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 2c7d_1_A DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.007 0.000 1.274 2 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 2.621 125.440 122.820 -0.002 0.000 2.279 3 A HA 0.830 5.151 4.320 0.001 0.000 0.303 3 A C 0.015 177.599 177.584 0.001 0.000 1.108 3 A CA -0.427 51.611 52.037 0.002 0.000 0.830 3 A CB 0.566 19.570 19.000 0.008 0.000 1.106 3 A HN 0.612 nan 8.150 nan 0.000 0.493 4 K N 0.910 121.314 120.400 0.006 0.000 2.208 4 K HA 0.389 4.710 4.320 0.001 0.000 0.247 4 K C -1.085 175.542 176.600 0.045 0.000 0.953 4 K CA -0.629 55.663 56.287 0.009 0.000 0.837 4 K CB 1.763 34.262 32.500 -0.002 0.000 1.131 4 K HN 0.791 nan 8.250 nan 0.000 0.431 5 D N 0.901 121.352 120.400 0.085 0.000 2.294 5 D HA 0.438 5.078 4.640 0.001 0.000 0.250 5 D C -1.086 175.358 176.300 0.241 0.000 1.058 5 D CA -0.504 53.608 54.000 0.187 0.000 0.950 5 D CB 1.251 42.248 40.800 0.328 0.000 1.158 5 D HN 0.234 nan 8.370 nan 0.000 0.453 6 V N -0.943 119.104 119.914 0.221 0.000 2.777 6 V HA 0.694 4.815 4.120 0.001 0.000 0.306 6 V C -1.100 175.001 176.094 0.012 0.000 1.112 6 V CA -0.846 61.524 62.300 0.118 0.000 0.917 6 V CB 1.738 33.542 31.823 -0.032 0.000 1.018 6 V HN 0.507 nan 8.190 nan 0.000 0.426 7 K N 3.780 124.150 120.400 -0.050 0.000 2.498 7 K HA 0.707 5.027 4.320 0.001 0.000 0.254 7 K C -1.739 174.758 176.600 -0.172 0.000 0.933 7 K CA -0.430 55.773 56.287 -0.140 0.000 0.806 7 K CB 2.850 35.124 32.500 -0.378 0.000 1.301 7 K HN 0.612 nan 8.250 nan 0.000 0.432 8 F N 0.278 120.223 119.950 -0.009 0.000 2.450 8 F HA 0.444 4.972 4.527 0.001 0.000 0.328 8 F C 1.570 177.369 175.800 -0.001 0.000 1.068 8 F CA 0.777 58.782 58.000 0.008 0.000 1.007 8 F CB 1.418 40.419 39.000 0.001 0.000 1.251 8 F HN 0.853 nan 8.300 nan 0.000 0.492 9 G N 1.724 110.662 108.800 0.230 0.000 2.646 9 G HA2 -0.528 3.433 3.960 0.001 0.000 0.324 9 G HA3 -0.528 3.433 3.960 0.001 0.000 0.324 9 G C 1.094 176.042 174.900 0.081 0.000 1.195 9 G CA 1.255 46.439 45.100 0.139 0.000 0.976 9 G HN 0.823 nan 8.290 nan 0.000 0.546 10 N N 0.822 119.556 118.700 0.058 0.000 2.006 10 N HA -0.067 4.673 4.740 0.001 0.000 0.196 10 N C 1.849 177.372 175.510 0.021 0.000 1.057 10 N CA 2.604 55.673 53.050 0.032 0.000 0.853 10 N CB -0.407 38.091 38.487 0.018 0.000 1.051 10 N HN 0.560 nan 8.380 nan 0.000 0.423 11 D N -0.278 120.125 120.400 0.005 0.000 2.178 11 D HA -0.051 4.590 4.640 0.001 0.000 0.201 11 D C 1.810 178.081 176.300 -0.048 0.000 0.980 11 D CA 1.206 55.180 54.000 -0.044 0.000 0.842 11 D CB -0.442 40.305 40.800 -0.089 0.000 0.948 11 D HN 0.483 nan 8.370 nan 0.000 0.472 12 A N 1.007 123.827 122.820 0.000 0.000 1.834 12 A HA -0.212 4.109 4.320 0.001 0.000 0.216 12 A C 2.128 179.756 177.584 0.074 0.000 1.203 12 A CA 1.558 53.635 52.037 0.066 0.000 0.621 12 A CB -0.596 18.450 19.000 0.076 0.000 0.841 12 A HN 0.093 nan 8.150 nan 0.000 0.446 13 R N -0.826 119.708 120.500 0.057 0.000 2.120 13 R HA -0.067 4.274 4.340 0.001 0.000 0.234 13 R C 2.022 178.347 176.300 0.041 0.000 1.123 13 R CA 1.274 57.403 56.100 0.049 0.000 0.975 13 R CB -0.526 29.800 30.300 0.043 0.000 0.866 13 R HN 0.413 nan 8.270 nan 0.000 0.446 14 V N 1.346 121.279 119.914 0.032 0.000 2.270 14 V HA -0.236 3.885 4.120 0.001 0.000 0.245 14 V C 2.278 178.393 176.094 0.034 0.000 1.043 14 V CA 1.614 63.929 62.300 0.025 0.000 1.014 14 V CB -0.322 31.509 31.823 0.012 0.000 0.645 14 V HN 0.214 nan 8.190 nan 0.000 0.447 15 K N -0.519 119.908 120.400 0.046 0.000 2.057 15 K HA -0.139 4.181 4.320 0.001 0.000 0.207 15 K C 2.131 178.783 176.600 0.088 0.000 1.049 15 K CA 1.676 58.010 56.287 0.078 0.000 0.931 15 K CB -0.515 32.061 32.500 0.126 0.000 0.714 15 K HN 0.436 nan 8.250 nan 0.000 0.440 16 M N 0.732 120.386 119.600 0.090 0.000 2.082 16 M HA -0.233 4.248 4.480 0.001 0.000 0.258 16 M C 2.154 178.481 176.300 0.045 0.000 1.069 16 M CA 1.478 56.818 55.300 0.066 0.000 1.102 16 M CB -0.170 32.467 32.600 0.063 0.000 1.336 16 M HN 0.074 nan 8.290 nan 0.000 0.404 17 L N 0.669 121.915 121.223 0.040 0.000 2.012 17 L HA -0.214 4.127 4.340 0.001 0.000 0.210 17 L C 2.381 179.267 176.870 0.028 0.000 1.073 17 L CA 1.925 56.783 54.840 0.030 0.000 0.748 17 L CB -0.752 41.324 42.059 0.027 0.000 0.891 17 L HN 0.273 nan 8.230 nan 0.000 0.431 18 R N -0.537 119.981 120.500 0.031 0.000 2.091 18 R HA -0.135 4.206 4.340 0.001 0.000 0.238 18 R C 2.185 178.501 176.300 0.027 0.000 1.136 18 R CA 1.249 57.365 56.100 0.027 0.000 0.959 18 R CB -1.108 29.210 30.300 0.029 0.000 0.856 18 R HN 0.606 nan 8.270 nan 0.000 0.437 19 G N 0.741 109.560 108.800 0.032 0.000 2.446 19 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 19 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 19 G C 1.518 176.428 174.900 0.018 0.000 1.168 19 G CA 0.791 45.906 45.100 0.025 0.000 0.771 19 G HN 0.136 nan 8.290 nan 0.000 0.551 20 V N 1.430 121.356 119.914 0.020 0.000 2.332 20 V HA -0.271 3.850 4.120 0.001 0.000 0.248 20 V C 2.579 178.683 176.094 0.016 0.000 1.055 20 V CA 2.353 64.663 62.300 0.017 0.000 1.038 20 V CB -0.778 31.056 31.823 0.020 0.000 0.651 20 V HN 0.453 nan 8.190 nan 0.000 0.450 21 N N -0.223 118.487 118.700 0.017 0.000 2.106 21 N HA -0.137 4.604 4.740 0.001 0.000 0.188 21 N C 1.684 177.201 175.510 0.012 0.000 1.029 21 N CA 1.313 54.372 53.050 0.015 0.000 0.848 21 N CB -0.287 38.209 38.487 0.015 0.000 1.007 21 N HN 0.276 nan 8.380 nan 0.000 0.423 22 V N 1.529 121.450 119.914 0.012 0.000 2.568 22 V HA -0.166 3.955 4.120 0.001 0.000 0.253 22 V C 2.030 178.128 176.094 0.006 0.000 1.072 22 V CA 1.111 63.416 62.300 0.009 0.000 1.084 22 V CB -0.466 31.363 31.823 0.009 0.000 0.676 22 V HN 0.383 nan 8.190 nan 0.000 0.469 23 L N 0.444 121.671 121.223 0.007 0.000 2.013 23 L HA 0.058 4.399 4.340 0.001 0.000 0.204 23 L C 2.466 179.341 176.870 0.008 0.000 1.081 23 L CA 2.624 57.467 54.840 0.005 0.000 0.751 23 L CB -1.326 40.736 42.059 0.004 0.000 0.901 23 L HN 0.288 nan 8.230 nan 0.000 0.440 24 A N -0.682 122.145 122.820 0.011 0.000 1.968 24 A HA -0.169 4.152 4.320 0.001 0.000 0.217 24 A C 1.732 179.324 177.584 0.013 0.000 1.169 24 A CA 1.550 53.595 52.037 0.014 0.000 0.638 24 A CB -0.563 18.446 19.000 0.016 0.000 0.812 24 A HN 0.558 nan 8.150 nan 0.000 0.446 25 D N -0.312 120.095 120.400 0.012 0.000 2.323 25 D HA 0.215 4.856 4.640 0.001 0.000 0.209 25 D C 2.018 178.324 176.300 0.010 0.000 0.973 25 D CA 0.902 54.909 54.000 0.012 0.000 0.874 25 D CB 0.009 40.816 40.800 0.011 0.000 0.930 25 D HN 0.424 nan 8.370 nan 0.000 0.521 26 A N 0.247 123.072 122.820 0.008 0.000 1.840 26 A HA -0.104 4.217 4.320 0.001 0.000 0.214 26 A C 2.305 179.894 177.584 0.008 0.000 1.198 26 A CA 0.869 52.910 52.037 0.006 0.000 0.608 26 A CB -0.894 18.108 19.000 0.004 0.000 0.839 26 A HN 0.107 nan 8.150 nan 0.000 0.443 27 V N 0.485 120.404 119.914 0.009 0.000 2.453 27 V HA -0.333 3.788 4.120 0.001 0.000 0.252 27 V C 2.434 178.536 176.094 0.013 0.000 1.068 27 V CA 2.436 64.743 62.300 0.011 0.000 1.070 27 V CB -0.794 31.037 31.823 0.012 0.000 0.664 27 V HN 0.555 nan 8.190 nan 0.000 0.461 28 K N 0.034 120.442 120.400 0.014 0.000 2.173 28 K HA -0.192 4.129 4.320 0.001 0.000 0.207 28 K C 1.794 178.402 176.600 0.013 0.000 1.046 28 K CA 1.793 58.088 56.287 0.015 0.000 0.929 28 K CB -0.396 32.113 32.500 0.014 0.000 0.720 28 K HN 0.625 nan 8.250 nan 0.000 0.453 29 V N -0.944 118.976 119.914 0.011 0.000 3.541 29 V HA -0.044 4.077 4.120 0.001 0.000 0.272 29 V C 1.429 177.528 176.094 0.009 0.000 1.215 29 V CA 1.645 63.951 62.300 0.010 0.000 1.176 29 V CB -0.756 31.071 31.823 0.008 0.000 0.854 29 V HN 0.338 nan 8.190 nan 0.000 0.496 30 T N -2.948 111.613 114.554 0.010 0.000 3.010 30 T HA 0.351 4.701 4.350 0.001 0.000 0.257 30 T C 0.328 175.035 174.700 0.010 0.000 1.020 30 T CA -0.153 61.953 62.100 0.010 0.000 0.938 30 T CB 0.188 69.062 68.868 0.011 0.000 1.049 30 T HN 0.343 nan 8.240 nan 0.000 0.522 31 L N 2.360 123.590 121.223 0.012 0.000 2.395 31 L HA 0.661 5.002 4.340 0.001 0.000 0.269 31 L C 0.784 177.661 176.870 0.011 0.000 1.133 31 L CA 1.544 56.392 54.840 0.013 0.000 0.812 31 L CB 0.314 42.383 42.059 0.017 0.000 1.125 31 L HN 0.683 nan 8.230 nan 0.000 0.452 32 G N 3.898 112.703 108.800 0.008 0.000 2.757 32 G HA2 -0.137 3.824 3.960 0.001 0.000 0.638 32 G HA3 -0.137 3.824 3.960 0.001 0.000 0.638 32 G C -2.338 172.558 174.900 -0.008 0.000 1.344 32 G CA -0.250 44.851 45.100 0.002 0.000 0.855 32 G HN 0.574 nan 8.290 nan 0.000 0.537 33 P HA 0.090 nan 4.420 nan 0.000 0.236 33 P C 0.868 178.153 177.300 -0.025 0.000 1.177 33 P CA 1.020 64.102 63.100 -0.030 0.000 0.773 33 P CB 0.126 31.795 31.700 -0.052 0.000 0.878 34 K N 0.044 120.434 120.400 -0.016 0.000 2.397 34 K HA 0.258 4.579 4.320 0.001 0.000 0.202 34 K C 1.127 177.725 176.600 -0.002 0.000 1.022 34 K CA -0.301 55.980 56.287 -0.009 0.000 1.141 34 K CB 0.464 32.962 32.500 -0.004 0.000 0.857 34 K HN 0.046 nan 8.250 nan 0.000 0.514 35 G N 1.384 110.183 108.800 -0.002 0.000 2.483 35 G HA2 0.146 4.106 3.960 0.001 0.000 0.248 35 G HA3 0.146 4.106 3.960 0.001 0.000 0.248 35 G C -0.212 174.689 174.900 0.002 0.000 1.248 35 G CA -0.379 44.723 45.100 0.003 0.000 0.838 35 G HN 0.172 nan 8.290 nan 0.000 0.566 36 R N 0.652 121.154 120.500 0.004 0.000 2.810 36 R HA 0.406 4.746 4.340 0.001 0.000 0.245 36 R C -0.666 175.636 176.300 0.004 0.000 1.168 36 R CA -1.005 55.097 56.100 0.003 0.000 1.096 36 R CB 0.855 31.158 30.300 0.004 0.000 1.259 36 R HN 0.436 nan 8.270 nan 0.000 0.518 37 N N -0.506 118.196 118.700 0.003 0.000 2.443 37 N HA 0.462 5.203 4.740 0.001 0.000 0.293 37 N C -1.192 174.320 175.510 0.003 0.000 1.159 37 N CA -0.605 52.447 53.050 0.003 0.000 0.904 37 N CB 1.858 40.346 38.487 0.002 0.000 1.214 37 N HN 0.153 nan 8.380 nan 0.000 0.513 38 V N 0.642 120.558 119.914 0.003 0.000 2.735 38 V HA 0.502 4.623 4.120 0.001 0.000 0.310 38 V C -0.419 175.675 176.094 0.000 0.000 1.061 38 V CA -0.824 61.477 62.300 0.001 0.000 0.913 38 V CB 2.139 33.963 31.823 0.002 0.000 1.005 38 V HN 0.300 nan 8.190 nan 0.000 0.428 39 V N 5.329 125.241 119.914 -0.002 0.000 2.459 39 V HA 0.533 4.654 4.120 0.001 0.000 0.295 39 V C -0.402 175.686 176.094 -0.008 0.000 1.029 39 V CA -0.502 61.796 62.300 -0.004 0.000 0.874 39 V CB 1.579 33.399 31.823 -0.005 0.000 0.985 39 V HN 0.621 nan 8.190 nan 0.000 0.438 40 L N 3.746 124.963 121.223 -0.009 0.000 2.325 40 L HA 0.587 4.928 4.340 0.001 0.000 0.281 40 L C -0.649 176.207 176.870 -0.024 0.000 1.004 40 L CA -0.472 54.357 54.840 -0.017 0.000 0.823 40 L CB 1.860 43.911 42.059 -0.012 0.000 1.236 40 L HN 0.531 nan 8.230 nan 0.000 0.415 41 D N 3.274 123.651 120.400 -0.039 0.000 2.175 41 D HA 0.417 5.058 4.640 0.001 0.000 0.248 41 D C -0.846 175.398 176.300 -0.094 0.000 1.047 41 D CA -0.216 53.753 54.000 -0.052 0.000 0.883 41 D CB 1.352 42.121 40.800 -0.051 0.000 1.180 41 D HN 0.350 nan 8.370 nan 0.000 0.438 42 K N 1.128 121.465 120.400 -0.105 0.000 2.601 42 K HA 0.156 4.476 4.320 0.001 0.000 0.249 42 K C 0.520 177.021 176.600 -0.165 0.000 0.966 42 K CA -0.444 55.714 56.287 -0.216 0.000 0.827 42 K CB 1.628 34.010 32.500 -0.196 0.000 1.178 42 K HN 0.353 nan 8.250 nan 0.000 0.437 43 S N 1.993 117.560 115.700 -0.221 0.000 2.537 43 S HA -0.105 4.366 4.470 0.001 0.000 0.240 43 S C 1.419 176.043 174.600 0.040 0.000 0.981 43 S CA 0.597 58.741 58.200 -0.093 0.000 0.948 43 S CB -0.396 62.749 63.200 -0.091 0.000 0.759 43 S HN 0.496 nan 8.310 nan 0.000 0.531 44 F N 2.425 122.372 119.950 -0.005 0.000 2.236 44 F HA 0.172 4.700 4.527 0.002 0.000 0.302 44 F C 2.146 177.943 175.800 -0.005 0.000 1.073 44 F CA 0.333 58.330 58.000 -0.005 0.000 1.336 44 F CB -1.148 37.848 39.000 -0.006 0.000 1.040 44 F HN 0.513 nan 8.300 nan 0.000 0.507 45 G N -2.212 106.684 108.800 0.160 0.000 4.259 45 G HA2 0.512 4.473 3.960 0.001 0.000 0.193 45 G HA3 0.512 4.473 3.960 0.001 0.000 0.193 45 G C -0.393 174.535 174.900 0.046 0.000 1.373 45 G CA 0.435 45.587 45.100 0.087 0.000 1.011 45 G HN 0.493 nan 8.290 nan 0.000 0.408 46 A N -0.562 122.281 122.820 0.037 0.000 2.566 46 A HA 0.793 5.114 4.320 0.001 0.000 0.290 46 A C -3.145 174.445 177.584 0.010 0.000 1.071 46 A CA -0.682 51.365 52.037 0.016 0.000 0.658 46 A CB 0.359 19.369 19.000 0.017 0.000 1.285 46 A HN 0.173 nan 8.150 nan 0.000 0.427 47 P HA 0.550 nan 4.420 nan 0.000 0.275 47 P C -0.390 176.914 177.300 0.006 0.000 1.270 47 P CA 0.113 63.211 63.100 -0.003 0.000 0.791 47 P CB 0.562 32.258 31.700 -0.007 0.000 1.089 48 T N 0.025 114.581 114.554 0.005 0.000 2.956 48 T HA 0.504 4.855 4.350 0.001 0.000 0.312 48 T C -0.393 174.310 174.700 0.005 0.000 1.151 48 T CA -0.303 61.802 62.100 0.009 0.000 1.024 48 T CB 0.608 69.486 68.868 0.016 0.000 1.140 48 T HN 0.064 nan 8.240 nan 0.000 0.473 49 I N 2.014 122.588 120.570 0.006 0.000 2.440 49 I HA 0.642 4.813 4.170 0.001 0.000 0.294 49 I C 0.725 176.847 176.117 0.007 0.000 0.995 49 I CA -0.062 61.241 61.300 0.005 0.000 1.306 49 I CB 1.605 39.607 38.000 0.004 0.000 1.407 49 I HN 0.511 nan 8.210 nan 0.000 0.501 50 T N 3.398 117.956 114.554 0.007 0.000 2.868 50 T HA 0.379 4.730 4.350 0.001 0.000 0.306 50 T C 0.019 174.724 174.700 0.008 0.000 1.224 50 T CA -0.633 61.472 62.100 0.009 0.000 1.012 50 T CB 1.382 70.256 68.868 0.011 0.000 1.221 50 T HN 0.732 nan 8.240 nan 0.000 0.499 51 K N 0.975 121.381 120.400 0.010 0.000 2.402 51 K HA 0.224 4.545 4.320 0.001 0.000 0.204 51 K C -0.309 176.299 176.600 0.013 0.000 1.056 51 K CA -0.168 56.125 56.287 0.010 0.000 1.069 51 K CB 0.379 32.884 32.500 0.008 0.000 0.888 51 K HN 0.594 nan 8.250 nan 0.000 0.546 52 D N -0.976 119.434 120.400 0.016 0.000 2.225 52 D HA 0.133 4.773 4.640 0.001 0.000 0.248 52 D C 1.105 177.415 176.300 0.016 0.000 1.096 52 D CA -0.154 53.857 54.000 0.019 0.000 0.863 52 D CB 1.610 42.425 40.800 0.024 0.000 1.156 52 D HN 0.118 nan 8.370 nan 0.000 0.450 53 G N 2.381 111.192 108.800 0.018 0.000 2.422 53 G HA2 -0.198 3.763 3.960 0.001 0.000 0.218 53 G HA3 -0.198 3.763 3.960 0.001 0.000 0.218 53 G C 1.381 176.289 174.900 0.012 0.000 1.140 53 G CA 0.628 45.737 45.100 0.015 0.000 0.775 53 G HN 0.467 nan 8.290 nan 0.000 0.545 54 V N 0.580 120.501 119.914 0.012 0.000 2.453 54 V HA -0.092 4.029 4.120 0.001 0.000 0.247 54 V C 2.942 179.039 176.094 0.005 0.000 1.048 54 V CA 2.470 64.773 62.300 0.006 0.000 1.049 54 V CB -0.177 31.647 31.823 0.002 0.000 0.672 54 V HN 0.348 nan 8.190 nan 0.000 0.457 55 S N -0.224 115.482 115.700 0.009 0.000 2.368 55 S HA -0.166 4.304 4.470 0.001 0.000 0.225 55 S C 1.886 176.489 174.600 0.005 0.000 1.030 55 S CA 1.624 59.829 58.200 0.010 0.000 0.999 55 S CB -0.200 63.008 63.200 0.014 0.000 0.844 55 S HN 0.477 nan 8.310 nan 0.000 0.459 56 V N 2.130 122.047 119.914 0.005 0.000 2.261 56 V HA -0.216 3.905 4.120 0.001 0.000 0.246 56 V C 2.697 178.791 176.094 -0.001 0.000 1.047 56 V CA 1.764 64.065 62.300 0.002 0.000 1.015 56 V CB -1.299 30.526 31.823 0.004 0.000 0.642 56 V HN 0.542 nan 8.190 nan 0.000 0.446 57 A N -0.119 122.702 122.820 0.000 0.000 1.883 57 A HA -0.277 4.044 4.320 0.001 0.000 0.217 57 A C 2.343 179.923 177.584 -0.006 0.000 1.186 57 A CA 2.139 54.174 52.037 -0.002 0.000 0.624 57 A CB -0.599 18.400 19.000 -0.002 0.000 0.822 57 A HN 0.504 nan 8.150 nan 0.000 0.444 58 R N -0.531 119.965 120.500 -0.005 0.000 2.119 58 R HA -0.159 4.182 4.340 0.001 0.000 0.246 58 R C 1.797 178.092 176.300 -0.008 0.000 1.146 58 R CA 1.627 57.724 56.100 -0.006 0.000 0.962 58 R CB -0.235 30.065 30.300 0.000 0.000 0.863 58 R HN 0.477 nan 8.270 nan 0.000 0.442 59 E N 0.136 120.330 120.200 -0.010 0.000 2.435 59 E HA -0.010 4.341 4.350 0.001 0.000 0.195 59 E C 0.224 176.812 176.600 -0.020 0.000 1.029 59 E CA 0.283 56.672 56.400 -0.018 0.000 0.865 59 E CB 0.180 29.867 29.700 -0.023 0.000 0.833 59 E HN 0.199 nan 8.360 nan 0.000 0.510 60 I N 2.003 122.564 120.570 -0.015 0.000 2.452 60 I HA 0.142 4.313 4.170 0.001 0.000 0.287 60 I C 0.408 176.515 176.117 -0.017 0.000 1.079 60 I CA 0.241 61.533 61.300 -0.015 0.000 1.387 60 I CB -0.082 37.913 38.000 -0.009 0.000 1.404 60 I HN -0.039 nan 8.210 nan 0.000 0.522 61 E N 6.353 126.542 120.200 -0.019 0.000 2.381 61 E HA 0.455 4.806 4.350 0.001 0.000 0.286 61 E C -2.054 174.534 176.600 -0.019 0.000 0.960 61 E CA -0.613 55.774 56.400 -0.022 0.000 0.793 61 E CB 1.974 31.659 29.700 -0.025 0.000 1.225 61 E HN 0.245 nan 8.360 nan 0.000 0.420 62 L N 2.855 124.067 121.223 -0.017 0.000 2.301 62 L HA 0.363 4.704 4.340 0.001 0.000 0.264 62 L C 1.404 178.270 176.870 -0.008 0.000 1.016 62 L CA -0.247 54.588 54.840 -0.009 0.000 0.821 62 L CB 1.294 43.354 42.059 0.001 0.000 1.346 62 L HN 0.873 nan 8.230 nan 0.000 0.429 63 E N 0.094 120.294 120.200 -0.000 0.000 2.072 63 E HA -0.160 4.191 4.350 0.001 0.000 0.191 63 E C 0.191 176.802 176.600 0.019 0.000 0.985 63 E CA 0.614 57.017 56.400 0.005 0.000 0.801 63 E CB 0.312 30.017 29.700 0.008 0.000 0.750 63 E HN 0.605 nan 8.360 nan 0.000 0.452 64 D N 0.818 121.238 120.400 0.032 0.000 2.346 64 D HA -0.052 4.588 4.640 0.001 0.000 0.260 64 D C 0.670 177.005 176.300 0.059 0.000 1.252 64 D CA 0.076 54.117 54.000 0.068 0.000 0.895 64 D CB 0.853 41.698 40.800 0.075 0.000 1.097 64 D HN 0.010 nan 8.370 nan 0.000 0.489 65 K N 3.288 123.724 120.400 0.060 0.000 2.147 65 K HA -0.131 4.189 4.320 0.001 0.000 0.205 65 K C 1.648 178.115 176.600 -0.222 0.000 1.049 65 K CA 0.990 57.214 56.287 -0.106 0.000 0.936 65 K CB -0.066 32.320 32.500 -0.189 0.000 0.722 65 K HN 0.513 nan 8.250 nan 0.000 0.446 66 F N 1.176 121.118 119.950 -0.013 0.000 2.473 66 F HA 0.037 4.564 4.527 -0.000 0.000 0.294 66 F C 2.163 177.957 175.800 -0.010 0.000 1.103 66 F CA 0.459 58.451 58.000 -0.014 0.000 1.442 66 F CB 0.041 39.033 39.000 -0.013 0.000 1.097 66 F HN 0.034 nan 8.300 nan 0.000 0.547 67 E N 0.179 120.466 120.200 0.145 0.000 2.107 67 E HA -0.193 4.157 4.350 0.001 0.000 0.191 67 E C 1.632 178.248 176.600 0.026 0.000 0.982 67 E CA 1.025 57.468 56.400 0.072 0.000 0.809 67 E CB -0.300 29.437 29.700 0.062 0.000 0.756 67 E HN 0.333 nan 8.360 nan 0.000 0.459 68 N N 1.125 119.826 118.700 0.001 0.000 2.069 68 N HA -0.190 4.551 4.740 0.001 0.000 0.191 68 N C 1.825 177.307 175.510 -0.048 0.000 1.031 68 N CA 1.495 54.527 53.050 -0.030 0.000 0.852 68 N CB -0.027 38.429 38.487 -0.050 0.000 1.018 68 N HN 0.051 nan 8.380 nan 0.000 0.423 69 M N -0.608 118.944 119.600 -0.079 0.000 2.082 69 M HA -0.119 4.362 4.480 0.001 0.000 0.258 69 M C 2.203 178.483 176.300 -0.034 0.000 1.069 69 M CA 1.901 57.152 55.300 -0.082 0.000 1.102 69 M CB -0.748 31.777 32.600 -0.126 0.000 1.336 69 M HN 0.398 nan 8.290 nan 0.000 0.404 70 G N -0.357 108.440 108.800 -0.006 0.000 2.421 70 G HA2 -0.145 3.815 3.960 0.001 0.000 0.216 70 G HA3 -0.145 3.815 3.960 0.001 0.000 0.216 70 G C 1.597 176.498 174.900 0.001 0.000 1.171 70 G CA 1.007 46.112 45.100 0.008 0.000 0.775 70 G HN 0.558 nan 8.290 nan 0.000 0.543 71 A N 0.039 122.858 122.820 -0.002 0.000 1.902 71 A HA -0.078 4.242 4.320 0.001 0.000 0.217 71 A C 2.363 179.940 177.584 -0.012 0.000 1.181 71 A CA 1.870 53.904 52.037 -0.004 0.000 0.623 71 A CB -0.372 18.625 19.000 -0.005 0.000 0.818 71 A HN 0.359 nan 8.150 nan 0.000 0.443 72 Q N -0.951 118.836 119.800 -0.021 0.000 2.167 72 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 72 Q C 2.149 178.135 176.000 -0.023 0.000 0.970 72 Q CA 1.375 57.162 55.803 -0.026 0.000 0.855 72 Q CB -0.294 28.422 28.738 -0.038 0.000 0.911 72 Q HN 0.772 nan 8.270 nan 0.000 0.438 73 M N 0.103 119.691 119.600 -0.019 0.000 2.098 73 M HA -0.123 4.358 4.480 0.001 0.000 0.262 73 M C 2.187 178.482 176.300 -0.009 0.000 1.072 73 M CA 1.196 56.488 55.300 -0.014 0.000 1.133 73 M CB -0.252 32.343 32.600 -0.008 0.000 1.344 73 M HN 0.032 nan 8.290 nan 0.000 0.414 74 V N -1.405 118.508 119.914 -0.002 0.000 3.241 74 V HA -0.144 3.977 4.120 0.001 0.000 0.269 74 V C 1.933 178.024 176.094 -0.004 0.000 1.151 74 V CA 1.269 63.570 62.300 0.003 0.000 1.158 74 V CB -1.371 30.457 31.823 0.010 0.000 0.764 74 V HN 0.448 nan 8.190 nan 0.000 0.508 75 K N 0.945 121.338 120.400 -0.011 0.000 2.147 75 K HA -0.240 4.081 4.320 0.001 0.000 0.205 75 K C 2.224 178.807 176.600 -0.028 0.000 1.049 75 K CA 1.845 58.122 56.287 -0.017 0.000 0.936 75 K CB -0.020 32.469 32.500 -0.019 0.000 0.722 75 K HN 0.697 nan 8.250 nan 0.000 0.446 76 E N -0.010 120.170 120.200 -0.034 0.000 2.072 76 E HA -0.145 4.205 4.350 0.001 0.000 0.190 76 E C 1.838 178.390 176.600 -0.079 0.000 0.982 76 E CA 0.885 57.250 56.400 -0.057 0.000 0.803 76 E CB 0.039 29.707 29.700 -0.054 0.000 0.755 76 E HN 0.156 nan 8.360 nan 0.000 0.453 77 V N 0.624 120.512 119.914 -0.044 0.000 2.469 77 V HA -0.235 3.886 4.120 0.001 0.000 0.251 77 V C 2.109 178.190 176.094 -0.023 0.000 1.064 77 V CA 2.164 64.450 62.300 -0.024 0.000 1.066 77 V CB -0.420 31.430 31.823 0.045 0.000 0.667 77 V HN 0.451 nan 8.190 nan 0.000 0.461 78 A N -1.164 121.645 122.820 -0.017 0.000 1.930 78 A HA -0.164 4.157 4.320 0.001 0.000 0.217 78 A C 2.524 180.087 177.584 -0.035 0.000 1.175 78 A CA 2.114 54.145 52.037 -0.010 0.000 0.627 78 A CB -0.877 18.121 19.000 -0.003 0.000 0.815 78 A HN 0.566 nan 8.150 nan 0.000 0.443 79 S N -0.752 114.909 115.700 -0.064 0.000 2.371 79 S HA -0.106 4.365 4.470 0.001 0.000 0.224 79 S C 2.039 176.555 174.600 -0.140 0.000 1.029 79 S CA 1.196 59.347 58.200 -0.082 0.000 0.978 79 S CB -0.237 62.916 63.200 -0.078 0.000 0.833 79 S HN 0.448 nan 8.310 nan 0.000 0.466 80 K N 1.251 121.499 120.400 -0.255 0.000 2.281 80 K HA -0.003 4.318 4.320 0.001 0.000 0.203 80 K C 2.048 178.432 176.600 -0.360 0.000 1.046 80 K CA 0.999 56.971 56.287 -0.524 0.000 0.938 80 K CB -0.525 31.348 32.500 -1.045 0.000 0.737 80 K HN 0.439 nan 8.250 nan 0.000 0.458 81 A N 1.588 124.354 122.820 -0.090 0.000 1.840 81 A HA -0.146 4.175 4.320 0.001 0.000 0.214 81 A C 2.046 179.646 177.584 0.026 0.000 1.198 81 A CA 1.399 53.480 52.037 0.073 0.000 0.608 81 A CB -0.647 18.410 19.000 0.095 0.000 0.839 81 A HN 0.370 nan 8.150 nan 0.000 0.443 82 N N -0.357 118.338 118.700 -0.008 0.000 2.289 82 N HA -0.156 4.585 4.740 0.001 0.000 0.184 82 N C 0.713 176.195 175.510 -0.045 0.000 1.016 82 N CA 1.292 54.332 53.050 -0.016 0.000 0.872 82 N CB -0.170 38.309 38.487 -0.013 0.000 0.973 82 N HN 0.421 nan 8.380 nan 0.000 0.433 83 D N -0.354 120.012 120.400 -0.057 0.000 2.317 83 D HA 0.000 4.641 4.640 0.001 0.000 0.211 83 D C 1.157 177.433 176.300 -0.041 0.000 0.966 83 D CA 0.384 54.348 54.000 -0.061 0.000 0.876 83 D CB 0.389 41.142 40.800 -0.077 0.000 0.927 83 D HN 0.381 nan 8.370 nan 0.000 0.519 84 A N -0.113 122.702 122.820 -0.009 0.000 2.070 84 A HA 0.527 4.848 4.320 0.001 0.000 0.202 84 A C 1.593 179.200 177.584 0.038 0.000 1.277 84 A CA 0.763 52.825 52.037 0.042 0.000 0.872 84 A CB 0.765 19.852 19.000 0.144 0.000 0.933 84 A HN 0.130 nan 8.150 nan 0.000 0.475 85 A N -2.779 120.060 122.820 0.032 0.000 2.733 85 A HA 0.488 4.809 4.320 0.001 0.000 0.232 85 A C 1.639 179.258 177.584 0.058 0.000 1.251 85 A CA 1.150 53.216 52.037 0.049 0.000 1.015 85 A CB -0.415 18.631 19.000 0.077 0.000 1.291 85 A HN 1.948 nan 8.150 nan 0.000 0.595 86 G N 0.450 109.257 108.800 0.013 0.000 5.155 86 G HA2 -0.350 3.611 3.960 0.001 0.000 0.239 86 G HA3 -0.350 3.611 3.960 0.001 0.000 0.239 86 G C 0.359 175.307 174.900 0.080 0.000 1.409 86 G CA 0.643 45.776 45.100 0.054 0.000 0.927 86 G HN 0.695 nan 8.290 nan 0.000 0.710 87 D N 1.449 121.906 120.400 0.096 0.000 2.414 87 D HA 0.481 5.122 4.640 0.001 0.000 0.251 87 D C 1.590 177.928 176.300 0.065 0.000 1.252 87 D CA 1.451 55.494 54.000 0.072 0.000 0.999 87 D CB 0.391 41.232 40.800 0.067 0.000 1.093 87 D HN 1.753 nan 8.370 nan 0.000 0.515 88 G N -0.577 108.256 108.800 0.055 0.000 2.176 88 G HA2 -0.328 3.633 3.960 0.001 0.000 0.253 88 G HA3 -0.328 3.633 3.960 0.001 0.000 0.253 88 G C 1.119 176.055 174.900 0.059 0.000 0.979 88 G CA 1.515 46.650 45.100 0.057 0.000 0.641 88 G HN 0.677 nan 8.290 nan 0.000 0.530 89 T N -2.027 112.557 114.554 0.050 0.000 2.652 89 T HA -0.150 4.201 4.350 0.001 0.000 0.267 89 T C 2.220 176.943 174.700 0.038 0.000 1.039 89 T CA 2.693 64.818 62.100 0.041 0.000 1.153 89 T CB -0.896 67.990 68.868 0.030 0.000 0.863 89 T HN 0.367 nan 8.240 nan 0.000 0.428 90 T N 1.913 116.487 114.554 0.033 0.000 2.708 90 T HA -0.103 4.247 4.350 0.001 0.000 0.266 90 T C 2.296 177.015 174.700 0.033 0.000 1.037 90 T CA 1.948 64.065 62.100 0.029 0.000 1.146 90 T CB -1.063 67.819 68.868 0.024 0.000 0.865 90 T HN 0.573 nan 8.240 nan 0.000 0.435 91 T N 2.159 116.735 114.554 0.037 0.000 2.684 91 T HA -0.073 4.278 4.350 0.001 0.000 0.267 91 T C 2.408 177.135 174.700 0.044 0.000 1.036 91 T CA 1.249 63.371 62.100 0.037 0.000 1.148 91 T CB -0.620 68.270 68.868 0.037 0.000 0.863 91 T HN 0.442 nan 8.240 nan 0.000 0.436 92 A N 1.414 124.270 122.820 0.060 0.000 1.902 92 A HA -0.121 4.199 4.320 0.001 0.000 0.217 92 A C 2.569 180.191 177.584 0.063 0.000 1.181 92 A CA 2.041 54.126 52.037 0.079 0.000 0.623 92 A CB -1.220 17.857 19.000 0.127 0.000 0.818 92 A HN 0.498 nan 8.150 nan 0.000 0.443 93 T N -0.524 114.059 114.554 0.049 0.000 2.777 93 T HA -0.090 4.261 4.350 0.001 0.000 0.266 93 T C 1.858 176.577 174.700 0.032 0.000 1.040 93 T CA 1.388 63.510 62.100 0.036 0.000 1.141 93 T CB -0.400 68.484 68.868 0.027 0.000 0.868 93 T HN 0.134 nan 8.240 nan 0.000 0.444 94 V N 1.511 121.444 119.914 0.031 0.000 2.295 94 V HA -0.129 3.992 4.120 0.001 0.000 0.246 94 V C 2.481 178.592 176.094 0.028 0.000 1.049 94 V CA 1.512 63.828 62.300 0.027 0.000 1.024 94 V CB -0.620 31.219 31.823 0.027 0.000 0.648 94 V HN 0.430 nan 8.190 nan 0.000 0.447 95 L N -0.263 120.979 121.223 0.032 0.000 2.046 95 L HA -0.153 4.188 4.340 0.001 0.000 0.208 95 L C 2.715 179.604 176.870 0.032 0.000 1.077 95 L CA 1.539 56.397 54.840 0.030 0.000 0.747 95 L CB -0.794 41.284 42.059 0.031 0.000 0.896 95 L HN 0.362 nan 8.230 nan 0.000 0.432 96 A N 0.694 123.536 122.820 0.038 0.000 1.865 96 A HA -0.294 4.027 4.320 0.001 0.000 0.217 96 A C 2.195 179.796 177.584 0.029 0.000 1.191 96 A CA 2.015 54.074 52.037 0.037 0.000 0.623 96 A CB -0.682 18.343 19.000 0.041 0.000 0.826 96 A HN 0.576 nan 8.150 nan 0.000 0.444 97 Q N -0.138 119.678 119.800 0.026 0.000 2.226 97 Q HA 0.131 4.472 4.340 0.001 0.000 0.204 97 Q C 1.754 177.767 176.000 0.021 0.000 0.975 97 Q CA 2.092 57.909 55.803 0.023 0.000 0.866 97 Q CB -0.698 28.053 28.738 0.021 0.000 0.915 97 Q HN 0.480 nan 8.270 nan 0.000 0.440 98 A N 0.904 123.737 122.820 0.022 0.000 1.897 98 A HA 0.020 4.341 4.320 0.001 0.000 0.215 98 A C 2.165 179.761 177.584 0.019 0.000 1.181 98 A CA 1.190 53.239 52.037 0.020 0.000 0.620 98 A CB -0.559 18.453 19.000 0.020 0.000 0.821 98 A HN 0.421 nan 8.150 nan 0.000 0.443 99 I N -0.266 120.317 120.570 0.021 0.000 2.315 99 I HA -0.240 3.931 4.170 0.001 0.000 0.248 99 I C 2.224 178.354 176.117 0.021 0.000 1.117 99 I CA 1.125 62.437 61.300 0.020 0.000 1.404 99 I CB -0.332 37.681 38.000 0.022 0.000 1.071 99 I HN 0.288 nan 8.210 nan 0.000 0.419 100 I N 0.369 120.952 120.570 0.022 0.000 2.179 100 I HA -0.287 3.884 4.170 0.001 0.000 0.242 100 I C 2.578 178.707 176.117 0.020 0.000 1.088 100 I CA 1.597 62.910 61.300 0.022 0.000 1.357 100 I CB -0.613 37.401 38.000 0.023 0.000 1.051 100 I HN 0.225 nan 8.210 nan 0.000 0.409 101 T N 0.176 114.741 114.554 0.019 0.000 2.622 101 T HA -0.177 4.173 4.350 0.001 0.000 0.266 101 T C 1.775 176.485 174.700 0.016 0.000 1.047 101 T CA 1.361 63.471 62.100 0.017 0.000 1.159 101 T CB -0.192 68.685 68.868 0.016 0.000 0.863 101 T HN 0.278 nan 8.240 nan 0.000 0.422 102 E N 0.405 120.614 120.200 0.016 0.000 2.358 102 E HA 0.074 4.425 4.350 0.001 0.000 0.195 102 E C 2.369 178.978 176.600 0.014 0.000 1.010 102 E CA 0.521 56.929 56.400 0.014 0.000 0.856 102 E CB -0.478 29.230 29.700 0.014 0.000 0.795 102 E HN 0.580 nan 8.360 nan 0.000 0.504 103 G N 0.886 109.696 108.800 0.016 0.000 2.408 103 G HA2 -0.126 3.835 3.960 0.001 0.000 0.213 103 G HA3 -0.126 3.835 3.960 0.001 0.000 0.213 103 G C 1.701 176.611 174.900 0.017 0.000 1.177 103 G CA -0.010 45.100 45.100 0.017 0.000 0.802 103 G HN 0.150 nan 8.290 nan 0.000 0.533 104 L N 0.335 121.569 121.223 0.019 0.000 2.083 104 L HA -0.079 4.261 4.340 0.001 0.000 0.209 104 L C 2.804 179.685 176.870 0.017 0.000 1.083 104 L CA 1.400 56.251 54.840 0.019 0.000 0.752 104 L CB -0.310 41.762 42.059 0.021 0.000 0.899 104 L HN 0.228 nan 8.230 nan 0.000 0.433 105 K N 0.407 120.816 120.400 0.015 0.000 2.044 105 K HA -0.255 4.066 4.320 0.001 0.000 0.210 105 K C 2.088 178.696 176.600 0.012 0.000 1.049 105 K CA 1.727 58.022 56.287 0.013 0.000 0.927 105 K CB -0.102 32.405 32.500 0.012 0.000 0.713 105 K HN 0.309 nan 8.250 nan 0.000 0.443 106 A N 0.386 123.214 122.820 0.013 0.000 1.929 106 A HA -0.066 4.255 4.320 0.001 0.000 0.216 106 A C 2.211 179.803 177.584 0.013 0.000 1.176 106 A CA 1.339 53.384 52.037 0.012 0.000 0.628 106 A CB -0.447 18.560 19.000 0.012 0.000 0.816 106 A HN 0.176 nan 8.150 nan 0.000 0.444 107 V N -0.048 119.876 119.914 0.016 0.000 2.332 107 V HA -0.264 3.856 4.120 0.001 0.000 0.248 107 V C 3.002 179.107 176.094 0.017 0.000 1.055 107 V CA 1.996 64.307 62.300 0.018 0.000 1.038 107 V CB -1.145 30.692 31.823 0.022 0.000 0.651 107 V HN 0.601 nan 8.190 nan 0.000 0.450 108 A N -0.252 122.578 122.820 0.016 0.000 1.968 108 A HA 0.058 4.378 4.320 0.001 0.000 0.217 108 A C 2.338 179.929 177.584 0.011 0.000 1.169 108 A CA 1.575 53.620 52.037 0.014 0.000 0.638 108 A CB -0.554 18.454 19.000 0.013 0.000 0.812 108 A HN 0.555 nan 8.150 nan 0.000 0.446 109 A N -1.828 120.998 122.820 0.010 0.000 2.066 109 A HA 0.360 4.681 4.320 0.001 0.000 0.218 109 A C 1.830 179.419 177.584 0.008 0.000 1.157 109 A CA 1.631 53.673 52.037 0.008 0.000 0.670 109 A CB -0.634 18.370 19.000 0.008 0.000 0.804 109 A HN 1.789 nan 8.150 nan 0.000 0.453 110 G N -2.958 105.848 108.800 0.010 0.000 2.183 110 G HA2 -0.136 3.825 3.960 0.001 0.000 0.168 110 G HA3 -0.136 3.825 3.960 0.001 0.000 0.168 110 G C -0.002 174.904 174.900 0.010 0.000 1.008 110 G CA 0.033 45.138 45.100 0.010 0.000 0.677 110 G HN 0.244 nan 8.290 nan 0.000 0.498 111 M N 1.379 120.986 119.600 0.011 0.000 2.245 111 M HA 0.305 4.786 4.480 0.001 0.000 0.344 111 M C 0.750 177.058 176.300 0.013 0.000 1.170 111 M CA -0.510 54.797 55.300 0.011 0.000 1.135 111 M CB 0.284 32.890 32.600 0.010 0.000 1.574 111 M HN 0.264 nan 8.290 nan 0.000 0.452 112 N N 4.089 122.796 118.700 0.012 0.000 2.386 112 N HA -0.002 4.739 4.740 0.001 0.000 0.273 112 N C -2.052 173.467 175.510 0.016 0.000 1.331 112 N CA -1.034 52.025 53.050 0.014 0.000 0.891 112 N CB 0.468 38.963 38.487 0.013 0.000 1.139 112 N HN 0.295 nan 8.380 nan 0.000 0.487 113 P HA -0.134 nan 4.420 nan 0.000 0.219 113 P C 1.233 178.545 177.300 0.019 0.000 1.146 113 P CA 0.988 64.100 63.100 0.020 0.000 0.808 113 P CB 0.136 31.851 31.700 0.024 0.000 0.779 114 M N -0.706 118.905 119.600 0.018 0.000 2.288 114 M HA -0.054 4.426 4.480 0.001 0.000 0.266 114 M C 1.207 177.515 176.300 0.014 0.000 1.072 114 M CA 1.649 56.959 55.300 0.017 0.000 1.132 114 M CB -0.892 31.718 32.600 0.017 0.000 1.386 114 M HN -0.258 nan 8.290 nan 0.000 0.432 115 D N -0.302 120.106 120.400 0.013 0.000 2.269 115 D HA -0.051 4.590 4.640 0.001 0.000 0.208 115 D C 1.990 178.297 176.300 0.012 0.000 0.963 115 D CA 0.920 54.927 54.000 0.012 0.000 0.864 115 D CB -0.086 40.720 40.800 0.010 0.000 0.936 115 D HN 0.377 nan 8.370 nan 0.000 0.505 116 L N 0.622 121.853 121.223 0.013 0.000 2.017 116 L HA -0.167 4.174 4.340 0.001 0.000 0.208 116 L C 2.555 179.434 176.870 0.013 0.000 1.073 116 L CA 1.171 56.019 54.840 0.013 0.000 0.745 116 L CB -0.378 41.690 42.059 0.015 0.000 0.894 116 L HN -0.054 nan 8.230 nan 0.000 0.432 117 K N 0.437 120.846 120.400 0.015 0.000 2.026 117 K HA -0.180 4.141 4.320 0.001 0.000 0.208 117 K C 2.311 178.918 176.600 0.013 0.000 1.048 117 K CA 1.332 57.628 56.287 0.015 0.000 0.929 117 K CB 0.018 32.528 32.500 0.017 0.000 0.713 117 K HN 0.158 nan 8.250 nan 0.000 0.439 118 R N -0.569 119.938 120.500 0.012 0.000 2.117 118 R HA -0.130 4.210 4.340 0.001 0.000 0.243 118 R C 2.395 178.700 176.300 0.008 0.000 1.143 118 R CA 1.464 57.570 56.100 0.010 0.000 0.968 118 R CB -0.441 29.865 30.300 0.010 0.000 0.863 118 R HN 0.367 nan 8.270 nan 0.000 0.444 119 G N 0.682 109.487 108.800 0.009 0.000 2.396 119 G HA2 -0.160 3.800 3.960 0.001 0.000 0.214 119 G HA3 -0.160 3.800 3.960 0.001 0.000 0.214 119 G C 1.435 176.339 174.900 0.007 0.000 1.166 119 G CA 0.281 45.385 45.100 0.007 0.000 0.793 119 G HN 0.130 nan 8.290 nan 0.000 0.533 120 I N 1.253 121.828 120.570 0.008 0.000 2.127 120 I HA -0.169 4.002 4.170 0.001 0.000 0.241 120 I C 2.335 178.456 176.117 0.006 0.000 1.075 120 I CA 1.348 62.653 61.300 0.008 0.000 1.334 120 I CB -0.179 37.828 38.000 0.011 0.000 1.040 120 I HN 0.052 nan 8.210 nan 0.000 0.405 121 D N 0.811 121.215 120.400 0.007 0.000 2.123 121 D HA -0.240 4.400 4.640 0.001 0.000 0.196 121 D C 2.057 178.359 176.300 0.002 0.000 0.992 121 D CA 1.337 55.340 54.000 0.005 0.000 0.833 121 D CB -0.299 40.505 40.800 0.008 0.000 0.954 121 D HN 0.310 nan 8.370 nan 0.000 0.455 122 K N 0.624 121.026 120.400 0.003 0.000 2.057 122 K HA -0.091 4.230 4.320 0.001 0.000 0.207 122 K C 2.025 178.625 176.600 0.000 0.000 1.049 122 K CA 1.251 57.539 56.287 0.002 0.000 0.931 122 K CB -0.015 32.487 32.500 0.003 0.000 0.714 122 K HN 0.034 nan 8.250 nan 0.000 0.440 123 A N 0.527 123.347 122.820 0.001 0.000 1.898 123 A HA -0.092 4.229 4.320 0.001 0.000 0.216 123 A C 2.217 179.799 177.584 -0.003 0.000 1.181 123 A CA 1.487 53.524 52.037 0.000 0.000 0.620 123 A CB -0.602 18.399 19.000 0.002 0.000 0.819 123 A HN 0.165 nan 8.150 nan 0.000 0.442 124 V N -0.007 119.904 119.914 -0.005 0.000 2.332 124 V HA -0.252 3.868 4.120 0.001 0.000 0.248 124 V C 2.750 178.835 176.094 -0.014 0.000 1.055 124 V CA 2.497 64.789 62.300 -0.012 0.000 1.038 124 V CB -1.326 30.489 31.823 -0.014 0.000 0.651 124 V HN 0.628 nan 8.190 nan 0.000 0.450 125 T N 0.630 115.178 114.554 -0.010 0.000 2.607 125 T HA -0.264 4.087 4.350 0.001 0.000 0.267 125 T C 2.061 176.756 174.700 -0.009 0.000 1.049 125 T CA 2.020 64.114 62.100 -0.009 0.000 1.162 125 T CB -0.566 68.299 68.868 -0.005 0.000 0.863 125 T HN 0.593 nan 8.240 nan 0.000 0.424 126 A N 1.341 124.157 122.820 -0.006 0.000 1.902 126 A HA 0.156 4.477 4.320 0.001 0.000 0.217 126 A C 2.646 180.227 177.584 -0.006 0.000 1.181 126 A CA 1.931 53.965 52.037 -0.004 0.000 0.623 126 A CB -1.126 17.873 19.000 -0.002 0.000 0.818 126 A HN 0.532 nan 8.150 nan 0.000 0.443 127 A N -0.659 122.157 122.820 -0.007 0.000 1.933 127 A HA 0.026 4.347 4.320 0.001 0.000 0.218 127 A C 2.220 179.797 177.584 -0.013 0.000 1.175 127 A CA 1.706 53.738 52.037 -0.008 0.000 0.628 127 A CB -0.841 18.154 19.000 -0.009 0.000 0.814 127 A HN 0.366 nan 8.150 nan 0.000 0.444 128 V N 0.229 120.131 119.914 -0.019 0.000 2.343 128 V HA -0.205 3.916 4.120 0.001 0.000 0.247 128 V C 2.570 178.654 176.094 -0.017 0.000 1.051 128 V CA 2.090 64.375 62.300 -0.024 0.000 1.036 128 V CB -0.646 31.158 31.823 -0.032 0.000 0.654 128 V HN 0.521 nan 8.190 nan 0.000 0.451 129 E N -0.299 119.894 120.200 -0.012 0.000 2.077 129 E HA -0.186 4.164 4.350 0.001 0.000 0.193 129 E C 2.304 178.901 176.600 -0.005 0.000 0.989 129 E CA 0.899 57.294 56.400 -0.008 0.000 0.800 129 E CB -0.199 29.498 29.700 -0.006 0.000 0.746 129 E HN 0.575 nan 8.360 nan 0.000 0.452 130 E N 0.694 120.892 120.200 -0.004 0.000 2.110 130 E HA -0.109 4.242 4.350 0.001 0.000 0.193 130 E C 2.389 178.988 176.600 -0.001 0.000 0.988 130 E CA 0.411 56.810 56.400 -0.002 0.000 0.804 130 E CB -0.200 29.500 29.700 -0.000 0.000 0.745 130 E HN 0.282 nan 8.360 nan 0.000 0.458 131 L N 0.499 121.720 121.223 -0.005 0.000 2.083 131 L HA -0.196 4.145 4.340 0.001 0.000 0.209 131 L C 2.317 179.185 176.870 -0.004 0.000 1.083 131 L CA 1.110 55.947 54.840 -0.005 0.000 0.752 131 L CB -0.205 41.847 42.059 -0.011 0.000 0.899 131 L HN -0.017 nan 8.230 nan 0.000 0.433 132 K N -0.015 120.382 120.400 -0.006 0.000 2.148 132 K HA -0.044 4.277 4.320 0.001 0.000 0.204 132 K C 2.090 178.689 176.600 -0.001 0.000 1.050 132 K CA 1.158 57.442 56.287 -0.004 0.000 0.942 132 K CB -0.324 32.173 32.500 -0.006 0.000 0.724 132 K HN 0.254 nan 8.250 nan 0.000 0.446 133 A N -0.178 122.642 122.820 -0.000 0.000 1.968 133 A HA -0.051 4.270 4.320 0.001 0.000 0.217 133 A C 1.632 179.218 177.584 0.004 0.000 1.169 133 A CA 1.157 53.195 52.037 0.002 0.000 0.638 133 A CB -0.179 18.822 19.000 0.002 0.000 0.812 133 A HN 0.150 nan 8.150 nan 0.000 0.446 134 L N -0.580 120.646 121.223 0.005 0.000 2.529 134 L HA 0.196 4.537 4.340 0.001 0.000 0.223 134 L C 1.317 178.191 176.870 0.007 0.000 1.113 134 L CA 0.531 55.375 54.840 0.007 0.000 0.861 134 L CB -0.209 41.855 42.059 0.009 0.000 1.012 134 L HN 0.217 nan 8.230 nan 0.000 0.461 135 S N 0.347 116.050 115.700 0.005 0.000 2.506 135 S HA 0.079 4.550 4.470 0.001 0.000 0.291 135 S C 0.206 174.810 174.600 0.006 0.000 1.230 135 S CA -0.373 57.830 58.200 0.005 0.000 1.107 135 S CB 0.094 63.295 63.200 0.002 0.000 0.942 135 S HN 0.098 nan 8.310 nan 0.000 0.502 136 V N 9.311 129.229 119.914 0.007 0.000 2.475 136 V HA 0.235 4.356 4.120 0.001 0.000 0.292 136 V C -1.711 174.386 176.094 0.006 0.000 1.003 136 V CA -0.634 61.670 62.300 0.007 0.000 1.120 136 V CB -0.014 31.813 31.823 0.007 0.000 0.937 136 V HN 0.981 nan 8.190 nan 0.000 0.476 137 P HA -0.218 nan 4.420 nan 0.000 0.015 137 P C 0.260 177.563 177.300 0.005 0.000 0.772 137 P CA 1.038 64.141 63.100 0.005 0.000 1.034 137 P CB -1.741 29.961 31.700 0.004 0.000 1.908 138 C N 1.320 120.623 119.300 0.005 0.000 2.627 138 C HA 0.380 4.841 4.460 0.001 0.000 0.404 138 C C 1.802 176.795 174.990 0.004 0.000 1.340 138 C CA 1.076 60.097 59.018 0.005 0.000 1.758 138 C CB -0.920 26.823 27.740 0.005 0.000 2.501 138 C HN 0.558 nan 8.230 nan 0.000 0.588 139 S N 1.550 117.252 115.700 0.003 0.000 2.874 139 S HA 0.211 4.682 4.470 0.001 0.000 0.257 139 S C -0.742 173.859 174.600 0.001 0.000 0.975 139 S CA -0.210 57.991 58.200 0.003 0.000 1.326 139 S CB -0.273 62.929 63.200 0.003 0.000 1.215 139 S HN 0.885 nan 8.310 nan 0.000 0.679 140 D N -0.227 120.174 120.400 0.001 0.000 2.581 140 D HA 0.603 5.244 4.640 0.001 0.000 0.232 140 D C 0.478 176.777 176.300 -0.002 0.000 1.143 140 D CA -0.700 53.300 54.000 -0.001 0.000 0.881 140 D CB 1.230 42.029 40.800 -0.001 0.000 1.500 140 D HN -0.170 nan 8.370 nan 0.000 0.458 141 S N -0.057 115.642 115.700 -0.003 0.000 2.447 141 S HA -0.135 4.336 4.470 0.001 0.000 0.233 141 S C 1.514 176.110 174.600 -0.006 0.000 1.006 141 S CA 0.876 59.073 58.200 -0.005 0.000 0.957 141 S CB -0.259 62.938 63.200 -0.005 0.000 0.773 141 S HN 0.582 nan 8.310 nan 0.000 0.507 142 K N 1.581 121.978 120.400 -0.005 0.000 2.057 142 K HA 0.008 4.329 4.320 0.001 0.000 0.206 142 K C 2.230 178.826 176.600 -0.007 0.000 1.050 142 K CA 1.081 57.364 56.287 -0.007 0.000 0.935 142 K CB -0.340 32.156 32.500 -0.006 0.000 0.715 142 K HN 0.267 nan 8.250 nan 0.000 0.439 143 A N 1.469 124.287 122.820 -0.004 0.000 1.877 143 A HA -0.150 4.171 4.320 0.001 0.000 0.216 143 A C 2.100 179.681 177.584 -0.004 0.000 1.186 143 A CA 1.613 53.648 52.037 -0.003 0.000 0.620 143 A CB -0.654 18.346 19.000 -0.001 0.000 0.822 143 A HN 0.356 nan 8.150 nan 0.000 0.443 144 I N -0.213 120.355 120.570 -0.004 0.000 2.127 144 I HA -0.320 3.851 4.170 0.001 0.000 0.241 144 I C 3.012 179.124 176.117 -0.008 0.000 1.075 144 I CA 1.230 62.527 61.300 -0.005 0.000 1.334 144 I CB -0.433 37.564 38.000 -0.004 0.000 1.040 144 I HN 0.364 nan 8.210 nan 0.000 0.405 145 A N 0.021 122.836 122.820 -0.010 0.000 1.908 145 A HA -0.284 4.036 4.320 0.001 0.000 0.218 145 A C 2.253 179.829 177.584 -0.013 0.000 1.181 145 A CA 1.818 53.847 52.037 -0.013 0.000 0.627 145 A CB -0.654 18.339 19.000 -0.012 0.000 0.818 145 A HN 0.504 nan 8.150 nan 0.000 0.445 146 Q N -0.542 119.251 119.800 -0.012 0.000 2.016 146 Q HA -0.113 4.228 4.340 0.001 0.000 0.200 146 Q C 2.271 178.264 176.000 -0.012 0.000 0.978 146 Q CA 2.038 57.833 55.803 -0.014 0.000 0.833 146 Q CB -0.487 28.243 28.738 -0.013 0.000 0.895 146 Q HN 0.748 nan 8.270 nan 0.000 0.427 147 V N -2.103 117.806 119.914 -0.008 0.000 2.490 147 V HA -0.083 4.038 4.120 0.001 0.000 0.250 147 V C 1.951 178.041 176.094 -0.006 0.000 1.061 147 V CA 2.044 64.341 62.300 -0.004 0.000 1.064 147 V CB -1.413 30.412 31.823 0.002 0.000 0.670 147 V HN 0.357 nan 8.190 nan 0.000 0.461 148 G N 0.120 108.914 108.800 -0.010 0.000 2.402 148 G HA2 -0.171 3.789 3.960 0.001 0.000 0.216 148 G HA3 -0.171 3.789 3.960 0.001 0.000 0.216 148 G C 1.564 176.454 174.900 -0.016 0.000 1.162 148 G CA 1.367 46.458 45.100 -0.015 0.000 0.777 148 G HN 0.498 nan 8.290 nan 0.000 0.539 149 T N 1.299 115.843 114.554 -0.016 0.000 2.821 149 T HA -0.067 4.284 4.350 0.001 0.000 0.267 149 T C 2.326 177.015 174.700 -0.019 0.000 1.046 149 T CA 0.809 62.898 62.100 -0.019 0.000 1.139 149 T CB -0.079 68.777 68.868 -0.021 0.000 0.871 149 T HN 0.113 nan 8.240 nan 0.000 0.454 150 I N 0.975 121.535 120.570 -0.017 0.000 2.202 150 I HA -0.114 4.057 4.170 0.001 0.000 0.242 150 I C 2.671 178.782 176.117 -0.009 0.000 1.091 150 I CA 1.035 62.325 61.300 -0.015 0.000 1.368 150 I CB -0.699 37.293 38.000 -0.013 0.000 1.058 150 I HN 0.153 nan 8.210 nan 0.000 0.410 151 S N 0.130 115.827 115.700 -0.005 0.000 2.348 151 S HA -0.138 4.332 4.470 0.001 0.000 0.221 151 S C 2.165 176.763 174.600 -0.003 0.000 1.033 151 S CA 1.351 59.551 58.200 0.001 0.000 1.010 151 S CB -0.444 62.759 63.200 0.004 0.000 0.891 151 S HN 0.440 nan 8.310 nan 0.000 0.442 152 A N 0.619 123.433 122.820 -0.009 0.000 2.239 152 A HA 0.167 4.488 4.320 0.001 0.000 0.209 152 A C 0.909 178.487 177.584 -0.012 0.000 1.171 152 A CA 0.822 52.852 52.037 -0.011 0.000 0.768 152 A CB -0.705 18.285 19.000 -0.016 0.000 0.790 152 A HN 0.801 nan 8.150 nan 0.000 0.478 153 N N -1.667 117.026 118.700 -0.013 0.000 3.006 153 N HA -0.180 4.561 4.740 0.001 0.000 0.246 153 N C -0.041 175.457 175.510 -0.021 0.000 1.128 153 N CA 0.604 53.645 53.050 -0.015 0.000 0.697 153 N CB -1.183 37.298 38.487 -0.010 0.000 1.057 153 N HN 0.378 nan 8.380 nan 0.000 0.557 154 S N -1.093 114.593 115.700 -0.024 0.000 2.742 154 S HA -0.136 4.335 4.470 0.001 0.000 0.267 154 S C -0.408 174.178 174.600 -0.023 0.000 1.372 154 S CA 0.506 58.690 58.200 -0.027 0.000 1.072 154 S CB -0.776 62.405 63.200 -0.032 0.000 1.330 154 S HN 0.596 nan 8.310 nan 0.000 0.701 155 D N 2.127 122.515 120.400 -0.020 0.000 2.498 155 D HA 0.150 4.791 4.640 0.001 0.000 0.229 155 D C 1.161 177.449 176.300 -0.019 0.000 1.188 155 D CA 0.097 54.086 54.000 -0.018 0.000 1.028 155 D CB 0.184 40.974 40.800 -0.016 0.000 1.087 155 D HN 0.542 nan 8.370 nan 0.000 0.510 156 E N 0.425 120.614 120.200 -0.019 0.000 2.273 156 E HA -0.179 4.172 4.350 0.001 0.000 0.198 156 E C 1.646 178.235 176.600 -0.017 0.000 1.002 156 E CA 1.254 57.643 56.400 -0.019 0.000 0.828 156 E CB 0.210 29.898 29.700 -0.019 0.000 0.747 156 E HN 0.540 nan 8.360 nan 0.000 0.491 157 T N -0.433 114.111 114.554 -0.016 0.000 2.770 157 T HA -0.082 4.269 4.350 0.001 0.000 0.263 157 T C 2.184 176.874 174.700 -0.017 0.000 1.039 157 T CA 0.740 62.830 62.100 -0.015 0.000 1.142 157 T CB -0.514 68.345 68.868 -0.014 0.000 0.868 157 T HN -0.032 nan 8.240 nan 0.000 0.435 158 V N 2.084 121.987 119.914 -0.018 0.000 2.343 158 V HA -0.066 4.055 4.120 0.001 0.000 0.247 158 V C 2.989 179.070 176.094 -0.022 0.000 1.051 158 V CA 1.918 64.205 62.300 -0.021 0.000 1.036 158 V CB -1.506 30.304 31.823 -0.023 0.000 0.654 158 V HN 0.667 nan 8.190 nan 0.000 0.451 159 G N -0.003 108.785 108.800 -0.020 0.000 2.459 159 G HA2 -0.351 3.609 3.960 0.001 0.000 0.217 159 G HA3 -0.351 3.609 3.960 0.001 0.000 0.217 159 G C 1.569 176.458 174.900 -0.017 0.000 1.183 159 G CA 1.297 46.386 45.100 -0.018 0.000 0.776 159 G HN 0.467 nan 8.290 nan 0.000 0.552 160 K N 0.204 120.595 120.400 -0.016 0.000 2.020 160 K HA -0.084 4.237 4.320 0.001 0.000 0.212 160 K C 2.350 178.941 176.600 -0.015 0.000 1.050 160 K CA 1.370 57.649 56.287 -0.014 0.000 0.929 160 K CB -0.843 31.649 32.500 -0.014 0.000 0.714 160 K HN 0.242 nan 8.250 nan 0.000 0.443 161 L N 0.736 121.949 121.223 -0.016 0.000 1.989 161 L HA -0.083 4.258 4.340 0.001 0.000 0.211 161 L C 2.149 179.008 176.870 -0.018 0.000 1.071 161 L CA 1.796 56.626 54.840 -0.017 0.000 0.749 161 L CB -0.520 41.527 42.059 -0.019 0.000 0.890 161 L HN 0.348 nan 8.230 nan 0.000 0.431 162 I N -0.459 120.098 120.570 -0.021 0.000 2.179 162 I HA -0.275 3.896 4.170 0.001 0.000 0.242 162 I C 2.507 178.614 176.117 -0.017 0.000 1.088 162 I CA 1.265 62.551 61.300 -0.023 0.000 1.357 162 I CB -0.652 37.331 38.000 -0.029 0.000 1.051 162 I HN 0.368 nan 8.210 nan 0.000 0.409 163 A N 0.036 122.847 122.820 -0.015 0.000 2.066 163 A HA -0.146 4.175 4.320 0.001 0.000 0.218 163 A C 2.141 179.719 177.584 -0.010 0.000 1.157 163 A CA 1.310 53.340 52.037 -0.011 0.000 0.670 163 A CB -0.387 18.607 19.000 -0.011 0.000 0.804 163 A HN 0.462 nan 8.150 nan 0.000 0.453 164 E N -0.559 119.635 120.200 -0.010 0.000 2.216 164 E HA 0.116 4.467 4.350 0.001 0.000 0.192 164 E C 2.230 178.825 176.600 -0.009 0.000 0.973 164 E CA 0.531 56.925 56.400 -0.009 0.000 0.851 164 E CB -0.117 29.577 29.700 -0.010 0.000 0.804 164 E HN 0.572 nan 8.360 nan 0.000 0.477 165 A N 1.450 124.263 122.820 -0.011 0.000 1.933 165 A HA -0.161 4.160 4.320 0.001 0.000 0.218 165 A C 2.166 179.745 177.584 -0.008 0.000 1.175 165 A CA 1.193 53.224 52.037 -0.010 0.000 0.628 165 A CB -0.411 18.581 19.000 -0.013 0.000 0.814 165 A HN 0.121 nan 8.150 nan 0.000 0.444 166 M N -0.941 118.654 119.600 -0.008 0.000 2.229 166 M HA -0.146 4.334 4.480 0.001 0.000 0.264 166 M C 1.818 178.116 176.300 -0.004 0.000 1.063 166 M CA 1.844 57.141 55.300 -0.005 0.000 1.114 166 M CB -0.456 32.141 32.600 -0.005 0.000 1.387 166 M HN 0.482 nan 8.290 nan 0.000 0.420 167 D N 0.447 120.844 120.400 -0.005 0.000 2.178 167 D HA -0.126 4.515 4.640 0.001 0.000 0.202 167 D C 1.787 178.084 176.300 -0.004 0.000 0.974 167 D CA 1.247 55.245 54.000 -0.004 0.000 0.841 167 D CB 0.260 41.057 40.800 -0.005 0.000 0.953 167 D HN -0.028 nan 8.370 nan 0.000 0.478 168 K N -0.390 120.007 120.400 -0.005 0.000 2.116 168 K HA 0.032 4.353 4.320 0.001 0.000 0.203 168 K C 1.989 178.587 176.600 -0.003 0.000 1.052 168 K CA 1.058 57.342 56.287 -0.005 0.000 0.952 168 K CB -0.298 32.199 32.500 -0.006 0.000 0.729 168 K HN 0.266 nan 8.250 nan 0.000 0.446 169 V N -3.444 116.469 119.914 -0.003 0.000 3.471 169 V HA 0.376 4.497 4.120 0.001 0.000 0.258 169 V C 0.861 176.955 176.094 0.001 0.000 1.192 169 V CA 0.393 62.693 62.300 -0.001 0.000 1.116 169 V CB -0.717 31.106 31.823 -0.000 0.000 0.792 169 V HN 0.276 nan 8.190 nan 0.000 0.459 170 G N 1.020 109.821 108.800 0.000 0.000 2.860 170 G HA2 -0.249 3.712 3.960 0.001 0.000 0.553 170 G HA3 -0.249 3.712 3.960 0.001 0.000 0.553 170 G C 0.197 175.099 174.900 0.003 0.000 1.439 170 G CA 0.239 45.340 45.100 0.001 0.000 0.879 170 G HN 0.449 nan 8.290 nan 0.000 0.545 171 K N 0.090 120.492 120.400 0.004 0.000 2.063 171 K HA -0.104 4.216 4.320 0.001 0.000 0.208 171 K C 1.709 178.313 176.600 0.007 0.000 1.048 171 K CA 1.836 58.126 56.287 0.006 0.000 0.928 171 K CB -0.057 32.446 32.500 0.005 0.000 0.713 171 K HN 0.511 nan 8.250 nan 0.000 0.442 172 E N 0.365 120.569 120.200 0.006 0.000 2.444 172 E HA 0.082 4.433 4.350 0.001 0.000 0.191 172 E C 0.670 177.273 176.600 0.006 0.000 1.041 172 E CA -0.009 56.394 56.400 0.006 0.000 0.883 172 E CB 0.702 30.405 29.700 0.004 0.000 1.024 172 E HN 0.261 nan 8.360 nan 0.000 0.470 173 G N 0.390 109.193 108.800 0.006 0.000 2.547 173 G HA2 0.423 4.384 3.960 0.001 0.000 0.291 173 G HA3 0.423 4.384 3.960 0.001 0.000 0.291 173 G C -0.491 174.414 174.900 0.009 0.000 1.211 173 G CA -0.305 44.798 45.100 0.006 0.000 0.950 173 G HN -0.004 nan 8.290 nan 0.000 0.504 174 V N 0.427 120.346 119.914 0.009 0.000 2.638 174 V HA 0.370 4.490 4.120 0.001 0.000 0.306 174 V C -0.365 175.734 176.094 0.008 0.000 1.052 174 V CA -0.489 61.819 62.300 0.013 0.000 0.885 174 V CB 1.723 33.556 31.823 0.018 0.000 0.999 174 V HN 0.589 nan 8.190 nan 0.000 0.424 175 I N 4.487 125.060 120.570 0.005 0.000 2.385 175 I HA 0.613 4.783 4.170 0.001 0.000 0.294 175 I C 0.626 176.744 176.117 0.001 0.000 0.988 175 I CA -0.020 61.279 61.300 -0.003 0.000 1.265 175 I CB 1.964 39.955 38.000 -0.015 0.000 1.388 175 I HN 0.804 nan 8.210 nan 0.000 0.480 176 T N 2.672 117.227 114.554 0.002 0.000 2.807 176 T HA 0.791 5.142 4.350 0.001 0.000 0.277 176 T C -0.764 173.934 174.700 -0.002 0.000 1.006 176 T CA -0.873 61.232 62.100 0.009 0.000 1.006 176 T CB 2.129 71.009 68.868 0.020 0.000 1.274 176 T HN 0.393 nan 8.240 nan 0.000 0.569 177 V N -0.198 119.719 119.914 0.005 0.000 2.969 177 V HA 0.660 4.780 4.120 0.001 0.000 0.304 177 V C -1.952 174.148 176.094 0.009 0.000 1.192 177 V CA -0.518 61.781 62.300 -0.001 0.000 0.962 177 V CB 2.040 33.856 31.823 -0.013 0.000 1.045 177 V HN 1.104 nan 8.190 nan 0.000 0.428 178 E N 2.932 123.135 120.200 0.006 0.000 2.314 178 E HA 0.400 4.751 4.350 0.001 0.000 0.272 178 E C -1.750 174.853 176.600 0.005 0.000 0.884 178 E CA -0.840 55.565 56.400 0.008 0.000 0.753 178 E CB 2.171 31.875 29.700 0.007 0.000 1.213 178 E HN 0.785 nan 8.360 nan 0.000 0.432 179 D N 1.617 122.022 120.400 0.008 0.000 2.349 179 D HA 0.255 4.895 4.640 0.001 0.000 0.266 179 D C 0.186 176.487 176.300 0.003 0.000 1.293 179 D CA 0.403 54.407 54.000 0.006 0.000 0.926 179 D CB 0.781 41.586 40.800 0.008 0.000 1.090 179 D HN 0.433 nan 8.370 nan 0.000 0.502 180 G N 0.297 109.097 108.800 0.000 0.000 2.552 180 G HA2 0.429 4.390 3.960 0.001 0.000 0.318 180 G HA3 0.429 4.390 3.960 0.001 0.000 0.318 180 G C 0.805 175.704 174.900 -0.002 0.000 1.240 180 G CA -0.686 44.413 45.100 -0.002 0.000 1.002 180 G HN 0.420 nan 8.290 nan 0.000 0.493 181 T N -2.660 111.892 114.554 -0.003 0.000 3.069 181 T HA 0.347 4.698 4.350 0.001 0.000 0.252 181 T C 1.137 175.835 174.700 -0.003 0.000 1.053 181 T CA 0.389 62.487 62.100 -0.003 0.000 0.964 181 T CB 0.328 69.194 68.868 -0.003 0.000 1.005 181 T HN 0.716 nan 8.240 nan 0.000 0.532 182 G N 0.920 109.718 108.800 -0.004 0.000 2.572 182 G HA2 0.517 4.478 3.960 0.001 0.000 0.261 182 G HA3 0.517 4.478 3.960 0.001 0.000 0.261 182 G C 0.355 175.253 174.900 -0.004 0.000 1.197 182 G CA -0.818 44.279 45.100 -0.005 0.000 0.870 182 G HN 0.420 nan 8.290 nan 0.000 0.548 183 L N 0.229 121.449 121.223 -0.004 0.000 2.629 183 L HA 0.212 4.553 4.340 0.001 0.000 0.230 183 L C 0.088 176.955 176.870 -0.005 0.000 1.151 183 L CA -0.061 54.777 54.840 -0.004 0.000 0.924 183 L CB -0.587 41.469 42.059 -0.004 0.000 1.137 183 L HN 0.597 nan 8.230 nan 0.000 0.457 184 Q N -2.491 117.305 119.800 -0.006 0.000 2.791 184 Q HA 0.329 4.670 4.340 0.001 0.000 0.280 184 Q C -1.656 174.339 176.000 -0.007 0.000 0.928 184 Q CA -0.876 54.923 55.803 -0.007 0.000 0.819 184 Q CB 0.343 29.076 28.738 -0.007 0.000 1.552 184 Q HN -0.090 nan 8.270 nan 0.000 0.410 185 D N 0.125 120.520 120.400 -0.008 0.000 2.340 185 D HA 0.640 5.280 4.640 0.001 0.000 0.251 185 D C -0.507 175.787 176.300 -0.009 0.000 1.080 185 D CA -0.510 53.485 54.000 -0.009 0.000 0.971 185 D CB 1.284 42.078 40.800 -0.010 0.000 1.137 185 D HN 0.505 nan 8.370 nan 0.000 0.475 186 E N -0.056 120.138 120.200 -0.010 0.000 2.459 186 E HA 0.667 5.017 4.350 0.001 0.000 0.275 186 E C -1.884 174.709 176.600 -0.011 0.000 0.987 186 E CA -0.927 55.466 56.400 -0.010 0.000 0.828 186 E CB 2.279 31.973 29.700 -0.010 0.000 1.428 186 E HN 0.224 nan 8.360 nan 0.000 0.457 187 L N 1.256 122.472 121.223 -0.011 0.000 2.482 187 L HA 0.442 4.782 4.340 0.001 0.000 0.263 187 L C -1.903 174.960 176.870 -0.012 0.000 0.957 187 L CA -0.160 54.673 54.840 -0.012 0.000 0.836 187 L CB 2.197 44.249 42.059 -0.012 0.000 1.324 187 L HN 0.463 nan 8.230 nan 0.000 0.406 188 D N 2.082 122.474 120.400 -0.012 0.000 2.342 188 D HA 0.787 5.428 4.640 0.001 0.000 0.243 188 D C -1.319 174.973 176.300 -0.012 0.000 1.019 188 D CA -0.071 53.920 54.000 -0.014 0.000 0.864 188 D CB 2.482 43.272 40.800 -0.016 0.000 1.315 188 D HN 0.298 nan 8.370 nan 0.000 0.468 189 V N 1.725 121.631 119.914 -0.013 0.000 2.668 189 V HA 0.431 4.552 4.120 0.001 0.000 0.304 189 V C -0.835 175.252 176.094 -0.013 0.000 1.071 189 V CA -0.810 61.484 62.300 -0.011 0.000 0.894 189 V CB 2.003 33.820 31.823 -0.010 0.000 1.008 189 V HN 0.318 nan 8.190 nan 0.000 0.425 190 V N 3.588 123.496 119.914 -0.010 0.000 2.444 190 V HA 0.462 4.583 4.120 0.001 0.000 0.294 190 V C -0.193 175.899 176.094 -0.005 0.000 1.022 190 V CA -0.659 61.635 62.300 -0.010 0.000 0.850 190 V CB 1.886 33.703 31.823 -0.010 0.000 0.992 190 V HN 0.823 nan 8.190 nan 0.000 0.426 191 E N 3.706 123.903 120.200 -0.006 0.000 2.105 191 E HA 0.552 4.903 4.350 0.001 0.000 0.285 191 E C 0.752 177.353 176.600 0.001 0.000 1.055 191 E CA 0.861 57.259 56.400 -0.003 0.000 0.843 191 E CB 1.439 31.136 29.700 -0.005 0.000 1.067 191 E HN 1.002 nan 8.360 nan 0.000 0.398 192 G N 3.506 112.311 108.800 0.008 0.000 2.513 192 G HA2 -0.255 3.705 3.960 0.001 0.000 0.227 192 G HA3 -0.255 3.705 3.960 0.001 0.000 0.227 192 G C -0.416 174.501 174.900 0.028 0.000 1.176 192 G CA -0.083 45.028 45.100 0.017 0.000 0.967 192 G HN 0.503 nan 8.290 nan 0.000 0.587 193 M N 1.259 120.886 119.600 0.045 0.000 2.067 193 M HA 0.601 5.082 4.480 0.001 0.000 0.286 193 M C -0.347 176.006 176.300 0.087 0.000 0.922 193 M CA -0.453 54.899 55.300 0.087 0.000 0.937 193 M CB 1.475 34.150 32.600 0.125 0.000 1.550 193 M HN 0.777 nan 8.290 nan 0.000 0.433 194 Q N 4.485 124.315 119.800 0.049 0.000 2.222 194 Q HA 0.712 5.053 4.340 0.001 0.000 0.252 194 Q C -1.735 174.327 176.000 0.104 0.000 0.926 194 Q CA -0.577 55.207 55.803 -0.032 0.000 0.899 194 Q CB 1.312 30.015 28.738 -0.057 0.000 1.250 194 Q HN 0.700 nan 8.270 nan 0.000 0.441 195 F N -0.603 119.334 119.950 -0.021 0.000 2.645 195 F HA 0.410 4.938 4.527 0.001 0.000 0.310 195 F C -1.070 174.716 175.800 -0.024 0.000 1.102 195 F CA -1.329 56.656 58.000 -0.027 0.000 0.952 195 F CB 1.045 40.025 39.000 -0.034 0.000 1.326 195 F HN 0.293 nan 8.300 nan 0.000 0.456 196 D N 2.678 123.195 120.400 0.196 0.000 2.455 196 D HA 0.302 4.942 4.640 0.001 0.000 0.234 196 D C -0.568 175.830 176.300 0.165 0.000 1.224 196 D CA 0.531 54.593 54.000 0.103 0.000 0.999 196 D CB 0.266 41.119 40.800 0.088 0.000 1.072 196 D HN 0.548 nan 8.370 nan 0.000 0.514 197 R N 0.449 120.999 120.500 0.083 0.000 2.678 197 R HA 0.413 4.753 4.340 0.001 0.000 0.267 197 R C -0.072 176.188 176.300 -0.066 0.000 1.173 197 R CA -0.510 55.641 56.100 0.084 0.000 1.061 197 R CB 1.299 31.779 30.300 0.300 0.000 1.262 197 R HN 0.357 nan 8.270 nan 0.000 0.427 198 G N 1.366 110.091 108.800 -0.126 0.000 2.537 198 G HA2 0.300 4.261 3.960 0.001 0.000 0.297 198 G HA3 0.300 4.261 3.960 0.001 0.000 0.297 198 G C -0.734 174.056 174.900 -0.184 0.000 1.310 198 G CA -0.529 44.403 45.100 -0.280 0.000 1.027 198 G HN 0.529 nan 8.290 nan 0.000 0.505 199 Y N -1.305 119.004 120.300 0.015 0.000 2.683 199 Y HA 0.242 4.793 4.550 0.001 0.000 0.340 199 Y C 1.297 177.235 175.900 0.063 0.000 1.245 199 Y CA -0.848 57.278 58.100 0.043 0.000 1.485 199 Y CB 0.323 38.804 38.460 0.035 0.000 1.328 199 Y HN 0.192 nan 8.280 nan 0.000 0.603 200 L N 1.365 122.759 121.223 0.286 0.000 2.395 200 L HA 0.025 4.365 4.340 0.001 0.000 0.218 200 L C 0.798 177.828 176.870 0.267 0.000 1.130 200 L CA 1.202 56.176 54.840 0.225 0.000 0.826 200 L CB -0.074 42.081 42.059 0.161 0.000 0.941 200 L HN 0.793 nan 8.230 nan 0.000 0.451 201 S N -1.681 114.208 115.700 0.316 0.000 2.543 201 S HA 0.367 4.838 4.470 0.001 0.000 0.271 201 S C -2.210 172.374 174.600 -0.027 0.000 1.148 201 S CA -0.969 57.368 58.200 0.230 0.000 0.914 201 S CB 1.725 65.056 63.200 0.218 0.000 1.096 201 S HN -0.183 nan 8.310 nan 0.000 0.471 202 P HA 0.082 nan 4.420 nan 0.000 0.236 202 P C 0.484 177.558 177.300 -0.376 0.000 1.177 202 P CA 0.454 63.173 63.100 -0.635 0.000 0.773 202 P CB -0.170 31.240 31.700 -0.484 0.000 0.878 203 Y N -1.446 118.795 120.300 -0.099 0.000 2.619 203 Y HA 0.097 4.648 4.550 0.001 0.000 0.308 203 Y C 1.479 177.433 175.900 0.091 0.000 1.192 203 Y CA 0.622 58.714 58.100 -0.013 0.000 1.319 203 Y CB -0.690 37.771 38.460 0.000 0.000 1.030 203 Y HN -0.035 nan 8.280 nan 0.000 0.517 204 F N -0.432 119.494 119.950 -0.039 0.000 2.814 204 F HA 0.347 4.874 4.527 0.001 0.000 0.326 204 F C -0.009 175.728 175.800 -0.105 0.000 1.159 204 F CA -0.471 57.503 58.000 -0.044 0.000 1.234 204 F CB 0.264 39.263 39.000 -0.003 0.000 1.016 204 F HN -0.210 nan 8.300 nan 0.000 0.510 205 I N 3.147 123.594 120.570 -0.205 0.000 2.755 205 I HA -0.125 4.046 4.170 0.001 0.000 0.303 205 I C 0.722 176.723 176.117 -0.193 0.000 1.168 205 I CA 0.162 61.301 61.300 -0.267 0.000 1.588 205 I CB -0.228 37.603 38.000 -0.282 0.000 1.509 205 I HN 0.373 nan 8.210 nan 0.000 0.734 206 N N 4.442 122.971 118.700 -0.284 0.000 2.515 206 N HA -0.084 4.656 4.740 0.001 0.000 0.185 206 N C 0.206 175.645 175.510 -0.119 0.000 1.109 206 N CA 0.651 53.594 53.050 -0.178 0.000 0.903 206 N CB 0.240 38.563 38.487 -0.273 0.000 0.969 206 N HN 0.197 nan 8.380 nan 0.000 0.450 207 K N 0.721 121.045 120.400 -0.126 0.000 2.562 207 K HA 0.275 4.596 4.320 0.001 0.000 0.206 207 K C -2.118 174.438 176.600 -0.073 0.000 1.033 207 K CA -1.909 54.329 56.287 -0.082 0.000 1.029 207 K CB 1.896 34.351 32.500 -0.075 0.000 1.393 207 K HN -0.003 nan 8.250 nan 0.000 0.539 208 P HA -0.161 nan 4.420 nan 0.000 0.220 208 P C 0.511 177.785 177.300 -0.042 0.000 1.144 208 P CA 1.179 64.244 63.100 -0.059 0.000 0.800 208 P CB 0.487 32.156 31.700 -0.052 0.000 0.772 209 E N -1.292 118.886 120.200 -0.037 0.000 2.204 209 E HA -0.103 4.248 4.350 0.001 0.000 0.194 209 E C 1.787 178.371 176.600 -0.027 0.000 0.989 209 E CA 1.755 58.138 56.400 -0.028 0.000 0.824 209 E CB -1.101 28.584 29.700 -0.026 0.000 0.756 209 E HN 0.408 nan 8.360 nan 0.000 0.477 210 T N -4.855 109.681 114.554 -0.031 0.000 2.990 210 T HA 0.345 4.696 4.350 0.001 0.000 0.250 210 T C 1.650 176.340 174.700 -0.017 0.000 1.041 210 T CA 0.224 62.309 62.100 -0.026 0.000 1.010 210 T CB 0.570 69.419 68.868 -0.031 0.000 1.003 210 T HN 0.227 nan 8.240 nan 0.000 0.499 211 G N 1.396 110.183 108.800 -0.021 0.000 2.143 211 G HA2 0.046 4.007 3.960 0.001 0.000 0.249 211 G HA3 0.046 4.007 3.960 0.001 0.000 0.249 211 G C 0.194 175.112 174.900 0.030 0.000 0.981 211 G CA -0.018 45.083 45.100 0.001 0.000 0.665 211 G HN 1.203 nan 8.290 nan 0.000 0.528 212 A N -0.805 122.007 122.820 -0.014 0.000 2.330 212 A HA 0.867 5.188 4.320 0.001 0.000 0.329 212 A C 0.135 177.659 177.584 -0.100 0.000 1.135 212 A CA -0.167 51.862 52.037 -0.013 0.000 0.817 212 A CB 1.798 20.780 19.000 -0.030 0.000 1.269 212 A HN 1.172 nan 8.150 nan 0.000 0.469 213 V N 1.816 121.662 119.914 -0.114 0.000 2.406 213 V HA 0.212 4.333 4.120 0.001 0.000 0.272 213 V C 0.120 176.095 176.094 -0.197 0.000 1.043 213 V CA -0.258 61.885 62.300 -0.263 0.000 0.915 213 V CB 0.598 32.254 31.823 -0.278 0.000 0.988 213 V HN 0.881 nan 8.190 nan 0.000 0.466 214 E N 5.189 125.258 120.200 -0.218 0.000 2.200 214 E HA 0.475 4.826 4.350 0.001 0.000 0.283 214 E C -1.022 175.492 176.600 -0.144 0.000 1.015 214 E CA -0.398 55.916 56.400 -0.143 0.000 0.819 214 E CB 1.538 31.174 29.700 -0.106 0.000 1.081 214 E HN 0.544 nan 8.360 nan 0.000 0.397 215 L N 3.408 124.584 121.223 -0.079 0.000 2.318 215 L HA 0.302 4.643 4.340 0.001 0.000 0.277 215 L C -0.169 176.688 176.870 -0.022 0.000 1.008 215 L CA -0.712 54.112 54.840 -0.026 0.000 0.846 215 L CB 1.202 43.269 42.059 0.012 0.000 1.220 215 L HN 0.456 nan 8.230 nan 0.000 0.423 216 E N 2.067 122.256 120.200 -0.019 0.000 2.229 216 E HA 0.138 4.489 4.350 0.001 0.000 0.283 216 E C 0.612 177.182 176.600 -0.050 0.000 1.030 216 E CA 0.069 56.451 56.400 -0.030 0.000 0.836 216 E CB 1.055 30.743 29.700 -0.022 0.000 1.068 216 E HN 0.493 nan 8.360 nan 0.000 0.401 217 S N 4.014 119.675 115.700 -0.066 0.000 3.486 217 S HA -0.117 4.354 4.470 0.001 0.000 0.371 217 S C -2.357 172.133 174.600 -0.183 0.000 1.001 217 S CA 0.405 58.538 58.200 -0.112 0.000 1.164 217 S CB -0.937 62.193 63.200 -0.117 0.000 0.911 217 S HN 0.536 nan 8.310 nan 0.000 0.472 218 P HA 0.429 nan 4.420 nan 0.000 0.279 218 P C 0.071 177.289 177.300 -0.137 0.000 1.252 218 P CA -0.671 62.366 63.100 -0.106 0.000 0.811 218 P CB 0.390 32.101 31.700 0.018 0.000 1.035 219 F N 0.714 120.691 119.950 0.044 0.000 2.418 219 F HA 0.361 4.889 4.527 0.001 0.000 0.341 219 F C 0.970 176.799 175.800 0.048 0.000 1.120 219 F CA 0.056 58.080 58.000 0.040 0.000 1.232 219 F CB 0.188 39.208 39.000 0.035 0.000 1.175 219 F HN 0.049 nan 8.300 nan 0.000 0.569 220 I N 4.116 124.843 120.570 0.261 0.000 2.500 220 I HA 0.257 4.427 4.170 0.001 0.000 0.286 220 I C -1.361 174.828 176.117 0.120 0.000 1.063 220 I CA -0.756 60.641 61.300 0.161 0.000 1.062 220 I CB 1.919 39.997 38.000 0.129 0.000 1.223 220 I HN 0.287 nan 8.210 nan 0.000 0.435 221 L N 7.848 129.127 121.223 0.092 0.000 2.295 221 L HA 0.619 4.960 4.340 0.001 0.000 0.285 221 L C -1.097 175.801 176.870 0.047 0.000 1.035 221 L CA -0.108 54.764 54.840 0.053 0.000 0.806 221 L CB 1.172 43.253 42.059 0.037 0.000 1.214 221 L HN 0.446 nan 8.230 nan 0.000 0.426 222 L N 5.628 126.869 121.223 0.030 0.000 2.341 222 L HA 0.888 5.229 4.340 0.001 0.000 0.278 222 L C -0.419 176.455 176.870 0.008 0.000 1.005 222 L CA -0.690 54.160 54.840 0.017 0.000 0.818 222 L CB 1.662 43.725 42.059 0.007 0.000 1.259 222 L HN 0.769 nan 8.230 nan 0.000 0.418 223 A N 1.534 124.357 122.820 0.005 0.000 2.402 223 A HA 0.307 4.628 4.320 0.001 0.000 0.291 223 A C -0.645 176.938 177.584 -0.001 0.000 1.051 223 A CA -0.496 51.542 52.037 0.003 0.000 0.716 223 A CB 1.160 20.166 19.000 0.009 0.000 1.223 223 A HN 0.765 nan 8.150 nan 0.000 0.425 224 D N 2.186 122.582 120.400 -0.006 0.000 3.060 224 D HA 0.183 4.824 4.640 0.001 0.000 0.245 224 D C -0.325 175.975 176.300 0.000 0.000 1.274 224 D CA 0.162 54.159 54.000 -0.006 0.000 0.864 224 D CB 0.135 40.928 40.800 -0.012 0.000 1.073 224 D HN 0.523 nan 8.370 nan 0.000 0.473 225 K N -0.189 120.213 120.400 0.004 0.000 2.443 225 K HA 0.280 4.601 4.320 0.001 0.000 0.252 225 K C -0.461 176.145 176.600 0.011 0.000 0.933 225 K CA -1.024 55.267 56.287 0.007 0.000 0.792 225 K CB 1.321 33.824 32.500 0.005 0.000 1.185 225 K HN -0.199 nan 8.250 nan 0.000 0.425 226 K N 3.862 124.270 120.400 0.013 0.000 2.382 226 K HA 0.226 4.547 4.320 0.001 0.000 0.275 226 K C -0.574 176.036 176.600 0.017 0.000 1.009 226 K CA -0.257 56.041 56.287 0.018 0.000 0.970 226 K CB 0.387 32.898 32.500 0.019 0.000 0.934 226 K HN 0.637 nan 8.250 nan 0.000 0.479 227 I N 1.861 122.443 120.570 0.021 0.000 2.566 227 I HA 0.071 4.241 4.170 0.001 0.000 0.303 227 I C 0.801 176.929 176.117 0.018 0.000 0.983 227 I CA -0.312 60.999 61.300 0.019 0.000 1.235 227 I CB 1.833 39.847 38.000 0.023 0.000 1.386 227 I HN 0.947 nan 8.210 nan 0.000 0.494 228 S N 2.486 118.194 115.700 0.014 0.000 2.874 228 S HA 0.237 4.708 4.470 0.001 0.000 0.271 228 S C -0.097 174.507 174.600 0.008 0.000 1.061 228 S CA -0.148 58.059 58.200 0.012 0.000 1.029 228 S CB 0.229 63.435 63.200 0.010 0.000 0.925 228 S HN 0.756 nan 8.310 nan 0.000 0.459 229 N N 0.856 119.560 118.700 0.006 0.000 2.314 229 N HA 0.441 5.181 4.740 0.001 0.000 0.304 229 N C 0.157 175.667 175.510 0.000 0.000 1.073 229 N CA -0.427 52.624 53.050 0.002 0.000 0.822 229 N CB 1.698 40.185 38.487 0.000 0.000 1.280 229 N HN 0.055 nan 8.380 nan 0.000 0.489 230 I N 1.870 122.438 120.570 -0.003 0.000 2.454 230 I HA -0.126 4.045 4.170 0.001 0.000 0.254 230 I C 2.337 178.450 176.117 -0.007 0.000 1.156 230 I CA 1.194 62.490 61.300 -0.005 0.000 1.433 230 I CB -0.285 37.709 38.000 -0.010 0.000 1.082 230 I HN 0.600 nan 8.210 nan 0.000 0.432 231 R N 0.663 121.159 120.500 -0.007 0.000 2.191 231 R HA -0.322 4.019 4.340 0.001 0.000 0.248 231 R C 1.971 178.266 176.300 -0.008 0.000 1.127 231 R CA 2.709 58.804 56.100 -0.007 0.000 0.943 231 R CB -0.436 29.860 30.300 -0.006 0.000 0.891 231 R HN 0.440 nan 8.270 nan 0.000 0.439 232 E N -0.765 119.432 120.200 -0.006 0.000 2.358 232 E HA -0.065 4.286 4.350 0.001 0.000 0.195 232 E C 1.812 178.407 176.600 -0.008 0.000 1.010 232 E CA 0.782 57.178 56.400 -0.006 0.000 0.856 232 E CB 0.125 29.823 29.700 -0.004 0.000 0.795 232 E HN 0.330 nan 8.360 nan 0.000 0.504 233 M N -0.035 119.561 119.600 -0.008 0.000 2.419 233 M HA 0.024 4.505 4.480 0.001 0.000 0.264 233 M C 1.827 178.117 176.300 -0.016 0.000 1.082 233 M CA 0.847 56.142 55.300 -0.010 0.000 1.119 233 M CB -0.354 32.243 32.600 -0.005 0.000 1.398 233 M HN 0.204 nan 8.290 nan 0.000 0.453 234 L N 0.078 121.291 121.223 -0.016 0.000 2.089 234 L HA -0.231 4.110 4.340 0.001 0.000 0.213 234 L C -0.441 176.414 176.870 -0.024 0.000 1.079 234 L CA 1.633 56.462 54.840 -0.019 0.000 0.758 234 L CB -2.396 39.653 42.059 -0.017 0.000 0.891 234 L HN 0.189 nan 8.230 nan 0.000 0.433 235 P HA -0.136 nan 4.420 nan 0.000 0.215 235 P C 1.945 179.217 177.300 -0.046 0.000 1.157 235 P CA 1.206 64.286 63.100 -0.033 0.000 0.868 235 P CB 0.034 31.715 31.700 -0.031 0.000 0.788 236 V N -0.720 119.165 119.914 -0.049 0.000 2.427 236 V HA -0.185 3.935 4.120 0.001 0.000 0.248 236 V C 2.468 178.524 176.094 -0.063 0.000 1.051 236 V CA 1.282 63.540 62.300 -0.069 0.000 1.048 236 V CB -1.176 30.612 31.823 -0.059 0.000 0.666 236 V HN 0.065 nan 8.190 nan 0.000 0.456 237 L N 0.068 121.267 121.223 -0.040 0.000 1.989 237 L HA -0.227 4.114 4.340 0.001 0.000 0.211 237 L C 2.710 179.561 176.870 -0.032 0.000 1.071 237 L CA 2.144 56.966 54.840 -0.031 0.000 0.749 237 L CB -0.254 41.791 42.059 -0.024 0.000 0.890 237 L HN 0.374 nan 8.230 nan 0.000 0.431 238 E N -0.157 120.023 120.200 -0.033 0.000 2.204 238 E HA -0.184 4.167 4.350 0.001 0.000 0.194 238 E C 1.885 178.462 176.600 -0.037 0.000 0.989 238 E CA 1.319 57.702 56.400 -0.030 0.000 0.824 238 E CB -0.038 29.647 29.700 -0.026 0.000 0.756 238 E HN 0.486 nan 8.360 nan 0.000 0.477 239 A N -0.187 122.598 122.820 -0.058 0.000 1.898 239 A HA -0.082 4.238 4.320 0.001 0.000 0.216 239 A C 2.421 179.953 177.584 -0.086 0.000 1.181 239 A CA 1.439 53.426 52.037 -0.084 0.000 0.620 239 A CB -0.576 18.348 19.000 -0.126 0.000 0.819 239 A HN 0.190 nan 8.150 nan 0.000 0.442 240 V N -0.090 119.776 119.914 -0.081 0.000 2.667 240 V HA -0.154 3.967 4.120 0.001 0.000 0.252 240 V C 2.914 179.024 176.094 0.028 0.000 1.065 240 V CA 1.456 63.744 62.300 -0.020 0.000 1.083 240 V CB -0.969 30.858 31.823 0.006 0.000 0.692 240 V HN 0.588 nan 8.190 nan 0.000 0.468 241 A N -0.086 122.736 122.820 0.004 0.000 2.131 241 A HA -0.215 4.105 4.320 0.001 0.000 0.220 241 A C 2.241 179.834 177.584 0.016 0.000 1.158 241 A CA 1.801 53.842 52.037 0.008 0.000 0.665 241 A CB -0.265 18.732 19.000 -0.006 0.000 0.795 241 A HN 0.613 nan 8.150 nan 0.000 0.460 242 K N -1.107 119.302 120.400 0.015 0.000 2.214 242 K HA 0.286 4.606 4.320 0.001 0.000 0.201 242 K C 2.050 178.683 176.600 0.055 0.000 1.049 242 K CA 0.743 57.044 56.287 0.024 0.000 0.978 242 K CB -0.025 32.480 32.500 0.008 0.000 0.842 242 K HN 0.305 nan 8.250 nan 0.000 0.474 243 A N 0.629 123.498 122.820 0.083 0.000 2.123 243 A HA 0.225 4.546 4.320 0.001 0.000 0.214 243 A C 1.712 179.445 177.584 0.248 0.000 1.152 243 A CA 1.129 53.279 52.037 0.187 0.000 0.728 243 A CB -0.485 18.635 19.000 0.201 0.000 0.814 243 A HN 0.415 nan 8.150 nan 0.000 0.464 244 G N -0.384 108.525 108.800 0.181 0.000 2.507 244 G HA2 -0.356 3.605 3.960 0.001 0.000 0.240 244 G HA3 -0.356 3.605 3.960 0.001 0.000 0.240 244 G C 0.491 175.464 174.900 0.122 0.000 1.119 244 G CA 0.815 45.987 45.100 0.122 0.000 0.664 244 G HN 0.614 nan 8.290 nan 0.000 0.516 245 K N 2.238 122.717 120.400 0.132 0.000 2.436 245 K HA 0.424 4.745 4.320 0.001 0.000 0.275 245 K C -2.154 174.522 176.600 0.126 0.000 0.999 245 K CA -1.029 55.255 56.287 -0.005 0.000 0.980 245 K CB 0.432 32.686 32.500 -0.410 0.000 0.919 245 K HN 0.175 nan 8.250 nan 0.000 0.484 246 P HA -0.075 nan 4.420 nan 0.000 0.267 246 P C -1.089 176.335 177.300 0.208 0.000 1.200 246 P CA -0.206 62.992 63.100 0.164 0.000 0.772 246 P CB 0.431 32.242 31.700 0.186 0.000 0.855 247 L N 3.833 125.185 121.223 0.214 0.000 2.317 247 L HA 0.557 4.898 4.340 0.001 0.000 0.281 247 L C -1.172 175.811 176.870 0.187 0.000 1.024 247 L CA -0.779 54.191 54.840 0.216 0.000 0.810 247 L CB 1.307 43.462 42.059 0.160 0.000 1.240 247 L HN 0.139 nan 8.230 nan 0.000 0.427 248 L N 5.791 127.119 121.223 0.174 0.000 2.296 248 L HA 0.587 4.927 4.340 0.001 0.000 0.286 248 L C -0.956 175.992 176.870 0.130 0.000 1.023 248 L CA -0.098 54.835 54.840 0.156 0.000 0.812 248 L CB 1.180 43.327 42.059 0.147 0.000 1.223 248 L HN 0.521 nan 8.230 nan 0.000 0.421 249 I N 6.572 127.212 120.570 0.117 0.000 2.312 249 I HA 0.288 4.459 4.170 0.001 0.000 0.291 249 I C -0.064 176.115 176.117 0.103 0.000 1.031 249 I CA 0.255 61.611 61.300 0.093 0.000 1.293 249 I CB 0.710 38.755 38.000 0.075 0.000 1.403 249 I HN 0.418 nan 8.210 nan 0.000 0.484 250 I N 6.830 127.454 120.570 0.090 0.000 2.361 250 I HA 0.545 4.716 4.170 0.001 0.000 0.282 250 I C 0.210 176.354 176.117 0.046 0.000 1.075 250 I CA -0.298 61.052 61.300 0.084 0.000 1.205 250 I CB 0.407 38.457 38.000 0.082 0.000 1.406 250 I HN 0.623 nan 8.210 nan 0.000 0.481 251 A N 4.162 127.011 122.820 0.048 0.000 2.340 251 A HA 0.367 4.688 4.320 0.001 0.000 0.331 251 A C 1.151 178.751 177.584 0.026 0.000 1.140 251 A CA -0.570 51.486 52.037 0.032 0.000 0.801 251 A CB 1.325 20.347 19.000 0.037 0.000 1.234 251 A HN 0.793 nan 8.150 nan 0.000 0.469 252 E N 0.664 120.873 120.200 0.015 0.000 2.136 252 E HA -0.251 4.099 4.350 0.001 0.000 0.208 252 E C 0.104 176.720 176.600 0.027 0.000 1.035 252 E CA 2.224 58.632 56.400 0.013 0.000 0.838 252 E CB 0.107 29.814 29.700 0.012 0.000 0.748 252 E HN 0.690 nan 8.360 nan 0.000 0.459 253 D N -2.190 118.229 120.400 0.032 0.000 2.671 253 D HA 0.329 4.969 4.640 0.001 0.000 0.273 253 D C -1.866 174.457 176.300 0.039 0.000 1.264 253 D CA -0.422 53.602 54.000 0.039 0.000 0.788 253 D CB 2.148 42.971 40.800 0.037 0.000 1.324 253 D HN -0.046 nan 8.370 nan 0.000 0.424 254 V N 1.386 121.326 119.914 0.044 0.000 2.891 254 V HA 0.560 4.681 4.120 0.001 0.000 0.304 254 V C -0.181 175.939 176.094 0.042 0.000 1.171 254 V CA -0.648 61.678 62.300 0.043 0.000 0.943 254 V CB 1.982 33.837 31.823 0.054 0.000 1.037 254 V HN 0.717 nan 8.190 nan 0.000 0.427 255 E N 2.558 122.779 120.200 0.034 0.000 2.269 255 E HA 0.767 5.118 4.350 0.001 0.000 0.243 255 E C 0.342 176.956 176.600 0.023 0.000 1.114 255 E CA -0.302 56.116 56.400 0.031 0.000 0.896 255 E CB 1.378 31.095 29.700 0.028 0.000 1.811 255 E HN 1.511 nan 8.360 nan 0.000 0.472 256 G N 1.049 109.860 108.800 0.018 0.000 2.512 256 G HA2 -0.361 3.600 3.960 0.001 0.000 0.254 256 G HA3 -0.361 3.600 3.960 0.001 0.000 0.254 256 G C 0.464 175.368 174.900 0.007 0.000 1.199 256 G CA 0.838 45.945 45.100 0.011 0.000 0.941 256 G HN 0.792 nan 8.290 nan 0.000 0.569 257 E N 0.394 120.596 120.200 0.002 0.000 2.400 257 E HA 0.572 4.923 4.350 0.001 0.000 0.195 257 E C 2.479 179.077 176.600 -0.004 0.000 1.012 257 E CA 1.678 58.076 56.400 -0.004 0.000 0.875 257 E CB -0.381 29.315 29.700 -0.007 0.000 0.859 257 E HN 1.262 nan 8.360 nan 0.000 0.498 258 A N 1.410 124.232 122.820 0.003 0.000 1.883 258 A HA -0.132 4.189 4.320 0.001 0.000 0.217 258 A C 2.147 179.736 177.584 0.008 0.000 1.186 258 A CA 1.590 53.630 52.037 0.005 0.000 0.624 258 A CB -0.733 18.274 19.000 0.012 0.000 0.822 258 A HN 0.319 nan 8.150 nan 0.000 0.444 259 L N -0.357 120.876 121.223 0.016 0.000 2.027 259 L HA -0.016 4.325 4.340 0.001 0.000 0.206 259 L C 2.717 179.589 176.870 0.005 0.000 1.074 259 L CA 2.176 57.031 54.840 0.025 0.000 0.745 259 L CB -0.933 41.152 42.059 0.043 0.000 0.898 259 L HN 0.359 nan 8.230 nan 0.000 0.433 260 A N -0.805 122.008 122.820 -0.011 0.000 1.859 260 A HA -0.292 4.028 4.320 0.001 0.000 0.217 260 A C 2.364 179.921 177.584 -0.045 0.000 1.198 260 A CA 3.081 55.095 52.037 -0.038 0.000 0.629 260 A CB -1.575 17.403 19.000 -0.037 0.000 0.830 260 A HN 0.629 nan 8.150 nan 0.000 0.446 261 T N -1.303 113.231 114.554 -0.033 0.000 2.788 261 T HA -0.089 4.261 4.350 0.001 0.000 0.268 261 T C 1.822 176.498 174.700 -0.040 0.000 1.044 261 T CA 1.505 63.584 62.100 -0.036 0.000 1.139 261 T CB -0.595 68.257 68.868 -0.026 0.000 0.867 261 T HN 0.290 nan 8.240 nan 0.000 0.454 262 L N 0.512 121.716 121.223 -0.032 0.000 2.056 262 L HA -0.031 4.310 4.340 0.001 0.000 0.207 262 L C 2.976 179.807 176.870 -0.066 0.000 1.078 262 L CA 0.815 55.630 54.840 -0.041 0.000 0.749 262 L CB -0.617 41.434 42.059 -0.013 0.000 0.901 262 L HN 0.165 nan 8.230 nan 0.000 0.433 263 V N -0.765 119.120 119.914 -0.049 0.000 2.343 263 V HA -0.244 3.876 4.120 0.001 0.000 0.247 263 V C 2.427 178.468 176.094 -0.087 0.000 1.051 263 V CA 1.455 63.720 62.300 -0.059 0.000 1.036 263 V CB -0.174 31.622 31.823 -0.046 0.000 0.654 263 V HN 0.183 nan 8.190 nan 0.000 0.451 264 V N 0.405 120.267 119.914 -0.086 0.000 2.332 264 V HA -0.279 3.842 4.120 0.001 0.000 0.248 264 V C 2.334 178.383 176.094 -0.075 0.000 1.055 264 V CA 2.224 64.476 62.300 -0.081 0.000 1.038 264 V CB -0.799 30.983 31.823 -0.069 0.000 0.651 264 V HN 0.594 nan 8.190 nan 0.000 0.450 265 N N -0.232 118.422 118.700 -0.078 0.000 2.120 265 N HA -0.146 4.595 4.740 0.001 0.000 0.188 265 N C 1.888 177.330 175.510 -0.113 0.000 1.024 265 N CA 2.016 55.017 53.050 -0.081 0.000 0.852 265 N CB -0.131 38.312 38.487 -0.073 0.000 1.003 265 N HN 0.474 nan 8.380 nan 0.000 0.424 266 T N 1.481 115.934 114.554 -0.168 0.000 2.708 266 T HA -0.103 4.248 4.350 0.001 0.000 0.266 266 T C 1.882 176.480 174.700 -0.169 0.000 1.037 266 T CA 0.847 62.782 62.100 -0.275 0.000 1.146 266 T CB -0.119 68.464 68.868 -0.476 0.000 0.865 266 T HN 0.238 nan 8.240 nan 0.000 0.435 267 M N 0.222 119.764 119.600 -0.098 0.000 2.549 267 M HA 0.014 4.495 4.480 0.001 0.000 0.260 267 M C 1.346 177.626 176.300 -0.033 0.000 1.076 267 M CA 1.216 56.495 55.300 -0.037 0.000 1.090 267 M CB 0.076 32.660 32.600 -0.027 0.000 1.418 267 M HN -0.096 nan 8.290 nan 0.000 0.486 268 R N -0.655 119.816 120.500 -0.049 0.000 2.397 268 R HA 0.282 4.622 4.340 0.001 0.000 0.241 268 R C 1.083 177.361 176.300 -0.036 0.000 0.914 268 R CA 0.704 56.782 56.100 -0.037 0.000 1.071 268 R CB -0.157 30.121 30.300 -0.037 0.000 1.116 268 R HN 0.516 nan 8.270 nan 0.000 0.524 269 G N 0.715 109.484 108.800 -0.051 0.000 2.189 269 G HA2 -0.293 3.668 3.960 0.001 0.000 0.267 269 G HA3 -0.293 3.668 3.960 0.001 0.000 0.267 269 G C 0.909 175.787 174.900 -0.038 0.000 0.975 269 G CA 0.596 45.672 45.100 -0.041 0.000 0.644 269 G HN 0.224 nan 8.290 nan 0.000 0.537 270 I N 0.294 120.838 120.570 -0.043 0.000 2.179 270 I HA 0.026 4.197 4.170 0.001 0.000 0.242 270 I C 1.693 177.793 176.117 -0.029 0.000 1.088 270 I CA 2.266 63.547 61.300 -0.031 0.000 1.357 270 I CB -1.514 36.467 38.000 -0.032 0.000 1.051 270 I HN 0.645 nan 8.210 nan 0.000 0.409 271 V N -1.526 118.358 119.914 -0.049 0.000 2.925 271 V HA 0.521 4.641 4.120 0.001 0.000 0.311 271 V C -0.648 175.371 176.094 -0.125 0.000 1.104 271 V CA -1.137 61.133 62.300 -0.050 0.000 0.954 271 V CB 2.231 34.038 31.823 -0.028 0.000 1.022 271 V HN 0.117 nan 8.190 nan 0.000 0.427 272 K N 3.306 123.620 120.400 -0.143 0.000 2.389 272 K HA 0.750 5.071 4.320 0.001 0.000 0.261 272 K C -0.820 175.535 176.600 -0.409 0.000 1.014 272 K CA -0.530 55.526 56.287 -0.385 0.000 0.920 272 K CB 1.833 34.222 32.500 -0.185 0.000 1.149 272 K HN 0.989 nan 8.250 nan 0.000 0.444 273 V N -1.062 118.497 119.914 -0.591 0.000 3.007 273 V HA 0.932 5.053 4.120 0.001 0.000 0.311 273 V C -0.969 175.144 176.094 0.032 0.000 1.120 273 V CA -1.000 61.233 62.300 -0.112 0.000 0.980 273 V CB 1.794 33.592 31.823 -0.042 0.000 1.033 273 V HN 0.691 nan 8.190 nan 0.000 0.429 274 A N 2.130 125.113 122.820 0.272 0.000 2.386 274 A HA 1.111 5.432 4.320 0.001 0.000 0.308 274 A C -0.137 177.566 177.584 0.198 0.000 1.128 274 A CA -0.390 51.843 52.037 0.328 0.000 0.789 274 A CB 1.850 21.070 19.000 0.367 0.000 1.325 274 A HN 2.627 nan 8.150 nan 0.000 0.437 275 A N -0.270 122.664 122.820 0.190 0.000 2.549 275 A HA 0.775 5.096 4.320 0.001 0.000 0.297 275 A C -0.727 176.955 177.584 0.163 0.000 1.061 275 A CA 0.043 52.171 52.037 0.152 0.000 0.690 275 A CB 1.272 20.345 19.000 0.121 0.000 1.287 275 A HN 2.329 nan 8.150 nan 0.000 0.402 276 V N -1.130 118.874 119.914 0.150 0.000 3.007 276 V HA 0.654 4.774 4.120 0.001 0.000 0.311 276 V C -0.537 175.636 176.094 0.132 0.000 1.120 276 V CA -1.285 61.106 62.300 0.153 0.000 0.980 276 V CB 1.640 33.575 31.823 0.186 0.000 1.033 276 V HN 0.880 nan 8.190 nan 0.000 0.429 277 K N 2.052 122.524 120.400 0.120 0.000 2.355 277 K HA 0.599 4.920 4.320 0.001 0.000 0.270 277 K C 0.515 177.169 176.600 0.090 0.000 1.003 277 K CA 0.351 56.694 56.287 0.093 0.000 0.957 277 K CB 1.112 33.661 32.500 0.082 0.000 0.939 277 K HN 1.130 nan 8.250 nan 0.000 0.482 278 A N 4.410 127.248 122.820 0.030 0.000 2.483 278 A HA 0.167 4.488 4.320 0.001 0.000 0.238 278 A C -1.876 175.645 177.584 -0.105 0.000 1.070 278 A CA -0.940 51.065 52.037 -0.054 0.000 0.770 278 A CB -0.454 18.512 19.000 -0.056 0.000 1.008 278 A HN 0.490 nan 8.150 nan 0.000 0.497 279 P HA 0.379 nan 4.420 nan 0.000 0.274 279 P C 0.946 178.119 177.300 -0.212 0.000 1.260 279 P CA 1.092 63.989 63.100 -0.339 0.000 0.793 279 P CB 0.370 31.601 31.700 -0.782 0.000 1.048 280 G N 0.382 109.058 108.800 -0.206 0.000 2.556 280 G HA2 -0.109 3.852 3.960 0.001 0.000 0.283 280 G HA3 -0.109 3.852 3.960 0.001 0.000 0.283 280 G C -0.632 174.129 174.900 -0.230 0.000 1.177 280 G CA 0.543 45.402 45.100 -0.403 0.000 0.978 280 G HN 0.833 nan 8.290 nan 0.000 0.554 281 F N -3.194 116.754 119.950 -0.004 0.000 2.765 281 F HA 0.620 5.148 4.527 0.001 0.000 0.313 281 F C 0.858 176.664 175.800 0.010 0.000 1.136 281 F CA 0.203 58.209 58.000 0.009 0.000 0.952 281 F CB 0.297 39.312 39.000 0.025 0.000 1.268 281 F HN 2.434 nan 8.300 nan 0.000 0.441 282 G N 1.316 110.285 108.800 0.281 0.000 2.594 282 G HA2 -0.292 3.669 3.960 0.001 0.000 0.297 282 G HA3 -0.292 3.669 3.960 0.001 0.000 0.297 282 G C 0.425 175.377 174.900 0.087 0.000 1.273 282 G CA 0.662 45.870 45.100 0.179 0.000 0.974 282 G HN 1.012 nan 8.290 nan 0.000 0.552 283 D N 0.297 120.737 120.400 0.066 0.000 2.263 283 D HA -0.090 4.551 4.640 0.001 0.000 0.208 283 D C 2.274 178.553 176.300 -0.034 0.000 0.971 283 D CA 1.068 55.076 54.000 0.013 0.000 0.867 283 D CB -0.046 40.763 40.800 0.014 0.000 0.929 283 D HN 0.485 nan 8.370 nan 0.000 0.492 284 R N 1.437 121.903 120.500 -0.057 0.000 2.237 284 R HA -0.093 4.248 4.340 0.001 0.000 0.219 284 R C 2.187 178.372 176.300 -0.193 0.000 1.080 284 R CA 0.443 56.443 56.100 -0.168 0.000 0.995 284 R CB 0.039 30.164 30.300 -0.292 0.000 0.875 284 R HN 0.051 nan 8.270 nan 0.000 0.462 285 R N 1.026 121.448 120.500 -0.129 0.000 2.082 285 R HA -0.152 4.189 4.340 0.001 0.000 0.228 285 R C 1.760 177.995 176.300 -0.109 0.000 1.140 285 R CA 2.009 58.039 56.100 -0.116 0.000 0.920 285 R CB -0.134 30.135 30.300 -0.050 0.000 0.828 285 R HN 0.140 nan 8.270 nan 0.000 0.430 286 K N 0.002 120.360 120.400 -0.070 0.000 2.074 286 K HA -0.169 4.152 4.320 0.001 0.000 0.209 286 K C 2.131 178.686 176.600 -0.074 0.000 1.048 286 K CA 1.518 57.769 56.287 -0.060 0.000 0.926 286 K CB -0.223 32.255 32.500 -0.037 0.000 0.713 286 K HN 0.305 nan 8.250 nan 0.000 0.444 287 A N 1.461 124.230 122.820 -0.084 0.000 1.851 287 A HA -0.197 4.124 4.320 0.001 0.000 0.216 287 A C 2.157 179.676 177.584 -0.107 0.000 1.195 287 A CA 1.754 53.737 52.037 -0.089 0.000 0.622 287 A CB -0.513 18.428 19.000 -0.098 0.000 0.831 287 A HN 0.198 nan 8.150 nan 0.000 0.444 288 M N -1.405 118.107 119.600 -0.148 0.000 2.296 288 M HA -0.060 4.420 4.480 0.001 0.000 0.265 288 M C 2.096 178.285 176.300 -0.184 0.000 1.064 288 M CA 0.881 56.074 55.300 -0.179 0.000 1.109 288 M CB -0.257 32.192 32.600 -0.251 0.000 1.396 288 M HN 0.439 nan 8.290 nan 0.000 0.430 289 L N 0.422 121.547 121.223 -0.163 0.000 2.093 289 L HA -0.193 4.148 4.340 0.001 0.000 0.208 289 L C 2.410 179.233 176.870 -0.079 0.000 1.085 289 L CA 1.853 56.617 54.840 -0.127 0.000 0.755 289 L CB -0.537 41.460 42.059 -0.103 0.000 0.904 289 L HN 0.230 nan 8.230 nan 0.000 0.435 290 Q N -0.614 119.145 119.800 -0.068 0.000 2.230 290 Q HA -0.157 4.184 4.340 0.001 0.000 0.202 290 Q C 1.696 177.671 176.000 -0.042 0.000 0.963 290 Q CA 1.572 57.348 55.803 -0.046 0.000 0.866 290 Q CB -0.168 28.546 28.738 -0.041 0.000 0.931 290 Q HN 0.519 nan 8.270 nan 0.000 0.452 291 D N -0.044 120.323 120.400 -0.056 0.000 2.097 291 D HA -0.145 4.496 4.640 0.001 0.000 0.195 291 D C 1.822 178.104 176.300 -0.029 0.000 0.989 291 D CA 1.284 55.258 54.000 -0.044 0.000 0.827 291 D CB -0.175 40.592 40.800 -0.055 0.000 0.966 291 D HN 0.363 nan 8.370 nan 0.000 0.456 292 I N 1.367 121.912 120.570 -0.042 0.000 2.286 292 I HA -0.258 3.913 4.170 0.001 0.000 0.248 292 I C 2.526 178.644 176.117 0.002 0.000 1.115 292 I CA 0.949 62.241 61.300 -0.013 0.000 1.392 292 I CB -0.215 37.766 38.000 -0.032 0.000 1.065 292 I HN -0.080 nan 8.210 nan 0.000 0.418 293 A N 0.368 123.183 122.820 -0.009 0.000 1.883 293 A HA -0.226 4.095 4.320 0.001 0.000 0.217 293 A C 2.382 179.970 177.584 0.007 0.000 1.186 293 A CA 2.602 54.640 52.037 0.002 0.000 0.624 293 A CB -1.134 17.862 19.000 -0.007 0.000 0.822 293 A HN 0.384 nan 8.150 nan 0.000 0.444 294 T N -0.176 114.378 114.554 0.000 0.000 2.951 294 T HA -0.051 4.300 4.350 0.001 0.000 0.268 294 T C 1.750 176.456 174.700 0.009 0.000 1.073 294 T CA 1.218 63.320 62.100 0.003 0.000 1.134 294 T CB -0.239 68.627 68.868 -0.003 0.000 0.884 294 T HN 0.297 nan 8.240 nan 0.000 0.479 295 L N 1.943 123.173 121.223 0.011 0.000 2.093 295 L HA -0.033 4.308 4.340 0.001 0.000 0.208 295 L C 2.409 179.294 176.870 0.025 0.000 1.085 295 L CA 1.972 56.823 54.840 0.018 0.000 0.755 295 L CB -0.738 41.336 42.059 0.024 0.000 0.904 295 L HN 0.396 nan 8.230 nan 0.000 0.435 296 T N -5.635 108.937 114.554 0.031 0.000 2.969 296 T HA 0.395 4.746 4.350 0.001 0.000 0.250 296 T C 1.427 176.154 174.700 0.045 0.000 1.021 296 T CA 0.359 62.484 62.100 0.042 0.000 1.003 296 T CB 0.344 69.245 68.868 0.055 0.000 1.040 296 T HN 0.512 nan 8.240 nan 0.000 0.492 297 G N 0.843 109.665 108.800 0.037 0.000 2.157 297 G HA2 0.006 3.967 3.960 0.001 0.000 0.239 297 G HA3 0.006 3.967 3.960 0.001 0.000 0.239 297 G C 0.374 175.298 174.900 0.040 0.000 0.982 297 G CA -0.210 44.912 45.100 0.037 0.000 0.650 297 G HN 1.013 nan 8.290 nan 0.000 0.527 298 G N -0.451 108.373 108.800 0.041 0.000 2.448 298 G HA2 0.584 4.545 3.960 0.001 0.000 0.285 298 G HA3 0.584 4.545 3.960 0.001 0.000 0.285 298 G C 0.134 175.046 174.900 0.020 0.000 1.176 298 G CA 0.445 45.569 45.100 0.039 0.000 0.852 298 G HN 0.479 nan 8.290 nan 0.000 0.530 299 T N 0.591 115.153 114.554 0.014 0.000 2.884 299 T HA 0.257 4.608 4.350 0.001 0.000 0.298 299 T C 0.437 175.139 174.700 0.002 0.000 0.998 299 T CA -0.143 61.960 62.100 0.004 0.000 1.124 299 T CB 1.364 70.231 68.868 -0.001 0.000 0.931 299 T HN 0.242 nan 8.240 nan 0.000 0.531 300 V N 5.141 125.053 119.914 -0.003 0.000 2.389 300 V HA 0.182 4.303 4.120 0.001 0.000 0.264 300 V C 0.288 176.378 176.094 -0.006 0.000 1.049 300 V CA -0.613 61.683 62.300 -0.007 0.000 0.932 300 V CB 0.069 31.884 31.823 -0.014 0.000 1.011 300 V HN 0.699 nan 8.190 nan 0.000 0.475 301 I N 4.582 125.149 120.570 -0.005 0.000 2.389 301 I HA 0.064 4.235 4.170 0.001 0.000 0.295 301 I C 0.964 177.078 176.117 -0.005 0.000 1.117 301 I CA 1.039 62.336 61.300 -0.005 0.000 1.317 301 I CB 0.856 38.854 38.000 -0.004 0.000 1.431 301 I HN 0.543 nan 8.210 nan 0.000 0.521 302 S N 5.336 121.033 115.700 -0.006 0.000 2.921 302 S HA 0.172 4.643 4.470 0.001 0.000 0.244 302 S C 1.255 175.852 174.600 -0.004 0.000 1.291 302 S CA -0.562 57.635 58.200 -0.006 0.000 1.010 302 S CB -0.135 63.061 63.200 -0.007 0.000 1.255 302 S HN 0.707 nan 8.310 nan 0.000 0.492 303 E N 2.360 122.559 120.200 -0.002 0.000 2.333 303 E HA -0.129 4.222 4.350 0.001 0.000 0.198 303 E C 1.300 177.900 176.600 -0.001 0.000 1.007 303 E CA 0.865 57.264 56.400 -0.001 0.000 0.845 303 E CB 0.163 29.863 29.700 -0.000 0.000 0.766 303 E HN 0.751 nan 8.360 nan 0.000 0.507 304 E N 0.012 120.212 120.200 -0.000 0.000 2.265 304 E HA -0.164 4.187 4.350 0.001 0.000 0.196 304 E C 1.616 178.216 176.600 -0.001 0.000 0.996 304 E CA 1.051 57.451 56.400 0.000 0.000 0.832 304 E CB -0.110 29.591 29.700 0.001 0.000 0.756 304 E HN 0.530 nan 8.360 nan 0.000 0.491 305 I N -4.531 116.038 120.570 -0.002 0.000 3.927 305 I HA 0.454 4.624 4.170 0.001 0.000 0.332 305 I C 0.937 177.053 176.117 -0.002 0.000 1.485 305 I CA 0.068 61.367 61.300 -0.002 0.000 1.131 305 I CB 0.642 38.640 38.000 -0.003 0.000 1.092 305 I HN 0.025 nan 8.210 nan 0.000 0.410 306 G N 1.821 110.620 108.800 -0.002 0.000 2.157 306 G HA2 -0.256 3.705 3.960 0.001 0.000 0.239 306 G HA3 -0.256 3.705 3.960 0.001 0.000 0.239 306 G C 0.182 175.080 174.900 -0.003 0.000 0.982 306 G CA -0.047 45.051 45.100 -0.002 0.000 0.650 306 G HN 0.423 nan 8.290 nan 0.000 0.527 307 M N 2.065 121.663 119.600 -0.004 0.000 2.685 307 M HA 0.178 4.659 4.480 0.001 0.000 0.316 307 M C 0.441 176.738 176.300 -0.005 0.000 1.523 307 M CA 0.519 55.816 55.300 -0.005 0.000 1.472 307 M CB -0.089 32.508 32.600 -0.005 0.000 1.525 307 M HN 0.219 nan 8.290 nan 0.000 0.471 308 E N 2.135 122.332 120.200 -0.005 0.000 2.351 308 E HA -0.063 4.288 4.350 0.001 0.000 0.266 308 E C 0.755 177.351 176.600 -0.007 0.000 1.031 308 E CA -0.288 56.108 56.400 -0.005 0.000 0.911 308 E CB 0.999 30.695 29.700 -0.006 0.000 0.986 308 E HN 0.547 nan 8.360 nan 0.000 0.446 309 L N 4.066 125.286 121.223 -0.006 0.000 2.275 309 L HA -0.140 4.200 4.340 0.001 0.000 0.215 309 L C 1.287 178.150 176.870 -0.011 0.000 1.119 309 L CA 1.677 56.512 54.840 -0.008 0.000 0.790 309 L CB -0.177 41.880 42.059 -0.004 0.000 0.919 309 L HN 0.507 nan 8.230 nan 0.000 0.443 310 E N 0.148 120.341 120.200 -0.010 0.000 2.520 310 E HA -0.162 4.189 4.350 0.001 0.000 0.201 310 E C 0.868 177.459 176.600 -0.015 0.000 1.122 310 E CA 0.605 56.998 56.400 -0.012 0.000 0.896 310 E CB -0.109 29.586 29.700 -0.010 0.000 0.891 310 E HN 0.621 nan 8.360 nan 0.000 0.533 311 K N -1.498 118.892 120.400 -0.016 0.000 2.625 311 K HA 0.357 4.678 4.320 0.001 0.000 0.190 311 K C 0.003 176.589 176.600 -0.024 0.000 1.174 311 K CA -0.333 55.942 56.287 -0.019 0.000 1.103 311 K CB 0.678 33.169 32.500 -0.016 0.000 0.900 311 K HN -0.020 nan 8.250 nan 0.000 0.540 312 A N 1.457 124.261 122.820 -0.026 0.000 2.445 312 A HA 0.464 4.785 4.320 0.001 0.000 0.242 312 A C 0.380 177.933 177.584 -0.051 0.000 1.075 312 A CA 0.606 52.622 52.037 -0.034 0.000 0.777 312 A CB 0.218 19.201 19.000 -0.030 0.000 1.013 312 A HN 0.577 nan 8.150 nan 0.000 0.493 313 T N -1.307 113.208 114.554 -0.065 0.000 2.618 313 T HA 0.460 4.811 4.350 0.001 0.000 0.293 313 T C 0.830 175.449 174.700 -0.135 0.000 1.093 313 T CA -0.442 61.604 62.100 -0.090 0.000 1.061 313 T CB 0.049 68.877 68.868 -0.066 0.000 1.498 313 T HN 0.326 nan 8.240 nan 0.000 0.494 314 L N 0.342 121.467 121.223 -0.164 0.000 2.353 314 L HA 0.026 4.367 4.340 0.001 0.000 0.220 314 L C 2.647 179.457 176.870 -0.099 0.000 1.133 314 L CA 1.499 56.213 54.840 -0.210 0.000 0.798 314 L CB -0.698 41.254 42.059 -0.178 0.000 0.922 314 L HN 0.769 nan 8.230 nan 0.000 0.445 315 E N 0.692 120.856 120.200 -0.060 0.000 2.204 315 E HA -0.209 4.142 4.350 0.001 0.000 0.195 315 E C 1.282 177.871 176.600 -0.018 0.000 0.990 315 E CA 1.281 57.665 56.400 -0.026 0.000 0.821 315 E CB 0.060 29.747 29.700 -0.023 0.000 0.750 315 E HN 0.423 nan 8.360 nan 0.000 0.477 316 D N -0.778 119.601 120.400 -0.036 0.000 2.433 316 D HA 0.093 4.734 4.640 0.001 0.000 0.211 316 D C -0.179 176.119 176.300 -0.003 0.000 1.114 316 D CA -0.052 53.937 54.000 -0.019 0.000 0.837 316 D CB 0.545 41.328 40.800 -0.029 0.000 0.984 316 D HN 0.199 nan 8.370 nan 0.000 0.505 317 L N 1.726 122.946 121.223 -0.006 0.000 2.255 317 L HA 0.374 4.715 4.340 0.001 0.000 0.289 317 L C 1.122 178.092 176.870 0.166 0.000 1.046 317 L CA -0.644 54.231 54.840 0.058 0.000 0.816 317 L CB 1.467 43.483 42.059 -0.073 0.000 1.197 317 L HN -0.164 nan 8.230 nan 0.000 0.427 318 G N 3.018 111.899 108.800 0.134 0.000 2.569 318 G HA2 0.429 4.389 3.960 0.001 0.000 0.249 318 G HA3 0.429 4.389 3.960 0.001 0.000 0.249 318 G C -0.575 174.414 174.900 0.149 0.000 1.216 318 G CA -0.179 44.993 45.100 0.121 0.000 0.845 318 G HN 0.632 nan 8.290 nan 0.000 0.568 319 Q N -1.241 118.616 119.800 0.095 0.000 2.501 319 Q HA 0.675 5.016 4.340 0.001 0.000 0.288 319 Q C -0.686 175.327 176.000 0.022 0.000 1.051 319 Q CA -0.858 54.974 55.803 0.048 0.000 0.788 319 Q CB 2.598 31.342 28.738 0.010 0.000 1.469 319 Q HN 0.878 nan 8.270 nan 0.000 0.416 320 A N 0.298 123.115 122.820 -0.005 0.000 2.602 320 A HA 0.396 4.717 4.320 0.001 0.000 0.290 320 A C -0.258 177.310 177.584 -0.026 0.000 1.114 320 A CA -0.574 51.460 52.037 -0.004 0.000 0.683 320 A CB 1.557 20.564 19.000 0.012 0.000 1.281 320 A HN 0.735 nan 8.150 nan 0.000 0.416 321 K N -0.422 119.966 120.400 -0.021 0.000 2.026 321 K HA -0.022 4.299 4.320 0.001 0.000 0.208 321 K C 0.403 176.985 176.600 -0.030 0.000 1.048 321 K CA 1.374 57.645 56.287 -0.027 0.000 0.929 321 K CB -0.004 32.484 32.500 -0.020 0.000 0.713 321 K HN 0.587 nan 8.250 nan 0.000 0.439 322 R N -0.457 120.029 120.500 -0.023 0.000 2.707 322 R HA 0.387 4.728 4.340 0.001 0.000 0.272 322 R C -1.710 174.580 176.300 -0.017 0.000 1.011 322 R CA -0.804 55.281 56.100 -0.025 0.000 0.893 322 R CB 2.663 32.945 30.300 -0.028 0.000 1.233 322 R HN -0.117 nan 8.270 nan 0.000 0.464 323 V N 2.265 122.169 119.914 -0.017 0.000 2.656 323 V HA 0.531 4.652 4.120 0.001 0.000 0.307 323 V C -0.656 175.415 176.094 -0.038 0.000 1.051 323 V CA -0.798 61.493 62.300 -0.016 0.000 0.893 323 V CB 2.166 33.997 31.823 0.014 0.000 0.999 323 V HN 0.418 nan 8.190 nan 0.000 0.426 324 V N 5.635 125.514 119.914 -0.058 0.000 2.540 324 V HA 0.598 4.719 4.120 0.001 0.000 0.302 324 V C -0.524 175.519 176.094 -0.084 0.000 1.035 324 V CA -0.385 61.873 62.300 -0.069 0.000 0.873 324 V CB 1.839 33.621 31.823 -0.068 0.000 0.992 324 V HN 0.709 nan 8.190 nan 0.000 0.428 325 I N 4.885 125.422 120.570 -0.055 0.000 2.545 325 I HA 0.570 4.741 4.170 0.001 0.000 0.292 325 I C -0.309 175.834 176.117 0.044 0.000 1.040 325 I CA -0.387 60.896 61.300 -0.028 0.000 1.068 325 I CB 2.221 40.244 38.000 0.039 0.000 1.251 325 I HN 0.883 nan 8.210 nan 0.000 0.424 326 N N 3.843 122.539 118.700 -0.008 0.000 3.379 326 N HA 0.353 5.093 4.740 0.001 0.000 0.350 326 N C 0.358 175.677 175.510 -0.318 0.000 1.553 326 N CA -1.009 52.054 53.050 0.022 0.000 0.712 326 N CB 0.590 39.063 38.487 -0.023 0.000 1.880 326 N HN 0.414 nan 8.380 nan 0.000 0.648 327 K N -1.250 118.975 120.400 -0.292 0.000 2.211 327 K HA -0.094 4.227 4.320 0.001 0.000 0.204 327 K C -0.282 176.076 176.600 -0.404 0.000 1.047 327 K CA 1.846 57.831 56.287 -0.503 0.000 0.935 327 K CB -0.104 32.311 32.500 -0.143 0.000 0.728 327 K HN 0.549 nan 8.250 nan 0.000 0.452 328 D N -1.028 119.221 120.400 -0.252 0.000 2.348 328 D HA 0.006 4.646 4.640 0.001 0.000 0.283 328 D C 0.203 176.418 176.300 -0.143 0.000 1.096 328 D CA 0.462 54.365 54.000 -0.161 0.000 0.863 328 D CB 1.092 41.832 40.800 -0.100 0.000 1.465 328 D HN 0.273 nan 8.370 nan 0.000 0.515 329 T N -1.115 113.335 114.554 -0.174 0.000 2.896 329 T HA 0.619 4.970 4.350 0.001 0.000 0.297 329 T C -0.577 173.945 174.700 -0.297 0.000 1.108 329 T CA -0.500 61.473 62.100 -0.212 0.000 1.004 329 T CB 2.635 71.402 68.868 -0.168 0.000 1.159 329 T HN -0.290 nan 8.240 nan 0.000 0.499 330 T N 1.861 116.094 114.554 -0.536 0.000 2.861 330 T HA 0.672 5.023 4.350 0.001 0.000 0.287 330 T C -0.824 173.489 174.700 -0.646 0.000 1.003 330 T CA -0.567 61.160 62.100 -0.623 0.000 0.977 330 T CB 1.691 70.041 68.868 -0.862 0.000 0.996 330 T HN 0.821 nan 8.240 nan 0.000 0.448 331 T N 3.453 117.809 114.554 -0.330 0.000 2.840 331 T HA 0.519 4.870 4.350 0.001 0.000 0.287 331 T C -0.071 174.571 174.700 -0.095 0.000 0.991 331 T CA -0.507 61.480 62.100 -0.188 0.000 0.964 331 T CB 0.575 69.371 68.868 -0.120 0.000 0.954 331 T HN 0.437 nan 8.240 nan 0.000 0.438 332 I N 4.165 124.721 120.570 -0.023 0.000 2.304 332 I HA 0.392 4.563 4.170 0.001 0.000 0.291 332 I C -0.207 175.918 176.117 0.014 0.000 1.018 332 I CA -0.554 60.761 61.300 0.025 0.000 1.260 332 I CB 0.781 38.836 38.000 0.091 0.000 1.390 332 I HN 0.478 nan 8.210 nan 0.000 0.475 333 I N 6.232 126.802 120.570 0.001 0.000 2.354 333 I HA 0.212 4.383 4.170 0.001 0.000 0.286 333 I C -0.510 175.607 176.117 -0.001 0.000 1.007 333 I CA -0.379 60.918 61.300 -0.004 0.000 1.167 333 I CB 0.966 38.956 38.000 -0.015 0.000 1.320 333 I HN 0.604 nan 8.210 nan 0.000 0.458 334 D N 5.302 125.704 120.400 0.004 0.000 4.044 334 D HA -0.116 4.525 4.640 0.001 0.000 0.242 334 D C 0.054 176.357 176.300 0.006 0.000 1.076 334 D CA 0.820 54.822 54.000 0.003 0.000 1.171 334 D CB -0.150 40.648 40.800 -0.003 0.000 0.866 334 D HN 0.789 nan 8.370 nan 0.000 0.413 335 G N 1.459 110.267 108.800 0.014 0.000 2.390 335 G HA2 0.415 4.375 3.960 0.001 0.000 0.270 335 G HA3 0.415 4.375 3.960 0.001 0.000 0.270 335 G C 1.353 176.262 174.900 0.015 0.000 1.211 335 G CA -0.355 44.757 45.100 0.019 0.000 0.842 335 G HN 0.400 nan 8.290 nan 0.000 0.519 336 V N 2.702 122.626 119.914 0.017 0.000 3.305 336 V HA 0.033 4.154 4.120 0.001 0.000 0.269 336 V C 2.113 178.219 176.094 0.020 0.000 1.157 336 V CA 0.965 63.275 62.300 0.016 0.000 1.157 336 V CB -0.950 30.883 31.823 0.016 0.000 0.772 336 V HN 0.794 nan 8.190 nan 0.000 0.498 337 G N 0.499 109.312 108.800 0.022 0.000 2.484 337 G HA2 0.140 4.101 3.960 0.001 0.000 0.235 337 G HA3 0.140 4.101 3.960 0.001 0.000 0.235 337 G C -0.285 174.624 174.900 0.014 0.000 1.282 337 G CA -0.321 44.791 45.100 0.020 0.000 0.857 337 G HN 0.488 nan 8.290 nan 0.000 0.571 338 E N 0.680 120.887 120.200 0.013 0.000 2.415 338 E HA 0.098 4.448 4.350 0.001 0.000 0.260 338 E C 0.980 177.584 176.600 0.007 0.000 1.016 338 E CA 0.004 56.410 56.400 0.010 0.000 0.924 338 E CB 1.268 30.973 29.700 0.009 0.000 0.961 338 E HN 0.633 nan 8.360 nan 0.000 0.459 339 E N 3.261 123.465 120.200 0.006 0.000 2.110 339 E HA -0.211 4.140 4.350 0.001 0.000 0.193 339 E C 1.759 178.361 176.600 0.004 0.000 0.988 339 E CA 1.577 57.980 56.400 0.005 0.000 0.804 339 E CB -0.075 29.628 29.700 0.004 0.000 0.745 339 E HN 0.622 nan 8.360 nan 0.000 0.458 340 A N 0.343 123.165 122.820 0.003 0.000 1.972 340 A HA -0.055 4.266 4.320 0.001 0.000 0.219 340 A C 2.335 179.920 177.584 0.002 0.000 1.169 340 A CA 1.846 53.885 52.037 0.002 0.000 0.635 340 A CB -0.721 18.281 19.000 0.003 0.000 0.810 340 A HN 0.339 nan 8.150 nan 0.000 0.446 341 A N -0.156 122.666 122.820 0.003 0.000 1.929 341 A HA 0.036 4.357 4.320 0.001 0.000 0.216 341 A C 2.069 179.654 177.584 0.001 0.000 1.176 341 A CA 1.238 53.276 52.037 0.002 0.000 0.628 341 A CB -0.509 18.493 19.000 0.003 0.000 0.816 341 A HN 0.476 nan 8.150 nan 0.000 0.444 342 I N -0.459 120.112 120.570 0.002 0.000 2.179 342 I HA -0.330 3.841 4.170 0.001 0.000 0.242 342 I C 2.772 178.889 176.117 -0.000 0.000 1.088 342 I CA 1.614 62.915 61.300 0.001 0.000 1.357 342 I CB -0.438 37.565 38.000 0.004 0.000 1.051 342 I HN 0.421 nan 8.210 nan 0.000 0.409 343 Q N 0.425 120.226 119.800 0.001 0.000 2.124 343 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 343 Q C 2.373 178.372 176.000 -0.002 0.000 0.977 343 Q CA 1.541 57.344 55.803 -0.000 0.000 0.850 343 Q CB -0.414 28.324 28.738 0.001 0.000 0.901 343 Q HN 0.646 nan 8.270 nan 0.000 0.429 344 G N 0.868 109.667 108.800 -0.002 0.000 2.422 344 G HA2 -0.261 3.700 3.960 0.001 0.000 0.218 344 G HA3 -0.261 3.700 3.960 0.001 0.000 0.218 344 G C 1.520 176.417 174.900 -0.005 0.000 1.146 344 G CA 0.269 45.368 45.100 -0.003 0.000 0.769 344 G HN 0.063 nan 8.290 nan 0.000 0.547 345 R N 0.373 120.869 120.500 -0.006 0.000 2.073 345 R HA -0.034 4.307 4.340 0.001 0.000 0.234 345 R C 2.750 179.044 176.300 -0.010 0.000 1.134 345 R CA 1.195 57.289 56.100 -0.009 0.000 0.952 345 R CB -0.999 29.296 30.300 -0.009 0.000 0.850 345 R HN 0.300 nan 8.270 nan 0.000 0.433 346 V N 1.087 120.996 119.914 -0.007 0.000 2.287 346 V HA -0.257 3.864 4.120 0.001 0.000 0.248 346 V C 2.572 178.662 176.094 -0.007 0.000 1.053 346 V CA 1.982 64.278 62.300 -0.007 0.000 1.027 346 V CB -0.951 30.870 31.823 -0.004 0.000 0.646 346 V HN 0.417 nan 8.190 nan 0.000 0.447 347 A N -0.836 121.981 122.820 -0.005 0.000 1.902 347 A HA -0.322 3.999 4.320 0.001 0.000 0.217 347 A C 2.269 179.849 177.584 -0.007 0.000 1.181 347 A CA 2.180 54.214 52.037 -0.005 0.000 0.623 347 A CB -0.600 18.398 19.000 -0.004 0.000 0.818 347 A HN 0.618 nan 8.150 nan 0.000 0.443 348 Q N -0.350 119.445 119.800 -0.009 0.000 2.096 348 Q HA -0.173 4.168 4.340 0.001 0.000 0.204 348 Q C 1.952 177.943 176.000 -0.014 0.000 0.982 348 Q CA 1.899 57.696 55.803 -0.011 0.000 0.850 348 Q CB -0.260 28.471 28.738 -0.012 0.000 0.901 348 Q HN 0.728 nan 8.270 nan 0.000 0.422 349 I N -0.047 120.513 120.570 -0.016 0.000 2.252 349 I HA -0.246 3.925 4.170 0.001 0.000 0.245 349 I C 2.698 178.805 176.117 -0.016 0.000 1.102 349 I CA 0.964 62.252 61.300 -0.020 0.000 1.385 349 I CB -0.319 37.667 38.000 -0.023 0.000 1.064 349 I HN 0.188 nan 8.210 nan 0.000 0.414 350 R N 0.581 121.075 120.500 -0.011 0.000 2.120 350 R HA -0.216 4.125 4.340 0.001 0.000 0.234 350 R C 2.417 178.713 176.300 -0.007 0.000 1.123 350 R CA 1.302 57.398 56.100 -0.007 0.000 0.975 350 R CB -0.157 30.140 30.300 -0.004 0.000 0.866 350 R HN 0.363 nan 8.270 nan 0.000 0.446 351 Q N 0.859 120.655 119.800 -0.008 0.000 2.020 351 Q HA -0.221 4.120 4.340 0.001 0.000 0.202 351 Q C 1.764 177.759 176.000 -0.009 0.000 0.982 351 Q CA 1.841 57.640 55.803 -0.007 0.000 0.838 351 Q CB -0.066 28.668 28.738 -0.007 0.000 0.899 351 Q HN 0.493 nan 8.270 nan 0.000 0.423 352 Q N -0.071 119.721 119.800 -0.013 0.000 2.291 352 Q HA -0.066 4.274 4.340 0.001 0.000 0.206 352 Q C 2.000 177.991 176.000 -0.015 0.000 0.976 352 Q CA 0.915 56.709 55.803 -0.016 0.000 0.875 352 Q CB -0.074 28.651 28.738 -0.023 0.000 0.927 352 Q HN 0.435 nan 8.270 nan 0.000 0.450 353 I N 0.990 121.552 120.570 -0.013 0.000 3.083 353 I HA -0.170 4.000 4.170 0.001 0.000 0.273 353 I C 1.590 177.704 176.117 -0.004 0.000 1.297 353 I CA 0.494 61.788 61.300 -0.010 0.000 1.452 353 I CB -0.113 37.882 38.000 -0.008 0.000 1.078 353 I HN 0.144 nan 8.210 nan 0.000 0.484 354 E N 1.545 121.743 120.200 -0.003 0.000 2.347 354 E HA -0.171 4.180 4.350 0.001 0.000 0.196 354 E C 1.092 177.692 176.600 0.000 0.000 1.008 354 E CA 0.900 57.300 56.400 -0.000 0.000 0.852 354 E CB 0.016 29.716 29.700 -0.000 0.000 0.783 354 E HN 0.733 nan 8.360 nan 0.000 0.505 355 E N -0.844 119.354 120.200 -0.003 0.000 2.862 355 E HA 0.337 4.688 4.350 0.001 0.000 0.204 355 E C -0.226 176.371 176.600 -0.005 0.000 0.966 355 E CA -0.215 56.184 56.400 -0.002 0.000 1.257 355 E CB 0.431 30.130 29.700 -0.003 0.000 1.053 355 E HN -0.024 nan 8.360 nan 0.000 0.487 356 A N 1.629 124.444 122.820 -0.008 0.000 2.396 356 A HA 0.258 4.578 4.320 0.001 0.000 0.279 356 A C 1.304 178.888 177.584 -0.001 0.000 1.165 356 A CA 0.129 52.158 52.037 -0.013 0.000 0.824 356 A CB 0.232 19.218 19.000 -0.022 0.000 1.100 356 A HN 0.330 nan 8.150 nan 0.000 0.516 357 T N -0.203 114.354 114.554 0.004 0.000 3.072 357 T HA 0.208 4.559 4.350 0.001 0.000 0.266 357 T C 0.700 175.417 174.700 0.028 0.000 1.127 357 T CA 0.784 62.895 62.100 0.017 0.000 1.107 357 T CB -0.690 68.191 68.868 0.023 0.000 0.910 357 T HN 1.582 nan 8.240 nan 0.000 0.513 358 S N -0.859 114.860 115.700 0.033 0.000 2.636 358 S HA 0.325 4.796 4.470 0.001 0.000 0.266 358 S C -0.643 173.987 174.600 0.050 0.000 1.147 358 S CA -0.728 57.503 58.200 0.050 0.000 0.815 358 S CB 0.910 64.162 63.200 0.087 0.000 1.119 358 S HN -0.087 nan 8.310 nan 0.000 0.470 359 D N 0.188 120.624 120.400 0.060 0.000 2.178 359 D HA -0.050 4.590 4.640 0.001 0.000 0.201 359 D C 1.391 177.748 176.300 0.095 0.000 0.980 359 D CA 1.567 55.600 54.000 0.054 0.000 0.842 359 D CB -0.370 40.453 40.800 0.039 0.000 0.948 359 D HN 0.612 nan 8.370 nan 0.000 0.472 360 Y N 2.003 122.309 120.300 0.011 0.000 2.352 360 Y HA -0.149 4.402 4.550 0.002 0.000 0.292 360 Y C 1.540 177.456 175.900 0.027 0.000 1.136 360 Y CA 1.235 59.350 58.100 0.026 0.000 1.227 360 Y CB 0.025 38.502 38.460 0.028 0.000 0.991 360 Y HN -0.116 nan 8.280 nan 0.000 0.545 361 D N -0.268 120.051 120.400 -0.135 0.000 2.137 361 D HA -0.102 4.539 4.640 0.001 0.000 0.202 361 D C 2.147 178.366 176.300 -0.135 0.000 0.970 361 D CA 0.975 54.859 54.000 -0.194 0.000 0.837 361 D CB -0.169 40.585 40.800 -0.076 0.000 0.981 361 D HN 0.393 nan 8.370 nan 0.000 0.475 362 R N 1.119 121.580 120.500 -0.064 0.000 2.091 362 R HA -0.115 4.225 4.340 0.001 0.000 0.238 362 R C 2.234 178.504 176.300 -0.050 0.000 1.136 362 R CA 0.938 57.013 56.100 -0.042 0.000 0.959 362 R CB -0.132 30.160 30.300 -0.014 0.000 0.856 362 R HN 0.318 nan 8.270 nan 0.000 0.437 363 E N 1.131 121.300 120.200 -0.051 0.000 2.026 363 E HA -0.265 4.086 4.350 0.001 0.000 0.206 363 E C 1.676 178.223 176.600 -0.089 0.000 1.028 363 E CA 2.020 58.392 56.400 -0.047 0.000 0.845 363 E CB -0.155 29.535 29.700 -0.017 0.000 0.772 363 E HN 0.431 nan 8.360 nan 0.000 0.462 364 K N 0.532 120.835 120.400 -0.161 0.000 2.574 364 K HA -0.051 4.270 4.320 0.001 0.000 0.193 364 K C 1.527 178.054 176.600 -0.123 0.000 1.035 364 K CA 0.524 56.710 56.287 -0.169 0.000 0.982 364 K CB 0.242 32.596 32.500 -0.245 0.000 0.795 364 K HN 0.045 nan 8.250 nan 0.000 0.491 365 L N 1.755 122.921 121.223 -0.094 0.000 2.276 365 L HA -0.051 4.290 4.340 0.001 0.000 0.194 365 L C 2.876 179.717 176.870 -0.048 0.000 1.099 365 L CA 1.584 56.386 54.840 -0.064 0.000 0.800 365 L CB -1.680 40.348 42.059 -0.051 0.000 0.994 365 L HN 0.397 nan 8.230 nan 0.000 0.475 366 Q N 0.318 120.096 119.800 -0.037 0.000 2.124 366 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 366 Q C 1.559 177.550 176.000 -0.016 0.000 0.977 366 Q CA 1.700 57.492 55.803 -0.019 0.000 0.850 366 Q CB -0.452 28.282 28.738 -0.007 0.000 0.901 366 Q HN 0.492 nan 8.270 nan 0.000 0.429 367 E N 0.667 120.853 120.200 -0.024 0.000 2.233 367 E HA -0.203 4.148 4.350 0.001 0.000 0.199 367 E C 1.928 178.516 176.600 -0.019 0.000 1.004 367 E CA 1.474 57.862 56.400 -0.019 0.000 0.819 367 E CB 0.024 29.701 29.700 -0.038 0.000 0.738 367 E HN 0.451 nan 8.360 nan 0.000 0.478 368 R N -0.219 120.263 120.500 -0.030 0.000 2.265 368 R HA -0.002 4.339 4.340 0.001 0.000 0.194 368 R C 2.487 178.777 176.300 -0.016 0.000 0.931 368 R CA 0.551 56.634 56.100 -0.029 0.000 1.032 368 R CB 0.127 30.399 30.300 -0.048 0.000 0.980 368 R HN 0.116 nan 8.270 nan 0.000 0.497 369 V N -1.468 118.439 119.914 -0.013 0.000 2.307 369 V HA -0.027 4.094 4.120 0.001 0.000 0.245 369 V C 2.181 178.275 176.094 -0.001 0.000 1.045 369 V CA 1.809 64.105 62.300 -0.007 0.000 1.024 369 V CB -0.803 31.016 31.823 -0.006 0.000 0.651 369 V HN 0.182 nan 8.190 nan 0.000 0.449 370 A N 0.385 123.206 122.820 0.003 0.000 2.015 370 A HA -0.097 4.223 4.320 0.001 0.000 0.219 370 A C 2.222 179.812 177.584 0.010 0.000 1.163 370 A CA 1.735 53.776 52.037 0.007 0.000 0.646 370 A CB -0.605 18.401 19.000 0.009 0.000 0.806 370 A HN 0.657 nan 8.150 nan 0.000 0.448 371 K N -0.670 119.738 120.400 0.012 0.000 2.442 371 K HA 0.096 4.416 4.320 0.001 0.000 0.198 371 K C 1.113 177.723 176.600 0.018 0.000 1.042 371 K CA 0.803 57.103 56.287 0.021 0.000 0.958 371 K CB -0.108 32.410 32.500 0.029 0.000 0.766 371 K HN 0.497 nan 8.250 nan 0.000 0.474 372 L N -1.344 119.884 121.223 0.010 0.000 2.653 372 L HA 0.203 4.544 4.340 0.001 0.000 0.230 372 L C 1.648 178.522 176.870 0.005 0.000 1.055 372 L CA -0.007 54.838 54.840 0.007 0.000 0.880 372 L CB 0.030 42.090 42.059 0.002 0.000 1.195 372 L HN 0.037 nan 8.230 nan 0.000 0.492 373 A N 0.470 123.293 122.820 0.004 0.000 3.819 373 A HA 0.369 4.690 4.320 0.001 0.000 0.178 373 A C 1.748 179.334 177.584 0.004 0.000 1.817 373 A CA 0.713 52.752 52.037 0.003 0.000 1.119 373 A CB -1.303 17.698 19.000 0.002 0.000 1.166 373 A HN 0.189 nan 8.150 nan 0.000 0.392 374 G N -1.592 107.210 108.800 0.004 0.000 2.920 374 G HA2 0.480 4.441 3.960 0.001 0.000 0.208 374 G HA3 0.480 4.441 3.960 0.001 0.000 0.208 374 G C 0.836 175.738 174.900 0.003 0.000 1.159 374 G CA 0.919 46.021 45.100 0.003 0.000 0.784 374 G HN 2.026 nan 8.290 nan 0.000 0.535 375 G N -1.795 107.008 108.800 0.005 0.000 2.612 375 G HA2 0.122 4.083 3.960 0.001 0.000 0.686 375 G HA3 0.122 4.083 3.960 0.001 0.000 0.686 375 G C -1.023 173.881 174.900 0.005 0.000 1.274 375 G CA -0.487 44.616 45.100 0.005 0.000 0.849 375 G HN 0.762 nan 8.290 nan 0.000 0.595 376 V N 0.373 120.290 119.914 0.005 0.000 2.604 376 V HA 0.900 5.021 4.120 0.001 0.000 0.305 376 V C 0.731 176.826 176.094 0.001 0.000 1.043 376 V CA 0.123 62.427 62.300 0.006 0.000 0.888 376 V CB 1.335 33.165 31.823 0.011 0.000 0.995 376 V HN 2.224 nan 8.190 nan 0.000 0.429 377 A N 3.725 126.545 122.820 0.001 0.000 2.469 377 A HA 0.965 5.286 4.320 0.001 0.000 0.299 377 A C -1.284 176.299 177.584 -0.003 0.000 1.098 377 A CA -0.645 51.390 52.037 -0.003 0.000 0.737 377 A CB 2.209 21.205 19.000 -0.006 0.000 1.312 377 A HN 0.776 nan 8.150 nan 0.000 0.414 378 V N 2.135 122.046 119.914 -0.005 0.000 2.524 378 V HA 0.327 4.447 4.120 0.001 0.000 0.297 378 V C -0.556 175.534 176.094 -0.008 0.000 1.035 378 V CA -0.130 62.168 62.300 -0.004 0.000 0.867 378 V CB 1.308 33.129 31.823 -0.003 0.000 1.004 378 V HN 0.740 nan 8.190 nan 0.000 0.426 379 I N 4.555 125.119 120.570 -0.010 0.000 2.379 379 I HA 0.269 4.439 4.170 0.001 0.000 0.290 379 I C 0.462 176.573 176.117 -0.009 0.000 1.063 379 I CA 0.005 61.297 61.300 -0.012 0.000 1.351 379 I CB 0.611 38.600 38.000 -0.018 0.000 1.410 379 I HN 0.510 nan 8.210 nan 0.000 0.505 380 K N 6.200 126.595 120.400 -0.009 0.000 2.299 380 K HA 0.384 4.705 4.320 0.001 0.000 0.268 380 K C -0.713 175.883 176.600 -0.007 0.000 1.075 380 K CA -0.581 55.702 56.287 -0.007 0.000 0.936 380 K CB 1.442 33.938 32.500 -0.007 0.000 1.228 380 K HN 0.344 nan 8.250 nan 0.000 0.454 381 V N 2.347 122.258 119.914 -0.005 0.000 2.655 381 V HA 0.128 4.249 4.120 0.001 0.000 0.300 381 V C 0.949 177.041 176.094 -0.005 0.000 1.044 381 V CA -0.264 62.033 62.300 -0.006 0.000 1.095 381 V CB 1.118 32.939 31.823 -0.004 0.000 0.952 381 V HN 0.868 nan 8.190 nan 0.000 0.485 382 G N 2.719 111.515 108.800 -0.006 0.000 2.371 382 G HA2 0.752 4.712 3.960 0.001 0.000 0.326 382 G HA3 0.752 4.712 3.960 0.001 0.000 0.326 382 G C -0.639 174.259 174.900 -0.004 0.000 1.127 382 G CA 0.011 45.108 45.100 -0.005 0.000 0.885 382 G HN 1.249 nan 8.290 nan 0.000 0.477 383 A N 0.337 123.155 122.820 -0.003 0.000 2.589 383 A HA 0.754 5.075 4.320 0.001 0.000 0.296 383 A C 0.656 178.239 177.584 -0.001 0.000 1.062 383 A CA 0.273 52.308 52.037 -0.002 0.000 0.686 383 A CB 1.056 20.055 19.000 -0.000 0.000 1.282 383 A HN 1.731 nan 8.150 nan 0.000 0.404 384 A N 0.651 123.470 122.820 -0.001 0.000 1.929 384 A HA 0.394 4.715 4.320 0.001 0.000 0.216 384 A C 1.351 178.935 177.584 -0.000 0.000 1.176 384 A CA 2.341 54.377 52.037 -0.001 0.000 0.628 384 A CB -0.485 18.514 19.000 -0.002 0.000 0.816 384 A HN 2.006 nan 8.150 nan 0.000 0.444 385 T N -4.880 109.674 114.554 0.001 0.000 2.864 385 T HA 0.506 4.857 4.350 0.001 0.000 0.289 385 T C 0.437 175.139 174.700 0.003 0.000 1.082 385 T CA 0.057 62.158 62.100 0.002 0.000 1.009 385 T CB 1.821 70.690 68.868 0.002 0.000 1.234 385 T HN 0.180 nan 8.240 nan 0.000 0.526 386 E N -0.252 119.951 120.200 0.005 0.000 2.122 386 E HA -0.068 4.283 4.350 0.001 0.000 0.190 386 E C 2.163 178.768 176.600 0.008 0.000 0.977 386 E CA 1.143 57.547 56.400 0.007 0.000 0.820 386 E CB -0.101 29.604 29.700 0.008 0.000 0.770 386 E HN 0.580 nan 8.360 nan 0.000 0.462 387 V N -0.460 119.459 119.914 0.008 0.000 2.469 387 V HA -0.236 3.885 4.120 0.001 0.000 0.251 387 V C 2.126 178.224 176.094 0.006 0.000 1.064 387 V CA 2.274 64.579 62.300 0.008 0.000 1.066 387 V CB -0.656 31.171 31.823 0.006 0.000 0.667 387 V HN 0.250 nan 8.190 nan 0.000 0.461 388 E N -0.123 120.080 120.200 0.004 0.000 2.072 388 E HA -0.228 4.123 4.350 0.001 0.000 0.190 388 E C 2.131 178.733 176.600 0.004 0.000 0.982 388 E CA 1.422 57.824 56.400 0.003 0.000 0.803 388 E CB -0.191 29.509 29.700 0.001 0.000 0.755 388 E HN 0.561 nan 8.360 nan 0.000 0.453 389 M N 1.554 121.157 119.600 0.004 0.000 2.106 389 M HA -0.209 4.272 4.480 0.001 0.000 0.259 389 M C 1.669 177.974 176.300 0.008 0.000 1.068 389 M CA 1.810 57.113 55.300 0.005 0.000 1.100 389 M CB -0.066 32.537 32.600 0.006 0.000 1.351 389 M HN -0.065 nan 8.290 nan 0.000 0.404 390 K N -0.355 120.051 120.400 0.010 0.000 2.057 390 K HA -0.212 4.109 4.320 0.001 0.000 0.207 390 K C 1.852 178.459 176.600 0.012 0.000 1.049 390 K CA 1.839 58.134 56.287 0.013 0.000 0.931 390 K CB -0.322 32.187 32.500 0.015 0.000 0.714 390 K HN 0.634 nan 8.250 nan 0.000 0.440 391 E N 1.446 121.651 120.200 0.009 0.000 2.076 391 E HA -0.172 4.179 4.350 0.001 0.000 0.190 391 E C 1.873 178.475 176.600 0.004 0.000 0.979 391 E CA 1.205 57.609 56.400 0.007 0.000 0.807 391 E CB -0.099 29.604 29.700 0.005 0.000 0.761 391 E HN -0.020 nan 8.360 nan 0.000 0.454 392 K N 1.224 121.625 120.400 0.002 0.000 2.009 392 K HA -0.139 4.182 4.320 0.001 0.000 0.210 392 K C 2.184 178.781 176.600 -0.004 0.000 1.049 392 K CA 2.116 58.402 56.287 -0.002 0.000 0.929 392 K CB -0.261 32.237 32.500 -0.003 0.000 0.714 392 K HN 0.167 nan 8.250 nan 0.000 0.440 393 K N -0.565 119.835 120.400 0.000 0.000 2.097 393 K HA -0.081 4.240 4.320 0.001 0.000 0.206 393 K C 1.892 178.494 176.600 0.003 0.000 1.049 393 K CA 1.148 57.435 56.287 0.001 0.000 0.933 393 K CB -0.215 32.290 32.500 0.008 0.000 0.717 393 K HN 0.243 nan 8.250 nan 0.000 0.442 394 A N 1.561 124.388 122.820 0.011 0.000 1.858 394 A HA -0.164 4.157 4.320 0.001 0.000 0.216 394 A C 2.044 179.631 177.584 0.006 0.000 1.190 394 A CA 1.433 53.481 52.037 0.019 0.000 0.617 394 A CB -0.492 18.522 19.000 0.024 0.000 0.827 394 A HN 0.305 nan 8.150 nan 0.000 0.443 395 R N -0.684 119.815 120.500 -0.001 0.000 2.152 395 R HA -0.077 4.263 4.340 0.001 0.000 0.232 395 R C 1.954 178.238 176.300 -0.027 0.000 1.117 395 R CA 1.349 57.443 56.100 -0.010 0.000 0.981 395 R CB -0.476 29.819 30.300 -0.008 0.000 0.870 395 R HN 0.430 nan 8.270 nan 0.000 0.451 396 V N 0.856 120.750 119.914 -0.033 0.000 2.379 396 V HA -0.173 3.948 4.120 0.001 0.000 0.245 396 V C 2.157 178.189 176.094 -0.102 0.000 1.044 396 V CA 1.570 63.838 62.300 -0.053 0.000 1.036 396 V CB -0.317 31.482 31.823 -0.040 0.000 0.664 396 V HN 0.301 nan 8.190 nan 0.000 0.453 397 E N 0.046 120.183 120.200 -0.105 0.000 2.015 397 E HA -0.212 4.139 4.350 0.001 0.000 0.191 397 E C 1.922 178.297 176.600 -0.374 0.000 0.991 397 E CA 1.514 57.780 56.400 -0.225 0.000 0.802 397 E CB -0.168 29.514 29.700 -0.030 0.000 0.759 397 E HN 0.587 nan 8.360 nan 0.000 0.447 398 D N -0.011 120.336 120.400 -0.088 0.000 2.312 398 D HA -0.050 4.591 4.640 0.001 0.000 0.211 398 D C 1.663 177.953 176.300 -0.017 0.000 0.964 398 D CA 0.537 54.560 54.000 0.037 0.000 0.877 398 D CB 0.164 41.027 40.800 0.104 0.000 0.924 398 D HN 0.098 nan 8.370 nan 0.000 0.515 399 A N 1.032 123.815 122.820 -0.061 0.000 1.969 399 A HA -0.097 4.224 4.320 0.001 0.000 0.218 399 A C 2.094 179.630 177.584 -0.080 0.000 1.169 399 A CA 0.512 52.518 52.037 -0.051 0.000 0.635 399 A CB -0.319 18.654 19.000 -0.045 0.000 0.810 399 A HN 0.149 nan 8.150 nan 0.000 0.445 400 L N -0.467 120.649 121.223 -0.177 0.000 2.072 400 L HA -0.102 4.239 4.340 0.001 0.000 0.205 400 L C 2.329 179.121 176.870 -0.130 0.000 1.079 400 L CA 1.943 56.668 54.840 -0.192 0.000 0.752 400 L CB -1.351 40.533 42.059 -0.291 0.000 0.906 400 L HN 0.497 nan 8.230 nan 0.000 0.436 401 H N -0.435 118.643 119.070 0.013 0.000 2.357 401 H HA 0.011 4.567 4.556 0.001 0.000 0.301 401 H C 2.134 177.472 175.328 0.017 0.000 1.082 401 H CA 1.247 57.305 56.048 0.016 0.000 1.342 401 H CB -0.382 29.391 29.762 0.019 0.000 1.389 401 H HN 0.342 nan 8.280 nan 0.000 0.511 402 A N 0.927 123.808 122.820 0.101 0.000 1.930 402 A HA -0.155 4.166 4.320 0.001 0.000 0.217 402 A C 2.643 180.249 177.584 0.037 0.000 1.175 402 A CA 2.199 54.273 52.037 0.061 0.000 0.627 402 A CB -0.887 18.138 19.000 0.040 0.000 0.815 402 A HN 0.585 nan 8.150 nan 0.000 0.443 403 T N -2.224 112.342 114.554 0.019 0.000 2.777 403 T HA -0.135 4.215 4.350 0.001 0.000 0.266 403 T C 2.010 176.724 174.700 0.022 0.000 1.040 403 T CA 1.041 63.148 62.100 0.012 0.000 1.141 403 T CB -0.343 68.523 68.868 -0.004 0.000 0.868 403 T HN 0.319 nan 8.240 nan 0.000 0.444 404 R N 1.620 122.142 120.500 0.037 0.000 2.091 404 R HA 0.085 4.426 4.340 0.001 0.000 0.238 404 R C 2.910 179.236 176.300 0.045 0.000 1.136 404 R CA 1.568 57.696 56.100 0.047 0.000 0.959 404 R CB -1.247 29.098 30.300 0.074 0.000 0.856 404 R HN 0.586 nan 8.270 nan 0.000 0.437 405 A N 0.782 123.634 122.820 0.053 0.000 1.972 405 A HA -0.086 4.235 4.320 0.001 0.000 0.219 405 A C 2.327 179.929 177.584 0.029 0.000 1.169 405 A CA 1.778 53.842 52.037 0.044 0.000 0.635 405 A CB -0.407 18.625 19.000 0.054 0.000 0.810 405 A HN 0.381 nan 8.150 nan 0.000 0.446 406 A N -0.736 122.099 122.820 0.025 0.000 1.897 406 A HA 0.084 4.405 4.320 0.001 0.000 0.215 406 A C 2.177 179.770 177.584 0.014 0.000 1.181 406 A CA 1.518 53.565 52.037 0.017 0.000 0.620 406 A CB -0.753 18.255 19.000 0.014 0.000 0.821 406 A HN 0.347 nan 8.150 nan 0.000 0.443 407 V N 1.260 121.184 119.914 0.016 0.000 2.427 407 V HA -0.242 3.878 4.120 0.001 0.000 0.248 407 V C 2.443 178.545 176.094 0.014 0.000 1.051 407 V CA 2.194 64.502 62.300 0.014 0.000 1.048 407 V CB -0.808 31.024 31.823 0.014 0.000 0.666 407 V HN 0.913 nan 8.190 nan 0.000 0.456 408 E N -0.197 120.013 120.200 0.017 0.000 2.478 408 E HA -0.094 4.257 4.350 0.001 0.000 0.194 408 E C 1.649 178.256 176.600 0.012 0.000 1.045 408 E CA 0.984 57.394 56.400 0.016 0.000 0.868 408 E CB 0.201 29.913 29.700 0.020 0.000 0.885 408 E HN 0.698 nan 8.360 nan 0.000 0.505 409 E N -0.307 119.899 120.200 0.010 0.000 2.673 409 E HA 0.196 4.547 4.350 0.001 0.000 0.215 409 E C 0.322 176.925 176.600 0.005 0.000 0.935 409 E CA 0.363 56.766 56.400 0.006 0.000 1.341 409 E CB 1.111 30.813 29.700 0.003 0.000 1.277 409 E HN 0.304 nan 8.360 nan 0.000 0.667 410 G N 0.427 109.231 108.800 0.007 0.000 2.500 410 G HA2 -0.128 3.832 3.960 0.001 0.000 0.209 410 G HA3 -0.128 3.832 3.960 0.001 0.000 0.209 410 G C -0.638 174.266 174.900 0.007 0.000 1.283 410 G CA -0.465 44.639 45.100 0.007 0.000 0.960 410 G HN 0.751 nan 8.290 nan 0.000 0.528 411 V N -2.799 117.120 119.914 0.007 0.000 3.078 411 V HA 0.990 5.111 4.120 0.001 0.000 0.311 411 V C 0.391 176.490 176.094 0.008 0.000 1.138 411 V CA 0.051 62.355 62.300 0.008 0.000 1.007 411 V CB 1.245 33.072 31.823 0.007 0.000 1.045 411 V HN 2.498 nan 8.190 nan 0.000 0.432 412 V N -0.914 119.006 119.914 0.010 0.000 3.130 412 V HA 1.015 5.135 4.120 0.001 0.000 0.310 412 V C 0.425 176.528 176.094 0.016 0.000 1.158 412 V CA -0.674 61.633 62.300 0.013 0.000 1.029 412 V CB 1.376 33.207 31.823 0.013 0.000 1.057 412 V HN 2.199 nan 8.190 nan 0.000 0.436 413 A N 1.264 124.097 122.820 0.022 0.000 2.548 413 A HA 0.612 4.933 4.320 0.001 0.000 0.247 413 A C 0.855 178.455 177.584 0.026 0.000 1.067 413 A CA 0.704 52.756 52.037 0.026 0.000 0.757 413 A CB -0.667 18.357 19.000 0.039 0.000 0.996 413 A HN 2.007 nan 8.150 nan 0.000 0.504 414 G N 0.658 109.469 108.800 0.018 0.000 2.563 414 G HA2 0.531 4.492 3.960 0.001 0.000 0.283 414 G HA3 0.531 4.492 3.960 0.001 0.000 0.283 414 G C 1.143 176.055 174.900 0.020 0.000 1.309 414 G CA -0.036 45.072 45.100 0.013 0.000 1.022 414 G HN 2.233 nan 8.290 nan 0.000 0.501 415 G N -2.109 106.700 108.800 0.017 0.000 2.187 415 G HA2 0.194 4.155 3.960 0.001 0.000 0.261 415 G HA3 0.194 4.155 3.960 0.001 0.000 0.261 415 G C 1.483 176.405 174.900 0.036 0.000 1.000 415 G CA 1.214 46.329 45.100 0.025 0.000 0.718 415 G HN 2.547 nan 8.290 nan 0.000 0.519 416 G N -2.571 106.249 108.800 0.032 0.000 2.179 416 G HA2 -0.160 3.801 3.960 0.001 0.000 0.260 416 G HA3 -0.160 3.801 3.960 0.001 0.000 0.260 416 G C 1.490 176.415 174.900 0.042 0.000 0.977 416 G CA 1.455 46.575 45.100 0.034 0.000 0.641 416 G HN 1.705 nan 8.290 nan 0.000 0.533 417 V N 0.729 120.674 119.914 0.051 0.000 2.427 417 V HA 0.137 4.258 4.120 0.001 0.000 0.248 417 V C 3.019 179.146 176.094 0.055 0.000 1.051 417 V CA 2.935 65.275 62.300 0.066 0.000 1.048 417 V CB -0.536 31.342 31.823 0.091 0.000 0.666 417 V HN 1.181 nan 8.190 nan 0.000 0.456 418 A N -0.369 122.476 122.820 0.043 0.000 1.933 418 A HA -0.198 4.123 4.320 0.001 0.000 0.218 418 A C 2.119 179.719 177.584 0.027 0.000 1.175 418 A CA 2.131 54.188 52.037 0.034 0.000 0.628 418 A CB -0.682 18.334 19.000 0.026 0.000 0.814 418 A HN 0.551 nan 8.150 nan 0.000 0.444 419 L N 0.091 121.329 121.223 0.025 0.000 2.017 419 L HA -0.134 4.207 4.340 0.001 0.000 0.208 419 L C 2.267 179.150 176.870 0.023 0.000 1.073 419 L CA 1.788 56.640 54.840 0.019 0.000 0.745 419 L CB -0.411 41.658 42.059 0.017 0.000 0.894 419 L HN 0.455 nan 8.230 nan 0.000 0.432 420 I N -0.757 119.832 120.570 0.031 0.000 2.208 420 I HA -0.306 3.865 4.170 0.001 0.000 0.245 420 I C 2.284 178.419 176.117 0.030 0.000 1.097 420 I CA 0.842 62.162 61.300 0.033 0.000 1.363 420 I CB -0.474 37.553 38.000 0.045 0.000 1.051 420 I HN 0.256 nan 8.210 nan 0.000 0.413 421 R N 0.642 121.161 120.500 0.033 0.000 2.193 421 R HA -0.072 4.269 4.340 0.001 0.000 0.229 421 R C 1.971 178.282 176.300 0.018 0.000 1.110 421 R CA 1.216 57.332 56.100 0.027 0.000 0.988 421 R CB -1.135 29.184 30.300 0.032 0.000 0.871 421 R HN 0.491 nan 8.270 nan 0.000 0.458 422 V N -2.843 117.081 119.914 0.016 0.000 3.649 422 V HA 0.321 4.442 4.120 0.001 0.000 0.275 422 V C 1.862 177.961 176.094 0.009 0.000 1.281 422 V CA 0.721 63.027 62.300 0.010 0.000 1.143 422 V CB -0.065 31.762 31.823 0.007 0.000 0.892 422 V HN 0.068 nan 8.190 nan 0.000 0.441 423 A N 2.253 125.079 122.820 0.011 0.000 1.840 423 A HA -0.075 4.246 4.320 0.001 0.000 0.214 423 A C 2.512 180.101 177.584 0.008 0.000 1.198 423 A CA 2.086 54.129 52.037 0.010 0.000 0.608 423 A CB -0.999 18.009 19.000 0.013 0.000 0.839 423 A HN 0.845 nan 8.150 nan 0.000 0.443 424 S N 0.076 115.781 115.700 0.008 0.000 2.423 424 S HA -0.115 4.356 4.470 0.001 0.000 0.231 424 S C 1.682 176.284 174.600 0.004 0.000 1.014 424 S CA 1.281 59.484 58.200 0.005 0.000 0.965 424 S CB -0.361 62.841 63.200 0.004 0.000 0.785 424 S HN 0.551 nan 8.310 nan 0.000 0.495 425 K N 0.909 121.311 120.400 0.005 0.000 2.286 425 K HA 0.043 4.363 4.320 0.001 0.000 0.203 425 K C 1.017 177.619 176.600 0.003 0.000 1.045 425 K CA 1.064 57.353 56.287 0.003 0.000 0.935 425 K CB -0.361 32.142 32.500 0.004 0.000 0.737 425 K HN 0.451 nan 8.250 nan 0.000 0.460 426 L N -0.624 120.601 121.223 0.003 0.000 2.818 426 L HA 0.217 4.558 4.340 0.001 0.000 0.243 426 L C 1.703 178.575 176.870 0.002 0.000 1.185 426 L CA -0.358 54.483 54.840 0.002 0.000 0.988 426 L CB 0.259 42.320 42.059 0.003 0.000 1.292 426 L HN 0.046 nan 8.230 nan 0.000 0.519 427 A N 0.780 123.601 122.820 0.002 0.000 1.908 427 A HA -0.241 4.080 4.320 0.001 0.000 0.218 427 A C 1.699 179.284 177.584 0.001 0.000 1.181 427 A CA 2.285 54.323 52.037 0.002 0.000 0.627 427 A CB -0.384 18.616 19.000 0.001 0.000 0.818 427 A HN 0.434 nan 8.150 nan 0.000 0.445 428 D N -1.137 119.264 120.400 0.001 0.000 2.269 428 D HA 0.069 4.709 4.640 0.001 0.000 0.208 428 D C 0.552 176.853 176.300 0.001 0.000 0.963 428 D CA 0.126 54.127 54.000 0.001 0.000 0.864 428 D CB -0.132 40.668 40.800 0.000 0.000 0.936 428 D HN 0.355 nan 8.370 nan 0.000 0.505 429 L N 1.285 122.509 121.223 0.002 0.000 2.453 429 L HA 0.181 4.522 4.340 0.001 0.000 0.272 429 L C 0.047 176.918 176.870 0.002 0.000 1.182 429 L CA 0.480 55.321 54.840 0.002 0.000 0.858 429 L CB 0.264 42.324 42.059 0.002 0.000 1.120 429 L HN -0.147 nan 8.230 nan 0.000 0.474 430 R N 2.701 123.202 120.500 0.002 0.000 2.855 430 R HA 0.756 5.097 4.340 0.001 0.000 0.266 430 R C -0.350 175.952 176.300 0.003 0.000 1.034 430 R CA -0.401 55.701 56.100 0.003 0.000 0.944 430 R CB 1.381 31.683 30.300 0.002 0.000 1.219 430 R HN 0.805 nan 8.270 nan 0.000 0.474 431 G N -0.509 108.293 108.800 0.004 0.000 3.175 431 G HA2 0.267 4.228 3.960 0.001 0.000 0.255 431 G HA3 0.267 4.228 3.960 0.001 0.000 0.255 431 G C 0.070 174.972 174.900 0.004 0.000 1.352 431 G CA -0.281 44.822 45.100 0.004 0.000 1.037 431 G HN 0.384 nan 8.290 nan 0.000 0.556 432 Q N -0.491 119.312 119.800 0.004 0.000 2.079 432 Q HA -0.014 4.327 4.340 0.001 0.000 0.200 432 Q C 0.500 176.502 176.000 0.004 0.000 0.974 432 Q CA 1.338 57.143 55.803 0.004 0.000 0.840 432 Q CB -0.051 28.690 28.738 0.004 0.000 0.898 432 Q HN 0.617 nan 8.270 nan 0.000 0.430 433 N N -1.269 117.434 118.700 0.005 0.000 2.577 433 N HA 0.063 4.804 4.740 0.001 0.000 0.285 433 N C -0.026 175.487 175.510 0.005 0.000 1.309 433 N CA -0.502 52.551 53.050 0.005 0.000 0.798 433 N CB 0.771 39.261 38.487 0.005 0.000 1.463 433 N HN -0.239 nan 8.380 nan 0.000 0.518 434 E N -0.288 119.915 120.200 0.005 0.000 2.204 434 E HA -0.101 4.250 4.350 0.001 0.000 0.194 434 E C 0.141 176.744 176.600 0.006 0.000 0.989 434 E CA 1.359 57.762 56.400 0.005 0.000 0.824 434 E CB -0.301 29.401 29.700 0.004 0.000 0.756 434 E HN 0.675 nan 8.360 nan 0.000 0.477 435 D N -0.060 120.344 120.400 0.006 0.000 2.104 435 D HA -0.204 4.437 4.640 0.001 0.000 0.194 435 D C 1.808 178.113 176.300 0.008 0.000 0.994 435 D CA 1.362 55.367 54.000 0.008 0.000 0.830 435 D CB -0.140 40.666 40.800 0.008 0.000 0.959 435 D HN 0.282 nan 8.370 nan 0.000 0.452 436 Q N -0.134 119.670 119.800 0.007 0.000 2.123 436 Q HA -0.058 4.283 4.340 0.001 0.000 0.199 436 Q C 1.716 177.720 176.000 0.006 0.000 0.966 436 Q CA 0.645 56.452 55.803 0.007 0.000 0.845 436 Q CB 0.048 28.789 28.738 0.006 0.000 0.907 436 Q HN 0.276 nan 8.270 nan 0.000 0.439 437 N N 0.173 118.877 118.700 0.006 0.000 2.084 437 N HA -0.135 4.606 4.740 0.001 0.000 0.190 437 N C 1.884 177.398 175.510 0.006 0.000 1.030 437 N CA 1.178 54.231 53.050 0.005 0.000 0.849 437 N CB -0.433 38.057 38.487 0.004 0.000 1.012 437 N HN 0.047 nan 8.380 nan 0.000 0.423 438 V N 1.079 120.997 119.914 0.006 0.000 2.407 438 V HA -0.152 3.969 4.120 0.001 0.000 0.248 438 V C 2.434 178.533 176.094 0.008 0.000 1.055 438 V CA 1.973 64.277 62.300 0.007 0.000 1.049 438 V CB -1.261 30.566 31.823 0.007 0.000 0.662 438 V HN 0.355 nan 8.190 nan 0.000 0.455 439 G N 0.121 108.927 108.800 0.008 0.000 2.480 439 G HA2 -0.254 3.706 3.960 0.001 0.000 0.216 439 G HA3 -0.254 3.706 3.960 0.001 0.000 0.216 439 G C 1.574 176.479 174.900 0.008 0.000 1.200 439 G CA 1.215 46.320 45.100 0.009 0.000 0.782 439 G HN 0.470 nan 8.290 nan 0.000 0.554 440 I N 0.391 120.965 120.570 0.007 0.000 2.145 440 I HA -0.211 3.960 4.170 0.001 0.000 0.244 440 I C 2.557 178.678 176.117 0.006 0.000 1.075 440 I CA 1.437 62.741 61.300 0.006 0.000 1.332 440 I CB -0.086 37.917 38.000 0.005 0.000 1.033 440 I HN 0.016 nan 8.210 nan 0.000 0.410 441 K N 0.257 120.661 120.400 0.006 0.000 2.504 441 K HA -0.018 4.302 4.320 0.001 0.000 0.195 441 K C 1.682 178.287 176.600 0.008 0.000 1.036 441 K CA 0.445 56.736 56.287 0.007 0.000 0.984 441 K CB -0.402 32.102 32.500 0.006 0.000 0.788 441 K HN 0.185 nan 8.250 nan 0.000 0.488 442 V N 0.421 120.341 119.914 0.009 0.000 2.270 442 V HA -0.254 3.867 4.120 0.001 0.000 0.245 442 V C 2.198 178.298 176.094 0.011 0.000 1.043 442 V CA 2.004 64.311 62.300 0.011 0.000 1.014 442 V CB -0.781 31.049 31.823 0.012 0.000 0.645 442 V HN 0.339 nan 8.190 nan 0.000 0.447 443 A N 0.188 123.014 122.820 0.010 0.000 1.883 443 A HA -0.188 4.133 4.320 0.001 0.000 0.217 443 A C 2.209 179.798 177.584 0.009 0.000 1.186 443 A CA 2.082 54.124 52.037 0.009 0.000 0.624 443 A CB -0.645 18.358 19.000 0.006 0.000 0.822 443 A HN 0.517 nan 8.150 nan 0.000 0.444 444 L N -1.328 119.900 121.223 0.008 0.000 2.012 444 L HA -0.212 4.128 4.340 0.001 0.000 0.210 444 L C 2.816 179.692 176.870 0.011 0.000 1.073 444 L CA 1.764 56.609 54.840 0.009 0.000 0.748 444 L CB -0.674 41.389 42.059 0.007 0.000 0.891 444 L HN 0.341 nan 8.230 nan 0.000 0.431 445 R N 0.204 120.710 120.500 0.011 0.000 2.127 445 R HA -0.121 4.220 4.340 0.001 0.000 0.238 445 R C 2.290 178.598 176.300 0.014 0.000 1.134 445 R CA 1.271 57.378 56.100 0.012 0.000 0.975 445 R CB -0.388 29.919 30.300 0.011 0.000 0.865 445 R HN 0.383 nan 8.270 nan 0.000 0.447 446 A N 0.327 123.156 122.820 0.014 0.000 2.167 446 A HA -0.016 4.304 4.320 0.001 0.000 0.214 446 A C 1.895 179.490 177.584 0.017 0.000 1.151 446 A CA 0.524 52.571 52.037 0.016 0.000 0.735 446 A CB -0.229 18.781 19.000 0.016 0.000 0.802 446 A HN 0.182 nan 8.150 nan 0.000 0.467 447 M N -0.418 119.191 119.600 0.016 0.000 2.446 447 M HA -0.123 4.358 4.480 0.001 0.000 0.263 447 M C 1.396 177.709 176.300 0.023 0.000 1.066 447 M CA 1.037 56.348 55.300 0.018 0.000 1.087 447 M CB -0.264 32.345 32.600 0.016 0.000 1.406 447 M HN 0.457 nan 8.290 nan 0.000 0.459 448 E N 0.320 120.534 120.200 0.023 0.000 2.427 448 E HA -0.048 4.302 4.350 0.001 0.000 0.196 448 E C 2.057 178.673 176.600 0.027 0.000 1.028 448 E CA 0.577 56.993 56.400 0.027 0.000 0.864 448 E CB -0.004 29.711 29.700 0.025 0.000 0.813 448 E HN 0.504 nan 8.360 nan 0.000 0.514 449 A N 2.381 125.216 122.820 0.024 0.000 1.908 449 A HA -0.142 4.178 4.320 0.001 0.000 0.218 449 A C -0.297 177.303 177.584 0.026 0.000 1.181 449 A CA 1.238 53.290 52.037 0.024 0.000 0.627 449 A CB -1.369 17.645 19.000 0.023 0.000 0.818 449 A HN 0.149 nan 8.150 nan 0.000 0.445 450 P HA -0.159 nan 4.420 nan 0.000 0.215 450 P C 1.830 179.150 177.300 0.033 0.000 1.157 450 P CA 0.798 63.916 63.100 0.029 0.000 0.868 450 P CB -0.144 31.573 31.700 0.028 0.000 0.788 451 L N 0.011 121.257 121.223 0.038 0.000 1.994 451 L HA -0.152 4.188 4.340 0.001 0.000 0.208 451 L C 2.222 179.117 176.870 0.042 0.000 1.071 451 L CA 2.092 56.961 54.840 0.048 0.000 0.745 451 L CB -1.036 41.057 42.059 0.057 0.000 0.892 451 L HN -0.065 nan 8.230 nan 0.000 0.431 452 R N -0.674 119.846 120.500 0.033 0.000 2.103 452 R HA -0.204 4.137 4.340 0.001 0.000 0.242 452 R C 2.140 178.455 176.300 0.025 0.000 1.142 452 R CA 1.679 57.795 56.100 0.026 0.000 0.960 452 R CB -0.142 30.172 30.300 0.022 0.000 0.858 452 R HN 0.540 nan 8.270 nan 0.000 0.439 453 Q N 0.101 119.916 119.800 0.026 0.000 2.269 453 Q HA 0.019 4.360 4.340 0.001 0.000 0.201 453 Q C 2.171 178.186 176.000 0.025 0.000 0.946 453 Q CA 0.820 56.637 55.803 0.023 0.000 0.877 453 Q CB 0.047 28.798 28.738 0.022 0.000 0.963 453 Q HN 0.412 nan 8.270 nan 0.000 0.472 454 I N 0.011 120.599 120.570 0.030 0.000 2.127 454 I HA -0.271 3.900 4.170 0.001 0.000 0.241 454 I C 2.199 178.340 176.117 0.041 0.000 1.075 454 I CA 1.057 62.377 61.300 0.033 0.000 1.334 454 I CB -0.319 37.704 38.000 0.038 0.000 1.040 454 I HN -0.036 nan 8.210 nan 0.000 0.405 455 V N 0.449 120.391 119.914 0.047 0.000 2.427 455 V HA -0.253 3.868 4.120 0.001 0.000 0.248 455 V C 2.327 178.439 176.094 0.030 0.000 1.051 455 V CA 1.444 63.772 62.300 0.047 0.000 1.048 455 V CB -0.445 31.396 31.823 0.030 0.000 0.666 455 V HN 0.349 nan 8.190 nan 0.000 0.456 456 L N 0.396 121.633 121.223 0.023 0.000 2.083 456 L HA -0.126 4.215 4.340 0.001 0.000 0.209 456 L C 2.212 179.093 176.870 0.018 0.000 1.083 456 L CA 1.847 56.698 54.840 0.018 0.000 0.752 456 L CB -0.742 41.326 42.059 0.016 0.000 0.899 456 L HN 0.329 nan 8.230 nan 0.000 0.433 457 N N -1.201 117.511 118.700 0.020 0.000 2.142 457 N HA -0.177 4.564 4.740 0.001 0.000 0.186 457 N C 1.765 177.287 175.510 0.019 0.000 1.023 457 N CA 1.785 54.845 53.050 0.017 0.000 0.852 457 N CB -0.279 38.218 38.487 0.016 0.000 0.998 457 N HN 0.422 nan 8.380 nan 0.000 0.424 458 C N -0.418 118.899 119.300 0.028 0.000 2.432 458 C HA 0.078 4.539 4.460 0.001 0.000 0.280 458 C C 1.973 176.985 174.990 0.035 0.000 1.353 458 C CA 0.866 59.906 59.018 0.036 0.000 1.766 458 C CB -0.865 26.913 27.740 0.063 0.000 1.924 458 C HN 0.724 nan 8.230 nan 0.000 0.509 459 G N -0.046 108.772 108.800 0.030 0.000 2.254 459 G HA2 -0.187 3.774 3.960 0.001 0.000 0.225 459 G HA3 -0.187 3.774 3.960 0.001 0.000 0.225 459 G C -0.065 174.847 174.900 0.021 0.000 1.003 459 G CA 0.215 45.329 45.100 0.023 0.000 0.622 459 G HN 0.496 nan 8.290 nan 0.000 0.507 460 E N 1.365 121.582 120.200 0.028 0.000 2.428 460 E HA 0.477 4.827 4.350 0.001 0.000 0.257 460 E C 0.474 177.066 176.600 -0.014 0.000 1.197 460 E CA 0.169 56.570 56.400 0.001 0.000 0.974 460 E CB 0.336 30.026 29.700 -0.017 0.000 0.976 460 E HN 0.510 nan 8.360 nan 0.000 0.463 461 E N 2.039 122.220 120.200 -0.032 0.000 2.089 461 E HA 0.081 4.431 4.350 0.001 0.000 0.284 461 E C -1.786 174.801 176.600 -0.023 0.000 1.023 461 E CA -1.579 54.809 56.400 -0.020 0.000 0.819 461 E CB 0.866 30.556 29.700 -0.016 0.000 1.076 461 E HN 0.309 nan 8.360 nan 0.000 0.396 462 P HA -0.271 nan 4.420 nan 0.000 0.213 462 P C 1.416 178.716 177.300 -0.001 0.000 1.176 462 P CA 1.631 64.731 63.100 -0.001 0.000 0.919 462 P CB 0.151 31.855 31.700 0.007 0.000 0.791 463 S N -1.637 114.064 115.700 0.001 0.000 2.453 463 S HA -0.065 4.406 4.470 0.001 0.000 0.231 463 S C 1.923 176.523 174.600 0.001 0.000 1.005 463 S CA 1.010 59.213 58.200 0.004 0.000 0.949 463 S CB -1.534 61.669 63.200 0.004 0.000 0.774 463 S HN -0.055 nan 8.310 nan 0.000 0.510 464 V N 1.602 121.512 119.914 -0.007 0.000 2.346 464 V HA -0.075 4.046 4.120 0.001 0.000 0.244 464 V C 2.584 178.673 176.094 -0.009 0.000 1.037 464 V CA 1.323 63.617 62.300 -0.010 0.000 1.029 464 V CB -0.823 30.990 31.823 -0.016 0.000 0.663 464 V HN 0.428 nan 8.190 nan 0.000 0.454 465 V N 0.643 120.534 119.914 -0.038 0.000 2.407 465 V HA -0.242 3.879 4.120 0.001 0.000 0.248 465 V C 2.765 178.881 176.094 0.038 0.000 1.055 465 V CA 1.899 64.165 62.300 -0.057 0.000 1.049 465 V CB -1.237 30.466 31.823 -0.200 0.000 0.662 465 V HN 0.536 nan 8.190 nan 0.000 0.455 466 A N 0.709 123.548 122.820 0.031 0.000 1.883 466 A HA -0.270 4.051 4.320 0.001 0.000 0.217 466 A C 2.090 179.705 177.584 0.051 0.000 1.186 466 A CA 2.283 54.350 52.037 0.050 0.000 0.624 466 A CB -0.736 18.284 19.000 0.032 0.000 0.822 466 A HN 0.585 nan 8.150 nan 0.000 0.444 467 N N -0.178 118.539 118.700 0.029 0.000 2.120 467 N HA -0.132 4.608 4.740 0.001 0.000 0.188 467 N C 1.982 177.498 175.510 0.010 0.000 1.024 467 N CA 2.234 55.292 53.050 0.014 0.000 0.852 467 N CB -0.855 37.631 38.487 -0.001 0.000 1.003 467 N HN 0.744 nan 8.380 nan 0.000 0.424 468 T N -1.449 113.120 114.554 0.025 0.000 2.812 468 T HA -0.006 4.345 4.350 0.001 0.000 0.264 468 T C 2.154 176.917 174.700 0.103 0.000 1.042 468 T CA 0.896 62.990 62.100 -0.008 0.000 1.140 468 T CB -0.825 68.003 68.868 -0.067 0.000 0.870 468 T HN -0.094 nan 8.240 nan 0.000 0.445 469 V N 2.018 122.085 119.914 0.256 0.000 2.392 469 V HA -0.184 3.937 4.120 0.001 0.000 0.249 469 V C 2.784 179.006 176.094 0.214 0.000 1.059 469 V CA 1.911 64.429 62.300 0.363 0.000 1.051 469 V CB -0.621 31.375 31.823 0.288 0.000 0.658 469 V HN 0.531 nan 8.190 nan 0.000 0.455 470 K N -0.093 120.365 120.400 0.098 0.000 2.097 470 K HA -0.066 4.255 4.320 0.001 0.000 0.205 470 K C 2.203 178.784 176.600 -0.032 0.000 1.050 470 K CA 1.313 57.621 56.287 0.036 0.000 0.938 470 K CB -0.499 32.014 32.500 0.022 0.000 0.718 470 K HN 0.561 nan 8.250 nan 0.000 0.442 471 G N 1.022 109.777 108.800 -0.076 0.000 2.430 471 G HA2 -0.063 3.898 3.960 0.001 0.000 0.216 471 G HA3 -0.063 3.898 3.960 0.001 0.000 0.216 471 G C 0.689 175.414 174.900 -0.291 0.000 1.146 471 G CA 0.402 45.414 45.100 -0.147 0.000 0.793 471 G HN 0.339 nan 8.290 nan 0.000 0.537 472 G N 0.032 108.515 108.800 -0.528 0.000 2.503 472 G HA2 0.442 4.403 3.960 0.001 0.000 0.257 472 G HA3 0.442 4.403 3.960 0.001 0.000 0.257 472 G C -0.905 173.684 174.900 -0.518 0.000 1.214 472 G CA -0.436 43.999 45.100 -1.109 0.000 0.839 472 G HN 0.175 nan 8.290 nan 0.000 0.559 473 D N 0.438 120.632 120.400 -0.343 0.000 2.163 473 D HA 0.467 5.108 4.640 0.001 0.000 0.248 473 D C 1.140 177.463 176.300 0.039 0.000 1.035 473 D CA 0.705 54.649 54.000 -0.094 0.000 0.872 473 D CB 1.852 42.599 40.800 -0.088 0.000 1.183 473 D HN 0.680 nan 8.370 nan 0.000 0.445 474 G N 3.696 112.522 108.800 0.044 0.000 2.677 474 G HA2 -0.423 3.538 3.960 0.001 0.000 0.321 474 G HA3 -0.423 3.538 3.960 0.001 0.000 0.321 474 G C 0.845 175.804 174.900 0.098 0.000 1.181 474 G CA 0.701 45.837 45.100 0.061 0.000 0.965 474 G HN 0.586 nan 8.290 nan 0.000 0.548 475 N N 0.068 118.830 118.700 0.104 0.000 2.515 475 N HA 0.194 4.935 4.740 0.001 0.000 0.185 475 N C 0.786 176.389 175.510 0.155 0.000 1.109 475 N CA 0.513 53.626 53.050 0.104 0.000 0.903 475 N CB 0.017 38.547 38.487 0.073 0.000 0.969 475 N HN 0.551 nan 8.380 nan 0.000 0.450 476 Y N 0.881 121.210 120.300 0.049 0.000 2.702 476 Y HA 0.271 4.822 4.550 0.001 0.000 0.336 476 Y C 0.952 176.915 175.900 0.104 0.000 1.235 476 Y CA 0.528 58.674 58.100 0.076 0.000 1.492 476 Y CB 0.228 38.727 38.460 0.065 0.000 1.308 476 Y HN 0.033 nan 8.280 nan 0.000 0.589 477 G N 3.216 111.950 108.800 -0.110 0.000 2.554 477 G HA2 0.196 4.157 3.960 0.001 0.000 0.306 477 G HA3 0.196 4.157 3.960 0.001 0.000 0.306 477 G C -2.520 172.350 174.900 -0.050 0.000 1.320 477 G CA -0.964 44.154 45.100 0.030 0.000 0.800 477 G HN 0.523 nan 8.290 nan 0.000 0.481 478 Y N 1.758 121.989 120.300 -0.114 0.000 2.353 478 Y HA 0.530 5.081 4.550 0.001 0.000 0.340 478 Y C 0.275 176.031 175.900 -0.240 0.000 0.972 478 Y CA -1.543 56.369 58.100 -0.314 0.000 1.157 478 Y CB 1.234 39.483 38.460 -0.352 0.000 1.157 478 Y HN 0.411 nan 8.280 nan 0.000 0.495 479 N N 4.945 123.272 118.700 -0.621 0.000 2.466 479 N HA 0.073 4.814 4.740 0.001 0.000 0.263 479 N C 0.512 175.476 175.510 -0.910 0.000 1.178 479 N CA 0.573 53.282 53.050 -0.568 0.000 0.983 479 N CB 0.691 38.953 38.487 -0.375 0.000 1.331 479 N HN 0.827 nan 8.380 nan 0.000 0.500 480 A N 2.875 125.261 122.820 -0.724 0.000 2.248 480 A HA 0.082 4.403 4.320 0.001 0.000 0.210 480 A C 1.890 179.303 177.584 -0.285 0.000 1.174 480 A CA 1.164 52.886 52.037 -0.524 0.000 0.750 480 A CB -0.209 18.716 19.000 -0.125 0.000 0.780 480 A HN 0.664 nan 8.150 nan 0.000 0.478 481 A N -0.382 122.284 122.820 -0.255 0.000 1.903 481 A HA 0.038 4.358 4.320 0.001 0.000 0.213 481 A C 2.261 179.752 177.584 -0.155 0.000 1.185 481 A CA 1.891 53.833 52.037 -0.159 0.000 0.628 481 A CB -0.762 18.163 19.000 -0.125 0.000 0.830 481 A HN 0.660 nan 8.150 nan 0.000 0.446 482 T N -3.322 111.112 114.554 -0.199 0.000 3.081 482 T HA 0.244 4.595 4.350 0.001 0.000 0.250 482 T C 0.201 174.792 174.700 -0.182 0.000 1.100 482 T CA 0.712 62.717 62.100 -0.160 0.000 1.038 482 T CB -0.205 68.581 68.868 -0.137 0.000 0.962 482 T HN 0.559 nan 8.240 nan 0.000 0.516 483 E N 1.292 121.304 120.200 -0.314 0.000 2.702 483 E HA -0.131 4.219 4.350 0.001 0.000 0.292 483 E C -0.194 176.267 176.600 -0.232 0.000 0.987 483 E CA 0.654 56.888 56.400 -0.277 0.000 0.887 483 E CB -1.702 27.977 29.700 -0.035 0.000 1.417 483 E HN 0.965 nan 8.360 nan 0.000 0.403 484 E N -0.883 119.006 120.200 -0.518 0.000 2.454 484 E HA 0.580 4.930 4.350 0.001 0.000 0.279 484 E C -1.059 175.321 176.600 -0.367 0.000 1.029 484 E CA -0.925 55.344 56.400 -0.217 0.000 0.831 484 E CB 1.131 30.789 29.700 -0.071 0.000 1.405 484 E HN 0.023 nan 8.360 nan 0.000 0.463 485 Y N -0.741 119.556 120.300 -0.005 0.000 2.567 485 Y HA 0.811 5.362 4.550 0.001 0.000 0.333 485 Y C 0.767 176.500 175.900 -0.278 0.000 1.106 485 Y CA 0.218 58.207 58.100 -0.184 0.000 1.157 485 Y CB 2.374 40.714 38.460 -0.200 0.000 1.277 485 Y HN 0.933 nan 8.280 nan 0.000 0.490 486 G N 0.353 108.952 108.800 -0.335 0.000 2.317 486 G HA2 0.074 4.035 3.960 0.001 0.000 0.293 486 G HA3 0.074 4.035 3.960 0.001 0.000 0.293 486 G C -1.853 172.936 174.900 -0.185 0.000 1.287 486 G CA -1.338 43.647 45.100 -0.192 0.000 0.850 486 G HN 0.573 nan 8.290 nan 0.000 0.515 487 N N 0.872 119.565 118.700 -0.011 0.000 2.440 487 N HA 0.081 4.822 4.740 0.001 0.000 0.265 487 N C 1.860 177.358 175.510 -0.021 0.000 1.239 487 N CA -0.152 52.911 53.050 0.022 0.000 0.909 487 N CB 0.511 39.027 38.487 0.049 0.000 1.066 487 N HN 0.392 nan 8.380 nan 0.000 0.474 488 M N 3.566 123.155 119.600 -0.018 0.000 2.149 488 M HA -0.165 4.315 4.480 0.001 0.000 0.261 488 M C 1.342 177.630 176.300 -0.019 0.000 1.064 488 M CA 1.117 56.399 55.300 -0.029 0.000 1.102 488 M CB -0.657 31.938 32.600 -0.008 0.000 1.369 488 M HN 0.575 nan 8.290 nan 0.000 0.408 489 I N 0.207 120.776 120.570 -0.002 0.000 2.202 489 I HA -0.233 3.937 4.170 0.001 0.000 0.242 489 I C 1.911 178.024 176.117 -0.006 0.000 1.091 489 I CA 1.329 62.629 61.300 -0.001 0.000 1.368 489 I CB -1.593 36.413 38.000 0.009 0.000 1.058 489 I HN 0.237 nan 8.210 nan 0.000 0.410 490 D N 0.604 121.002 120.400 -0.003 0.000 2.178 490 D HA -0.120 4.520 4.640 0.001 0.000 0.202 490 D C 2.272 178.561 176.300 -0.018 0.000 0.974 490 D CA 1.015 55.012 54.000 -0.006 0.000 0.841 490 D CB -0.051 40.750 40.800 0.002 0.000 0.953 490 D HN 0.333 nan 8.370 nan 0.000 0.478 491 M N -0.790 118.792 119.600 -0.030 0.000 2.562 491 M HA 0.068 4.548 4.480 0.001 0.000 0.257 491 M C 1.136 177.409 176.300 -0.045 0.000 1.099 491 M CA 0.805 56.077 55.300 -0.047 0.000 1.099 491 M CB 0.408 32.964 32.600 -0.074 0.000 1.427 491 M HN 0.089 nan 8.290 nan 0.000 0.489 492 G N 1.858 110.638 108.800 -0.033 0.000 2.132 492 G HA2 -0.213 3.748 3.960 0.001 0.000 0.234 492 G HA3 -0.213 3.748 3.960 0.001 0.000 0.234 492 G C -0.053 174.830 174.900 -0.029 0.000 0.989 492 G CA -0.415 44.669 45.100 -0.028 0.000 0.676 492 G HN 0.470 nan 8.290 nan 0.000 0.522 493 I N 1.452 122.002 120.570 -0.032 0.000 2.355 493 I HA 0.688 4.859 4.170 0.001 0.000 0.288 493 I C 0.401 176.509 176.117 -0.016 0.000 0.999 493 I CA -0.962 60.320 61.300 -0.031 0.000 1.163 493 I CB 1.271 39.242 38.000 -0.048 0.000 1.316 493 I HN 0.301 nan 8.210 nan 0.000 0.454 494 L N 3.032 124.250 121.223 -0.009 0.000 2.545 494 L HA 0.701 5.042 4.340 0.001 0.000 0.258 494 L C -1.903 174.969 176.870 0.003 0.000 0.942 494 L CA -0.881 53.959 54.840 0.000 0.000 0.855 494 L CB 2.539 44.599 42.059 0.001 0.000 1.374 494 L HN 0.247 nan 8.230 nan 0.000 0.411 495 D N 2.777 123.182 120.400 0.008 0.000 2.168 495 D HA 0.475 5.116 4.640 0.001 0.000 0.246 495 D C -2.567 173.739 176.300 0.011 0.000 1.050 495 D CA -1.368 52.638 54.000 0.010 0.000 0.857 495 D CB 1.921 42.729 40.800 0.013 0.000 1.169 495 D HN 0.391 nan 8.370 nan 0.000 0.453 496 P HA 0.053 nan 4.420 nan 0.000 0.267 496 P C 0.806 178.112 177.300 0.011 0.000 1.205 496 P CA -0.019 63.089 63.100 0.014 0.000 0.765 496 P CB 0.667 32.379 31.700 0.020 0.000 0.828 497 T N 2.562 117.120 114.554 0.007 0.000 2.708 497 T HA -0.198 4.153 4.350 0.001 0.000 0.266 497 T C 1.631 176.328 174.700 -0.004 0.000 1.037 497 T CA 1.407 63.508 62.100 0.001 0.000 1.146 497 T CB -0.333 68.535 68.868 0.000 0.000 0.865 497 T HN 0.498 nan 8.240 nan 0.000 0.435 498 K N 1.059 121.460 120.400 0.001 0.000 2.032 498 K HA -0.146 4.175 4.320 0.001 0.000 0.209 498 K C 2.409 179.008 176.600 -0.002 0.000 1.048 498 K CA 1.840 58.127 56.287 -0.001 0.000 0.927 498 K CB -0.391 32.118 32.500 0.015 0.000 0.712 498 K HN 0.363 nan 8.250 nan 0.000 0.441 499 V N -1.185 118.738 119.914 0.015 0.000 2.427 499 V HA -0.154 3.967 4.120 0.001 0.000 0.248 499 V C 1.887 177.986 176.094 0.008 0.000 1.051 499 V CA 2.123 64.439 62.300 0.027 0.000 1.048 499 V CB -0.995 30.852 31.823 0.041 0.000 0.666 499 V HN 0.291 nan 8.190 nan 0.000 0.456 500 T N 0.481 115.035 114.554 -0.000 0.000 2.643 500 T HA -0.153 4.198 4.350 0.001 0.000 0.264 500 T C 2.112 176.791 174.700 -0.035 0.000 1.045 500 T CA 2.035 64.130 62.100 -0.008 0.000 1.155 500 T CB -0.448 68.418 68.868 -0.002 0.000 0.863 500 T HN 0.420 nan 8.240 nan 0.000 0.420 501 R N 1.162 121.633 120.500 -0.048 0.000 2.083 501 R HA -0.057 4.284 4.340 0.001 0.000 0.237 501 R C 2.528 178.733 176.300 -0.158 0.000 1.137 501 R CA 1.811 57.864 56.100 -0.079 0.000 0.951 501 R CB -0.807 29.456 30.300 -0.061 0.000 0.851 501 R HN 0.347 nan 8.270 nan 0.000 0.434 502 S N 0.634 116.220 115.700 -0.191 0.000 2.371 502 S HA -0.043 4.428 4.470 0.001 0.000 0.224 502 S C 2.089 176.389 174.600 -0.499 0.000 1.029 502 S CA 1.034 58.971 58.200 -0.437 0.000 0.978 502 S CB -0.281 62.761 63.200 -0.264 0.000 0.833 502 S HN 0.529 nan 8.310 nan 0.000 0.466 503 A N 2.259 124.999 122.820 -0.133 0.000 1.908 503 A HA -0.059 4.262 4.320 0.001 0.000 0.218 503 A C 2.092 179.660 177.584 -0.027 0.000 1.181 503 A CA 1.209 53.252 52.037 0.011 0.000 0.627 503 A CB -0.816 18.211 19.000 0.045 0.000 0.818 503 A HN 0.432 nan 8.150 nan 0.000 0.445 504 L N -0.206 120.976 121.223 -0.068 0.000 2.012 504 L HA -0.231 4.110 4.340 0.001 0.000 0.210 504 L C 2.422 179.249 176.870 -0.072 0.000 1.073 504 L CA 2.499 57.308 54.840 -0.051 0.000 0.748 504 L CB -1.214 40.816 42.059 -0.048 0.000 0.891 504 L HN 0.554 nan 8.230 nan 0.000 0.431 505 Q N -1.258 118.440 119.800 -0.169 0.000 2.046 505 Q HA -0.224 4.116 4.340 0.001 0.000 0.200 505 Q C 2.097 178.058 176.000 -0.066 0.000 0.975 505 Q CA 1.808 57.511 55.803 -0.167 0.000 0.836 505 Q CB -0.265 28.303 28.738 -0.283 0.000 0.896 505 Q HN 0.503 nan 8.270 nan 0.000 0.428 506 Y N 0.305 120.609 120.300 0.007 0.000 2.181 506 Y HA -0.158 4.393 4.550 0.001 0.000 0.288 506 Y C 2.403 178.307 175.900 0.007 0.000 1.146 506 Y CA 0.723 58.827 58.100 0.006 0.000 1.164 506 Y CB -1.095 37.368 38.460 0.006 0.000 0.982 506 Y HN 0.126 nan 8.280 nan 0.000 0.515 507 A N 0.330 123.240 122.820 0.150 0.000 1.883 507 A HA -0.145 4.176 4.320 0.001 0.000 0.217 507 A C 2.538 180.158 177.584 0.060 0.000 1.186 507 A CA 2.242 54.331 52.037 0.087 0.000 0.624 507 A CB -1.296 17.739 19.000 0.059 0.000 0.822 507 A HN 0.394 nan 8.150 nan 0.000 0.444 508 A N -0.963 121.883 122.820 0.043 0.000 1.933 508 A HA -0.101 4.220 4.320 0.001 0.000 0.218 508 A C 2.483 180.091 177.584 0.040 0.000 1.175 508 A CA 2.242 54.297 52.037 0.031 0.000 0.628 508 A CB -0.960 18.048 19.000 0.013 0.000 0.814 508 A HN 0.578 nan 8.150 nan 0.000 0.444 509 S N -0.658 115.078 115.700 0.059 0.000 2.343 509 S HA -0.136 4.335 4.470 0.001 0.000 0.219 509 S C 1.942 176.575 174.600 0.055 0.000 1.033 509 S CA 1.743 59.982 58.200 0.064 0.000 1.014 509 S CB -0.552 62.710 63.200 0.102 0.000 0.915 509 S HN 0.302 nan 8.310 nan 0.000 0.435 510 V N 2.250 122.201 119.914 0.062 0.000 2.295 510 V HA -0.144 3.976 4.120 0.001 0.000 0.246 510 V C 2.866 178.980 176.094 0.034 0.000 1.049 510 V CA 1.881 64.206 62.300 0.042 0.000 1.024 510 V CB -1.379 30.468 31.823 0.041 0.000 0.648 510 V HN 0.624 nan 8.190 nan 0.000 0.447 511 A N 0.436 123.278 122.820 0.036 0.000 1.877 511 A HA -0.083 4.238 4.320 0.001 0.000 0.216 511 A C 2.421 180.021 177.584 0.026 0.000 1.186 511 A CA 1.933 53.988 52.037 0.029 0.000 0.620 511 A CB -1.242 17.776 19.000 0.029 0.000 0.822 511 A HN 0.532 nan 8.150 nan 0.000 0.443 512 G N -0.427 108.389 108.800 0.027 0.000 2.422 512 G HA2 -0.101 3.860 3.960 0.001 0.000 0.218 512 G HA3 -0.101 3.860 3.960 0.001 0.000 0.218 512 G C 1.449 176.363 174.900 0.023 0.000 1.140 512 G CA 0.948 46.062 45.100 0.024 0.000 0.775 512 G HN 0.434 nan 8.290 nan 0.000 0.545 513 L N -0.364 120.873 121.223 0.023 0.000 2.395 513 L HA 0.240 4.580 4.340 0.001 0.000 0.218 513 L C 2.656 179.537 176.870 0.018 0.000 1.130 513 L CA 0.281 55.133 54.840 0.020 0.000 0.826 513 L CB -0.127 41.943 42.059 0.019 0.000 0.941 513 L HN 0.276 nan 8.230 nan 0.000 0.451 514 M N 0.405 120.017 119.600 0.020 0.000 2.429 514 M HA -0.048 4.433 4.480 0.001 0.000 0.265 514 M C 2.259 178.573 176.300 0.023 0.000 1.120 514 M CA 1.168 56.480 55.300 0.020 0.000 1.173 514 M CB 0.210 32.822 32.600 0.020 0.000 1.343 514 M HN 0.250 nan 8.290 nan 0.000 0.464 515 I N -1.399 119.185 120.570 0.024 0.000 2.567 515 I HA -0.139 4.032 4.170 0.001 0.000 0.257 515 I C 1.718 177.851 176.117 0.027 0.000 1.184 515 I CA 1.621 62.936 61.300 0.025 0.000 1.451 515 I CB -1.270 36.744 38.000 0.023 0.000 1.089 515 I HN 0.285 nan 8.210 nan 0.000 0.441 516 T N -1.557 113.012 114.554 0.025 0.000 3.113 516 T HA 0.013 4.364 4.350 0.001 0.000 0.263 516 T C 0.939 175.658 174.700 0.031 0.000 1.143 516 T CA 0.308 62.425 62.100 0.027 0.000 1.090 516 T CB -1.206 67.676 68.868 0.024 0.000 0.922 516 T HN 0.336 nan 8.240 nan 0.000 0.521 517 T N 3.109 117.682 114.554 0.031 0.000 2.765 517 T HA 0.141 4.491 4.350 0.001 0.000 0.284 517 T C 0.826 175.556 174.700 0.049 0.000 0.946 517 T CA 0.088 62.208 62.100 0.034 0.000 1.185 517 T CB 0.859 69.746 68.868 0.033 0.000 0.887 517 T HN 0.315 nan 8.240 nan 0.000 0.532 518 E N 1.228 121.463 120.200 0.059 0.000 2.473 518 E HA 0.218 4.568 4.350 0.001 0.000 0.204 518 E C 0.010 176.677 176.600 0.112 0.000 0.994 518 E CA -0.048 56.412 56.400 0.100 0.000 0.945 518 E CB 0.468 30.236 29.700 0.114 0.000 0.990 518 E HN 0.643 nan 8.360 nan 0.000 0.493 519 C N 0.014 119.323 119.300 0.015 0.000 3.082 519 C HA 0.672 5.133 4.460 0.001 0.000 0.324 519 C C -1.552 173.388 174.990 -0.083 0.000 1.210 519 C CA -0.740 58.197 59.018 -0.135 0.000 1.366 519 C CB 0.583 28.126 27.740 -0.329 0.000 1.756 519 C HN 0.266 nan 8.230 nan 0.000 0.485 520 M N 4.586 124.151 119.600 -0.058 0.000 2.326 520 M HA 0.639 5.119 4.480 0.001 0.000 0.306 520 M C -1.133 175.187 176.300 0.034 0.000 1.054 520 M CA -0.529 54.789 55.300 0.030 0.000 0.922 520 M CB 2.101 34.816 32.600 0.192 0.000 1.632 520 M HN 0.392 nan 8.290 nan 0.000 0.436 521 V N 1.277 121.148 119.914 -0.072 0.000 2.588 521 V HA 0.849 4.969 4.120 0.001 0.000 0.304 521 V C -0.419 175.559 176.094 -0.195 0.000 1.042 521 V CA -0.465 61.780 62.300 -0.092 0.000 0.877 521 V CB 2.084 33.861 31.823 -0.077 0.000 0.996 521 V HN 0.930 nan 8.190 nan 0.000 0.425 522 T N 1.768 116.188 114.554 -0.225 0.000 2.886 522 T HA 0.306 4.657 4.350 0.001 0.000 0.330 522 T C -1.676 172.927 174.700 -0.162 0.000 1.488 522 T CA -0.623 61.313 62.100 -0.274 0.000 1.054 522 T CB 1.775 70.325 68.868 -0.530 0.000 1.348 522 T HN 0.653 nan 8.240 nan 0.000 0.489 523 D N 2.294 122.623 120.400 -0.119 0.000 2.382 523 D HA 0.271 4.912 4.640 0.001 0.000 0.240 523 D C 0.555 176.836 176.300 -0.033 0.000 1.146 523 D CA 0.009 53.973 54.000 -0.060 0.000 0.897 523 D CB 0.571 41.340 40.800 -0.051 0.000 1.197 523 D HN 0.461 nan 8.370 nan 0.000 0.432 524 L N 2.815 124.036 121.223 -0.003 0.000 2.461 524 L HA 0.133 4.473 4.340 0.001 0.000 0.272 524 L C -1.136 175.741 176.870 0.011 0.000 1.197 524 L CA -1.048 53.803 54.840 0.018 0.000 0.836 524 L CB 0.061 42.133 42.059 0.021 0.000 1.105 524 L HN 0.332 nan 8.230 nan 0.000 0.477 525 P HA 0.581 nan 4.420 nan 0.000 0.345 525 P C -0.729 176.580 177.300 0.015 0.000 1.344 525 P CA -0.147 62.963 63.100 0.017 0.000 0.803 525 P CB 0.742 32.459 31.700 0.028 0.000 1.876 526 K N 0.000 120.408 120.400 0.014 0.000 2.780 526 K HA 0.000 4.321 4.320 0.001 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543