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 2eu1_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 QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEK 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 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 1.875 124.692 122.820 -0.005 0.000 2.548 3 A HA 0.498 4.818 4.320 0.000 0.000 0.247 3 A C 0.368 177.947 177.584 -0.008 0.000 1.067 3 A CA 0.465 52.502 52.037 -0.000 0.000 0.757 3 A CB -0.224 18.779 19.000 0.004 0.000 0.996 3 A HN 0.606 nan 8.150 nan 0.000 0.504 4 K N 1.469 121.867 120.400 -0.003 0.000 2.210 4 K HA 0.483 4.803 4.320 0.000 0.000 0.236 4 K C -0.927 175.678 176.600 0.007 0.000 1.016 4 K CA -0.715 55.563 56.287 -0.016 0.000 0.913 4 K CB 1.064 33.554 32.500 -0.017 0.000 1.141 4 K HN 0.720 nan 8.250 nan 0.000 0.462 5 D N 0.514 120.916 120.400 0.003 0.000 2.375 5 D HA 0.369 5.009 4.640 0.000 0.000 0.247 5 D C -1.433 174.959 176.300 0.153 0.000 1.061 5 D CA -0.611 53.440 54.000 0.085 0.000 0.834 5 D CB 1.443 42.301 40.800 0.097 0.000 1.247 5 D HN 0.042 nan 8.370 nan 0.000 0.489 6 V N 4.494 124.489 119.914 0.135 0.000 2.444 6 V HA 0.388 4.508 4.120 0.000 0.000 0.294 6 V C 0.176 176.202 176.094 -0.114 0.000 1.022 6 V CA -0.808 61.496 62.300 0.008 0.000 0.850 6 V CB 1.740 33.511 31.823 -0.086 0.000 0.992 6 V HN 0.381 nan 8.190 nan 0.000 0.426 7 K N 3.613 123.859 120.400 -0.257 0.000 2.156 7 K HA 0.721 5.041 4.320 0.000 0.000 0.254 7 K C -1.457 174.819 176.600 -0.540 0.000 0.950 7 K CA -0.492 55.562 56.287 -0.388 0.000 0.849 7 K CB 2.066 34.137 32.500 -0.716 0.000 1.100 7 K HN 0.424 nan 8.250 nan 0.000 0.434 8 F N -0.089 119.807 119.950 -0.090 0.000 2.561 8 F HA 0.353 4.880 4.527 0.000 0.000 0.321 8 F C 1.132 176.896 175.800 -0.060 0.000 1.065 8 F CA 0.003 57.970 58.000 -0.054 0.000 0.934 8 F CB 1.696 40.678 39.000 -0.030 0.000 1.215 8 F HN 0.837 nan 8.300 nan 0.000 0.471 9 G N 2.508 111.421 108.800 0.190 0.000 2.549 9 G HA2 -0.438 3.522 3.960 0.000 0.000 0.338 9 G HA3 -0.438 3.522 3.960 0.000 0.000 0.338 9 G C 1.282 176.197 174.900 0.026 0.000 1.342 9 G CA 0.669 45.823 45.100 0.090 0.000 0.935 9 G HN 0.858 nan 8.290 nan 0.000 0.534 10 N N 0.007 118.718 118.700 0.017 0.000 2.171 10 N HA -0.302 4.438 4.740 0.000 0.000 0.200 10 N C 1.753 177.247 175.510 -0.025 0.000 0.991 10 N CA 2.798 55.846 53.050 -0.003 0.000 0.906 10 N CB -0.393 38.093 38.487 -0.001 0.000 1.060 10 N HN 0.646 nan 8.380 nan 0.000 0.510 11 D N 0.019 120.402 120.400 -0.029 0.000 2.092 11 D HA -0.073 4.567 4.640 0.000 0.000 0.193 11 D C 1.745 177.963 176.300 -0.138 0.000 0.994 11 D CA 1.774 55.732 54.000 -0.069 0.000 0.828 11 D CB -0.526 40.240 40.800 -0.057 0.000 0.963 11 D HN 0.416 nan 8.370 nan 0.000 0.450 12 A N 0.098 122.823 122.820 -0.158 0.000 2.070 12 A HA -0.129 4.191 4.320 0.000 0.000 0.220 12 A C 2.273 179.774 177.584 -0.139 0.000 1.159 12 A CA 1.101 52.994 52.037 -0.241 0.000 0.656 12 A CB -0.314 18.557 19.000 -0.215 0.000 0.800 12 A HN 0.211 nan 8.150 nan 0.000 0.453 13 R N -0.624 119.830 120.500 -0.077 0.000 2.066 13 R HA -0.041 4.299 4.340 0.000 0.000 0.224 13 R C 2.157 178.436 176.300 -0.036 0.000 1.122 13 R CA 1.303 57.379 56.100 -0.040 0.000 0.974 13 R CB -0.680 29.609 30.300 -0.020 0.000 0.871 13 R HN 0.529 nan 8.270 nan 0.000 0.435 14 V N 0.236 120.125 119.914 -0.040 0.000 2.660 14 V HA -0.211 3.909 4.120 0.000 0.000 0.257 14 V C 1.827 177.903 176.094 -0.030 0.000 1.088 14 V CA 1.607 63.889 62.300 -0.030 0.000 1.106 14 V CB -0.466 31.339 31.823 -0.030 0.000 0.686 14 V HN 0.163 nan 8.190 nan 0.000 0.481 15 K N -0.209 120.160 120.400 -0.052 0.000 2.044 15 K HA 0.098 4.418 4.320 0.000 0.000 0.204 15 K C 2.236 178.843 176.600 0.012 0.000 1.049 15 K CA 1.714 57.983 56.287 -0.029 0.000 0.945 15 K CB -0.282 32.168 32.500 -0.083 0.000 0.724 15 K HN 0.500 nan 8.250 nan 0.000 0.440 16 M N 0.671 120.276 119.600 0.008 0.000 2.149 16 M HA -0.198 4.282 4.480 0.000 0.000 0.261 16 M C 2.261 178.571 176.300 0.017 0.000 1.064 16 M CA 1.167 56.483 55.300 0.026 0.000 1.102 16 M CB -0.345 32.267 32.600 0.020 0.000 1.369 16 M HN 0.063 nan 8.290 nan 0.000 0.408 17 L N 0.606 121.833 121.223 0.007 0.000 1.976 17 L HA -0.155 4.185 4.340 0.000 0.000 0.209 17 L C 2.372 179.246 176.870 0.007 0.000 1.071 17 L CA 1.911 56.755 54.840 0.006 0.000 0.746 17 L CB -0.646 41.413 42.059 0.000 0.000 0.890 17 L HN 0.142 nan 8.230 nan 0.000 0.432 18 R N -0.530 119.974 120.500 0.007 0.000 2.170 18 R HA -0.161 4.179 4.340 0.000 0.000 0.242 18 R C 2.046 178.354 176.300 0.013 0.000 1.145 18 R CA 1.082 57.187 56.100 0.009 0.000 0.984 18 R CB -0.794 29.511 30.300 0.009 0.000 0.869 18 R HN 0.650 nan 8.270 nan 0.000 0.455 19 G N -0.044 108.767 108.800 0.019 0.000 2.425 19 G HA2 -0.193 3.767 3.960 0.000 0.000 0.213 19 G HA3 -0.193 3.767 3.960 0.000 0.000 0.213 19 G C 1.242 176.150 174.900 0.013 0.000 1.201 19 G CA 0.342 45.454 45.100 0.021 0.000 0.799 19 G HN 0.231 nan 8.290 nan 0.000 0.534 20 V N 1.335 121.257 119.914 0.013 0.000 2.828 20 V HA -0.149 3.971 4.120 0.000 0.000 0.260 20 V C 2.219 178.316 176.094 0.006 0.000 1.101 20 V CA 2.072 64.377 62.300 0.009 0.000 1.123 20 V CB -0.533 31.297 31.823 0.010 0.000 0.704 20 V HN 0.287 nan 8.190 nan 0.000 0.493 21 N N -0.065 118.638 118.700 0.006 0.000 2.173 21 N HA -0.063 4.677 4.740 0.000 0.000 0.184 21 N C 1.784 177.296 175.510 0.003 0.000 1.025 21 N CA 1.650 54.702 53.050 0.004 0.000 0.852 21 N CB -0.339 38.150 38.487 0.004 0.000 0.998 21 N HN 0.423 nan 8.380 nan 0.000 0.427 22 V N 2.267 122.183 119.914 0.004 0.000 2.324 22 V HA -0.225 3.895 4.120 0.000 0.000 0.250 22 V C 2.400 178.493 176.094 -0.000 0.000 1.060 22 V CA 1.257 63.557 62.300 0.002 0.000 1.042 22 V CB -0.617 31.207 31.823 0.003 0.000 0.650 22 V HN 0.193 nan 8.190 nan 0.000 0.450 23 L N 0.965 122.188 121.223 0.000 0.000 1.925 23 L HA -0.067 4.273 4.340 0.000 0.000 0.215 23 L C 2.542 179.410 176.870 -0.003 0.000 1.082 23 L CA 2.547 57.385 54.840 -0.003 0.000 0.764 23 L CB -1.436 40.622 42.059 -0.002 0.000 0.887 23 L HN 0.201 nan 8.230 nan 0.000 0.432 24 A N -0.521 122.299 122.820 -0.001 0.000 1.896 24 A HA -0.340 3.980 4.320 0.000 0.000 0.220 24 A C 2.026 179.610 177.584 -0.001 0.000 1.206 24 A CA 2.427 54.463 52.037 -0.000 0.000 0.647 24 A CB -1.376 17.625 19.000 0.002 0.000 0.828 24 A HN 0.723 nan 8.150 nan 0.000 0.455 25 D N -0.433 119.967 120.400 -0.001 0.000 2.221 25 D HA -0.061 4.579 4.640 0.000 0.000 0.204 25 D C 2.101 178.399 176.300 -0.002 0.000 0.982 25 D CA 1.457 55.456 54.000 -0.001 0.000 0.857 25 D CB -0.260 40.540 40.800 -0.001 0.000 0.934 25 D HN 0.524 nan 8.370 nan 0.000 0.475 26 A N 0.415 123.233 122.820 -0.003 0.000 1.878 26 A HA -0.030 4.290 4.320 0.000 0.000 0.213 26 A C 2.312 179.893 177.584 -0.006 0.000 1.192 26 A CA 0.543 52.577 52.037 -0.005 0.000 0.619 26 A CB -0.576 18.421 19.000 -0.006 0.000 0.837 26 A HN 0.156 nan 8.150 nan 0.000 0.446 27 V N 1.269 121.179 119.914 -0.006 0.000 2.667 27 V HA -0.175 3.945 4.120 0.000 0.000 0.252 27 V C 2.346 178.436 176.094 -0.005 0.000 1.065 27 V CA 2.389 64.685 62.300 -0.007 0.000 1.083 27 V CB -0.574 31.244 31.823 -0.008 0.000 0.692 27 V HN 0.798 nan 8.190 nan 0.000 0.468 28 K N 0.283 120.681 120.400 -0.004 0.000 2.365 28 K HA -0.012 4.308 4.320 0.000 0.000 0.197 28 K C 1.787 178.385 176.600 -0.002 0.000 1.042 28 K CA 1.421 57.706 56.287 -0.002 0.000 0.987 28 K CB -0.460 32.040 32.500 -0.001 0.000 0.779 28 K HN 0.454 nan 8.250 nan 0.000 0.484 29 V N 0.632 120.545 119.914 -0.003 0.000 2.688 29 V HA -0.169 3.951 4.120 0.000 0.000 0.256 29 V C 1.956 178.048 176.094 -0.003 0.000 1.084 29 V CA 1.930 64.228 62.300 -0.003 0.000 1.103 29 V CB -1.404 30.417 31.823 -0.003 0.000 0.688 29 V HN 0.522 nan 8.190 nan 0.000 0.480 30 T N -1.277 113.275 114.554 -0.004 0.000 3.473 30 T HA 0.384 4.734 4.350 0.000 0.000 0.247 30 T C -0.102 174.596 174.700 -0.005 0.000 1.010 30 T CA -0.236 61.861 62.100 -0.005 0.000 0.940 30 T CB -0.530 68.334 68.868 -0.007 0.000 1.068 30 T HN 0.358 nan 8.240 nan 0.000 0.604 31 L N 1.592 122.813 121.223 -0.003 0.000 2.329 31 L HA 0.767 5.107 4.340 0.000 0.000 0.279 31 L C 0.582 177.452 176.870 -0.001 0.000 1.014 31 L CA 0.950 55.788 54.840 -0.002 0.000 0.814 31 L CB 0.852 42.911 42.059 0.000 0.000 1.257 31 L HN 0.652 nan 8.230 nan 0.000 0.424 32 G N 4.725 113.524 108.800 -0.002 0.000 2.795 32 G HA2 -0.165 3.795 3.960 0.000 0.000 0.664 32 G HA3 -0.165 3.795 3.960 0.000 0.000 0.664 32 G C -2.063 172.832 174.900 -0.008 0.000 1.381 32 G CA -0.356 44.742 45.100 -0.003 0.000 0.853 32 G HN 0.610 nan 8.290 nan 0.000 0.545 33 P HA -0.141 nan 4.420 nan 0.000 0.213 33 P C 1.132 178.424 177.300 -0.013 0.000 1.176 33 P CA 1.773 64.861 63.100 -0.020 0.000 0.919 33 P CB -0.094 31.586 31.700 -0.033 0.000 0.791 34 K N 0.724 121.119 120.400 -0.009 0.000 2.743 34 K HA 0.130 4.450 4.320 0.000 0.000 0.219 34 K C 1.210 177.808 176.600 -0.003 0.000 1.003 34 K CA 0.034 56.318 56.287 -0.005 0.000 1.156 34 K CB -0.871 31.629 32.500 -0.000 0.000 0.932 34 K HN 0.193 nan 8.250 nan 0.000 0.490 35 G N 1.674 110.472 108.800 -0.004 0.000 2.562 35 G HA2 -0.039 3.921 3.960 0.000 0.000 0.233 35 G HA3 -0.039 3.921 3.960 0.000 0.000 0.233 35 G C 0.273 175.171 174.900 -0.004 0.000 1.266 35 G CA -0.414 44.684 45.100 -0.003 0.000 0.852 35 G HN 0.171 nan 8.290 nan 0.000 0.581 36 R N 0.773 121.271 120.500 -0.003 0.000 2.549 36 R HA 0.268 4.608 4.340 0.000 0.000 0.259 36 R C 0.059 176.356 176.300 -0.004 0.000 1.095 36 R CA -0.836 55.261 56.100 -0.004 0.000 1.148 36 R CB 0.197 30.496 30.300 -0.003 0.000 1.181 36 R HN 0.646 nan 8.270 nan 0.000 0.571 37 N N -1.062 117.635 118.700 -0.005 0.000 2.495 37 N HA 0.432 5.172 4.740 0.000 0.000 0.280 37 N C -1.078 174.429 175.510 -0.006 0.000 1.168 37 N CA -0.567 52.480 53.050 -0.005 0.000 0.978 37 N CB 1.378 39.862 38.487 -0.005 0.000 1.191 37 N HN 0.094 nan 8.380 nan 0.000 0.497 38 V N 1.279 121.189 119.914 -0.006 0.000 2.525 38 V HA 0.283 4.403 4.120 0.000 0.000 0.299 38 V C -0.481 175.609 176.094 -0.007 0.000 1.034 38 V CA -0.896 61.400 62.300 -0.007 0.000 0.863 38 V CB 1.634 33.452 31.823 -0.008 0.000 0.999 38 V HN 0.340 nan 8.190 nan 0.000 0.423 39 V N 6.345 126.254 119.914 -0.008 0.000 2.461 39 V HA 0.368 4.488 4.120 0.000 0.000 0.275 39 V C -0.002 176.086 176.094 -0.010 0.000 1.047 39 V CA -0.212 62.083 62.300 -0.008 0.000 0.955 39 V CB 1.196 33.013 31.823 -0.009 0.000 0.988 39 V HN 0.646 nan 8.190 nan 0.000 0.471 40 L N 4.110 125.327 121.223 -0.010 0.000 2.324 40 L HA 0.432 4.772 4.340 0.000 0.000 0.274 40 L C -0.044 176.819 176.870 -0.012 0.000 1.012 40 L CA -0.592 54.241 54.840 -0.011 0.000 0.859 40 L CB 1.318 43.371 42.059 -0.010 0.000 1.224 40 L HN 0.579 nan 8.230 nan 0.000 0.429 41 D N 3.394 123.784 120.400 -0.016 0.000 2.472 41 D HA 0.005 4.645 4.640 0.000 0.000 0.237 41 D C -0.151 176.139 176.300 -0.017 0.000 1.141 41 D CA 0.562 54.550 54.000 -0.021 0.000 0.875 41 D CB 0.857 41.638 40.800 -0.032 0.000 1.192 41 D HN 0.369 nan 8.370 nan 0.000 0.450 42 K N 2.588 122.980 120.400 -0.013 0.000 2.616 42 K HA 0.214 4.534 4.320 0.000 0.000 0.241 42 K C 0.888 177.491 176.600 0.005 0.000 0.961 42 K CA -0.173 56.114 56.287 0.001 0.000 0.942 42 K CB 0.433 32.941 32.500 0.013 0.000 1.153 42 K HN 0.683 nan 8.250 nan 0.000 0.452 43 S N 3.143 118.840 115.700 -0.006 0.000 2.430 43 S HA -0.326 4.144 4.470 0.000 0.000 0.536 43 S C 0.377 174.944 174.600 -0.056 0.000 0.920 43 S CA 1.339 59.531 58.200 -0.015 0.000 3.374 43 S CB -1.050 62.188 63.200 0.064 0.000 2.344 43 S HN 0.506 nan 8.310 nan 0.000 0.568 44 F N 3.318 123.266 119.950 -0.004 0.000 2.449 44 F HA 0.694 5.221 4.527 0.000 0.000 0.342 44 F C 1.013 176.811 175.800 -0.004 0.000 1.127 44 F CA 0.710 58.708 58.000 -0.004 0.000 0.975 44 F CB 1.572 40.570 39.000 -0.004 0.000 1.146 44 F HN 1.024 nan 8.300 nan 0.000 0.444 45 G N 1.820 110.756 108.800 0.226 0.000 2.278 45 G HA2 0.441 4.401 3.960 0.000 0.000 0.265 45 G HA3 0.441 4.401 3.960 0.000 0.000 0.265 45 G C -1.944 172.997 174.900 0.069 0.000 1.329 45 G CA -0.398 44.781 45.100 0.131 0.000 1.017 45 G HN 0.904 nan 8.290 nan 0.000 0.472 46 A N 0.484 123.332 122.820 0.045 0.000 2.305 46 A HA 0.888 5.208 4.320 0.000 0.000 0.322 46 A C -1.825 175.768 177.584 0.015 0.000 1.187 46 A CA -1.011 51.041 52.037 0.024 0.000 0.825 46 A CB 0.379 19.392 19.000 0.021 0.000 1.164 46 A HN 0.602 nan 8.150 nan 0.000 0.498 47 P HA 0.129 nan 4.420 nan 0.000 0.270 47 P C -0.254 177.047 177.300 0.002 0.000 1.216 47 P CA 0.407 63.506 63.100 -0.001 0.000 0.788 47 P CB 0.329 32.025 31.700 -0.006 0.000 0.883 48 T N 1.629 116.183 114.554 -0.001 0.000 2.779 48 T HA 0.532 4.882 4.350 0.000 0.000 0.280 48 T C 0.075 174.773 174.700 -0.003 0.000 0.987 48 T CA -0.323 61.777 62.100 -0.001 0.000 0.966 48 T CB 0.222 69.089 68.868 -0.001 0.000 0.933 48 T HN 0.163 nan 8.240 nan 0.000 0.442 49 I N 2.875 123.444 120.570 -0.003 0.000 2.330 49 I HA 0.465 4.635 4.170 0.000 0.000 0.289 49 I C 0.408 176.523 176.117 -0.004 0.000 1.001 49 I CA -0.411 60.887 61.300 -0.004 0.000 1.193 49 I CB 1.600 39.598 38.000 -0.003 0.000 1.345 49 I HN 0.495 nan 8.210 nan 0.000 0.461 50 T N 4.761 119.312 114.554 -0.006 0.000 2.896 50 T HA 0.400 4.750 4.350 0.000 0.000 0.297 50 T C 0.069 174.764 174.700 -0.007 0.000 1.108 50 T CA -0.535 61.561 62.100 -0.006 0.000 1.004 50 T CB 1.762 70.626 68.868 -0.007 0.000 1.159 50 T HN 0.623 nan 8.240 nan 0.000 0.499 51 K N 1.423 121.818 120.400 -0.007 0.000 2.469 51 K HA 0.190 4.510 4.320 0.000 0.000 0.204 51 K C -0.747 175.848 176.600 -0.009 0.000 1.047 51 K CA -0.162 56.120 56.287 -0.007 0.000 1.072 51 K CB 0.530 33.025 32.500 -0.007 0.000 0.863 51 K HN 0.460 nan 8.250 nan 0.000 0.530 52 D N 0.014 120.408 120.400 -0.010 0.000 2.411 52 D HA 0.113 4.753 4.640 0.000 0.000 0.225 52 D C 1.238 177.530 176.300 -0.013 0.000 1.156 52 D CA -0.133 53.860 54.000 -0.012 0.000 0.874 52 D CB 1.135 41.927 40.800 -0.012 0.000 1.034 52 D HN 0.206 nan 8.370 nan 0.000 0.502 53 G N 2.363 111.155 108.800 -0.013 0.000 2.499 53 G HA2 -0.231 3.729 3.960 0.000 0.000 0.221 53 G HA3 -0.231 3.729 3.960 0.000 0.000 0.221 53 G C 1.423 176.313 174.900 -0.018 0.000 1.109 53 G CA 0.901 45.993 45.100 -0.014 0.000 0.749 53 G HN 0.489 nan 8.290 nan 0.000 0.568 54 V N 0.778 120.680 119.914 -0.021 0.000 2.427 54 V HA -0.146 3.974 4.120 0.000 0.000 0.248 54 V C 2.933 179.012 176.094 -0.024 0.000 1.051 54 V CA 2.108 64.392 62.300 -0.026 0.000 1.048 54 V CB -0.535 31.270 31.823 -0.031 0.000 0.666 54 V HN 0.336 nan 8.190 nan 0.000 0.456 55 S N -0.037 115.651 115.700 -0.021 0.000 2.395 55 S HA -0.085 4.385 4.470 0.000 0.000 0.225 55 S C 2.055 176.644 174.600 -0.018 0.000 1.027 55 S CA 1.113 59.301 58.200 -0.019 0.000 0.965 55 S CB -0.044 63.147 63.200 -0.016 0.000 0.812 55 S HN 0.362 nan 8.310 nan 0.000 0.482 56 V N 2.106 122.011 119.914 -0.016 0.000 2.392 56 V HA -0.211 3.909 4.120 0.000 0.000 0.249 56 V C 2.580 178.664 176.094 -0.016 0.000 1.059 56 V CA 1.750 64.041 62.300 -0.014 0.000 1.051 56 V CB -1.049 30.767 31.823 -0.012 0.000 0.658 56 V HN 0.542 nan 8.190 nan 0.000 0.455 57 A N -0.254 122.555 122.820 -0.018 0.000 1.897 57 A HA -0.193 4.127 4.320 0.000 0.000 0.215 57 A C 2.386 179.956 177.584 -0.023 0.000 1.181 57 A CA 1.574 53.599 52.037 -0.020 0.000 0.620 57 A CB -0.560 18.426 19.000 -0.023 0.000 0.821 57 A HN 0.453 nan 8.150 nan 0.000 0.443 58 R N -0.344 120.141 120.500 -0.025 0.000 2.139 58 R HA -0.174 4.166 4.340 0.000 0.000 0.243 58 R C 1.417 177.702 176.300 -0.026 0.000 1.145 58 R CA 1.726 57.809 56.100 -0.028 0.000 0.976 58 R CB -0.080 30.202 30.300 -0.030 0.000 0.866 58 R HN 0.477 nan 8.270 nan 0.000 0.449 59 E N 0.120 120.308 120.200 -0.021 0.000 2.250 59 E HA 0.008 4.358 4.350 0.000 0.000 0.192 59 E C 0.548 177.137 176.600 -0.017 0.000 0.986 59 E CA 0.031 56.419 56.400 -0.019 0.000 0.849 59 E CB 0.154 29.844 29.700 -0.016 0.000 0.797 59 E HN 0.214 nan 8.360 nan 0.000 0.482 60 I N 1.951 122.512 120.570 -0.016 0.000 2.752 60 I HA -0.013 4.157 4.170 0.000 0.000 0.287 60 I C 0.526 176.635 176.117 -0.014 0.000 1.188 60 I CA 0.711 62.003 61.300 -0.014 0.000 1.427 60 I CB -0.019 37.974 38.000 -0.012 0.000 1.365 60 I HN 0.055 nan 8.210 nan 0.000 0.585 61 E N 6.358 126.551 120.200 -0.012 0.000 2.846 61 E HA 0.248 4.599 4.350 0.000 0.000 0.363 61 E C -1.590 175.003 176.600 -0.010 0.000 0.933 61 E CA -0.413 55.979 56.400 -0.013 0.000 0.766 61 E CB 0.833 30.523 29.700 -0.016 0.000 1.404 61 E HN 0.437 nan 8.360 nan 0.000 0.408 62 L N 2.776 123.995 121.223 -0.006 0.000 2.475 62 L HA 0.284 4.624 4.340 0.000 0.000 0.253 62 L C 1.779 178.646 176.870 -0.006 0.000 1.198 62 L CA -0.036 54.802 54.840 -0.002 0.000 0.814 62 L CB 0.550 42.613 42.059 0.006 0.000 1.134 62 L HN 0.698 nan 8.230 nan 0.000 0.478 63 E N 0.302 120.500 120.200 -0.002 0.000 2.051 63 E HA -0.157 4.193 4.350 0.000 0.000 0.189 63 E C 0.554 177.152 176.600 -0.004 0.000 0.979 63 E CA 0.225 56.622 56.400 -0.005 0.000 0.803 63 E CB 0.221 29.920 29.700 -0.002 0.000 0.761 63 E HN 0.649 nan 8.360 nan 0.000 0.451 64 D N 1.149 121.558 120.400 0.015 0.000 2.389 64 D HA -0.079 4.561 4.640 0.000 0.000 0.263 64 D C 0.701 177.007 176.300 0.010 0.000 1.255 64 D CA 0.027 54.048 54.000 0.035 0.000 0.914 64 D CB 0.757 41.605 40.800 0.080 0.000 1.116 64 D HN 0.090 nan 8.370 nan 0.000 0.502 65 K N 3.729 124.089 120.400 -0.068 0.000 2.163 65 K HA -0.233 4.087 4.320 0.000 0.000 0.210 65 K C 1.793 178.272 176.600 -0.202 0.000 1.048 65 K CA 1.389 57.565 56.287 -0.185 0.000 0.928 65 K CB -0.538 31.759 32.500 -0.339 0.000 0.716 65 K HN 0.459 nan 8.250 nan 0.000 0.459 66 F N 1.522 121.459 119.950 -0.023 0.000 2.074 66 F HA -0.033 4.494 4.527 0.000 0.000 0.290 66 F C 2.620 178.407 175.800 -0.021 0.000 1.118 66 F CA 1.011 58.995 58.000 -0.027 0.000 1.199 66 F CB -0.787 38.196 39.000 -0.029 0.000 1.012 66 F HN 0.053 nan 8.300 nan 0.000 0.472 67 E N 0.133 120.451 120.200 0.196 0.000 2.136 67 E HA -0.343 4.007 4.350 0.000 0.000 0.202 67 E C 1.889 178.525 176.600 0.060 0.000 1.019 67 E CA 1.741 58.200 56.400 0.097 0.000 0.819 67 E CB -0.453 29.287 29.700 0.067 0.000 0.739 67 E HN 0.326 nan 8.360 nan 0.000 0.458 68 N N 0.513 119.237 118.700 0.040 0.000 2.043 68 N HA -0.200 4.540 4.740 0.000 0.000 0.193 68 N C 1.787 177.303 175.510 0.011 0.000 1.037 68 N CA 1.721 54.778 53.050 0.011 0.000 0.851 68 N CB -0.093 38.386 38.487 -0.012 0.000 1.027 68 N HN 0.075 nan 8.380 nan 0.000 0.422 69 M N -0.539 119.070 119.600 0.014 0.000 2.108 69 M HA -0.138 4.342 4.480 0.000 0.000 0.257 69 M C 2.228 178.544 176.300 0.027 0.000 1.071 69 M CA 1.951 57.260 55.300 0.016 0.000 1.093 69 M CB -0.821 31.799 32.600 0.032 0.000 1.345 69 M HN 0.385 nan 8.290 nan 0.000 0.403 70 G N -0.331 108.495 108.800 0.043 0.000 2.418 70 G HA2 -0.126 3.834 3.960 0.000 0.000 0.217 70 G HA3 -0.126 3.834 3.960 0.000 0.000 0.217 70 G C 1.573 176.485 174.900 0.019 0.000 1.158 70 G CA 0.984 46.104 45.100 0.033 0.000 0.771 70 G HN 0.578 nan 8.290 nan 0.000 0.545 71 A N -0.644 122.185 122.820 0.016 0.000 2.067 71 A HA 0.121 4.441 4.320 0.000 0.000 0.217 71 A C 2.295 179.879 177.584 -0.000 0.000 1.156 71 A CA 1.216 53.257 52.037 0.007 0.000 0.683 71 A CB -0.097 18.906 19.000 0.005 0.000 0.808 71 A HN 0.300 nan 8.150 nan 0.000 0.455 72 Q N -0.921 118.879 119.800 -0.000 0.000 2.331 72 Q HA 0.103 4.443 4.340 0.000 0.000 0.203 72 Q C 1.919 177.915 176.000 -0.007 0.000 0.944 72 Q CA 0.799 56.598 55.803 -0.008 0.000 0.892 72 Q CB -0.146 28.586 28.738 -0.010 0.000 0.983 72 Q HN 0.754 nan 8.270 nan 0.000 0.482 73 M N -0.135 119.465 119.600 0.001 0.000 2.134 73 M HA -0.098 4.382 4.480 0.000 0.000 0.262 73 M C 2.148 178.448 176.300 0.000 0.000 1.076 73 M CA 1.132 56.434 55.300 0.003 0.000 1.143 73 M CB -0.235 32.372 32.600 0.012 0.000 1.346 73 M HN 0.086 nan 8.290 nan 0.000 0.421 74 V N -0.855 119.061 119.914 0.003 0.000 3.241 74 V HA -0.152 3.968 4.120 0.000 0.000 0.269 74 V C 1.750 177.838 176.094 -0.011 0.000 1.151 74 V CA 1.681 63.982 62.300 0.003 0.000 1.158 74 V CB -0.789 31.038 31.823 0.008 0.000 0.764 74 V HN 0.453 nan 8.190 nan 0.000 0.508 75 K N 0.057 120.447 120.400 -0.017 0.000 2.284 75 K HA -0.007 4.313 4.320 0.000 0.000 0.198 75 K C 2.169 178.742 176.600 -0.045 0.000 1.048 75 K CA 0.858 57.128 56.287 -0.029 0.000 0.987 75 K CB -0.030 32.456 32.500 -0.024 0.000 0.800 75 K HN 0.697 nan 8.250 nan 0.000 0.486 76 E N 0.741 120.917 120.200 -0.041 0.000 2.015 76 E HA -0.171 4.179 4.350 0.000 0.000 0.191 76 E C 1.960 178.505 176.600 -0.092 0.000 0.991 76 E CA 1.746 58.114 56.400 -0.053 0.000 0.802 76 E CB -0.038 29.642 29.700 -0.034 0.000 0.759 76 E HN 0.188 nan 8.360 nan 0.000 0.447 77 V N -0.025 119.840 119.914 -0.082 0.000 2.237 77 V HA -0.121 3.999 4.120 0.000 0.000 0.245 77 V C 2.465 178.424 176.094 -0.226 0.000 1.046 77 V CA 2.133 64.346 62.300 -0.145 0.000 1.007 77 V CB -1.324 30.491 31.823 -0.014 0.000 0.638 77 V HN 0.324 nan 8.190 nan 0.000 0.445 78 A N 0.147 122.901 122.820 -0.109 0.000 2.093 78 A HA -0.255 4.065 4.320 0.000 0.000 0.222 78 A C 2.560 180.061 177.584 -0.139 0.000 1.162 78 A CA 2.661 54.643 52.037 -0.092 0.000 0.655 78 A CB -1.091 17.886 19.000 -0.039 0.000 0.805 78 A HN 0.855 nan 8.150 nan 0.000 0.461 79 S N -0.303 115.302 115.700 -0.158 0.000 2.345 79 S HA -0.150 4.320 4.470 0.000 0.000 0.219 79 S C 1.905 176.373 174.600 -0.220 0.000 1.031 79 S CA 1.423 59.535 58.200 -0.148 0.000 0.984 79 S CB -0.343 62.789 63.200 -0.113 0.000 0.874 79 S HN 0.620 nan 8.310 nan 0.000 0.451 80 K N 1.098 121.288 120.400 -0.349 0.000 2.366 80 K HA -0.126 4.194 4.320 0.000 0.000 0.202 80 K C 2.141 178.446 176.600 -0.491 0.000 1.045 80 K CA 1.101 57.096 56.287 -0.486 0.000 0.934 80 K CB -0.368 31.643 32.500 -0.815 0.000 0.746 80 K HN 0.495 nan 8.250 nan 0.000 0.470 81 A N 1.583 124.157 122.820 -0.409 0.000 1.855 81 A HA -0.162 4.158 4.320 0.000 0.000 0.213 81 A C 1.929 179.480 177.584 -0.055 0.000 1.195 81 A CA 1.526 53.499 52.037 -0.106 0.000 0.610 81 A CB -0.553 18.446 19.000 -0.001 0.000 0.837 81 A HN 0.267 nan 8.150 nan 0.000 0.444 82 N N 0.276 118.924 118.700 -0.087 0.000 2.272 82 N HA -0.133 4.607 4.740 0.000 0.000 0.185 82 N C 0.765 176.219 175.510 -0.093 0.000 1.014 82 N CA 1.527 54.529 53.050 -0.080 0.000 0.870 82 N CB -0.124 38.313 38.487 -0.083 0.000 0.975 82 N HN 0.420 nan 8.380 nan 0.000 0.433 83 D N -1.207 119.138 120.400 -0.092 0.000 2.348 83 D HA 0.100 4.740 4.640 0.000 0.000 0.211 83 D C 1.302 177.583 176.300 -0.031 0.000 0.998 83 D CA 0.374 54.329 54.000 -0.075 0.000 0.873 83 D CB 0.187 40.941 40.800 -0.076 0.000 0.925 83 D HN 0.371 nan 8.370 nan 0.000 0.524 84 A N 0.512 123.332 122.820 -0.000 0.000 1.924 84 A HA 0.383 4.703 4.320 0.000 0.000 0.211 84 A C 1.905 179.520 177.584 0.052 0.000 1.198 84 A CA 1.085 53.156 52.037 0.056 0.000 0.657 84 A CB 0.250 19.334 19.000 0.140 0.000 0.852 84 A HN 0.159 nan 8.150 nan 0.000 0.454 85 A N -2.293 120.547 122.820 0.033 0.000 2.508 85 A HA 0.479 4.799 4.320 0.000 0.000 0.250 85 A C 1.402 178.985 177.584 -0.002 0.000 1.208 85 A CA 0.975 53.034 52.037 0.038 0.000 0.960 85 A CB -0.256 18.771 19.000 0.044 0.000 1.099 85 A HN 1.866 nan 8.150 nan 0.000 0.542 86 G N -0.474 108.279 108.800 -0.079 0.000 2.160 86 G HA2 -0.120 3.840 3.960 0.000 0.000 0.244 86 G HA3 -0.120 3.840 3.960 0.000 0.000 0.244 86 G C -0.271 174.572 174.900 -0.096 0.000 1.022 86 G CA 0.776 45.768 45.100 -0.180 0.000 0.741 86 G HN 0.963 nan 8.290 nan 0.000 0.508 87 D N -3.323 117.046 120.400 -0.053 0.000 2.926 87 D HA 0.546 5.186 4.640 0.000 0.000 0.282 87 D C 0.712 177.006 176.300 -0.011 0.000 1.201 87 D CA 1.109 55.090 54.000 -0.031 0.000 0.735 87 D CB -0.276 40.514 40.800 -0.016 0.000 1.257 87 D HN 1.500 nan 8.370 nan 0.000 0.428 88 G N -0.270 108.526 108.800 -0.006 0.000 2.131 88 G HA2 -0.230 3.730 3.960 0.000 0.000 0.201 88 G HA3 -0.230 3.730 3.960 0.000 0.000 0.201 88 G C 0.802 175.705 174.900 0.004 0.000 1.000 88 G CA 0.713 45.818 45.100 0.009 0.000 0.680 88 G HN 0.489 nan 8.290 nan 0.000 0.514 89 T N 0.478 115.024 114.554 -0.014 0.000 2.781 89 T HA -0.022 4.328 4.350 0.000 0.000 0.252 89 T C 2.569 177.262 174.700 -0.012 0.000 1.039 89 T CA 2.080 64.166 62.100 -0.023 0.000 1.147 89 T CB -0.458 68.388 68.868 -0.037 0.000 0.865 89 T HN 0.347 nan 8.240 nan 0.000 0.423 90 T N 2.253 116.800 114.554 -0.011 0.000 2.778 90 T HA -0.138 4.212 4.350 0.000 0.000 0.269 90 T C 2.132 176.832 174.700 0.001 0.000 1.050 90 T CA 1.698 63.795 62.100 -0.006 0.000 1.137 90 T CB -0.673 68.191 68.868 -0.007 0.000 0.860 90 T HN 0.427 nan 8.240 nan 0.000 0.468 91 T N 1.924 116.481 114.554 0.005 0.000 2.732 91 T HA 0.065 4.415 4.350 0.000 0.000 0.261 91 T C 2.502 177.214 174.700 0.020 0.000 1.040 91 T CA 1.020 63.127 62.100 0.013 0.000 1.145 91 T CB -0.650 68.228 68.868 0.016 0.000 0.866 91 T HN 0.433 nan 8.240 nan 0.000 0.427 92 A N 1.607 124.443 122.820 0.027 0.000 1.948 92 A HA -0.171 4.149 4.320 0.000 0.000 0.220 92 A C 2.525 180.126 177.584 0.028 0.000 1.177 92 A CA 2.248 54.310 52.037 0.041 0.000 0.636 92 A CB -1.399 17.635 19.000 0.056 0.000 0.815 92 A HN 0.507 nan 8.150 nan 0.000 0.449 93 T N -0.803 113.760 114.554 0.014 0.000 2.643 93 T HA -0.148 4.202 4.350 0.000 0.000 0.264 93 T C 1.845 176.551 174.700 0.010 0.000 1.045 93 T CA 1.544 63.649 62.100 0.008 0.000 1.155 93 T CB -0.784 68.083 68.868 -0.001 0.000 0.863 93 T HN 0.253 nan 8.240 nan 0.000 0.420 94 V N 1.138 121.057 119.914 0.009 0.000 2.688 94 V HA -0.061 4.059 4.120 0.000 0.000 0.256 94 V C 2.107 178.208 176.094 0.011 0.000 1.084 94 V CA 1.349 63.654 62.300 0.008 0.000 1.103 94 V CB -0.608 31.218 31.823 0.006 0.000 0.688 94 V HN 0.457 nan 8.190 nan 0.000 0.480 95 L N -0.450 120.783 121.223 0.016 0.000 2.095 95 L HA 0.011 4.351 4.340 0.000 0.000 0.204 95 L C 2.730 179.612 176.870 0.019 0.000 1.080 95 L CA 1.423 56.274 54.840 0.018 0.000 0.759 95 L CB -0.696 41.378 42.059 0.025 0.000 0.914 95 L HN 0.421 nan 8.230 nan 0.000 0.439 96 A N -0.566 122.267 122.820 0.022 0.000 1.898 96 A HA -0.281 4.039 4.320 0.000 0.000 0.216 96 A C 2.199 179.793 177.584 0.016 0.000 1.181 96 A CA 1.738 53.788 52.037 0.022 0.000 0.620 96 A CB -0.583 18.432 19.000 0.025 0.000 0.819 96 A HN 0.491 nan 8.150 nan 0.000 0.442 97 Q N -0.374 119.434 119.800 0.012 0.000 2.096 97 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 97 Q C 2.177 178.182 176.000 0.009 0.000 0.982 97 Q CA 1.898 57.707 55.803 0.009 0.000 0.850 97 Q CB -0.366 28.376 28.738 0.007 0.000 0.901 97 Q HN 0.599 nan 8.270 nan 0.000 0.422 98 A N 0.872 123.697 122.820 0.009 0.000 1.877 98 A HA -0.170 4.150 4.320 0.000 0.000 0.216 98 A C 2.021 179.610 177.584 0.008 0.000 1.186 98 A CA 1.471 53.513 52.037 0.008 0.000 0.620 98 A CB -0.708 18.297 19.000 0.008 0.000 0.822 98 A HN 0.491 nan 8.150 nan 0.000 0.443 99 I N -0.248 120.328 120.570 0.011 0.000 2.113 99 I HA -0.277 3.893 4.170 0.000 0.000 0.238 99 I C 2.384 178.507 176.117 0.010 0.000 1.070 99 I CA 1.562 62.868 61.300 0.011 0.000 1.332 99 I CB -0.486 37.522 38.000 0.013 0.000 1.044 99 I HN 0.305 nan 8.210 nan 0.000 0.402 100 I N 0.449 121.025 120.570 0.011 0.000 2.194 100 I HA -0.327 3.843 4.170 0.000 0.000 0.246 100 I C 2.608 178.729 176.117 0.007 0.000 1.093 100 I CA 1.693 62.998 61.300 0.010 0.000 1.355 100 I CB -0.742 37.265 38.000 0.011 0.000 1.046 100 I HN 0.308 nan 8.210 nan 0.000 0.413 101 T N 0.328 114.886 114.554 0.006 0.000 2.595 101 T HA -0.185 4.165 4.350 0.000 0.000 0.264 101 T C 1.822 176.524 174.700 0.004 0.000 1.058 101 T CA 1.459 63.562 62.100 0.004 0.000 1.166 101 T CB -0.222 68.648 68.868 0.004 0.000 0.863 101 T HN 0.290 nan 8.240 nan 0.000 0.415 102 E N 0.640 120.842 120.200 0.004 0.000 2.153 102 E HA -0.040 4.310 4.350 0.000 0.000 0.194 102 E C 2.454 179.056 176.600 0.004 0.000 0.988 102 E CA 1.028 57.430 56.400 0.003 0.000 0.811 102 E CB -0.921 28.781 29.700 0.004 0.000 0.746 102 E HN 0.585 nan 8.360 nan 0.000 0.466 103 G N 1.379 110.182 108.800 0.005 0.000 2.459 103 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 103 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 103 G C 1.716 176.619 174.900 0.005 0.000 1.183 103 G CA 0.670 45.773 45.100 0.005 0.000 0.776 103 G HN 0.215 nan 8.290 nan 0.000 0.552 104 L N -0.115 121.110 121.223 0.004 0.000 2.141 104 L HA -0.030 4.310 4.340 0.000 0.000 0.209 104 L C 2.947 179.818 176.870 0.001 0.000 1.094 104 L CA 1.035 55.877 54.840 0.003 0.000 0.763 104 L CB -0.314 41.746 42.059 0.001 0.000 0.908 104 L HN 0.200 nan 8.230 nan 0.000 0.437 105 K N 0.300 120.701 120.400 0.001 0.000 2.026 105 K HA -0.157 4.163 4.320 0.000 0.000 0.208 105 K C 2.306 178.907 176.600 0.001 0.000 1.048 105 K CA 1.420 57.707 56.287 0.001 0.000 0.929 105 K CB -0.295 32.206 32.500 0.001 0.000 0.713 105 K HN 0.265 nan 8.250 nan 0.000 0.439 106 A N 1.103 123.924 122.820 0.002 0.000 1.892 106 A HA -0.177 4.144 4.320 0.000 0.000 0.218 106 A C 2.386 179.971 177.584 0.002 0.000 1.188 106 A CA 1.863 53.901 52.037 0.002 0.000 0.631 106 A CB -0.850 18.152 19.000 0.003 0.000 0.822 106 A HN 0.094 nan 8.150 nan 0.000 0.447 107 V N -0.249 119.667 119.914 0.003 0.000 2.237 107 V HA -0.242 3.878 4.120 0.000 0.000 0.245 107 V C 3.061 179.157 176.094 0.002 0.000 1.046 107 V CA 2.052 64.355 62.300 0.004 0.000 1.007 107 V CB -1.436 30.390 31.823 0.005 0.000 0.638 107 V HN 0.625 nan 8.190 nan 0.000 0.445 108 A N 0.132 122.952 122.820 0.001 0.000 1.978 108 A HA -0.103 4.217 4.320 0.000 0.000 0.220 108 A C 2.253 179.837 177.584 -0.000 0.000 1.170 108 A CA 1.889 53.926 52.037 0.000 0.000 0.636 108 A CB -0.745 18.254 19.000 -0.001 0.000 0.810 108 A HN 0.647 nan 8.150 nan 0.000 0.448 109 A N -1.992 120.829 122.820 0.000 0.000 2.248 109 A HA 0.358 4.678 4.320 0.000 0.000 0.210 109 A C 1.897 179.481 177.584 0.000 0.000 1.174 109 A CA 1.403 53.440 52.037 0.000 0.000 0.750 109 A CB -0.940 18.060 19.000 0.000 0.000 0.780 109 A HN 1.874 nan 8.150 nan 0.000 0.478 110 G N -2.167 106.634 108.800 0.001 0.000 2.232 110 G HA2 -0.239 3.721 3.960 0.000 0.000 0.226 110 G HA3 -0.239 3.721 3.960 0.000 0.000 0.226 110 G C 0.340 175.241 174.900 0.001 0.000 0.996 110 G CA 0.137 45.238 45.100 0.001 0.000 0.626 110 G HN 0.377 nan 8.290 nan 0.000 0.509 111 M N 0.992 120.593 119.600 0.002 0.000 2.207 111 M HA 0.197 4.677 4.480 0.000 0.000 0.311 111 M C 0.854 177.156 176.300 0.003 0.000 1.127 111 M CA -0.199 55.103 55.300 0.002 0.000 1.181 111 M CB 0.193 32.795 32.600 0.002 0.000 1.409 111 M HN 0.290 nan 8.290 nan 0.000 0.461 112 N N 1.655 120.357 118.700 0.004 0.000 2.497 112 N HA 0.128 4.868 4.740 0.000 0.000 0.271 112 N C -2.311 173.203 175.510 0.006 0.000 1.142 112 N CA -1.324 51.729 53.050 0.005 0.000 0.965 112 N CB 1.367 39.856 38.487 0.004 0.000 1.077 112 N HN 0.231 nan 8.380 nan 0.000 0.462 113 P HA -0.019 nan 4.420 nan 0.000 0.212 113 P C 1.736 179.041 177.300 0.008 0.000 1.180 113 P CA 1.065 64.170 63.100 0.009 0.000 0.902 113 P CB 0.139 31.846 31.700 0.011 0.000 0.778 114 M N -0.344 119.262 119.600 0.009 0.000 2.413 114 M HA -0.196 4.284 4.480 0.000 0.000 0.258 114 M C 1.106 177.410 176.300 0.006 0.000 1.081 114 M CA 1.603 56.908 55.300 0.008 0.000 1.047 114 M CB -1.503 31.102 32.600 0.008 0.000 1.390 114 M HN 0.056 nan 8.290 nan 0.000 0.438 115 D N -0.489 119.915 120.400 0.005 0.000 2.269 115 D HA 0.074 4.714 4.640 0.000 0.000 0.220 115 D C 2.212 178.514 176.300 0.004 0.000 0.962 115 D CA 0.493 54.496 54.000 0.004 0.000 0.884 115 D CB 0.025 40.827 40.800 0.004 0.000 1.023 115 D HN 0.301 nan 8.370 nan 0.000 0.484 116 L N 1.340 122.566 121.223 0.005 0.000 2.089 116 L HA -0.236 4.104 4.340 0.000 0.000 0.213 116 L C 2.560 179.432 176.870 0.005 0.000 1.079 116 L CA 1.323 56.166 54.840 0.005 0.000 0.758 116 L CB -0.356 41.706 42.059 0.005 0.000 0.891 116 L HN 0.029 nan 8.230 nan 0.000 0.433 117 K N 0.434 120.837 120.400 0.005 0.000 2.002 117 K HA -0.238 4.082 4.320 0.000 0.000 0.209 117 K C 2.326 178.928 176.600 0.003 0.000 1.048 117 K CA 1.546 57.836 56.287 0.005 0.000 0.930 117 K CB -0.086 32.418 32.500 0.007 0.000 0.714 117 K HN 0.088 nan 8.250 nan 0.000 0.438 118 R N -0.249 120.253 120.500 0.003 0.000 2.120 118 R HA -0.096 4.244 4.340 0.000 0.000 0.234 118 R C 2.259 178.559 176.300 0.000 0.000 1.123 118 R CA 1.575 57.675 56.100 0.001 0.000 0.975 118 R CB -0.459 29.841 30.300 0.001 0.000 0.866 118 R HN 0.441 nan 8.270 nan 0.000 0.446 119 G N 0.324 109.125 108.800 0.001 0.000 2.422 119 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 119 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 119 G C 1.377 176.277 174.900 0.001 0.000 1.140 119 G CA 0.592 45.693 45.100 0.001 0.000 0.775 119 G HN 0.247 nan 8.290 nan 0.000 0.545 120 I N 0.686 121.257 120.570 0.001 0.000 2.277 120 I HA -0.064 4.106 4.170 0.000 0.000 0.243 120 I C 2.077 178.192 176.117 -0.002 0.000 1.094 120 I CA 0.861 62.162 61.300 0.001 0.000 1.393 120 I CB -0.137 37.865 38.000 0.003 0.000 1.078 120 I HN 0.019 nan 8.210 nan 0.000 0.417 121 D N 0.979 121.377 120.400 -0.003 0.000 2.221 121 D HA -0.214 4.426 4.640 0.000 0.000 0.204 121 D C 2.002 178.297 176.300 -0.009 0.000 0.982 121 D CA 1.185 55.180 54.000 -0.008 0.000 0.857 121 D CB -0.073 40.722 40.800 -0.008 0.000 0.934 121 D HN 0.317 nan 8.370 nan 0.000 0.475 122 K N 0.735 121.132 120.400 -0.005 0.000 2.007 122 K HA 0.004 4.324 4.320 0.000 0.000 0.206 122 K C 2.010 178.607 176.600 -0.004 0.000 1.047 122 K CA 1.039 57.323 56.287 -0.005 0.000 0.937 122 K CB -0.046 32.453 32.500 -0.003 0.000 0.718 122 K HN -0.038 nan 8.250 nan 0.000 0.438 123 A N 0.513 123.331 122.820 -0.003 0.000 2.131 123 A HA -0.089 4.231 4.320 0.000 0.000 0.220 123 A C 1.970 179.552 177.584 -0.003 0.000 1.158 123 A CA 1.451 53.488 52.037 -0.001 0.000 0.665 123 A CB -0.305 18.695 19.000 0.001 0.000 0.795 123 A HN 0.211 nan 8.150 nan 0.000 0.460 124 V N -2.027 117.883 119.914 -0.007 0.000 2.521 124 V HA -0.104 4.016 4.120 0.000 0.000 0.239 124 V C 2.539 178.624 176.094 -0.015 0.000 1.053 124 V CA 1.875 64.168 62.300 -0.011 0.000 1.073 124 V CB -0.892 30.921 31.823 -0.017 0.000 0.746 124 V HN 0.492 nan 8.190 nan 0.000 0.476 125 T N 0.838 115.382 114.554 -0.016 0.000 2.680 125 T HA -0.303 4.047 4.350 0.000 0.000 0.268 125 T C 1.903 176.596 174.700 -0.012 0.000 1.033 125 T CA 2.143 64.233 62.100 -0.017 0.000 1.152 125 T CB -0.358 68.502 68.868 -0.014 0.000 0.859 125 T HN 0.566 nan 8.240 nan 0.000 0.452 126 A N 1.308 124.123 122.820 -0.008 0.000 1.825 126 A HA 0.261 4.581 4.320 0.000 0.000 0.214 126 A C 2.707 180.290 177.584 -0.003 0.000 1.206 126 A CA 1.884 53.919 52.037 -0.004 0.000 0.609 126 A CB -1.479 17.520 19.000 -0.001 0.000 0.851 126 A HN 0.508 nan 8.150 nan 0.000 0.445 127 A N -0.582 122.237 122.820 -0.002 0.000 1.929 127 A HA -0.205 4.115 4.320 0.000 0.000 0.221 127 A C 2.245 179.828 177.584 -0.001 0.000 1.211 127 A CA 2.439 54.476 52.037 0.001 0.000 0.657 127 A CB -1.372 17.629 19.000 0.001 0.000 0.827 127 A HN 0.574 nan 8.150 nan 0.000 0.462 128 V N -0.010 119.900 119.914 -0.007 0.000 2.324 128 V HA -0.262 3.858 4.120 0.000 0.000 0.250 128 V C 2.647 178.738 176.094 -0.005 0.000 1.060 128 V CA 2.355 64.650 62.300 -0.009 0.000 1.042 128 V CB -0.673 31.138 31.823 -0.019 0.000 0.650 128 V HN 0.576 nan 8.190 nan 0.000 0.450 129 E N -0.150 120.048 120.200 -0.004 0.000 2.028 129 E HA -0.190 4.160 4.350 0.000 0.000 0.190 129 E C 2.122 178.724 176.600 0.003 0.000 0.984 129 E CA 0.922 57.322 56.400 -0.001 0.000 0.800 129 E CB -0.345 29.355 29.700 -0.001 0.000 0.758 129 E HN 0.542 nan 8.360 nan 0.000 0.448 130 E N 0.352 120.554 120.200 0.004 0.000 2.533 130 E HA -0.083 4.267 4.350 0.000 0.000 0.201 130 E C 1.382 177.988 176.600 0.011 0.000 1.097 130 E CA 0.054 56.459 56.400 0.008 0.000 0.887 130 E CB -0.062 29.644 29.700 0.009 0.000 0.855 130 E HN 0.032 nan 8.360 nan 0.000 0.540 131 L N -0.614 120.615 121.223 0.009 0.000 2.537 131 L HA 0.188 4.528 4.340 0.000 0.000 0.224 131 L C 1.373 178.249 176.870 0.011 0.000 1.065 131 L CA 0.795 55.641 54.840 0.011 0.000 0.860 131 L CB 0.231 42.295 42.059 0.008 0.000 1.086 131 L HN -0.128 nan 8.230 nan 0.000 0.482 132 K N -0.440 119.964 120.400 0.008 0.000 2.365 132 K HA 0.087 4.407 4.320 0.000 0.000 0.199 132 K C 1.873 178.479 176.600 0.010 0.000 1.045 132 K CA 0.865 57.157 56.287 0.008 0.000 0.962 132 K CB -0.017 32.486 32.500 0.005 0.000 0.759 132 K HN 0.370 nan 8.250 nan 0.000 0.469 133 A N 1.049 123.875 122.820 0.011 0.000 1.975 133 A HA -0.005 4.315 4.320 0.000 0.000 0.215 133 A C 1.933 179.526 177.584 0.015 0.000 1.170 133 A CA 0.630 52.674 52.037 0.012 0.000 0.656 133 A CB -0.245 18.762 19.000 0.011 0.000 0.821 133 A HN 0.213 nan 8.150 nan 0.000 0.449 134 L N -0.170 121.063 121.223 0.017 0.000 2.313 134 L HA 0.027 4.367 4.340 0.000 0.000 0.214 134 L C 1.430 178.312 176.870 0.021 0.000 1.119 134 L CA 0.320 55.173 54.840 0.022 0.000 0.809 134 L CB -0.081 41.993 42.059 0.025 0.000 0.933 134 L HN 0.416 nan 8.230 nan 0.000 0.449 135 S N -0.481 115.229 115.700 0.017 0.000 2.558 135 S HA 0.015 4.485 4.470 0.000 0.000 0.287 135 S C -0.049 174.561 174.600 0.016 0.000 1.321 135 S CA -0.349 57.861 58.200 0.016 0.000 1.048 135 S CB 0.773 63.981 63.200 0.014 0.000 0.844 135 S HN 0.044 nan 8.310 nan 0.000 0.512 136 V N 7.805 127.729 119.914 0.016 0.000 2.276 136 V HA 0.317 4.437 4.120 0.000 0.000 0.268 136 V C -2.061 174.041 176.094 0.013 0.000 1.032 136 V CA -1.557 60.752 62.300 0.015 0.000 0.810 136 V CB 0.350 32.184 31.823 0.017 0.000 1.060 136 V HN 0.806 nan 8.190 nan 0.000 0.446 137 P HA 0.011 nan 4.420 nan 0.000 0.269 137 P C -0.390 176.916 177.300 0.010 0.000 1.185 137 P CA 0.255 63.361 63.100 0.011 0.000 0.769 137 P CB 0.183 31.889 31.700 0.010 0.000 0.809 138 C N -0.241 119.064 119.300 0.009 0.000 2.887 138 C HA 0.550 5.010 4.460 0.000 0.000 0.379 138 C C 0.689 175.683 174.990 0.007 0.000 1.064 138 C CA -0.252 58.771 59.018 0.008 0.000 1.282 138 C CB 0.299 28.044 27.740 0.008 0.000 1.749 138 C HN 0.463 nan 8.230 nan 0.000 0.489 139 S N 1.017 116.720 115.700 0.006 0.000 2.575 139 S HA 0.135 4.605 4.470 0.000 0.000 0.230 139 S C 0.343 174.945 174.600 0.003 0.000 1.062 139 S CA 0.241 58.444 58.200 0.005 0.000 0.913 139 S CB 0.011 63.214 63.200 0.005 0.000 0.837 139 S HN 0.982 nan 8.310 nan 0.000 0.487 140 D N 2.347 122.749 120.400 0.003 0.000 2.389 140 D HA 0.070 4.710 4.640 0.000 0.000 0.247 140 D C 0.749 177.049 176.300 0.002 0.000 1.128 140 D CA 0.025 54.026 54.000 0.002 0.000 0.884 140 D CB 1.062 41.864 40.800 0.003 0.000 1.194 140 D HN 0.163 nan 8.370 nan 0.000 0.441 141 S N 1.204 116.905 115.700 0.000 0.000 2.626 141 S HA -0.184 4.286 4.470 0.000 0.000 0.245 141 S C 1.299 175.899 174.600 -0.000 0.000 0.973 141 S CA 0.244 58.444 58.200 -0.001 0.000 0.959 141 S CB -0.177 63.022 63.200 -0.002 0.000 0.762 141 S HN 0.487 nan 8.310 nan 0.000 0.539 142 K N 1.189 121.590 120.400 0.001 0.000 2.262 142 K HA 0.296 4.616 4.320 0.000 0.000 0.200 142 K C 1.839 178.440 176.600 0.002 0.000 1.049 142 K CA 0.976 57.264 56.287 0.001 0.000 0.979 142 K CB -0.308 32.194 32.500 0.002 0.000 0.773 142 K HN 0.444 nan 8.250 nan 0.000 0.474 143 A N 0.927 123.748 122.820 0.003 0.000 1.924 143 A HA 0.132 4.452 4.320 0.000 0.000 0.211 143 A C 2.070 179.656 177.584 0.003 0.000 1.198 143 A CA 0.182 52.221 52.037 0.003 0.000 0.657 143 A CB -0.323 18.680 19.000 0.005 0.000 0.852 143 A HN 0.197 nan 8.150 nan 0.000 0.454 144 I N 0.380 120.951 120.570 0.002 0.000 2.300 144 I HA -0.365 3.805 4.170 0.000 0.000 0.252 144 I C 2.713 178.830 176.117 -0.000 0.000 1.119 144 I CA 1.290 62.590 61.300 0.001 0.000 1.384 144 I CB -0.185 37.814 38.000 -0.001 0.000 1.062 144 I HN 0.394 nan 8.210 nan 0.000 0.426 145 A N -0.412 122.408 122.820 -0.000 0.000 1.975 145 A HA -0.170 4.150 4.320 0.000 0.000 0.215 145 A C 2.248 179.832 177.584 0.000 0.000 1.170 145 A CA 0.932 52.968 52.037 -0.001 0.000 0.656 145 A CB -0.312 18.687 19.000 -0.001 0.000 0.821 145 A HN 0.474 nan 8.150 nan 0.000 0.449 146 Q N -0.471 119.330 119.800 0.001 0.000 2.398 146 Q HA 0.041 4.381 4.340 0.000 0.000 0.204 146 Q C 1.448 177.449 176.000 0.002 0.000 0.932 146 Q CA 0.871 56.675 55.803 0.002 0.000 0.916 146 Q CB 0.081 28.820 28.738 0.002 0.000 1.024 146 Q HN 0.372 nan 8.270 nan 0.000 0.504 147 V N -0.304 119.612 119.914 0.004 0.000 2.346 147 V HA -0.071 4.049 4.120 0.000 0.000 0.244 147 V C 2.201 178.299 176.094 0.006 0.000 1.037 147 V CA 1.764 64.067 62.300 0.005 0.000 1.029 147 V CB -0.802 31.025 31.823 0.007 0.000 0.663 147 V HN 0.574 nan 8.190 nan 0.000 0.454 148 G N -0.208 108.595 108.800 0.005 0.000 2.440 148 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 148 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 148 G C 1.684 176.587 174.900 0.004 0.000 1.154 148 G CA 1.672 46.775 45.100 0.005 0.000 0.767 148 G HN 0.456 nan 8.290 nan 0.000 0.552 149 T N 1.461 116.016 114.554 0.002 0.000 2.622 149 T HA -0.088 4.262 4.350 0.000 0.000 0.266 149 T C 2.375 177.075 174.700 -0.000 0.000 1.047 149 T CA 1.174 63.274 62.100 0.000 0.000 1.159 149 T CB -0.234 68.634 68.868 -0.001 0.000 0.863 149 T HN 0.246 nan 8.240 nan 0.000 0.422 150 I N 1.157 121.727 120.570 -0.000 0.000 2.335 150 I HA -0.111 4.059 4.170 0.000 0.000 0.251 150 I C 1.670 177.786 176.117 -0.001 0.000 1.129 150 I CA 0.884 62.182 61.300 -0.002 0.000 1.402 150 I CB -0.273 37.726 38.000 -0.003 0.000 1.069 150 I HN 0.106 nan 8.210 nan 0.000 0.424 151 S N 0.793 116.495 115.700 0.004 0.000 2.768 151 S HA 0.403 4.873 4.470 0.000 0.000 0.246 151 S C 0.691 175.295 174.600 0.008 0.000 1.006 151 S CA 0.318 58.522 58.200 0.007 0.000 1.075 151 S CB 0.001 63.209 63.200 0.014 0.000 0.786 151 S HN 0.468 nan 8.310 nan 0.000 0.468 152 A N 1.356 124.178 122.820 0.003 0.000 3.066 152 A HA 0.466 4.786 4.320 0.000 0.000 0.194 152 A C 0.267 177.851 177.584 -0.001 0.000 0.972 152 A CA -0.770 51.269 52.037 0.003 0.000 1.183 152 A CB -0.489 18.513 19.000 0.004 0.000 1.269 152 A HN 0.291 nan 8.150 nan 0.000 0.567 153 N N 0.463 119.161 118.700 -0.003 0.000 2.721 153 N HA -0.184 4.556 4.740 0.000 0.000 0.249 153 N C 0.144 175.650 175.510 -0.006 0.000 1.072 153 N CA 1.320 54.367 53.050 -0.006 0.000 0.710 153 N CB -1.570 36.914 38.487 -0.006 0.000 0.993 153 N HN 0.910 nan 8.380 nan 0.000 0.547 154 S N -1.218 114.478 115.700 -0.006 0.000 3.766 154 S HA -0.203 4.267 4.470 0.000 0.000 0.416 154 S C -0.534 174.063 174.600 -0.004 0.000 0.902 154 S CA 0.752 58.949 58.200 -0.005 0.000 1.283 154 S CB -0.582 62.613 63.200 -0.008 0.000 0.891 154 S HN 0.571 nan 8.310 nan 0.000 0.556 155 D N 0.677 121.075 120.400 -0.003 0.000 2.462 155 D HA 0.383 5.023 4.640 0.000 0.000 0.249 155 D C 0.945 177.244 176.300 -0.002 0.000 1.117 155 D CA -0.611 53.387 54.000 -0.002 0.000 0.900 155 D CB 0.722 41.521 40.800 -0.002 0.000 1.039 155 D HN 0.282 nan 8.370 nan 0.000 0.516 156 E N 0.528 120.727 120.200 -0.002 0.000 2.284 156 E HA -0.170 4.180 4.350 0.000 0.000 0.200 156 E C 1.626 178.225 176.600 -0.002 0.000 1.008 156 E CA 1.438 57.836 56.400 -0.002 0.000 0.829 156 E CB 0.101 29.800 29.700 -0.002 0.000 0.744 156 E HN 0.406 nan 8.360 nan 0.000 0.491 157 T N -0.227 114.326 114.554 -0.002 0.000 2.821 157 T HA -0.103 4.247 4.350 0.000 0.000 0.267 157 T C 1.930 176.628 174.700 -0.003 0.000 1.046 157 T CA 1.053 63.152 62.100 -0.002 0.000 1.139 157 T CB -0.183 68.684 68.868 -0.002 0.000 0.871 157 T HN -0.003 nan 8.240 nan 0.000 0.454 158 V N 1.496 121.409 119.914 -0.002 0.000 2.223 158 V HA -0.120 4.000 4.120 0.000 0.000 0.244 158 V C 2.905 178.997 176.094 -0.003 0.000 1.045 158 V CA 2.149 64.448 62.300 -0.002 0.000 1.000 158 V CB -1.457 30.366 31.823 0.000 0.000 0.635 158 V HN 0.566 nan 8.190 nan 0.000 0.445 159 G N -0.435 108.364 108.800 -0.002 0.000 2.476 159 G HA2 -0.374 3.586 3.960 0.000 0.000 0.218 159 G HA3 -0.374 3.586 3.960 0.000 0.000 0.218 159 G C 1.649 176.547 174.900 -0.003 0.000 1.164 159 G CA 1.353 46.452 45.100 -0.002 0.000 0.768 159 G HN 0.517 nan 8.290 nan 0.000 0.560 160 K N -0.081 120.318 120.400 -0.003 0.000 2.032 160 K HA 0.029 4.349 4.320 0.000 0.000 0.209 160 K C 2.469 179.066 176.600 -0.005 0.000 1.048 160 K CA 1.083 57.368 56.287 -0.003 0.000 0.927 160 K CB -0.297 32.202 32.500 -0.003 0.000 0.712 160 K HN 0.359 nan 8.250 nan 0.000 0.441 161 L N 1.021 122.241 121.223 -0.005 0.000 2.017 161 L HA -0.180 4.160 4.340 0.000 0.000 0.208 161 L C 2.346 179.211 176.870 -0.009 0.000 1.073 161 L CA 1.168 56.004 54.840 -0.007 0.000 0.745 161 L CB -0.188 41.867 42.059 -0.007 0.000 0.894 161 L HN 0.287 nan 8.230 nan 0.000 0.432 162 I N -0.425 120.139 120.570 -0.010 0.000 2.127 162 I HA -0.347 3.823 4.170 0.000 0.000 0.241 162 I C 2.770 178.880 176.117 -0.012 0.000 1.075 162 I CA 1.319 62.611 61.300 -0.013 0.000 1.334 162 I CB -0.580 37.413 38.000 -0.012 0.000 1.040 162 I HN 0.308 nan 8.210 nan 0.000 0.405 163 A N 0.607 123.422 122.820 -0.009 0.000 1.873 163 A HA -0.266 4.054 4.320 0.000 0.000 0.218 163 A C 2.133 179.712 177.584 -0.008 0.000 1.193 163 A CA 1.976 54.009 52.037 -0.007 0.000 0.629 163 A CB -0.830 18.167 19.000 -0.005 0.000 0.826 163 A HN 0.506 nan 8.150 nan 0.000 0.447 164 E N -0.475 119.720 120.200 -0.007 0.000 2.396 164 E HA -0.067 4.283 4.350 0.000 0.000 0.200 164 E C 1.935 178.530 176.600 -0.009 0.000 1.023 164 E CA 0.599 56.995 56.400 -0.007 0.000 0.857 164 E CB -0.212 29.484 29.700 -0.006 0.000 0.775 164 E HN 0.668 nan 8.360 nan 0.000 0.525 165 A N 0.810 123.623 122.820 -0.011 0.000 1.887 165 A HA 0.041 4.361 4.320 0.000 0.000 0.210 165 A C 2.021 179.597 177.584 -0.014 0.000 1.221 165 A CA 0.151 52.180 52.037 -0.014 0.000 0.635 165 A CB -0.116 18.873 19.000 -0.018 0.000 0.881 165 A HN 0.071 nan 8.150 nan 0.000 0.456 166 M N 0.068 119.659 119.600 -0.015 0.000 2.530 166 M HA -0.151 4.329 4.480 0.000 0.000 0.261 166 M C 1.424 177.718 176.300 -0.010 0.000 1.067 166 M CA 1.609 56.901 55.300 -0.014 0.000 1.071 166 M CB -0.468 32.124 32.600 -0.013 0.000 1.405 166 M HN 0.551 nan 8.290 nan 0.000 0.478 167 D N 0.717 121.112 120.400 -0.009 0.000 2.146 167 D HA -0.068 4.572 4.640 0.000 0.000 0.209 167 D C 1.657 177.953 176.300 -0.007 0.000 0.973 167 D CA 1.150 55.146 54.000 -0.007 0.000 0.860 167 D CB 0.190 40.986 40.800 -0.006 0.000 1.015 167 D HN 0.138 nan 8.370 nan 0.000 0.465 168 K N -0.395 120.000 120.400 -0.008 0.000 2.360 168 K HA -0.043 4.277 4.320 0.000 0.000 0.201 168 K C 1.304 177.899 176.600 -0.008 0.000 1.046 168 K CA 0.764 57.047 56.287 -0.007 0.000 0.945 168 K CB 0.484 32.979 32.500 -0.008 0.000 0.750 168 K HN 0.191 nan 8.250 nan 0.000 0.464 169 V N -1.208 118.701 119.914 -0.009 0.000 3.473 169 V HA 0.218 4.338 4.120 0.000 0.000 0.253 169 V C 0.569 176.658 176.094 -0.008 0.000 1.340 169 V CA 0.091 62.386 62.300 -0.009 0.000 1.103 169 V CB 0.639 32.455 31.823 -0.012 0.000 0.881 169 V HN 0.402 nan 8.190 nan 0.000 0.451 170 G N 1.437 110.232 108.800 -0.008 0.000 2.719 170 G HA2 -0.166 3.794 3.960 0.000 0.000 0.686 170 G HA3 -0.166 3.794 3.960 0.000 0.000 0.686 170 G C 0.093 174.988 174.900 -0.008 0.000 1.201 170 G CA -0.041 45.055 45.100 -0.007 0.000 0.768 170 G HN 0.243 nan 8.290 nan 0.000 0.629 171 K N 0.162 120.558 120.400 -0.006 0.000 2.304 171 K HA -0.162 4.158 4.320 0.000 0.000 0.204 171 K C 1.458 178.054 176.600 -0.006 0.000 1.044 171 K CA 1.811 58.095 56.287 -0.006 0.000 0.932 171 K CB 0.052 32.551 32.500 -0.002 0.000 0.735 171 K HN 0.512 nan 8.250 nan 0.000 0.468 172 E N 0.225 120.422 120.200 -0.005 0.000 2.476 172 E HA 0.088 4.438 4.350 0.000 0.000 0.196 172 E C 0.796 177.392 176.600 -0.005 0.000 1.029 172 E CA 0.026 56.424 56.400 -0.003 0.000 0.896 172 E CB 0.791 30.492 29.700 0.001 0.000 1.012 172 E HN 0.314 nan 8.360 nan 0.000 0.475 173 G N 0.893 109.687 108.800 -0.010 0.000 2.525 173 G HA2 0.401 4.361 3.960 0.000 0.000 0.287 173 G HA3 0.401 4.361 3.960 0.000 0.000 0.287 173 G C 0.053 174.942 174.900 -0.019 0.000 1.350 173 G CA -0.423 44.670 45.100 -0.011 0.000 1.039 173 G HN 0.013 nan 8.290 nan 0.000 0.513 174 V N -1.790 118.112 119.914 -0.020 0.000 2.547 174 V HA 0.749 4.869 4.120 0.000 0.000 0.299 174 V C -0.278 175.794 176.094 -0.036 0.000 1.040 174 V CA -0.902 61.380 62.300 -0.030 0.000 0.913 174 V CB 1.280 33.089 31.823 -0.024 0.000 0.992 174 V HN 0.530 nan 8.190 nan 0.000 0.449 175 I N 2.755 123.295 120.570 -0.052 0.000 2.534 175 I HA 0.516 4.686 4.170 0.000 0.000 0.288 175 I C -0.177 175.905 176.117 -0.058 0.000 1.077 175 I CA -0.158 61.110 61.300 -0.052 0.000 1.051 175 I CB 2.531 40.495 38.000 -0.059 0.000 1.234 175 I HN 0.715 nan 8.210 nan 0.000 0.425 176 T N 5.032 119.560 114.554 -0.042 0.000 2.918 176 T HA 0.621 4.971 4.350 0.000 0.000 0.286 176 T C -0.460 174.222 174.700 -0.029 0.000 1.026 176 T CA -0.587 61.492 62.100 -0.036 0.000 1.031 176 T CB 2.402 71.254 68.868 -0.027 0.000 1.046 176 T HN 0.207 nan 8.240 nan 0.000 0.479 177 V N 2.733 122.633 119.914 -0.023 0.000 2.443 177 V HA 0.449 4.569 4.120 0.000 0.000 0.293 177 V C -0.166 175.923 176.094 -0.008 0.000 1.021 177 V CA -0.766 61.525 62.300 -0.015 0.000 0.848 177 V CB 1.385 33.201 31.823 -0.012 0.000 0.998 177 V HN 0.868 nan 8.190 nan 0.000 0.424 178 E N 2.056 122.251 120.200 -0.008 0.000 2.396 178 E HA 0.463 4.813 4.350 0.000 0.000 0.251 178 E C -1.191 175.407 176.600 -0.004 0.000 0.949 178 E CA -1.069 55.328 56.400 -0.006 0.000 0.834 178 E CB 1.478 31.173 29.700 -0.008 0.000 1.309 178 E HN 0.596 nan 8.360 nan 0.000 0.405 179 D N 0.587 120.985 120.400 -0.003 0.000 2.302 179 D HA 0.207 4.847 4.640 0.000 0.000 0.248 179 D C -0.098 176.199 176.300 -0.004 0.000 1.094 179 D CA 0.059 54.058 54.000 -0.003 0.000 0.897 179 D CB 1.361 42.160 40.800 -0.002 0.000 1.200 179 D HN 0.436 nan 8.370 nan 0.000 0.429 180 G N -0.040 108.758 108.800 -0.003 0.000 2.507 180 G HA2 0.301 4.261 3.960 0.000 0.000 0.271 180 G HA3 0.301 4.261 3.960 0.000 0.000 0.271 180 G C 0.344 175.242 174.900 -0.004 0.000 1.189 180 G CA -0.537 44.561 45.100 -0.004 0.000 0.859 180 G HN 0.403 nan 8.290 nan 0.000 0.542 181 T N -1.064 113.487 114.554 -0.004 0.000 3.540 181 T HA 0.574 4.924 4.350 0.000 0.000 0.269 181 T C 0.977 175.675 174.700 -0.004 0.000 1.481 181 T CA 0.296 62.394 62.100 -0.004 0.000 1.224 181 T CB -0.227 68.638 68.868 -0.005 0.000 1.192 181 T HN 2.009 nan 8.240 nan 0.000 0.756 182 G N 1.770 110.568 108.800 -0.003 0.000 2.378 182 G HA2 -0.011 3.949 3.960 0.000 0.000 0.198 182 G HA3 -0.011 3.949 3.960 0.000 0.000 0.198 182 G C -1.126 173.772 174.900 -0.003 0.000 1.223 182 G CA -0.598 44.500 45.100 -0.003 0.000 1.088 182 G HN 0.615 nan 8.290 nan 0.000 0.530 183 L N 1.118 122.340 121.223 -0.002 0.000 2.439 183 L HA 0.689 5.029 4.340 0.000 0.000 0.261 183 L C 0.646 177.514 176.870 -0.003 0.000 1.153 183 L CA 0.592 55.430 54.840 -0.002 0.000 0.808 183 L CB 0.533 42.591 42.059 -0.002 0.000 1.126 183 L HN 1.089 nan 8.230 nan 0.000 0.460 184 Q N 2.112 121.911 119.800 -0.003 0.000 3.149 184 Q HA -0.108 4.232 4.340 0.000 0.000 0.055 184 Q C -1.323 174.675 176.000 -0.004 0.000 1.662 184 Q CA 0.354 56.155 55.803 -0.003 0.000 0.281 184 Q CB -0.228 28.508 28.738 -0.003 0.000 0.584 184 Q HN 0.654 nan 8.270 nan 0.000 0.322 185 D N 3.511 123.909 120.400 -0.004 0.000 2.304 185 D HA 0.201 4.841 4.640 0.000 0.000 0.250 185 D C -0.020 176.277 176.300 -0.005 0.000 1.107 185 D CA 0.106 54.103 54.000 -0.005 0.000 0.885 185 D CB 0.902 41.699 40.800 -0.005 0.000 1.192 185 D HN 0.289 nan 8.370 nan 0.000 0.436 186 E N 0.425 120.621 120.200 -0.006 0.000 2.221 186 E HA 0.519 4.869 4.350 0.000 0.000 0.268 186 E C -0.822 175.774 176.600 -0.008 0.000 0.933 186 E CA -1.019 55.377 56.400 -0.006 0.000 0.809 186 E CB 2.288 31.984 29.700 -0.006 0.000 1.190 186 E HN 0.090 nan 8.360 nan 0.000 0.406 187 L N 2.583 123.802 121.223 -0.008 0.000 2.563 187 L HA 0.372 4.712 4.340 0.000 0.000 0.259 187 L C -1.714 175.151 176.870 -0.009 0.000 1.034 187 L CA -0.225 54.609 54.840 -0.009 0.000 0.899 187 L CB 0.884 42.937 42.059 -0.009 0.000 1.159 187 L HN 0.418 nan 8.230 nan 0.000 0.456 188 D N 2.532 122.927 120.400 -0.009 0.000 2.449 188 D HA 0.672 5.312 4.640 0.000 0.000 0.250 188 D C -0.878 175.417 176.300 -0.009 0.000 1.050 188 D CA -0.357 53.638 54.000 -0.008 0.000 1.024 188 D CB 2.810 43.605 40.800 -0.008 0.000 1.218 188 D HN 0.234 nan 8.370 nan 0.000 0.566 189 V N 0.885 120.794 119.914 -0.008 0.000 2.531 189 V HA 0.428 4.548 4.120 0.000 0.000 0.301 189 V C 0.093 176.182 176.094 -0.007 0.000 1.034 189 V CA -0.716 61.579 62.300 -0.008 0.000 0.865 189 V CB 1.737 33.556 31.823 -0.007 0.000 0.995 189 V HN 0.475 nan 8.190 nan 0.000 0.424 190 V N 0.816 120.726 119.914 -0.007 0.000 3.126 190 V HA 0.705 4.825 4.120 0.000 0.000 0.314 190 V C -0.296 175.796 176.094 -0.003 0.000 1.138 190 V CA -1.073 61.223 62.300 -0.005 0.000 1.034 190 V CB 2.070 33.889 31.823 -0.007 0.000 1.075 190 V HN 0.696 nan 8.190 nan 0.000 0.442 191 E N 1.435 121.635 120.200 -0.001 0.000 2.417 191 E HA 0.546 4.896 4.350 0.000 0.000 0.261 191 E C 0.302 176.906 176.600 0.007 0.000 1.000 191 E CA 1.065 57.467 56.400 0.003 0.000 0.919 191 E CB 0.694 30.396 29.700 0.003 0.000 0.955 191 E HN 1.284 nan 8.360 nan 0.000 0.455 192 G N 1.439 110.246 108.800 0.012 0.000 2.328 192 G HA2 0.448 4.408 3.960 0.000 0.000 0.295 192 G HA3 0.448 4.408 3.960 0.000 0.000 0.295 192 G C -0.878 174.040 174.900 0.030 0.000 1.413 192 G CA -0.371 44.741 45.100 0.021 0.000 0.817 192 G HN 0.430 nan 8.290 nan 0.000 0.546 193 M N -1.381 118.249 119.600 0.049 0.000 3.213 193 M HA 0.870 5.350 4.480 0.000 0.000 0.278 193 M C -1.593 174.748 176.300 0.069 0.000 1.332 193 M CA -0.975 54.365 55.300 0.066 0.000 0.810 193 M CB 2.331 34.990 32.600 0.097 0.000 1.676 193 M HN 0.772 nan 8.290 nan 0.000 0.463 194 Q N 1.546 121.398 119.800 0.086 0.000 2.296 194 Q HA 0.506 4.846 4.340 0.000 0.000 0.254 194 Q C -2.292 173.762 176.000 0.090 0.000 0.936 194 Q CA -0.678 55.129 55.803 0.006 0.000 0.834 194 Q CB 1.826 30.532 28.738 -0.053 0.000 1.340 194 Q HN 0.692 nan 8.270 nan 0.000 0.428 195 F N 0.401 120.349 119.950 -0.004 0.000 2.450 195 F HA 0.557 5.084 4.527 0.000 0.000 0.328 195 F C 0.085 175.882 175.800 -0.004 0.000 1.068 195 F CA -1.233 56.767 58.000 -0.001 0.000 1.007 195 F CB 0.701 39.702 39.000 0.001 0.000 1.251 195 F HN 0.329 nan 8.300 nan 0.000 0.492 196 D N 2.090 122.598 120.400 0.180 0.000 2.994 196 D HA 0.118 4.758 4.640 0.000 0.000 0.240 196 D C -0.164 176.182 176.300 0.077 0.000 1.195 196 D CA 0.173 54.214 54.000 0.068 0.000 0.957 196 D CB -0.125 40.716 40.800 0.068 0.000 1.105 196 D HN 0.218 nan 8.370 nan 0.000 0.477 197 R N 0.355 120.884 120.500 0.049 0.000 2.480 197 R HA 0.511 4.851 4.340 0.000 0.000 0.306 197 R C 0.488 176.734 176.300 -0.090 0.000 0.958 197 R CA -0.707 55.431 56.100 0.062 0.000 0.861 197 R CB 2.049 32.523 30.300 0.290 0.000 1.171 197 R HN 0.136 nan 8.270 nan 0.000 0.445 198 G N 1.419 110.141 108.800 -0.129 0.000 2.557 198 G HA2 0.347 4.307 3.960 0.000 0.000 0.292 198 G HA3 0.347 4.307 3.960 0.000 0.000 0.292 198 G C -0.591 174.182 174.900 -0.211 0.000 1.237 198 G CA -0.446 44.473 45.100 -0.301 0.000 0.978 198 G HN 0.464 nan 8.290 nan 0.000 0.498 199 Y N -1.154 119.150 120.300 0.008 0.000 2.457 199 Y HA 0.313 4.863 4.550 0.000 0.000 0.341 199 Y C 1.393 177.337 175.900 0.074 0.000 1.240 199 Y CA -1.206 56.903 58.100 0.015 0.000 1.437 199 Y CB 0.358 38.857 38.460 0.065 0.000 1.328 199 Y HN 0.207 nan 8.280 nan 0.000 0.588 200 L N 1.060 122.468 121.223 0.308 0.000 2.275 200 L HA -0.021 4.319 4.340 0.000 0.000 0.215 200 L C 0.818 177.940 176.870 0.421 0.000 1.119 200 L CA 1.500 56.520 54.840 0.299 0.000 0.790 200 L CB -0.195 42.005 42.059 0.236 0.000 0.919 200 L HN 0.816 nan 8.230 nan 0.000 0.443 201 S N -2.504 113.554 115.700 0.596 0.000 2.558 201 S HA 0.391 4.861 4.470 0.000 0.000 0.277 201 S C -2.578 172.107 174.600 0.141 0.000 1.143 201 S CA -1.091 57.344 58.200 0.392 0.000 0.865 201 S CB 1.789 65.158 63.200 0.282 0.000 1.102 201 S HN -0.277 nan 8.310 nan 0.000 0.454 202 P HA 0.334 nan 4.420 nan 0.000 0.330 202 P C 0.118 177.260 177.300 -0.262 0.000 1.377 202 P CA 0.511 63.297 63.100 -0.524 0.000 0.793 202 P CB -0.011 31.394 31.700 -0.492 0.000 1.813 203 Y N -4.558 115.594 120.300 -0.246 0.000 2.769 203 Y HA -0.328 4.222 4.550 0.000 0.000 0.487 203 Y C 1.970 177.753 175.900 -0.195 0.000 1.131 203 Y CA 1.682 59.641 58.100 -0.235 0.000 2.888 203 Y CB -2.973 35.292 38.460 -0.325 0.000 0.920 203 Y HN 0.099 nan 8.280 nan 0.000 0.553 204 F N 0.590 120.547 119.950 0.012 0.000 2.192 204 F HA -0.166 4.361 4.527 0.000 0.000 0.301 204 F C 1.635 177.402 175.800 -0.055 0.000 1.079 204 F CA 1.324 59.314 58.000 -0.017 0.000 1.303 204 F CB -0.710 38.276 39.000 -0.024 0.000 1.024 204 F HN 0.011 nan 8.300 nan 0.000 0.494 205 I N 1.495 122.084 120.570 0.031 0.000 3.141 205 I HA -0.208 3.962 4.170 0.000 0.000 0.295 205 I C 0.614 176.743 176.117 0.021 0.000 1.252 205 I CA 1.041 62.327 61.300 -0.023 0.000 1.406 205 I CB 0.059 37.985 38.000 -0.123 0.000 1.333 205 I HN 0.266 nan 8.210 nan 0.000 0.594 206 N N 1.592 120.306 118.700 0.022 0.000 2.228 206 N HA 0.090 4.830 4.740 0.000 0.000 0.237 206 N C -0.627 174.893 175.510 0.018 0.000 1.382 206 N CA -0.425 52.640 53.050 0.025 0.000 0.787 206 N CB 0.461 38.972 38.487 0.041 0.000 1.320 206 N HN 0.370 nan 8.380 nan 0.000 0.507 207 K N 1.034 121.441 120.400 0.012 0.000 3.350 207 K HA 0.281 4.601 4.320 0.000 0.000 0.167 207 K C -2.206 174.396 176.600 0.005 0.000 1.058 207 K CA -0.980 55.314 56.287 0.012 0.000 0.783 207 K CB 1.847 34.359 32.500 0.020 0.000 0.872 207 K HN 0.018 nan 8.250 nan 0.000 0.561 208 P HA -0.200 nan 4.420 nan 0.000 0.223 208 P C 0.481 177.776 177.300 -0.008 0.000 1.140 208 P CA 1.243 64.335 63.100 -0.015 0.000 0.783 208 P CB 0.499 32.187 31.700 -0.020 0.000 0.759 209 E N -0.088 120.111 120.200 -0.001 0.000 2.110 209 E HA -0.106 4.244 4.350 0.000 0.000 0.193 209 E C 1.896 178.496 176.600 0.001 0.000 0.988 209 E CA 2.157 58.557 56.400 0.000 0.000 0.804 209 E CB -0.884 28.819 29.700 0.005 0.000 0.745 209 E HN 0.449 nan 8.360 nan 0.000 0.458 210 T N -4.706 109.853 114.554 0.009 0.000 3.004 210 T HA 0.363 4.713 4.350 0.000 0.000 0.266 210 T C 1.209 175.922 174.700 0.022 0.000 0.986 210 T CA 0.022 62.130 62.100 0.014 0.000 0.902 210 T CB 0.675 69.560 68.868 0.030 0.000 1.118 210 T HN 0.228 nan 8.240 nan 0.000 0.522 211 G N 1.327 110.138 108.800 0.018 0.000 2.353 211 G HA2 0.251 4.211 3.960 0.000 0.000 0.294 211 G HA3 0.251 4.211 3.960 0.000 0.000 0.294 211 G C 0.037 174.983 174.900 0.078 0.000 1.077 211 G CA -0.079 45.036 45.100 0.025 0.000 1.098 211 G HN 1.334 nan 8.290 nan 0.000 0.511 212 A N -0.716 122.144 122.820 0.066 0.000 2.556 212 A HA 0.936 5.256 4.320 0.000 0.000 0.294 212 A C 0.176 177.805 177.584 0.075 0.000 1.091 212 A CA -0.091 52.012 52.037 0.110 0.000 0.704 212 A CB 1.684 20.741 19.000 0.094 0.000 1.300 212 A HN 1.310 nan 8.150 nan 0.000 0.406 213 V N 0.326 120.300 119.914 0.100 0.000 3.441 213 V HA 0.621 4.741 4.120 0.000 0.000 0.300 213 V C 0.351 176.475 176.094 0.049 0.000 1.062 213 V CA -0.071 62.274 62.300 0.075 0.000 1.064 213 V CB 1.399 33.273 31.823 0.085 0.000 1.197 213 V HN 0.983 nan 8.190 nan 0.000 0.451 214 E N 0.499 120.722 120.200 0.038 0.000 2.597 214 E HA 0.450 4.800 4.350 0.000 0.000 0.310 214 E C -2.177 174.435 176.600 0.020 0.000 0.970 214 E CA -0.498 55.916 56.400 0.023 0.000 0.819 214 E CB 1.249 30.962 29.700 0.021 0.000 1.267 214 E HN 0.570 nan 8.360 nan 0.000 0.411 215 L N 3.052 124.281 121.223 0.009 0.000 2.410 215 L HA 0.519 4.859 4.340 0.000 0.000 0.270 215 L C -0.323 176.542 176.870 -0.009 0.000 0.983 215 L CA -1.138 53.706 54.840 0.007 0.000 0.822 215 L CB 1.931 43.996 42.059 0.010 0.000 1.285 215 L HN 0.426 nan 8.230 nan 0.000 0.409 216 E N 1.296 121.489 120.200 -0.012 0.000 2.229 216 E HA 0.135 4.485 4.350 0.000 0.000 0.283 216 E C 0.247 176.814 176.600 -0.055 0.000 1.030 216 E CA -0.235 56.148 56.400 -0.027 0.000 0.836 216 E CB 1.455 31.143 29.700 -0.020 0.000 1.068 216 E HN 0.601 nan 8.360 nan 0.000 0.401 217 S N 2.384 118.040 115.700 -0.074 0.000 3.311 217 S HA -0.148 4.322 4.470 0.000 0.000 0.373 217 S C -1.909 172.572 174.600 -0.199 0.000 0.945 217 S CA 0.414 58.536 58.200 -0.130 0.000 1.238 217 S CB -1.297 61.820 63.200 -0.139 0.000 0.893 217 S HN 0.459 nan 8.310 nan 0.000 0.478 218 P HA 0.272 nan 4.420 nan 0.000 0.274 218 P C 0.001 177.202 177.300 -0.165 0.000 1.260 218 P CA -0.339 62.701 63.100 -0.100 0.000 0.793 218 P CB 0.455 32.150 31.700 -0.008 0.000 1.048 219 F N -0.443 119.515 119.950 0.013 0.000 2.425 219 F HA 0.456 4.983 4.527 0.000 0.000 0.331 219 F C 0.735 176.543 175.800 0.014 0.000 1.085 219 F CA -0.512 57.496 58.000 0.013 0.000 1.028 219 F CB 0.931 39.938 39.000 0.012 0.000 1.177 219 F HN 0.040 nan 8.300 nan 0.000 0.487 220 I N 4.347 125.065 120.570 0.247 0.000 2.389 220 I HA 0.272 4.442 4.170 0.000 0.000 0.288 220 I C -1.269 174.914 176.117 0.109 0.000 0.999 220 I CA -0.995 60.389 61.300 0.140 0.000 1.129 220 I CB 1.828 39.890 38.000 0.104 0.000 1.288 220 I HN 0.232 nan 8.210 nan 0.000 0.444 221 L N 8.192 129.459 121.223 0.074 0.000 2.255 221 L HA 0.447 4.787 4.340 0.000 0.000 0.289 221 L C -0.808 176.079 176.870 0.028 0.000 1.046 221 L CA -0.054 54.810 54.840 0.040 0.000 0.816 221 L CB 0.634 42.708 42.059 0.026 0.000 1.197 221 L HN 0.465 nan 8.230 nan 0.000 0.427 222 L N 6.414 127.648 121.223 0.018 0.000 2.321 222 L HA 0.650 4.990 4.340 0.000 0.000 0.272 222 L C 0.008 176.876 176.870 -0.003 0.000 1.050 222 L CA -0.385 54.457 54.840 0.003 0.000 0.893 222 L CB 0.760 42.817 42.059 -0.003 0.000 1.272 222 L HN 0.771 nan 8.230 nan 0.000 0.435 223 A N 1.701 124.520 122.820 -0.002 0.000 2.304 223 A HA 0.392 4.712 4.320 0.000 0.000 0.314 223 A C -0.667 176.914 177.584 -0.005 0.000 1.187 223 A CA -0.560 51.476 52.037 -0.003 0.000 0.810 223 A CB 1.003 20.005 19.000 0.003 0.000 1.183 223 A HN 0.621 nan 8.150 nan 0.000 0.487 224 D N 2.772 123.168 120.400 -0.008 0.000 2.453 224 D HA 0.464 5.104 4.640 0.000 0.000 0.223 224 D C -0.022 176.278 176.300 0.001 0.000 1.183 224 D CA 0.414 54.409 54.000 -0.007 0.000 0.933 224 D CB -0.371 40.421 40.800 -0.013 0.000 1.038 224 D HN 0.650 nan 8.370 nan 0.000 0.513 225 K N 0.639 121.044 120.400 0.007 0.000 3.663 225 K HA 0.169 4.489 4.320 0.000 0.000 0.413 225 K C -1.269 175.342 176.600 0.019 0.000 1.089 225 K CA -1.161 55.134 56.287 0.013 0.000 0.860 225 K CB 0.255 32.761 32.500 0.010 0.000 1.492 225 K HN -0.024 nan 8.250 nan 0.000 0.517 226 K N 0.485 120.898 120.400 0.022 0.000 2.087 226 K HA 0.590 4.910 4.320 0.000 0.000 0.255 226 K C -0.603 176.012 176.600 0.025 0.000 0.988 226 K CA -0.716 55.587 56.287 0.027 0.000 0.915 226 K CB 0.932 33.448 32.500 0.028 0.000 1.043 226 K HN 0.391 nan 8.250 nan 0.000 0.457 227 I N 0.794 121.383 120.570 0.031 0.000 2.512 227 I HA 0.076 4.246 4.170 0.000 0.000 0.287 227 I C 0.117 176.256 176.117 0.036 0.000 1.069 227 I CA -0.052 61.266 61.300 0.031 0.000 1.056 227 I CB 2.065 40.084 38.000 0.032 0.000 1.229 227 I HN 0.633 nan 8.210 nan 0.000 0.429 228 S N 3.931 119.649 115.700 0.030 0.000 2.700 228 S HA 0.246 4.716 4.470 0.000 0.000 0.272 228 S C -0.123 174.492 174.600 0.024 0.000 1.052 228 S CA -0.174 58.044 58.200 0.030 0.000 1.317 228 S CB 0.280 63.497 63.200 0.028 0.000 1.212 228 S HN 0.600 nan 8.310 nan 0.000 0.675 229 N N 2.730 121.442 118.700 0.020 0.000 2.699 229 N HA 0.304 5.044 4.740 0.000 0.000 0.232 229 N C 0.728 176.247 175.510 0.015 0.000 1.027 229 N CA -0.123 52.937 53.050 0.015 0.000 0.920 229 N CB 1.109 39.603 38.487 0.012 0.000 1.148 229 N HN 0.422 nan 8.380 nan 0.000 0.509 230 I N 1.615 122.195 120.570 0.016 0.000 2.502 230 I HA -0.274 3.896 4.170 0.000 0.000 0.258 230 I C 2.194 178.317 176.117 0.010 0.000 1.172 230 I CA 1.234 62.544 61.300 0.016 0.000 1.430 230 I CB 0.200 38.209 38.000 0.016 0.000 1.086 230 I HN 0.388 nan 8.210 nan 0.000 0.440 231 R N 0.920 121.425 120.500 0.007 0.000 2.355 231 R HA -0.173 4.167 4.340 0.000 0.000 0.219 231 R C 1.465 177.766 176.300 0.003 0.000 1.107 231 R CA 1.348 57.450 56.100 0.004 0.000 1.021 231 R CB -0.055 30.246 30.300 0.003 0.000 0.852 231 R HN 0.578 nan 8.270 nan 0.000 0.475 232 E N -1.037 119.166 120.200 0.004 0.000 2.452 232 E HA -0.000 4.350 4.350 0.000 0.000 0.197 232 E C 1.435 178.035 176.600 0.000 0.000 1.022 232 E CA 0.056 56.457 56.400 0.002 0.000 0.890 232 E CB 0.362 30.064 29.700 0.004 0.000 0.918 232 E HN 0.257 nan 8.360 nan 0.000 0.496 233 M N 0.295 119.897 119.600 0.003 0.000 2.394 233 M HA 0.056 4.536 4.480 0.000 0.000 0.266 233 M C 2.149 178.446 176.300 -0.004 0.000 1.098 233 M CA 0.821 56.122 55.300 0.002 0.000 1.149 233 M CB -0.504 32.103 32.600 0.013 0.000 1.369 233 M HN 0.138 nan 8.290 nan 0.000 0.450 234 L N 1.108 122.329 121.223 -0.003 0.000 1.990 234 L HA -0.197 4.143 4.340 0.000 0.000 0.213 234 L C -0.277 176.585 176.870 -0.013 0.000 1.072 234 L CA 1.645 56.481 54.840 -0.006 0.000 0.755 234 L CB -2.667 39.389 42.059 -0.004 0.000 0.889 234 L HN 0.185 nan 8.230 nan 0.000 0.432 235 P HA -0.109 nan 4.420 nan 0.000 0.226 235 P C 0.769 178.049 177.300 -0.033 0.000 1.146 235 P CA 1.352 64.440 63.100 -0.021 0.000 0.773 235 P CB 0.193 31.882 31.700 -0.018 0.000 0.772 236 V N -0.903 118.989 119.914 -0.036 0.000 3.047 236 V HA 0.209 4.329 4.120 0.000 0.000 0.374 236 V C 1.151 177.210 176.094 -0.057 0.000 1.399 236 V CA -0.026 62.238 62.300 -0.059 0.000 1.251 236 V CB 0.530 32.317 31.823 -0.061 0.000 1.228 236 V HN 0.016 nan 8.190 nan 0.000 0.589 237 L N -1.245 119.956 121.223 -0.037 0.000 2.854 237 L HA 0.402 4.742 4.340 0.000 0.000 0.249 237 L C 1.949 178.808 176.870 -0.017 0.000 1.091 237 L CA 0.758 55.586 54.840 -0.021 0.000 0.935 237 L CB 0.916 42.974 42.059 -0.001 0.000 1.367 237 L HN 0.221 nan 8.230 nan 0.000 0.524 238 E N 0.465 120.653 120.200 -0.020 0.000 2.216 238 E HA -0.009 4.341 4.350 0.000 0.000 0.192 238 E C 1.620 178.205 176.600 -0.025 0.000 0.988 238 E CA 0.713 57.104 56.400 -0.014 0.000 0.834 238 E CB 0.125 29.818 29.700 -0.013 0.000 0.772 238 E HN 0.511 nan 8.360 nan 0.000 0.479 239 A N 0.668 123.458 122.820 -0.050 0.000 2.250 239 A HA 0.037 4.357 4.320 0.000 0.000 0.208 239 A C 1.646 179.167 177.584 -0.104 0.000 1.254 239 A CA 0.437 52.427 52.037 -0.079 0.000 0.858 239 A CB 0.063 18.997 19.000 -0.111 0.000 0.820 239 A HN 0.078 nan 8.150 nan 0.000 0.484 240 V N -2.054 117.830 119.914 -0.051 0.000 3.473 240 V HA 0.087 4.207 4.120 0.000 0.000 0.253 240 V C 2.520 178.640 176.094 0.044 0.000 1.340 240 V CA 0.956 63.252 62.300 -0.005 0.000 1.103 240 V CB 0.073 31.904 31.823 0.013 0.000 0.881 240 V HN 0.489 nan 8.190 nan 0.000 0.451 241 A N -0.095 122.740 122.820 0.025 0.000 2.067 241 A HA -0.077 4.243 4.320 0.000 0.000 0.219 241 A C 1.427 179.031 177.584 0.033 0.000 1.158 241 A CA 0.978 53.034 52.037 0.031 0.000 0.661 241 A CB -0.191 18.820 19.000 0.019 0.000 0.801 241 A HN 0.403 nan 8.150 nan 0.000 0.452 242 K N 0.050 120.466 120.400 0.026 0.000 2.285 242 K HA 0.431 4.751 4.320 0.000 0.000 0.286 242 K C 0.034 176.669 176.600 0.058 0.000 1.072 242 K CA 0.425 56.729 56.287 0.029 0.000 0.913 242 K CB 0.134 32.640 32.500 0.009 0.000 1.067 242 K HN 0.854 nan 8.250 nan 0.000 0.479 243 A N 3.123 125.984 122.820 0.068 0.000 2.971 243 A HA -0.125 4.195 4.320 0.000 0.000 0.280 243 A C 0.631 178.291 177.584 0.126 0.000 1.430 243 A CA 0.391 52.488 52.037 0.100 0.000 0.749 243 A CB -2.265 16.823 19.000 0.145 0.000 1.038 243 A HN 1.103 nan 8.150 nan 0.000 0.510 244 G N 0.300 109.151 108.800 0.086 0.000 2.526 244 G HA2 0.101 4.061 3.960 0.000 0.000 0.307 244 G HA3 0.101 4.061 3.960 0.000 0.000 0.307 244 G C 0.194 175.151 174.900 0.095 0.000 0.456 244 G CA 1.129 46.279 45.100 0.083 0.000 1.625 244 G HN 0.832 nan 8.290 nan 0.000 0.392 245 K N 2.956 123.452 120.400 0.160 0.000 2.449 245 K HA 0.258 4.578 4.320 0.000 0.000 0.257 245 K C -2.106 174.603 176.600 0.183 0.000 0.989 245 K CA -1.809 54.561 56.287 0.139 0.000 0.916 245 K CB 2.424 34.989 32.500 0.108 0.000 1.136 245 K HN 0.191 nan 8.250 nan 0.000 0.439 246 P HA -0.138 nan 4.420 nan 0.000 0.268 246 P C -0.792 176.593 177.300 0.142 0.000 1.189 246 P CA -0.252 62.910 63.100 0.104 0.000 0.771 246 P CB 0.625 32.364 31.700 0.065 0.000 0.822 247 L N 2.482 123.781 121.223 0.127 0.000 2.342 247 L HA 0.598 4.938 4.340 0.000 0.000 0.271 247 L C -1.173 175.742 176.870 0.075 0.000 1.008 247 L CA -1.064 53.857 54.840 0.135 0.000 0.818 247 L CB 1.593 43.724 42.059 0.119 0.000 1.296 247 L HN 0.222 nan 8.230 nan 0.000 0.427 248 L N 5.313 126.582 121.223 0.077 0.000 2.325 248 L HA 0.615 4.955 4.340 0.000 0.000 0.281 248 L C -1.251 175.643 176.870 0.039 0.000 1.004 248 L CA -0.191 54.669 54.840 0.035 0.000 0.823 248 L CB 1.244 43.332 42.059 0.048 0.000 1.236 248 L HN 0.423 nan 8.230 nan 0.000 0.415 249 I N 6.918 127.492 120.570 0.007 0.000 2.339 249 I HA 0.358 4.528 4.170 0.000 0.000 0.290 249 I C -0.272 175.860 176.117 0.026 0.000 0.994 249 I CA -0.251 61.060 61.300 0.018 0.000 1.191 249 I CB 1.264 39.270 38.000 0.010 0.000 1.343 249 I HN 0.565 nan 8.210 nan 0.000 0.458 250 I N 5.740 126.331 120.570 0.035 0.000 2.411 250 I HA 0.648 4.818 4.170 0.000 0.000 0.284 250 I C -0.009 176.115 176.117 0.012 0.000 1.012 250 I CA -0.229 61.092 61.300 0.035 0.000 1.119 250 I CB 1.782 39.800 38.000 0.031 0.000 1.261 250 I HN 0.709 nan 8.210 nan 0.000 0.448 251 A N 4.507 127.336 122.820 0.015 0.000 2.593 251 A HA 0.388 4.708 4.320 0.000 0.000 0.290 251 A C 0.655 178.248 177.584 0.016 0.000 1.126 251 A CA -0.556 51.487 52.037 0.011 0.000 0.695 251 A CB 1.419 20.430 19.000 0.018 0.000 1.290 251 A HN 0.743 nan 8.150 nan 0.000 0.414 252 E N -0.493 119.717 120.200 0.016 0.000 2.147 252 E HA -0.189 4.161 4.350 0.000 0.000 0.199 252 E C -0.084 176.539 176.600 0.038 0.000 1.005 252 E CA 2.065 58.481 56.400 0.027 0.000 0.810 252 E CB 0.075 29.792 29.700 0.028 0.000 0.736 252 E HN 0.624 nan 8.360 nan 0.000 0.460 253 D N -2.645 117.778 120.400 0.039 0.000 2.983 253 D HA 0.106 4.746 4.640 0.000 0.000 0.269 253 D C -2.047 174.283 176.300 0.050 0.000 1.121 253 D CA -0.431 53.598 54.000 0.048 0.000 0.724 253 D CB 1.301 42.129 40.800 0.048 0.000 1.381 253 D HN -0.119 nan 8.370 nan 0.000 0.442 254 V N 2.171 122.123 119.914 0.063 0.000 2.443 254 V HA 0.499 4.619 4.120 0.000 0.000 0.293 254 V C -0.374 175.765 176.094 0.075 0.000 1.021 254 V CA -0.604 61.738 62.300 0.069 0.000 0.848 254 V CB 1.594 33.468 31.823 0.086 0.000 0.998 254 V HN 0.428 nan 8.190 nan 0.000 0.424 255 E N 2.648 122.885 120.200 0.061 0.000 2.212 255 E HA 0.524 4.874 4.350 0.000 0.000 0.270 255 E C 1.264 177.894 176.600 0.051 0.000 0.956 255 E CA -0.220 56.214 56.400 0.055 0.000 0.825 255 E CB 1.969 31.694 29.700 0.042 0.000 1.167 255 E HN 0.711 nan 8.360 nan 0.000 0.400 256 G N 2.510 111.338 108.800 0.047 0.000 3.359 256 G HA2 -0.476 3.484 3.960 0.000 0.000 0.338 256 G HA3 -0.476 3.484 3.960 0.000 0.000 0.338 256 G C 1.276 176.193 174.900 0.028 0.000 1.486 256 G CA 1.667 46.788 45.100 0.036 0.000 1.570 256 G HN 0.670 nan 8.290 nan 0.000 1.093 257 E N 1.114 121.328 120.200 0.023 0.000 2.002 257 E HA -0.158 4.192 4.350 0.000 0.000 0.213 257 E C 2.976 179.589 176.600 0.021 0.000 1.024 257 E CA 1.961 58.372 56.400 0.017 0.000 0.876 257 E CB -0.950 28.759 29.700 0.016 0.000 0.799 257 E HN 0.595 nan 8.360 nan 0.000 0.497 258 A N 0.632 123.471 122.820 0.030 0.000 2.121 258 A HA -0.124 4.196 4.320 0.000 0.000 0.218 258 A C 2.128 179.747 177.584 0.059 0.000 1.154 258 A CA 1.253 53.313 52.037 0.039 0.000 0.679 258 A CB -0.408 18.616 19.000 0.040 0.000 0.795 258 A HN 0.350 nan 8.150 nan 0.000 0.458 259 L N -0.522 120.742 121.223 0.067 0.000 2.049 259 L HA 0.157 4.497 4.340 0.000 0.000 0.203 259 L C 2.543 179.452 176.870 0.065 0.000 1.074 259 L CA 2.185 57.087 54.840 0.104 0.000 0.749 259 L CB -1.070 41.056 42.059 0.112 0.000 0.907 259 L HN 0.249 nan 8.230 nan 0.000 0.439 260 A N -1.479 121.353 122.820 0.020 0.000 2.015 260 A HA -0.157 4.163 4.320 0.000 0.000 0.219 260 A C 2.196 179.747 177.584 -0.056 0.000 1.163 260 A CA 1.990 54.004 52.037 -0.038 0.000 0.646 260 A CB -1.180 17.798 19.000 -0.036 0.000 0.806 260 A HN 0.528 nan 8.150 nan 0.000 0.448 261 T N 0.371 114.915 114.554 -0.017 0.000 2.803 261 T HA -0.081 4.269 4.350 0.000 0.000 0.269 261 T C 1.698 176.390 174.700 -0.013 0.000 1.052 261 T CA 1.472 63.562 62.100 -0.017 0.000 1.136 261 T CB -0.294 68.578 68.868 0.005 0.000 0.864 261 T HN 0.415 nan 8.240 nan 0.000 0.467 262 L N 0.462 121.698 121.223 0.021 0.000 2.127 262 L HA 0.036 4.376 4.340 0.000 0.000 0.203 262 L C 2.506 179.337 176.870 -0.064 0.000 1.080 262 L CA 0.543 55.421 54.840 0.063 0.000 0.768 262 L CB -0.521 41.673 42.059 0.224 0.000 0.924 262 L HN 0.107 nan 8.230 nan 0.000 0.444 263 V N -0.494 119.294 119.914 -0.210 0.000 2.828 263 V HA -0.217 3.903 4.120 0.000 0.000 0.260 263 V C 2.282 178.168 176.094 -0.346 0.000 1.101 263 V CA 1.032 63.051 62.300 -0.467 0.000 1.123 263 V CB -0.512 31.043 31.823 -0.447 0.000 0.704 263 V HN 0.189 nan 8.190 nan 0.000 0.493 264 V N 0.537 120.325 119.914 -0.210 0.000 2.251 264 V HA -0.192 3.928 4.120 0.000 0.000 0.237 264 V C 2.064 178.090 176.094 -0.114 0.000 1.040 264 V CA 2.223 64.424 62.300 -0.165 0.000 1.005 264 V CB -0.798 30.960 31.823 -0.110 0.000 0.645 264 V HN 0.564 nan 8.190 nan 0.000 0.458 265 N N 0.547 119.210 118.700 -0.062 0.000 2.322 265 N HA -0.201 4.539 4.740 0.000 0.000 0.189 265 N C 1.534 177.036 175.510 -0.014 0.000 1.012 265 N CA 1.691 54.726 53.050 -0.024 0.000 0.880 265 N CB -0.160 38.332 38.487 0.008 0.000 0.967 265 N HN 0.707 nan 8.380 nan 0.000 0.439 266 T N -2.654 111.880 114.554 -0.033 0.000 3.129 266 T HA 0.140 4.490 4.350 0.000 0.000 0.251 266 T C 1.462 176.145 174.700 -0.029 0.000 1.117 266 T CA 0.233 62.332 62.100 -0.002 0.000 1.034 266 T CB 0.242 69.122 68.868 0.020 0.000 0.968 266 T HN -0.001 nan 8.240 nan 0.000 0.526 267 M N 0.266 119.827 119.600 -0.065 0.000 2.740 267 M HA 0.455 4.935 4.480 0.000 0.000 0.253 267 M C 1.962 178.238 176.300 -0.041 0.000 1.341 267 M CA 0.497 55.760 55.300 -0.060 0.000 1.176 267 M CB 0.412 32.944 32.600 -0.113 0.000 1.310 267 M HN -0.030 nan 8.290 nan 0.000 0.531 268 R N -0.134 120.340 120.500 -0.043 0.000 2.319 268 R HA 0.241 4.581 4.340 0.000 0.000 0.204 268 R C 1.043 177.335 176.300 -0.014 0.000 0.954 268 R CA 0.653 56.735 56.100 -0.029 0.000 1.066 268 R CB -0.348 29.932 30.300 -0.032 0.000 0.991 268 R HN 0.594 nan 8.270 nan 0.000 0.486 269 G N 1.789 110.586 108.800 -0.007 0.000 2.205 269 G HA2 -0.302 3.658 3.960 0.000 0.000 0.269 269 G HA3 -0.302 3.658 3.960 0.000 0.000 0.269 269 G C 0.393 175.300 174.900 0.012 0.000 0.977 269 G CA 0.327 45.431 45.100 0.006 0.000 0.652 269 G HN 0.379 nan 8.290 nan 0.000 0.539 270 I N 1.366 121.940 120.570 0.007 0.000 2.352 270 I HA 0.344 4.514 4.170 0.000 0.000 0.303 270 I C 0.683 176.814 176.117 0.023 0.000 1.194 270 I CA -0.332 60.975 61.300 0.011 0.000 1.518 270 I CB 0.020 38.023 38.000 0.004 0.000 1.489 270 I HN 0.083 nan 8.210 nan 0.000 0.702 271 V N 4.877 124.810 119.914 0.032 0.000 3.418 271 V HA -0.220 3.900 4.120 0.000 0.000 0.479 271 V C 0.273 176.404 176.094 0.063 0.000 0.682 271 V CA 0.252 62.580 62.300 0.047 0.000 2.011 271 V CB -1.197 30.653 31.823 0.045 0.000 2.457 271 V HN 0.972 nan 8.190 nan 0.000 0.501 272 K N 5.001 125.445 120.400 0.073 0.000 2.211 272 K HA 0.842 5.162 4.320 0.000 0.000 0.275 272 K C -0.344 176.329 176.600 0.120 0.000 1.024 272 K CA -0.501 55.846 56.287 0.099 0.000 0.887 272 K CB 2.409 34.960 32.500 0.086 0.000 1.084 272 K HN 0.996 nan 8.250 nan 0.000 0.463 273 V N -1.598 118.420 119.914 0.174 0.000 3.156 273 V HA 0.957 5.077 4.120 0.000 0.000 0.310 273 V C -1.148 175.032 176.094 0.145 0.000 1.234 273 V CA -1.068 61.315 62.300 0.139 0.000 1.065 273 V CB 1.504 33.398 31.823 0.119 0.000 1.088 273 V HN 1.038 nan 8.190 nan 0.000 0.451 274 A N -0.022 122.712 122.820 -0.143 0.000 2.540 274 A HA 1.005 5.325 4.320 0.000 0.000 0.297 274 A C -0.602 176.667 177.584 -0.526 0.000 1.056 274 A CA -0.063 51.526 52.037 -0.748 0.000 0.700 274 A CB 1.298 20.028 19.000 -0.449 0.000 1.280 274 A HN 2.522 nan 8.150 nan 0.000 0.398 275 A N 0.981 123.389 122.820 -0.687 0.000 2.401 275 A HA 0.914 5.234 4.320 0.000 0.000 0.310 275 A C -0.336 177.155 177.584 -0.156 0.000 1.075 275 A CA -0.113 51.773 52.037 -0.251 0.000 0.746 275 A CB 1.451 20.386 19.000 -0.108 0.000 1.277 275 A HN 2.296 nan 8.150 nan 0.000 0.425 276 V N -0.937 118.966 119.914 -0.019 0.000 2.962 276 V HA 0.659 4.779 4.120 0.000 0.000 0.313 276 V C -0.306 175.846 176.094 0.096 0.000 1.099 276 V CA -1.151 61.183 62.300 0.056 0.000 0.971 276 V CB 1.535 33.414 31.823 0.093 0.000 1.028 276 V HN 0.961 nan 8.190 nan 0.000 0.430 277 K N 2.257 122.717 120.400 0.101 0.000 2.350 277 K HA 0.626 4.946 4.320 0.000 0.000 0.279 277 K C 0.587 177.245 176.600 0.097 0.000 1.027 277 K CA 0.356 56.696 56.287 0.087 0.000 0.969 277 K CB 0.979 33.526 32.500 0.077 0.000 0.954 277 K HN 1.259 nan 8.250 nan 0.000 0.474 278 A N 5.686 128.527 122.820 0.036 0.000 2.536 278 A HA 0.120 4.440 4.320 0.000 0.000 0.234 278 A C -2.130 175.432 177.584 -0.037 0.000 1.076 278 A CA -0.722 51.285 52.037 -0.050 0.000 0.769 278 A CB -0.458 18.508 19.000 -0.055 0.000 1.020 278 A HN 0.630 nan 8.150 nan 0.000 0.508 279 P HA 0.403 nan 4.420 nan 0.000 0.279 279 P C 0.701 178.002 177.300 0.002 0.000 1.239 279 P CA 1.297 64.355 63.100 -0.070 0.000 0.789 279 P CB 0.773 32.316 31.700 -0.262 0.000 0.933 280 G N 2.616 111.471 108.800 0.092 0.000 2.633 280 G HA2 -0.118 3.842 3.960 0.000 0.000 0.263 280 G HA3 -0.118 3.842 3.960 0.000 0.000 0.263 280 G C -0.746 174.312 174.900 0.264 0.000 1.310 280 G CA 0.303 45.510 45.100 0.178 0.000 0.914 280 G HN 0.775 nan 8.290 nan 0.000 0.569 281 F N -2.354 117.600 119.950 0.006 0.000 2.686 281 F HA 0.801 5.328 4.527 0.000 0.000 0.311 281 F C 0.689 176.495 175.800 0.009 0.000 1.128 281 F CA 0.183 58.187 58.000 0.007 0.000 0.946 281 F CB 1.094 40.103 39.000 0.016 0.000 1.336 281 F HN 2.563 nan 8.300 nan 0.000 0.457 282 G N 1.643 110.356 108.800 -0.145 0.000 2.642 282 G HA2 -0.223 3.737 3.960 0.000 0.000 0.231 282 G HA3 -0.223 3.737 3.960 0.000 0.000 0.231 282 G C 0.033 174.825 174.900 -0.179 0.000 1.338 282 G CA 0.142 45.091 45.100 -0.251 0.000 0.883 282 G HN 0.918 nan 8.290 nan 0.000 0.570 283 D N 0.336 120.637 120.400 -0.166 0.000 2.265 283 D HA -0.089 4.551 4.640 0.000 0.000 0.208 283 D C 2.504 178.733 176.300 -0.119 0.000 0.977 283 D CA 1.451 55.384 54.000 -0.111 0.000 0.871 283 D CB -0.069 40.677 40.800 -0.090 0.000 0.925 283 D HN 0.536 nan 8.370 nan 0.000 0.485 284 R N 0.435 120.833 120.500 -0.171 0.000 2.057 284 R HA 0.036 4.376 4.340 0.000 0.000 0.229 284 R C 2.420 178.652 176.300 -0.113 0.000 1.136 284 R CA 0.361 56.375 56.100 -0.144 0.000 0.952 284 R CB -0.234 29.960 30.300 -0.177 0.000 0.848 284 R HN 0.059 nan 8.270 nan 0.000 0.430 285 R N 1.944 122.377 120.500 -0.111 0.000 2.103 285 R HA -0.185 4.155 4.340 0.000 0.000 0.242 285 R C 1.795 178.051 176.300 -0.074 0.000 1.142 285 R CA 1.806 57.862 56.100 -0.072 0.000 0.960 285 R CB -0.046 30.239 30.300 -0.026 0.000 0.858 285 R HN 0.158 nan 8.270 nan 0.000 0.439 286 K N -0.382 119.978 120.400 -0.067 0.000 2.103 286 K HA -0.120 4.200 4.320 0.000 0.000 0.207 286 K C 2.069 178.633 176.600 -0.060 0.000 1.048 286 K CA 1.553 57.807 56.287 -0.055 0.000 0.930 286 K CB -0.125 32.347 32.500 -0.047 0.000 0.716 286 K HN 0.240 nan 8.250 nan 0.000 0.444 287 A N 0.998 123.778 122.820 -0.067 0.000 1.929 287 A HA -0.075 4.245 4.320 0.000 0.000 0.216 287 A C 2.077 179.619 177.584 -0.070 0.000 1.176 287 A CA 1.095 53.094 52.037 -0.063 0.000 0.628 287 A CB -0.341 18.621 19.000 -0.064 0.000 0.816 287 A HN 0.151 nan 8.150 nan 0.000 0.444 288 M N -0.493 119.056 119.600 -0.085 0.000 2.213 288 M HA -0.072 4.408 4.480 0.000 0.000 0.263 288 M C 2.021 178.248 176.300 -0.122 0.000 1.062 288 M CA 1.053 56.290 55.300 -0.104 0.000 1.105 288 M CB -0.472 32.054 32.600 -0.124 0.000 1.385 288 M HN 0.384 nan 8.290 nan 0.000 0.417 289 L N -0.231 120.924 121.223 -0.113 0.000 2.017 289 L HA -0.248 4.092 4.340 0.000 0.000 0.208 289 L C 2.633 179.458 176.870 -0.075 0.000 1.073 289 L CA 1.386 56.160 54.840 -0.109 0.000 0.745 289 L CB -0.610 41.401 42.059 -0.081 0.000 0.894 289 L HN 0.292 nan 8.230 nan 0.000 0.432 290 Q N 0.477 120.243 119.800 -0.058 0.000 2.135 290 Q HA -0.235 4.105 4.340 0.000 0.000 0.204 290 Q C 1.558 177.536 176.000 -0.037 0.000 0.981 290 Q CA 1.985 57.764 55.803 -0.040 0.000 0.856 290 Q CB -0.172 28.544 28.738 -0.035 0.000 0.902 290 Q HN 0.411 nan 8.270 nan 0.000 0.425 291 D N -0.345 120.027 120.400 -0.047 0.000 2.087 291 D HA -0.173 4.467 4.640 0.000 0.000 0.192 291 D C 1.800 178.082 176.300 -0.029 0.000 0.993 291 D CA 1.699 55.676 54.000 -0.037 0.000 0.828 291 D CB -0.314 40.459 40.800 -0.045 0.000 0.968 291 D HN 0.330 nan 8.370 nan 0.000 0.448 292 I N 0.833 121.375 120.570 -0.047 0.000 2.248 292 I HA -0.327 3.843 4.170 0.000 0.000 0.248 292 I C 2.371 178.485 176.117 -0.005 0.000 1.107 292 I CA 1.155 62.440 61.300 -0.026 0.000 1.373 292 I CB -0.346 37.614 38.000 -0.067 0.000 1.055 292 I HN -0.023 nan 8.210 nan 0.000 0.418 293 A N 0.432 123.244 122.820 -0.014 0.000 1.877 293 A HA -0.211 4.109 4.320 0.000 0.000 0.216 293 A C 2.401 179.989 177.584 0.005 0.000 1.186 293 A CA 2.531 54.568 52.037 -0.001 0.000 0.620 293 A CB -1.101 17.894 19.000 -0.008 0.000 0.822 293 A HN 0.371 nan 8.150 nan 0.000 0.443 294 T N 0.426 114.979 114.554 -0.001 0.000 2.674 294 T HA -0.125 4.225 4.350 0.000 0.000 0.265 294 T C 1.830 176.534 174.700 0.007 0.000 1.039 294 T CA 1.304 63.405 62.100 0.001 0.000 1.150 294 T CB -0.392 68.474 68.868 -0.004 0.000 0.864 294 T HN 0.305 nan 8.240 nan 0.000 0.427 295 L N 2.015 123.242 121.223 0.007 0.000 2.263 295 L HA -0.084 4.256 4.340 0.000 0.000 0.216 295 L C 1.850 178.731 176.870 0.018 0.000 1.111 295 L CA 2.164 57.011 54.840 0.013 0.000 0.773 295 L CB -1.138 40.931 42.059 0.018 0.000 0.906 295 L HN 0.490 nan 8.230 nan 0.000 0.439 296 T N -3.767 110.801 114.554 0.022 0.000 3.182 296 T HA 0.372 4.722 4.350 0.000 0.000 0.277 296 T C 0.870 175.589 174.700 0.033 0.000 1.013 296 T CA 0.153 62.270 62.100 0.028 0.000 0.900 296 T CB -0.191 68.701 68.868 0.040 0.000 1.098 296 T HN 0.517 nan 8.240 nan 0.000 0.543 297 G N 0.008 108.824 108.800 0.027 0.000 2.402 297 G HA2 0.374 4.334 3.960 0.000 0.000 0.206 297 G HA3 0.374 4.334 3.960 0.000 0.000 0.206 297 G C 0.265 175.192 174.900 0.044 0.000 0.637 297 G CA -0.152 44.967 45.100 0.031 0.000 0.974 297 G HN 1.640 nan 8.290 nan 0.000 0.308 298 G N 0.300 109.120 108.800 0.034 0.000 2.317 298 G HA2 0.952 4.912 3.960 0.000 0.000 0.293 298 G HA3 0.952 4.912 3.960 0.000 0.000 0.293 298 G C -0.479 174.432 174.900 0.019 0.000 1.287 298 G CA 0.513 45.634 45.100 0.036 0.000 0.850 298 G HN 2.212 nan 8.290 nan 0.000 0.515 299 T N -2.105 112.457 114.554 0.014 0.000 2.903 299 T HA 0.748 5.098 4.350 0.000 0.000 0.299 299 T C 0.124 174.824 174.700 0.000 0.000 1.093 299 T CA -0.178 61.925 62.100 0.004 0.000 1.002 299 T CB 1.358 70.227 68.868 0.001 0.000 1.127 299 T HN 1.876 nan 8.240 nan 0.000 0.488 300 V N 0.090 120.001 119.914 -0.006 0.000 2.775 300 V HA 0.588 4.708 4.120 0.000 0.000 0.299 300 V C -0.066 176.023 176.094 -0.009 0.000 1.062 300 V CA -0.779 61.515 62.300 -0.010 0.000 1.063 300 V CB 0.087 31.899 31.823 -0.018 0.000 0.994 300 V HN 0.890 nan 8.190 nan 0.000 0.483 301 I N 4.477 125.042 120.570 -0.008 0.000 2.388 301 I HA 0.411 4.581 4.170 0.000 0.000 0.281 301 I C 0.148 176.261 176.117 -0.007 0.000 1.046 301 I CA -0.053 61.243 61.300 -0.007 0.000 1.187 301 I CB 1.202 39.198 38.000 -0.007 0.000 1.351 301 I HN 0.875 nan 8.210 nan 0.000 0.472 302 S N 2.676 118.371 115.700 -0.008 0.000 2.482 302 S HA 0.401 4.871 4.470 0.000 0.000 0.303 302 S C 0.551 175.148 174.600 -0.005 0.000 1.091 302 S CA -0.855 57.341 58.200 -0.007 0.000 1.057 302 S CB 2.085 65.279 63.200 -0.010 0.000 1.031 302 S HN 0.587 nan 8.310 nan 0.000 0.485 303 E N 1.641 121.839 120.200 -0.003 0.000 2.204 303 E HA -0.179 4.171 4.350 0.000 0.000 0.195 303 E C 1.180 177.778 176.600 -0.002 0.000 0.990 303 E CA 1.148 57.547 56.400 -0.001 0.000 0.821 303 E CB -0.179 29.522 29.700 0.001 0.000 0.750 303 E HN 0.808 nan 8.360 nan 0.000 0.477 304 E N 0.210 120.408 120.200 -0.003 0.000 2.339 304 E HA -0.179 4.171 4.350 0.000 0.000 0.201 304 E C 0.864 177.461 176.600 -0.005 0.000 1.015 304 E CA 0.735 57.132 56.400 -0.004 0.000 0.841 304 E CB -0.023 29.673 29.700 -0.007 0.000 0.754 304 E HN 0.378 nan 8.360 nan 0.000 0.508 305 I N -0.898 119.669 120.570 -0.005 0.000 3.171 305 I HA 0.191 4.361 4.170 0.000 0.000 0.329 305 I C 0.904 177.018 176.117 -0.004 0.000 1.522 305 I CA -0.139 61.158 61.300 -0.005 0.000 0.948 305 I CB 0.928 38.924 38.000 -0.006 0.000 1.527 305 I HN 0.106 nan 8.210 nan 0.000 0.547 306 G N 1.676 110.474 108.800 -0.003 0.000 2.322 306 G HA2 -0.343 3.617 3.960 0.000 0.000 0.264 306 G HA3 -0.343 3.617 3.960 0.000 0.000 0.264 306 G C 0.576 175.473 174.900 -0.004 0.000 0.992 306 G CA 0.144 45.242 45.100 -0.003 0.000 0.624 306 G HN 0.399 nan 8.290 nan 0.000 0.543 307 M N 1.320 120.917 119.600 -0.004 0.000 2.260 307 M HA 0.249 4.729 4.480 0.000 0.000 0.348 307 M C 0.642 176.939 176.300 -0.005 0.000 1.342 307 M CA 1.052 56.348 55.300 -0.005 0.000 1.040 307 M CB 0.240 32.836 32.600 -0.006 0.000 1.810 307 M HN 0.307 nan 8.290 nan 0.000 0.453 308 E N 2.375 122.571 120.200 -0.005 0.000 2.249 308 E HA 0.298 4.648 4.350 0.000 0.000 0.263 308 E C 0.341 176.937 176.600 -0.007 0.000 0.950 308 E CA -0.705 55.692 56.400 -0.005 0.000 0.827 308 E CB 1.653 31.350 29.700 -0.004 0.000 1.220 308 E HN 0.669 nan 8.360 nan 0.000 0.411 309 L N 1.080 122.299 121.223 -0.006 0.000 2.465 309 L HA -0.127 4.213 4.340 0.000 0.000 0.224 309 L C 1.485 178.347 176.870 -0.014 0.000 1.145 309 L CA 0.827 55.661 54.840 -0.009 0.000 0.834 309 L CB -0.197 41.859 42.059 -0.006 0.000 0.944 309 L HN 0.459 nan 8.230 nan 0.000 0.451 310 E N 0.305 120.498 120.200 -0.012 0.000 2.140 310 E HA -0.064 4.286 4.350 0.000 0.000 0.191 310 E C 1.233 177.823 176.600 -0.016 0.000 0.973 310 E CA 0.697 57.089 56.400 -0.014 0.000 0.829 310 E CB 0.066 29.760 29.700 -0.010 0.000 0.781 310 E HN 0.226 nan 8.360 nan 0.000 0.466 311 K N 0.652 121.044 120.400 -0.013 0.000 2.836 311 K HA 0.269 4.589 4.320 0.000 0.000 0.236 311 K C -0.435 176.155 176.600 -0.017 0.000 1.015 311 K CA 0.023 56.302 56.287 -0.013 0.000 1.194 311 K CB 0.234 32.727 32.500 -0.010 0.000 1.002 311 K HN -0.038 nan 8.250 nan 0.000 0.479 312 A N 1.097 123.903 122.820 -0.022 0.000 2.340 312 A HA 0.274 4.594 4.320 0.000 0.000 0.297 312 A C 0.724 178.283 177.584 -0.041 0.000 1.195 312 A CA -0.813 51.207 52.037 -0.028 0.000 0.769 312 A CB 0.556 19.538 19.000 -0.029 0.000 1.163 312 A HN 0.272 nan 8.150 nan 0.000 0.472 313 T N 0.865 115.395 114.554 -0.040 0.000 5.570 313 T HA 0.207 4.557 4.350 0.000 0.000 0.280 313 T C 1.183 175.832 174.700 -0.085 0.000 0.813 313 T CA 1.195 63.264 62.100 -0.052 0.000 1.702 313 T CB -0.211 68.635 68.868 -0.037 0.000 1.406 313 T HN 0.343 nan 8.240 nan 0.000 0.284 314 L N -0.570 120.599 121.223 -0.090 0.000 2.730 314 L HA 0.373 4.713 4.340 0.000 0.000 0.236 314 L C 2.554 179.374 176.870 -0.084 0.000 1.061 314 L CA 0.230 54.977 54.840 -0.155 0.000 0.898 314 L CB 0.079 42.028 42.059 -0.183 0.000 1.270 314 L HN 0.448 nan 8.230 nan 0.000 0.500 315 E N 0.564 120.749 120.200 -0.025 0.000 2.418 315 E HA -0.181 4.169 4.350 0.000 0.000 0.197 315 E C 1.344 177.952 176.600 0.014 0.000 1.026 315 E CA 0.931 57.342 56.400 0.017 0.000 0.862 315 E CB 0.042 29.753 29.700 0.019 0.000 0.799 315 E HN 0.299 nan 8.360 nan 0.000 0.518 316 D N -0.348 120.046 120.400 -0.010 0.000 2.269 316 D HA -0.071 4.569 4.640 0.000 0.000 0.208 316 D C 0.443 176.745 176.300 0.003 0.000 0.963 316 D CA 0.192 54.188 54.000 -0.006 0.000 0.864 316 D CB 0.078 40.867 40.800 -0.018 0.000 0.936 316 D HN 0.194 nan 8.370 nan 0.000 0.505 317 L N 0.546 121.766 121.223 -0.005 0.000 2.453 317 L HA 0.373 4.713 4.340 0.000 0.000 0.261 317 L C 0.905 177.843 176.870 0.114 0.000 1.179 317 L CA 0.036 54.890 54.840 0.023 0.000 0.813 317 L CB 1.109 43.123 42.059 -0.076 0.000 1.110 317 L HN -0.114 nan 8.230 nan 0.000 0.466 318 G N 1.444 110.330 108.800 0.144 0.000 2.502 318 G HA2 0.522 4.482 3.960 0.000 0.000 0.305 318 G HA3 0.522 4.482 3.960 0.000 0.000 0.305 318 G C -1.395 173.636 174.900 0.218 0.000 1.190 318 G CA -0.271 44.916 45.100 0.145 0.000 0.933 318 G HN 0.706 nan 8.290 nan 0.000 0.503 319 Q N -0.994 118.871 119.800 0.108 0.000 2.378 319 Q HA 0.543 4.883 4.340 0.000 0.000 0.262 319 Q C -1.500 174.482 176.000 -0.029 0.000 0.978 319 Q CA -0.742 55.064 55.803 0.006 0.000 0.918 319 Q CB 1.887 30.597 28.738 -0.045 0.000 1.415 319 Q HN 0.997 nan 8.270 nan 0.000 0.409 320 A N 2.818 125.601 122.820 -0.060 0.000 2.556 320 A HA 0.417 4.737 4.320 0.000 0.000 0.294 320 A C -0.289 177.255 177.584 -0.066 0.000 1.091 320 A CA -0.618 51.394 52.037 -0.042 0.000 0.704 320 A CB 1.855 20.850 19.000 -0.009 0.000 1.300 320 A HN 0.816 nan 8.150 nan 0.000 0.406 321 K N -0.436 119.934 120.400 -0.050 0.000 2.442 321 K HA -0.015 4.305 4.320 0.000 0.000 0.198 321 K C 0.415 176.989 176.600 -0.044 0.000 1.042 321 K CA 1.269 57.524 56.287 -0.053 0.000 0.958 321 K CB -0.007 32.470 32.500 -0.038 0.000 0.766 321 K HN 0.600 nan 8.250 nan 0.000 0.474 322 R N -0.586 119.894 120.500 -0.034 0.000 3.513 322 R HA 0.075 4.415 4.340 0.000 0.000 0.243 322 R C -1.843 174.446 176.300 -0.018 0.000 1.033 322 R CA -0.518 55.566 56.100 -0.026 0.000 1.083 322 R CB 1.027 31.314 30.300 -0.022 0.000 1.246 322 R HN -0.041 nan 8.270 nan 0.000 0.526 323 V N 0.459 120.364 119.914 -0.015 0.000 2.914 323 V HA 0.945 5.065 4.120 0.000 0.000 0.314 323 V C -1.229 174.852 176.094 -0.020 0.000 1.084 323 V CA -0.645 61.644 62.300 -0.017 0.000 0.963 323 V CB 2.314 34.132 31.823 -0.008 0.000 1.025 323 V HN 0.439 nan 8.190 nan 0.000 0.432 324 V N 4.370 124.262 119.914 -0.037 0.000 2.610 324 V HA 0.541 4.661 4.120 0.000 0.000 0.298 324 V C -0.664 175.402 176.094 -0.047 0.000 1.067 324 V CA -0.142 62.142 62.300 -0.026 0.000 0.894 324 V CB 1.576 33.386 31.823 -0.022 0.000 1.015 324 V HN 0.863 nan 8.190 nan 0.000 0.432 325 I N 6.154 126.720 120.570 -0.007 0.000 2.418 325 I HA 0.516 4.686 4.170 0.000 0.000 0.287 325 I C 0.091 176.272 176.117 0.106 0.000 1.008 325 I CA -0.382 60.919 61.300 0.002 0.000 1.104 325 I CB 1.783 39.800 38.000 0.030 0.000 1.264 325 I HN 0.791 nan 8.210 nan 0.000 0.438 326 N N 6.025 124.743 118.700 0.030 0.000 2.992 326 N HA 0.251 4.991 4.740 0.000 0.000 0.338 326 N C 0.728 176.074 175.510 -0.274 0.000 1.376 326 N CA -0.727 52.375 53.050 0.087 0.000 0.778 326 N CB 0.755 39.265 38.487 0.037 0.000 1.232 326 N HN 0.447 nan 8.380 nan 0.000 0.581 327 K N -0.448 119.760 120.400 -0.320 0.000 2.147 327 K HA -0.151 4.169 4.320 0.000 0.000 0.205 327 K C -0.543 175.716 176.600 -0.568 0.000 1.049 327 K CA 2.177 58.022 56.287 -0.737 0.000 0.936 327 K CB -0.191 32.180 32.500 -0.215 0.000 0.722 327 K HN 0.708 nan 8.250 nan 0.000 0.446 328 D N -1.253 118.961 120.400 -0.309 0.000 2.996 328 D HA 0.117 4.757 4.640 0.000 0.000 0.343 328 D C -1.124 175.089 176.300 -0.145 0.000 1.574 328 D CA -0.470 53.411 54.000 -0.200 0.000 0.773 328 D CB 0.922 41.650 40.800 -0.120 0.000 1.241 328 D HN -0.157 nan 8.370 nan 0.000 0.469 329 T N -0.064 114.381 114.554 -0.182 0.000 3.578 329 T HA 0.429 4.779 4.350 0.000 0.000 0.343 329 T C -0.996 173.545 174.700 -0.265 0.000 1.126 329 T CA -0.444 61.544 62.100 -0.186 0.000 1.092 329 T CB 1.874 70.673 68.868 -0.115 0.000 1.160 329 T HN -0.071 nan 8.240 nan 0.000 0.469 330 T N 2.584 116.844 114.554 -0.490 0.000 2.824 330 T HA 0.707 5.057 4.350 0.000 0.000 0.280 330 T C -0.140 174.195 174.700 -0.608 0.000 0.995 330 T CA -0.567 61.157 62.100 -0.626 0.000 1.009 330 T CB 1.485 69.691 68.868 -1.104 0.000 0.955 330 T HN 0.641 nan 8.240 nan 0.000 0.452 331 T N 3.543 117.904 114.554 -0.321 0.000 3.050 331 T HA 0.539 4.889 4.350 0.000 0.000 0.310 331 T C -0.543 174.102 174.700 -0.091 0.000 0.978 331 T CA -0.690 61.298 62.100 -0.187 0.000 1.013 331 T CB -0.018 68.777 68.868 -0.122 0.000 1.000 331 T HN 0.481 nan 8.240 nan 0.000 0.447 332 I N 5.725 126.276 120.570 -0.030 0.000 2.395 332 I HA 0.430 4.600 4.170 0.000 0.000 0.289 332 I C -0.026 176.095 176.117 0.006 0.000 1.023 332 I CA -0.751 60.557 61.300 0.014 0.000 1.350 332 I CB 1.144 39.189 38.000 0.074 0.000 1.409 332 I HN 0.572 nan 8.210 nan 0.000 0.507 333 I N 5.586 126.154 120.570 -0.003 0.000 2.418 333 I HA 0.266 4.436 4.170 0.000 0.000 0.287 333 I C -0.663 175.449 176.117 -0.008 0.000 1.008 333 I CA -0.586 60.710 61.300 -0.007 0.000 1.104 333 I CB 1.455 39.446 38.000 -0.015 0.000 1.264 333 I HN 0.585 nan 8.210 nan 0.000 0.438 334 D N 4.881 125.279 120.400 -0.005 0.000 4.844 334 D HA -0.111 4.529 4.640 0.000 0.000 0.239 334 D C -0.255 176.041 176.300 -0.007 0.000 1.115 334 D CA 0.890 54.886 54.000 -0.007 0.000 1.241 334 D CB 0.132 40.924 40.800 -0.014 0.000 0.748 334 D HN 0.854 nan 8.370 nan 0.000 0.368 335 G N 1.721 110.521 108.800 -0.000 0.000 2.371 335 G HA2 0.486 4.446 3.960 0.000 0.000 0.326 335 G HA3 0.486 4.446 3.960 0.000 0.000 0.326 335 G C 1.202 176.101 174.900 -0.001 0.000 1.127 335 G CA -0.537 44.564 45.100 0.002 0.000 0.885 335 G HN 0.366 nan 8.290 nan 0.000 0.477 336 V N 2.129 122.041 119.914 -0.003 0.000 3.546 336 V HA 0.048 4.168 4.120 0.000 0.000 0.272 336 V C 1.924 178.021 176.094 0.006 0.000 1.228 336 V CA 0.560 62.859 62.300 -0.002 0.000 1.184 336 V CB -1.215 30.606 31.823 -0.003 0.000 0.886 336 V HN 0.754 nan 8.190 nan 0.000 0.508 337 G N 0.846 109.651 108.800 0.008 0.000 2.353 337 G HA2 0.128 4.088 3.960 0.000 0.000 0.239 337 G HA3 0.128 4.088 3.960 0.000 0.000 0.239 337 G C 0.043 174.946 174.900 0.006 0.000 1.295 337 G CA -0.361 44.745 45.100 0.009 0.000 0.884 337 G HN 0.331 nan 8.290 nan 0.000 0.537 338 E N 2.178 122.382 120.200 0.006 0.000 2.415 338 E HA -0.028 4.322 4.350 0.000 0.000 0.260 338 E C 1.334 177.935 176.600 0.002 0.000 1.016 338 E CA -0.074 56.329 56.400 0.004 0.000 0.924 338 E CB 0.750 30.453 29.700 0.004 0.000 0.961 338 E HN 0.615 nan 8.360 nan 0.000 0.459 339 E N 2.096 122.297 120.200 0.001 0.000 2.333 339 E HA -0.207 4.143 4.350 0.000 0.000 0.200 339 E C 1.269 177.869 176.600 -0.000 0.000 1.010 339 E CA 1.197 57.597 56.400 0.000 0.000 0.841 339 E CB -0.021 29.678 29.700 -0.001 0.000 0.757 339 E HN 0.504 nan 8.360 nan 0.000 0.508 340 A N 0.770 123.590 122.820 0.000 0.000 2.063 340 A HA 0.393 4.713 4.320 0.000 0.000 0.211 340 A C 2.292 179.875 177.584 -0.001 0.000 1.177 340 A CA 0.760 52.797 52.037 -0.001 0.000 0.759 340 A CB 0.066 19.066 19.000 -0.000 0.000 0.857 340 A HN 0.238 nan 8.150 nan 0.000 0.468 341 A N 0.310 123.130 122.820 -0.000 0.000 1.898 341 A HA 0.078 4.398 4.320 0.000 0.000 0.214 341 A C 2.013 179.596 177.584 -0.002 0.000 1.183 341 A CA 1.205 53.242 52.037 -0.000 0.000 0.622 341 A CB -0.499 18.502 19.000 0.001 0.000 0.824 341 A HN 0.426 nan 8.150 nan 0.000 0.444 342 I N -0.665 119.904 120.570 -0.001 0.000 2.142 342 I HA -0.275 3.895 4.170 0.000 0.000 0.240 342 I C 2.728 178.843 176.117 -0.003 0.000 1.078 342 I CA 1.804 63.103 61.300 -0.002 0.000 1.343 342 I CB -0.349 37.651 38.000 0.000 0.000 1.046 342 I HN 0.359 nan 8.210 nan 0.000 0.405 343 Q N 1.485 121.283 119.800 -0.003 0.000 2.197 343 Q HA -0.166 4.174 4.340 0.000 0.000 0.207 343 Q C 1.976 177.973 176.000 -0.005 0.000 0.984 343 Q CA 2.062 57.863 55.803 -0.004 0.000 0.869 343 Q CB -0.735 28.001 28.738 -0.003 0.000 0.906 343 Q HN 0.511 nan 8.270 nan 0.000 0.426 344 G N -0.528 108.269 108.800 -0.005 0.000 2.448 344 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 344 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 344 G C 1.550 176.445 174.900 -0.008 0.000 1.135 344 G CA 0.628 45.725 45.100 -0.006 0.000 0.784 344 G HN 0.331 nan 8.290 nan 0.000 0.543 345 R N 0.379 120.874 120.500 -0.008 0.000 2.073 345 R HA 0.060 4.400 4.340 0.000 0.000 0.229 345 R C 2.430 178.723 176.300 -0.013 0.000 1.120 345 R CA 1.106 57.200 56.100 -0.011 0.000 0.967 345 R CB -0.846 29.447 30.300 -0.011 0.000 0.862 345 R HN 0.132 nan 8.270 nan 0.000 0.436 346 V N 1.351 121.259 119.914 -0.011 0.000 2.688 346 V HA -0.214 3.906 4.120 0.000 0.000 0.256 346 V C 2.255 178.342 176.094 -0.012 0.000 1.084 346 V CA 1.670 63.963 62.300 -0.012 0.000 1.103 346 V CB -0.975 30.842 31.823 -0.009 0.000 0.688 346 V HN 0.520 nan 8.190 nan 0.000 0.480 347 A N -0.473 122.340 122.820 -0.011 0.000 1.832 347 A HA -0.263 4.057 4.320 0.000 0.000 0.214 347 A C 2.194 179.771 177.584 -0.012 0.000 1.200 347 A CA 1.826 53.857 52.037 -0.010 0.000 0.610 347 A CB -0.543 18.452 19.000 -0.009 0.000 0.842 347 A HN 0.544 nan 8.150 nan 0.000 0.444 348 Q N -0.494 119.298 119.800 -0.013 0.000 2.096 348 Q HA -0.203 4.137 4.340 0.000 0.000 0.208 348 Q C 2.099 178.088 176.000 -0.019 0.000 0.993 348 Q CA 1.878 57.672 55.803 -0.015 0.000 0.862 348 Q CB -0.457 28.271 28.738 -0.016 0.000 0.915 348 Q HN 0.753 nan 8.270 nan 0.000 0.416 349 I N 0.118 120.675 120.570 -0.021 0.000 2.361 349 I HA -0.268 3.902 4.170 0.000 0.000 0.251 349 I C 2.208 178.311 176.117 -0.023 0.000 1.133 349 I CA 1.140 62.426 61.300 -0.025 0.000 1.413 349 I CB -0.246 37.739 38.000 -0.026 0.000 1.073 349 I HN 0.137 nan 8.210 nan 0.000 0.424 350 R N -0.017 120.472 120.500 -0.019 0.000 2.236 350 R HA -0.054 4.286 4.340 0.000 0.000 0.208 350 R C 2.227 178.518 176.300 -0.015 0.000 1.036 350 R CA 0.456 56.546 56.100 -0.017 0.000 1.001 350 R CB 0.069 30.361 30.300 -0.013 0.000 0.896 350 R HN 0.389 nan 8.270 nan 0.000 0.464 351 Q N 0.522 120.313 119.800 -0.015 0.000 2.061 351 Q HA -0.086 4.254 4.340 0.000 0.000 0.195 351 Q C 1.846 177.836 176.000 -0.015 0.000 0.967 351 Q CA 1.271 57.066 55.803 -0.013 0.000 0.829 351 Q CB 0.053 28.784 28.738 -0.012 0.000 0.900 351 Q HN 0.398 nan 8.270 nan 0.000 0.450 352 Q N 0.216 120.005 119.800 -0.019 0.000 2.368 352 Q HA -0.099 4.241 4.340 0.000 0.000 0.210 352 Q C 1.970 177.956 176.000 -0.023 0.000 0.982 352 Q CA 0.715 56.505 55.803 -0.022 0.000 0.884 352 Q CB -0.078 28.643 28.738 -0.027 0.000 0.933 352 Q HN 0.379 nan 8.270 nan 0.000 0.460 353 I N 0.314 120.871 120.570 -0.022 0.000 2.333 353 I HA -0.202 3.968 4.170 0.000 0.000 0.246 353 I C 2.074 178.181 176.117 -0.016 0.000 1.106 353 I CA 0.731 62.018 61.300 -0.022 0.000 1.411 353 I CB -0.106 37.881 38.000 -0.022 0.000 1.082 353 I HN 0.170 nan 8.210 nan 0.000 0.420 354 E N 1.273 121.465 120.200 -0.013 0.000 2.047 354 E HA -0.179 4.171 4.350 0.000 0.000 0.191 354 E C 1.229 177.824 176.600 -0.008 0.000 0.987 354 E CA 1.036 57.431 56.400 -0.009 0.000 0.799 354 E CB -0.372 29.323 29.700 -0.008 0.000 0.752 354 E HN 0.567 nan 8.360 nan 0.000 0.449 355 E N 0.959 121.154 120.200 -0.009 0.000 2.441 355 E HA 0.199 4.549 4.350 0.000 0.000 0.210 355 E C -0.325 176.270 176.600 -0.008 0.000 1.306 355 E CA -0.232 56.164 56.400 -0.008 0.000 1.307 355 E CB -0.020 29.675 29.700 -0.009 0.000 1.297 355 E HN 0.053 nan 8.360 nan 0.000 0.440 356 A N 1.537 124.353 122.820 -0.007 0.000 2.341 356 A HA 0.175 4.495 4.320 0.000 0.000 0.326 356 A C 0.834 178.419 177.584 0.003 0.000 1.402 356 A CA -0.772 51.262 52.037 -0.005 0.000 0.957 356 A CB 0.066 19.059 19.000 -0.011 0.000 1.151 356 A HN 0.199 nan 8.150 nan 0.000 0.533 357 T N -0.580 113.978 114.554 0.007 0.000 3.418 357 T HA 0.442 4.792 4.350 0.000 0.000 0.239 357 T C 0.327 175.040 174.700 0.021 0.000 0.905 357 T CA 0.343 62.450 62.100 0.011 0.000 0.929 357 T CB -0.750 68.124 68.868 0.010 0.000 1.121 357 T HN 0.819 nan 8.240 nan 0.000 0.608 358 S N -0.992 114.723 115.700 0.025 0.000 2.655 358 S HA 0.303 4.773 4.470 0.000 0.000 0.266 358 S C -0.573 174.053 174.600 0.043 0.000 1.149 358 S CA -0.480 57.745 58.200 0.043 0.000 0.818 358 S CB 1.437 64.678 63.200 0.068 0.000 1.130 358 S HN 0.264 nan 8.310 nan 0.000 0.476 359 D N -0.408 120.033 120.400 0.068 0.000 2.566 359 D HA -0.002 4.638 4.640 0.000 0.000 0.253 359 D C 1.581 177.931 176.300 0.083 0.000 0.992 359 D CA 0.560 54.597 54.000 0.062 0.000 0.940 359 D CB -0.245 40.593 40.800 0.064 0.000 1.095 359 D HN 0.529 nan 8.370 nan 0.000 0.480 360 Y N 2.385 122.686 120.300 0.002 0.000 2.081 360 Y HA -0.238 4.312 4.550 0.000 0.000 0.280 360 Y C 1.492 177.391 175.900 -0.002 0.000 1.163 360 Y CA 2.565 60.668 58.100 0.003 0.000 1.135 360 Y CB -0.641 37.822 38.460 0.006 0.000 0.970 360 Y HN -0.079 nan 8.280 nan 0.000 0.498 361 D N -0.452 119.945 120.400 -0.006 0.000 2.315 361 D HA -0.186 4.454 4.640 0.000 0.000 0.211 361 D C 2.152 178.371 176.300 -0.135 0.000 0.977 361 D CA 1.400 55.338 54.000 -0.104 0.000 0.894 361 D CB -0.185 40.620 40.800 0.008 0.000 0.910 361 D HN 0.400 nan 8.370 nan 0.000 0.490 362 R N 0.369 120.811 120.500 -0.097 0.000 2.055 362 R HA 0.006 4.346 4.340 0.000 0.000 0.221 362 R C 1.882 178.120 176.300 -0.104 0.000 1.154 362 R CA 0.616 56.670 56.100 -0.077 0.000 0.975 362 R CB 0.094 30.373 30.300 -0.035 0.000 0.869 362 R HN 0.072 nan 8.270 nan 0.000 0.437 363 E N 0.530 120.665 120.200 -0.108 0.000 2.136 363 E HA -0.252 4.098 4.350 0.000 0.000 0.202 363 E C 1.914 178.429 176.600 -0.142 0.000 1.019 363 E CA 1.364 57.703 56.400 -0.101 0.000 0.819 363 E CB 0.059 29.713 29.700 -0.077 0.000 0.739 363 E HN 0.147 nan 8.360 nan 0.000 0.458 364 K N 0.462 120.712 120.400 -0.252 0.000 2.097 364 K HA -0.103 4.217 4.320 0.000 0.000 0.206 364 K C 2.130 178.643 176.600 -0.144 0.000 1.049 364 K CA 0.796 56.941 56.287 -0.237 0.000 0.933 364 K CB -0.296 31.980 32.500 -0.374 0.000 0.717 364 K HN 0.254 nan 8.250 nan 0.000 0.442 365 L N 0.841 121.987 121.223 -0.129 0.000 2.376 365 L HA -0.130 4.210 4.340 0.000 0.000 0.219 365 L C 2.367 179.201 176.870 -0.061 0.000 1.133 365 L CA 0.843 55.632 54.840 -0.085 0.000 0.816 365 L CB -0.223 41.793 42.059 -0.073 0.000 0.933 365 L HN 0.257 nan 8.230 nan 0.000 0.449 366 Q N -0.238 119.526 119.800 -0.060 0.000 2.123 366 Q HA -0.149 4.191 4.340 0.000 0.000 0.196 366 Q C 1.901 177.881 176.000 -0.033 0.000 0.958 366 Q CA 0.869 56.648 55.803 -0.040 0.000 0.841 366 Q CB 0.097 28.815 28.738 -0.034 0.000 0.915 366 Q HN 0.511 nan 8.270 nan 0.000 0.455 367 E N 0.789 120.966 120.200 -0.040 0.000 2.118 367 E HA -0.201 4.149 4.350 0.000 0.000 0.195 367 E C 2.036 178.624 176.600 -0.019 0.000 0.992 367 E CA 0.864 57.249 56.400 -0.025 0.000 0.804 367 E CB 0.030 29.714 29.700 -0.027 0.000 0.741 367 E HN 0.206 nan 8.360 nan 0.000 0.458 368 R N 0.160 120.641 120.500 -0.032 0.000 2.075 368 R HA -0.127 4.213 4.340 0.000 0.000 0.232 368 R C 2.648 178.937 176.300 -0.018 0.000 1.126 368 R CA 1.542 57.626 56.100 -0.027 0.000 0.963 368 R CB -0.330 29.945 30.300 -0.041 0.000 0.858 368 R HN 0.191 nan 8.270 nan 0.000 0.435 369 V N -2.013 117.888 119.914 -0.021 0.000 2.548 369 V HA -0.034 4.086 4.120 0.000 0.000 0.249 369 V C 2.235 178.324 176.094 -0.008 0.000 1.055 369 V CA 1.567 63.858 62.300 -0.015 0.000 1.065 369 V CB -0.899 30.914 31.823 -0.016 0.000 0.681 369 V HN 0.246 nan 8.190 nan 0.000 0.462 370 A N 0.918 123.733 122.820 -0.008 0.000 1.908 370 A HA -0.213 4.107 4.320 0.000 0.000 0.218 370 A C 2.343 179.929 177.584 0.003 0.000 1.181 370 A CA 2.423 54.458 52.037 -0.003 0.000 0.627 370 A CB -0.540 18.458 19.000 -0.003 0.000 0.818 370 A HN 0.644 nan 8.150 nan 0.000 0.445 371 K N -1.180 119.224 120.400 0.008 0.000 1.991 371 K HA -0.008 4.312 4.320 0.000 0.000 0.207 371 K C 1.771 178.381 176.600 0.016 0.000 1.045 371 K CA 1.170 57.468 56.287 0.019 0.000 0.937 371 K CB -0.438 32.082 32.500 0.033 0.000 0.720 371 K HN 0.322 nan 8.250 nan 0.000 0.438 372 L N 0.579 121.808 121.223 0.009 0.000 2.450 372 L HA -0.112 4.228 4.340 0.000 0.000 0.224 372 L C 1.622 178.493 176.870 0.003 0.000 1.149 372 L CA 1.317 56.161 54.840 0.006 0.000 0.816 372 L CB -0.295 41.763 42.059 -0.002 0.000 0.932 372 L HN 0.182 nan 8.230 nan 0.000 0.449 373 A N -2.312 120.509 122.820 0.002 0.000 2.138 373 A HA 0.379 4.699 4.320 0.000 0.000 0.203 373 A C 2.096 179.680 177.584 0.000 0.000 1.286 373 A CA 0.401 52.437 52.037 -0.000 0.000 0.929 373 A CB -0.615 18.383 19.000 -0.003 0.000 0.975 373 A HN 0.325 nan 8.150 nan 0.000 0.480 374 G N -0.139 108.661 108.800 0.001 0.000 2.534 374 G HA2 0.372 4.332 3.960 0.000 0.000 0.217 374 G HA3 0.372 4.332 3.960 0.000 0.000 0.217 374 G C 1.183 176.083 174.900 0.000 0.000 1.128 374 G CA 0.784 45.884 45.100 0.000 0.000 0.784 374 G HN 1.562 nan 8.290 nan 0.000 0.542 375 G N -1.289 107.513 108.800 0.003 0.000 2.633 375 G HA2 -0.092 3.868 3.960 0.000 0.000 0.263 375 G HA3 -0.092 3.868 3.960 0.000 0.000 0.263 375 G C -0.409 174.492 174.900 0.000 0.000 1.310 375 G CA 0.012 45.114 45.100 0.003 0.000 0.914 375 G HN 1.033 nan 8.290 nan 0.000 0.569 376 V N 0.026 119.938 119.914 -0.003 0.000 2.709 376 V HA 0.756 4.876 4.120 0.000 0.000 0.308 376 V C 0.756 176.842 176.094 -0.012 0.000 1.062 376 V CA -0.180 62.115 62.300 -0.009 0.000 0.901 376 V CB 1.451 33.268 31.823 -0.010 0.000 1.003 376 V HN 2.053 nan 8.190 nan 0.000 0.425 377 A N 3.310 126.120 122.820 -0.016 0.000 2.354 377 A HA 0.750 5.070 4.320 0.000 0.000 0.269 377 A C -0.457 177.116 177.584 -0.019 0.000 1.109 377 A CA -0.323 51.703 52.037 -0.017 0.000 0.800 377 A CB 0.874 19.862 19.000 -0.020 0.000 1.045 377 A HN 0.922 nan 8.150 nan 0.000 0.489 378 V N 4.729 124.633 119.914 -0.017 0.000 2.443 378 V HA 0.196 4.316 4.120 0.000 0.000 0.272 378 V C -0.316 175.769 176.094 -0.015 0.000 1.002 378 V CA -0.078 62.212 62.300 -0.017 0.000 0.840 378 V CB 0.549 32.363 31.823 -0.015 0.000 1.042 378 V HN 0.761 nan 8.190 nan 0.000 0.446 379 I N 3.848 124.407 120.570 -0.017 0.000 2.556 379 I HA 0.256 4.426 4.170 0.000 0.000 0.284 379 I C 0.468 176.578 176.117 -0.012 0.000 1.114 379 I CA 0.135 61.427 61.300 -0.014 0.000 1.418 379 I CB 0.633 38.624 38.000 -0.016 0.000 1.394 379 I HN 0.440 nan 8.210 nan 0.000 0.552 380 K N 6.064 126.458 120.400 -0.009 0.000 2.473 380 K HA 0.382 4.702 4.320 0.000 0.000 0.246 380 K C -0.968 175.628 176.600 -0.006 0.000 1.011 380 K CA -0.656 55.626 56.287 -0.008 0.000 0.984 380 K CB 1.675 34.170 32.500 -0.007 0.000 1.250 380 K HN 0.330 nan 8.250 nan 0.000 0.454 381 V N 2.333 122.244 119.914 -0.005 0.000 2.540 381 V HA 0.080 4.200 4.120 0.000 0.000 0.297 381 V C 0.954 177.046 176.094 -0.003 0.000 1.024 381 V CA 0.004 62.301 62.300 -0.004 0.000 1.105 381 V CB 0.636 32.458 31.823 -0.002 0.000 0.938 381 V HN 0.861 nan 8.190 nan 0.000 0.482 382 G N 2.848 111.646 108.800 -0.003 0.000 2.432 382 G HA2 0.842 4.802 3.960 0.000 0.000 0.331 382 G HA3 0.842 4.802 3.960 0.000 0.000 0.331 382 G C -0.539 174.360 174.900 -0.002 0.000 1.170 382 G CA 0.054 45.153 45.100 -0.003 0.000 0.943 382 G HN 1.182 nan 8.290 nan 0.000 0.483 383 A N -0.258 122.560 122.820 -0.002 0.000 2.534 383 A HA 0.843 5.163 4.320 0.000 0.000 0.300 383 A C 0.843 178.426 177.584 -0.002 0.000 1.223 383 A CA 0.424 52.460 52.037 -0.002 0.000 0.666 383 A CB 0.516 19.515 19.000 -0.001 0.000 1.316 383 A HN 1.745 nan 8.150 nan 0.000 0.468 384 A N -0.891 121.928 122.820 -0.001 0.000 1.943 384 A HA 0.461 4.781 4.320 0.000 0.000 0.213 384 A C 1.236 178.819 177.584 -0.001 0.000 1.181 384 A CA 2.179 54.215 52.037 -0.001 0.000 0.653 384 A CB -0.531 18.469 19.000 -0.001 0.000 0.833 384 A HN 1.953 nan 8.150 nan 0.000 0.451 385 T N -4.495 110.059 114.554 -0.001 0.000 2.907 385 T HA 0.458 4.808 4.350 0.000 0.000 0.290 385 T C 0.565 175.265 174.700 -0.001 0.000 1.066 385 T CA 0.082 62.181 62.100 -0.001 0.000 1.012 385 T CB 1.817 70.684 68.868 -0.001 0.000 1.184 385 T HN 0.219 nan 8.240 nan 0.000 0.522 386 E N -0.011 120.189 120.200 -0.000 0.000 2.051 386 E HA -0.138 4.212 4.350 0.000 0.000 0.192 386 E C 1.955 178.555 176.600 0.000 0.000 0.991 386 E CA 1.496 57.896 56.400 -0.000 0.000 0.799 386 E CB -0.243 29.457 29.700 0.000 0.000 0.748 386 E HN 0.518 nan 8.360 nan 0.000 0.449 387 V N 1.613 121.527 119.914 0.000 0.000 2.233 387 V HA -0.293 3.827 4.120 0.000 0.000 0.247 387 V C 2.300 178.394 176.094 0.001 0.000 1.050 387 V CA 2.301 64.601 62.300 0.001 0.000 1.010 387 V CB -0.694 31.130 31.823 0.000 0.000 0.637 387 V HN 0.327 nan 8.190 nan 0.000 0.444 388 E N -0.645 119.555 120.200 0.000 0.000 2.086 388 E HA -0.305 4.045 4.350 0.000 0.000 0.200 388 E C 2.184 178.784 176.600 0.000 0.000 1.012 388 E CA 1.893 58.293 56.400 -0.000 0.000 0.812 388 E CB -0.245 29.455 29.700 -0.001 0.000 0.743 388 E HN 0.452 nan 8.360 nan 0.000 0.453 389 M N 1.108 120.708 119.600 0.000 0.000 2.091 389 M HA -0.168 4.312 4.480 0.000 0.000 0.259 389 M C 1.884 178.185 176.300 0.001 0.000 1.076 389 M CA 1.607 56.907 55.300 0.000 0.000 1.111 389 M CB -0.441 32.159 32.600 -0.000 0.000 1.291 389 M HN -0.153 nan 8.290 nan 0.000 0.417 390 K N 0.497 120.898 120.400 0.001 0.000 2.242 390 K HA -0.215 4.106 4.320 0.000 0.000 0.206 390 K C 1.917 178.519 176.600 0.003 0.000 1.045 390 K CA 1.361 57.649 56.287 0.002 0.000 0.930 390 K CB -0.545 31.956 32.500 0.002 0.000 0.726 390 K HN 0.499 nan 8.250 nan 0.000 0.462 391 E N 1.096 121.298 120.200 0.003 0.000 2.060 391 E HA -0.111 4.239 4.350 0.000 0.000 0.189 391 E C 1.924 178.526 176.600 0.004 0.000 0.974 391 E CA 0.922 57.323 56.400 0.003 0.000 0.808 391 E CB 0.089 29.790 29.700 0.002 0.000 0.768 391 E HN 0.206 nan 8.360 nan 0.000 0.453 392 K N 1.191 121.592 120.400 0.003 0.000 2.026 392 K HA -0.172 4.148 4.320 0.000 0.000 0.208 392 K C 2.270 178.872 176.600 0.004 0.000 1.048 392 K CA 1.712 58.000 56.287 0.003 0.000 0.929 392 K CB -0.185 32.316 32.500 0.001 0.000 0.713 392 K HN -0.081 nan 8.250 nan 0.000 0.439 393 K N -0.010 120.393 120.400 0.004 0.000 2.362 393 K HA -0.144 4.176 4.320 0.000 0.000 0.202 393 K C 1.488 178.094 176.600 0.010 0.000 1.045 393 K CA 1.198 57.488 56.287 0.005 0.000 0.936 393 K CB -0.066 32.437 32.500 0.004 0.000 0.747 393 K HN 0.266 nan 8.250 nan 0.000 0.467 394 A N 0.576 123.403 122.820 0.010 0.000 2.081 394 A HA 0.047 4.367 4.320 0.000 0.000 0.214 394 A C 1.887 179.481 177.584 0.018 0.000 1.158 394 A CA 0.364 52.410 52.037 0.015 0.000 0.724 394 A CB -0.035 18.971 19.000 0.010 0.000 0.826 394 A HN 0.266 nan 8.150 nan 0.000 0.463 395 R N -0.906 119.602 120.500 0.013 0.000 2.090 395 R HA 0.047 4.387 4.340 0.000 0.000 0.219 395 R C 1.873 178.183 176.300 0.017 0.000 1.100 395 R CA 1.078 57.187 56.100 0.014 0.000 0.991 395 R CB -0.256 30.049 30.300 0.008 0.000 0.893 395 R HN 0.309 nan 8.270 nan 0.000 0.443 396 V N 1.345 121.266 119.914 0.011 0.000 2.490 396 V HA -0.234 3.886 4.120 0.000 0.000 0.250 396 V C 2.076 178.176 176.094 0.010 0.000 1.061 396 V CA 1.788 64.092 62.300 0.007 0.000 1.064 396 V CB -0.375 31.449 31.823 0.001 0.000 0.670 396 V HN 0.365 nan 8.190 nan 0.000 0.461 397 E N -0.571 119.642 120.200 0.022 0.000 2.112 397 E HA -0.176 4.174 4.350 0.000 0.000 0.190 397 E C 1.719 178.375 176.600 0.094 0.000 0.979 397 E CA 0.840 57.264 56.400 0.041 0.000 0.814 397 E CB 0.060 29.788 29.700 0.046 0.000 0.762 397 E HN 0.557 nan 8.360 nan 0.000 0.460 398 D N -0.807 119.640 120.400 0.079 0.000 2.348 398 D HA 0.031 4.671 4.640 0.000 0.000 0.211 398 D C 1.224 177.576 176.300 0.087 0.000 0.998 398 D CA 0.397 54.455 54.000 0.096 0.000 0.873 398 D CB 0.605 41.434 40.800 0.048 0.000 0.925 398 D HN 0.162 nan 8.370 nan 0.000 0.524 399 A N 0.373 123.226 122.820 0.056 0.000 2.063 399 A HA 0.025 4.345 4.320 0.000 0.000 0.211 399 A C 1.925 179.528 177.584 0.031 0.000 1.177 399 A CA 0.033 52.094 52.037 0.039 0.000 0.759 399 A CB -0.124 18.887 19.000 0.019 0.000 0.857 399 A HN 0.164 nan 8.150 nan 0.000 0.468 400 L N -0.845 120.384 121.223 0.011 0.000 2.275 400 L HA -0.108 4.232 4.340 0.000 0.000 0.215 400 L C 2.095 178.921 176.870 -0.073 0.000 1.119 400 L CA 1.731 56.543 54.840 -0.046 0.000 0.790 400 L CB -0.549 41.456 42.059 -0.090 0.000 0.919 400 L HN 0.478 nan 8.230 nan 0.000 0.443 401 H N -1.193 117.876 119.070 -0.002 0.000 2.415 401 H HA 0.184 4.740 4.556 0.000 0.000 0.297 401 H C 2.101 177.429 175.328 0.001 0.000 1.048 401 H CA 1.077 57.125 56.048 -0.001 0.000 1.365 401 H CB 0.114 29.875 29.762 -0.002 0.000 1.421 401 H HN 0.438 nan 8.280 nan 0.000 0.533 402 A N 0.071 122.970 122.820 0.131 0.000 1.969 402 A HA -0.122 4.198 4.320 0.000 0.000 0.218 402 A C 2.554 180.167 177.584 0.049 0.000 1.169 402 A CA 1.781 53.863 52.037 0.074 0.000 0.635 402 A CB -0.682 18.348 19.000 0.049 0.000 0.810 402 A HN 0.323 nan 8.150 nan 0.000 0.445 403 T N -0.593 113.982 114.554 0.035 0.000 2.668 403 T HA -0.112 4.238 4.350 0.000 0.000 0.262 403 T C 2.146 176.855 174.700 0.015 0.000 1.045 403 T CA 1.203 63.313 62.100 0.016 0.000 1.152 403 T CB -0.246 68.623 68.868 0.001 0.000 0.864 403 T HN 0.319 nan 8.240 nan 0.000 0.419 404 R N 1.172 121.677 120.500 0.008 0.000 2.153 404 R HA -0.086 4.254 4.340 0.000 0.000 0.252 404 R C 2.492 178.809 176.300 0.028 0.000 1.158 404 R CA 1.557 57.662 56.100 0.009 0.000 0.975 404 R CB -1.069 29.232 30.300 0.001 0.000 0.871 404 R HN 0.455 nan 8.270 nan 0.000 0.450 405 A N 0.048 122.895 122.820 0.045 0.000 2.015 405 A HA 0.028 4.348 4.320 0.000 0.000 0.219 405 A C 2.229 179.831 177.584 0.031 0.000 1.163 405 A CA 1.573 53.637 52.037 0.044 0.000 0.646 405 A CB -0.232 18.800 19.000 0.053 0.000 0.806 405 A HN 0.372 nan 8.150 nan 0.000 0.448 406 A N -0.986 121.849 122.820 0.025 0.000 1.871 406 A HA 0.187 4.507 4.320 0.000 0.000 0.211 406 A C 2.091 179.684 177.584 0.015 0.000 1.207 406 A CA 1.087 53.135 52.037 0.019 0.000 0.620 406 A CB -0.899 18.111 19.000 0.016 0.000 0.860 406 A HN 0.294 nan 8.150 nan 0.000 0.450 407 V N 0.702 120.623 119.914 0.013 0.000 2.370 407 V HA -0.346 3.774 4.120 0.000 0.000 0.252 407 V C 2.481 178.582 176.094 0.011 0.000 1.068 407 V CA 2.625 64.931 62.300 0.009 0.000 1.061 407 V CB -0.688 31.138 31.823 0.005 0.000 0.656 407 V HN 0.649 nan 8.190 nan 0.000 0.455 408 E N -0.726 119.483 120.200 0.015 0.000 2.028 408 E HA -0.155 4.195 4.350 0.000 0.000 0.190 408 E C 1.691 178.300 176.600 0.015 0.000 0.984 408 E CA 1.392 57.801 56.400 0.016 0.000 0.800 408 E CB -0.011 29.701 29.700 0.021 0.000 0.758 408 E HN 0.666 nan 8.360 nan 0.000 0.448 409 E N -0.691 119.519 120.200 0.017 0.000 2.676 409 E HA 0.240 4.590 4.350 0.000 0.000 0.222 409 E C 0.113 176.722 176.600 0.014 0.000 0.968 409 E CA 0.088 56.497 56.400 0.015 0.000 1.090 409 E CB 1.675 31.384 29.700 0.015 0.000 1.066 409 E HN 0.246 nan 8.360 nan 0.000 0.496 410 G N 1.150 109.959 108.800 0.015 0.000 2.698 410 G HA2 -0.176 3.784 3.960 0.000 0.000 0.225 410 G HA3 -0.176 3.784 3.960 0.000 0.000 0.225 410 G C -0.448 174.461 174.900 0.015 0.000 1.345 410 G CA -0.488 44.620 45.100 0.014 0.000 0.871 410 G HN 0.532 nan 8.290 nan 0.000 0.540 411 V N -2.348 117.575 119.914 0.015 0.000 3.040 411 V HA 0.999 5.119 4.120 0.000 0.000 0.312 411 V C 0.473 176.576 176.094 0.016 0.000 1.115 411 V CA 0.421 62.730 62.300 0.015 0.000 0.998 411 V CB 1.466 33.297 31.823 0.014 0.000 1.042 411 V HN 2.575 nan 8.190 nan 0.000 0.433 412 V N -0.087 119.837 119.914 0.016 0.000 3.156 412 V HA 1.025 5.145 4.120 0.000 0.000 0.310 412 V C 0.429 176.533 176.094 0.016 0.000 1.234 412 V CA -0.650 61.661 62.300 0.018 0.000 1.065 412 V CB 1.286 33.121 31.823 0.019 0.000 1.088 412 V HN 2.265 nan 8.190 nan 0.000 0.451 413 A N 0.537 123.368 122.820 0.018 0.000 2.520 413 A HA 0.669 4.989 4.320 0.000 0.000 0.245 413 A C 0.824 178.413 177.584 0.007 0.000 1.072 413 A CA 0.599 52.643 52.037 0.013 0.000 0.761 413 A CB -0.500 18.511 19.000 0.018 0.000 1.004 413 A HN 1.979 nan 8.150 nan 0.000 0.499 414 G N 0.698 109.497 108.800 -0.002 0.000 2.531 414 G HA2 0.504 4.464 3.960 0.000 0.000 0.253 414 G HA3 0.504 4.464 3.960 0.000 0.000 0.253 414 G C 1.142 176.038 174.900 -0.007 0.000 1.439 414 G CA -0.036 45.062 45.100 -0.004 0.000 1.056 414 G HN 2.222 nan 8.290 nan 0.000 0.555 415 G N -1.876 106.918 108.800 -0.009 0.000 2.233 415 G HA2 0.183 4.143 3.960 0.000 0.000 0.270 415 G HA3 0.183 4.143 3.960 0.000 0.000 0.270 415 G C 1.571 176.476 174.900 0.008 0.000 1.011 415 G CA 1.282 46.379 45.100 -0.005 0.000 0.762 415 G HN 2.441 nan 8.290 nan 0.000 0.511 416 G N -2.236 106.569 108.800 0.008 0.000 2.196 416 G HA2 -0.168 3.792 3.960 0.000 0.000 0.268 416 G HA3 -0.168 3.792 3.960 0.000 0.000 0.268 416 G C 1.979 176.889 174.900 0.016 0.000 0.975 416 G CA 2.169 47.276 45.100 0.012 0.000 0.648 416 G HN 2.236 nan 8.290 nan 0.000 0.538 417 V N -2.027 117.896 119.914 0.016 0.000 2.515 417 V HA 0.284 4.404 4.120 0.000 0.000 0.250 417 V C 2.854 178.965 176.094 0.028 0.000 1.058 417 V CA 2.030 64.344 62.300 0.022 0.000 1.064 417 V CB -0.998 30.834 31.823 0.016 0.000 0.675 417 V HN 1.415 nan 8.190 nan 0.000 0.461 418 A N 1.027 123.861 122.820 0.024 0.000 1.892 418 A HA -0.133 4.187 4.320 0.000 0.000 0.218 418 A C 2.256 179.856 177.584 0.026 0.000 1.188 418 A CA 2.441 54.494 52.037 0.026 0.000 0.631 418 A CB -0.795 18.218 19.000 0.021 0.000 0.822 418 A HN 0.603 nan 8.150 nan 0.000 0.447 419 L N -1.000 120.236 121.223 0.022 0.000 2.083 419 L HA -0.105 4.235 4.340 0.000 0.000 0.209 419 L C 2.471 179.355 176.870 0.022 0.000 1.083 419 L CA 1.308 56.160 54.840 0.020 0.000 0.752 419 L CB -0.317 41.753 42.059 0.017 0.000 0.899 419 L HN 0.481 nan 8.230 nan 0.000 0.433 420 I N -0.508 120.077 120.570 0.025 0.000 2.830 420 I HA -0.241 3.929 4.170 0.000 0.000 0.263 420 I C 2.637 178.776 176.117 0.036 0.000 1.230 420 I CA 0.556 61.873 61.300 0.028 0.000 1.480 420 I CB 0.044 38.061 38.000 0.028 0.000 1.095 420 I HN 0.207 nan 8.210 nan 0.000 0.455 421 R N 0.846 121.371 120.500 0.041 0.000 2.052 421 R HA -0.098 4.242 4.340 0.000 0.000 0.226 421 R C 2.108 178.430 176.300 0.036 0.000 1.145 421 R CA 2.388 58.517 56.100 0.048 0.000 0.952 421 R CB -1.055 29.278 30.300 0.055 0.000 0.847 421 R HN 0.294 nan 8.270 nan 0.000 0.431 422 V N -0.515 119.416 119.914 0.029 0.000 2.688 422 V HA -0.087 4.033 4.120 0.000 0.000 0.256 422 V C 2.206 178.311 176.094 0.019 0.000 1.084 422 V CA 1.701 64.014 62.300 0.022 0.000 1.103 422 V CB -1.455 30.378 31.823 0.017 0.000 0.688 422 V HN 0.381 nan 8.190 nan 0.000 0.480 423 A N 1.806 124.639 122.820 0.020 0.000 1.873 423 A HA -0.125 4.195 4.320 0.000 0.000 0.215 423 A C 2.583 180.178 177.584 0.018 0.000 1.186 423 A CA 2.251 54.298 52.037 0.017 0.000 0.616 423 A CB -0.956 18.055 19.000 0.017 0.000 0.823 423 A HN 0.856 nan 8.150 nan 0.000 0.442 424 S N -0.407 115.307 115.700 0.023 0.000 2.428 424 S HA -0.057 4.413 4.470 0.000 0.000 0.230 424 S C 1.539 176.151 174.600 0.020 0.000 1.014 424 S CA 1.280 59.494 58.200 0.023 0.000 0.957 424 S CB -0.314 62.905 63.200 0.031 0.000 0.784 424 S HN 0.510 nan 8.310 nan 0.000 0.499 425 K N 0.573 120.985 120.400 0.020 0.000 2.569 425 K HA 0.287 4.607 4.320 0.000 0.000 0.193 425 K C 0.089 176.696 176.600 0.012 0.000 1.026 425 K CA 0.232 56.529 56.287 0.017 0.000 1.093 425 K CB -0.162 32.349 32.500 0.019 0.000 0.849 425 K HN 0.450 nan 8.250 nan 0.000 0.509 426 L N -1.203 120.027 121.223 0.011 0.000 3.431 426 L HA 0.224 4.564 4.340 0.000 0.000 0.316 426 L C 1.194 178.068 176.870 0.007 0.000 1.305 426 L CA -0.176 54.669 54.840 0.008 0.000 0.995 426 L CB 0.818 42.882 42.059 0.008 0.000 1.411 426 L HN -0.032 nan 8.230 nan 0.000 0.610 427 A N -0.312 122.512 122.820 0.008 0.000 2.070 427 A HA -0.150 4.170 4.320 0.000 0.000 0.220 427 A C 1.378 178.965 177.584 0.005 0.000 1.159 427 A CA 1.612 53.653 52.037 0.007 0.000 0.656 427 A CB -0.162 18.843 19.000 0.007 0.000 0.800 427 A HN 0.379 nan 8.150 nan 0.000 0.453 428 D N -0.982 119.421 120.400 0.004 0.000 2.340 428 D HA 0.197 4.837 4.640 0.000 0.000 0.217 428 D C 0.075 176.376 176.300 0.003 0.000 1.081 428 D CA -0.269 53.733 54.000 0.003 0.000 0.842 428 D CB -0.041 40.761 40.800 0.003 0.000 0.934 428 D HN 0.313 nan 8.370 nan 0.000 0.511 429 L N 1.596 122.821 121.223 0.003 0.000 2.456 429 L HA 0.147 4.487 4.340 0.000 0.000 0.272 429 L C 0.177 177.049 176.870 0.002 0.000 1.189 429 L CA 0.606 55.447 54.840 0.003 0.000 0.846 429 L CB 0.210 42.271 42.059 0.003 0.000 1.111 429 L HN -0.193 nan 8.230 nan 0.000 0.475 430 R N 2.683 123.184 120.500 0.002 0.000 2.764 430 R HA 0.726 5.066 4.340 0.000 0.000 0.270 430 R C -0.533 175.767 176.300 0.001 0.000 1.014 430 R CA -0.452 55.648 56.100 0.001 0.000 0.904 430 R CB 1.518 31.819 30.300 0.001 0.000 1.236 430 R HN 0.797 nan 8.270 nan 0.000 0.466 431 G N -0.403 108.398 108.800 0.001 0.000 3.042 431 G HA2 0.295 4.255 3.960 0.000 0.000 0.278 431 G HA3 0.295 4.255 3.960 0.000 0.000 0.278 431 G C 0.172 175.072 174.900 0.001 0.000 1.371 431 G CA -0.352 44.748 45.100 0.001 0.000 1.009 431 G HN 0.400 nan 8.290 nan 0.000 0.523 432 Q N -0.515 119.285 119.800 0.001 0.000 1.985 432 Q HA -0.152 4.188 4.340 0.000 0.000 0.207 432 Q C 0.812 176.812 176.000 0.001 0.000 0.996 432 Q CA 2.059 57.863 55.803 0.001 0.000 0.851 432 Q CB -0.215 28.523 28.738 0.001 0.000 0.921 432 Q HN 0.686 nan 8.270 nan 0.000 0.418 433 N N -0.969 117.731 118.700 0.001 0.000 2.563 433 N HA 0.078 4.819 4.740 0.000 0.000 0.288 433 N C 0.173 175.684 175.510 0.001 0.000 1.246 433 N CA -0.432 52.618 53.050 0.001 0.000 0.946 433 N CB 0.404 38.892 38.487 0.001 0.000 1.213 433 N HN -0.182 nan 8.380 nan 0.000 0.578 434 E N -0.647 119.554 120.200 0.001 0.000 2.150 434 E HA -0.116 4.234 4.350 0.000 0.000 0.193 434 E C 0.514 177.115 176.600 0.001 0.000 0.985 434 E CA 1.230 57.631 56.400 0.001 0.000 0.814 434 E CB -0.292 29.409 29.700 0.001 0.000 0.752 434 E HN 0.548 nan 8.360 nan 0.000 0.466 435 D N 0.307 120.708 120.400 0.002 0.000 2.087 435 D HA -0.197 4.443 4.640 0.000 0.000 0.192 435 D C 1.895 178.197 176.300 0.002 0.000 0.993 435 D CA 1.195 55.196 54.000 0.002 0.000 0.828 435 D CB -0.352 40.449 40.800 0.002 0.000 0.968 435 D HN 0.338 nan 8.370 nan 0.000 0.448 436 Q N 0.262 120.064 119.800 0.002 0.000 2.173 436 Q HA -0.176 4.164 4.340 0.000 0.000 0.208 436 Q C 1.872 177.873 176.000 0.002 0.000 0.989 436 Q CA 1.047 56.851 55.803 0.002 0.000 0.872 436 Q CB -0.092 28.646 28.738 0.002 0.000 0.909 436 Q HN 0.271 nan 8.270 nan 0.000 0.420 437 N N -0.255 118.446 118.700 0.002 0.000 2.166 437 N HA -0.112 4.628 4.740 0.000 0.000 0.186 437 N C 1.776 177.287 175.510 0.002 0.000 1.019 437 N CA 0.952 54.003 53.050 0.002 0.000 0.856 437 N CB -0.197 38.291 38.487 0.002 0.000 0.993 437 N HN 0.075 nan 8.380 nan 0.000 0.426 438 V N 0.820 120.736 119.914 0.002 0.000 2.427 438 V HA -0.105 4.015 4.120 0.000 0.000 0.248 438 V C 2.444 178.540 176.094 0.003 0.000 1.051 438 V CA 1.888 64.190 62.300 0.003 0.000 1.048 438 V CB -1.162 30.663 31.823 0.002 0.000 0.666 438 V HN 0.317 nan 8.190 nan 0.000 0.456 439 G N -0.052 108.749 108.800 0.003 0.000 2.442 439 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 439 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 439 G C 1.510 176.412 174.900 0.003 0.000 1.141 439 G CA 1.140 46.242 45.100 0.003 0.000 0.763 439 G HN 0.437 nan 8.290 nan 0.000 0.554 440 I N 0.663 121.235 120.570 0.003 0.000 2.133 440 I HA -0.048 4.122 4.170 0.000 0.000 0.238 440 I C 2.527 178.646 176.117 0.004 0.000 1.074 440 I CA 1.129 62.431 61.300 0.003 0.000 1.342 440 I CB -0.119 37.883 38.000 0.002 0.000 1.053 440 I HN -0.081 nan 8.210 nan 0.000 0.404 441 K N 0.186 120.588 120.400 0.004 0.000 2.281 441 K HA -0.082 4.238 4.320 0.000 0.000 0.203 441 K C 2.137 178.739 176.600 0.004 0.000 1.046 441 K CA 0.923 57.212 56.287 0.004 0.000 0.938 441 K CB -0.678 31.824 32.500 0.003 0.000 0.737 441 K HN 0.231 nan 8.250 nan 0.000 0.458 442 V N 0.966 120.883 119.914 0.004 0.000 2.346 442 V HA -0.156 3.964 4.120 0.000 0.000 0.244 442 V C 2.349 178.446 176.094 0.005 0.000 1.037 442 V CA 1.738 64.040 62.300 0.005 0.000 1.029 442 V CB -0.446 31.380 31.823 0.005 0.000 0.663 442 V HN 0.277 nan 8.190 nan 0.000 0.454 443 A N -0.267 122.556 122.820 0.005 0.000 1.902 443 A HA -0.139 4.181 4.320 0.000 0.000 0.217 443 A C 2.149 179.737 177.584 0.007 0.000 1.181 443 A CA 1.676 53.717 52.037 0.006 0.000 0.623 443 A CB -0.530 18.473 19.000 0.005 0.000 0.818 443 A HN 0.501 nan 8.150 nan 0.000 0.443 444 L N -1.347 119.880 121.223 0.006 0.000 2.083 444 L HA -0.135 4.205 4.340 0.000 0.000 0.209 444 L C 2.764 179.639 176.870 0.008 0.000 1.083 444 L CA 1.508 56.352 54.840 0.007 0.000 0.752 444 L CB -0.497 41.566 42.059 0.007 0.000 0.899 444 L HN 0.403 nan 8.230 nan 0.000 0.433 445 R N 0.157 120.661 120.500 0.007 0.000 2.148 445 R HA -0.102 4.238 4.340 0.000 0.000 0.227 445 R C 2.233 178.537 176.300 0.006 0.000 1.103 445 R CA 1.106 57.210 56.100 0.006 0.000 0.983 445 R CB -0.054 30.249 30.300 0.005 0.000 0.874 445 R HN 0.348 nan 8.270 nan 0.000 0.451 446 A N 0.075 122.899 122.820 0.007 0.000 2.021 446 A HA -0.034 4.286 4.320 0.000 0.000 0.216 446 A C 1.899 179.489 177.584 0.009 0.000 1.163 446 A CA 0.533 52.575 52.037 0.008 0.000 0.676 446 A CB -0.148 18.858 19.000 0.009 0.000 0.818 446 A HN 0.250 nan 8.150 nan 0.000 0.453 447 M N -0.275 119.331 119.600 0.010 0.000 2.629 447 M HA -0.107 4.373 4.480 0.000 0.000 0.257 447 M C 1.334 177.641 176.300 0.011 0.000 1.071 447 M CA 0.954 56.261 55.300 0.011 0.000 1.077 447 M CB -0.169 32.438 32.600 0.012 0.000 1.423 447 M HN 0.476 nan 8.290 nan 0.000 0.508 448 E N -0.116 120.089 120.200 0.009 0.000 2.340 448 E HA 0.046 4.396 4.350 0.000 0.000 0.194 448 E C 2.103 178.705 176.600 0.004 0.000 0.996 448 E CA 0.453 56.858 56.400 0.007 0.000 0.869 448 E CB 0.070 29.773 29.700 0.005 0.000 0.835 448 E HN 0.481 nan 8.360 nan 0.000 0.493 449 A N 2.526 125.349 122.820 0.005 0.000 1.894 449 A HA -0.231 4.089 4.320 0.000 0.000 0.220 449 A C -0.337 177.250 177.584 0.004 0.000 1.237 449 A CA 1.977 54.017 52.037 0.004 0.000 0.660 449 A CB -1.784 17.220 19.000 0.006 0.000 0.835 449 A HN 0.147 nan 8.150 nan 0.000 0.461 450 P HA -0.190 nan 4.420 nan 0.000 0.214 450 P C 1.882 179.186 177.300 0.006 0.000 1.169 450 P CA 1.351 64.455 63.100 0.007 0.000 0.908 450 P CB -0.155 31.551 31.700 0.010 0.000 0.791 451 L N -0.868 120.359 121.223 0.006 0.000 1.994 451 L HA -0.194 4.146 4.340 0.000 0.000 0.208 451 L C 2.498 179.365 176.870 -0.005 0.000 1.071 451 L CA 1.732 56.575 54.840 0.005 0.000 0.745 451 L CB -0.356 41.706 42.059 0.004 0.000 0.892 451 L HN -0.189 nan 8.230 nan 0.000 0.431 452 R N -0.693 119.801 120.500 -0.011 0.000 2.139 452 R HA -0.267 4.073 4.340 0.000 0.000 0.243 452 R C 2.269 178.561 176.300 -0.013 0.000 1.145 452 R CA 1.860 57.948 56.100 -0.019 0.000 0.976 452 R CB -0.284 30.008 30.300 -0.014 0.000 0.866 452 R HN 0.424 nan 8.270 nan 0.000 0.449 453 Q N 0.818 120.616 119.800 -0.004 0.000 2.123 453 Q HA -0.030 4.310 4.340 0.000 0.000 0.199 453 Q C 1.771 177.773 176.000 0.003 0.000 0.966 453 Q CA 1.391 57.193 55.803 -0.001 0.000 0.845 453 Q CB 0.017 28.755 28.738 0.001 0.000 0.907 453 Q HN 0.349 nan 8.270 nan 0.000 0.439 454 I N -0.723 119.851 120.570 0.008 0.000 2.202 454 I HA -0.235 3.935 4.170 0.000 0.000 0.242 454 I C 2.030 178.163 176.117 0.027 0.000 1.091 454 I CA 0.878 62.189 61.300 0.017 0.000 1.368 454 I CB -0.394 37.621 38.000 0.025 0.000 1.058 454 I HN 0.036 nan 8.210 nan 0.000 0.410 455 V N 0.932 120.859 119.914 0.021 0.000 2.392 455 V HA -0.274 3.846 4.120 0.000 0.000 0.249 455 V C 2.382 178.478 176.094 0.003 0.000 1.059 455 V CA 1.640 63.947 62.300 0.010 0.000 1.051 455 V CB -0.489 31.286 31.823 -0.080 0.000 0.658 455 V HN 0.355 nan 8.190 nan 0.000 0.455 456 L N 0.701 121.921 121.223 -0.004 0.000 2.027 456 L HA -0.066 4.274 4.340 0.000 0.000 0.206 456 L C 2.100 178.972 176.870 0.004 0.000 1.074 456 L CA 1.859 56.697 54.840 -0.003 0.000 0.745 456 L CB -1.099 40.957 42.059 -0.005 0.000 0.898 456 L HN 0.292 nan 8.230 nan 0.000 0.433 457 N N -0.988 117.716 118.700 0.006 0.000 2.430 457 N HA -0.157 4.583 4.740 0.000 0.000 0.186 457 N C 1.459 176.975 175.510 0.010 0.000 1.032 457 N CA 1.373 54.426 53.050 0.006 0.000 0.893 457 N CB -0.621 37.869 38.487 0.005 0.000 0.957 457 N HN 0.417 nan 8.380 nan 0.000 0.442 458 C N -0.294 119.017 119.300 0.018 0.000 2.673 458 C HA 0.355 4.815 4.460 0.000 0.000 0.274 458 C C 1.405 176.409 174.990 0.024 0.000 1.276 458 C CA -0.285 58.748 59.018 0.026 0.000 1.701 458 C CB -1.167 26.603 27.740 0.051 0.000 1.836 458 C HN 0.543 nan 8.230 nan 0.000 0.596 459 G N 1.917 110.726 108.800 0.015 0.000 2.314 459 G HA2 -0.177 3.783 3.960 0.000 0.000 0.292 459 G HA3 -0.177 3.783 3.960 0.000 0.000 0.292 459 G C -0.203 174.707 174.900 0.016 0.000 1.059 459 G CA 0.346 45.453 45.100 0.012 0.000 0.982 459 G HN 0.506 nan 8.290 nan 0.000 0.505 460 E N -1.055 119.151 120.200 0.010 0.000 2.412 460 E HA 0.609 4.959 4.350 0.000 0.000 0.255 460 E C 0.029 176.618 176.600 -0.019 0.000 0.933 460 E CA -1.208 55.193 56.400 0.002 0.000 0.823 460 E CB 1.025 30.725 29.700 -0.001 0.000 1.352 460 E HN 0.064 nan 8.360 nan 0.000 0.406 461 K N 1.769 122.147 120.400 -0.035 0.000 2.244 461 K HA 0.281 4.601 4.320 0.000 0.000 0.263 461 K C -2.119 174.441 176.600 -0.066 0.000 1.103 461 K CA -2.004 54.261 56.287 -0.037 0.000 0.966 461 K CB 0.698 33.184 32.500 -0.023 0.000 1.429 461 K HN 0.054 nan 8.250 nan 0.000 0.434 462 P HA -0.276 nan 4.420 nan 0.000 0.213 462 P C 0.870 178.133 177.300 -0.061 0.000 1.176 462 P CA 1.743 64.803 63.100 -0.068 0.000 0.919 462 P CB 0.106 31.782 31.700 -0.040 0.000 0.791 463 S N -0.892 114.786 115.700 -0.036 0.000 2.381 463 S HA -0.213 4.257 4.470 0.000 0.000 0.230 463 S C 2.001 176.586 174.600 -0.024 0.000 1.052 463 S CA 2.088 60.273 58.200 -0.024 0.000 1.068 463 S CB -1.932 61.259 63.200 -0.015 0.000 0.918 463 S HN -0.046 nan 8.310 nan 0.000 0.448 464 V N 1.865 121.761 119.914 -0.030 0.000 2.221 464 V HA -0.152 3.968 4.120 0.000 0.000 0.242 464 V C 2.676 178.757 176.094 -0.022 0.000 1.041 464 V CA 1.785 64.074 62.300 -0.019 0.000 0.995 464 V CB -0.980 30.835 31.823 -0.013 0.000 0.635 464 V HN 0.472 nan 8.190 nan 0.000 0.448 465 V N 0.458 120.319 119.914 -0.090 0.000 2.317 465 V HA -0.363 3.757 4.120 0.000 0.000 0.251 465 V C 2.670 178.722 176.094 -0.069 0.000 1.065 465 V CA 2.340 64.537 62.300 -0.173 0.000 1.049 465 V CB -1.375 30.118 31.823 -0.550 0.000 0.651 465 V HN 0.594 nan 8.190 nan 0.000 0.450 466 A N 0.275 123.057 122.820 -0.063 0.000 1.851 466 A HA -0.302 4.018 4.320 0.000 0.000 0.216 466 A C 2.060 179.657 177.584 0.023 0.000 1.195 466 A CA 2.419 54.445 52.037 -0.018 0.000 0.622 466 A CB -0.983 18.005 19.000 -0.020 0.000 0.831 466 A HN 0.687 nan 8.150 nan 0.000 0.444 467 N N -0.842 117.869 118.700 0.019 0.000 2.061 467 N HA -0.152 4.588 4.740 0.000 0.000 0.193 467 N C 1.775 177.319 175.510 0.056 0.000 1.030 467 N CA 1.874 54.942 53.050 0.029 0.000 0.856 467 N CB -0.375 38.121 38.487 0.015 0.000 1.023 467 N HN 0.511 nan 8.380 nan 0.000 0.424 468 T N 0.832 115.428 114.554 0.070 0.000 2.635 468 T HA -0.133 4.217 4.350 0.000 0.000 0.267 468 T C 2.153 176.977 174.700 0.207 0.000 1.040 468 T CA 1.213 63.375 62.100 0.103 0.000 1.156 468 T CB -0.517 68.409 68.868 0.097 0.000 0.863 468 T HN 0.016 nan 8.240 nan 0.000 0.430 469 V N 1.544 121.593 119.914 0.225 0.000 2.392 469 V HA -0.202 3.918 4.120 0.000 0.000 0.249 469 V C 2.422 178.638 176.094 0.202 0.000 1.059 469 V CA 1.616 64.053 62.300 0.229 0.000 1.051 469 V CB -0.554 31.341 31.823 0.121 0.000 0.658 469 V HN 0.492 nan 8.190 nan 0.000 0.455 470 K N 0.260 120.736 120.400 0.127 0.000 2.211 470 K HA -0.037 4.283 4.320 0.000 0.000 0.203 470 K C 2.001 178.655 176.600 0.090 0.000 1.050 470 K CA 1.137 57.480 56.287 0.093 0.000 0.945 470 K CB -0.423 32.111 32.500 0.057 0.000 0.732 470 K HN 0.560 nan 8.250 nan 0.000 0.451 471 G N 0.818 109.674 108.800 0.094 0.000 2.882 471 G HA2 0.016 3.976 3.960 0.000 0.000 0.206 471 G HA3 0.016 3.976 3.960 0.000 0.000 0.206 471 G C 0.476 175.398 174.900 0.037 0.000 1.155 471 G CA 0.288 45.420 45.100 0.054 0.000 0.800 471 G HN 0.312 nan 8.290 nan 0.000 0.524 472 G N -1.080 107.780 108.800 0.101 0.000 2.971 472 G HA2 0.533 4.493 3.960 0.000 0.000 0.235 472 G HA3 0.533 4.493 3.960 0.000 0.000 0.235 472 G C -1.704 173.225 174.900 0.047 0.000 1.351 472 G CA -0.383 44.722 45.100 0.009 0.000 1.039 472 G HN 0.111 nan 8.290 nan 0.000 0.563 473 D N -3.057 117.365 120.400 0.037 0.000 2.661 473 D HA 0.539 5.179 4.640 0.000 0.000 0.228 473 D C 0.561 176.917 176.300 0.093 0.000 1.210 473 D CA 1.160 55.192 54.000 0.054 0.000 0.826 473 D CB 1.620 42.423 40.800 0.005 0.000 1.542 473 D HN 1.308 nan 8.370 nan 0.000 0.447 474 G N 2.109 110.957 108.800 0.081 0.000 2.512 474 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 474 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 474 G C 0.163 175.128 174.900 0.108 0.000 1.199 474 G CA 0.210 45.360 45.100 0.082 0.000 0.941 474 G HN 0.593 nan 8.290 nan 0.000 0.569 475 N N 0.156 118.921 118.700 0.108 0.000 2.346 475 N HA 0.340 5.080 4.740 0.000 0.000 0.225 475 N C -0.064 175.527 175.510 0.136 0.000 1.144 475 N CA 0.031 53.140 53.050 0.097 0.000 0.837 475 N CB 0.216 38.741 38.487 0.064 0.000 1.069 475 N HN 0.552 nan 8.380 nan 0.000 0.487 476 Y N 0.739 121.071 120.300 0.053 0.000 2.402 476 Y HA 0.511 5.061 4.550 0.000 0.000 0.333 476 Y C 0.737 176.698 175.900 0.102 0.000 1.076 476 Y CA -0.195 57.950 58.100 0.076 0.000 1.299 476 Y CB 0.126 38.630 38.460 0.074 0.000 1.197 476 Y HN 0.066 nan 8.280 nan 0.000 0.517 477 G N 4.141 112.724 108.800 -0.362 0.000 2.947 477 G HA2 0.262 4.222 3.960 0.000 0.000 0.293 477 G HA3 0.262 4.222 3.960 0.000 0.000 0.293 477 G C -2.365 172.362 174.900 -0.288 0.000 1.243 477 G CA -0.870 44.078 45.100 -0.253 0.000 0.802 477 G HN 0.563 nan 8.290 nan 0.000 0.560 478 Y N 1.419 121.518 120.300 -0.334 0.000 2.338 478 Y HA 0.558 5.108 4.550 -0.000 0.000 0.328 478 Y C -0.351 175.356 175.900 -0.322 0.000 0.965 478 Y CA -1.299 56.503 58.100 -0.497 0.000 1.208 478 Y CB 1.440 39.537 38.460 -0.605 0.000 1.132 478 Y HN 0.436 nan 8.280 nan 0.000 0.469 479 N N 4.726 123.044 118.700 -0.636 0.000 2.399 479 N HA 0.154 4.894 4.740 0.000 0.000 0.259 479 N C 0.499 175.507 175.510 -0.836 0.000 1.160 479 N CA 0.639 53.385 53.050 -0.506 0.000 0.946 479 N CB 1.445 39.727 38.487 -0.341 0.000 1.156 479 N HN 0.856 nan 8.380 nan 0.000 0.489 480 A N 3.512 125.999 122.820 -0.555 0.000 2.168 480 A HA 0.079 4.399 4.320 0.000 0.000 0.215 480 A C 1.870 179.300 177.584 -0.256 0.000 1.152 480 A CA 1.262 53.061 52.037 -0.398 0.000 0.716 480 A CB -0.364 18.634 19.000 -0.003 0.000 0.794 480 A HN 0.729 nan 8.150 nan 0.000 0.465 481 A N -0.564 122.115 122.820 -0.235 0.000 2.021 481 A HA 0.064 4.384 4.320 0.000 0.000 0.216 481 A C 2.234 179.726 177.584 -0.152 0.000 1.163 481 A CA 1.992 53.940 52.037 -0.148 0.000 0.676 481 A CB -0.533 18.399 19.000 -0.113 0.000 0.818 481 A HN 0.702 nan 8.150 nan 0.000 0.453 482 T N -4.640 109.783 114.554 -0.218 0.000 2.971 482 T HA 0.234 4.584 4.350 0.000 0.000 0.252 482 T C 0.428 175.011 174.700 -0.194 0.000 1.022 482 T CA 0.855 62.853 62.100 -0.169 0.000 0.980 482 T CB -0.133 68.649 68.868 -0.143 0.000 1.044 482 T HN 0.522 nan 8.240 nan 0.000 0.501 483 E N 0.703 120.679 120.200 -0.374 0.000 3.413 483 E HA -0.142 4.208 4.350 0.000 0.000 0.300 483 E C -0.860 175.613 176.600 -0.211 0.000 0.891 483 E CA 0.722 56.919 56.400 -0.339 0.000 1.050 483 E CB -1.716 27.957 29.700 -0.045 0.000 1.534 483 E HN 0.753 nan 8.360 nan 0.000 0.436 484 E N 0.554 120.591 120.200 -0.273 0.000 2.182 484 E HA 0.272 4.622 4.350 0.000 0.000 0.258 484 E C -0.643 175.918 176.600 -0.066 0.000 0.879 484 E CA -0.648 55.727 56.400 -0.042 0.000 0.754 484 E CB 0.767 30.462 29.700 -0.008 0.000 1.162 484 E HN 0.047 nan 8.360 nan 0.000 0.419 485 Y N 1.503 121.792 120.300 -0.019 0.000 2.546 485 Y HA 0.344 4.894 4.550 0.000 0.000 0.351 485 Y C 1.437 177.307 175.900 -0.049 0.000 1.266 485 Y CA 0.798 58.849 58.100 -0.082 0.000 1.487 485 Y CB 0.495 38.935 38.460 -0.035 0.000 1.365 485 Y HN 0.698 nan 8.280 nan 0.000 0.642 486 G N 0.207 109.025 108.800 0.031 0.000 2.399 486 G HA2 0.015 3.975 3.960 0.000 0.000 0.256 486 G HA3 0.015 3.975 3.960 0.000 0.000 0.256 486 G C -1.680 173.294 174.900 0.122 0.000 1.236 486 G CA -1.017 44.176 45.100 0.155 0.000 0.914 486 G HN 0.591 nan 8.290 nan 0.000 0.482 487 N N 1.268 120.039 118.700 0.118 0.000 2.462 487 N HA 0.201 4.941 4.740 0.000 0.000 0.242 487 N C 1.680 177.209 175.510 0.031 0.000 1.010 487 N CA -0.586 52.525 53.050 0.102 0.000 0.939 487 N CB 0.962 39.510 38.487 0.101 0.000 1.127 487 N HN 0.350 nan 8.380 nan 0.000 0.509 488 M N 3.137 122.740 119.600 0.005 0.000 2.143 488 M HA -0.197 4.283 4.480 0.000 0.000 0.258 488 M C 1.539 177.835 176.300 -0.005 0.000 1.071 488 M CA 1.240 56.528 55.300 -0.019 0.000 1.088 488 M CB -0.573 32.013 32.600 -0.022 0.000 1.360 488 M HN 0.555 nan 8.290 nan 0.000 0.404 489 I N -0.075 120.503 120.570 0.013 0.000 2.315 489 I HA -0.219 3.951 4.170 0.000 0.000 0.248 489 I C 1.728 177.851 176.117 0.009 0.000 1.117 489 I CA 1.375 62.682 61.300 0.012 0.000 1.404 489 I CB -1.515 36.496 38.000 0.020 0.000 1.071 489 I HN 0.211 nan 8.210 nan 0.000 0.419 490 D N 0.695 121.104 120.400 0.016 0.000 2.144 490 D HA -0.131 4.509 4.640 0.000 0.000 0.199 490 D C 2.088 178.390 176.300 0.003 0.000 0.984 490 D CA 1.066 55.075 54.000 0.014 0.000 0.834 490 D CB -0.107 40.708 40.800 0.025 0.000 0.955 490 D HN 0.243 nan 8.370 nan 0.000 0.465 491 M N -0.595 119.002 119.600 -0.006 0.000 2.628 491 M HA 0.166 4.646 4.480 0.000 0.000 0.232 491 M C 0.693 176.978 176.300 -0.026 0.000 1.128 491 M CA 0.241 55.528 55.300 -0.022 0.000 1.040 491 M CB 0.405 32.980 32.600 -0.042 0.000 1.608 491 M HN 0.058 nan 8.290 nan 0.000 0.507 492 G N 2.303 111.093 108.800 -0.016 0.000 2.324 492 G HA2 -0.236 3.724 3.960 0.000 0.000 0.292 492 G HA3 -0.236 3.724 3.960 0.000 0.000 0.292 492 G C -0.157 174.729 174.900 -0.022 0.000 1.079 492 G CA -0.201 44.890 45.100 -0.015 0.000 1.026 492 G HN 0.584 nan 8.290 nan 0.000 0.506 493 I N 0.811 121.367 120.570 -0.023 0.000 2.862 493 I HA 0.230 4.400 4.170 0.000 0.000 0.285 493 I C 0.180 176.287 176.117 -0.016 0.000 1.339 493 I CA -0.802 60.481 61.300 -0.028 0.000 1.002 493 I CB 0.251 38.221 38.000 -0.049 0.000 1.618 493 I HN 0.183 nan 8.210 nan 0.000 0.593 494 L N 0.636 121.854 121.223 -0.008 0.000 2.341 494 L HA 0.834 5.174 4.340 0.000 0.000 0.267 494 L C -0.548 176.323 176.870 0.003 0.000 1.022 494 L CA -0.756 54.084 54.840 -0.000 0.000 0.844 494 L CB 0.500 42.562 42.059 0.004 0.000 1.436 494 L HN -0.027 nan 8.230 nan 0.000 0.483 495 D N -1.388 119.017 120.400 0.008 0.000 2.931 495 D HA 0.309 4.949 4.640 0.000 0.000 0.215 495 D C -2.846 173.463 176.300 0.015 0.000 1.297 495 D CA -0.832 53.175 54.000 0.011 0.000 0.892 495 D CB 2.406 43.212 40.800 0.011 0.000 1.642 495 D HN 0.321 nan 8.370 nan 0.000 0.560 496 P HA 0.003 nan 4.420 nan 0.000 0.260 496 P C 0.996 178.309 177.300 0.022 0.000 1.185 496 P CA 0.279 63.392 63.100 0.022 0.000 0.763 496 P CB 0.603 32.320 31.700 0.028 0.000 0.776 497 T N 3.182 117.747 114.554 0.019 0.000 2.680 497 T HA -0.269 4.081 4.350 0.000 0.000 0.268 497 T C 1.635 176.347 174.700 0.020 0.000 1.033 497 T CA 1.503 63.614 62.100 0.018 0.000 1.152 497 T CB -0.364 68.513 68.868 0.016 0.000 0.859 497 T HN 0.502 nan 8.240 nan 0.000 0.452 498 K N 0.688 121.102 120.400 0.024 0.000 2.074 498 K HA -0.157 4.163 4.320 0.000 0.000 0.209 498 K C 2.439 179.061 176.600 0.036 0.000 1.048 498 K CA 1.737 58.041 56.287 0.028 0.000 0.926 498 K CB -0.405 32.116 32.500 0.034 0.000 0.713 498 K HN 0.374 nan 8.250 nan 0.000 0.444 499 V N -0.355 119.580 119.914 0.036 0.000 2.283 499 V HA -0.176 3.944 4.120 0.000 0.000 0.243 499 V C 1.807 177.926 176.094 0.041 0.000 1.039 499 V CA 2.405 64.730 62.300 0.041 0.000 1.016 499 V CB -0.868 30.974 31.823 0.030 0.000 0.650 499 V HN 0.331 nan 8.190 nan 0.000 0.449 500 T N 0.477 115.048 114.554 0.029 0.000 2.699 500 T HA -0.233 4.117 4.350 0.000 0.000 0.268 500 T C 1.961 176.676 174.700 0.024 0.000 1.036 500 T CA 2.378 64.493 62.100 0.026 0.000 1.147 500 T CB -0.440 68.439 68.868 0.020 0.000 0.862 500 T HN 0.632 nan 8.240 nan 0.000 0.446 501 R N 0.793 121.304 120.500 0.018 0.000 2.070 501 R HA -0.102 4.238 4.340 0.000 0.000 0.232 501 R C 2.680 178.980 176.300 -0.000 0.000 1.138 501 R CA 1.863 57.965 56.100 0.003 0.000 0.936 501 R CB -0.486 29.811 30.300 -0.003 0.000 0.839 501 R HN 0.240 nan 8.270 nan 0.000 0.429 502 S N 0.693 116.409 115.700 0.027 0.000 2.359 502 S HA -0.244 4.226 4.470 0.000 0.000 0.223 502 S C 2.063 176.758 174.600 0.157 0.000 1.039 502 S CA 1.475 59.721 58.200 0.076 0.000 1.042 502 S CB -0.540 62.764 63.200 0.173 0.000 0.915 502 S HN 0.607 nan 8.310 nan 0.000 0.439 503 A N 1.322 124.223 122.820 0.135 0.000 1.884 503 A HA -0.166 4.154 4.320 0.000 0.000 0.219 503 A C 2.176 179.820 177.584 0.100 0.000 1.197 503 A CA 1.939 54.052 52.037 0.126 0.000 0.637 503 A CB -0.908 18.133 19.000 0.070 0.000 0.827 503 A HN 0.423 nan 8.150 nan 0.000 0.450 504 L N -0.241 121.012 121.223 0.049 0.000 2.027 504 L HA -0.187 4.153 4.340 0.000 0.000 0.206 504 L C 2.550 179.420 176.870 -0.001 0.000 1.074 504 L CA 2.325 57.179 54.840 0.024 0.000 0.745 504 L CB -0.799 41.264 42.059 0.007 0.000 0.898 504 L HN 0.488 nan 8.230 nan 0.000 0.433 505 Q N -1.419 118.347 119.800 -0.056 0.000 2.135 505 Q HA -0.252 4.088 4.340 0.000 0.000 0.204 505 Q C 2.195 178.092 176.000 -0.172 0.000 0.981 505 Q CA 2.065 57.774 55.803 -0.157 0.000 0.856 505 Q CB -0.434 28.126 28.738 -0.297 0.000 0.902 505 Q HN 0.546 nan 8.270 nan 0.000 0.425 506 Y N 0.245 120.545 120.300 0.001 0.000 2.243 506 Y HA -0.043 4.507 4.550 0.000 0.000 0.293 506 Y C 2.482 178.382 175.900 0.000 0.000 1.124 506 Y CA 0.740 58.840 58.100 0.000 0.000 1.159 506 Y CB -0.696 37.763 38.460 -0.002 0.000 1.008 506 Y HN 0.097 nan 8.280 nan 0.000 0.527 507 A N 0.131 123.047 122.820 0.161 0.000 1.940 507 A HA -0.190 4.130 4.320 0.000 0.000 0.219 507 A C 2.448 180.070 177.584 0.063 0.000 1.176 507 A CA 2.026 54.117 52.037 0.091 0.000 0.631 507 A CB -1.236 17.801 19.000 0.061 0.000 0.814 507 A HN 0.401 nan 8.150 nan 0.000 0.446 508 A N -0.809 122.037 122.820 0.043 0.000 1.902 508 A HA -0.102 4.218 4.320 0.000 0.000 0.217 508 A C 2.472 180.073 177.584 0.028 0.000 1.181 508 A CA 2.199 54.249 52.037 0.022 0.000 0.623 508 A CB -1.038 17.960 19.000 -0.003 0.000 0.818 508 A HN 0.607 nan 8.150 nan 0.000 0.443 509 S N -0.778 114.947 115.700 0.041 0.000 2.354 509 S HA -0.175 4.295 4.470 0.000 0.000 0.219 509 S C 2.015 176.650 174.600 0.058 0.000 1.035 509 S CA 2.005 60.236 58.200 0.052 0.000 1.037 509 S CB -0.748 62.510 63.200 0.097 0.000 0.956 509 S HN 0.702 nan 8.310 nan 0.000 0.428 510 V N 1.888 121.847 119.914 0.074 0.000 2.343 510 V HA -0.045 4.075 4.120 0.000 0.000 0.247 510 V C 2.584 178.700 176.094 0.037 0.000 1.051 510 V CA 2.211 64.543 62.300 0.053 0.000 1.036 510 V CB -1.272 30.582 31.823 0.051 0.000 0.654 510 V HN 0.616 nan 8.190 nan 0.000 0.451 511 A N 0.256 123.097 122.820 0.036 0.000 1.865 511 A HA -0.090 4.230 4.320 0.000 0.000 0.217 511 A C 2.433 180.030 177.584 0.021 0.000 1.191 511 A CA 2.173 54.225 52.037 0.025 0.000 0.623 511 A CB -1.658 17.356 19.000 0.023 0.000 0.826 511 A HN 0.699 nan 8.150 nan 0.000 0.444 512 G N -0.174 108.638 108.800 0.020 0.000 2.446 512 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 512 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 512 G C 1.564 176.475 174.900 0.018 0.000 1.168 512 G CA 1.130 46.240 45.100 0.016 0.000 0.771 512 G HN 0.446 nan 8.290 nan 0.000 0.551 513 L N -0.238 120.998 121.223 0.022 0.000 2.043 513 L HA -0.148 4.192 4.340 0.000 0.000 0.212 513 L C 3.147 180.029 176.870 0.020 0.000 1.075 513 L CA 1.400 56.253 54.840 0.022 0.000 0.752 513 L CB -0.389 41.685 42.059 0.025 0.000 0.891 513 L HN 0.271 nan 8.230 nan 0.000 0.432 514 M N -0.699 118.913 119.600 0.019 0.000 2.132 514 M HA -0.176 4.304 4.480 0.000 0.000 0.263 514 M C 2.306 178.615 176.300 0.014 0.000 1.065 514 M CA 1.712 57.022 55.300 0.016 0.000 1.122 514 M CB -0.368 32.242 32.600 0.016 0.000 1.365 514 M HN 0.179 nan 8.290 nan 0.000 0.411 515 I N 0.297 120.875 120.570 0.014 0.000 2.423 515 I HA -0.219 3.951 4.170 0.000 0.000 0.254 515 I C 1.722 177.847 176.117 0.013 0.000 1.151 515 I CA 1.450 62.757 61.300 0.012 0.000 1.421 515 I CB -0.630 37.376 38.000 0.011 0.000 1.079 515 I HN 0.416 nan 8.210 nan 0.000 0.431 516 T N -3.229 111.334 114.554 0.015 0.000 3.223 516 T HA 0.167 4.517 4.350 0.000 0.000 0.259 516 T C 0.498 175.210 174.700 0.020 0.000 1.015 516 T CA -0.320 61.790 62.100 0.017 0.000 0.908 516 T CB -0.377 68.501 68.868 0.017 0.000 1.054 516 T HN -0.052 nan 8.240 nan 0.000 0.567 517 T N 2.188 116.753 114.554 0.019 0.000 2.845 517 T HA 0.348 4.698 4.350 0.000 0.000 0.288 517 T C 0.565 175.280 174.700 0.025 0.000 0.980 517 T CA -0.528 61.584 62.100 0.020 0.000 1.071 517 T CB 1.616 70.492 68.868 0.013 0.000 0.941 517 T HN 0.058 nan 8.240 nan 0.000 0.487 518 E N 0.282 120.505 120.200 0.038 0.000 2.514 518 E HA 0.200 4.550 4.350 0.000 0.000 0.215 518 E C -0.118 176.530 176.600 0.079 0.000 0.946 518 E CA 0.073 56.515 56.400 0.069 0.000 1.038 518 E CB 0.720 30.477 29.700 0.095 0.000 1.069 518 E HN 0.603 nan 8.360 nan 0.000 0.503 519 C N 0.620 119.920 119.300 0.001 0.000 3.006 519 C HA 0.626 5.086 4.460 0.000 0.000 0.359 519 C C -1.426 173.483 174.990 -0.135 0.000 1.103 519 C CA -0.666 58.260 59.018 -0.154 0.000 1.286 519 C CB 0.144 27.780 27.740 -0.172 0.000 1.694 519 C HN 0.107 nan 8.230 nan 0.000 0.511 520 M N 4.903 124.406 119.600 -0.161 0.000 2.456 520 M HA 0.664 5.144 4.480 0.000 0.000 0.324 520 M C -0.949 175.385 176.300 0.057 0.000 1.124 520 M CA -0.673 54.637 55.300 0.017 0.000 0.959 520 M CB 2.123 34.831 32.600 0.180 0.000 1.692 520 M HN 0.411 nan 8.290 nan 0.000 0.444 521 V N 1.317 121.253 119.914 0.037 0.000 2.483 521 V HA 0.708 4.828 4.120 0.000 0.000 0.297 521 V C -0.363 175.691 176.094 -0.067 0.000 1.027 521 V CA -0.332 61.966 62.300 -0.003 0.000 0.855 521 V CB 1.966 33.772 31.823 -0.028 0.000 0.995 521 V HN 0.976 nan 8.190 nan 0.000 0.424 522 T N 2.432 116.890 114.554 -0.160 0.000 2.787 522 T HA 0.447 4.797 4.350 0.000 0.000 0.297 522 T C -1.157 173.411 174.700 -0.221 0.000 1.221 522 T CA -0.543 61.398 62.100 -0.264 0.000 1.006 522 T CB 1.867 70.412 68.868 -0.538 0.000 1.328 522 T HN 0.645 nan 8.240 nan 0.000 0.509 523 D N 1.146 121.432 120.400 -0.190 0.000 2.357 523 D HA 0.384 5.024 4.640 0.000 0.000 0.242 523 D C -0.317 175.903 176.300 -0.133 0.000 1.153 523 D CA -0.217 53.705 54.000 -0.129 0.000 0.918 523 D CB 0.375 41.117 40.800 -0.096 0.000 1.181 523 D HN 0.183 nan 8.370 nan 0.000 0.435 524 L N 3.206 124.383 121.223 -0.075 0.000 2.360 524 L HA 0.254 4.594 4.340 0.000 0.000 0.276 524 L C -1.469 175.372 176.870 -0.047 0.000 1.121 524 L CA -1.260 53.550 54.840 -0.050 0.000 0.845 524 L CB -0.265 41.781 42.059 -0.021 0.000 1.143 524 L HN 0.412 nan 8.230 nan 0.000 0.452 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.082 63.100 -0.030 0.000 0.800 525 P CB 0.000 31.693 31.700 -0.012 0.000 0.726