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 3fbh_1_N 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 QNKDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 2.628 125.448 122.820 -0.000 0.000 2.488 3 A HA 0.563 4.883 4.320 -0.000 0.000 0.249 3 A C 0.188 177.774 177.584 0.003 0.000 1.083 3 A CA 0.221 52.261 52.037 0.006 0.000 0.768 3 A CB 0.049 19.055 19.000 0.010 0.000 1.017 3 A HN 0.568 nan 8.150 nan 0.000 0.496 4 K N 1.946 122.353 120.400 0.011 0.000 2.164 4 K HA 0.328 4.648 4.320 -0.000 0.000 0.258 4 K C -1.142 175.480 176.600 0.037 0.000 0.951 4 K CA -0.640 55.651 56.287 0.007 0.000 0.844 4 K CB 1.981 34.482 32.500 0.002 0.000 1.099 4 K HN 0.802 nan 8.250 nan 0.000 0.435 5 D N 1.322 121.751 120.400 0.048 0.000 2.177 5 D HA 0.366 5.006 4.640 -0.000 0.000 0.247 5 D C -1.115 175.319 176.300 0.223 0.000 1.063 5 D CA -0.521 53.563 54.000 0.141 0.000 0.867 5 D CB 1.175 42.099 40.800 0.207 0.000 1.168 5 D HN 0.064 nan 8.370 nan 0.000 0.445 6 V N 3.672 123.697 119.914 0.185 0.000 2.709 6 V HA 0.488 4.608 4.120 -0.000 0.000 0.308 6 V C -0.055 175.981 176.094 -0.097 0.000 1.062 6 V CA -0.875 61.462 62.300 0.063 0.000 0.901 6 V CB 2.033 33.822 31.823 -0.058 0.000 1.003 6 V HN 0.481 nan 8.190 nan 0.000 0.425 7 K N 2.740 122.952 120.400 -0.313 0.000 2.395 7 K HA 0.796 5.116 4.320 -0.000 0.000 0.247 7 K C -1.685 174.583 176.600 -0.553 0.000 0.973 7 K CA -0.589 55.460 56.287 -0.397 0.000 0.828 7 K CB 2.636 34.761 32.500 -0.626 0.000 1.272 7 K HN 0.452 nan 8.250 nan 0.000 0.439 8 F N -0.445 119.456 119.950 -0.081 0.000 2.611 8 F HA 0.432 4.959 4.527 -0.000 0.000 0.324 8 F C 1.197 176.969 175.800 -0.047 0.000 1.061 8 F CA 0.042 58.017 58.000 -0.042 0.000 0.954 8 F CB 1.676 40.661 39.000 -0.025 0.000 1.301 8 F HN 0.815 nan 8.300 nan 0.000 0.482 9 G N 1.596 110.504 108.800 0.180 0.000 2.672 9 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.324 9 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.324 9 G C 1.163 176.086 174.900 0.039 0.000 1.286 9 G CA 0.848 46.005 45.100 0.094 0.000 1.004 9 G HN 0.777 nan 8.290 nan 0.000 0.548 10 N N 0.634 119.349 118.700 0.026 0.000 2.188 10 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 10 N C 1.878 177.380 175.510 -0.015 0.000 1.018 10 N CA 1.954 55.007 53.050 0.005 0.000 0.858 10 N CB -0.329 38.160 38.487 0.004 0.000 0.989 10 N HN 0.551 nan 8.380 nan 0.000 0.426 11 D N 0.636 121.024 120.400 -0.020 0.000 2.154 11 D HA -0.167 4.473 4.640 -0.000 0.000 0.190 11 D C 1.763 177.995 176.300 -0.112 0.000 1.003 11 D CA 1.855 55.818 54.000 -0.061 0.000 0.849 11 D CB -0.345 40.420 40.800 -0.058 0.000 0.942 11 D HN 0.375 nan 8.370 nan 0.000 0.446 12 A N 0.256 123.007 122.820 -0.116 0.000 1.873 12 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 12 A C 2.318 179.870 177.584 -0.052 0.000 1.186 12 A CA 1.519 53.474 52.037 -0.137 0.000 0.616 12 A CB -0.504 18.428 19.000 -0.113 0.000 0.823 12 A HN 0.235 nan 8.150 nan 0.000 0.442 13 R N -0.185 120.301 120.500 -0.024 0.000 2.127 13 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 13 R C 2.054 178.352 176.300 -0.004 0.000 1.134 13 R CA 1.616 57.714 56.100 -0.003 0.000 0.975 13 R CB -0.715 29.587 30.300 0.003 0.000 0.865 13 R HN 0.621 nan 8.270 nan 0.000 0.447 14 V N -0.923 118.981 119.914 -0.016 0.000 2.515 14 V HA -0.132 3.988 4.120 -0.000 0.000 0.250 14 V C 1.916 178.008 176.094 -0.004 0.000 1.058 14 V CA 1.342 63.635 62.300 -0.012 0.000 1.064 14 V CB -0.342 31.470 31.823 -0.019 0.000 0.675 14 V HN 0.083 nan 8.190 nan 0.000 0.461 15 K N 0.014 120.408 120.400 -0.010 0.000 2.031 15 K HA 0.073 4.393 4.320 -0.000 0.000 0.205 15 K C 2.255 178.886 176.600 0.051 0.000 1.049 15 K CA 1.732 58.034 56.287 0.025 0.000 0.939 15 K CB -0.439 32.082 32.500 0.035 0.000 0.717 15 K HN 0.471 nan 8.250 nan 0.000 0.438 16 M N 0.597 120.227 119.600 0.050 0.000 2.082 16 M HA -0.218 4.262 4.480 -0.000 0.000 0.258 16 M C 2.301 178.620 176.300 0.031 0.000 1.069 16 M CA 1.372 56.701 55.300 0.047 0.000 1.102 16 M CB -0.389 32.236 32.600 0.041 0.000 1.336 16 M HN 0.045 nan 8.290 nan 0.000 0.404 17 L N 0.335 121.572 121.223 0.022 0.000 2.046 17 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 17 L C 2.441 179.321 176.870 0.016 0.000 1.077 17 L CA 1.904 56.754 54.840 0.017 0.000 0.747 17 L CB -0.711 41.355 42.059 0.012 0.000 0.896 17 L HN 0.148 nan 8.230 nan 0.000 0.432 18 R N -0.095 120.416 120.500 0.017 0.000 2.080 18 R HA -0.108 4.232 4.340 -0.000 0.000 0.236 18 R C 2.205 178.516 176.300 0.020 0.000 1.137 18 R CA 1.904 58.014 56.100 0.017 0.000 0.943 18 R CB -1.433 28.878 30.300 0.019 0.000 0.846 18 R HN 0.461 nan 8.270 nan 0.000 0.431 19 G N 0.201 109.017 108.800 0.027 0.000 2.628 19 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.217 19 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.217 19 G C 1.537 176.447 174.900 0.017 0.000 1.240 19 G CA 2.178 47.293 45.100 0.025 0.000 0.792 19 G HN 0.438 nan 8.290 nan 0.000 0.593 20 V N -0.061 119.864 119.914 0.017 0.000 2.380 20 V HA -0.259 3.861 4.120 -0.000 0.000 0.251 20 V C 2.347 178.448 176.094 0.011 0.000 1.063 20 V CA 2.531 64.839 62.300 0.013 0.000 1.055 20 V CB -0.771 31.061 31.823 0.015 0.000 0.657 20 V HN 0.289 nan 8.190 nan 0.000 0.455 21 N N 1.004 119.711 118.700 0.011 0.000 2.104 21 N HA -0.115 4.625 4.740 -0.000 0.000 0.190 21 N C 1.840 177.354 175.510 0.007 0.000 1.024 21 N CA 1.954 55.009 53.050 0.009 0.000 0.853 21 N CB -0.684 37.808 38.487 0.009 0.000 1.008 21 N HN 0.554 nan 8.380 nan 0.000 0.424 22 V N 1.770 121.688 119.914 0.007 0.000 2.220 22 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 22 V C 2.465 178.560 176.094 0.003 0.000 1.049 22 V CA 1.320 63.623 62.300 0.005 0.000 1.003 22 V CB -0.859 30.967 31.823 0.005 0.000 0.634 22 V HN 0.191 nan 8.190 nan 0.000 0.444 23 L N 1.111 122.335 121.223 0.003 0.000 1.978 23 L HA -0.235 4.105 4.340 -0.000 0.000 0.218 23 L C 2.462 179.332 176.870 0.000 0.000 1.075 23 L CA 2.702 57.542 54.840 0.000 0.000 0.767 23 L CB -1.351 40.709 42.059 0.001 0.000 0.890 23 L HN 0.276 nan 8.230 nan 0.000 0.434 24 A N -0.973 121.849 122.820 0.003 0.000 1.883 24 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 24 A C 1.975 179.560 177.584 0.003 0.000 1.186 24 A CA 1.962 54.001 52.037 0.004 0.000 0.624 24 A CB -0.935 18.069 19.000 0.006 0.000 0.822 24 A HN 0.588 nan 8.150 nan 0.000 0.444 25 D N 0.024 120.425 120.400 0.003 0.000 2.144 25 D HA 0.018 4.658 4.640 -0.000 0.000 0.200 25 D C 2.219 178.520 176.300 0.001 0.000 0.978 25 D CA 1.365 55.366 54.000 0.002 0.000 0.833 25 D CB -0.535 40.267 40.800 0.003 0.000 0.961 25 D HN 0.417 nan 8.370 nan 0.000 0.470 26 A N 0.621 123.441 122.820 -0.001 0.000 1.873 26 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 26 A C 2.467 180.049 177.584 -0.003 0.000 1.193 26 A CA 1.886 53.922 52.037 -0.002 0.000 0.629 26 A CB -0.820 18.178 19.000 -0.004 0.000 0.826 26 A HN 0.178 nan 8.150 nan 0.000 0.447 27 V N 1.178 121.090 119.914 -0.003 0.000 2.407 27 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 27 V C 2.468 178.560 176.094 -0.003 0.000 1.041 27 V CA 2.070 64.367 62.300 -0.005 0.000 1.040 27 V CB -0.798 31.022 31.823 -0.005 0.000 0.671 27 V HN 0.846 nan 8.190 nan 0.000 0.455 28 K N 1.823 122.222 120.400 -0.000 0.000 2.280 28 K HA -0.123 4.197 4.320 -0.000 0.000 0.202 28 K C 1.848 178.449 176.600 0.001 0.000 1.047 28 K CA 1.805 58.093 56.287 0.001 0.000 0.942 28 K CB -0.777 31.725 32.500 0.003 0.000 0.739 28 K HN 0.493 nan 8.250 nan 0.000 0.457 29 V N -0.016 119.898 119.914 0.000 0.000 2.759 29 V HA -0.155 3.965 4.120 -0.000 0.000 0.256 29 V C 2.253 178.346 176.094 -0.001 0.000 1.080 29 V CA 1.777 64.077 62.300 0.000 0.000 1.101 29 V CB -1.123 30.700 31.823 -0.000 0.000 0.698 29 V HN 0.576 nan 8.190 nan 0.000 0.477 30 T N -2.572 111.981 114.554 -0.003 0.000 3.044 30 T HA 0.263 4.613 4.350 -0.000 0.000 0.250 30 T C 0.569 175.266 174.700 -0.005 0.000 1.081 30 T CA -0.103 61.994 62.100 -0.005 0.000 1.040 30 T CB -0.096 68.767 68.868 -0.007 0.000 0.962 30 T HN 0.338 nan 8.240 nan 0.000 0.506 31 L N 2.448 123.669 121.223 -0.003 0.000 2.461 31 L HA 0.555 4.895 4.340 -0.000 0.000 0.272 31 L C 0.864 177.733 176.870 -0.002 0.000 1.197 31 L CA 1.693 56.531 54.840 -0.002 0.000 0.836 31 L CB -0.223 41.837 42.059 0.001 0.000 1.105 31 L HN 0.715 nan 8.230 nan 0.000 0.477 32 G N 3.768 112.565 108.800 -0.005 0.000 2.660 32 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.247 32 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.247 32 G C -2.153 172.737 174.900 -0.015 0.000 1.328 32 G CA -0.306 44.789 45.100 -0.009 0.000 0.884 32 G HN 0.552 nan 8.290 nan 0.000 0.531 33 P HA 0.154 nan 4.420 nan 0.000 0.217 33 P C 0.994 178.282 177.300 -0.020 0.000 1.154 33 P CA 0.983 64.067 63.100 -0.028 0.000 0.841 33 P CB 0.163 31.836 31.700 -0.045 0.000 0.790 34 K N 0.905 121.296 120.400 -0.014 0.000 3.173 34 K HA 0.311 4.631 4.320 -0.000 0.000 0.255 34 K C 0.724 177.323 176.600 -0.002 0.000 1.235 34 K CA -0.048 56.236 56.287 -0.006 0.000 1.250 34 K CB -0.247 32.253 32.500 0.001 0.000 1.382 34 K HN 0.079 nan 8.250 nan 0.000 0.421 35 G N 0.824 109.621 108.800 -0.005 0.000 2.448 35 G HA2 0.296 4.256 3.960 -0.000 0.000 0.285 35 G HA3 0.296 4.256 3.960 -0.000 0.000 0.285 35 G C -0.131 174.767 174.900 -0.004 0.000 1.176 35 G CA -0.560 44.538 45.100 -0.003 0.000 0.852 35 G HN 0.126 nan 8.290 nan 0.000 0.530 36 R N 0.648 121.147 120.500 -0.002 0.000 2.540 36 R HA 0.199 4.539 4.340 -0.000 0.000 0.287 36 R C -0.108 176.189 176.300 -0.003 0.000 0.980 36 R CA -0.735 55.364 56.100 -0.002 0.000 0.966 36 R CB 1.198 31.497 30.300 -0.001 0.000 1.106 36 R HN 0.643 nan 8.270 nan 0.000 0.480 37 N N -0.017 118.681 118.700 -0.003 0.000 2.492 37 N HA 0.120 4.860 4.740 -0.000 0.000 0.262 37 N C -0.772 174.736 175.510 -0.004 0.000 1.202 37 N CA 0.099 53.147 53.050 -0.004 0.000 0.926 37 N CB 0.812 39.297 38.487 -0.003 0.000 1.078 37 N HN 0.126 nan 8.380 nan 0.000 0.454 38 V N 2.590 122.501 119.914 -0.005 0.000 2.483 38 V HA 0.227 4.347 4.120 -0.000 0.000 0.297 38 V C -0.304 175.787 176.094 -0.005 0.000 1.027 38 V CA -0.842 61.455 62.300 -0.005 0.000 0.855 38 V CB 1.770 33.589 31.823 -0.006 0.000 0.995 38 V HN 0.331 nan 8.190 nan 0.000 0.424 39 V N 6.824 126.735 119.914 -0.005 0.000 2.339 39 V HA 0.327 4.447 4.120 -0.000 0.000 0.261 39 V C 0.045 176.136 176.094 -0.006 0.000 1.058 39 V CA -0.216 62.082 62.300 -0.004 0.000 0.897 39 V CB 0.814 32.635 31.823 -0.004 0.000 1.052 39 V HN 0.627 nan 8.190 nan 0.000 0.480 40 L N 4.108 125.328 121.223 -0.006 0.000 2.260 40 L HA 0.402 4.742 4.340 -0.000 0.000 0.289 40 L C 0.393 177.258 176.870 -0.007 0.000 1.057 40 L CA -0.422 54.414 54.840 -0.007 0.000 0.811 40 L CB 0.711 42.766 42.059 -0.007 0.000 1.184 40 L HN 0.476 nan 8.230 nan 0.000 0.429 41 D N 3.728 124.121 120.400 -0.012 0.000 2.443 41 D HA 0.085 4.725 4.640 -0.000 0.000 0.239 41 D C -0.370 175.921 176.300 -0.016 0.000 1.136 41 D CA 0.371 54.361 54.000 -0.015 0.000 0.879 41 D CB 0.773 41.558 40.800 -0.025 0.000 1.195 41 D HN 0.341 nan 8.370 nan 0.000 0.443 42 K N 1.183 121.577 120.400 -0.011 0.000 2.207 42 K HA 0.230 4.550 4.320 -0.000 0.000 0.255 42 K C 1.202 177.769 176.600 -0.054 0.000 0.941 42 K CA -0.586 55.698 56.287 -0.005 0.000 0.825 42 K CB 1.540 34.065 32.500 0.041 0.000 1.119 42 K HN 0.387 nan 8.250 nan 0.000 0.430 43 S N 1.520 117.141 115.700 -0.131 0.000 2.419 43 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 43 S C 0.374 174.697 174.600 -0.462 0.000 1.016 43 S CA 0.861 58.857 58.200 -0.340 0.000 0.974 43 S CB -0.302 62.594 63.200 -0.505 0.000 0.786 43 S HN 0.378 nan 8.310 nan 0.000 0.492 44 F N 1.896 121.844 119.950 -0.004 0.000 2.458 44 F HA 0.662 5.189 4.527 -0.000 0.000 0.336 44 F C 1.269 177.067 175.800 -0.004 0.000 1.114 44 F CA -0.128 57.870 58.000 -0.004 0.000 0.987 44 F CB 1.260 40.258 39.000 -0.003 0.000 1.130 44 F HN 0.367 nan 8.300 nan 0.000 0.458 45 G N 1.521 110.428 108.800 0.179 0.000 2.528 45 G HA2 0.058 4.018 3.960 -0.000 0.000 0.262 45 G HA3 0.058 4.018 3.960 -0.000 0.000 0.262 45 G C -0.514 174.420 174.900 0.057 0.000 1.200 45 G CA -0.399 44.761 45.100 0.101 0.000 0.951 45 G HN 1.177 nan 8.290 nan 0.000 0.566 46 A N 1.215 124.061 122.820 0.044 0.000 2.304 46 A HA 0.799 5.119 4.320 -0.000 0.000 0.301 46 A C -1.819 175.779 177.584 0.023 0.000 1.132 46 A CA -0.510 51.543 52.037 0.026 0.000 0.819 46 A CB 0.608 19.620 19.000 0.020 0.000 1.094 46 A HN 0.677 nan 8.150 nan 0.000 0.492 47 P HA 0.319 nan 4.420 nan 0.000 0.275 47 P C -0.288 177.017 177.300 0.007 0.000 1.228 47 P CA -0.051 63.053 63.100 0.008 0.000 0.786 47 P CB 0.575 32.276 31.700 0.001 0.000 0.927 48 T N 2.253 116.811 114.554 0.006 0.000 2.897 48 T HA 0.431 4.781 4.350 -0.000 0.000 0.294 48 T C 0.408 175.109 174.700 0.001 0.000 1.004 48 T CA -0.120 61.983 62.100 0.004 0.000 1.106 48 T CB -0.008 68.863 68.868 0.004 0.000 0.949 48 T HN 0.176 nan 8.240 nan 0.000 0.520 49 I N 2.172 122.741 120.570 -0.000 0.000 2.382 49 I HA 0.454 4.624 4.170 -0.000 0.000 0.286 49 I C 0.314 176.429 176.117 -0.004 0.000 1.002 49 I CA -0.481 60.818 61.300 -0.002 0.000 1.135 49 I CB 1.807 39.806 38.000 -0.002 0.000 1.288 49 I HN 0.529 nan 8.210 nan 0.000 0.448 50 T N 4.444 118.995 114.554 -0.005 0.000 2.900 50 T HA 0.419 4.769 4.350 -0.000 0.000 0.295 50 T C 0.015 174.710 174.700 -0.008 0.000 1.044 50 T CA -0.615 61.480 62.100 -0.007 0.000 0.995 50 T CB 1.442 70.305 68.868 -0.009 0.000 1.072 50 T HN 0.624 nan 8.240 nan 0.000 0.473 51 K N 2.351 122.745 120.400 -0.009 0.000 2.593 51 K HA 0.211 4.531 4.320 -0.000 0.000 0.208 51 K C -0.737 175.856 176.600 -0.012 0.000 1.051 51 K CA -0.281 56.000 56.287 -0.010 0.000 1.111 51 K CB 0.415 32.909 32.500 -0.010 0.000 0.849 51 K HN 0.437 nan 8.250 nan 0.000 0.479 52 D N -0.438 119.953 120.400 -0.013 0.000 2.349 52 D HA 0.156 4.796 4.640 -0.000 0.000 0.232 52 D C 1.134 177.424 176.300 -0.017 0.000 1.071 52 D CA -0.354 53.636 54.000 -0.017 0.000 0.832 52 D CB 1.459 42.248 40.800 -0.019 0.000 1.086 52 D HN 0.159 nan 8.370 nan 0.000 0.504 53 G N 2.292 111.081 108.800 -0.018 0.000 2.448 53 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.219 53 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.219 53 G C 1.292 176.180 174.900 -0.021 0.000 1.127 53 G CA 0.863 45.952 45.100 -0.017 0.000 0.766 53 G HN 0.463 nan 8.290 nan 0.000 0.552 54 V N 0.840 120.739 119.914 -0.026 0.000 2.302 54 V HA -0.120 4.000 4.120 -0.000 0.000 0.243 54 V C 2.974 179.051 176.094 -0.027 0.000 1.036 54 V CA 1.914 64.196 62.300 -0.031 0.000 1.020 54 V CB -0.827 30.972 31.823 -0.040 0.000 0.657 54 V HN 0.327 nan 8.190 nan 0.000 0.453 55 S N 0.481 116.166 115.700 -0.025 0.000 2.380 55 S HA -0.222 4.248 4.470 -0.000 0.000 0.229 55 S C 1.987 176.576 174.600 -0.018 0.000 1.043 55 S CA 1.841 60.029 58.200 -0.021 0.000 1.038 55 S CB -0.417 62.773 63.200 -0.018 0.000 0.872 55 S HN 0.382 nan 8.310 nan 0.000 0.456 56 V N 1.854 121.758 119.914 -0.017 0.000 2.244 56 V HA -0.166 3.954 4.120 -0.000 0.000 0.244 56 V C 2.682 178.766 176.094 -0.016 0.000 1.042 56 V CA 1.627 63.918 62.300 -0.014 0.000 1.006 56 V CB -1.379 30.436 31.823 -0.012 0.000 0.641 56 V HN 0.551 nan 8.190 nan 0.000 0.446 57 A N -0.164 122.645 122.820 -0.017 0.000 1.997 57 A HA -0.328 3.992 4.320 -0.000 0.000 0.221 57 A C 2.408 179.979 177.584 -0.020 0.000 1.172 57 A CA 2.393 54.419 52.037 -0.018 0.000 0.645 57 A CB -0.700 18.288 19.000 -0.021 0.000 0.813 57 A HN 0.481 nan 8.150 nan 0.000 0.454 58 R N -0.659 119.827 120.500 -0.023 0.000 2.081 58 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 58 R C 1.619 177.906 176.300 -0.022 0.000 1.131 58 R CA 1.510 57.595 56.100 -0.025 0.000 0.960 58 R CB -0.167 30.116 30.300 -0.027 0.000 0.856 58 R HN 0.469 nan 8.270 nan 0.000 0.436 59 E N 0.417 120.606 120.200 -0.018 0.000 2.347 59 E HA -0.046 4.304 4.350 -0.000 0.000 0.196 59 E C 0.440 177.031 176.600 -0.015 0.000 1.008 59 E CA 0.231 56.621 56.400 -0.016 0.000 0.852 59 E CB 0.063 29.754 29.700 -0.014 0.000 0.783 59 E HN 0.291 nan 8.360 nan 0.000 0.505 60 I N 1.948 122.509 120.570 -0.015 0.000 2.598 60 I HA 0.030 4.200 4.170 -0.000 0.000 0.284 60 I C 0.413 176.521 176.117 -0.014 0.000 1.140 60 I CA 0.689 61.981 61.300 -0.013 0.000 1.420 60 I CB 0.026 38.019 38.000 -0.011 0.000 1.387 60 I HN -0.012 nan 8.210 nan 0.000 0.553 61 E N 6.308 126.501 120.200 -0.012 0.000 2.397 61 E HA 0.438 4.788 4.350 -0.000 0.000 0.293 61 E C -1.679 174.915 176.600 -0.011 0.000 0.930 61 E CA -0.566 55.826 56.400 -0.013 0.000 0.793 61 E CB 1.687 31.377 29.700 -0.016 0.000 1.259 61 E HN 0.424 nan 8.360 nan 0.000 0.406 62 L N 2.738 123.956 121.223 -0.009 0.000 2.416 62 L HA 0.435 4.775 4.340 -0.000 0.000 0.263 62 L C 1.489 178.354 176.870 -0.008 0.000 1.065 62 L CA -0.443 54.394 54.840 -0.005 0.000 0.798 62 L CB 1.028 43.089 42.059 0.004 0.000 1.267 62 L HN 0.717 nan 8.230 nan 0.000 0.467 63 E N -0.053 120.145 120.200 -0.003 0.000 2.127 63 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 63 E C 0.269 176.869 176.600 0.000 0.000 0.964 63 E CA 0.030 56.428 56.400 -0.004 0.000 0.832 63 E CB 0.359 30.059 29.700 -0.000 0.000 0.790 63 E HN 0.628 nan 8.360 nan 0.000 0.465 64 D N 1.461 121.872 120.400 0.019 0.000 2.342 64 D HA -0.053 4.587 4.640 -0.000 0.000 0.260 64 D C 0.812 177.128 176.300 0.027 0.000 1.278 64 D CA 0.007 54.035 54.000 0.046 0.000 0.910 64 D CB 0.876 41.722 40.800 0.076 0.000 1.079 64 D HN -0.014 nan 8.370 nan 0.000 0.496 65 K N 3.434 123.812 120.400 -0.036 0.000 2.049 65 K HA -0.231 4.088 4.320 -0.000 0.000 0.219 65 K C 1.922 178.415 176.600 -0.179 0.000 1.056 65 K CA 1.518 57.697 56.287 -0.180 0.000 0.946 65 K CB -0.584 31.688 32.500 -0.380 0.000 0.723 65 K HN 0.516 nan 8.250 nan 0.000 0.453 66 F N 1.529 121.466 119.950 -0.021 0.000 2.171 66 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 66 F C 2.379 178.168 175.800 -0.018 0.000 1.090 66 F CA 1.244 59.229 58.000 -0.024 0.000 1.293 66 F CB -0.370 38.614 39.000 -0.027 0.000 1.013 66 F HN 0.204 nan 8.300 nan 0.000 0.486 67 E N -0.349 119.949 120.200 0.163 0.000 2.152 67 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 67 E C 1.755 178.380 176.600 0.043 0.000 0.983 67 E CA 0.924 57.375 56.400 0.085 0.000 0.818 67 E CB -0.280 29.458 29.700 0.064 0.000 0.758 67 E HN 0.296 nan 8.360 nan 0.000 0.467 68 N N 0.995 119.707 118.700 0.020 0.000 2.106 68 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 68 N C 1.728 177.232 175.510 -0.010 0.000 1.029 68 N CA 1.250 54.296 53.050 -0.007 0.000 0.848 68 N CB -0.002 38.466 38.487 -0.032 0.000 1.007 68 N HN 0.050 nan 8.380 nan 0.000 0.423 69 M N -0.397 119.192 119.600 -0.019 0.000 2.082 69 M HA -0.102 4.378 4.480 -0.000 0.000 0.258 69 M C 2.189 178.494 176.300 0.008 0.000 1.069 69 M CA 1.935 57.224 55.300 -0.018 0.000 1.102 69 M CB -0.844 31.738 32.600 -0.029 0.000 1.336 69 M HN 0.303 nan 8.290 nan 0.000 0.404 70 G N -0.116 108.701 108.800 0.030 0.000 2.529 70 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 70 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 70 G C 1.594 176.504 174.900 0.017 0.000 1.177 70 G CA 1.283 46.400 45.100 0.029 0.000 0.773 70 G HN 0.580 nan 8.290 nan 0.000 0.573 71 A N -0.510 122.317 122.820 0.012 0.000 1.930 71 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 71 A C 2.419 180.003 177.584 -0.001 0.000 1.175 71 A CA 1.891 53.932 52.037 0.006 0.000 0.627 71 A CB -0.235 18.767 19.000 0.004 0.000 0.815 71 A HN 0.346 nan 8.150 nan 0.000 0.443 72 Q N -0.729 119.069 119.800 -0.004 0.000 2.137 72 Q HA 0.013 4.353 4.340 -0.000 0.000 0.198 72 Q C 2.152 178.148 176.000 -0.006 0.000 0.960 72 Q CA 1.044 56.841 55.803 -0.010 0.000 0.847 72 Q CB -0.474 28.254 28.738 -0.015 0.000 0.915 72 Q HN 0.749 nan 8.270 nan 0.000 0.448 73 M N 0.494 120.094 119.600 0.000 0.000 2.115 73 M HA -0.195 4.285 4.480 -0.000 0.000 0.258 73 M C 2.327 178.632 176.300 0.009 0.000 1.071 73 M CA 2.153 57.457 55.300 0.007 0.000 1.100 73 M CB -0.754 31.854 32.600 0.013 0.000 1.292 73 M HN 0.187 nan 8.290 nan 0.000 0.415 74 V N -1.606 118.314 119.914 0.011 0.000 2.626 74 V HA -0.218 3.902 4.120 -0.000 0.000 0.252 74 V C 2.119 178.211 176.094 -0.002 0.000 1.067 74 V CA 1.968 64.275 62.300 0.012 0.000 1.081 74 V CB -1.047 30.785 31.823 0.014 0.000 0.686 74 V HN 0.473 nan 8.190 nan 0.000 0.468 75 K N 0.543 120.938 120.400 -0.008 0.000 2.002 75 K HA -0.257 4.063 4.320 -0.000 0.000 0.209 75 K C 2.412 178.995 176.600 -0.029 0.000 1.048 75 K CA 2.073 58.349 56.287 -0.017 0.000 0.930 75 K CB -0.294 32.196 32.500 -0.017 0.000 0.714 75 K HN 0.692 nan 8.250 nan 0.000 0.438 76 E N 0.188 120.372 120.200 -0.026 0.000 2.150 76 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 76 E C 1.697 178.262 176.600 -0.058 0.000 0.985 76 E CA 0.969 57.346 56.400 -0.037 0.000 0.814 76 E CB 0.277 29.963 29.700 -0.023 0.000 0.752 76 E HN 0.174 nan 8.360 nan 0.000 0.466 77 V N 0.800 120.690 119.914 -0.040 0.000 2.788 77 V HA -0.051 4.069 4.120 -0.000 0.000 0.251 77 V C 2.284 178.306 176.094 -0.120 0.000 1.068 77 V CA 1.242 63.510 62.300 -0.054 0.000 1.090 77 V CB -0.083 31.772 31.823 0.053 0.000 0.710 77 V HN 0.315 nan 8.190 nan 0.000 0.467 78 A N 0.765 123.542 122.820 -0.072 0.000 2.119 78 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 78 A C 2.412 179.928 177.584 -0.114 0.000 1.153 78 A CA 1.554 53.547 52.037 -0.072 0.000 0.692 78 A CB -0.376 18.604 19.000 -0.033 0.000 0.799 78 A HN 0.645 nan 8.150 nan 0.000 0.458 79 S N -0.317 115.307 115.700 -0.126 0.000 2.501 79 S HA 0.012 4.481 4.470 -0.000 0.000 0.220 79 S C 1.530 176.022 174.600 -0.180 0.000 0.997 79 S CA 0.700 58.827 58.200 -0.123 0.000 0.919 79 S CB -0.204 62.943 63.200 -0.088 0.000 0.778 79 S HN 0.587 nan 8.310 nan 0.000 0.523 80 K N 1.293 121.513 120.400 -0.300 0.000 2.365 80 K HA 0.237 4.557 4.320 -0.000 0.000 0.199 80 K C 2.020 178.320 176.600 -0.501 0.000 1.045 80 K CA 0.867 56.879 56.287 -0.459 0.000 0.962 80 K CB -0.218 31.822 32.500 -0.767 0.000 0.759 80 K HN 0.508 nan 8.250 nan 0.000 0.469 81 A N 0.888 123.475 122.820 -0.389 0.000 2.178 81 A HA -0.010 4.310 4.320 -0.000 0.000 0.211 81 A C 1.639 179.176 177.584 -0.079 0.000 1.157 81 A CA 0.814 52.748 52.037 -0.173 0.000 0.780 81 A CB -0.229 18.733 19.000 -0.062 0.000 0.828 81 A HN 0.251 nan 8.150 nan 0.000 0.476 82 N N -0.663 117.974 118.700 -0.104 0.000 2.432 82 N HA -0.043 4.697 4.740 -0.000 0.000 0.174 82 N C 0.909 176.364 175.510 -0.093 0.000 1.037 82 N CA 0.571 53.567 53.050 -0.089 0.000 0.892 82 N CB 0.194 38.625 38.487 -0.093 0.000 1.049 82 N HN 0.213 nan 8.380 nan 0.000 0.442 83 D N 0.432 120.781 120.400 -0.084 0.000 2.084 83 D HA -0.105 4.535 4.640 -0.000 0.000 0.194 83 D C 1.586 177.900 176.300 0.023 0.000 0.990 83 D CA 1.337 55.310 54.000 -0.044 0.000 0.826 83 D CB -0.363 40.401 40.800 -0.059 0.000 0.971 83 D HN 0.355 nan 8.370 nan 0.000 0.453 84 A N -0.263 122.565 122.820 0.014 0.000 2.123 84 A HA 0.360 4.680 4.320 -0.000 0.000 0.214 84 A C 1.935 179.575 177.584 0.093 0.000 1.152 84 A CA 1.487 53.562 52.037 0.063 0.000 0.728 84 A CB 0.102 19.146 19.000 0.073 0.000 0.814 84 A HN 0.233 nan 8.150 nan 0.000 0.464 85 A N -2.995 119.869 122.820 0.073 0.000 2.066 85 A HA 0.478 4.798 4.320 -0.000 0.000 0.198 85 A C 1.812 179.451 177.584 0.091 0.000 1.405 85 A CA 1.094 53.182 52.037 0.086 0.000 0.973 85 A CB -0.123 18.911 19.000 0.056 0.000 1.026 85 A HN 1.698 nan 8.150 nan 0.000 0.474 86 G N -1.014 107.763 108.800 -0.039 0.000 2.284 86 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.230 86 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.230 86 G C -0.180 174.644 174.900 -0.126 0.000 1.021 86 G CA 0.484 45.455 45.100 -0.215 0.000 0.619 86 G HN 0.804 nan 8.290 nan 0.000 0.510 87 D N -0.958 119.412 120.400 -0.051 0.000 2.890 87 D HA 0.600 5.240 4.640 -0.000 0.000 0.233 87 D C 0.587 176.877 176.300 -0.017 0.000 1.306 87 D CA 0.787 54.764 54.000 -0.037 0.000 0.929 87 D CB 0.924 41.711 40.800 -0.022 0.000 1.512 87 D HN 1.051 nan 8.370 nan 0.000 0.568 88 G N 1.682 110.469 108.800 -0.022 0.000 4.362 88 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.220 88 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.220 88 G C 1.008 175.901 174.900 -0.012 0.000 0.795 88 G CA 0.344 45.440 45.100 -0.006 0.000 0.920 88 G HN 0.475 nan 8.290 nan 0.000 0.715 89 T N 1.275 115.812 114.554 -0.028 0.000 2.777 89 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 89 T C 2.598 177.289 174.700 -0.016 0.000 1.040 89 T CA 2.161 64.243 62.100 -0.031 0.000 1.141 89 T CB -0.373 68.470 68.868 -0.041 0.000 0.868 89 T HN 0.292 nan 8.240 nan 0.000 0.444 90 T N 2.201 116.746 114.554 -0.014 0.000 2.674 90 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 90 T C 2.315 177.015 174.700 -0.000 0.000 1.039 90 T CA 1.786 63.881 62.100 -0.008 0.000 1.150 90 T CB -0.849 68.014 68.868 -0.009 0.000 0.864 90 T HN 0.418 nan 8.240 nan 0.000 0.427 91 T N 2.102 116.658 114.554 0.003 0.000 2.737 91 T HA 0.052 4.402 4.350 -0.000 0.000 0.265 91 T C 2.483 177.194 174.700 0.019 0.000 1.038 91 T CA 1.058 63.164 62.100 0.012 0.000 1.144 91 T CB -0.643 68.234 68.868 0.015 0.000 0.866 91 T HN 0.431 nan 8.240 nan 0.000 0.434 92 A N 1.798 124.632 122.820 0.023 0.000 1.883 92 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 92 A C 2.569 180.170 177.584 0.029 0.000 1.186 92 A CA 2.243 54.303 52.037 0.037 0.000 0.624 92 A CB -1.464 17.563 19.000 0.045 0.000 0.822 92 A HN 0.493 nan 8.150 nan 0.000 0.444 93 T N 0.325 114.889 114.554 0.017 0.000 2.607 93 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 93 T C 1.975 176.684 174.700 0.014 0.000 1.049 93 T CA 2.500 64.607 62.100 0.013 0.000 1.162 93 T CB -1.190 67.681 68.868 0.004 0.000 0.863 93 T HN 0.830 nan 8.240 nan 0.000 0.424 94 V N 0.358 120.279 119.914 0.012 0.000 2.568 94 V HA -0.091 4.029 4.120 -0.000 0.000 0.253 94 V C 2.196 178.299 176.094 0.016 0.000 1.072 94 V CA 1.508 63.815 62.300 0.013 0.000 1.084 94 V CB -1.158 30.672 31.823 0.011 0.000 0.676 94 V HN 0.433 nan 8.190 nan 0.000 0.469 95 L N 0.420 121.656 121.223 0.020 0.000 2.095 95 L HA 0.123 4.463 4.340 -0.000 0.000 0.204 95 L C 2.982 179.866 176.870 0.024 0.000 1.080 95 L CA 1.446 56.300 54.840 0.023 0.000 0.759 95 L CB -0.753 41.324 42.059 0.029 0.000 0.914 95 L HN 0.383 nan 8.230 nan 0.000 0.439 96 A N -0.851 121.985 122.820 0.027 0.000 1.969 96 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 96 A C 2.242 179.838 177.584 0.021 0.000 1.169 96 A CA 1.528 53.581 52.037 0.027 0.000 0.635 96 A CB -0.450 18.569 19.000 0.031 0.000 0.810 96 A HN 0.466 nan 8.150 nan 0.000 0.445 97 Q N -0.542 119.269 119.800 0.017 0.000 2.046 97 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 97 Q C 2.301 178.309 176.000 0.013 0.000 0.975 97 Q CA 1.402 57.214 55.803 0.014 0.000 0.836 97 Q CB -0.336 28.409 28.738 0.012 0.000 0.896 97 Q HN 0.595 nan 8.270 nan 0.000 0.428 98 A N 0.852 123.680 122.820 0.013 0.000 1.927 98 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 98 A C 1.927 179.518 177.584 0.012 0.000 1.185 98 A CA 1.743 53.788 52.037 0.012 0.000 0.639 98 A CB -0.719 18.289 19.000 0.013 0.000 0.820 98 A HN 0.486 nan 8.150 nan 0.000 0.451 99 I N -1.072 119.507 120.570 0.014 0.000 2.716 99 I HA -0.097 4.073 4.170 -0.000 0.000 0.259 99 I C 2.123 178.248 176.117 0.013 0.000 1.172 99 I CA 0.694 62.002 61.300 0.013 0.000 1.478 99 I CB -0.132 37.877 38.000 0.015 0.000 1.104 99 I HN 0.273 nan 8.210 nan 0.000 0.439 100 I N 0.058 120.636 120.570 0.014 0.000 2.400 100 I HA -0.177 3.994 4.170 -0.000 0.000 0.248 100 I C 2.450 178.574 176.117 0.012 0.000 1.109 100 I CA 1.083 62.392 61.300 0.014 0.000 1.425 100 I CB -0.416 37.594 38.000 0.016 0.000 1.094 100 I HN 0.174 nan 8.210 nan 0.000 0.425 101 T N 0.535 115.096 114.554 0.011 0.000 2.545 101 T HA -0.187 4.163 4.350 -0.000 0.000 0.261 101 T C 1.800 176.505 174.700 0.008 0.000 1.097 101 T CA 1.346 63.452 62.100 0.009 0.000 1.189 101 T CB -0.326 68.548 68.868 0.009 0.000 0.863 101 T HN 0.248 nan 8.240 nan 0.000 0.405 102 E N 0.876 121.081 120.200 0.008 0.000 2.070 102 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 102 E C 2.499 179.104 176.600 0.007 0.000 1.004 102 E CA 1.494 57.899 56.400 0.007 0.000 0.805 102 E CB -1.110 28.595 29.700 0.007 0.000 0.744 102 E HN 0.584 nan 8.360 nan 0.000 0.451 103 G N 1.900 110.705 108.800 0.009 0.000 2.545 103 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 103 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 103 G C 1.781 176.686 174.900 0.009 0.000 1.218 103 G CA 1.251 46.356 45.100 0.009 0.000 0.787 103 G HN 0.202 nan 8.290 nan 0.000 0.571 104 L N 0.163 121.392 121.223 0.009 0.000 2.010 104 L HA -0.248 4.092 4.340 -0.000 0.000 0.219 104 L C 2.979 179.853 176.870 0.007 0.000 1.077 104 L CA 2.036 56.882 54.840 0.009 0.000 0.773 104 L CB -0.521 41.543 42.059 0.008 0.000 0.892 104 L HN 0.248 nan 8.230 nan 0.000 0.436 105 K N -0.419 119.984 120.400 0.006 0.000 2.144 105 K HA -0.251 4.069 4.320 -0.000 0.000 0.209 105 K C 2.062 178.665 176.600 0.005 0.000 1.047 105 K CA 1.708 57.998 56.287 0.005 0.000 0.927 105 K CB -0.226 32.276 32.500 0.005 0.000 0.716 105 K HN 0.417 nan 8.250 nan 0.000 0.454 106 A N 0.363 123.187 122.820 0.006 0.000 1.943 106 A HA -0.017 4.303 4.320 -0.000 0.000 0.213 106 A C 2.260 179.847 177.584 0.006 0.000 1.181 106 A CA 0.580 52.621 52.037 0.005 0.000 0.653 106 A CB -0.173 18.830 19.000 0.006 0.000 0.833 106 A HN 0.046 nan 8.150 nan 0.000 0.451 107 V N 0.280 120.199 119.914 0.007 0.000 2.255 107 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 107 V C 3.034 179.133 176.094 0.008 0.000 1.051 107 V CA 2.078 64.383 62.300 0.009 0.000 1.018 107 V CB -1.280 30.549 31.823 0.011 0.000 0.641 107 V HN 0.567 nan 8.190 nan 0.000 0.445 108 A N -0.143 122.681 122.820 0.007 0.000 2.015 108 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 108 A C 2.388 179.975 177.584 0.004 0.000 1.163 108 A CA 1.797 53.837 52.037 0.005 0.000 0.646 108 A CB -0.672 18.331 19.000 0.004 0.000 0.806 108 A HN 0.585 nan 8.150 nan 0.000 0.448 109 A N -1.641 121.181 122.820 0.004 0.000 1.972 109 A HA 0.297 4.617 4.320 -0.000 0.000 0.219 109 A C 1.924 179.509 177.584 0.003 0.000 1.169 109 A CA 1.944 53.983 52.037 0.003 0.000 0.635 109 A CB -0.703 18.299 19.000 0.003 0.000 0.810 109 A HN 1.821 nan 8.150 nan 0.000 0.446 110 G N -3.039 105.763 108.800 0.004 0.000 2.173 110 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.142 110 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.142 110 G C 0.065 174.968 174.900 0.004 0.000 1.019 110 G CA 0.011 45.113 45.100 0.004 0.000 0.699 110 G HN 0.285 nan 8.290 nan 0.000 0.495 111 M N 1.655 121.258 119.600 0.005 0.000 2.185 111 M HA 0.243 4.723 4.480 -0.000 0.000 0.357 111 M C 0.639 176.943 176.300 0.006 0.000 1.260 111 M CA -0.476 54.827 55.300 0.005 0.000 1.124 111 M CB 0.544 33.147 32.600 0.005 0.000 1.600 111 M HN 0.197 nan 8.290 nan 0.000 0.467 112 N N 4.936 123.640 118.700 0.006 0.000 2.301 112 N HA -0.050 4.690 4.740 -0.000 0.000 0.267 112 N C -2.054 173.461 175.510 0.008 0.000 1.304 112 N CA -0.490 52.565 53.050 0.007 0.000 0.851 112 N CB 0.893 39.383 38.487 0.006 0.000 1.070 112 N HN 0.363 nan 8.380 nan 0.000 0.483 113 P HA -0.130 nan 4.420 nan 0.000 0.215 113 P C 1.766 179.072 177.300 0.009 0.000 1.157 113 P CA 1.330 64.437 63.100 0.011 0.000 0.868 113 P CB 0.165 31.873 31.700 0.014 0.000 0.788 114 M N -0.594 119.011 119.600 0.009 0.000 2.108 114 M HA -0.155 4.325 4.480 -0.000 0.000 0.261 114 M C 1.541 177.845 176.300 0.005 0.000 1.066 114 M CA 1.747 57.052 55.300 0.008 0.000 1.107 114 M CB -1.728 30.877 32.600 0.008 0.000 1.356 114 M HN 0.013 nan 8.290 nan 0.000 0.406 115 D N 0.589 120.992 120.400 0.005 0.000 2.144 115 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 115 D C 2.289 178.591 176.300 0.004 0.000 0.984 115 D CA 1.075 55.077 54.000 0.004 0.000 0.834 115 D CB -0.211 40.592 40.800 0.004 0.000 0.955 115 D HN 0.339 nan 8.370 nan 0.000 0.465 116 L N 0.783 122.009 121.223 0.005 0.000 2.046 116 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 116 L C 2.549 179.421 176.870 0.005 0.000 1.077 116 L CA 1.162 56.005 54.840 0.005 0.000 0.747 116 L CB -0.299 41.764 42.059 0.006 0.000 0.896 116 L HN -0.033 nan 8.230 nan 0.000 0.432 117 K N 0.336 120.738 120.400 0.005 0.000 1.991 117 K HA -0.252 4.068 4.320 -0.000 0.000 0.212 117 K C 2.337 178.938 176.600 0.001 0.000 1.049 117 K CA 1.598 57.887 56.287 0.004 0.000 0.932 117 K CB -0.117 32.385 32.500 0.004 0.000 0.717 117 K HN 0.015 nan 8.250 nan 0.000 0.441 118 R N -0.253 120.248 120.500 0.001 0.000 2.103 118 R HA -0.140 4.200 4.340 -0.000 0.000 0.242 118 R C 2.362 178.662 176.300 -0.001 0.000 1.142 118 R CA 1.895 57.994 56.100 -0.001 0.000 0.960 118 R CB -0.720 29.580 30.300 -0.000 0.000 0.858 118 R HN 0.501 nan 8.270 nan 0.000 0.439 119 G N 0.535 109.336 108.800 0.000 0.000 2.446 119 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 119 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 119 G C 1.394 176.294 174.900 0.000 0.000 1.168 119 G CA 1.146 46.246 45.100 0.001 0.000 0.771 119 G HN 0.289 nan 8.290 nan 0.000 0.551 120 I N 0.901 121.471 120.570 0.001 0.000 2.202 120 I HA -0.094 4.076 4.170 -0.000 0.000 0.242 120 I C 2.325 178.440 176.117 -0.004 0.000 1.091 120 I CA 1.113 62.414 61.300 0.000 0.000 1.368 120 I CB -0.231 37.771 38.000 0.002 0.000 1.058 120 I HN 0.023 nan 8.210 nan 0.000 0.410 121 D N 1.227 121.623 120.400 -0.006 0.000 2.092 121 D HA -0.235 4.405 4.640 -0.000 0.000 0.193 121 D C 2.069 178.363 176.300 -0.011 0.000 0.994 121 D CA 1.337 55.329 54.000 -0.012 0.000 0.828 121 D CB -0.350 40.442 40.800 -0.014 0.000 0.963 121 D HN 0.262 nan 8.370 nan 0.000 0.450 122 K N 0.673 121.069 120.400 -0.007 0.000 2.152 122 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 122 K C 1.932 178.530 176.600 -0.004 0.000 1.048 122 K CA 1.157 57.441 56.287 -0.005 0.000 0.933 122 K CB -0.014 32.485 32.500 -0.003 0.000 0.721 122 K HN 0.030 nan 8.250 nan 0.000 0.447 123 A N 0.356 123.175 122.820 -0.002 0.000 2.015 123 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 123 A C 2.095 179.678 177.584 -0.001 0.000 1.163 123 A CA 1.197 53.234 52.037 0.000 0.000 0.646 123 A CB -0.208 18.793 19.000 0.002 0.000 0.806 123 A HN 0.165 nan 8.150 nan 0.000 0.448 124 V N -0.672 119.239 119.914 -0.006 0.000 2.488 124 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 124 V C 2.667 178.754 176.094 -0.012 0.000 1.046 124 V CA 2.245 64.539 62.300 -0.010 0.000 1.053 124 V CB -0.965 30.846 31.823 -0.019 0.000 0.679 124 V HN 0.569 nan 8.190 nan 0.000 0.458 125 T N 0.732 115.278 114.554 -0.013 0.000 2.746 125 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 125 T C 1.937 176.633 174.700 -0.007 0.000 1.039 125 T CA 1.647 63.739 62.100 -0.013 0.000 1.142 125 T CB -0.328 68.533 68.868 -0.012 0.000 0.866 125 T HN 0.538 nan 8.240 nan 0.000 0.444 126 A N 0.674 123.492 122.820 -0.003 0.000 2.119 126 A HA 0.486 4.806 4.320 -0.000 0.000 0.216 126 A C 2.412 179.998 177.584 0.003 0.000 1.152 126 A CA 1.189 53.227 52.037 0.001 0.000 0.708 126 A CB -0.543 18.458 19.000 0.002 0.000 0.805 126 A HN 0.476 nan 8.150 nan 0.000 0.460 127 A N -0.610 122.212 122.820 0.003 0.000 1.935 127 A HA 0.170 4.490 4.320 -0.000 0.000 0.214 127 A C 2.039 179.627 177.584 0.007 0.000 1.178 127 A CA 1.241 53.282 52.037 0.007 0.000 0.640 127 A CB -0.557 18.447 19.000 0.007 0.000 0.825 127 A HN 0.288 nan 8.150 nan 0.000 0.447 128 V N 0.134 120.049 119.914 0.002 0.000 2.407 128 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 128 V C 2.509 178.605 176.094 0.005 0.000 1.055 128 V CA 2.338 64.639 62.300 0.002 0.000 1.049 128 V CB -0.679 31.140 31.823 -0.006 0.000 0.662 128 V HN 0.522 nan 8.190 nan 0.000 0.455 129 E N 0.090 120.292 120.200 0.004 0.000 2.046 129 E HA -0.181 4.169 4.350 -0.000 0.000 0.190 129 E C 2.203 178.808 176.600 0.009 0.000 0.982 129 E CA 1.089 57.492 56.400 0.006 0.000 0.800 129 E CB -0.260 29.443 29.700 0.004 0.000 0.756 129 E HN 0.555 nan 8.360 nan 0.000 0.449 130 E N -0.160 120.046 120.200 0.010 0.000 2.204 130 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 130 E C 1.760 178.369 176.600 0.016 0.000 0.990 130 E CA 0.433 56.841 56.400 0.013 0.000 0.821 130 E CB -0.173 29.535 29.700 0.015 0.000 0.750 130 E HN 0.162 nan 8.360 nan 0.000 0.477 131 L N 0.581 121.813 121.223 0.015 0.000 2.056 131 L HA -0.097 4.243 4.340 -0.000 0.000 0.207 131 L C 1.818 178.698 176.870 0.016 0.000 1.078 131 L CA 1.715 56.565 54.840 0.017 0.000 0.749 131 L CB -0.158 41.911 42.059 0.016 0.000 0.901 131 L HN -0.008 nan 8.230 nan 0.000 0.433 132 K N -0.768 119.640 120.400 0.014 0.000 2.097 132 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 132 K C 2.050 178.658 176.600 0.014 0.000 1.050 132 K CA 1.191 57.486 56.287 0.013 0.000 0.938 132 K CB -0.356 32.151 32.500 0.011 0.000 0.718 132 K HN 0.411 nan 8.250 nan 0.000 0.442 133 A N 1.347 124.175 122.820 0.014 0.000 1.969 133 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 133 A C 1.986 179.580 177.584 0.017 0.000 1.169 133 A CA 1.001 53.047 52.037 0.014 0.000 0.635 133 A CB -0.394 18.615 19.000 0.014 0.000 0.810 133 A HN 0.246 nan 8.150 nan 0.000 0.445 134 L N -0.436 120.799 121.223 0.020 0.000 2.554 134 L HA 0.075 4.415 4.340 -0.000 0.000 0.226 134 L C 1.076 177.959 176.870 0.022 0.000 1.137 134 L CA 0.164 55.019 54.840 0.024 0.000 0.863 134 L CB 0.063 42.138 42.059 0.026 0.000 0.985 134 L HN 0.349 nan 8.230 nan 0.000 0.451 135 S N 0.068 115.779 115.700 0.019 0.000 2.455 135 S HA 0.203 4.673 4.470 -0.000 0.000 0.278 135 S C -0.140 174.470 174.600 0.016 0.000 1.216 135 S CA -0.612 57.599 58.200 0.017 0.000 1.055 135 S CB 0.629 63.838 63.200 0.016 0.000 0.939 135 S HN 0.021 nan 8.310 nan 0.000 0.494 136 V N 9.054 128.978 119.914 0.016 0.000 2.455 136 V HA 0.295 4.415 4.120 -0.000 0.000 0.273 136 V C -2.011 174.091 176.094 0.013 0.000 1.045 136 V CA -1.747 60.562 62.300 0.015 0.000 0.976 136 V CB 0.619 32.451 31.823 0.015 0.000 0.993 136 V HN 0.728 nan 8.190 nan 0.000 0.475 137 P HA 0.113 nan 4.420 nan 0.000 0.271 137 P C -0.489 176.816 177.300 0.008 0.000 1.216 137 P CA -0.180 62.926 63.100 0.010 0.000 0.776 137 P CB 0.454 32.160 31.700 0.009 0.000 0.881 138 C N 3.624 122.929 119.300 0.008 0.000 2.621 138 C HA 0.416 4.876 4.460 -0.000 0.000 0.272 138 C C 1.390 176.383 174.990 0.004 0.000 1.119 138 C CA 0.170 59.191 59.018 0.006 0.000 1.593 138 C CB -1.554 26.190 27.740 0.007 0.000 1.749 138 C HN 0.554 nan 8.230 nan 0.000 0.420 139 S N 1.748 117.450 115.700 0.004 0.000 2.541 139 S HA 0.082 4.552 4.470 -0.000 0.000 0.219 139 S C 0.472 175.073 174.600 0.002 0.000 1.025 139 S CA 0.295 58.496 58.200 0.003 0.000 0.917 139 S CB -0.133 63.069 63.200 0.003 0.000 0.859 139 S HN 0.945 nan 8.310 nan 0.000 0.584 140 D N 1.944 122.345 120.400 0.002 0.000 2.378 140 D HA 0.055 4.695 4.640 -0.000 0.000 0.238 140 D C 0.964 177.265 176.300 0.001 0.000 1.180 140 D CA 0.336 54.337 54.000 0.001 0.000 0.895 140 D CB 0.581 41.382 40.800 0.002 0.000 1.192 140 D HN 0.257 nan 8.370 nan 0.000 0.438 141 S N 0.462 116.162 115.700 -0.000 0.000 2.474 141 S HA -0.217 4.253 4.470 -0.000 0.000 0.235 141 S C 1.559 176.159 174.600 -0.000 0.000 0.997 141 S CA 0.849 59.049 58.200 -0.001 0.000 0.949 141 S CB -0.313 62.886 63.200 -0.001 0.000 0.766 141 S HN 0.646 nan 8.310 nan 0.000 0.517 142 K N 1.549 121.950 120.400 0.000 0.000 2.155 142 K HA 0.097 4.417 4.320 -0.000 0.000 0.203 142 K C 2.183 178.783 176.600 0.001 0.000 1.052 142 K CA 0.964 57.251 56.287 0.001 0.000 0.948 142 K CB -0.422 32.078 32.500 0.001 0.000 0.728 142 K HN 0.439 nan 8.250 nan 0.000 0.448 143 A N 0.944 123.765 122.820 0.002 0.000 1.930 143 A HA 0.002 4.322 4.320 -0.000 0.000 0.215 143 A C 1.949 179.534 177.584 0.002 0.000 1.176 143 A CA 0.758 52.796 52.037 0.002 0.000 0.632 143 A CB -0.301 18.701 19.000 0.003 0.000 0.819 143 A HN 0.277 nan 8.150 nan 0.000 0.445 144 I N -0.203 120.368 120.570 0.001 0.000 2.315 144 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 144 I C 2.862 178.980 176.117 0.001 0.000 1.117 144 I CA 0.916 62.217 61.300 0.001 0.000 1.404 144 I CB -0.218 37.782 38.000 -0.001 0.000 1.071 144 I HN 0.335 nan 8.210 nan 0.000 0.419 145 A N 0.223 123.043 122.820 0.000 0.000 1.930 145 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 145 A C 2.270 179.854 177.584 -0.000 0.000 1.175 145 A CA 1.302 53.339 52.037 -0.000 0.000 0.627 145 A CB -0.482 18.517 19.000 -0.001 0.000 0.815 145 A HN 0.429 nan 8.150 nan 0.000 0.443 146 Q N -0.577 119.223 119.800 0.000 0.000 2.119 146 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 146 Q C 2.137 178.136 176.000 -0.000 0.000 0.972 146 Q CA 1.559 57.361 55.803 -0.000 0.000 0.847 146 Q CB -0.261 28.477 28.738 0.000 0.000 0.903 146 Q HN 0.498 nan 8.270 nan 0.000 0.433 147 V N 0.200 120.115 119.914 0.001 0.000 2.283 147 V HA -0.159 3.961 4.120 -0.000 0.000 0.243 147 V C 2.261 178.357 176.094 0.004 0.000 1.039 147 V CA 1.913 64.215 62.300 0.003 0.000 1.016 147 V CB -1.166 30.660 31.823 0.005 0.000 0.650 147 V HN 0.526 nan 8.190 nan 0.000 0.449 148 G N -0.192 108.610 108.800 0.004 0.000 2.513 148 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 148 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 148 G C 1.692 176.593 174.900 0.002 0.000 1.160 148 G CA 1.916 47.018 45.100 0.004 0.000 0.767 148 G HN 0.470 nan 8.290 nan 0.000 0.571 149 T N 1.134 115.688 114.554 0.000 0.000 2.737 149 T HA -0.015 4.335 4.350 -0.000 0.000 0.265 149 T C 2.412 177.110 174.700 -0.004 0.000 1.038 149 T CA 1.060 63.159 62.100 -0.002 0.000 1.144 149 T CB -0.150 68.716 68.868 -0.003 0.000 0.866 149 T HN 0.276 nan 8.240 nan 0.000 0.434 150 I N 1.136 121.704 120.570 -0.004 0.000 2.394 150 I HA -0.121 4.049 4.170 -0.000 0.000 0.251 150 I C 2.488 178.602 176.117 -0.005 0.000 1.136 150 I CA 0.830 62.126 61.300 -0.007 0.000 1.425 150 I CB -0.295 37.700 38.000 -0.008 0.000 1.079 150 I HN 0.166 nan 8.210 nan 0.000 0.425 151 S N 0.697 116.396 115.700 -0.001 0.000 2.453 151 S HA 0.019 4.489 4.470 -0.000 0.000 0.231 151 S C 1.688 176.289 174.600 0.002 0.000 1.005 151 S CA 1.028 59.230 58.200 0.003 0.000 0.949 151 S CB -0.084 63.122 63.200 0.011 0.000 0.774 151 S HN 0.506 nan 8.310 nan 0.000 0.510 152 A N 1.330 124.150 122.820 0.000 0.000 2.577 152 A HA 0.437 4.757 4.320 -0.000 0.000 0.280 152 A C 0.496 178.078 177.584 -0.005 0.000 1.331 152 A CA -0.454 51.583 52.037 -0.001 0.000 0.935 152 A CB -0.611 18.389 19.000 0.001 0.000 1.082 152 A HN 0.373 nan 8.150 nan 0.000 0.525 153 N N 0.044 118.740 118.700 -0.007 0.000 2.671 153 N HA -0.220 4.520 4.740 -0.000 0.000 0.261 153 N C 0.235 175.739 175.510 -0.011 0.000 1.053 153 N CA 1.043 54.086 53.050 -0.011 0.000 0.732 153 N CB -1.719 36.761 38.487 -0.011 0.000 0.887 153 N HN 0.532 nan 8.380 nan 0.000 0.546 154 S N -1.138 114.556 115.700 -0.011 0.000 3.490 154 S HA -0.245 4.225 4.470 -0.000 0.000 0.301 154 S C -0.329 174.267 174.600 -0.008 0.000 1.233 154 S CA 0.917 59.111 58.200 -0.010 0.000 0.914 154 S CB -1.077 62.115 63.200 -0.013 0.000 1.047 154 S HN 0.823 nan 8.310 nan 0.000 0.602 155 D N 1.099 121.495 120.400 -0.006 0.000 2.485 155 D HA 0.374 5.014 4.640 -0.000 0.000 0.221 155 D C 1.019 177.317 176.300 -0.003 0.000 1.112 155 D CA -0.413 53.584 54.000 -0.005 0.000 0.911 155 D CB 0.471 41.269 40.800 -0.004 0.000 1.019 155 D HN 0.349 nan 8.370 nan 0.000 0.516 156 E N 0.938 121.136 120.200 -0.004 0.000 2.160 156 E HA -0.168 4.182 4.350 -0.000 0.000 0.195 156 E C 1.356 177.954 176.600 -0.002 0.000 0.991 156 E CA 1.240 57.638 56.400 -0.003 0.000 0.810 156 E CB 0.209 29.907 29.700 -0.003 0.000 0.742 156 E HN 0.518 nan 8.360 nan 0.000 0.466 157 T N 0.692 115.245 114.554 -0.002 0.000 2.699 157 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 157 T C 2.087 176.786 174.700 -0.001 0.000 1.036 157 T CA 1.342 63.441 62.100 -0.002 0.000 1.147 157 T CB -0.203 68.663 68.868 -0.002 0.000 0.862 157 T HN 0.017 nan 8.240 nan 0.000 0.446 158 V N 1.255 121.169 119.914 -0.001 0.000 2.407 158 V HA 0.055 4.175 4.120 -0.000 0.000 0.245 158 V C 2.948 179.042 176.094 0.000 0.000 1.041 158 V CA 1.531 63.831 62.300 0.000 0.000 1.040 158 V CB -1.414 30.410 31.823 0.001 0.000 0.671 158 V HN 0.565 nan 8.190 nan 0.000 0.455 159 G N 0.028 108.828 108.800 -0.000 0.000 2.475 159 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 159 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 159 G C 1.637 176.537 174.900 -0.001 0.000 1.125 159 G CA 1.320 46.419 45.100 -0.000 0.000 0.755 159 G HN 0.516 nan 8.290 nan 0.000 0.565 160 K N -0.364 120.035 120.400 -0.001 0.000 2.186 160 K HA 0.231 4.551 4.320 -0.000 0.000 0.202 160 K C 2.416 179.015 176.600 -0.002 0.000 1.052 160 K CA 0.131 56.416 56.287 -0.002 0.000 0.965 160 K CB -0.143 32.355 32.500 -0.002 0.000 0.746 160 K HN 0.314 nan 8.250 nan 0.000 0.457 161 L N 1.012 122.234 121.223 -0.002 0.000 2.056 161 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 161 L C 2.205 179.073 176.870 -0.003 0.000 1.078 161 L CA 1.050 55.889 54.840 -0.002 0.000 0.749 161 L CB -0.194 41.864 42.059 -0.002 0.000 0.901 161 L HN 0.192 nan 8.230 nan 0.000 0.433 162 I N -0.467 120.101 120.570 -0.002 0.000 2.202 162 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 162 I C 2.727 178.842 176.117 -0.005 0.000 1.091 162 I CA 1.154 62.451 61.300 -0.004 0.000 1.368 162 I CB -0.583 37.416 38.000 -0.002 0.000 1.058 162 I HN 0.180 nan 8.210 nan 0.000 0.410 163 A N 0.468 123.286 122.820 -0.003 0.000 2.024 163 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 163 A C 2.175 179.756 177.584 -0.004 0.000 1.164 163 A CA 1.787 53.822 52.037 -0.003 0.000 0.643 163 A CB -0.521 18.478 19.000 -0.002 0.000 0.806 163 A HN 0.524 nan 8.150 nan 0.000 0.451 164 E N -0.606 119.592 120.200 -0.004 0.000 2.140 164 E HA 0.108 4.458 4.350 -0.000 0.000 0.191 164 E C 2.326 178.922 176.600 -0.006 0.000 0.973 164 E CA 0.575 56.972 56.400 -0.005 0.000 0.829 164 E CB -0.220 29.478 29.700 -0.004 0.000 0.781 164 E HN 0.574 nan 8.360 nan 0.000 0.466 165 A N 1.367 124.183 122.820 -0.007 0.000 1.902 165 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 165 A C 2.164 179.742 177.584 -0.010 0.000 1.181 165 A CA 1.341 53.373 52.037 -0.008 0.000 0.623 165 A CB -0.401 18.594 19.000 -0.009 0.000 0.818 165 A HN 0.126 nan 8.150 nan 0.000 0.443 166 M N -1.358 118.236 119.600 -0.010 0.000 2.200 166 M HA -0.105 4.375 4.480 -0.000 0.000 0.265 166 M C 1.785 178.080 176.300 -0.008 0.000 1.066 166 M CA 1.692 56.986 55.300 -0.011 0.000 1.127 166 M CB -0.381 32.212 32.600 -0.010 0.000 1.379 166 M HN 0.425 nan 8.290 nan 0.000 0.420 167 D N 0.449 120.845 120.400 -0.007 0.000 2.219 167 D HA -0.130 4.510 4.640 -0.000 0.000 0.205 167 D C 1.988 178.285 176.300 -0.006 0.000 0.970 167 D CA 1.052 55.049 54.000 -0.006 0.000 0.851 167 D CB 0.289 41.087 40.800 -0.004 0.000 0.943 167 D HN -0.021 nan 8.370 nan 0.000 0.488 168 K N -0.159 120.237 120.400 -0.006 0.000 1.991 168 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 168 K C 2.091 178.687 176.600 -0.007 0.000 1.045 168 K CA 1.339 57.623 56.287 -0.007 0.000 0.937 168 K CB -0.656 31.840 32.500 -0.007 0.000 0.720 168 K HN 0.259 nan 8.250 nan 0.000 0.438 169 V N -2.951 116.958 119.914 -0.009 0.000 3.590 169 V HA 0.347 4.467 4.120 -0.000 0.000 0.265 169 V C 0.911 177.000 176.094 -0.009 0.000 1.239 169 V CA 0.313 62.608 62.300 -0.009 0.000 1.117 169 V CB -0.486 31.331 31.823 -0.011 0.000 0.818 169 V HN 0.391 nan 8.190 nan 0.000 0.451 170 G N 1.036 109.830 108.800 -0.009 0.000 2.710 170 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.668 170 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.668 170 G C 0.074 174.967 174.900 -0.011 0.000 1.320 170 G CA 0.008 45.102 45.100 -0.009 0.000 0.860 170 G HN 0.274 nan 8.290 nan 0.000 0.538 171 K N 0.053 120.447 120.400 -0.010 0.000 2.211 171 K HA -0.021 4.299 4.320 -0.000 0.000 0.203 171 K C 1.631 178.222 176.600 -0.015 0.000 1.050 171 K CA 1.622 57.902 56.287 -0.011 0.000 0.945 171 K CB 0.028 32.523 32.500 -0.008 0.000 0.732 171 K HN 0.472 nan 8.250 nan 0.000 0.451 172 E N 0.271 120.463 120.200 -0.013 0.000 2.481 172 E HA 0.060 4.410 4.350 -0.000 0.000 0.198 172 E C 0.702 177.292 176.600 -0.018 0.000 1.027 172 E CA -0.001 56.389 56.400 -0.015 0.000 0.900 172 E CB 0.704 30.397 29.700 -0.010 0.000 0.993 172 E HN 0.213 nan 8.360 nan 0.000 0.482 173 G N 1.268 110.057 108.800 -0.017 0.000 2.483 173 G HA2 0.260 4.220 3.960 -0.000 0.000 0.248 173 G HA3 0.260 4.220 3.960 -0.000 0.000 0.248 173 G C 0.268 175.154 174.900 -0.023 0.000 1.248 173 G CA -0.455 44.635 45.100 -0.016 0.000 0.838 173 G HN -0.068 nan 8.290 nan 0.000 0.566 174 V N 2.401 122.302 119.914 -0.021 0.000 2.521 174 V HA 0.199 4.319 4.120 -0.000 0.000 0.286 174 V C 0.381 176.459 176.094 -0.027 0.000 1.034 174 V CA 0.340 62.623 62.300 -0.028 0.000 1.045 174 V CB 0.180 31.991 31.823 -0.020 0.000 0.974 174 V HN 0.461 nan 8.190 nan 0.000 0.480 175 I N 4.366 124.915 120.570 -0.036 0.000 2.466 175 I HA 0.494 4.664 4.170 -0.000 0.000 0.289 175 I C -0.034 176.065 176.117 -0.030 0.000 1.026 175 I CA -0.225 61.057 61.300 -0.030 0.000 1.078 175 I CB 2.104 40.086 38.000 -0.030 0.000 1.249 175 I HN 0.510 nan 8.210 nan 0.000 0.429 176 T N 4.952 119.494 114.554 -0.020 0.000 2.856 176 T HA 0.515 4.865 4.350 -0.000 0.000 0.283 176 T C -0.706 173.990 174.700 -0.008 0.000 1.008 176 T CA -0.659 61.433 62.100 -0.015 0.000 0.997 176 T CB 2.608 71.468 68.868 -0.014 0.000 0.992 176 T HN 0.352 nan 8.240 nan 0.000 0.454 177 V N 3.128 123.042 119.914 -0.001 0.000 2.495 177 V HA 0.743 4.863 4.120 -0.000 0.000 0.298 177 V C -0.681 175.415 176.094 0.003 0.000 1.031 177 V CA -0.469 61.832 62.300 0.002 0.000 0.871 177 V CB 1.181 33.008 31.823 0.006 0.000 0.988 177 V HN 1.068 nan 8.190 nan 0.000 0.432 178 E N 3.834 124.034 120.200 0.000 0.000 2.437 178 E HA 0.544 4.894 4.350 -0.000 0.000 0.253 178 E C -1.407 175.193 176.600 -0.000 0.000 0.905 178 E CA -1.139 55.261 56.400 0.000 0.000 0.871 178 E CB 0.870 30.569 29.700 -0.002 0.000 1.649 178 E HN 0.482 nan 8.360 nan 0.000 0.422 179 D N -0.006 120.393 120.400 -0.001 0.000 2.399 179 D HA 0.311 4.951 4.640 -0.000 0.000 0.241 179 D C -0.066 176.233 176.300 -0.002 0.000 1.133 179 D CA 0.395 54.394 54.000 -0.001 0.000 0.890 179 D CB 1.202 42.001 40.800 -0.002 0.000 1.201 179 D HN 0.538 nan 8.370 nan 0.000 0.432 180 G N -0.888 107.911 108.800 -0.002 0.000 2.471 180 G HA2 0.376 4.336 3.960 -0.000 0.000 0.332 180 G HA3 0.376 4.336 3.960 -0.000 0.000 0.332 180 G C 0.980 175.878 174.900 -0.003 0.000 1.176 180 G CA -0.400 44.698 45.100 -0.003 0.000 0.949 180 G HN 0.401 nan 8.290 nan 0.000 0.488 181 T N -2.455 112.096 114.554 -0.003 0.000 3.014 181 T HA 0.442 4.792 4.350 -0.000 0.000 0.263 181 T C 1.080 175.778 174.700 -0.003 0.000 1.078 181 T CA 0.907 63.005 62.100 -0.003 0.000 1.135 181 T CB 0.049 68.915 68.868 -0.004 0.000 0.895 181 T HN 1.625 nan 8.240 nan 0.000 0.480 182 G N 0.362 109.160 108.800 -0.003 0.000 2.338 182 G HA2 0.400 4.360 3.960 -0.000 0.000 0.295 182 G HA3 0.400 4.360 3.960 -0.000 0.000 0.295 182 G C -1.443 173.455 174.900 -0.003 0.000 1.461 182 G CA -0.899 44.199 45.100 -0.003 0.000 0.817 182 G HN 0.320 nan 8.290 nan 0.000 0.556 183 L N 0.978 122.199 121.223 -0.002 0.000 2.841 183 L HA 0.168 4.508 4.340 -0.000 0.000 0.282 183 L C -0.198 176.671 176.870 -0.002 0.000 1.130 183 L CA 1.653 56.491 54.840 -0.002 0.000 0.996 183 L CB -0.908 41.150 42.059 -0.002 0.000 1.364 183 L HN 0.851 nan 8.230 nan 0.000 0.466 184 Q N 2.977 122.776 119.800 -0.002 0.000 3.366 184 Q HA 0.044 4.384 4.340 -0.000 0.000 0.147 184 Q C -1.728 174.271 176.000 -0.003 0.000 0.999 184 Q CA -0.551 55.250 55.803 -0.003 0.000 1.176 184 Q CB 0.550 29.287 28.738 -0.003 0.000 1.971 184 Q HN 0.634 nan 8.270 nan 0.000 0.586 185 D N 3.007 123.405 120.400 -0.003 0.000 2.225 185 D HA 0.309 4.949 4.640 -0.000 0.000 0.248 185 D C -0.504 175.795 176.300 -0.003 0.000 1.096 185 D CA 0.011 54.010 54.000 -0.003 0.000 0.863 185 D CB 1.232 42.031 40.800 -0.002 0.000 1.156 185 D HN 0.294 nan 8.370 nan 0.000 0.450 186 E N 0.712 120.910 120.200 -0.003 0.000 2.277 186 E HA 0.578 4.928 4.350 -0.000 0.000 0.266 186 E C -0.979 175.618 176.600 -0.004 0.000 0.901 186 E CA -1.036 55.362 56.400 -0.004 0.000 0.782 186 E CB 2.541 32.238 29.700 -0.004 0.000 1.228 186 E HN 0.069 nan 8.360 nan 0.000 0.424 187 L N 2.364 123.584 121.223 -0.005 0.000 2.439 187 L HA 0.423 4.763 4.340 -0.000 0.000 0.270 187 L C -1.820 175.046 176.870 -0.006 0.000 0.972 187 L CA -0.286 54.551 54.840 -0.005 0.000 0.836 187 L CB 1.569 43.625 42.059 -0.005 0.000 1.255 187 L HN 0.430 nan 8.230 nan 0.000 0.404 188 D N 4.236 124.632 120.400 -0.006 0.000 2.788 188 D HA 0.377 5.017 4.640 -0.000 0.000 0.247 188 D C -0.882 175.414 176.300 -0.007 0.000 1.236 188 D CA -0.181 53.815 54.000 -0.006 0.000 0.898 188 D CB 2.897 43.693 40.800 -0.007 0.000 1.401 188 D HN 0.175 nan 8.370 nan 0.000 0.549 189 V N 2.161 122.071 119.914 -0.007 0.000 2.498 189 V HA 0.430 4.550 4.120 -0.000 0.000 0.279 189 V C 0.735 176.826 176.094 -0.006 0.000 1.048 189 V CA -0.437 61.859 62.300 -0.007 0.000 0.967 189 V CB 1.253 33.072 31.823 -0.006 0.000 0.988 189 V HN 0.426 nan 8.190 nan 0.000 0.473 190 V N 1.703 121.614 119.914 -0.006 0.000 3.164 190 V HA 0.662 4.782 4.120 -0.000 0.000 0.313 190 V C -0.271 175.821 176.094 -0.004 0.000 1.188 190 V CA -1.063 61.233 62.300 -0.006 0.000 1.058 190 V CB 2.189 34.007 31.823 -0.008 0.000 1.110 190 V HN 0.629 nan 8.190 nan 0.000 0.453 191 E N 1.800 121.998 120.200 -0.004 0.000 1.858 191 E HA 0.505 4.855 4.350 -0.000 0.000 0.267 191 E C 0.178 176.780 176.600 0.003 0.000 1.215 191 E CA 0.534 56.933 56.400 -0.001 0.000 0.952 191 E CB 0.577 30.275 29.700 -0.003 0.000 1.058 191 E HN 1.005 nan 8.360 nan 0.000 0.407 192 G N 1.458 110.262 108.800 0.008 0.000 3.042 192 G HA2 0.789 4.749 3.960 -0.000 0.000 0.278 192 G HA3 0.789 4.749 3.960 -0.000 0.000 0.278 192 G C -0.835 174.082 174.900 0.029 0.000 1.371 192 G CA -0.577 44.533 45.100 0.017 0.000 1.009 192 G HN 0.355 nan 8.290 nan 0.000 0.523 193 M N -0.119 119.511 119.600 0.050 0.000 2.449 193 M HA 0.354 4.834 4.480 -0.000 0.000 0.291 193 M C -2.204 174.164 176.300 0.113 0.000 1.148 193 M CA -0.527 54.821 55.300 0.080 0.000 0.925 193 M CB 2.476 35.134 32.600 0.096 0.000 1.767 193 M HN 0.633 nan 8.290 nan 0.000 0.503 194 Q N 3.543 123.408 119.800 0.108 0.000 2.356 194 Q HA 0.734 5.074 4.340 -0.000 0.000 0.270 194 Q C -2.035 174.058 176.000 0.154 0.000 1.058 194 Q CA -0.631 55.206 55.803 0.056 0.000 0.802 194 Q CB 2.260 30.980 28.738 -0.030 0.000 1.303 194 Q HN 0.572 nan 8.270 nan 0.000 0.444 195 F N -0.239 119.704 119.950 -0.011 0.000 2.620 195 F HA 0.514 5.041 4.527 -0.000 0.000 0.320 195 F C -0.360 175.435 175.800 -0.008 0.000 1.069 195 F CA -1.234 56.762 58.000 -0.008 0.000 0.953 195 F CB 0.984 39.981 39.000 -0.004 0.000 1.322 195 F HN 0.315 nan 8.300 nan 0.000 0.479 196 D N 2.346 122.833 120.400 0.146 0.000 3.032 196 D HA 0.139 4.779 4.640 -0.000 0.000 0.241 196 D C -0.259 176.075 176.300 0.057 0.000 1.196 196 D CA 0.288 54.315 54.000 0.045 0.000 0.927 196 D CB -0.172 40.666 40.800 0.063 0.000 1.129 196 D HN 0.286 nan 8.370 nan 0.000 0.458 197 R N 0.172 120.666 120.500 -0.009 0.000 2.532 197 R HA 0.506 4.846 4.340 -0.000 0.000 0.297 197 R C 0.427 176.641 176.300 -0.143 0.000 0.984 197 R CA -0.665 55.442 56.100 0.011 0.000 0.884 197 R CB 2.215 32.657 30.300 0.238 0.000 1.182 197 R HN 0.104 nan 8.270 nan 0.000 0.442 198 G N 1.316 110.012 108.800 -0.173 0.000 2.532 198 G HA2 0.364 4.324 3.960 -0.000 0.000 0.291 198 G HA3 0.364 4.324 3.960 -0.000 0.000 0.291 198 G C -0.497 174.271 174.900 -0.219 0.000 1.349 198 G CA -0.533 44.370 45.100 -0.328 0.000 1.038 198 G HN 0.462 nan 8.290 nan 0.000 0.518 199 Y N -1.455 118.879 120.300 0.057 0.000 2.652 199 Y HA 0.270 4.820 4.550 -0.000 0.000 0.344 199 Y C 1.377 177.373 175.900 0.160 0.000 1.254 199 Y CA -0.771 57.407 58.100 0.129 0.000 1.480 199 Y CB 0.402 38.986 38.460 0.207 0.000 1.345 199 Y HN 0.184 nan 8.280 nan 0.000 0.617 200 L N 0.814 122.286 121.223 0.414 0.000 2.395 200 L HA 0.060 4.400 4.340 -0.000 0.000 0.218 200 L C 0.698 177.784 176.870 0.360 0.000 1.130 200 L CA 0.982 56.017 54.840 0.325 0.000 0.826 200 L CB 0.038 42.267 42.059 0.284 0.000 0.941 200 L HN 0.785 nan 8.230 nan 0.000 0.451 201 S N -2.340 113.649 115.700 0.482 0.000 2.537 201 S HA 0.430 4.900 4.470 -0.000 0.000 0.270 201 S C -2.462 172.140 174.600 0.004 0.000 1.142 201 S CA -1.200 57.114 58.200 0.190 0.000 0.870 201 S CB 1.687 64.861 63.200 -0.044 0.000 1.112 201 S HN -0.270 nan 8.310 nan 0.000 0.466 202 P HA 0.264 nan 4.420 nan 0.000 0.321 202 P C -0.034 176.937 177.300 -0.547 0.000 1.338 202 P CA 0.464 63.174 63.100 -0.650 0.000 0.764 202 P CB -0.001 31.262 31.700 -0.728 0.000 1.641 203 Y N -5.082 115.016 120.300 -0.336 0.000 4.118 203 Y HA -0.280 4.270 4.550 -0.000 0.000 0.350 203 Y C 1.759 177.518 175.900 -0.236 0.000 1.090 203 Y CA 1.208 59.131 58.100 -0.295 0.000 2.216 203 Y CB -3.134 35.118 38.460 -0.347 0.000 0.986 203 Y HN 0.110 nan 8.280 nan 0.000 0.484 204 F N 0.086 120.022 119.950 -0.023 0.000 2.325 204 F HA 0.085 4.612 4.527 -0.000 0.000 0.299 204 F C 1.474 177.217 175.800 -0.095 0.000 1.090 204 F CA 0.038 58.014 58.000 -0.041 0.000 1.392 204 F CB -0.510 38.473 39.000 -0.028 0.000 1.053 204 F HN -0.080 nan 8.300 nan 0.000 0.521 205 I N 2.286 122.824 120.570 -0.054 0.000 2.741 205 I HA -0.149 4.021 4.170 -0.000 0.000 0.288 205 I C 0.729 176.832 176.117 -0.022 0.000 1.192 205 I CA 0.405 61.648 61.300 -0.096 0.000 1.426 205 I CB 0.136 38.001 38.000 -0.225 0.000 1.367 205 I HN 0.175 nan 8.210 nan 0.000 0.563 206 N N 4.279 122.981 118.700 0.003 0.000 2.171 206 N HA 0.064 4.804 4.740 -0.000 0.000 0.212 206 N C -0.206 175.306 175.510 0.003 0.000 1.184 206 N CA -0.112 52.945 53.050 0.012 0.000 0.888 206 N CB 0.524 39.028 38.487 0.028 0.000 1.038 206 N HN 0.323 nan 8.380 nan 0.000 0.517 207 K N 1.294 121.692 120.400 -0.003 0.000 2.592 207 K HA 0.293 4.613 4.320 -0.000 0.000 0.212 207 K C -2.204 174.388 176.600 -0.013 0.000 1.013 207 K CA -1.510 54.775 56.287 -0.003 0.000 1.034 207 K CB 2.309 34.812 32.500 0.006 0.000 1.292 207 K HN 0.011 nan 8.250 nan 0.000 0.521 208 P HA -0.063 nan 4.420 nan 0.000 0.233 208 P C 0.476 177.762 177.300 -0.023 0.000 1.167 208 P CA 0.808 63.889 63.100 -0.031 0.000 0.770 208 P CB 0.575 32.258 31.700 -0.029 0.000 0.837 209 E N 0.133 120.324 120.200 -0.015 0.000 2.031 209 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 209 E C 1.939 178.530 176.600 -0.016 0.000 0.994 209 E CA 2.306 58.697 56.400 -0.014 0.000 0.800 209 E CB -1.340 28.354 29.700 -0.009 0.000 0.752 209 E HN 0.369 nan 8.360 nan 0.000 0.447 210 T N -3.577 110.972 114.554 -0.009 0.000 3.037 210 T HA 0.305 4.655 4.350 -0.000 0.000 0.251 210 T C 1.428 176.131 174.700 0.005 0.000 1.079 210 T CA 0.151 62.247 62.100 -0.006 0.000 1.067 210 T CB 0.397 69.270 68.868 0.007 0.000 0.948 210 T HN 0.318 nan 8.240 nan 0.000 0.496 211 G N 1.211 110.014 108.800 0.004 0.000 2.291 211 G HA2 0.202 4.162 3.960 -0.000 0.000 0.271 211 G HA3 0.202 4.162 3.960 -0.000 0.000 0.271 211 G C -0.022 174.921 174.900 0.072 0.000 1.099 211 G CA -0.221 44.887 45.100 0.013 0.000 0.919 211 G HN 1.177 nan 8.290 nan 0.000 0.496 212 A N -0.832 122.018 122.820 0.050 0.000 2.435 212 A HA 0.905 5.225 4.320 -0.000 0.000 0.304 212 A C -0.077 177.540 177.584 0.056 0.000 1.064 212 A CA -0.391 51.703 52.037 0.094 0.000 0.727 212 A CB 2.109 21.153 19.000 0.073 0.000 1.284 212 A HN 1.334 nan 8.150 nan 0.000 0.415 213 V N 1.391 121.362 119.914 0.094 0.000 2.432 213 V HA 0.448 4.568 4.120 -0.000 0.000 0.275 213 V C 0.181 176.305 176.094 0.050 0.000 1.043 213 V CA -0.223 62.118 62.300 0.069 0.000 0.925 213 V CB 1.052 32.937 31.823 0.102 0.000 0.985 213 V HN 0.917 nan 8.190 nan 0.000 0.466 214 E N 4.774 124.994 120.200 0.033 0.000 2.216 214 E HA 0.632 4.982 4.350 -0.000 0.000 0.260 214 E C -1.660 174.949 176.600 0.016 0.000 0.880 214 E CA -0.557 55.855 56.400 0.021 0.000 0.765 214 E CB 1.414 31.123 29.700 0.016 0.000 1.174 214 E HN 0.651 nan 8.360 nan 0.000 0.417 215 L N 3.438 124.666 121.223 0.009 0.000 2.365 215 L HA 0.527 4.867 4.340 -0.000 0.000 0.273 215 L C -0.430 176.436 176.870 -0.007 0.000 1.000 215 L CA -0.803 54.039 54.840 0.004 0.000 0.819 215 L CB 2.081 44.142 42.059 0.004 0.000 1.284 215 L HN 0.480 nan 8.230 nan 0.000 0.418 216 E N 1.225 121.418 120.200 -0.010 0.000 2.187 216 E HA 0.386 4.736 4.350 -0.000 0.000 0.268 216 E C -0.514 176.061 176.600 -0.041 0.000 0.896 216 E CA -0.671 55.715 56.400 -0.023 0.000 0.766 216 E CB 1.789 31.480 29.700 -0.016 0.000 1.142 216 E HN 0.593 nan 8.360 nan 0.000 0.408 217 S N 1.384 117.044 115.700 -0.067 0.000 3.628 217 S HA -0.121 4.349 4.470 -0.000 0.000 0.373 217 S C -2.481 172.010 174.600 -0.183 0.000 0.968 217 S CA 0.124 58.253 58.200 -0.119 0.000 1.215 217 S CB -1.423 61.718 63.200 -0.098 0.000 0.912 217 S HN 0.404 nan 8.310 nan 0.000 0.495 218 P HA 0.699 nan 4.420 nan 0.000 0.285 218 P C -0.199 176.931 177.300 -0.283 0.000 1.280 218 P CA -0.771 62.245 63.100 -0.141 0.000 0.862 218 P CB 0.534 32.211 31.700 -0.039 0.000 1.153 219 F N 0.147 120.097 119.950 -0.001 0.000 2.397 219 F HA 0.488 5.015 4.527 -0.000 0.000 0.331 219 F C 0.596 176.395 175.800 -0.002 0.000 1.090 219 F CA -0.237 57.762 58.000 -0.001 0.000 1.065 219 F CB 0.764 39.763 39.000 -0.002 0.000 1.184 219 F HN -0.017 nan 8.300 nan 0.000 0.499 220 I N 4.033 124.713 120.570 0.184 0.000 2.448 220 I HA 0.199 4.369 4.170 -0.000 0.000 0.281 220 I C -1.056 175.113 176.117 0.087 0.000 1.027 220 I CA -0.714 60.647 61.300 0.101 0.000 1.111 220 I CB 1.514 39.551 38.000 0.061 0.000 1.236 220 I HN 0.334 nan 8.210 nan 0.000 0.452 221 L N 8.077 129.340 121.223 0.067 0.000 2.433 221 L HA 0.289 4.629 4.340 -0.000 0.000 0.275 221 L C -0.777 176.108 176.870 0.024 0.000 1.128 221 L CA 0.480 55.343 54.840 0.040 0.000 0.875 221 L CB 0.141 42.215 42.059 0.026 0.000 1.171 221 L HN 0.453 nan 8.230 nan 0.000 0.463 222 L N 6.508 127.741 121.223 0.016 0.000 2.276 222 L HA 0.732 5.072 4.340 -0.000 0.000 0.286 222 L C -0.074 176.795 176.870 -0.003 0.000 1.024 222 L CA -0.177 54.663 54.840 -0.001 0.000 0.826 222 L CB 1.204 43.258 42.059 -0.009 0.000 1.211 222 L HN 0.755 nan 8.230 nan 0.000 0.422 223 A N 1.682 124.499 122.820 -0.004 0.000 2.371 223 A HA 0.510 4.830 4.320 -0.000 0.000 0.311 223 A C -0.865 176.717 177.584 -0.005 0.000 1.068 223 A CA -0.532 51.504 52.037 -0.002 0.000 0.744 223 A CB 1.362 20.365 19.000 0.005 0.000 1.239 223 A HN 0.626 nan 8.150 nan 0.000 0.435 224 D N 1.632 122.029 120.400 -0.005 0.000 2.767 224 D HA 0.405 5.045 4.640 -0.000 0.000 0.241 224 D C -0.034 176.269 176.300 0.004 0.000 1.187 224 D CA 0.161 54.159 54.000 -0.004 0.000 0.999 224 D CB -0.519 40.276 40.800 -0.009 0.000 1.042 224 D HN 0.610 nan 8.370 nan 0.000 0.510 225 K N -0.798 119.608 120.400 0.009 0.000 2.672 225 K HA 0.383 4.703 4.320 -0.000 0.000 0.295 225 K C -1.172 175.441 176.600 0.021 0.000 1.042 225 K CA -1.178 55.118 56.287 0.015 0.000 0.869 225 K CB 0.839 33.346 32.500 0.012 0.000 1.541 225 K HN -0.207 nan 8.250 nan 0.000 0.396 226 K N 1.498 121.912 120.400 0.024 0.000 2.264 226 K HA 0.363 4.683 4.320 -0.000 0.000 0.277 226 K C -0.777 175.839 176.600 0.027 0.000 1.067 226 K CA -0.429 55.875 56.287 0.029 0.000 0.900 226 K CB 0.587 33.104 32.500 0.030 0.000 1.124 226 K HN 0.389 nan 8.250 nan 0.000 0.469 227 I N 2.551 123.140 120.570 0.031 0.000 2.282 227 I HA 0.059 4.229 4.170 -0.000 0.000 0.290 227 I C 0.674 176.813 176.117 0.036 0.000 1.090 227 I CA 0.034 61.353 61.300 0.030 0.000 1.231 227 I CB 1.198 39.216 38.000 0.030 0.000 1.434 227 I HN 0.546 nan 8.210 nan 0.000 0.487 228 S N 3.107 118.826 115.700 0.031 0.000 2.502 228 S HA 0.196 4.665 4.470 -0.000 0.000 0.215 228 S C 0.574 175.192 174.600 0.029 0.000 1.009 228 S CA -0.049 58.170 58.200 0.032 0.000 0.908 228 S CB 0.006 63.222 63.200 0.028 0.000 0.801 228 S HN 0.572 nan 8.310 nan 0.000 0.505 229 N N 1.209 119.924 118.700 0.025 0.000 2.400 229 N HA 0.385 5.125 4.740 -0.000 0.000 0.288 229 N C -0.363 175.160 175.510 0.022 0.000 1.024 229 N CA -0.262 52.801 53.050 0.021 0.000 0.894 229 N CB 1.642 40.139 38.487 0.015 0.000 1.173 229 N HN 0.069 nan 8.380 nan 0.000 0.487 230 I N 1.592 122.175 120.570 0.022 0.000 3.806 230 I HA 0.082 4.252 4.170 -0.000 0.000 0.321 230 I C 1.930 178.056 176.117 0.014 0.000 1.315 230 I CA 0.202 61.514 61.300 0.022 0.000 1.148 230 I CB 0.078 38.094 38.000 0.027 0.000 1.028 230 I HN 0.407 nan 8.210 nan 0.000 0.415 231 R N 0.595 121.102 120.500 0.011 0.000 2.140 231 R HA -0.048 4.292 4.340 -0.000 0.000 0.213 231 R C 1.634 177.937 176.300 0.005 0.000 1.059 231 R CA 0.980 57.084 56.100 0.007 0.000 1.000 231 R CB 0.101 30.405 30.300 0.006 0.000 0.910 231 R HN 0.425 nan 8.270 nan 0.000 0.455 232 E N 0.075 120.279 120.200 0.007 0.000 2.208 232 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 232 E C 1.488 178.089 176.600 0.002 0.000 0.988 232 E CA 0.712 57.115 56.400 0.004 0.000 0.828 232 E CB 0.105 29.809 29.700 0.007 0.000 0.763 232 E HN 0.320 nan 8.360 nan 0.000 0.478 233 M N 0.420 120.023 119.600 0.004 0.000 2.561 233 M HA 0.095 4.575 4.480 -0.000 0.000 0.238 233 M C 1.861 178.159 176.300 -0.004 0.000 1.131 233 M CA 0.472 55.773 55.300 0.002 0.000 1.046 233 M CB -0.117 32.489 32.600 0.010 0.000 1.532 233 M HN 0.163 nan 8.290 nan 0.000 0.497 234 L N 0.835 122.056 121.223 -0.004 0.000 2.017 234 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 234 L C -0.312 176.548 176.870 -0.017 0.000 1.073 234 L CA 1.563 56.398 54.840 -0.008 0.000 0.745 234 L CB -2.092 39.965 42.059 -0.005 0.000 0.894 234 L HN 0.173 nan 8.230 nan 0.000 0.432 235 P HA -0.092 nan 4.420 nan 0.000 0.217 235 P C 1.852 179.126 177.300 -0.042 0.000 1.150 235 P CA 1.138 64.221 63.100 -0.028 0.000 0.832 235 P CB 0.046 31.732 31.700 -0.024 0.000 0.787 236 V N -0.336 119.554 119.914 -0.041 0.000 2.407 236 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 236 V C 2.510 178.564 176.094 -0.067 0.000 1.041 236 V CA 1.308 63.573 62.300 -0.058 0.000 1.040 236 V CB -1.234 30.565 31.823 -0.040 0.000 0.671 236 V HN 0.005 nan 8.190 nan 0.000 0.455 237 L N -0.243 120.956 121.223 -0.040 0.000 2.376 237 L HA -0.083 4.257 4.340 -0.000 0.000 0.219 237 L C 2.297 179.145 176.870 -0.037 0.000 1.133 237 L CA 1.197 56.019 54.840 -0.031 0.000 0.816 237 L CB -0.344 41.710 42.059 -0.008 0.000 0.933 237 L HN 0.406 nan 8.230 nan 0.000 0.449 238 E N -0.472 119.702 120.200 -0.044 0.000 2.400 238 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 238 E C 2.042 178.603 176.600 -0.065 0.000 1.012 238 E CA 0.578 56.952 56.400 -0.042 0.000 0.875 238 E CB 0.209 29.890 29.700 -0.032 0.000 0.859 238 E HN 0.428 nan 8.360 nan 0.000 0.498 239 A N 0.496 123.258 122.820 -0.097 0.000 2.132 239 A HA 0.043 4.363 4.320 -0.000 0.000 0.213 239 A C 2.014 179.455 177.584 -0.239 0.000 1.154 239 A CA 0.316 52.263 52.037 -0.149 0.000 0.753 239 A CB 0.320 19.225 19.000 -0.159 0.000 0.826 239 A HN 0.079 nan 8.150 nan 0.000 0.469 240 V N -0.881 118.911 119.914 -0.202 0.000 3.471 240 V HA 0.056 4.176 4.120 -0.000 0.000 0.258 240 V C 2.644 178.703 176.094 -0.058 0.000 1.192 240 V CA 1.069 63.252 62.300 -0.195 0.000 1.116 240 V CB -0.105 31.648 31.823 -0.117 0.000 0.792 240 V HN 0.520 nan 8.190 nan 0.000 0.459 241 A N 0.056 122.848 122.820 -0.047 0.000 1.968 241 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 241 A C 1.317 178.895 177.584 -0.010 0.000 1.169 241 A CA 0.861 52.889 52.037 -0.014 0.000 0.638 241 A CB -0.149 18.843 19.000 -0.014 0.000 0.812 241 A HN 0.514 nan 8.150 nan 0.000 0.446 242 K N -1.591 118.790 120.400 -0.031 0.000 2.185 242 K HA 0.481 4.801 4.320 -0.000 0.000 0.271 242 K C 0.850 177.449 176.600 -0.001 0.000 1.013 242 K CA 0.313 56.588 56.287 -0.020 0.000 0.943 242 K CB 0.764 33.242 32.500 -0.036 0.000 0.998 242 K HN 0.613 nan 8.250 nan 0.000 0.468 243 A N 1.944 124.782 122.820 0.029 0.000 3.995 243 A HA -0.180 4.140 4.320 -0.000 0.000 0.247 243 A C 1.119 178.753 177.584 0.084 0.000 0.802 243 A CA 1.248 53.328 52.037 0.073 0.000 1.413 243 A CB -2.356 16.726 19.000 0.135 0.000 1.038 243 A HN 1.543 nan 8.150 nan 0.000 0.728 244 G N -0.763 108.082 108.800 0.074 0.000 2.326 244 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.286 244 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.286 244 G C -0.289 174.667 174.900 0.094 0.000 1.096 244 G CA 1.309 46.450 45.100 0.068 0.000 1.003 244 G HN 1.175 nan 8.290 nan 0.000 0.503 245 K N -0.133 120.358 120.400 0.152 0.000 2.395 245 K HA 0.575 4.895 4.320 -0.000 0.000 0.247 245 K C -2.462 174.242 176.600 0.174 0.000 0.973 245 K CA -2.280 54.111 56.287 0.173 0.000 0.828 245 K CB 2.341 35.002 32.500 0.269 0.000 1.272 245 K HN 0.015 nan 8.250 nan 0.000 0.439 246 P HA 0.080 nan 4.420 nan 0.000 0.271 246 P C -1.300 176.083 177.300 0.139 0.000 1.244 246 P CA -0.455 62.699 63.100 0.089 0.000 0.793 246 P CB 0.448 32.172 31.700 0.040 0.000 0.984 247 L N 1.248 122.522 121.223 0.086 0.000 2.431 247 L HA 0.637 4.977 4.340 -0.000 0.000 0.266 247 L C -1.726 175.158 176.870 0.023 0.000 0.978 247 L CA -0.790 54.104 54.840 0.090 0.000 0.822 247 L CB 1.798 43.898 42.059 0.068 0.000 1.310 247 L HN 0.124 nan 8.230 nan 0.000 0.409 248 L N 5.550 126.795 121.223 0.036 0.000 2.341 248 L HA 0.662 5.002 4.340 -0.000 0.000 0.278 248 L C -1.276 175.602 176.870 0.013 0.000 1.005 248 L CA -0.311 54.532 54.840 0.004 0.000 0.818 248 L CB 1.601 43.677 42.059 0.028 0.000 1.259 248 L HN 0.436 nan 8.230 nan 0.000 0.418 249 I N 7.082 127.643 120.570 -0.014 0.000 2.330 249 I HA 0.289 4.459 4.170 -0.000 0.000 0.286 249 I C -0.170 175.964 176.117 0.028 0.000 1.025 249 I CA -0.170 61.132 61.300 0.002 0.000 1.197 249 I CB 0.800 38.791 38.000 -0.015 0.000 1.358 249 I HN 0.546 nan 8.210 nan 0.000 0.467 250 I N 5.768 126.358 120.570 0.033 0.000 2.417 250 I HA 0.456 4.626 4.170 -0.000 0.000 0.283 250 I C 0.664 176.787 176.117 0.009 0.000 1.121 250 I CA -0.166 61.153 61.300 0.032 0.000 1.211 250 I CB 0.560 38.561 38.000 0.002 0.000 1.492 250 I HN 0.593 nan 8.210 nan 0.000 0.522 251 A N 3.325 126.160 122.820 0.024 0.000 2.282 251 A HA 0.426 4.746 4.320 -0.000 0.000 0.324 251 A C 1.115 178.715 177.584 0.027 0.000 1.119 251 A CA -0.475 51.575 52.037 0.021 0.000 0.880 251 A CB 1.086 20.103 19.000 0.028 0.000 1.294 251 A HN 0.623 nan 8.150 nan 0.000 0.493 252 E N -0.868 119.347 120.200 0.026 0.000 2.106 252 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 252 E C -0.649 175.979 176.600 0.048 0.000 0.984 252 E CA 1.252 57.672 56.400 0.034 0.000 0.806 252 E CB 0.195 29.915 29.700 0.032 0.000 0.750 252 E HN 0.580 nan 8.360 nan 0.000 0.458 253 D N -1.561 118.868 120.400 0.049 0.000 2.734 253 D HA 0.126 4.766 4.640 -0.000 0.000 0.224 253 D C -1.823 174.513 176.300 0.060 0.000 1.222 253 D CA -0.415 53.620 54.000 0.058 0.000 0.761 253 D CB 2.135 42.967 40.800 0.054 0.000 1.569 253 D HN -0.162 nan 8.370 nan 0.000 0.477 254 V N 3.324 123.283 119.914 0.075 0.000 2.304 254 V HA 0.438 4.558 4.120 -0.000 0.000 0.278 254 V C 0.002 176.149 176.094 0.089 0.000 1.018 254 V CA -0.517 61.831 62.300 0.081 0.000 0.814 254 V CB 1.265 33.146 31.823 0.096 0.000 1.021 254 V HN 0.355 nan 8.190 nan 0.000 0.440 255 E N 2.470 122.711 120.200 0.069 0.000 2.263 255 E HA 0.721 5.071 4.350 -0.000 0.000 0.264 255 E C 0.997 177.629 176.600 0.054 0.000 0.923 255 E CA -0.101 56.336 56.400 0.062 0.000 0.802 255 E CB 2.106 31.835 29.700 0.049 0.000 1.228 255 E HN 0.707 nan 8.360 nan 0.000 0.417 256 G N 1.951 110.779 108.800 0.048 0.000 2.698 256 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.337 256 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.337 256 G C 1.126 176.046 174.900 0.034 0.000 1.196 256 G CA 0.794 45.915 45.100 0.035 0.000 0.965 256 G HN 0.650 nan 8.290 nan 0.000 0.550 257 E N 1.573 121.790 120.200 0.029 0.000 2.106 257 E HA 0.050 4.400 4.350 -0.000 0.000 0.192 257 E C 2.908 179.529 176.600 0.035 0.000 0.984 257 E CA 1.847 58.262 56.400 0.025 0.000 0.806 257 E CB -0.427 29.285 29.700 0.020 0.000 0.750 257 E HN 0.728 nan 8.360 nan 0.000 0.458 258 A N 0.842 123.689 122.820 0.045 0.000 1.898 258 A HA -0.080 4.240 4.320 -0.000 0.000 0.214 258 A C 2.136 179.772 177.584 0.087 0.000 1.183 258 A CA 0.758 52.829 52.037 0.056 0.000 0.622 258 A CB -0.461 18.570 19.000 0.052 0.000 0.824 258 A HN 0.296 nan 8.150 nan 0.000 0.444 259 L N -0.396 120.886 121.223 0.098 0.000 2.093 259 L HA 0.061 4.401 4.340 -0.000 0.000 0.208 259 L C 2.489 179.429 176.870 0.118 0.000 1.085 259 L CA 1.929 56.859 54.840 0.149 0.000 0.755 259 L CB -0.435 41.709 42.059 0.143 0.000 0.904 259 L HN 0.310 nan 8.230 nan 0.000 0.435 260 A N -2.322 120.534 122.820 0.059 0.000 2.123 260 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 260 A C 2.080 179.670 177.584 0.009 0.000 1.152 260 A CA 1.451 53.495 52.037 0.012 0.000 0.728 260 A CB -0.639 18.358 19.000 -0.005 0.000 0.814 260 A HN 0.454 nan 8.150 nan 0.000 0.464 261 T N -0.072 114.505 114.554 0.038 0.000 3.035 261 T HA 0.127 4.477 4.350 -0.000 0.000 0.259 261 T C 1.697 176.439 174.700 0.070 0.000 1.078 261 T CA 0.653 62.776 62.100 0.037 0.000 1.132 261 T CB -0.150 68.738 68.868 0.033 0.000 0.900 261 T HN 0.332 nan 8.240 nan 0.000 0.480 262 L N 0.645 121.944 121.223 0.127 0.000 2.072 262 L HA 0.013 4.353 4.340 -0.000 0.000 0.205 262 L C 2.541 179.598 176.870 0.311 0.000 1.079 262 L CA 0.729 55.702 54.840 0.223 0.000 0.752 262 L CB -0.473 41.747 42.059 0.268 0.000 0.906 262 L HN 0.104 nan 8.230 nan 0.000 0.436 263 V N -0.846 119.166 119.914 0.164 0.000 2.626 263 V HA -0.199 3.921 4.120 -0.000 0.000 0.252 263 V C 2.272 178.302 176.094 -0.106 0.000 1.067 263 V CA 1.114 63.328 62.300 -0.143 0.000 1.081 263 V CB 0.145 31.747 31.823 -0.369 0.000 0.686 263 V HN 0.186 nan 8.190 nan 0.000 0.468 264 V N 0.036 119.914 119.914 -0.060 0.000 2.302 264 V HA -0.174 3.946 4.120 -0.000 0.000 0.243 264 V C 2.090 178.179 176.094 -0.009 0.000 1.036 264 V CA 2.058 64.319 62.300 -0.065 0.000 1.020 264 V CB -0.647 31.140 31.823 -0.060 0.000 0.657 264 V HN 0.584 nan 8.190 nan 0.000 0.453 265 N N 0.156 118.875 118.700 0.031 0.000 2.270 265 N HA -0.148 4.592 4.740 -0.000 0.000 0.181 265 N C 1.924 177.474 175.510 0.067 0.000 1.016 265 N CA 1.777 54.853 53.050 0.045 0.000 0.870 265 N CB -0.011 38.506 38.487 0.050 0.000 0.979 265 N HN 0.660 nan 8.380 nan 0.000 0.431 266 T N -1.065 113.560 114.554 0.117 0.000 2.985 266 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 266 T C 1.776 176.539 174.700 0.104 0.000 1.076 266 T CA 0.441 62.623 62.100 0.138 0.000 1.135 266 T CB -0.011 69.007 68.868 0.250 0.000 0.890 266 T HN 0.087 nan 8.240 nan 0.000 0.480 267 M N 0.162 119.807 119.600 0.076 0.000 2.447 267 M HA 0.217 4.697 4.480 -0.000 0.000 0.264 267 M C 1.925 178.237 176.300 0.021 0.000 1.095 267 M CA 0.776 56.101 55.300 0.041 0.000 1.125 267 M CB 0.034 32.635 32.600 0.002 0.000 1.389 267 M HN 0.124 nan 8.290 nan 0.000 0.459 268 R N -0.432 120.078 120.500 0.017 0.000 2.334 268 R HA 0.162 4.502 4.340 -0.000 0.000 0.220 268 R C 1.196 177.506 176.300 0.016 0.000 0.917 268 R CA 0.551 56.657 56.100 0.009 0.000 1.073 268 R CB 0.209 30.510 30.300 0.002 0.000 1.056 268 R HN 0.648 nan 8.270 nan 0.000 0.506 269 G N 1.579 110.396 108.800 0.028 0.000 2.336 269 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.233 269 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.233 269 G C 0.384 175.303 174.900 0.032 0.000 1.053 269 G CA -0.166 44.952 45.100 0.029 0.000 0.625 269 G HN 0.269 nan 8.290 nan 0.000 0.511 270 I N 2.612 123.199 120.570 0.029 0.000 2.886 270 I HA 0.287 4.457 4.170 -0.000 0.000 0.293 270 I C 0.946 177.085 176.117 0.036 0.000 1.157 270 I CA 0.436 61.752 61.300 0.027 0.000 1.472 270 I CB -0.491 37.522 38.000 0.021 0.000 1.492 270 I HN 0.371 nan 8.210 nan 0.000 0.652 271 V N 4.343 124.278 119.914 0.036 0.000 3.625 271 V HA -0.232 3.888 4.120 -0.000 0.000 0.501 271 V C 0.375 176.500 176.094 0.052 0.000 0.682 271 V CA 0.351 62.675 62.300 0.041 0.000 2.035 271 V CB -1.107 30.735 31.823 0.033 0.000 2.457 271 V HN 0.719 nan 8.190 nan 0.000 0.508 272 K N 4.283 124.715 120.400 0.053 0.000 2.294 272 K HA 0.514 4.834 4.320 -0.000 0.000 0.288 272 K C -0.356 176.264 176.600 0.033 0.000 1.072 272 K CA 0.129 56.450 56.287 0.057 0.000 0.960 272 K CB 0.902 33.432 32.500 0.051 0.000 1.043 272 K HN 0.565 nan 8.250 nan 0.000 0.455 273 V N 2.142 122.066 119.914 0.016 0.000 2.540 273 V HA 0.722 4.842 4.120 -0.000 0.000 0.302 273 V C -0.398 175.509 176.094 -0.311 0.000 1.035 273 V CA -1.220 61.038 62.300 -0.070 0.000 0.873 273 V CB 1.797 33.602 31.823 -0.030 0.000 0.992 273 V HN 0.701 nan 8.190 nan 0.000 0.428 274 A N 3.498 126.083 122.820 -0.392 0.000 2.318 274 A HA 0.908 5.228 4.320 -0.000 0.000 0.317 274 A C -0.053 177.213 177.584 -0.530 0.000 1.159 274 A CA -0.420 51.169 52.037 -0.747 0.000 0.799 274 A CB 1.358 20.145 19.000 -0.355 0.000 1.194 274 A HN 1.326 nan 8.150 nan 0.000 0.479 275 A N 2.167 124.577 122.820 -0.683 0.000 2.260 275 A HA 0.663 4.983 4.320 -0.000 0.000 0.314 275 A C 0.048 177.647 177.584 0.025 0.000 1.257 275 A CA -0.136 51.800 52.037 -0.167 0.000 0.871 275 A CB 0.130 19.134 19.000 0.005 0.000 1.166 275 A HN 2.115 nan 8.150 nan 0.000 0.522 276 V N 0.277 120.229 119.914 0.064 0.000 3.040 276 V HA 0.637 4.757 4.120 -0.000 0.000 0.312 276 V C -0.326 175.848 176.094 0.134 0.000 1.115 276 V CA -1.246 61.128 62.300 0.123 0.000 0.998 276 V CB 1.483 33.398 31.823 0.155 0.000 1.042 276 V HN 0.823 nan 8.190 nan 0.000 0.433 277 K N 1.545 122.031 120.400 0.144 0.000 2.138 277 K HA 0.719 5.039 4.320 -0.000 0.000 0.251 277 K C 0.193 176.873 176.600 0.132 0.000 1.015 277 K CA 0.136 56.497 56.287 0.123 0.000 0.917 277 K CB 1.221 33.784 32.500 0.105 0.000 1.021 277 K HN 1.098 nan 8.250 nan 0.000 0.485 278 A N 2.593 125.444 122.820 0.052 0.000 2.354 278 A HA 0.356 4.676 4.320 -0.000 0.000 0.269 278 A C -2.320 175.258 177.584 -0.010 0.000 1.109 278 A CA -1.539 50.472 52.037 -0.043 0.000 0.800 278 A CB -0.033 18.936 19.000 -0.052 0.000 1.045 278 A HN 0.360 nan 8.150 nan 0.000 0.489 279 P HA 0.428 nan 4.420 nan 0.000 0.271 279 P C 0.841 178.156 177.300 0.026 0.000 1.220 279 P CA 1.622 64.724 63.100 0.003 0.000 0.768 279 P CB 0.806 32.438 31.700 -0.114 0.000 0.848 280 G N 2.379 111.243 108.800 0.107 0.000 2.542 280 G HA2 0.022 3.982 3.960 -0.000 0.000 0.235 280 G HA3 0.022 3.982 3.960 -0.000 0.000 0.235 280 G C -0.987 174.075 174.900 0.271 0.000 1.286 280 G CA -0.015 45.175 45.100 0.150 0.000 0.904 280 G HN 0.686 nan 8.290 nan 0.000 0.577 281 F N -2.462 117.501 119.950 0.021 0.000 2.703 281 F HA 0.694 5.221 4.527 -0.000 0.000 0.308 281 F C 1.017 176.830 175.800 0.021 0.000 1.126 281 F CA 0.556 58.568 58.000 0.021 0.000 0.959 281 F CB 1.010 40.027 39.000 0.029 0.000 1.297 281 F HN 2.453 nan 8.300 nan 0.000 0.441 282 G N 1.951 110.787 108.800 0.059 0.000 2.675 282 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.312 282 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.312 282 G C 0.487 175.336 174.900 -0.085 0.000 1.186 282 G CA 0.884 45.968 45.100 -0.026 0.000 0.965 282 G HN 0.803 nan 8.290 nan 0.000 0.548 283 D N 0.827 121.138 120.400 -0.149 0.000 2.197 283 D HA 0.044 4.684 4.640 -0.000 0.000 0.212 283 D C 2.507 178.739 176.300 -0.113 0.000 0.963 283 D CA 1.313 55.250 54.000 -0.105 0.000 0.864 283 D CB -0.196 40.550 40.800 -0.090 0.000 1.009 283 D HN 0.637 nan 8.370 nan 0.000 0.479 284 R N 1.086 121.489 120.500 -0.162 0.000 2.307 284 R HA 0.105 4.445 4.340 -0.000 0.000 0.199 284 R C 1.921 178.148 176.300 -0.120 0.000 1.000 284 R CA 0.442 56.460 56.100 -0.137 0.000 1.023 284 R CB -0.071 30.136 30.300 -0.156 0.000 0.908 284 R HN -0.022 nan 8.270 nan 0.000 0.473 285 R N 1.574 122.004 120.500 -0.117 0.000 2.090 285 R HA -0.042 4.298 4.340 -0.000 0.000 0.228 285 R C 1.078 177.334 176.300 -0.073 0.000 1.110 285 R CA 1.446 57.500 56.100 -0.076 0.000 0.973 285 R CB 0.064 30.346 30.300 -0.030 0.000 0.869 285 R HN 0.286 nan 8.270 nan 0.000 0.440 286 K N -0.114 120.248 120.400 -0.064 0.000 2.228 286 K HA 0.077 4.397 4.320 -0.000 0.000 0.202 286 K C 2.032 178.597 176.600 -0.060 0.000 1.051 286 K CA 0.878 57.132 56.287 -0.054 0.000 0.960 286 K CB 0.072 32.548 32.500 -0.039 0.000 0.743 286 K HN 0.150 nan 8.250 nan 0.000 0.458 287 A N 1.411 124.191 122.820 -0.066 0.000 1.930 287 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 287 A C 2.053 179.594 177.584 -0.073 0.000 1.175 287 A CA 1.264 53.263 52.037 -0.064 0.000 0.627 287 A CB -0.369 18.591 19.000 -0.067 0.000 0.815 287 A HN 0.163 nan 8.150 nan 0.000 0.443 288 M N -0.830 118.716 119.600 -0.090 0.000 2.506 288 M HA 0.134 4.614 4.480 -0.000 0.000 0.260 288 M C 1.605 177.821 176.300 -0.140 0.000 1.104 288 M CA 0.560 55.794 55.300 -0.111 0.000 1.112 288 M CB -0.192 32.333 32.600 -0.126 0.000 1.401 288 M HN 0.309 nan 8.290 nan 0.000 0.473 289 L N -0.198 120.951 121.223 -0.123 0.000 2.291 289 L HA -0.149 4.191 4.340 -0.000 0.000 0.214 289 L C 2.443 179.264 176.870 -0.082 0.000 1.120 289 L CA 0.789 55.559 54.840 -0.116 0.000 0.799 289 L CB -0.293 41.714 42.059 -0.087 0.000 0.925 289 L HN 0.263 nan 8.230 nan 0.000 0.446 290 Q N -0.170 119.589 119.800 -0.068 0.000 2.354 290 Q HA -0.120 4.220 4.340 -0.000 0.000 0.203 290 Q C 1.438 177.407 176.000 -0.051 0.000 0.933 290 Q CA 1.013 56.786 55.803 -0.050 0.000 0.901 290 Q CB 0.132 28.845 28.738 -0.042 0.000 1.007 290 Q HN 0.307 nan 8.270 nan 0.000 0.495 291 D N -0.610 119.751 120.400 -0.065 0.000 2.219 291 D HA -0.063 4.577 4.640 -0.000 0.000 0.205 291 D C 1.220 177.486 176.300 -0.055 0.000 0.970 291 D CA 0.966 54.931 54.000 -0.058 0.000 0.851 291 D CB 0.155 40.915 40.800 -0.067 0.000 0.943 291 D HN 0.374 nan 8.370 nan 0.000 0.488 292 I N -0.134 120.390 120.570 -0.077 0.000 2.852 292 I HA 0.033 4.203 4.170 -0.000 0.000 0.264 292 I C 2.187 178.283 176.117 -0.035 0.000 1.179 292 I CA 0.323 61.585 61.300 -0.065 0.000 1.480 292 I CB 0.017 37.947 38.000 -0.116 0.000 1.111 292 I HN -0.095 nan 8.210 nan 0.000 0.441 293 A N 0.860 123.658 122.820 -0.036 0.000 1.970 293 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 293 A C 2.332 179.908 177.584 -0.013 0.000 1.170 293 A CA 1.767 53.793 52.037 -0.020 0.000 0.645 293 A CB -0.821 18.166 19.000 -0.021 0.000 0.816 293 A HN 0.343 nan 8.150 nan 0.000 0.447 294 T N 0.294 114.838 114.554 -0.017 0.000 2.904 294 T HA -0.027 4.323 4.350 -0.000 0.000 0.267 294 T C 1.710 176.404 174.700 -0.010 0.000 1.059 294 T CA 1.033 63.125 62.100 -0.013 0.000 1.137 294 T CB -0.169 68.690 68.868 -0.016 0.000 0.879 294 T HN 0.282 nan 8.240 nan 0.000 0.467 295 L N 2.298 123.515 121.223 -0.010 0.000 2.395 295 L HA 0.050 4.390 4.340 -0.000 0.000 0.218 295 L C 2.038 178.907 176.870 -0.003 0.000 1.130 295 L CA 1.782 56.620 54.840 -0.005 0.000 0.826 295 L CB -1.004 41.055 42.059 -0.000 0.000 0.941 295 L HN 0.453 nan 8.230 nan 0.000 0.451 296 T N -4.818 109.734 114.554 -0.003 0.000 2.969 296 T HA 0.249 4.599 4.350 -0.000 0.000 0.250 296 T C 1.253 175.952 174.700 -0.002 0.000 1.021 296 T CA 0.513 62.611 62.100 -0.003 0.000 1.003 296 T CB 0.264 69.134 68.868 0.003 0.000 1.040 296 T HN 0.414 nan 8.240 nan 0.000 0.492 297 G N 0.750 109.551 108.800 0.001 0.000 2.248 297 G HA2 0.159 4.119 3.960 -0.000 0.000 0.263 297 G HA3 0.159 4.119 3.960 -0.000 0.000 0.263 297 G C 0.291 175.201 174.900 0.017 0.000 1.082 297 G CA -0.124 44.980 45.100 0.006 0.000 0.863 297 G HN 1.024 nan 8.290 nan 0.000 0.495 298 G N -1.563 107.247 108.800 0.016 0.000 3.075 298 G HA2 0.880 4.840 3.960 -0.000 0.000 0.253 298 G HA3 0.880 4.840 3.960 -0.000 0.000 0.253 298 G C -0.532 174.376 174.900 0.013 0.000 1.353 298 G CA 0.170 45.285 45.100 0.025 0.000 1.051 298 G HN 0.827 nan 8.290 nan 0.000 0.553 299 T N 0.188 114.750 114.554 0.013 0.000 2.937 299 T HA 0.385 4.735 4.350 -0.000 0.000 0.297 299 T C -0.397 174.303 174.700 -0.000 0.000 0.991 299 T CA -0.319 61.783 62.100 0.004 0.000 0.990 299 T CB 1.697 70.568 68.868 0.005 0.000 0.991 299 T HN 0.386 nan 8.240 nan 0.000 0.440 300 V N 4.736 124.645 119.914 -0.008 0.000 2.425 300 V HA 0.131 4.251 4.120 -0.000 0.000 0.276 300 V C 0.622 176.711 176.094 -0.008 0.000 1.017 300 V CA -0.072 62.221 62.300 -0.012 0.000 1.062 300 V CB -0.557 31.253 31.823 -0.021 0.000 0.997 300 V HN 0.779 nan 8.190 nan 0.000 0.476 301 I N 5.687 126.254 120.570 -0.005 0.000 2.278 301 I HA 0.149 4.319 4.170 -0.000 0.000 0.300 301 I C 0.814 176.929 176.117 -0.004 0.000 1.174 301 I CA 0.283 61.581 61.300 -0.003 0.000 1.347 301 I CB -0.051 37.949 38.000 -0.001 0.000 1.473 301 I HN 0.705 nan 8.210 nan 0.000 0.595 302 S N 3.014 118.712 115.700 -0.005 0.000 2.578 302 S HA 0.340 4.810 4.470 -0.000 0.000 0.283 302 S C 0.690 175.289 174.600 -0.001 0.000 1.195 302 S CA -0.848 57.350 58.200 -0.004 0.000 1.050 302 S CB 1.945 65.141 63.200 -0.006 0.000 1.012 302 S HN 0.561 nan 8.310 nan 0.000 0.511 303 E N 1.245 121.446 120.200 0.001 0.000 2.285 303 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 303 E C 1.387 177.988 176.600 0.001 0.000 0.997 303 E CA 0.677 57.078 56.400 0.002 0.000 0.845 303 E CB -0.052 29.651 29.700 0.004 0.000 0.782 303 E HN 0.788 nan 8.360 nan 0.000 0.491 304 E N 0.755 120.955 120.200 0.000 0.000 2.110 304 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 304 E C 1.872 178.471 176.600 -0.002 0.000 0.988 304 E CA 0.866 57.266 56.400 -0.001 0.000 0.804 304 E CB 0.013 29.712 29.700 -0.002 0.000 0.745 304 E HN 0.323 nan 8.360 nan 0.000 0.458 305 I N -0.950 119.619 120.570 -0.003 0.000 3.226 305 I HA 0.079 4.249 4.170 -0.000 0.000 0.277 305 I C 1.463 177.579 176.117 -0.002 0.000 1.243 305 I CA 0.563 61.861 61.300 -0.003 0.000 1.459 305 I CB 0.301 38.298 38.000 -0.004 0.000 1.093 305 I HN 0.238 nan 8.210 nan 0.000 0.453 306 G N 1.118 109.917 108.800 -0.001 0.000 2.184 306 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.206 306 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.206 306 G C 0.235 175.134 174.900 -0.001 0.000 0.995 306 G CA -0.496 44.604 45.100 -0.001 0.000 0.651 306 G HN 0.191 nan 8.290 nan 0.000 0.511 307 M N 0.925 120.524 119.600 -0.002 0.000 2.235 307 M HA 0.538 5.018 4.480 -0.000 0.000 0.351 307 M C 0.548 176.848 176.300 -0.001 0.000 1.178 307 M CA 0.262 55.560 55.300 -0.002 0.000 1.143 307 M CB 0.897 33.495 32.600 -0.003 0.000 1.530 307 M HN 0.269 nan 8.290 nan 0.000 0.461 308 E N 1.406 121.605 120.200 -0.002 0.000 2.334 308 E HA 0.400 4.750 4.350 -0.000 0.000 0.256 308 E C 0.049 176.648 176.600 -0.002 0.000 0.958 308 E CA -0.734 55.665 56.400 -0.001 0.000 0.821 308 E CB 1.535 31.234 29.700 -0.001 0.000 1.269 308 E HN 0.617 nan 8.360 nan 0.000 0.413 309 L N 0.602 121.824 121.223 -0.002 0.000 2.554 309 L HA 0.068 4.408 4.340 -0.000 0.000 0.225 309 L C 1.524 178.390 176.870 -0.007 0.000 1.104 309 L CA 0.416 55.254 54.840 -0.003 0.000 0.866 309 L CB 0.092 42.152 42.059 0.001 0.000 1.047 309 L HN 0.465 nan 8.230 nan 0.000 0.468 310 E N 0.297 120.493 120.200 -0.006 0.000 2.076 310 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 310 E C 1.504 178.097 176.600 -0.011 0.000 0.979 310 E CA 0.681 57.075 56.400 -0.009 0.000 0.807 310 E CB 0.127 29.824 29.700 -0.006 0.000 0.761 310 E HN 0.075 nan 8.360 nan 0.000 0.454 311 K N 0.665 121.060 120.400 -0.009 0.000 2.611 311 K HA 0.141 4.461 4.320 -0.000 0.000 0.193 311 K C -0.133 176.460 176.600 -0.012 0.000 1.026 311 K CA 0.158 56.439 56.287 -0.010 0.000 1.063 311 K CB 0.032 32.529 32.500 -0.007 0.000 0.839 311 K HN 0.035 nan 8.250 nan 0.000 0.505 312 A N 1.521 124.332 122.820 -0.015 0.000 2.290 312 A HA 0.354 4.674 4.320 -0.000 0.000 0.310 312 A C 0.675 178.241 177.584 -0.030 0.000 1.202 312 A CA -0.534 51.492 52.037 -0.018 0.000 0.837 312 A CB 0.514 19.505 19.000 -0.015 0.000 1.139 312 A HN 0.255 nan 8.150 nan 0.000 0.509 313 T N -0.036 114.500 114.554 -0.030 0.000 2.906 313 T HA 0.503 4.853 4.350 -0.000 0.000 0.283 313 T C 0.978 175.637 174.700 -0.068 0.000 1.098 313 T CA -0.403 61.670 62.100 -0.046 0.000 0.960 313 T CB 0.101 68.950 68.868 -0.031 0.000 1.776 313 T HN 0.274 nan 8.240 nan 0.000 0.594 314 L N -0.072 121.101 121.223 -0.084 0.000 2.477 314 L HA 0.275 4.615 4.340 -0.000 0.000 0.220 314 L C 2.858 179.738 176.870 0.016 0.000 1.106 314 L CA 0.673 55.437 54.840 -0.127 0.000 0.851 314 L CB -0.243 41.694 42.059 -0.203 0.000 0.994 314 L HN 0.785 nan 8.230 nan 0.000 0.462 315 E N 0.217 120.433 120.200 0.025 0.000 2.122 315 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 315 E C 1.211 177.841 176.600 0.050 0.000 0.977 315 E CA 0.803 57.234 56.400 0.052 0.000 0.820 315 E CB 0.300 30.018 29.700 0.030 0.000 0.770 315 E HN 0.394 nan 8.360 nan 0.000 0.462 316 D N 0.417 120.834 120.400 0.029 0.000 2.309 316 D HA -0.109 4.531 4.640 -0.000 0.000 0.212 316 D C 0.088 176.414 176.300 0.044 0.000 0.968 316 D CA 0.558 54.574 54.000 0.026 0.000 0.882 316 D CB -0.035 40.771 40.800 0.010 0.000 0.918 316 D HN 0.119 nan 8.370 nan 0.000 0.503 317 L N 0.993 122.262 121.223 0.076 0.000 2.319 317 L HA 0.306 4.646 4.340 -0.000 0.000 0.280 317 L C 1.468 178.429 176.870 0.151 0.000 1.099 317 L CA -0.179 54.741 54.840 0.133 0.000 0.828 317 L CB 0.977 43.160 42.059 0.207 0.000 1.150 317 L HN -0.136 nan 8.230 nan 0.000 0.442 318 G N 2.621 111.479 108.800 0.097 0.000 2.712 318 G HA2 0.320 4.280 3.960 -0.000 0.000 0.258 318 G HA3 0.320 4.280 3.960 -0.000 0.000 0.258 318 G C -0.652 174.267 174.900 0.032 0.000 1.241 318 G CA -0.184 44.950 45.100 0.056 0.000 0.923 318 G HN 0.600 nan 8.290 nan 0.000 0.548 319 Q N -1.980 117.802 119.800 -0.029 0.000 2.479 319 Q HA 0.547 4.887 4.340 -0.000 0.000 0.276 319 Q C -1.042 174.904 176.000 -0.089 0.000 0.989 319 Q CA -0.649 55.083 55.803 -0.118 0.000 0.864 319 Q CB 1.971 30.579 28.738 -0.217 0.000 1.444 319 Q HN 1.021 nan 8.270 nan 0.000 0.388 320 A N 1.709 124.464 122.820 -0.108 0.000 2.567 320 A HA 0.526 4.846 4.320 -0.000 0.000 0.289 320 A C -0.666 176.869 177.584 -0.082 0.000 1.177 320 A CA -0.534 51.462 52.037 -0.070 0.000 0.694 320 A CB 1.418 20.396 19.000 -0.036 0.000 1.292 320 A HN 0.755 nan 8.150 nan 0.000 0.425 321 K N -0.695 119.672 120.400 -0.055 0.000 2.166 321 K HA 0.141 4.461 4.320 -0.000 0.000 0.201 321 K C 0.656 177.230 176.600 -0.042 0.000 1.052 321 K CA 0.913 57.170 56.287 -0.051 0.000 0.969 321 K CB 0.303 32.782 32.500 -0.036 0.000 0.761 321 K HN 0.512 nan 8.250 nan 0.000 0.459 322 R N 0.216 120.697 120.500 -0.031 0.000 2.634 322 R HA 0.203 4.543 4.340 -0.000 0.000 0.263 322 R C -2.007 174.284 176.300 -0.013 0.000 1.060 322 R CA -0.551 55.536 56.100 -0.021 0.000 0.898 322 R CB 1.984 32.274 30.300 -0.016 0.000 1.253 322 R HN -0.067 nan 8.270 nan 0.000 0.461 323 V N 0.380 120.289 119.914 -0.009 0.000 2.577 323 V HA 0.695 4.815 4.120 -0.000 0.000 0.303 323 V C -0.876 175.215 176.094 -0.005 0.000 1.042 323 V CA -0.787 61.510 62.300 -0.005 0.000 0.872 323 V CB 1.826 33.652 31.823 0.005 0.000 0.998 323 V HN 0.394 nan 8.190 nan 0.000 0.423 324 V N 5.960 125.864 119.914 -0.017 0.000 2.370 324 V HA 0.562 4.682 4.120 -0.000 0.000 0.283 324 V C -0.182 175.895 176.094 -0.029 0.000 1.023 324 V CA -0.264 62.030 62.300 -0.011 0.000 0.857 324 V CB 1.467 33.283 31.823 -0.011 0.000 0.985 324 V HN 0.848 nan 8.190 nan 0.000 0.443 325 I N 5.186 125.768 120.570 0.019 0.000 2.537 325 I HA 0.366 4.536 4.170 -0.000 0.000 0.276 325 I C 0.278 176.465 176.117 0.116 0.000 1.063 325 I CA -0.307 61.011 61.300 0.030 0.000 1.144 325 I CB 0.881 38.939 38.000 0.098 0.000 1.252 325 I HN 0.553 nan 8.210 nan 0.000 0.480 326 N N 4.337 123.036 118.700 -0.001 0.000 2.294 326 N HA 0.086 4.826 4.740 -0.000 0.000 0.275 326 N C 1.287 176.634 175.510 -0.273 0.000 1.291 326 N CA -0.161 52.894 53.050 0.008 0.000 0.933 326 N CB 0.602 39.071 38.487 -0.030 0.000 1.096 326 N HN 0.448 nan 8.380 nan 0.000 0.525 327 K N -0.030 120.201 120.400 -0.281 0.000 2.057 327 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 327 K C -0.396 175.876 176.600 -0.547 0.000 1.049 327 K CA 1.839 57.749 56.287 -0.628 0.000 0.931 327 K CB -0.010 32.395 32.500 -0.158 0.000 0.714 327 K HN 0.638 nan 8.250 nan 0.000 0.440 328 D N -1.231 118.995 120.400 -0.290 0.000 2.785 328 D HA 0.123 4.763 4.640 -0.000 0.000 0.324 328 D C -1.051 175.156 176.300 -0.155 0.000 1.523 328 D CA -0.447 53.438 54.000 -0.192 0.000 0.789 328 D CB 1.009 41.742 40.800 -0.112 0.000 1.171 328 D HN -0.170 nan 8.370 nan 0.000 0.447 329 T N -0.189 114.247 114.554 -0.197 0.000 3.395 329 T HA 0.423 4.773 4.350 -0.000 0.000 0.330 329 T C -1.136 173.387 174.700 -0.294 0.000 1.076 329 T CA -0.472 61.497 62.100 -0.218 0.000 1.070 329 T CB 1.845 70.628 68.868 -0.141 0.000 1.119 329 T HN -0.082 nan 8.240 nan 0.000 0.462 330 T N 2.707 116.935 114.554 -0.542 0.000 2.772 330 T HA 0.542 4.892 4.350 -0.000 0.000 0.288 330 T C -0.030 174.283 174.700 -0.646 0.000 0.994 330 T CA -0.415 61.324 62.100 -0.601 0.000 0.951 330 T CB 1.433 69.903 68.868 -0.663 0.000 0.933 330 T HN 0.530 nan 8.240 nan 0.000 0.447 331 T N 3.747 118.129 114.554 -0.286 0.000 2.824 331 T HA 0.671 5.021 4.350 -0.000 0.000 0.280 331 T C -0.426 174.242 174.700 -0.054 0.000 0.995 331 T CA -0.685 61.326 62.100 -0.149 0.000 1.009 331 T CB 0.105 68.917 68.868 -0.093 0.000 0.955 331 T HN 0.452 nan 8.240 nan 0.000 0.452 332 I N 6.212 126.792 120.570 0.017 0.000 2.354 332 I HA 0.439 4.609 4.170 -0.000 0.000 0.286 332 I C -0.415 175.716 176.117 0.024 0.000 1.007 332 I CA -0.647 60.681 61.300 0.047 0.000 1.167 332 I CB 1.446 39.511 38.000 0.110 0.000 1.320 332 I HN 0.514 nan 8.210 nan 0.000 0.458 333 I N 5.636 126.210 120.570 0.007 0.000 2.328 333 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 333 I C -0.489 175.623 176.117 -0.007 0.000 1.012 333 I CA -0.358 60.941 61.300 -0.002 0.000 1.195 333 I CB 1.035 39.030 38.000 -0.008 0.000 1.350 333 I HN 0.610 nan 8.210 nan 0.000 0.464 334 D N 5.066 125.462 120.400 -0.006 0.000 3.241 334 D HA -0.111 4.529 4.640 -0.000 0.000 0.248 334 D C 0.203 176.493 176.300 -0.016 0.000 1.093 334 D CA 0.867 54.860 54.000 -0.011 0.000 0.940 334 D CB -0.304 40.487 40.800 -0.016 0.000 0.980 334 D HN 0.814 nan 8.370 nan 0.000 0.421 335 G N 0.634 109.428 108.800 -0.010 0.000 2.442 335 G HA2 0.376 4.336 3.960 -0.000 0.000 0.249 335 G HA3 0.376 4.336 3.960 -0.000 0.000 0.249 335 G C 1.421 176.310 174.900 -0.018 0.000 1.263 335 G CA -0.280 44.812 45.100 -0.013 0.000 0.846 335 G HN 0.389 nan 8.290 nan 0.000 0.555 336 V N 2.434 122.333 119.914 -0.026 0.000 2.970 336 V HA 0.017 4.137 4.120 -0.000 0.000 0.260 336 V C 2.115 178.200 176.094 -0.015 0.000 1.100 336 V CA 1.011 63.296 62.300 -0.025 0.000 1.122 336 V CB -1.070 30.731 31.823 -0.036 0.000 0.721 336 V HN 0.795 nan 8.190 nan 0.000 0.483 337 G N 0.913 109.706 108.800 -0.011 0.000 2.353 337 G HA2 0.139 4.099 3.960 -0.000 0.000 0.239 337 G HA3 0.139 4.099 3.960 -0.000 0.000 0.239 337 G C 0.027 174.923 174.900 -0.006 0.000 1.295 337 G CA -0.293 44.803 45.100 -0.006 0.000 0.884 337 G HN 0.258 nan 8.290 nan 0.000 0.537 338 E N 1.374 121.571 120.200 -0.005 0.000 2.436 338 E HA -0.027 4.323 4.350 -0.000 0.000 0.262 338 E C 1.195 177.791 176.600 -0.006 0.000 1.063 338 E CA 0.166 56.563 56.400 -0.005 0.000 0.944 338 E CB 0.890 30.587 29.700 -0.004 0.000 0.950 338 E HN 0.691 nan 8.360 nan 0.000 0.444 339 E N 0.807 121.004 120.200 -0.005 0.000 2.435 339 E HA -0.051 4.299 4.350 -0.000 0.000 0.195 339 E C 1.437 178.033 176.600 -0.006 0.000 1.029 339 E CA 0.521 56.918 56.400 -0.006 0.000 0.865 339 E CB 0.221 29.918 29.700 -0.005 0.000 0.833 339 E HN 0.505 nan 8.360 nan 0.000 0.510 340 A N 1.504 124.321 122.820 -0.005 0.000 1.855 340 A HA 0.022 4.342 4.320 -0.000 0.000 0.213 340 A C 2.384 179.964 177.584 -0.006 0.000 1.195 340 A CA 1.316 53.349 52.037 -0.005 0.000 0.610 340 A CB -0.503 18.495 19.000 -0.004 0.000 0.837 340 A HN 0.272 nan 8.150 nan 0.000 0.444 341 A N -0.154 122.663 122.820 -0.006 0.000 1.969 341 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 341 A C 2.090 179.669 177.584 -0.008 0.000 1.169 341 A CA 1.442 53.475 52.037 -0.007 0.000 0.635 341 A CB -0.590 18.406 19.000 -0.006 0.000 0.810 341 A HN 0.507 nan 8.150 nan 0.000 0.445 342 I N -1.311 119.254 120.570 -0.008 0.000 2.193 342 I HA -0.210 3.960 4.170 -0.000 0.000 0.240 342 I C 2.672 178.783 176.117 -0.009 0.000 1.084 342 I CA 1.568 62.863 61.300 -0.009 0.000 1.365 342 I CB -0.362 37.633 38.000 -0.007 0.000 1.064 342 I HN 0.287 nan 8.210 nan 0.000 0.410 343 Q N 1.304 121.099 119.800 -0.008 0.000 2.224 343 Q HA -0.085 4.255 4.340 -0.000 0.000 0.203 343 Q C 2.002 177.996 176.000 -0.009 0.000 0.970 343 Q CA 1.642 57.440 55.803 -0.009 0.000 0.865 343 Q CB -0.500 28.234 28.738 -0.007 0.000 0.922 343 Q HN 0.497 nan 8.270 nan 0.000 0.445 344 G N -0.589 108.206 108.800 -0.009 0.000 2.448 344 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.218 344 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.218 344 G C 1.556 176.448 174.900 -0.012 0.000 1.135 344 G CA 0.574 45.668 45.100 -0.010 0.000 0.784 344 G HN 0.242 nan 8.290 nan 0.000 0.543 345 R N -0.000 120.492 120.500 -0.013 0.000 2.173 345 R HA 0.182 4.522 4.340 -0.000 0.000 0.208 345 R C 2.356 178.645 176.300 -0.018 0.000 1.035 345 R CA 0.682 56.772 56.100 -0.017 0.000 1.004 345 R CB -0.552 29.738 30.300 -0.018 0.000 0.917 345 R HN 0.158 nan 8.270 nan 0.000 0.462 346 V N 0.632 120.537 119.914 -0.016 0.000 2.453 346 V HA -0.103 4.017 4.120 -0.000 0.000 0.247 346 V C 2.206 178.290 176.094 -0.015 0.000 1.048 346 V CA 1.786 64.076 62.300 -0.016 0.000 1.049 346 V CB -0.546 31.269 31.823 -0.013 0.000 0.672 346 V HN 0.482 nan 8.190 nan 0.000 0.457 347 A N -0.862 121.950 122.820 -0.013 0.000 1.898 347 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 347 A C 2.161 179.737 177.584 -0.014 0.000 1.181 347 A CA 1.559 53.589 52.037 -0.013 0.000 0.620 347 A CB -0.409 18.585 19.000 -0.011 0.000 0.819 347 A HN 0.592 nan 8.150 nan 0.000 0.442 348 Q N -0.306 119.485 119.800 -0.015 0.000 2.045 348 Q HA -0.197 4.143 4.340 -0.000 0.000 0.206 348 Q C 2.072 178.060 176.000 -0.019 0.000 0.991 348 Q CA 1.921 57.714 55.803 -0.017 0.000 0.851 348 Q CB -0.457 28.270 28.738 -0.018 0.000 0.911 348 Q HN 0.776 nan 8.270 nan 0.000 0.418 349 I N -0.020 120.537 120.570 -0.022 0.000 2.394 349 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 349 I C 2.565 178.668 176.117 -0.024 0.000 1.136 349 I CA 0.938 62.222 61.300 -0.027 0.000 1.425 349 I CB -0.291 37.690 38.000 -0.031 0.000 1.079 349 I HN 0.111 nan 8.210 nan 0.000 0.425 350 R N 0.786 121.274 120.500 -0.020 0.000 2.115 350 R HA -0.165 4.175 4.340 -0.000 0.000 0.230 350 R C 2.370 178.660 176.300 -0.016 0.000 1.111 350 R CA 1.197 57.286 56.100 -0.018 0.000 0.976 350 R CB -0.082 30.209 30.300 -0.015 0.000 0.870 350 R HN 0.390 nan 8.270 nan 0.000 0.445 351 Q N -0.063 119.729 119.800 -0.015 0.000 2.187 351 Q HA -0.115 4.225 4.340 -0.000 0.000 0.199 351 Q C 1.574 177.566 176.000 -0.014 0.000 0.957 351 Q CA 0.986 56.782 55.803 -0.013 0.000 0.857 351 Q CB 0.300 29.031 28.738 -0.011 0.000 0.929 351 Q HN 0.460 nan 8.270 nan 0.000 0.453 352 Q N -0.077 119.713 119.800 -0.017 0.000 2.500 352 Q HA -0.059 4.281 4.340 -0.000 0.000 0.213 352 Q C 1.683 177.671 176.000 -0.020 0.000 0.974 352 Q CA 0.505 56.297 55.803 -0.019 0.000 0.918 352 Q CB 0.198 28.922 28.738 -0.024 0.000 0.980 352 Q HN 0.473 nan 8.270 nan 0.000 0.505 353 I N 0.348 120.906 120.570 -0.020 0.000 2.584 353 I HA -0.170 4.000 4.170 -0.000 0.000 0.255 353 I C 1.844 177.953 176.117 -0.013 0.000 1.145 353 I CA 0.555 61.843 61.300 -0.020 0.000 1.462 353 I CB 0.008 37.995 38.000 -0.021 0.000 1.102 353 I HN 0.104 nan 8.210 nan 0.000 0.433 354 E N 1.224 121.418 120.200 -0.011 0.000 2.106 354 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 354 E C 1.449 178.045 176.600 -0.006 0.000 0.984 354 E CA 1.057 57.453 56.400 -0.008 0.000 0.806 354 E CB -0.265 29.430 29.700 -0.007 0.000 0.750 354 E HN 0.574 nan 8.360 nan 0.000 0.458 355 E N 0.696 120.891 120.200 -0.007 0.000 2.494 355 E HA 0.171 4.521 4.350 -0.000 0.000 0.193 355 E C 0.031 176.629 176.600 -0.003 0.000 1.074 355 E CA -0.154 56.243 56.400 -0.005 0.000 0.867 355 E CB 0.369 30.065 29.700 -0.007 0.000 0.924 355 E HN 0.060 nan 8.360 nan 0.000 0.502 356 A N 1.376 124.193 122.820 -0.004 0.000 2.347 356 A HA 0.128 4.448 4.320 -0.000 0.000 0.287 356 A C 1.205 178.794 177.584 0.008 0.000 1.199 356 A CA -0.371 51.667 52.037 0.000 0.000 0.851 356 A CB 0.029 19.026 19.000 -0.005 0.000 1.118 356 A HN 0.199 nan 8.150 nan 0.000 0.525 357 T N -0.433 114.129 114.554 0.013 0.000 3.129 357 T HA 0.246 4.596 4.350 -0.000 0.000 0.251 357 T C 0.671 175.386 174.700 0.025 0.000 1.117 357 T CA 0.641 62.750 62.100 0.016 0.000 1.034 357 T CB -0.087 68.789 68.868 0.014 0.000 0.968 357 T HN 0.477 nan 8.240 nan 0.000 0.526 358 S N -0.281 115.441 115.700 0.035 0.000 2.548 358 S HA 0.368 4.838 4.470 -0.000 0.000 0.286 358 S C -0.005 174.632 174.600 0.061 0.000 1.098 358 S CA -0.700 57.533 58.200 0.056 0.000 0.930 358 S CB 1.700 64.951 63.200 0.085 0.000 1.070 358 S HN 0.116 nan 8.310 nan 0.000 0.480 359 D N 1.177 121.621 120.400 0.073 0.000 2.224 359 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 359 D C 1.141 177.495 176.300 0.090 0.000 0.965 359 D CA 1.144 55.184 54.000 0.066 0.000 0.852 359 D CB 0.007 40.845 40.800 0.062 0.000 0.947 359 D HN 0.669 nan 8.370 nan 0.000 0.494 360 Y N 1.765 122.066 120.300 0.001 0.000 2.243 360 Y HA -0.118 4.432 4.550 -0.000 0.000 0.293 360 Y C 1.591 177.487 175.900 -0.006 0.000 1.124 360 Y CA 1.357 59.459 58.100 0.002 0.000 1.159 360 Y CB 0.034 38.497 38.460 0.006 0.000 1.008 360 Y HN -0.227 nan 8.280 nan 0.000 0.527 361 D N 0.047 120.475 120.400 0.046 0.000 2.104 361 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 361 D C 2.208 178.445 176.300 -0.106 0.000 0.994 361 D CA 1.545 55.514 54.000 -0.052 0.000 0.830 361 D CB -0.318 40.500 40.800 0.030 0.000 0.959 361 D HN 0.256 nan 8.370 nan 0.000 0.452 362 R N 0.612 121.078 120.500 -0.056 0.000 2.083 362 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 362 R C 1.951 178.202 176.300 -0.082 0.000 1.137 362 R CA 1.547 57.616 56.100 -0.053 0.000 0.951 362 R CB -0.035 30.252 30.300 -0.021 0.000 0.851 362 R HN 0.256 nan 8.270 nan 0.000 0.434 363 E N -0.224 119.912 120.200 -0.106 0.000 2.110 363 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 363 E C 1.955 178.461 176.600 -0.157 0.000 0.988 363 E CA 0.869 57.200 56.400 -0.114 0.000 0.804 363 E CB 0.140 29.777 29.700 -0.105 0.000 0.745 363 E HN 0.141 nan 8.360 nan 0.000 0.458 364 K N 0.513 120.763 120.400 -0.251 0.000 2.148 364 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 364 K C 2.105 178.618 176.600 -0.146 0.000 1.050 364 K CA 0.782 56.922 56.287 -0.246 0.000 0.942 364 K CB -0.144 32.133 32.500 -0.373 0.000 0.724 364 K HN 0.215 nan 8.250 nan 0.000 0.446 365 L N 0.534 121.685 121.223 -0.120 0.000 2.179 365 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 365 L C 2.327 179.161 176.870 -0.060 0.000 1.096 365 L CA 0.866 55.658 54.840 -0.080 0.000 0.779 365 L CB -0.326 41.694 42.059 -0.066 0.000 0.922 365 L HN 0.134 nan 8.230 nan 0.000 0.443 366 Q N -0.014 119.751 119.800 -0.059 0.000 2.230 366 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 366 Q C 1.970 177.947 176.000 -0.038 0.000 0.963 366 Q CA 1.014 56.792 55.803 -0.042 0.000 0.866 366 Q CB 0.035 28.750 28.738 -0.038 0.000 0.931 366 Q HN 0.503 nan 8.270 nan 0.000 0.452 367 E N 0.480 120.651 120.200 -0.049 0.000 2.106 367 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 367 E C 1.969 178.552 176.600 -0.029 0.000 0.984 367 E CA 0.672 57.049 56.400 -0.038 0.000 0.806 367 E CB 0.094 29.764 29.700 -0.050 0.000 0.750 367 E HN 0.252 nan 8.360 nan 0.000 0.458 368 R N 0.319 120.796 120.500 -0.038 0.000 2.119 368 R HA -0.072 4.268 4.340 -0.000 0.000 0.222 368 R C 2.523 178.808 176.300 -0.024 0.000 1.088 368 R CA 1.279 57.359 56.100 -0.033 0.000 0.984 368 R CB -0.100 30.173 30.300 -0.046 0.000 0.884 368 R HN 0.171 nan 8.270 nan 0.000 0.447 369 V N -2.330 117.569 119.914 -0.025 0.000 2.788 369 V HA 0.107 4.227 4.120 -0.000 0.000 0.251 369 V C 2.221 178.307 176.094 -0.014 0.000 1.068 369 V CA 1.349 63.637 62.300 -0.020 0.000 1.090 369 V CB -0.532 31.278 31.823 -0.022 0.000 0.710 369 V HN 0.146 nan 8.190 nan 0.000 0.467 370 A N 0.645 123.457 122.820 -0.013 0.000 1.969 370 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 370 A C 2.340 179.922 177.584 -0.003 0.000 1.169 370 A CA 1.800 53.831 52.037 -0.009 0.000 0.635 370 A CB -0.403 18.591 19.000 -0.010 0.000 0.810 370 A HN 0.569 nan 8.150 nan 0.000 0.445 371 K N -0.914 119.486 120.400 -0.000 0.000 2.031 371 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 371 K C 1.761 178.367 176.600 0.010 0.000 1.049 371 K CA 1.120 57.414 56.287 0.011 0.000 0.939 371 K CB -0.290 32.224 32.500 0.022 0.000 0.717 371 K HN 0.302 nan 8.250 nan 0.000 0.438 372 L N 0.698 121.922 121.223 0.001 0.000 1.993 372 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 372 L C 2.378 179.247 176.870 -0.002 0.000 1.074 372 L CA 1.792 56.631 54.840 -0.001 0.000 0.746 372 L CB -0.770 41.283 42.059 -0.009 0.000 0.896 372 L HN 0.119 nan 8.230 nan 0.000 0.435 373 A N -0.726 122.090 122.820 -0.006 0.000 2.015 373 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 373 A C 2.310 179.891 177.584 -0.005 0.000 1.163 373 A CA 1.470 53.503 52.037 -0.006 0.000 0.646 373 A CB -1.234 17.761 19.000 -0.008 0.000 0.806 373 A HN 0.464 nan 8.150 nan 0.000 0.448 374 G N -1.065 107.733 108.800 -0.004 0.000 2.430 374 G HA2 0.352 4.312 3.960 -0.000 0.000 0.216 374 G HA3 0.352 4.312 3.960 -0.000 0.000 0.216 374 G C 1.214 176.112 174.900 -0.002 0.000 1.146 374 G CA 0.721 45.819 45.100 -0.003 0.000 0.793 374 G HN 1.586 nan 8.290 nan 0.000 0.537 375 G N -1.377 107.424 108.800 0.001 0.000 2.601 375 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.261 375 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.261 375 G C -0.518 174.382 174.900 0.000 0.000 1.289 375 G CA -0.046 45.055 45.100 0.001 0.000 0.920 375 G HN 1.051 nan 8.290 nan 0.000 0.571 376 V N 0.483 120.396 119.914 -0.002 0.000 2.569 376 V HA 0.689 4.809 4.120 -0.000 0.000 0.301 376 V C 0.658 176.748 176.094 -0.008 0.000 1.044 376 V CA -0.023 62.274 62.300 -0.005 0.000 0.874 376 V CB 1.335 33.155 31.823 -0.004 0.000 1.002 376 V HN 2.002 nan 8.190 nan 0.000 0.424 377 A N 5.061 127.875 122.820 -0.010 0.000 2.354 377 A HA 0.689 5.009 4.320 -0.000 0.000 0.281 377 A C -0.362 177.216 177.584 -0.011 0.000 1.174 377 A CA -0.252 51.779 52.037 -0.010 0.000 0.828 377 A CB 0.535 19.529 19.000 -0.011 0.000 1.099 377 A HN 0.724 nan 8.150 nan 0.000 0.516 378 V N 5.155 125.063 119.914 -0.009 0.000 2.370 378 V HA 0.267 4.387 4.120 -0.000 0.000 0.279 378 V C 0.060 176.150 176.094 -0.007 0.000 1.029 378 V CA -0.152 62.143 62.300 -0.008 0.000 0.870 378 V CB 0.932 32.750 31.823 -0.008 0.000 0.984 378 V HN 0.716 nan 8.190 nan 0.000 0.451 379 I N 5.205 125.772 120.570 -0.006 0.000 2.331 379 I HA 0.410 4.580 4.170 -0.000 0.000 0.292 379 I C 0.181 176.295 176.117 -0.004 0.000 0.998 379 I CA -0.411 60.886 61.300 -0.005 0.000 1.267 379 I CB 1.035 39.032 38.000 -0.004 0.000 1.386 379 I HN 0.498 nan 8.210 nan 0.000 0.476 380 K N 6.022 126.420 120.400 -0.004 0.000 2.464 380 K HA 0.415 4.735 4.320 -0.000 0.000 0.252 380 K C -0.956 175.643 176.600 -0.002 0.000 1.000 380 K CA -0.599 55.686 56.287 -0.003 0.000 0.951 380 K CB 1.934 34.431 32.500 -0.004 0.000 1.183 380 K HN 0.340 nan 8.250 nan 0.000 0.445 381 V N 2.205 122.118 119.914 -0.002 0.000 2.521 381 V HA 0.208 4.328 4.120 -0.000 0.000 0.286 381 V C 0.827 176.920 176.094 -0.002 0.000 1.034 381 V CA -0.387 61.913 62.300 -0.001 0.000 1.045 381 V CB 0.967 32.790 31.823 -0.000 0.000 0.974 381 V HN 0.847 nan 8.190 nan 0.000 0.480 382 G N 2.812 111.610 108.800 -0.002 0.000 2.416 382 G HA2 0.622 4.582 3.960 -0.000 0.000 0.324 382 G HA3 0.622 4.582 3.960 -0.000 0.000 0.324 382 G C 0.176 175.075 174.900 -0.002 0.000 1.194 382 G CA 0.168 45.267 45.100 -0.002 0.000 0.922 382 G HN 1.043 nan 8.290 nan 0.000 0.467 383 A N 1.267 124.085 122.820 -0.002 0.000 2.664 383 A HA 0.805 5.125 4.320 -0.000 0.000 0.222 383 A C 0.894 178.477 177.584 -0.002 0.000 1.320 383 A CA 1.084 53.120 52.037 -0.002 0.000 1.029 383 A CB -0.316 18.682 19.000 -0.002 0.000 1.318 383 A HN 2.735 nan 8.150 nan 0.000 0.589 384 A N -0.174 122.645 122.820 -0.002 0.000 2.435 384 A HA 0.474 4.794 4.320 -0.000 0.000 0.686 384 A C 0.932 178.515 177.584 -0.002 0.000 0.138 384 A CA 0.668 52.703 52.037 -0.002 0.000 0.025 384 A CB -2.493 16.506 19.000 -0.002 0.000 3.974 384 A HN 3.132 nan 8.150 nan 0.000 0.548 385 T N -0.580 113.973 114.554 -0.002 0.000 0.541 385 T HA -0.167 4.183 4.350 -0.000 0.000 0.774 385 T C 0.430 175.128 174.700 -0.002 0.000 0.992 385 T CA 1.741 63.839 62.100 -0.002 0.000 4.077 385 T CB -0.734 68.132 68.868 -0.002 0.000 2.303 385 T HN 2.042 nan 8.240 nan 0.000 0.398 386 E N 0.638 120.836 120.200 -0.002 0.000 2.268 386 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 386 E C 2.017 178.615 176.600 -0.002 0.000 0.995 386 E CA 1.334 57.733 56.400 -0.002 0.000 0.836 386 E CB -0.055 29.643 29.700 -0.002 0.000 0.763 386 E HN 0.623 nan 8.360 nan 0.000 0.491 387 V N 0.871 120.784 119.914 -0.002 0.000 2.407 387 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 387 V C 1.696 177.789 176.094 -0.003 0.000 1.041 387 V CA 1.734 64.032 62.300 -0.003 0.000 1.040 387 V CB -0.298 31.524 31.823 -0.003 0.000 0.671 387 V HN 0.221 nan 8.190 nan 0.000 0.455 388 E N -0.419 119.780 120.200 -0.003 0.000 2.435 388 E HA -0.030 4.320 4.350 -0.000 0.000 0.195 388 E C 2.021 178.620 176.600 -0.002 0.000 1.029 388 E CA 0.340 56.739 56.400 -0.003 0.000 0.865 388 E CB -0.036 29.663 29.700 -0.003 0.000 0.833 388 E HN 0.409 nan 8.360 nan 0.000 0.510 389 M N 1.014 120.612 119.600 -0.002 0.000 2.216 389 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 389 M C 1.585 177.885 176.300 -0.001 0.000 1.080 389 M CA 1.492 56.791 55.300 -0.002 0.000 1.153 389 M CB 0.047 32.646 32.600 -0.002 0.000 1.356 389 M HN -0.153 nan 8.290 nan 0.000 0.432 390 K N 0.263 120.662 120.400 -0.001 0.000 2.155 390 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 390 K C 1.882 178.481 176.600 -0.001 0.000 1.052 390 K CA 0.726 57.013 56.287 -0.001 0.000 0.948 390 K CB -0.390 32.109 32.500 -0.001 0.000 0.728 390 K HN 0.446 nan 8.250 nan 0.000 0.448 391 E N 1.683 121.882 120.200 -0.002 0.000 2.077 391 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 391 E C 1.858 178.457 176.600 -0.002 0.000 0.989 391 E CA 1.318 57.717 56.400 -0.002 0.000 0.800 391 E CB 0.170 29.868 29.700 -0.003 0.000 0.746 391 E HN 0.158 nan 8.360 nan 0.000 0.452 392 K N 0.646 121.046 120.400 -0.001 0.000 2.103 392 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 392 K C 2.346 178.947 176.600 0.001 0.000 1.052 392 K CA 1.088 57.375 56.287 -0.000 0.000 0.945 392 K CB -0.026 32.473 32.500 -0.001 0.000 0.722 392 K HN -0.057 nan 8.250 nan 0.000 0.443 393 K N 0.483 120.884 120.400 0.002 0.000 2.026 393 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 393 K C 1.961 178.564 176.600 0.006 0.000 1.048 393 K CA 1.404 57.693 56.287 0.004 0.000 0.929 393 K CB -0.206 32.296 32.500 0.003 0.000 0.713 393 K HN 0.125 nan 8.250 nan 0.000 0.439 394 A N 1.814 124.636 122.820 0.004 0.000 1.908 394 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 394 A C 2.153 179.740 177.584 0.006 0.000 1.181 394 A CA 1.465 53.504 52.037 0.004 0.000 0.627 394 A CB -0.547 18.452 19.000 -0.001 0.000 0.818 394 A HN 0.373 nan 8.150 nan 0.000 0.445 395 R N -0.761 119.742 120.500 0.003 0.000 2.152 395 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 395 R C 1.954 178.260 176.300 0.009 0.000 1.117 395 R CA 1.390 57.493 56.100 0.004 0.000 0.981 395 R CB -0.408 29.893 30.300 0.001 0.000 0.870 395 R HN 0.449 nan 8.270 nan 0.000 0.451 396 V N 0.802 120.722 119.914 0.011 0.000 2.346 396 V HA -0.171 3.949 4.120 -0.000 0.000 0.244 396 V C 1.915 178.024 176.094 0.026 0.000 1.037 396 V CA 1.580 63.888 62.300 0.014 0.000 1.029 396 V CB -0.316 31.513 31.823 0.009 0.000 0.663 396 V HN 0.316 nan 8.190 nan 0.000 0.454 397 E N 0.067 120.286 120.200 0.031 0.000 2.118 397 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 397 E C 1.870 178.523 176.600 0.089 0.000 0.992 397 E CA 1.598 58.032 56.400 0.056 0.000 0.804 397 E CB -0.125 29.602 29.700 0.047 0.000 0.741 397 E HN 0.615 nan 8.360 nan 0.000 0.458 398 D N 0.165 120.597 120.400 0.053 0.000 2.110 398 D HA -0.039 4.601 4.640 -0.000 0.000 0.202 398 D C 1.976 178.316 176.300 0.066 0.000 0.975 398 D CA 1.137 55.165 54.000 0.047 0.000 0.839 398 D CB -0.285 40.519 40.800 0.007 0.000 0.996 398 D HN 0.116 nan 8.370 nan 0.000 0.464 399 A N 0.986 123.830 122.820 0.040 0.000 1.940 399 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 399 A C 2.171 179.779 177.584 0.040 0.000 1.176 399 A CA 1.035 53.091 52.037 0.032 0.000 0.631 399 A CB -0.662 18.349 19.000 0.018 0.000 0.814 399 A HN 0.199 nan 8.150 nan 0.000 0.446 400 L N -1.143 120.107 121.223 0.045 0.000 2.005 400 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 400 L C 2.435 179.324 176.870 0.031 0.000 1.072 400 L CA 2.345 57.201 54.840 0.026 0.000 0.744 400 L CB -0.778 41.291 42.059 0.017 0.000 0.895 400 L HN 0.554 nan 8.230 nan 0.000 0.433 401 H N -0.471 118.595 119.070 -0.007 0.000 2.353 401 H HA -0.156 4.400 4.556 -0.000 0.000 0.298 401 H C 2.008 177.333 175.328 -0.005 0.000 1.103 401 H CA 1.728 57.772 56.048 -0.007 0.000 1.293 401 H CB 0.034 29.791 29.762 -0.008 0.000 1.372 401 H HN 0.492 nan 8.280 nan 0.000 0.501 402 A N -0.268 122.641 122.820 0.149 0.000 1.877 402 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 402 A C 2.555 180.169 177.584 0.049 0.000 1.186 402 A CA 2.178 54.266 52.037 0.085 0.000 0.620 402 A CB -0.861 18.171 19.000 0.052 0.000 0.822 402 A HN 0.465 nan 8.150 nan 0.000 0.443 403 T N -0.733 113.840 114.554 0.032 0.000 3.085 403 T HA -0.004 4.346 4.350 -0.000 0.000 0.263 403 T C 1.967 176.669 174.700 0.003 0.000 1.127 403 T CA 0.525 62.634 62.100 0.014 0.000 1.103 403 T CB -0.136 68.737 68.868 0.008 0.000 0.921 403 T HN 0.248 nan 8.240 nan 0.000 0.510 404 R N 2.100 122.596 120.500 -0.006 0.000 2.070 404 R HA 0.099 4.439 4.340 -0.000 0.000 0.233 404 R C 2.495 178.789 176.300 -0.009 0.000 1.137 404 R CA 1.790 57.872 56.100 -0.031 0.000 0.945 404 R CB -1.023 29.222 30.300 -0.091 0.000 0.845 404 R HN 0.418 nan 8.270 nan 0.000 0.430 405 A N -0.070 122.758 122.820 0.014 0.000 2.119 405 A HA 0.098 4.418 4.320 -0.000 0.000 0.217 405 A C 2.110 179.707 177.584 0.021 0.000 1.153 405 A CA 1.304 53.356 52.037 0.025 0.000 0.692 405 A CB -0.295 18.735 19.000 0.048 0.000 0.799 405 A HN 0.387 nan 8.150 nan 0.000 0.458 406 A N -0.681 122.150 122.820 0.018 0.000 2.067 406 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 406 A C 1.880 179.470 177.584 0.010 0.000 1.156 406 A CA 1.410 53.456 52.037 0.015 0.000 0.683 406 A CB -0.305 18.703 19.000 0.014 0.000 0.808 406 A HN 0.341 nan 8.150 nan 0.000 0.455 407 V N -0.410 119.508 119.914 0.006 0.000 3.052 407 V HA -0.072 4.048 4.120 -0.000 0.000 0.254 407 V C 2.080 178.176 176.094 0.004 0.000 1.100 407 V CA 1.400 63.702 62.300 0.003 0.000 1.112 407 V CB -0.350 31.471 31.823 -0.003 0.000 0.738 407 V HN 0.569 nan 8.190 nan 0.000 0.469 408 E N 0.337 120.540 120.200 0.006 0.000 2.060 408 E HA -0.065 4.285 4.350 -0.000 0.000 0.189 408 E C 1.551 178.157 176.600 0.011 0.000 0.974 408 E CA 1.025 57.429 56.400 0.008 0.000 0.808 408 E CB 0.166 29.872 29.700 0.009 0.000 0.768 408 E HN 0.629 nan 8.360 nan 0.000 0.453 409 E N -0.620 119.588 120.200 0.014 0.000 2.641 409 E HA 0.208 4.558 4.350 -0.000 0.000 0.224 409 E C 0.414 177.023 176.600 0.015 0.000 0.951 409 E CA 0.165 56.574 56.400 0.015 0.000 1.102 409 E CB 1.715 31.426 29.700 0.019 0.000 1.091 409 E HN 0.221 nan 8.360 nan 0.000 0.507 410 G N 1.361 110.169 108.800 0.014 0.000 2.568 410 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.222 410 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.222 410 G C -0.366 174.542 174.900 0.015 0.000 1.321 410 G CA -0.421 44.687 45.100 0.013 0.000 0.893 410 G HN 0.452 nan 8.290 nan 0.000 0.569 411 V N -2.601 117.321 119.914 0.014 0.000 2.925 411 V HA 0.945 5.065 4.120 -0.000 0.000 0.311 411 V C 0.544 176.647 176.094 0.015 0.000 1.104 411 V CA 0.001 62.310 62.300 0.014 0.000 0.954 411 V CB 1.015 32.845 31.823 0.012 0.000 1.022 411 V HN 2.407 nan 8.190 nan 0.000 0.427 412 V N -0.171 119.752 119.914 0.016 0.000 3.155 412 V HA 1.040 5.160 4.120 -0.000 0.000 0.313 412 V C 0.475 176.577 176.094 0.014 0.000 1.162 412 V CA -0.618 61.693 62.300 0.017 0.000 1.048 412 V CB 1.583 33.418 31.823 0.020 0.000 1.092 412 V HN 1.968 nan 8.190 nan 0.000 0.447 413 A N 0.876 123.705 122.820 0.015 0.000 2.488 413 A HA 0.684 5.004 4.320 -0.000 0.000 0.249 413 A C 0.804 178.390 177.584 0.004 0.000 1.083 413 A CA 0.515 52.556 52.037 0.007 0.000 0.768 413 A CB -0.419 18.586 19.000 0.009 0.000 1.017 413 A HN 1.920 nan 8.150 nan 0.000 0.496 414 G N 0.470 109.266 108.800 -0.006 0.000 2.508 414 G HA2 0.514 4.474 3.960 -0.000 0.000 0.278 414 G HA3 0.514 4.474 3.960 -0.000 0.000 0.278 414 G C 1.146 176.040 174.900 -0.010 0.000 1.389 414 G CA -0.044 45.051 45.100 -0.007 0.000 1.050 414 G HN 2.231 nan 8.290 nan 0.000 0.522 415 G N -2.209 106.585 108.800 -0.010 0.000 2.155 415 G HA2 0.188 4.148 3.960 -0.000 0.000 0.257 415 G HA3 0.188 4.148 3.960 -0.000 0.000 0.257 415 G C 1.493 176.400 174.900 0.013 0.000 0.983 415 G CA 1.090 46.188 45.100 -0.003 0.000 0.676 415 G HN 2.491 nan 8.290 nan 0.000 0.528 416 G N -1.674 107.133 108.800 0.012 0.000 2.258 416 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.274 416 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.274 416 G C 1.619 176.533 174.900 0.023 0.000 1.021 416 G CA 1.904 47.015 45.100 0.018 0.000 0.798 416 G HN 2.245 nan 8.290 nan 0.000 0.507 417 V N -3.552 116.376 119.914 0.023 0.000 3.129 417 V HA 0.434 4.554 4.120 -0.000 0.000 0.259 417 V C 2.662 178.778 176.094 0.036 0.000 1.116 417 V CA 1.599 63.918 62.300 0.031 0.000 1.127 417 V CB -0.450 31.387 31.823 0.024 0.000 0.742 417 V HN 1.142 nan 8.190 nan 0.000 0.474 418 A N 1.228 124.066 122.820 0.029 0.000 1.877 418 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 418 A C 2.202 179.804 177.584 0.031 0.000 1.186 418 A CA 2.162 54.217 52.037 0.030 0.000 0.620 418 A CB -0.660 18.355 19.000 0.025 0.000 0.822 418 A HN 0.555 nan 8.150 nan 0.000 0.443 419 L N -0.865 120.375 121.223 0.028 0.000 2.012 419 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 419 L C 2.534 179.422 176.870 0.029 0.000 1.073 419 L CA 1.602 56.458 54.840 0.027 0.000 0.748 419 L CB -0.412 41.661 42.059 0.024 0.000 0.891 419 L HN 0.467 nan 8.230 nan 0.000 0.431 420 I N -0.442 120.148 120.570 0.033 0.000 2.493 420 I HA -0.282 3.888 4.170 -0.000 0.000 0.254 420 I C 2.705 178.849 176.117 0.045 0.000 1.160 420 I CA 0.901 62.224 61.300 0.038 0.000 1.445 420 I CB 0.042 38.067 38.000 0.043 0.000 1.086 420 I HN 0.192 nan 8.210 nan 0.000 0.433 421 R N 0.022 120.551 120.500 0.049 0.000 2.119 421 R HA -0.030 4.310 4.340 -0.000 0.000 0.222 421 R C 1.874 178.199 176.300 0.041 0.000 1.088 421 R CA 1.373 57.506 56.100 0.055 0.000 0.984 421 R CB -0.579 29.759 30.300 0.064 0.000 0.884 421 R HN 0.212 nan 8.270 nan 0.000 0.447 422 V N 0.638 120.572 119.914 0.034 0.000 2.323 422 V HA -0.103 4.017 4.120 -0.000 0.000 0.244 422 V C 2.272 178.380 176.094 0.023 0.000 1.041 422 V CA 1.781 64.097 62.300 0.026 0.000 1.025 422 V CB -0.772 31.065 31.823 0.022 0.000 0.656 422 V HN 0.485 nan 8.190 nan 0.000 0.451 423 A N 0.808 123.642 122.820 0.024 0.000 1.940 423 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 423 A C 2.538 180.135 177.584 0.021 0.000 1.176 423 A CA 2.506 54.556 52.037 0.020 0.000 0.631 423 A CB -0.800 18.213 19.000 0.021 0.000 0.814 423 A HN 0.702 nan 8.150 nan 0.000 0.446 424 S N -0.358 115.358 115.700 0.026 0.000 2.423 424 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 424 S C 1.528 176.140 174.600 0.021 0.000 1.014 424 S CA 1.318 59.533 58.200 0.026 0.000 0.965 424 S CB -0.321 62.899 63.200 0.034 0.000 0.785 424 S HN 0.593 nan 8.310 nan 0.000 0.495 425 K N 0.649 121.062 120.400 0.021 0.000 2.505 425 K HA 0.303 4.623 4.320 -0.000 0.000 0.192 425 K C 0.294 176.902 176.600 0.013 0.000 1.025 425 K CA 0.218 56.516 56.287 0.017 0.000 1.086 425 K CB -0.110 32.402 32.500 0.019 0.000 0.840 425 K HN 0.439 nan 8.250 nan 0.000 0.514 426 L N -0.727 120.504 121.223 0.012 0.000 3.267 426 L HA 0.266 4.606 4.340 -0.000 0.000 0.289 426 L C 1.409 178.284 176.870 0.008 0.000 1.260 426 L CA -0.197 54.648 54.840 0.010 0.000 1.034 426 L CB 0.651 42.716 42.059 0.010 0.000 1.413 426 L HN -0.004 nan 8.230 nan 0.000 0.594 427 A N -0.320 122.505 122.820 0.009 0.000 2.015 427 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 427 A C 1.594 179.181 177.584 0.006 0.000 1.163 427 A CA 1.435 53.477 52.037 0.008 0.000 0.646 427 A CB -0.126 18.879 19.000 0.008 0.000 0.806 427 A HN 0.320 nan 8.150 nan 0.000 0.448 428 D N -0.937 119.466 120.400 0.005 0.000 2.339 428 D HA 0.107 4.747 4.640 -0.000 0.000 0.217 428 D C 0.106 176.408 176.300 0.004 0.000 1.050 428 D CA -0.106 53.897 54.000 0.004 0.000 0.856 428 D CB -0.012 40.790 40.800 0.003 0.000 0.922 428 D HN 0.318 nan 8.370 nan 0.000 0.518 429 L N 2.360 123.586 121.223 0.004 0.000 2.500 429 L HA 0.051 4.391 4.340 -0.000 0.000 0.272 429 L C 0.227 177.099 176.870 0.003 0.000 1.149 429 L CA 0.524 55.367 54.840 0.004 0.000 0.897 429 L CB -0.003 42.059 42.059 0.004 0.000 1.178 429 L HN -0.231 nan 8.230 nan 0.000 0.473 430 R N 3.242 123.744 120.500 0.002 0.000 2.919 430 R HA 0.752 5.092 4.340 -0.000 0.000 0.260 430 R C -0.002 176.299 176.300 0.002 0.000 1.067 430 R CA -0.336 55.765 56.100 0.002 0.000 1.003 430 R CB 1.311 31.613 30.300 0.002 0.000 1.192 430 R HN 0.743 nan 8.270 nan 0.000 0.488 431 G N -0.434 108.367 108.800 0.002 0.000 3.135 431 G HA2 0.200 4.160 3.960 -0.000 0.000 0.159 431 G HA3 0.200 4.160 3.960 -0.000 0.000 0.159 431 G C 0.095 174.995 174.900 0.001 0.000 1.244 431 G CA -0.125 44.976 45.100 0.001 0.000 0.965 431 G HN 0.410 nan 8.290 nan 0.000 0.599 432 Q N -0.594 119.206 119.800 0.001 0.000 2.226 432 Q HA 0.121 4.461 4.340 -0.000 0.000 0.199 432 Q C 0.285 176.286 176.000 0.001 0.000 0.945 432 Q CA 0.857 56.661 55.803 0.001 0.000 0.861 432 Q CB 0.170 28.908 28.738 0.001 0.000 0.953 432 Q HN 0.638 nan 8.270 nan 0.000 0.490 433 N N -1.359 117.341 118.700 0.001 0.000 2.577 433 N HA 0.159 4.899 4.740 -0.000 0.000 0.285 433 N C -0.035 175.476 175.510 0.002 0.000 1.309 433 N CA -0.616 52.435 53.050 0.002 0.000 0.798 433 N CB 0.704 39.193 38.487 0.002 0.000 1.463 433 N HN -0.347 nan 8.380 nan 0.000 0.518 434 K N -0.273 120.128 120.400 0.002 0.000 2.103 434 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 434 K C 0.372 176.974 176.600 0.002 0.000 1.048 434 K CA 1.573 57.862 56.287 0.002 0.000 0.930 434 K CB -0.645 31.856 32.500 0.002 0.000 0.716 434 K HN 0.634 nan 8.250 nan 0.000 0.444 435 D N 0.108 120.510 120.400 0.003 0.000 2.218 435 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 435 D C 1.787 178.089 176.300 0.003 0.000 0.976 435 D CA 0.937 54.939 54.000 0.003 0.000 0.853 435 D CB 0.029 40.831 40.800 0.004 0.000 0.939 435 D HN 0.415 nan 8.370 nan 0.000 0.481 436 Q N -0.071 119.730 119.800 0.003 0.000 2.137 436 Q HA -0.037 4.303 4.340 -0.000 0.000 0.198 436 Q C 1.611 177.612 176.000 0.003 0.000 0.960 436 Q CA 0.668 56.473 55.803 0.003 0.000 0.847 436 Q CB -0.014 28.726 28.738 0.002 0.000 0.915 436 Q HN 0.219 nan 8.270 nan 0.000 0.448 437 N N 0.327 119.029 118.700 0.003 0.000 2.120 437 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 437 N C 1.841 177.353 175.510 0.003 0.000 1.024 437 N CA 1.037 54.089 53.050 0.003 0.000 0.852 437 N CB -0.416 38.073 38.487 0.003 0.000 1.003 437 N HN 0.016 nan 8.380 nan 0.000 0.424 438 V N 0.730 120.646 119.914 0.003 0.000 2.255 438 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 438 V C 2.472 178.569 176.094 0.005 0.000 1.051 438 V CA 2.109 64.411 62.300 0.004 0.000 1.018 438 V CB -1.457 30.368 31.823 0.004 0.000 0.641 438 V HN 0.374 nan 8.190 nan 0.000 0.445 439 G N 0.061 108.864 108.800 0.004 0.000 2.505 439 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 439 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 439 G C 1.569 176.471 174.900 0.005 0.000 1.145 439 G CA 1.428 46.531 45.100 0.005 0.000 0.761 439 G HN 0.512 nan 8.290 nan 0.000 0.571 440 I N 0.149 120.722 120.570 0.004 0.000 2.179 440 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 440 I C 2.774 178.894 176.117 0.005 0.000 1.088 440 I CA 1.053 62.355 61.300 0.004 0.000 1.357 440 I CB -0.144 37.858 38.000 0.004 0.000 1.051 440 I HN -0.004 nan 8.210 nan 0.000 0.409 441 K N 0.635 121.038 120.400 0.005 0.000 2.063 441 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 441 K C 2.127 178.731 176.600 0.007 0.000 1.048 441 K CA 1.133 57.424 56.287 0.006 0.000 0.928 441 K CB -0.709 31.795 32.500 0.005 0.000 0.713 441 K HN 0.217 nan 8.250 nan 0.000 0.442 442 V N 1.498 121.416 119.914 0.007 0.000 2.490 442 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 442 V C 2.423 178.522 176.094 0.009 0.000 1.061 442 V CA 1.874 64.179 62.300 0.007 0.000 1.064 442 V CB -0.760 31.067 31.823 0.007 0.000 0.670 442 V HN 0.282 nan 8.190 nan 0.000 0.461 443 A N -0.121 122.704 122.820 0.008 0.000 1.872 443 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 443 A C 2.175 179.766 177.584 0.010 0.000 1.187 443 A CA 1.299 53.342 52.037 0.009 0.000 0.614 443 A CB -0.441 18.563 19.000 0.007 0.000 0.826 443 A HN 0.473 nan 8.150 nan 0.000 0.442 444 L N -0.892 120.337 121.223 0.010 0.000 2.042 444 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 444 L C 2.762 179.640 176.870 0.013 0.000 1.076 444 L CA 1.551 56.398 54.840 0.011 0.000 0.749 444 L CB -0.495 41.570 42.059 0.010 0.000 0.893 444 L HN 0.343 nan 8.230 nan 0.000 0.432 445 R N -0.397 120.110 120.500 0.011 0.000 2.189 445 R HA -0.010 4.330 4.340 -0.000 0.000 0.218 445 R C 2.304 178.611 176.300 0.012 0.000 1.074 445 R CA 0.863 56.969 56.100 0.011 0.000 0.991 445 R CB -0.177 30.128 30.300 0.009 0.000 0.883 445 R HN 0.347 nan 8.270 nan 0.000 0.457 446 A N 0.772 123.600 122.820 0.012 0.000 1.930 446 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 446 A C 2.002 179.595 177.584 0.015 0.000 1.176 446 A CA 0.678 52.723 52.037 0.013 0.000 0.632 446 A CB -0.185 18.823 19.000 0.014 0.000 0.819 446 A HN 0.143 nan 8.150 nan 0.000 0.445 447 M N -0.136 119.474 119.600 0.016 0.000 2.446 447 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 447 M C 1.536 177.847 176.300 0.020 0.000 1.066 447 M CA 1.181 56.492 55.300 0.019 0.000 1.087 447 M CB -0.394 32.218 32.600 0.019 0.000 1.406 447 M HN 0.478 nan 8.290 nan 0.000 0.459 448 E N 0.770 120.981 120.200 0.018 0.000 2.158 448 E HA -0.064 4.286 4.350 -0.000 0.000 0.191 448 E C 2.232 178.840 176.600 0.015 0.000 0.982 448 E CA 0.831 57.242 56.400 0.017 0.000 0.823 448 E CB -0.161 29.549 29.700 0.015 0.000 0.766 448 E HN 0.523 nan 8.360 nan 0.000 0.468 449 A N 2.443 125.272 122.820 0.014 0.000 1.881 449 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 449 A C -0.311 177.281 177.584 0.013 0.000 1.215 449 A CA 1.772 53.816 52.037 0.012 0.000 0.648 449 A CB -1.709 17.298 19.000 0.012 0.000 0.832 449 A HN 0.140 nan 8.150 nan 0.000 0.455 450 P HA -0.222 nan 4.420 nan 0.000 0.212 450 P C 1.857 179.167 177.300 0.018 0.000 1.174 450 P CA 1.384 64.493 63.100 0.016 0.000 0.934 450 P CB -0.237 31.474 31.700 0.018 0.000 0.791 451 L N -0.838 120.397 121.223 0.020 0.000 1.976 451 L HA -0.321 4.019 4.340 -0.000 0.000 0.223 451 L C 2.596 179.475 176.870 0.016 0.000 1.081 451 L CA 2.132 56.986 54.840 0.024 0.000 0.784 451 L CB -0.559 41.514 42.059 0.024 0.000 0.896 451 L HN -0.179 nan 8.230 nan 0.000 0.438 452 R N -1.013 119.492 120.500 0.007 0.000 2.112 452 R HA -0.298 4.042 4.340 -0.000 0.000 0.242 452 R C 2.352 178.654 176.300 0.004 0.000 1.137 452 R CA 2.133 58.233 56.100 -0.001 0.000 0.944 452 R CB -0.540 29.760 30.300 -0.000 0.000 0.857 452 R HN 0.442 nan 8.270 nan 0.000 0.435 453 Q N 0.821 120.626 119.800 0.009 0.000 2.096 453 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 453 Q C 1.814 177.823 176.000 0.014 0.000 0.982 453 Q CA 1.677 57.486 55.803 0.010 0.000 0.850 453 Q CB -0.131 28.612 28.738 0.009 0.000 0.901 453 Q HN 0.434 nan 8.270 nan 0.000 0.422 454 I N -0.927 119.656 120.570 0.021 0.000 2.439 454 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 454 I C 1.809 177.956 176.117 0.051 0.000 1.139 454 I CA 0.551 61.870 61.300 0.033 0.000 1.438 454 I CB -0.108 37.916 38.000 0.039 0.000 1.085 454 I HN 0.015 nan 8.210 nan 0.000 0.427 455 V N 0.583 120.523 119.914 0.043 0.000 2.667 455 V HA -0.192 3.928 4.120 -0.000 0.000 0.252 455 V C 2.268 178.373 176.094 0.019 0.000 1.065 455 V CA 1.041 63.362 62.300 0.035 0.000 1.083 455 V CB -0.282 31.508 31.823 -0.056 0.000 0.692 455 V HN 0.325 nan 8.190 nan 0.000 0.468 456 L N 0.837 122.067 121.223 0.011 0.000 2.156 456 L HA -0.020 4.320 4.340 -0.000 0.000 0.208 456 L C 2.006 178.885 176.870 0.014 0.000 1.095 456 L CA 1.695 56.540 54.840 0.008 0.000 0.770 456 L CB -0.666 41.396 42.059 0.005 0.000 0.914 456 L HN 0.315 nan 8.230 nan 0.000 0.439 457 N N -1.901 116.810 118.700 0.019 0.000 2.494 457 N HA -0.088 4.652 4.740 -0.000 0.000 0.182 457 N C 1.587 177.110 175.510 0.022 0.000 1.076 457 N CA 1.106 54.166 53.050 0.017 0.000 0.908 457 N CB -0.504 37.992 38.487 0.014 0.000 0.967 457 N HN 0.364 nan 8.380 nan 0.000 0.449 458 C N -1.350 117.972 119.300 0.037 0.000 2.634 458 C HA 0.394 4.854 4.460 -0.000 0.000 0.268 458 C C 1.761 176.774 174.990 0.039 0.000 1.322 458 C CA 0.447 59.492 59.018 0.046 0.000 1.737 458 C CB -0.701 27.092 27.740 0.089 0.000 1.976 458 C HN 0.593 nan 8.230 nan 0.000 0.547 459 G N 0.714 109.532 108.800 0.030 0.000 2.179 459 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.220 459 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.220 459 G C -0.309 174.605 174.900 0.023 0.000 0.990 459 G CA -0.097 45.017 45.100 0.023 0.000 0.646 459 G HN 0.469 nan 8.290 nan 0.000 0.517 460 E N 0.790 121.005 120.200 0.026 0.000 2.250 460 E HA 0.422 4.772 4.350 -0.000 0.000 0.269 460 E C 0.121 176.710 176.600 -0.019 0.000 1.018 460 E CA -0.682 55.724 56.400 0.009 0.000 0.873 460 E CB 0.884 30.591 29.700 0.012 0.000 1.134 460 E HN 0.510 nan 8.360 nan 0.000 0.403 461 E N 2.617 122.801 120.200 -0.027 0.000 2.328 461 E HA 0.016 4.366 4.350 -0.000 0.000 0.265 461 E C -1.551 175.016 176.600 -0.054 0.000 1.057 461 E CA -1.376 55.006 56.400 -0.030 0.000 0.916 461 E CB 0.521 30.209 29.700 -0.020 0.000 0.993 461 E HN 0.173 nan 8.360 nan 0.000 0.446 462 P HA -0.209 nan 4.420 nan 0.000 0.216 462 P C 1.222 178.497 177.300 -0.042 0.000 1.153 462 P CA 1.213 64.284 63.100 -0.047 0.000 0.848 462 P CB 0.202 31.888 31.700 -0.023 0.000 0.787 463 S N -0.918 114.766 115.700 -0.026 0.000 2.402 463 S HA -0.094 4.376 4.470 -0.000 0.000 0.229 463 S C 2.025 176.614 174.600 -0.018 0.000 1.021 463 S CA 1.184 59.374 58.200 -0.017 0.000 0.974 463 S CB -1.777 61.417 63.200 -0.010 0.000 0.800 463 S HN -0.047 nan 8.310 nan 0.000 0.484 464 V N 1.780 121.678 119.914 -0.027 0.000 2.343 464 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 464 V C 2.561 178.643 176.094 -0.019 0.000 1.051 464 V CA 1.561 63.847 62.300 -0.023 0.000 1.036 464 V CB -0.786 31.023 31.823 -0.023 0.000 0.654 464 V HN 0.451 nan 8.190 nan 0.000 0.451 465 V N 0.159 120.038 119.914 -0.058 0.000 2.548 465 V HA -0.114 4.006 4.120 -0.000 0.000 0.249 465 V C 2.615 178.716 176.094 0.013 0.000 1.055 465 V CA 1.563 63.827 62.300 -0.060 0.000 1.065 465 V CB -0.856 30.748 31.823 -0.365 0.000 0.681 465 V HN 0.529 nan 8.190 nan 0.000 0.462 466 A N 0.743 123.558 122.820 -0.007 0.000 1.898 466 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 466 A C 2.088 179.698 177.584 0.043 0.000 1.181 466 A CA 2.127 54.176 52.037 0.020 0.000 0.620 466 A CB -0.696 18.308 19.000 0.006 0.000 0.819 466 A HN 0.586 nan 8.150 nan 0.000 0.442 467 N N -0.394 118.323 118.700 0.028 0.000 2.171 467 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 467 N C 1.622 177.156 175.510 0.040 0.000 1.021 467 N CA 2.249 55.315 53.050 0.026 0.000 0.854 467 N CB -0.492 38.000 38.487 0.007 0.000 0.994 467 N HN 0.342 nan 8.380 nan 0.000 0.426 468 T N -0.424 114.154 114.554 0.040 0.000 2.788 468 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 468 T C 1.882 176.689 174.700 0.179 0.000 1.044 468 T CA 1.265 63.381 62.100 0.028 0.000 1.139 468 T CB -0.331 68.481 68.868 -0.093 0.000 0.867 468 T HN 0.036 nan 8.240 nan 0.000 0.454 469 V N 1.116 121.175 119.914 0.242 0.000 2.548 469 V HA -0.085 4.035 4.120 -0.000 0.000 0.249 469 V C 2.444 178.681 176.094 0.238 0.000 1.055 469 V CA 1.310 63.795 62.300 0.309 0.000 1.065 469 V CB -0.436 31.507 31.823 0.200 0.000 0.681 469 V HN 0.428 nan 8.190 nan 0.000 0.462 470 K N 0.395 120.878 120.400 0.137 0.000 2.057 470 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 470 K C 2.225 178.871 176.600 0.076 0.000 1.049 470 K CA 1.482 57.824 56.287 0.092 0.000 0.931 470 K CB -0.598 31.935 32.500 0.054 0.000 0.714 470 K HN 0.555 nan 8.250 nan 0.000 0.440 471 G N 0.952 109.787 108.800 0.059 0.000 2.432 471 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 471 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 471 G C 0.830 175.703 174.900 -0.045 0.000 1.135 471 G CA 0.747 45.848 45.100 0.000 0.000 0.767 471 G HN 0.398 nan 8.290 nan 0.000 0.550 472 G N -0.962 107.816 108.800 -0.036 0.000 2.583 472 G HA2 0.435 4.395 3.960 -0.000 0.000 0.275 472 G HA3 0.435 4.395 3.960 -0.000 0.000 0.275 472 G C -0.769 174.122 174.900 -0.016 0.000 1.342 472 G CA -0.224 44.761 45.100 -0.192 0.000 1.030 472 G HN 0.185 nan 8.290 nan 0.000 0.520 473 D N -2.205 118.193 120.400 -0.003 0.000 2.570 473 D HA 0.511 5.151 4.640 -0.000 0.000 0.244 473 D C 0.748 177.103 176.300 0.091 0.000 1.178 473 D CA 0.754 54.781 54.000 0.044 0.000 0.881 473 D CB 2.052 42.854 40.800 0.002 0.000 1.453 473 D HN 0.910 nan 8.370 nan 0.000 0.447 474 G N 1.478 110.324 108.800 0.076 0.000 2.556 474 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.283 474 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.283 474 G C 0.305 175.266 174.900 0.101 0.000 1.177 474 G CA 0.361 45.507 45.100 0.078 0.000 0.978 474 G HN 0.586 nan 8.290 nan 0.000 0.554 475 N N 0.204 118.965 118.700 0.102 0.000 2.346 475 N HA 0.306 5.046 4.740 -0.000 0.000 0.225 475 N C -0.036 175.549 175.510 0.126 0.000 1.144 475 N CA -0.052 53.053 53.050 0.092 0.000 0.837 475 N CB 0.121 38.643 38.487 0.060 0.000 1.069 475 N HN 0.504 nan 8.380 nan 0.000 0.487 476 Y N 0.948 121.281 120.300 0.054 0.000 2.531 476 Y HA 0.387 4.937 4.550 -0.000 0.000 0.347 476 Y C 0.736 176.703 175.900 0.112 0.000 1.024 476 Y CA -0.295 57.854 58.100 0.081 0.000 1.306 476 Y CB -0.168 38.340 38.460 0.079 0.000 1.149 476 Y HN 0.021 nan 8.280 nan 0.000 0.527 477 G N 4.304 112.892 108.800 -0.353 0.000 3.243 477 G HA2 0.286 4.246 3.960 -0.000 0.000 0.248 477 G HA3 0.286 4.246 3.960 -0.000 0.000 0.248 477 G C -2.306 172.429 174.900 -0.275 0.000 1.267 477 G CA -0.828 44.136 45.100 -0.228 0.000 0.906 477 G HN 0.502 nan 8.290 nan 0.000 0.592 478 Y N 1.087 121.181 120.300 -0.344 0.000 2.338 478 Y HA 0.538 5.088 4.550 -0.000 0.000 0.333 478 Y C -0.457 175.243 175.900 -0.333 0.000 0.968 478 Y CA -1.323 56.457 58.100 -0.532 0.000 1.123 478 Y CB 1.647 39.739 38.460 -0.615 0.000 1.165 478 Y HN 0.425 nan 8.280 nan 0.000 0.452 479 N N 4.580 122.843 118.700 -0.728 0.000 2.401 479 N HA 0.190 4.930 4.740 -0.000 0.000 0.255 479 N C 0.459 175.446 175.510 -0.872 0.000 1.110 479 N CA 0.750 53.444 53.050 -0.592 0.000 0.949 479 N CB 1.702 39.964 38.487 -0.375 0.000 1.110 479 N HN 0.948 nan 8.380 nan 0.000 0.490 480 A N 4.101 126.589 122.820 -0.552 0.000 1.968 480 A HA 0.014 4.334 4.320 -0.000 0.000 0.217 480 A C 2.034 179.464 177.584 -0.257 0.000 1.169 480 A CA 1.499 53.305 52.037 -0.385 0.000 0.638 480 A CB -0.522 18.413 19.000 -0.109 0.000 0.812 480 A HN 0.730 nan 8.150 nan 0.000 0.446 481 A N -0.258 122.433 122.820 -0.215 0.000 1.873 481 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 481 A C 2.314 179.809 177.584 -0.147 0.000 1.186 481 A CA 2.366 54.318 52.037 -0.141 0.000 0.616 481 A CB -1.062 17.871 19.000 -0.112 0.000 0.823 481 A HN 0.798 nan 8.150 nan 0.000 0.442 482 T N -3.700 110.734 114.554 -0.200 0.000 3.069 482 T HA 0.260 4.610 4.350 -0.000 0.000 0.252 482 T C 0.274 174.859 174.700 -0.191 0.000 1.053 482 T CA 0.697 62.700 62.100 -0.161 0.000 0.964 482 T CB -0.290 68.497 68.868 -0.135 0.000 1.005 482 T HN 0.562 nan 8.240 nan 0.000 0.532 483 E N 0.963 120.967 120.200 -0.326 0.000 2.539 483 E HA -0.143 4.207 4.350 -0.000 0.000 0.253 483 E C -0.825 175.617 176.600 -0.263 0.000 1.145 483 E CA 0.589 56.799 56.400 -0.316 0.000 0.738 483 E CB -0.799 28.898 29.700 -0.006 0.000 1.308 483 E HN 0.660 nan 8.360 nan 0.000 0.409 484 E N -0.038 119.919 120.200 -0.405 0.000 2.199 484 E HA 0.291 4.641 4.350 -0.000 0.000 0.269 484 E C -0.529 175.908 176.600 -0.273 0.000 0.899 484 E CA -0.617 55.667 56.400 -0.193 0.000 0.772 484 E CB 0.925 30.570 29.700 -0.092 0.000 1.155 484 E HN 0.069 nan 8.360 nan 0.000 0.408 485 Y N 0.617 120.914 120.300 -0.004 0.000 2.336 485 Y HA 0.485 5.035 4.550 -0.000 0.000 0.331 485 Y C 1.326 177.174 175.900 -0.087 0.000 1.211 485 Y CA 1.108 59.170 58.100 -0.062 0.000 1.346 485 Y CB 1.414 39.903 38.460 0.049 0.000 1.271 485 Y HN 0.716 nan 8.280 nan 0.000 0.538 486 G N 1.349 110.090 108.800 -0.098 0.000 2.350 486 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.276 486 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.276 486 G C -1.665 173.222 174.900 -0.022 0.000 1.313 486 G CA -1.222 43.899 45.100 0.036 0.000 0.903 486 G HN 0.492 nan 8.290 nan 0.000 0.490 487 N N 1.256 119.994 118.700 0.064 0.000 2.420 487 N HA 0.150 4.890 4.740 -0.000 0.000 0.262 487 N C 1.779 177.285 175.510 -0.006 0.000 1.144 487 N CA -0.391 52.689 53.050 0.050 0.000 0.952 487 N CB 0.809 39.336 38.487 0.068 0.000 1.081 487 N HN 0.388 nan 8.380 nan 0.000 0.480 488 M N 3.359 122.945 119.600 -0.023 0.000 2.159 488 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 488 M C 1.555 177.840 176.300 -0.024 0.000 1.063 488 M CA 0.906 56.180 55.300 -0.043 0.000 1.110 488 M CB -0.494 32.082 32.600 -0.041 0.000 1.374 488 M HN 0.515 nan 8.290 nan 0.000 0.411 489 I N 0.818 121.385 120.570 -0.004 0.000 2.179 489 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 489 I C 1.876 177.992 176.117 -0.002 0.000 1.088 489 I CA 1.499 62.799 61.300 0.000 0.000 1.357 489 I CB -1.778 36.229 38.000 0.011 0.000 1.051 489 I HN 0.225 nan 8.210 nan 0.000 0.409 490 D N 0.553 120.955 120.400 0.003 0.000 2.144 490 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 490 D C 2.327 178.621 176.300 -0.010 0.000 0.984 490 D CA 1.143 55.144 54.000 0.002 0.000 0.834 490 D CB -0.231 40.577 40.800 0.013 0.000 0.955 490 D HN 0.341 nan 8.370 nan 0.000 0.465 491 M N -0.992 118.594 119.600 -0.022 0.000 2.492 491 M HA 0.093 4.573 4.480 -0.000 0.000 0.262 491 M C 1.589 177.867 176.300 -0.038 0.000 1.090 491 M CA 1.161 56.438 55.300 -0.038 0.000 1.110 491 M CB 0.374 32.935 32.600 -0.064 0.000 1.407 491 M HN 0.232 nan 8.290 nan 0.000 0.470 492 G N 0.906 109.688 108.800 -0.030 0.000 2.313 492 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 492 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 492 G C 0.272 175.155 174.900 -0.029 0.000 1.023 492 G CA -0.496 44.588 45.100 -0.026 0.000 0.626 492 G HN 0.378 nan 8.290 nan 0.000 0.503 493 I N 2.819 123.364 120.570 -0.042 0.000 2.671 493 I HA 0.379 4.549 4.170 -0.000 0.000 0.285 493 I C 0.526 176.625 176.117 -0.030 0.000 1.148 493 I CA 0.448 61.722 61.300 -0.043 0.000 1.386 493 I CB -0.098 37.862 38.000 -0.067 0.000 1.406 493 I HN 0.429 nan 8.210 nan 0.000 0.540 494 L N 4.357 125.568 121.223 -0.019 0.000 2.568 494 L HA 0.731 5.071 4.340 -0.000 0.000 0.257 494 L C -1.389 175.479 176.870 -0.003 0.000 1.024 494 L CA -0.915 53.919 54.840 -0.009 0.000 0.854 494 L CB 1.627 43.684 42.059 -0.004 0.000 1.460 494 L HN 0.125 nan 8.230 nan 0.000 0.409 495 D N -0.053 120.349 120.400 0.004 0.000 2.457 495 D HA 0.535 5.175 4.640 -0.000 0.000 0.240 495 D C -2.752 173.556 176.300 0.014 0.000 1.041 495 D CA -1.293 52.712 54.000 0.009 0.000 0.861 495 D CB 2.398 43.205 40.800 0.010 0.000 1.394 495 D HN 0.359 nan 8.370 nan 0.000 0.473 496 P HA 0.078 nan 4.420 nan 0.000 0.268 496 P C 0.778 178.093 177.300 0.024 0.000 1.205 496 P CA 0.007 63.121 63.100 0.022 0.000 0.771 496 P CB 0.551 32.269 31.700 0.030 0.000 0.858 497 T N 1.361 115.929 114.554 0.023 0.000 2.929 497 T HA -0.153 4.197 4.350 -0.000 0.000 0.271 497 T C 1.558 176.276 174.700 0.029 0.000 1.085 497 T CA 1.223 63.337 62.100 0.024 0.000 1.125 497 T CB -0.221 68.659 68.868 0.020 0.000 0.874 497 T HN 0.464 nan 8.240 nan 0.000 0.494 498 K N 0.967 121.387 120.400 0.033 0.000 2.062 498 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 498 K C 2.435 179.067 176.600 0.052 0.000 1.051 498 K CA 1.033 57.346 56.287 0.043 0.000 0.941 498 K CB -0.197 32.331 32.500 0.046 0.000 0.719 498 K HN 0.321 nan 8.250 nan 0.000 0.440 499 V N -0.994 118.947 119.914 0.046 0.000 2.295 499 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 499 V C 1.773 177.893 176.094 0.044 0.000 1.049 499 V CA 2.296 64.623 62.300 0.044 0.000 1.024 499 V CB -1.164 30.677 31.823 0.031 0.000 0.648 499 V HN 0.228 nan 8.190 nan 0.000 0.447 500 T N 0.239 114.815 114.554 0.036 0.000 2.833 500 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 500 T C 1.965 176.688 174.700 0.039 0.000 1.054 500 T CA 1.992 64.112 62.100 0.034 0.000 1.135 500 T CB -0.348 68.536 68.868 0.027 0.000 0.869 500 T HN 0.644 nan 8.240 nan 0.000 0.466 501 R N 1.166 121.690 120.500 0.041 0.000 2.055 501 R HA -0.055 4.285 4.340 -0.000 0.000 0.228 501 R C 2.564 178.895 176.300 0.052 0.000 1.143 501 R CA 1.609 57.730 56.100 0.036 0.000 0.945 501 R CB -0.398 29.919 30.300 0.028 0.000 0.841 501 R HN 0.277 nan 8.270 nan 0.000 0.429 502 S N 1.360 117.114 115.700 0.090 0.000 2.365 502 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 502 S C 2.172 176.919 174.600 0.246 0.000 1.039 502 S CA 1.360 59.672 58.200 0.187 0.000 1.033 502 S CB -0.572 62.762 63.200 0.222 0.000 0.887 502 S HN 0.577 nan 8.310 nan 0.000 0.447 503 A N 1.722 124.635 122.820 0.155 0.000 1.869 503 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 503 A C 2.206 179.860 177.584 0.116 0.000 1.203 503 A CA 1.956 54.070 52.037 0.127 0.000 0.638 503 A CB -0.988 18.053 19.000 0.069 0.000 0.831 503 A HN 0.411 nan 8.150 nan 0.000 0.450 504 L N -0.479 120.786 121.223 0.070 0.000 2.083 504 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 504 L C 2.564 179.444 176.870 0.018 0.000 1.083 504 L CA 2.320 57.184 54.840 0.039 0.000 0.752 504 L CB -0.572 41.501 42.059 0.023 0.000 0.899 504 L HN 0.531 nan 8.230 nan 0.000 0.433 505 Q N -2.136 117.655 119.800 -0.014 0.000 2.083 505 Q HA -0.190 4.150 4.340 -0.000 0.000 0.198 505 Q C 2.143 178.056 176.000 -0.145 0.000 0.969 505 Q CA 1.854 57.589 55.803 -0.113 0.000 0.838 505 Q CB -0.255 28.354 28.738 -0.215 0.000 0.900 505 Q HN 0.499 nan 8.270 nan 0.000 0.436 506 Y N 0.348 120.652 120.300 0.006 0.000 2.163 506 Y HA -0.188 4.362 4.550 -0.000 0.000 0.288 506 Y C 2.437 178.339 175.900 0.004 0.000 1.136 506 Y CA 1.071 59.174 58.100 0.004 0.000 1.147 506 Y CB -0.683 37.779 38.460 0.003 0.000 0.987 506 Y HN 0.130 nan 8.280 nan 0.000 0.509 507 A N 0.254 123.169 122.820 0.159 0.000 1.903 507 A HA -0.270 4.050 4.320 -0.000 0.000 0.219 507 A C 2.453 180.071 177.584 0.057 0.000 1.191 507 A CA 2.397 54.488 52.037 0.089 0.000 0.638 507 A CB -1.385 17.653 19.000 0.063 0.000 0.823 507 A HN 0.437 nan 8.150 nan 0.000 0.451 508 A N -1.268 121.572 122.820 0.033 0.000 1.933 508 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 508 A C 2.446 180.034 177.584 0.007 0.000 1.175 508 A CA 2.101 54.145 52.037 0.011 0.000 0.628 508 A CB -0.931 18.065 19.000 -0.007 0.000 0.814 508 A HN 0.533 nan 8.150 nan 0.000 0.444 509 S N -0.965 114.737 115.700 0.002 0.000 2.351 509 S HA -0.153 4.317 4.470 -0.000 0.000 0.220 509 S C 1.975 176.594 174.600 0.032 0.000 1.035 509 S CA 1.725 59.927 58.200 0.004 0.000 1.031 509 S CB -0.585 62.618 63.200 0.006 0.000 0.928 509 S HN 0.441 nan 8.310 nan 0.000 0.433 510 V N 1.798 121.747 119.914 0.058 0.000 2.237 510 V HA -0.098 4.022 4.120 -0.000 0.000 0.245 510 V C 2.646 178.761 176.094 0.036 0.000 1.046 510 V CA 2.252 64.585 62.300 0.054 0.000 1.007 510 V CB -1.226 30.637 31.823 0.067 0.000 0.638 510 V HN 0.585 nan 8.190 nan 0.000 0.445 511 A N -0.074 122.766 122.820 0.033 0.000 1.917 511 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 511 A C 2.355 179.950 177.584 0.020 0.000 1.182 511 A CA 2.294 54.346 52.037 0.025 0.000 0.633 511 A CB -1.568 17.445 19.000 0.023 0.000 0.819 511 A HN 0.727 nan 8.150 nan 0.000 0.448 512 G N -0.102 108.708 108.800 0.017 0.000 2.491 512 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 512 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 512 G C 1.556 176.465 174.900 0.015 0.000 1.180 512 G CA 1.154 46.262 45.100 0.013 0.000 0.774 512 G HN 0.460 nan 8.290 nan 0.000 0.562 513 L N -0.380 120.854 121.223 0.018 0.000 2.042 513 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 513 L C 3.098 179.980 176.870 0.020 0.000 1.076 513 L CA 1.199 56.050 54.840 0.019 0.000 0.749 513 L CB -0.297 41.776 42.059 0.022 0.000 0.893 513 L HN 0.251 nan 8.230 nan 0.000 0.432 514 M N -0.928 118.685 119.600 0.021 0.000 2.254 514 M HA -0.161 4.319 4.480 -0.000 0.000 0.265 514 M C 2.225 178.537 176.300 0.019 0.000 1.066 514 M CA 1.568 56.880 55.300 0.022 0.000 1.123 514 M CB -0.115 32.498 32.600 0.023 0.000 1.388 514 M HN 0.193 nan 8.290 nan 0.000 0.425 515 I N -0.142 120.439 120.570 0.018 0.000 2.315 515 I HA -0.237 3.933 4.170 -0.000 0.000 0.248 515 I C 2.118 178.245 176.117 0.017 0.000 1.117 515 I CA 1.528 62.838 61.300 0.016 0.000 1.404 515 I CB -0.383 37.625 38.000 0.014 0.000 1.071 515 I HN 0.386 nan 8.210 nan 0.000 0.419 516 T N -2.895 111.669 114.554 0.017 0.000 3.129 516 T HA 0.064 4.414 4.350 -0.000 0.000 0.251 516 T C 0.855 175.568 174.700 0.022 0.000 1.117 516 T CA -0.056 62.055 62.100 0.018 0.000 1.034 516 T CB -0.688 68.190 68.868 0.016 0.000 0.968 516 T HN 0.077 nan 8.240 nan 0.000 0.526 517 T N 2.758 117.325 114.554 0.022 0.000 2.930 517 T HA 0.185 4.535 4.350 -0.000 0.000 0.306 517 T C 0.704 175.422 174.700 0.030 0.000 1.045 517 T CA -0.291 61.823 62.100 0.024 0.000 1.134 517 T CB 1.098 69.979 68.868 0.022 0.000 0.961 517 T HN 0.163 nan 8.240 nan 0.000 0.545 518 E N -0.279 119.944 120.200 0.037 0.000 2.571 518 E HA 0.191 4.541 4.350 -0.000 0.000 0.222 518 E C 0.094 176.731 176.600 0.062 0.000 0.904 518 E CA 0.001 56.438 56.400 0.063 0.000 1.157 518 E CB 0.919 30.669 29.700 0.084 0.000 1.158 518 E HN 0.594 nan 8.360 nan 0.000 0.540 519 C N 0.204 119.502 119.300 -0.003 0.000 3.171 519 C HA 0.756 5.216 4.460 -0.000 0.000 0.308 519 C C -1.583 173.344 174.990 -0.104 0.000 1.334 519 C CA -0.441 58.494 59.018 -0.138 0.000 1.473 519 C CB 1.140 28.776 27.740 -0.172 0.000 1.866 519 C HN 0.190 nan 8.230 nan 0.000 0.465 520 M N 4.089 123.601 119.600 -0.147 0.000 2.265 520 M HA 0.345 4.825 4.480 -0.000 0.000 0.251 520 M C -1.352 175.062 176.300 0.191 0.000 1.005 520 M CA -0.219 55.124 55.300 0.072 0.000 0.998 520 M CB 1.769 34.516 32.600 0.245 0.000 2.070 520 M HN 0.424 nan 8.290 nan 0.000 0.476 521 V N 1.424 121.365 119.914 0.046 0.000 2.483 521 V HA 0.888 5.008 4.120 -0.000 0.000 0.295 521 V C -0.031 175.989 176.094 -0.123 0.000 1.035 521 V CA -0.366 61.932 62.300 -0.003 0.000 0.896 521 V CB 1.908 33.712 31.823 -0.031 0.000 0.986 521 V HN 0.885 nan 8.190 nan 0.000 0.447 522 T N 1.462 115.894 114.554 -0.203 0.000 2.749 522 T HA 0.259 4.609 4.350 -0.000 0.000 0.310 522 T C -1.319 173.260 174.700 -0.200 0.000 1.496 522 T CA -0.609 61.310 62.100 -0.301 0.000 1.006 522 T CB 1.867 70.349 68.868 -0.644 0.000 1.457 522 T HN 0.719 nan 8.240 nan 0.000 0.497 523 D N 1.125 121.425 120.400 -0.166 0.000 2.362 523 D HA 0.241 4.881 4.640 -0.000 0.000 0.238 523 D C -0.081 176.167 176.300 -0.086 0.000 1.212 523 D CA -0.067 53.874 54.000 -0.099 0.000 0.902 523 D CB 0.592 41.344 40.800 -0.079 0.000 1.180 523 D HN 0.197 nan 8.370 nan 0.000 0.445 524 L N 2.165 123.364 121.223 -0.039 0.000 2.371 524 L HA 0.267 4.607 4.340 -0.000 0.000 0.272 524 L C -1.476 175.382 176.870 -0.020 0.000 1.124 524 L CA -1.109 53.723 54.840 -0.013 0.000 0.816 524 L CB -0.155 41.907 42.059 0.005 0.000 1.129 524 L HN 0.276 nan 8.230 nan 0.000 0.448 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.094 63.100 -0.010 0.000 0.800 525 P CB 0.000 31.702 31.700 0.003 0.000 0.726