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 1svt_1_F DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV 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 0.000 177.573 177.584 -0.018 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 2 A CB 0.000 18.984 19.000 -0.027 0.000 0.831 3 A N 2.011 124.822 122.820 -0.015 0.000 2.546 3 A HA 0.508 4.828 4.320 0.000 0.000 0.243 3 A C 0.312 177.883 177.584 -0.022 0.000 1.063 3 A CA 0.379 52.409 52.037 -0.012 0.000 0.757 3 A CB -0.112 18.884 19.000 -0.007 0.000 0.991 3 A HN 0.599 nan 8.150 nan 0.000 0.503 4 K N 1.483 121.872 120.400 -0.019 0.000 2.095 4 K HA 0.405 4.725 4.320 0.000 0.000 0.252 4 K C -0.845 175.744 176.600 -0.018 0.000 0.977 4 K CA -0.611 55.657 56.287 -0.030 0.000 0.900 4 K CB 1.214 33.701 32.500 -0.021 0.000 1.060 4 K HN 0.748 nan 8.250 nan 0.000 0.449 5 D N 1.119 121.501 120.400 -0.030 0.000 2.278 5 D HA 0.317 4.957 4.640 0.000 0.000 0.245 5 D C -1.273 175.088 176.300 0.101 0.000 1.052 5 D CA -0.611 53.408 54.000 0.031 0.000 0.834 5 D CB 1.352 42.147 40.800 -0.008 0.000 1.194 5 D HN 0.226 nan 8.370 nan 0.000 0.481 6 V N 1.190 121.149 119.914 0.075 0.000 2.604 6 V HA 0.687 4.807 4.120 0.000 0.000 0.305 6 V C -0.856 175.136 176.094 -0.169 0.000 1.043 6 V CA -0.618 61.655 62.300 -0.046 0.000 0.888 6 V CB 1.785 33.473 31.823 -0.224 0.000 0.995 6 V HN 0.400 nan 8.190 nan 0.000 0.429 7 K N 4.168 124.360 120.400 -0.346 0.000 2.316 7 K HA 0.643 4.963 4.320 0.000 0.000 0.251 7 K C -1.677 174.572 176.600 -0.585 0.000 0.934 7 K CA -0.448 55.561 56.287 -0.463 0.000 0.802 7 K CB 2.417 34.486 32.500 -0.719 0.000 1.171 7 K HN 0.737 nan 8.250 nan 0.000 0.426 8 F N 0.107 119.991 119.950 -0.110 0.000 2.507 8 F HA 0.355 4.882 4.527 0.000 0.000 0.327 8 F C 1.345 177.095 175.800 -0.084 0.000 1.068 8 F CA 0.338 58.293 58.000 -0.076 0.000 0.965 8 F CB 1.797 40.771 39.000 -0.043 0.000 1.192 8 F HN 0.869 nan 8.300 nan 0.000 0.476 9 G N 2.339 111.246 108.800 0.179 0.000 2.651 9 G HA2 -0.519 3.441 3.960 0.000 0.000 0.315 9 G HA3 -0.519 3.441 3.960 0.000 0.000 0.315 9 G C 0.975 175.885 174.900 0.017 0.000 1.258 9 G CA 1.146 46.295 45.100 0.082 0.000 1.002 9 G HN 0.868 nan 8.290 nan 0.000 0.551 10 N N 0.803 119.509 118.700 0.010 0.000 2.120 10 N HA -0.074 4.666 4.740 0.000 0.000 0.188 10 N C 1.728 177.215 175.510 -0.040 0.000 1.024 10 N CA 2.414 55.457 53.050 -0.012 0.000 0.852 10 N CB -0.218 38.264 38.487 -0.007 0.000 1.003 10 N HN 0.541 nan 8.380 nan 0.000 0.424 11 D N 0.406 120.775 120.400 -0.051 0.000 2.084 11 D HA -0.123 4.517 4.640 0.000 0.000 0.194 11 D C 2.009 178.194 176.300 -0.192 0.000 0.990 11 D CA 1.496 55.433 54.000 -0.106 0.000 0.826 11 D CB -0.961 39.770 40.800 -0.115 0.000 0.971 11 D HN 0.442 nan 8.370 nan 0.000 0.453 12 A N 1.092 123.771 122.820 -0.234 0.000 1.915 12 A HA -0.304 4.016 4.320 0.000 0.000 0.220 12 A C 2.207 179.678 177.584 -0.188 0.000 1.198 12 A CA 2.110 53.953 52.037 -0.322 0.000 0.647 12 A CB -0.644 18.212 19.000 -0.241 0.000 0.825 12 A HN 0.143 nan 8.150 nan 0.000 0.456 13 R N -1.112 119.328 120.500 -0.100 0.000 2.066 13 R HA -0.040 4.300 4.340 0.000 0.000 0.232 13 R C 2.152 178.427 176.300 -0.042 0.000 1.131 13 R CA 1.321 57.389 56.100 -0.053 0.000 0.955 13 R CB -0.578 29.705 30.300 -0.028 0.000 0.851 13 R HN 0.403 nan 8.270 nan 0.000 0.432 14 V N 2.099 121.986 119.914 -0.046 0.000 2.252 14 V HA -0.335 3.785 4.120 0.000 0.000 0.249 14 V C 2.280 178.357 176.094 -0.028 0.000 1.056 14 V CA 1.817 64.098 62.300 -0.031 0.000 1.022 14 V CB -0.455 31.351 31.823 -0.030 0.000 0.641 14 V HN 0.301 nan 8.190 nan 0.000 0.445 15 K N -0.435 119.933 120.400 -0.053 0.000 2.020 15 K HA -0.226 4.094 4.320 0.000 0.000 0.212 15 K C 2.145 178.755 176.600 0.018 0.000 1.050 15 K CA 1.994 58.275 56.287 -0.011 0.000 0.929 15 K CB -0.730 31.763 32.500 -0.012 0.000 0.714 15 K HN 0.444 nan 8.250 nan 0.000 0.443 16 M N 0.766 120.365 119.600 -0.001 0.000 2.195 16 M HA -0.196 4.284 4.480 0.000 0.000 0.260 16 M C 2.074 178.386 176.300 0.022 0.000 1.066 16 M CA 1.244 56.559 55.300 0.025 0.000 1.089 16 M CB -0.036 32.571 32.600 0.011 0.000 1.377 16 M HN 0.090 nan 8.290 nan 0.000 0.411 17 L N 0.285 121.514 121.223 0.010 0.000 2.044 17 L HA -0.115 4.225 4.340 0.000 0.000 0.205 17 L C 2.256 179.135 176.870 0.015 0.000 1.075 17 L CA 1.774 56.620 54.840 0.011 0.000 0.747 17 L CB -0.671 41.391 42.059 0.005 0.000 0.903 17 L HN 0.198 nan 8.230 nan 0.000 0.435 18 R N -0.419 120.091 120.500 0.016 0.000 2.117 18 R HA -0.175 4.165 4.340 0.000 0.000 0.243 18 R C 2.141 178.455 176.300 0.024 0.000 1.143 18 R CA 1.290 57.402 56.100 0.019 0.000 0.968 18 R CB -1.032 29.281 30.300 0.022 0.000 0.863 18 R HN 0.616 nan 8.270 nan 0.000 0.444 19 G N 0.515 109.334 108.800 0.031 0.000 2.453 19 G HA2 -0.238 3.722 3.960 0.000 0.000 0.215 19 G HA3 -0.238 3.722 3.960 0.000 0.000 0.215 19 G C 1.480 176.394 174.900 0.024 0.000 1.201 19 G CA 0.987 46.107 45.100 0.033 0.000 0.784 19 G HN 0.145 nan 8.290 nan 0.000 0.545 20 V N 1.613 121.541 119.914 0.023 0.000 2.278 20 V HA -0.333 3.787 4.120 0.000 0.000 0.251 20 V C 2.533 178.637 176.094 0.016 0.000 1.062 20 V CA 2.416 64.727 62.300 0.019 0.000 1.038 20 V CB -0.980 30.854 31.823 0.018 0.000 0.646 20 V HN 0.465 nan 8.190 nan 0.000 0.447 21 N N -0.239 118.470 118.700 0.015 0.000 2.104 21 N HA -0.156 4.584 4.740 0.000 0.000 0.190 21 N C 1.722 177.238 175.510 0.011 0.000 1.024 21 N CA 1.377 54.434 53.050 0.012 0.000 0.853 21 N CB -0.270 38.223 38.487 0.011 0.000 1.008 21 N HN 0.323 nan 8.380 nan 0.000 0.424 22 V N 1.472 121.394 119.914 0.012 0.000 2.295 22 V HA -0.189 3.931 4.120 0.000 0.000 0.246 22 V C 2.165 178.264 176.094 0.009 0.000 1.049 22 V CA 1.213 63.519 62.300 0.010 0.000 1.024 22 V CB -0.570 31.260 31.823 0.011 0.000 0.648 22 V HN 0.373 nan 8.190 nan 0.000 0.447 23 L N 1.085 122.315 121.223 0.011 0.000 1.961 23 L HA -0.068 4.272 4.340 0.000 0.000 0.210 23 L C 2.551 179.426 176.870 0.009 0.000 1.072 23 L CA 2.772 57.618 54.840 0.010 0.000 0.749 23 L CB -1.742 40.324 42.059 0.011 0.000 0.889 23 L HN 0.268 nan 8.230 nan 0.000 0.432 24 A N 0.020 122.847 122.820 0.011 0.000 1.873 24 A HA -0.277 4.043 4.320 0.000 0.000 0.218 24 A C 1.896 179.485 177.584 0.009 0.000 1.193 24 A CA 2.132 54.176 52.037 0.011 0.000 0.629 24 A CB -1.071 17.936 19.000 0.013 0.000 0.826 24 A HN 0.614 nan 8.150 nan 0.000 0.447 25 D N -0.035 120.370 120.400 0.008 0.000 2.221 25 D HA -0.070 4.570 4.640 0.000 0.000 0.204 25 D C 2.023 178.325 176.300 0.004 0.000 0.982 25 D CA 1.442 55.445 54.000 0.006 0.000 0.857 25 D CB -0.380 40.424 40.800 0.005 0.000 0.934 25 D HN 0.505 nan 8.370 nan 0.000 0.475 26 A N 0.256 123.078 122.820 0.004 0.000 1.930 26 A HA -0.030 4.290 4.320 0.000 0.000 0.215 26 A C 2.445 180.030 177.584 0.002 0.000 1.176 26 A CA 0.657 52.695 52.037 0.002 0.000 0.632 26 A CB -0.313 18.688 19.000 0.001 0.000 0.819 26 A HN 0.148 nan 8.150 nan 0.000 0.445 27 V N 0.082 119.999 119.914 0.005 0.000 2.407 27 V HA -0.186 3.934 4.120 0.000 0.000 0.245 27 V C 2.277 178.374 176.094 0.006 0.000 1.041 27 V CA 1.914 64.217 62.300 0.005 0.000 1.040 27 V CB -0.656 31.171 31.823 0.007 0.000 0.671 27 V HN 0.492 nan 8.190 nan 0.000 0.455 28 K N 0.564 120.968 120.400 0.007 0.000 2.144 28 K HA -0.230 4.090 4.320 0.000 0.000 0.209 28 K C 1.964 178.567 176.600 0.006 0.000 1.047 28 K CA 1.987 58.279 56.287 0.007 0.000 0.927 28 K CB -0.540 31.964 32.500 0.007 0.000 0.716 28 K HN 0.596 nan 8.250 nan 0.000 0.454 29 V N -0.965 118.951 119.914 0.004 0.000 3.078 29 V HA -0.126 3.994 4.120 0.000 0.000 0.265 29 V C 1.809 177.904 176.094 0.002 0.000 1.122 29 V CA 1.924 64.225 62.300 0.002 0.000 1.141 29 V CB -0.990 30.833 31.823 0.000 0.000 0.735 29 V HN 0.339 nan 8.190 nan 0.000 0.498 30 T N -2.185 112.370 114.554 0.002 0.000 3.060 30 T HA 0.307 4.657 4.350 0.000 0.000 0.249 30 T C 0.538 175.239 174.700 0.002 0.000 1.079 30 T CA -0.065 62.035 62.100 0.001 0.000 1.013 30 T CB -0.088 68.780 68.868 -0.001 0.000 0.975 30 T HN 0.393 nan 8.240 nan 0.000 0.518 31 L N 2.562 123.788 121.223 0.005 0.000 2.416 31 L HA 0.548 4.888 4.340 0.000 0.000 0.272 31 L C 0.640 177.515 176.870 0.008 0.000 1.161 31 L CA 1.549 56.393 54.840 0.008 0.000 0.845 31 L CB -0.420 41.646 42.059 0.011 0.000 1.119 31 L HN 0.659 nan 8.230 nan 0.000 0.464 32 G N 4.069 112.873 108.800 0.006 0.000 2.663 32 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 32 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 32 G C -2.297 172.602 174.900 -0.001 0.000 1.288 32 G CA -0.308 44.796 45.100 0.006 0.000 0.836 32 G HN 0.559 nan 8.290 nan 0.000 0.584 33 P HA 0.016 nan 4.420 nan 0.000 0.221 33 P C 0.957 178.251 177.300 -0.012 0.000 1.150 33 P CA 1.165 64.256 63.100 -0.015 0.000 0.800 33 P CB 0.134 31.817 31.700 -0.028 0.000 0.787 34 K N 0.414 120.811 120.400 -0.005 0.000 2.500 34 K HA 0.223 4.543 4.320 0.000 0.000 0.206 34 K C 1.071 177.671 176.600 0.001 0.000 1.034 34 K CA -0.277 56.008 56.287 -0.002 0.000 1.179 34 K CB 0.128 32.630 32.500 0.003 0.000 0.884 34 K HN 0.069 nan 8.250 nan 0.000 0.493 35 G N 1.486 110.286 108.800 -0.000 0.000 2.491 35 G HA2 0.011 3.971 3.960 0.000 0.000 0.238 35 G HA3 0.011 3.971 3.960 0.000 0.000 0.238 35 G C -0.059 174.839 174.900 -0.003 0.000 1.277 35 G CA -0.254 44.846 45.100 -0.000 0.000 0.851 35 G HN 0.231 nan 8.290 nan 0.000 0.573 36 R N 0.922 121.420 120.500 -0.002 0.000 2.810 36 R HA 0.371 4.711 4.340 0.000 0.000 0.245 36 R C -0.375 175.922 176.300 -0.005 0.000 1.168 36 R CA -1.005 55.093 56.100 -0.004 0.000 1.096 36 R CB 1.000 31.298 30.300 -0.004 0.000 1.259 36 R HN 0.492 nan 8.270 nan 0.000 0.518 37 N N -0.235 118.462 118.700 -0.006 0.000 2.459 37 N HA 0.398 5.138 4.740 0.000 0.000 0.288 37 N C -0.937 174.568 175.510 -0.008 0.000 1.186 37 N CA -0.501 52.544 53.050 -0.008 0.000 0.917 37 N CB 1.929 40.410 38.487 -0.009 0.000 1.219 37 N HN 0.109 nan 8.380 nan 0.000 0.525 38 V N 0.877 120.785 119.914 -0.009 0.000 2.628 38 V HA 0.411 4.531 4.120 0.000 0.000 0.306 38 V C -0.125 175.960 176.094 -0.015 0.000 1.045 38 V CA -0.819 61.474 62.300 -0.011 0.000 0.905 38 V CB 2.146 33.963 31.823 -0.009 0.000 0.997 38 V HN 0.298 nan 8.190 nan 0.000 0.436 39 V N 5.573 125.475 119.914 -0.020 0.000 2.398 39 V HA 0.479 4.599 4.120 0.000 0.000 0.286 39 V C -0.345 175.729 176.094 -0.034 0.000 1.026 39 V CA -0.423 61.861 62.300 -0.027 0.000 0.868 39 V CB 1.402 33.208 31.823 -0.028 0.000 0.982 39 V HN 0.613 nan 8.190 nan 0.000 0.443 40 L N 3.843 125.041 121.223 -0.041 0.000 2.316 40 L HA 0.482 4.822 4.340 0.000 0.000 0.280 40 L C 0.047 176.861 176.870 -0.094 0.000 1.006 40 L CA -0.592 54.216 54.840 -0.053 0.000 0.836 40 L CB 1.418 43.456 42.059 -0.036 0.000 1.221 40 L HN 0.523 nan 8.230 nan 0.000 0.418 41 D N 3.443 123.775 120.400 -0.113 0.000 2.406 41 D HA 0.090 4.730 4.640 0.000 0.000 0.234 41 D C -0.413 175.694 176.300 -0.321 0.000 1.196 41 D CA 0.738 54.631 54.000 -0.179 0.000 0.881 41 D CB 0.726 41.433 40.800 -0.154 0.000 1.205 41 D HN 0.372 nan 8.370 nan 0.000 0.453 42 K N 0.816 120.915 120.400 -0.501 0.000 2.690 42 K HA 0.132 4.452 4.320 0.000 0.000 0.264 42 K C 0.856 176.825 176.600 -1.050 0.000 1.040 42 K CA -0.353 55.243 56.287 -1.152 0.000 0.946 42 K CB 1.191 33.217 32.500 -0.791 0.000 1.268 42 K HN 0.362 nan 8.250 nan 0.000 0.473 43 S N 3.098 118.181 115.700 -1.029 0.000 2.365 43 S HA -0.236 4.234 4.470 0.000 0.000 0.221 43 S C 1.494 176.074 174.600 -0.033 0.000 1.037 43 S CA 1.454 59.497 58.200 -0.262 0.000 1.060 43 S CB -0.775 62.448 63.200 0.038 0.000 0.974 43 S HN 0.532 nan 8.310 nan 0.000 0.427 44 F N 2.442 122.389 119.950 -0.006 0.000 2.886 44 F HA -0.242 4.285 4.527 -0.000 0.000 0.279 44 F C 1.910 177.706 175.800 -0.005 0.000 1.329 44 F CA 0.703 58.699 58.000 -0.006 0.000 1.557 44 F CB -2.109 36.887 39.000 -0.006 0.000 0.721 44 F HN 0.585 nan 8.300 nan 0.000 0.542 45 G N -1.087 107.810 108.800 0.162 0.000 3.099 45 G HA2 0.658 4.618 3.960 0.000 0.000 0.151 45 G HA3 0.658 4.618 3.960 0.000 0.000 0.151 45 G C -0.462 174.430 174.900 -0.013 0.000 1.265 45 G CA -0.193 44.945 45.100 0.063 0.000 0.981 45 G HN 0.766 nan 8.290 nan 0.000 0.601 46 A N 0.037 122.849 122.820 -0.012 0.000 2.346 46 A HA 0.641 4.961 4.320 0.000 0.000 0.252 46 A C -1.958 175.588 177.584 -0.064 0.000 1.089 46 A CA -0.572 51.444 52.037 -0.035 0.000 0.797 46 A CB -0.322 18.666 19.000 -0.020 0.000 1.047 46 A HN 0.405 nan 8.150 nan 0.000 0.494 47 P HA 0.310 nan 4.420 nan 0.000 0.275 47 P C -0.298 176.970 177.300 -0.053 0.000 1.270 47 P CA -0.005 63.042 63.100 -0.088 0.000 0.791 47 P CB 0.458 32.112 31.700 -0.076 0.000 1.089 48 T N 0.677 115.202 114.554 -0.049 0.000 2.824 48 T HA 0.566 4.916 4.350 0.000 0.000 0.282 48 T C -0.297 174.389 174.700 -0.023 0.000 0.993 48 T CA -0.239 61.845 62.100 -0.026 0.000 0.967 48 T CB 0.144 69.001 68.868 -0.018 0.000 0.960 48 T HN 0.081 nan 8.240 nan 0.000 0.441 49 I N 2.658 123.219 120.570 -0.016 0.000 2.359 49 I HA 0.596 4.766 4.170 0.000 0.000 0.294 49 I C 0.462 176.573 176.117 -0.011 0.000 0.987 49 I CA -0.116 61.175 61.300 -0.015 0.000 1.225 49 I CB 2.015 40.007 38.000 -0.014 0.000 1.366 49 I HN 0.464 nan 8.210 nan 0.000 0.466 50 T N 4.108 118.656 114.554 -0.011 0.000 2.942 50 T HA 0.291 4.641 4.350 0.000 0.000 0.327 50 T C 0.084 174.779 174.700 -0.009 0.000 1.360 50 T CA -0.611 61.484 62.100 -0.009 0.000 1.055 50 T CB 1.422 70.286 68.868 -0.007 0.000 1.261 50 T HN 0.700 nan 8.240 nan 0.000 0.485 51 K N 1.536 121.931 120.400 -0.009 0.000 2.354 51 K HA 0.208 4.528 4.320 0.000 0.000 0.194 51 K C -0.012 176.583 176.600 -0.008 0.000 1.038 51 K CA 0.003 56.285 56.287 -0.008 0.000 1.052 51 K CB 0.334 32.829 32.500 -0.008 0.000 0.861 51 K HN 0.515 nan 8.250 nan 0.000 0.535 52 D N -0.203 120.191 120.400 -0.010 0.000 2.393 52 D HA 0.114 4.754 4.640 0.000 0.000 0.232 52 D C 1.184 177.479 176.300 -0.008 0.000 1.192 52 D CA -0.020 53.973 54.000 -0.012 0.000 0.882 52 D CB 1.023 41.812 40.800 -0.019 0.000 1.038 52 D HN 0.234 nan 8.370 nan 0.000 0.499 53 G N 2.716 111.514 108.800 -0.004 0.000 2.606 53 G HA2 -0.337 3.623 3.960 0.000 0.000 0.221 53 G HA3 -0.337 3.623 3.960 0.000 0.000 0.221 53 G C 1.529 176.429 174.900 0.000 0.000 1.152 53 G CA 0.980 46.081 45.100 0.000 0.000 0.765 53 G HN 0.526 nan 8.290 nan 0.000 0.595 54 V N 0.170 120.083 119.914 -0.003 0.000 2.759 54 V HA -0.094 4.026 4.120 0.000 0.000 0.256 54 V C 2.822 178.915 176.094 -0.002 0.000 1.080 54 V CA 2.696 64.994 62.300 -0.004 0.000 1.101 54 V CB -0.207 31.611 31.823 -0.009 0.000 0.698 54 V HN 0.344 nan 8.190 nan 0.000 0.477 55 S N -0.547 115.151 115.700 -0.002 0.000 2.362 55 S HA -0.102 4.368 4.470 0.000 0.000 0.221 55 S C 1.854 176.456 174.600 0.004 0.000 1.032 55 S CA 1.433 59.635 58.200 0.002 0.000 0.973 55 S CB 0.045 63.245 63.200 0.000 0.000 0.849 55 S HN 0.499 nan 8.310 nan 0.000 0.465 56 V N 2.376 122.291 119.914 0.001 0.000 2.282 56 V HA -0.264 3.856 4.120 0.000 0.000 0.249 56 V C 2.650 178.746 176.094 0.004 0.000 1.057 56 V CA 1.898 64.199 62.300 0.001 0.000 1.032 56 V CB -1.287 30.535 31.823 -0.000 0.000 0.645 56 V HN 0.532 nan 8.190 nan 0.000 0.447 57 A N 0.166 122.989 122.820 0.004 0.000 1.865 57 A HA -0.250 4.070 4.320 0.000 0.000 0.217 57 A C 2.300 179.888 177.584 0.006 0.000 1.191 57 A CA 1.925 53.964 52.037 0.004 0.000 0.623 57 A CB -0.606 18.396 19.000 0.003 0.000 0.826 57 A HN 0.518 nan 8.150 nan 0.000 0.444 58 R N -0.233 120.271 120.500 0.007 0.000 2.303 58 R HA -0.104 4.236 4.340 0.000 0.000 0.225 58 R C 1.039 177.350 176.300 0.018 0.000 1.114 58 R CA 1.175 57.281 56.100 0.010 0.000 1.007 58 R CB -0.156 30.152 30.300 0.013 0.000 0.861 58 R HN 0.594 nan 8.270 nan 0.000 0.471 59 E N 0.143 120.353 120.200 0.017 0.000 2.460 59 E HA 0.074 4.424 4.350 0.000 0.000 0.200 59 E C 0.455 177.063 176.600 0.013 0.000 1.011 59 E CA 0.073 56.486 56.400 0.020 0.000 0.912 59 E CB 0.436 30.144 29.700 0.014 0.000 0.953 59 E HN 0.121 nan 8.360 nan 0.000 0.494 60 I N 2.068 122.644 120.570 0.009 0.000 2.496 60 I HA 0.160 4.330 4.170 0.000 0.000 0.285 60 I C 0.395 176.517 176.117 0.008 0.000 1.080 60 I CA 0.161 61.465 61.300 0.007 0.000 1.404 60 I CB 0.300 38.303 38.000 0.006 0.000 1.403 60 I HN -0.023 nan 8.210 nan 0.000 0.539 61 E N 5.822 126.026 120.200 0.006 0.000 2.321 61 E HA 0.457 4.807 4.350 0.000 0.000 0.281 61 E C -1.994 174.607 176.600 0.002 0.000 0.910 61 E CA -0.612 55.790 56.400 0.004 0.000 0.770 61 E CB 1.914 31.617 29.700 0.005 0.000 1.225 61 E HN 0.245 nan 8.360 nan 0.000 0.417 62 L N 2.912 124.135 121.223 0.001 0.000 2.304 62 L HA 0.383 4.723 4.340 0.000 0.000 0.268 62 L C 1.289 178.156 176.870 -0.005 0.000 1.010 62 L CA -0.091 54.751 54.840 0.002 0.000 0.813 62 L CB 1.298 43.363 42.059 0.010 0.000 1.315 62 L HN 0.852 nan 8.230 nan 0.000 0.445 63 E N -0.416 119.782 120.200 -0.003 0.000 2.190 63 E HA -0.085 4.265 4.350 0.000 0.000 0.191 63 E C 0.009 176.599 176.600 -0.017 0.000 0.978 63 E CA 0.070 56.463 56.400 -0.011 0.000 0.839 63 E CB 0.368 30.064 29.700 -0.007 0.000 0.787 63 E HN 0.635 nan 8.360 nan 0.000 0.473 64 D N 1.024 121.424 120.400 -0.001 0.000 2.339 64 D HA -0.041 4.599 4.640 0.000 0.000 0.256 64 D C 0.652 176.935 176.300 -0.028 0.000 1.214 64 D CA -0.003 54.001 54.000 0.006 0.000 0.877 64 D CB 1.032 41.865 40.800 0.056 0.000 1.111 64 D HN -0.061 nan 8.370 nan 0.000 0.478 65 K N 3.378 123.700 120.400 -0.130 0.000 2.211 65 K HA -0.142 4.178 4.320 0.000 0.000 0.204 65 K C 1.576 178.043 176.600 -0.222 0.000 1.047 65 K CA 0.931 57.082 56.287 -0.227 0.000 0.935 65 K CB -0.149 32.115 32.500 -0.393 0.000 0.728 65 K HN 0.499 nan 8.250 nan 0.000 0.452 66 F N 1.415 121.353 119.950 -0.020 0.000 2.219 66 F HA -0.009 4.518 4.527 -0.000 0.000 0.294 66 F C 2.203 177.993 175.800 -0.016 0.000 1.086 66 F CA 0.808 58.794 58.000 -0.023 0.000 1.330 66 F CB -0.398 38.587 39.000 -0.026 0.000 1.047 66 F HN 0.067 nan 8.300 nan 0.000 0.495 67 E N -0.087 120.227 120.200 0.190 0.000 2.153 67 E HA -0.240 4.110 4.350 0.000 0.000 0.194 67 E C 1.724 178.363 176.600 0.064 0.000 0.988 67 E CA 1.163 57.624 56.400 0.102 0.000 0.811 67 E CB -0.362 29.381 29.700 0.072 0.000 0.746 67 E HN 0.298 nan 8.360 nan 0.000 0.466 68 N N 1.031 119.756 118.700 0.042 0.000 2.084 68 N HA -0.160 4.580 4.740 0.000 0.000 0.190 68 N C 1.737 177.261 175.510 0.023 0.000 1.030 68 N CA 1.340 54.400 53.050 0.016 0.000 0.849 68 N CB -0.050 38.429 38.487 -0.013 0.000 1.012 68 N HN 0.069 nan 8.380 nan 0.000 0.423 69 M N -0.472 119.149 119.600 0.036 0.000 2.108 69 M HA -0.094 4.386 4.480 0.000 0.000 0.261 69 M C 2.114 178.440 176.300 0.044 0.000 1.066 69 M CA 1.789 57.114 55.300 0.041 0.000 1.107 69 M CB -0.695 31.949 32.600 0.074 0.000 1.356 69 M HN 0.345 nan 8.290 nan 0.000 0.406 70 G N -0.140 108.693 108.800 0.056 0.000 2.553 70 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 70 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 70 G C 1.539 176.457 174.900 0.029 0.000 1.195 70 G CA 1.236 46.361 45.100 0.042 0.000 0.779 70 G HN 0.581 nan 8.290 nan 0.000 0.577 71 A N -0.736 122.100 122.820 0.026 0.000 1.969 71 A HA 0.009 4.329 4.320 0.000 0.000 0.218 71 A C 2.348 179.941 177.584 0.014 0.000 1.169 71 A CA 1.773 53.821 52.037 0.018 0.000 0.635 71 A CB -0.242 18.768 19.000 0.016 0.000 0.810 71 A HN 0.333 nan 8.150 nan 0.000 0.445 72 Q N -1.145 118.663 119.800 0.013 0.000 2.297 72 Q HA 0.051 4.391 4.340 0.000 0.000 0.204 72 Q C 1.899 177.903 176.000 0.007 0.000 0.962 72 Q CA 0.990 56.798 55.803 0.007 0.000 0.879 72 Q CB -0.148 28.593 28.738 0.004 0.000 0.947 72 Q HN 0.779 nan 8.270 nan 0.000 0.462 73 M N -0.649 118.959 119.600 0.012 0.000 2.299 73 M HA -0.100 4.380 4.480 0.000 0.000 0.264 73 M C 2.102 178.409 176.300 0.012 0.000 1.095 73 M CA 0.759 56.067 55.300 0.012 0.000 1.165 73 M CB 0.112 32.722 32.600 0.018 0.000 1.349 73 M HN 0.004 nan 8.290 nan 0.000 0.446 74 V N -0.182 119.741 119.914 0.015 0.000 2.469 74 V HA -0.270 3.850 4.120 0.000 0.000 0.251 74 V C 2.056 178.156 176.094 0.010 0.000 1.064 74 V CA 2.017 64.326 62.300 0.016 0.000 1.066 74 V CB -1.545 30.289 31.823 0.018 0.000 0.667 74 V HN 0.539 nan 8.190 nan 0.000 0.461 75 K N 0.977 121.381 120.400 0.006 0.000 2.442 75 K HA -0.242 4.078 4.320 0.000 0.000 0.199 75 K C 2.026 178.620 176.600 -0.011 0.000 1.044 75 K CA 1.864 58.151 56.287 -0.000 0.000 0.941 75 K CB -0.145 32.355 32.500 0.000 0.000 0.759 75 K HN 0.689 nan 8.250 nan 0.000 0.472 76 E N 0.655 120.846 120.200 -0.014 0.000 2.385 76 E HA -0.093 4.257 4.350 0.000 0.000 0.194 76 E C 1.858 178.424 176.600 -0.056 0.000 1.013 76 E CA 0.507 56.885 56.400 -0.037 0.000 0.866 76 E CB 0.250 29.930 29.700 -0.033 0.000 0.832 76 E HN 0.304 nan 8.360 nan 0.000 0.500 77 V N -0.108 119.795 119.914 -0.018 0.000 2.270 77 V HA -0.113 4.007 4.120 0.000 0.000 0.245 77 V C 2.244 178.332 176.094 -0.011 0.000 1.043 77 V CA 1.910 64.213 62.300 0.005 0.000 1.014 77 V CB -0.588 31.272 31.823 0.062 0.000 0.645 77 V HN 0.258 nan 8.190 nan 0.000 0.447 78 A N -0.141 122.679 122.820 -0.001 0.000 1.940 78 A HA -0.205 4.115 4.320 0.000 0.000 0.219 78 A C 2.589 180.158 177.584 -0.024 0.000 1.176 78 A CA 2.589 54.627 52.037 0.001 0.000 0.631 78 A CB -1.187 17.815 19.000 0.003 0.000 0.814 78 A HN 0.710 nan 8.150 nan 0.000 0.446 79 S N -0.957 114.716 115.700 -0.045 0.000 2.338 79 S HA -0.162 4.308 4.470 0.000 0.000 0.218 79 S C 2.245 176.782 174.600 -0.105 0.000 1.032 79 S CA 1.621 59.785 58.200 -0.060 0.000 0.999 79 S CB -0.291 62.874 63.200 -0.057 0.000 0.905 79 S HN 0.410 nan 8.310 nan 0.000 0.439 80 K N 1.488 121.768 120.400 -0.199 0.000 2.032 80 K HA 0.003 4.323 4.320 0.000 0.000 0.209 80 K C 2.280 178.637 176.600 -0.406 0.000 1.048 80 K CA 1.446 57.485 56.287 -0.412 0.000 0.927 80 K CB -1.236 30.817 32.500 -0.745 0.000 0.712 80 K HN 0.400 nan 8.250 nan 0.000 0.441 81 A N 2.005 124.702 122.820 -0.206 0.000 1.896 81 A HA -0.283 4.037 4.320 0.000 0.000 0.220 81 A C 2.135 179.762 177.584 0.071 0.000 1.206 81 A CA 2.288 54.392 52.037 0.112 0.000 0.647 81 A CB -0.957 18.130 19.000 0.146 0.000 0.828 81 A HN 0.561 nan 8.150 nan 0.000 0.455 82 N N -0.233 118.476 118.700 0.015 0.000 2.104 82 N HA -0.186 4.554 4.740 0.000 0.000 0.190 82 N C 0.777 176.313 175.510 0.043 0.000 1.024 82 N CA 1.717 54.781 53.050 0.022 0.000 0.853 82 N CB -0.304 38.181 38.487 -0.004 0.000 1.008 82 N HN 0.508 nan 8.380 nan 0.000 0.424 83 D N 0.027 120.433 120.400 0.010 0.000 2.312 83 D HA -0.037 4.603 4.640 0.000 0.000 0.211 83 D C 1.387 177.724 176.300 0.063 0.000 0.964 83 D CA 0.620 54.636 54.000 0.027 0.000 0.877 83 D CB 0.115 40.905 40.800 -0.017 0.000 0.924 83 D HN 0.412 nan 8.370 nan 0.000 0.515 84 A N 0.764 123.637 122.820 0.088 0.000 1.983 84 A HA 0.487 4.807 4.320 0.000 0.000 0.207 84 A C 2.119 179.786 177.584 0.139 0.000 1.412 84 A CA 0.870 52.987 52.037 0.132 0.000 0.750 84 A CB -0.500 18.647 19.000 0.245 0.000 1.047 84 A HN 0.159 nan 8.150 nan 0.000 0.504 85 A N -1.398 121.518 122.820 0.161 0.000 1.824 85 A HA 0.364 4.684 4.320 0.000 0.000 0.215 85 A C 2.096 179.787 177.584 0.179 0.000 1.244 85 A CA 2.380 54.502 52.037 0.142 0.000 0.604 85 A CB -1.102 17.977 19.000 0.131 0.000 0.900 85 A HN 1.973 nan 8.150 nan 0.000 0.455 86 G N -2.307 106.587 108.800 0.156 0.000 2.255 86 G HA2 -0.065 3.895 3.960 0.000 0.000 0.196 86 G HA3 -0.065 3.895 3.960 0.000 0.000 0.196 86 G C -0.110 174.796 174.900 0.009 0.000 0.998 86 G CA 0.650 45.824 45.100 0.123 0.000 0.656 86 G HN 0.810 nan 8.290 nan 0.000 0.490 87 D N -2.045 118.384 120.400 0.047 0.000 2.759 87 D HA 0.548 5.188 4.640 0.000 0.000 0.321 87 D C 1.236 177.562 176.300 0.043 0.000 1.267 87 D CA 0.918 54.934 54.000 0.026 0.000 0.933 87 D CB 0.685 41.503 40.800 0.031 0.000 1.431 87 D HN 1.300 nan 8.370 nan 0.000 0.504 88 G N -0.407 108.413 108.800 0.034 0.000 2.189 88 G HA2 -0.348 3.612 3.960 0.000 0.000 0.267 88 G HA3 -0.348 3.612 3.960 0.000 0.000 0.267 88 G C 1.021 175.949 174.900 0.047 0.000 0.975 88 G CA 1.989 47.114 45.100 0.041 0.000 0.644 88 G HN 0.707 nan 8.290 nan 0.000 0.537 89 T N -2.050 112.526 114.554 0.037 0.000 2.684 89 T HA -0.162 4.188 4.350 0.000 0.000 0.267 89 T C 2.216 176.932 174.700 0.028 0.000 1.036 89 T CA 2.506 64.625 62.100 0.032 0.000 1.148 89 T CB -0.781 68.096 68.868 0.014 0.000 0.863 89 T HN 0.373 nan 8.240 nan 0.000 0.436 90 T N 1.590 116.156 114.554 0.020 0.000 2.777 90 T HA -0.080 4.270 4.350 0.000 0.000 0.266 90 T C 2.296 177.010 174.700 0.024 0.000 1.040 90 T CA 1.716 63.827 62.100 0.018 0.000 1.141 90 T CB -0.903 67.973 68.868 0.013 0.000 0.868 90 T HN 0.477 nan 8.240 nan 0.000 0.444 91 T N 1.929 116.499 114.554 0.027 0.000 2.674 91 T HA -0.052 4.298 4.350 0.000 0.000 0.265 91 T C 2.393 177.114 174.700 0.036 0.000 1.039 91 T CA 1.295 63.413 62.100 0.029 0.000 1.150 91 T CB -0.666 68.219 68.868 0.029 0.000 0.864 91 T HN 0.416 nan 8.240 nan 0.000 0.427 92 A N 1.025 123.874 122.820 0.049 0.000 1.903 92 A HA -0.225 4.095 4.320 0.000 0.000 0.219 92 A C 2.536 180.152 177.584 0.052 0.000 1.191 92 A CA 2.570 54.646 52.037 0.064 0.000 0.638 92 A CB -1.431 17.629 19.000 0.101 0.000 0.823 92 A HN 0.502 nan 8.150 nan 0.000 0.451 93 T N -0.369 114.210 114.554 0.041 0.000 2.788 93 T HA -0.103 4.247 4.350 0.000 0.000 0.268 93 T C 1.854 176.570 174.700 0.027 0.000 1.044 93 T CA 1.586 63.705 62.100 0.032 0.000 1.139 93 T CB -0.431 68.451 68.868 0.023 0.000 0.867 93 T HN 0.233 nan 8.240 nan 0.000 0.454 94 V N 1.249 121.178 119.914 0.025 0.000 2.490 94 V HA -0.081 4.039 4.120 0.000 0.000 0.250 94 V C 2.362 178.469 176.094 0.022 0.000 1.061 94 V CA 1.321 63.634 62.300 0.021 0.000 1.064 94 V CB -0.706 31.128 31.823 0.019 0.000 0.670 94 V HN 0.422 nan 8.190 nan 0.000 0.461 95 L N 0.003 121.242 121.223 0.026 0.000 2.131 95 L HA -0.006 4.334 4.340 0.000 0.000 0.206 95 L C 2.697 179.582 176.870 0.026 0.000 1.087 95 L CA 1.236 56.091 54.840 0.024 0.000 0.767 95 L CB -0.622 41.452 42.059 0.026 0.000 0.917 95 L HN 0.327 nan 8.230 nan 0.000 0.441 96 A N 0.370 123.208 122.820 0.031 0.000 1.898 96 A HA -0.259 4.061 4.320 0.000 0.000 0.216 96 A C 2.201 179.800 177.584 0.025 0.000 1.181 96 A CA 1.643 53.699 52.037 0.032 0.000 0.620 96 A CB -0.558 18.465 19.000 0.038 0.000 0.819 96 A HN 0.540 nan 8.150 nan 0.000 0.442 97 Q N -0.262 119.551 119.800 0.022 0.000 2.291 97 Q HA 0.079 4.419 4.340 0.000 0.000 0.206 97 Q C 1.661 177.670 176.000 0.016 0.000 0.976 97 Q CA 1.917 57.731 55.803 0.018 0.000 0.875 97 Q CB -0.375 28.373 28.738 0.016 0.000 0.927 97 Q HN 0.483 nan 8.270 nan 0.000 0.450 98 A N 0.621 123.451 122.820 0.016 0.000 1.887 98 A HA 0.118 4.438 4.320 0.000 0.000 0.212 98 A C 2.053 179.644 177.584 0.013 0.000 1.198 98 A CA 0.725 52.770 52.037 0.014 0.000 0.628 98 A CB -0.348 18.661 19.000 0.014 0.000 0.847 98 A HN 0.401 nan 8.150 nan 0.000 0.449 99 I N 0.001 120.580 120.570 0.015 0.000 2.286 99 I HA -0.247 3.923 4.170 0.000 0.000 0.248 99 I C 2.246 178.371 176.117 0.014 0.000 1.115 99 I CA 1.198 62.507 61.300 0.015 0.000 1.392 99 I CB -0.317 37.694 38.000 0.018 0.000 1.065 99 I HN 0.292 nan 8.210 nan 0.000 0.418 100 I N 0.397 120.977 120.570 0.015 0.000 2.179 100 I HA -0.276 3.894 4.170 0.000 0.000 0.242 100 I C 2.565 178.689 176.117 0.011 0.000 1.088 100 I CA 1.644 62.952 61.300 0.014 0.000 1.357 100 I CB -0.561 37.449 38.000 0.016 0.000 1.051 100 I HN 0.239 nan 8.210 nan 0.000 0.409 101 T N -0.056 114.504 114.554 0.010 0.000 2.684 101 T HA -0.170 4.180 4.350 0.000 0.000 0.267 101 T C 1.845 176.549 174.700 0.007 0.000 1.036 101 T CA 1.230 63.335 62.100 0.008 0.000 1.148 101 T CB -0.179 68.694 68.868 0.008 0.000 0.863 101 T HN 0.233 nan 8.240 nan 0.000 0.436 102 E N 0.755 120.959 120.200 0.008 0.000 2.046 102 E HA 0.020 4.370 4.350 0.000 0.000 0.190 102 E C 2.504 179.108 176.600 0.007 0.000 0.982 102 E CA 1.067 57.471 56.400 0.007 0.000 0.800 102 E CB -1.050 28.654 29.700 0.007 0.000 0.756 102 E HN 0.512 nan 8.360 nan 0.000 0.449 103 G N 1.875 110.680 108.800 0.008 0.000 2.679 103 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 103 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 103 G C 1.698 176.602 174.900 0.007 0.000 1.267 103 G CA 1.379 46.484 45.100 0.008 0.000 0.799 103 G HN 0.264 nan 8.290 nan 0.000 0.606 104 L N 0.342 121.569 121.223 0.007 0.000 2.089 104 L HA -0.165 4.175 4.340 0.000 0.000 0.213 104 L C 2.830 179.702 176.870 0.003 0.000 1.079 104 L CA 1.781 56.624 54.840 0.004 0.000 0.758 104 L CB -0.464 41.597 42.059 0.003 0.000 0.891 104 L HN 0.258 nan 8.230 nan 0.000 0.433 105 K N 0.315 120.717 120.400 0.003 0.000 2.103 105 K HA -0.201 4.119 4.320 0.000 0.000 0.207 105 K C 2.172 178.773 176.600 0.003 0.000 1.048 105 K CA 1.404 57.692 56.287 0.003 0.000 0.930 105 K CB -0.067 32.434 32.500 0.003 0.000 0.716 105 K HN 0.327 nan 8.250 nan 0.000 0.444 106 A N 0.416 123.238 122.820 0.004 0.000 1.897 106 A HA -0.074 4.246 4.320 0.000 0.000 0.215 106 A C 2.184 179.770 177.584 0.003 0.000 1.181 106 A CA 1.236 53.275 52.037 0.003 0.000 0.620 106 A CB -0.483 18.519 19.000 0.004 0.000 0.821 106 A HN 0.144 nan 8.150 nan 0.000 0.443 107 V N 0.088 120.004 119.914 0.004 0.000 2.332 107 V HA -0.286 3.834 4.120 0.000 0.000 0.248 107 V C 2.936 179.031 176.094 0.003 0.000 1.055 107 V CA 1.955 64.258 62.300 0.004 0.000 1.038 107 V CB -1.164 30.662 31.823 0.006 0.000 0.651 107 V HN 0.595 nan 8.190 nan 0.000 0.450 108 A N -0.387 122.434 122.820 0.002 0.000 2.172 108 A HA 0.155 4.475 4.320 0.000 0.000 0.216 108 A C 2.103 179.687 177.584 0.000 0.000 1.154 108 A CA 1.312 53.350 52.037 0.000 0.000 0.701 108 A CB -0.427 18.573 19.000 -0.000 0.000 0.789 108 A HN 0.584 nan 8.150 nan 0.000 0.465 109 A N -1.847 120.973 122.820 0.001 0.000 2.278 109 A HA 0.439 4.759 4.320 0.000 0.000 0.212 109 A C 1.718 179.302 177.584 0.000 0.000 1.213 109 A CA 1.066 53.103 52.037 0.000 0.000 0.840 109 A CB -0.768 18.233 19.000 0.001 0.000 0.866 109 A HN 1.713 nan 8.150 nan 0.000 0.489 110 G N -1.764 107.036 108.800 0.000 0.000 2.195 110 G HA2 -0.274 3.686 3.960 0.000 0.000 0.246 110 G HA3 -0.274 3.686 3.960 0.000 0.000 0.246 110 G C 0.280 175.181 174.900 0.001 0.000 0.984 110 G CA 0.386 45.486 45.100 0.000 0.000 0.633 110 G HN 0.379 nan 8.290 nan 0.000 0.525 111 M N 0.890 120.491 119.600 0.002 0.000 2.243 111 M HA 0.309 4.789 4.480 0.000 0.000 0.309 111 M C 0.726 177.028 176.300 0.004 0.000 1.050 111 M CA 0.378 55.680 55.300 0.003 0.000 1.139 111 M CB 0.249 32.852 32.600 0.004 0.000 1.457 111 M HN 0.377 nan 8.290 nan 0.000 0.440 112 N N 2.228 120.931 118.700 0.005 0.000 2.485 112 N HA 0.356 5.096 4.740 0.000 0.000 0.243 112 N C -2.430 173.084 175.510 0.008 0.000 0.987 112 N CA -1.923 51.131 53.050 0.006 0.000 0.940 112 N CB 1.165 39.655 38.487 0.005 0.000 1.122 112 N HN 0.171 nan 8.380 nan 0.000 0.509 113 P HA -0.160 nan 4.420 nan 0.000 0.216 113 P C 1.427 178.733 177.300 0.011 0.000 1.153 113 P CA 0.956 64.062 63.100 0.011 0.000 0.858 113 P CB 0.126 31.834 31.700 0.013 0.000 0.789 114 M N -0.583 119.024 119.600 0.012 0.000 2.337 114 M HA -0.152 4.328 4.480 0.000 0.000 0.261 114 M C 1.103 177.409 176.300 0.010 0.000 1.067 114 M CA 1.555 56.862 55.300 0.012 0.000 1.074 114 M CB -1.485 31.122 32.600 0.012 0.000 1.395 114 M HN -0.112 nan 8.290 nan 0.000 0.431 115 D N -1.011 119.394 120.400 0.009 0.000 2.201 115 D HA 0.048 4.688 4.640 0.000 0.000 0.209 115 D C 2.126 178.431 176.300 0.008 0.000 0.961 115 D CA 0.664 54.669 54.000 0.007 0.000 0.861 115 D CB -0.060 40.744 40.800 0.006 0.000 0.997 115 D HN 0.304 nan 8.370 nan 0.000 0.486 116 L N 1.050 122.277 121.223 0.008 0.000 2.043 116 L HA -0.220 4.120 4.340 0.000 0.000 0.212 116 L C 2.506 179.381 176.870 0.009 0.000 1.075 116 L CA 1.269 56.113 54.840 0.008 0.000 0.752 116 L CB -0.397 41.667 42.059 0.008 0.000 0.891 116 L HN 0.017 nan 8.230 nan 0.000 0.432 117 K N 0.448 120.854 120.400 0.011 0.000 1.987 117 K HA -0.218 4.102 4.320 0.000 0.000 0.216 117 K C 2.291 178.897 176.600 0.010 0.000 1.051 117 K CA 1.637 57.931 56.287 0.012 0.000 0.942 117 K CB -0.097 32.411 32.500 0.014 0.000 0.722 117 K HN 0.162 nan 8.250 nan 0.000 0.444 118 R N -0.249 120.257 120.500 0.009 0.000 2.133 118 R HA -0.155 4.185 4.340 0.000 0.000 0.247 118 R C 2.423 178.727 176.300 0.007 0.000 1.151 118 R CA 1.388 57.492 56.100 0.008 0.000 0.971 118 R CB -0.730 29.575 30.300 0.007 0.000 0.866 118 R HN 0.479 nan 8.270 nan 0.000 0.447 119 G N 1.678 110.482 108.800 0.006 0.000 2.480 119 G HA2 -0.253 3.707 3.960 0.000 0.000 0.216 119 G HA3 -0.253 3.707 3.960 0.000 0.000 0.216 119 G C 1.481 176.385 174.900 0.005 0.000 1.200 119 G CA 0.736 45.839 45.100 0.005 0.000 0.782 119 G HN 0.160 nan 8.290 nan 0.000 0.554 120 I N 1.340 121.915 120.570 0.007 0.000 2.145 120 I HA -0.225 3.945 4.170 0.000 0.000 0.244 120 I C 2.341 178.462 176.117 0.005 0.000 1.075 120 I CA 1.774 63.078 61.300 0.007 0.000 1.332 120 I CB -0.098 37.908 38.000 0.010 0.000 1.033 120 I HN 0.135 nan 8.210 nan 0.000 0.410 121 D N 0.167 120.571 120.400 0.006 0.000 2.149 121 D HA -0.181 4.459 4.640 0.000 0.000 0.201 121 D C 2.055 178.356 176.300 0.001 0.000 0.972 121 D CA 0.953 54.956 54.000 0.004 0.000 0.835 121 D CB -0.254 40.550 40.800 0.007 0.000 0.966 121 D HN 0.343 nan 8.370 nan 0.000 0.476 122 K N 1.149 121.550 120.400 0.002 0.000 2.063 122 K HA -0.121 4.199 4.320 0.000 0.000 0.208 122 K C 2.065 178.665 176.600 -0.001 0.000 1.048 122 K CA 1.330 57.617 56.287 0.001 0.000 0.928 122 K CB -0.015 32.486 32.500 0.002 0.000 0.713 122 K HN 0.000 nan 8.250 nan 0.000 0.442 123 A N 0.543 123.363 122.820 0.000 0.000 1.902 123 A HA -0.108 4.212 4.320 0.000 0.000 0.217 123 A C 2.237 179.819 177.584 -0.003 0.000 1.181 123 A CA 1.631 53.668 52.037 -0.000 0.000 0.623 123 A CB -0.632 18.369 19.000 0.002 0.000 0.818 123 A HN 0.185 nan 8.150 nan 0.000 0.443 124 V N 0.029 119.940 119.914 -0.005 0.000 2.407 124 V HA -0.221 3.899 4.120 0.000 0.000 0.248 124 V C 2.729 178.814 176.094 -0.016 0.000 1.055 124 V CA 2.424 64.717 62.300 -0.011 0.000 1.049 124 V CB -1.181 30.633 31.823 -0.014 0.000 0.662 124 V HN 0.648 nan 8.190 nan 0.000 0.455 125 T N 0.303 114.850 114.554 -0.012 0.000 2.833 125 T HA -0.139 4.211 4.350 0.000 0.000 0.269 125 T C 2.015 176.709 174.700 -0.011 0.000 1.054 125 T CA 1.461 63.553 62.100 -0.013 0.000 1.135 125 T CB -0.352 68.511 68.868 -0.008 0.000 0.869 125 T HN 0.572 nan 8.240 nan 0.000 0.466 126 A N 1.682 124.498 122.820 -0.008 0.000 1.854 126 A HA 0.282 4.602 4.320 0.000 0.000 0.214 126 A C 2.722 180.302 177.584 -0.007 0.000 1.192 126 A CA 1.585 53.618 52.037 -0.006 0.000 0.611 126 A CB -1.272 17.726 19.000 -0.003 0.000 0.832 126 A HN 0.487 nan 8.150 nan 0.000 0.442 127 A N -0.571 122.245 122.820 -0.007 0.000 1.986 127 A HA -0.063 4.257 4.320 0.000 0.000 0.220 127 A C 2.199 179.775 177.584 -0.012 0.000 1.171 127 A CA 2.007 54.039 52.037 -0.008 0.000 0.640 127 A CB -0.869 18.126 19.000 -0.008 0.000 0.811 127 A HN 0.417 nan 8.150 nan 0.000 0.451 128 V N -0.405 119.498 119.914 -0.018 0.000 2.453 128 V HA -0.145 3.975 4.120 0.000 0.000 0.247 128 V C 2.540 178.624 176.094 -0.017 0.000 1.048 128 V CA 1.903 64.188 62.300 -0.024 0.000 1.049 128 V CB -0.639 31.163 31.823 -0.035 0.000 0.672 128 V HN 0.450 nan 8.190 nan 0.000 0.457 129 E N 0.211 120.403 120.200 -0.013 0.000 2.097 129 E HA -0.211 4.139 4.350 0.000 0.000 0.196 129 E C 2.304 178.901 176.600 -0.005 0.000 1.000 129 E CA 1.259 57.654 56.400 -0.008 0.000 0.804 129 E CB -0.209 29.487 29.700 -0.006 0.000 0.740 129 E HN 0.513 nan 8.360 nan 0.000 0.454 130 E N -0.064 120.133 120.200 -0.004 0.000 2.072 130 E HA -0.048 4.302 4.350 0.000 0.000 0.190 130 E C 2.402 179.002 176.600 0.000 0.000 0.982 130 E CA 0.255 56.655 56.400 -0.001 0.000 0.803 130 E CB -0.224 29.477 29.700 0.001 0.000 0.755 130 E HN 0.287 nan 8.360 nan 0.000 0.453 131 L N 0.777 121.999 121.223 -0.002 0.000 2.042 131 L HA -0.224 4.116 4.340 0.000 0.000 0.210 131 L C 2.323 179.191 176.870 -0.002 0.000 1.076 131 L CA 1.142 55.980 54.840 -0.002 0.000 0.749 131 L CB -0.372 41.682 42.059 -0.007 0.000 0.893 131 L HN -0.011 nan 8.230 nan 0.000 0.432 132 K N 0.124 120.522 120.400 -0.005 0.000 2.211 132 K HA -0.142 4.178 4.320 0.000 0.000 0.204 132 K C 2.024 178.624 176.600 -0.000 0.000 1.047 132 K CA 1.393 57.678 56.287 -0.003 0.000 0.935 132 K CB -0.527 31.970 32.500 -0.005 0.000 0.728 132 K HN 0.344 nan 8.250 nan 0.000 0.452 133 A N -0.443 122.378 122.820 0.001 0.000 1.898 133 A HA -0.016 4.304 4.320 0.000 0.000 0.214 133 A C 1.947 179.534 177.584 0.005 0.000 1.183 133 A CA 0.847 52.886 52.037 0.003 0.000 0.622 133 A CB -0.315 18.687 19.000 0.003 0.000 0.824 133 A HN 0.174 nan 8.150 nan 0.000 0.444 134 L N 0.212 121.440 121.223 0.007 0.000 2.240 134 L HA 0.046 4.386 4.340 0.000 0.000 0.211 134 L C 1.648 178.524 176.870 0.010 0.000 1.106 134 L CA 1.070 55.916 54.840 0.010 0.000 0.793 134 L CB -0.272 41.794 42.059 0.012 0.000 0.927 134 L HN 0.373 nan 8.230 nan 0.000 0.446 135 S N -0.076 115.629 115.700 0.007 0.000 2.549 135 S HA 0.330 4.800 4.470 0.000 0.000 0.283 135 S C -0.201 174.403 174.600 0.007 0.000 1.320 135 S CA -0.522 57.682 58.200 0.007 0.000 1.058 135 S CB 0.432 63.635 63.200 0.004 0.000 0.882 135 S HN 0.121 nan 8.310 nan 0.000 0.498 136 V N 2.443 122.361 119.914 0.008 0.000 2.769 136 V HA 0.744 4.864 4.120 0.000 0.000 0.312 136 V C -2.757 173.341 176.094 0.007 0.000 1.061 136 V CA -2.696 59.609 62.300 0.007 0.000 0.931 136 V CB 0.809 32.637 31.823 0.009 0.000 1.010 136 V HN 0.712 nan 8.190 nan 0.000 0.433 137 P HA 0.267 nan 4.420 nan 0.000 0.270 137 P C -0.667 176.636 177.300 0.006 0.000 1.227 137 P CA -0.108 62.995 63.100 0.005 0.000 0.788 137 P CB 0.391 32.093 31.700 0.004 0.000 0.926 138 C N 1.507 120.810 119.300 0.005 0.000 2.660 138 C HA 0.582 5.042 4.460 0.000 0.000 0.336 138 C C 0.931 175.924 174.990 0.005 0.000 1.058 138 C CA 0.514 59.535 59.018 0.006 0.000 1.368 138 C CB -0.596 27.148 27.740 0.008 0.000 1.884 138 C HN 0.681 nan 8.230 nan 0.000 0.454 139 S N 2.132 117.835 115.700 0.004 0.000 2.727 139 S HA 0.204 4.674 4.470 0.000 0.000 0.249 139 S C 0.008 174.610 174.600 0.003 0.000 1.079 139 S CA 0.279 58.481 58.200 0.003 0.000 0.912 139 S CB -0.331 62.871 63.200 0.002 0.000 0.861 139 S HN 0.883 nan 8.310 nan 0.000 0.484 140 D N 2.414 122.816 120.400 0.004 0.000 2.382 140 D HA 0.283 4.923 4.640 0.000 0.000 0.245 140 D C 0.723 177.026 176.300 0.004 0.000 1.120 140 D CA 0.027 54.029 54.000 0.003 0.000 0.890 140 D CB 1.239 42.041 40.800 0.003 0.000 1.201 140 D HN 0.089 nan 8.370 nan 0.000 0.433 141 S N 1.772 117.474 115.700 0.003 0.000 2.399 141 S HA -0.310 4.160 4.470 0.000 0.000 0.235 141 S C 1.604 176.207 174.600 0.004 0.000 1.063 141 S CA 2.033 60.235 58.200 0.004 0.000 1.070 141 S CB -0.319 62.883 63.200 0.003 0.000 0.904 141 S HN 0.756 nan 8.310 nan 0.000 0.456 142 K N 1.182 121.584 120.400 0.004 0.000 2.057 142 K HA -0.046 4.274 4.320 0.000 0.000 0.207 142 K C 2.156 178.758 176.600 0.004 0.000 1.049 142 K CA 1.291 57.580 56.287 0.003 0.000 0.931 142 K CB -0.373 32.129 32.500 0.003 0.000 0.714 142 K HN 0.301 nan 8.250 nan 0.000 0.440 143 A N 1.007 123.829 122.820 0.005 0.000 1.968 143 A HA -0.044 4.276 4.320 0.000 0.000 0.217 143 A C 2.077 179.665 177.584 0.007 0.000 1.169 143 A CA 1.119 53.159 52.037 0.006 0.000 0.638 143 A CB -0.450 18.554 19.000 0.006 0.000 0.812 143 A HN 0.361 nan 8.150 nan 0.000 0.446 144 I N -0.228 120.346 120.570 0.007 0.000 2.179 144 I HA -0.281 3.889 4.170 0.000 0.000 0.242 144 I C 2.975 179.098 176.117 0.009 0.000 1.088 144 I CA 1.056 62.361 61.300 0.009 0.000 1.357 144 I CB -0.289 37.716 38.000 0.008 0.000 1.051 144 I HN 0.353 nan 8.210 nan 0.000 0.409 145 A N -0.096 122.728 122.820 0.007 0.000 1.986 145 A HA -0.308 4.012 4.320 0.000 0.000 0.220 145 A C 2.202 179.789 177.584 0.005 0.000 1.171 145 A CA 1.873 53.914 52.037 0.006 0.000 0.640 145 A CB -0.623 18.380 19.000 0.004 0.000 0.811 145 A HN 0.492 nan 8.150 nan 0.000 0.451 146 Q N -0.696 119.106 119.800 0.004 0.000 2.046 146 Q HA -0.104 4.236 4.340 0.000 0.000 0.200 146 Q C 2.317 178.320 176.000 0.005 0.000 0.975 146 Q CA 2.047 57.852 55.803 0.002 0.000 0.836 146 Q CB -0.441 28.298 28.738 0.002 0.000 0.896 146 Q HN 0.758 nan 8.270 nan 0.000 0.428 147 V N -1.812 118.107 119.914 0.008 0.000 2.343 147 V HA -0.120 4.000 4.120 0.000 0.000 0.247 147 V C 1.984 178.086 176.094 0.013 0.000 1.051 147 V CA 2.118 64.424 62.300 0.011 0.000 1.036 147 V CB -1.668 30.164 31.823 0.016 0.000 0.654 147 V HN 0.387 nan 8.190 nan 0.000 0.451 148 G N 0.310 109.118 108.800 0.015 0.000 2.599 148 G HA2 -0.351 3.609 3.960 0.000 0.000 0.219 148 G HA3 -0.351 3.609 3.960 0.000 0.000 0.219 148 G C 1.579 176.485 174.900 0.009 0.000 1.193 148 G CA 2.230 47.339 45.100 0.015 0.000 0.778 148 G HN 0.522 nan 8.290 nan 0.000 0.589 149 T N 1.146 115.703 114.554 0.005 0.000 2.635 149 T HA -0.150 4.200 4.350 0.000 0.000 0.267 149 T C 2.414 177.112 174.700 -0.003 0.000 1.040 149 T CA 1.506 63.605 62.100 -0.000 0.000 1.156 149 T CB -0.230 68.636 68.868 -0.003 0.000 0.863 149 T HN 0.165 nan 8.240 nan 0.000 0.430 150 I N 0.797 121.366 120.570 -0.002 0.000 2.394 150 I HA -0.106 4.064 4.170 0.000 0.000 0.251 150 I C 2.636 178.752 176.117 -0.002 0.000 1.136 150 I CA 0.819 62.116 61.300 -0.005 0.000 1.425 150 I CB -0.438 37.559 38.000 -0.005 0.000 1.079 150 I HN 0.167 nan 8.210 nan 0.000 0.425 151 S N 0.385 116.087 115.700 0.004 0.000 2.368 151 S HA -0.066 4.404 4.470 0.000 0.000 0.225 151 S C 1.787 176.387 174.600 -0.001 0.000 1.030 151 S CA 1.145 59.348 58.200 0.005 0.000 0.999 151 S CB -0.248 62.960 63.200 0.013 0.000 0.844 151 S HN 0.414 nan 8.310 nan 0.000 0.459 152 A N 1.267 124.086 122.820 -0.001 0.000 2.840 152 A HA 0.368 4.688 4.320 0.000 0.000 0.269 152 A C 0.468 178.048 177.584 -0.006 0.000 1.439 152 A CA -0.201 51.834 52.037 -0.003 0.000 1.083 152 A CB -1.421 17.579 19.000 -0.001 0.000 1.019 152 A HN 0.752 nan 8.150 nan 0.000 0.607 153 N N 0.545 119.241 118.700 -0.007 0.000 2.669 153 N HA -0.219 4.521 4.740 0.000 0.000 0.266 153 N C -0.020 175.483 175.510 -0.012 0.000 1.024 153 N CA 0.471 53.515 53.050 -0.010 0.000 0.766 153 N CB -0.689 37.792 38.487 -0.010 0.000 0.898 153 N HN 0.507 nan 8.380 nan 0.000 0.548 154 S N -0.324 115.368 115.700 -0.013 0.000 3.698 154 S HA -0.207 4.263 4.470 0.000 0.000 0.338 154 S C -0.568 174.024 174.600 -0.013 0.000 1.089 154 S CA 1.023 59.213 58.200 -0.016 0.000 0.991 154 S CB -0.641 62.546 63.200 -0.022 0.000 0.909 154 S HN 0.714 nan 8.310 nan 0.000 0.485 155 D N 0.823 121.217 120.400 -0.009 0.000 2.472 155 D HA 0.290 4.930 4.640 0.000 0.000 0.234 155 D C 1.055 177.352 176.300 -0.005 0.000 1.088 155 D CA -0.510 53.486 54.000 -0.007 0.000 0.882 155 D CB 0.619 41.416 40.800 -0.005 0.000 1.037 155 D HN 0.365 nan 8.370 nan 0.000 0.520 156 E N 1.085 121.281 120.200 -0.006 0.000 2.160 156 E HA -0.144 4.206 4.350 0.000 0.000 0.195 156 E C 1.248 177.847 176.600 -0.002 0.000 0.991 156 E CA 1.273 57.670 56.400 -0.004 0.000 0.810 156 E CB 0.338 30.034 29.700 -0.006 0.000 0.742 156 E HN 0.516 nan 8.360 nan 0.000 0.466 157 T N 0.671 115.224 114.554 -0.002 0.000 2.746 157 T HA -0.118 4.232 4.350 0.000 0.000 0.267 157 T C 2.164 176.866 174.700 0.002 0.000 1.039 157 T CA 1.217 63.317 62.100 0.000 0.000 1.142 157 T CB -0.228 68.640 68.868 -0.000 0.000 0.866 157 T HN 0.009 nan 8.240 nan 0.000 0.444 158 V N 1.590 121.505 119.914 0.003 0.000 2.379 158 V HA -0.013 4.107 4.120 0.000 0.000 0.245 158 V C 2.893 178.991 176.094 0.007 0.000 1.044 158 V CA 1.690 63.993 62.300 0.005 0.000 1.036 158 V CB -1.608 30.218 31.823 0.005 0.000 0.664 158 V HN 0.560 nan 8.190 nan 0.000 0.453 159 G N 0.605 109.408 108.800 0.005 0.000 2.587 159 G HA2 -0.386 3.574 3.960 0.000 0.000 0.217 159 G HA3 -0.386 3.574 3.960 0.000 0.000 0.217 159 G C 1.540 176.444 174.900 0.006 0.000 1.240 159 G CA 1.436 46.540 45.100 0.006 0.000 0.794 159 G HN 0.475 nan 8.290 nan 0.000 0.580 160 K N -0.185 120.218 120.400 0.004 0.000 2.107 160 K HA -0.148 4.172 4.320 0.000 0.000 0.211 160 K C 2.307 178.910 176.600 0.005 0.000 1.049 160 K CA 1.350 57.640 56.287 0.004 0.000 0.927 160 K CB -0.680 31.821 32.500 0.002 0.000 0.714 160 K HN 0.253 nan 8.250 nan 0.000 0.452 161 L N 0.398 121.625 121.223 0.006 0.000 2.072 161 L HA 0.074 4.414 4.340 0.000 0.000 0.205 161 L C 2.120 178.995 176.870 0.009 0.000 1.079 161 L CA 1.469 56.313 54.840 0.007 0.000 0.752 161 L CB -0.489 41.575 42.059 0.008 0.000 0.906 161 L HN 0.297 nan 8.230 nan 0.000 0.436 162 I N -0.945 119.632 120.570 0.012 0.000 2.286 162 I HA -0.246 3.924 4.170 0.000 0.000 0.245 162 I C 2.528 178.651 176.117 0.011 0.000 1.104 162 I CA 1.082 62.391 61.300 0.015 0.000 1.397 162 I CB -0.408 37.604 38.000 0.019 0.000 1.072 162 I HN 0.247 nan 8.210 nan 0.000 0.417 163 A N 0.218 123.044 122.820 0.010 0.000 1.883 163 A HA -0.273 4.047 4.320 0.000 0.000 0.217 163 A C 2.234 179.821 177.584 0.006 0.000 1.186 163 A CA 1.907 53.949 52.037 0.008 0.000 0.624 163 A CB -0.692 18.312 19.000 0.006 0.000 0.822 163 A HN 0.433 nan 8.150 nan 0.000 0.444 164 E N -0.499 119.704 120.200 0.006 0.000 2.085 164 E HA -0.152 4.198 4.350 0.000 0.000 0.194 164 E C 2.345 178.949 176.600 0.005 0.000 0.994 164 E CA 0.908 57.311 56.400 0.005 0.000 0.801 164 E CB -0.277 29.426 29.700 0.004 0.000 0.743 164 E HN 0.632 nan 8.360 nan 0.000 0.453 165 A N 1.414 124.238 122.820 0.007 0.000 1.841 165 A HA -0.230 4.090 4.320 0.000 0.000 0.216 165 A C 2.198 179.785 177.584 0.005 0.000 1.199 165 A CA 1.825 53.866 52.037 0.007 0.000 0.621 165 A CB -0.657 18.349 19.000 0.010 0.000 0.835 165 A HN 0.164 nan 8.150 nan 0.000 0.445 166 M N -0.729 118.874 119.600 0.006 0.000 2.260 166 M HA -0.197 4.283 4.480 0.000 0.000 0.261 166 M C 1.728 178.029 176.300 0.002 0.000 1.066 166 M CA 2.005 57.307 55.300 0.003 0.000 1.082 166 M CB -0.822 31.780 32.600 0.004 0.000 1.388 166 M HN 0.557 nan 8.290 nan 0.000 0.419 167 D N 0.724 121.126 120.400 0.003 0.000 2.117 167 D HA -0.117 4.523 4.640 0.000 0.000 0.198 167 D C 1.872 178.173 176.300 0.002 0.000 0.982 167 D CA 1.324 55.325 54.000 0.002 0.000 0.828 167 D CB 0.217 41.019 40.800 0.003 0.000 0.967 167 D HN 0.253 nan 8.370 nan 0.000 0.464 168 K N -0.727 119.675 120.400 0.002 0.000 2.262 168 K HA 0.033 4.353 4.320 0.000 0.000 0.200 168 K C 1.946 178.547 176.600 0.002 0.000 1.049 168 K CA 0.736 57.025 56.287 0.002 0.000 0.979 168 K CB 0.563 33.065 32.500 0.003 0.000 0.773 168 K HN 0.151 nan 8.250 nan 0.000 0.474 169 V N -2.662 117.253 119.914 0.002 0.000 2.878 169 V HA 0.311 4.431 4.120 0.000 0.000 0.250 169 V C 0.963 177.057 176.094 -0.001 0.000 1.075 169 V CA 0.492 62.793 62.300 0.001 0.000 1.096 169 V CB -0.640 31.184 31.823 0.001 0.000 0.724 169 V HN 0.348 nan 8.190 nan 0.000 0.467 170 G N 0.560 109.359 108.800 -0.001 0.000 2.582 170 G HA2 -0.195 3.765 3.960 0.000 0.000 0.222 170 G HA3 -0.195 3.765 3.960 0.000 0.000 0.222 170 G C 0.127 175.025 174.900 -0.004 0.000 1.311 170 G CA 0.188 45.286 45.100 -0.002 0.000 0.915 170 G HN 0.309 nan 8.290 nan 0.000 0.528 171 K N -0.045 120.352 120.400 -0.005 0.000 2.166 171 K HA 0.107 4.427 4.320 0.000 0.000 0.201 171 K C 1.816 178.409 176.600 -0.011 0.000 1.052 171 K CA 1.075 57.357 56.287 -0.008 0.000 0.969 171 K CB 0.007 32.502 32.500 -0.007 0.000 0.761 171 K HN 0.359 nan 8.250 nan 0.000 0.459 172 E N 0.761 120.955 120.200 -0.010 0.000 2.526 172 E HA 0.000 4.350 4.350 0.000 0.000 0.198 172 E C 0.418 177.010 176.600 -0.013 0.000 1.091 172 E CA 0.254 56.646 56.400 -0.013 0.000 0.880 172 E CB 0.081 29.773 29.700 -0.012 0.000 0.873 172 E HN 0.253 nan 8.360 nan 0.000 0.527 173 G N 0.036 108.830 108.800 -0.011 0.000 2.420 173 G HA2 0.457 4.417 3.960 0.000 0.000 0.331 173 G HA3 0.457 4.417 3.960 0.000 0.000 0.331 173 G C -0.391 174.503 174.900 -0.010 0.000 1.168 173 G CA -0.499 44.596 45.100 -0.009 0.000 0.936 173 G HN -0.061 nan 8.290 nan 0.000 0.479 174 V N 1.291 121.201 119.914 -0.007 0.000 2.617 174 V HA 0.551 4.671 4.120 0.000 0.000 0.298 174 V C -0.056 176.039 176.094 0.001 0.000 1.048 174 V CA -0.505 61.791 62.300 -0.007 0.000 0.964 174 V CB 1.425 33.244 31.823 -0.006 0.000 1.004 174 V HN 0.579 nan 8.190 nan 0.000 0.466 175 I N 3.021 123.593 120.570 0.003 0.000 2.512 175 I HA 0.455 4.625 4.170 0.000 0.000 0.287 175 I C -0.019 176.110 176.117 0.020 0.000 1.069 175 I CA -0.213 61.094 61.300 0.012 0.000 1.056 175 I CB 2.351 40.359 38.000 0.013 0.000 1.229 175 I HN 0.755 nan 8.210 nan 0.000 0.429 176 T N 2.817 117.385 114.554 0.023 0.000 2.925 176 T HA 0.692 5.042 4.350 0.000 0.000 0.285 176 T C -0.546 174.173 174.700 0.032 0.000 1.021 176 T CA -0.891 61.228 62.100 0.032 0.000 1.042 176 T CB 2.458 71.344 68.868 0.029 0.000 1.037 176 T HN 0.316 nan 8.240 nan 0.000 0.481 177 V N 1.844 121.781 119.914 0.038 0.000 2.495 177 V HA 0.815 4.935 4.120 0.000 0.000 0.298 177 V C -1.408 174.702 176.094 0.027 0.000 1.031 177 V CA -0.492 61.826 62.300 0.031 0.000 0.871 177 V CB 1.160 33.004 31.823 0.035 0.000 0.988 177 V HN 1.191 nan 8.190 nan 0.000 0.432 178 E N 3.355 123.567 120.200 0.020 0.000 2.437 178 E HA 0.484 4.834 4.350 0.000 0.000 0.280 178 E C -1.859 174.748 176.600 0.012 0.000 1.044 178 E CA -1.010 55.401 56.400 0.017 0.000 0.826 178 E CB 0.680 30.390 29.700 0.017 0.000 1.358 178 E HN 0.495 nan 8.360 nan 0.000 0.459 179 D N 0.710 121.117 120.400 0.011 0.000 2.458 179 D HA 0.292 4.932 4.640 0.000 0.000 0.243 179 D C 0.263 176.567 176.300 0.007 0.000 1.146 179 D CA 0.521 54.526 54.000 0.008 0.000 0.877 179 D CB 0.927 41.732 40.800 0.008 0.000 1.176 179 D HN 0.553 nan 8.370 nan 0.000 0.461 180 G N 0.148 108.952 108.800 0.005 0.000 2.522 180 G HA2 0.370 4.330 3.960 0.000 0.000 0.304 180 G HA3 0.370 4.330 3.960 0.000 0.000 0.304 180 G C 1.028 175.929 174.900 0.003 0.000 1.210 180 G CA -0.162 44.941 45.100 0.004 0.000 0.960 180 G HN 0.433 nan 8.290 nan 0.000 0.497 181 T N -1.928 112.628 114.554 0.002 0.000 2.988 181 T HA 0.260 4.610 4.350 0.000 0.000 0.240 181 T C 1.638 176.339 174.700 0.001 0.000 1.014 181 T CA 0.898 62.999 62.100 0.002 0.000 1.155 181 T CB -0.551 68.317 68.868 0.001 0.000 0.872 181 T HN 0.754 nan 8.240 nan 0.000 0.440 182 G N 0.973 109.773 108.800 0.001 0.000 2.479 182 G HA2 0.418 4.378 3.960 0.000 0.000 0.275 182 G HA3 0.418 4.378 3.960 0.000 0.000 0.275 182 G C 0.629 175.530 174.900 0.001 0.000 1.421 182 G CA -0.451 44.649 45.100 0.001 0.000 1.059 182 G HN 0.344 nan 8.290 nan 0.000 0.535 183 L N -0.741 120.482 121.223 0.000 0.000 2.416 183 L HA 0.124 4.464 4.340 0.000 0.000 0.216 183 L C 0.573 177.443 176.870 0.000 0.000 1.098 183 L CA 0.621 55.461 54.840 0.000 0.000 0.840 183 L CB -0.251 41.808 42.059 -0.000 0.000 0.981 183 L HN 0.512 nan 8.230 nan 0.000 0.462 184 Q N -0.278 119.522 119.800 0.001 0.000 2.266 184 Q HA 0.294 4.634 4.340 0.000 0.000 0.261 184 Q C -0.645 175.356 176.000 0.002 0.000 0.985 184 Q CA -0.679 55.125 55.803 0.001 0.000 0.873 184 Q CB 0.661 29.399 28.738 0.000 0.000 1.306 184 Q HN 0.017 nan 8.270 nan 0.000 0.447 185 D N 1.385 121.786 120.400 0.002 0.000 2.400 185 D HA 0.072 4.712 4.640 0.000 0.000 0.238 185 D C -0.402 175.900 176.300 0.003 0.000 1.157 185 D CA 0.285 54.287 54.000 0.003 0.000 0.889 185 D CB 0.961 41.763 40.800 0.004 0.000 1.199 185 D HN 0.641 nan 8.370 nan 0.000 0.436 186 E N 0.858 121.061 120.200 0.004 0.000 2.335 186 E HA 0.324 4.674 4.350 0.000 0.000 0.280 186 E C -1.990 174.613 176.600 0.005 0.000 0.918 186 E CA -0.803 55.599 56.400 0.004 0.000 0.765 186 E CB 1.913 31.614 29.700 0.003 0.000 1.218 186 E HN 0.204 nan 8.360 nan 0.000 0.425 187 L N 3.976 125.201 121.223 0.004 0.000 2.287 187 L HA 0.511 4.851 4.340 0.000 0.000 0.287 187 L C -1.341 175.532 176.870 0.004 0.000 1.022 187 L CA -0.184 54.659 54.840 0.005 0.000 0.814 187 L CB 1.387 43.450 42.059 0.005 0.000 1.217 187 L HN 0.437 nan 8.230 nan 0.000 0.420 188 D N 4.462 124.865 120.400 0.004 0.000 2.308 188 D HA 0.446 5.086 4.640 0.000 0.000 0.242 188 D C -0.963 175.339 176.300 0.004 0.000 1.059 188 D CA -0.056 53.946 54.000 0.003 0.000 0.830 188 D CB 2.521 43.322 40.800 0.002 0.000 1.161 188 D HN 0.281 nan 8.370 nan 0.000 0.494 189 V N 2.488 122.404 119.914 0.003 0.000 2.495 189 V HA 0.332 4.452 4.120 0.000 0.000 0.298 189 V C 0.048 176.144 176.094 0.003 0.000 1.031 189 V CA -0.803 61.499 62.300 0.004 0.000 0.871 189 V CB 2.150 33.975 31.823 0.004 0.000 0.988 189 V HN 0.263 nan 8.190 nan 0.000 0.432 190 V N 3.917 123.834 119.914 0.005 0.000 2.398 190 V HA 0.468 4.588 4.120 0.000 0.000 0.286 190 V C 0.000 176.099 176.094 0.008 0.000 1.026 190 V CA -0.799 61.504 62.300 0.005 0.000 0.868 190 V CB 1.599 33.426 31.823 0.007 0.000 0.982 190 V HN 0.781 nan 8.190 nan 0.000 0.443 191 E N 2.845 123.049 120.200 0.007 0.000 2.283 191 E HA 0.543 4.893 4.350 0.000 0.000 0.278 191 E C 0.824 177.432 176.600 0.013 0.000 1.027 191 E CA 0.869 57.274 56.400 0.008 0.000 0.843 191 E CB 1.625 31.328 29.700 0.005 0.000 1.062 191 E HN 0.999 nan 8.360 nan 0.000 0.401 192 G N 2.884 111.692 108.800 0.014 0.000 2.528 192 G HA2 -0.318 3.642 3.960 0.000 0.000 0.262 192 G HA3 -0.318 3.642 3.960 0.000 0.000 0.262 192 G C -0.096 174.823 174.900 0.031 0.000 1.200 192 G CA 0.364 45.476 45.100 0.020 0.000 0.951 192 G HN 0.568 nan 8.290 nan 0.000 0.566 193 M N 0.710 120.339 119.600 0.048 0.000 2.294 193 M HA 0.759 5.239 4.480 0.000 0.000 0.335 193 M C -0.484 175.898 176.300 0.135 0.000 1.079 193 M CA -0.515 54.833 55.300 0.080 0.000 0.982 193 M CB 1.688 34.332 32.600 0.072 0.000 1.651 193 M HN 0.917 nan 8.290 nan 0.000 0.437 194 Q N 4.180 124.081 119.800 0.169 0.000 2.418 194 Q HA 0.663 5.003 4.340 0.000 0.000 0.282 194 Q C -2.152 174.020 176.000 0.287 0.000 1.044 194 Q CA -0.761 55.149 55.803 0.179 0.000 0.813 194 Q CB 2.320 31.081 28.738 0.038 0.000 1.428 194 Q HN 0.800 nan 8.270 nan 0.000 0.402 195 F N -1.024 118.919 119.950 -0.013 0.000 2.685 195 F HA 0.491 5.018 4.527 0.000 0.000 0.315 195 F C -1.032 174.760 175.800 -0.015 0.000 1.126 195 F CA -1.352 56.642 58.000 -0.010 0.000 0.950 195 F CB 0.745 39.740 39.000 -0.007 0.000 1.360 195 F HN 0.403 nan 8.300 nan 0.000 0.469 196 D N 1.442 121.902 120.400 0.101 0.000 2.934 196 D HA 0.270 4.910 4.640 0.000 0.000 0.237 196 D C -0.524 175.756 176.300 -0.034 0.000 1.158 196 D CA 0.016 54.014 54.000 -0.004 0.000 0.971 196 D CB -0.123 40.706 40.800 0.048 0.000 1.123 196 D HN 0.221 nan 8.370 nan 0.000 0.467 197 R N 0.460 120.850 120.500 -0.183 0.000 2.604 197 R HA 0.700 5.040 4.340 0.000 0.000 0.281 197 R C 0.134 176.279 176.300 -0.259 0.000 1.020 197 R CA -0.818 55.196 56.100 -0.143 0.000 0.899 197 R CB 1.898 32.210 30.300 0.019 0.000 1.205 197 R HN 0.246 nan 8.270 nan 0.000 0.450 198 G N 0.737 109.402 108.800 -0.225 0.000 2.932 198 G HA2 0.497 4.457 3.960 0.000 0.000 0.283 198 G HA3 0.497 4.457 3.960 0.000 0.000 0.283 198 G C -0.726 174.047 174.900 -0.212 0.000 1.336 198 G CA -0.657 44.237 45.100 -0.342 0.000 1.056 198 G HN 0.429 nan 8.290 nan 0.000 0.522 199 Y N -1.207 119.104 120.300 0.019 0.000 2.757 199 Y HA 0.252 4.802 4.550 0.000 0.000 0.344 199 Y C 1.008 177.016 175.900 0.179 0.000 1.263 199 Y CA -0.699 57.471 58.100 0.115 0.000 1.493 199 Y CB 0.266 38.879 38.460 0.255 0.000 1.342 199 Y HN 0.178 nan 8.280 nan 0.000 0.627 200 L N 1.821 123.377 121.223 0.555 0.000 2.607 200 L HA 0.216 4.556 4.340 0.000 0.000 0.228 200 L C 0.228 177.313 176.870 0.359 0.000 1.123 200 L CA 0.516 55.593 54.840 0.395 0.000 0.890 200 L CB -0.171 42.073 42.059 0.309 0.000 1.103 200 L HN 0.798 nan 8.230 nan 0.000 0.468 201 S N -2.226 113.709 115.700 0.391 0.000 2.626 201 S HA 0.359 4.829 4.470 0.000 0.000 0.275 201 S C -2.562 171.897 174.600 -0.235 0.000 1.175 201 S CA -0.951 57.269 58.200 0.033 0.000 0.982 201 S CB 1.771 64.894 63.200 -0.128 0.000 1.093 201 S HN -0.238 nan 8.310 nan 0.000 0.472 202 P HA -0.031 nan 4.420 nan 0.000 0.231 202 P C 0.115 176.988 177.300 -0.712 0.000 1.154 202 P CA 0.883 63.516 63.100 -0.778 0.000 0.762 202 P CB -0.346 31.034 31.700 -0.534 0.000 0.790 203 Y N -2.755 117.290 120.300 -0.425 0.000 2.347 203 Y HA 0.019 4.569 4.550 0.000 0.000 0.294 203 Y C 2.001 177.739 175.900 -0.269 0.000 1.117 203 Y CA 0.520 58.415 58.100 -0.341 0.000 1.184 203 Y CB -1.124 37.120 38.460 -0.358 0.000 1.047 203 Y HN -0.141 nan 8.280 nan 0.000 0.546 204 F N 0.660 120.599 119.950 -0.020 0.000 2.135 204 F HA -0.259 4.268 4.527 0.000 0.000 0.300 204 F C 1.014 176.786 175.800 -0.046 0.000 1.074 204 F CA 0.455 58.444 58.000 -0.019 0.000 1.262 204 F CB -1.418 37.579 39.000 -0.006 0.000 1.013 204 F HN -0.127 nan 8.300 nan 0.000 0.489 205 I N 2.439 123.031 120.570 0.036 0.000 2.978 205 I HA -0.229 3.941 4.170 0.000 0.000 0.293 205 I C 1.068 177.204 176.117 0.033 0.000 1.218 205 I CA 0.591 61.889 61.300 -0.002 0.000 1.393 205 I CB -0.167 37.764 38.000 -0.114 0.000 1.394 205 I HN 0.246 nan 8.210 nan 0.000 0.541 206 N N 5.300 124.032 118.700 0.053 0.000 2.280 206 N HA 0.019 4.759 4.740 0.000 0.000 0.192 206 N C 0.003 175.531 175.510 0.029 0.000 1.109 206 N CA 0.101 53.177 53.050 0.044 0.000 0.855 206 N CB 0.398 38.916 38.487 0.051 0.000 0.974 206 N HN 0.488 nan 8.380 nan 0.000 0.482 207 K N 0.632 121.048 120.400 0.027 0.000 2.701 207 K HA 0.249 4.569 4.320 0.000 0.000 0.212 207 K C -2.183 174.427 176.600 0.017 0.000 1.035 207 K CA -1.782 54.517 56.287 0.021 0.000 1.048 207 K CB 2.138 34.652 32.500 0.023 0.000 1.234 207 K HN -0.038 nan 8.250 nan 0.000 0.540 208 P HA -0.160 nan 4.420 nan 0.000 0.228 208 P C 0.064 177.368 177.300 0.006 0.000 1.151 208 P CA 1.061 64.160 63.100 -0.001 0.000 0.770 208 P CB 0.470 32.165 31.700 -0.008 0.000 0.786 209 E N -0.309 119.897 120.200 0.010 0.000 2.107 209 E HA -0.080 4.270 4.350 0.000 0.000 0.191 209 E C 1.860 178.469 176.600 0.015 0.000 0.982 209 E CA 1.476 57.882 56.400 0.010 0.000 0.809 209 E CB -1.307 28.398 29.700 0.009 0.000 0.756 209 E HN 0.223 nan 8.360 nan 0.000 0.459 210 T N -0.926 113.640 114.554 0.021 0.000 3.014 210 T HA 0.151 4.501 4.350 0.000 0.000 0.263 210 T C 1.465 176.190 174.700 0.042 0.000 1.078 210 T CA 0.692 62.808 62.100 0.027 0.000 1.135 210 T CB -0.034 68.850 68.868 0.028 0.000 0.895 210 T HN 0.416 nan 8.240 nan 0.000 0.480 211 G N 1.438 110.266 108.800 0.047 0.000 2.160 211 G HA2 0.010 3.970 3.960 0.000 0.000 0.251 211 G HA3 0.010 3.970 3.960 0.000 0.000 0.251 211 G C 0.066 175.060 174.900 0.156 0.000 1.008 211 G CA 0.063 45.208 45.100 0.075 0.000 0.724 211 G HN 0.957 nan 8.290 nan 0.000 0.514 212 A N -1.314 121.580 122.820 0.124 0.000 2.469 212 A HA 0.912 5.232 4.320 0.000 0.000 0.299 212 A C -0.287 177.369 177.584 0.120 0.000 1.098 212 A CA -0.175 51.962 52.037 0.165 0.000 0.737 212 A CB 2.024 21.079 19.000 0.093 0.000 1.312 212 A HN 1.282 nan 8.150 nan 0.000 0.414 213 V N 0.900 120.900 119.914 0.142 0.000 2.427 213 V HA 0.540 4.660 4.120 0.000 0.000 0.286 213 V C 0.052 176.179 176.094 0.054 0.000 1.034 213 V CA -0.401 61.959 62.300 0.100 0.000 0.893 213 V CB 1.279 33.176 31.823 0.125 0.000 0.982 213 V HN 0.902 nan 8.190 nan 0.000 0.452 214 E N 4.324 124.548 120.200 0.040 0.000 2.218 214 E HA 0.660 5.010 4.350 0.000 0.000 0.263 214 E C -1.761 174.849 176.600 0.017 0.000 0.879 214 E CA -0.565 55.848 56.400 0.022 0.000 0.762 214 E CB 1.600 31.311 29.700 0.019 0.000 1.166 214 E HN 0.647 nan 8.360 nan 0.000 0.415 215 L N 3.210 124.436 121.223 0.006 0.000 2.386 215 L HA 0.538 4.878 4.340 0.000 0.000 0.271 215 L C -0.592 176.269 176.870 -0.014 0.000 0.993 215 L CA -0.848 53.992 54.840 -0.000 0.000 0.819 215 L CB 2.153 44.211 42.059 -0.001 0.000 1.294 215 L HN 0.472 nan 8.230 nan 0.000 0.414 216 E N 1.145 121.332 120.200 -0.022 0.000 2.199 216 E HA 0.387 4.737 4.350 0.000 0.000 0.265 216 E C -0.496 176.066 176.600 -0.064 0.000 0.882 216 E CA -0.656 55.723 56.400 -0.035 0.000 0.759 216 E CB 1.782 31.468 29.700 -0.024 0.000 1.148 216 E HN 0.616 nan 8.360 nan 0.000 0.412 217 S N 1.177 116.826 115.700 -0.085 0.000 3.682 217 S HA -0.125 4.345 4.470 0.000 0.000 0.354 217 S C -2.262 172.194 174.600 -0.240 0.000 1.034 217 S CA 0.409 58.522 58.200 -0.146 0.000 1.084 217 S CB -1.560 61.557 63.200 -0.138 0.000 0.903 217 S HN 0.475 nan 8.310 nan 0.000 0.470 218 P HA 0.621 nan 4.420 nan 0.000 0.282 218 P C 0.072 177.234 177.300 -0.230 0.000 1.259 218 P CA -0.709 62.286 63.100 -0.176 0.000 0.826 218 P CB 0.471 32.142 31.700 -0.048 0.000 1.064 219 F N 0.313 120.267 119.950 0.007 0.000 2.370 219 F HA 0.425 4.952 4.527 -0.000 0.000 0.319 219 F C 0.861 176.664 175.800 0.005 0.000 1.129 219 F CA -0.022 57.981 58.000 0.006 0.000 1.109 219 F CB 0.348 39.351 39.000 0.006 0.000 1.262 219 F HN 0.040 nan 8.300 nan 0.000 0.534 220 I N 2.752 123.461 120.570 0.232 0.000 2.468 220 I HA 0.252 4.422 4.170 0.000 0.000 0.285 220 I C -1.338 174.834 176.117 0.092 0.000 1.039 220 I CA -0.665 60.709 61.300 0.122 0.000 1.074 220 I CB 1.808 39.858 38.000 0.084 0.000 1.228 220 I HN 0.277 nan 8.210 nan 0.000 0.436 221 L N 7.874 129.136 121.223 0.065 0.000 2.275 221 L HA 0.523 4.863 4.340 0.000 0.000 0.288 221 L C -1.022 175.865 176.870 0.028 0.000 1.046 221 L CA 0.084 54.946 54.840 0.037 0.000 0.805 221 L CB 0.810 42.885 42.059 0.027 0.000 1.193 221 L HN 0.499 nan 8.230 nan 0.000 0.426 222 L N 6.761 127.995 121.223 0.017 0.000 2.371 222 L HA 0.544 4.884 4.340 0.000 0.000 0.262 222 L C 0.083 176.956 176.870 0.005 0.000 1.054 222 L CA -0.495 54.349 54.840 0.007 0.000 0.924 222 L CB 0.881 42.938 42.059 -0.003 0.000 1.295 222 L HN 0.820 nan 8.230 nan 0.000 0.441 223 A N 1.305 124.132 122.820 0.011 0.000 2.316 223 A HA 0.231 4.551 4.320 0.000 0.000 0.311 223 A C -0.129 177.462 177.584 0.012 0.000 1.339 223 A CA -0.401 51.644 52.037 0.012 0.000 0.960 223 A CB 0.110 19.121 19.000 0.019 0.000 1.152 223 A HN 0.623 nan 8.150 nan 0.000 0.547 224 D N 2.903 123.306 120.400 0.006 0.000 2.517 224 D HA 0.418 5.058 4.640 0.000 0.000 0.220 224 D C -0.080 176.227 176.300 0.012 0.000 1.158 224 D CA 0.348 54.351 54.000 0.006 0.000 0.992 224 D CB -0.503 40.295 40.800 -0.003 0.000 1.058 224 D HN 0.668 nan 8.370 nan 0.000 0.516 225 K N 0.058 120.470 120.400 0.020 0.000 3.245 225 K HA 0.113 4.433 4.320 0.000 0.000 0.350 225 K C -1.248 175.369 176.600 0.029 0.000 1.129 225 K CA -1.128 55.173 56.287 0.023 0.000 0.883 225 K CB 0.256 32.766 32.500 0.018 0.000 1.411 225 K HN -0.118 nan 8.250 nan 0.000 0.412 226 K N 0.959 121.378 120.400 0.031 0.000 2.258 226 K HA 0.348 4.668 4.320 0.000 0.000 0.264 226 K C -0.308 176.312 176.600 0.034 0.000 1.007 226 K CA -0.272 56.037 56.287 0.036 0.000 0.941 226 K CB 0.447 32.968 32.500 0.035 0.000 0.966 226 K HN 0.409 nan 8.250 nan 0.000 0.480 227 I N 2.084 122.678 120.570 0.040 0.000 2.437 227 I HA 0.045 4.215 4.170 0.000 0.000 0.279 227 I C 0.256 176.397 176.117 0.040 0.000 1.028 227 I CA -0.045 61.278 61.300 0.039 0.000 1.142 227 I CB 1.646 39.673 38.000 0.045 0.000 1.266 227 I HN 0.620 nan 8.210 nan 0.000 0.461 228 S N 3.047 118.766 115.700 0.032 0.000 2.566 228 S HA 0.179 4.649 4.470 0.000 0.000 0.234 228 S C 0.787 175.402 174.600 0.026 0.000 1.075 228 S CA 0.067 58.285 58.200 0.030 0.000 0.926 228 S CB 0.213 63.428 63.200 0.025 0.000 0.811 228 S HN 0.551 nan 8.310 nan 0.000 0.518 229 N N 2.508 121.222 118.700 0.022 0.000 2.437 229 N HA 0.266 5.006 4.740 0.000 0.000 0.243 229 N C 0.642 176.164 175.510 0.020 0.000 1.041 229 N CA -0.059 53.002 53.050 0.018 0.000 0.940 229 N CB 1.052 39.547 38.487 0.014 0.000 1.133 229 N HN 0.199 nan 8.380 nan 0.000 0.506 230 I N 3.381 123.963 120.570 0.020 0.000 2.236 230 I HA -0.348 3.822 4.170 0.000 0.000 0.249 230 I C 1.741 177.868 176.117 0.015 0.000 1.102 230 I CA 1.445 62.758 61.300 0.021 0.000 1.365 230 I CB 0.219 38.230 38.000 0.019 0.000 1.051 230 I HN 0.473 nan 8.210 nan 0.000 0.420 231 R N 0.842 121.349 120.500 0.011 0.000 2.153 231 R HA -0.250 4.090 4.340 0.000 0.000 0.252 231 R C 1.807 178.111 176.300 0.007 0.000 1.158 231 R CA 2.052 58.157 56.100 0.008 0.000 0.975 231 R CB -0.778 29.526 30.300 0.006 0.000 0.871 231 R HN 0.562 nan 8.270 nan 0.000 0.450 232 E N 0.065 120.270 120.200 0.009 0.000 2.338 232 E HA -0.088 4.262 4.350 0.000 0.000 0.197 232 E C 1.785 178.389 176.600 0.007 0.000 1.007 232 E CA 0.684 57.088 56.400 0.008 0.000 0.849 232 E CB 0.053 29.760 29.700 0.010 0.000 0.774 232 E HN 0.305 nan 8.360 nan 0.000 0.506 233 M N -0.003 119.604 119.600 0.010 0.000 2.429 233 M HA 0.038 4.518 4.480 0.000 0.000 0.265 233 M C 2.246 178.548 176.300 0.004 0.000 1.120 233 M CA 0.743 56.049 55.300 0.011 0.000 1.173 233 M CB -0.794 31.819 32.600 0.021 0.000 1.343 233 M HN 0.116 nan 8.290 nan 0.000 0.464 234 L N 0.886 122.112 121.223 0.005 0.000 2.026 234 L HA -0.289 4.051 4.340 0.000 0.000 0.231 234 L C -0.313 176.553 176.870 -0.005 0.000 1.095 234 L CA 2.209 57.051 54.840 0.002 0.000 0.810 234 L CB -2.710 39.350 42.059 0.002 0.000 0.909 234 L HN 0.165 nan 8.230 nan 0.000 0.444 235 P HA -0.178 nan 4.420 nan 0.000 0.216 235 P C 1.854 179.138 177.300 -0.027 0.000 1.157 235 P CA 1.821 64.911 63.100 -0.017 0.000 0.880 235 P CB -0.081 31.610 31.700 -0.017 0.000 0.791 236 V N 0.248 120.144 119.914 -0.029 0.000 2.283 236 V HA -0.173 3.947 4.120 0.000 0.000 0.243 236 V C 2.827 178.896 176.094 -0.042 0.000 1.039 236 V CA 1.334 63.606 62.300 -0.046 0.000 1.016 236 V CB -1.362 30.437 31.823 -0.040 0.000 0.650 236 V HN -0.011 nan 8.190 nan 0.000 0.449 237 L N 0.006 121.219 121.223 -0.016 0.000 2.270 237 L HA -0.249 4.091 4.340 0.000 0.000 0.217 237 L C 2.501 179.368 176.870 -0.004 0.000 1.107 237 L CA 1.640 56.479 54.840 -0.001 0.000 0.772 237 L CB -0.496 41.571 42.059 0.013 0.000 0.902 237 L HN 0.517 nan 8.230 nan 0.000 0.439 238 E N -0.578 119.614 120.200 -0.014 0.000 2.166 238 E HA -0.027 4.323 4.350 0.000 0.000 0.192 238 E C 2.301 178.888 176.600 -0.022 0.000 0.967 238 E CA 0.740 57.133 56.400 -0.011 0.000 0.840 238 E CB -0.033 29.661 29.700 -0.010 0.000 0.795 238 E HN 0.447 nan 8.360 nan 0.000 0.470 239 A N 1.406 124.199 122.820 -0.044 0.000 1.972 239 A HA -0.118 4.202 4.320 0.000 0.000 0.219 239 A C 2.419 179.955 177.584 -0.080 0.000 1.169 239 A CA 0.999 52.995 52.037 -0.068 0.000 0.635 239 A CB -0.485 18.453 19.000 -0.102 0.000 0.810 239 A HN 0.102 nan 8.150 nan 0.000 0.446 240 V N -0.645 119.225 119.914 -0.072 0.000 2.667 240 V HA -0.095 4.025 4.120 0.000 0.000 0.252 240 V C 2.670 178.791 176.094 0.046 0.000 1.065 240 V CA 1.440 63.727 62.300 -0.022 0.000 1.083 240 V CB -0.985 30.841 31.823 0.006 0.000 0.692 240 V HN 0.552 nan 8.190 nan 0.000 0.468 241 A N -0.795 122.040 122.820 0.025 0.000 2.235 241 A HA 0.004 4.324 4.320 0.000 0.000 0.208 241 A C 2.189 179.791 177.584 0.031 0.000 1.172 241 A CA 0.842 52.898 52.037 0.033 0.000 0.786 241 A CB -0.218 18.796 19.000 0.022 0.000 0.804 241 A HN 0.505 nan 8.150 nan 0.000 0.479 242 K N -1.128 119.288 120.400 0.027 0.000 2.313 242 K HA 0.240 4.560 4.320 0.000 0.000 0.197 242 K C 1.890 178.521 176.600 0.052 0.000 1.061 242 K CA 0.705 57.009 56.287 0.028 0.000 0.980 242 K CB 0.181 32.688 32.500 0.011 0.000 0.888 242 K HN 0.345 nan 8.250 nan 0.000 0.502 243 A N 0.618 123.488 122.820 0.083 0.000 2.169 243 A HA 0.137 4.457 4.320 0.000 0.000 0.212 243 A C 1.412 179.085 177.584 0.147 0.000 1.153 243 A CA 1.007 53.136 52.037 0.154 0.000 0.756 243 A CB -0.443 18.738 19.000 0.302 0.000 0.813 243 A HN 0.396 nan 8.150 nan 0.000 0.471 244 G N -0.743 108.126 108.800 0.115 0.000 2.168 244 G HA2 -0.302 3.658 3.960 0.000 0.000 0.257 244 G HA3 -0.302 3.658 3.960 0.000 0.000 0.257 244 G C 0.209 175.160 174.900 0.085 0.000 0.997 244 G CA 1.000 46.150 45.100 0.083 0.000 0.708 244 G HN 0.607 nan 8.290 nan 0.000 0.520 245 K N 0.879 121.361 120.400 0.138 0.000 2.156 245 K HA 0.541 4.861 4.320 0.000 0.000 0.254 245 K C -1.921 174.753 176.600 0.123 0.000 0.950 245 K CA -2.039 54.297 56.287 0.082 0.000 0.849 245 K CB 1.956 34.428 32.500 -0.046 0.000 1.100 245 K HN 0.028 nan 8.250 nan 0.000 0.434 246 P HA 0.066 nan 4.420 nan 0.000 0.274 246 P C -1.220 176.149 177.300 0.116 0.000 1.260 246 P CA -0.456 62.688 63.100 0.074 0.000 0.793 246 P CB 0.509 32.230 31.700 0.034 0.000 1.048 247 L N 0.393 121.675 121.223 0.098 0.000 2.464 247 L HA 0.512 4.852 4.340 0.000 0.000 0.266 247 L C -1.721 175.178 176.870 0.050 0.000 0.965 247 L CA -1.074 53.835 54.840 0.115 0.000 0.833 247 L CB 1.612 43.749 42.059 0.130 0.000 1.296 247 L HN 0.134 nan 8.230 nan 0.000 0.405 248 L N 6.001 127.253 121.223 0.049 0.000 2.282 248 L HA 0.622 4.962 4.340 0.000 0.000 0.288 248 L C -1.081 175.801 176.870 0.020 0.000 1.033 248 L CA -0.197 54.648 54.840 0.008 0.000 0.807 248 L CB 1.096 43.167 42.059 0.020 0.000 1.209 248 L HN 0.470 nan 8.230 nan 0.000 0.423 249 I N 7.315 127.878 120.570 -0.010 0.000 2.306 249 I HA 0.266 4.436 4.170 0.000 0.000 0.288 249 I C -0.163 175.967 176.117 0.022 0.000 1.036 249 I CA -0.203 61.104 61.300 0.012 0.000 1.221 249 I CB 0.767 38.775 38.000 0.012 0.000 1.385 249 I HN 0.554 nan 8.210 nan 0.000 0.472 250 I N 5.964 126.559 120.570 0.042 0.000 2.310 250 I HA 0.442 4.612 4.170 0.000 0.000 0.287 250 I C 0.613 176.756 176.117 0.042 0.000 1.073 250 I CA -0.092 61.245 61.300 0.060 0.000 1.216 250 I CB 0.932 38.974 38.000 0.071 0.000 1.415 250 I HN 0.615 nan 8.210 nan 0.000 0.480 251 A N 4.383 127.233 122.820 0.049 0.000 2.288 251 A HA 0.392 4.712 4.320 0.000 0.000 0.328 251 A C 1.177 178.792 177.584 0.051 0.000 1.123 251 A CA -0.537 51.526 52.037 0.044 0.000 0.861 251 A CB 0.945 19.973 19.000 0.046 0.000 1.272 251 A HN 0.748 nan 8.150 nan 0.000 0.490 252 E N -0.596 119.630 120.200 0.044 0.000 2.160 252 E HA -0.165 4.185 4.350 0.000 0.000 0.195 252 E C -0.407 176.230 176.600 0.061 0.000 0.991 252 E CA 1.658 58.088 56.400 0.051 0.000 0.810 252 E CB 0.125 29.851 29.700 0.044 0.000 0.742 252 E HN 0.635 nan 8.360 nan 0.000 0.466 253 D N -2.097 118.338 120.400 0.059 0.000 2.720 253 D HA 0.124 4.764 4.640 0.000 0.000 0.239 253 D C -1.918 174.423 176.300 0.068 0.000 1.218 253 D CA -0.517 53.523 54.000 0.066 0.000 0.748 253 D CB 1.976 42.812 40.800 0.060 0.000 1.387 253 D HN -0.130 nan 8.370 nan 0.000 0.438 254 V N 2.683 122.648 119.914 0.084 0.000 2.305 254 V HA 0.413 4.533 4.120 0.000 0.000 0.275 254 V C 0.493 176.641 176.094 0.091 0.000 1.020 254 V CA -0.673 61.682 62.300 0.092 0.000 0.811 254 V CB 0.939 32.834 31.823 0.120 0.000 1.031 254 V HN 0.420 nan 8.190 nan 0.000 0.439 255 E N 2.457 122.699 120.200 0.069 0.000 2.622 255 E HA 0.375 4.725 4.350 0.000 0.000 0.255 255 E C 1.566 178.199 176.600 0.055 0.000 1.313 255 E CA 0.133 56.569 56.400 0.059 0.000 1.011 255 E CB 0.589 30.316 29.700 0.045 0.000 1.173 255 E HN 0.599 nan 8.360 nan 0.000 0.601 256 G N 0.803 109.629 108.800 0.044 0.000 2.839 256 G HA2 -0.402 3.558 3.960 0.000 0.000 0.221 256 G HA3 -0.402 3.558 3.960 0.000 0.000 0.221 256 G C 1.285 176.203 174.900 0.031 0.000 1.271 256 G CA 1.292 46.413 45.100 0.035 0.000 0.789 256 G HN 0.555 nan 8.290 nan 0.000 0.659 257 E N 0.816 121.031 120.200 0.026 0.000 2.026 257 E HA -0.213 4.137 4.350 0.000 0.000 0.206 257 E C 3.029 179.645 176.600 0.027 0.000 1.028 257 E CA 1.668 58.081 56.400 0.021 0.000 0.845 257 E CB -0.765 28.946 29.700 0.019 0.000 0.772 257 E HN 0.305 nan 8.360 nan 0.000 0.462 258 A N 1.254 124.096 122.820 0.036 0.000 1.865 258 A HA -0.217 4.103 4.320 0.000 0.000 0.217 258 A C 2.341 179.962 177.584 0.062 0.000 1.191 258 A CA 1.850 53.914 52.037 0.046 0.000 0.623 258 A CB -1.009 18.022 19.000 0.052 0.000 0.826 258 A HN 0.346 nan 8.150 nan 0.000 0.444 259 L N -0.137 121.132 121.223 0.077 0.000 1.951 259 L HA -0.238 4.102 4.340 0.000 0.000 0.222 259 L C 2.795 179.695 176.870 0.049 0.000 1.078 259 L CA 2.763 57.665 54.840 0.102 0.000 0.778 259 L CB -1.100 41.023 42.059 0.107 0.000 0.893 259 L HN 0.431 nan 8.230 nan 0.000 0.436 260 A N -1.879 120.952 122.820 0.019 0.000 1.940 260 A HA -0.337 3.983 4.320 0.000 0.000 0.221 260 A C 2.224 179.790 177.584 -0.030 0.000 1.190 260 A CA 2.965 54.989 52.037 -0.021 0.000 0.647 260 A CB -1.472 17.519 19.000 -0.016 0.000 0.821 260 A HN 0.648 nan 8.150 nan 0.000 0.457 261 T N 0.185 114.738 114.554 -0.001 0.000 2.639 261 T HA -0.084 4.266 4.350 0.000 0.000 0.261 261 T C 1.856 176.564 174.700 0.013 0.000 1.053 261 T CA 1.316 63.417 62.100 0.001 0.000 1.158 261 T CB -0.547 68.330 68.868 0.015 0.000 0.863 261 T HN 0.351 nan 8.240 nan 0.000 0.413 262 L N 0.938 122.194 121.223 0.055 0.000 2.030 262 L HA -0.238 4.102 4.340 0.000 0.000 0.222 262 L C 2.689 179.604 176.870 0.074 0.000 1.082 262 L CA 1.426 56.330 54.840 0.107 0.000 0.785 262 L CB -1.014 41.170 42.059 0.207 0.000 0.895 262 L HN 0.158 nan 8.230 nan 0.000 0.439 263 V N -0.657 119.248 119.914 -0.015 0.000 2.220 263 V HA -0.361 3.759 4.120 0.000 0.000 0.250 263 V C 2.376 178.389 176.094 -0.134 0.000 1.056 263 V CA 2.232 64.430 62.300 -0.169 0.000 1.016 263 V CB -0.779 30.892 31.823 -0.254 0.000 0.639 263 V HN 0.277 nan 8.190 nan 0.000 0.446 264 V N 0.634 120.479 119.914 -0.115 0.000 2.317 264 V HA -0.347 3.773 4.120 0.000 0.000 0.251 264 V C 2.191 178.252 176.094 -0.056 0.000 1.065 264 V CA 2.554 64.794 62.300 -0.099 0.000 1.049 264 V CB -1.054 30.726 31.823 -0.072 0.000 0.651 264 V HN 0.620 nan 8.190 nan 0.000 0.450 265 N N 0.395 119.083 118.700 -0.020 0.000 2.109 265 N HA -0.148 4.592 4.740 0.000 0.000 0.188 265 N C 2.055 177.577 175.510 0.020 0.000 1.034 265 N CA 2.089 55.143 53.050 0.006 0.000 0.846 265 N CB -0.348 38.155 38.487 0.028 0.000 1.010 265 N HN 0.696 nan 8.380 nan 0.000 0.425 266 T N 0.066 114.648 114.554 0.045 0.000 2.759 266 T HA -0.173 4.177 4.350 0.000 0.000 0.269 266 T C 1.990 176.711 174.700 0.034 0.000 1.042 266 T CA 0.981 63.125 62.100 0.073 0.000 1.140 266 T CB -0.280 68.685 68.868 0.162 0.000 0.864 266 T HN 0.004 nan 8.240 nan 0.000 0.455 267 M N 1.453 121.045 119.600 -0.014 0.000 2.065 267 M HA 0.042 4.522 4.480 0.000 0.000 0.259 267 M C 2.131 178.417 176.300 -0.024 0.000 1.069 267 M CA 1.589 56.864 55.300 -0.041 0.000 1.110 267 M CB -0.384 32.148 32.600 -0.112 0.000 1.328 267 M HN 0.059 nan 8.290 nan 0.000 0.405 268 R N -0.078 120.408 120.500 -0.023 0.000 2.391 268 R HA 0.164 4.504 4.340 0.000 0.000 0.225 268 R C 0.781 177.081 176.300 -0.001 0.000 1.079 268 R CA 0.531 56.621 56.100 -0.016 0.000 1.147 268 R CB -0.949 29.339 30.300 -0.019 0.000 1.103 268 R HN 0.725 nan 8.270 nan 0.000 0.499 269 G N 1.137 109.942 108.800 0.009 0.000 2.258 269 G HA2 -0.300 3.660 3.960 0.000 0.000 0.274 269 G HA3 -0.300 3.660 3.960 0.000 0.000 0.274 269 G C 0.707 175.619 174.900 0.021 0.000 1.021 269 G CA 0.457 45.568 45.100 0.018 0.000 0.798 269 G HN 0.375 nan 8.290 nan 0.000 0.507 270 I N -1.182 119.401 120.570 0.022 0.000 2.094 270 I HA 0.039 4.209 4.170 0.000 0.000 0.234 270 I C 1.122 177.259 176.117 0.033 0.000 1.063 270 I CA 1.436 62.750 61.300 0.023 0.000 1.328 270 I CB -0.170 37.841 38.000 0.019 0.000 1.058 270 I HN 0.095 nan 8.210 nan 0.000 0.400 271 V N 0.536 120.476 119.914 0.043 0.000 2.686 271 V HA 0.264 4.384 4.120 0.000 0.000 0.306 271 V C -0.735 175.400 176.094 0.069 0.000 1.065 271 V CA -1.080 61.253 62.300 0.055 0.000 0.894 271 V CB 1.803 33.660 31.823 0.056 0.000 1.004 271 V HN 0.084 nan 8.190 nan 0.000 0.424 272 K N 2.812 123.254 120.400 0.070 0.000 2.349 272 K HA 0.620 4.940 4.320 0.000 0.000 0.288 272 K C -0.798 175.854 176.600 0.087 0.000 1.058 272 K CA 0.135 56.470 56.287 0.081 0.000 0.953 272 K CB 0.997 33.536 32.500 0.066 0.000 0.997 272 K HN 0.500 nan 8.250 nan 0.000 0.477 273 V N 1.700 121.682 119.914 0.115 0.000 2.808 273 V HA 0.758 4.878 4.120 0.000 0.000 0.308 273 V C -0.912 175.192 176.094 0.017 0.000 1.099 273 V CA -1.128 61.221 62.300 0.083 0.000 0.920 273 V CB 1.971 33.860 31.823 0.111 0.000 1.014 273 V HN 0.796 nan 8.190 nan 0.000 0.425 274 A N 2.832 125.514 122.820 -0.230 0.000 2.413 274 A HA 1.062 5.382 4.320 0.000 0.000 0.307 274 A C -0.490 176.715 177.584 -0.633 0.000 1.087 274 A CA -0.250 51.309 52.037 -0.796 0.000 0.750 274 A CB 2.034 20.743 19.000 -0.485 0.000 1.296 274 A HN 1.813 nan 8.150 nan 0.000 0.423 275 A N 0.426 122.706 122.820 -0.901 0.000 2.449 275 A HA 0.809 5.129 4.320 0.000 0.000 0.302 275 A C -0.754 176.750 177.584 -0.133 0.000 1.048 275 A CA -0.120 51.742 52.037 -0.291 0.000 0.708 275 A CB 1.407 20.373 19.000 -0.055 0.000 1.274 275 A HN 2.261 nan 8.150 nan 0.000 0.410 276 V N -0.760 119.145 119.914 -0.014 0.000 2.932 276 V HA 0.575 4.695 4.120 0.000 0.000 0.307 276 V C -0.433 175.719 176.094 0.097 0.000 1.147 276 V CA -1.294 61.032 62.300 0.044 0.000 0.951 276 V CB 1.308 33.145 31.823 0.023 0.000 1.031 276 V HN 0.906 nan 8.190 nan 0.000 0.426 277 K N 1.811 122.273 120.400 0.104 0.000 2.397 277 K HA 0.559 4.879 4.320 0.000 0.000 0.265 277 K C 0.523 177.226 176.600 0.171 0.000 0.982 277 K CA 0.511 56.868 56.287 0.117 0.000 0.931 277 K CB 0.730 33.289 32.500 0.099 0.000 0.943 277 K HN 1.134 nan 8.250 nan 0.000 0.501 278 A N 3.491 126.387 122.820 0.126 0.000 2.371 278 A HA 0.284 4.604 4.320 0.000 0.000 0.257 278 A C -2.154 175.498 177.584 0.114 0.000 1.089 278 A CA -1.356 50.736 52.037 0.090 0.000 0.794 278 A CB -0.148 18.871 19.000 0.031 0.000 1.029 278 A HN 0.455 nan 8.150 nan 0.000 0.488 279 P HA 0.378 nan 4.420 nan 0.000 0.276 279 P C 0.770 178.117 177.300 0.078 0.000 1.235 279 P CA 1.513 64.677 63.100 0.107 0.000 0.772 279 P CB 0.679 32.348 31.700 -0.052 0.000 0.871 280 G N 3.120 112.005 108.800 0.142 0.000 2.525 280 G HA2 -0.073 3.887 3.960 0.000 0.000 0.248 280 G HA3 -0.073 3.887 3.960 0.000 0.000 0.248 280 G C -0.680 174.400 174.900 0.300 0.000 1.238 280 G CA 0.206 45.422 45.100 0.194 0.000 0.926 280 G HN 0.759 nan 8.290 nan 0.000 0.574 281 F N -2.995 116.971 119.950 0.027 0.000 3.052 281 F HA 0.732 5.259 4.527 -0.000 0.000 0.323 281 F C 1.068 176.881 175.800 0.021 0.000 1.178 281 F CA 0.757 58.772 58.000 0.024 0.000 0.892 281 F CB 0.617 39.635 39.000 0.029 0.000 1.416 281 F HN 2.548 nan 8.300 nan 0.000 0.488 282 G N 1.068 109.730 108.800 -0.230 0.000 2.556 282 G HA2 -0.277 3.683 3.960 0.000 0.000 0.283 282 G HA3 -0.277 3.683 3.960 0.000 0.000 0.283 282 G C 0.327 175.114 174.900 -0.188 0.000 1.177 282 G CA 0.624 45.528 45.100 -0.327 0.000 0.978 282 G HN 0.938 nan 8.290 nan 0.000 0.554 283 D N 1.080 121.358 120.400 -0.203 0.000 2.110 283 D HA -0.062 4.578 4.640 0.000 0.000 0.202 283 D C 2.616 178.844 176.300 -0.121 0.000 0.975 283 D CA 1.534 55.459 54.000 -0.125 0.000 0.839 283 D CB -0.128 40.609 40.800 -0.104 0.000 0.996 283 D HN 0.609 nan 8.370 nan 0.000 0.464 284 R N 1.513 121.921 120.500 -0.152 0.000 2.139 284 R HA -0.127 4.213 4.340 0.000 0.000 0.243 284 R C 2.280 178.519 176.300 -0.101 0.000 1.145 284 R CA 1.001 57.027 56.100 -0.124 0.000 0.976 284 R CB -0.592 29.628 30.300 -0.134 0.000 0.866 284 R HN 0.083 nan 8.270 nan 0.000 0.449 285 R N 1.867 122.310 120.500 -0.095 0.000 2.115 285 R HA -0.226 4.114 4.340 0.000 0.000 0.239 285 R C 1.680 177.943 176.300 -0.061 0.000 1.133 285 R CA 2.466 58.532 56.100 -0.057 0.000 0.935 285 R CB -0.163 30.130 30.300 -0.013 0.000 0.853 285 R HN 0.347 nan 8.270 nan 0.000 0.433 286 K N -0.205 120.162 120.400 -0.054 0.000 2.057 286 K HA -0.100 4.220 4.320 0.000 0.000 0.207 286 K C 2.177 178.743 176.600 -0.057 0.000 1.049 286 K CA 1.529 57.787 56.287 -0.047 0.000 0.931 286 K CB -0.203 32.274 32.500 -0.038 0.000 0.714 286 K HN 0.289 nan 8.250 nan 0.000 0.440 287 A N 1.218 123.999 122.820 -0.065 0.000 1.930 287 A HA -0.088 4.232 4.320 0.000 0.000 0.217 287 A C 2.153 179.690 177.584 -0.080 0.000 1.175 287 A CA 1.239 53.236 52.037 -0.067 0.000 0.627 287 A CB -0.393 18.567 19.000 -0.067 0.000 0.815 287 A HN 0.174 nan 8.150 nan 0.000 0.443 288 M N -1.050 118.493 119.600 -0.095 0.000 2.175 288 M HA -0.063 4.417 4.480 0.000 0.000 0.264 288 M C 2.220 178.427 176.300 -0.154 0.000 1.063 288 M CA 1.261 56.487 55.300 -0.123 0.000 1.119 288 M CB -0.315 32.206 32.600 -0.132 0.000 1.377 288 M HN 0.497 nan 8.290 nan 0.000 0.415 289 L N 0.131 121.273 121.223 -0.135 0.000 2.046 289 L HA -0.278 4.062 4.340 0.000 0.000 0.208 289 L C 2.590 179.402 176.870 -0.097 0.000 1.077 289 L CA 1.509 56.271 54.840 -0.129 0.000 0.747 289 L CB -0.295 41.713 42.059 -0.085 0.000 0.896 289 L HN 0.304 nan 8.230 nan 0.000 0.432 290 Q N 0.184 119.938 119.800 -0.076 0.000 2.096 290 Q HA -0.254 4.086 4.340 0.000 0.000 0.204 290 Q C 1.698 177.662 176.000 -0.060 0.000 0.982 290 Q CA 2.237 58.006 55.803 -0.058 0.000 0.850 290 Q CB -0.353 28.355 28.738 -0.049 0.000 0.901 290 Q HN 0.477 nan 8.270 nan 0.000 0.422 291 D N -0.028 120.327 120.400 -0.074 0.000 2.133 291 D HA -0.179 4.461 4.640 0.000 0.000 0.195 291 D C 1.943 178.200 176.300 -0.071 0.000 0.997 291 D CA 1.571 55.529 54.000 -0.070 0.000 0.840 291 D CB -0.266 40.484 40.800 -0.082 0.000 0.947 291 D HN 0.409 nan 8.370 nan 0.000 0.452 292 I N 1.248 121.757 120.570 -0.101 0.000 2.286 292 I HA -0.257 3.913 4.170 0.000 0.000 0.248 292 I C 2.534 178.621 176.117 -0.049 0.000 1.115 292 I CA 0.953 62.196 61.300 -0.096 0.000 1.392 292 I CB -0.211 37.692 38.000 -0.161 0.000 1.065 292 I HN -0.074 nan 8.210 nan 0.000 0.418 293 A N 0.673 123.467 122.820 -0.044 0.000 1.877 293 A HA -0.212 4.108 4.320 0.000 0.000 0.216 293 A C 2.415 179.990 177.584 -0.014 0.000 1.186 293 A CA 2.536 54.560 52.037 -0.021 0.000 0.620 293 A CB -1.190 17.797 19.000 -0.022 0.000 0.822 293 A HN 0.396 nan 8.150 nan 0.000 0.443 294 T N 0.614 115.155 114.554 -0.022 0.000 2.652 294 T HA -0.157 4.193 4.350 0.000 0.000 0.267 294 T C 1.833 176.526 174.700 -0.011 0.000 1.039 294 T CA 1.373 63.463 62.100 -0.016 0.000 1.153 294 T CB -0.423 68.432 68.868 -0.022 0.000 0.863 294 T HN 0.243 nan 8.240 nan 0.000 0.428 295 L N 1.903 123.117 121.223 -0.015 0.000 2.127 295 L HA -0.090 4.250 4.340 0.000 0.000 0.211 295 L C 2.308 179.178 176.870 0.000 0.000 1.089 295 L CA 2.366 57.201 54.840 -0.008 0.000 0.757 295 L CB -1.425 40.628 42.059 -0.009 0.000 0.899 295 L HN 0.528 nan 8.230 nan 0.000 0.434 296 T N -4.609 109.947 114.554 0.003 0.000 3.054 296 T HA 0.283 4.633 4.350 0.000 0.000 0.255 296 T C 1.228 175.942 174.700 0.023 0.000 1.035 296 T CA 0.373 62.481 62.100 0.014 0.000 0.941 296 T CB 0.093 68.974 68.868 0.021 0.000 1.026 296 T HN 0.479 nan 8.240 nan 0.000 0.533 297 G N 0.654 109.464 108.800 0.016 0.000 2.246 297 G HA2 0.055 4.015 3.960 0.000 0.000 0.273 297 G HA3 0.055 4.015 3.960 0.000 0.000 0.273 297 G C 0.305 175.223 174.900 0.030 0.000 1.055 297 G CA -0.144 44.968 45.100 0.020 0.000 0.851 297 G HN 1.042 nan 8.290 nan 0.000 0.500 298 G N -1.706 107.109 108.800 0.025 0.000 2.735 298 G HA2 0.791 4.751 3.960 0.000 0.000 0.301 298 G HA3 0.791 4.751 3.960 0.000 0.000 0.301 298 G C -0.437 174.469 174.900 0.010 0.000 1.279 298 G CA 0.102 45.218 45.100 0.027 0.000 1.019 298 G HN 0.602 nan 8.290 nan 0.000 0.497 299 T N 0.414 114.972 114.554 0.006 0.000 2.797 299 T HA 0.426 4.776 4.350 0.000 0.000 0.279 299 T C 0.186 174.883 174.700 -0.005 0.000 0.991 299 T CA -0.281 61.818 62.100 -0.002 0.000 0.979 299 T CB 1.646 70.512 68.868 -0.004 0.000 0.943 299 T HN 0.356 nan 8.240 nan 0.000 0.444 300 V N 4.603 124.511 119.914 -0.010 0.000 2.585 300 V HA 0.171 4.291 4.120 0.000 0.000 0.296 300 V C 0.308 176.396 176.094 -0.009 0.000 1.035 300 V CA 0.054 62.347 62.300 -0.013 0.000 1.084 300 V CB 0.006 31.818 31.823 -0.019 0.000 0.953 300 V HN 0.758 nan 8.190 nan 0.000 0.483 301 I N 5.362 125.928 120.570 -0.007 0.000 2.412 301 I HA 0.302 4.472 4.170 0.000 0.000 0.279 301 I C 0.341 176.457 176.117 -0.003 0.000 1.063 301 I CA 0.127 61.424 61.300 -0.005 0.000 1.193 301 I CB 0.900 38.898 38.000 -0.004 0.000 1.370 301 I HN 0.739 nan 8.210 nan 0.000 0.479 302 S N 2.498 118.196 115.700 -0.004 0.000 2.621 302 S HA 0.461 4.931 4.470 0.000 0.000 0.302 302 S C 0.478 175.077 174.600 -0.001 0.000 1.093 302 S CA -0.816 57.383 58.200 -0.002 0.000 1.017 302 S CB 1.968 65.165 63.200 -0.005 0.000 1.077 302 S HN 0.553 nan 8.310 nan 0.000 0.517 303 E N 0.454 120.655 120.200 0.001 0.000 2.442 303 E HA -0.016 4.334 4.350 0.000 0.000 0.195 303 E C 0.987 177.588 176.600 0.001 0.000 1.030 303 E CA 0.401 56.802 56.400 0.002 0.000 0.869 303 E CB -0.061 29.642 29.700 0.005 0.000 0.857 303 E HN 0.782 nan 8.360 nan 0.000 0.505 304 E N 0.593 120.793 120.200 -0.000 0.000 2.418 304 E HA -0.066 4.284 4.350 0.000 0.000 0.197 304 E C 1.160 177.758 176.600 -0.003 0.000 1.026 304 E CA 0.600 56.999 56.400 -0.002 0.000 0.862 304 E CB 0.069 29.767 29.700 -0.003 0.000 0.799 304 E HN 0.360 nan 8.360 nan 0.000 0.518 305 I N -0.220 120.348 120.570 -0.004 0.000 3.974 305 I HA 0.208 4.378 4.170 0.000 0.000 0.334 305 I C 0.804 176.919 176.117 -0.004 0.000 1.437 305 I CA -0.226 61.071 61.300 -0.005 0.000 1.113 305 I CB 0.547 38.543 38.000 -0.006 0.000 1.063 305 I HN 0.036 nan 8.210 nan 0.000 0.400 306 G N 2.292 111.091 108.800 -0.003 0.000 2.314 306 G HA2 -0.265 3.695 3.960 0.000 0.000 0.292 306 G HA3 -0.265 3.695 3.960 0.000 0.000 0.292 306 G C -0.085 174.813 174.900 -0.003 0.000 1.059 306 G CA 0.095 45.194 45.100 -0.002 0.000 0.982 306 G HN 0.344 nan 8.290 nan 0.000 0.505 307 M N -0.489 119.109 119.600 -0.003 0.000 2.508 307 M HA 0.621 5.101 4.480 0.000 0.000 0.327 307 M C 0.068 176.367 176.300 -0.002 0.000 1.160 307 M CA -0.592 54.706 55.300 -0.004 0.000 0.980 307 M CB 1.942 34.539 32.600 -0.005 0.000 1.693 307 M HN 0.281 nan 8.290 nan 0.000 0.452 308 E N 1.243 121.441 120.200 -0.003 0.000 2.277 308 E HA 0.371 4.721 4.350 0.000 0.000 0.266 308 E C 0.156 176.754 176.600 -0.003 0.000 0.901 308 E CA -0.725 55.674 56.400 -0.001 0.000 0.782 308 E CB 2.138 31.838 29.700 -0.001 0.000 1.228 308 E HN 0.610 nan 8.360 nan 0.000 0.424 309 L N 0.952 122.175 121.223 -0.001 0.000 2.187 309 L HA -0.207 4.133 4.340 0.000 0.000 0.213 309 L C 1.639 178.505 176.870 -0.008 0.000 1.100 309 L CA 1.212 56.051 54.840 -0.003 0.000 0.765 309 L CB -0.395 41.666 42.059 0.002 0.000 0.904 309 L HN 0.590 nan 8.230 nan 0.000 0.437 310 E N 0.591 120.787 120.200 -0.006 0.000 2.077 310 E HA -0.138 4.212 4.350 0.000 0.000 0.193 310 E C 0.985 177.577 176.600 -0.013 0.000 0.989 310 E CA 1.069 57.464 56.400 -0.009 0.000 0.800 310 E CB -0.013 29.684 29.700 -0.006 0.000 0.746 310 E HN 0.302 nan 8.360 nan 0.000 0.452 311 K N 0.478 120.870 120.400 -0.012 0.000 3.001 311 K HA 0.402 4.722 4.320 0.000 0.000 0.257 311 K C -0.948 175.640 176.600 -0.019 0.000 1.290 311 K CA -0.219 56.059 56.287 -0.015 0.000 1.252 311 K CB 0.747 33.240 32.500 -0.011 0.000 1.656 311 K HN -0.021 nan 8.250 nan 0.000 0.351 312 A N 1.313 124.117 122.820 -0.025 0.000 2.375 312 A HA 0.323 4.643 4.320 0.000 0.000 0.291 312 A C 0.114 177.668 177.584 -0.050 0.000 1.160 312 A CA -0.741 51.277 52.037 -0.033 0.000 0.747 312 A CB 0.584 19.566 19.000 -0.029 0.000 1.170 312 A HN 0.331 nan 8.150 nan 0.000 0.458 313 T N 0.136 114.657 114.554 -0.055 0.000 2.862 313 T HA 0.480 4.830 4.350 0.000 0.000 0.276 313 T C 1.310 175.939 174.700 -0.117 0.000 0.974 313 T CA -0.640 61.413 62.100 -0.078 0.000 0.966 313 T CB 0.393 69.225 68.868 -0.060 0.000 1.072 313 T HN 0.363 nan 8.240 nan 0.000 0.538 314 L N -0.023 121.093 121.223 -0.177 0.000 2.197 314 L HA -0.131 4.209 4.340 0.000 0.000 0.215 314 L C 2.912 179.666 176.870 -0.193 0.000 1.095 314 L CA 1.678 56.331 54.840 -0.312 0.000 0.764 314 L CB -0.560 41.258 42.059 -0.402 0.000 0.897 314 L HN 0.856 nan 8.230 nan 0.000 0.436 315 E N -0.141 120.004 120.200 -0.091 0.000 2.347 315 E HA -0.180 4.170 4.350 0.000 0.000 0.196 315 E C 1.131 177.724 176.600 -0.013 0.000 1.008 315 E CA 0.703 57.086 56.400 -0.027 0.000 0.852 315 E CB 0.186 29.876 29.700 -0.016 0.000 0.783 315 E HN 0.544 nan 8.360 nan 0.000 0.505 316 D N 0.167 120.548 120.400 -0.031 0.000 2.347 316 D HA -0.036 4.604 4.640 0.000 0.000 0.213 316 D C 0.106 176.406 176.300 -0.001 0.000 0.985 316 D CA 0.268 54.259 54.000 -0.016 0.000 0.879 316 D CB 0.338 41.124 40.800 -0.023 0.000 0.919 316 D HN 0.132 nan 8.370 nan 0.000 0.526 317 L N 1.059 122.280 121.223 -0.003 0.000 2.326 317 L HA 0.319 4.659 4.340 0.000 0.000 0.278 317 L C 1.363 178.307 176.870 0.122 0.000 1.092 317 L CA -0.209 54.659 54.840 0.048 0.000 0.810 317 L CB 1.323 43.392 42.059 0.016 0.000 1.153 317 L HN -0.154 nan 8.230 nan 0.000 0.439 318 G N 1.712 110.579 108.800 0.111 0.000 2.683 318 G HA2 0.373 4.333 3.960 0.000 0.000 0.260 318 G HA3 0.373 4.333 3.960 0.000 0.000 0.260 318 G C -0.788 174.205 174.900 0.154 0.000 1.238 318 G CA -0.169 44.993 45.100 0.104 0.000 0.934 318 G HN 0.597 nan 8.290 nan 0.000 0.534 319 Q N -1.711 118.135 119.800 0.077 0.000 2.391 319 Q HA 0.592 4.932 4.340 0.000 0.000 0.279 319 Q C -0.810 175.176 176.000 -0.023 0.000 1.028 319 Q CA -0.678 55.127 55.803 0.002 0.000 0.836 319 Q CB 2.084 30.796 28.738 -0.043 0.000 1.414 319 Q HN 0.961 nan 8.270 nan 0.000 0.397 320 A N 1.903 124.690 122.820 -0.056 0.000 2.524 320 A HA 0.546 4.866 4.320 0.000 0.000 0.286 320 A C -0.603 176.943 177.584 -0.064 0.000 1.203 320 A CA -0.542 51.470 52.037 -0.040 0.000 0.736 320 A CB 1.478 20.470 19.000 -0.014 0.000 1.322 320 A HN 0.774 nan 8.150 nan 0.000 0.424 321 K N -0.794 119.580 120.400 -0.044 0.000 2.284 321 K HA 0.198 4.518 4.320 0.000 0.000 0.198 321 K C 0.298 176.875 176.600 -0.039 0.000 1.048 321 K CA 0.772 57.031 56.287 -0.046 0.000 0.987 321 K CB 0.328 32.809 32.500 -0.032 0.000 0.800 321 K HN 0.509 nan 8.250 nan 0.000 0.486 322 R N 0.004 120.488 120.500 -0.026 0.000 2.629 322 R HA 0.243 4.583 4.340 0.000 0.000 0.266 322 R C -1.788 174.507 176.300 -0.008 0.000 1.051 322 R CA -0.572 55.517 56.100 -0.018 0.000 0.895 322 R CB 2.316 32.609 30.300 -0.012 0.000 1.246 322 R HN -0.076 nan 8.270 nan 0.000 0.459 323 V N -0.699 119.211 119.914 -0.006 0.000 2.925 323 V HA 0.864 4.984 4.120 0.000 0.000 0.311 323 V C -1.178 174.912 176.094 -0.007 0.000 1.104 323 V CA -0.711 61.588 62.300 -0.001 0.000 0.954 323 V CB 2.269 34.096 31.823 0.006 0.000 1.022 323 V HN 0.416 nan 8.190 nan 0.000 0.427 324 V N 4.554 124.457 119.914 -0.017 0.000 2.760 324 V HA 0.672 4.792 4.120 0.000 0.000 0.309 324 V C -0.490 175.575 176.094 -0.048 0.000 1.077 324 V CA -0.333 61.955 62.300 -0.019 0.000 0.910 324 V CB 1.821 33.633 31.823 -0.018 0.000 1.008 324 V HN 1.170 nan 8.190 nan 0.000 0.424 325 I N 1.014 121.570 120.570 -0.022 0.000 2.534 325 I HA 0.673 4.843 4.170 0.000 0.000 0.288 325 I C -0.676 175.433 176.117 -0.013 0.000 1.077 325 I CA -0.429 60.837 61.300 -0.056 0.000 1.051 325 I CB 2.098 40.065 38.000 -0.054 0.000 1.234 325 I HN 0.472 nan 8.210 nan 0.000 0.425 326 N N 4.963 123.589 118.700 -0.122 0.000 2.566 326 N HA 0.206 4.946 4.740 0.000 0.000 0.299 326 N C 0.703 175.948 175.510 -0.442 0.000 1.277 326 N CA -0.660 52.313 53.050 -0.130 0.000 0.965 326 N CB 0.880 39.299 38.487 -0.114 0.000 1.142 326 N HN 0.702 nan 8.380 nan 0.000 0.596 327 K N 0.187 120.350 120.400 -0.395 0.000 2.189 327 K HA -0.219 4.101 4.320 0.000 0.000 0.207 327 K C -0.492 175.787 176.600 -0.535 0.000 1.046 327 K CA 2.341 58.282 56.287 -0.576 0.000 0.928 327 K CB -0.051 32.345 32.500 -0.172 0.000 0.720 327 K HN 0.640 nan 8.250 nan 0.000 0.458 328 D N -2.126 118.066 120.400 -0.345 0.000 2.848 328 D HA 0.085 4.725 4.640 0.000 0.000 0.303 328 D C -1.020 175.146 176.300 -0.224 0.000 1.665 328 D CA -0.418 53.433 54.000 -0.249 0.000 0.807 328 D CB 0.806 41.513 40.800 -0.155 0.000 1.288 328 D HN -0.149 nan 8.370 nan 0.000 0.441 329 T N 0.449 114.846 114.554 -0.261 0.000 3.078 329 T HA 0.404 4.754 4.350 0.000 0.000 0.328 329 T C -0.779 173.722 174.700 -0.331 0.000 0.987 329 T CA -0.349 61.590 62.100 -0.268 0.000 1.049 329 T CB 1.543 70.306 68.868 -0.175 0.000 1.011 329 T HN -0.076 nan 8.240 nan 0.000 0.463 330 T N 2.944 117.157 114.554 -0.568 0.000 2.837 330 T HA 0.671 5.021 4.350 0.000 0.000 0.285 330 T C 0.165 174.539 174.700 -0.544 0.000 0.984 330 T CA -0.463 61.267 62.100 -0.617 0.000 1.049 330 T CB 1.371 69.733 68.868 -0.843 0.000 0.947 330 T HN 0.594 nan 8.240 nan 0.000 0.472 331 T N 2.260 116.687 114.554 -0.211 0.000 2.971 331 T HA 0.650 5.000 4.350 0.000 0.000 0.304 331 T C -1.246 173.472 174.700 0.030 0.000 1.038 331 T CA -0.746 61.326 62.100 -0.048 0.000 1.007 331 T CB 0.425 69.264 68.868 -0.048 0.000 1.055 331 T HN 0.424 nan 8.240 nan 0.000 0.451 332 I N 5.504 126.130 120.570 0.094 0.000 2.382 332 I HA 0.469 4.639 4.170 0.000 0.000 0.285 332 I C -0.228 175.916 176.117 0.045 0.000 1.007 332 I CA -0.749 60.595 61.300 0.074 0.000 1.142 332 I CB 1.502 39.564 38.000 0.104 0.000 1.289 332 I HN 0.581 nan 8.210 nan 0.000 0.453 333 I N 5.286 125.870 120.570 0.023 0.000 2.353 333 I HA 0.285 4.455 4.170 0.000 0.000 0.293 333 I C -0.340 175.781 176.117 0.006 0.000 0.992 333 I CA -0.419 60.889 61.300 0.013 0.000 1.268 333 I CB 0.970 38.973 38.000 0.005 0.000 1.387 333 I HN 0.597 nan 8.210 nan 0.000 0.478 334 D N 4.491 124.894 120.400 0.005 0.000 3.729 334 D HA -0.100 4.540 4.640 0.000 0.000 0.242 334 D C 0.140 176.438 176.300 -0.004 0.000 1.091 334 D CA 0.951 54.951 54.000 -0.001 0.000 1.096 334 D CB -0.159 40.637 40.800 -0.006 0.000 0.901 334 D HN 0.844 nan 8.370 nan 0.000 0.416 335 G N 0.666 109.467 108.800 0.000 0.000 2.572 335 G HA2 0.394 4.354 3.960 0.000 0.000 0.261 335 G HA3 0.394 4.354 3.960 0.000 0.000 0.261 335 G C 1.298 176.196 174.900 -0.004 0.000 1.197 335 G CA -0.394 44.705 45.100 -0.000 0.000 0.870 335 G HN 0.379 nan 8.290 nan 0.000 0.548 336 V N 1.197 121.110 119.914 -0.003 0.000 3.129 336 V HA 0.091 4.211 4.120 0.000 0.000 0.259 336 V C 2.070 178.167 176.094 0.005 0.000 1.116 336 V CA 0.943 63.242 62.300 -0.001 0.000 1.127 336 V CB -0.681 31.143 31.823 0.002 0.000 0.742 336 V HN 0.815 nan 8.190 nan 0.000 0.474 337 G N 1.050 109.854 108.800 0.006 0.000 2.265 337 G HA2 0.096 4.056 3.960 0.000 0.000 0.240 337 G HA3 0.096 4.056 3.960 0.000 0.000 0.240 337 G C -0.159 174.742 174.900 0.002 0.000 1.270 337 G CA -0.159 44.944 45.100 0.005 0.000 0.901 337 G HN 0.531 nan 8.290 nan 0.000 0.507 338 E N 1.751 121.952 120.200 0.002 0.000 2.331 338 E HA 0.097 4.447 4.350 0.000 0.000 0.272 338 E C 0.619 177.218 176.600 -0.002 0.000 1.036 338 E CA -0.233 56.167 56.400 0.000 0.000 0.864 338 E CB 1.591 31.292 29.700 0.001 0.000 1.035 338 E HN 0.660 nan 8.360 nan 0.000 0.408 339 E N 1.473 121.672 120.200 -0.002 0.000 2.463 339 E HA -0.200 4.150 4.350 0.000 0.000 0.201 339 E C 1.453 178.051 176.600 -0.004 0.000 1.045 339 E CA 0.624 57.022 56.400 -0.003 0.000 0.872 339 E CB -0.013 29.686 29.700 -0.003 0.000 0.797 339 E HN 0.570 nan 8.360 nan 0.000 0.538 340 A N 1.534 124.352 122.820 -0.003 0.000 1.841 340 A HA -0.052 4.268 4.320 0.000 0.000 0.214 340 A C 2.410 179.991 177.584 -0.005 0.000 1.195 340 A CA 1.451 53.486 52.037 -0.004 0.000 0.611 340 A CB -0.732 18.266 19.000 -0.003 0.000 0.835 340 A HN 0.314 nan 8.150 nan 0.000 0.443 341 A N 0.046 122.864 122.820 -0.004 0.000 1.877 341 A HA -0.090 4.230 4.320 0.000 0.000 0.216 341 A C 2.132 179.711 177.584 -0.009 0.000 1.186 341 A CA 1.597 53.630 52.037 -0.006 0.000 0.620 341 A CB -0.745 18.253 19.000 -0.004 0.000 0.822 341 A HN 0.511 nan 8.150 nan 0.000 0.443 342 I N -1.052 119.513 120.570 -0.008 0.000 2.058 342 I HA -0.320 3.850 4.170 0.000 0.000 0.235 342 I C 2.743 178.853 176.117 -0.011 0.000 1.053 342 I CA 1.984 63.278 61.300 -0.010 0.000 1.313 342 I CB -0.581 37.414 38.000 -0.008 0.000 1.039 342 I HN 0.335 nan 8.210 nan 0.000 0.396 343 Q N 1.291 121.086 119.800 -0.009 0.000 2.248 343 Q HA -0.153 4.187 4.340 0.000 0.000 0.208 343 Q C 1.946 177.940 176.000 -0.010 0.000 0.984 343 Q CA 1.986 57.783 55.803 -0.009 0.000 0.875 343 Q CB -0.743 27.991 28.738 -0.007 0.000 0.910 343 Q HN 0.567 nan 8.270 nan 0.000 0.433 344 G N -0.006 108.788 108.800 -0.010 0.000 2.484 344 G HA2 -0.338 3.622 3.960 0.000 0.000 0.215 344 G HA3 -0.338 3.622 3.960 0.000 0.000 0.215 344 G C 1.465 176.357 174.900 -0.014 0.000 1.219 344 G CA 0.891 45.985 45.100 -0.011 0.000 0.791 344 G HN 0.384 nan 8.290 nan 0.000 0.550 345 R N 0.209 120.700 120.500 -0.015 0.000 2.117 345 R HA -0.045 4.295 4.340 0.000 0.000 0.243 345 R C 2.526 178.814 176.300 -0.021 0.000 1.143 345 R CA 1.636 57.724 56.100 -0.019 0.000 0.968 345 R CB -0.921 29.366 30.300 -0.022 0.000 0.863 345 R HN 0.247 nan 8.270 nan 0.000 0.444 346 V N 0.552 120.455 119.914 -0.019 0.000 2.343 346 V HA -0.185 3.935 4.120 0.000 0.000 0.247 346 V C 2.279 178.362 176.094 -0.019 0.000 1.051 346 V CA 1.928 64.216 62.300 -0.019 0.000 1.036 346 V CB -0.894 30.919 31.823 -0.016 0.000 0.654 346 V HN 0.556 nan 8.190 nan 0.000 0.451 347 A N -1.224 121.586 122.820 -0.016 0.000 2.121 347 A HA -0.210 4.110 4.320 0.000 0.000 0.218 347 A C 2.154 179.728 177.584 -0.017 0.000 1.154 347 A CA 1.406 53.434 52.037 -0.015 0.000 0.679 347 A CB -0.326 18.667 19.000 -0.012 0.000 0.795 347 A HN 0.653 nan 8.150 nan 0.000 0.458 348 Q N -0.590 119.198 119.800 -0.019 0.000 2.033 348 Q HA -0.012 4.328 4.340 0.000 0.000 0.196 348 Q C 1.838 177.824 176.000 -0.024 0.000 0.970 348 Q CA 1.386 57.177 55.803 -0.021 0.000 0.828 348 Q CB -0.237 28.488 28.738 -0.022 0.000 0.895 348 Q HN 0.763 nan 8.270 nan 0.000 0.440 349 I N 0.316 120.869 120.570 -0.028 0.000 2.614 349 I HA -0.194 3.976 4.170 0.000 0.000 0.258 349 I C 2.371 178.470 176.117 -0.030 0.000 1.189 349 I CA 0.666 61.947 61.300 -0.032 0.000 1.462 349 I CB -0.189 37.789 38.000 -0.037 0.000 1.092 349 I HN 0.058 nan 8.210 nan 0.000 0.442 350 R N 1.106 121.592 120.500 -0.025 0.000 2.120 350 R HA -0.146 4.194 4.340 0.000 0.000 0.234 350 R C 2.047 178.335 176.300 -0.021 0.000 1.123 350 R CA 1.389 57.476 56.100 -0.022 0.000 0.975 350 R CB -0.017 30.272 30.300 -0.018 0.000 0.866 350 R HN 0.434 nan 8.270 nan 0.000 0.446 351 Q N -0.879 118.908 119.800 -0.020 0.000 2.392 351 Q HA -0.002 4.338 4.340 0.000 0.000 0.203 351 Q C 1.520 177.507 176.000 -0.021 0.000 0.917 351 Q CA 0.201 55.993 55.803 -0.019 0.000 0.939 351 Q CB 0.661 29.390 28.738 -0.016 0.000 1.063 351 Q HN 0.409 nan 8.270 nan 0.000 0.516 352 Q N 0.325 120.109 119.800 -0.026 0.000 2.096 352 Q HA -0.077 4.263 4.340 0.000 0.000 0.197 352 Q C 2.063 178.044 176.000 -0.032 0.000 0.964 352 Q CA 0.959 56.743 55.803 -0.031 0.000 0.838 352 Q CB 0.007 28.721 28.738 -0.039 0.000 0.906 352 Q HN 0.461 nan 8.270 nan 0.000 0.444 353 I N 1.517 122.068 120.570 -0.032 0.000 2.226 353 I HA -0.252 3.918 4.170 0.000 0.000 0.245 353 I C 2.172 178.275 176.117 -0.022 0.000 1.100 353 I CA 1.050 62.331 61.300 -0.031 0.000 1.374 353 I CB -0.428 37.554 38.000 -0.030 0.000 1.057 353 I HN 0.093 nan 8.210 nan 0.000 0.413 354 E N 1.364 121.553 120.200 -0.019 0.000 2.118 354 E HA -0.231 4.119 4.350 0.000 0.000 0.195 354 E C 1.535 178.128 176.600 -0.012 0.000 0.992 354 E CA 1.497 57.889 56.400 -0.014 0.000 0.804 354 E CB -0.327 29.366 29.700 -0.012 0.000 0.741 354 E HN 0.679 nan 8.360 nan 0.000 0.458 355 E N 0.001 120.192 120.200 -0.014 0.000 2.501 355 E HA 0.306 4.656 4.350 0.000 0.000 0.201 355 E C -0.007 176.585 176.600 -0.013 0.000 1.016 355 E CA -0.030 56.363 56.400 -0.012 0.000 0.920 355 E CB 0.814 30.507 29.700 -0.012 0.000 1.023 355 E HN 0.043 nan 8.360 nan 0.000 0.474 356 A N 1.904 124.714 122.820 -0.017 0.000 2.541 356 A HA 0.070 4.390 4.320 0.000 0.000 0.293 356 A C 1.394 178.974 177.584 -0.007 0.000 1.307 356 A CA -0.034 51.992 52.037 -0.018 0.000 0.978 356 A CB -0.501 18.482 19.000 -0.030 0.000 1.111 356 A HN 0.268 nan 8.150 nan 0.000 0.535 357 T N 0.042 114.595 114.554 -0.001 0.000 3.085 357 T HA 0.096 4.446 4.350 0.000 0.000 0.263 357 T C 0.982 175.691 174.700 0.014 0.000 1.127 357 T CA 0.913 63.017 62.100 0.006 0.000 1.103 357 T CB -0.083 68.789 68.868 0.006 0.000 0.921 357 T HN 0.499 nan 8.240 nan 0.000 0.510 358 S N -0.465 115.245 115.700 0.017 0.000 2.747 358 S HA 0.389 4.859 4.470 0.000 0.000 0.300 358 S C 0.329 174.951 174.600 0.035 0.000 1.121 358 S CA -0.742 57.479 58.200 0.035 0.000 0.995 358 S CB 1.442 64.675 63.200 0.056 0.000 1.113 358 S HN 0.134 nan 8.310 nan 0.000 0.547 359 D N 0.130 120.566 120.400 0.061 0.000 2.290 359 D HA 0.015 4.655 4.640 0.000 0.000 0.224 359 D C 1.395 177.743 176.300 0.080 0.000 0.967 359 D CA 0.946 54.982 54.000 0.060 0.000 0.893 359 D CB -0.429 40.411 40.800 0.066 0.000 1.037 359 D HN 0.657 nan 8.370 nan 0.000 0.477 360 Y N 2.036 122.336 120.300 -0.000 0.000 2.333 360 Y HA -0.172 4.378 4.550 -0.000 0.000 0.290 360 Y C 1.240 177.135 175.900 -0.007 0.000 1.144 360 Y CA 1.542 59.642 58.100 0.000 0.000 1.228 360 Y CB -0.145 38.318 38.460 0.005 0.000 0.985 360 Y HN -0.116 nan 8.280 nan 0.000 0.542 361 D N -0.590 119.757 120.400 -0.090 0.000 2.219 361 D HA -0.103 4.537 4.640 0.000 0.000 0.205 361 D C 2.119 178.337 176.300 -0.138 0.000 0.970 361 D CA 0.959 54.875 54.000 -0.139 0.000 0.851 361 D CB -0.041 40.736 40.800 -0.038 0.000 0.943 361 D HN 0.277 nan 8.370 nan 0.000 0.488 362 R N 0.273 120.715 120.500 -0.097 0.000 2.100 362 R HA -0.060 4.280 4.340 0.000 0.000 0.220 362 R C 1.665 177.908 176.300 -0.095 0.000 1.091 362 R CA 0.682 56.737 56.100 -0.075 0.000 0.986 362 R CB 0.260 30.536 30.300 -0.039 0.000 0.888 362 R HN 0.070 nan 8.270 nan 0.000 0.444 363 E N 1.151 121.277 120.200 -0.122 0.000 2.023 363 E HA -0.218 4.132 4.350 0.000 0.000 0.196 363 E C 1.774 178.291 176.600 -0.137 0.000 1.003 363 E CA 1.222 57.552 56.400 -0.116 0.000 0.809 363 E CB -0.212 29.418 29.700 -0.115 0.000 0.755 363 E HN 0.156 nan 8.360 nan 0.000 0.449 364 K N 0.906 121.173 120.400 -0.222 0.000 2.032 364 K HA -0.059 4.261 4.320 0.000 0.000 0.209 364 K C 2.535 179.060 176.600 -0.125 0.000 1.048 364 K CA 0.745 56.920 56.287 -0.186 0.000 0.927 364 K CB -0.810 31.535 32.500 -0.259 0.000 0.712 364 K HN 0.184 nan 8.250 nan 0.000 0.441 365 L N 1.081 122.230 121.223 -0.122 0.000 2.012 365 L HA -0.235 4.105 4.340 0.000 0.000 0.210 365 L C 2.679 179.509 176.870 -0.066 0.000 1.073 365 L CA 1.420 56.208 54.840 -0.087 0.000 0.748 365 L CB -0.529 41.483 42.059 -0.079 0.000 0.891 365 L HN 0.241 nan 8.230 nan 0.000 0.431 366 Q N -0.157 119.605 119.800 -0.063 0.000 2.124 366 Q HA -0.236 4.104 4.340 0.000 0.000 0.202 366 Q C 2.126 178.101 176.000 -0.040 0.000 0.977 366 Q CA 1.602 57.377 55.803 -0.047 0.000 0.850 366 Q CB -0.082 28.630 28.738 -0.045 0.000 0.901 366 Q HN 0.521 nan 8.270 nan 0.000 0.429 367 E N 0.397 120.569 120.200 -0.045 0.000 2.038 367 E HA -0.207 4.143 4.350 0.000 0.000 0.195 367 E C 2.026 178.609 176.600 -0.028 0.000 1.000 367 E CA 1.137 57.518 56.400 -0.031 0.000 0.803 367 E CB -0.049 29.632 29.700 -0.032 0.000 0.750 367 E HN 0.274 nan 8.360 nan 0.000 0.448 368 R N 0.527 121.003 120.500 -0.041 0.000 2.096 368 R HA -0.119 4.221 4.340 0.000 0.000 0.235 368 R C 2.730 179.010 176.300 -0.033 0.000 1.127 368 R CA 1.429 57.504 56.100 -0.041 0.000 0.968 368 R CB -0.722 29.544 30.300 -0.056 0.000 0.861 368 R HN 0.236 nan 8.270 nan 0.000 0.440 369 V N -0.949 118.945 119.914 -0.033 0.000 2.407 369 V HA -0.112 4.008 4.120 0.000 0.000 0.248 369 V C 2.211 178.293 176.094 -0.019 0.000 1.055 369 V CA 1.885 64.169 62.300 -0.027 0.000 1.049 369 V CB -0.711 31.095 31.823 -0.028 0.000 0.662 369 V HN 0.255 nan 8.190 nan 0.000 0.455 370 A N 0.140 122.950 122.820 -0.016 0.000 1.929 370 A HA -0.061 4.259 4.320 0.000 0.000 0.216 370 A C 2.286 179.868 177.584 -0.002 0.000 1.176 370 A CA 1.646 53.678 52.037 -0.009 0.000 0.628 370 A CB -0.557 18.439 19.000 -0.007 0.000 0.816 370 A HN 0.589 nan 8.150 nan 0.000 0.444 371 K N -0.765 119.634 120.400 -0.002 0.000 2.209 371 K HA -0.028 4.292 4.320 0.000 0.000 0.204 371 K C 1.509 178.110 176.600 0.002 0.000 1.048 371 K CA 1.244 57.535 56.287 0.007 0.000 0.940 371 K CB -0.192 32.310 32.500 0.004 0.000 0.729 371 K HN 0.472 nan 8.250 nan 0.000 0.451 372 L N -1.092 120.126 121.223 -0.009 0.000 2.362 372 L HA 0.116 4.456 4.340 0.000 0.000 0.204 372 L C 1.887 178.753 176.870 -0.008 0.000 1.060 372 L CA 0.262 55.096 54.840 -0.011 0.000 0.827 372 L CB -0.123 41.925 42.059 -0.019 0.000 1.027 372 L HN 0.075 nan 8.230 nan 0.000 0.474 373 A N 0.227 123.041 122.820 -0.008 0.000 3.051 373 A HA 0.317 4.637 4.320 0.000 0.000 0.187 373 A C 1.725 179.307 177.584 -0.003 0.000 1.690 373 A CA 0.874 52.907 52.037 -0.007 0.000 0.677 373 A CB -1.392 17.602 19.000 -0.009 0.000 1.164 373 A HN 0.257 nan 8.150 nan 0.000 0.473 374 G N -1.638 107.160 108.800 -0.003 0.000 3.078 374 G HA2 0.435 4.395 3.960 0.000 0.000 0.163 374 G HA3 0.435 4.395 3.960 0.000 0.000 0.163 374 G C 0.485 175.386 174.900 0.002 0.000 1.894 374 G CA 0.668 45.767 45.100 -0.001 0.000 0.951 374 G HN 1.419 nan 8.290 nan 0.000 0.446 375 G N -2.643 106.159 108.800 0.003 0.000 2.721 375 G HA2 0.505 4.465 3.960 0.000 0.000 0.296 375 G HA3 0.505 4.465 3.960 0.000 0.000 0.296 375 G C -2.084 172.819 174.900 0.006 0.000 1.383 375 G CA -0.256 44.848 45.100 0.006 0.000 0.788 375 G HN 0.697 nan 8.290 nan 0.000 0.500 376 V N -0.065 119.855 119.914 0.009 0.000 2.604 376 V HA 0.814 4.934 4.120 0.000 0.000 0.305 376 V C 0.004 176.103 176.094 0.009 0.000 1.043 376 V CA -0.263 62.043 62.300 0.010 0.000 0.888 376 V CB 1.453 33.284 31.823 0.014 0.000 0.995 376 V HN 1.361 nan 8.190 nan 0.000 0.429 377 A N 4.262 127.088 122.820 0.009 0.000 2.401 377 A HA 0.931 5.251 4.320 0.000 0.000 0.310 377 A C -1.274 176.317 177.584 0.011 0.000 1.075 377 A CA -0.574 51.468 52.037 0.009 0.000 0.746 377 A CB 2.033 21.038 19.000 0.008 0.000 1.277 377 A HN 0.683 nan 8.150 nan 0.000 0.425 378 V N 2.564 122.484 119.914 0.011 0.000 2.540 378 V HA 0.423 4.543 4.120 0.000 0.000 0.302 378 V C -0.390 175.711 176.094 0.012 0.000 1.035 378 V CA -0.250 62.057 62.300 0.012 0.000 0.873 378 V CB 1.481 33.310 31.823 0.010 0.000 0.992 378 V HN 0.742 nan 8.190 nan 0.000 0.428 379 I N 4.509 125.088 120.570 0.015 0.000 2.321 379 I HA 0.392 4.562 4.170 0.000 0.000 0.291 379 I C 0.156 176.280 176.117 0.013 0.000 0.998 379 I CA -0.401 60.907 61.300 0.014 0.000 1.227 379 I CB 1.191 39.201 38.000 0.017 0.000 1.368 379 I HN 0.510 nan 8.210 nan 0.000 0.466 380 K N 6.017 126.423 120.400 0.010 0.000 2.240 380 K HA 0.493 4.813 4.320 0.000 0.000 0.271 380 K C -0.954 175.651 176.600 0.007 0.000 1.018 380 K CA -0.641 55.651 56.287 0.008 0.000 0.874 380 K CB 2.060 34.564 32.500 0.006 0.000 1.098 380 K HN 0.320 nan 8.250 nan 0.000 0.458 381 V N 2.007 121.925 119.914 0.008 0.000 2.432 381 V HA 0.380 4.500 4.120 0.000 0.000 0.275 381 V C 0.705 176.802 176.094 0.004 0.000 1.043 381 V CA -0.922 61.382 62.300 0.006 0.000 0.925 381 V CB 1.267 33.094 31.823 0.007 0.000 0.985 381 V HN 0.883 nan 8.190 nan 0.000 0.466 382 G N 2.639 111.441 108.800 0.003 0.000 2.389 382 G HA2 0.794 4.754 3.960 0.000 0.000 0.328 382 G HA3 0.794 4.754 3.960 0.000 0.000 0.328 382 G C -0.545 174.356 174.900 0.001 0.000 1.133 382 G CA -0.035 45.066 45.100 0.002 0.000 0.891 382 G HN 1.266 nan 8.290 nan 0.000 0.485 383 A N 0.158 122.978 122.820 0.001 0.000 2.610 383 A HA 0.800 5.120 4.320 0.000 0.000 0.291 383 A C 0.748 178.332 177.584 0.000 0.000 1.086 383 A CA 0.297 52.334 52.037 0.000 0.000 0.677 383 A CB 0.836 19.836 19.000 0.000 0.000 1.278 383 A HN 1.708 nan 8.150 nan 0.000 0.414 384 A N -0.034 122.786 122.820 -0.001 0.000 1.872 384 A HA 0.317 4.638 4.320 0.000 0.000 0.214 384 A C 1.626 179.210 177.584 -0.000 0.000 1.187 384 A CA 2.623 54.660 52.037 -0.001 0.000 0.614 384 A CB -0.921 18.078 19.000 -0.002 0.000 0.826 384 A HN 1.735 nan 8.150 nan 0.000 0.442 385 T N -4.498 110.056 114.554 -0.001 0.000 2.886 385 T HA 0.478 4.828 4.350 0.000 0.000 0.259 385 T C 0.841 175.541 174.700 0.001 0.000 1.125 385 T CA 0.339 62.438 62.100 -0.000 0.000 0.988 385 T CB 0.893 69.760 68.868 -0.002 0.000 2.203 385 T HN 0.185 nan 8.240 nan 0.000 0.552 386 E N -0.508 119.692 120.200 0.001 0.000 2.489 386 E HA 0.115 4.465 4.350 0.000 0.000 0.208 386 E C 2.191 178.793 176.600 0.002 0.000 0.814 386 E CA 0.491 56.893 56.400 0.003 0.000 1.348 386 E CB 0.713 30.416 29.700 0.005 0.000 1.334 386 E HN 0.477 nan 8.360 nan 0.000 0.672 387 V N 0.024 119.938 119.914 -0.001 0.000 2.568 387 V HA -0.199 3.921 4.120 0.000 0.000 0.253 387 V C 1.977 178.069 176.094 -0.003 0.000 1.072 387 V CA 2.226 64.525 62.300 -0.003 0.000 1.084 387 V CB -0.542 31.277 31.823 -0.007 0.000 0.676 387 V HN 0.173 nan 8.190 nan 0.000 0.469 388 E N -0.258 119.941 120.200 -0.002 0.000 2.102 388 E HA -0.138 4.212 4.350 0.000 0.000 0.190 388 E C 2.104 178.704 176.600 -0.001 0.000 0.971 388 E CA 0.981 57.380 56.400 -0.002 0.000 0.821 388 E CB -0.135 29.564 29.700 -0.003 0.000 0.777 388 E HN 0.492 nan 8.360 nan 0.000 0.460 389 M N 1.525 121.126 119.600 0.001 0.000 2.089 389 M HA -0.221 4.259 4.480 0.000 0.000 0.257 389 M C 1.869 178.170 176.300 0.003 0.000 1.071 389 M CA 1.861 57.163 55.300 0.002 0.000 1.096 389 M CB -0.114 32.488 32.600 0.004 0.000 1.330 389 M HN -0.093 nan 8.290 nan 0.000 0.403 390 K N -0.554 119.849 120.400 0.004 0.000 1.985 390 K HA -0.249 4.071 4.320 0.000 0.000 0.210 390 K C 1.950 178.550 176.600 -0.000 0.000 1.047 390 K CA 2.008 58.297 56.287 0.004 0.000 0.932 390 K CB -0.335 32.169 32.500 0.007 0.000 0.716 390 K HN 0.560 nan 8.250 nan 0.000 0.439 391 E N 1.236 121.435 120.200 -0.002 0.000 2.085 391 E HA -0.265 4.085 4.350 0.000 0.000 0.194 391 E C 1.848 178.444 176.600 -0.006 0.000 0.994 391 E CA 1.799 58.196 56.400 -0.005 0.000 0.801 391 E CB -0.051 29.645 29.700 -0.006 0.000 0.743 391 E HN 0.069 nan 8.360 nan 0.000 0.453 392 K N 0.944 121.342 120.400 -0.004 0.000 2.002 392 K HA -0.140 4.180 4.320 0.000 0.000 0.209 392 K C 2.188 178.787 176.600 -0.002 0.000 1.048 392 K CA 1.941 58.226 56.287 -0.003 0.000 0.930 392 K CB -0.264 32.236 32.500 -0.001 0.000 0.714 392 K HN 0.101 nan 8.250 nan 0.000 0.438 393 K N -0.364 120.035 120.400 -0.000 0.000 2.059 393 K HA -0.196 4.124 4.320 0.000 0.000 0.212 393 K C 1.878 178.475 176.600 -0.005 0.000 1.050 393 K CA 1.644 57.932 56.287 0.002 0.000 0.927 393 K CB -0.345 32.159 32.500 0.005 0.000 0.714 393 K HN 0.303 nan 8.250 nan 0.000 0.447 394 A N 0.674 123.488 122.820 -0.010 0.000 2.121 394 A HA -0.120 4.200 4.320 0.000 0.000 0.218 394 A C 1.948 179.514 177.584 -0.031 0.000 1.154 394 A CA 1.122 53.145 52.037 -0.023 0.000 0.679 394 A CB -0.232 18.756 19.000 -0.020 0.000 0.795 394 A HN 0.286 nan 8.150 nan 0.000 0.458 395 R N -1.073 119.416 120.500 -0.019 0.000 2.064 395 R HA 0.023 4.363 4.340 0.000 0.000 0.221 395 R C 1.996 178.288 176.300 -0.013 0.000 1.136 395 R CA 1.131 57.220 56.100 -0.019 0.000 0.980 395 R CB -0.359 29.934 30.300 -0.012 0.000 0.876 395 R HN 0.329 nan 8.270 nan 0.000 0.437 396 V N 1.854 121.766 119.914 -0.004 0.000 2.380 396 V HA -0.265 3.855 4.120 0.000 0.000 0.251 396 V C 2.187 178.290 176.094 0.015 0.000 1.063 396 V CA 1.731 64.035 62.300 0.008 0.000 1.055 396 V CB -0.475 31.355 31.823 0.012 0.000 0.657 396 V HN 0.307 nan 8.190 nan 0.000 0.455 397 E N 0.181 120.380 120.200 -0.003 0.000 2.051 397 E HA -0.246 4.104 4.350 0.000 0.000 0.192 397 E C 2.029 178.580 176.600 -0.082 0.000 0.991 397 E CA 1.792 58.182 56.400 -0.017 0.000 0.799 397 E CB -0.363 29.303 29.700 -0.057 0.000 0.748 397 E HN 0.651 nan 8.360 nan 0.000 0.449 398 D N 0.257 120.591 120.400 -0.109 0.000 2.104 398 D HA -0.122 4.518 4.640 0.000 0.000 0.194 398 D C 1.825 178.111 176.300 -0.022 0.000 0.994 398 D CA 1.735 55.662 54.000 -0.122 0.000 0.830 398 D CB -0.159 40.595 40.800 -0.077 0.000 0.959 398 D HN 0.185 nan 8.370 nan 0.000 0.452 399 A N 0.639 123.464 122.820 0.010 0.000 1.877 399 A HA -0.124 4.196 4.320 0.000 0.000 0.216 399 A C 2.089 179.719 177.584 0.076 0.000 1.186 399 A CA 0.759 52.818 52.037 0.037 0.000 0.620 399 A CB -0.810 18.204 19.000 0.024 0.000 0.822 399 A HN 0.288 nan 8.150 nan 0.000 0.443 400 L N -0.605 120.677 121.223 0.098 0.000 2.129 400 L HA -0.239 4.101 4.340 0.000 0.000 0.212 400 L C 2.220 179.201 176.870 0.184 0.000 1.087 400 L CA 2.495 57.412 54.840 0.129 0.000 0.757 400 L CB -1.120 41.025 42.059 0.142 0.000 0.896 400 L HN 0.530 nan 8.230 nan 0.000 0.434 401 H N -0.769 118.309 119.070 0.014 0.000 2.372 401 H HA 0.100 4.656 4.556 -0.000 0.000 0.301 401 H C 2.175 177.513 175.328 0.016 0.000 1.065 401 H CA 1.245 57.303 56.048 0.016 0.000 1.364 401 H CB -0.249 29.525 29.762 0.020 0.000 1.406 401 H HN 0.378 nan 8.280 nan 0.000 0.521 402 A N 0.409 123.325 122.820 0.160 0.000 1.933 402 A HA -0.188 4.132 4.320 0.000 0.000 0.218 402 A C 2.480 180.101 177.584 0.062 0.000 1.175 402 A CA 2.197 54.289 52.037 0.091 0.000 0.628 402 A CB -1.074 17.962 19.000 0.061 0.000 0.814 402 A HN 0.604 nan 8.150 nan 0.000 0.444 403 T N -1.658 112.929 114.554 0.055 0.000 2.674 403 T HA -0.193 4.157 4.350 0.000 0.000 0.265 403 T C 1.903 176.618 174.700 0.025 0.000 1.039 403 T CA 1.167 63.287 62.100 0.034 0.000 1.150 403 T CB -0.485 68.401 68.868 0.029 0.000 0.864 403 T HN 0.432 nan 8.240 nan 0.000 0.427 404 R N 1.574 122.087 120.500 0.021 0.000 2.211 404 R HA 0.032 4.372 4.340 0.000 0.000 0.240 404 R C 2.696 178.997 176.300 0.000 0.000 1.144 404 R CA 1.309 57.406 56.100 -0.005 0.000 0.992 404 R CB -0.826 29.446 30.300 -0.045 0.000 0.869 404 R HN 0.641 nan 8.270 nan 0.000 0.462 405 A N 0.788 123.619 122.820 0.019 0.000 1.903 405 A HA 0.128 4.448 4.320 0.000 0.000 0.213 405 A C 2.374 179.969 177.584 0.018 0.000 1.185 405 A CA 0.985 53.036 52.037 0.022 0.000 0.628 405 A CB -0.389 18.635 19.000 0.041 0.000 0.830 405 A HN 0.289 nan 8.150 nan 0.000 0.446 406 A N -0.247 122.585 122.820 0.020 0.000 1.908 406 A HA -0.074 4.246 4.320 0.000 0.000 0.218 406 A C 2.213 179.803 177.584 0.010 0.000 1.181 406 A CA 1.999 54.045 52.037 0.015 0.000 0.627 406 A CB -0.991 18.019 19.000 0.016 0.000 0.818 406 A HN 0.386 nan 8.150 nan 0.000 0.445 407 V N 0.941 120.860 119.914 0.008 0.000 2.343 407 V HA -0.264 3.856 4.120 0.000 0.000 0.247 407 V C 2.542 178.637 176.094 0.002 0.000 1.051 407 V CA 2.309 64.611 62.300 0.004 0.000 1.036 407 V CB -0.838 30.986 31.823 0.001 0.000 0.654 407 V HN 0.935 nan 8.190 nan 0.000 0.451 408 E N -0.176 120.025 120.200 0.001 0.000 2.435 408 E HA -0.132 4.218 4.350 0.000 0.000 0.195 408 E C 1.644 178.246 176.600 0.002 0.000 1.029 408 E CA 1.207 57.607 56.400 -0.000 0.000 0.865 408 E CB 0.090 29.788 29.700 -0.003 0.000 0.833 408 E HN 0.680 nan 8.360 nan 0.000 0.510 409 E N -0.197 120.006 120.200 0.004 0.000 2.712 409 E HA 0.209 4.559 4.350 0.000 0.000 0.221 409 E C -0.031 176.572 176.600 0.005 0.000 0.943 409 E CA 0.215 56.618 56.400 0.004 0.000 1.259 409 E CB 1.216 30.918 29.700 0.004 0.000 1.167 409 E HN 0.346 nan 8.360 nan 0.000 0.569 410 G N 0.610 109.413 108.800 0.006 0.000 2.757 410 G HA2 -0.185 3.775 3.960 0.000 0.000 0.638 410 G HA3 -0.185 3.775 3.960 0.000 0.000 0.638 410 G C -0.469 174.437 174.900 0.009 0.000 1.344 410 G CA -0.450 44.654 45.100 0.007 0.000 0.855 410 G HN 0.621 nan 8.290 nan 0.000 0.537 411 V N -2.389 117.531 119.914 0.010 0.000 3.001 411 V HA 0.994 5.114 4.120 0.000 0.000 0.314 411 V C 0.578 176.679 176.094 0.012 0.000 1.099 411 V CA 0.227 62.534 62.300 0.011 0.000 0.989 411 V CB 1.436 33.266 31.823 0.011 0.000 1.040 411 V HN 2.503 nan 8.190 nan 0.000 0.434 412 V N -0.583 119.339 119.914 0.013 0.000 3.156 412 V HA 1.013 5.133 4.120 0.000 0.000 0.310 412 V C 0.418 176.521 176.094 0.017 0.000 1.234 412 V CA -0.725 61.584 62.300 0.015 0.000 1.065 412 V CB 1.240 33.072 31.823 0.014 0.000 1.088 412 V HN 2.088 nan 8.190 nan 0.000 0.451 413 A N 0.774 123.607 122.820 0.021 0.000 2.492 413 A HA 0.652 4.972 4.320 0.000 0.000 0.254 413 A C 0.889 178.484 177.584 0.018 0.000 1.091 413 A CA 0.566 52.616 52.037 0.022 0.000 0.768 413 A CB -0.571 18.448 19.000 0.032 0.000 1.028 413 A HN 1.981 nan 8.150 nan 0.000 0.498 414 G N 0.860 109.667 108.800 0.012 0.000 2.525 414 G HA2 0.495 4.455 3.960 0.000 0.000 0.276 414 G HA3 0.495 4.455 3.960 0.000 0.000 0.276 414 G C 1.199 176.106 174.900 0.012 0.000 1.388 414 G CA 0.056 45.162 45.100 0.010 0.000 1.050 414 G HN 2.277 nan 8.290 nan 0.000 0.520 415 G N -2.249 106.558 108.800 0.012 0.000 2.153 415 G HA2 0.199 4.159 3.960 0.000 0.000 0.252 415 G HA3 0.199 4.159 3.960 0.000 0.000 0.252 415 G C 1.461 176.381 174.900 0.032 0.000 0.994 415 G CA 1.036 46.149 45.100 0.022 0.000 0.698 415 G HN 2.485 nan 8.290 nan 0.000 0.521 416 G N -1.832 106.984 108.800 0.025 0.000 2.321 416 G HA2 -0.065 3.895 3.960 0.000 0.000 0.287 416 G HA3 -0.065 3.895 3.960 0.000 0.000 0.287 416 G C 1.718 176.636 174.900 0.030 0.000 1.018 416 G CA 1.755 46.870 45.100 0.026 0.000 0.855 416 G HN 2.126 nan 8.290 nan 0.000 0.507 417 V N -0.596 119.337 119.914 0.032 0.000 2.323 417 V HA 0.168 4.288 4.120 0.000 0.000 0.244 417 V C 2.939 179.055 176.094 0.035 0.000 1.041 417 V CA 2.424 64.747 62.300 0.039 0.000 1.025 417 V CB -0.698 31.151 31.823 0.044 0.000 0.656 417 V HN 1.479 nan 8.190 nan 0.000 0.451 418 A N 0.277 123.115 122.820 0.030 0.000 1.929 418 A HA -0.281 4.039 4.320 0.000 0.000 0.221 418 A C 2.189 179.786 177.584 0.022 0.000 1.211 418 A CA 2.718 54.770 52.037 0.025 0.000 0.657 418 A CB -1.026 17.985 19.000 0.019 0.000 0.827 418 A HN 0.586 nan 8.150 nan 0.000 0.462 419 L N -0.224 121.011 121.223 0.020 0.000 2.046 419 L HA -0.115 4.225 4.340 0.000 0.000 0.208 419 L C 2.387 179.268 176.870 0.019 0.000 1.077 419 L CA 1.319 56.169 54.840 0.017 0.000 0.747 419 L CB -0.519 41.549 42.059 0.015 0.000 0.896 419 L HN 0.405 nan 8.230 nan 0.000 0.432 420 I N -0.997 119.588 120.570 0.025 0.000 2.335 420 I HA -0.278 3.892 4.170 0.000 0.000 0.251 420 I C 2.481 178.615 176.117 0.028 0.000 1.129 420 I CA 0.974 62.291 61.300 0.027 0.000 1.402 420 I CB -0.778 37.244 38.000 0.036 0.000 1.069 420 I HN 0.319 nan 8.210 nan 0.000 0.424 421 R N 0.599 121.118 120.500 0.031 0.000 2.062 421 R HA -0.068 4.272 4.340 0.000 0.000 0.229 421 R C 2.360 178.672 176.300 0.021 0.000 1.128 421 R CA 1.304 57.422 56.100 0.031 0.000 0.960 421 R CB -1.315 29.006 30.300 0.035 0.000 0.855 421 R HN 0.434 nan 8.270 nan 0.000 0.432 422 V N 0.179 120.104 119.914 0.017 0.000 2.515 422 V HA -0.061 4.059 4.120 0.000 0.000 0.250 422 V C 2.154 178.255 176.094 0.010 0.000 1.058 422 V CA 1.882 64.189 62.300 0.012 0.000 1.064 422 V CB -0.728 31.099 31.823 0.007 0.000 0.675 422 V HN 0.205 nan 8.190 nan 0.000 0.461 423 A N 1.532 124.359 122.820 0.012 0.000 1.917 423 A HA -0.211 4.109 4.320 0.000 0.000 0.219 423 A C 2.573 180.163 177.584 0.011 0.000 1.182 423 A CA 2.948 54.991 52.037 0.011 0.000 0.633 423 A CB -1.147 17.860 19.000 0.012 0.000 0.819 423 A HN 1.028 nan 8.150 nan 0.000 0.448 424 S N -0.622 115.086 115.700 0.013 0.000 2.436 424 S HA -0.051 4.419 4.470 0.000 0.000 0.228 424 S C 1.727 176.332 174.600 0.009 0.000 1.014 424 S CA 1.174 59.381 58.200 0.012 0.000 0.950 424 S CB -0.183 63.025 63.200 0.014 0.000 0.784 424 S HN 0.546 nan 8.310 nan 0.000 0.504 425 K N 1.272 121.678 120.400 0.010 0.000 2.103 425 K HA 0.104 4.424 4.320 0.000 0.000 0.207 425 K C 1.175 177.778 176.600 0.005 0.000 1.048 425 K CA 1.153 57.445 56.287 0.007 0.000 0.930 425 K CB -0.379 32.125 32.500 0.008 0.000 0.716 425 K HN 0.419 nan 8.250 nan 0.000 0.444 426 L N -0.272 120.954 121.223 0.005 0.000 2.728 426 L HA 0.240 4.580 4.340 0.000 0.000 0.235 426 L C 1.532 178.404 176.870 0.004 0.000 1.197 426 L CA -0.337 54.506 54.840 0.004 0.000 0.992 426 L CB 0.133 42.194 42.059 0.003 0.000 1.263 426 L HN 0.069 nan 8.230 nan 0.000 0.484 427 A N -0.230 122.592 122.820 0.004 0.000 2.070 427 A HA -0.163 4.157 4.320 0.000 0.000 0.220 427 A C 1.448 179.034 177.584 0.003 0.000 1.159 427 A CA 1.443 53.483 52.037 0.004 0.000 0.656 427 A CB -0.181 18.822 19.000 0.004 0.000 0.800 427 A HN 0.339 nan 8.150 nan 0.000 0.453 428 D N -1.012 119.390 120.400 0.002 0.000 2.388 428 D HA 0.205 4.845 4.640 0.000 0.000 0.221 428 D C -0.313 175.988 176.300 0.002 0.000 1.133 428 D CA -0.202 53.799 54.000 0.002 0.000 0.831 428 D CB 0.189 40.990 40.800 0.001 0.000 0.962 428 D HN 0.267 nan 8.370 nan 0.000 0.502 429 L N 1.530 122.754 121.223 0.002 0.000 2.331 429 L HA 0.266 4.606 4.340 0.000 0.000 0.278 429 L C 0.244 177.115 176.870 0.002 0.000 1.106 429 L CA 0.238 55.080 54.840 0.002 0.000 0.824 429 L CB 0.252 42.312 42.059 0.002 0.000 1.142 429 L HN -0.200 nan 8.230 nan 0.000 0.443 430 R N 2.574 123.075 120.500 0.002 0.000 2.930 430 R HA 0.764 5.104 4.340 0.000 0.000 0.257 430 R C -0.345 175.956 176.300 0.002 0.000 1.107 430 R CA -0.563 55.538 56.100 0.002 0.000 0.999 430 R CB 1.552 31.853 30.300 0.002 0.000 1.209 430 R HN 0.797 nan 8.270 nan 0.000 0.486 431 G N -0.452 108.349 108.800 0.002 0.000 3.107 431 G HA2 0.216 4.176 3.960 0.000 0.000 0.232 431 G HA3 0.216 4.176 3.960 0.000 0.000 0.232 431 G C -0.146 174.756 174.900 0.002 0.000 1.339 431 G CA -0.353 44.748 45.100 0.002 0.000 1.033 431 G HN 0.431 nan 8.290 nan 0.000 0.567 432 Q N 0.106 119.908 119.800 0.003 0.000 2.444 432 Q HA 0.173 4.513 4.340 0.000 0.000 0.206 432 Q C 0.347 176.349 176.000 0.002 0.000 0.948 432 Q CA 0.349 56.154 55.803 0.002 0.000 0.946 432 Q CB 0.021 28.760 28.738 0.003 0.000 1.027 432 Q HN 0.555 nan 8.270 nan 0.000 0.513 433 N N -1.557 117.145 118.700 0.002 0.000 3.533 433 N HA -0.057 4.683 4.740 0.000 0.000 0.229 433 N C -0.085 175.426 175.510 0.002 0.000 1.418 433 N CA -0.300 52.751 53.050 0.002 0.000 0.880 433 N CB 0.870 39.358 38.487 0.002 0.000 1.415 433 N HN -0.149 nan 8.380 nan 0.000 0.491 434 E N 0.370 120.571 120.200 0.002 0.000 2.085 434 E HA -0.140 4.210 4.350 0.000 0.000 0.194 434 E C 0.613 177.215 176.600 0.003 0.000 0.994 434 E CA 2.029 58.430 56.400 0.002 0.000 0.801 434 E CB -0.261 29.439 29.700 0.002 0.000 0.743 434 E HN 0.548 nan 8.360 nan 0.000 0.453 435 D N 0.069 120.470 120.400 0.003 0.000 2.149 435 D HA -0.167 4.473 4.640 0.000 0.000 0.198 435 D C 1.874 178.177 176.300 0.004 0.000 0.990 435 D CA 0.978 54.980 54.000 0.003 0.000 0.839 435 D CB -0.229 40.573 40.800 0.004 0.000 0.948 435 D HN 0.390 nan 8.370 nan 0.000 0.460 436 Q N -0.010 119.792 119.800 0.004 0.000 2.224 436 Q HA -0.096 4.244 4.340 0.000 0.000 0.203 436 Q C 1.694 177.696 176.000 0.004 0.000 0.970 436 Q CA 0.647 56.452 55.803 0.004 0.000 0.865 436 Q CB 0.084 28.825 28.738 0.004 0.000 0.922 436 Q HN 0.224 nan 8.270 nan 0.000 0.445 437 N N -0.202 118.499 118.700 0.003 0.000 2.135 437 N HA -0.108 4.632 4.740 0.000 0.000 0.186 437 N C 1.800 177.312 175.510 0.003 0.000 1.027 437 N CA 0.973 54.024 53.050 0.003 0.000 0.849 437 N CB -0.312 38.176 38.487 0.002 0.000 1.002 437 N HN 0.027 nan 8.380 nan 0.000 0.425 438 V N 0.835 120.751 119.914 0.003 0.000 2.469 438 V HA -0.160 3.960 4.120 0.000 0.000 0.251 438 V C 2.353 178.450 176.094 0.005 0.000 1.064 438 V CA 1.958 64.260 62.300 0.004 0.000 1.066 438 V CB -1.265 30.561 31.823 0.004 0.000 0.667 438 V HN 0.358 nan 8.190 nan 0.000 0.461 439 G N -0.317 108.486 108.800 0.005 0.000 2.422 439 G HA2 -0.190 3.770 3.960 0.000 0.000 0.218 439 G HA3 -0.190 3.770 3.960 0.000 0.000 0.218 439 G C 1.569 176.473 174.900 0.006 0.000 1.146 439 G CA 0.892 45.995 45.100 0.006 0.000 0.769 439 G HN 0.493 nan 8.290 nan 0.000 0.547 440 I N -0.133 120.440 120.570 0.005 0.000 2.193 440 I HA -0.054 4.116 4.170 0.000 0.000 0.240 440 I C 2.722 178.842 176.117 0.004 0.000 1.084 440 I CA 0.935 62.238 61.300 0.004 0.000 1.365 440 I CB -0.070 37.932 38.000 0.003 0.000 1.064 440 I HN -0.030 nan 8.210 nan 0.000 0.410 441 K N 0.574 120.977 120.400 0.004 0.000 2.113 441 K HA -0.152 4.168 4.320 0.000 0.000 0.208 441 K C 1.902 178.505 176.600 0.005 0.000 1.047 441 K CA 1.094 57.383 56.287 0.004 0.000 0.928 441 K CB -0.689 31.814 32.500 0.004 0.000 0.716 441 K HN 0.125 nan 8.250 nan 0.000 0.446 442 V N 0.269 120.186 119.914 0.006 0.000 2.295 442 V HA -0.282 3.838 4.120 0.000 0.000 0.246 442 V C 2.159 178.257 176.094 0.007 0.000 1.049 442 V CA 2.073 64.376 62.300 0.006 0.000 1.024 442 V CB -0.659 31.168 31.823 0.007 0.000 0.648 442 V HN 0.409 nan 8.190 nan 0.000 0.447 443 A N -0.463 122.361 122.820 0.007 0.000 1.898 443 A HA -0.113 4.207 4.320 0.000 0.000 0.216 443 A C 2.174 179.762 177.584 0.007 0.000 1.181 443 A CA 1.592 53.633 52.037 0.007 0.000 0.620 443 A CB -0.488 18.515 19.000 0.006 0.000 0.819 443 A HN 0.500 nan 8.150 nan 0.000 0.442 444 L N -1.167 120.059 121.223 0.006 0.000 2.012 444 L HA -0.202 4.138 4.340 0.000 0.000 0.210 444 L C 2.791 179.665 176.870 0.008 0.000 1.073 444 L CA 1.928 56.772 54.840 0.007 0.000 0.748 444 L CB -0.538 41.525 42.059 0.006 0.000 0.891 444 L HN 0.397 nan 8.230 nan 0.000 0.431 445 R N 0.054 120.558 120.500 0.007 0.000 2.152 445 R HA -0.130 4.210 4.340 0.000 0.000 0.232 445 R C 2.175 178.480 176.300 0.008 0.000 1.117 445 R CA 1.181 57.286 56.100 0.007 0.000 0.981 445 R CB -0.108 30.196 30.300 0.006 0.000 0.870 445 R HN 0.382 nan 8.270 nan 0.000 0.451 446 A N -0.268 122.558 122.820 0.009 0.000 2.072 446 A HA -0.018 4.302 4.320 0.000 0.000 0.216 446 A C 1.900 179.491 177.584 0.011 0.000 1.156 446 A CA 0.444 52.487 52.037 0.010 0.000 0.701 446 A CB -0.125 18.882 19.000 0.011 0.000 0.816 446 A HN 0.275 nan 8.150 nan 0.000 0.458 447 M N -0.384 119.222 119.600 0.011 0.000 2.460 447 M HA -0.103 4.377 4.480 0.000 0.000 0.263 447 M C 1.518 177.826 176.300 0.014 0.000 1.071 447 M CA 0.986 56.293 55.300 0.011 0.000 1.096 447 M CB -0.131 32.475 32.600 0.010 0.000 1.408 447 M HN 0.458 nan 8.290 nan 0.000 0.463 448 E N -0.113 120.095 120.200 0.013 0.000 2.347 448 E HA -0.100 4.250 4.350 0.000 0.000 0.196 448 E C 1.970 178.578 176.600 0.013 0.000 1.008 448 E CA 0.711 57.120 56.400 0.014 0.000 0.852 448 E CB -0.019 29.688 29.700 0.011 0.000 0.783 448 E HN 0.525 nan 8.360 nan 0.000 0.505 449 A N 2.060 124.888 122.820 0.012 0.000 1.902 449 A HA -0.099 4.221 4.320 0.000 0.000 0.217 449 A C -0.357 177.236 177.584 0.014 0.000 1.181 449 A CA 0.946 52.990 52.037 0.012 0.000 0.623 449 A CB -1.262 17.745 19.000 0.012 0.000 0.818 449 A HN 0.137 nan 8.150 nan 0.000 0.443 450 P HA -0.185 nan 4.420 nan 0.000 0.214 450 P C 1.804 179.118 177.300 0.022 0.000 1.163 450 P CA 0.873 63.984 63.100 0.019 0.000 0.889 450 P CB -0.161 31.552 31.700 0.021 0.000 0.790 451 L N 0.035 121.272 121.223 0.024 0.000 2.042 451 L HA -0.178 4.162 4.340 0.000 0.000 0.210 451 L C 2.075 178.956 176.870 0.018 0.000 1.076 451 L CA 2.127 56.985 54.840 0.030 0.000 0.749 451 L CB -0.884 41.195 42.059 0.032 0.000 0.893 451 L HN -0.018 nan 8.230 nan 0.000 0.432 452 R N -0.968 119.538 120.500 0.009 0.000 2.092 452 R HA -0.137 4.203 4.340 0.000 0.000 0.231 452 R C 2.200 178.501 176.300 0.001 0.000 1.119 452 R CA 0.970 57.069 56.100 -0.001 0.000 0.970 452 R CB -0.201 30.098 30.300 -0.002 0.000 0.864 452 R HN 0.457 nan 8.270 nan 0.000 0.440 453 Q N 0.719 120.524 119.800 0.009 0.000 2.123 453 Q HA -0.004 4.336 4.340 0.000 0.000 0.199 453 Q C 2.223 178.232 176.000 0.016 0.000 0.966 453 Q CA 1.087 56.897 55.803 0.010 0.000 0.845 453 Q CB 0.020 28.765 28.738 0.011 0.000 0.907 453 Q HN 0.398 nan 8.270 nan 0.000 0.439 454 I N 0.060 120.645 120.570 0.024 0.000 2.151 454 I HA -0.287 3.883 4.170 0.000 0.000 0.243 454 I C 2.257 178.402 176.117 0.047 0.000 1.080 454 I CA 1.005 62.326 61.300 0.036 0.000 1.339 454 I CB -0.364 37.664 38.000 0.047 0.000 1.039 454 I HN -0.014 nan 8.210 nan 0.000 0.409 455 V N 0.635 120.572 119.914 0.038 0.000 2.407 455 V HA -0.258 3.862 4.120 0.000 0.000 0.248 455 V C 2.309 178.407 176.094 0.006 0.000 1.055 455 V CA 1.666 63.976 62.300 0.017 0.000 1.049 455 V CB -0.398 31.387 31.823 -0.065 0.000 0.662 455 V HN 0.380 nan 8.190 nan 0.000 0.455 456 L N 0.150 121.375 121.223 0.002 0.000 2.179 456 L HA -0.022 4.318 4.340 0.000 0.000 0.208 456 L C 1.899 178.772 176.870 0.005 0.000 1.096 456 L CA 1.770 56.609 54.840 -0.001 0.000 0.779 456 L CB -0.682 41.376 42.059 -0.002 0.000 0.922 456 L HN 0.344 nan 8.230 nan 0.000 0.443 457 N N -1.880 116.827 118.700 0.011 0.000 2.550 457 N HA -0.124 4.616 4.740 0.000 0.000 0.186 457 N C 1.123 176.642 175.510 0.015 0.000 1.110 457 N CA 0.749 53.805 53.050 0.011 0.000 0.912 457 N CB -0.112 38.382 38.487 0.011 0.000 0.968 457 N HN 0.402 nan 8.380 nan 0.000 0.448 458 C N -0.340 118.973 119.300 0.023 0.000 2.791 458 C HA 0.300 4.760 4.460 0.000 0.000 0.270 458 C C 1.660 176.661 174.990 0.019 0.000 1.257 458 C CA -0.111 58.923 59.018 0.028 0.000 1.699 458 C CB -0.843 26.933 27.740 0.059 0.000 1.904 458 C HN 0.608 nan 8.230 nan 0.000 0.603 459 G N 1.554 110.361 108.800 0.011 0.000 2.147 459 G HA2 -0.197 3.763 3.960 0.000 0.000 0.244 459 G HA3 -0.197 3.763 3.960 0.000 0.000 0.244 459 G C -0.339 174.562 174.900 0.002 0.000 1.005 459 G CA 0.148 45.252 45.100 0.005 0.000 0.713 459 G HN 0.626 nan 8.290 nan 0.000 0.515 460 E N -0.108 120.090 120.200 -0.004 0.000 2.281 460 E HA 0.419 4.769 4.350 0.000 0.000 0.262 460 E C -0.276 176.300 176.600 -0.040 0.000 0.933 460 E CA -0.936 55.451 56.400 -0.021 0.000 0.809 460 E CB 1.108 30.791 29.700 -0.029 0.000 1.242 460 E HN 0.342 nan 8.360 nan 0.000 0.418 461 E N 2.280 122.451 120.200 -0.048 0.000 2.166 461 E HA 0.050 4.400 4.350 0.000 0.000 0.279 461 E C -1.967 174.598 176.600 -0.059 0.000 1.095 461 E CA -1.411 54.964 56.400 -0.041 0.000 0.888 461 E CB 0.756 30.438 29.700 -0.031 0.000 1.041 461 E HN 0.268 nan 8.360 nan 0.000 0.414 462 P HA -0.158 nan 4.420 nan 0.000 0.213 462 P C 1.544 178.816 177.300 -0.046 0.000 1.169 462 P CA 1.014 64.082 63.100 -0.053 0.000 0.885 462 P CB 0.098 31.781 31.700 -0.030 0.000 0.779 463 S N 0.165 115.848 115.700 -0.029 0.000 2.390 463 S HA -0.238 4.232 4.470 0.000 0.000 0.234 463 S C 2.066 176.651 174.600 -0.025 0.000 1.063 463 S CA 2.176 60.363 58.200 -0.021 0.000 1.108 463 S CB -2.135 61.057 63.200 -0.014 0.000 0.975 463 S HN -0.056 nan 8.310 nan 0.000 0.442 464 V N 1.784 121.680 119.914 -0.030 0.000 2.252 464 V HA -0.185 3.935 4.120 0.000 0.000 0.249 464 V C 2.656 178.732 176.094 -0.030 0.000 1.056 464 V CA 1.956 64.241 62.300 -0.026 0.000 1.022 464 V CB -0.954 30.857 31.823 -0.019 0.000 0.641 464 V HN 0.475 nan 8.190 nan 0.000 0.445 465 V N 0.070 119.938 119.914 -0.077 0.000 2.255 465 V HA -0.298 3.822 4.120 0.000 0.000 0.247 465 V C 2.693 178.772 176.094 -0.026 0.000 1.051 465 V CA 2.258 64.501 62.300 -0.096 0.000 1.018 465 V CB -1.147 30.447 31.823 -0.381 0.000 0.641 465 V HN 0.582 nan 8.190 nan 0.000 0.445 466 A N 0.067 122.867 122.820 -0.033 0.000 1.877 466 A HA -0.260 4.060 4.320 0.000 0.000 0.216 466 A C 2.035 179.621 177.584 0.003 0.000 1.186 466 A CA 2.120 54.154 52.037 -0.004 0.000 0.620 466 A CB -0.839 18.159 19.000 -0.004 0.000 0.822 466 A HN 0.585 nan 8.150 nan 0.000 0.443 467 N N -0.054 118.642 118.700 -0.007 0.000 2.049 467 N HA -0.198 4.542 4.740 0.000 0.000 0.198 467 N C 1.975 177.479 175.510 -0.010 0.000 1.030 467 N CA 2.619 55.665 53.050 -0.007 0.000 0.870 467 N CB -0.946 37.533 38.487 -0.012 0.000 1.045 467 N HN 0.710 nan 8.380 nan 0.000 0.434 468 T N -1.888 112.646 114.554 -0.033 0.000 2.995 468 T HA 0.009 4.359 4.350 0.000 0.000 0.269 468 T C 1.897 176.587 174.700 -0.017 0.000 1.091 468 T CA 0.866 62.917 62.100 -0.081 0.000 1.128 468 T CB -0.439 68.286 68.868 -0.238 0.000 0.891 468 T HN -0.028 nan 8.240 nan 0.000 0.492 469 V N 1.363 121.293 119.914 0.026 0.000 2.591 469 V HA -0.005 4.115 4.120 0.000 0.000 0.249 469 V C 2.689 178.858 176.094 0.125 0.000 1.053 469 V CA 1.420 63.770 62.300 0.084 0.000 1.068 469 V CB -0.447 31.415 31.823 0.065 0.000 0.689 469 V HN 0.523 nan 8.190 nan 0.000 0.462 470 K N 0.577 121.019 120.400 0.070 0.000 2.155 470 K HA -0.039 4.281 4.320 0.000 0.000 0.203 470 K C 2.248 178.879 176.600 0.052 0.000 1.052 470 K CA 1.196 57.517 56.287 0.056 0.000 0.948 470 K CB -0.515 32.003 32.500 0.030 0.000 0.728 470 K HN 0.532 nan 8.250 nan 0.000 0.448 471 G N 1.537 110.364 108.800 0.046 0.000 2.462 471 G HA2 -0.179 3.781 3.960 0.000 0.000 0.220 471 G HA3 -0.179 3.781 3.960 0.000 0.000 0.220 471 G C 0.801 175.703 174.900 0.002 0.000 1.121 471 G CA 0.949 46.058 45.100 0.015 0.000 0.758 471 G HN 0.388 nan 8.290 nan 0.000 0.559 472 G N -1.198 107.646 108.800 0.074 0.000 2.531 472 G HA2 0.519 4.479 3.960 0.000 0.000 0.281 472 G HA3 0.519 4.479 3.960 0.000 0.000 0.281 472 G C -1.136 173.789 174.900 0.041 0.000 1.382 472 G CA -0.433 44.660 45.100 -0.012 0.000 1.045 472 G HN 0.113 nan 8.290 nan 0.000 0.533 473 D N -2.107 118.306 120.400 0.022 0.000 2.531 473 D HA 0.527 5.167 4.640 0.000 0.000 0.244 473 D C 1.023 177.370 176.300 0.078 0.000 1.090 473 D CA 0.610 54.633 54.000 0.038 0.000 0.989 473 D CB 1.613 42.408 40.800 -0.008 0.000 1.433 473 D HN 0.801 nan 8.370 nan 0.000 0.492 474 G N 1.269 110.104 108.800 0.058 0.000 2.685 474 G HA2 -0.383 3.577 3.960 0.000 0.000 0.329 474 G HA3 -0.383 3.577 3.960 0.000 0.000 0.329 474 G C 0.383 175.336 174.900 0.089 0.000 1.271 474 G CA 0.662 45.798 45.100 0.060 0.000 1.003 474 G HN 0.653 nan 8.290 nan 0.000 0.549 475 N N 0.021 118.780 118.700 0.098 0.000 2.327 475 N HA 0.285 5.025 4.740 0.000 0.000 0.231 475 N C -0.234 175.373 175.510 0.162 0.000 1.130 475 N CA -0.268 52.844 53.050 0.103 0.000 0.845 475 N CB 0.277 38.808 38.487 0.073 0.000 1.073 475 N HN 0.442 nan 8.380 nan 0.000 0.496 476 Y N 1.223 121.550 120.300 0.044 0.000 2.335 476 Y HA 0.468 5.018 4.550 -0.000 0.000 0.331 476 Y C 0.501 176.459 175.900 0.097 0.000 1.094 476 Y CA -0.128 58.011 58.100 0.065 0.000 1.253 476 Y CB 0.559 39.049 38.460 0.050 0.000 1.203 476 Y HN -0.008 nan 8.280 nan 0.000 0.508 477 G N 3.958 112.607 108.800 -0.252 0.000 2.721 477 G HA2 0.290 4.250 3.960 0.000 0.000 0.296 477 G HA3 0.290 4.250 3.960 0.000 0.000 0.296 477 G C -2.511 172.314 174.900 -0.125 0.000 1.383 477 G CA -0.910 44.090 45.100 -0.168 0.000 0.788 477 G HN 0.554 nan 8.290 nan 0.000 0.500 478 Y N 1.494 121.714 120.300 -0.133 0.000 2.331 478 Y HA 0.602 5.152 4.550 0.000 0.000 0.338 478 Y C -0.234 175.556 175.900 -0.185 0.000 0.992 478 Y CA -1.483 56.491 58.100 -0.210 0.000 1.121 478 Y CB 1.602 39.950 38.460 -0.186 0.000 1.184 478 Y HN 0.446 nan 8.280 nan 0.000 0.469 479 N N 4.936 123.181 118.700 -0.758 0.000 2.527 479 N HA 0.239 4.979 4.740 0.000 0.000 0.236 479 N C 0.277 175.285 175.510 -0.837 0.000 0.999 479 N CA 0.413 53.132 53.050 -0.552 0.000 0.935 479 N CB 1.408 39.687 38.487 -0.346 0.000 1.132 479 N HN 0.887 nan 8.380 nan 0.000 0.511 480 A N 3.911 126.393 122.820 -0.565 0.000 1.972 480 A HA -0.037 4.283 4.320 0.000 0.000 0.219 480 A C 2.064 179.512 177.584 -0.226 0.000 1.169 480 A CA 1.736 53.565 52.037 -0.347 0.000 0.635 480 A CB -0.666 18.305 19.000 -0.049 0.000 0.810 480 A HN 0.736 nan 8.150 nan 0.000 0.446 481 A N -0.309 122.396 122.820 -0.191 0.000 1.858 481 A HA -0.120 4.200 4.320 0.000 0.000 0.216 481 A C 2.430 179.927 177.584 -0.146 0.000 1.190 481 A CA 2.578 54.538 52.037 -0.129 0.000 0.617 481 A CB -1.251 17.689 19.000 -0.100 0.000 0.827 481 A HN 0.833 nan 8.150 nan 0.000 0.443 482 T N -4.216 110.220 114.554 -0.196 0.000 3.065 482 T HA 0.211 4.561 4.350 0.000 0.000 0.252 482 T C 0.465 175.046 174.700 -0.198 0.000 1.099 482 T CA 0.961 62.962 62.100 -0.166 0.000 1.063 482 T CB -0.188 68.593 68.868 -0.146 0.000 0.948 482 T HN 0.566 nan 8.240 nan 0.000 0.506 483 E N 1.148 121.145 120.200 -0.339 0.000 2.868 483 E HA -0.156 4.194 4.350 0.000 0.000 0.278 483 E C -0.211 176.217 176.600 -0.288 0.000 1.009 483 E CA 0.893 57.110 56.400 -0.305 0.000 0.856 483 E CB -1.203 28.456 29.700 -0.069 0.000 1.428 483 E HN 0.967 nan 8.360 nan 0.000 0.423 484 E N -0.970 118.983 120.200 -0.412 0.000 2.416 484 E HA 0.482 4.832 4.350 0.000 0.000 0.273 484 E C -0.625 175.764 176.600 -0.352 0.000 0.935 484 E CA -0.960 55.278 56.400 -0.271 0.000 0.784 484 E CB 0.959 30.623 29.700 -0.060 0.000 1.301 484 E HN 0.037 nan 8.360 nan 0.000 0.454 485 Y N -0.004 120.307 120.300 0.019 0.000 2.295 485 Y HA 0.629 5.179 4.550 -0.000 0.000 0.331 485 Y C 1.124 177.011 175.900 -0.022 0.000 1.311 485 Y CA 0.927 58.991 58.100 -0.061 0.000 1.430 485 Y CB 1.512 39.942 38.460 -0.049 0.000 1.339 485 Y HN 0.863 nan 8.280 nan 0.000 0.552 486 G N 0.242 109.103 108.800 0.102 0.000 2.317 486 G HA2 0.010 3.970 3.960 0.000 0.000 0.293 486 G HA3 0.010 3.970 3.960 0.000 0.000 0.293 486 G C -2.027 172.967 174.900 0.155 0.000 1.287 486 G CA -1.192 44.011 45.100 0.171 0.000 0.850 486 G HN 0.568 nan 8.290 nan 0.000 0.515 487 N N 0.948 119.733 118.700 0.142 0.000 2.408 487 N HA 0.146 4.886 4.740 0.000 0.000 0.257 487 N C 1.682 177.226 175.510 0.057 0.000 1.064 487 N CA -0.555 52.568 53.050 0.122 0.000 0.952 487 N CB 0.875 39.423 38.487 0.103 0.000 1.093 487 N HN 0.391 nan 8.380 nan 0.000 0.490 488 M N 3.445 123.071 119.600 0.043 0.000 2.108 488 M HA -0.158 4.322 4.480 0.000 0.000 0.261 488 M C 1.636 177.944 176.300 0.013 0.000 1.066 488 M CA 1.101 56.408 55.300 0.012 0.000 1.107 488 M CB -0.678 31.928 32.600 0.010 0.000 1.356 488 M HN 0.533 nan 8.290 nan 0.000 0.406 489 I N 0.472 121.056 120.570 0.024 0.000 2.264 489 I HA -0.260 3.910 4.170 0.000 0.000 0.248 489 I C 1.876 178.002 176.117 0.015 0.000 1.111 489 I CA 1.426 62.737 61.300 0.019 0.000 1.382 489 I CB -1.566 36.448 38.000 0.023 0.000 1.060 489 I HN 0.242 nan 8.210 nan 0.000 0.418 490 D N 0.607 121.020 120.400 0.021 0.000 2.149 490 D HA -0.068 4.572 4.640 0.000 0.000 0.201 490 D C 2.129 178.433 176.300 0.008 0.000 0.972 490 D CA 0.990 55.001 54.000 0.018 0.000 0.835 490 D CB -0.021 40.796 40.800 0.028 0.000 0.966 490 D HN 0.348 nan 8.370 nan 0.000 0.476 491 M N -0.923 118.678 119.600 0.001 0.000 2.563 491 M HA 0.241 4.721 4.480 0.000 0.000 0.231 491 M C 1.008 177.298 176.300 -0.017 0.000 1.136 491 M CA 0.338 55.630 55.300 -0.013 0.000 1.026 491 M CB 0.610 33.192 32.600 -0.030 0.000 1.597 491 M HN -0.026 nan 8.290 nan 0.000 0.495 492 G N 2.315 111.110 108.800 -0.008 0.000 2.160 492 G HA2 -0.241 3.719 3.960 0.000 0.000 0.251 492 G HA3 -0.241 3.719 3.960 0.000 0.000 0.251 492 G C 0.029 174.922 174.900 -0.011 0.000 1.008 492 G CA -0.182 44.913 45.100 -0.008 0.000 0.724 492 G HN 0.579 nan 8.290 nan 0.000 0.514 493 I N 1.491 122.052 120.570 -0.014 0.000 2.257 493 I HA 0.312 4.482 4.170 0.000 0.000 0.290 493 I C 0.654 176.768 176.117 -0.005 0.000 1.137 493 I CA -0.333 60.958 61.300 -0.016 0.000 1.255 493 I CB 0.106 38.088 38.000 -0.029 0.000 1.485 493 I HN 0.023 nan 8.210 nan 0.000 0.534 494 L N 4.087 125.310 121.223 0.000 0.000 2.322 494 L HA 0.541 4.881 4.340 0.000 0.000 0.279 494 L C -0.441 176.434 176.870 0.008 0.000 1.036 494 L CA -0.755 54.089 54.840 0.006 0.000 0.807 494 L CB 1.220 43.284 42.059 0.008 0.000 1.226 494 L HN 0.316 nan 8.230 nan 0.000 0.433 495 D N 2.191 122.598 120.400 0.011 0.000 2.252 495 D HA 0.419 5.059 4.640 0.000 0.000 0.245 495 D C -2.514 173.795 176.300 0.016 0.000 1.009 495 D CA -1.498 52.511 54.000 0.014 0.000 0.870 495 D CB 2.147 42.956 40.800 0.015 0.000 1.251 495 D HN 0.189 nan 8.370 nan 0.000 0.460 496 P HA 0.158 nan 4.420 nan 0.000 0.280 496 P C 0.667 177.977 177.300 0.017 0.000 1.244 496 P CA -0.232 62.879 63.100 0.019 0.000 0.784 496 P CB 0.825 32.541 31.700 0.026 0.000 0.913 497 T N 2.218 116.779 114.554 0.012 0.000 2.622 497 T HA -0.228 4.122 4.350 0.000 0.000 0.266 497 T C 1.643 176.345 174.700 0.004 0.000 1.047 497 T CA 1.516 63.620 62.100 0.007 0.000 1.159 497 T CB -0.525 68.345 68.868 0.003 0.000 0.863 497 T HN 0.478 nan 8.240 nan 0.000 0.422 498 K N 0.927 121.331 120.400 0.007 0.000 2.077 498 K HA -0.198 4.122 4.320 0.000 0.000 0.213 498 K C 2.379 178.988 176.600 0.015 0.000 1.051 498 K CA 1.946 58.238 56.287 0.008 0.000 0.929 498 K CB -0.603 31.908 32.500 0.018 0.000 0.715 498 K HN 0.308 nan 8.250 nan 0.000 0.451 499 V N -0.096 119.835 119.914 0.028 0.000 2.270 499 V HA -0.205 3.915 4.120 0.000 0.000 0.245 499 V C 1.787 177.894 176.094 0.022 0.000 1.043 499 V CA 2.546 64.868 62.300 0.037 0.000 1.014 499 V CB -0.924 30.928 31.823 0.050 0.000 0.645 499 V HN 0.460 nan 8.190 nan 0.000 0.447 500 T N 0.573 115.135 114.554 0.013 0.000 2.737 500 T HA -0.203 4.147 4.350 0.000 0.000 0.269 500 T C 2.058 176.750 174.700 -0.013 0.000 1.040 500 T CA 2.076 64.180 62.100 0.006 0.000 1.142 500 T CB -0.458 68.414 68.868 0.006 0.000 0.861 500 T HN 0.518 nan 8.240 nan 0.000 0.456 501 R N 0.852 121.336 120.500 -0.027 0.000 2.070 501 R HA -0.049 4.291 4.340 0.000 0.000 0.233 501 R C 2.615 178.845 176.300 -0.117 0.000 1.137 501 R CA 1.686 57.751 56.100 -0.059 0.000 0.945 501 R CB -0.677 29.590 30.300 -0.055 0.000 0.845 501 R HN 0.294 nan 8.270 nan 0.000 0.430 502 S N 0.745 116.374 115.700 -0.118 0.000 2.348 502 S HA -0.140 4.330 4.470 0.000 0.000 0.221 502 S C 2.066 176.578 174.600 -0.147 0.000 1.033 502 S CA 1.313 59.373 58.200 -0.233 0.000 1.010 502 S CB -0.405 62.780 63.200 -0.025 0.000 0.891 502 S HN 0.564 nan 8.310 nan 0.000 0.442 503 A N 1.908 124.738 122.820 0.016 0.000 1.896 503 A HA -0.178 4.142 4.320 0.000 0.000 0.220 503 A C 2.128 179.719 177.584 0.012 0.000 1.206 503 A CA 1.731 53.805 52.037 0.061 0.000 0.647 503 A CB -1.045 17.985 19.000 0.049 0.000 0.828 503 A HN 0.470 nan 8.150 nan 0.000 0.455 504 L N -0.666 120.537 121.223 -0.034 0.000 2.017 504 L HA -0.250 4.090 4.340 0.000 0.000 0.208 504 L C 2.762 179.591 176.870 -0.070 0.000 1.073 504 L CA 2.402 57.221 54.840 -0.036 0.000 0.745 504 L CB -0.791 41.247 42.059 -0.035 0.000 0.894 504 L HN 0.591 nan 8.230 nan 0.000 0.432 505 Q N -1.216 118.479 119.800 -0.174 0.000 2.084 505 Q HA -0.238 4.102 4.340 0.000 0.000 0.202 505 Q C 2.026 177.958 176.000 -0.113 0.000 0.978 505 Q CA 1.783 57.463 55.803 -0.205 0.000 0.844 505 Q CB -0.264 28.269 28.738 -0.342 0.000 0.898 505 Q HN 0.477 nan 8.270 nan 0.000 0.426 506 Y N 0.278 120.586 120.300 0.013 0.000 2.242 506 Y HA -0.108 4.442 4.550 -0.000 0.000 0.291 506 Y C 2.398 178.305 175.900 0.012 0.000 1.137 506 Y CA 0.695 58.803 58.100 0.013 0.000 1.181 506 Y CB -0.880 37.589 38.460 0.014 0.000 0.989 506 Y HN 0.129 nan 8.280 nan 0.000 0.527 507 A N 0.027 122.943 122.820 0.159 0.000 1.898 507 A HA -0.062 4.258 4.320 0.000 0.000 0.216 507 A C 2.496 180.121 177.584 0.069 0.000 1.181 507 A CA 1.739 53.834 52.037 0.096 0.000 0.620 507 A CB -1.139 17.900 19.000 0.065 0.000 0.819 507 A HN 0.368 nan 8.150 nan 0.000 0.442 508 A N -0.762 122.089 122.820 0.051 0.000 1.902 508 A HA -0.102 4.218 4.320 0.000 0.000 0.217 508 A C 2.481 180.092 177.584 0.045 0.000 1.181 508 A CA 2.164 54.222 52.037 0.034 0.000 0.623 508 A CB -1.007 18.002 19.000 0.014 0.000 0.818 508 A HN 0.559 nan 8.150 nan 0.000 0.443 509 S N -0.744 114.996 115.700 0.067 0.000 2.353 509 S HA -0.143 4.327 4.470 0.000 0.000 0.222 509 S C 1.944 176.582 174.600 0.063 0.000 1.035 509 S CA 1.851 60.095 58.200 0.074 0.000 1.025 509 S CB -0.523 62.748 63.200 0.119 0.000 0.902 509 S HN 0.288 nan 8.310 nan 0.000 0.440 510 V N 2.020 121.976 119.914 0.071 0.000 2.270 510 V HA -0.075 4.045 4.120 0.000 0.000 0.245 510 V C 2.889 179.006 176.094 0.040 0.000 1.043 510 V CA 1.806 64.136 62.300 0.050 0.000 1.014 510 V CB -1.349 30.502 31.823 0.047 0.000 0.645 510 V HN 0.621 nan 8.190 nan 0.000 0.447 511 A N 0.333 123.177 122.820 0.039 0.000 1.978 511 A HA -0.119 4.201 4.320 0.000 0.000 0.220 511 A C 2.379 179.978 177.584 0.026 0.000 1.170 511 A CA 1.971 54.026 52.037 0.030 0.000 0.636 511 A CB -1.278 17.739 19.000 0.028 0.000 0.810 511 A HN 0.556 nan 8.150 nan 0.000 0.448 512 G N 0.094 108.911 108.800 0.028 0.000 2.553 512 G HA2 -0.278 3.682 3.960 0.000 0.000 0.218 512 G HA3 -0.278 3.682 3.960 0.000 0.000 0.218 512 G C 1.563 176.476 174.900 0.023 0.000 1.195 512 G CA 1.214 46.328 45.100 0.024 0.000 0.779 512 G HN 0.444 nan 8.290 nan 0.000 0.577 513 L N -0.518 120.721 121.223 0.026 0.000 2.046 513 L HA -0.046 4.294 4.340 0.000 0.000 0.208 513 L C 2.968 179.851 176.870 0.022 0.000 1.077 513 L CA 1.398 56.252 54.840 0.024 0.000 0.747 513 L CB -0.263 41.811 42.059 0.025 0.000 0.896 513 L HN 0.292 nan 8.230 nan 0.000 0.432 514 M N 0.094 119.707 119.600 0.022 0.000 2.213 514 M HA -0.198 4.282 4.480 0.000 0.000 0.263 514 M C 2.027 178.338 176.300 0.017 0.000 1.062 514 M CA 1.674 56.986 55.300 0.020 0.000 1.105 514 M CB -0.098 32.515 32.600 0.021 0.000 1.385 514 M HN 0.285 nan 8.290 nan 0.000 0.417 515 I N -2.505 118.075 120.570 0.017 0.000 3.176 515 I HA -0.058 4.112 4.170 0.000 0.000 0.275 515 I C 1.515 177.641 176.117 0.014 0.000 1.298 515 I CA 1.175 62.483 61.300 0.014 0.000 1.445 515 I CB -1.105 36.903 38.000 0.013 0.000 1.075 515 I HN 0.248 nan 8.210 nan 0.000 0.482 516 T N -2.733 111.831 114.554 0.017 0.000 3.163 516 T HA 0.169 4.519 4.350 0.000 0.000 0.252 516 T C 0.728 175.440 174.700 0.021 0.000 1.056 516 T CA -0.257 61.854 62.100 0.018 0.000 0.947 516 T CB -0.819 68.061 68.868 0.019 0.000 1.016 516 T HN 0.182 nan 8.240 nan 0.000 0.554 517 T N 2.827 117.393 114.554 0.019 0.000 2.888 517 T HA 0.202 4.552 4.350 0.000 0.000 0.301 517 T C 0.820 175.535 174.700 0.024 0.000 1.001 517 T CA 0.091 62.202 62.100 0.019 0.000 1.147 517 T CB 1.114 69.988 68.868 0.011 0.000 0.931 517 T HN 0.411 nan 8.240 nan 0.000 0.541 518 E N 1.151 121.374 120.200 0.039 0.000 2.541 518 E HA 0.217 4.567 4.350 0.000 0.000 0.219 518 E C -0.174 176.487 176.600 0.102 0.000 0.922 518 E CA -0.200 56.242 56.400 0.070 0.000 1.095 518 E CB 0.506 30.256 29.700 0.083 0.000 1.112 518 E HN 0.618 nan 8.360 nan 0.000 0.516 519 C N 0.231 119.553 119.300 0.036 0.000 3.241 519 C HA 0.721 5.181 4.460 0.000 0.000 0.348 519 C C -1.710 173.216 174.990 -0.106 0.000 1.180 519 C CA -0.703 58.270 59.018 -0.075 0.000 1.273 519 C CB 0.363 28.094 27.740 -0.014 0.000 1.620 519 C HN 0.255 nan 8.230 nan 0.000 0.510 520 M N 4.221 123.721 119.600 -0.167 0.000 2.457 520 M HA 0.639 5.119 4.480 0.000 0.000 0.300 520 M C -1.214 175.129 176.300 0.071 0.000 1.141 520 M CA -0.653 54.650 55.300 0.003 0.000 0.901 520 M CB 2.309 34.962 32.600 0.088 0.000 1.687 520 M HN 0.448 nan 8.290 nan 0.000 0.449 521 V N 1.316 121.278 119.914 0.080 0.000 2.443 521 V HA 0.670 4.790 4.120 0.000 0.000 0.293 521 V C -0.377 175.719 176.094 0.002 0.000 1.021 521 V CA -0.316 62.008 62.300 0.039 0.000 0.848 521 V CB 1.853 33.672 31.823 -0.006 0.000 0.998 521 V HN 0.981 nan 8.190 nan 0.000 0.424 522 T N 2.213 116.723 114.554 -0.073 0.000 2.778 522 T HA 0.473 4.823 4.350 0.000 0.000 0.293 522 T C -1.057 173.531 174.700 -0.186 0.000 1.144 522 T CA -0.499 61.494 62.100 -0.178 0.000 1.010 522 T CB 1.985 70.633 68.868 -0.367 0.000 1.325 522 T HN 0.549 nan 8.240 nan 0.000 0.515 523 D N 0.945 121.239 120.400 -0.175 0.000 2.371 523 D HA 0.367 5.007 4.640 0.000 0.000 0.242 523 D C 0.074 176.283 176.300 -0.151 0.000 1.218 523 D CA -0.029 53.891 54.000 -0.133 0.000 0.945 523 D CB 0.344 41.083 40.800 -0.102 0.000 1.137 523 D HN 0.387 nan 8.370 nan 0.000 0.464 524 L N 1.922 123.087 121.223 -0.097 0.000 2.395 524 L HA 0.283 4.623 4.340 0.000 0.000 0.269 524 L C -1.460 175.361 176.870 -0.081 0.000 1.133 524 L CA -1.551 53.240 54.840 -0.082 0.000 0.812 524 L CB 0.574 42.606 42.059 -0.044 0.000 1.125 524 L HN 0.352 nan 8.230 nan 0.000 0.452 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.065 63.100 -0.059 0.000 0.800 525 P CB 0.000 31.677 31.700 -0.038 0.000 0.726