REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2eu1_1_G DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEK PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 2 A CB 0.000 18.998 19.000 -0.004 0.000 0.831 3 A N 0.440 123.260 122.820 0.000 0.000 2.561 3 A HA 0.481 4.801 4.320 0.000 0.000 0.234 3 A C 0.126 177.709 177.584 -0.000 0.000 1.055 3 A CA 0.701 52.741 52.037 0.005 0.000 0.756 3 A CB -0.253 18.752 19.000 0.008 0.000 0.986 3 A HN 0.548 nan 8.150 nan 0.000 0.505 4 K N 0.823 121.228 120.400 0.008 0.000 2.395 4 K HA 0.527 4.847 4.320 0.000 0.000 0.245 4 K C -1.350 175.265 176.600 0.025 0.000 1.017 4 K CA -0.742 55.545 56.287 0.001 0.000 0.852 4 K CB 1.670 34.170 32.500 0.000 0.000 1.311 4 K HN 0.738 nan 8.250 nan 0.000 0.452 5 D N 0.491 120.909 120.400 0.031 0.000 2.362 5 D HA 0.467 5.107 4.640 0.000 0.000 0.247 5 D C -1.427 174.982 176.300 0.182 0.000 1.050 5 D CA -0.570 53.501 54.000 0.119 0.000 0.839 5 D CB 1.597 42.492 40.800 0.159 0.000 1.283 5 D HN 0.095 nan 8.370 nan 0.000 0.477 6 V N 3.871 123.874 119.914 0.148 0.000 2.531 6 V HA 0.455 4.575 4.120 0.000 0.000 0.301 6 V C 0.067 176.080 176.094 -0.135 0.000 1.034 6 V CA -0.860 61.438 62.300 -0.003 0.000 0.865 6 V CB 1.855 33.624 31.823 -0.090 0.000 0.995 6 V HN 0.392 nan 8.190 nan 0.000 0.424 7 K N 3.135 123.336 120.400 -0.332 0.000 2.221 7 K HA 0.770 5.090 4.320 0.000 0.000 0.243 7 K C -1.605 174.681 176.600 -0.523 0.000 0.968 7 K CA -0.600 55.445 56.287 -0.403 0.000 0.846 7 K CB 2.446 34.526 32.500 -0.700 0.000 1.141 7 K HN 0.447 nan 8.250 nan 0.000 0.434 8 F N -0.373 119.516 119.950 -0.101 0.000 2.577 8 F HA 0.330 4.857 4.527 0.000 0.000 0.318 8 F C 1.171 176.935 175.800 -0.060 0.000 1.065 8 F CA 0.097 58.062 58.000 -0.058 0.000 0.929 8 F CB 1.751 40.730 39.000 -0.035 0.000 1.237 8 F HN 0.848 nan 8.300 nan 0.000 0.468 9 G N 2.416 111.327 108.800 0.184 0.000 2.660 9 G HA2 -0.458 3.502 3.960 0.000 0.000 0.338 9 G HA3 -0.458 3.502 3.960 0.000 0.000 0.338 9 G C 1.387 176.304 174.900 0.029 0.000 1.336 9 G CA 0.957 46.111 45.100 0.089 0.000 0.990 9 G HN 0.766 nan 8.290 nan 0.000 0.537 10 N N 0.372 119.084 118.700 0.021 0.000 2.037 10 N HA -0.224 4.516 4.740 0.000 0.000 0.196 10 N C 1.877 177.373 175.510 -0.023 0.000 1.034 10 N CA 2.431 55.481 53.050 -0.001 0.000 0.861 10 N CB -0.397 38.091 38.487 0.001 0.000 1.039 10 N HN 0.595 nan 8.380 nan 0.000 0.427 11 D N 0.369 120.753 120.400 -0.027 0.000 2.127 11 D HA -0.131 4.509 4.640 0.000 0.000 0.190 11 D C 1.713 177.934 176.300 -0.131 0.000 1.000 11 D CA 1.807 55.766 54.000 -0.068 0.000 0.839 11 D CB -0.488 40.276 40.800 -0.060 0.000 0.955 11 D HN 0.375 nan 8.370 nan 0.000 0.446 12 A N 0.134 122.862 122.820 -0.154 0.000 2.019 12 A HA -0.138 4.182 4.320 0.000 0.000 0.219 12 A C 2.319 179.832 177.584 -0.118 0.000 1.164 12 A CA 1.218 53.121 52.037 -0.223 0.000 0.644 12 A CB -0.353 18.521 19.000 -0.209 0.000 0.805 12 A HN 0.219 nan 8.150 nan 0.000 0.449 13 R N -0.519 119.943 120.500 -0.063 0.000 2.062 13 R HA -0.070 4.270 4.340 0.000 0.000 0.226 13 R C 2.240 178.525 176.300 -0.025 0.000 1.125 13 R CA 1.454 57.536 56.100 -0.029 0.000 0.966 13 R CB -0.700 29.593 30.300 -0.012 0.000 0.861 13 R HN 0.549 nan 8.270 nan 0.000 0.433 14 V N 0.270 120.166 119.914 -0.031 0.000 2.453 14 V HA -0.249 3.871 4.120 0.000 0.000 0.252 14 V C 1.961 178.045 176.094 -0.017 0.000 1.068 14 V CA 1.599 63.887 62.300 -0.021 0.000 1.070 14 V CB -0.483 31.326 31.823 -0.023 0.000 0.664 14 V HN 0.114 nan 8.190 nan 0.000 0.461 15 K N 0.010 120.388 120.400 -0.036 0.000 2.026 15 K HA -0.050 4.270 4.320 0.000 0.000 0.208 15 K C 2.232 178.852 176.600 0.035 0.000 1.048 15 K CA 2.240 58.524 56.287 -0.005 0.000 0.929 15 K CB -0.536 31.938 32.500 -0.043 0.000 0.713 15 K HN 0.574 nan 8.250 nan 0.000 0.439 16 M N 0.242 119.859 119.600 0.029 0.000 2.067 16 M HA -0.202 4.278 4.480 0.000 0.000 0.260 16 M C 2.296 178.611 176.300 0.026 0.000 1.069 16 M CA 1.245 56.569 55.300 0.039 0.000 1.117 16 M CB -0.505 32.114 32.600 0.031 0.000 1.334 16 M HN 0.049 nan 8.290 nan 0.000 0.407 17 L N 0.824 122.056 121.223 0.015 0.000 1.971 17 L HA -0.245 4.095 4.340 0.000 0.000 0.215 17 L C 2.501 179.379 176.870 0.013 0.000 1.072 17 L CA 2.132 56.979 54.840 0.012 0.000 0.758 17 L CB -0.787 41.276 42.059 0.007 0.000 0.889 17 L HN 0.200 nan 8.230 nan 0.000 0.433 18 R N -0.378 120.130 120.500 0.013 0.000 2.119 18 R HA -0.170 4.170 4.340 0.000 0.000 0.246 18 R C 2.096 178.407 176.300 0.018 0.000 1.146 18 R CA 1.987 58.096 56.100 0.014 0.000 0.962 18 R CB -1.160 29.149 30.300 0.015 0.000 0.863 18 R HN 0.582 nan 8.270 nan 0.000 0.442 19 G N -0.509 108.306 108.800 0.025 0.000 2.424 19 G HA2 -0.221 3.739 3.960 0.000 0.000 0.214 19 G HA3 -0.221 3.739 3.960 0.000 0.000 0.214 19 G C 1.413 176.322 174.900 0.016 0.000 1.202 19 G CA 0.597 45.712 45.100 0.025 0.000 0.793 19 G HN 0.295 nan 8.290 nan 0.000 0.534 20 V N 1.310 121.233 119.914 0.016 0.000 2.568 20 V HA -0.188 3.932 4.120 0.000 0.000 0.253 20 V C 2.373 178.472 176.094 0.009 0.000 1.072 20 V CA 2.483 64.790 62.300 0.011 0.000 1.084 20 V CB -0.545 31.285 31.823 0.013 0.000 0.676 20 V HN 0.282 nan 8.190 nan 0.000 0.469 21 N N 0.270 118.976 118.700 0.009 0.000 2.120 21 N HA -0.123 4.617 4.740 0.000 0.000 0.188 21 N C 1.772 177.285 175.510 0.005 0.000 1.024 21 N CA 1.842 54.896 53.050 0.007 0.000 0.852 21 N CB -0.501 37.990 38.487 0.007 0.000 1.003 21 N HN 0.491 nan 8.380 nan 0.000 0.424 22 V N 1.594 121.512 119.914 0.006 0.000 2.287 22 V HA -0.204 3.916 4.120 0.000 0.000 0.248 22 V C 2.425 178.520 176.094 0.001 0.000 1.053 22 V CA 1.195 63.497 62.300 0.003 0.000 1.027 22 V CB -0.677 31.149 31.823 0.004 0.000 0.646 22 V HN 0.199 nan 8.190 nan 0.000 0.447 23 L N 1.105 122.329 121.223 0.001 0.000 1.970 23 L HA -0.113 4.227 4.340 0.000 0.000 0.212 23 L C 2.486 179.355 176.870 -0.001 0.000 1.071 23 L CA 2.553 57.392 54.840 -0.001 0.000 0.751 23 L CB -1.195 40.863 42.059 -0.001 0.000 0.889 23 L HN 0.215 nan 8.230 nan 0.000 0.432 24 A N -0.715 122.106 122.820 0.001 0.000 1.883 24 A HA -0.233 4.087 4.320 0.000 0.000 0.217 24 A C 1.997 179.582 177.584 0.001 0.000 1.186 24 A CA 1.981 54.019 52.037 0.001 0.000 0.624 24 A CB -0.977 18.026 19.000 0.004 0.000 0.822 24 A HN 0.615 nan 8.150 nan 0.000 0.444 25 D N 0.030 120.430 120.400 0.001 0.000 2.178 25 D HA -0.023 4.617 4.640 0.000 0.000 0.202 25 D C 2.112 178.411 176.300 -0.001 0.000 0.974 25 D CA 1.373 55.373 54.000 0.000 0.000 0.841 25 D CB -0.347 40.454 40.800 0.001 0.000 0.953 25 D HN 0.464 nan 8.370 nan 0.000 0.478 26 A N 0.542 123.361 122.820 -0.002 0.000 1.968 26 A HA -0.052 4.268 4.320 0.000 0.000 0.217 26 A C 2.337 179.918 177.584 -0.005 0.000 1.169 26 A CA 0.723 52.758 52.037 -0.004 0.000 0.638 26 A CB -0.408 18.589 19.000 -0.005 0.000 0.812 26 A HN 0.178 nan 8.150 nan 0.000 0.446 27 V N 0.824 120.735 119.914 -0.005 0.000 2.725 27 V HA -0.108 4.013 4.120 0.000 0.000 0.247 27 V C 2.313 178.404 176.094 -0.005 0.000 1.058 27 V CA 1.936 64.233 62.300 -0.007 0.000 1.080 27 V CB -0.360 31.458 31.823 -0.008 0.000 0.713 27 V HN 0.796 nan 8.190 nan 0.000 0.465 28 K N 0.699 121.098 120.400 -0.003 0.000 2.504 28 K HA -0.024 4.296 4.320 0.000 0.000 0.195 28 K C 1.464 178.063 176.600 -0.002 0.000 1.036 28 K CA 1.528 57.815 56.287 -0.001 0.000 0.984 28 K CB -0.387 32.114 32.500 0.001 0.000 0.788 28 K HN 0.501 nan 8.250 nan 0.000 0.488 29 V N -0.652 119.260 119.914 -0.003 0.000 3.510 29 V HA -0.041 4.079 4.120 0.000 0.000 0.270 29 V C 1.837 177.929 176.094 -0.004 0.000 1.201 29 V CA 1.257 63.555 62.300 -0.002 0.000 1.166 29 V CB -0.740 31.081 31.823 -0.003 0.000 0.825 29 V HN 0.498 nan 8.190 nan 0.000 0.484 30 T N -2.208 112.343 114.554 -0.005 0.000 3.086 30 T HA 0.310 4.660 4.350 0.000 0.000 0.250 30 T C 0.425 175.120 174.700 -0.008 0.000 1.074 30 T CA -0.096 61.999 62.100 -0.007 0.000 0.988 30 T CB 0.015 68.877 68.868 -0.009 0.000 0.988 30 T HN 0.386 nan 8.240 nan 0.000 0.530 31 L N 2.508 123.728 121.223 -0.006 0.000 2.371 31 L HA 0.619 4.959 4.340 0.000 0.000 0.272 31 L C 0.541 177.408 176.870 -0.006 0.000 1.124 31 L CA 1.345 56.182 54.840 -0.005 0.000 0.816 31 L CB -0.039 42.019 42.059 -0.002 0.000 1.129 31 L HN 0.614 nan 8.230 nan 0.000 0.448 32 G N 4.298 113.092 108.800 -0.009 0.000 2.767 32 G HA2 -0.140 3.820 3.960 0.000 0.000 0.686 32 G HA3 -0.140 3.820 3.960 0.000 0.000 0.686 32 G C -1.838 173.051 174.900 -0.019 0.000 1.213 32 G CA -0.420 44.673 45.100 -0.013 0.000 0.803 32 G HN 0.678 nan 8.290 nan 0.000 0.603 33 P HA -0.233 nan 4.420 nan 0.000 0.219 33 P C 1.079 178.364 177.300 -0.025 0.000 1.159 33 P CA 1.932 65.012 63.100 -0.034 0.000 0.944 33 P CB -0.021 31.647 31.700 -0.054 0.000 0.792 34 K N 0.577 120.964 120.400 -0.021 0.000 2.836 34 K HA 0.208 4.528 4.320 0.000 0.000 0.236 34 K C 1.175 177.770 176.600 -0.008 0.000 1.015 34 K CA -0.278 56.002 56.287 -0.013 0.000 1.194 34 K CB -0.648 31.846 32.500 -0.008 0.000 1.002 34 K HN 0.196 nan 8.250 nan 0.000 0.479 35 G N 1.235 110.029 108.800 -0.010 0.000 2.554 35 G HA2 0.002 3.962 3.960 0.000 0.000 0.238 35 G HA3 0.002 3.962 3.960 0.000 0.000 0.238 35 G C 0.158 175.054 174.900 -0.007 0.000 1.259 35 G CA -0.540 44.556 45.100 -0.007 0.000 0.843 35 G HN 0.176 nan 8.290 nan 0.000 0.582 36 R N 0.619 121.116 120.500 -0.005 0.000 2.606 36 R HA 0.292 4.632 4.340 0.000 0.000 0.249 36 R C -0.099 176.197 176.300 -0.006 0.000 1.127 36 R CA -0.916 55.181 56.100 -0.005 0.000 1.133 36 R CB 0.128 30.426 30.300 -0.004 0.000 1.243 36 R HN 0.625 nan 8.270 nan 0.000 0.558 37 N N -1.038 117.658 118.700 -0.006 0.000 2.489 37 N HA 0.431 5.171 4.740 0.000 0.000 0.284 37 N C -1.077 174.429 175.510 -0.007 0.000 1.158 37 N CA -0.588 52.458 53.050 -0.007 0.000 0.965 37 N CB 1.491 39.974 38.487 -0.007 0.000 1.195 37 N HN 0.101 nan 8.380 nan 0.000 0.506 38 V N 1.260 121.169 119.914 -0.008 0.000 2.531 38 V HA 0.322 4.442 4.120 0.000 0.000 0.301 38 V C -0.530 175.559 176.094 -0.009 0.000 1.034 38 V CA -0.897 61.398 62.300 -0.008 0.000 0.865 38 V CB 1.669 33.487 31.823 -0.009 0.000 0.995 38 V HN 0.352 nan 8.190 nan 0.000 0.424 39 V N 6.258 126.167 119.914 -0.010 0.000 2.368 39 V HA 0.367 4.487 4.120 0.000 0.000 0.266 39 V C 0.000 176.087 176.094 -0.012 0.000 1.045 39 V CA -0.309 61.984 62.300 -0.011 0.000 0.899 39 V CB 0.974 32.790 31.823 -0.011 0.000 1.006 39 V HN 0.652 nan 8.190 nan 0.000 0.470 40 L N 4.178 125.394 121.223 -0.012 0.000 2.270 40 L HA 0.402 4.742 4.340 0.000 0.000 0.286 40 L C 0.271 177.133 176.870 -0.014 0.000 1.059 40 L CA -0.402 54.431 54.840 -0.013 0.000 0.839 40 L CB 0.813 42.866 42.059 -0.011 0.000 1.221 40 L HN 0.589 nan 8.230 nan 0.000 0.431 41 D N 3.561 123.949 120.400 -0.019 0.000 2.443 41 D HA 0.056 4.696 4.640 0.000 0.000 0.239 41 D C -0.217 176.070 176.300 -0.021 0.000 1.136 41 D CA 0.304 54.289 54.000 -0.025 0.000 0.879 41 D CB 0.834 41.613 40.800 -0.036 0.000 1.195 41 D HN 0.353 nan 8.370 nan 0.000 0.443 42 K N 2.447 122.835 120.400 -0.020 0.000 2.463 42 K HA 0.247 4.567 4.320 0.000 0.000 0.255 42 K C 1.090 177.687 176.600 -0.004 0.000 0.942 42 K CA -0.337 55.947 56.287 -0.005 0.000 0.814 42 K CB 0.989 33.494 32.500 0.009 0.000 1.122 42 K HN 0.656 nan 8.250 nan 0.000 0.425 43 S N 3.790 119.493 115.700 0.006 0.000 2.068 43 S HA -0.312 4.158 4.470 0.000 0.000 0.498 43 S C 0.438 175.033 174.600 -0.009 0.000 0.963 43 S CA 1.293 59.507 58.200 0.022 0.000 3.049 43 S CB -0.858 62.398 63.200 0.094 0.000 2.163 43 S HN 0.529 nan 8.310 nan 0.000 0.541 44 F N 2.500 122.447 119.950 -0.005 0.000 2.493 44 F HA 0.677 5.204 4.527 0.000 0.000 0.329 44 F C 0.903 176.700 175.800 -0.005 0.000 1.126 44 F CA 0.670 58.668 58.000 -0.005 0.000 0.937 44 F CB 1.747 40.744 39.000 -0.004 0.000 1.146 44 F HN 0.958 nan 8.300 nan 0.000 0.442 45 G N 1.800 110.716 108.800 0.194 0.000 2.270 45 G HA2 0.420 4.380 3.960 0.000 0.000 0.268 45 G HA3 0.420 4.380 3.960 0.000 0.000 0.268 45 G C -1.831 173.097 174.900 0.048 0.000 1.312 45 G CA -0.429 44.743 45.100 0.121 0.000 1.050 45 G HN 0.969 nan 8.290 nan 0.000 0.474 46 A N 0.599 123.439 122.820 0.034 0.000 2.306 46 A HA 0.873 5.193 4.320 0.000 0.000 0.314 46 A C -1.637 175.950 177.584 0.005 0.000 1.164 46 A CA -0.848 51.197 52.037 0.013 0.000 0.822 46 A CB 0.242 19.250 19.000 0.014 0.000 1.130 46 A HN 0.607 nan 8.150 nan 0.000 0.496 47 P HA 0.167 nan 4.420 nan 0.000 0.272 47 P C -0.264 177.033 177.300 -0.004 0.000 1.243 47 P CA 0.294 63.388 63.100 -0.009 0.000 0.803 47 P CB 0.343 32.034 31.700 -0.014 0.000 0.974 48 T N 1.074 115.625 114.554 -0.005 0.000 2.792 48 T HA 0.532 4.882 4.350 0.000 0.000 0.280 48 T C -0.021 174.675 174.700 -0.006 0.000 0.990 48 T CA -0.319 61.779 62.100 -0.004 0.000 0.960 48 T CB 0.211 69.076 68.868 -0.004 0.000 0.939 48 T HN 0.156 nan 8.240 nan 0.000 0.439 49 I N 2.932 123.499 120.570 -0.005 0.000 2.330 49 I HA 0.468 4.638 4.170 0.000 0.000 0.289 49 I C 0.424 176.537 176.117 -0.006 0.000 1.001 49 I CA -0.366 60.930 61.300 -0.006 0.000 1.193 49 I CB 1.545 39.541 38.000 -0.006 0.000 1.345 49 I HN 0.501 nan 8.210 nan 0.000 0.461 50 T N 4.617 119.166 114.554 -0.008 0.000 2.883 50 T HA 0.423 4.773 4.350 0.000 0.000 0.296 50 T C 0.122 174.816 174.700 -0.009 0.000 1.117 50 T CA -0.516 61.580 62.100 -0.008 0.000 1.006 50 T CB 1.818 70.681 68.868 -0.009 0.000 1.191 50 T HN 0.622 nan 8.240 nan 0.000 0.508 51 K N 0.873 121.267 120.400 -0.009 0.000 2.447 51 K HA 0.199 4.519 4.320 0.000 0.000 0.205 51 K C -0.746 175.847 176.600 -0.011 0.000 1.059 51 K CA -0.210 56.071 56.287 -0.010 0.000 1.065 51 K CB 0.590 33.084 32.500 -0.010 0.000 0.885 51 K HN 0.423 nan 8.250 nan 0.000 0.545 52 D N 0.391 120.783 120.400 -0.012 0.000 2.352 52 D HA 0.086 4.726 4.640 0.000 0.000 0.245 52 D C 1.264 177.555 176.300 -0.015 0.000 1.224 52 D CA -0.004 53.987 54.000 -0.014 0.000 0.879 52 D CB 1.129 41.920 40.800 -0.015 0.000 1.057 52 D HN 0.217 nan 8.370 nan 0.000 0.491 53 G N 2.548 111.339 108.800 -0.015 0.000 2.475 53 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 53 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 53 G C 1.495 176.384 174.900 -0.019 0.000 1.125 53 G CA 1.072 46.163 45.100 -0.016 0.000 0.755 53 G HN 0.493 nan 8.290 nan 0.000 0.565 54 V N 0.986 120.887 119.914 -0.023 0.000 2.295 54 V HA -0.200 3.920 4.120 0.000 0.000 0.246 54 V C 2.978 179.057 176.094 -0.025 0.000 1.049 54 V CA 2.286 64.569 62.300 -0.028 0.000 1.024 54 V CB -0.994 30.809 31.823 -0.032 0.000 0.648 54 V HN 0.343 nan 8.190 nan 0.000 0.447 55 S N 0.037 115.724 115.700 -0.021 0.000 2.368 55 S HA -0.125 4.345 4.470 0.000 0.000 0.224 55 S C 2.065 176.654 174.600 -0.018 0.000 1.029 55 S CA 1.377 59.566 58.200 -0.019 0.000 0.988 55 S CB -0.273 62.917 63.200 -0.016 0.000 0.838 55 S HN 0.366 nan 8.310 nan 0.000 0.462 56 V N 2.040 121.944 119.914 -0.016 0.000 2.343 56 V HA -0.217 3.903 4.120 0.000 0.000 0.247 56 V C 2.646 178.730 176.094 -0.016 0.000 1.051 56 V CA 1.764 64.056 62.300 -0.015 0.000 1.036 56 V CB -1.106 30.710 31.823 -0.013 0.000 0.654 56 V HN 0.548 nan 8.190 nan 0.000 0.451 57 A N -0.393 122.417 122.820 -0.018 0.000 1.930 57 A HA -0.237 4.083 4.320 0.000 0.000 0.217 57 A C 2.399 179.970 177.584 -0.021 0.000 1.175 57 A CA 1.809 53.835 52.037 -0.019 0.000 0.627 57 A CB -0.600 18.387 19.000 -0.022 0.000 0.815 57 A HN 0.458 nan 8.150 nan 0.000 0.443 58 R N -0.394 120.092 120.500 -0.024 0.000 2.117 58 R HA -0.173 4.167 4.340 0.000 0.000 0.243 58 R C 1.649 177.935 176.300 -0.023 0.000 1.143 58 R CA 1.754 57.838 56.100 -0.026 0.000 0.968 58 R CB -0.121 30.163 30.300 -0.028 0.000 0.863 58 R HN 0.526 nan 8.270 nan 0.000 0.444 59 E N 0.263 120.451 120.200 -0.019 0.000 2.122 59 E HA -0.019 4.331 4.350 0.000 0.000 0.190 59 E C 0.714 177.305 176.600 -0.015 0.000 0.977 59 E CA 0.062 56.452 56.400 -0.017 0.000 0.820 59 E CB 0.025 29.716 29.700 -0.015 0.000 0.770 59 E HN 0.216 nan 8.360 nan 0.000 0.462 60 I N 2.321 122.882 120.570 -0.015 0.000 2.821 60 I HA -0.088 4.082 4.170 0.000 0.000 0.294 60 I C 0.535 176.644 176.117 -0.013 0.000 1.210 60 I CA 1.002 62.294 61.300 -0.012 0.000 1.430 60 I CB -0.291 37.702 38.000 -0.011 0.000 1.356 60 I HN 0.103 nan 8.210 nan 0.000 0.563 61 E N 7.152 127.345 120.200 -0.012 0.000 2.558 61 E HA 0.253 4.603 4.350 0.000 0.000 0.345 61 E C -1.366 175.228 176.600 -0.011 0.000 0.928 61 E CA -0.462 55.930 56.400 -0.013 0.000 0.774 61 E CB 0.867 30.558 29.700 -0.015 0.000 1.462 61 E HN 0.437 nan 8.360 nan 0.000 0.387 62 L N 2.552 123.770 121.223 -0.007 0.000 2.476 62 L HA 0.242 4.582 4.340 0.000 0.000 0.255 62 L C 1.756 178.621 176.870 -0.008 0.000 1.218 62 L CA 0.011 54.849 54.840 -0.004 0.000 0.819 62 L CB 0.419 42.480 42.059 0.005 0.000 1.119 62 L HN 0.684 nan 8.230 nan 0.000 0.485 63 E N 0.184 120.382 120.200 -0.004 0.000 2.086 63 E HA -0.144 4.206 4.350 0.000 0.000 0.190 63 E C 0.502 177.096 176.600 -0.009 0.000 0.975 63 E CA 0.123 56.518 56.400 -0.008 0.000 0.813 63 E CB 0.265 29.963 29.700 -0.004 0.000 0.768 63 E HN 0.657 nan 8.360 nan 0.000 0.457 64 D N 1.198 121.603 120.400 0.009 0.000 2.389 64 D HA -0.074 4.566 4.640 0.000 0.000 0.263 64 D C 0.755 177.050 176.300 -0.008 0.000 1.255 64 D CA 0.017 54.032 54.000 0.026 0.000 0.914 64 D CB 0.811 41.654 40.800 0.071 0.000 1.116 64 D HN 0.064 nan 8.370 nan 0.000 0.502 65 K N 3.777 124.123 120.400 -0.090 0.000 2.144 65 K HA -0.223 4.097 4.320 0.000 0.000 0.209 65 K C 1.857 178.306 176.600 -0.251 0.000 1.047 65 K CA 1.383 57.537 56.287 -0.221 0.000 0.927 65 K CB -0.530 31.738 32.500 -0.386 0.000 0.716 65 K HN 0.472 nan 8.250 nan 0.000 0.454 66 F N 1.504 121.442 119.950 -0.020 0.000 2.118 66 F HA -0.030 4.497 4.527 0.000 0.000 0.293 66 F C 2.528 178.316 175.800 -0.019 0.000 1.102 66 F CA 1.002 58.988 58.000 -0.024 0.000 1.247 66 F CB -0.631 38.353 39.000 -0.026 0.000 1.017 66 F HN 0.077 nan 8.300 nan 0.000 0.475 67 E N 0.051 120.358 120.200 0.178 0.000 2.118 67 E HA -0.274 4.076 4.350 0.000 0.000 0.195 67 E C 1.857 178.488 176.600 0.052 0.000 0.992 67 E CA 1.421 57.877 56.400 0.093 0.000 0.804 67 E CB -0.309 29.430 29.700 0.066 0.000 0.741 67 E HN 0.302 nan 8.360 nan 0.000 0.458 68 N N 0.505 119.222 118.700 0.028 0.000 2.025 68 N HA -0.182 4.558 4.740 0.000 0.000 0.194 68 N C 1.738 177.250 175.510 0.004 0.000 1.044 68 N CA 1.559 54.610 53.050 0.002 0.000 0.851 68 N CB -0.056 38.417 38.487 -0.023 0.000 1.036 68 N HN 0.040 nan 8.380 nan 0.000 0.422 69 M N -0.365 119.236 119.600 0.002 0.000 2.103 69 M HA -0.195 4.285 4.480 0.000 0.000 0.255 69 M C 2.193 178.506 176.300 0.022 0.000 1.074 69 M CA 2.062 57.366 55.300 0.007 0.000 1.090 69 M CB -0.970 31.643 32.600 0.022 0.000 1.325 69 M HN 0.396 nan 8.290 nan 0.000 0.403 70 G N -0.392 108.432 108.800 0.040 0.000 2.491 70 G HA2 -0.193 3.767 3.960 0.000 0.000 0.218 70 G HA3 -0.193 3.767 3.960 0.000 0.000 0.218 70 G C 1.594 176.505 174.900 0.019 0.000 1.180 70 G CA 1.232 46.352 45.100 0.033 0.000 0.774 70 G HN 0.589 nan 8.290 nan 0.000 0.562 71 A N -0.431 122.398 122.820 0.015 0.000 1.898 71 A HA -0.020 4.300 4.320 0.000 0.000 0.216 71 A C 2.372 179.955 177.584 -0.001 0.000 1.181 71 A CA 1.840 53.880 52.037 0.006 0.000 0.620 71 A CB -0.336 18.666 19.000 0.004 0.000 0.819 71 A HN 0.311 nan 8.150 nan 0.000 0.442 72 Q N -0.823 118.976 119.800 -0.003 0.000 2.291 72 Q HA -0.059 4.281 4.340 0.000 0.000 0.206 72 Q C 2.025 178.020 176.000 -0.008 0.000 0.976 72 Q CA 1.164 56.961 55.803 -0.009 0.000 0.875 72 Q CB -0.353 28.377 28.738 -0.013 0.000 0.927 72 Q HN 0.765 nan 8.270 nan 0.000 0.450 73 M N -0.297 119.303 119.600 -0.000 0.000 2.156 73 M HA -0.119 4.361 4.480 0.000 0.000 0.264 73 M C 2.198 178.498 176.300 0.000 0.000 1.067 73 M CA 1.167 56.469 55.300 0.002 0.000 1.131 73 M CB -0.151 32.455 32.600 0.011 0.000 1.368 73 M HN 0.146 nan 8.290 nan 0.000 0.416 74 V N -1.625 118.290 119.914 0.002 0.000 2.667 74 V HA -0.159 3.961 4.120 0.000 0.000 0.252 74 V C 1.852 177.937 176.094 -0.014 0.000 1.065 74 V CA 1.532 63.833 62.300 0.002 0.000 1.083 74 V CB -0.717 31.110 31.823 0.007 0.000 0.692 74 V HN 0.381 nan 8.190 nan 0.000 0.468 75 K N 0.448 120.836 120.400 -0.019 0.000 2.057 75 K HA -0.157 4.163 4.320 0.000 0.000 0.206 75 K C 2.306 178.877 176.600 -0.048 0.000 1.050 75 K CA 1.742 58.010 56.287 -0.032 0.000 0.935 75 K CB -0.260 32.224 32.500 -0.027 0.000 0.715 75 K HN 0.729 nan 8.250 nan 0.000 0.439 76 E N 1.023 121.198 120.200 -0.041 0.000 2.049 76 E HA -0.220 4.130 4.350 0.000 0.000 0.198 76 E C 2.001 178.547 176.600 -0.089 0.000 1.007 76 E CA 2.047 58.416 56.400 -0.053 0.000 0.809 76 E CB 0.005 29.686 29.700 -0.032 0.000 0.749 76 E HN 0.206 nan 8.360 nan 0.000 0.450 77 V N -0.868 118.999 119.914 -0.077 0.000 2.302 77 V HA 0.002 4.122 4.120 0.000 0.000 0.243 77 V C 2.463 178.427 176.094 -0.217 0.000 1.036 77 V CA 1.722 63.942 62.300 -0.133 0.000 1.020 77 V CB -1.098 30.724 31.823 -0.002 0.000 0.657 77 V HN 0.322 nan 8.190 nan 0.000 0.453 78 A N 1.615 124.371 122.820 -0.105 0.000 1.997 78 A HA -0.234 4.086 4.320 0.000 0.000 0.221 78 A C 2.550 180.049 177.584 -0.142 0.000 1.172 78 A CA 3.078 55.060 52.037 -0.091 0.000 0.645 78 A CB -1.180 17.796 19.000 -0.040 0.000 0.813 78 A HN 1.101 nan 8.150 nan 0.000 0.454 79 S N -0.516 115.094 115.700 -0.151 0.000 2.436 79 S HA -0.078 4.392 4.470 0.000 0.000 0.228 79 S C 1.710 176.178 174.600 -0.220 0.000 1.014 79 S CA 1.076 59.190 58.200 -0.143 0.000 0.950 79 S CB -0.286 62.852 63.200 -0.104 0.000 0.784 79 S HN 0.624 nan 8.310 nan 0.000 0.504 80 K N 1.596 121.776 120.400 -0.367 0.000 2.211 80 K HA 0.022 4.342 4.320 0.000 0.000 0.204 80 K C 2.361 178.617 176.600 -0.572 0.000 1.047 80 K CA 1.209 57.165 56.287 -0.552 0.000 0.935 80 K CB -0.455 31.469 32.500 -0.960 0.000 0.728 80 K HN 0.541 nan 8.250 nan 0.000 0.452 81 A N 1.281 123.809 122.820 -0.486 0.000 1.929 81 A HA -0.150 4.170 4.320 0.000 0.000 0.216 81 A C 1.878 179.435 177.584 -0.045 0.000 1.176 81 A CA 1.523 53.503 52.037 -0.095 0.000 0.628 81 A CB -0.456 18.578 19.000 0.057 0.000 0.816 81 A HN 0.263 nan 8.150 nan 0.000 0.444 82 N N 0.137 118.782 118.700 -0.091 0.000 2.244 82 N HA -0.115 4.625 4.740 0.000 0.000 0.183 82 N C 1.005 176.461 175.510 -0.091 0.000 1.016 82 N CA 1.387 54.389 53.050 -0.080 0.000 0.866 82 N CB -0.117 38.319 38.487 -0.085 0.000 0.980 82 N HN 0.341 nan 8.380 nan 0.000 0.430 83 D N -0.797 119.548 120.400 -0.091 0.000 2.312 83 D HA 0.019 4.659 4.640 0.000 0.000 0.211 83 D C 1.319 177.603 176.300 -0.027 0.000 0.964 83 D CA 0.569 54.527 54.000 -0.069 0.000 0.877 83 D CB 0.095 40.852 40.800 -0.071 0.000 0.924 83 D HN 0.404 nan 8.370 nan 0.000 0.515 84 A N 0.249 123.069 122.820 0.001 0.000 1.956 84 A HA 0.374 4.694 4.320 0.000 0.000 0.212 84 A C 1.873 179.490 177.584 0.055 0.000 1.188 84 A CA 0.993 53.064 52.037 0.056 0.000 0.675 84 A CB 0.309 19.389 19.000 0.134 0.000 0.845 84 A HN 0.147 nan 8.150 nan 0.000 0.455 85 A N -1.934 120.907 122.820 0.034 0.000 2.545 85 A HA 0.477 4.797 4.320 0.000 0.000 0.263 85 A C 1.466 179.043 177.584 -0.011 0.000 1.202 85 A CA 0.935 52.994 52.037 0.036 0.000 0.959 85 A CB -0.509 18.517 19.000 0.044 0.000 1.124 85 A HN 1.786 nan 8.150 nan 0.000 0.543 86 G N -0.385 108.354 108.800 -0.102 0.000 2.168 86 G HA2 -0.190 3.770 3.960 0.000 0.000 0.257 86 G HA3 -0.190 3.770 3.960 0.000 0.000 0.257 86 G C -0.139 174.675 174.900 -0.142 0.000 0.997 86 G CA 0.983 45.929 45.100 -0.256 0.000 0.708 86 G HN 1.056 nan 8.290 nan 0.000 0.520 87 D N -3.155 117.201 120.400 -0.073 0.000 2.807 87 D HA 0.566 5.206 4.640 0.000 0.000 0.279 87 D C 0.478 176.767 176.300 -0.019 0.000 1.247 87 D CA 1.335 55.308 54.000 -0.044 0.000 0.749 87 D CB -0.108 40.675 40.800 -0.028 0.000 1.264 87 D HN 1.549 nan 8.370 nan 0.000 0.421 88 G N 0.122 108.914 108.800 -0.013 0.000 2.270 88 G HA2 -0.182 3.778 3.960 0.000 0.000 0.224 88 G HA3 -0.182 3.778 3.960 0.000 0.000 0.224 88 G C 0.656 175.556 174.900 0.000 0.000 1.079 88 G CA 0.591 45.692 45.100 0.002 0.000 0.807 88 G HN 0.505 nan 8.290 nan 0.000 0.492 89 T N 0.083 114.627 114.554 -0.016 0.000 2.904 89 T HA 0.014 4.364 4.350 0.000 0.000 0.243 89 T C 2.695 177.388 174.700 -0.012 0.000 1.024 89 T CA 1.974 64.060 62.100 -0.023 0.000 1.158 89 T CB -0.311 68.534 68.868 -0.038 0.000 0.867 89 T HN 0.424 nan 8.240 nan 0.000 0.429 90 T N 2.437 116.984 114.554 -0.012 0.000 2.685 90 T HA -0.171 4.179 4.350 0.000 0.000 0.268 90 T C 2.120 176.820 174.700 0.000 0.000 1.034 90 T CA 1.919 64.015 62.100 -0.007 0.000 1.149 90 T CB -0.930 67.933 68.868 -0.008 0.000 0.860 90 T HN 0.421 nan 8.240 nan 0.000 0.449 91 T N 2.479 117.035 114.554 0.004 0.000 2.569 91 T HA -0.089 4.261 4.350 0.000 0.000 0.263 91 T C 2.477 177.188 174.700 0.019 0.000 1.074 91 T CA 1.340 63.447 62.100 0.011 0.000 1.176 91 T CB -0.966 67.911 68.868 0.014 0.000 0.863 91 T HN 0.470 nan 8.240 nan 0.000 0.410 92 A N 1.339 124.176 122.820 0.027 0.000 2.009 92 A HA -0.231 4.089 4.320 0.000 0.000 0.222 92 A C 2.521 180.122 177.584 0.029 0.000 1.175 92 A CA 2.465 54.526 52.037 0.042 0.000 0.651 92 A CB -1.496 17.539 19.000 0.058 0.000 0.815 92 A HN 0.550 nan 8.150 nan 0.000 0.459 93 T N -0.478 114.085 114.554 0.015 0.000 2.701 93 T HA -0.111 4.239 4.350 0.000 0.000 0.263 93 T C 2.025 176.732 174.700 0.012 0.000 1.040 93 T CA 1.977 64.083 62.100 0.010 0.000 1.147 93 T CB -0.836 68.033 68.868 0.001 0.000 0.865 93 T HN 0.793 nan 8.240 nan 0.000 0.426 94 V N 0.725 120.644 119.914 0.010 0.000 2.568 94 V HA -0.073 4.047 4.120 0.000 0.000 0.253 94 V C 2.124 178.226 176.094 0.013 0.000 1.072 94 V CA 1.476 63.782 62.300 0.010 0.000 1.084 94 V CB -1.053 30.774 31.823 0.008 0.000 0.676 94 V HN 0.446 nan 8.190 nan 0.000 0.469 95 L N 0.261 121.494 121.223 0.017 0.000 2.044 95 L HA 0.020 4.360 4.340 0.000 0.000 0.205 95 L C 3.039 179.921 176.870 0.020 0.000 1.075 95 L CA 1.665 56.517 54.840 0.020 0.000 0.747 95 L CB -0.861 41.213 42.059 0.026 0.000 0.903 95 L HN 0.445 nan 8.230 nan 0.000 0.435 96 A N -0.639 122.195 122.820 0.024 0.000 1.933 96 A HA -0.284 4.036 4.320 0.000 0.000 0.218 96 A C 2.210 179.805 177.584 0.017 0.000 1.175 96 A CA 1.811 53.862 52.037 0.024 0.000 0.628 96 A CB -0.562 18.454 19.000 0.027 0.000 0.814 96 A HN 0.514 nan 8.150 nan 0.000 0.444 97 Q N -0.407 119.401 119.800 0.014 0.000 2.050 97 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 97 Q C 2.221 178.227 176.000 0.011 0.000 0.980 97 Q CA 1.727 57.537 55.803 0.012 0.000 0.840 97 Q CB -0.382 28.362 28.738 0.009 0.000 0.898 97 Q HN 0.589 nan 8.270 nan 0.000 0.424 98 A N 1.214 124.041 122.820 0.011 0.000 1.841 98 A HA -0.225 4.095 4.320 0.000 0.000 0.216 98 A C 2.051 179.641 177.584 0.011 0.000 1.199 98 A CA 1.758 53.802 52.037 0.011 0.000 0.621 98 A CB -1.009 17.997 19.000 0.011 0.000 0.835 98 A HN 0.513 nan 8.150 nan 0.000 0.445 99 I N -0.190 120.387 120.570 0.013 0.000 2.087 99 I HA -0.336 3.834 4.170 0.000 0.000 0.240 99 I C 2.441 178.565 176.117 0.012 0.000 1.054 99 I CA 1.905 63.212 61.300 0.012 0.000 1.311 99 I CB -0.544 37.465 38.000 0.015 0.000 1.024 99 I HN 0.352 nan 8.210 nan 0.000 0.402 100 I N 0.285 120.863 120.570 0.013 0.000 2.194 100 I HA -0.314 3.856 4.170 0.000 0.000 0.246 100 I C 2.612 178.735 176.117 0.009 0.000 1.093 100 I CA 1.753 63.061 61.300 0.012 0.000 1.355 100 I CB -0.748 37.260 38.000 0.013 0.000 1.046 100 I HN 0.325 nan 8.210 nan 0.000 0.413 101 T N 0.373 114.932 114.554 0.009 0.000 2.622 101 T HA -0.174 4.176 4.350 0.000 0.000 0.266 101 T C 1.813 176.516 174.700 0.006 0.000 1.047 101 T CA 1.405 63.509 62.100 0.007 0.000 1.159 101 T CB -0.214 68.657 68.868 0.007 0.000 0.863 101 T HN 0.313 nan 8.240 nan 0.000 0.422 102 E N 0.668 120.872 120.200 0.006 0.000 2.150 102 E HA -0.035 4.315 4.350 0.000 0.000 0.193 102 E C 2.491 179.095 176.600 0.006 0.000 0.985 102 E CA 1.023 57.427 56.400 0.006 0.000 0.814 102 E CB -0.850 28.854 29.700 0.006 0.000 0.752 102 E HN 0.574 nan 8.360 nan 0.000 0.466 103 G N 1.782 110.587 108.800 0.007 0.000 2.480 103 G HA2 -0.237 3.723 3.960 0.000 0.000 0.216 103 G HA3 -0.237 3.723 3.960 0.000 0.000 0.216 103 G C 1.704 176.608 174.900 0.007 0.000 1.200 103 G CA 0.670 45.775 45.100 0.007 0.000 0.782 103 G HN 0.196 nan 8.290 nan 0.000 0.554 104 L N 0.181 121.408 121.223 0.006 0.000 2.191 104 L HA -0.039 4.301 4.340 0.000 0.000 0.212 104 L C 2.771 179.643 176.870 0.004 0.000 1.103 104 L CA 1.282 56.125 54.840 0.005 0.000 0.769 104 L CB -0.304 41.758 42.059 0.005 0.000 0.908 104 L HN 0.259 nan 8.230 nan 0.000 0.438 105 K N 0.539 120.941 120.400 0.004 0.000 2.057 105 K HA -0.132 4.188 4.320 0.000 0.000 0.206 105 K C 2.181 178.783 176.600 0.003 0.000 1.050 105 K CA 1.231 57.520 56.287 0.003 0.000 0.935 105 K CB -0.052 32.450 32.500 0.003 0.000 0.715 105 K HN 0.245 nan 8.250 nan 0.000 0.439 106 A N 0.314 123.136 122.820 0.004 0.000 1.969 106 A HA -0.069 4.251 4.320 0.000 0.000 0.218 106 A C 2.154 179.740 177.584 0.004 0.000 1.169 106 A CA 1.344 53.383 52.037 0.004 0.000 0.635 106 A CB -0.439 18.563 19.000 0.004 0.000 0.810 106 A HN 0.155 nan 8.150 nan 0.000 0.445 107 V N -0.106 119.810 119.914 0.004 0.000 2.307 107 V HA -0.229 3.891 4.120 0.000 0.000 0.245 107 V C 3.044 179.140 176.094 0.004 0.000 1.045 107 V CA 1.852 64.155 62.300 0.005 0.000 1.024 107 V CB -1.264 30.563 31.823 0.006 0.000 0.651 107 V HN 0.586 nan 8.190 nan 0.000 0.449 108 A N 0.207 123.029 122.820 0.003 0.000 1.978 108 A HA -0.095 4.225 4.320 0.000 0.000 0.220 108 A C 2.244 179.829 177.584 0.001 0.000 1.170 108 A CA 1.778 53.816 52.037 0.002 0.000 0.636 108 A CB -0.693 18.307 19.000 0.001 0.000 0.810 108 A HN 0.621 nan 8.150 nan 0.000 0.448 109 A N -1.759 121.062 122.820 0.002 0.000 2.248 109 A HA 0.353 4.673 4.320 0.000 0.000 0.210 109 A C 1.951 179.536 177.584 0.001 0.000 1.174 109 A CA 1.335 53.373 52.037 0.001 0.000 0.750 109 A CB -1.150 17.851 19.000 0.002 0.000 0.780 109 A HN 1.904 nan 8.150 nan 0.000 0.478 110 G N -1.866 106.935 108.800 0.002 0.000 2.225 110 G HA2 -0.303 3.657 3.960 0.000 0.000 0.254 110 G HA3 -0.303 3.657 3.960 0.000 0.000 0.254 110 G C 0.411 175.313 174.900 0.002 0.000 0.988 110 G CA 0.388 45.489 45.100 0.001 0.000 0.625 110 G HN 0.445 nan 8.290 nan 0.000 0.527 111 M N 0.572 120.174 119.600 0.003 0.000 2.184 111 M HA 0.162 4.642 4.480 0.000 0.000 0.296 111 M C 0.878 177.180 176.300 0.004 0.000 1.165 111 M CA -0.069 55.233 55.300 0.003 0.000 1.175 111 M CB 0.077 32.679 32.600 0.003 0.000 1.392 111 M HN 0.272 nan 8.290 nan 0.000 0.457 112 N N 1.159 119.862 118.700 0.004 0.000 2.514 112 N HA 0.175 4.915 4.740 0.000 0.000 0.277 112 N C -2.289 173.225 175.510 0.007 0.000 1.126 112 N CA -1.525 51.528 53.050 0.005 0.000 0.978 112 N CB 1.493 39.983 38.487 0.005 0.000 1.106 112 N HN 0.205 nan 8.380 nan 0.000 0.461 113 P HA 0.016 nan 4.420 nan 0.000 0.214 113 P C 1.658 178.964 177.300 0.009 0.000 1.162 113 P CA 1.124 64.230 63.100 0.010 0.000 0.871 113 P CB 0.206 31.914 31.700 0.013 0.000 0.783 114 M N -0.474 119.131 119.600 0.009 0.000 2.337 114 M HA -0.152 4.329 4.480 0.000 0.000 0.261 114 M C 1.177 177.481 176.300 0.007 0.000 1.067 114 M CA 1.583 56.888 55.300 0.009 0.000 1.074 114 M CB -1.429 31.176 32.600 0.009 0.000 1.395 114 M HN 0.044 nan 8.290 nan 0.000 0.431 115 D N -0.255 120.149 120.400 0.006 0.000 2.269 115 D HA 0.058 4.698 4.640 0.000 0.000 0.220 115 D C 2.249 178.552 176.300 0.005 0.000 0.962 115 D CA 0.546 54.549 54.000 0.005 0.000 0.884 115 D CB 0.120 40.922 40.800 0.004 0.000 1.023 115 D HN 0.295 nan 8.370 nan 0.000 0.484 116 L N 1.331 122.558 121.223 0.005 0.000 2.043 116 L HA -0.232 4.108 4.340 0.000 0.000 0.212 116 L C 2.577 179.451 176.870 0.005 0.000 1.075 116 L CA 1.303 56.146 54.840 0.005 0.000 0.752 116 L CB -0.366 41.697 42.059 0.006 0.000 0.891 116 L HN 0.032 nan 8.230 nan 0.000 0.432 117 K N 0.533 120.936 120.400 0.006 0.000 1.965 117 K HA -0.257 4.063 4.320 0.000 0.000 0.214 117 K C 2.299 178.901 176.600 0.004 0.000 1.046 117 K CA 1.694 57.985 56.287 0.006 0.000 0.944 117 K CB -0.179 32.325 32.500 0.007 0.000 0.726 117 K HN 0.036 nan 8.250 nan 0.000 0.441 118 R N -0.219 120.283 120.500 0.003 0.000 2.133 118 R HA -0.143 4.197 4.340 0.000 0.000 0.247 118 R C 2.275 178.576 176.300 0.001 0.000 1.151 118 R CA 1.806 57.907 56.100 0.001 0.000 0.971 118 R CB -0.614 29.687 30.300 0.002 0.000 0.866 118 R HN 0.512 nan 8.270 nan 0.000 0.447 119 G N 0.275 109.076 108.800 0.002 0.000 2.422 119 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 119 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 119 G C 1.392 176.293 174.900 0.002 0.000 1.146 119 G CA 0.724 45.825 45.100 0.002 0.000 0.769 119 G HN 0.274 nan 8.290 nan 0.000 0.547 120 I N 0.816 121.387 120.570 0.002 0.000 2.233 120 I HA -0.076 4.094 4.170 0.000 0.000 0.243 120 I C 2.072 178.188 176.117 -0.001 0.000 1.093 120 I CA 0.953 62.254 61.300 0.002 0.000 1.380 120 I CB -0.104 37.898 38.000 0.004 0.000 1.067 120 I HN 0.019 nan 8.210 nan 0.000 0.413 121 D N 0.810 121.208 120.400 -0.003 0.000 2.218 121 D HA -0.201 4.439 4.640 0.000 0.000 0.204 121 D C 1.985 178.280 176.300 -0.008 0.000 0.976 121 D CA 1.085 55.081 54.000 -0.007 0.000 0.853 121 D CB -0.093 40.702 40.800 -0.007 0.000 0.939 121 D HN 0.325 nan 8.370 nan 0.000 0.481 122 K N 0.829 121.226 120.400 -0.005 0.000 2.007 122 K HA -0.001 4.319 4.320 0.000 0.000 0.206 122 K C 2.078 178.676 176.600 -0.004 0.000 1.047 122 K CA 1.059 57.343 56.287 -0.004 0.000 0.937 122 K CB -0.077 32.422 32.500 -0.002 0.000 0.718 122 K HN -0.040 nan 8.250 nan 0.000 0.438 123 A N 0.693 123.511 122.820 -0.002 0.000 2.042 123 A HA -0.146 4.174 4.320 0.000 0.000 0.222 123 A C 2.141 179.723 177.584 -0.002 0.000 1.167 123 A CA 1.862 53.899 52.037 -0.001 0.000 0.649 123 A CB -0.591 18.410 19.000 0.001 0.000 0.809 123 A HN 0.220 nan 8.150 nan 0.000 0.457 124 V N -1.784 118.126 119.914 -0.006 0.000 2.331 124 V HA -0.139 3.981 4.120 0.000 0.000 0.242 124 V C 2.604 178.689 176.094 -0.014 0.000 1.034 124 V CA 2.124 64.418 62.300 -0.010 0.000 1.027 124 V CB -1.065 30.748 31.823 -0.016 0.000 0.667 124 V HN 0.539 nan 8.190 nan 0.000 0.457 125 T N 0.379 114.924 114.554 -0.016 0.000 2.714 125 T HA -0.292 4.058 4.350 0.000 0.000 0.268 125 T C 1.905 176.598 174.700 -0.011 0.000 1.036 125 T CA 2.077 64.167 62.100 -0.016 0.000 1.148 125 T CB -0.313 68.546 68.868 -0.014 0.000 0.856 125 T HN 0.565 nan 8.240 nan 0.000 0.462 126 A N 0.908 123.724 122.820 -0.007 0.000 1.854 126 A HA 0.299 4.619 4.320 0.000 0.000 0.214 126 A C 2.655 180.238 177.584 -0.002 0.000 1.192 126 A CA 1.694 53.729 52.037 -0.003 0.000 0.611 126 A CB -1.192 17.808 19.000 -0.001 0.000 0.832 126 A HN 0.520 nan 8.150 nan 0.000 0.442 127 A N -0.493 122.326 122.820 -0.002 0.000 1.986 127 A HA -0.055 4.265 4.320 0.000 0.000 0.220 127 A C 2.173 179.756 177.584 -0.002 0.000 1.171 127 A CA 1.931 53.968 52.037 0.000 0.000 0.640 127 A CB -0.851 18.150 19.000 0.001 0.000 0.811 127 A HN 0.402 nan 8.150 nan 0.000 0.451 128 V N -0.116 119.793 119.914 -0.008 0.000 2.453 128 V HA -0.153 3.968 4.120 0.000 0.000 0.247 128 V C 2.492 178.582 176.094 -0.006 0.000 1.048 128 V CA 1.938 64.231 62.300 -0.011 0.000 1.049 128 V CB -0.543 31.268 31.823 -0.021 0.000 0.672 128 V HN 0.514 nan 8.190 nan 0.000 0.457 129 E N -0.007 120.190 120.200 -0.005 0.000 2.112 129 E HA -0.185 4.165 4.350 0.000 0.000 0.190 129 E C 2.145 178.747 176.600 0.002 0.000 0.979 129 E CA 0.829 57.228 56.400 -0.002 0.000 0.814 129 E CB -0.138 29.561 29.700 -0.002 0.000 0.762 129 E HN 0.583 nan 8.360 nan 0.000 0.460 130 E N 0.463 120.666 120.200 0.003 0.000 2.409 130 E HA -0.111 4.239 4.350 0.000 0.000 0.198 130 E C 1.634 178.239 176.600 0.009 0.000 1.024 130 E CA 0.236 56.641 56.400 0.007 0.000 0.861 130 E CB -0.015 29.690 29.700 0.008 0.000 0.788 130 E HN 0.055 nan 8.360 nan 0.000 0.521 131 L N -0.194 121.033 121.223 0.007 0.000 2.357 131 L HA 0.153 4.493 4.340 0.000 0.000 0.211 131 L C 1.620 178.495 176.870 0.009 0.000 1.075 131 L CA 1.051 55.896 54.840 0.009 0.000 0.830 131 L CB 0.061 42.123 42.059 0.006 0.000 0.996 131 L HN -0.095 nan 8.230 nan 0.000 0.467 132 K N -0.566 119.837 120.400 0.006 0.000 2.211 132 K HA -0.029 4.291 4.320 0.000 0.000 0.203 132 K C 1.964 178.570 176.600 0.009 0.000 1.050 132 K CA 1.063 57.354 56.287 0.007 0.000 0.945 132 K CB -0.144 32.358 32.500 0.004 0.000 0.732 132 K HN 0.381 nan 8.250 nan 0.000 0.451 133 A N 1.235 124.060 122.820 0.009 0.000 1.930 133 A HA -0.053 4.267 4.320 0.000 0.000 0.215 133 A C 1.978 179.570 177.584 0.014 0.000 1.176 133 A CA 0.744 52.788 52.037 0.011 0.000 0.632 133 A CB -0.358 18.648 19.000 0.010 0.000 0.819 133 A HN 0.240 nan 8.150 nan 0.000 0.445 134 L N -0.097 121.135 121.223 0.016 0.000 2.376 134 L HA 0.021 4.361 4.340 0.000 0.000 0.219 134 L C 1.227 178.108 176.870 0.019 0.000 1.133 134 L CA 0.389 55.241 54.840 0.020 0.000 0.816 134 L CB -0.050 42.022 42.059 0.023 0.000 0.933 134 L HN 0.356 nan 8.230 nan 0.000 0.449 135 S N 0.106 115.815 115.700 0.016 0.000 2.481 135 S HA 0.106 4.576 4.470 0.000 0.000 0.282 135 S C -0.061 174.548 174.600 0.014 0.000 1.243 135 S CA -0.582 57.626 58.200 0.015 0.000 1.078 135 S CB 0.356 63.563 63.200 0.012 0.000 0.916 135 S HN 0.064 nan 8.310 nan 0.000 0.495 136 V N 9.329 129.251 119.914 0.015 0.000 2.455 136 V HA 0.255 4.375 4.120 0.000 0.000 0.273 136 V C -1.708 174.393 176.094 0.012 0.000 1.045 136 V CA -1.583 60.726 62.300 0.014 0.000 0.976 136 V CB 0.525 32.357 31.823 0.015 0.000 0.993 136 V HN 0.762 nan 8.190 nan 0.000 0.475 137 P HA 0.081 nan 4.420 nan 0.000 0.272 137 P C -0.416 176.889 177.300 0.009 0.000 1.243 137 P CA -0.131 62.975 63.100 0.010 0.000 0.803 137 P CB 0.336 32.041 31.700 0.009 0.000 0.974 138 C N 0.698 120.003 119.300 0.009 0.000 3.212 138 C HA 0.401 4.861 4.460 0.000 0.000 0.367 138 C C 0.783 175.777 174.990 0.007 0.000 0.979 138 C CA 0.062 59.085 59.018 0.008 0.000 1.283 138 C CB -1.225 26.520 27.740 0.009 0.000 1.644 138 C HN 0.531 nan 8.230 nan 0.000 0.575 139 S N 1.341 117.045 115.700 0.006 0.000 2.741 139 S HA 0.150 4.620 4.470 0.000 0.000 0.245 139 S C 0.219 174.821 174.600 0.004 0.000 1.083 139 S CA 0.204 58.407 58.200 0.005 0.000 0.873 139 S CB 0.064 63.267 63.200 0.005 0.000 0.814 139 S HN 0.943 nan 8.310 nan 0.000 0.476 140 D N 2.545 122.947 120.400 0.004 0.000 2.425 140 D HA 0.045 4.685 4.640 0.000 0.000 0.247 140 D C 0.942 177.244 176.300 0.002 0.000 1.147 140 D CA 0.233 54.234 54.000 0.003 0.000 0.879 140 D CB 1.068 41.870 40.800 0.003 0.000 1.179 140 D HN 0.228 nan 8.370 nan 0.000 0.456 141 S N 1.656 117.357 115.700 0.001 0.000 2.559 141 S HA -0.263 4.207 4.470 0.000 0.000 0.250 141 S C 1.409 176.009 174.600 0.000 0.000 0.977 141 S CA 0.875 59.075 58.200 -0.000 0.000 0.958 141 S CB -0.356 62.843 63.200 -0.001 0.000 0.751 141 S HN 0.639 nan 8.310 nan 0.000 0.534 142 K N 0.796 121.196 120.400 0.001 0.000 2.243 142 K HA 0.202 4.522 4.320 0.000 0.000 0.201 142 K C 2.095 178.696 176.600 0.002 0.000 1.051 142 K CA 0.817 57.105 56.287 0.001 0.000 0.970 142 K CB -0.387 32.115 32.500 0.002 0.000 0.755 142 K HN 0.454 nan 8.250 nan 0.000 0.465 143 A N 1.114 123.936 122.820 0.002 0.000 1.911 143 A HA 0.060 4.380 4.320 0.000 0.000 0.212 143 A C 1.964 179.550 177.584 0.003 0.000 1.189 143 A CA 0.449 52.487 52.037 0.003 0.000 0.639 143 A CB -0.363 18.640 19.000 0.005 0.000 0.839 143 A HN 0.232 nan 8.150 nan 0.000 0.449 144 I N 0.320 120.891 120.570 0.002 0.000 2.091 144 I HA -0.359 3.811 4.170 0.000 0.000 0.239 144 I C 2.912 179.029 176.117 0.000 0.000 1.061 144 I CA 1.439 62.739 61.300 0.001 0.000 1.317 144 I CB -0.375 37.625 38.000 -0.001 0.000 1.031 144 I HN 0.350 nan 8.210 nan 0.000 0.401 145 A N -0.314 122.506 122.820 -0.001 0.000 2.131 145 A HA -0.290 4.030 4.320 0.000 0.000 0.220 145 A C 2.151 179.735 177.584 -0.000 0.000 1.158 145 A CA 2.132 54.168 52.037 -0.001 0.000 0.665 145 A CB -0.556 18.443 19.000 -0.001 0.000 0.795 145 A HN 0.560 nan 8.150 nan 0.000 0.460 146 Q N -0.884 118.916 119.800 0.001 0.000 2.226 146 Q HA 0.029 4.369 4.340 0.000 0.000 0.199 146 Q C 1.741 177.742 176.000 0.001 0.000 0.945 146 Q CA 1.493 57.296 55.803 0.001 0.000 0.861 146 Q CB -0.169 28.570 28.738 0.001 0.000 0.953 146 Q HN 0.280 nan 8.270 nan 0.000 0.490 147 V N 0.334 120.249 119.914 0.003 0.000 2.307 147 V HA -0.114 4.006 4.120 0.000 0.000 0.245 147 V C 2.229 178.326 176.094 0.005 0.000 1.045 147 V CA 1.842 64.144 62.300 0.004 0.000 1.024 147 V CB -1.245 30.582 31.823 0.007 0.000 0.651 147 V HN 0.598 nan 8.190 nan 0.000 0.449 148 G N -0.500 108.303 108.800 0.004 0.000 2.450 148 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 148 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 148 G C 1.675 176.576 174.900 0.003 0.000 1.130 148 G CA 1.667 46.770 45.100 0.004 0.000 0.760 148 G HN 0.472 nan 8.290 nan 0.000 0.557 149 T N 1.266 115.821 114.554 0.001 0.000 2.668 149 T HA -0.022 4.328 4.350 0.000 0.000 0.262 149 T C 2.407 177.106 174.700 -0.001 0.000 1.045 149 T CA 0.973 63.073 62.100 -0.001 0.000 1.152 149 T CB -0.198 68.668 68.868 -0.002 0.000 0.864 149 T HN 0.256 nan 8.240 nan 0.000 0.419 150 I N 1.230 121.799 120.570 -0.002 0.000 2.315 150 I HA -0.121 4.049 4.170 0.000 0.000 0.251 150 I C 1.371 177.486 176.117 -0.003 0.000 1.125 150 I CA 0.858 62.155 61.300 -0.005 0.000 1.392 150 I CB -0.317 37.679 38.000 -0.005 0.000 1.065 150 I HN 0.064 nan 8.210 nan 0.000 0.424 151 S N 1.276 116.977 115.700 0.002 0.000 3.324 151 S HA 0.496 4.966 4.470 0.000 0.000 0.229 151 S C 0.462 175.065 174.600 0.006 0.000 1.417 151 S CA 0.271 58.474 58.200 0.006 0.000 1.211 151 S CB -0.115 63.093 63.200 0.014 0.000 1.157 151 S HN 0.476 nan 8.310 nan 0.000 0.491 152 A N 1.629 124.450 122.820 0.001 0.000 2.297 152 A HA 0.371 4.691 4.320 0.000 0.000 0.230 152 A C 0.337 177.919 177.584 -0.003 0.000 2.091 152 A CA -0.866 51.172 52.037 0.001 0.000 1.861 152 A CB -0.972 18.029 19.000 0.003 0.000 0.755 152 A HN 0.352 nan 8.150 nan 0.000 0.905 153 N N 0.672 119.368 118.700 -0.006 0.000 2.666 153 N HA -0.216 4.524 4.740 0.000 0.000 0.248 153 N C 0.395 175.900 175.510 -0.009 0.000 1.118 153 N CA 1.721 54.765 53.050 -0.009 0.000 0.722 153 N CB -1.033 37.449 38.487 -0.009 0.000 1.050 153 N HN 1.225 nan 8.380 nan 0.000 0.550 154 S N -1.746 113.949 115.700 -0.008 0.000 3.909 154 S HA -0.189 4.281 4.470 0.000 0.000 0.326 154 S C -0.481 174.116 174.600 -0.006 0.000 1.083 154 S CA 0.558 58.753 58.200 -0.007 0.000 0.939 154 S CB -0.820 62.375 63.200 -0.010 0.000 0.886 154 S HN 0.590 nan 8.310 nan 0.000 0.496 155 D N 1.428 121.825 120.400 -0.004 0.000 2.479 155 D HA 0.196 4.836 4.640 0.000 0.000 0.218 155 D C 1.153 177.452 176.300 -0.003 0.000 1.131 155 D CA -0.358 53.640 54.000 -0.004 0.000 0.916 155 D CB 0.411 41.209 40.800 -0.003 0.000 1.022 155 D HN 0.464 nan 8.370 nan 0.000 0.515 156 E N 1.211 121.409 120.200 -0.003 0.000 2.393 156 E HA -0.134 4.216 4.350 0.000 0.000 0.201 156 E C 1.117 177.716 176.600 -0.003 0.000 1.025 156 E CA 0.873 57.271 56.400 -0.003 0.000 0.856 156 E CB 0.371 30.069 29.700 -0.003 0.000 0.771 156 E HN 0.499 nan 8.360 nan 0.000 0.526 157 T N 0.421 114.973 114.554 -0.003 0.000 2.732 157 T HA -0.105 4.245 4.350 0.000 0.000 0.261 157 T C 2.161 176.859 174.700 -0.003 0.000 1.040 157 T CA 0.975 63.074 62.100 -0.003 0.000 1.145 157 T CB -0.249 68.617 68.868 -0.003 0.000 0.866 157 T HN -0.008 nan 8.240 nan 0.000 0.427 158 V N 1.800 121.712 119.914 -0.003 0.000 2.231 158 V HA -0.200 3.920 4.120 0.000 0.000 0.248 158 V C 2.907 178.999 176.094 -0.003 0.000 1.054 158 V CA 2.182 64.480 62.300 -0.003 0.000 1.015 158 V CB -1.572 30.250 31.823 -0.001 0.000 0.638 158 V HN 0.627 nan 8.190 nan 0.000 0.444 159 G N -0.504 108.294 108.800 -0.002 0.000 2.513 159 G HA2 -0.390 3.570 3.960 0.000 0.000 0.219 159 G HA3 -0.390 3.570 3.960 0.000 0.000 0.219 159 G C 1.645 176.543 174.900 -0.003 0.000 1.160 159 G CA 1.396 46.494 45.100 -0.002 0.000 0.767 159 G HN 0.523 nan 8.290 nan 0.000 0.571 160 K N -0.065 120.333 120.400 -0.003 0.000 2.032 160 K HA 0.024 4.344 4.320 0.000 0.000 0.209 160 K C 2.529 179.126 176.600 -0.005 0.000 1.048 160 K CA 1.046 57.331 56.287 -0.004 0.000 0.927 160 K CB -0.338 32.160 32.500 -0.003 0.000 0.712 160 K HN 0.344 nan 8.250 nan 0.000 0.441 161 L N 1.113 122.333 121.223 -0.006 0.000 2.013 161 L HA -0.247 4.093 4.340 0.000 0.000 0.212 161 L C 2.426 179.291 176.870 -0.010 0.000 1.073 161 L CA 1.450 56.285 54.840 -0.008 0.000 0.753 161 L CB -0.283 41.772 42.059 -0.008 0.000 0.890 161 L HN 0.329 nan 8.230 nan 0.000 0.432 162 I N -0.627 119.937 120.570 -0.010 0.000 2.127 162 I HA -0.346 3.824 4.170 0.000 0.000 0.241 162 I C 2.783 178.893 176.117 -0.012 0.000 1.075 162 I CA 1.303 62.595 61.300 -0.014 0.000 1.334 162 I CB -0.589 37.404 38.000 -0.012 0.000 1.040 162 I HN 0.296 nan 8.210 nan 0.000 0.405 163 A N 0.735 123.549 122.820 -0.009 0.000 1.873 163 A HA -0.283 4.037 4.320 0.000 0.000 0.218 163 A C 2.173 179.753 177.584 -0.007 0.000 1.193 163 A CA 2.144 54.177 52.037 -0.007 0.000 0.629 163 A CB -0.868 18.129 19.000 -0.005 0.000 0.826 163 A HN 0.505 nan 8.150 nan 0.000 0.447 164 E N -0.393 119.803 120.200 -0.007 0.000 2.171 164 E HA -0.169 4.181 4.350 0.000 0.000 0.197 164 E C 2.231 178.826 176.600 -0.009 0.000 0.997 164 E CA 0.962 57.358 56.400 -0.007 0.000 0.810 164 E CB -0.305 29.391 29.700 -0.007 0.000 0.738 164 E HN 0.666 nan 8.360 nan 0.000 0.467 165 A N 1.305 124.118 122.820 -0.011 0.000 1.840 165 A HA -0.122 4.198 4.320 0.000 0.000 0.214 165 A C 2.178 179.754 177.584 -0.013 0.000 1.198 165 A CA 1.023 53.052 52.037 -0.013 0.000 0.608 165 A CB -0.439 18.550 19.000 -0.018 0.000 0.839 165 A HN 0.094 nan 8.150 nan 0.000 0.443 166 M N -0.383 119.209 119.600 -0.014 0.000 2.260 166 M HA -0.213 4.267 4.480 0.000 0.000 0.261 166 M C 1.741 178.035 176.300 -0.009 0.000 1.066 166 M CA 2.028 57.321 55.300 -0.012 0.000 1.082 166 M CB -0.646 31.947 32.600 -0.011 0.000 1.388 166 M HN 0.590 nan 8.290 nan 0.000 0.419 167 D N 0.472 120.867 120.400 -0.008 0.000 2.178 167 D HA -0.112 4.528 4.640 0.000 0.000 0.202 167 D C 1.814 178.111 176.300 -0.006 0.000 0.974 167 D CA 1.227 55.224 54.000 -0.006 0.000 0.841 167 D CB 0.176 40.973 40.800 -0.005 0.000 0.953 167 D HN 0.234 nan 8.370 nan 0.000 0.478 168 K N -0.649 119.747 120.400 -0.007 0.000 2.186 168 K HA 0.016 4.336 4.320 0.000 0.000 0.202 168 K C 1.588 178.184 176.600 -0.007 0.000 1.052 168 K CA 1.100 57.383 56.287 -0.007 0.000 0.965 168 K CB 0.631 33.126 32.500 -0.008 0.000 0.746 168 K HN 0.211 nan 8.250 nan 0.000 0.457 169 V N -3.436 116.473 119.914 -0.008 0.000 3.477 169 V HA 0.393 4.513 4.120 0.000 0.000 0.297 169 V C 0.457 176.547 176.094 -0.007 0.000 1.433 169 V CA -0.076 62.219 62.300 -0.008 0.000 1.052 169 V CB 0.068 31.884 31.823 -0.011 0.000 0.895 169 V HN 0.283 nan 8.190 nan 0.000 0.438 170 G N 1.288 110.084 108.800 -0.007 0.000 2.699 170 G HA2 -0.172 3.788 3.960 0.000 0.000 0.686 170 G HA3 -0.172 3.788 3.960 0.000 0.000 0.686 170 G C 0.018 174.914 174.900 -0.007 0.000 1.301 170 G CA -0.007 45.089 45.100 -0.005 0.000 0.816 170 G HN 0.276 nan 8.290 nan 0.000 0.595 171 K N 0.058 120.455 120.400 -0.005 0.000 2.209 171 K HA -0.066 4.254 4.320 0.000 0.000 0.204 171 K C 1.666 178.262 176.600 -0.006 0.000 1.048 171 K CA 1.660 57.944 56.287 -0.005 0.000 0.940 171 K CB 0.018 32.517 32.500 -0.001 0.000 0.729 171 K HN 0.500 nan 8.250 nan 0.000 0.451 172 E N 0.376 120.574 120.200 -0.004 0.000 2.479 172 E HA 0.050 4.400 4.350 0.000 0.000 0.193 172 E C 1.037 177.634 176.600 -0.006 0.000 1.049 172 E CA 0.039 56.437 56.400 -0.002 0.000 0.870 172 E CB 0.192 29.893 29.700 0.002 0.000 0.944 172 E HN 0.281 nan 8.360 nan 0.000 0.492 173 G N 1.115 109.910 108.800 -0.009 0.000 2.527 173 G HA2 0.218 4.178 3.960 0.000 0.000 0.279 173 G HA3 0.218 4.178 3.960 0.000 0.000 0.279 173 G C 0.011 174.900 174.900 -0.018 0.000 1.374 173 G CA -0.294 44.799 45.100 -0.011 0.000 1.053 173 G HN 0.029 nan 8.290 nan 0.000 0.539 174 V N -0.081 119.820 119.914 -0.020 0.000 2.407 174 V HA 0.479 4.599 4.120 0.000 0.000 0.291 174 V C -0.262 175.811 176.094 -0.035 0.000 1.018 174 V CA -0.522 61.761 62.300 -0.030 0.000 0.842 174 V CB 1.151 32.960 31.823 -0.024 0.000 0.996 174 V HN 0.508 nan 8.190 nan 0.000 0.426 175 I N 3.530 124.070 120.570 -0.049 0.000 2.362 175 I HA 0.554 4.724 4.170 0.000 0.000 0.289 175 I C 0.112 176.194 176.117 -0.058 0.000 0.994 175 I CA -0.098 61.172 61.300 -0.050 0.000 1.158 175 I CB 2.107 40.074 38.000 -0.055 0.000 1.315 175 I HN 0.553 nan 8.210 nan 0.000 0.451 176 T N 5.360 119.887 114.554 -0.044 0.000 2.856 176 T HA 0.556 4.906 4.350 0.000 0.000 0.283 176 T C -0.351 174.329 174.700 -0.033 0.000 1.008 176 T CA -0.518 61.558 62.100 -0.041 0.000 0.997 176 T CB 2.303 71.151 68.868 -0.033 0.000 0.992 176 T HN 0.184 nan 8.240 nan 0.000 0.454 177 V N 3.317 123.214 119.914 -0.029 0.000 2.448 177 V HA 0.495 4.615 4.120 0.000 0.000 0.295 177 V C -0.075 176.011 176.094 -0.014 0.000 1.025 177 V CA -0.700 61.588 62.300 -0.020 0.000 0.859 177 V CB 1.543 33.356 31.823 -0.018 0.000 0.988 177 V HN 0.871 nan 8.190 nan 0.000 0.431 178 E N 1.974 122.167 120.200 -0.012 0.000 2.428 178 E HA 0.453 4.803 4.350 0.000 0.000 0.259 178 E C -1.409 175.187 176.600 -0.007 0.000 0.930 178 E CA -1.080 55.314 56.400 -0.010 0.000 0.823 178 E CB 1.524 31.217 29.700 -0.012 0.000 1.403 178 E HN 0.564 nan 8.360 nan 0.000 0.415 179 D N 0.536 120.932 120.400 -0.007 0.000 2.341 179 D HA 0.244 4.884 4.640 0.000 0.000 0.245 179 D C -0.010 176.286 176.300 -0.006 0.000 1.106 179 D CA 0.101 54.098 54.000 -0.005 0.000 0.905 179 D CB 1.276 42.074 40.800 -0.005 0.000 1.202 179 D HN 0.468 nan 8.370 nan 0.000 0.426 180 G N -0.623 108.174 108.800 -0.005 0.000 2.537 180 G HA2 0.311 4.271 3.960 0.000 0.000 0.273 180 G HA3 0.311 4.271 3.960 0.000 0.000 0.273 180 G C 0.666 175.563 174.900 -0.006 0.000 1.189 180 G CA -0.493 44.603 45.100 -0.006 0.000 0.881 180 G HN 0.421 nan 8.290 nan 0.000 0.535 181 T N -2.362 112.189 114.554 -0.006 0.000 3.273 181 T HA 0.546 4.896 4.350 0.000 0.000 0.254 181 T C 0.980 175.677 174.700 -0.005 0.000 1.002 181 T CA 0.507 62.604 62.100 -0.005 0.000 0.913 181 T CB -0.345 68.520 68.868 -0.006 0.000 1.056 181 T HN 1.907 nan 8.240 nan 0.000 0.576 182 G N 0.905 109.703 108.800 -0.004 0.000 2.278 182 G HA2 0.164 4.124 3.960 0.000 0.000 0.265 182 G HA3 0.164 4.124 3.960 0.000 0.000 0.265 182 G C -1.446 173.452 174.900 -0.004 0.000 1.329 182 G CA -0.635 44.463 45.100 -0.004 0.000 1.017 182 G HN 0.393 nan 8.290 nan 0.000 0.472 183 L N 0.878 122.099 121.223 -0.003 0.000 2.452 183 L HA 0.617 4.957 4.340 0.000 0.000 0.267 183 L C 0.384 177.252 176.870 -0.003 0.000 1.188 183 L CA 0.753 55.591 54.840 -0.003 0.000 0.821 183 L CB 0.390 42.447 42.059 -0.003 0.000 1.102 183 L HN 1.031 nan 8.230 nan 0.000 0.470 184 Q N 2.074 121.872 119.800 -0.004 0.000 3.215 184 Q HA -0.091 4.249 4.340 0.000 0.000 0.034 184 Q C -1.464 174.533 176.000 -0.004 0.000 1.698 184 Q CA 0.280 56.081 55.803 -0.004 0.000 0.248 184 Q CB -0.244 28.492 28.738 -0.004 0.000 0.583 184 Q HN 0.658 nan 8.270 nan 0.000 0.322 185 D N 2.465 122.862 120.400 -0.005 0.000 2.253 185 D HA 0.377 5.017 4.640 0.000 0.000 0.249 185 D C -0.214 176.083 176.300 -0.006 0.000 1.049 185 D CA -0.195 53.802 54.000 -0.005 0.000 0.929 185 D CB 1.084 41.881 40.800 -0.006 0.000 1.176 185 D HN 0.324 nan 8.370 nan 0.000 0.437 186 E N 0.063 120.259 120.200 -0.007 0.000 2.317 186 E HA 0.587 4.937 4.350 0.000 0.000 0.270 186 E C -1.167 175.428 176.600 -0.008 0.000 0.885 186 E CA -0.927 55.469 56.400 -0.007 0.000 0.760 186 E CB 2.702 32.398 29.700 -0.007 0.000 1.227 186 E HN 0.125 nan 8.360 nan 0.000 0.434 187 L N 2.505 123.723 121.223 -0.008 0.000 2.513 187 L HA 0.563 4.903 4.340 0.000 0.000 0.261 187 L C -2.222 174.643 176.870 -0.009 0.000 0.945 187 L CA -0.224 54.611 54.840 -0.009 0.000 0.848 187 L CB 2.029 44.082 42.059 -0.010 0.000 1.334 187 L HN 0.687 nan 8.230 nan 0.000 0.407 188 D N 2.821 123.215 120.400 -0.010 0.000 2.783 188 D HA 0.286 4.926 4.640 0.000 0.000 0.253 188 D C -1.591 174.703 176.300 -0.010 0.000 1.206 188 D CA -0.418 53.576 54.000 -0.009 0.000 0.740 188 D CB 1.489 42.284 40.800 -0.008 0.000 1.313 188 D HN 0.392 nan 8.370 nan 0.000 0.427 189 V N 0.154 120.063 119.914 -0.008 0.000 2.481 189 V HA 0.623 4.743 4.120 0.000 0.000 0.286 189 V C 0.548 176.638 176.094 -0.007 0.000 1.042 189 V CA -0.622 61.673 62.300 -0.008 0.000 0.928 189 V CB 1.236 33.055 31.823 -0.007 0.000 0.986 189 V HN 0.616 nan 8.190 nan 0.000 0.462 190 V N 0.801 120.711 119.914 -0.007 0.000 2.914 190 V HA 0.636 4.756 4.120 0.000 0.000 0.314 190 V C -0.279 175.813 176.094 -0.002 0.000 1.084 190 V CA -1.060 61.237 62.300 -0.005 0.000 0.963 190 V CB 2.073 33.891 31.823 -0.007 0.000 1.025 190 V HN 0.711 nan 8.190 nan 0.000 0.432 191 E N 2.366 122.566 120.200 0.000 0.000 2.406 191 E HA 0.437 4.787 4.350 0.000 0.000 0.247 191 E C 0.353 176.957 176.600 0.008 0.000 1.160 191 E CA 0.899 57.301 56.400 0.004 0.000 0.950 191 E CB 0.527 30.230 29.700 0.005 0.000 0.993 191 E HN 1.103 nan 8.360 nan 0.000 0.472 192 G N 1.623 110.430 108.800 0.011 0.000 2.827 192 G HA2 0.733 4.693 3.960 0.000 0.000 0.296 192 G HA3 0.733 4.693 3.960 0.000 0.000 0.296 192 G C -0.999 173.918 174.900 0.029 0.000 1.362 192 G CA -0.602 44.508 45.100 0.017 0.000 0.809 192 G HN 0.395 nan 8.290 nan 0.000 0.522 193 M N -0.570 119.054 119.600 0.040 0.000 2.732 193 M HA 0.570 5.050 4.480 0.000 0.000 0.272 193 M C -2.375 173.961 176.300 0.059 0.000 1.203 193 M CA -0.682 54.660 55.300 0.069 0.000 0.841 193 M CB 2.488 35.158 32.600 0.117 0.000 1.685 193 M HN 0.695 nan 8.290 nan 0.000 0.492 194 Q N 2.967 122.814 119.800 0.078 0.000 2.280 194 Q HA 0.546 4.886 4.340 0.000 0.000 0.259 194 Q C -2.272 173.779 176.000 0.084 0.000 0.964 194 Q CA -0.639 55.153 55.803 -0.017 0.000 0.844 194 Q CB 1.679 30.380 28.738 -0.061 0.000 1.334 194 Q HN 0.591 nan 8.270 nan 0.000 0.423 195 F N 0.113 120.062 119.950 -0.003 0.000 2.575 195 F HA 0.576 5.103 4.527 0.000 0.000 0.330 195 F C -0.162 175.636 175.800 -0.003 0.000 1.056 195 F CA -1.237 56.762 58.000 -0.001 0.000 0.964 195 F CB 0.927 39.928 39.000 0.001 0.000 1.258 195 F HN 0.298 nan 8.300 nan 0.000 0.484 196 D N 2.536 123.055 120.400 0.199 0.000 2.713 196 D HA 0.160 4.800 4.640 0.000 0.000 0.229 196 D C -0.222 176.141 176.300 0.106 0.000 1.136 196 D CA 0.190 54.243 54.000 0.089 0.000 1.010 196 D CB -0.024 40.821 40.800 0.075 0.000 1.084 196 D HN 0.245 nan 8.370 nan 0.000 0.495 197 R N 0.231 120.783 120.500 0.086 0.000 2.628 197 R HA 0.558 4.898 4.340 0.000 0.000 0.288 197 R C 0.352 176.622 176.300 -0.050 0.000 0.980 197 R CA -0.733 55.420 56.100 0.087 0.000 0.891 197 R CB 2.263 32.735 30.300 0.287 0.000 1.188 197 R HN 0.193 nan 8.270 nan 0.000 0.450 198 G N 1.025 109.760 108.800 -0.108 0.000 2.613 198 G HA2 0.423 4.383 3.960 0.000 0.000 0.303 198 G HA3 0.423 4.383 3.960 0.000 0.000 0.303 198 G C -0.684 174.099 174.900 -0.194 0.000 1.312 198 G CA -0.548 44.395 45.100 -0.262 0.000 1.036 198 G HN 0.459 nan 8.290 nan 0.000 0.513 199 Y N -1.197 119.108 120.300 0.008 0.000 2.578 199 Y HA 0.300 4.850 4.550 0.000 0.000 0.339 199 Y C 1.148 177.089 175.900 0.067 0.000 1.231 199 Y CA -1.073 57.033 58.100 0.010 0.000 1.461 199 Y CB 0.452 38.953 38.460 0.068 0.000 1.323 199 Y HN 0.166 nan 8.280 nan 0.000 0.590 200 L N 2.241 123.618 121.223 0.257 0.000 2.675 200 L HA 0.115 4.455 4.340 0.000 0.000 0.239 200 L C 0.435 177.554 176.870 0.414 0.000 1.151 200 L CA 0.721 55.717 54.840 0.261 0.000 0.905 200 L CB -0.596 41.574 42.059 0.185 0.000 1.057 200 L HN 0.854 nan 8.230 nan 0.000 0.435 201 S N -2.055 114.014 115.700 0.615 0.000 2.756 201 S HA 0.223 4.693 4.470 0.000 0.000 0.295 201 S C -2.641 172.161 174.600 0.337 0.000 0.945 201 S CA -0.936 57.554 58.200 0.483 0.000 0.838 201 S CB 1.035 64.471 63.200 0.392 0.000 1.042 201 S HN -0.202 nan 8.310 nan 0.000 0.467 202 P HA 0.340 nan 4.420 nan 0.000 0.335 202 P C 0.333 177.469 177.300 -0.273 0.000 1.416 202 P CA 0.682 63.512 63.100 -0.450 0.000 0.828 202 P CB -0.020 31.379 31.700 -0.501 0.000 1.966 203 Y N -4.661 115.498 120.300 -0.235 0.000 2.742 203 Y HA -0.333 4.217 4.550 0.000 0.000 0.485 203 Y C 1.989 177.756 175.900 -0.222 0.000 1.119 203 Y CA 1.687 59.639 58.100 -0.248 0.000 2.917 203 Y CB -3.049 35.206 38.460 -0.343 0.000 0.951 203 Y HN 0.090 nan 8.280 nan 0.000 0.562 204 F N 0.716 120.680 119.950 0.025 0.000 2.184 204 F HA -0.170 4.357 4.527 0.000 0.000 0.301 204 F C 1.561 177.322 175.800 -0.064 0.000 1.076 204 F CA 1.352 59.344 58.000 -0.012 0.000 1.295 204 F CB -0.821 38.172 39.000 -0.013 0.000 1.026 204 F HN 0.010 nan 8.300 nan 0.000 0.494 205 I N 1.930 122.508 120.570 0.012 0.000 3.017 205 I HA -0.221 3.949 4.170 0.000 0.000 0.310 205 I C 0.594 176.707 176.117 -0.006 0.000 1.220 205 I CA 0.832 62.095 61.300 -0.061 0.000 1.450 205 I CB -0.020 37.872 38.000 -0.179 0.000 1.317 205 I HN 0.263 nan 8.210 nan 0.000 0.570 206 N N 2.663 121.365 118.700 0.004 0.000 2.036 206 N HA 0.074 4.814 4.740 0.000 0.000 0.228 206 N C -0.261 175.251 175.510 0.004 0.000 1.368 206 N CA -0.330 52.726 53.050 0.011 0.000 0.846 206 N CB 0.521 39.025 38.487 0.028 0.000 1.145 206 N HN 0.394 nan 8.380 nan 0.000 0.502 207 K N 1.316 121.716 120.400 -0.001 0.000 3.206 207 K HA 0.298 4.618 4.320 0.000 0.000 0.180 207 K C -2.077 174.520 176.600 -0.005 0.000 1.088 207 K CA -1.296 54.992 56.287 0.001 0.000 0.872 207 K CB 1.735 34.241 32.500 0.009 0.000 0.976 207 K HN 0.066 nan 8.250 nan 0.000 0.564 208 P HA -0.180 nan 4.420 nan 0.000 0.225 208 P C 0.410 177.702 177.300 -0.014 0.000 1.141 208 P CA 1.147 64.233 63.100 -0.024 0.000 0.774 208 P CB 0.487 32.169 31.700 -0.029 0.000 0.760 209 E N -0.157 120.039 120.200 -0.006 0.000 2.150 209 E HA -0.095 4.255 4.350 0.000 0.000 0.193 209 E C 1.814 178.414 176.600 0.000 0.000 0.985 209 E CA 1.975 58.374 56.400 -0.003 0.000 0.814 209 E CB -0.880 28.821 29.700 0.002 0.000 0.752 209 E HN 0.463 nan 8.360 nan 0.000 0.466 210 T N -5.084 109.474 114.554 0.007 0.000 2.975 210 T HA 0.366 4.716 4.350 0.000 0.000 0.261 210 T C 1.299 176.013 174.700 0.023 0.000 0.984 210 T CA 0.011 62.121 62.100 0.017 0.000 0.911 210 T CB 0.715 69.604 68.868 0.035 0.000 1.127 210 T HN 0.196 nan 8.240 nan 0.000 0.514 211 G N 1.361 110.168 108.800 0.012 0.000 2.289 211 G HA2 0.240 4.200 3.960 0.000 0.000 0.280 211 G HA3 0.240 4.200 3.960 0.000 0.000 0.280 211 G C 0.057 174.989 174.900 0.054 0.000 1.089 211 G CA -0.057 45.050 45.100 0.012 0.000 0.939 211 G HN 1.273 nan 8.290 nan 0.000 0.499 212 A N -1.349 121.493 122.820 0.038 0.000 2.569 212 A HA 0.962 5.282 4.320 0.000 0.000 0.290 212 A C 0.088 177.695 177.584 0.039 0.000 1.136 212 A CA -0.085 51.999 52.037 0.077 0.000 0.710 212 A CB 1.641 20.692 19.000 0.086 0.000 1.303 212 A HN 1.284 nan 8.150 nan 0.000 0.413 213 V N 0.044 119.997 119.914 0.065 0.000 3.262 213 V HA 0.715 4.835 4.120 0.000 0.000 0.313 213 V C 0.144 176.259 176.094 0.033 0.000 1.070 213 V CA -0.261 62.069 62.300 0.050 0.000 1.049 213 V CB 1.534 33.395 31.823 0.063 0.000 1.157 213 V HN 0.966 nan 8.190 nan 0.000 0.454 214 E N 0.726 120.941 120.200 0.026 0.000 2.647 214 E HA 0.457 4.807 4.350 0.000 0.000 0.320 214 E C -2.171 174.436 176.600 0.011 0.000 0.951 214 E CA -0.457 55.951 56.400 0.013 0.000 0.809 214 E CB 1.272 30.979 29.700 0.011 0.000 1.295 214 E HN 0.581 nan 8.360 nan 0.000 0.407 215 L N 2.952 124.176 121.223 0.001 0.000 2.385 215 L HA 0.542 4.882 4.340 0.000 0.000 0.273 215 L C -0.381 176.478 176.870 -0.019 0.000 0.990 215 L CA -0.922 53.916 54.840 -0.003 0.000 0.821 215 L CB 2.119 44.179 42.059 0.000 0.000 1.279 215 L HN 0.481 nan 8.230 nan 0.000 0.412 216 E N 1.158 121.344 120.200 -0.023 0.000 2.174 216 E HA 0.231 4.582 4.350 0.000 0.000 0.282 216 E C -0.077 176.482 176.600 -0.068 0.000 0.992 216 E CA -0.383 55.994 56.400 -0.038 0.000 0.803 216 E CB 1.324 31.006 29.700 -0.029 0.000 1.090 216 E HN 0.625 nan 8.360 nan 0.000 0.396 217 S N 2.389 118.038 115.700 -0.085 0.000 3.427 217 S HA -0.139 4.331 4.470 0.000 0.000 0.373 217 S C -1.995 172.470 174.600 -0.225 0.000 0.973 217 S CA 0.330 58.446 58.200 -0.140 0.000 1.218 217 S CB -1.328 61.791 63.200 -0.136 0.000 0.912 217 S HN 0.512 nan 8.310 nan 0.000 0.483 218 P HA 0.425 nan 4.420 nan 0.000 0.277 218 P C -0.106 177.047 177.300 -0.244 0.000 1.276 218 P CA -0.472 62.530 63.100 -0.162 0.000 0.788 218 P CB 0.487 32.164 31.700 -0.039 0.000 1.114 219 F N -0.757 119.200 119.950 0.012 0.000 2.458 219 F HA 0.468 4.995 4.527 0.000 0.000 0.330 219 F C 0.610 176.419 175.800 0.014 0.000 1.082 219 F CA -0.624 57.384 58.000 0.013 0.000 0.995 219 F CB 1.015 40.023 39.000 0.012 0.000 1.170 219 F HN 0.023 nan 8.300 nan 0.000 0.478 220 I N 4.617 125.341 120.570 0.257 0.000 2.382 220 I HA 0.275 4.445 4.170 0.000 0.000 0.286 220 I C -1.217 174.967 176.117 0.112 0.000 1.002 220 I CA -0.961 60.427 61.300 0.146 0.000 1.135 220 I CB 1.717 39.784 38.000 0.112 0.000 1.288 220 I HN 0.240 nan 8.210 nan 0.000 0.448 221 L N 8.301 129.570 121.223 0.077 0.000 2.257 221 L HA 0.460 4.800 4.340 0.000 0.000 0.290 221 L C -0.853 176.034 176.870 0.029 0.000 1.044 221 L CA -0.030 54.833 54.840 0.039 0.000 0.810 221 L CB 0.627 42.700 42.059 0.024 0.000 1.193 221 L HN 0.474 nan 8.230 nan 0.000 0.425 222 L N 6.422 127.655 121.223 0.017 0.000 2.283 222 L HA 0.707 5.047 4.340 0.000 0.000 0.281 222 L C -0.121 176.746 176.870 -0.004 0.000 1.033 222 L CA -0.427 54.415 54.840 0.003 0.000 0.848 222 L CB 1.003 43.061 42.059 -0.002 0.000 1.226 222 L HN 0.796 nan 8.230 nan 0.000 0.429 223 A N 1.943 124.760 122.820 -0.004 0.000 2.335 223 A HA 0.400 4.720 4.320 0.000 0.000 0.304 223 A C -0.800 176.780 177.584 -0.007 0.000 1.118 223 A CA -0.587 51.447 52.037 -0.005 0.000 0.757 223 A CB 1.185 20.185 19.000 0.000 0.000 1.188 223 A HN 0.644 nan 8.150 nan 0.000 0.460 224 D N 2.800 123.195 120.400 -0.010 0.000 2.435 224 D HA 0.460 5.100 4.640 0.000 0.000 0.230 224 D C -0.073 176.227 176.300 -0.001 0.000 1.215 224 D CA 0.397 54.391 54.000 -0.009 0.000 0.947 224 D CB -0.418 40.373 40.800 -0.015 0.000 1.048 224 D HN 0.631 nan 8.370 nan 0.000 0.512 225 K N 0.646 121.049 120.400 0.005 0.000 3.076 225 K HA 0.199 4.519 4.320 0.000 0.000 0.314 225 K C -1.223 175.386 176.600 0.015 0.000 1.113 225 K CA -1.158 55.135 56.287 0.010 0.000 0.860 225 K CB 0.368 32.872 32.500 0.007 0.000 1.435 225 K HN -0.045 nan 8.250 nan 0.000 0.374 226 K N 0.811 121.222 120.400 0.019 0.000 2.098 226 K HA 0.528 4.848 4.320 0.000 0.000 0.257 226 K C -0.511 176.103 176.600 0.023 0.000 0.999 226 K CA -0.592 55.709 56.287 0.023 0.000 0.924 226 K CB 0.738 33.253 32.500 0.025 0.000 1.028 226 K HN 0.416 nan 8.250 nan 0.000 0.466 227 I N 1.315 121.902 120.570 0.028 0.000 2.500 227 I HA 0.073 4.243 4.170 0.000 0.000 0.286 227 I C -0.160 175.977 176.117 0.034 0.000 1.063 227 I CA -0.125 61.192 61.300 0.028 0.000 1.062 227 I CB 2.072 40.089 38.000 0.029 0.000 1.223 227 I HN 0.585 nan 8.210 nan 0.000 0.435 228 S N 3.301 119.018 115.700 0.029 0.000 2.687 228 S HA 0.271 4.741 4.470 0.000 0.000 0.247 228 S C 0.223 174.838 174.600 0.025 0.000 1.050 228 S CA -0.304 57.914 58.200 0.030 0.000 1.063 228 S CB 0.251 63.467 63.200 0.026 0.000 1.039 228 S HN 0.559 nan 8.310 nan 0.000 0.580 229 N N 1.702 120.415 118.700 0.022 0.000 2.483 229 N HA 0.360 5.100 4.740 0.000 0.000 0.267 229 N C 0.307 175.827 175.510 0.017 0.000 0.998 229 N CA -0.210 52.850 53.050 0.017 0.000 0.918 229 N CB 1.745 40.240 38.487 0.013 0.000 1.215 229 N HN 0.122 nan 8.380 nan 0.000 0.500 230 I N 2.087 122.668 120.570 0.019 0.000 2.530 230 I HA -0.229 3.941 4.170 0.000 0.000 0.257 230 I C 2.272 178.396 176.117 0.012 0.000 1.179 230 I CA 1.182 62.493 61.300 0.019 0.000 1.440 230 I CB 0.191 38.202 38.000 0.019 0.000 1.087 230 I HN 0.450 nan 8.210 nan 0.000 0.440 231 R N 1.117 121.622 120.500 0.009 0.000 2.316 231 R HA -0.193 4.147 4.340 0.000 0.000 0.232 231 R C 1.347 177.649 176.300 0.004 0.000 1.137 231 R CA 1.599 57.702 56.100 0.005 0.000 1.012 231 R CB -0.112 30.191 30.300 0.004 0.000 0.859 231 R HN 0.568 nan 8.270 nan 0.000 0.474 232 E N -1.003 119.200 120.200 0.005 0.000 2.476 232 E HA 0.016 4.366 4.350 0.000 0.000 0.199 232 E C 1.328 177.928 176.600 0.001 0.000 1.021 232 E CA -0.028 56.374 56.400 0.003 0.000 0.907 232 E CB 0.418 30.121 29.700 0.005 0.000 0.974 232 E HN 0.281 nan 8.360 nan 0.000 0.489 233 M N 0.091 119.694 119.600 0.004 0.000 2.552 233 M HA 0.093 4.573 4.480 0.000 0.000 0.264 233 M C 2.149 178.448 176.300 -0.002 0.000 1.159 233 M CA 0.664 55.966 55.300 0.003 0.000 1.176 233 M CB -0.573 32.035 32.600 0.014 0.000 1.327 233 M HN 0.126 nan 8.290 nan 0.000 0.481 234 L N 1.135 122.358 121.223 0.000 0.000 2.040 234 L HA -0.273 4.067 4.340 0.000 0.000 0.228 234 L C -0.162 176.702 176.870 -0.009 0.000 1.092 234 L CA 2.120 56.959 54.840 -0.002 0.000 0.805 234 L CB -2.783 39.275 42.059 -0.002 0.000 0.905 234 L HN 0.188 nan 8.230 nan 0.000 0.443 235 P HA -0.146 nan 4.420 nan 0.000 0.214 235 P C 1.257 178.539 177.300 -0.031 0.000 1.163 235 P CA 1.757 64.846 63.100 -0.019 0.000 0.889 235 P CB -0.037 31.651 31.700 -0.019 0.000 0.790 236 V N -0.119 119.774 119.914 -0.035 0.000 3.110 236 V HA 0.173 4.293 4.120 0.000 0.000 0.368 236 V C 1.852 177.915 176.094 -0.052 0.000 1.332 236 V CA 0.250 62.515 62.300 -0.057 0.000 1.287 236 V CB -0.320 31.464 31.823 -0.065 0.000 1.277 236 V HN 0.053 nan 8.190 nan 0.000 0.502 237 L N -1.127 120.078 121.223 -0.029 0.000 2.713 237 L HA 0.316 4.656 4.340 0.000 0.000 0.223 237 L C 2.132 179.000 176.870 -0.004 0.000 1.040 237 L CA 0.655 55.489 54.840 -0.011 0.000 0.894 237 L CB 0.689 42.752 42.059 0.006 0.000 1.361 237 L HN 0.193 nan 8.230 nan 0.000 0.490 238 E N 0.548 120.744 120.200 -0.006 0.000 2.274 238 E HA -0.054 4.296 4.350 0.000 0.000 0.194 238 E C 1.788 178.384 176.600 -0.006 0.000 0.996 238 E CA 0.799 57.199 56.400 -0.001 0.000 0.840 238 E CB 0.073 29.772 29.700 -0.002 0.000 0.772 238 E HN 0.544 nan 8.360 nan 0.000 0.491 239 A N 0.729 123.534 122.820 -0.025 0.000 2.239 239 A HA -0.011 4.309 4.320 0.000 0.000 0.209 239 A C 1.969 179.525 177.584 -0.047 0.000 1.171 239 A CA 0.564 52.578 52.037 -0.039 0.000 0.768 239 A CB 0.147 19.108 19.000 -0.065 0.000 0.790 239 A HN 0.090 nan 8.150 nan 0.000 0.478 240 V N -1.594 118.305 119.914 -0.026 0.000 3.661 240 V HA 0.105 4.225 4.120 0.000 0.000 0.271 240 V C 2.489 178.623 176.094 0.068 0.000 1.315 240 V CA 0.849 63.158 62.300 0.015 0.000 1.072 240 V CB 0.020 31.850 31.823 0.012 0.000 0.830 240 V HN 0.504 nan 8.190 nan 0.000 0.443 241 A N -0.037 122.808 122.820 0.041 0.000 2.014 241 A HA -0.023 4.297 4.320 0.000 0.000 0.218 241 A C 1.354 178.966 177.584 0.048 0.000 1.163 241 A CA 0.913 52.976 52.037 0.044 0.000 0.652 241 A CB -0.137 18.880 19.000 0.028 0.000 0.808 241 A HN 0.487 nan 8.150 nan 0.000 0.449 242 K N -1.873 118.553 120.400 0.044 0.000 2.168 242 K HA 0.444 4.764 4.320 0.000 0.000 0.258 242 K C 0.985 177.634 176.600 0.081 0.000 1.010 242 K CA 0.331 56.645 56.287 0.047 0.000 0.929 242 K CB 0.575 33.093 32.500 0.031 0.000 0.998 242 K HN 0.594 nan 8.250 nan 0.000 0.479 243 A N 1.316 124.183 122.820 0.079 0.000 4.159 243 A HA -0.250 4.070 4.320 0.000 0.000 0.263 243 A C 1.431 179.071 177.584 0.092 0.000 0.889 243 A CA 1.869 53.969 52.037 0.105 0.000 1.227 243 A CB -2.423 16.693 19.000 0.194 0.000 1.051 243 A HN 1.383 nan 8.150 nan 0.000 0.820 244 G N -1.191 107.661 108.800 0.086 0.000 2.216 244 G HA2 -0.399 3.561 3.960 0.000 0.000 0.269 244 G HA3 -0.399 3.561 3.960 0.000 0.000 0.269 244 G C 0.160 175.105 174.900 0.074 0.000 0.981 244 G CA 1.502 46.643 45.100 0.068 0.000 0.658 244 G HN 1.251 nan 8.290 nan 0.000 0.539 245 K N 2.165 122.630 120.400 0.109 0.000 2.382 245 K HA 0.229 4.549 4.320 0.000 0.000 0.286 245 K C -1.764 174.914 176.600 0.130 0.000 1.062 245 K CA -0.973 55.349 56.287 0.058 0.000 1.000 245 K CB 0.703 33.169 32.500 -0.057 0.000 0.954 245 K HN 0.263 nan 8.250 nan 0.000 0.470 246 P HA -0.095 nan 4.420 nan 0.000 0.269 246 P C -0.777 176.604 177.300 0.135 0.000 1.211 246 P CA -0.242 62.910 63.100 0.086 0.000 0.781 246 P CB 0.568 32.296 31.700 0.046 0.000 0.877 247 L N 2.295 123.598 121.223 0.132 0.000 2.386 247 L HA 0.555 4.895 4.340 0.000 0.000 0.271 247 L C -1.330 175.590 176.870 0.084 0.000 0.993 247 L CA -1.007 53.924 54.840 0.152 0.000 0.819 247 L CB 1.558 43.704 42.059 0.145 0.000 1.294 247 L HN 0.180 nan 8.230 nan 0.000 0.414 248 L N 5.997 127.270 121.223 0.084 0.000 2.305 248 L HA 0.622 4.962 4.340 0.000 0.000 0.284 248 L C -1.137 175.761 176.870 0.046 0.000 1.013 248 L CA -0.200 54.664 54.840 0.039 0.000 0.819 248 L CB 1.135 43.221 42.059 0.046 0.000 1.227 248 L HN 0.440 nan 8.230 nan 0.000 0.417 249 I N 6.798 127.378 120.570 0.016 0.000 2.321 249 I HA 0.345 4.515 4.170 0.000 0.000 0.291 249 I C -0.187 175.947 176.117 0.028 0.000 0.998 249 I CA -0.303 61.011 61.300 0.024 0.000 1.227 249 I CB 1.259 39.269 38.000 0.017 0.000 1.368 249 I HN 0.554 nan 8.210 nan 0.000 0.466 250 I N 5.648 126.240 120.570 0.035 0.000 2.382 250 I HA 0.610 4.780 4.170 0.000 0.000 0.285 250 I C 0.043 176.166 176.117 0.011 0.000 1.007 250 I CA -0.211 61.109 61.300 0.034 0.000 1.142 250 I CB 1.654 39.674 38.000 0.034 0.000 1.289 250 I HN 0.722 nan 8.210 nan 0.000 0.453 251 A N 4.519 127.347 122.820 0.014 0.000 2.569 251 A HA 0.404 4.724 4.320 0.000 0.000 0.290 251 A C 0.718 178.309 177.584 0.012 0.000 1.136 251 A CA -0.563 51.479 52.037 0.009 0.000 0.710 251 A CB 1.456 20.466 19.000 0.016 0.000 1.303 251 A HN 0.742 nan 8.150 nan 0.000 0.413 252 E N -0.509 119.699 120.200 0.013 0.000 2.219 252 E HA -0.159 4.191 4.350 0.000 0.000 0.198 252 E C -0.293 176.326 176.600 0.031 0.000 0.998 252 E CA 1.796 58.209 56.400 0.021 0.000 0.818 252 E CB 0.103 29.818 29.700 0.024 0.000 0.741 252 E HN 0.606 nan 8.360 nan 0.000 0.477 253 D N -2.305 118.115 120.400 0.033 0.000 3.020 253 D HA 0.058 4.698 4.640 0.000 0.000 0.268 253 D C -2.000 174.326 176.300 0.044 0.000 1.078 253 D CA -0.408 53.616 54.000 0.041 0.000 0.725 253 D CB 1.155 41.979 40.800 0.040 0.000 1.639 253 D HN -0.122 nan 8.370 nan 0.000 0.455 254 V N 2.498 122.446 119.914 0.056 0.000 2.444 254 V HA 0.583 4.703 4.120 0.000 0.000 0.294 254 V C -0.259 175.876 176.094 0.070 0.000 1.022 254 V CA -0.512 61.826 62.300 0.064 0.000 0.850 254 V CB 1.659 33.530 31.823 0.080 0.000 0.992 254 V HN 0.438 nan 8.190 nan 0.000 0.426 255 E N 2.456 122.690 120.200 0.058 0.000 2.256 255 E HA 0.631 4.981 4.350 0.000 0.000 0.267 255 E C 0.903 177.532 176.600 0.048 0.000 0.892 255 E CA -0.136 56.296 56.400 0.053 0.000 0.775 255 E CB 2.236 31.961 29.700 0.041 0.000 1.207 255 E HN 0.803 nan 8.360 nan 0.000 0.420 256 G N 2.560 111.387 108.800 0.045 0.000 2.684 256 G HA2 -0.496 3.464 3.960 0.000 0.000 0.358 256 G HA3 -0.496 3.464 3.960 0.000 0.000 0.358 256 G C 1.224 176.142 174.900 0.030 0.000 1.164 256 G CA 1.087 46.207 45.100 0.035 0.000 0.935 256 G HN 0.700 nan 8.290 nan 0.000 0.574 257 E N 1.431 121.645 120.200 0.023 0.000 2.048 257 E HA -0.215 4.135 4.350 0.000 0.000 0.202 257 E C 2.985 179.600 176.600 0.025 0.000 1.021 257 E CA 2.650 59.061 56.400 0.018 0.000 0.825 257 E CB -0.731 28.978 29.700 0.015 0.000 0.756 257 E HN 0.829 nan 8.360 nan 0.000 0.454 258 A N 1.351 124.191 122.820 0.034 0.000 1.845 258 A HA -0.196 4.124 4.320 0.000 0.000 0.215 258 A C 2.322 179.945 177.584 0.065 0.000 1.195 258 A CA 1.781 53.845 52.037 0.045 0.000 0.616 258 A CB -1.010 18.018 19.000 0.047 0.000 0.832 258 A HN 0.369 nan 8.150 nan 0.000 0.443 259 L N -0.085 121.186 121.223 0.079 0.000 1.971 259 L HA -0.160 4.180 4.340 0.000 0.000 0.215 259 L C 2.692 179.610 176.870 0.081 0.000 1.072 259 L CA 2.708 57.618 54.840 0.118 0.000 0.758 259 L CB -1.041 41.090 42.059 0.120 0.000 0.889 259 L HN 0.388 nan 8.230 nan 0.000 0.433 260 A N -1.480 121.362 122.820 0.037 0.000 1.873 260 A HA -0.271 4.049 4.320 0.000 0.000 0.218 260 A C 2.277 179.841 177.584 -0.032 0.000 1.193 260 A CA 2.704 54.733 52.037 -0.013 0.000 0.629 260 A CB -1.487 17.504 19.000 -0.015 0.000 0.826 260 A HN 0.573 nan 8.150 nan 0.000 0.447 261 T N 0.430 114.980 114.554 -0.006 0.000 2.760 261 T HA -0.161 4.189 4.350 0.000 0.000 0.269 261 T C 1.708 176.406 174.700 -0.004 0.000 1.047 261 T CA 1.669 63.765 62.100 -0.008 0.000 1.139 261 T CB -0.398 68.475 68.868 0.009 0.000 0.855 261 T HN 0.399 nan 8.240 nan 0.000 0.471 262 L N 0.280 121.523 121.223 0.032 0.000 2.102 262 L HA 0.026 4.366 4.340 0.000 0.000 0.202 262 L C 2.605 179.452 176.870 -0.038 0.000 1.076 262 L CA 0.573 55.457 54.840 0.074 0.000 0.761 262 L CB -0.611 41.578 42.059 0.217 0.000 0.921 262 L HN 0.107 nan 8.230 nan 0.000 0.444 263 V N -0.398 119.425 119.914 -0.152 0.000 2.568 263 V HA -0.236 3.884 4.120 0.000 0.000 0.253 263 V C 2.377 178.265 176.094 -0.343 0.000 1.072 263 V CA 1.193 63.241 62.300 -0.419 0.000 1.084 263 V CB -0.471 31.130 31.823 -0.370 0.000 0.676 263 V HN 0.187 nan 8.190 nan 0.000 0.469 264 V N 0.607 120.395 119.914 -0.211 0.000 2.231 264 V HA -0.245 3.875 4.120 0.000 0.000 0.240 264 V C 2.129 178.146 176.094 -0.129 0.000 1.039 264 V CA 2.453 64.647 62.300 -0.177 0.000 0.998 264 V CB -0.854 30.901 31.823 -0.113 0.000 0.639 264 V HN 0.600 nan 8.190 nan 0.000 0.451 265 N N 0.413 119.069 118.700 -0.073 0.000 2.247 265 N HA -0.231 4.509 4.740 0.000 0.000 0.189 265 N C 1.743 177.236 175.510 -0.030 0.000 1.009 265 N CA 1.800 54.829 53.050 -0.035 0.000 0.872 265 N CB -0.242 38.246 38.487 0.001 0.000 0.980 265 N HN 0.733 nan 8.380 nan 0.000 0.436 266 T N -1.236 113.287 114.554 -0.052 0.000 2.881 266 T HA -0.070 4.280 4.350 0.000 0.000 0.270 266 T C 1.715 176.393 174.700 -0.038 0.000 1.068 266 T CA 0.930 63.015 62.100 -0.025 0.000 1.131 266 T CB -0.056 68.778 68.868 -0.057 0.000 0.871 266 T HN 0.055 nan 8.240 nan 0.000 0.479 267 M N 0.381 119.935 119.600 -0.077 0.000 2.394 267 M HA 0.331 4.811 4.480 0.000 0.000 0.266 267 M C 2.063 178.338 176.300 -0.043 0.000 1.098 267 M CA 0.789 56.053 55.300 -0.059 0.000 1.149 267 M CB -0.073 32.472 32.600 -0.092 0.000 1.369 267 M HN 0.026 nan 8.290 nan 0.000 0.450 268 R N 0.098 120.570 120.500 -0.046 0.000 2.346 268 R HA 0.219 4.559 4.340 0.000 0.000 0.225 268 R C 1.221 177.511 176.300 -0.016 0.000 0.987 268 R CA 0.502 56.583 56.100 -0.032 0.000 1.106 268 R CB -0.608 29.670 30.300 -0.036 0.000 1.090 268 R HN 0.570 nan 8.270 nan 0.000 0.502 269 G N 1.749 110.544 108.800 -0.009 0.000 2.317 269 G HA2 -0.328 3.632 3.960 0.000 0.000 0.265 269 G HA3 -0.328 3.632 3.960 0.000 0.000 0.265 269 G C 0.537 175.444 174.900 0.011 0.000 0.983 269 G CA 0.564 45.667 45.100 0.004 0.000 0.641 269 G HN 0.434 nan 8.290 nan 0.000 0.556 270 I N 1.580 122.154 120.570 0.007 0.000 2.624 270 I HA 0.292 4.462 4.170 0.000 0.000 0.307 270 I C 0.590 176.723 176.117 0.026 0.000 1.191 270 I CA 0.131 61.438 61.300 0.013 0.000 1.708 270 I CB -0.515 37.488 38.000 0.006 0.000 1.521 270 I HN 0.136 nan 8.210 nan 0.000 0.805 271 V N 4.501 124.436 119.914 0.035 0.000 3.379 271 V HA -0.208 3.912 4.120 0.000 0.000 0.484 271 V C 0.151 176.287 176.094 0.069 0.000 0.682 271 V CA -0.181 62.151 62.300 0.052 0.000 2.029 271 V CB -0.761 31.095 31.823 0.055 0.000 2.475 271 V HN 0.944 nan 8.190 nan 0.000 0.502 272 K N 4.030 124.477 120.400 0.078 0.000 2.300 272 K HA 0.728 5.048 4.320 0.000 0.000 0.264 272 K C -0.553 176.120 176.600 0.122 0.000 1.083 272 K CA -0.612 55.737 56.287 0.103 0.000 0.958 272 K CB 1.891 34.440 32.500 0.080 0.000 1.318 272 K HN 1.033 nan 8.250 nan 0.000 0.448 273 V N -0.918 119.097 119.914 0.168 0.000 2.823 273 V HA 0.931 5.051 4.120 0.000 0.000 0.312 273 V C -0.660 175.511 176.094 0.128 0.000 1.072 273 V CA -0.984 61.397 62.300 0.134 0.000 0.937 273 V CB 1.533 33.428 31.823 0.121 0.000 1.013 273 V HN 0.787 nan 8.190 nan 0.000 0.430 274 A N 2.483 125.232 122.820 -0.118 0.000 2.435 274 A HA 1.065 5.385 4.320 0.000 0.000 0.304 274 A C -0.254 177.070 177.584 -0.434 0.000 1.064 274 A CA -0.235 51.422 52.037 -0.634 0.000 0.727 274 A CB 1.808 20.535 19.000 -0.455 0.000 1.284 274 A HN 2.393 nan 8.150 nan 0.000 0.415 275 A N 0.635 123.118 122.820 -0.563 0.000 2.498 275 A HA 0.880 5.200 4.320 0.000 0.000 0.298 275 A C -0.496 177.004 177.584 -0.140 0.000 1.075 275 A CA -0.060 51.852 52.037 -0.209 0.000 0.714 275 A CB 1.436 20.382 19.000 -0.090 0.000 1.299 275 A HN 2.313 nan 8.150 nan 0.000 0.407 276 V N -1.525 118.378 119.914 -0.018 0.000 3.159 276 V HA 0.626 4.746 4.120 0.000 0.000 0.308 276 V C -0.452 175.688 176.094 0.078 0.000 1.190 276 V CA -1.287 61.039 62.300 0.042 0.000 1.037 276 V CB 1.528 33.395 31.823 0.074 0.000 1.060 276 V HN 0.872 nan 8.190 nan 0.000 0.437 277 K N 1.542 121.992 120.400 0.083 0.000 2.382 277 K HA 0.600 4.920 4.320 0.000 0.000 0.275 277 K C 0.554 177.195 176.600 0.068 0.000 1.009 277 K CA 0.397 56.726 56.287 0.069 0.000 0.970 277 K CB 1.251 33.788 32.500 0.062 0.000 0.934 277 K HN 1.119 nan 8.250 nan 0.000 0.479 278 A N 4.985 127.809 122.820 0.007 0.000 2.492 278 A HA 0.156 4.476 4.320 0.000 0.000 0.236 278 A C -2.063 175.470 177.584 -0.085 0.000 1.078 278 A CA -0.804 51.181 52.037 -0.088 0.000 0.773 278 A CB -0.371 18.582 19.000 -0.078 0.000 1.023 278 A HN 0.499 nan 8.150 nan 0.000 0.504 279 P HA 0.427 nan 4.420 nan 0.000 0.278 279 P C 0.672 177.961 177.300 -0.018 0.000 1.238 279 P CA 1.258 64.293 63.100 -0.109 0.000 0.794 279 P CB 0.901 32.434 31.700 -0.277 0.000 0.955 280 G N 2.312 111.157 108.800 0.074 0.000 2.601 280 G HA2 -0.112 3.848 3.960 0.000 0.000 0.261 280 G HA3 -0.112 3.848 3.960 0.000 0.000 0.261 280 G C -0.737 174.321 174.900 0.263 0.000 1.289 280 G CA 0.335 45.533 45.100 0.164 0.000 0.920 280 G HN 0.790 nan 8.290 nan 0.000 0.571 281 F N -2.642 117.307 119.950 -0.001 0.000 2.741 281 F HA 0.775 5.302 4.527 0.000 0.000 0.313 281 F C 0.819 176.622 175.800 0.005 0.000 1.153 281 F CA 0.478 58.479 58.000 0.002 0.000 0.931 281 F CB 0.928 39.935 39.000 0.012 0.000 1.335 281 F HN 2.556 nan 8.300 nan 0.000 0.460 282 G N 1.463 110.183 108.800 -0.134 0.000 2.525 282 G HA2 -0.241 3.719 3.960 0.000 0.000 0.248 282 G HA3 -0.241 3.719 3.960 0.000 0.000 0.248 282 G C 0.035 174.829 174.900 -0.177 0.000 1.238 282 G CA 0.386 45.326 45.100 -0.267 0.000 0.926 282 G HN 0.901 nan 8.290 nan 0.000 0.574 283 D N 0.363 120.652 120.400 -0.185 0.000 2.194 283 D HA -0.006 4.634 4.640 0.000 0.000 0.204 283 D C 2.573 178.797 176.300 -0.126 0.000 0.964 283 D CA 1.019 54.948 54.000 -0.120 0.000 0.846 283 D CB -0.123 40.619 40.800 -0.096 0.000 0.962 283 D HN 0.474 nan 8.370 nan 0.000 0.490 284 R N 0.724 121.118 120.500 -0.177 0.000 2.081 284 R HA -0.056 4.284 4.340 0.000 0.000 0.235 284 R C 2.388 178.618 176.300 -0.117 0.000 1.131 284 R CA 0.707 56.719 56.100 -0.147 0.000 0.960 284 R CB -0.171 30.025 30.300 -0.174 0.000 0.856 284 R HN 0.100 nan 8.270 nan 0.000 0.436 285 R N 1.747 122.179 120.500 -0.114 0.000 2.083 285 R HA -0.182 4.158 4.340 0.000 0.000 0.237 285 R C 1.780 178.034 176.300 -0.077 0.000 1.137 285 R CA 1.809 57.865 56.100 -0.074 0.000 0.951 285 R CB -0.046 30.238 30.300 -0.025 0.000 0.851 285 R HN 0.144 nan 8.270 nan 0.000 0.434 286 K N -0.236 120.123 120.400 -0.069 0.000 2.103 286 K HA -0.116 4.204 4.320 0.000 0.000 0.207 286 K C 2.090 178.653 176.600 -0.062 0.000 1.048 286 K CA 1.557 57.809 56.287 -0.058 0.000 0.930 286 K CB -0.136 32.335 32.500 -0.049 0.000 0.716 286 K HN 0.249 nan 8.250 nan 0.000 0.444 287 A N 1.098 123.877 122.820 -0.070 0.000 1.897 287 A HA -0.105 4.215 4.320 0.000 0.000 0.215 287 A C 2.115 179.655 177.584 -0.072 0.000 1.181 287 A CA 1.238 53.236 52.037 -0.065 0.000 0.620 287 A CB -0.390 18.570 19.000 -0.067 0.000 0.821 287 A HN 0.151 nan 8.150 nan 0.000 0.443 288 M N -0.612 118.935 119.600 -0.089 0.000 2.159 288 M HA -0.090 4.390 4.480 0.000 0.000 0.263 288 M C 2.139 178.363 176.300 -0.126 0.000 1.063 288 M CA 1.175 56.410 55.300 -0.108 0.000 1.110 288 M CB -0.506 32.014 32.600 -0.133 0.000 1.374 288 M HN 0.384 nan 8.290 nan 0.000 0.411 289 L N 0.066 121.217 121.223 -0.121 0.000 2.042 289 L HA -0.279 4.061 4.340 0.000 0.000 0.210 289 L C 2.701 179.524 176.870 -0.077 0.000 1.076 289 L CA 1.470 56.242 54.840 -0.114 0.000 0.749 289 L CB -0.398 41.611 42.059 -0.084 0.000 0.893 289 L HN 0.339 nan 8.230 nan 0.000 0.432 290 Q N 0.354 120.117 119.800 -0.061 0.000 2.050 290 Q HA -0.225 4.115 4.340 0.000 0.000 0.202 290 Q C 1.600 177.578 176.000 -0.037 0.000 0.980 290 Q CA 2.108 57.886 55.803 -0.042 0.000 0.840 290 Q CB -0.192 28.524 28.738 -0.037 0.000 0.898 290 Q HN 0.403 nan 8.270 nan 0.000 0.424 291 D N -0.059 120.314 120.400 -0.045 0.000 2.126 291 D HA -0.210 4.430 4.640 0.000 0.000 0.190 291 D C 1.821 178.108 176.300 -0.023 0.000 1.001 291 D CA 1.868 55.848 54.000 -0.033 0.000 0.841 291 D CB -0.321 40.455 40.800 -0.040 0.000 0.949 291 D HN 0.340 nan 8.370 nan 0.000 0.446 292 I N 0.820 121.366 120.570 -0.039 0.000 2.118 292 I HA -0.353 3.817 4.170 0.000 0.000 0.241 292 I C 2.483 178.603 176.117 0.004 0.000 1.070 292 I CA 1.357 62.648 61.300 -0.014 0.000 1.327 292 I CB -0.520 37.450 38.000 -0.051 0.000 1.034 292 I HN -0.005 nan 8.210 nan 0.000 0.405 293 A N 0.547 123.363 122.820 -0.007 0.000 1.873 293 A HA -0.274 4.046 4.320 0.000 0.000 0.218 293 A C 2.392 179.982 177.584 0.010 0.000 1.193 293 A CA 2.883 54.923 52.037 0.005 0.000 0.629 293 A CB -1.302 17.696 19.000 -0.004 0.000 0.826 293 A HN 0.438 nan 8.150 nan 0.000 0.447 294 T N 0.403 114.958 114.554 0.002 0.000 2.622 294 T HA -0.162 4.188 4.350 0.000 0.000 0.266 294 T C 1.855 176.561 174.700 0.011 0.000 1.047 294 T CA 1.408 63.510 62.100 0.004 0.000 1.159 294 T CB -0.436 68.430 68.868 -0.002 0.000 0.863 294 T HN 0.345 nan 8.240 nan 0.000 0.422 295 L N 1.905 123.135 121.223 0.013 0.000 2.129 295 L HA -0.101 4.239 4.340 0.000 0.000 0.212 295 L C 2.017 178.902 176.870 0.025 0.000 1.087 295 L CA 2.408 57.259 54.840 0.019 0.000 0.757 295 L CB -1.363 40.711 42.059 0.026 0.000 0.896 295 L HN 0.506 nan 8.230 nan 0.000 0.434 296 T N -3.165 111.407 114.554 0.031 0.000 3.129 296 T HA 0.425 4.775 4.350 0.000 0.000 0.267 296 T C 0.882 175.607 174.700 0.041 0.000 1.018 296 T CA 0.180 62.302 62.100 0.038 0.000 0.903 296 T CB -0.244 68.655 68.868 0.052 0.000 1.067 296 T HN 0.637 nan 8.240 nan 0.000 0.549 297 G N -0.047 108.772 108.800 0.033 0.000 2.978 297 G HA2 0.385 4.346 3.960 0.000 0.000 0.686 297 G HA3 0.385 4.346 3.960 0.000 0.000 0.686 297 G C 0.225 175.152 174.900 0.045 0.000 1.288 297 G CA -0.448 44.673 45.100 0.035 0.000 1.026 297 G HN 1.964 nan 8.290 nan 0.000 0.587 298 G N -0.003 108.817 108.800 0.035 0.000 2.462 298 G HA2 0.589 4.549 3.960 0.000 0.000 0.685 298 G HA3 0.589 4.549 3.960 0.000 0.000 0.685 298 G C -0.092 174.819 174.900 0.018 0.000 1.295 298 G CA 0.379 45.499 45.100 0.033 0.000 0.941 298 G HN 2.845 nan 8.290 nan 0.000 0.554 299 T N -2.668 111.892 114.554 0.010 0.000 2.907 299 T HA 0.862 5.212 4.350 0.000 0.000 0.290 299 T C 0.332 175.030 174.700 -0.002 0.000 1.066 299 T CA -0.196 61.905 62.100 0.002 0.000 1.012 299 T CB 1.503 70.369 68.868 -0.002 0.000 1.184 299 T HN 2.067 nan 8.240 nan 0.000 0.522 300 V N -0.669 119.241 119.914 -0.008 0.000 2.686 300 V HA 0.620 4.740 4.120 0.000 0.000 0.295 300 V C -0.197 175.890 176.094 -0.011 0.000 1.057 300 V CA -0.913 61.380 62.300 -0.012 0.000 1.012 300 V CB 0.342 32.154 31.823 -0.018 0.000 1.006 300 V HN 0.868 nan 8.190 nan 0.000 0.477 301 I N 4.483 125.046 120.570 -0.011 0.000 2.412 301 I HA 0.344 4.514 4.170 0.000 0.000 0.279 301 I C 0.286 176.397 176.117 -0.009 0.000 1.063 301 I CA -0.047 61.247 61.300 -0.010 0.000 1.193 301 I CB 1.127 39.121 38.000 -0.010 0.000 1.370 301 I HN 0.860 nan 8.210 nan 0.000 0.479 302 S N 2.627 118.321 115.700 -0.010 0.000 2.451 302 S HA 0.362 4.832 4.470 0.000 0.000 0.301 302 S C 0.720 175.316 174.600 -0.007 0.000 1.116 302 S CA -0.777 57.418 58.200 -0.009 0.000 1.093 302 S CB 1.834 65.027 63.200 -0.012 0.000 1.017 302 S HN 0.582 nan 8.310 nan 0.000 0.482 303 E N 2.177 122.374 120.200 -0.004 0.000 2.171 303 E HA -0.223 4.127 4.350 0.000 0.000 0.197 303 E C 1.355 177.953 176.600 -0.004 0.000 0.997 303 E CA 1.566 57.965 56.400 -0.003 0.000 0.810 303 E CB -0.242 29.458 29.700 -0.000 0.000 0.738 303 E HN 0.844 nan 8.360 nan 0.000 0.467 304 E N 0.171 120.368 120.200 -0.004 0.000 2.301 304 E HA -0.195 4.155 4.350 0.000 0.000 0.202 304 E C 0.748 177.344 176.600 -0.006 0.000 1.017 304 E CA 0.785 57.182 56.400 -0.005 0.000 0.831 304 E CB -0.112 29.584 29.700 -0.007 0.000 0.742 304 E HN 0.402 nan 8.360 nan 0.000 0.491 305 I N -0.559 120.008 120.570 -0.006 0.000 2.979 305 I HA 0.208 4.378 4.170 0.000 0.000 0.337 305 I C 0.760 176.874 176.117 -0.005 0.000 1.453 305 I CA -0.304 60.993 61.300 -0.006 0.000 0.891 305 I CB 0.892 38.888 38.000 -0.007 0.000 1.887 305 I HN 0.048 nan 8.210 nan 0.000 0.546 306 G N 1.978 110.775 108.800 -0.005 0.000 2.200 306 G HA2 -0.325 3.635 3.960 0.000 0.000 0.268 306 G HA3 -0.325 3.635 3.960 0.000 0.000 0.268 306 G C 0.430 175.327 174.900 -0.005 0.000 0.986 306 G CA 0.415 45.512 45.100 -0.004 0.000 0.677 306 G HN 0.463 nan 8.290 nan 0.000 0.532 307 M N 0.472 120.069 119.600 -0.006 0.000 2.217 307 M HA 0.396 4.876 4.480 0.000 0.000 0.354 307 M C 0.414 176.710 176.300 -0.006 0.000 1.225 307 M CA 0.557 55.853 55.300 -0.007 0.000 1.137 307 M CB 0.723 33.318 32.600 -0.008 0.000 1.576 307 M HN 0.228 nan 8.290 nan 0.000 0.461 308 E N 2.286 122.482 120.200 -0.007 0.000 2.277 308 E HA 0.301 4.651 4.350 0.000 0.000 0.266 308 E C -0.093 176.502 176.600 -0.009 0.000 0.901 308 E CA -0.651 55.745 56.400 -0.007 0.000 0.782 308 E CB 2.032 31.728 29.700 -0.006 0.000 1.228 308 E HN 0.661 nan 8.360 nan 0.000 0.424 309 L N 1.865 123.083 121.223 -0.008 0.000 2.749 309 L HA -0.119 4.221 4.340 0.000 0.000 0.245 309 L C 1.017 177.878 176.870 -0.015 0.000 1.156 309 L CA 0.695 55.529 54.840 -0.011 0.000 0.890 309 L CB -0.355 41.700 42.059 -0.007 0.000 1.036 309 L HN 0.486 nan 8.230 nan 0.000 0.441 310 E N -0.091 120.102 120.200 -0.013 0.000 2.256 310 E HA 0.010 4.360 4.350 0.000 0.000 0.198 310 E C 1.024 177.613 176.600 -0.017 0.000 0.908 310 E CA 0.546 56.937 56.400 -0.014 0.000 0.915 310 E CB 0.209 29.902 29.700 -0.010 0.000 0.890 310 E HN 0.184 nan 8.360 nan 0.000 0.484 311 K N 0.936 121.326 120.400 -0.015 0.000 3.025 311 K HA 0.340 4.660 4.320 0.000 0.000 0.260 311 K C -0.439 176.149 176.600 -0.020 0.000 1.023 311 K CA -0.005 56.273 56.287 -0.016 0.000 1.194 311 K CB 0.307 32.800 32.500 -0.012 0.000 1.094 311 K HN -0.046 nan 8.250 nan 0.000 0.460 312 A N 1.337 124.142 122.820 -0.026 0.000 2.310 312 A HA 0.285 4.605 4.320 0.000 0.000 0.304 312 A C 0.555 178.112 177.584 -0.046 0.000 1.231 312 A CA -0.777 51.239 52.037 -0.034 0.000 0.799 312 A CB 0.425 19.404 19.000 -0.035 0.000 1.162 312 A HN 0.310 nan 8.150 nan 0.000 0.486 313 T N 0.434 114.961 114.554 -0.046 0.000 3.332 313 T HA 0.338 4.688 4.350 0.000 0.000 0.367 313 T C 1.177 175.822 174.700 -0.091 0.000 1.244 313 T CA 0.204 62.270 62.100 -0.056 0.000 0.977 313 T CB -0.075 68.769 68.868 -0.040 0.000 1.784 313 T HN 0.308 nan 8.240 nan 0.000 0.553 314 L N -0.299 120.865 121.223 -0.099 0.000 2.408 314 L HA 0.277 4.617 4.340 0.000 0.000 0.215 314 L C 2.764 179.563 176.870 -0.119 0.000 1.081 314 L CA 0.619 55.360 54.840 -0.166 0.000 0.840 314 L CB -0.334 41.633 42.059 -0.153 0.000 1.002 314 L HN 0.636 nan 8.230 nan 0.000 0.468 315 E N 0.392 120.563 120.200 -0.049 0.000 2.299 315 E HA -0.160 4.190 4.350 0.000 0.000 0.193 315 E C 1.506 178.102 176.600 -0.007 0.000 0.998 315 E CA 0.788 57.184 56.400 -0.006 0.000 0.851 315 E CB 0.061 29.764 29.700 0.006 0.000 0.795 315 E HN 0.274 nan 8.360 nan 0.000 0.492 316 D N -0.022 120.362 120.400 -0.027 0.000 2.218 316 D HA -0.110 4.531 4.640 0.000 0.000 0.204 316 D C 0.437 176.728 176.300 -0.015 0.000 0.976 316 D CA 0.344 54.332 54.000 -0.020 0.000 0.853 316 D CB -0.059 40.724 40.800 -0.028 0.000 0.939 316 D HN 0.193 nan 8.370 nan 0.000 0.481 317 L N 0.609 121.809 121.223 -0.037 0.000 2.452 317 L HA 0.345 4.685 4.340 0.000 0.000 0.267 317 L C 0.984 177.903 176.870 0.081 0.000 1.188 317 L CA 0.057 54.885 54.840 -0.019 0.000 0.821 317 L CB 1.082 43.045 42.059 -0.160 0.000 1.102 317 L HN -0.103 nan 8.230 nan 0.000 0.470 318 G N 2.046 110.918 108.800 0.120 0.000 2.528 318 G HA2 0.502 4.462 3.960 0.000 0.000 0.289 318 G HA3 0.502 4.462 3.960 0.000 0.000 0.289 318 G C -1.293 173.752 174.900 0.241 0.000 1.192 318 G CA -0.270 44.916 45.100 0.143 0.000 0.921 318 G HN 0.706 nan 8.290 nan 0.000 0.512 319 Q N -0.916 118.970 119.800 0.144 0.000 2.327 319 Q HA 0.550 4.891 4.340 0.000 0.000 0.265 319 Q C -1.310 174.692 176.000 0.002 0.000 0.993 319 Q CA -0.737 55.104 55.803 0.064 0.000 0.885 319 Q CB 1.869 30.633 28.738 0.044 0.000 1.379 319 Q HN 0.961 nan 8.270 nan 0.000 0.408 320 A N 2.687 125.485 122.820 -0.036 0.000 2.532 320 A HA 0.487 4.807 4.320 0.000 0.000 0.290 320 A C -0.480 177.068 177.584 -0.060 0.000 1.143 320 A CA -0.623 51.397 52.037 -0.029 0.000 0.728 320 A CB 1.799 20.797 19.000 -0.002 0.000 1.317 320 A HN 0.805 nan 8.150 nan 0.000 0.414 321 K N -0.669 119.704 120.400 -0.045 0.000 2.459 321 K HA 0.132 4.452 4.320 0.000 0.000 0.193 321 K C 0.351 176.924 176.600 -0.046 0.000 1.030 321 K CA 0.773 57.029 56.287 -0.052 0.000 1.026 321 K CB 0.030 32.507 32.500 -0.038 0.000 0.809 321 K HN 0.568 nan 8.250 nan 0.000 0.504 322 R N -0.353 120.124 120.500 -0.037 0.000 3.964 322 R HA 0.065 4.405 4.340 0.000 0.000 0.244 322 R C -1.885 174.400 176.300 -0.025 0.000 1.004 322 R CA -0.530 55.551 56.100 -0.031 0.000 1.148 322 R CB 0.865 31.148 30.300 -0.027 0.000 1.234 322 R HN -0.024 nan 8.270 nan 0.000 0.567 323 V N 0.397 120.297 119.914 -0.024 0.000 3.001 323 V HA 0.948 5.068 4.120 0.000 0.000 0.314 323 V C -1.254 174.823 176.094 -0.029 0.000 1.099 323 V CA -0.635 61.648 62.300 -0.028 0.000 0.989 323 V CB 2.385 34.196 31.823 -0.020 0.000 1.040 323 V HN 0.434 nan 8.190 nan 0.000 0.434 324 V N 3.822 123.709 119.914 -0.046 0.000 2.577 324 V HA 0.499 4.619 4.120 0.000 0.000 0.294 324 V C -0.979 175.089 176.094 -0.044 0.000 1.052 324 V CA -0.078 62.203 62.300 -0.031 0.000 0.891 324 V CB 1.386 33.192 31.823 -0.028 0.000 1.017 324 V HN 0.833 nan 8.190 nan 0.000 0.436 325 I N 5.566 126.136 120.570 0.000 0.000 2.377 325 I HA 0.531 4.701 4.170 0.000 0.000 0.293 325 I C 0.414 176.607 176.117 0.128 0.000 0.987 325 I CA 0.162 61.479 61.300 0.029 0.000 1.185 325 I CB 1.472 39.518 38.000 0.076 0.000 1.341 325 I HN 0.557 nan 8.210 nan 0.000 0.455 326 N N 4.412 123.150 118.700 0.064 0.000 2.879 326 N HA 0.289 5.029 4.740 0.000 0.000 0.329 326 N C 0.826 176.280 175.510 -0.093 0.000 1.337 326 N CA -0.739 52.369 53.050 0.097 0.000 0.844 326 N CB 0.597 39.096 38.487 0.020 0.000 1.236 326 N HN 0.446 nan 8.380 nan 0.000 0.601 327 K N -0.002 120.309 120.400 -0.147 0.000 2.280 327 K HA -0.133 4.187 4.320 0.000 0.000 0.202 327 K C -0.581 175.730 176.600 -0.482 0.000 1.047 327 K CA 1.744 57.699 56.287 -0.553 0.000 0.942 327 K CB 0.011 32.419 32.500 -0.154 0.000 0.739 327 K HN 0.592 nan 8.250 nan 0.000 0.457 328 D N -1.405 118.845 120.400 -0.250 0.000 2.783 328 D HA 0.092 4.732 4.640 0.000 0.000 0.306 328 D C -1.038 175.195 176.300 -0.112 0.000 1.633 328 D CA -0.452 53.448 54.000 -0.166 0.000 0.796 328 D CB 0.820 41.559 40.800 -0.101 0.000 1.230 328 D HN -0.156 nan 8.370 nan 0.000 0.441 329 T N 0.035 114.509 114.554 -0.132 0.000 3.237 329 T HA 0.522 4.872 4.350 0.000 0.000 0.319 329 T C -0.919 173.648 174.700 -0.222 0.000 1.037 329 T CA -0.449 61.564 62.100 -0.145 0.000 1.048 329 T CB 2.030 70.842 68.868 -0.094 0.000 1.081 329 T HN -0.104 nan 8.240 nan 0.000 0.455 330 T N 2.536 116.830 114.554 -0.434 0.000 2.823 330 T HA 0.714 5.064 4.350 0.000 0.000 0.279 330 T C -0.165 174.133 174.700 -0.669 0.000 0.998 330 T CA -0.621 61.123 62.100 -0.592 0.000 0.994 330 T CB 1.506 69.804 68.868 -0.951 0.000 0.960 330 T HN 0.667 nan 8.240 nan 0.000 0.448 331 T N 2.987 117.320 114.554 -0.368 0.000 2.949 331 T HA 0.577 4.927 4.350 0.000 0.000 0.300 331 T C -0.717 173.907 174.700 -0.125 0.000 0.988 331 T CA -0.717 61.242 62.100 -0.235 0.000 0.993 331 T CB 0.105 68.886 68.868 -0.145 0.000 0.984 331 T HN 0.486 nan 8.240 nan 0.000 0.442 332 I N 5.863 126.396 120.570 -0.063 0.000 2.325 332 I HA 0.421 4.591 4.170 0.000 0.000 0.291 332 I C -0.076 176.038 176.117 -0.004 0.000 1.019 332 I CA -0.815 60.483 61.300 -0.004 0.000 1.302 332 I CB 1.135 39.172 38.000 0.063 0.000 1.401 332 I HN 0.577 nan 8.210 nan 0.000 0.485 333 I N 5.984 126.547 120.570 -0.012 0.000 2.355 333 I HA 0.282 4.452 4.170 0.000 0.000 0.288 333 I C -0.624 175.487 176.117 -0.011 0.000 0.999 333 I CA -0.496 60.797 61.300 -0.013 0.000 1.163 333 I CB 1.168 39.156 38.000 -0.021 0.000 1.316 333 I HN 0.573 nan 8.210 nan 0.000 0.454 334 D N 4.930 125.326 120.400 -0.006 0.000 4.847 334 D HA -0.102 4.538 4.640 0.000 0.000 0.237 334 D C -0.240 176.057 176.300 -0.005 0.000 1.164 334 D CA 0.825 54.821 54.000 -0.007 0.000 1.196 334 D CB 0.076 40.868 40.800 -0.014 0.000 0.717 334 D HN 0.852 nan 8.370 nan 0.000 0.348 335 G N 1.662 110.464 108.800 0.003 0.000 2.371 335 G HA2 0.485 4.445 3.960 0.000 0.000 0.326 335 G HA3 0.485 4.445 3.960 0.000 0.000 0.326 335 G C 1.322 176.226 174.900 0.005 0.000 1.127 335 G CA -0.453 44.651 45.100 0.008 0.000 0.885 335 G HN 0.344 nan 8.290 nan 0.000 0.477 336 V N 2.446 122.364 119.914 0.006 0.000 2.720 336 V HA -0.036 4.084 4.120 0.000 0.000 0.256 336 V C 2.259 178.361 176.094 0.012 0.000 1.082 336 V CA 1.234 63.538 62.300 0.007 0.000 1.101 336 V CB -1.184 30.647 31.823 0.013 0.000 0.693 336 V HN 0.853 nan 8.190 nan 0.000 0.479 337 G N 1.179 109.989 108.800 0.016 0.000 2.341 337 G HA2 -0.058 3.902 3.960 0.000 0.000 0.231 337 G HA3 -0.058 3.902 3.960 0.000 0.000 0.231 337 G C -0.024 174.882 174.900 0.010 0.000 1.206 337 G CA -0.224 44.885 45.100 0.015 0.000 0.865 337 G HN 0.350 nan 8.290 nan 0.000 0.515 338 E N 1.973 122.178 120.200 0.009 0.000 2.328 338 E HA -0.012 4.338 4.350 0.000 0.000 0.265 338 E C 1.501 178.103 176.600 0.005 0.000 1.057 338 E CA -0.079 56.325 56.400 0.007 0.000 0.916 338 E CB 0.674 30.377 29.700 0.006 0.000 0.993 338 E HN 0.688 nan 8.360 nan 0.000 0.446 339 E N 1.959 122.161 120.200 0.003 0.000 2.501 339 E HA -0.172 4.178 4.350 0.000 0.000 0.203 339 E C 1.003 177.604 176.600 0.001 0.000 1.072 339 E CA 0.784 57.185 56.400 0.002 0.000 0.885 339 E CB -0.009 29.691 29.700 0.001 0.000 0.813 339 E HN 0.431 nan 8.360 nan 0.000 0.556 340 A N 0.929 123.750 122.820 0.002 0.000 2.055 340 A HA 0.456 4.776 4.320 0.000 0.000 0.205 340 A C 2.299 179.883 177.584 0.000 0.000 1.235 340 A CA 0.626 52.663 52.037 0.001 0.000 0.822 340 A CB 0.043 19.044 19.000 0.001 0.000 0.903 340 A HN 0.259 nan 8.150 nan 0.000 0.473 341 A N 0.268 123.089 122.820 0.001 0.000 1.897 341 A HA 0.066 4.386 4.320 0.000 0.000 0.215 341 A C 1.993 179.577 177.584 -0.000 0.000 1.181 341 A CA 1.262 53.300 52.037 0.001 0.000 0.620 341 A CB -0.555 18.446 19.000 0.002 0.000 0.821 341 A HN 0.422 nan 8.150 nan 0.000 0.443 342 I N -0.599 119.972 120.570 0.001 0.000 2.286 342 I HA -0.260 3.910 4.170 0.000 0.000 0.248 342 I C 2.672 178.788 176.117 -0.002 0.000 1.115 342 I CA 1.654 62.954 61.300 0.001 0.000 1.392 342 I CB -0.177 37.825 38.000 0.003 0.000 1.065 342 I HN 0.355 nan 8.210 nan 0.000 0.418 343 Q N 1.160 120.960 119.800 -0.001 0.000 2.291 343 Q HA -0.103 4.237 4.340 0.000 0.000 0.205 343 Q C 1.961 177.959 176.000 -0.004 0.000 0.970 343 Q CA 1.716 57.517 55.803 -0.002 0.000 0.876 343 Q CB -0.461 28.276 28.738 -0.002 0.000 0.935 343 Q HN 0.474 nan 8.270 nan 0.000 0.455 344 G N -0.499 108.298 108.800 -0.004 0.000 2.494 344 G HA2 -0.195 3.765 3.960 0.000 0.000 0.216 344 G HA3 -0.195 3.765 3.960 0.000 0.000 0.216 344 G C 1.544 176.440 174.900 -0.007 0.000 1.140 344 G CA 0.506 45.603 45.100 -0.005 0.000 0.801 344 G HN 0.304 nan 8.290 nan 0.000 0.536 345 R N 0.537 121.033 120.500 -0.007 0.000 2.073 345 R HA 0.030 4.370 4.340 0.000 0.000 0.229 345 R C 2.368 178.661 176.300 -0.012 0.000 1.120 345 R CA 1.310 57.404 56.100 -0.010 0.000 0.967 345 R CB -0.829 29.465 30.300 -0.010 0.000 0.862 345 R HN 0.152 nan 8.270 nan 0.000 0.436 346 V N 1.217 121.125 119.914 -0.010 0.000 2.867 346 V HA -0.129 3.991 4.120 0.000 0.000 0.260 346 V C 2.280 178.367 176.094 -0.011 0.000 1.099 346 V CA 1.495 63.789 62.300 -0.011 0.000 1.122 346 V CB -0.883 30.935 31.823 -0.008 0.000 0.708 346 V HN 0.508 nan 8.190 nan 0.000 0.490 347 A N -0.236 122.579 122.820 -0.010 0.000 1.858 347 A HA -0.266 4.054 4.320 0.000 0.000 0.216 347 A C 2.218 179.795 177.584 -0.011 0.000 1.190 347 A CA 1.879 53.911 52.037 -0.009 0.000 0.617 347 A CB -0.466 18.530 19.000 -0.008 0.000 0.827 347 A HN 0.567 nan 8.150 nan 0.000 0.443 348 Q N -0.446 119.347 119.800 -0.012 0.000 2.002 348 Q HA -0.170 4.170 4.340 0.000 0.000 0.204 348 Q C 2.084 178.073 176.000 -0.018 0.000 0.988 348 Q CA 1.773 57.568 55.803 -0.015 0.000 0.843 348 Q CB -0.447 28.281 28.738 -0.016 0.000 0.908 348 Q HN 0.727 nan 8.270 nan 0.000 0.420 349 I N 0.341 120.899 120.570 -0.020 0.000 2.399 349 I HA -0.311 3.859 4.170 0.000 0.000 0.254 349 I C 2.288 178.391 176.117 -0.022 0.000 1.146 349 I CA 1.256 62.541 61.300 -0.024 0.000 1.412 349 I CB -0.254 37.731 38.000 -0.026 0.000 1.076 349 I HN 0.174 nan 8.210 nan 0.000 0.432 350 R N -0.171 120.318 120.500 -0.018 0.000 2.173 350 R HA 0.003 4.343 4.340 0.000 0.000 0.208 350 R C 1.909 178.200 176.300 -0.014 0.000 1.035 350 R CA 0.408 56.499 56.100 -0.016 0.000 1.004 350 R CB 0.083 30.375 30.300 -0.013 0.000 0.917 350 R HN 0.290 nan 8.270 nan 0.000 0.462 351 Q N 0.184 119.976 119.800 -0.014 0.000 2.403 351 Q HA -0.008 4.332 4.340 0.000 0.000 0.203 351 Q C 0.964 176.956 176.000 -0.014 0.000 0.932 351 Q CA 0.755 56.551 55.803 -0.012 0.000 0.945 351 Q CB 0.878 29.609 28.738 -0.010 0.000 1.045 351 Q HN 0.435 nan 8.270 nan 0.000 0.511 352 Q N -0.712 119.077 119.800 -0.017 0.000 2.352 352 Q HA 0.179 4.519 4.340 0.000 0.000 0.212 352 Q C 1.506 177.494 176.000 -0.021 0.000 0.888 352 Q CA 0.077 55.868 55.803 -0.020 0.000 0.934 352 Q CB 0.684 29.407 28.738 -0.025 0.000 1.093 352 Q HN 0.335 nan 8.270 nan 0.000 0.523 353 I N 0.288 120.846 120.570 -0.020 0.000 3.228 353 I HA -0.059 4.111 4.170 0.000 0.000 0.279 353 I C 1.277 177.386 176.117 -0.013 0.000 1.221 353 I CA 0.396 61.684 61.300 -0.019 0.000 1.458 353 I CB 0.244 38.232 38.000 -0.020 0.000 1.105 353 I HN -0.009 nan 8.210 nan 0.000 0.445 354 E N 1.630 121.824 120.200 -0.011 0.000 2.494 354 E HA -0.017 4.333 4.350 0.000 0.000 0.193 354 E C 0.335 176.931 176.600 -0.007 0.000 1.074 354 E CA 0.496 56.891 56.400 -0.008 0.000 0.867 354 E CB 0.040 29.736 29.700 -0.007 0.000 0.924 354 E HN 0.576 nan 8.360 nan 0.000 0.502 355 E N -0.254 119.941 120.200 -0.008 0.000 3.029 355 E HA 0.228 4.579 4.350 0.000 0.000 0.196 355 E C -0.432 176.164 176.600 -0.006 0.000 0.973 355 E CA -0.198 56.198 56.400 -0.007 0.000 1.242 355 E CB 1.186 30.881 29.700 -0.008 0.000 1.056 355 E HN -0.005 nan 8.360 nan 0.000 0.469 356 A N 1.813 124.630 122.820 -0.006 0.000 2.906 356 A HA 0.089 4.409 4.320 0.000 0.000 0.289 356 A C 1.239 178.825 177.584 0.005 0.000 1.675 356 A CA -0.229 51.806 52.037 -0.004 0.000 1.372 356 A CB -0.874 18.122 19.000 -0.007 0.000 1.091 356 A HN 0.197 nan 8.150 nan 0.000 0.579 357 T N -1.202 113.356 114.554 0.007 0.000 3.584 357 T HA 0.291 4.641 4.350 0.000 0.000 0.252 357 T C 0.519 175.232 174.700 0.021 0.000 1.103 357 T CA 0.583 62.690 62.100 0.012 0.000 0.977 357 T CB -0.655 68.219 68.868 0.010 0.000 1.044 357 T HN 0.639 nan 8.240 nan 0.000 0.589 358 S N -1.223 114.493 115.700 0.026 0.000 2.703 358 S HA 0.332 4.802 4.470 0.000 0.000 0.273 358 S C -0.441 174.187 174.600 0.047 0.000 1.178 358 S CA -0.479 57.748 58.200 0.045 0.000 0.838 358 S CB 1.546 64.788 63.200 0.071 0.000 1.178 358 S HN 0.212 nan 8.310 nan 0.000 0.494 359 D N -0.546 119.897 120.400 0.073 0.000 2.566 359 D HA -0.010 4.630 4.640 0.000 0.000 0.253 359 D C 1.598 177.957 176.300 0.098 0.000 0.992 359 D CA 0.518 54.560 54.000 0.069 0.000 0.940 359 D CB -0.295 40.546 40.800 0.069 0.000 1.095 359 D HN 0.521 nan 8.370 nan 0.000 0.480 360 Y N 2.401 122.702 120.300 0.002 0.000 2.040 360 Y HA -0.264 4.286 4.550 0.000 0.000 0.275 360 Y C 1.609 177.508 175.900 -0.002 0.000 1.171 360 Y CA 2.672 60.774 58.100 0.004 0.000 1.123 360 Y CB -0.698 37.765 38.460 0.006 0.000 0.963 360 Y HN -0.040 nan 8.280 nan 0.000 0.493 361 D N -0.561 119.844 120.400 0.010 0.000 2.190 361 D HA -0.210 4.430 4.640 0.000 0.000 0.200 361 D C 2.269 178.498 176.300 -0.118 0.000 0.992 361 D CA 1.687 55.627 54.000 -0.099 0.000 0.854 361 D CB -0.238 40.564 40.800 0.003 0.000 0.936 361 D HN 0.374 nan 8.370 nan 0.000 0.462 362 R N 0.598 121.058 120.500 -0.067 0.000 2.057 362 R HA -0.085 4.255 4.340 0.000 0.000 0.229 362 R C 1.929 178.180 176.300 -0.081 0.000 1.136 362 R CA 1.136 57.202 56.100 -0.056 0.000 0.952 362 R CB 0.042 30.329 30.300 -0.022 0.000 0.848 362 R HN 0.160 nan 8.270 nan 0.000 0.430 363 E N 0.376 120.523 120.200 -0.088 0.000 2.049 363 E HA -0.217 4.133 4.350 0.000 0.000 0.198 363 E C 1.956 178.476 176.600 -0.133 0.000 1.007 363 E CA 1.283 57.630 56.400 -0.089 0.000 0.809 363 E CB 0.028 29.689 29.700 -0.065 0.000 0.749 363 E HN 0.137 nan 8.360 nan 0.000 0.450 364 K N 0.463 120.715 120.400 -0.245 0.000 2.218 364 K HA -0.138 4.182 4.320 0.000 0.000 0.205 364 K C 2.087 178.596 176.600 -0.152 0.000 1.046 364 K CA 0.854 56.994 56.287 -0.245 0.000 0.933 364 K CB -0.181 32.069 32.500 -0.417 0.000 0.728 364 K HN 0.243 nan 8.250 nan 0.000 0.454 365 L N 0.225 121.371 121.223 -0.128 0.000 2.102 365 L HA -0.074 4.266 4.340 0.000 0.000 0.202 365 L C 2.108 178.942 176.870 -0.060 0.000 1.076 365 L CA 0.763 55.552 54.840 -0.086 0.000 0.761 365 L CB -0.245 41.770 42.059 -0.073 0.000 0.921 365 L HN 0.145 nan 8.230 nan 0.000 0.444 366 Q N -0.224 119.544 119.800 -0.054 0.000 2.515 366 Q HA -0.173 4.167 4.340 0.000 0.000 0.212 366 Q C 1.470 177.451 176.000 -0.033 0.000 0.970 366 Q CA 0.471 56.253 55.803 -0.036 0.000 0.941 366 Q CB 0.234 28.954 28.738 -0.029 0.000 0.998 366 Q HN 0.472 nan 8.270 nan 0.000 0.518 367 E N 0.481 120.655 120.200 -0.043 0.000 2.307 367 E HA -0.027 4.323 4.350 0.000 0.000 0.195 367 E C 1.710 178.296 176.600 -0.024 0.000 0.975 367 E CA -0.037 56.344 56.400 -0.032 0.000 0.878 367 E CB 0.412 30.085 29.700 -0.045 0.000 0.845 367 E HN 0.181 nan 8.360 nan 0.000 0.488 368 R N 0.351 120.831 120.500 -0.034 0.000 2.080 368 R HA -0.055 4.285 4.340 0.000 0.000 0.222 368 R C 2.561 178.851 176.300 -0.017 0.000 1.107 368 R CA 1.197 57.281 56.100 -0.027 0.000 0.980 368 R CB -0.059 30.217 30.300 -0.040 0.000 0.879 368 R HN 0.169 nan 8.270 nan 0.000 0.439 369 V N -1.405 118.497 119.914 -0.019 0.000 2.343 369 V HA -0.149 3.971 4.120 0.000 0.000 0.247 369 V C 2.326 178.416 176.094 -0.007 0.000 1.051 369 V CA 1.748 64.040 62.300 -0.013 0.000 1.036 369 V CB -1.177 30.637 31.823 -0.015 0.000 0.654 369 V HN 0.227 nan 8.190 nan 0.000 0.451 370 A N 0.918 123.734 122.820 -0.007 0.000 1.869 370 A HA -0.286 4.034 4.320 0.000 0.000 0.218 370 A C 2.350 179.937 177.584 0.005 0.000 1.203 370 A CA 2.759 54.795 52.037 -0.002 0.000 0.638 370 A CB -0.741 18.258 19.000 -0.002 0.000 0.831 370 A HN 0.634 nan 8.150 nan 0.000 0.450 371 K N -1.260 119.147 120.400 0.011 0.000 1.985 371 K HA -0.097 4.223 4.320 0.000 0.000 0.210 371 K C 1.889 178.502 176.600 0.022 0.000 1.047 371 K CA 1.451 57.752 56.287 0.024 0.000 0.932 371 K CB -0.389 32.135 32.500 0.039 0.000 0.716 371 K HN 0.359 nan 8.250 nan 0.000 0.439 372 L N 0.157 121.389 121.223 0.015 0.000 2.362 372 L HA -0.045 4.295 4.340 0.000 0.000 0.219 372 L C 1.617 178.491 176.870 0.007 0.000 1.134 372 L CA 1.400 56.247 54.840 0.012 0.000 0.807 372 L CB -0.123 41.937 42.059 0.003 0.000 0.927 372 L HN 0.132 nan 8.230 nan 0.000 0.447 373 A N -2.095 120.727 122.820 0.004 0.000 2.287 373 A HA 0.406 4.726 4.320 0.000 0.000 0.214 373 A C 2.090 179.675 177.584 0.002 0.000 1.228 373 A CA 0.401 52.439 52.037 0.001 0.000 0.939 373 A CB -0.566 18.433 19.000 -0.002 0.000 0.992 373 A HN 0.366 nan 8.150 nan 0.000 0.502 374 G N 0.043 108.845 108.800 0.003 0.000 2.403 374 G HA2 0.369 4.329 3.960 0.000 0.000 0.216 374 G HA3 0.369 4.329 3.960 0.000 0.000 0.216 374 G C 1.173 176.074 174.900 0.001 0.000 1.154 374 G CA 0.774 45.875 45.100 0.002 0.000 0.784 374 G HN 1.702 nan 8.290 nan 0.000 0.538 375 G N -1.725 107.077 108.800 0.004 0.000 2.741 375 G HA2 0.041 4.001 3.960 0.000 0.000 0.222 375 G HA3 0.041 4.001 3.960 0.000 0.000 0.222 375 G C -0.665 174.234 174.900 -0.001 0.000 1.364 375 G CA -0.310 44.792 45.100 0.003 0.000 0.866 375 G HN 1.070 nan 8.290 nan 0.000 0.555 376 V N 0.151 120.063 119.914 -0.004 0.000 2.638 376 V HA 0.758 4.878 4.120 0.000 0.000 0.306 376 V C 0.769 176.855 176.094 -0.013 0.000 1.052 376 V CA -0.157 62.136 62.300 -0.011 0.000 0.885 376 V CB 1.348 33.163 31.823 -0.013 0.000 0.999 376 V HN 2.157 nan 8.190 nan 0.000 0.424 377 A N 4.007 126.817 122.820 -0.017 0.000 2.366 377 A HA 0.716 5.036 4.320 0.000 0.000 0.272 377 A C -0.390 177.181 177.584 -0.020 0.000 1.135 377 A CA -0.281 51.746 52.037 -0.017 0.000 0.804 377 A CB 0.656 19.645 19.000 -0.019 0.000 1.064 377 A HN 0.870 nan 8.150 nan 0.000 0.499 378 V N 5.074 124.977 119.914 -0.018 0.000 2.357 378 V HA 0.244 4.364 4.120 0.000 0.000 0.281 378 V C -0.189 175.895 176.094 -0.017 0.000 1.015 378 V CA -0.129 62.160 62.300 -0.019 0.000 0.827 378 V CB 0.758 32.571 31.823 -0.017 0.000 1.018 378 V HN 0.752 nan 8.190 nan 0.000 0.432 379 I N 4.498 125.057 120.570 -0.018 0.000 2.441 379 I HA 0.323 4.493 4.170 0.000 0.000 0.287 379 I C 0.406 176.515 176.117 -0.013 0.000 1.049 379 I CA -0.119 61.172 61.300 -0.016 0.000 1.381 379 I CB 0.831 38.821 38.000 -0.017 0.000 1.409 379 I HN 0.475 nan 8.210 nan 0.000 0.523 380 K N 6.095 126.488 120.400 -0.011 0.000 2.473 380 K HA 0.388 4.708 4.320 0.000 0.000 0.246 380 K C -0.858 175.738 176.600 -0.008 0.000 1.011 380 K CA -0.620 55.661 56.287 -0.009 0.000 0.984 380 K CB 1.717 34.212 32.500 -0.009 0.000 1.250 380 K HN 0.333 nan 8.250 nan 0.000 0.454 381 V N 2.183 122.093 119.914 -0.007 0.000 2.673 381 V HA 0.120 4.240 4.120 0.000 0.000 0.303 381 V C 0.908 176.999 176.094 -0.005 0.000 1.046 381 V CA 0.160 62.457 62.300 -0.005 0.000 1.126 381 V CB 0.988 32.809 31.823 -0.004 0.000 0.934 381 V HN 0.884 nan 8.190 nan 0.000 0.487 382 G N 2.616 111.413 108.800 -0.004 0.000 2.481 382 G HA2 0.863 4.823 3.960 0.000 0.000 0.315 382 G HA3 0.863 4.823 3.960 0.000 0.000 0.315 382 G C -0.772 174.126 174.900 -0.003 0.000 1.231 382 G CA 0.001 45.099 45.100 -0.004 0.000 0.968 382 G HN 1.192 nan 8.290 nan 0.000 0.482 383 A N -0.479 122.340 122.820 -0.003 0.000 2.557 383 A HA 0.841 5.161 4.320 0.000 0.000 0.292 383 A C 0.957 178.540 177.584 -0.003 0.000 1.139 383 A CA 0.457 52.492 52.037 -0.003 0.000 0.665 383 A CB 0.513 19.511 19.000 -0.002 0.000 1.285 383 A HN 1.865 nan 8.150 nan 0.000 0.433 384 A N -0.418 122.401 122.820 -0.002 0.000 1.873 384 A HA 0.368 4.688 4.320 0.000 0.000 0.215 384 A C 1.377 178.960 177.584 -0.002 0.000 1.186 384 A CA 2.517 54.553 52.037 -0.002 0.000 0.616 384 A CB -0.797 18.201 19.000 -0.002 0.000 0.823 384 A HN 2.116 nan 8.150 nan 0.000 0.442 385 T N -4.338 110.215 114.554 -0.002 0.000 2.930 385 T HA 0.461 4.811 4.350 0.000 0.000 0.290 385 T C 0.535 175.234 174.700 -0.002 0.000 1.052 385 T CA 0.095 62.194 62.100 -0.002 0.000 1.017 385 T CB 1.897 70.764 68.868 -0.002 0.000 1.137 385 T HN 0.314 nan 8.240 nan 0.000 0.511 386 E N 0.248 120.447 120.200 -0.002 0.000 2.160 386 E HA -0.146 4.204 4.350 0.000 0.000 0.195 386 E C 1.704 178.303 176.600 -0.001 0.000 0.991 386 E CA 1.375 57.774 56.400 -0.002 0.000 0.810 386 E CB -0.158 29.541 29.700 -0.001 0.000 0.742 386 E HN 0.558 nan 8.360 nan 0.000 0.466 387 V N 1.364 121.277 119.914 -0.001 0.000 2.229 387 V HA -0.252 3.868 4.120 0.000 0.000 0.243 387 V C 2.163 178.256 176.094 -0.001 0.000 1.042 387 V CA 2.211 64.511 62.300 -0.001 0.000 1.000 387 V CB -0.732 31.090 31.823 -0.001 0.000 0.637 387 V HN 0.288 nan 8.190 nan 0.000 0.446 388 E N -0.111 120.089 120.200 -0.001 0.000 2.086 388 E HA -0.324 4.026 4.350 0.000 0.000 0.200 388 E C 2.191 178.791 176.600 -0.001 0.000 1.012 388 E CA 1.887 58.286 56.400 -0.001 0.000 0.812 388 E CB -0.332 29.367 29.700 -0.002 0.000 0.743 388 E HN 0.444 nan 8.360 nan 0.000 0.453 389 M N 1.126 120.725 119.600 -0.001 0.000 2.086 389 M HA -0.166 4.314 4.480 0.000 0.000 0.261 389 M C 1.734 178.034 176.300 -0.001 0.000 1.067 389 M CA 1.646 56.945 55.300 -0.001 0.000 1.116 389 M CB -0.244 32.355 32.600 -0.002 0.000 1.348 389 M HN -0.119 nan 8.290 nan 0.000 0.407 390 K N 0.175 120.575 120.400 -0.000 0.000 2.209 390 K HA -0.141 4.179 4.320 0.000 0.000 0.204 390 K C 1.957 178.558 176.600 0.002 0.000 1.048 390 K CA 0.926 57.213 56.287 0.001 0.000 0.940 390 K CB -0.427 32.074 32.500 0.001 0.000 0.729 390 K HN 0.440 nan 8.250 nan 0.000 0.451 391 E N 1.467 121.668 120.200 0.001 0.000 2.046 391 E HA -0.149 4.201 4.350 0.000 0.000 0.190 391 E C 1.956 178.558 176.600 0.002 0.000 0.982 391 E CA 1.099 57.500 56.400 0.001 0.000 0.800 391 E CB 0.092 29.792 29.700 0.000 0.000 0.756 391 E HN 0.196 nan 8.360 nan 0.000 0.449 392 K N 1.121 121.521 120.400 0.001 0.000 2.032 392 K HA -0.188 4.132 4.320 0.000 0.000 0.209 392 K C 2.267 178.868 176.600 0.002 0.000 1.048 392 K CA 1.831 58.118 56.287 0.001 0.000 0.927 392 K CB -0.179 32.321 32.500 -0.001 0.000 0.712 392 K HN -0.085 nan 8.250 nan 0.000 0.441 393 K N 0.025 120.426 120.400 0.002 0.000 2.211 393 K HA -0.153 4.167 4.320 0.000 0.000 0.204 393 K C 1.741 178.346 176.600 0.008 0.000 1.047 393 K CA 1.197 57.486 56.287 0.003 0.000 0.935 393 K CB -0.116 32.385 32.500 0.002 0.000 0.728 393 K HN 0.265 nan 8.250 nan 0.000 0.452 394 A N 1.380 124.205 122.820 0.009 0.000 1.854 394 A HA -0.073 4.247 4.320 0.000 0.000 0.214 394 A C 2.080 179.674 177.584 0.017 0.000 1.192 394 A CA 1.076 53.121 52.037 0.014 0.000 0.611 394 A CB -0.404 18.601 19.000 0.009 0.000 0.832 394 A HN 0.307 nan 8.150 nan 0.000 0.442 395 R N -0.550 119.957 120.500 0.012 0.000 2.091 395 R HA -0.108 4.232 4.340 0.000 0.000 0.238 395 R C 2.031 178.340 176.300 0.016 0.000 1.136 395 R CA 1.533 57.641 56.100 0.012 0.000 0.959 395 R CB -0.571 29.732 30.300 0.006 0.000 0.856 395 R HN 0.387 nan 8.270 nan 0.000 0.437 396 V N 1.047 120.967 119.914 0.011 0.000 2.343 396 V HA -0.232 3.888 4.120 0.000 0.000 0.247 396 V C 2.003 178.104 176.094 0.012 0.000 1.051 396 V CA 1.782 64.086 62.300 0.006 0.000 1.036 396 V CB -0.416 31.406 31.823 -0.001 0.000 0.654 396 V HN 0.354 nan 8.190 nan 0.000 0.451 397 E N -0.339 119.874 120.200 0.021 0.000 2.160 397 E HA -0.229 4.121 4.350 0.000 0.000 0.195 397 E C 1.881 178.541 176.600 0.101 0.000 0.991 397 E CA 1.375 57.799 56.400 0.040 0.000 0.810 397 E CB -0.062 29.669 29.700 0.051 0.000 0.742 397 E HN 0.645 nan 8.360 nan 0.000 0.466 398 D N -0.238 120.215 120.400 0.087 0.000 2.162 398 D HA -0.035 4.605 4.640 0.000 0.000 0.205 398 D C 1.874 178.234 176.300 0.099 0.000 0.964 398 D CA 0.923 54.988 54.000 0.109 0.000 0.847 398 D CB -0.040 40.792 40.800 0.054 0.000 0.988 398 D HN 0.116 nan 8.370 nan 0.000 0.480 399 A N 1.112 123.963 122.820 0.052 0.000 1.972 399 A HA -0.125 4.195 4.320 0.000 0.000 0.219 399 A C 2.122 179.723 177.584 0.029 0.000 1.169 399 A CA 0.750 52.808 52.037 0.036 0.000 0.635 399 A CB -0.566 18.444 19.000 0.017 0.000 0.810 399 A HN 0.197 nan 8.150 nan 0.000 0.446 400 L N -1.294 119.934 121.223 0.008 0.000 2.362 400 L HA -0.102 4.238 4.340 0.000 0.000 0.219 400 L C 2.128 178.954 176.870 -0.074 0.000 1.134 400 L CA 1.633 56.446 54.840 -0.047 0.000 0.807 400 L CB -0.527 41.478 42.059 -0.091 0.000 0.927 400 L HN 0.478 nan 8.230 nan 0.000 0.447 401 H N -1.275 117.794 119.070 -0.002 0.000 2.370 401 H HA 0.195 4.751 4.556 0.000 0.000 0.304 401 H C 2.107 177.436 175.328 0.002 0.000 1.055 401 H CA 1.101 57.149 56.048 -0.001 0.000 1.373 401 H CB 0.021 29.783 29.762 -0.001 0.000 1.423 401 H HN 0.408 nan 8.280 nan 0.000 0.533 402 A N 0.311 123.217 122.820 0.142 0.000 1.902 402 A HA -0.163 4.157 4.320 0.000 0.000 0.217 402 A C 2.587 180.202 177.584 0.052 0.000 1.181 402 A CA 2.103 54.186 52.037 0.077 0.000 0.623 402 A CB -0.951 18.079 19.000 0.050 0.000 0.818 402 A HN 0.372 nan 8.150 nan 0.000 0.443 403 T N -0.422 114.154 114.554 0.037 0.000 2.652 403 T HA -0.159 4.191 4.350 0.000 0.000 0.267 403 T C 2.054 176.764 174.700 0.016 0.000 1.039 403 T CA 1.455 63.566 62.100 0.018 0.000 1.153 403 T CB -0.262 68.608 68.868 0.004 0.000 0.863 403 T HN 0.398 nan 8.240 nan 0.000 0.428 404 R N 0.725 121.234 120.500 0.014 0.000 2.193 404 R HA 0.063 4.403 4.340 0.000 0.000 0.229 404 R C 2.383 178.702 176.300 0.031 0.000 1.110 404 R CA 1.009 57.116 56.100 0.013 0.000 0.988 404 R CB -0.382 29.916 30.300 -0.003 0.000 0.871 404 R HN 0.384 nan 8.270 nan 0.000 0.458 405 A N -0.004 122.843 122.820 0.045 0.000 2.123 405 A HA 0.166 4.486 4.320 0.000 0.000 0.214 405 A C 2.030 179.632 177.584 0.031 0.000 1.152 405 A CA 1.015 53.079 52.037 0.045 0.000 0.728 405 A CB 0.068 19.101 19.000 0.055 0.000 0.814 405 A HN 0.296 nan 8.150 nan 0.000 0.464 406 A N -0.858 121.977 122.820 0.025 0.000 1.997 406 A HA 0.245 4.565 4.320 0.000 0.000 0.212 406 A C 1.940 179.534 177.584 0.015 0.000 1.178 406 A CA 1.059 53.107 52.037 0.019 0.000 0.698 406 A CB -0.425 18.585 19.000 0.016 0.000 0.842 406 A HN 0.246 nan 8.150 nan 0.000 0.458 407 V N 0.441 120.364 119.914 0.014 0.000 2.626 407 V HA -0.213 3.907 4.120 0.000 0.000 0.252 407 V C 2.290 178.391 176.094 0.012 0.000 1.067 407 V CA 2.188 64.494 62.300 0.011 0.000 1.081 407 V CB -0.567 31.260 31.823 0.007 0.000 0.686 407 V HN 0.612 nan 8.190 nan 0.000 0.468 408 E N -0.232 119.977 120.200 0.016 0.000 2.042 408 E HA -0.070 4.280 4.350 0.000 0.000 0.189 408 E C 1.497 178.107 176.600 0.015 0.000 0.974 408 E CA 0.966 57.375 56.400 0.016 0.000 0.806 408 E CB 0.094 29.807 29.700 0.021 0.000 0.769 408 E HN 0.623 nan 8.360 nan 0.000 0.451 409 E N -0.299 119.911 120.200 0.017 0.000 2.660 409 E HA 0.239 4.589 4.350 0.000 0.000 0.216 409 E C 0.113 176.721 176.600 0.014 0.000 0.986 409 E CA 0.051 56.460 56.400 0.014 0.000 1.037 409 E CB 1.606 31.315 29.700 0.015 0.000 1.041 409 E HN 0.249 nan 8.360 nan 0.000 0.480 410 G N 1.158 109.966 108.800 0.014 0.000 2.725 410 G HA2 -0.206 3.754 3.960 0.000 0.000 0.220 410 G HA3 -0.206 3.754 3.960 0.000 0.000 0.220 410 G C -0.309 174.599 174.900 0.014 0.000 1.357 410 G CA -0.428 44.680 45.100 0.013 0.000 0.866 410 G HN 0.534 nan 8.290 nan 0.000 0.548 411 V N -2.279 117.643 119.914 0.013 0.000 3.102 411 V HA 1.001 5.121 4.120 0.000 0.000 0.312 411 V C 0.490 176.591 176.094 0.013 0.000 1.135 411 V CA 0.395 62.703 62.300 0.013 0.000 1.022 411 V CB 1.580 33.409 31.823 0.011 0.000 1.056 411 V HN 2.559 nan 8.190 nan 0.000 0.436 412 V N -0.676 119.245 119.914 0.012 0.000 3.182 412 V HA 1.006 5.126 4.120 0.000 0.000 0.308 412 V C 0.371 176.471 176.094 0.010 0.000 1.240 412 V CA -0.719 61.590 62.300 0.014 0.000 1.063 412 V CB 1.155 32.987 31.823 0.015 0.000 1.076 412 V HN 2.253 nan 8.190 nan 0.000 0.446 413 A N 0.738 123.566 122.820 0.012 0.000 2.546 413 A HA 0.633 4.953 4.320 0.000 0.000 0.243 413 A C 0.926 178.510 177.584 -0.001 0.000 1.063 413 A CA 0.708 52.747 52.037 0.004 0.000 0.757 413 A CB -0.510 18.495 19.000 0.009 0.000 0.991 413 A HN 2.018 nan 8.150 nan 0.000 0.503 414 G N 0.982 109.775 108.800 -0.012 0.000 2.624 414 G HA2 0.484 4.444 3.960 0.000 0.000 0.217 414 G HA3 0.484 4.444 3.960 0.000 0.000 0.217 414 G C 1.212 176.100 174.900 -0.019 0.000 1.506 414 G CA 0.020 45.112 45.100 -0.014 0.000 1.072 414 G HN 2.217 nan 8.290 nan 0.000 0.568 415 G N -1.636 107.149 108.800 -0.025 0.000 2.269 415 G HA2 0.182 4.142 3.960 0.000 0.000 0.277 415 G HA3 0.182 4.142 3.960 0.000 0.000 0.277 415 G C 1.544 176.443 174.900 -0.003 0.000 1.008 415 G CA 1.421 46.507 45.100 -0.025 0.000 0.774 415 G HN 2.418 nan 8.290 nan 0.000 0.511 416 G N -2.532 106.269 108.800 0.001 0.000 2.168 416 G HA2 -0.142 3.818 3.960 0.000 0.000 0.263 416 G HA3 -0.142 3.818 3.960 0.000 0.000 0.263 416 G C 1.818 176.727 174.900 0.015 0.000 0.977 416 G CA 1.931 47.037 45.100 0.010 0.000 0.659 416 G HN 2.179 nan 8.290 nan 0.000 0.533 417 V N -2.083 117.839 119.914 0.013 0.000 2.453 417 V HA 0.353 4.473 4.120 0.000 0.000 0.247 417 V C 2.899 179.009 176.094 0.028 0.000 1.048 417 V CA 1.907 64.220 62.300 0.022 0.000 1.049 417 V CB -1.043 30.790 31.823 0.017 0.000 0.672 417 V HN 1.458 nan 8.190 nan 0.000 0.457 418 A N 1.041 123.874 122.820 0.021 0.000 1.927 418 A HA -0.180 4.140 4.320 0.000 0.000 0.220 418 A C 2.247 179.845 177.584 0.024 0.000 1.185 418 A CA 2.638 54.689 52.037 0.023 0.000 0.639 418 A CB -0.778 18.232 19.000 0.018 0.000 0.820 418 A HN 0.631 nan 8.150 nan 0.000 0.451 419 L N -1.290 119.946 121.223 0.021 0.000 2.044 419 L HA -0.041 4.299 4.340 0.000 0.000 0.205 419 L C 2.484 179.368 176.870 0.023 0.000 1.075 419 L CA 1.251 56.102 54.840 0.020 0.000 0.747 419 L CB -0.367 41.702 42.059 0.017 0.000 0.903 419 L HN 0.443 nan 8.230 nan 0.000 0.435 420 I N -0.184 120.402 120.570 0.027 0.000 2.423 420 I HA -0.317 3.853 4.170 0.000 0.000 0.254 420 I C 2.759 178.898 176.117 0.038 0.000 1.151 420 I CA 0.968 62.287 61.300 0.031 0.000 1.421 420 I CB 0.035 38.055 38.000 0.034 0.000 1.079 420 I HN 0.224 nan 8.210 nan 0.000 0.431 421 R N 0.289 120.815 120.500 0.043 0.000 2.055 421 R HA -0.088 4.252 4.340 0.000 0.000 0.228 421 R C 2.061 178.382 176.300 0.036 0.000 1.143 421 R CA 2.008 58.137 56.100 0.049 0.000 0.945 421 R CB -1.084 29.248 30.300 0.055 0.000 0.841 421 R HN 0.177 nan 8.270 nan 0.000 0.429 422 V N 1.305 121.236 119.914 0.029 0.000 2.439 422 V HA -0.299 3.821 4.120 0.000 0.000 0.253 422 V C 2.298 178.404 176.094 0.019 0.000 1.074 422 V CA 2.115 64.428 62.300 0.022 0.000 1.076 422 V CB -0.900 30.933 31.823 0.018 0.000 0.664 422 V HN 0.602 nan 8.190 nan 0.000 0.461 423 A N 0.228 123.060 122.820 0.021 0.000 1.872 423 A HA -0.174 4.146 4.320 0.000 0.000 0.214 423 A C 2.512 180.107 177.584 0.018 0.000 1.187 423 A CA 1.990 54.038 52.037 0.018 0.000 0.614 423 A CB -0.790 18.221 19.000 0.018 0.000 0.826 423 A HN 0.707 nan 8.150 nan 0.000 0.442 424 S N -0.249 115.465 115.700 0.024 0.000 2.442 424 S HA -0.114 4.356 4.470 0.000 0.000 0.236 424 S C 1.613 176.225 174.600 0.019 0.000 1.007 424 S CA 1.482 59.696 58.200 0.023 0.000 0.965 424 S CB -0.323 62.895 63.200 0.031 0.000 0.773 424 S HN 0.566 nan 8.310 nan 0.000 0.504 425 K N 0.376 120.788 120.400 0.019 0.000 2.486 425 K HA 0.278 4.598 4.320 0.000 0.000 0.194 425 K C 0.661 177.268 176.600 0.011 0.000 1.033 425 K CA 0.422 56.718 56.287 0.016 0.000 1.004 425 K CB -0.083 32.427 32.500 0.017 0.000 0.798 425 K HN 0.429 nan 8.250 nan 0.000 0.495 426 L N -0.369 120.860 121.223 0.011 0.000 3.066 426 L HA 0.248 4.588 4.340 0.000 0.000 0.265 426 L C 1.439 178.313 176.870 0.007 0.000 1.232 426 L CA -0.270 54.575 54.840 0.008 0.000 1.031 426 L CB 0.587 42.650 42.059 0.007 0.000 1.379 426 L HN 0.005 nan 8.230 nan 0.000 0.563 427 A N -0.191 122.633 122.820 0.008 0.000 2.070 427 A HA -0.186 4.134 4.320 0.000 0.000 0.220 427 A C 1.646 179.233 177.584 0.005 0.000 1.159 427 A CA 1.718 53.759 52.037 0.007 0.000 0.656 427 A CB -0.196 18.809 19.000 0.007 0.000 0.800 427 A HN 0.338 nan 8.150 nan 0.000 0.453 428 D N -1.068 119.335 120.400 0.004 0.000 2.289 428 D HA 0.063 4.703 4.640 0.000 0.000 0.207 428 D C 0.606 176.907 176.300 0.003 0.000 0.966 428 D CA -0.033 53.969 54.000 0.003 0.000 0.868 428 D CB -0.225 40.576 40.800 0.003 0.000 0.943 428 D HN 0.332 nan 8.370 nan 0.000 0.514 429 L N 1.684 122.909 121.223 0.003 0.000 2.578 429 L HA 0.067 4.407 4.340 0.000 0.000 0.279 429 L C 0.184 177.055 176.870 0.002 0.000 1.227 429 L CA 0.718 55.560 54.840 0.003 0.000 0.900 429 L CB -0.006 42.054 42.059 0.003 0.000 1.144 429 L HN -0.125 nan 8.230 nan 0.000 0.496 430 R N 3.009 123.510 120.500 0.002 0.000 2.869 430 R HA 0.786 5.126 4.340 0.000 0.000 0.263 430 R C -0.333 175.968 176.300 0.001 0.000 1.066 430 R CA -0.356 55.745 56.100 0.002 0.000 0.960 430 R CB 1.449 31.750 30.300 0.001 0.000 1.221 430 R HN 0.811 nan 8.270 nan 0.000 0.474 431 G N -0.608 108.193 108.800 0.001 0.000 3.211 431 G HA2 0.234 4.194 3.960 0.000 0.000 0.262 431 G HA3 0.234 4.194 3.960 0.000 0.000 0.262 431 G C -0.018 174.883 174.900 0.001 0.000 1.352 431 G CA -0.346 44.754 45.100 0.001 0.000 1.004 431 G HN 0.391 nan 8.290 nan 0.000 0.559 432 Q N -0.686 119.115 119.800 0.001 0.000 2.291 432 Q HA -0.021 4.319 4.340 0.000 0.000 0.206 432 Q C 0.277 176.277 176.000 0.001 0.000 0.976 432 Q CA 1.435 57.239 55.803 0.001 0.000 0.875 432 Q CB -0.078 28.660 28.738 0.001 0.000 0.927 432 Q HN 0.603 nan 8.270 nan 0.000 0.450 433 N N -2.758 115.943 118.700 0.001 0.000 2.927 433 N HA 0.035 4.775 4.740 0.000 0.000 0.248 433 N C -0.247 175.263 175.510 0.001 0.000 1.443 433 N CA -0.520 52.531 53.050 0.001 0.000 0.870 433 N CB 0.572 39.060 38.487 0.001 0.000 1.444 433 N HN -0.299 nan 8.380 nan 0.000 0.519 434 E N -0.199 120.002 120.200 0.001 0.000 2.118 434 E HA -0.184 4.166 4.350 0.000 0.000 0.195 434 E C 0.472 177.073 176.600 0.002 0.000 0.992 434 E CA 1.805 58.206 56.400 0.002 0.000 0.804 434 E CB -0.247 29.454 29.700 0.001 0.000 0.741 434 E HN 0.592 nan 8.360 nan 0.000 0.458 435 D N 0.048 120.449 120.400 0.002 0.000 2.087 435 D HA -0.182 4.458 4.640 0.000 0.000 0.192 435 D C 1.959 178.261 176.300 0.003 0.000 0.993 435 D CA 1.189 55.190 54.000 0.003 0.000 0.828 435 D CB -0.396 40.406 40.800 0.003 0.000 0.968 435 D HN 0.340 nan 8.370 nan 0.000 0.448 436 Q N 0.186 119.988 119.800 0.003 0.000 2.197 436 Q HA -0.153 4.187 4.340 0.000 0.000 0.207 436 Q C 1.875 177.876 176.000 0.002 0.000 0.984 436 Q CA 0.886 56.691 55.803 0.002 0.000 0.869 436 Q CB 0.001 28.740 28.738 0.002 0.000 0.906 436 Q HN 0.260 nan 8.270 nan 0.000 0.426 437 N N -0.269 118.432 118.700 0.002 0.000 2.120 437 N HA -0.126 4.614 4.740 0.000 0.000 0.188 437 N C 1.852 177.364 175.510 0.003 0.000 1.024 437 N CA 1.092 54.144 53.050 0.002 0.000 0.852 437 N CB -0.342 38.147 38.487 0.002 0.000 1.003 437 N HN 0.065 nan 8.380 nan 0.000 0.424 438 V N 1.208 121.124 119.914 0.003 0.000 2.287 438 V HA -0.184 3.936 4.120 0.000 0.000 0.248 438 V C 2.508 178.604 176.094 0.004 0.000 1.053 438 V CA 2.048 64.350 62.300 0.003 0.000 1.027 438 V CB -1.347 30.478 31.823 0.003 0.000 0.646 438 V HN 0.343 nan 8.190 nan 0.000 0.447 439 G N -0.058 108.744 108.800 0.004 0.000 2.513 439 G HA2 -0.301 3.659 3.960 0.000 0.000 0.219 439 G HA3 -0.301 3.659 3.960 0.000 0.000 0.219 439 G C 1.514 176.416 174.900 0.004 0.000 1.160 439 G CA 1.468 46.570 45.100 0.004 0.000 0.767 439 G HN 0.437 nan 8.290 nan 0.000 0.571 440 I N 0.747 121.319 120.570 0.003 0.000 2.090 440 I HA -0.092 4.078 4.170 0.000 0.000 0.236 440 I C 2.642 178.762 176.117 0.004 0.000 1.064 440 I CA 1.300 62.602 61.300 0.003 0.000 1.324 440 I CB -0.155 37.847 38.000 0.003 0.000 1.044 440 I HN -0.047 nan 8.210 nan 0.000 0.399 441 K N 0.153 120.556 120.400 0.004 0.000 2.218 441 K HA -0.123 4.197 4.320 0.000 0.000 0.205 441 K C 2.156 178.759 176.600 0.006 0.000 1.046 441 K CA 1.070 57.360 56.287 0.005 0.000 0.933 441 K CB -0.754 31.749 32.500 0.004 0.000 0.728 441 K HN 0.244 nan 8.250 nan 0.000 0.454 442 V N 1.195 121.112 119.914 0.006 0.000 2.283 442 V HA -0.206 3.914 4.120 0.000 0.000 0.243 442 V C 2.444 178.542 176.094 0.007 0.000 1.039 442 V CA 1.847 64.150 62.300 0.006 0.000 1.016 442 V CB -0.628 31.198 31.823 0.006 0.000 0.650 442 V HN 0.299 nan 8.190 nan 0.000 0.449 443 A N -0.184 122.640 122.820 0.007 0.000 1.883 443 A HA -0.179 4.141 4.320 0.000 0.000 0.217 443 A C 2.189 179.778 177.584 0.008 0.000 1.186 443 A CA 1.910 53.952 52.037 0.007 0.000 0.624 443 A CB -0.594 18.409 19.000 0.005 0.000 0.822 443 A HN 0.498 nan 8.150 nan 0.000 0.444 444 L N -1.310 119.917 121.223 0.008 0.000 2.012 444 L HA -0.214 4.126 4.340 0.000 0.000 0.210 444 L C 2.832 179.708 176.870 0.010 0.000 1.073 444 L CA 1.946 56.791 54.840 0.009 0.000 0.748 444 L CB -0.617 41.447 42.059 0.008 0.000 0.891 444 L HN 0.443 nan 8.230 nan 0.000 0.431 445 R N 0.207 120.712 120.500 0.009 0.000 2.091 445 R HA -0.199 4.141 4.340 0.000 0.000 0.238 445 R C 2.340 178.646 176.300 0.009 0.000 1.136 445 R CA 1.561 57.666 56.100 0.009 0.000 0.959 445 R CB -0.238 30.066 30.300 0.007 0.000 0.856 445 R HN 0.383 nan 8.270 nan 0.000 0.437 446 A N 0.549 123.374 122.820 0.010 0.000 1.933 446 A HA -0.150 4.170 4.320 0.000 0.000 0.218 446 A C 2.066 179.657 177.584 0.012 0.000 1.175 446 A CA 1.379 53.422 52.037 0.010 0.000 0.628 446 A CB -0.387 18.619 19.000 0.011 0.000 0.814 446 A HN 0.342 nan 8.150 nan 0.000 0.444 447 M N -0.429 119.178 119.600 0.012 0.000 2.623 447 M HA -0.139 4.341 4.480 0.000 0.000 0.258 447 M C 1.302 177.610 176.300 0.015 0.000 1.067 447 M CA 1.044 56.352 55.300 0.014 0.000 1.068 447 M CB -0.255 32.353 32.600 0.014 0.000 1.409 447 M HN 0.482 nan 8.290 nan 0.000 0.504 448 E N -0.187 120.021 120.200 0.013 0.000 2.400 448 E HA 0.063 4.413 4.350 0.000 0.000 0.195 448 E C 2.065 178.671 176.600 0.011 0.000 1.012 448 E CA 0.357 56.765 56.400 0.013 0.000 0.875 448 E CB 0.122 29.829 29.700 0.012 0.000 0.859 448 E HN 0.489 nan 8.360 nan 0.000 0.498 449 A N 2.570 125.396 122.820 0.011 0.000 1.869 449 A HA -0.189 4.131 4.320 0.000 0.000 0.218 449 A C -0.333 177.257 177.584 0.010 0.000 1.203 449 A CA 1.633 53.676 52.037 0.010 0.000 0.638 449 A CB -1.667 17.339 19.000 0.010 0.000 0.831 449 A HN 0.127 nan 8.150 nan 0.000 0.450 450 P HA -0.204 nan 4.420 nan 0.000 0.215 450 P C 1.837 179.145 177.300 0.013 0.000 1.163 450 P CA 1.282 64.388 63.100 0.011 0.000 0.894 450 P CB -0.154 31.553 31.700 0.012 0.000 0.791 451 L N -0.948 120.284 121.223 0.015 0.000 1.994 451 L HA -0.174 4.166 4.340 0.000 0.000 0.208 451 L C 2.497 179.377 176.870 0.016 0.000 1.071 451 L CA 1.715 56.567 54.840 0.020 0.000 0.745 451 L CB -0.342 41.729 42.059 0.020 0.000 0.892 451 L HN -0.178 nan 8.230 nan 0.000 0.431 452 R N -0.752 119.753 120.500 0.009 0.000 2.170 452 R HA -0.255 4.085 4.340 0.000 0.000 0.242 452 R C 2.179 178.484 176.300 0.007 0.000 1.145 452 R CA 1.673 57.775 56.100 0.003 0.000 0.984 452 R CB -0.181 30.120 30.300 0.002 0.000 0.869 452 R HN 0.429 nan 8.270 nan 0.000 0.455 453 Q N 0.751 120.557 119.800 0.010 0.000 2.089 453 Q HA 0.002 4.342 4.340 0.000 0.000 0.195 453 Q C 1.806 177.814 176.000 0.014 0.000 0.963 453 Q CA 1.253 57.061 55.803 0.010 0.000 0.834 453 Q CB 0.014 28.757 28.738 0.008 0.000 0.906 453 Q HN 0.279 nan 8.270 nan 0.000 0.452 454 I N -0.374 120.207 120.570 0.017 0.000 2.118 454 I HA -0.316 3.854 4.170 0.000 0.000 0.241 454 I C 2.115 178.254 176.117 0.037 0.000 1.070 454 I CA 1.180 62.493 61.300 0.021 0.000 1.327 454 I CB -0.502 37.512 38.000 0.022 0.000 1.034 454 I HN 0.087 nan 8.210 nan 0.000 0.405 455 V N 0.689 120.634 119.914 0.052 0.000 2.255 455 V HA -0.305 3.815 4.120 0.000 0.000 0.247 455 V C 2.434 178.550 176.094 0.037 0.000 1.051 455 V CA 1.978 64.317 62.300 0.065 0.000 1.018 455 V CB -0.546 31.289 31.823 0.019 0.000 0.641 455 V HN 0.355 nan 8.190 nan 0.000 0.445 456 L N 0.787 122.021 121.223 0.020 0.000 2.042 456 L HA -0.183 4.157 4.340 0.000 0.000 0.210 456 L C 2.185 179.064 176.870 0.015 0.000 1.076 456 L CA 1.970 56.818 54.840 0.013 0.000 0.749 456 L CB -1.153 40.911 42.059 0.008 0.000 0.893 456 L HN 0.350 nan 8.230 nan 0.000 0.432 457 N N -0.944 117.764 118.700 0.014 0.000 2.272 457 N HA -0.162 4.578 4.740 0.000 0.000 0.185 457 N C 1.399 176.916 175.510 0.012 0.000 1.014 457 N CA 1.581 54.637 53.050 0.010 0.000 0.870 457 N CB -0.545 37.946 38.487 0.006 0.000 0.975 457 N HN 0.428 nan 8.380 nan 0.000 0.433 458 C N 0.356 119.669 119.300 0.022 0.000 2.559 458 C HA 0.334 4.794 4.460 0.000 0.000 0.300 458 C C 1.467 176.474 174.990 0.029 0.000 1.288 458 C CA -0.471 58.563 59.018 0.026 0.000 1.699 458 C CB -1.235 26.531 27.740 0.044 0.000 1.819 458 C HN 0.531 nan 8.230 nan 0.000 0.600 459 G N 1.857 110.670 108.800 0.022 0.000 2.341 459 G HA2 -0.198 3.762 3.960 0.000 0.000 0.292 459 G HA3 -0.198 3.762 3.960 0.000 0.000 0.292 459 G C 0.034 174.949 174.900 0.025 0.000 1.021 459 G CA 0.394 45.506 45.100 0.020 0.000 0.905 459 G HN 0.547 nan 8.290 nan 0.000 0.508 460 E N -0.851 119.366 120.200 0.027 0.000 2.803 460 E HA 0.595 4.945 4.350 0.000 0.000 0.250 460 E C 0.285 176.888 176.600 0.006 0.000 1.102 460 E CA -0.940 55.474 56.400 0.024 0.000 1.017 460 E CB 0.552 30.269 29.700 0.029 0.000 1.346 460 E HN 0.090 nan 8.360 nan 0.000 0.532 461 K N 1.461 121.855 120.400 -0.008 0.000 2.414 461 K HA 0.297 4.617 4.320 0.000 0.000 0.251 461 K C -2.230 174.351 176.600 -0.033 0.000 1.037 461 K CA -2.260 54.018 56.287 -0.014 0.000 0.980 461 K CB 0.851 33.345 32.500 -0.009 0.000 1.280 461 K HN 0.003 nan 8.250 nan 0.000 0.451 462 P HA -0.207 nan 4.420 nan 0.000 0.215 462 P C 0.808 178.088 177.300 -0.033 0.000 1.163 462 P CA 1.202 64.284 63.100 -0.030 0.000 0.894 462 P CB 0.320 32.012 31.700 -0.013 0.000 0.791 463 S N -0.958 114.731 115.700 -0.019 0.000 2.353 463 S HA -0.149 4.321 4.470 0.000 0.000 0.222 463 S C 1.944 176.535 174.600 -0.015 0.000 1.035 463 S CA 1.558 59.751 58.200 -0.013 0.000 1.025 463 S CB -1.246 61.950 63.200 -0.007 0.000 0.902 463 S HN -0.119 nan 8.310 nan 0.000 0.440 464 V N 1.548 121.451 119.914 -0.018 0.000 2.220 464 V HA -0.219 3.901 4.120 0.000 0.000 0.250 464 V C 2.330 178.417 176.094 -0.011 0.000 1.056 464 V CA 2.085 64.377 62.300 -0.012 0.000 1.016 464 V CB -1.059 30.758 31.823 -0.010 0.000 0.639 464 V HN 0.381 nan 8.190 nan 0.000 0.446 465 V N 0.240 120.113 119.914 -0.067 0.000 2.453 465 V HA -0.294 3.826 4.120 0.000 0.000 0.252 465 V C 2.615 178.665 176.094 -0.073 0.000 1.068 465 V CA 2.113 64.319 62.300 -0.156 0.000 1.070 465 V CB -1.286 30.272 31.823 -0.442 0.000 0.664 465 V HN 0.589 nan 8.190 nan 0.000 0.461 466 A N 0.364 123.161 122.820 -0.040 0.000 1.872 466 A HA -0.200 4.120 4.320 0.000 0.000 0.214 466 A C 2.059 179.665 177.584 0.036 0.000 1.187 466 A CA 1.923 53.960 52.037 -0.001 0.000 0.614 466 A CB -0.746 18.252 19.000 -0.002 0.000 0.826 466 A HN 0.649 nan 8.150 nan 0.000 0.442 467 N N -0.418 118.300 118.700 0.030 0.000 2.104 467 N HA -0.129 4.611 4.740 0.000 0.000 0.190 467 N C 1.673 177.222 175.510 0.066 0.000 1.024 467 N CA 1.856 54.928 53.050 0.037 0.000 0.853 467 N CB -0.317 38.181 38.487 0.018 0.000 1.008 467 N HN 0.480 nan 8.380 nan 0.000 0.424 468 T N 0.507 115.115 114.554 0.089 0.000 2.684 468 T HA -0.112 4.238 4.350 0.000 0.000 0.267 468 T C 2.127 176.987 174.700 0.266 0.000 1.036 468 T CA 1.055 63.240 62.100 0.142 0.000 1.148 468 T CB -0.498 68.476 68.868 0.176 0.000 0.863 468 T HN 0.012 nan 8.240 nan 0.000 0.436 469 V N 1.466 121.540 119.914 0.266 0.000 2.490 469 V HA -0.129 3.991 4.120 0.000 0.000 0.250 469 V C 2.389 178.617 176.094 0.223 0.000 1.061 469 V CA 1.440 63.906 62.300 0.277 0.000 1.064 469 V CB -0.520 31.386 31.823 0.138 0.000 0.670 469 V HN 0.465 nan 8.190 nan 0.000 0.461 470 K N 0.098 120.580 120.400 0.136 0.000 2.365 470 K HA -0.010 4.310 4.320 0.000 0.000 0.199 470 K C 2.132 178.780 176.600 0.079 0.000 1.045 470 K CA 0.915 57.257 56.287 0.092 0.000 0.962 470 K CB -0.246 32.288 32.500 0.057 0.000 0.759 470 K HN 0.573 nan 8.250 nan 0.000 0.469 471 G N 1.338 110.192 108.800 0.089 0.000 2.404 471 G HA2 -0.097 3.863 3.960 0.000 0.000 0.214 471 G HA3 -0.097 3.863 3.960 0.000 0.000 0.214 471 G C 0.896 175.795 174.900 -0.002 0.000 1.189 471 G CA 0.591 45.711 45.100 0.034 0.000 0.789 471 G HN 0.373 nan 8.290 nan 0.000 0.533 472 G N -0.655 108.150 108.800 0.009 0.000 2.527 472 G HA2 0.389 4.349 3.960 0.000 0.000 0.279 472 G HA3 0.389 4.349 3.960 0.000 0.000 0.279 472 G C -0.908 173.999 174.900 0.012 0.000 1.374 472 G CA 0.304 45.319 45.100 -0.142 0.000 1.053 472 G HN 0.351 nan 8.290 nan 0.000 0.539 473 D N -3.645 116.765 120.400 0.016 0.000 2.570 473 D HA 0.534 5.174 4.640 0.000 0.000 0.244 473 D C 0.636 176.994 176.300 0.096 0.000 1.178 473 D CA 1.098 55.130 54.000 0.053 0.000 0.881 473 D CB 1.491 42.296 40.800 0.009 0.000 1.453 473 D HN 1.180 nan 8.370 nan 0.000 0.447 474 G N 1.678 110.526 108.800 0.080 0.000 2.514 474 G HA2 -0.286 3.674 3.960 0.000 0.000 0.265 474 G HA3 -0.286 3.674 3.960 0.000 0.000 0.265 474 G C 0.099 175.060 174.900 0.101 0.000 1.150 474 G CA 0.308 45.456 45.100 0.080 0.000 0.959 474 G HN 0.588 nan 8.290 nan 0.000 0.556 475 N N 0.147 118.911 118.700 0.106 0.000 2.376 475 N HA 0.354 5.094 4.740 0.000 0.000 0.249 475 N C -0.261 175.322 175.510 0.123 0.000 1.140 475 N CA -0.089 53.015 53.050 0.091 0.000 0.870 475 N CB 0.366 38.887 38.487 0.057 0.000 1.124 475 N HN 0.535 nan 8.380 nan 0.000 0.505 476 Y N 1.128 121.459 120.300 0.053 0.000 2.587 476 Y HA 0.429 4.979 4.550 0.000 0.000 0.344 476 Y C 0.876 176.834 175.900 0.098 0.000 1.061 476 Y CA -0.284 57.863 58.100 0.078 0.000 1.370 476 Y CB -0.235 38.273 38.460 0.080 0.000 1.163 476 Y HN 0.137 nan 8.280 nan 0.000 0.527 477 G N 4.118 112.732 108.800 -0.311 0.000 3.252 477 G HA2 0.293 4.253 3.960 0.000 0.000 0.181 477 G HA3 0.293 4.253 3.960 0.000 0.000 0.181 477 G C -2.144 172.589 174.900 -0.278 0.000 1.187 477 G CA -0.687 44.284 45.100 -0.215 0.000 0.886 477 G HN 0.485 nan 8.290 nan 0.000 0.615 478 Y N 1.137 121.224 120.300 -0.355 0.000 2.359 478 Y HA 0.425 4.975 4.550 0.000 0.000 0.336 478 Y C -0.503 175.204 175.900 -0.320 0.000 1.098 478 Y CA -1.423 56.375 58.100 -0.503 0.000 1.272 478 Y CB 0.893 38.971 38.460 -0.635 0.000 1.112 478 Y HN 0.417 nan 8.280 nan 0.000 0.481 479 N N 4.367 122.725 118.700 -0.571 0.000 2.406 479 N HA 0.077 4.817 4.740 0.000 0.000 0.274 479 N C 0.818 175.833 175.510 -0.825 0.000 1.249 479 N CA 0.949 53.704 53.050 -0.491 0.000 0.951 479 N CB 1.277 39.576 38.487 -0.313 0.000 1.241 479 N HN 0.844 nan 8.380 nan 0.000 0.485 480 A N 3.653 126.045 122.820 -0.713 0.000 2.172 480 A HA 0.026 4.346 4.320 0.000 0.000 0.216 480 A C 1.980 179.351 177.584 -0.356 0.000 1.154 480 A CA 1.272 52.915 52.037 -0.657 0.000 0.701 480 A CB -0.304 18.564 19.000 -0.220 0.000 0.789 480 A HN 0.723 nan 8.150 nan 0.000 0.465 481 A N -0.426 122.224 122.820 -0.283 0.000 2.014 481 A HA 0.056 4.376 4.320 0.000 0.000 0.218 481 A C 1.957 179.447 177.584 -0.156 0.000 1.163 481 A CA 1.913 53.848 52.037 -0.170 0.000 0.652 481 A CB -0.496 18.426 19.000 -0.130 0.000 0.808 481 A HN 0.807 nan 8.150 nan 0.000 0.449 482 T N -4.016 110.412 114.554 -0.211 0.000 3.231 482 T HA 0.381 4.731 4.350 0.000 0.000 0.292 482 T C 0.016 174.627 174.700 -0.149 0.000 1.001 482 T CA 0.530 62.543 62.100 -0.144 0.000 0.920 482 T CB -0.177 68.624 68.868 -0.111 0.000 1.140 482 T HN 0.397 nan 8.240 nan 0.000 0.525 483 E N 0.952 121.004 120.200 -0.247 0.000 2.670 483 E HA -0.224 4.127 4.350 0.000 0.000 0.257 483 E C -0.346 176.267 176.600 0.021 0.000 1.186 483 E CA 1.214 57.546 56.400 -0.112 0.000 0.734 483 E CB -1.593 28.155 29.700 0.080 0.000 1.325 483 E HN 0.805 nan 8.360 nan 0.000 0.426 484 E N -0.057 120.066 120.200 -0.128 0.000 2.176 484 E HA 0.307 4.657 4.350 0.000 0.000 0.267 484 E C -0.435 176.181 176.600 0.026 0.000 0.893 484 E CA -0.828 55.614 56.400 0.070 0.000 0.761 484 E CB 0.889 30.616 29.700 0.045 0.000 1.133 484 E HN 0.030 nan 8.360 nan 0.000 0.409 485 Y N 1.188 121.525 120.300 0.062 0.000 2.258 485 Y HA 0.494 5.044 4.550 0.000 0.000 0.345 485 Y C 1.386 177.223 175.900 -0.103 0.000 1.303 485 Y CA 0.547 58.611 58.100 -0.060 0.000 1.537 485 Y CB 0.628 39.060 38.460 -0.045 0.000 1.383 485 Y HN 0.745 nan 8.280 nan 0.000 0.606 486 G N -0.081 108.646 108.800 -0.121 0.000 2.302 486 G HA2 -0.072 3.888 3.960 0.000 0.000 0.264 486 G HA3 -0.072 3.888 3.960 0.000 0.000 0.264 486 G C -1.611 173.292 174.900 0.005 0.000 1.335 486 G CA -1.063 44.074 45.100 0.061 0.000 0.982 486 G HN 0.649 nan 8.290 nan 0.000 0.473 487 N N 0.946 119.693 118.700 0.080 0.000 2.458 487 N HA 0.242 4.982 4.740 0.000 0.000 0.270 487 N C 1.660 177.172 175.510 0.003 0.000 1.102 487 N CA -0.499 52.590 53.050 0.065 0.000 0.967 487 N CB 0.954 39.487 38.487 0.076 0.000 1.078 487 N HN 0.395 nan 8.380 nan 0.000 0.471 488 M N 3.441 123.033 119.600 -0.013 0.000 2.132 488 M HA -0.099 4.381 4.480 0.000 0.000 0.263 488 M C 1.670 177.959 176.300 -0.017 0.000 1.065 488 M CA 0.928 56.208 55.300 -0.034 0.000 1.122 488 M CB -0.615 31.964 32.600 -0.035 0.000 1.365 488 M HN 0.545 nan 8.290 nan 0.000 0.411 489 I N 0.613 121.183 120.570 0.001 0.000 2.226 489 I HA -0.264 3.906 4.170 0.000 0.000 0.245 489 I C 1.738 177.856 176.117 0.001 0.000 1.100 489 I CA 1.603 62.904 61.300 0.003 0.000 1.374 489 I CB -1.574 36.433 38.000 0.012 0.000 1.057 489 I HN 0.223 nan 8.210 nan 0.000 0.413 490 D N 0.377 120.781 120.400 0.007 0.000 2.144 490 D HA -0.113 4.527 4.640 0.000 0.000 0.200 490 D C 2.298 178.596 176.300 -0.003 0.000 0.978 490 D CA 0.946 54.950 54.000 0.007 0.000 0.833 490 D CB -0.123 40.688 40.800 0.018 0.000 0.961 490 D HN 0.261 nan 8.370 nan 0.000 0.470 491 M N -1.006 118.585 119.600 -0.014 0.000 2.562 491 M HA 0.106 4.586 4.480 0.000 0.000 0.257 491 M C 1.040 177.322 176.300 -0.032 0.000 1.099 491 M CA 0.856 56.139 55.300 -0.028 0.000 1.099 491 M CB 0.346 32.916 32.600 -0.050 0.000 1.427 491 M HN 0.164 nan 8.290 nan 0.000 0.489 492 G N 1.764 110.550 108.800 -0.024 0.000 2.132 492 G HA2 -0.215 3.745 3.960 0.000 0.000 0.228 492 G HA3 -0.215 3.745 3.960 0.000 0.000 0.228 492 G C -0.015 174.867 174.900 -0.029 0.000 1.000 492 G CA -0.451 44.635 45.100 -0.023 0.000 0.693 492 G HN 0.472 nan 8.290 nan 0.000 0.515 493 I N 1.229 121.777 120.570 -0.036 0.000 2.388 493 I HA 0.511 4.681 4.170 0.000 0.000 0.281 493 I C 0.220 176.320 176.117 -0.028 0.000 1.046 493 I CA -0.804 60.471 61.300 -0.042 0.000 1.187 493 I CB 0.547 38.507 38.000 -0.066 0.000 1.351 493 I HN 0.240 nan 8.210 nan 0.000 0.472 494 L N 3.693 124.905 121.223 -0.018 0.000 2.403 494 L HA 0.809 5.149 4.340 0.000 0.000 0.253 494 L C -1.378 175.490 176.870 -0.004 0.000 1.045 494 L CA -0.684 54.151 54.840 -0.008 0.000 0.845 494 L CB 1.694 43.752 42.059 -0.003 0.000 1.447 494 L HN 0.031 nan 8.230 nan 0.000 0.411 495 D N -0.383 120.018 120.400 0.002 0.000 2.879 495 D HA 0.439 5.079 4.640 0.000 0.000 0.236 495 D C -2.826 173.481 176.300 0.011 0.000 1.171 495 D CA -1.145 52.858 54.000 0.006 0.000 0.868 495 D CB 2.612 43.416 40.800 0.006 0.000 1.598 495 D HN 0.373 nan 8.370 nan 0.000 0.497 496 P HA 0.033 nan 4.420 nan 0.000 0.262 496 P C 0.915 178.227 177.300 0.019 0.000 1.199 496 P CA 0.203 63.315 63.100 0.019 0.000 0.763 496 P CB 0.572 32.287 31.700 0.026 0.000 0.790 497 T N 3.062 117.626 114.554 0.017 0.000 2.680 497 T HA -0.263 4.087 4.350 0.000 0.000 0.268 497 T C 1.609 176.319 174.700 0.018 0.000 1.033 497 T CA 1.479 63.589 62.100 0.016 0.000 1.152 497 T CB -0.350 68.526 68.868 0.014 0.000 0.859 497 T HN 0.503 nan 8.240 nan 0.000 0.452 498 K N 0.829 121.242 120.400 0.022 0.000 2.211 498 K HA -0.103 4.217 4.320 0.000 0.000 0.204 498 K C 2.353 178.974 176.600 0.035 0.000 1.047 498 K CA 1.365 57.668 56.287 0.027 0.000 0.935 498 K CB -0.204 32.316 32.500 0.033 0.000 0.728 498 K HN 0.419 nan 8.250 nan 0.000 0.452 499 V N -1.535 118.399 119.914 0.033 0.000 2.535 499 V HA -0.084 4.036 4.120 0.000 0.000 0.246 499 V C 1.737 177.854 176.094 0.038 0.000 1.045 499 V CA 1.854 64.177 62.300 0.039 0.000 1.058 499 V CB -0.375 31.465 31.823 0.027 0.000 0.689 499 V HN 0.186 nan 8.190 nan 0.000 0.461 500 T N 0.678 115.248 114.554 0.026 0.000 2.777 500 T HA -0.134 4.216 4.350 0.000 0.000 0.266 500 T C 1.959 176.672 174.700 0.021 0.000 1.040 500 T CA 2.110 64.223 62.100 0.023 0.000 1.141 500 T CB -0.377 68.501 68.868 0.017 0.000 0.868 500 T HN 0.612 nan 8.240 nan 0.000 0.444 501 R N 0.931 121.439 120.500 0.014 0.000 2.083 501 R HA -0.105 4.235 4.340 0.000 0.000 0.237 501 R C 2.537 178.831 176.300 -0.010 0.000 1.137 501 R CA 1.829 57.928 56.100 -0.003 0.000 0.951 501 R CB -0.386 29.909 30.300 -0.009 0.000 0.851 501 R HN 0.228 nan 8.270 nan 0.000 0.434 502 S N 0.597 116.311 115.700 0.023 0.000 2.351 502 S HA -0.163 4.307 4.470 0.000 0.000 0.220 502 S C 2.074 176.762 174.600 0.147 0.000 1.035 502 S CA 1.268 59.512 58.200 0.073 0.000 1.031 502 S CB -0.477 62.829 63.200 0.177 0.000 0.928 502 S HN 0.595 nan 8.310 nan 0.000 0.433 503 A N 1.260 124.158 122.820 0.129 0.000 1.903 503 A HA -0.175 4.145 4.320 0.000 0.000 0.219 503 A C 2.168 179.808 177.584 0.093 0.000 1.191 503 A CA 1.874 53.982 52.037 0.119 0.000 0.638 503 A CB -0.862 18.177 19.000 0.065 0.000 0.823 503 A HN 0.410 nan 8.150 nan 0.000 0.451 504 L N -0.331 120.918 121.223 0.044 0.000 2.005 504 L HA -0.181 4.159 4.340 0.000 0.000 0.207 504 L C 2.665 179.532 176.870 -0.004 0.000 1.072 504 L CA 2.332 57.184 54.840 0.020 0.000 0.744 504 L CB -0.752 41.309 42.059 0.003 0.000 0.895 504 L HN 0.502 nan 8.230 nan 0.000 0.433 505 Q N -1.416 118.344 119.800 -0.066 0.000 2.112 505 Q HA -0.270 4.070 4.340 0.000 0.000 0.206 505 Q C 2.219 178.128 176.000 -0.152 0.000 0.987 505 Q CA 2.201 57.912 55.803 -0.153 0.000 0.858 505 Q CB -0.537 28.029 28.738 -0.286 0.000 0.905 505 Q HN 0.517 nan 8.270 nan 0.000 0.420 506 Y N 0.451 120.752 120.300 0.001 0.000 2.163 506 Y HA -0.155 4.395 4.550 0.000 0.000 0.288 506 Y C 2.550 178.450 175.900 0.000 0.000 1.136 506 Y CA 0.909 59.009 58.100 -0.000 0.000 1.147 506 Y CB -0.860 37.599 38.460 -0.002 0.000 0.987 506 Y HN 0.128 nan 8.280 nan 0.000 0.509 507 A N 0.141 123.058 122.820 0.162 0.000 1.883 507 A HA -0.208 4.112 4.320 0.000 0.000 0.217 507 A C 2.475 180.096 177.584 0.062 0.000 1.186 507 A CA 2.250 54.342 52.037 0.091 0.000 0.624 507 A CB -1.366 17.672 19.000 0.062 0.000 0.822 507 A HN 0.412 nan 8.150 nan 0.000 0.444 508 A N -0.912 121.933 122.820 0.041 0.000 1.978 508 A HA -0.111 4.209 4.320 0.000 0.000 0.220 508 A C 2.442 180.042 177.584 0.026 0.000 1.170 508 A CA 2.225 54.275 52.037 0.022 0.000 0.636 508 A CB -0.948 18.053 19.000 0.001 0.000 0.810 508 A HN 0.592 nan 8.150 nan 0.000 0.448 509 S N -0.826 114.898 115.700 0.039 0.000 2.354 509 S HA -0.166 4.304 4.470 0.000 0.000 0.219 509 S C 2.017 176.648 174.600 0.052 0.000 1.035 509 S CA 1.901 60.128 58.200 0.046 0.000 1.037 509 S CB -0.712 62.538 63.200 0.084 0.000 0.956 509 S HN 0.711 nan 8.310 nan 0.000 0.428 510 V N 1.998 121.952 119.914 0.067 0.000 2.343 510 V HA -0.060 4.060 4.120 0.000 0.000 0.247 510 V C 2.574 178.689 176.094 0.035 0.000 1.051 510 V CA 2.266 64.595 62.300 0.049 0.000 1.036 510 V CB -1.302 30.550 31.823 0.048 0.000 0.654 510 V HN 0.602 nan 8.190 nan 0.000 0.451 511 A N 0.238 123.078 122.820 0.034 0.000 1.892 511 A HA -0.118 4.202 4.320 0.000 0.000 0.218 511 A C 2.409 180.006 177.584 0.021 0.000 1.188 511 A CA 2.293 54.345 52.037 0.025 0.000 0.631 511 A CB -1.643 17.371 19.000 0.023 0.000 0.822 511 A HN 0.721 nan 8.150 nan 0.000 0.447 512 G N -0.215 108.598 108.800 0.021 0.000 2.459 512 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 512 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 512 G C 1.572 176.483 174.900 0.018 0.000 1.183 512 G CA 1.092 46.202 45.100 0.017 0.000 0.776 512 G HN 0.441 nan 8.290 nan 0.000 0.552 513 L N -0.318 120.919 121.223 0.022 0.000 2.013 513 L HA -0.159 4.181 4.340 0.000 0.000 0.212 513 L C 3.134 180.016 176.870 0.020 0.000 1.073 513 L CA 1.488 56.340 54.840 0.022 0.000 0.753 513 L CB -0.367 41.707 42.059 0.025 0.000 0.890 513 L HN 0.259 nan 8.230 nan 0.000 0.432 514 M N -0.749 118.863 119.600 0.020 0.000 2.175 514 M HA -0.183 4.297 4.480 0.000 0.000 0.264 514 M C 2.222 178.532 176.300 0.016 0.000 1.063 514 M CA 1.667 56.978 55.300 0.018 0.000 1.119 514 M CB -0.248 32.363 32.600 0.019 0.000 1.377 514 M HN 0.183 nan 8.290 nan 0.000 0.415 515 I N -0.130 120.449 120.570 0.015 0.000 2.567 515 I HA -0.196 3.974 4.170 0.000 0.000 0.257 515 I C 1.617 177.743 176.117 0.015 0.000 1.184 515 I CA 1.286 62.595 61.300 0.014 0.000 1.451 515 I CB -0.633 37.374 38.000 0.012 0.000 1.089 515 I HN 0.389 nan 8.210 nan 0.000 0.441 516 T N -3.080 111.484 114.554 0.016 0.000 3.243 516 T HA 0.188 4.538 4.350 0.000 0.000 0.264 516 T C 0.420 175.133 174.700 0.021 0.000 1.000 516 T CA -0.351 61.760 62.100 0.018 0.000 0.901 516 T CB -0.338 68.541 68.868 0.017 0.000 1.083 516 T HN -0.078 nan 8.240 nan 0.000 0.559 517 T N 1.865 116.431 114.554 0.020 0.000 2.829 517 T HA 0.394 4.744 4.350 0.000 0.000 0.282 517 T C 0.484 175.200 174.700 0.027 0.000 0.990 517 T CA -0.594 61.518 62.100 0.021 0.000 1.028 517 T CB 1.807 70.684 68.868 0.015 0.000 0.951 517 T HN 0.080 nan 8.240 nan 0.000 0.460 518 E N 0.319 120.543 120.200 0.040 0.000 2.514 518 E HA 0.192 4.542 4.350 0.000 0.000 0.215 518 E C -0.138 176.509 176.600 0.078 0.000 0.946 518 E CA 0.089 56.534 56.400 0.075 0.000 1.038 518 E CB 0.821 30.584 29.700 0.106 0.000 1.069 518 E HN 0.568 nan 8.360 nan 0.000 0.503 519 C N 0.696 119.990 119.300 -0.009 0.000 2.782 519 C HA 0.661 5.121 4.460 0.000 0.000 0.328 519 C C -1.311 173.588 174.990 -0.151 0.000 1.145 519 C CA -0.587 58.320 59.018 -0.184 0.000 1.358 519 C CB 0.424 28.049 27.740 -0.192 0.000 1.841 519 C HN 0.119 nan 8.230 nan 0.000 0.477 520 M N 5.031 124.515 119.600 -0.194 0.000 2.395 520 M HA 0.620 5.100 4.480 0.000 0.000 0.307 520 M C -1.087 175.241 176.300 0.046 0.000 1.091 520 M CA -0.591 54.711 55.300 0.002 0.000 0.919 520 M CB 2.134 34.833 32.600 0.164 0.000 1.662 520 M HN 0.396 nan 8.290 nan 0.000 0.440 521 V N 1.524 121.462 119.914 0.040 0.000 2.531 521 V HA 0.773 4.893 4.120 0.000 0.000 0.301 521 V C -0.337 175.733 176.094 -0.041 0.000 1.034 521 V CA -0.323 61.985 62.300 0.013 0.000 0.865 521 V CB 2.084 33.894 31.823 -0.022 0.000 0.995 521 V HN 0.967 nan 8.190 nan 0.000 0.424 522 T N 2.362 116.850 114.554 -0.110 0.000 2.762 522 T HA 0.411 4.761 4.350 0.000 0.000 0.301 522 T C -1.341 173.249 174.700 -0.182 0.000 1.299 522 T CA -0.558 61.412 62.100 -0.217 0.000 1.005 522 T CB 1.847 70.438 68.868 -0.463 0.000 1.377 522 T HN 0.643 nan 8.240 nan 0.000 0.504 523 D N 1.099 121.398 120.400 -0.169 0.000 2.362 523 D HA 0.418 5.058 4.640 0.000 0.000 0.242 523 D C -0.365 175.864 176.300 -0.119 0.000 1.132 523 D CA -0.186 53.746 54.000 -0.114 0.000 0.907 523 D CB 0.436 41.184 40.800 -0.087 0.000 1.195 523 D HN 0.201 nan 8.370 nan 0.000 0.429 524 L N 3.190 124.375 121.223 -0.064 0.000 2.331 524 L HA 0.319 4.659 4.340 0.000 0.000 0.278 524 L C -1.607 175.239 176.870 -0.040 0.000 1.106 524 L CA -1.274 53.543 54.840 -0.039 0.000 0.824 524 L CB 0.060 42.112 42.059 -0.011 0.000 1.142 524 L HN 0.413 nan 8.230 nan 0.000 0.443 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.083 63.100 -0.028 0.000 0.800 525 P CB 0.000 31.688 31.700 -0.020 0.000 0.726