.161 57.558 56.400 -0.005 0.000 0.818 156 E CB 0.307 30.004 29.700 -0.005 0.000 0.741 156 E HN 0.479 nan 8.360 nan 0.000 0.477 157 T N 0.699 115.249 114.554 -0.006 0.000 2.652 157 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 157 T C 2.112 176.808 174.700 -0.008 0.000 1.039 157 T CA 1.486 63.582 62.100 -0.007 0.000 1.153 157 T CB -0.313 68.551 68.868 -0.006 0.000 0.863 157 T HN 0.008 nan 8.240 nan 0.000 0.428 158 V N 1.514 121.423 119.914 -0.008 0.000 2.287 158 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 158 V C 2.894 178.981 176.094 -0.011 0.000 1.053 158 V CA 2.020 64.313 62.300 -0.011 0.000 1.027 158 V CB -1.549 30.268 31.823 -0.010 0.000 0.646 158 V HN 0.621 nan 8.190 nan 0.000 0.447 159 G N -0.345 108.450 108.800 -0.009 0.000 2.476 159 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.218 159 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.218 159 G C 1.643 176.538 174.900 -0.008 0.000 1.164 159 G CA 1.276 46.372 45.100 -0.008 0.000 0.768 159 G HN 0.513 nan 8.290 nan 0.000 0.560 160 K N -0.021 120.374 120.400 -0.008 0.000 2.002 160 K HA 0.005 4.325 4.320 -0.000 0.000 0.209 160 K C 2.585 179.179 176.600 -0.009 0.000 1.048 160 K CA 1.031 57.314 56.287 -0.007 0.000 0.930 160 K CB -0.345 32.151 32.500 -0.006 0.000 0.714 160 K HN 0.333 nan 8.250 nan 0.000 0.438 161 L N 1.042 122.258 121.223 -0.011 0.000 1.971 161 L HA -0.268 4.072 4.340 -0.000 0.000 0.215 161 L C 2.533 179.393 176.870 -0.016 0.000 1.072 161 L CA 1.605 56.437 54.840 -0.013 0.000 0.758 161 L CB -0.430 41.620 42.059 -0.015 0.000 0.889 161 L HN 0.306 nan 8.230 nan 0.000 0.433 162 I N -0.524 120.035 120.570 -0.018 0.000 2.208 162 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 162 I C 2.730 178.838 176.117 -0.016 0.000 1.097 162 I CA 1.261 62.548 61.300 -0.021 0.000 1.363 162 I CB -0.489 37.497 38.000 -0.023 0.000 1.051 162 I HN 0.272 nan 8.210 nan 0.000 0.413 163 A N 0.469 123.282 122.820 -0.012 0.000 1.930 163 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 163 A C 2.191 179.770 177.584 -0.008 0.000 1.175 163 A CA 1.525 53.557 52.037 -0.008 0.000 0.627 163 A CB -0.486 18.511 19.000 -0.006 0.000 0.815 163 A HN 0.464 nan 8.150 nan 0.000 0.443 164 E N -0.095 120.099 120.200 -0.009 0.000 2.072 164 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 164 E C 2.332 178.926 176.600 -0.010 0.000 0.985 164 E CA 0.852 57.247 56.400 -0.008 0.000 0.801 164 E CB -0.303 29.392 29.700 -0.008 0.000 0.750 164 E HN 0.603 nan 8.360 nan 0.000 0.452 165 A N 1.474 124.286 122.820 -0.013 0.000 1.877 165 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 165 A C 2.196 179.773 177.584 -0.012 0.000 1.186 165 A CA 1.444 53.473 52.037 -0.014 0.000 0.620 165 A CB -0.472 18.516 19.000 -0.020 0.000 0.822 165 A HN 0.132 nan 8.150 nan 0.000 0.443 166 M N -1.044 118.549 119.600 -0.012 0.000 2.296 166 M HA -0.120 4.360 4.480 -0.000 0.000 0.265 166 M C 1.748 178.045 176.300 -0.006 0.000 1.064 166 M CA 1.693 56.987 55.300 -0.009 0.000 1.109 166 M CB -0.463 32.132 32.600 -0.008 0.000 1.396 166 M HN 0.476 nan 8.290 nan 0.000 0.430 167 D N 0.661 121.058 120.400 -0.006 0.000 2.178 167 D HA -0.121 4.519 4.640 -0.000 0.000 0.202 167 D C 1.985 178.282 176.300 -0.004 0.000 0.974 167 D CA 1.106 55.103 54.000 -0.004 0.000 0.841 167 D CB 0.279 41.076 40.800 -0.004 0.000 0.953 167 D HN 0.027 nan 8.370 nan 0.000 0.478 168 K N -0.171 120.226 120.400 -0.005 0.000 2.031 168 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 168 K C 1.873 178.470 176.600 -0.004 0.000 1.049 168 K CA 1.221 57.505 56.287 -0.005 0.000 0.939 168 K CB -0.231 32.265 32.500 -0.006 0.000 0.717 168 K HN 0.304 nan 8.250 nan 0.000 0.438 169 V N -3.117 116.795 119.914 -0.005 0.000 3.427 169 V HA 0.433 4.553 4.120 -0.000 0.000 0.305 169 V C 0.460 176.553 176.094 -0.002 0.000 1.412 169 V CA 0.098 62.396 62.300 -0.003 0.000 1.086 169 V CB -0.212 31.608 31.823 -0.004 0.000 0.964 169 V HN 0.345 nan 8.190 nan 0.000 0.439 170 G N 2.088 110.887 108.800 -0.002 0.000 2.690 170 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 170 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 170 G C 0.050 174.949 174.900 -0.001 0.000 1.277 170 G CA -0.143 44.956 45.100 -0.000 0.000 0.799 170 G HN 0.636 nan 8.290 nan 0.000 0.613 171 K N -0.163 120.237 120.400 0.001 0.000 2.525 171 K HA 0.112 4.432 4.320 -0.000 0.000 0.192 171 K C 0.547 177.150 176.600 0.004 0.000 1.029 171 K CA 1.108 57.396 56.287 0.001 0.000 1.029 171 K CB 0.518 33.020 32.500 0.003 0.000 0.814 171 K HN 0.433 nan 8.250 nan 0.000 0.503 172 E N 1.221 121.425 120.200 0.005 0.000 2.693 172 E HA 0.122 4.472 4.350 -0.000 0.000 0.214 172 E C 0.347 176.951 176.600 0.007 0.000 0.990 172 E CA -0.092 56.313 56.400 0.009 0.000 1.047 172 E CB 1.214 30.920 29.700 0.011 0.000 1.039 172 E HN 0.365 nan 8.360 nan 0.000 0.475 173 G N 0.570 109.372 108.800 0.003 0.000 2.477 173 G HA2 0.367 4.327 3.960 -0.000 0.000 0.304 173 G HA3 0.367 4.327 3.960 -0.000 0.000 0.304 173 G C 0.084 174.983 174.900 -0.001 0.000 1.175 173 G CA -0.452 44.650 45.100 0.002 0.000 0.907 173 G HN -0.054 nan 8.290 nan 0.000 0.509 174 V N 1.061 120.976 119.914 0.001 0.000 2.521 174 V HA 0.261 4.381 4.120 -0.000 0.000 0.286 174 V C 0.251 176.337 176.094 -0.013 0.000 1.034 174 V CA 0.407 62.705 62.300 -0.003 0.000 1.045 174 V CB 0.297 32.123 31.823 0.004 0.000 0.974 174 V HN 0.422 nan 8.190 nan 0.000 0.480 175 I N 4.199 124.754 120.570 -0.025 0.000 2.534 175 I HA 0.470 4.640 4.170 -0.000 0.000 0.288 175 I C -0.168 175.922 176.117 -0.045 0.000 1.077 175 I CA -0.199 61.081 61.300 -0.034 0.000 1.051 175 I CB 2.409 40.383 38.000 -0.043 0.000 1.234 175 I HN 0.535 nan 8.210 nan 0.000 0.425 176 T N 4.799 119.331 114.554 -0.038 0.000 2.924 176 T HA 0.637 4.987 4.350 -0.000 0.000 0.291 176 T C -0.566 174.112 174.700 -0.037 0.000 1.045 176 T CA -0.657 61.420 62.100 -0.038 0.000 1.015 176 T CB 2.557 71.410 68.868 -0.025 0.000 1.103 176 T HN 0.444 nan 8.240 nan 0.000 0.496 177 V N -0.372 119.520 119.914 -0.036 0.000 2.680 177 V HA 0.869 4.989 4.120 -0.000 0.000 0.309 177 V C -0.979 175.103 176.094 -0.019 0.000 1.052 177 V CA -0.764 61.518 62.300 -0.030 0.000 0.908 177 V CB 1.765 33.566 31.823 -0.036 0.000 1.001 177 V HN 0.954 nan 8.190 nan 0.000 0.431 178 E N 1.766 121.957 120.200 -0.016 0.000 2.416 178 E HA 0.413 4.763 4.350 -0.000 0.000 0.273 178 E C -1.627 174.967 176.600 -0.010 0.000 0.935 178 E CA -1.040 55.353 56.400 -0.011 0.000 0.784 178 E CB 1.793 31.486 29.700 -0.012 0.000 1.301 178 E HN 0.788 nan 8.360 nan 0.000 0.454 179 D N 1.011 121.407 120.400 -0.007 0.000 2.443 179 D HA 0.151 4.790 4.640 -0.000 0.000 0.239 179 D C 0.251 176.547 176.300 -0.008 0.000 1.136 179 D CA 0.386 54.382 54.000 -0.006 0.000 0.879 179 D CB 0.908 41.705 40.800 -0.005 0.000 1.195 179 D HN 0.501 nan 8.370 nan 0.000 0.443 180 G N -0.405 108.391 108.800 -0.007 0.000 2.580 180 G HA2 0.265 4.225 3.960 -0.000 0.000 0.278 180 G HA3 0.265 4.225 3.960 -0.000 0.000 0.278 180 G C 1.022 175.918 174.900 -0.007 0.000 1.212 180 G CA -0.215 44.880 45.100 -0.007 0.000 0.939 180 G HN 0.447 nan 8.290 nan 0.000 0.513 181 T N -3.316 111.234 114.554 -0.007 0.000 3.113 181 T HA 0.424 4.774 4.350 -0.000 0.000 0.256 181 T C 1.030 175.726 174.700 -0.006 0.000 1.131 181 T CA 0.715 62.811 62.100 -0.007 0.000 1.074 181 T CB -0.094 68.770 68.868 -0.007 0.000 0.944 181 T HN 2.096 nan 8.240 nan 0.000 0.516 182 G N 1.598 110.395 108.800 -0.005 0.000 3.220 182 G HA2 0.313 4.273 3.960 -0.000 0.000 0.636 182 G HA3 0.313 4.273 3.960 -0.000 0.000 0.636 182 G C -0.746 174.151 174.900 -0.005 0.000 1.226 182 G CA -0.699 44.398 45.100 -0.005 0.000 1.177 182 G HN 0.752 nan 8.290 nan 0.000 0.527 183 L N 1.049 122.269 121.223 -0.004 0.000 1.712 183 L HA -0.171 4.169 4.340 -0.000 0.000 0.402 183 L C 0.282 177.150 176.870 -0.005 0.000 1.004 183 L CA 2.329 57.166 54.840 -0.004 0.000 1.208 183 L CB -0.571 41.486 42.059 -0.004 0.000 0.528 183 L HN 1.944 nan 8.230 nan 0.000 0.369 184 Q N 2.335 122.132 119.800 -0.005 0.000 3.001 184 Q HA -0.075 4.265 4.340 -0.000 0.000 0.109 184 Q C -0.545 175.452 176.000 -0.006 0.000 1.575 184 Q CA 0.853 56.653 55.803 -0.005 0.000 0.345 184 Q CB -0.132 28.603 28.738 -0.005 0.000 0.591 184 Q HN 0.688 nan 8.270 nan 0.000 0.321 185 D N 2.549 122.945 120.400 -0.007 0.000 2.371 185 D HA 0.283 4.923 4.640 -0.000 0.000 0.242 185 D C -0.003 176.292 176.300 -0.008 0.000 1.218 185 D CA 0.236 54.231 54.000 -0.008 0.000 0.945 185 D CB 0.691 41.486 40.800 -0.009 0.000 1.137 185 D HN 0.363 nan 8.370 nan 0.000 0.464 186 E N -0.233 119.961 120.200 -0.009 0.000 2.304 186 E HA 0.388 4.738 4.350 -0.000 0.000 0.277 186 E C -1.300 175.294 176.600 -0.010 0.000 0.898 186 E CA -0.754 55.641 56.400 -0.009 0.000 0.764 186 E CB 2.279 31.974 29.700 -0.009 0.000 1.216 186 E HN 0.071 nan 8.360 nan 0.000 0.419 187 L N 3.330 124.548 121.223 -0.010 0.000 2.319 187 L HA 0.531 4.871 4.340 -0.000 0.000 0.281 187 L C -1.628 175.237 176.870 -0.009 0.000 1.005 187 L CA -0.146 54.687 54.840 -0.010 0.000 0.828 187 L CB 1.046 43.099 42.059 -0.010 0.000 1.227 187 L HN 0.424 nan 8.230 nan 0.000 0.415 188 D N 4.258 124.652 120.400 -0.010 0.000 2.671 188 D HA 0.490 5.130 4.640 -0.000 0.000 0.232 188 D C -1.089 175.207 176.300 -0.008 0.000 1.114 188 D CA -0.267 53.728 54.000 -0.008 0.000 0.858 188 D CB 2.767 43.562 40.800 -0.008 0.000 1.544 188 D HN 0.254 nan 8.370 nan 0.000 0.471 189 V N 1.263 121.173 119.914 -0.006 0.000 2.417 189 V HA 0.500 4.620 4.120 -0.000 0.000 0.291 189 V C 0.482 176.574 176.094 -0.004 0.000 1.024 189 V CA -0.669 61.628 62.300 -0.005 0.000 0.861 189 V CB 1.406 33.226 31.823 -0.004 0.000 0.985 189 V HN 0.507 nan 8.190 nan 0.000 0.436 190 V N 1.369 121.281 119.914 -0.003 0.000 3.164 190 V HA 0.716 4.836 4.120 -0.000 0.000 0.313 190 V C -0.345 175.750 176.094 0.002 0.000 1.188 190 V CA -1.045 61.255 62.300 -0.002 0.000 1.058 190 V CB 2.129 33.951 31.823 -0.003 0.000 1.110 190 V HN 0.642 nan 8.190 nan 0.000 0.453 191 E N 1.285 121.487 120.200 0.003 0.000 2.299 191 E HA 0.625 4.975 4.350 -0.000 0.000 0.272 191 E C 0.190 176.796 176.600 0.011 0.000 1.043 191 E CA 0.829 57.233 56.400 0.006 0.000 0.895 191 E CB 0.814 30.517 29.700 0.006 0.000 1.011 191 E HN 1.181 nan 8.360 nan 0.000 0.432 192 G N 1.395 110.206 108.800 0.017 0.000 2.550 192 G HA2 0.617 4.577 3.960 -0.000 0.000 0.293 192 G HA3 0.617 4.577 3.960 -0.000 0.000 0.293 192 G C -1.212 173.712 174.900 0.041 0.000 1.402 192 G CA -0.602 44.515 45.100 0.028 0.000 0.784 192 G HN 0.405 nan 8.290 nan 0.000 0.482 193 M N -0.499 119.139 119.600 0.063 0.000 2.833 193 M HA 0.624 5.104 4.480 -0.000 0.000 0.270 193 M C -2.334 174.040 176.300 0.124 0.000 1.209 193 M CA -0.686 54.670 55.300 0.093 0.000 0.826 193 M CB 2.466 35.133 32.600 0.111 0.000 1.657 193 M HN 0.748 nan 8.290 nan 0.000 0.492 194 Q N 2.680 122.570 119.800 0.150 0.000 2.268 194 Q HA 0.603 4.943 4.340 -0.000 0.000 0.266 194 Q C -2.259 173.859 176.000 0.196 0.000 1.006 194 Q CA -0.658 55.206 55.803 0.101 0.000 0.824 194 Q CB 1.893 30.641 28.738 0.016 0.000 1.306 194 Q HN 0.566 nan 8.270 nan 0.000 0.424 195 F N -0.124 119.829 119.950 0.004 0.000 2.611 195 F HA 0.575 5.102 4.527 -0.000 0.000 0.324 195 F C -0.440 175.363 175.800 0.005 0.000 1.061 195 F CA -1.340 56.664 58.000 0.007 0.000 0.954 195 F CB 1.014 40.020 39.000 0.010 0.000 1.301 195 F HN 0.296 nan 8.300 nan 0.000 0.482 196 D N 2.771 123.262 120.400 0.151 0.000 2.608 196 D HA 0.205 4.845 4.640 -0.000 0.000 0.224 196 D C -0.332 176.001 176.300 0.055 0.000 1.123 196 D CA 0.267 54.293 54.000 0.043 0.000 1.030 196 D CB -0.088 40.752 40.800 0.066 0.000 1.093 196 D HN 0.286 nan 8.370 nan 0.000 0.497 197 R N 0.405 120.867 120.500 -0.064 0.000 2.510 197 R HA 0.458 4.798 4.340 -0.000 0.000 0.287 197 R C 0.248 176.455 176.300 -0.154 0.000 1.084 197 R CA -0.694 55.398 56.100 -0.013 0.000 0.934 197 R CB 1.957 32.385 30.300 0.212 0.000 1.201 197 R HN 0.232 nan 8.270 nan 0.000 0.431 198 G N 1.277 109.982 108.800 -0.159 0.000 2.537 198 G HA2 0.401 4.361 3.960 -0.000 0.000 0.297 198 G HA3 0.401 4.361 3.960 -0.000 0.000 0.297 198 G C -0.510 174.284 174.900 -0.177 0.000 1.310 198 G CA -0.490 44.425 45.100 -0.308 0.000 1.027 198 G HN 0.439 nan 8.290 nan 0.000 0.505 199 Y N -1.360 118.976 120.300 0.060 0.000 2.683 199 Y HA 0.234 4.784 4.550 -0.000 0.000 0.340 199 Y C 1.185 177.199 175.900 0.189 0.000 1.245 199 Y CA -1.074 57.120 58.100 0.156 0.000 1.485 199 Y CB 0.291 38.892 38.460 0.234 0.000 1.328 199 Y HN 0.183 nan 8.280 nan 0.000 0.603 200 L N 2.227 123.761 121.223 0.519 0.000 2.650 200 L HA 0.090 4.430 4.340 -0.000 0.000 0.235 200 L C 0.261 177.326 176.870 0.325 0.000 1.149 200 L CA 0.950 56.019 54.840 0.382 0.000 0.887 200 L CB -0.702 41.574 42.059 0.361 0.000 1.021 200 L HN 0.913 nan 8.230 nan 0.000 0.441 201 S N -3.329 112.590 115.700 0.365 0.000 2.751 201 S HA 0.237 4.707 4.470 -0.000 0.000 0.289 201 S C -2.925 171.492 174.600 -0.306 0.000 0.965 201 S CA -1.162 57.061 58.200 0.038 0.000 0.855 201 S CB 0.826 63.964 63.200 -0.103 0.000 1.068 201 S HN -0.251 nan 8.310 nan 0.000 0.462 202 P HA 0.434 nan 4.420 nan 0.000 0.335 202 P C 0.316 177.265 177.300 -0.585 0.000 1.379 202 P CA 0.607 63.215 63.100 -0.821 0.000 0.794 202 P CB -0.113 31.134 31.700 -0.756 0.000 1.849 203 Y N -4.862 115.243 120.300 -0.326 0.000 2.884 203 Y HA -0.297 4.253 4.550 -0.000 0.000 0.483 203 Y C 1.883 177.695 175.900 -0.147 0.000 1.209 203 Y CA 1.416 59.364 58.100 -0.253 0.000 2.681 203 Y CB -2.986 35.267 38.460 -0.346 0.000 0.894 203 Y HN 0.095 nan 8.280 nan 0.000 0.529 204 F N 0.377 120.319 119.950 -0.013 0.000 2.216 204 F HA -0.011 4.516 4.527 -0.000 0.000 0.300 204 F C 1.541 177.305 175.800 -0.061 0.000 1.085 204 F CA 0.526 58.513 58.000 -0.021 0.000 1.326 204 F CB -0.625 38.365 39.000 -0.017 0.000 1.027 204 F HN -0.023 nan 8.300 nan 0.000 0.497 205 I N 2.511 123.087 120.570 0.010 0.000 2.845 205 I HA -0.213 3.957 4.170 -0.000 0.000 0.290 205 I C 0.565 176.693 176.117 0.018 0.000 1.202 205 I CA 0.565 61.845 61.300 -0.034 0.000 1.406 205 I CB -0.031 37.876 38.000 -0.155 0.000 1.383 205 I HN 0.221 nan 8.210 nan 0.000 0.549 206 N N 5.389 124.113 118.700 0.039 0.000 2.200 206 N HA 0.103 4.843 4.740 -0.000 0.000 0.224 206 N C -0.217 175.308 175.510 0.026 0.000 1.179 206 N CA -0.272 52.800 53.050 0.037 0.000 0.877 206 N CB 0.544 39.059 38.487 0.046 0.000 1.072 206 N HN 0.403 nan 8.380 nan 0.000 0.519 207 K N 1.065 121.478 120.400 0.022 0.000 3.098 207 K HA 0.208 4.527 4.320 -0.000 0.000 0.170 207 K C -2.200 174.409 176.600 0.015 0.000 1.106 207 K CA -1.281 55.018 56.287 0.020 0.000 0.864 207 K CB 2.198 34.714 32.500 0.027 0.000 1.047 207 K HN -0.020 nan 8.250 nan 0.000 0.609 208 P HA -0.214 nan 4.420 nan 0.000 0.217 208 P C 0.479 177.779 177.300 0.001 0.000 1.148 208 P CA 1.455 64.551 63.100 -0.007 0.000 0.828 208 P CB 0.486 32.180 31.700 -0.011 0.000 0.783 209 E N -0.165 120.039 120.200 0.007 0.000 2.118 209 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 209 E C 1.672 178.280 176.600 0.012 0.000 0.992 209 E CA 1.878 58.283 56.400 0.008 0.000 0.804 209 E CB -1.231 28.476 29.700 0.011 0.000 0.741 209 E HN 0.323 nan 8.360 nan 0.000 0.458 210 T N -1.311 113.256 114.554 0.021 0.000 3.054 210 T HA 0.296 4.646 4.350 -0.000 0.000 0.255 210 T C 1.032 175.756 174.700 0.040 0.000 1.035 210 T CA 0.193 62.311 62.100 0.030 0.000 0.941 210 T CB 0.694 69.586 68.868 0.041 0.000 1.026 210 T HN 0.337 nan 8.240 nan 0.000 0.533 211 G N 1.922 110.744 108.800 0.035 0.000 2.338 211 G HA2 0.027 3.987 3.960 -0.000 0.000 0.296 211 G HA3 0.027 3.987 3.960 -0.000 0.000 0.296 211 G C 0.055 175.033 174.900 0.129 0.000 1.040 211 G CA 0.116 45.249 45.100 0.054 0.000 1.004 211 G HN 0.924 nan 8.290 nan 0.000 0.509 212 A N -1.184 121.697 122.820 0.102 0.000 2.469 212 A HA 0.907 5.227 4.320 -0.000 0.000 0.299 212 A C -0.269 177.382 177.584 0.113 0.000 1.098 212 A CA -0.407 51.713 52.037 0.139 0.000 0.737 212 A CB 2.142 21.196 19.000 0.089 0.000 1.312 212 A HN 1.207 nan 8.150 nan 0.000 0.414 213 V N 1.147 121.147 119.914 0.143 0.000 2.398 213 V HA 0.498 4.618 4.120 -0.000 0.000 0.286 213 V C -0.045 176.084 176.094 0.059 0.000 1.026 213 V CA -0.294 62.069 62.300 0.105 0.000 0.868 213 V CB 1.219 33.127 31.823 0.141 0.000 0.982 213 V HN 0.908 nan 8.190 nan 0.000 0.443 214 E N 4.868 125.091 120.200 0.039 0.000 2.220 214 E HA 0.548 4.898 4.350 -0.000 0.000 0.256 214 E C -1.549 175.057 176.600 0.009 0.000 0.881 214 E CA -0.519 55.893 56.400 0.020 0.000 0.766 214 E CB 1.313 31.024 29.700 0.018 0.000 1.187 214 E HN 0.629 nan 8.360 nan 0.000 0.419 215 L N 3.447 124.669 121.223 -0.002 0.000 2.317 215 L HA 0.493 4.833 4.340 -0.000 0.000 0.281 215 L C -0.131 176.727 176.870 -0.020 0.000 1.024 215 L CA -0.763 54.070 54.840 -0.011 0.000 0.810 215 L CB 1.702 43.751 42.059 -0.018 0.000 1.240 215 L HN 0.472 nan 8.230 nan 0.000 0.427 216 E N 1.424 121.608 120.200 -0.027 0.000 2.158 216 E HA 0.297 4.647 4.350 -0.000 0.000 0.271 216 E C -0.437 176.123 176.600 -0.066 0.000 0.911 216 E CA -0.527 55.850 56.400 -0.038 0.000 0.767 216 E CB 1.566 31.248 29.700 -0.029 0.000 1.120 216 E HN 0.616 nan 8.360 nan 0.000 0.405 217 S N 1.987 117.638 115.700 -0.082 0.000 3.628 217 S HA -0.124 4.346 4.470 -0.000 0.000 0.373 217 S C -2.179 172.299 174.600 -0.202 0.000 0.968 217 S CA 0.301 58.419 58.200 -0.136 0.000 1.215 217 S CB -1.406 61.711 63.200 -0.138 0.000 0.912 217 S HN 0.502 nan 8.310 nan 0.000 0.495 218 P HA 0.558 nan 4.420 nan 0.000 0.282 218 P C -0.016 177.193 177.300 -0.152 0.000 1.259 218 P CA -0.660 62.362 63.100 -0.129 0.000 0.826 218 P CB 0.608 32.285 31.700 -0.038 0.000 1.064 219 F N 0.746 120.694 119.950 -0.002 0.000 2.368 219 F HA 0.434 4.961 4.527 -0.000 0.000 0.315 219 F C 0.949 176.750 175.800 0.000 0.000 1.145 219 F CA -0.163 57.836 58.000 -0.000 0.000 1.095 219 F CB 0.511 39.509 39.000 -0.002 0.000 1.286 219 F HN 0.072 nan 8.300 nan 0.000 0.530 220 I N 2.956 123.669 120.570 0.238 0.000 2.500 220 I HA 0.213 4.383 4.170 -0.000 0.000 0.286 220 I C -1.529 174.640 176.117 0.088 0.000 1.063 220 I CA -0.830 60.546 61.300 0.126 0.000 1.062 220 I CB 1.919 39.975 38.000 0.094 0.000 1.223 220 I HN 0.210 nan 8.210 nan 0.000 0.435 221 L N 8.221 129.479 121.223 0.059 0.000 2.257 221 L HA 0.532 4.872 4.340 -0.000 0.000 0.290 221 L C -1.116 175.767 176.870 0.021 0.000 1.044 221 L CA 0.014 54.871 54.840 0.027 0.000 0.810 221 L CB 0.841 42.908 42.059 0.014 0.000 1.193 221 L HN 0.454 nan 8.230 nan 0.000 0.425 222 L N 6.434 127.662 121.223 0.009 0.000 2.277 222 L HA 0.741 5.080 4.340 -0.000 0.000 0.284 222 L C -0.066 176.801 176.870 -0.005 0.000 1.028 222 L CA -0.441 54.397 54.840 -0.002 0.000 0.835 222 L CB 1.199 43.249 42.059 -0.014 0.000 1.215 222 L HN 0.807 nan 8.230 nan 0.000 0.425 223 A N 1.738 124.558 122.820 -0.000 0.000 2.311 223 A HA 0.356 4.676 4.320 -0.000 0.000 0.306 223 A C -0.441 177.144 177.584 0.002 0.000 1.189 223 A CA -0.536 51.502 52.037 0.002 0.000 0.791 223 A CB 0.899 19.904 19.000 0.009 0.000 1.172 223 A HN 0.688 nan 8.150 nan 0.000 0.481 224 D N 2.596 122.995 120.400 -0.003 0.000 2.801 224 D HA 0.311 4.950 4.640 -0.000 0.000 0.232 224 D C 0.213 176.517 176.300 0.007 0.000 1.128 224 D CA 0.414 54.413 54.000 -0.002 0.000 1.003 224 D CB -0.560 40.235 40.800 -0.009 0.000 1.110 224 D HN 0.626 nan 8.370 nan 0.000 0.477 225 K N -1.009 119.400 120.400 0.015 0.000 2.680 225 K HA 0.365 4.685 4.320 -0.000 0.000 0.295 225 K C -1.211 175.405 176.600 0.027 0.000 1.052 225 K CA -1.204 55.095 56.287 0.019 0.000 0.863 225 K CB 0.826 33.335 32.500 0.015 0.000 1.549 225 K HN -0.193 nan 8.250 nan 0.000 0.391 226 K N 1.071 121.489 120.400 0.029 0.000 2.156 226 K HA 0.454 4.774 4.320 -0.000 0.000 0.271 226 K C -0.627 175.992 176.600 0.033 0.000 0.995 226 K CA -0.621 55.687 56.287 0.035 0.000 0.890 226 K CB 1.191 33.713 32.500 0.035 0.000 1.073 226 K HN 0.376 nan 8.250 nan 0.000 0.454 227 I N 2.228 122.821 120.570 0.039 0.000 2.312 227 I HA 0.072 4.242 4.170 -0.000 0.000 0.290 227 I C 0.517 176.656 176.117 0.037 0.000 1.008 227 I CA -0.019 61.303 61.300 0.036 0.000 1.226 227 I CB 1.658 39.682 38.000 0.040 0.000 1.371 227 I HN 0.692 nan 8.210 nan 0.000 0.468 228 S N 3.557 119.275 115.700 0.029 0.000 2.655 228 S HA 0.073 4.543 4.470 -0.000 0.000 0.231 228 S C 0.840 175.454 174.600 0.023 0.000 1.044 228 S CA 0.060 58.276 58.200 0.027 0.000 0.910 228 S CB 0.126 63.339 63.200 0.022 0.000 0.833 228 S HN 0.642 nan 8.310 nan 0.000 0.581 229 N N 2.191 120.903 118.700 0.019 0.000 2.439 229 N HA 0.203 4.943 4.740 -0.000 0.000 0.243 229 N C 0.259 175.779 175.510 0.017 0.000 1.088 229 N CA -0.015 53.045 53.050 0.016 0.000 0.940 229 N CB 0.495 38.989 38.487 0.012 0.000 1.180 229 N HN 0.297 nan 8.380 nan 0.000 0.505 230 I N 3.228 123.810 120.570 0.020 0.000 3.164 230 I HA -0.177 3.992 4.170 -0.000 0.000 0.278 230 I C 1.935 178.061 176.117 0.015 0.000 1.320 230 I CA 0.506 61.819 61.300 0.022 0.000 1.422 230 I CB 0.113 38.129 38.000 0.026 0.000 1.066 230 I HN 0.444 nan 8.210 nan 0.000 0.503 231 R N 0.945 121.452 120.500 0.011 0.000 2.073 231 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 231 R C 1.998 178.301 176.300 0.005 0.000 1.134 231 R CA 1.651 57.755 56.100 0.007 0.000 0.952 231 R CB -0.215 30.088 30.300 0.005 0.000 0.850 231 R HN 0.418 nan 8.270 nan 0.000 0.433 232 E N -0.547 119.656 120.200 0.006 0.000 2.147 232 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 232 E C 1.799 178.399 176.600 0.000 0.000 1.005 232 E CA 1.467 57.869 56.400 0.003 0.000 0.810 232 E CB -0.080 29.624 29.700 0.006 0.000 0.736 232 E HN 0.302 nan 8.360 nan 0.000 0.460 233 M N 0.041 119.644 119.600 0.004 0.000 2.156 233 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 233 M C 2.399 178.697 176.300 -0.004 0.000 1.067 233 M CA 0.998 56.299 55.300 0.002 0.000 1.131 233 M CB -0.902 31.706 32.600 0.012 0.000 1.368 233 M HN 0.163 nan 8.290 nan 0.000 0.416 234 L N 0.507 121.730 121.223 -0.000 0.000 2.064 234 L HA -0.302 4.038 4.340 -0.000 0.000 0.234 234 L C -0.207 176.657 176.870 -0.010 0.000 1.103 234 L CA 2.299 57.137 54.840 -0.002 0.000 0.824 234 L CB -2.839 39.220 42.059 -0.001 0.000 0.919 234 L HN 0.198 nan 8.230 nan 0.000 0.447 235 P HA -0.155 nan 4.420 nan 0.000 0.216 235 P C 1.767 179.047 177.300 -0.035 0.000 1.153 235 P CA 1.866 64.953 63.100 -0.022 0.000 0.858 235 P CB -0.063 31.625 31.700 -0.021 0.000 0.789 236 V N 0.123 120.014 119.914 -0.039 0.000 2.379 236 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 236 V C 2.906 178.966 176.094 -0.058 0.000 1.044 236 V CA 1.309 63.572 62.300 -0.062 0.000 1.036 236 V CB -1.333 30.454 31.823 -0.059 0.000 0.664 236 V HN -0.021 nan 8.190 nan 0.000 0.453 237 L N 0.076 121.283 121.223 -0.028 0.000 2.083 237 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 237 L C 2.655 179.520 176.870 -0.008 0.000 1.083 237 L CA 1.934 56.768 54.840 -0.010 0.000 0.752 237 L CB -0.498 41.564 42.059 0.006 0.000 0.899 237 L HN 0.449 nan 8.230 nan 0.000 0.433 238 E N 0.229 120.421 120.200 -0.013 0.000 2.110 238 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 238 E C 2.212 178.803 176.600 -0.015 0.000 0.988 238 E CA 1.091 57.485 56.400 -0.009 0.000 0.804 238 E CB 0.052 29.746 29.700 -0.010 0.000 0.745 238 E HN 0.475 nan 8.360 nan 0.000 0.458 239 A N 0.455 123.251 122.820 -0.040 0.000 1.902 239 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 239 A C 2.343 179.894 177.584 -0.056 0.000 1.181 239 A CA 1.379 53.379 52.037 -0.062 0.000 0.623 239 A CB -0.523 18.410 19.000 -0.113 0.000 0.818 239 A HN 0.221 nan 8.150 nan 0.000 0.443 240 V N -0.196 119.683 119.914 -0.058 0.000 2.667 240 V HA -0.153 3.967 4.120 -0.000 0.000 0.252 240 V C 2.941 179.083 176.094 0.080 0.000 1.065 240 V CA 1.431 63.746 62.300 0.025 0.000 1.083 240 V CB -1.148 30.700 31.823 0.041 0.000 0.692 240 V HN 0.614 nan 8.190 nan 0.000 0.468 241 A N 0.062 122.906 122.820 0.040 0.000 1.851 241 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 241 A C 1.595 179.207 177.584 0.048 0.000 1.195 241 A CA 1.337 53.398 52.037 0.041 0.000 0.622 241 A CB -0.300 18.714 19.000 0.023 0.000 0.831 241 A HN 0.539 nan 8.150 nan 0.000 0.444 242 K N -2.758 117.666 120.400 0.039 0.000 2.202 242 K HA 0.380 4.700 4.320 -0.000 0.000 0.238 242 K C 1.137 177.783 176.600 0.076 0.000 1.070 242 K CA 0.252 56.565 56.287 0.043 0.000 0.859 242 K CB 0.006 32.524 32.500 0.029 0.000 1.140 242 K HN 0.873 nan 8.250 nan 0.000 0.515 243 A N -0.158 122.710 122.820 0.079 0.000 4.287 243 A HA -0.220 4.100 4.320 -0.000 0.000 0.258 243 A C 1.194 178.836 177.584 0.096 0.000 0.811 243 A CA 1.721 53.828 52.037 0.118 0.000 1.245 243 A CB -2.503 16.637 19.000 0.232 0.000 1.055 243 A HN 1.480 nan 8.150 nan 0.000 0.763 244 G N -0.655 108.196 108.800 0.084 0.000 2.371 244 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.299 244 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.299 244 G C -0.133 174.796 174.900 0.049 0.000 1.014 244 G CA 1.520 46.654 45.100 0.058 0.000 1.097 244 G HN 1.150 nan 8.290 nan 0.000 0.512 245 K N 0.438 120.890 120.400 0.086 0.000 2.318 245 K HA 0.544 4.864 4.320 -0.000 0.000 0.249 245 K C -2.281 174.365 176.600 0.076 0.000 0.942 245 K CA -2.062 54.242 56.287 0.030 0.000 0.808 245 K CB 2.906 35.352 32.500 -0.090 0.000 1.189 245 K HN 0.090 nan 8.250 nan 0.000 0.428 246 P HA 0.160 nan 4.420 nan 0.000 0.274 246 P C -1.234 176.113 177.300 0.079 0.000 1.237 246 P CA -0.582 62.541 63.100 0.038 0.000 0.793 246 P CB 0.807 32.508 31.700 0.002 0.000 0.977 247 L N 2.310 123.574 121.223 0.067 0.000 2.385 247 L HA 0.528 4.868 4.340 -0.000 0.000 0.273 247 L C -1.381 175.497 176.870 0.012 0.000 0.990 247 L CA -1.002 53.890 54.840 0.086 0.000 0.821 247 L CB 1.594 43.707 42.059 0.091 0.000 1.279 247 L HN 0.175 nan 8.230 nan 0.000 0.412 248 L N 6.151 127.391 121.223 0.028 0.000 2.287 248 L HA 0.601 4.941 4.340 -0.000 0.000 0.287 248 L C -1.130 175.749 176.870 0.015 0.000 1.022 248 L CA -0.148 54.688 54.840 -0.006 0.000 0.814 248 L CB 1.009 43.082 42.059 0.024 0.000 1.217 248 L HN 0.452 nan 8.230 nan 0.000 0.420 249 I N 7.096 127.657 120.570 -0.014 0.000 2.304 249 I HA 0.277 4.447 4.170 -0.000 0.000 0.291 249 I C -0.084 176.059 176.117 0.043 0.000 1.018 249 I CA -0.137 61.172 61.300 0.015 0.000 1.260 249 I CB 1.040 39.046 38.000 0.010 0.000 1.390 249 I HN 0.589 nan 8.210 nan 0.000 0.475 250 I N 6.247 126.849 120.570 0.053 0.000 2.460 250 I HA 0.473 4.643 4.170 -0.000 0.000 0.277 250 I C 0.327 176.469 176.117 0.040 0.000 1.057 250 I CA -0.204 61.136 61.300 0.067 0.000 1.179 250 I CB 1.085 39.117 38.000 0.053 0.000 1.329 250 I HN 0.619 nan 8.210 nan 0.000 0.478 251 A N 4.108 126.960 122.820 0.054 0.000 2.387 251 A HA 0.455 4.775 4.320 -0.000 0.000 0.298 251 A C 0.900 178.514 177.584 0.050 0.000 1.165 251 A CA -0.525 51.537 52.037 0.043 0.000 0.814 251 A CB 1.306 20.333 19.000 0.046 0.000 1.357 251 A HN 0.680 nan 8.150 nan 0.000 0.443 252 E N -0.796 119.430 120.200 0.043 0.000 2.204 252 E HA -0.067 4.283 4.350 -0.000 0.000 0.195 252 E C -0.483 176.154 176.600 0.062 0.000 0.990 252 E CA 1.443 57.872 56.400 0.049 0.000 0.821 252 E CB 0.140 29.865 29.700 0.042 0.000 0.750 252 E HN 0.641 nan 8.360 nan 0.000 0.477 253 D N -2.268 118.170 120.400 0.064 0.000 3.020 253 D HA 0.026 4.666 4.640 -0.000 0.000 0.268 253 D C -1.981 174.364 176.300 0.073 0.000 1.078 253 D CA -0.459 53.586 54.000 0.074 0.000 0.725 253 D CB 1.043 41.882 40.800 0.065 0.000 1.639 253 D HN -0.140 nan 8.370 nan 0.000 0.455 254 V N 2.826 122.794 119.914 0.090 0.000 2.376 254 V HA 0.415 4.535 4.120 -0.000 0.000 0.287 254 V C 0.291 176.436 176.094 0.086 0.000 1.015 254 V CA -0.686 61.669 62.300 0.092 0.000 0.834 254 V CB 1.316 33.214 31.823 0.126 0.000 1.001 254 V HN 0.476 nan 8.190 nan 0.000 0.428 255 E N 2.615 122.854 120.200 0.065 0.000 2.392 255 E HA 0.288 4.638 4.350 -0.000 0.000 0.259 255 E C 1.434 178.063 176.600 0.049 0.000 1.108 255 E CA 0.402 56.834 56.400 0.053 0.000 0.916 255 E CB 1.116 30.840 29.700 0.040 0.000 0.989 255 E HN 0.766 nan 8.360 nan 0.000 0.432 256 G N 1.938 110.761 108.800 0.038 0.000 2.853 256 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.234 256 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.234 256 G C 1.370 176.280 174.900 0.018 0.000 1.198 256 G CA 1.741 46.857 45.100 0.026 0.000 0.767 256 G HN 0.645 nan 8.290 nan 0.000 0.657 257 E N 0.721 120.930 120.200 0.014 0.000 2.058 257 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 257 E C 2.847 179.457 176.600 0.016 0.000 0.997 257 E CA 1.847 58.252 56.400 0.008 0.000 0.801 257 E CB -0.749 28.955 29.700 0.007 0.000 0.746 257 E HN 0.416 nan 8.360 nan 0.000 0.450 258 A N 0.385 123.223 122.820 0.030 0.000 1.865 258 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 258 A C 2.246 179.867 177.584 0.062 0.000 1.191 258 A CA 1.737 53.800 52.037 0.043 0.000 0.623 258 A CB -0.998 18.032 19.000 0.050 0.000 0.826 258 A HN 0.385 nan 8.150 nan 0.000 0.444 259 L N -0.321 120.946 121.223 0.073 0.000 2.042 259 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 259 L C 2.745 179.637 176.870 0.037 0.000 1.076 259 L CA 2.171 57.072 54.840 0.102 0.000 0.749 259 L CB -0.751 41.363 42.059 0.092 0.000 0.893 259 L HN 0.385 nan 8.230 nan 0.000 0.432 260 A N -1.692 121.124 122.820 -0.006 0.000 1.883 260 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 260 A C 2.272 179.831 177.584 -0.040 0.000 1.186 260 A CA 2.410 54.412 52.037 -0.058 0.000 0.624 260 A CB -1.245 17.724 19.000 -0.053 0.000 0.822 260 A HN 0.504 nan 8.150 nan 0.000 0.444 261 T N 0.662 115.215 114.554 -0.002 0.000 2.684 261 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 261 T C 1.828 176.550 174.700 0.036 0.000 1.036 261 T CA 1.570 63.676 62.100 0.010 0.000 1.148 261 T CB -0.472 68.409 68.868 0.021 0.000 0.863 261 T HN 0.375 nan 8.240 nan 0.000 0.436 262 L N 0.580 121.853 121.223 0.084 0.000 1.989 262 L HA -0.130 4.210 4.340 -0.000 0.000 0.211 262 L C 2.724 179.696 176.870 0.170 0.000 1.071 262 L CA 1.114 56.048 54.840 0.156 0.000 0.749 262 L CB -0.896 41.325 42.059 0.271 0.000 0.890 262 L HN 0.140 nan 8.230 nan 0.000 0.431 263 V N -0.513 119.459 119.914 0.096 0.000 2.252 263 V HA -0.298 3.821 4.120 -0.000 0.000 0.249 263 V C 2.454 178.529 176.094 -0.032 0.000 1.056 263 V CA 1.858 64.145 62.300 -0.022 0.000 1.022 263 V CB -0.395 31.267 31.823 -0.269 0.000 0.641 263 V HN 0.188 nan 8.190 nan 0.000 0.445 264 V N 0.422 120.297 119.914 -0.065 0.000 2.231 264 V HA -0.379 3.741 4.120 -0.000 0.000 0.248 264 V C 2.108 178.195 176.094 -0.012 0.000 1.054 264 V CA 2.836 65.102 62.300 -0.057 0.000 1.015 264 V CB -1.069 30.721 31.823 -0.055 0.000 0.638 264 V HN 0.634 nan 8.190 nan 0.000 0.444 265 N N -0.046 118.661 118.700 0.011 0.000 2.104 265 N HA -0.185 4.555 4.740 -0.000 0.000 0.190 265 N C 1.867 177.400 175.510 0.038 0.000 1.024 265 N CA 1.815 54.879 53.050 0.024 0.000 0.853 265 N CB -0.251 38.254 38.487 0.030 0.000 1.008 265 N HN 0.730 nan 8.380 nan 0.000 0.424 266 T N -1.356 113.237 114.554 0.065 0.000 2.995 266 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 266 T C 1.654 176.391 174.700 0.061 0.000 1.091 266 T CA 0.611 62.757 62.100 0.076 0.000 1.128 266 T CB -0.087 68.857 68.868 0.126 0.000 0.891 266 T HN 0.136 nan 8.240 nan 0.000 0.492 267 M N 0.232 119.859 119.600 0.045 0.000 2.562 267 M HA 0.237 4.717 4.480 -0.000 0.000 0.257 267 M C 1.830 178.138 176.300 0.014 0.000 1.099 267 M CA 0.694 56.010 55.300 0.026 0.000 1.099 267 M CB 0.065 32.663 32.600 -0.002 0.000 1.427 267 M HN 0.135 nan 8.290 nan 0.000 0.489 268 R N -1.007 119.501 120.500 0.014 0.000 2.362 268 R HA 0.249 4.589 4.340 -0.000 0.000 0.227 268 R C 1.170 177.478 176.300 0.013 0.000 0.905 268 R CA 0.557 56.662 56.100 0.008 0.000 1.067 268 R CB 0.401 30.703 30.300 0.003 0.000 1.078 268 R HN 0.530 nan 8.270 nan 0.000 0.516 269 G N 1.463 110.276 108.800 0.021 0.000 2.268 269 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.240 269 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.240 269 G C 0.265 175.179 174.900 0.024 0.000 1.010 269 G CA -0.321 44.792 45.100 0.021 0.000 0.618 269 G HN 0.236 nan 8.290 nan 0.000 0.516 270 I N 2.137 122.721 120.570 0.023 0.000 2.308 270 I HA 0.437 4.607 4.170 -0.000 0.000 0.293 270 I C 0.706 176.842 176.117 0.032 0.000 1.078 270 I CA -0.551 60.764 61.300 0.024 0.000 1.292 270 I CB 0.835 38.847 38.000 0.019 0.000 1.423 270 I HN 0.203 nan 8.210 nan 0.000 0.493 271 V N 5.278 125.214 119.914 0.037 0.000 3.480 271 V HA -0.222 3.898 4.120 -0.000 0.000 0.494 271 V C 0.078 176.202 176.094 0.050 0.000 0.682 271 V CA 0.314 62.641 62.300 0.045 0.000 2.039 271 V CB -0.972 30.875 31.823 0.042 0.000 2.474 271 V HN 0.812 nan 8.190 nan 0.000 0.505 272 K N 3.939 124.369 120.400 0.049 0.000 2.253 272 K HA 0.715 5.035 4.320 -0.000 0.000 0.277 272 K C -0.417 176.201 176.600 0.029 0.000 1.053 272 K CA -0.524 55.791 56.287 0.047 0.000 0.892 272 K CB 1.866 34.388 32.500 0.037 0.000 1.102 272 K HN 0.512 nan 8.250 nan 0.000 0.469 273 V N 1.296 121.222 119.914 0.021 0.000 3.001 273 V HA 0.805 4.924 4.120 -0.000 0.000 0.314 273 V C -0.825 175.093 176.094 -0.292 0.000 1.099 273 V CA -1.020 61.244 62.300 -0.059 0.000 0.989 273 V CB 1.931 33.754 31.823 -0.000 0.000 1.040 273 V HN 0.850 nan 8.190 nan 0.000 0.434 274 A N 1.849 124.371 122.820 -0.497 0.000 2.488 274 A HA 0.963 5.283 4.320 -0.000 0.000 0.295 274 A C -0.750 176.461 177.584 -0.622 0.000 1.045 274 A CA -0.016 51.379 52.037 -1.069 0.000 0.703 274 A CB 1.709 20.367 19.000 -0.569 0.000 1.271 274 A HN 1.695 nan 8.150 nan 0.000 0.400 275 A N 0.930 123.376 122.820 -0.622 0.000 2.413 275 A HA 0.958 5.278 4.320 -0.000 0.000 0.307 275 A C -0.359 177.262 177.584 0.063 0.000 1.087 275 A CA -0.114 51.861 52.037 -0.104 0.000 0.750 275 A CB 1.554 20.585 19.000 0.052 0.000 1.296 275 A HN 2.395 nan 8.150 nan 0.000 0.423 276 V N -1.361 118.616 119.914 0.106 0.000 3.120 276 V HA 0.606 4.726 4.120 -0.000 0.000 0.303 276 V C -0.685 175.508 176.094 0.164 0.000 1.238 276 V CA -1.233 61.158 62.300 0.152 0.000 1.008 276 V CB 1.435 33.344 31.823 0.144 0.000 1.064 276 V HN 0.904 nan 8.190 nan 0.000 0.434 277 K N 1.853 122.351 120.400 0.164 0.000 2.219 277 K HA 0.667 4.987 4.320 -0.000 0.000 0.258 277 K C 0.462 177.162 176.600 0.167 0.000 1.008 277 K CA 0.313 56.686 56.287 0.144 0.000 0.928 277 K CB 1.154 33.729 32.500 0.124 0.000 0.983 277 K HN 1.161 nan 8.250 nan 0.000 0.484 278 A N 3.685 126.560 122.820 0.091 0.000 2.445 278 A HA 0.209 4.529 4.320 -0.000 0.000 0.242 278 A C -2.032 175.569 177.584 0.028 0.000 1.075 278 A CA -1.156 50.886 52.037 0.008 0.000 0.777 278 A CB -0.364 18.622 19.000 -0.022 0.000 1.013 278 A HN 0.470 nan 8.150 nan 0.000 0.493 279 P HA 0.322 nan 4.420 nan 0.000 0.269 279 P C 0.739 178.062 177.300 0.037 0.000 1.209 279 P CA 1.438 64.546 63.100 0.014 0.000 0.776 279 P CB 0.472 32.061 31.700 -0.185 0.000 0.876 280 G N 2.071 110.944 108.800 0.122 0.000 2.749 280 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.242 280 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.242 280 G C -0.651 174.393 174.900 0.241 0.000 1.364 280 G CA 0.183 45.384 45.100 0.168 0.000 0.888 280 G HN 0.760 nan 8.290 nan 0.000 0.566 281 F N -2.724 117.242 119.950 0.027 0.000 2.726 281 F HA 0.831 5.358 4.527 -0.000 0.000 0.324 281 F C 1.106 176.921 175.800 0.025 0.000 1.140 281 F CA 0.206 58.221 58.000 0.025 0.000 0.964 281 F CB 0.816 39.835 39.000 0.032 0.000 1.399 281 F HN 2.427 nan 8.300 nan 0.000 0.491 282 G N 1.085 109.863 108.800 -0.036 0.000 2.583 282 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.292 282 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.292 282 G C 0.283 175.099 174.900 -0.141 0.000 1.203 282 G CA 0.700 45.716 45.100 -0.140 0.000 0.987 282 G HN 0.860 nan 8.290 nan 0.000 0.554 283 D N 1.018 121.316 120.400 -0.170 0.000 2.183 283 D HA -0.024 4.616 4.640 -0.000 0.000 0.205 283 D C 2.487 178.708 176.300 -0.131 0.000 0.962 283 D CA 1.278 55.210 54.000 -0.114 0.000 0.849 283 D CB -0.210 40.539 40.800 -0.085 0.000 0.978 283 D HN 0.690 nan 8.370 nan 0.000 0.488 284 R N 1.162 121.548 120.500 -0.189 0.000 2.341 284 R HA 0.010 4.350 4.340 -0.000 0.000 0.213 284 R C 2.009 178.227 176.300 -0.137 0.000 1.082 284 R CA 0.637 56.639 56.100 -0.163 0.000 1.017 284 R CB -0.229 29.954 30.300 -0.193 0.000 0.860 284 R HN 0.065 nan 8.270 nan 0.000 0.473 285 R N 1.693 122.114 120.500 -0.132 0.000 2.057 285 R HA 0.006 4.346 4.340 -0.000 0.000 0.224 285 R C 1.457 177.711 176.300 -0.077 0.000 1.136 285 R CA 1.102 57.151 56.100 -0.085 0.000 0.968 285 R CB 0.024 30.300 30.300 -0.041 0.000 0.863 285 R HN 0.188 nan 8.270 nan 0.000 0.433 286 K N 0.343 120.703 120.400 -0.066 0.000 2.103 286 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 286 K C 2.075 178.637 176.600 -0.063 0.000 1.048 286 K CA 1.482 57.736 56.287 -0.055 0.000 0.930 286 K CB -0.124 32.350 32.500 -0.043 0.000 0.716 286 K HN 0.232 nan 8.250 nan 0.000 0.444 287 A N 1.438 124.215 122.820 -0.071 0.000 1.855 287 A HA -0.143 4.176 4.320 -0.000 0.000 0.215 287 A C 2.162 179.699 177.584 -0.080 0.000 1.191 287 A CA 1.440 53.435 52.037 -0.070 0.000 0.613 287 A CB -0.462 18.494 19.000 -0.073 0.000 0.829 287 A HN 0.156 nan 8.150 nan 0.000 0.442 288 M N -0.719 118.823 119.600 -0.096 0.000 2.213 288 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 288 M C 2.195 178.407 176.300 -0.146 0.000 1.062 288 M CA 1.187 56.415 55.300 -0.120 0.000 1.105 288 M CB -0.451 32.067 32.600 -0.137 0.000 1.385 288 M HN 0.423 nan 8.290 nan 0.000 0.417 289 L N 0.063 121.207 121.223 -0.132 0.000 2.083 289 L HA -0.263 4.077 4.340 -0.000 0.000 0.209 289 L C 2.653 179.466 176.870 -0.095 0.000 1.083 289 L CA 1.423 56.186 54.840 -0.129 0.000 0.752 289 L CB -0.267 41.738 42.059 -0.090 0.000 0.899 289 L HN 0.329 nan 8.230 nan 0.000 0.433 290 Q N 0.120 119.876 119.800 -0.074 0.000 2.079 290 Q HA -0.210 4.129 4.340 -0.000 0.000 0.200 290 Q C 1.669 177.638 176.000 -0.052 0.000 0.974 290 Q CA 1.862 57.633 55.803 -0.054 0.000 0.840 290 Q CB -0.135 28.576 28.738 -0.045 0.000 0.898 290 Q HN 0.407 nan 8.270 nan 0.000 0.430 291 D N 0.063 120.425 120.400 -0.063 0.000 2.116 291 D HA -0.191 4.449 4.640 -0.000 0.000 0.193 291 D C 1.875 178.146 176.300 -0.049 0.000 0.998 291 D CA 1.623 55.591 54.000 -0.053 0.000 0.836 291 D CB -0.304 40.460 40.800 -0.060 0.000 0.951 291 D HN 0.388 nan 8.370 nan 0.000 0.449 292 I N 1.039 121.564 120.570 -0.075 0.000 2.264 292 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 292 I C 2.483 178.583 176.117 -0.028 0.000 1.111 292 I CA 0.999 62.263 61.300 -0.060 0.000 1.382 292 I CB -0.295 37.633 38.000 -0.120 0.000 1.060 292 I HN -0.064 nan 8.210 nan 0.000 0.418 293 A N 0.723 123.523 122.820 -0.034 0.000 1.858 293 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 293 A C 2.415 179.995 177.584 -0.007 0.000 1.190 293 A CA 2.561 54.589 52.037 -0.015 0.000 0.617 293 A CB -1.187 17.800 19.000 -0.020 0.000 0.827 293 A HN 0.370 nan 8.150 nan 0.000 0.443 294 T N 0.458 115.004 114.554 -0.013 0.000 2.720 294 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 294 T C 1.814 176.513 174.700 -0.001 0.000 1.037 294 T CA 1.274 63.369 62.100 -0.007 0.000 1.144 294 T CB -0.299 68.561 68.868 -0.012 0.000 0.864 294 T HN 0.294 nan 8.240 nan 0.000 0.444 295 L N 1.972 123.194 121.223 -0.002 0.000 2.141 295 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 295 L C 2.153 179.031 176.870 0.013 0.000 1.094 295 L CA 2.146 56.990 54.840 0.005 0.000 0.763 295 L CB -1.202 40.862 42.059 0.008 0.000 0.908 295 L HN 0.450 nan 8.230 nan 0.000 0.437 296 T N -4.447 110.117 114.554 0.017 0.000 3.054 296 T HA 0.291 4.641 4.350 -0.000 0.000 0.255 296 T C 1.230 175.948 174.700 0.031 0.000 1.035 296 T CA 0.333 62.448 62.100 0.026 0.000 0.941 296 T CB 0.080 68.971 68.868 0.037 0.000 1.026 296 T HN 0.487 nan 8.240 nan 0.000 0.533 297 G N 0.588 109.401 108.800 0.022 0.000 2.221 297 G HA2 0.008 3.968 3.960 -0.000 0.000 0.265 297 G HA3 0.008 3.968 3.960 -0.000 0.000 0.265 297 G C 0.329 175.248 174.900 0.031 0.000 1.041 297 G CA -0.167 44.947 45.100 0.024 0.000 0.807 297 G HN 1.049 nan 8.290 nan 0.000 0.502 298 G N -1.671 107.145 108.800 0.027 0.000 2.552 298 G HA2 0.741 4.701 3.960 -0.000 0.000 0.324 298 G HA3 0.741 4.701 3.960 -0.000 0.000 0.324 298 G C -0.416 174.489 174.900 0.009 0.000 1.217 298 G CA 0.109 45.225 45.100 0.026 0.000 0.989 298 G HN 0.577 nan 8.290 nan 0.000 0.490 299 T N 0.539 115.095 114.554 0.003 0.000 2.786 299 T HA 0.405 4.755 4.350 -0.000 0.000 0.283 299 T C 0.197 174.892 174.700 -0.009 0.000 0.992 299 T CA -0.267 61.830 62.100 -0.005 0.000 0.954 299 T CB 1.550 70.413 68.868 -0.008 0.000 0.934 299 T HN 0.340 nan 8.240 nan 0.000 0.440 300 V N 4.843 124.749 119.914 -0.013 0.000 2.655 300 V HA 0.205 4.325 4.120 -0.000 0.000 0.300 300 V C 0.390 176.476 176.094 -0.014 0.000 1.044 300 V CA -0.080 62.210 62.300 -0.016 0.000 1.095 300 V CB 0.288 32.097 31.823 -0.023 0.000 0.952 300 V HN 0.769 nan 8.190 nan 0.000 0.485 301 I N 5.165 125.727 120.570 -0.012 0.000 2.388 301 I HA 0.292 4.462 4.170 -0.000 0.000 0.281 301 I C 0.249 176.361 176.117 -0.008 0.000 1.046 301 I CA 0.059 61.353 61.300 -0.010 0.000 1.187 301 I CB 1.013 39.007 38.000 -0.010 0.000 1.351 301 I HN 0.722 nan 8.210 nan 0.000 0.472 302 S N 3.050 118.745 115.700 -0.008 0.000 2.501 302 S HA 0.411 4.881 4.470 -0.000 0.000 0.301 302 S C 0.579 175.176 174.600 -0.004 0.000 1.096 302 S CA -0.825 57.371 58.200 -0.006 0.000 1.063 302 S CB 2.243 65.439 63.200 -0.008 0.000 1.042 302 S HN 0.564 nan 8.310 nan 0.000 0.494 303 E N 1.475 121.674 120.200 -0.001 0.000 2.152 303 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 303 E C 1.475 178.074 176.600 -0.001 0.000 0.983 303 E CA 1.036 57.436 56.400 0.000 0.000 0.818 303 E CB -0.070 29.631 29.700 0.003 0.000 0.758 303 E HN 0.800 nan 8.360 nan 0.000 0.467 304 E N 0.964 121.164 120.200 -0.001 0.000 2.048 304 E HA -0.222 4.128 4.350 -0.000 0.000 0.202 304 E C 2.021 178.619 176.600 -0.003 0.000 1.021 304 E CA 1.208 57.607 56.400 -0.002 0.000 0.825 304 E CB -0.255 29.443 29.700 -0.003 0.000 0.756 304 E HN 0.300 nan 8.360 nan 0.000 0.454 305 I N -0.003 120.564 120.570 -0.005 0.000 3.083 305 I HA -0.082 4.088 4.170 -0.000 0.000 0.273 305 I C 1.339 177.453 176.117 -0.005 0.000 1.297 305 I CA 0.742 62.038 61.300 -0.005 0.000 1.452 305 I CB -0.366 37.630 38.000 -0.007 0.000 1.078 305 I HN 0.353 nan 8.210 nan 0.000 0.484 306 G N 1.088 109.886 108.800 -0.004 0.000 2.130 306 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 306 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 306 G C 0.207 175.104 174.900 -0.004 0.000 0.999 306 G CA -0.362 44.736 45.100 -0.003 0.000 0.686 306 G HN 0.243 nan 8.290 nan 0.000 0.515 307 M N 0.262 119.859 119.600 -0.005 0.000 2.255 307 M HA 0.514 4.994 4.480 -0.000 0.000 0.336 307 M C 0.420 176.717 176.300 -0.006 0.000 1.135 307 M CA 0.227 55.523 55.300 -0.007 0.000 1.145 307 M CB 0.866 33.462 32.600 -0.008 0.000 1.473 307 M HN 0.249 nan 8.290 nan 0.000 0.462 308 E N 1.374 121.569 120.200 -0.007 0.000 2.256 308 E HA 0.307 4.657 4.350 -0.000 0.000 0.267 308 E C 0.158 176.753 176.600 -0.009 0.000 0.892 308 E CA -0.575 55.822 56.400 -0.007 0.000 0.775 308 E CB 2.251 31.947 29.700 -0.006 0.000 1.207 308 E HN 0.637 nan 8.360 nan 0.000 0.420 309 L N 1.396 122.614 121.223 -0.007 0.000 2.093 309 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 309 L C 1.665 178.527 176.870 -0.015 0.000 1.085 309 L CA 1.255 56.088 54.840 -0.010 0.000 0.755 309 L CB -0.193 41.863 42.059 -0.005 0.000 0.904 309 L HN 0.565 nan 8.230 nan 0.000 0.435 310 E N 0.384 120.577 120.200 -0.011 0.000 2.160 310 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 310 E C 1.448 178.037 176.600 -0.018 0.000 0.991 310 E CA 1.005 57.397 56.400 -0.013 0.000 0.810 310 E CB -0.053 29.641 29.700 -0.009 0.000 0.742 310 E HN 0.344 nan 8.360 nan 0.000 0.466 311 K N 0.247 120.636 120.400 -0.017 0.000 2.469 311 K HA 0.320 4.640 4.320 -0.000 0.000 0.201 311 K C -0.143 176.441 176.600 -0.026 0.000 1.028 311 K CA -0.047 56.228 56.287 -0.020 0.000 1.170 311 K CB 0.834 33.325 32.500 -0.015 0.000 0.874 311 K HN 0.003 nan 8.250 nan 0.000 0.507 312 A N 1.945 124.746 122.820 -0.032 0.000 2.328 312 A HA 0.289 4.609 4.320 -0.000 0.000 0.284 312 A C 0.427 177.975 177.584 -0.061 0.000 1.160 312 A CA -0.388 51.623 52.037 -0.042 0.000 0.818 312 A CB 0.311 19.287 19.000 -0.041 0.000 1.087 312 A HN 0.242 nan 8.150 nan 0.000 0.504 313 T N 0.122 114.634 114.554 -0.069 0.000 2.949 313 T HA 0.513 4.863 4.350 -0.000 0.000 0.287 313 T C 1.144 175.757 174.700 -0.144 0.000 1.034 313 T CA -0.770 61.275 62.100 -0.093 0.000 1.018 313 T CB 0.605 69.432 68.868 -0.068 0.000 1.135 313 T HN 0.355 nan 8.240 nan 0.000 0.532 314 L N -0.001 121.099 121.223 -0.206 0.000 2.189 314 L HA -0.104 4.236 4.340 -0.000 0.000 0.214 314 L C 2.866 179.612 176.870 -0.207 0.000 1.097 314 L CA 1.727 56.351 54.840 -0.361 0.000 0.764 314 L CB -0.568 41.245 42.059 -0.411 0.000 0.900 314 L HN 0.873 nan 8.230 nan 0.000 0.436 315 E N -0.018 120.123 120.200 -0.098 0.000 2.268 315 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 315 E C 1.364 177.950 176.600 -0.024 0.000 0.995 315 E CA 0.850 57.230 56.400 -0.033 0.000 0.836 315 E CB 0.195 29.883 29.700 -0.020 0.000 0.763 315 E HN 0.476 nan 8.360 nan 0.000 0.491 316 D N -0.101 120.271 120.400 -0.047 0.000 2.289 316 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 316 D C 0.104 176.393 176.300 -0.018 0.000 0.966 316 D CA 0.248 54.230 54.000 -0.030 0.000 0.868 316 D CB 0.217 40.994 40.800 -0.038 0.000 0.943 316 D HN 0.122 nan 8.370 nan 0.000 0.514 317 L N 1.025 122.226 121.223 -0.038 0.000 2.426 317 L HA 0.256 4.596 4.340 -0.000 0.000 0.271 317 L C 1.523 178.459 176.870 0.110 0.000 1.169 317 L CA 0.062 54.911 54.840 0.015 0.000 0.836 317 L CB 0.623 42.643 42.059 -0.065 0.000 1.112 317 L HN -0.150 nan 8.230 nan 0.000 0.465 318 G N 1.481 110.351 108.800 0.116 0.000 2.516 318 G HA2 0.460 4.420 3.960 -0.000 0.000 0.276 318 G HA3 0.460 4.420 3.960 -0.000 0.000 0.276 318 G C -0.847 174.151 174.900 0.163 0.000 1.390 318 G CA -0.161 45.005 45.100 0.110 0.000 1.050 318 G HN 0.576 nan 8.290 nan 0.000 0.519 319 Q N -2.512 117.342 119.800 0.089 0.000 2.503 319 Q HA 0.540 4.880 4.340 -0.000 0.000 0.268 319 Q C -1.288 174.712 176.000 -0.001 0.000 0.982 319 Q CA -0.518 55.306 55.803 0.034 0.000 0.907 319 Q CB 1.930 30.681 28.738 0.023 0.000 1.467 319 Q HN 1.103 nan 8.270 nan 0.000 0.394 320 A N 2.054 124.854 122.820 -0.034 0.000 2.606 320 A HA 0.475 4.795 4.320 -0.000 0.000 0.293 320 A C -0.731 176.823 177.584 -0.050 0.000 1.082 320 A CA -0.629 51.393 52.037 -0.025 0.000 0.685 320 A CB 1.552 20.552 19.000 0.000 0.000 1.284 320 A HN 0.769 nan 8.150 nan 0.000 0.408 321 K N -0.465 119.912 120.400 -0.038 0.000 2.228 321 K HA 0.055 4.375 4.320 -0.000 0.000 0.202 321 K C 0.624 177.201 176.600 -0.038 0.000 1.051 321 K CA 1.143 57.404 56.287 -0.044 0.000 0.960 321 K CB 0.198 32.679 32.500 -0.032 0.000 0.743 321 K HN 0.536 nan 8.250 nan 0.000 0.458 322 R N 0.133 120.618 120.500 -0.026 0.000 2.633 322 R HA 0.136 4.476 4.340 -0.000 0.000 0.255 322 R C -1.946 174.348 176.300 -0.010 0.000 1.106 322 R CA -0.517 55.571 56.100 -0.020 0.000 0.959 322 R CB 1.577 31.867 30.300 -0.017 0.000 1.259 322 R HN -0.043 nan 8.270 nan 0.000 0.453 323 V N 0.827 120.736 119.914 -0.009 0.000 2.735 323 V HA 0.866 4.986 4.120 -0.000 0.000 0.310 323 V C -1.269 174.818 176.094 -0.010 0.000 1.061 323 V CA -0.609 61.688 62.300 -0.005 0.000 0.913 323 V CB 2.163 33.988 31.823 0.004 0.000 1.005 323 V HN 0.428 nan 8.190 nan 0.000 0.428 324 V N 5.706 125.607 119.914 -0.021 0.000 2.483 324 V HA 0.546 4.666 4.120 -0.000 0.000 0.297 324 V C -0.280 175.793 176.094 -0.034 0.000 1.027 324 V CA -0.280 62.011 62.300 -0.014 0.000 0.855 324 V CB 1.548 33.364 31.823 -0.011 0.000 0.995 324 V HN 0.856 nan 8.190 nan 0.000 0.424 325 I N 4.530 125.103 120.570 0.006 0.000 2.377 325 I HA 0.493 4.663 4.170 -0.000 0.000 0.293 325 I C 0.115 176.263 176.117 0.053 0.000 0.987 325 I CA -0.383 60.920 61.300 0.004 0.000 1.185 325 I CB 1.685 39.730 38.000 0.074 0.000 1.341 325 I HN 0.514 nan 8.210 nan 0.000 0.455 326 N N 3.855 122.505 118.700 -0.082 0.000 2.725 326 N HA 0.230 4.970 4.740 -0.000 0.000 0.312 326 N C 0.783 175.992 175.510 -0.502 0.000 1.295 326 N CA -0.529 52.447 53.050 -0.123 0.000 0.914 326 N CB 1.347 39.759 38.487 -0.124 0.000 1.177 326 N HN 0.536 nan 8.380 nan 0.000 0.601 327 K N -0.146 120.003 120.400 -0.419 0.000 2.209 327 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 327 K C -0.618 175.649 176.600 -0.556 0.000 1.048 327 K CA 1.835 57.745 56.287 -0.628 0.000 0.940 327 K CB 0.017 32.414 32.500 -0.173 0.000 0.729 327 K HN 0.621 nan 8.250 nan 0.000 0.451 328 D N -1.421 118.768 120.400 -0.353 0.000 3.120 328 D HA 0.110 4.750 4.640 -0.000 0.000 0.331 328 D C -0.863 175.324 176.300 -0.189 0.000 1.595 328 D CA -0.504 53.353 54.000 -0.238 0.000 0.771 328 D CB 0.530 41.242 40.800 -0.147 0.000 1.274 328 D HN -0.114 nan 8.370 nan 0.000 0.503 329 T N -0.472 113.943 114.554 -0.231 0.000 3.012 329 T HA 0.630 4.980 4.350 -0.000 0.000 0.330 329 T C -1.494 173.018 174.700 -0.314 0.000 1.321 329 T CA -0.338 61.620 62.100 -0.236 0.000 1.067 329 T CB 2.017 70.795 68.868 -0.151 0.000 1.235 329 T HN -0.029 nan 8.240 nan 0.000 0.479 330 T N 2.085 116.324 114.554 -0.525 0.000 2.879 330 T HA 0.622 4.972 4.350 -0.000 0.000 0.290 330 T C -0.844 173.537 174.700 -0.533 0.000 0.993 330 T CA -0.534 61.206 62.100 -0.601 0.000 0.975 330 T CB 1.607 69.883 68.868 -0.985 0.000 0.981 330 T HN 0.599 nan 8.240 nan 0.000 0.439 331 T N 3.835 118.248 114.554 -0.234 0.000 2.840 331 T HA 0.631 4.981 4.350 -0.000 0.000 0.287 331 T C -0.567 174.120 174.700 -0.021 0.000 0.991 331 T CA -0.653 61.388 62.100 -0.098 0.000 0.964 331 T CB 0.135 68.964 68.868 -0.065 0.000 0.954 331 T HN 0.492 nan 8.240 nan 0.000 0.438 332 I N 6.304 126.901 120.570 0.046 0.000 2.325 332 I HA 0.407 4.577 4.170 -0.000 0.000 0.291 332 I C -0.117 176.020 176.117 0.034 0.000 1.019 332 I CA -0.679 60.656 61.300 0.058 0.000 1.302 332 I CB 1.082 39.148 38.000 0.110 0.000 1.401 332 I HN 0.556 nan 8.210 nan 0.000 0.485 333 I N 6.030 126.610 120.570 0.016 0.000 2.362 333 I HA 0.254 4.424 4.170 -0.000 0.000 0.289 333 I C -0.445 175.673 176.117 0.002 0.000 0.994 333 I CA -0.422 60.882 61.300 0.006 0.000 1.158 333 I CB 1.160 39.158 38.000 -0.003 0.000 1.315 333 I HN 0.564 nan 8.210 nan 0.000 0.451 334 D N 5.023 125.425 120.400 0.003 0.000 3.241 334 D HA -0.107 4.533 4.640 -0.000 0.000 0.248 334 D C 0.164 176.464 176.300 -0.000 0.000 1.093 334 D CA 0.799 54.798 54.000 -0.001 0.000 0.940 334 D CB -0.241 40.554 40.800 -0.009 0.000 0.980 334 D HN 0.838 nan 8.370 nan 0.000 0.421 335 G N 0.294 109.098 108.800 0.007 0.000 2.467 335 G HA2 0.378 4.338 3.960 -0.000 0.000 0.257 335 G HA3 0.378 4.338 3.960 -0.000 0.000 0.257 335 G C 1.440 176.343 174.900 0.006 0.000 1.227 335 G CA -0.287 44.819 45.100 0.010 0.000 0.835 335 G HN 0.274 nan 8.290 nan 0.000 0.556 336 V N 2.407 122.325 119.914 0.007 0.000 2.871 336 V HA 0.034 4.154 4.120 -0.000 0.000 0.256 336 V C 2.241 178.342 176.094 0.010 0.000 1.082 336 V CA 0.948 63.252 62.300 0.007 0.000 1.105 336 V CB -1.146 30.683 31.823 0.010 0.000 0.713 336 V HN 0.887 nan 8.190 nan 0.000 0.473 337 G N 1.412 110.220 108.800 0.013 0.000 2.238 337 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.234 337 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.234 337 G C 0.003 174.907 174.900 0.007 0.000 1.181 337 G CA -0.102 45.005 45.100 0.010 0.000 0.871 337 G HN 0.317 nan 8.290 nan 0.000 0.490 338 E N 1.619 121.823 120.200 0.006 0.000 2.384 338 E HA 0.011 4.361 4.350 -0.000 0.000 0.266 338 E C 1.421 178.022 176.600 0.002 0.000 1.012 338 E CA -0.217 56.185 56.400 0.004 0.000 0.901 338 E CB 0.940 30.642 29.700 0.004 0.000 0.967 338 E HN 0.625 nan 8.360 nan 0.000 0.435 339 E N 1.946 122.147 120.200 0.001 0.000 2.209 339 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 339 E C 1.565 178.165 176.600 -0.001 0.000 0.993 339 E CA 1.113 57.513 56.400 -0.000 0.000 0.819 339 E CB 0.124 29.824 29.700 -0.001 0.000 0.745 339 E HN 0.541 nan 8.360 nan 0.000 0.477 340 A N 1.478 124.298 122.820 -0.001 0.000 1.877 340 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 340 A C 2.415 179.998 177.584 -0.003 0.000 1.186 340 A CA 1.856 53.892 52.037 -0.002 0.000 0.620 340 A CB -0.505 18.494 19.000 -0.001 0.000 0.822 340 A HN 0.283 nan 8.150 nan 0.000 0.443 341 A N -0.226 122.593 122.820 -0.002 0.000 1.898 341 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 341 A C 2.144 179.725 177.584 -0.005 0.000 1.181 341 A CA 1.388 53.423 52.037 -0.003 0.000 0.620 341 A CB -0.570 18.429 19.000 -0.002 0.000 0.819 341 A HN 0.482 nan 8.150 nan 0.000 0.442 342 I N -0.939 119.629 120.570 -0.003 0.000 2.113 342 I HA -0.273 3.897 4.170 -0.000 0.000 0.238 342 I C 2.775 178.888 176.117 -0.006 0.000 1.070 342 I CA 1.817 63.114 61.300 -0.004 0.000 1.332 342 I CB -0.354 37.645 38.000 -0.002 0.000 1.044 342 I HN 0.328 nan 8.210 nan 0.000 0.402 343 Q N 1.234 121.031 119.800 -0.005 0.000 2.181 343 Q HA -0.140 4.200 4.340 -0.000 0.000 0.205 343 Q C 2.008 178.004 176.000 -0.007 0.000 0.980 343 Q CA 1.999 57.798 55.803 -0.005 0.000 0.862 343 Q CB -0.717 28.018 28.738 -0.004 0.000 0.905 343 Q HN 0.520 nan 8.270 nan 0.000 0.429 344 G N -0.362 108.434 108.800 -0.007 0.000 2.403 344 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 344 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 344 G C 1.549 176.443 174.900 -0.010 0.000 1.154 344 G CA 0.704 45.799 45.100 -0.007 0.000 0.784 344 G HN 0.343 nan 8.290 nan 0.000 0.538 345 R N 0.449 120.943 120.500 -0.011 0.000 2.091 345 R HA -0.034 4.306 4.340 -0.000 0.000 0.238 345 R C 2.503 178.794 176.300 -0.015 0.000 1.136 345 R CA 1.596 57.688 56.100 -0.014 0.000 0.959 345 R CB -0.901 29.390 30.300 -0.015 0.000 0.856 345 R HN 0.194 nan 8.270 nan 0.000 0.437 346 V N 0.930 120.836 119.914 -0.013 0.000 2.392 346 V HA -0.229 3.891 4.120 -0.000 0.000 0.249 346 V C 2.388 178.473 176.094 -0.014 0.000 1.059 346 V CA 1.894 64.186 62.300 -0.014 0.000 1.051 346 V CB -1.022 30.794 31.823 -0.010 0.000 0.658 346 V HN 0.563 nan 8.190 nan 0.000 0.455 347 A N -0.577 122.235 122.820 -0.012 0.000 1.877 347 A HA -0.298 4.022 4.320 -0.000 0.000 0.216 347 A C 2.193 179.769 177.584 -0.013 0.000 1.186 347 A CA 2.003 54.034 52.037 -0.011 0.000 0.620 347 A CB -0.510 18.485 19.000 -0.009 0.000 0.822 347 A HN 0.622 nan 8.150 nan 0.000 0.443 348 Q N -0.519 119.273 119.800 -0.014 0.000 2.096 348 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 348 Q C 2.015 178.003 176.000 -0.019 0.000 0.982 348 Q CA 1.650 57.443 55.803 -0.016 0.000 0.850 348 Q CB -0.374 28.353 28.738 -0.017 0.000 0.901 348 Q HN 0.767 nan 8.270 nan 0.000 0.422 349 I N 0.032 120.589 120.570 -0.022 0.000 2.439 349 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 349 I C 2.229 178.331 176.117 -0.025 0.000 1.139 349 I CA 0.878 62.162 61.300 -0.027 0.000 1.438 349 I CB -0.194 37.788 38.000 -0.030 0.000 1.085 349 I HN 0.102 nan 8.210 nan 0.000 0.427 350 R N 0.348 120.836 120.500 -0.020 0.000 2.189 350 R HA -0.094 4.246 4.340 -0.000 0.000 0.218 350 R C 2.234 178.525 176.300 -0.016 0.000 1.074 350 R CA 0.866 56.955 56.100 -0.018 0.000 0.991 350 R CB -0.015 30.276 30.300 -0.014 0.000 0.883 350 R HN 0.467 nan 8.270 nan 0.000 0.457 351 Q N -0.311 119.480 119.800 -0.015 0.000 2.212 351 Q HA -0.085 4.254 4.340 -0.000 0.000 0.199 351 Q C 1.930 177.921 176.000 -0.015 0.000 0.950 351 Q CA 0.694 56.489 55.803 -0.013 0.000 0.863 351 Q CB 0.277 29.007 28.738 -0.012 0.000 0.944 351 Q HN 0.332 nan 8.270 nan 0.000 0.465 352 Q N 0.608 120.397 119.800 -0.019 0.000 2.112 352 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 352 Q C 2.108 178.095 176.000 -0.022 0.000 0.987 352 Q CA 1.210 57.000 55.803 -0.022 0.000 0.858 352 Q CB -0.303 28.417 28.738 -0.030 0.000 0.905 352 Q HN 0.483 nan 8.270 nan 0.000 0.420 353 I N 1.093 121.649 120.570 -0.024 0.000 2.361 353 I HA -0.240 3.930 4.170 -0.000 0.000 0.251 353 I C 2.163 178.271 176.117 -0.015 0.000 1.133 353 I CA 0.911 62.197 61.300 -0.023 0.000 1.413 353 I CB -0.265 37.721 38.000 -0.023 0.000 1.073 353 I HN 0.150 nan 8.210 nan 0.000 0.424 354 E N 1.231 121.424 120.200 -0.012 0.000 2.016 354 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 354 E C 1.811 178.407 176.600 -0.007 0.000 0.985 354 E CA 1.119 57.514 56.400 -0.008 0.000 0.802 354 E CB -0.407 29.289 29.700 -0.008 0.000 0.762 354 E HN 0.567 nan 8.360 nan 0.000 0.448 355 E N 1.215 121.410 120.200 -0.008 0.000 2.515 355 E HA 0.068 4.418 4.350 -0.000 0.000 0.201 355 E C 0.260 176.858 176.600 -0.005 0.000 1.071 355 E CA 0.052 56.449 56.400 -0.006 0.000 0.880 355 E CB -0.021 29.674 29.700 -0.007 0.000 0.828 355 E HN 0.088 nan 8.360 nan 0.000 0.540 356 A N 1.792 124.609 122.820 -0.006 0.000 2.522 356 A HA 0.060 4.380 4.320 -0.000 0.000 0.256 356 A C 1.031 178.618 177.584 0.004 0.000 1.086 356 A CA 0.111 52.146 52.037 -0.004 0.000 0.763 356 A CB -0.118 18.876 19.000 -0.010 0.000 1.024 356 A HN 0.193 nan 8.150 nan 0.000 0.502 357 T N -0.327 114.233 114.554 0.010 0.000 3.264 357 T HA 0.493 4.843 4.350 -0.000 0.000 0.257 357 T C 0.155 174.870 174.700 0.025 0.000 0.976 357 T CA 0.232 62.341 62.100 0.015 0.000 0.908 357 T CB -0.580 68.296 68.868 0.013 0.000 1.082 357 T HN 1.101 nan 8.240 nan 0.000 0.567 358 S N -0.888 114.830 115.700 0.030 0.000 2.578 358 S HA 0.329 4.798 4.470 -0.000 0.000 0.272 358 S C -0.637 173.993 174.600 0.051 0.000 1.145 358 S CA -0.618 57.612 58.200 0.051 0.000 0.835 358 S CB 1.297 64.546 63.200 0.081 0.000 1.104 358 S HN 0.089 nan 8.310 nan 0.000 0.458 359 D N 0.953 121.396 120.400 0.070 0.000 2.162 359 D HA 0.000 4.640 4.640 -0.000 0.000 0.205 359 D C 1.364 177.715 176.300 0.084 0.000 0.964 359 D CA 1.098 55.135 54.000 0.063 0.000 0.847 359 D CB -0.222 40.617 40.800 0.065 0.000 0.988 359 D HN 0.600 nan 8.370 nan 0.000 0.480 360 Y N 2.587 122.889 120.300 0.004 0.000 2.070 360 Y HA -0.229 4.321 4.550 -0.000 0.000 0.279 360 Y C 1.509 177.408 175.900 -0.002 0.000 1.134 360 Y CA 1.970 60.073 58.100 0.005 0.000 1.113 360 Y CB -0.496 37.969 38.460 0.008 0.000 0.981 360 Y HN -0.171 nan 8.280 nan 0.000 0.487 361 D N -0.365 120.022 120.400 -0.022 0.000 2.228 361 D HA -0.200 4.440 4.640 -0.000 0.000 0.203 361 D C 2.194 178.411 176.300 -0.138 0.000 0.988 361 D CA 1.576 55.504 54.000 -0.119 0.000 0.864 361 D CB -0.260 40.545 40.800 0.008 0.000 0.928 361 D HN 0.346 nan 8.370 nan 0.000 0.469 362 R N 0.370 120.820 120.500 -0.083 0.000 2.062 362 R HA -0.083 4.257 4.340 -0.000 0.000 0.226 362 R C 1.658 177.902 176.300 -0.093 0.000 1.125 362 R CA 0.882 56.943 56.100 -0.065 0.000 0.966 362 R CB 0.190 30.475 30.300 -0.025 0.000 0.861 362 R HN 0.032 nan 8.270 nan 0.000 0.433 363 E N 0.834 120.965 120.200 -0.114 0.000 2.110 363 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 363 E C 1.796 178.300 176.600 -0.160 0.000 0.988 363 E CA 0.967 57.301 56.400 -0.111 0.000 0.804 363 E CB -0.030 29.619 29.700 -0.084 0.000 0.745 363 E HN 0.187 nan 8.360 nan 0.000 0.458 364 K N 0.628 120.861 120.400 -0.279 0.000 2.097 364 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 364 K C 2.381 178.886 176.600 -0.159 0.000 1.050 364 K CA 0.486 56.613 56.287 -0.268 0.000 0.938 364 K CB -0.413 31.835 32.500 -0.419 0.000 0.718 364 K HN 0.196 nan 8.250 nan 0.000 0.442 365 L N 0.953 122.095 121.223 -0.136 0.000 2.109 365 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 365 L C 2.547 179.378 176.870 -0.065 0.000 1.086 365 L CA 1.124 55.911 54.840 -0.089 0.000 0.760 365 L CB -0.360 41.655 42.059 -0.074 0.000 0.910 365 L HN 0.210 nan 8.230 nan 0.000 0.437 366 Q N -0.132 119.631 119.800 -0.062 0.000 2.124 366 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 366 Q C 2.076 178.055 176.000 -0.036 0.000 0.977 366 Q CA 1.430 57.208 55.803 -0.042 0.000 0.850 366 Q CB -0.107 28.609 28.738 -0.036 0.000 0.901 366 Q HN 0.532 nan 8.270 nan 0.000 0.429 367 E N 0.496 120.669 120.200 -0.046 0.000 2.085 367 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 367 E C 2.101 178.686 176.600 -0.024 0.000 0.994 367 E CA 0.810 57.191 56.400 -0.031 0.000 0.801 367 E CB 0.005 29.683 29.700 -0.038 0.000 0.743 367 E HN 0.267 nan 8.360 nan 0.000 0.453 368 R N 0.371 120.849 120.500 -0.038 0.000 2.066 368 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 368 R C 2.740 179.026 176.300 -0.023 0.000 1.131 368 R CA 1.621 57.701 56.100 -0.033 0.000 0.955 368 R CB -0.683 29.588 30.300 -0.048 0.000 0.851 368 R HN 0.215 nan 8.270 nan 0.000 0.432 369 V N -1.190 118.710 119.914 -0.025 0.000 2.343 369 V HA -0.122 3.998 4.120 -0.000 0.000 0.247 369 V C 2.399 178.487 176.094 -0.010 0.000 1.051 369 V CA 1.753 64.042 62.300 -0.018 0.000 1.036 369 V CB -1.163 30.649 31.823 -0.019 0.000 0.654 369 V HN 0.248 nan 8.190 nan 0.000 0.451 370 A N 0.638 123.453 122.820 -0.009 0.000 1.917 370 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 370 A C 2.336 179.923 177.584 0.004 0.000 1.182 370 A CA 2.581 54.616 52.037 -0.003 0.000 0.633 370 A CB -0.654 18.345 19.000 -0.002 0.000 0.819 370 A HN 0.659 nan 8.150 nan 0.000 0.448 371 K N -1.290 119.114 120.400 0.007 0.000 1.984 371 K HA -0.058 4.262 4.320 -0.000 0.000 0.209 371 K C 1.946 178.555 176.600 0.015 0.000 1.046 371 K CA 1.301 57.599 56.287 0.019 0.000 0.934 371 K CB -0.356 32.160 32.500 0.027 0.000 0.717 371 K HN 0.325 nan 8.250 nan 0.000 0.438 372 L N 0.812 122.038 121.223 0.005 0.000 2.017 372 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 372 L C 2.142 179.013 176.870 0.002 0.000 1.073 372 L CA 1.870 56.711 54.840 0.002 0.000 0.745 372 L CB -0.702 41.353 42.059 -0.008 0.000 0.894 372 L HN 0.171 nan 8.230 nan 0.000 0.432 373 A N -1.412 121.408 122.820 -0.001 0.000 1.935 373 A HA 0.114 4.434 4.320 -0.000 0.000 0.214 373 A C 2.299 179.884 177.584 0.001 0.000 1.178 373 A CA 0.955 52.991 52.037 -0.001 0.000 0.640 373 A CB -1.212 17.786 19.000 -0.004 0.000 0.825 373 A HN 0.450 nan 8.150 nan 0.000 0.447 374 G N -0.651 108.150 108.800 0.003 0.000 2.432 374 G HA2 0.297 4.257 3.960 -0.000 0.000 0.219 374 G HA3 0.297 4.257 3.960 -0.000 0.000 0.219 374 G C 1.249 176.152 174.900 0.005 0.000 1.135 374 G CA 0.938 46.040 45.100 0.004 0.000 0.767 374 G HN 1.679 nan 8.290 nan 0.000 0.550 375 G N -1.758 107.047 108.800 0.008 0.000 2.598 375 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.244 375 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.244 375 G C -0.610 174.295 174.900 0.008 0.000 1.302 375 G CA -0.149 44.956 45.100 0.008 0.000 0.903 375 G HN 1.126 nan 8.290 nan 0.000 0.575 376 V N 0.161 120.078 119.914 0.005 0.000 2.668 376 V HA 0.701 4.821 4.120 -0.000 0.000 0.304 376 V C 0.593 176.685 176.094 -0.004 0.000 1.071 376 V CA -0.079 62.222 62.300 0.001 0.000 0.894 376 V CB 1.429 33.254 31.823 0.004 0.000 1.008 376 V HN 2.173 nan 8.190 nan 0.000 0.425 377 A N 4.462 127.277 122.820 -0.008 0.000 2.362 377 A HA 0.708 5.027 4.320 -0.000 0.000 0.276 377 A C -0.412 177.163 177.584 -0.015 0.000 1.153 377 A CA -0.244 51.786 52.037 -0.012 0.000 0.813 377 A CB 0.589 19.581 19.000 -0.014 0.000 1.081 377 A HN 0.800 nan 8.150 nan 0.000 0.507 378 V N 5.166 125.071 119.914 -0.014 0.000 2.334 378 V HA 0.276 4.396 4.120 -0.000 0.000 0.281 378 V C -0.115 175.969 176.094 -0.017 0.000 1.016 378 V CA -0.128 62.163 62.300 -0.016 0.000 0.832 378 V CB 0.943 32.759 31.823 -0.013 0.000 0.999 378 V HN 0.737 nan 8.190 nan 0.000 0.439 379 I N 5.232 125.790 120.570 -0.021 0.000 2.315 379 I HA 0.368 4.537 4.170 -0.000 0.000 0.291 379 I C 0.285 176.391 176.117 -0.018 0.000 1.006 379 I CA -0.372 60.916 61.300 -0.020 0.000 1.265 379 I CB 1.043 39.027 38.000 -0.026 0.000 1.387 379 I HN 0.482 nan 8.210 nan 0.000 0.475 380 K N 6.172 126.563 120.400 -0.015 0.000 2.299 380 K HA 0.371 4.691 4.320 -0.000 0.000 0.268 380 K C -0.628 175.965 176.600 -0.012 0.000 1.075 380 K CA -0.629 55.651 56.287 -0.013 0.000 0.936 380 K CB 1.601 34.094 32.500 -0.011 0.000 1.228 380 K HN 0.339 nan 8.250 nan 0.000 0.454 381 V N 2.994 122.901 119.914 -0.012 0.000 2.720 381 V HA -0.079 4.040 4.120 -0.000 0.000 0.307 381 V C 1.525 177.614 176.094 -0.008 0.000 1.071 381 V CA 0.390 62.684 62.300 -0.010 0.000 1.199 381 V CB 0.464 32.281 31.823 -0.010 0.000 0.900 381 V HN 0.949 nan 8.190 nan 0.000 0.494 382 G N 3.002 111.798 108.800 -0.008 0.000 2.413 382 G HA2 0.431 4.391 3.960 -0.000 0.000 0.300 382 G HA3 0.431 4.391 3.960 -0.000 0.000 0.300 382 G C 0.307 175.204 174.900 -0.005 0.000 1.370 382 G CA 0.519 45.615 45.100 -0.006 0.000 1.110 382 G HN 1.275 nan 8.290 nan 0.000 0.596 383 A N -2.955 119.862 122.820 -0.005 0.000 3.117 383 A HA 0.851 5.171 4.320 -0.000 0.000 0.158 383 A C 0.422 178.003 177.584 -0.003 0.000 1.138 383 A CA 0.952 52.987 52.037 -0.004 0.000 2.059 383 A CB -0.420 18.578 19.000 -0.004 0.000 2.607 383 A HN 2.625 nan 8.150 nan 0.000 1.059 384 A N -0.470 122.348 122.820 -0.003 0.000 2.419 384 A HA 0.546 4.866 4.320 -0.000 0.000 0.262 384 A C 1.025 178.608 177.584 -0.002 0.000 1.352 384 A CA 1.273 53.308 52.037 -0.003 0.000 0.709 384 A CB -2.622 16.376 19.000 -0.003 0.000 1.150 384 A HN 3.514 nan 8.150 nan 0.000 0.329 385 T N -1.612 112.941 114.554 -0.002 0.000 0.552 385 T HA -0.083 4.267 4.350 -0.000 0.000 0.773 385 T C 0.324 175.023 174.700 -0.002 0.000 0.992 385 T CA 1.490 63.589 62.100 -0.002 0.000 4.070 385 T CB -1.217 67.650 68.868 -0.001 0.000 2.299 385 T HN 1.991 nan 8.240 nan 0.000 0.397 386 E N 1.469 121.668 120.200 -0.001 0.000 2.171 386 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 386 E C 1.993 178.593 176.600 -0.000 0.000 0.997 386 E CA 2.115 58.514 56.400 -0.001 0.000 0.810 386 E CB -0.107 29.592 29.700 -0.001 0.000 0.738 386 E HN 0.679 nan 8.360 nan 0.000 0.467 387 V N 1.047 120.961 119.914 -0.000 0.000 2.270 387 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 387 V C 2.119 178.213 176.094 0.000 0.000 1.043 387 V CA 2.139 64.439 62.300 0.000 0.000 1.014 387 V CB -0.640 31.183 31.823 0.000 0.000 0.645 387 V HN 0.262 nan 8.190 nan 0.000 0.447 388 E N -0.223 119.976 120.200 -0.001 0.000 2.118 388 E HA -0.254 4.096 4.350 -0.000 0.000 0.195 388 E C 2.199 178.798 176.600 -0.001 0.000 0.992 388 E CA 1.475 57.874 56.400 -0.001 0.000 0.804 388 E CB -0.260 29.439 29.700 -0.002 0.000 0.741 388 E HN 0.423 nan 8.360 nan 0.000 0.458 389 M N 1.084 120.683 119.600 -0.002 0.000 2.080 389 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 389 M C 1.693 177.992 176.300 -0.001 0.000 1.068 389 M CA 1.574 56.872 55.300 -0.002 0.000 1.109 389 M CB -0.150 32.448 32.600 -0.003 0.000 1.342 389 M HN -0.102 nan 8.290 nan 0.000 0.405 390 K N 0.078 120.478 120.400 -0.000 0.000 2.148 390 K HA -0.132 4.187 4.320 -0.000 0.000 0.204 390 K C 1.867 178.468 176.600 0.002 0.000 1.050 390 K CA 0.994 57.282 56.287 0.001 0.000 0.942 390 K CB -0.560 31.942 32.500 0.003 0.000 0.724 390 K HN 0.509 nan 8.250 nan 0.000 0.446 391 E N 1.782 121.983 120.200 0.002 0.000 2.107 391 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 391 E C 1.910 178.511 176.600 0.001 0.000 0.982 391 E CA 1.080 57.481 56.400 0.002 0.000 0.809 391 E CB 0.147 29.847 29.700 0.001 0.000 0.756 391 E HN 0.201 nan 8.360 nan 0.000 0.459 392 K N 1.021 121.421 120.400 -0.001 0.000 2.103 392 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 392 K C 2.360 178.958 176.600 -0.003 0.000 1.052 392 K CA 1.231 57.517 56.287 -0.002 0.000 0.945 392 K CB -0.085 32.412 32.500 -0.004 0.000 0.722 392 K HN -0.074 nan 8.250 nan 0.000 0.443 393 K N 0.240 120.639 120.400 -0.003 0.000 2.152 393 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 393 K C 1.842 178.442 176.600 -0.000 0.000 1.048 393 K CA 1.272 57.557 56.287 -0.004 0.000 0.933 393 K CB -0.131 32.368 32.500 -0.002 0.000 0.721 393 K HN 0.242 nan 8.250 nan 0.000 0.447 394 A N 1.439 124.262 122.820 0.005 0.000 1.855 394 A HA -0.119 4.201 4.320 -0.000 0.000 0.215 394 A C 2.060 179.653 177.584 0.014 0.000 1.191 394 A CA 1.232 53.277 52.037 0.013 0.000 0.613 394 A CB -0.429 18.579 19.000 0.013 0.000 0.829 394 A HN 0.316 nan 8.150 nan 0.000 0.442 395 R N -0.523 119.982 120.500 0.008 0.000 2.105 395 R HA -0.106 4.233 4.340 -0.000 0.000 0.239 395 R C 2.009 178.310 176.300 0.002 0.000 1.135 395 R CA 1.486 57.590 56.100 0.007 0.000 0.967 395 R CB -0.628 29.673 30.300 0.002 0.000 0.861 395 R HN 0.404 nan 8.270 nan 0.000 0.442 396 V N 1.004 120.913 119.914 -0.007 0.000 2.295 396 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 396 V C 2.077 178.148 176.094 -0.038 0.000 1.049 396 V CA 1.826 64.113 62.300 -0.021 0.000 1.024 396 V CB -0.437 31.372 31.823 -0.024 0.000 0.648 396 V HN 0.325 nan 8.190 nan 0.000 0.447 397 E N -0.185 119.996 120.200 -0.031 0.000 2.085 397 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 397 E C 1.996 178.581 176.600 -0.025 0.000 0.994 397 E CA 1.571 57.937 56.400 -0.058 0.000 0.801 397 E CB -0.083 29.619 29.700 0.004 0.000 0.743 397 E HN 0.618 nan 8.360 nan 0.000 0.453 398 D N -0.173 120.263 120.400 0.060 0.000 2.091 398 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 398 D C 1.930 178.271 176.300 0.068 0.000 0.980 398 D CA 1.215 55.288 54.000 0.121 0.000 0.831 398 D CB -0.310 40.536 40.800 0.077 0.000 0.987 398 D HN 0.174 nan 8.370 nan 0.000 0.460 399 A N 1.123 123.955 122.820 0.020 0.000 1.948 399 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 399 A C 2.179 179.756 177.584 -0.013 0.000 1.177 399 A CA 1.173 53.213 52.037 0.006 0.000 0.636 399 A CB -0.734 18.262 19.000 -0.005 0.000 0.815 399 A HN 0.219 nan 8.150 nan 0.000 0.449 400 L N -0.714 120.471 121.223 -0.064 0.000 1.994 400 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 400 L C 2.437 179.247 176.870 -0.099 0.000 1.071 400 L CA 2.297 57.066 54.840 -0.119 0.000 0.745 400 L CB -0.848 41.079 42.059 -0.221 0.000 0.892 400 L HN 0.530 nan 8.230 nan 0.000 0.431 401 H N -0.488 118.580 119.070 -0.003 0.000 2.352 401 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 401 H C 2.102 177.430 175.328 0.000 0.000 1.097 401 H CA 1.488 57.534 56.048 -0.003 0.000 1.311 401 H CB -0.472 29.288 29.762 -0.004 0.000 1.377 401 H HN 0.513 nan 8.280 nan 0.000 0.504 402 A N 0.462 123.356 122.820 0.122 0.000 1.898 402 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 402 A C 2.644 180.253 177.584 0.043 0.000 1.181 402 A CA 2.054 54.132 52.037 0.069 0.000 0.620 402 A CB -0.817 18.212 19.000 0.048 0.000 0.819 402 A HN 0.402 nan 8.150 nan 0.000 0.442 403 T N -0.659 113.911 114.554 0.027 0.000 2.777 403 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 403 T C 2.090 176.800 174.700 0.017 0.000 1.040 403 T CA 1.603 63.712 62.100 0.014 0.000 1.141 403 T CB -0.218 68.649 68.868 -0.001 0.000 0.868 403 T HN 0.474 nan 8.240 nan 0.000 0.444 404 R N 1.831 122.344 120.500 0.021 0.000 2.091 404 R HA 0.019 4.359 4.340 -0.000 0.000 0.238 404 R C 2.357 178.678 176.300 0.035 0.000 1.136 404 R CA 1.805 57.920 56.100 0.025 0.000 0.959 404 R CB -0.933 29.388 30.300 0.036 0.000 0.856 404 R HN 0.360 nan 8.270 nan 0.000 0.437 405 A N -0.098 122.749 122.820 0.046 0.000 1.930 405 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 405 A C 2.328 179.930 177.584 0.030 0.000 1.175 405 A CA 1.489 53.551 52.037 0.041 0.000 0.627 405 A CB -0.909 18.119 19.000 0.046 0.000 0.815 405 A HN 0.470 nan 8.150 nan 0.000 0.443 406 A N -0.584 122.252 122.820 0.027 0.000 1.972 406 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 406 A C 2.121 179.715 177.584 0.017 0.000 1.169 406 A CA 1.681 53.730 52.037 0.021 0.000 0.635 406 A CB -0.718 18.293 19.000 0.018 0.000 0.810 406 A HN 0.368 nan 8.150 nan 0.000 0.446 407 V N -0.143 119.781 119.914 0.017 0.000 2.667 407 V HA -0.192 3.928 4.120 -0.000 0.000 0.252 407 V C 2.273 178.376 176.094 0.016 0.000 1.065 407 V CA 2.043 64.351 62.300 0.014 0.000 1.083 407 V CB -0.585 31.245 31.823 0.012 0.000 0.692 407 V HN 0.633 nan 8.190 nan 0.000 0.468 408 E N -0.207 120.005 120.200 0.019 0.000 2.122 408 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 408 E C 1.415 178.026 176.600 0.018 0.000 0.977 408 E CA 0.977 57.389 56.400 0.020 0.000 0.820 408 E CB 0.153 29.868 29.700 0.024 0.000 0.770 408 E HN 0.644 nan 8.360 nan 0.000 0.462 409 E N -0.725 119.486 120.200 0.019 0.000 2.743 409 E HA 0.224 4.574 4.350 -0.000 0.000 0.222 409 E C 0.182 176.791 176.600 0.016 0.000 0.959 409 E CA 0.091 56.501 56.400 0.017 0.000 1.198 409 E CB 1.728 31.439 29.700 0.018 0.000 1.100 409 E HN 0.219 nan 8.360 nan 0.000 0.518 410 G N 1.283 110.093 108.800 0.016 0.000 2.681 410 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.220 410 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.220 410 G C -0.295 174.615 174.900 0.016 0.000 1.353 410 G CA -0.433 44.676 45.100 0.015 0.000 0.872 410 G HN 0.552 nan 8.290 nan 0.000 0.557 411 V N -2.708 117.215 119.914 0.015 0.000 3.102 411 V HA 0.993 5.113 4.120 -0.000 0.000 0.312 411 V C 0.480 176.583 176.094 0.016 0.000 1.135 411 V CA 0.138 62.447 62.300 0.015 0.000 1.022 411 V CB 1.430 33.261 31.823 0.013 0.000 1.056 411 V HN 2.469 nan 8.190 nan 0.000 0.436 412 V N -1.071 118.853 119.914 0.016 0.000 3.181 412 V HA 0.987 5.107 4.120 -0.000 0.000 0.308 412 V C 0.407 176.511 176.094 0.016 0.000 1.214 412 V CA -0.753 61.557 62.300 0.018 0.000 1.053 412 V CB 1.256 33.090 31.823 0.019 0.000 1.069 412 V HN 2.100 nan 8.190 nan 0.000 0.441 413 A N 1.197 124.028 122.820 0.018 0.000 2.537 413 A HA 0.609 4.929 4.320 -0.000 0.000 0.260 413 A C 0.941 178.530 177.584 0.008 0.000 1.082 413 A CA 0.713 52.758 52.037 0.013 0.000 0.765 413 A CB -0.756 18.256 19.000 0.020 0.000 1.019 413 A HN 1.902 nan 8.150 nan 0.000 0.507 414 G N 1.427 110.227 108.800 0.001 0.000 2.514 414 G HA2 0.488 4.448 3.960 -0.000 0.000 0.245 414 G HA3 0.488 4.448 3.960 -0.000 0.000 0.245 414 G C 1.222 176.119 174.900 -0.004 0.000 1.488 414 G CA -0.021 45.079 45.100 -0.001 0.000 1.063 414 G HN 2.202 nan 8.290 nan 0.000 0.557 415 G N -2.040 106.756 108.800 -0.006 0.000 2.187 415 G HA2 0.195 4.155 3.960 -0.000 0.000 0.261 415 G HA3 0.195 4.155 3.960 -0.000 0.000 0.261 415 G C 1.554 176.460 174.900 0.011 0.000 1.000 415 G CA 1.253 46.352 45.100 -0.003 0.000 0.718 415 G HN 2.464 nan 8.290 nan 0.000 0.519 416 G N -2.326 106.480 108.800 0.010 0.000 2.168 416 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.263 416 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.263 416 G C 1.861 176.771 174.900 0.017 0.000 0.977 416 G CA 1.963 47.072 45.100 0.014 0.000 0.659 416 G HN 2.240 nan 8.290 nan 0.000 0.533 417 V N -2.033 117.890 119.914 0.017 0.000 2.719 417 V HA 0.450 4.570 4.120 -0.000 0.000 0.252 417 V C 2.707 178.818 176.094 0.028 0.000 1.065 417 V CA 1.846 64.160 62.300 0.023 0.000 1.086 417 V CB -0.474 31.358 31.823 0.015 0.000 0.700 417 V HN 1.347 nan 8.190 nan 0.000 0.467 418 A N 0.780 123.615 122.820 0.024 0.000 1.877 418 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 418 A C 2.238 179.837 177.584 0.026 0.000 1.186 418 A CA 2.201 54.254 52.037 0.026 0.000 0.620 418 A CB -0.707 18.306 19.000 0.022 0.000 0.822 418 A HN 0.579 nan 8.150 nan 0.000 0.443 419 L N -0.931 120.305 121.223 0.022 0.000 2.017 419 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 419 L C 2.547 179.430 176.870 0.022 0.000 1.073 419 L CA 1.595 56.447 54.840 0.020 0.000 0.745 419 L CB -0.323 41.746 42.059 0.018 0.000 0.894 419 L HN 0.530 nan 8.230 nan 0.000 0.432 420 I N -0.443 120.142 120.570 0.025 0.000 2.394 420 I HA -0.300 3.870 4.170 -0.000 0.000 0.251 420 I C 2.749 178.887 176.117 0.036 0.000 1.136 420 I CA 0.939 62.256 61.300 0.028 0.000 1.425 420 I CB 0.014 38.032 38.000 0.029 0.000 1.079 420 I HN 0.194 nan 8.210 nan 0.000 0.425 421 R N 0.441 120.966 120.500 0.042 0.000 2.066 421 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 421 R C 2.045 178.368 176.300 0.038 0.000 1.131 421 R CA 2.125 58.255 56.100 0.050 0.000 0.955 421 R CB -1.110 29.224 30.300 0.057 0.000 0.851 421 R HN 0.251 nan 8.270 nan 0.000 0.432 422 V N 0.878 120.811 119.914 0.030 0.000 2.332 422 V HA -0.225 3.894 4.120 -0.000 0.000 0.248 422 V C 2.271 178.377 176.094 0.020 0.000 1.055 422 V CA 2.060 64.374 62.300 0.023 0.000 1.038 422 V CB -0.737 31.098 31.823 0.019 0.000 0.651 422 V HN 0.593 nan 8.190 nan 0.000 0.450 423 A N 0.128 122.960 122.820 0.020 0.000 1.930 423 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 423 A C 2.508 180.103 177.584 0.018 0.000 1.175 423 A CA 1.953 54.000 52.037 0.017 0.000 0.627 423 A CB -0.774 18.236 19.000 0.016 0.000 0.815 423 A HN 0.717 nan 8.150 nan 0.000 0.443 424 S N 0.066 115.780 115.700 0.024 0.000 2.440 424 S HA -0.171 4.299 4.470 -0.000 0.000 0.238 424 S C 1.580 176.192 174.600 0.021 0.000 1.010 424 S CA 1.578 59.793 58.200 0.025 0.000 0.972 424 S CB -0.371 62.850 63.200 0.034 0.000 0.774 424 S HN 0.635 nan 8.310 nan 0.000 0.501 425 K N 0.504 120.916 120.400 0.020 0.000 2.361 425 K HA 0.289 4.609 4.320 -0.000 0.000 0.196 425 K C 0.900 177.507 176.600 0.012 0.000 1.039 425 K CA 0.311 56.608 56.287 0.016 0.000 1.001 425 K CB -0.081 32.429 32.500 0.017 0.000 0.795 425 K HN 0.421 nan 8.250 nan 0.000 0.495 426 L N 0.716 121.946 121.223 0.011 0.000 2.728 426 L HA 0.215 4.555 4.340 -0.000 0.000 0.235 426 L C 1.748 178.623 176.870 0.007 0.000 1.197 426 L CA -0.310 54.535 54.840 0.008 0.000 0.992 426 L CB -0.057 42.007 42.059 0.008 0.000 1.263 426 L HN 0.054 nan 8.230 nan 0.000 0.484 427 A N -0.037 122.788 122.820 0.008 0.000 2.076 427 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 427 A C 1.579 179.166 177.584 0.005 0.000 1.160 427 A CA 1.627 53.669 52.037 0.007 0.000 0.653 427 A CB -0.174 18.831 19.000 0.008 0.000 0.801 427 A HN 0.394 nan 8.150 nan 0.000 0.455 428 D N -1.290 119.113 120.400 0.005 0.000 2.369 428 D HA 0.160 4.800 4.640 -0.000 0.000 0.211 428 D C 0.181 176.483 176.300 0.003 0.000 1.077 428 D CA -0.303 53.699 54.000 0.004 0.000 0.842 428 D CB -0.019 40.783 40.800 0.003 0.000 0.947 428 D HN 0.341 nan 8.370 nan 0.000 0.509 429 L N 2.123 123.348 121.223 0.003 0.000 2.540 429 L HA 0.050 4.389 4.340 -0.000 0.000 0.276 429 L C 0.148 177.019 176.870 0.002 0.000 1.212 429 L CA 0.647 55.488 54.840 0.003 0.000 0.893 429 L CB 0.116 42.176 42.059 0.003 0.000 1.138 429 L HN -0.216 nan 8.230 nan 0.000 0.491 430 R N 3.231 123.732 120.500 0.001 0.000 2.867 430 R HA 0.693 5.033 4.340 -0.000 0.000 0.268 430 R C -0.130 176.170 176.300 0.001 0.000 1.014 430 R CA -0.310 55.791 56.100 0.001 0.000 0.946 430 R CB 1.487 31.788 30.300 0.001 0.000 1.208 430 R HN 0.801 nan 8.270 nan 0.000 0.477 431 G N -0.326 108.474 108.800 0.001 0.000 3.008 431 G HA2 0.205 4.165 3.960 -0.000 0.000 0.181 431 G HA3 0.205 4.165 3.960 -0.000 0.000 0.181 431 G C 0.044 174.944 174.900 0.000 0.000 1.309 431 G CA -0.198 44.903 45.100 0.000 0.000 1.009 431 G HN 0.418 nan 8.290 nan 0.000 0.584 432 Q N -0.555 119.245 119.800 0.000 0.000 2.402 432 Q HA 0.152 4.492 4.340 -0.000 0.000 0.206 432 Q C -0.055 175.946 176.000 0.000 0.000 0.919 432 Q CA 0.594 56.398 55.803 0.000 0.000 0.923 432 Q CB 0.236 28.974 28.738 0.000 0.000 1.048 432 Q HN 0.623 nan 8.270 nan 0.000 0.515 433 N N -2.091 116.609 118.700 0.000 0.000 3.039 433 N HA 0.078 4.818 4.740 -0.000 0.000 0.257 433 N C -0.116 175.394 175.510 0.001 0.000 1.497 433 N CA -0.614 52.436 53.050 0.000 0.000 0.861 433 N CB 0.457 38.944 38.487 0.000 0.000 1.479 433 N HN -0.360 nan 8.380 nan 0.000 0.547 434 E N -0.221 119.980 120.200 0.001 0.000 2.153 434 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 434 E C 0.275 176.875 176.600 0.001 0.000 0.988 434 E CA 1.091 57.492 56.400 0.001 0.000 0.811 434 E CB -0.263 29.437 29.700 0.001 0.000 0.746 434 E HN 0.559 nan 8.360 nan 0.000 0.466 435 D N 0.505 120.906 120.400 0.001 0.000 2.097 435 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 435 D C 1.959 178.260 176.300 0.002 0.000 0.989 435 D CA 0.884 54.885 54.000 0.002 0.000 0.827 435 D CB -0.169 40.632 40.800 0.002 0.000 0.966 435 D HN 0.275 nan 8.370 nan 0.000 0.456 436 Q N 0.120 119.920 119.800 0.002 0.000 2.170 436 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 436 Q C 1.823 177.824 176.000 0.001 0.000 0.976 436 Q CA 0.731 56.535 55.803 0.001 0.000 0.858 436 Q CB 0.063 28.801 28.738 0.001 0.000 0.907 436 Q HN 0.248 nan 8.270 nan 0.000 0.433 437 N N -0.208 118.493 118.700 0.001 0.000 2.142 437 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 437 N C 1.843 177.354 175.510 0.002 0.000 1.023 437 N CA 0.997 54.048 53.050 0.002 0.000 0.852 437 N CB -0.228 38.260 38.487 0.001 0.000 0.998 437 N HN 0.060 nan 8.380 nan 0.000 0.424 438 V N 1.092 121.007 119.914 0.002 0.000 2.343 438 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 438 V C 2.493 178.589 176.094 0.003 0.000 1.051 438 V CA 2.019 64.320 62.300 0.002 0.000 1.036 438 V CB -1.286 30.538 31.823 0.002 0.000 0.654 438 V HN 0.327 nan 8.190 nan 0.000 0.451 439 G N 0.074 108.876 108.800 0.003 0.000 2.446 439 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 439 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 439 G C 1.569 176.470 174.900 0.003 0.000 1.168 439 G CA 1.227 46.329 45.100 0.003 0.000 0.771 439 G HN 0.489 nan 8.290 nan 0.000 0.551 440 I N 0.352 120.924 120.570 0.002 0.000 2.208 440 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 440 I C 2.696 178.815 176.117 0.003 0.000 1.097 440 I CA 1.138 62.440 61.300 0.002 0.000 1.363 440 I CB -0.149 37.853 38.000 0.002 0.000 1.051 440 I HN 0.041 nan 8.210 nan 0.000 0.413 441 K N 0.487 120.889 120.400 0.003 0.000 2.148 441 K HA -0.051 4.269 4.320 -0.000 0.000 0.204 441 K C 2.125 178.728 176.600 0.004 0.000 1.050 441 K CA 0.902 57.191 56.287 0.004 0.000 0.942 441 K CB -0.536 31.966 32.500 0.004 0.000 0.724 441 K HN 0.225 nan 8.250 nan 0.000 0.446 442 V N 1.630 121.546 119.914 0.004 0.000 2.295 442 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 442 V C 2.471 178.569 176.094 0.006 0.000 1.049 442 V CA 2.017 64.320 62.300 0.005 0.000 1.024 442 V CB -0.729 31.097 31.823 0.005 0.000 0.648 442 V HN 0.282 nan 8.190 nan 0.000 0.447 443 A N -0.238 122.585 122.820 0.005 0.000 1.873 443 A HA -0.133 4.186 4.320 -0.000 0.000 0.215 443 A C 2.191 179.779 177.584 0.007 0.000 1.186 443 A CA 1.721 53.762 52.037 0.006 0.000 0.616 443 A CB -0.570 18.432 19.000 0.004 0.000 0.823 443 A HN 0.489 nan 8.150 nan 0.000 0.442 444 L N -1.169 120.058 121.223 0.006 0.000 2.079 444 L HA -0.186 4.153 4.340 -0.000 0.000 0.210 444 L C 2.817 179.692 176.870 0.009 0.000 1.081 444 L CA 1.734 56.579 54.840 0.008 0.000 0.752 444 L CB -0.517 41.547 42.059 0.008 0.000 0.896 444 L HN 0.445 nan 8.230 nan 0.000 0.433 445 R N 0.262 120.767 120.500 0.007 0.000 2.075 445 R HA -0.145 4.194 4.340 -0.000 0.000 0.232 445 R C 2.392 178.696 176.300 0.007 0.000 1.126 445 R CA 1.333 57.437 56.100 0.007 0.000 0.963 445 R CB -0.197 30.106 30.300 0.005 0.000 0.858 445 R HN 0.338 nan 8.270 nan 0.000 0.435 446 A N 0.809 123.633 122.820 0.007 0.000 1.933 446 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 446 A C 2.085 179.674 177.584 0.009 0.000 1.175 446 A CA 1.453 53.495 52.037 0.008 0.000 0.628 446 A CB -0.441 18.565 19.000 0.009 0.000 0.814 446 A HN 0.346 nan 8.150 nan 0.000 0.444 447 M N -0.472 119.134 119.600 0.010 0.000 2.623 447 M HA -0.153 4.327 4.480 -0.000 0.000 0.258 447 M C 1.271 177.579 176.300 0.012 0.000 1.067 447 M CA 1.100 56.407 55.300 0.012 0.000 1.068 447 M CB -0.282 32.326 32.600 0.013 0.000 1.409 447 M HN 0.485 nan 8.290 nan 0.000 0.504 448 E N -0.306 119.900 120.200 0.010 0.000 2.452 448 E HA 0.077 4.427 4.350 -0.000 0.000 0.197 448 E C 2.027 178.629 176.600 0.005 0.000 1.022 448 E CA 0.297 56.702 56.400 0.008 0.000 0.890 448 E CB 0.164 29.867 29.700 0.006 0.000 0.918 448 E HN 0.484 nan 8.360 nan 0.000 0.496 449 A N 2.451 125.274 122.820 0.006 0.000 1.873 449 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 449 A C -0.333 177.254 177.584 0.004 0.000 1.193 449 A CA 1.388 53.427 52.037 0.004 0.000 0.629 449 A CB -1.457 17.547 19.000 0.006 0.000 0.826 449 A HN 0.119 nan 8.150 nan 0.000 0.447 450 P HA -0.174 nan 4.420 nan 0.000 0.214 450 P C 1.844 179.148 177.300 0.007 0.000 1.163 450 P CA 0.918 64.022 63.100 0.008 0.000 0.889 450 P CB -0.136 31.571 31.700 0.011 0.000 0.790 451 L N -0.736 120.492 121.223 0.007 0.000 1.989 451 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 451 L C 2.487 179.352 176.870 -0.009 0.000 1.071 451 L CA 1.916 56.760 54.840 0.005 0.000 0.749 451 L CB -0.416 41.645 42.059 0.004 0.000 0.890 451 L HN -0.108 nan 8.230 nan 0.000 0.431 452 R N -0.690 119.802 120.500 -0.014 0.000 2.103 452 R HA -0.274 4.066 4.340 -0.000 0.000 0.242 452 R C 2.244 178.534 176.300 -0.017 0.000 1.142 452 R CA 1.962 58.048 56.100 -0.023 0.000 0.960 452 R CB -0.336 29.954 30.300 -0.016 0.000 0.858 452 R HN 0.376 nan 8.270 nan 0.000 0.439 453 Q N 0.966 120.763 119.800 -0.006 0.000 2.079 453 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 453 Q C 1.852 177.853 176.000 0.002 0.000 0.974 453 Q CA 1.548 57.349 55.803 -0.002 0.000 0.840 453 Q CB -0.151 28.587 28.738 0.001 0.000 0.898 453 Q HN 0.357 nan 8.270 nan 0.000 0.430 454 I N -0.642 119.933 120.570 0.007 0.000 2.163 454 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 454 I C 2.033 178.167 176.117 0.029 0.000 1.085 454 I CA 1.062 62.374 61.300 0.020 0.000 1.347 454 I CB -0.324 37.695 38.000 0.032 0.000 1.044 454 I HN 0.078 nan 8.210 nan 0.000 0.408 455 V N 0.581 120.501 119.914 0.009 0.000 2.343 455 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 455 V C 2.370 178.457 176.094 -0.011 0.000 1.051 455 V CA 1.576 63.866 62.300 -0.017 0.000 1.036 455 V CB -0.499 31.250 31.823 -0.123 0.000 0.654 455 V HN 0.355 nan 8.190 nan 0.000 0.451 456 L N 0.765 121.980 121.223 -0.014 0.000 2.046 456 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 456 L C 2.178 179.049 176.870 0.002 0.000 1.077 456 L CA 1.906 56.741 54.840 -0.008 0.000 0.747 456 L CB -0.847 41.207 42.059 -0.008 0.000 0.896 456 L HN 0.305 nan 8.230 nan 0.000 0.432 457 N N -1.079 117.625 118.700 0.007 0.000 2.289 457 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 457 N C 1.723 177.242 175.510 0.015 0.000 1.016 457 N CA 1.580 54.635 53.050 0.009 0.000 0.872 457 N CB -0.665 37.828 38.487 0.009 0.000 0.973 457 N HN 0.433 nan 8.380 nan 0.000 0.433 458 C N -0.601 118.715 119.300 0.026 0.000 2.500 458 C HA 0.234 4.694 4.460 -0.000 0.000 0.273 458 C C 1.644 176.653 174.990 0.030 0.000 1.428 458 C CA 0.400 59.441 59.018 0.038 0.000 1.766 458 C CB -1.122 26.667 27.740 0.081 0.000 1.817 458 C HN 0.626 nan 8.230 nan 0.000 0.543 459 G N 0.880 109.691 108.800 0.018 0.000 2.132 459 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.228 459 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.228 459 G C -0.215 174.693 174.900 0.013 0.000 1.000 459 G CA 0.131 45.239 45.100 0.013 0.000 0.693 459 G HN 0.501 nan 8.290 nan 0.000 0.515 460 E N -0.026 120.177 120.200 0.006 0.000 2.285 460 E HA 0.462 4.812 4.350 -0.000 0.000 0.254 460 E C 0.038 176.618 176.600 -0.034 0.000 1.011 460 E CA -0.738 55.656 56.400 -0.011 0.000 0.873 460 E CB 0.702 30.384 29.700 -0.029 0.000 1.229 460 E HN 0.456 nan 8.360 nan 0.000 0.422 461 E N 1.517 121.689 120.200 -0.046 0.000 2.014 461 E HA 0.157 4.507 4.350 -0.000 0.000 0.275 461 E C -1.802 174.756 176.600 -0.069 0.000 0.997 461 E CA -1.679 54.694 56.400 -0.043 0.000 0.804 461 E CB 1.102 30.787 29.700 -0.025 0.000 1.090 461 E HN 0.113 nan 8.360 nan 0.000 0.401 462 P HA -0.240 nan 4.420 nan 0.000 0.215 462 P C 1.197 178.464 177.300 -0.054 0.000 1.163 462 P CA 1.277 64.336 63.100 -0.068 0.000 0.894 462 P CB 0.289 31.964 31.700 -0.041 0.000 0.791 463 S N -0.803 114.877 115.700 -0.034 0.000 2.374 463 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 463 S C 1.963 176.551 174.600 -0.020 0.000 1.037 463 S CA 1.647 59.834 58.200 -0.021 0.000 1.024 463 S CB -1.304 61.887 63.200 -0.014 0.000 0.861 463 S HN -0.031 nan 8.310 nan 0.000 0.456 464 V N 1.133 121.032 119.914 -0.026 0.000 2.283 464 V HA -0.101 4.019 4.120 -0.000 0.000 0.243 464 V C 2.324 178.413 176.094 -0.009 0.000 1.039 464 V CA 1.356 63.647 62.300 -0.015 0.000 1.016 464 V CB -0.860 30.957 31.823 -0.010 0.000 0.650 464 V HN 0.343 nan 8.190 nan 0.000 0.449 465 V N 0.586 120.461 119.914 -0.065 0.000 2.343 465 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 465 V C 2.762 178.849 176.094 -0.012 0.000 1.051 465 V CA 2.053 64.297 62.300 -0.093 0.000 1.036 465 V CB -1.218 30.324 31.823 -0.469 0.000 0.654 465 V HN 0.547 nan 8.190 nan 0.000 0.451 466 A N 0.390 123.190 122.820 -0.034 0.000 1.902 466 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 466 A C 2.079 179.681 177.584 0.031 0.000 1.181 466 A CA 2.337 54.375 52.037 0.001 0.000 0.623 466 A CB -0.856 18.138 19.000 -0.010 0.000 0.818 466 A HN 0.601 nan 8.150 nan 0.000 0.443 467 N N -0.644 118.069 118.700 0.021 0.000 2.120 467 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 467 N C 1.674 177.210 175.510 0.044 0.000 1.024 467 N CA 2.273 55.338 53.050 0.025 0.000 0.852 467 N CB -0.346 38.146 38.487 0.009 0.000 1.003 467 N HN 0.409 nan 8.380 nan 0.000 0.424 468 T N -0.656 113.933 114.554 0.057 0.000 2.812 468 T HA -0.029 4.321 4.350 -0.000 0.000 0.264 468 T C 1.954 176.771 174.700 0.194 0.000 1.042 468 T CA 1.053 63.191 62.100 0.064 0.000 1.140 468 T CB -0.358 68.477 68.868 -0.054 0.000 0.870 468 T HN 0.001 nan 8.240 nan 0.000 0.445 469 V N 1.642 121.687 119.914 0.218 0.000 2.343 469 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 469 V C 2.454 178.669 176.094 0.202 0.000 1.051 469 V CA 1.551 63.983 62.300 0.220 0.000 1.036 469 V CB -0.475 31.424 31.823 0.126 0.000 0.654 469 V HN 0.462 nan 8.190 nan 0.000 0.451 470 K N 0.119 120.594 120.400 0.126 0.000 2.148 470 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 470 K C 2.234 178.888 176.600 0.089 0.000 1.050 470 K CA 1.256 57.599 56.287 0.092 0.000 0.942 470 K CB -0.548 31.985 32.500 0.056 0.000 0.724 470 K HN 0.567 nan 8.250 nan 0.000 0.446 471 G N 1.205 110.058 108.800 0.090 0.000 2.432 471 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.219 471 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.219 471 G C 0.854 175.772 174.900 0.030 0.000 1.135 471 G CA 0.899 46.027 45.100 0.048 0.000 0.767 471 G HN 0.390 nan 8.290 nan 0.000 0.550 472 G N -0.220 108.638 108.800 0.096 0.000 2.531 472 G HA2 0.493 4.453 3.960 -0.000 0.000 0.253 472 G HA3 0.493 4.453 3.960 -0.000 0.000 0.253 472 G C -0.567 174.378 174.900 0.074 0.000 1.439 472 G CA 0.335 45.428 45.100 -0.013 0.000 1.056 472 G HN 0.421 nan 8.290 nan 0.000 0.555 473 D N -3.581 116.862 120.400 0.072 0.000 2.677 473 D HA 0.526 5.166 4.640 -0.000 0.000 0.298 473 D C 0.643 177.010 176.300 0.112 0.000 1.250 473 D CA 0.444 54.495 54.000 0.084 0.000 0.888 473 D CB 0.601 41.419 40.800 0.031 0.000 1.397 473 D HN 1.698 nan 8.370 nan 0.000 0.461 474 G N 0.500 109.349 108.800 0.083 0.000 2.550 474 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.277 474 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.277 474 G C -0.055 174.907 174.900 0.104 0.000 1.190 474 G CA 0.410 45.558 45.100 0.081 0.000 0.971 474 G HN 0.736 nan 8.290 nan 0.000 0.559 475 N N 0.067 118.832 118.700 0.108 0.000 2.451 475 N HA 0.373 5.113 4.740 -0.000 0.000 0.264 475 N C -0.275 175.318 175.510 0.138 0.000 1.167 475 N CA -0.079 53.030 53.050 0.098 0.000 0.898 475 N CB 0.369 38.894 38.487 0.064 0.000 1.176 475 N HN 0.548 nan 8.380 nan 0.000 0.507 476 Y N 0.914 121.249 120.300 0.057 0.000 2.393 476 Y HA 0.554 5.104 4.550 -0.000 0.000 0.338 476 Y C 0.683 176.652 175.900 0.116 0.000 1.029 476 Y CA -0.250 57.900 58.100 0.084 0.000 1.239 476 Y CB 0.093 38.600 38.460 0.078 0.000 1.170 476 Y HN 0.108 nan 8.280 nan 0.000 0.515 477 G N 4.137 112.699 108.800 -0.397 0.000 2.815 477 G HA2 0.252 4.212 3.960 -0.000 0.000 0.305 477 G HA3 0.252 4.212 3.960 -0.000 0.000 0.305 477 G C -2.410 172.324 174.900 -0.278 0.000 1.277 477 G CA -0.910 44.025 45.100 -0.275 0.000 0.795 477 G HN 0.532 nan 8.290 nan 0.000 0.528 478 Y N 1.607 121.703 120.300 -0.340 0.000 2.334 478 Y HA 0.520 5.070 4.550 -0.000 0.000 0.336 478 Y C -0.010 175.693 175.900 -0.329 0.000 0.960 478 Y CA -1.277 56.508 58.100 -0.524 0.000 1.164 478 Y CB 1.316 39.442 38.460 -0.556 0.000 1.155 478 Y HN 0.415 nan 8.280 nan 0.000 0.478 479 N N 4.974 123.260 118.700 -0.690 0.000 2.402 479 N HA 0.096 4.836 4.740 -0.000 0.000 0.259 479 N C 0.641 175.695 175.510 -0.760 0.000 1.167 479 N CA 0.695 53.432 53.050 -0.521 0.000 0.949 479 N CB 1.324 39.589 38.487 -0.370 0.000 1.212 479 N HN 0.941 nan 8.380 nan 0.000 0.493 480 A N 3.992 126.539 122.820 -0.456 0.000 2.019 480 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 480 A C 2.059 179.512 177.584 -0.220 0.000 1.164 480 A CA 1.675 53.542 52.037 -0.284 0.000 0.644 480 A CB -0.437 18.549 19.000 -0.024 0.000 0.805 480 A HN 0.724 nan 8.150 nan 0.000 0.449 481 A N -0.181 122.521 122.820 -0.197 0.000 1.832 481 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 481 A C 2.430 179.924 177.584 -0.150 0.000 1.200 481 A CA 2.466 54.423 52.037 -0.134 0.000 0.610 481 A CB -1.374 17.563 19.000 -0.106 0.000 0.842 481 A HN 0.805 nan 8.150 nan 0.000 0.444 482 T N -2.816 111.623 114.554 -0.191 0.000 3.088 482 T HA 0.120 4.470 4.350 -0.000 0.000 0.259 482 T C 0.313 174.884 174.700 -0.215 0.000 1.122 482 T CA 0.891 62.892 62.100 -0.165 0.000 1.095 482 T CB -0.478 68.304 68.868 -0.143 0.000 0.930 482 T HN 0.590 nan 8.240 nan 0.000 0.508 483 E N 1.214 121.182 120.200 -0.387 0.000 2.320 483 E HA -0.131 4.219 4.350 -0.000 0.000 0.234 483 E C -0.828 175.545 176.600 -0.378 0.000 1.183 483 E CA 0.406 56.517 56.400 -0.480 0.000 0.713 483 E CB -0.905 28.731 29.700 -0.107 0.000 1.226 483 E HN 0.661 nan 8.360 nan 0.000 0.382 484 E N -0.382 119.510 120.200 -0.513 0.000 2.356 484 E HA 0.350 4.700 4.350 -0.000 0.000 0.275 484 E C -0.670 175.740 176.600 -0.317 0.000 0.904 484 E CA -0.711 55.555 56.400 -0.223 0.000 0.757 484 E CB 1.032 30.677 29.700 -0.092 0.000 1.232 484 E HN 0.036 nan 8.360 nan 0.000 0.442 485 Y N 0.100 120.383 120.300 -0.028 0.000 2.334 485 Y HA 0.658 5.208 4.550 -0.000 0.000 0.325 485 Y C 1.290 177.178 175.900 -0.020 0.000 1.308 485 Y CA 0.562 58.623 58.100 -0.065 0.000 1.389 485 Y CB 1.420 39.891 38.460 0.018 0.000 1.328 485 Y HN 0.716 nan 8.280 nan 0.000 0.532 486 G N 0.244 109.111 108.800 0.112 0.000 2.352 486 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.283 486 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.283 486 G C -1.800 173.182 174.900 0.136 0.000 1.308 486 G CA -1.195 44.020 45.100 0.192 0.000 0.892 486 G HN 0.577 nan 8.290 nan 0.000 0.504 487 N N 1.063 119.841 118.700 0.129 0.000 2.411 487 N HA 0.158 4.898 4.740 -0.000 0.000 0.259 487 N C 1.768 177.298 175.510 0.033 0.000 1.103 487 N CA -0.510 52.599 53.050 0.100 0.000 0.954 487 N CB 0.819 39.361 38.487 0.090 0.000 1.085 487 N HN 0.393 nan 8.380 nan 0.000 0.485 488 M N 3.554 123.163 119.600 0.014 0.000 2.108 488 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 488 M C 1.653 177.951 176.300 -0.004 0.000 1.066 488 M CA 1.150 56.442 55.300 -0.014 0.000 1.107 488 M CB -0.600 31.991 32.600 -0.015 0.000 1.356 488 M HN 0.560 nan 8.290 nan 0.000 0.406 489 I N 0.260 120.837 120.570 0.013 0.000 2.202 489 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 489 I C 1.954 178.076 176.117 0.009 0.000 1.091 489 I CA 1.356 62.663 61.300 0.011 0.000 1.368 489 I CB -1.553 36.458 38.000 0.019 0.000 1.058 489 I HN 0.251 nan 8.210 nan 0.000 0.410 490 D N 0.799 121.208 120.400 0.015 0.000 2.149 490 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 490 D C 2.183 178.484 176.300 0.002 0.000 0.990 490 D CA 1.209 55.217 54.000 0.013 0.000 0.839 490 D CB -0.127 40.686 40.800 0.022 0.000 0.948 490 D HN 0.343 nan 8.370 nan 0.000 0.460 491 M N -0.405 119.192 119.600 -0.005 0.000 2.659 491 M HA 0.085 4.565 4.480 -0.000 0.000 0.243 491 M C 0.961 177.247 176.300 -0.024 0.000 1.111 491 M CA 0.495 55.782 55.300 -0.021 0.000 1.070 491 M CB 0.237 32.812 32.600 -0.040 0.000 1.525 491 M HN 0.020 nan 8.290 nan 0.000 0.517 492 G N 2.305 111.096 108.800 -0.015 0.000 2.246 492 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.273 492 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.273 492 G C -0.085 174.803 174.900 -0.020 0.000 1.055 492 G CA -0.097 44.995 45.100 -0.014 0.000 0.851 492 G HN 0.549 nan 8.290 nan 0.000 0.500 493 I N 0.540 121.096 120.570 -0.024 0.000 2.428 493 I HA 0.525 4.694 4.170 -0.000 0.000 0.279 493 I C 0.084 176.191 176.117 -0.016 0.000 1.040 493 I CA -0.894 60.389 61.300 -0.028 0.000 1.171 493 I CB 0.710 38.681 38.000 -0.049 0.000 1.312 493 I HN 0.220 nan 8.210 nan 0.000 0.470 494 L N 3.389 124.607 121.223 -0.008 0.000 2.479 494 L HA 0.781 5.121 4.340 -0.000 0.000 0.255 494 L C -1.402 175.470 176.870 0.003 0.000 1.026 494 L CA -0.706 54.134 54.840 -0.000 0.000 0.842 494 L CB 1.632 43.694 42.059 0.003 0.000 1.444 494 L HN 0.055 nan 8.230 nan 0.000 0.409 495 D N -0.325 120.080 120.400 0.008 0.000 2.575 495 D HA 0.493 5.133 4.640 -0.000 0.000 0.236 495 D C -2.798 173.511 176.300 0.015 0.000 1.075 495 D CA -1.288 52.719 54.000 0.012 0.000 0.860 495 D CB 2.448 43.255 40.800 0.012 0.000 1.475 495 D HN 0.368 nan 8.370 nan 0.000 0.474 496 P HA 0.058 nan 4.420 nan 0.000 0.267 496 P C 0.867 178.180 177.300 0.021 0.000 1.209 496 P CA 0.153 63.266 63.100 0.021 0.000 0.763 496 P CB 0.546 32.261 31.700 0.026 0.000 0.816 497 T N 2.640 117.206 114.554 0.020 0.000 2.760 497 T HA -0.247 4.103 4.350 -0.000 0.000 0.269 497 T C 1.603 176.315 174.700 0.021 0.000 1.047 497 T CA 1.441 63.553 62.100 0.019 0.000 1.139 497 T CB -0.284 68.595 68.868 0.017 0.000 0.855 497 T HN 0.503 nan 8.240 nan 0.000 0.471 498 K N 0.469 120.884 120.400 0.024 0.000 2.097 498 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 498 K C 2.372 178.995 176.600 0.037 0.000 1.049 498 K CA 1.053 57.358 56.287 0.030 0.000 0.933 498 K CB -0.380 32.139 32.500 0.033 0.000 0.717 498 K HN 0.243 nan 8.250 nan 0.000 0.442 499 V N 0.755 120.690 119.914 0.034 0.000 2.358 499 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 499 V C 1.728 177.846 176.094 0.039 0.000 1.047 499 V CA 2.465 64.787 62.300 0.037 0.000 1.035 499 V CB -0.369 31.470 31.823 0.026 0.000 0.658 499 V HN 0.440 nan 8.190 nan 0.000 0.452 500 T N 0.241 114.813 114.554 0.030 0.000 2.777 500 T HA -0.178 4.172 4.350 -0.000 0.000 0.266 500 T C 1.942 176.660 174.700 0.029 0.000 1.040 500 T CA 1.928 64.044 62.100 0.028 0.000 1.141 500 T CB -0.329 68.551 68.868 0.021 0.000 0.868 500 T HN 0.546 nan 8.240 nan 0.000 0.444 501 R N 0.857 121.372 120.500 0.024 0.000 2.073 501 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 501 R C 2.559 178.868 176.300 0.015 0.000 1.134 501 R CA 1.775 57.883 56.100 0.013 0.000 0.952 501 R CB -0.344 29.959 30.300 0.006 0.000 0.850 501 R HN 0.217 nan 8.270 nan 0.000 0.433 502 S N 0.371 116.102 115.700 0.053 0.000 2.368 502 S HA -0.095 4.374 4.470 -0.000 0.000 0.224 502 S C 1.962 176.681 174.600 0.198 0.000 1.029 502 S CA 1.039 59.313 58.200 0.124 0.000 0.988 502 S CB -0.181 63.148 63.200 0.214 0.000 0.838 502 S HN 0.572 nan 8.310 nan 0.000 0.462 503 A N 1.464 124.363 122.820 0.131 0.000 1.883 503 A HA -0.086 4.233 4.320 -0.000 0.000 0.217 503 A C 2.134 179.775 177.584 0.095 0.000 1.186 503 A CA 1.518 53.625 52.037 0.116 0.000 0.624 503 A CB -0.775 18.263 19.000 0.063 0.000 0.822 503 A HN 0.421 nan 8.150 nan 0.000 0.444 504 L N -0.191 121.063 121.223 0.052 0.000 2.027 504 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 504 L C 2.505 179.378 176.870 0.004 0.000 1.074 504 L CA 2.377 57.232 54.840 0.026 0.000 0.745 504 L CB -0.828 41.237 42.059 0.010 0.000 0.898 504 L HN 0.516 nan 8.230 nan 0.000 0.433 505 Q N -1.868 117.907 119.800 -0.042 0.000 2.124 505 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 505 Q C 2.142 178.048 176.000 -0.156 0.000 0.977 505 Q CA 1.927 57.651 55.803 -0.133 0.000 0.850 505 Q CB -0.295 28.302 28.738 -0.235 0.000 0.901 505 Q HN 0.516 nan 8.270 nan 0.000 0.429 506 Y N 0.167 120.466 120.300 -0.002 0.000 2.263 506 Y HA -0.141 4.409 4.550 -0.000 0.000 0.292 506 Y C 2.326 178.225 175.900 -0.002 0.000 1.130 506 Y CA 0.909 59.007 58.100 -0.003 0.000 1.179 506 Y CB -0.506 37.951 38.460 -0.006 0.000 0.998 506 Y HN 0.127 nan 8.280 nan 0.000 0.532 507 A N 0.040 122.946 122.820 0.143 0.000 1.858 507 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 507 A C 2.468 180.083 177.584 0.052 0.000 1.190 507 A CA 1.886 53.972 52.037 0.082 0.000 0.617 507 A CB -1.343 17.691 19.000 0.057 0.000 0.827 507 A HN 0.368 nan 8.150 nan 0.000 0.443 508 A N -0.783 122.055 122.820 0.029 0.000 1.986 508 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 508 A C 2.440 180.031 177.584 0.011 0.000 1.171 508 A CA 2.319 54.363 52.037 0.011 0.000 0.640 508 A CB -0.876 18.119 19.000 -0.007 0.000 0.811 508 A HN 0.579 nan 8.150 nan 0.000 0.451 509 S N -1.039 114.671 115.700 0.016 0.000 2.338 509 S HA -0.126 4.344 4.470 -0.000 0.000 0.218 509 S C 1.972 176.595 174.600 0.040 0.000 1.032 509 S CA 1.592 59.805 58.200 0.021 0.000 0.999 509 S CB -0.598 62.620 63.200 0.030 0.000 0.905 509 S HN 0.566 nan 8.310 nan 0.000 0.439 510 V N 1.889 121.840 119.914 0.061 0.000 2.490 510 V HA -0.015 4.105 4.120 -0.000 0.000 0.250 510 V C 2.544 178.658 176.094 0.033 0.000 1.061 510 V CA 2.018 64.347 62.300 0.049 0.000 1.064 510 V CB -1.053 30.802 31.823 0.052 0.000 0.670 510 V HN 0.587 nan 8.190 nan 0.000 0.461 511 A N 0.094 122.932 122.820 0.031 0.000 1.877 511 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 511 A C 2.387 179.982 177.584 0.018 0.000 1.186 511 A CA 1.870 53.920 52.037 0.023 0.000 0.620 511 A CB -1.448 17.564 19.000 0.020 0.000 0.822 511 A HN 0.646 nan 8.150 nan 0.000 0.443 512 G N -0.218 108.592 108.800 0.017 0.000 2.422 512 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 512 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 512 G C 1.555 176.464 174.900 0.015 0.000 1.146 512 G CA 1.049 46.157 45.100 0.013 0.000 0.769 512 G HN 0.431 nan 8.290 nan 0.000 0.547 513 L N -0.339 120.895 121.223 0.019 0.000 2.056 513 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 513 L C 3.110 179.992 176.870 0.020 0.000 1.078 513 L CA 0.997 55.849 54.840 0.020 0.000 0.749 513 L CB -0.334 41.739 42.059 0.023 0.000 0.901 513 L HN 0.238 nan 8.230 nan 0.000 0.433 514 M N -0.545 119.067 119.600 0.021 0.000 2.132 514 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 514 M C 2.279 178.590 176.300 0.018 0.000 1.065 514 M CA 1.755 57.067 55.300 0.020 0.000 1.122 514 M CB -0.299 32.313 32.600 0.021 0.000 1.365 514 M HN 0.196 nan 8.290 nan 0.000 0.411 515 I N 0.018 120.598 120.570 0.017 0.000 2.454 515 I HA -0.206 3.964 4.170 -0.000 0.000 0.254 515 I C 1.565 177.692 176.117 0.016 0.000 1.156 515 I CA 1.351 62.660 61.300 0.015 0.000 1.433 515 I CB -0.560 37.447 38.000 0.013 0.000 1.082 515 I HN 0.390 nan 8.210 nan 0.000 0.432 516 T N -3.039 111.525 114.554 0.017 0.000 3.258 516 T HA 0.197 4.546 4.350 -0.000 0.000 0.263 516 T C 0.360 175.074 174.700 0.024 0.000 0.983 516 T CA -0.362 61.750 62.100 0.019 0.000 0.907 516 T CB -0.304 68.574 68.868 0.017 0.000 1.096 516 T HN -0.085 nan 8.240 nan 0.000 0.556 517 T N 1.906 116.474 114.554 0.024 0.000 2.795 517 T HA 0.397 4.747 4.350 -0.000 0.000 0.282 517 T C 0.443 175.164 174.700 0.035 0.000 0.980 517 T CA -0.601 61.515 62.100 0.027 0.000 1.012 517 T CB 1.830 70.712 68.868 0.022 0.000 0.936 517 T HN 0.087 nan 8.240 nan 0.000 0.457 518 E N 0.462 120.692 120.200 0.050 0.000 2.514 518 E HA 0.186 4.536 4.350 -0.000 0.000 0.215 518 E C -0.073 176.591 176.600 0.106 0.000 0.946 518 E CA 0.092 56.545 56.400 0.089 0.000 1.038 518 E CB 0.842 30.609 29.700 0.112 0.000 1.069 518 E HN 0.569 nan 8.360 nan 0.000 0.503 519 C N 0.747 120.055 119.300 0.014 0.000 2.782 519 C HA 0.672 5.132 4.460 -0.000 0.000 0.328 519 C C -1.319 173.592 174.990 -0.131 0.000 1.145 519 C CA -0.578 58.344 59.018 -0.160 0.000 1.358 519 C CB 0.394 28.042 27.740 -0.154 0.000 1.841 519 C HN 0.116 nan 8.230 nan 0.000 0.477 520 M N 5.188 124.688 119.600 -0.167 0.000 2.326 520 M HA 0.609 5.089 4.480 -0.000 0.000 0.306 520 M C -1.096 175.255 176.300 0.086 0.000 1.054 520 M CA -0.583 54.734 55.300 0.029 0.000 0.922 520 M CB 2.132 34.860 32.600 0.214 0.000 1.632 520 M HN 0.384 nan 8.290 nan 0.000 0.436 521 V N 1.374 121.317 119.914 0.048 0.000 2.487 521 V HA 0.758 4.878 4.120 -0.000 0.000 0.298 521 V C -0.347 175.708 176.094 -0.065 0.000 1.028 521 V CA -0.409 61.899 62.300 0.012 0.000 0.860 521 V CB 1.982 33.790 31.823 -0.024 0.000 0.991 521 V HN 0.948 nan 8.190 nan 0.000 0.427 522 T N 2.249 116.721 114.554 -0.136 0.000 2.843 522 T HA 0.428 4.778 4.350 -0.000 0.000 0.302 522 T C -1.128 173.470 174.700 -0.170 0.000 1.232 522 T CA -0.553 61.401 62.100 -0.242 0.000 1.009 522 T CB 1.809 70.358 68.868 -0.531 0.000 1.254 522 T HN 0.695 nan 8.240 nan 0.000 0.504 523 D N 1.482 121.795 120.400 -0.145 0.000 2.382 523 D HA 0.342 4.982 4.640 -0.000 0.000 0.240 523 D C -0.137 176.109 176.300 -0.091 0.000 1.146 523 D CA -0.176 53.769 54.000 -0.092 0.000 0.897 523 D CB 0.367 41.123 40.800 -0.074 0.000 1.197 523 D HN 0.187 nan 8.370 nan 0.000 0.432 524 L N 3.740 124.936 121.223 -0.045 0.000 2.416 524 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 524 L C -1.169 175.683 176.870 -0.031 0.000 1.161 524 L CA -1.340 53.487 54.840 -0.022 0.000 0.845 524 L CB 0.481 42.539 42.059 -0.001 0.000 1.119 524 L HN 0.420 nan 8.230 nan 0.000 0.464 525 P HA -0.138 nan 4.420 nan 0.000 0.229 525 P C -0.036 177.255 177.300 -0.015 0.000 1.150 525 P CA 1.046 64.132 63.100 -0.024 0.000 0.765 525 P CB 0.155 31.849 31.700 -0.009 0.000 0.783 526 K N 0.000 120.394 120.400 -0.009 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 526 K CB 0.000 32.500 32.500 -0.001 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543