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_D 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 0.000 177.574 177.584 -0.017 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 3 A N 2.098 124.909 122.820 -0.015 0.000 2.584 3 A HA 0.463 4.783 4.320 0.000 0.000 0.239 3 A C 0.333 177.903 177.584 -0.023 0.000 1.043 3 A CA 0.565 52.594 52.037 -0.013 0.000 0.756 3 A CB -0.178 18.816 19.000 -0.010 0.000 0.963 3 A HN 0.607 nan 8.150 nan 0.000 0.511 4 K N 1.635 122.023 120.400 -0.019 0.000 2.123 4 K HA 0.421 4.741 4.320 0.000 0.000 0.248 4 K C -0.933 175.654 176.600 -0.021 0.000 0.969 4 K CA -0.693 55.576 56.287 -0.030 0.000 0.882 4 K CB 1.360 33.848 32.500 -0.020 0.000 1.080 4 K HN 0.732 nan 8.250 nan 0.000 0.441 5 D N 1.344 121.724 120.400 -0.033 0.000 2.256 5 D HA 0.301 4.941 4.640 0.000 0.000 0.240 5 D C -1.229 175.120 176.300 0.082 0.000 1.062 5 D CA -0.580 53.429 54.000 0.016 0.000 0.832 5 D CB 1.285 42.067 40.800 -0.030 0.000 1.135 5 D HN 0.247 nan 8.370 nan 0.000 0.484 6 V N 1.214 121.155 119.914 0.046 0.000 2.540 6 V HA 0.675 4.795 4.120 0.000 0.000 0.302 6 V C -0.771 175.174 176.094 -0.248 0.000 1.035 6 V CA -0.638 61.609 62.300 -0.089 0.000 0.873 6 V CB 1.730 33.406 31.823 -0.245 0.000 0.992 6 V HN 0.372 nan 8.190 nan 0.000 0.428 7 K N 4.271 124.435 120.400 -0.393 0.000 2.318 7 K HA 0.663 4.983 4.320 0.000 0.000 0.249 7 K C -1.662 174.580 176.600 -0.597 0.000 0.942 7 K CA -0.473 55.520 56.287 -0.490 0.000 0.808 7 K CB 2.512 34.602 32.500 -0.683 0.000 1.189 7 K HN 0.740 nan 8.250 nan 0.000 0.428 8 F N -0.001 119.886 119.950 -0.105 0.000 2.538 8 F HA 0.361 4.888 4.527 0.000 0.000 0.325 8 F C 1.294 177.045 175.800 -0.081 0.000 1.066 8 F CA 0.231 58.187 58.000 -0.074 0.000 0.946 8 F CB 1.879 40.855 39.000 -0.041 0.000 1.199 8 F HN 0.864 nan 8.300 nan 0.000 0.473 9 G N 2.345 111.257 108.800 0.185 0.000 2.651 9 G HA2 -0.513 3.447 3.960 0.000 0.000 0.315 9 G HA3 -0.513 3.447 3.960 0.000 0.000 0.315 9 G C 0.930 175.841 174.900 0.019 0.000 1.258 9 G CA 1.108 46.258 45.100 0.082 0.000 1.002 9 G HN 0.870 nan 8.290 nan 0.000 0.551 10 N N 0.679 119.385 118.700 0.011 0.000 2.149 10 N HA -0.085 4.655 4.740 0.000 0.000 0.188 10 N C 1.732 177.220 175.510 -0.037 0.000 1.019 10 N CA 2.386 55.430 53.050 -0.010 0.000 0.857 10 N CB -0.217 38.267 38.487 -0.006 0.000 0.997 10 N HN 0.543 nan 8.380 nan 0.000 0.426 11 D N 0.337 120.709 120.400 -0.047 0.000 2.092 11 D HA -0.141 4.499 4.640 0.000 0.000 0.193 11 D C 1.995 178.182 176.300 -0.189 0.000 0.994 11 D CA 1.498 55.437 54.000 -0.102 0.000 0.828 11 D CB -0.897 39.838 40.800 -0.109 0.000 0.963 11 D HN 0.448 nan 8.370 nan 0.000 0.450 12 A N 1.053 123.737 122.820 -0.226 0.000 1.884 12 A HA -0.297 4.023 4.320 0.000 0.000 0.219 12 A C 2.201 179.673 177.584 -0.186 0.000 1.197 12 A CA 2.087 53.938 52.037 -0.310 0.000 0.637 12 A CB -0.640 18.225 19.000 -0.225 0.000 0.827 12 A HN 0.142 nan 8.150 nan 0.000 0.450 13 R N -1.116 119.325 120.500 -0.098 0.000 2.075 13 R HA -0.047 4.293 4.340 0.000 0.000 0.232 13 R C 2.130 178.404 176.300 -0.043 0.000 1.126 13 R CA 1.340 57.408 56.100 -0.052 0.000 0.963 13 R CB -0.563 29.720 30.300 -0.028 0.000 0.858 13 R HN 0.404 nan 8.270 nan 0.000 0.435 14 V N 1.946 121.831 119.914 -0.048 0.000 2.287 14 V HA -0.295 3.825 4.120 0.000 0.000 0.248 14 V C 2.252 178.330 176.094 -0.027 0.000 1.053 14 V CA 1.725 64.006 62.300 -0.031 0.000 1.027 14 V CB -0.387 31.418 31.823 -0.029 0.000 0.646 14 V HN 0.282 nan 8.190 nan 0.000 0.447 15 K N -0.469 119.900 120.400 -0.052 0.000 2.032 15 K HA -0.184 4.136 4.320 0.000 0.000 0.209 15 K C 2.130 178.739 176.600 0.014 0.000 1.048 15 K CA 1.792 58.072 56.287 -0.012 0.000 0.927 15 K CB -0.653 31.835 32.500 -0.020 0.000 0.712 15 K HN 0.421 nan 8.250 nan 0.000 0.441 16 M N 0.760 120.355 119.600 -0.007 0.000 2.195 16 M HA -0.191 4.289 4.480 0.000 0.000 0.260 16 M C 2.001 178.313 176.300 0.019 0.000 1.066 16 M CA 1.207 56.519 55.300 0.019 0.000 1.089 16 M CB 0.002 32.605 32.600 0.006 0.000 1.377 16 M HN 0.076 nan 8.290 nan 0.000 0.411 17 L N 0.065 121.293 121.223 0.008 0.000 2.068 17 L HA -0.055 4.285 4.340 0.000 0.000 0.204 17 L C 2.196 179.074 176.870 0.014 0.000 1.076 17 L CA 1.683 56.529 54.840 0.010 0.000 0.753 17 L CB -0.628 41.434 42.059 0.004 0.000 0.910 17 L HN 0.172 nan 8.230 nan 0.000 0.439 18 R N -0.398 120.111 120.500 0.015 0.000 2.139 18 R HA -0.153 4.187 4.340 0.000 0.000 0.243 18 R C 2.115 178.429 176.300 0.023 0.000 1.145 18 R CA 1.217 57.328 56.100 0.019 0.000 0.976 18 R CB -0.919 29.394 30.300 0.022 0.000 0.866 18 R HN 0.600 nan 8.270 nan 0.000 0.449 19 G N 0.477 109.295 108.800 0.030 0.000 2.434 19 G HA2 -0.212 3.748 3.960 0.000 0.000 0.214 19 G HA3 -0.212 3.748 3.960 0.000 0.000 0.214 19 G C 1.474 176.388 174.900 0.023 0.000 1.202 19 G CA 0.824 45.942 45.100 0.031 0.000 0.788 19 G HN 0.125 nan 8.290 nan 0.000 0.539 20 V N 1.719 121.647 119.914 0.022 0.000 2.277 20 V HA -0.351 3.769 4.120 0.000 0.000 0.253 20 V C 2.528 178.631 176.094 0.016 0.000 1.067 20 V CA 2.445 64.756 62.300 0.019 0.000 1.047 20 V CB -0.967 30.867 31.823 0.018 0.000 0.649 20 V HN 0.471 nan 8.190 nan 0.000 0.447 21 N N -0.320 118.389 118.700 0.015 0.000 2.120 21 N HA -0.137 4.603 4.740 0.000 0.000 0.188 21 N C 1.735 177.251 175.510 0.011 0.000 1.024 21 N CA 1.263 54.320 53.050 0.012 0.000 0.852 21 N CB -0.251 38.242 38.487 0.011 0.000 1.003 21 N HN 0.322 nan 8.380 nan 0.000 0.424 22 V N 1.793 121.714 119.914 0.012 0.000 2.255 22 V HA -0.215 3.905 4.120 0.000 0.000 0.247 22 V C 2.246 178.346 176.094 0.009 0.000 1.051 22 V CA 1.292 63.599 62.300 0.010 0.000 1.018 22 V CB -0.638 31.192 31.823 0.011 0.000 0.641 22 V HN 0.370 nan 8.190 nan 0.000 0.445 23 L N 0.961 122.191 121.223 0.011 0.000 1.944 23 L HA -0.195 4.145 4.340 0.000 0.000 0.218 23 L C 2.577 179.452 176.870 0.010 0.000 1.075 23 L CA 3.005 57.851 54.840 0.010 0.000 0.767 23 L CB -1.731 40.335 42.059 0.011 0.000 0.890 23 L HN 0.316 nan 8.230 nan 0.000 0.434 24 A N -0.257 122.570 122.820 0.011 0.000 1.892 24 A HA -0.273 4.047 4.320 0.000 0.000 0.218 24 A C 1.891 179.480 177.584 0.009 0.000 1.188 24 A CA 2.082 54.126 52.037 0.012 0.000 0.631 24 A CB -0.973 18.035 19.000 0.013 0.000 0.822 24 A HN 0.630 nan 8.150 nan 0.000 0.447 25 D N -0.095 120.310 120.400 0.008 0.000 2.182 25 D HA -0.059 4.581 4.640 0.000 0.000 0.201 25 D C 2.044 178.347 176.300 0.005 0.000 0.986 25 D CA 1.459 55.463 54.000 0.007 0.000 0.847 25 D CB -0.352 40.451 40.800 0.006 0.000 0.942 25 D HN 0.495 nan 8.370 nan 0.000 0.467 26 A N 0.168 122.990 122.820 0.004 0.000 1.970 26 A HA -0.022 4.298 4.320 0.000 0.000 0.216 26 A C 2.407 179.993 177.584 0.003 0.000 1.170 26 A CA 0.580 52.618 52.037 0.002 0.000 0.645 26 A CB -0.245 18.756 19.000 0.001 0.000 0.816 26 A HN 0.143 nan 8.150 nan 0.000 0.447 27 V N -0.011 119.906 119.914 0.005 0.000 2.488 27 V HA -0.167 3.953 4.120 0.000 0.000 0.246 27 V C 2.281 178.378 176.094 0.006 0.000 1.046 27 V CA 1.944 64.247 62.300 0.005 0.000 1.053 27 V CB -0.588 31.240 31.823 0.008 0.000 0.679 27 V HN 0.491 nan 8.190 nan 0.000 0.458 28 K N 0.484 120.888 120.400 0.007 0.000 2.286 28 K HA -0.159 4.161 4.320 0.000 0.000 0.203 28 K C 1.875 178.479 176.600 0.006 0.000 1.045 28 K CA 1.641 57.932 56.287 0.008 0.000 0.935 28 K CB -0.282 32.223 32.500 0.008 0.000 0.737 28 K HN 0.597 nan 8.250 nan 0.000 0.460 29 V N -1.435 118.481 119.914 0.004 0.000 3.305 29 V HA -0.079 4.041 4.120 0.000 0.000 0.269 29 V C 1.651 177.747 176.094 0.002 0.000 1.157 29 V CA 1.695 63.997 62.300 0.003 0.000 1.157 29 V CB -0.726 31.098 31.823 0.001 0.000 0.772 29 V HN 0.282 nan 8.190 nan 0.000 0.498 30 T N -2.448 112.107 114.554 0.003 0.000 3.060 30 T HA 0.308 4.658 4.350 0.000 0.000 0.249 30 T C 0.530 175.232 174.700 0.003 0.000 1.079 30 T CA -0.154 61.947 62.100 0.001 0.000 1.013 30 T CB -0.054 68.814 68.868 -0.000 0.000 0.975 30 T HN 0.350 nan 8.240 nan 0.000 0.518 31 L N 2.806 124.032 121.223 0.006 0.000 2.455 31 L HA 0.527 4.867 4.340 0.000 0.000 0.272 31 L C 0.758 177.634 176.870 0.009 0.000 1.174 31 L CA 1.570 56.415 54.840 0.009 0.000 0.869 31 L CB -0.611 41.455 42.059 0.012 0.000 1.130 31 L HN 0.700 nan 8.230 nan 0.000 0.474 32 G N 4.392 113.196 108.800 0.008 0.000 2.707 32 G HA2 -0.138 3.822 3.960 0.000 0.000 0.686 32 G HA3 -0.138 3.822 3.960 0.000 0.000 0.686 32 G C -2.179 172.721 174.900 -0.000 0.000 1.315 32 G CA -0.312 44.792 45.100 0.007 0.000 0.832 32 G HN 0.558 nan 8.290 nan 0.000 0.573 33 P HA 0.022 nan 4.420 nan 0.000 0.223 33 P C 0.905 178.198 177.300 -0.012 0.000 1.151 33 P CA 1.147 64.239 63.100 -0.014 0.000 0.787 33 P CB 0.140 31.823 31.700 -0.027 0.000 0.788 34 K N 0.488 120.885 120.400 -0.005 0.000 2.577 34 K HA 0.244 4.564 4.320 0.000 0.000 0.210 34 K C 1.021 177.622 176.600 0.001 0.000 1.048 34 K CA -0.256 56.029 56.287 -0.002 0.000 1.188 34 K CB 0.283 32.784 32.500 0.003 0.000 0.910 34 K HN 0.060 nan 8.250 nan 0.000 0.483 35 G N 1.274 110.074 108.800 -0.000 0.000 2.491 35 G HA2 0.102 4.062 3.960 0.000 0.000 0.242 35 G HA3 0.102 4.062 3.960 0.000 0.000 0.242 35 G C -0.026 174.873 174.900 -0.002 0.000 1.266 35 G CA -0.357 44.743 45.100 0.000 0.000 0.844 35 G HN 0.215 nan 8.290 nan 0.000 0.571 36 R N 0.631 121.130 120.500 -0.002 0.000 2.843 36 R HA 0.394 4.734 4.340 0.000 0.000 0.232 36 R C -0.429 175.868 176.300 -0.005 0.000 1.305 36 R CA -0.986 55.112 56.100 -0.004 0.000 1.096 36 R CB 0.947 31.245 30.300 -0.003 0.000 1.455 36 R HN 0.480 nan 8.270 nan 0.000 0.520 37 N N -0.403 118.293 118.700 -0.006 0.000 2.471 37 N HA 0.436 5.176 4.740 0.000 0.000 0.288 37 N C -1.040 174.466 175.510 -0.008 0.000 1.220 37 N CA -0.554 52.491 53.050 -0.007 0.000 0.893 37 N CB 1.964 40.446 38.487 -0.008 0.000 1.256 37 N HN 0.112 nan 8.380 nan 0.000 0.534 38 V N 0.755 120.664 119.914 -0.009 0.000 2.628 38 V HA 0.424 4.544 4.120 0.000 0.000 0.306 38 V C -0.115 175.971 176.094 -0.015 0.000 1.045 38 V CA -0.846 61.447 62.300 -0.011 0.000 0.905 38 V CB 2.134 33.952 31.823 -0.009 0.000 0.997 38 V HN 0.297 nan 8.190 nan 0.000 0.436 39 V N 5.409 125.312 119.914 -0.019 0.000 2.394 39 V HA 0.459 4.579 4.120 0.000 0.000 0.282 39 V C -0.275 175.800 176.094 -0.033 0.000 1.031 39 V CA -0.403 61.882 62.300 -0.026 0.000 0.881 39 V CB 1.359 33.165 31.823 -0.028 0.000 0.982 39 V HN 0.612 nan 8.190 nan 0.000 0.451 40 L N 3.834 125.033 121.223 -0.039 0.000 2.318 40 L HA 0.465 4.805 4.340 0.000 0.000 0.277 40 L C -0.002 176.814 176.870 -0.091 0.000 1.008 40 L CA -0.609 54.200 54.840 -0.051 0.000 0.846 40 L CB 1.370 43.410 42.059 -0.032 0.000 1.220 40 L HN 0.529 nan 8.230 nan 0.000 0.423 41 D N 3.549 123.881 120.400 -0.113 0.000 2.443 41 D HA 0.094 4.734 4.640 0.000 0.000 0.234 41 D C -0.408 175.699 176.300 -0.322 0.000 1.172 41 D CA 0.809 54.700 54.000 -0.182 0.000 0.878 41 D CB 0.708 41.414 40.800 -0.157 0.000 1.204 41 D HN 0.370 nan 8.370 nan 0.000 0.453 42 K N 0.951 121.045 120.400 -0.510 0.000 2.690 42 K HA 0.126 4.446 4.320 0.000 0.000 0.264 42 K C 0.852 176.809 176.600 -1.071 0.000 1.040 42 K CA -0.356 55.220 56.287 -1.185 0.000 0.946 42 K CB 1.216 33.210 32.500 -0.843 0.000 1.268 42 K HN 0.349 nan 8.250 nan 0.000 0.473 43 S N 2.959 118.038 115.700 -1.034 0.000 2.359 43 S HA -0.245 4.225 4.470 0.000 0.000 0.222 43 S C 1.544 176.104 174.600 -0.067 0.000 1.038 43 S CA 1.506 59.533 58.200 -0.288 0.000 1.051 43 S CB -0.780 62.429 63.200 0.016 0.000 0.944 43 S HN 0.531 nan 8.310 nan 0.000 0.433 44 F N 2.603 122.550 119.950 -0.006 0.000 2.723 44 F HA -0.213 4.314 4.527 -0.000 0.000 0.281 44 F C 1.940 177.737 175.800 -0.005 0.000 1.277 44 F CA 0.677 58.674 58.000 -0.005 0.000 1.504 44 F CB -2.060 36.936 39.000 -0.006 0.000 0.770 44 F HN 0.566 nan 8.300 nan 0.000 0.552 45 G N -1.192 107.706 108.800 0.163 0.000 3.039 45 G HA2 0.656 4.616 3.960 0.000 0.000 0.159 45 G HA3 0.656 4.616 3.960 0.000 0.000 0.159 45 G C -0.531 174.359 174.900 -0.016 0.000 1.284 45 G CA -0.249 44.889 45.100 0.063 0.000 0.996 45 G HN 0.721 nan 8.290 nan 0.000 0.592 46 A N -0.122 122.689 122.820 -0.014 0.000 2.346 46 A HA 0.666 4.986 4.320 0.000 0.000 0.252 46 A C -1.958 175.589 177.584 -0.062 0.000 1.089 46 A CA -0.635 51.380 52.037 -0.036 0.000 0.797 46 A CB -0.276 18.712 19.000 -0.020 0.000 1.047 46 A HN 0.416 nan 8.150 nan 0.000 0.494 47 P HA 0.291 nan 4.420 nan 0.000 0.274 47 P C -0.313 176.957 177.300 -0.050 0.000 1.264 47 P CA 0.096 63.146 63.100 -0.083 0.000 0.795 47 P CB 0.453 32.110 31.700 -0.072 0.000 1.064 48 T N 0.616 115.143 114.554 -0.045 0.000 2.881 48 T HA 0.568 4.918 4.350 0.000 0.000 0.290 48 T C -0.434 174.254 174.700 -0.021 0.000 1.000 48 T CA -0.238 61.848 62.100 -0.023 0.000 0.978 48 T CB 0.231 69.090 68.868 -0.015 0.000 0.997 48 T HN 0.075 nan 8.240 nan 0.000 0.443 49 I N 2.576 123.137 120.570 -0.015 0.000 2.377 49 I HA 0.610 4.781 4.170 0.000 0.000 0.293 49 I C 0.406 176.517 176.117 -0.010 0.000 0.987 49 I CA -0.144 61.147 61.300 -0.014 0.000 1.185 49 I CB 2.068 40.060 38.000 -0.013 0.000 1.341 49 I HN 0.468 nan 8.210 nan 0.000 0.455 50 T N 4.015 118.563 114.554 -0.010 0.000 2.889 50 T HA 0.308 4.658 4.350 0.000 0.000 0.315 50 T C 0.075 174.770 174.700 -0.008 0.000 1.291 50 T CA -0.612 61.483 62.100 -0.008 0.000 1.028 50 T CB 1.478 70.342 68.868 -0.006 0.000 1.235 50 T HN 0.682 nan 8.240 nan 0.000 0.491 51 K N 1.434 121.829 120.400 -0.008 0.000 2.358 51 K HA 0.219 4.539 4.320 0.000 0.000 0.197 51 K C -0.140 176.456 176.600 -0.007 0.000 1.025 51 K CA -0.019 56.263 56.287 -0.007 0.000 1.104 51 K CB 0.344 32.839 32.500 -0.008 0.000 0.855 51 K HN 0.473 nan 8.250 nan 0.000 0.531 52 D N -0.388 120.007 120.400 -0.009 0.000 2.428 52 D HA 0.165 4.805 4.640 0.000 0.000 0.221 52 D C 1.143 177.438 176.300 -0.008 0.000 1.123 52 D CA -0.195 53.798 54.000 -0.012 0.000 0.869 52 D CB 1.138 41.927 40.800 -0.019 0.000 1.032 52 D HN 0.195 nan 8.370 nan 0.000 0.506 53 G N 2.617 111.415 108.800 -0.005 0.000 2.574 53 G HA2 -0.321 3.639 3.960 0.000 0.000 0.220 53 G HA3 -0.321 3.639 3.960 0.000 0.000 0.220 53 G C 1.543 176.443 174.900 -0.000 0.000 1.173 53 G CA 0.991 46.091 45.100 -0.000 0.000 0.772 53 G HN 0.529 nan 8.290 nan 0.000 0.585 54 V N 0.382 120.294 119.914 -0.003 0.000 2.720 54 V HA -0.121 3.999 4.120 0.000 0.000 0.256 54 V C 2.781 178.873 176.094 -0.002 0.000 1.082 54 V CA 2.748 65.046 62.300 -0.004 0.000 1.101 54 V CB -0.255 31.562 31.823 -0.010 0.000 0.693 54 V HN 0.338 nan 8.190 nan 0.000 0.479 55 S N -0.672 115.027 115.700 -0.002 0.000 2.377 55 S HA -0.076 4.394 4.470 0.000 0.000 0.223 55 S C 1.837 176.440 174.600 0.005 0.000 1.030 55 S CA 1.324 59.526 58.200 0.003 0.000 0.970 55 S CB 0.160 63.361 63.200 0.001 0.000 0.830 55 S HN 0.497 nan 8.310 nan 0.000 0.473 56 V N 2.381 122.296 119.914 0.002 0.000 2.287 56 V HA -0.252 3.868 4.120 0.000 0.000 0.248 56 V C 2.634 178.731 176.094 0.004 0.000 1.053 56 V CA 1.860 64.161 62.300 0.002 0.000 1.027 56 V CB -1.248 30.575 31.823 0.000 0.000 0.646 56 V HN 0.524 nan 8.190 nan 0.000 0.447 57 A N 0.383 123.206 122.820 0.004 0.000 1.841 57 A HA -0.254 4.066 4.320 0.000 0.000 0.216 57 A C 2.269 179.857 177.584 0.007 0.000 1.199 57 A CA 2.002 54.042 52.037 0.005 0.000 0.621 57 A CB -0.664 18.337 19.000 0.003 0.000 0.835 57 A HN 0.518 nan 8.150 nan 0.000 0.445 58 R N -0.127 120.377 120.500 0.007 0.000 2.332 58 R HA -0.138 4.202 4.340 0.000 0.000 0.239 58 R C 1.183 177.495 176.300 0.020 0.000 1.160 58 R CA 1.259 57.365 56.100 0.011 0.000 1.020 58 R CB -0.247 30.061 30.300 0.013 0.000 0.859 58 R HN 0.589 nan 8.270 nan 0.000 0.478 59 E N 0.182 120.393 120.200 0.019 0.000 2.415 59 E HA 0.058 4.408 4.350 0.000 0.000 0.197 59 E C 0.474 177.083 176.600 0.015 0.000 1.007 59 E CA 0.085 56.498 56.400 0.023 0.000 0.890 59 E CB 0.351 30.061 29.700 0.016 0.000 0.891 59 E HN 0.133 nan 8.360 nan 0.000 0.496 60 I N 2.140 122.716 120.570 0.010 0.000 2.556 60 I HA 0.111 4.282 4.170 0.000 0.000 0.284 60 I C 0.414 176.536 176.117 0.009 0.000 1.114 60 I CA 0.238 61.542 61.300 0.008 0.000 1.418 60 I CB 0.080 38.084 38.000 0.007 0.000 1.394 60 I HN -0.009 nan 8.210 nan 0.000 0.552 61 E N 5.884 126.088 120.200 0.008 0.000 2.343 61 E HA 0.452 4.802 4.350 0.000 0.000 0.286 61 E C -1.978 174.624 176.600 0.003 0.000 0.915 61 E CA -0.623 55.781 56.400 0.006 0.000 0.784 61 E CB 1.676 31.380 29.700 0.007 0.000 1.251 61 E HN 0.239 nan 8.360 nan 0.000 0.407 62 L N 3.001 124.225 121.223 0.002 0.000 2.304 62 L HA 0.391 4.731 4.340 0.000 0.000 0.268 62 L C 1.311 178.179 176.870 -0.005 0.000 1.010 62 L CA -0.091 54.750 54.840 0.003 0.000 0.813 62 L CB 1.270 43.335 42.059 0.011 0.000 1.315 62 L HN 0.840 nan 8.230 nan 0.000 0.445 63 E N -0.406 119.792 120.200 -0.004 0.000 2.140 63 E HA -0.082 4.268 4.350 0.000 0.000 0.191 63 E C -0.008 176.579 176.600 -0.022 0.000 0.973 63 E CA 0.096 56.489 56.400 -0.013 0.000 0.829 63 E CB 0.383 30.077 29.700 -0.009 0.000 0.781 63 E HN 0.652 nan 8.360 nan 0.000 0.466 64 D N 0.828 121.224 120.400 -0.006 0.000 2.343 64 D HA -0.033 4.607 4.640 0.000 0.000 0.255 64 D C 0.648 176.931 176.300 -0.028 0.000 1.187 64 D CA -0.003 53.996 54.000 -0.003 0.000 0.875 64 D CB 1.138 41.965 40.800 0.045 0.000 1.136 64 D HN -0.092 nan 8.370 nan 0.000 0.469 65 K N 3.328 123.648 120.400 -0.134 0.000 2.211 65 K HA -0.093 4.227 4.320 0.000 0.000 0.203 65 K C 1.556 178.043 176.600 -0.189 0.000 1.050 65 K CA 0.747 56.903 56.287 -0.218 0.000 0.945 65 K CB -0.114 32.153 32.500 -0.389 0.000 0.732 65 K HN 0.487 nan 8.250 nan 0.000 0.451 66 F N 1.470 121.409 119.950 -0.019 0.000 2.179 66 F HA 0.009 4.536 4.527 0.000 0.000 0.292 66 F C 2.226 178.017 175.800 -0.015 0.000 1.089 66 F CA 0.748 58.735 58.000 -0.022 0.000 1.295 66 F CB -0.408 38.577 39.000 -0.025 0.000 1.041 66 F HN 0.054 nan 8.300 nan 0.000 0.487 67 E N 0.024 120.339 120.200 0.191 0.000 2.085 67 E HA -0.270 4.080 4.350 0.000 0.000 0.194 67 E C 1.834 178.473 176.600 0.065 0.000 0.994 67 E CA 1.352 57.812 56.400 0.101 0.000 0.801 67 E CB -0.440 29.303 29.700 0.073 0.000 0.743 67 E HN 0.275 nan 8.360 nan 0.000 0.453 68 N N 0.834 119.559 118.700 0.043 0.000 2.091 68 N HA -0.202 4.538 4.740 0.000 0.000 0.193 68 N C 1.731 177.258 175.510 0.027 0.000 1.021 68 N CA 1.491 54.552 53.050 0.019 0.000 0.862 68 N CB -0.072 38.409 38.487 -0.009 0.000 1.018 68 N HN 0.101 nan 8.380 nan 0.000 0.429 69 M N -0.775 118.853 119.600 0.047 0.000 2.117 69 M HA -0.040 4.440 4.480 0.000 0.000 0.262 69 M C 2.138 178.466 176.300 0.047 0.000 1.065 69 M CA 1.634 56.964 55.300 0.050 0.000 1.114 69 M CB -0.594 32.057 32.600 0.086 0.000 1.361 69 M HN 0.322 nan 8.290 nan 0.000 0.408 70 G N 0.014 108.849 108.800 0.057 0.000 2.553 70 G HA2 -0.281 3.679 3.960 0.000 0.000 0.218 70 G HA3 -0.281 3.679 3.960 0.000 0.000 0.218 70 G C 1.551 176.469 174.900 0.029 0.000 1.195 70 G CA 1.254 46.379 45.100 0.041 0.000 0.779 70 G HN 0.567 nan 8.290 nan 0.000 0.577 71 A N -0.543 122.294 122.820 0.027 0.000 1.972 71 A HA -0.053 4.267 4.320 0.000 0.000 0.219 71 A C 2.338 179.931 177.584 0.015 0.000 1.169 71 A CA 1.916 53.965 52.037 0.019 0.000 0.635 71 A CB -0.309 18.701 19.000 0.017 0.000 0.810 71 A HN 0.348 nan 8.150 nan 0.000 0.446 72 Q N -1.284 118.525 119.800 0.015 0.000 2.437 72 Q HA 0.027 4.367 4.340 0.000 0.000 0.210 72 Q C 1.818 177.823 176.000 0.009 0.000 0.972 72 Q CA 0.982 56.790 55.803 0.009 0.000 0.903 72 Q CB -0.130 28.612 28.738 0.007 0.000 0.967 72 Q HN 0.789 nan 8.270 nan 0.000 0.486 73 M N -0.920 118.689 119.600 0.014 0.000 2.718 73 M HA -0.075 4.405 4.480 0.000 0.000 0.259 73 M C 2.050 178.357 176.300 0.012 0.000 1.240 73 M CA 0.480 55.788 55.300 0.013 0.000 1.210 73 M CB 0.308 32.919 32.600 0.019 0.000 1.281 73 M HN 0.017 nan 8.290 nan 0.000 0.515 74 V N -0.179 119.744 119.914 0.016 0.000 2.392 74 V HA -0.288 3.832 4.120 0.000 0.000 0.249 74 V C 2.048 178.148 176.094 0.010 0.000 1.059 74 V CA 2.131 64.441 62.300 0.017 0.000 1.051 74 V CB -1.567 30.267 31.823 0.019 0.000 0.658 74 V HN 0.544 nan 8.190 nan 0.000 0.455 75 K N 0.942 121.346 120.400 0.006 0.000 2.362 75 K HA -0.281 4.039 4.320 0.000 0.000 0.202 75 K C 2.046 178.639 176.600 -0.011 0.000 1.045 75 K CA 2.056 58.343 56.287 0.000 0.000 0.936 75 K CB -0.188 32.312 32.500 0.001 0.000 0.747 75 K HN 0.718 nan 8.250 nan 0.000 0.467 76 E N 0.542 120.734 120.200 -0.014 0.000 2.442 76 E HA -0.082 4.268 4.350 0.000 0.000 0.195 76 E C 1.799 178.364 176.600 -0.058 0.000 1.030 76 E CA 0.442 56.820 56.400 -0.037 0.000 0.869 76 E CB 0.295 29.976 29.700 -0.032 0.000 0.857 76 E HN 0.316 nan 8.360 nan 0.000 0.505 77 V N -0.461 119.441 119.914 -0.020 0.000 2.323 77 V HA -0.044 4.076 4.120 0.000 0.000 0.244 77 V C 2.163 178.247 176.094 -0.017 0.000 1.041 77 V CA 1.768 64.068 62.300 0.001 0.000 1.025 77 V CB -0.291 31.568 31.823 0.059 0.000 0.656 77 V HN 0.252 nan 8.190 nan 0.000 0.451 78 A N -0.089 122.727 122.820 -0.006 0.000 1.930 78 A HA -0.139 4.181 4.320 0.000 0.000 0.217 78 A C 2.570 180.138 177.584 -0.028 0.000 1.175 78 A CA 2.229 54.265 52.037 -0.001 0.000 0.627 78 A CB -1.041 17.961 19.000 0.004 0.000 0.815 78 A HN 0.683 nan 8.150 nan 0.000 0.443 79 S N -0.784 114.887 115.700 -0.047 0.000 2.345 79 S HA -0.167 4.303 4.470 0.000 0.000 0.220 79 S C 2.243 176.775 174.600 -0.113 0.000 1.031 79 S CA 1.630 59.792 58.200 -0.062 0.000 0.996 79 S CB -0.289 62.876 63.200 -0.057 0.000 0.882 79 S HN 0.394 nan 8.310 nan 0.000 0.445 80 K N 1.504 121.778 120.400 -0.210 0.000 2.009 80 K HA -0.017 4.303 4.320 0.000 0.000 0.210 80 K C 2.338 178.698 176.600 -0.400 0.000 1.049 80 K CA 1.505 57.535 56.287 -0.427 0.000 0.929 80 K CB -1.323 30.708 32.500 -0.782 0.000 0.714 80 K HN 0.406 nan 8.250 nan 0.000 0.440 81 A N 2.095 124.786 122.820 -0.214 0.000 1.881 81 A HA -0.307 4.013 4.320 0.000 0.000 0.219 81 A C 2.113 179.735 177.584 0.063 0.000 1.215 81 A CA 2.394 54.490 52.037 0.099 0.000 0.648 81 A CB -1.114 17.969 19.000 0.138 0.000 0.832 81 A HN 0.595 nan 8.150 nan 0.000 0.455 82 N N -0.369 118.337 118.700 0.011 0.000 2.132 82 N HA -0.212 4.528 4.740 0.000 0.000 0.191 82 N C 0.852 176.387 175.510 0.041 0.000 1.015 82 N CA 1.880 54.940 53.050 0.017 0.000 0.864 82 N CB -0.295 38.187 38.487 -0.008 0.000 1.006 82 N HN 0.543 nan 8.380 nan 0.000 0.430 83 D N -0.311 120.095 120.400 0.011 0.000 2.289 83 D HA 0.008 4.648 4.640 0.000 0.000 0.207 83 D C 1.473 177.812 176.300 0.066 0.000 0.966 83 D CA 0.564 54.581 54.000 0.027 0.000 0.868 83 D CB 0.141 40.929 40.800 -0.020 0.000 0.943 83 D HN 0.396 nan 8.370 nan 0.000 0.514 84 A N 0.945 123.818 122.820 0.088 0.000 1.944 84 A HA 0.430 4.750 4.320 0.000 0.000 0.209 84 A C 2.139 179.808 177.584 0.141 0.000 1.328 84 A CA 0.985 53.105 52.037 0.137 0.000 0.693 84 A CB -0.459 18.699 19.000 0.264 0.000 0.994 84 A HN 0.162 nan 8.150 nan 0.000 0.485 85 A N -1.640 121.276 122.820 0.159 0.000 1.832 85 A HA 0.386 4.706 4.320 0.000 0.000 0.214 85 A C 2.033 179.724 177.584 0.178 0.000 1.242 85 A CA 2.189 54.311 52.037 0.141 0.000 0.603 85 A CB -0.985 18.092 19.000 0.128 0.000 0.902 85 A HN 1.922 nan 8.150 nan 0.000 0.455 86 G N -2.222 106.670 108.800 0.154 0.000 2.229 86 G HA2 -0.016 3.944 3.960 0.000 0.000 0.189 86 G HA3 -0.016 3.944 3.960 0.000 0.000 0.189 86 G C -0.199 174.696 174.900 -0.007 0.000 1.000 86 G CA 0.599 45.765 45.100 0.110 0.000 0.663 86 G HN 0.851 nan 8.290 nan 0.000 0.493 87 D N -2.292 118.130 120.400 0.036 0.000 2.713 87 D HA 0.546 5.186 4.640 0.000 0.000 0.306 87 D C 1.095 177.418 176.300 0.038 0.000 1.299 87 D CA 1.163 55.174 54.000 0.018 0.000 0.823 87 D CB 0.558 41.372 40.800 0.024 0.000 1.353 87 D HN 1.372 nan 8.370 nan 0.000 0.447 88 G N -0.391 108.428 108.800 0.031 0.000 2.184 88 G HA2 -0.331 3.629 3.960 0.000 0.000 0.264 88 G HA3 -0.331 3.629 3.960 0.000 0.000 0.264 88 G C 0.972 175.898 174.900 0.044 0.000 0.975 88 G CA 1.857 46.981 45.100 0.040 0.000 0.642 88 G HN 0.771 nan 8.290 nan 0.000 0.536 89 T N -1.938 112.636 114.554 0.033 0.000 2.777 89 T HA -0.091 4.259 4.350 0.000 0.000 0.266 89 T C 2.272 176.987 174.700 0.026 0.000 1.040 89 T CA 2.417 64.535 62.100 0.029 0.000 1.141 89 T CB -0.726 68.149 68.868 0.012 0.000 0.868 89 T HN 0.360 nan 8.240 nan 0.000 0.444 90 T N 1.928 116.493 114.554 0.019 0.000 2.674 90 T HA -0.117 4.233 4.350 0.000 0.000 0.265 90 T C 2.285 176.999 174.700 0.023 0.000 1.039 90 T CA 1.818 63.928 62.100 0.018 0.000 1.150 90 T CB -1.129 67.746 68.868 0.013 0.000 0.864 90 T HN 0.441 nan 8.240 nan 0.000 0.427 91 T N 2.002 116.572 114.554 0.026 0.000 2.624 91 T HA -0.190 4.160 4.350 0.000 0.000 0.268 91 T C 2.337 177.058 174.700 0.035 0.000 1.041 91 T CA 1.594 63.711 62.100 0.028 0.000 1.159 91 T CB -0.762 68.123 68.868 0.029 0.000 0.863 91 T HN 0.462 nan 8.240 nan 0.000 0.434 92 A N 0.759 123.607 122.820 0.047 0.000 1.903 92 A HA -0.215 4.105 4.320 0.000 0.000 0.219 92 A C 2.573 180.188 177.584 0.051 0.000 1.191 92 A CA 2.604 54.680 52.037 0.064 0.000 0.638 92 A CB -1.413 17.642 19.000 0.093 0.000 0.823 92 A HN 0.509 nan 8.150 nan 0.000 0.451 93 T N -0.430 114.148 114.554 0.040 0.000 2.746 93 T HA -0.103 4.247 4.350 0.000 0.000 0.267 93 T C 1.855 176.571 174.700 0.027 0.000 1.039 93 T CA 1.609 63.728 62.100 0.031 0.000 1.142 93 T CB -0.402 68.480 68.868 0.023 0.000 0.866 93 T HN 0.205 nan 8.240 nan 0.000 0.444 94 V N 1.200 121.129 119.914 0.025 0.000 2.515 94 V HA -0.063 4.057 4.120 0.000 0.000 0.250 94 V C 2.343 178.450 176.094 0.022 0.000 1.058 94 V CA 1.290 63.603 62.300 0.021 0.000 1.064 94 V CB -0.634 31.201 31.823 0.020 0.000 0.675 94 V HN 0.422 nan 8.190 nan 0.000 0.461 95 L N -0.053 121.186 121.223 0.027 0.000 2.179 95 L HA 0.015 4.355 4.340 0.000 0.000 0.208 95 L C 2.690 179.576 176.870 0.027 0.000 1.096 95 L CA 1.135 55.990 54.840 0.025 0.000 0.779 95 L CB -0.608 41.468 42.059 0.028 0.000 0.922 95 L HN 0.323 nan 8.230 nan 0.000 0.443 96 A N 0.411 123.250 122.820 0.032 0.000 1.933 96 A HA -0.270 4.050 4.320 0.000 0.000 0.218 96 A C 2.177 179.776 177.584 0.025 0.000 1.175 96 A CA 1.871 53.928 52.037 0.033 0.000 0.628 96 A CB -0.501 18.522 19.000 0.038 0.000 0.814 96 A HN 0.554 nan 8.150 nan 0.000 0.444 97 Q N -0.677 119.136 119.800 0.022 0.000 2.435 97 Q HA 0.314 4.654 4.340 0.000 0.000 0.207 97 Q C 1.555 177.565 176.000 0.016 0.000 0.956 97 Q CA 1.429 57.242 55.803 0.018 0.000 0.917 97 Q CB -0.258 28.490 28.738 0.017 0.000 0.997 97 Q HN 0.459 nan 8.270 nan 0.000 0.497 98 A N 0.833 123.663 122.820 0.017 0.000 1.887 98 A HA 0.118 4.438 4.320 0.000 0.000 0.210 98 A C 2.025 179.617 177.584 0.013 0.000 1.221 98 A CA 0.696 52.741 52.037 0.014 0.000 0.635 98 A CB -0.477 18.532 19.000 0.015 0.000 0.881 98 A HN 0.382 nan 8.150 nan 0.000 0.456 99 I N 0.146 120.725 120.570 0.015 0.000 2.185 99 I HA -0.328 3.842 4.170 0.000 0.000 0.246 99 I C 2.343 178.468 176.117 0.014 0.000 1.088 99 I CA 1.606 62.915 61.300 0.015 0.000 1.347 99 I CB -0.422 37.589 38.000 0.018 0.000 1.041 99 I HN 0.317 nan 8.210 nan 0.000 0.415 100 I N 0.213 120.792 120.570 0.015 0.000 2.202 100 I HA -0.259 3.911 4.170 0.000 0.000 0.242 100 I C 2.589 178.712 176.117 0.011 0.000 1.091 100 I CA 1.654 62.963 61.300 0.014 0.000 1.368 100 I CB -0.505 37.504 38.000 0.015 0.000 1.058 100 I HN 0.240 nan 8.210 nan 0.000 0.410 101 T N -0.054 114.507 114.554 0.010 0.000 2.720 101 T HA -0.189 4.161 4.350 0.000 0.000 0.268 101 T C 1.837 176.541 174.700 0.007 0.000 1.037 101 T CA 1.300 63.404 62.100 0.008 0.000 1.144 101 T CB -0.158 68.715 68.868 0.008 0.000 0.864 101 T HN 0.216 nan 8.240 nan 0.000 0.444 102 E N 0.538 120.742 120.200 0.008 0.000 2.076 102 E HA 0.082 4.432 4.350 0.000 0.000 0.190 102 E C 2.461 179.065 176.600 0.006 0.000 0.979 102 E CA 0.868 57.272 56.400 0.007 0.000 0.807 102 E CB -0.945 28.759 29.700 0.007 0.000 0.761 102 E HN 0.496 nan 8.360 nan 0.000 0.454 103 G N 1.671 110.476 108.800 0.008 0.000 2.587 103 G HA2 -0.272 3.688 3.960 0.000 0.000 0.217 103 G HA3 -0.272 3.688 3.960 0.000 0.000 0.217 103 G C 1.651 176.555 174.900 0.006 0.000 1.240 103 G CA 1.218 46.323 45.100 0.008 0.000 0.794 103 G HN 0.280 nan 8.290 nan 0.000 0.580 104 L N 0.393 121.619 121.223 0.006 0.000 2.189 104 L HA -0.133 4.207 4.340 0.000 0.000 0.214 104 L C 2.779 179.651 176.870 0.003 0.000 1.097 104 L CA 1.590 56.432 54.840 0.004 0.000 0.764 104 L CB -0.379 41.681 42.059 0.003 0.000 0.900 104 L HN 0.249 nan 8.230 nan 0.000 0.436 105 K N 0.371 120.773 120.400 0.003 0.000 2.097 105 K HA -0.135 4.185 4.320 0.000 0.000 0.205 105 K C 2.177 178.778 176.600 0.002 0.000 1.050 105 K CA 1.148 57.437 56.287 0.002 0.000 0.938 105 K CB 0.004 32.505 32.500 0.003 0.000 0.718 105 K HN 0.302 nan 8.250 nan 0.000 0.442 106 A N 0.503 123.325 122.820 0.003 0.000 1.897 106 A HA -0.054 4.266 4.320 0.000 0.000 0.215 106 A C 2.148 179.734 177.584 0.003 0.000 1.181 106 A CA 1.045 53.084 52.037 0.003 0.000 0.620 106 A CB -0.453 18.549 19.000 0.004 0.000 0.821 106 A HN 0.132 nan 8.150 nan 0.000 0.443 107 V N 0.003 119.920 119.914 0.003 0.000 2.392 107 V HA -0.263 3.857 4.120 0.000 0.000 0.249 107 V C 2.822 178.917 176.094 0.002 0.000 1.059 107 V CA 1.925 64.227 62.300 0.004 0.000 1.051 107 V CB -1.013 30.812 31.823 0.005 0.000 0.658 107 V HN 0.590 nan 8.190 nan 0.000 0.455 108 A N -0.623 122.198 122.820 0.001 0.000 2.238 108 A HA 0.357 4.677 4.320 0.000 0.000 0.208 108 A C 2.029 179.613 177.584 -0.000 0.000 1.177 108 A CA 0.972 53.009 52.037 0.000 0.000 0.804 108 A CB -0.306 18.693 19.000 -0.001 0.000 0.823 108 A HN 0.535 nan 8.150 nan 0.000 0.482 109 A N -1.668 121.152 122.820 0.000 0.000 2.307 109 A HA 0.445 4.765 4.320 0.000 0.000 0.218 109 A C 1.725 179.309 177.584 -0.000 0.000 1.228 109 A CA 1.015 53.051 52.037 -0.000 0.000 0.857 109 A CB -0.790 18.210 19.000 0.000 0.000 0.897 109 A HN 1.665 nan 8.150 nan 0.000 0.495 110 G N -1.494 107.306 108.800 -0.000 0.000 2.225 110 G HA2 -0.310 3.650 3.960 0.000 0.000 0.254 110 G HA3 -0.310 3.650 3.960 0.000 0.000 0.254 110 G C 0.321 175.221 174.900 0.000 0.000 0.988 110 G CA 0.472 45.572 45.100 -0.001 0.000 0.625 110 G HN 0.406 nan 8.290 nan 0.000 0.527 111 M N 1.017 120.618 119.600 0.001 0.000 2.216 111 M HA 0.180 4.660 4.480 0.000 0.000 0.328 111 M C 0.760 177.062 176.300 0.003 0.000 1.062 111 M CA 0.553 55.855 55.300 0.002 0.000 1.012 111 M CB 0.188 32.789 32.600 0.003 0.000 1.622 111 M HN 0.437 nan 8.290 nan 0.000 0.448 112 N N 3.640 122.342 118.700 0.003 0.000 2.420 112 N HA 0.309 5.049 4.740 0.000 0.000 0.249 112 N C -2.372 173.142 175.510 0.006 0.000 1.033 112 N CA -1.827 51.226 53.050 0.004 0.000 0.944 112 N CB 1.039 39.528 38.487 0.003 0.000 1.113 112 N HN 0.201 nan 8.380 nan 0.000 0.502 113 P HA -0.143 nan 4.420 nan 0.000 0.215 113 P C 1.396 178.702 177.300 0.010 0.000 1.153 113 P CA 0.912 64.017 63.100 0.009 0.000 0.853 113 P CB 0.116 31.823 31.700 0.011 0.000 0.788 114 M N -0.551 119.055 119.600 0.010 0.000 2.346 114 M HA -0.145 4.335 4.480 0.000 0.000 0.263 114 M C 1.037 177.343 176.300 0.009 0.000 1.064 114 M CA 1.543 56.849 55.300 0.011 0.000 1.083 114 M CB -1.484 31.122 32.600 0.010 0.000 1.399 114 M HN -0.132 nan 8.290 nan 0.000 0.435 115 D N -1.093 119.311 120.400 0.008 0.000 2.262 115 D HA 0.065 4.705 4.640 0.000 0.000 0.212 115 D C 2.090 178.394 176.300 0.007 0.000 0.964 115 D CA 0.658 54.661 54.000 0.006 0.000 0.875 115 D CB 0.031 40.834 40.800 0.005 0.000 0.996 115 D HN 0.310 nan 8.370 nan 0.000 0.497 116 L N 0.875 122.102 121.223 0.007 0.000 2.083 116 L HA -0.152 4.188 4.340 0.000 0.000 0.209 116 L C 2.462 179.337 176.870 0.009 0.000 1.083 116 L CA 1.011 55.855 54.840 0.007 0.000 0.752 116 L CB -0.258 41.805 42.059 0.007 0.000 0.899 116 L HN -0.014 nan 8.230 nan 0.000 0.433 117 K N 0.489 120.895 120.400 0.010 0.000 1.987 117 K HA -0.223 4.097 4.320 0.000 0.000 0.216 117 K C 2.284 178.890 176.600 0.010 0.000 1.051 117 K CA 1.655 57.948 56.287 0.011 0.000 0.942 117 K CB -0.077 32.431 32.500 0.013 0.000 0.722 117 K HN 0.166 nan 8.250 nan 0.000 0.444 118 R N -0.403 120.102 120.500 0.009 0.000 2.139 118 R HA -0.146 4.194 4.340 0.000 0.000 0.243 118 R C 2.396 178.699 176.300 0.006 0.000 1.145 118 R CA 1.349 57.454 56.100 0.007 0.000 0.976 118 R CB -0.556 29.748 30.300 0.006 0.000 0.866 118 R HN 0.453 nan 8.270 nan 0.000 0.449 119 G N 1.419 110.222 108.800 0.006 0.000 2.434 119 G HA2 -0.226 3.734 3.960 0.000 0.000 0.214 119 G HA3 -0.226 3.734 3.960 0.000 0.000 0.214 119 G C 1.466 176.369 174.900 0.005 0.000 1.202 119 G CA 0.491 45.593 45.100 0.005 0.000 0.788 119 G HN 0.136 nan 8.290 nan 0.000 0.539 120 I N 1.333 121.906 120.570 0.006 0.000 2.145 120 I HA -0.244 3.926 4.170 0.000 0.000 0.244 120 I C 2.378 178.498 176.117 0.005 0.000 1.075 120 I CA 1.778 63.082 61.300 0.007 0.000 1.332 120 I CB -0.093 37.912 38.000 0.010 0.000 1.033 120 I HN 0.121 nan 8.210 nan 0.000 0.410 121 D N 0.215 120.618 120.400 0.006 0.000 2.117 121 D HA -0.203 4.437 4.640 0.000 0.000 0.198 121 D C 2.057 178.358 176.300 0.001 0.000 0.982 121 D CA 1.097 55.100 54.000 0.004 0.000 0.828 121 D CB -0.293 40.511 40.800 0.007 0.000 0.967 121 D HN 0.358 nan 8.370 nan 0.000 0.464 122 K N 1.091 121.492 120.400 0.002 0.000 2.097 122 K HA -0.118 4.202 4.320 0.000 0.000 0.206 122 K C 2.030 178.629 176.600 -0.001 0.000 1.049 122 K CA 1.288 57.575 56.287 0.000 0.000 0.933 122 K CB -0.001 32.500 32.500 0.001 0.000 0.717 122 K HN 0.005 nan 8.250 nan 0.000 0.442 123 A N 0.820 123.640 122.820 -0.000 0.000 1.845 123 A HA -0.127 4.193 4.320 0.000 0.000 0.215 123 A C 2.266 179.849 177.584 -0.003 0.000 1.195 123 A CA 1.792 53.829 52.037 -0.000 0.000 0.616 123 A CB -0.908 18.093 19.000 0.002 0.000 0.832 123 A HN 0.166 nan 8.150 nan 0.000 0.443 124 V N 0.327 120.238 119.914 -0.005 0.000 2.317 124 V HA -0.300 3.820 4.120 0.000 0.000 0.251 124 V C 2.744 178.829 176.094 -0.015 0.000 1.065 124 V CA 2.595 64.888 62.300 -0.011 0.000 1.049 124 V CB -1.392 30.423 31.823 -0.014 0.000 0.651 124 V HN 0.678 nan 8.190 nan 0.000 0.450 125 T N 0.060 114.607 114.554 -0.012 0.000 2.803 125 T HA -0.153 4.197 4.350 0.000 0.000 0.269 125 T C 1.948 176.641 174.700 -0.011 0.000 1.052 125 T CA 1.515 63.608 62.100 -0.013 0.000 1.136 125 T CB -0.347 68.516 68.868 -0.009 0.000 0.864 125 T HN 0.609 nan 8.240 nan 0.000 0.467 126 A N 1.248 124.063 122.820 -0.008 0.000 1.898 126 A HA 0.436 4.756 4.320 0.000 0.000 0.214 126 A C 2.658 180.239 177.584 -0.006 0.000 1.183 126 A CA 1.269 53.303 52.037 -0.006 0.000 0.622 126 A CB -0.997 18.001 19.000 -0.003 0.000 0.824 126 A HN 0.475 nan 8.150 nan 0.000 0.444 127 A N -0.290 122.526 122.820 -0.007 0.000 1.933 127 A HA -0.023 4.297 4.320 0.000 0.000 0.218 127 A C 2.185 179.762 177.584 -0.011 0.000 1.175 127 A CA 1.832 53.865 52.037 -0.007 0.000 0.628 127 A CB -0.900 18.096 19.000 -0.007 0.000 0.814 127 A HN 0.375 nan 8.150 nan 0.000 0.444 128 V N -0.028 119.875 119.914 -0.018 0.000 2.343 128 V HA -0.207 3.913 4.120 0.000 0.000 0.247 128 V C 2.578 178.662 176.094 -0.016 0.000 1.051 128 V CA 2.146 64.432 62.300 -0.023 0.000 1.036 128 V CB -0.748 31.055 31.823 -0.034 0.000 0.654 128 V HN 0.469 nan 8.190 nan 0.000 0.451 129 E N -0.028 120.165 120.200 -0.012 0.000 2.130 129 E HA -0.198 4.152 4.350 0.000 0.000 0.196 129 E C 2.305 178.902 176.600 -0.005 0.000 0.998 129 E CA 1.116 57.512 56.400 -0.008 0.000 0.806 129 E CB -0.215 29.482 29.700 -0.006 0.000 0.738 129 E HN 0.538 nan 8.360 nan 0.000 0.459 130 E N -0.082 120.116 120.200 -0.004 0.000 2.051 130 E HA -0.041 4.309 4.350 0.000 0.000 0.189 130 E C 2.370 178.971 176.600 0.001 0.000 0.979 130 E CA 0.249 56.649 56.400 -0.000 0.000 0.803 130 E CB -0.229 29.471 29.700 0.001 0.000 0.761 130 E HN 0.286 nan 8.360 nan 0.000 0.451 131 L N 0.872 122.094 121.223 -0.001 0.000 2.081 131 L HA -0.235 4.105 4.340 0.000 0.000 0.212 131 L C 2.276 179.145 176.870 -0.001 0.000 1.080 131 L CA 1.141 55.981 54.840 -0.001 0.000 0.754 131 L CB -0.385 41.671 42.059 -0.005 0.000 0.893 131 L HN -0.018 nan 8.230 nan 0.000 0.433 132 K N 0.004 120.402 120.400 -0.004 0.000 2.280 132 K HA -0.087 4.233 4.320 0.000 0.000 0.202 132 K C 2.012 178.612 176.600 0.000 0.000 1.047 132 K CA 1.251 57.536 56.287 -0.003 0.000 0.942 132 K CB -0.505 31.993 32.500 -0.004 0.000 0.739 132 K HN 0.328 nan 8.250 nan 0.000 0.457 133 A N -0.132 122.689 122.820 0.002 0.000 1.855 133 A HA -0.032 4.288 4.320 0.000 0.000 0.213 133 A C 2.007 179.594 177.584 0.006 0.000 1.195 133 A CA 0.826 52.865 52.037 0.003 0.000 0.610 133 A CB -0.528 18.474 19.000 0.003 0.000 0.837 133 A HN 0.163 nan 8.150 nan 0.000 0.444 134 L N 0.619 121.847 121.223 0.007 0.000 2.131 134 L HA -0.038 4.302 4.340 0.000 0.000 0.210 134 L C 1.767 178.643 176.870 0.010 0.000 1.092 134 L CA 1.445 56.292 54.840 0.011 0.000 0.759 134 L CB -0.484 41.583 42.059 0.012 0.000 0.903 134 L HN 0.412 nan 8.230 nan 0.000 0.435 135 S N -0.273 115.432 115.700 0.008 0.000 2.549 135 S HA 0.321 4.791 4.470 0.000 0.000 0.286 135 S C -0.215 174.389 174.600 0.008 0.000 1.314 135 S CA -0.475 57.730 58.200 0.008 0.000 1.062 135 S CB 0.420 63.624 63.200 0.006 0.000 0.865 135 S HN 0.143 nan 8.310 nan 0.000 0.498 136 V N 2.278 122.197 119.914 0.009 0.000 2.715 136 V HA 0.713 4.833 4.120 0.000 0.000 0.310 136 V C -2.725 173.374 176.094 0.007 0.000 1.054 136 V CA -2.758 59.547 62.300 0.008 0.000 0.928 136 V CB 0.774 32.603 31.823 0.010 0.000 1.007 136 V HN 0.704 nan 8.190 nan 0.000 0.437 137 P HA 0.186 nan 4.420 nan 0.000 0.270 137 P C -0.611 176.693 177.300 0.006 0.000 1.221 137 P CA -0.004 63.099 63.100 0.006 0.000 0.788 137 P CB 0.321 32.023 31.700 0.005 0.000 0.904 138 C N 1.596 120.900 119.300 0.006 0.000 2.781 138 C HA 0.564 5.024 4.460 0.000 0.000 0.348 138 C C 0.934 175.928 174.990 0.006 0.000 1.051 138 C CA 0.547 59.570 59.018 0.007 0.000 1.347 138 C CB -0.646 27.099 27.740 0.008 0.000 1.846 138 C HN 0.683 nan 8.230 nan 0.000 0.473 139 S N 2.210 117.913 115.700 0.005 0.000 2.727 139 S HA 0.200 4.670 4.470 0.000 0.000 0.249 139 S C 0.044 174.646 174.600 0.004 0.000 1.079 139 S CA 0.326 58.528 58.200 0.004 0.000 0.912 139 S CB -0.334 62.867 63.200 0.003 0.000 0.861 139 S HN 0.890 nan 8.310 nan 0.000 0.484 140 D N 2.261 122.663 120.400 0.004 0.000 2.382 140 D HA 0.266 4.906 4.640 0.000 0.000 0.245 140 D C 0.712 177.015 176.300 0.004 0.000 1.120 140 D CA 0.015 54.017 54.000 0.004 0.000 0.890 140 D CB 1.258 42.060 40.800 0.004 0.000 1.201 140 D HN 0.089 nan 8.370 nan 0.000 0.433 141 S N 1.495 117.198 115.700 0.004 0.000 2.400 141 S HA -0.283 4.187 4.470 0.000 0.000 0.234 141 S C 1.615 176.217 174.600 0.004 0.000 1.049 141 S CA 1.910 60.113 58.200 0.004 0.000 1.039 141 S CB -0.295 62.907 63.200 0.003 0.000 0.856 141 S HN 0.738 nan 8.310 nan 0.000 0.465 142 K N 1.186 121.588 120.400 0.004 0.000 2.026 142 K HA -0.037 4.283 4.320 0.000 0.000 0.208 142 K C 2.179 178.781 176.600 0.004 0.000 1.048 142 K CA 1.294 57.583 56.287 0.003 0.000 0.929 142 K CB -0.404 32.098 32.500 0.003 0.000 0.713 142 K HN 0.280 nan 8.250 nan 0.000 0.439 143 A N 1.167 123.990 122.820 0.005 0.000 1.930 143 A HA -0.080 4.240 4.320 0.000 0.000 0.217 143 A C 2.115 179.703 177.584 0.007 0.000 1.175 143 A CA 1.289 53.330 52.037 0.006 0.000 0.627 143 A CB -0.527 18.477 19.000 0.007 0.000 0.815 143 A HN 0.383 nan 8.150 nan 0.000 0.443 144 I N -0.247 120.327 120.570 0.007 0.000 2.142 144 I HA -0.305 3.865 4.170 0.000 0.000 0.240 144 I C 2.965 179.088 176.117 0.009 0.000 1.078 144 I CA 1.153 62.459 61.300 0.009 0.000 1.343 144 I CB -0.272 37.733 38.000 0.009 0.000 1.046 144 I HN 0.363 nan 8.210 nan 0.000 0.405 145 A N -0.227 122.597 122.820 0.007 0.000 1.978 145 A HA -0.283 4.037 4.320 0.000 0.000 0.220 145 A C 2.187 179.774 177.584 0.005 0.000 1.170 145 A CA 1.684 53.725 52.037 0.006 0.000 0.636 145 A CB -0.565 18.438 19.000 0.004 0.000 0.810 145 A HN 0.493 nan 8.150 nan 0.000 0.448 146 Q N -0.573 119.229 119.800 0.004 0.000 2.016 146 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 146 Q C 2.335 178.338 176.000 0.005 0.000 0.978 146 Q CA 2.120 57.924 55.803 0.002 0.000 0.833 146 Q CB -0.501 28.238 28.738 0.002 0.000 0.895 146 Q HN 0.748 nan 8.270 nan 0.000 0.427 147 V N -1.585 118.335 119.914 0.009 0.000 2.255 147 V HA -0.151 3.969 4.120 0.000 0.000 0.247 147 V C 2.033 178.135 176.094 0.013 0.000 1.051 147 V CA 2.199 64.506 62.300 0.012 0.000 1.018 147 V CB -1.782 30.051 31.823 0.016 0.000 0.641 147 V HN 0.413 nan 8.190 nan 0.000 0.445 148 G N 0.097 108.906 108.800 0.015 0.000 2.679 148 G HA2 -0.385 3.575 3.960 0.000 0.000 0.222 148 G HA3 -0.385 3.575 3.960 0.000 0.000 0.222 148 G C 1.592 176.497 174.900 0.009 0.000 1.164 148 G CA 2.337 47.447 45.100 0.016 0.000 0.769 148 G HN 0.549 nan 8.290 nan 0.000 0.610 149 T N 0.905 115.462 114.554 0.005 0.000 2.708 149 T HA -0.080 4.270 4.350 0.000 0.000 0.266 149 T C 2.426 177.124 174.700 -0.002 0.000 1.037 149 T CA 1.319 63.419 62.100 -0.000 0.000 1.146 149 T CB -0.171 68.695 68.868 -0.003 0.000 0.865 149 T HN 0.179 nan 8.240 nan 0.000 0.435 150 I N 0.822 121.391 120.570 -0.002 0.000 2.394 150 I HA -0.082 4.088 4.170 0.000 0.000 0.251 150 I C 2.614 178.730 176.117 -0.002 0.000 1.136 150 I CA 0.790 62.087 61.300 -0.005 0.000 1.425 150 I CB -0.380 37.618 38.000 -0.004 0.000 1.079 150 I HN 0.162 nan 8.210 nan 0.000 0.425 151 S N 0.418 116.120 115.700 0.003 0.000 2.382 151 S HA -0.018 4.452 4.470 0.000 0.000 0.228 151 S C 1.732 176.331 174.600 -0.001 0.000 1.027 151 S CA 0.995 59.197 58.200 0.004 0.000 0.991 151 S CB -0.220 62.987 63.200 0.012 0.000 0.823 151 S HN 0.385 nan 8.310 nan 0.000 0.469 152 A N 1.433 124.253 122.820 -0.001 0.000 3.105 152 A HA 0.385 4.705 4.320 0.000 0.000 0.272 152 A C 0.490 178.070 177.584 -0.006 0.000 1.466 152 A CA -0.253 51.782 52.037 -0.004 0.000 1.101 152 A CB -1.429 17.570 19.000 -0.001 0.000 1.065 152 A HN 0.742 nan 8.150 nan 0.000 0.643 153 N N 0.642 119.338 118.700 -0.007 0.000 2.699 153 N HA -0.224 4.516 4.740 0.000 0.000 0.256 153 N C -0.101 175.402 175.510 -0.012 0.000 0.993 153 N CA 0.534 53.579 53.050 -0.010 0.000 0.759 153 N CB -0.668 37.814 38.487 -0.009 0.000 0.906 153 N HN 0.520 nan 8.380 nan 0.000 0.541 154 S N -0.300 115.392 115.700 -0.013 0.000 3.812 154 S HA -0.197 4.273 4.470 0.000 0.000 0.341 154 S C -0.682 173.910 174.600 -0.013 0.000 1.057 154 S CA 0.961 59.151 58.200 -0.016 0.000 1.015 154 S CB -0.668 62.519 63.200 -0.022 0.000 0.893 154 S HN 0.707 nan 8.310 nan 0.000 0.476 155 D N 0.784 121.178 120.400 -0.009 0.000 2.464 155 D HA 0.304 4.944 4.640 0.000 0.000 0.243 155 D C 1.059 177.356 176.300 -0.005 0.000 1.104 155 D CA -0.566 53.429 54.000 -0.007 0.000 0.883 155 D CB 0.622 41.419 40.800 -0.006 0.000 1.050 155 D HN 0.371 nan 8.370 nan 0.000 0.524 156 E N 1.075 121.271 120.200 -0.006 0.000 2.171 156 E HA -0.157 4.193 4.350 0.000 0.000 0.197 156 E C 1.200 177.799 176.600 -0.002 0.000 0.997 156 E CA 1.358 57.755 56.400 -0.005 0.000 0.810 156 E CB 0.287 29.983 29.700 -0.006 0.000 0.738 156 E HN 0.519 nan 8.360 nan 0.000 0.467 157 T N 0.520 115.073 114.554 -0.002 0.000 2.867 157 T HA -0.097 4.253 4.350 0.000 0.000 0.268 157 T C 2.133 176.834 174.700 0.002 0.000 1.057 157 T CA 0.968 63.068 62.100 0.000 0.000 1.136 157 T CB -0.134 68.734 68.868 -0.000 0.000 0.874 157 T HN 0.002 nan 8.240 nan 0.000 0.466 158 V N 1.579 121.494 119.914 0.003 0.000 2.379 158 V HA -0.006 4.114 4.120 0.000 0.000 0.245 158 V C 2.903 179.002 176.094 0.008 0.000 1.044 158 V CA 1.723 64.026 62.300 0.006 0.000 1.036 158 V CB -1.523 30.303 31.823 0.005 0.000 0.664 158 V HN 0.556 nan 8.190 nan 0.000 0.453 159 G N 0.609 109.412 108.800 0.006 0.000 2.545 159 G HA2 -0.392 3.568 3.960 0.000 0.000 0.217 159 G HA3 -0.392 3.568 3.960 0.000 0.000 0.217 159 G C 1.549 176.453 174.900 0.006 0.000 1.218 159 G CA 1.474 46.578 45.100 0.006 0.000 0.787 159 G HN 0.481 nan 8.290 nan 0.000 0.571 160 K N -0.117 120.285 120.400 0.004 0.000 2.089 160 K HA -0.129 4.191 4.320 0.000 0.000 0.210 160 K C 2.308 178.911 176.600 0.005 0.000 1.048 160 K CA 1.321 57.611 56.287 0.004 0.000 0.926 160 K CB -0.680 31.822 32.500 0.002 0.000 0.714 160 K HN 0.252 nan 8.250 nan 0.000 0.448 161 L N 0.517 121.744 121.223 0.006 0.000 2.056 161 L HA 0.053 4.393 4.340 0.000 0.000 0.207 161 L C 2.141 179.016 176.870 0.010 0.000 1.078 161 L CA 1.507 56.351 54.840 0.007 0.000 0.749 161 L CB -0.523 41.541 42.059 0.008 0.000 0.901 161 L HN 0.307 nan 8.230 nan 0.000 0.433 162 I N -0.852 119.725 120.570 0.012 0.000 2.202 162 I HA -0.285 3.885 4.170 0.000 0.000 0.242 162 I C 2.539 178.663 176.117 0.012 0.000 1.091 162 I CA 1.196 62.505 61.300 0.015 0.000 1.368 162 I CB -0.449 37.563 38.000 0.020 0.000 1.058 162 I HN 0.275 nan 8.210 nan 0.000 0.410 163 A N 0.071 122.897 122.820 0.010 0.000 1.908 163 A HA -0.275 4.045 4.320 0.000 0.000 0.218 163 A C 2.239 179.827 177.584 0.006 0.000 1.181 163 A CA 1.903 53.945 52.037 0.008 0.000 0.627 163 A CB -0.677 18.327 19.000 0.007 0.000 0.818 163 A HN 0.449 nan 8.150 nan 0.000 0.445 164 E N -0.572 119.632 120.200 0.006 0.000 2.153 164 E HA -0.112 4.238 4.350 0.000 0.000 0.194 164 E C 2.298 178.901 176.600 0.005 0.000 0.988 164 E CA 0.772 57.175 56.400 0.005 0.000 0.811 164 E CB -0.226 29.477 29.700 0.005 0.000 0.746 164 E HN 0.643 nan 8.360 nan 0.000 0.466 165 A N 1.353 124.177 122.820 0.007 0.000 1.832 165 A HA -0.197 4.123 4.320 0.000 0.000 0.214 165 A C 2.180 179.767 177.584 0.006 0.000 1.200 165 A CA 1.486 53.528 52.037 0.007 0.000 0.610 165 A CB -0.590 18.416 19.000 0.010 0.000 0.842 165 A HN 0.140 nan 8.150 nan 0.000 0.444 166 M N -0.597 119.007 119.600 0.006 0.000 2.260 166 M HA -0.215 4.265 4.480 0.000 0.000 0.261 166 M C 1.726 178.028 176.300 0.003 0.000 1.066 166 M CA 2.105 57.407 55.300 0.004 0.000 1.082 166 M CB -0.850 31.752 32.600 0.004 0.000 1.388 166 M HN 0.573 nan 8.290 nan 0.000 0.419 167 D N 0.571 120.973 120.400 0.003 0.000 2.144 167 D HA -0.113 4.527 4.640 0.000 0.000 0.200 167 D C 1.887 178.188 176.300 0.002 0.000 0.978 167 D CA 1.240 55.242 54.000 0.002 0.000 0.833 167 D CB 0.232 41.034 40.800 0.003 0.000 0.961 167 D HN 0.264 nan 8.370 nan 0.000 0.470 168 K N -0.721 119.681 120.400 0.003 0.000 2.284 168 K HA 0.037 4.357 4.320 0.000 0.000 0.198 168 K C 1.953 178.555 176.600 0.002 0.000 1.048 168 K CA 0.676 56.964 56.287 0.002 0.000 0.987 168 K CB 0.630 33.132 32.500 0.003 0.000 0.800 168 K HN 0.143 nan 8.250 nan 0.000 0.486 169 V N -2.555 117.361 119.914 0.002 0.000 2.725 169 V HA 0.303 4.423 4.120 0.000 0.000 0.247 169 V C 0.979 177.072 176.094 -0.001 0.000 1.058 169 V CA 0.599 62.899 62.300 0.001 0.000 1.080 169 V CB -0.655 31.169 31.823 0.001 0.000 0.713 169 V HN 0.348 nan 8.190 nan 0.000 0.465 170 G N 0.435 109.234 108.800 -0.001 0.000 2.582 170 G HA2 -0.198 3.762 3.960 0.000 0.000 0.222 170 G HA3 -0.198 3.762 3.960 0.000 0.000 0.222 170 G C 0.150 175.048 174.900 -0.004 0.000 1.311 170 G CA 0.201 45.300 45.100 -0.002 0.000 0.915 170 G HN 0.331 nan 8.290 nan 0.000 0.528 171 K N -0.027 120.370 120.400 -0.005 0.000 2.098 171 K HA 0.079 4.399 4.320 0.000 0.000 0.203 171 K C 1.830 178.424 176.600 -0.010 0.000 1.051 171 K CA 1.202 57.484 56.287 -0.007 0.000 0.957 171 K CB -0.040 32.456 32.500 -0.007 0.000 0.738 171 K HN 0.366 nan 8.250 nan 0.000 0.447 172 E N 0.748 120.941 120.200 -0.010 0.000 2.533 172 E HA -0.007 4.343 4.350 0.000 0.000 0.201 172 E C 0.356 176.947 176.600 -0.014 0.000 1.097 172 E CA 0.269 56.661 56.400 -0.013 0.000 0.887 172 E CB -0.034 29.658 29.700 -0.013 0.000 0.855 172 E HN 0.256 nan 8.360 nan 0.000 0.540 173 G N 0.029 108.822 108.800 -0.012 0.000 2.416 173 G HA2 0.446 4.406 3.960 0.000 0.000 0.329 173 G HA3 0.446 4.406 3.960 0.000 0.000 0.329 173 G C -0.335 174.559 174.900 -0.010 0.000 1.173 173 G CA -0.515 44.579 45.100 -0.009 0.000 0.929 173 G HN -0.060 nan 8.290 nan 0.000 0.475 174 V N 1.638 121.547 119.914 -0.009 0.000 2.644 174 V HA 0.518 4.638 4.120 0.000 0.000 0.295 174 V C 0.032 176.126 176.094 -0.001 0.000 1.053 174 V CA -0.399 61.897 62.300 -0.008 0.000 0.987 174 V CB 1.305 33.124 31.823 -0.008 0.000 1.006 174 V HN 0.571 nan 8.190 nan 0.000 0.472 175 I N 3.132 123.703 120.570 0.001 0.000 2.499 175 I HA 0.488 4.658 4.170 0.000 0.000 0.288 175 I C -0.033 176.095 176.117 0.018 0.000 1.048 175 I CA -0.206 61.100 61.300 0.010 0.000 1.062 175 I CB 2.393 40.401 38.000 0.012 0.000 1.238 175 I HN 0.761 nan 8.210 nan 0.000 0.426 176 T N 2.740 117.307 114.554 0.022 0.000 2.912 176 T HA 0.705 5.055 4.350 0.000 0.000 0.288 176 T C -0.624 174.094 174.700 0.032 0.000 1.030 176 T CA -0.905 61.214 62.100 0.031 0.000 1.020 176 T CB 2.407 71.293 68.868 0.029 0.000 1.056 176 T HN 0.328 nan 8.240 nan 0.000 0.480 177 V N 1.742 121.679 119.914 0.038 0.000 2.555 177 V HA 0.830 4.950 4.120 0.000 0.000 0.302 177 V C -1.450 174.661 176.094 0.028 0.000 1.038 177 V CA -0.484 61.836 62.300 0.032 0.000 0.887 177 V CB 1.174 33.020 31.823 0.037 0.000 0.991 177 V HN 1.192 nan 8.190 nan 0.000 0.434 178 E N 3.322 123.535 120.200 0.021 0.000 2.437 178 E HA 0.484 4.834 4.350 0.000 0.000 0.280 178 E C -1.863 174.745 176.600 0.014 0.000 1.044 178 E CA -0.991 55.420 56.400 0.018 0.000 0.826 178 E CB 0.680 30.391 29.700 0.018 0.000 1.358 178 E HN 0.502 nan 8.360 nan 0.000 0.459 179 D N 0.722 121.130 120.400 0.012 0.000 2.458 179 D HA 0.296 4.936 4.640 0.000 0.000 0.243 179 D C 0.293 176.597 176.300 0.007 0.000 1.146 179 D CA 0.515 54.521 54.000 0.009 0.000 0.877 179 D CB 0.897 41.702 40.800 0.009 0.000 1.176 179 D HN 0.555 nan 8.370 nan 0.000 0.461 180 G N 0.068 108.872 108.800 0.006 0.000 2.502 180 G HA2 0.365 4.325 3.960 0.000 0.000 0.305 180 G HA3 0.365 4.325 3.960 0.000 0.000 0.305 180 G C 1.043 175.945 174.900 0.004 0.000 1.190 180 G CA -0.139 44.964 45.100 0.005 0.000 0.933 180 G HN 0.436 nan 8.290 nan 0.000 0.503 181 T N -1.845 112.711 114.554 0.002 0.000 2.925 181 T HA 0.252 4.602 4.350 0.000 0.000 0.245 181 T C 1.623 176.324 174.700 0.002 0.000 1.025 181 T CA 0.920 63.021 62.100 0.002 0.000 1.149 181 T CB -0.560 68.309 68.868 0.001 0.000 0.866 181 T HN 0.751 nan 8.240 nan 0.000 0.437 182 G N 0.939 109.740 108.800 0.001 0.000 2.525 182 G HA2 0.428 4.388 3.960 0.000 0.000 0.276 182 G HA3 0.428 4.388 3.960 0.000 0.000 0.276 182 G C 0.597 175.497 174.900 0.001 0.000 1.388 182 G CA -0.485 44.616 45.100 0.001 0.000 1.050 182 G HN 0.357 nan 8.290 nan 0.000 0.520 183 L N -0.666 120.558 121.223 0.001 0.000 2.477 183 L HA 0.139 4.479 4.340 0.000 0.000 0.220 183 L C 0.382 177.252 176.870 0.001 0.000 1.106 183 L CA 0.573 55.413 54.840 0.000 0.000 0.851 183 L CB -0.218 41.841 42.059 -0.000 0.000 0.994 183 L HN 0.501 nan 8.230 nan 0.000 0.462 184 Q N -0.565 119.236 119.800 0.001 0.000 2.306 184 Q HA 0.325 4.665 4.340 0.000 0.000 0.265 184 Q C -0.696 175.305 176.000 0.002 0.000 1.022 184 Q CA -0.776 55.027 55.803 0.001 0.000 0.853 184 Q CB 0.761 29.500 28.738 0.001 0.000 1.327 184 Q HN -0.013 nan 8.270 nan 0.000 0.449 185 D N 1.383 121.785 120.400 0.002 0.000 2.423 185 D HA 0.060 4.700 4.640 0.000 0.000 0.238 185 D C -0.413 175.889 176.300 0.004 0.000 1.142 185 D CA 0.381 54.383 54.000 0.004 0.000 0.884 185 D CB 0.965 41.768 40.800 0.004 0.000 1.199 185 D HN 0.633 nan 8.370 nan 0.000 0.438 186 E N 1.027 121.230 120.200 0.005 0.000 2.321 186 E HA 0.332 4.682 4.350 0.000 0.000 0.278 186 E C -1.933 174.670 176.600 0.005 0.000 0.902 186 E CA -0.824 55.579 56.400 0.004 0.000 0.758 186 E CB 1.865 31.567 29.700 0.003 0.000 1.213 186 E HN 0.199 nan 8.360 nan 0.000 0.426 187 L N 4.155 125.381 121.223 0.005 0.000 2.287 187 L HA 0.497 4.837 4.340 0.000 0.000 0.287 187 L C -1.294 175.579 176.870 0.005 0.000 1.022 187 L CA -0.192 54.651 54.840 0.006 0.000 0.814 187 L CB 1.319 43.382 42.059 0.006 0.000 1.217 187 L HN 0.445 nan 8.230 nan 0.000 0.420 188 D N 4.274 124.677 120.400 0.005 0.000 2.217 188 D HA 0.479 5.119 4.640 0.000 0.000 0.243 188 D C -0.969 175.333 176.300 0.005 0.000 1.054 188 D CA -0.062 53.941 54.000 0.004 0.000 0.838 188 D CB 2.578 43.380 40.800 0.003 0.000 1.162 188 D HN 0.286 nan 8.370 nan 0.000 0.472 189 V N 2.317 122.233 119.914 0.004 0.000 2.588 189 V HA 0.304 4.424 4.120 0.000 0.000 0.304 189 V C -0.081 176.016 176.094 0.005 0.000 1.042 189 V CA -0.819 61.484 62.300 0.005 0.000 0.877 189 V CB 2.243 34.068 31.823 0.004 0.000 0.996 189 V HN 0.269 nan 8.190 nan 0.000 0.425 190 V N 3.962 123.880 119.914 0.007 0.000 2.370 190 V HA 0.436 4.556 4.120 0.000 0.000 0.283 190 V C 0.076 176.176 176.094 0.010 0.000 1.023 190 V CA -0.797 61.508 62.300 0.008 0.000 0.857 190 V CB 1.419 33.248 31.823 0.010 0.000 0.985 190 V HN 0.777 nan 8.190 nan 0.000 0.443 191 E N 3.163 123.368 120.200 0.009 0.000 2.313 191 E HA 0.494 4.844 4.350 0.000 0.000 0.276 191 E C 0.900 177.509 176.600 0.015 0.000 1.031 191 E CA 1.010 57.415 56.400 0.009 0.000 0.857 191 E CB 1.470 31.174 29.700 0.006 0.000 1.040 191 E HN 0.994 nan 8.360 nan 0.000 0.408 192 G N 3.027 111.836 108.800 0.015 0.000 2.528 192 G HA2 -0.321 3.639 3.960 0.000 0.000 0.262 192 G HA3 -0.321 3.639 3.960 0.000 0.000 0.262 192 G C -0.069 174.850 174.900 0.031 0.000 1.200 192 G CA 0.356 45.468 45.100 0.020 0.000 0.951 192 G HN 0.575 nan 8.290 nan 0.000 0.566 193 M N 0.740 120.368 119.600 0.048 0.000 2.294 193 M HA 0.756 5.236 4.480 0.000 0.000 0.335 193 M C -0.453 175.930 176.300 0.138 0.000 1.079 193 M CA -0.507 54.840 55.300 0.077 0.000 0.982 193 M CB 1.653 34.291 32.600 0.064 0.000 1.651 193 M HN 0.921 nan 8.290 nan 0.000 0.437 194 Q N 4.206 124.110 119.800 0.174 0.000 2.418 194 Q HA 0.673 5.013 4.340 0.000 0.000 0.282 194 Q C -2.159 174.028 176.000 0.312 0.000 1.044 194 Q CA -0.760 55.164 55.803 0.203 0.000 0.813 194 Q CB 2.358 31.128 28.738 0.053 0.000 1.428 194 Q HN 0.805 nan 8.270 nan 0.000 0.402 195 F N -1.092 118.850 119.950 -0.013 0.000 2.711 195 F HA 0.471 4.998 4.527 0.000 0.000 0.313 195 F C -1.118 174.673 175.800 -0.015 0.000 1.141 195 F CA -1.351 56.643 58.000 -0.010 0.000 0.941 195 F CB 0.728 39.724 39.000 -0.007 0.000 1.349 195 F HN 0.406 nan 8.300 nan 0.000 0.464 196 D N 1.528 121.988 120.400 0.101 0.000 2.934 196 D HA 0.268 4.909 4.640 0.000 0.000 0.237 196 D C -0.493 175.781 176.300 -0.043 0.000 1.158 196 D CA 0.007 54.002 54.000 -0.009 0.000 0.971 196 D CB -0.114 40.712 40.800 0.043 0.000 1.123 196 D HN 0.232 nan 8.370 nan 0.000 0.467 197 R N 0.452 120.833 120.500 -0.199 0.000 2.651 197 R HA 0.725 5.065 4.340 0.000 0.000 0.278 197 R C 0.127 176.263 176.300 -0.273 0.000 1.010 197 R CA -0.835 55.167 56.100 -0.163 0.000 0.896 197 R CB 1.959 32.251 30.300 -0.013 0.000 1.211 197 R HN 0.248 nan 8.270 nan 0.000 0.456 198 G N 0.669 109.329 108.800 -0.232 0.000 2.735 198 G HA2 0.503 4.463 3.960 0.000 0.000 0.301 198 G HA3 0.503 4.463 3.960 0.000 0.000 0.301 198 G C -0.751 174.017 174.900 -0.220 0.000 1.279 198 G CA -0.681 44.211 45.100 -0.347 0.000 1.019 198 G HN 0.427 nan 8.290 nan 0.000 0.497 199 Y N -1.198 119.107 120.300 0.009 0.000 2.709 199 Y HA 0.245 4.795 4.550 0.000 0.000 0.348 199 Y C 1.023 177.023 175.900 0.168 0.000 1.267 199 Y CA -0.661 57.500 58.100 0.101 0.000 1.486 199 Y CB 0.263 38.868 38.460 0.242 0.000 1.356 199 Y HN 0.183 nan 8.280 nan 0.000 0.639 200 L N 1.698 123.248 121.223 0.546 0.000 2.607 200 L HA 0.220 4.560 4.340 0.000 0.000 0.228 200 L C 0.196 177.287 176.870 0.367 0.000 1.123 200 L CA 0.519 55.597 54.840 0.397 0.000 0.890 200 L CB -0.182 42.063 42.059 0.310 0.000 1.103 200 L HN 0.798 nan 8.230 nan 0.000 0.468 201 S N -2.286 113.657 115.700 0.404 0.000 2.626 201 S HA 0.349 4.819 4.470 0.000 0.000 0.275 201 S C -2.562 171.902 174.600 -0.227 0.000 1.175 201 S CA -0.938 57.289 58.200 0.045 0.000 0.982 201 S CB 1.741 64.870 63.200 -0.118 0.000 1.093 201 S HN -0.238 nan 8.310 nan 0.000 0.472 202 P HA -0.046 nan 4.420 nan 0.000 0.231 202 P C 0.124 176.993 177.300 -0.719 0.000 1.154 202 P CA 0.937 63.571 63.100 -0.776 0.000 0.762 202 P CB -0.348 31.035 31.700 -0.528 0.000 0.790 203 Y N -2.782 117.259 120.300 -0.432 0.000 2.347 203 Y HA 0.026 4.576 4.550 0.000 0.000 0.294 203 Y C 2.009 177.743 175.900 -0.276 0.000 1.117 203 Y CA 0.511 58.402 58.100 -0.349 0.000 1.184 203 Y CB -1.122 37.116 38.460 -0.369 0.000 1.047 203 Y HN -0.144 nan 8.280 nan 0.000 0.546 204 F N 0.658 120.594 119.950 -0.023 0.000 2.176 204 F HA -0.258 4.269 4.527 0.000 0.000 0.301 204 F C 1.012 176.782 175.800 -0.049 0.000 1.071 204 F CA 0.462 58.449 58.000 -0.022 0.000 1.289 204 F CB -1.398 37.596 39.000 -0.011 0.000 1.028 204 F HN -0.126 nan 8.300 nan 0.000 0.494 205 I N 2.439 123.027 120.570 0.029 0.000 2.978 205 I HA -0.228 3.942 4.170 0.000 0.000 0.293 205 I C 1.086 177.221 176.117 0.031 0.000 1.218 205 I CA 0.583 61.879 61.300 -0.007 0.000 1.393 205 I CB -0.143 37.785 38.000 -0.120 0.000 1.394 205 I HN 0.246 nan 8.210 nan 0.000 0.541 206 N N 5.347 124.078 118.700 0.052 0.000 2.280 206 N HA 0.013 4.753 4.740 0.000 0.000 0.192 206 N C 0.022 175.550 175.510 0.029 0.000 1.109 206 N CA 0.131 53.206 53.050 0.043 0.000 0.855 206 N CB 0.386 38.903 38.487 0.050 0.000 0.974 206 N HN 0.484 nan 8.380 nan 0.000 0.482 207 K N 0.637 121.053 120.400 0.027 0.000 2.701 207 K HA 0.250 4.570 4.320 0.000 0.000 0.212 207 K C -2.175 174.435 176.600 0.016 0.000 1.035 207 K CA -1.783 54.516 56.287 0.021 0.000 1.048 207 K CB 2.072 34.586 32.500 0.023 0.000 1.234 207 K HN -0.029 nan 8.250 nan 0.000 0.540 208 P HA -0.164 nan 4.420 nan 0.000 0.228 208 P C 0.051 177.355 177.300 0.006 0.000 1.151 208 P CA 1.068 64.167 63.100 -0.001 0.000 0.770 208 P CB 0.465 32.160 31.700 -0.009 0.000 0.786 209 E N -0.364 119.842 120.200 0.010 0.000 2.107 209 E HA -0.073 4.277 4.350 0.000 0.000 0.191 209 E C 1.842 178.451 176.600 0.015 0.000 0.982 209 E CA 1.424 57.830 56.400 0.010 0.000 0.809 209 E CB -1.291 28.414 29.700 0.008 0.000 0.756 209 E HN 0.217 nan 8.360 nan 0.000 0.459 210 T N -0.901 113.666 114.554 0.021 0.000 3.054 210 T HA 0.160 4.510 4.350 0.000 0.000 0.259 210 T C 1.455 176.180 174.700 0.042 0.000 1.092 210 T CA 0.659 62.775 62.100 0.027 0.000 1.121 210 T CB -0.000 68.885 68.868 0.028 0.000 0.912 210 T HN 0.413 nan 8.240 nan 0.000 0.489 211 G N 1.440 110.269 108.800 0.048 0.000 2.160 211 G HA2 0.005 3.965 3.960 0.000 0.000 0.251 211 G HA3 0.005 3.965 3.960 0.000 0.000 0.251 211 G C 0.072 175.069 174.900 0.161 0.000 1.008 211 G CA 0.076 45.223 45.100 0.077 0.000 0.724 211 G HN 0.958 nan 8.290 nan 0.000 0.514 212 A N -1.335 121.560 122.820 0.126 0.000 2.515 212 A HA 0.907 5.227 4.320 0.000 0.000 0.296 212 A C -0.317 177.338 177.584 0.119 0.000 1.094 212 A CA -0.170 51.968 52.037 0.167 0.000 0.718 212 A CB 2.014 21.071 19.000 0.094 0.000 1.307 212 A HN 1.282 nan 8.150 nan 0.000 0.408 213 V N 0.935 120.934 119.914 0.141 0.000 2.427 213 V HA 0.526 4.646 4.120 0.000 0.000 0.286 213 V C 0.048 176.175 176.094 0.055 0.000 1.034 213 V CA -0.393 61.967 62.300 0.100 0.000 0.893 213 V CB 1.247 33.145 31.823 0.126 0.000 0.982 213 V HN 0.899 nan 8.190 nan 0.000 0.452 214 E N 4.442 124.667 120.200 0.041 0.000 2.191 214 E HA 0.659 5.009 4.350 0.000 0.000 0.263 214 E C -1.718 174.892 176.600 0.017 0.000 0.881 214 E CA -0.569 55.845 56.400 0.022 0.000 0.757 214 E CB 1.557 31.269 29.700 0.019 0.000 1.147 214 E HN 0.647 nan 8.360 nan 0.000 0.414 215 L N 3.278 124.504 121.223 0.006 0.000 2.386 215 L HA 0.533 4.873 4.340 0.000 0.000 0.271 215 L C -0.566 176.295 176.870 -0.014 0.000 0.993 215 L CA -0.842 53.997 54.840 -0.000 0.000 0.819 215 L CB 2.115 44.173 42.059 -0.002 0.000 1.294 215 L HN 0.468 nan 8.230 nan 0.000 0.414 216 E N 1.206 121.393 120.200 -0.022 0.000 2.199 216 E HA 0.383 4.733 4.350 0.000 0.000 0.265 216 E C -0.466 176.095 176.600 -0.065 0.000 0.882 216 E CA -0.654 55.725 56.400 -0.036 0.000 0.759 216 E CB 1.773 31.458 29.700 -0.024 0.000 1.148 216 E HN 0.621 nan 8.360 nan 0.000 0.412 217 S N 1.149 116.798 115.700 -0.085 0.000 3.682 217 S HA -0.127 4.343 4.470 0.000 0.000 0.354 217 S C -2.265 172.190 174.600 -0.241 0.000 1.034 217 S CA 0.405 58.518 58.200 -0.144 0.000 1.084 217 S CB -1.582 61.537 63.200 -0.135 0.000 0.903 217 S HN 0.475 nan 8.310 nan 0.000 0.470 218 P HA 0.622 nan 4.420 nan 0.000 0.282 218 P C 0.054 177.208 177.300 -0.243 0.000 1.259 218 P CA -0.716 62.272 63.100 -0.187 0.000 0.826 218 P CB 0.466 32.134 31.700 -0.053 0.000 1.064 219 F N 0.440 120.394 119.950 0.007 0.000 2.380 219 F HA 0.416 4.943 4.527 0.000 0.000 0.325 219 F C 0.869 176.673 175.800 0.006 0.000 1.136 219 F CA 0.004 58.008 58.000 0.006 0.000 1.171 219 F CB 0.330 39.333 39.000 0.006 0.000 1.230 219 F HN 0.044 nan 8.300 nan 0.000 0.554 220 I N 2.874 123.584 120.570 0.235 0.000 2.468 220 I HA 0.251 4.421 4.170 0.000 0.000 0.285 220 I C -1.315 174.858 176.117 0.094 0.000 1.039 220 I CA -0.670 60.705 61.300 0.125 0.000 1.074 220 I CB 1.808 39.858 38.000 0.084 0.000 1.228 220 I HN 0.282 nan 8.210 nan 0.000 0.436 221 L N 7.887 129.150 121.223 0.068 0.000 2.276 221 L HA 0.511 4.851 4.340 0.000 0.000 0.286 221 L C -0.989 175.899 176.870 0.030 0.000 1.061 221 L CA 0.093 54.956 54.840 0.039 0.000 0.807 221 L CB 0.746 42.823 42.059 0.030 0.000 1.177 221 L HN 0.494 nan 8.230 nan 0.000 0.429 222 L N 6.781 128.015 121.223 0.019 0.000 2.371 222 L HA 0.545 4.885 4.340 0.000 0.000 0.262 222 L C 0.088 176.962 176.870 0.007 0.000 1.054 222 L CA -0.491 54.355 54.840 0.010 0.000 0.924 222 L CB 0.864 42.922 42.059 -0.001 0.000 1.295 222 L HN 0.810 nan 8.230 nan 0.000 0.441 223 A N 1.316 124.144 122.820 0.013 0.000 2.316 223 A HA 0.235 4.555 4.320 0.000 0.000 0.311 223 A C -0.121 177.471 177.584 0.014 0.000 1.339 223 A CA -0.412 51.634 52.037 0.014 0.000 0.960 223 A CB 0.135 19.148 19.000 0.020 0.000 1.152 223 A HN 0.625 nan 8.150 nan 0.000 0.547 224 D N 2.890 123.294 120.400 0.007 0.000 2.517 224 D HA 0.409 5.049 4.640 0.000 0.000 0.220 224 D C -0.065 176.243 176.300 0.013 0.000 1.158 224 D CA 0.361 54.365 54.000 0.008 0.000 0.992 224 D CB -0.526 40.273 40.800 -0.001 0.000 1.058 224 D HN 0.663 nan 8.370 nan 0.000 0.516 225 K N -0.044 120.368 120.400 0.021 0.000 3.245 225 K HA 0.126 4.446 4.320 0.000 0.000 0.350 225 K C -1.212 175.406 176.600 0.030 0.000 1.129 225 K CA -1.134 55.168 56.287 0.024 0.000 0.883 225 K CB 0.294 32.806 32.500 0.019 0.000 1.411 225 K HN -0.133 nan 8.250 nan 0.000 0.412 226 K N 0.921 121.340 120.400 0.032 0.000 2.219 226 K HA 0.338 4.658 4.320 0.000 0.000 0.258 226 K C -0.320 176.301 176.600 0.035 0.000 1.008 226 K CA -0.238 56.071 56.287 0.036 0.000 0.928 226 K CB 0.425 32.947 32.500 0.035 0.000 0.983 226 K HN 0.408 nan 8.250 nan 0.000 0.484 227 I N 2.074 122.668 120.570 0.040 0.000 2.466 227 I HA 0.042 4.212 4.170 0.000 0.000 0.279 227 I C 0.252 176.393 176.117 0.040 0.000 1.033 227 I CA -0.041 61.283 61.300 0.040 0.000 1.123 227 I CB 1.670 39.697 38.000 0.046 0.000 1.237 227 I HN 0.623 nan 8.210 nan 0.000 0.460 228 S N 3.075 118.794 115.700 0.033 0.000 2.506 228 S HA 0.177 4.647 4.470 0.000 0.000 0.230 228 S C 0.795 175.411 174.600 0.026 0.000 1.066 228 S CA 0.086 58.304 58.200 0.030 0.000 0.940 228 S CB 0.201 63.416 63.200 0.025 0.000 0.818 228 S HN 0.552 nan 8.310 nan 0.000 0.518 229 N N 2.533 121.246 118.700 0.023 0.000 2.437 229 N HA 0.260 5.000 4.740 0.000 0.000 0.243 229 N C 0.622 176.144 175.510 0.020 0.000 1.041 229 N CA -0.052 53.010 53.050 0.019 0.000 0.940 229 N CB 1.034 39.530 38.487 0.015 0.000 1.133 229 N HN 0.208 nan 8.380 nan 0.000 0.506 230 I N 3.324 123.907 120.570 0.020 0.000 2.315 230 I HA -0.335 3.835 4.170 0.000 0.000 0.251 230 I C 1.722 177.848 176.117 0.016 0.000 1.125 230 I CA 1.400 62.712 61.300 0.021 0.000 1.392 230 I CB 0.226 38.237 38.000 0.020 0.000 1.065 230 I HN 0.459 nan 8.210 nan 0.000 0.424 231 R N 0.843 121.350 120.500 0.012 0.000 2.133 231 R HA -0.242 4.098 4.340 0.000 0.000 0.247 231 R C 1.810 178.114 176.300 0.007 0.000 1.151 231 R CA 1.988 58.093 56.100 0.008 0.000 0.971 231 R CB -0.742 29.562 30.300 0.007 0.000 0.866 231 R HN 0.555 nan 8.270 nan 0.000 0.447 232 E N 0.088 120.293 120.200 0.010 0.000 2.338 232 E HA -0.095 4.255 4.350 0.000 0.000 0.197 232 E C 1.775 178.380 176.600 0.007 0.000 1.007 232 E CA 0.696 57.101 56.400 0.008 0.000 0.849 232 E CB 0.051 29.758 29.700 0.011 0.000 0.774 232 E HN 0.303 nan 8.360 nan 0.000 0.506 233 M N -0.034 119.573 119.600 0.011 0.000 2.429 233 M HA 0.038 4.518 4.480 0.000 0.000 0.265 233 M C 2.251 178.554 176.300 0.005 0.000 1.120 233 M CA 0.736 56.043 55.300 0.011 0.000 1.173 233 M CB -0.775 31.838 32.600 0.022 0.000 1.343 233 M HN 0.115 nan 8.290 nan 0.000 0.464 234 L N 0.871 122.097 121.223 0.005 0.000 2.026 234 L HA -0.286 4.054 4.340 0.000 0.000 0.231 234 L C -0.321 176.546 176.870 -0.005 0.000 1.095 234 L CA 2.162 57.004 54.840 0.002 0.000 0.810 234 L CB -2.704 39.357 42.059 0.002 0.000 0.909 234 L HN 0.169 nan 8.230 nan 0.000 0.444 235 P HA -0.171 nan 4.420 nan 0.000 0.216 235 P C 1.867 179.151 177.300 -0.027 0.000 1.157 235 P CA 1.776 64.866 63.100 -0.016 0.000 0.880 235 P CB -0.077 31.613 31.700 -0.016 0.000 0.791 236 V N 0.289 120.186 119.914 -0.028 0.000 2.283 236 V HA -0.176 3.944 4.120 0.000 0.000 0.243 236 V C 2.827 178.896 176.094 -0.041 0.000 1.039 236 V CA 1.352 63.625 62.300 -0.046 0.000 1.016 236 V CB -1.375 30.424 31.823 -0.040 0.000 0.650 236 V HN -0.008 nan 8.190 nan 0.000 0.449 237 L N -0.011 121.203 121.223 -0.016 0.000 2.263 237 L HA -0.241 4.099 4.340 0.000 0.000 0.216 237 L C 2.502 179.370 176.870 -0.003 0.000 1.111 237 L CA 1.615 56.455 54.840 0.000 0.000 0.773 237 L CB -0.472 41.596 42.059 0.014 0.000 0.906 237 L HN 0.518 nan 8.230 nan 0.000 0.439 238 E N -0.625 119.567 120.200 -0.013 0.000 2.166 238 E HA -0.022 4.328 4.350 0.000 0.000 0.192 238 E C 2.283 178.870 176.600 -0.021 0.000 0.967 238 E CA 0.733 57.127 56.400 -0.010 0.000 0.840 238 E CB -0.013 29.682 29.700 -0.010 0.000 0.795 238 E HN 0.444 nan 8.360 nan 0.000 0.470 239 A N 1.391 124.184 122.820 -0.044 0.000 2.015 239 A HA -0.105 4.215 4.320 0.000 0.000 0.219 239 A C 2.415 179.952 177.584 -0.079 0.000 1.163 239 A CA 0.921 52.917 52.037 -0.067 0.000 0.646 239 A CB -0.458 18.482 19.000 -0.100 0.000 0.806 239 A HN 0.097 nan 8.150 nan 0.000 0.448 240 V N -0.564 119.307 119.914 -0.071 0.000 2.667 240 V HA -0.110 4.010 4.120 0.000 0.000 0.252 240 V C 2.668 178.790 176.094 0.047 0.000 1.065 240 V CA 1.466 63.754 62.300 -0.020 0.000 1.083 240 V CB -0.992 30.836 31.823 0.009 0.000 0.692 240 V HN 0.553 nan 8.190 nan 0.000 0.468 241 A N -0.825 122.011 122.820 0.026 0.000 2.235 241 A HA 0.008 4.328 4.320 0.000 0.000 0.208 241 A C 2.186 179.789 177.584 0.032 0.000 1.172 241 A CA 0.814 52.871 52.037 0.034 0.000 0.786 241 A CB -0.214 18.800 19.000 0.023 0.000 0.804 241 A HN 0.506 nan 8.150 nan 0.000 0.479 242 K N -1.113 119.303 120.400 0.028 0.000 2.313 242 K HA 0.239 4.559 4.320 0.000 0.000 0.197 242 K C 1.904 178.534 176.600 0.051 0.000 1.061 242 K CA 0.708 57.012 56.287 0.028 0.000 0.980 242 K CB 0.177 32.683 32.500 0.011 0.000 0.888 242 K HN 0.344 nan 8.250 nan 0.000 0.502 243 A N 0.637 123.506 122.820 0.082 0.000 2.167 243 A HA 0.131 4.451 4.320 0.000 0.000 0.214 243 A C 1.433 179.102 177.584 0.143 0.000 1.151 243 A CA 1.034 53.160 52.037 0.149 0.000 0.735 243 A CB -0.462 18.713 19.000 0.292 0.000 0.802 243 A HN 0.399 nan 8.150 nan 0.000 0.467 244 G N -0.767 108.100 108.800 0.113 0.000 2.166 244 G HA2 -0.304 3.656 3.960 0.000 0.000 0.260 244 G HA3 -0.304 3.656 3.960 0.000 0.000 0.260 244 G C 0.215 175.165 174.900 0.084 0.000 0.986 244 G CA 1.002 46.151 45.100 0.082 0.000 0.683 244 G HN 0.608 nan 8.290 nan 0.000 0.527 245 K N 0.910 121.392 120.400 0.135 0.000 2.156 245 K HA 0.538 4.858 4.320 0.000 0.000 0.254 245 K C -1.915 174.757 176.600 0.118 0.000 0.950 245 K CA -2.024 54.309 56.287 0.077 0.000 0.849 245 K CB 1.916 34.384 32.500 -0.053 0.000 1.100 245 K HN 0.029 nan 8.250 nan 0.000 0.434 246 P HA 0.064 nan 4.420 nan 0.000 0.272 246 P C -1.212 176.156 177.300 0.114 0.000 1.254 246 P CA -0.460 62.684 63.100 0.072 0.000 0.795 246 P CB 0.504 32.224 31.700 0.033 0.000 1.022 247 L N 0.331 121.613 121.223 0.098 0.000 2.464 247 L HA 0.521 4.861 4.340 0.000 0.000 0.266 247 L C -1.724 175.175 176.870 0.049 0.000 0.965 247 L CA -1.075 53.833 54.840 0.114 0.000 0.833 247 L CB 1.638 43.775 42.059 0.130 0.000 1.296 247 L HN 0.131 nan 8.230 nan 0.000 0.405 248 L N 5.976 127.228 121.223 0.048 0.000 2.287 248 L HA 0.622 4.962 4.340 0.000 0.000 0.287 248 L C -1.117 175.766 176.870 0.021 0.000 1.022 248 L CA -0.212 54.633 54.840 0.008 0.000 0.814 248 L CB 1.130 43.202 42.059 0.021 0.000 1.217 248 L HN 0.462 nan 8.230 nan 0.000 0.420 249 I N 7.326 127.890 120.570 -0.009 0.000 2.306 249 I HA 0.276 4.446 4.170 0.000 0.000 0.288 249 I C -0.178 175.953 176.117 0.023 0.000 1.036 249 I CA -0.215 61.092 61.300 0.013 0.000 1.221 249 I CB 0.809 38.816 38.000 0.012 0.000 1.385 249 I HN 0.546 nan 8.210 nan 0.000 0.472 250 I N 5.916 126.512 120.570 0.044 0.000 2.310 250 I HA 0.451 4.621 4.170 0.000 0.000 0.287 250 I C 0.603 176.748 176.117 0.046 0.000 1.073 250 I CA -0.090 61.248 61.300 0.063 0.000 1.216 250 I CB 1.016 39.064 38.000 0.079 0.000 1.415 250 I HN 0.615 nan 8.210 nan 0.000 0.480 251 A N 4.463 127.314 122.820 0.052 0.000 2.288 251 A HA 0.395 4.715 4.320 0.000 0.000 0.328 251 A C 1.170 178.786 177.584 0.053 0.000 1.123 251 A CA -0.534 51.530 52.037 0.046 0.000 0.861 251 A CB 0.934 19.962 19.000 0.047 0.000 1.272 251 A HN 0.754 nan 8.150 nan 0.000 0.490 252 E N -0.618 119.610 120.200 0.046 0.000 2.160 252 E HA -0.167 4.183 4.350 0.000 0.000 0.195 252 E C -0.397 176.240 176.600 0.062 0.000 0.991 252 E CA 1.683 58.115 56.400 0.053 0.000 0.810 252 E CB 0.120 29.848 29.700 0.046 0.000 0.742 252 E HN 0.635 nan 8.360 nan 0.000 0.466 253 D N -2.119 118.317 120.400 0.060 0.000 2.720 253 D HA 0.126 4.766 4.640 0.000 0.000 0.239 253 D C -1.929 174.412 176.300 0.068 0.000 1.218 253 D CA -0.515 53.525 54.000 0.067 0.000 0.748 253 D CB 1.963 42.799 40.800 0.060 0.000 1.387 253 D HN -0.127 nan 8.370 nan 0.000 0.438 254 V N 2.622 122.586 119.914 0.083 0.000 2.305 254 V HA 0.423 4.543 4.120 0.000 0.000 0.275 254 V C 0.487 176.636 176.094 0.092 0.000 1.020 254 V CA -0.678 61.677 62.300 0.091 0.000 0.811 254 V CB 0.976 32.870 31.823 0.118 0.000 1.031 254 V HN 0.426 nan 8.190 nan 0.000 0.439 255 E N 2.476 122.718 120.200 0.070 0.000 2.622 255 E HA 0.387 4.737 4.350 0.000 0.000 0.255 255 E C 1.563 178.197 176.600 0.056 0.000 1.313 255 E CA 0.137 56.573 56.400 0.059 0.000 1.011 255 E CB 0.578 30.305 29.700 0.045 0.000 1.173 255 E HN 0.613 nan 8.360 nan 0.000 0.601 256 G N 0.825 109.652 108.800 0.045 0.000 2.855 256 G HA2 -0.407 3.553 3.960 0.000 0.000 0.227 256 G HA3 -0.407 3.553 3.960 0.000 0.000 0.227 256 G C 1.275 176.194 174.900 0.031 0.000 1.245 256 G CA 1.330 46.451 45.100 0.035 0.000 0.781 256 G HN 0.560 nan 8.290 nan 0.000 0.666 257 E N 0.789 121.005 120.200 0.027 0.000 2.019 257 E HA -0.225 4.125 4.350 0.000 0.000 0.208 257 E C 3.037 179.653 176.600 0.027 0.000 1.030 257 E CA 1.697 58.110 56.400 0.022 0.000 0.856 257 E CB -0.814 28.897 29.700 0.020 0.000 0.781 257 E HN 0.316 nan 8.360 nan 0.000 0.471 258 A N 1.232 124.074 122.820 0.037 0.000 1.873 258 A HA -0.223 4.097 4.320 0.000 0.000 0.218 258 A C 2.342 179.964 177.584 0.063 0.000 1.193 258 A CA 1.905 53.970 52.037 0.047 0.000 0.629 258 A CB -1.006 18.025 19.000 0.052 0.000 0.826 258 A HN 0.350 nan 8.150 nan 0.000 0.447 259 L N -0.156 121.114 121.223 0.079 0.000 1.951 259 L HA -0.229 4.111 4.340 0.000 0.000 0.222 259 L C 2.794 179.696 176.870 0.053 0.000 1.078 259 L CA 2.759 57.663 54.840 0.105 0.000 0.778 259 L CB -1.123 41.003 42.059 0.111 0.000 0.893 259 L HN 0.431 nan 8.230 nan 0.000 0.436 260 A N -1.855 120.978 122.820 0.021 0.000 1.954 260 A HA -0.340 3.980 4.320 0.000 0.000 0.222 260 A C 2.220 179.787 177.584 -0.029 0.000 1.199 260 A CA 2.977 55.002 52.037 -0.020 0.000 0.657 260 A CB -1.482 17.509 19.000 -0.015 0.000 0.823 260 A HN 0.652 nan 8.150 nan 0.000 0.463 261 T N 0.169 114.723 114.554 0.001 0.000 2.639 261 T HA -0.080 4.270 4.350 0.000 0.000 0.261 261 T C 1.853 176.562 174.700 0.015 0.000 1.053 261 T CA 1.300 63.401 62.100 0.002 0.000 1.158 261 T CB -0.557 68.320 68.868 0.015 0.000 0.863 261 T HN 0.350 nan 8.240 nan 0.000 0.413 262 L N 0.954 122.211 121.223 0.057 0.000 2.030 262 L HA -0.245 4.095 4.340 0.000 0.000 0.222 262 L C 2.687 179.602 176.870 0.075 0.000 1.082 262 L CA 1.450 56.354 54.840 0.108 0.000 0.785 262 L CB -1.039 41.144 42.059 0.208 0.000 0.895 262 L HN 0.160 nan 8.230 nan 0.000 0.439 263 V N -0.670 119.237 119.914 -0.010 0.000 2.222 263 V HA -0.361 3.759 4.120 0.000 0.000 0.252 263 V C 2.370 178.383 176.094 -0.134 0.000 1.060 263 V CA 2.240 64.440 62.300 -0.167 0.000 1.027 263 V CB -0.801 30.869 31.823 -0.255 0.000 0.644 263 V HN 0.283 nan 8.190 nan 0.000 0.448 264 V N 0.626 120.470 119.914 -0.116 0.000 2.317 264 V HA -0.344 3.776 4.120 0.000 0.000 0.251 264 V C 2.189 178.249 176.094 -0.057 0.000 1.065 264 V CA 2.544 64.784 62.300 -0.100 0.000 1.049 264 V CB -1.057 30.722 31.823 -0.073 0.000 0.651 264 V HN 0.620 nan 8.190 nan 0.000 0.450 265 N N 0.376 119.064 118.700 -0.021 0.000 2.109 265 N HA -0.143 4.597 4.740 0.000 0.000 0.188 265 N C 2.061 177.583 175.510 0.019 0.000 1.034 265 N CA 2.042 55.095 53.050 0.006 0.000 0.846 265 N CB -0.319 38.185 38.487 0.028 0.000 1.010 265 N HN 0.695 nan 8.380 nan 0.000 0.425 266 T N 0.046 114.627 114.554 0.044 0.000 2.759 266 T HA -0.170 4.180 4.350 0.000 0.000 0.269 266 T C 1.986 176.706 174.700 0.033 0.000 1.042 266 T CA 0.958 63.101 62.100 0.071 0.000 1.140 266 T CB -0.270 68.694 68.868 0.160 0.000 0.864 266 T HN 0.008 nan 8.240 nan 0.000 0.455 267 M N 1.456 121.047 119.600 -0.015 0.000 2.065 267 M HA 0.045 4.525 4.480 0.000 0.000 0.259 267 M C 2.126 178.411 176.300 -0.025 0.000 1.069 267 M CA 1.588 56.862 55.300 -0.043 0.000 1.110 267 M CB -0.372 32.159 32.600 -0.114 0.000 1.328 267 M HN 0.053 nan 8.290 nan 0.000 0.405 268 R N -0.021 120.465 120.500 -0.024 0.000 2.391 268 R HA 0.164 4.504 4.340 0.000 0.000 0.225 268 R C 0.772 177.071 176.300 -0.001 0.000 1.079 268 R CA 0.530 56.620 56.100 -0.016 0.000 1.147 268 R CB -0.962 29.326 30.300 -0.019 0.000 1.103 268 R HN 0.729 nan 8.270 nan 0.000 0.499 269 G N 1.136 109.941 108.800 0.008 0.000 2.258 269 G HA2 -0.299 3.661 3.960 0.000 0.000 0.274 269 G HA3 -0.299 3.661 3.960 0.000 0.000 0.274 269 G C 0.698 175.611 174.900 0.021 0.000 1.021 269 G CA 0.447 45.558 45.100 0.018 0.000 0.798 269 G HN 0.375 nan 8.290 nan 0.000 0.507 270 I N -1.193 119.390 120.570 0.021 0.000 2.094 270 I HA 0.039 4.209 4.170 0.000 0.000 0.234 270 I C 1.124 177.260 176.117 0.033 0.000 1.063 270 I CA 1.412 62.725 61.300 0.023 0.000 1.328 270 I CB -0.170 37.842 38.000 0.019 0.000 1.058 270 I HN 0.092 nan 8.210 nan 0.000 0.400 271 V N 0.612 120.552 119.914 0.043 0.000 2.686 271 V HA 0.264 4.384 4.120 0.000 0.000 0.306 271 V C -0.732 175.403 176.094 0.069 0.000 1.065 271 V CA -1.070 61.263 62.300 0.055 0.000 0.894 271 V CB 1.775 33.631 31.823 0.056 0.000 1.004 271 V HN 0.094 nan 8.190 nan 0.000 0.424 272 K N 2.857 123.299 120.400 0.070 0.000 2.349 272 K HA 0.619 4.939 4.320 0.000 0.000 0.288 272 K C -0.780 175.872 176.600 0.088 0.000 1.058 272 K CA 0.137 56.473 56.287 0.082 0.000 0.953 272 K CB 1.003 33.542 32.500 0.066 0.000 0.997 272 K HN 0.500 nan 8.250 nan 0.000 0.477 273 V N 1.632 121.615 119.914 0.116 0.000 2.808 273 V HA 0.766 4.886 4.120 0.000 0.000 0.308 273 V C -0.923 175.184 176.094 0.023 0.000 1.099 273 V CA -1.133 61.218 62.300 0.084 0.000 0.920 273 V CB 2.005 33.894 31.823 0.110 0.000 1.014 273 V HN 0.796 nan 8.190 nan 0.000 0.425 274 A N 2.716 125.408 122.820 -0.213 0.000 2.413 274 A HA 1.059 5.379 4.320 0.000 0.000 0.307 274 A C -0.504 176.715 177.584 -0.607 0.000 1.087 274 A CA -0.251 51.336 52.037 -0.750 0.000 0.750 274 A CB 2.023 20.744 19.000 -0.466 0.000 1.296 274 A HN 1.806 nan 8.150 nan 0.000 0.423 275 A N 0.469 122.758 122.820 -0.884 0.000 2.422 275 A HA 0.805 5.125 4.320 0.000 0.000 0.302 275 A C -0.749 176.748 177.584 -0.145 0.000 1.041 275 A CA -0.140 51.718 52.037 -0.297 0.000 0.708 275 A CB 1.398 20.357 19.000 -0.068 0.000 1.257 275 A HN 2.246 nan 8.150 nan 0.000 0.414 276 V N -0.708 119.192 119.914 -0.023 0.000 2.932 276 V HA 0.572 4.692 4.120 0.000 0.000 0.307 276 V C -0.432 175.716 176.094 0.090 0.000 1.147 276 V CA -1.295 61.025 62.300 0.034 0.000 0.951 276 V CB 1.323 33.151 31.823 0.008 0.000 1.031 276 V HN 0.896 nan 8.190 nan 0.000 0.426 277 K N 1.908 122.366 120.400 0.097 0.000 2.440 277 K HA 0.548 4.868 4.320 0.000 0.000 0.270 277 K C 0.554 177.258 176.600 0.174 0.000 0.980 277 K CA 0.525 56.881 56.287 0.114 0.000 0.953 277 K CB 0.759 33.316 32.500 0.095 0.000 0.925 277 K HN 1.130 nan 8.250 nan 0.000 0.497 278 A N 3.766 126.665 122.820 0.133 0.000 2.371 278 A HA 0.268 4.588 4.320 0.000 0.000 0.257 278 A C -2.144 175.519 177.584 0.132 0.000 1.089 278 A CA -1.302 50.799 52.037 0.107 0.000 0.794 278 A CB -0.187 18.839 19.000 0.043 0.000 1.029 278 A HN 0.456 nan 8.150 nan 0.000 0.488 279 P HA 0.385 nan 4.420 nan 0.000 0.276 279 P C 0.751 178.105 177.300 0.089 0.000 1.235 279 P CA 1.515 64.690 63.100 0.124 0.000 0.772 279 P CB 0.650 32.336 31.700 -0.024 0.000 0.871 280 G N 3.104 111.993 108.800 0.148 0.000 2.553 280 G HA2 -0.058 3.902 3.960 0.000 0.000 0.242 280 G HA3 -0.058 3.902 3.960 0.000 0.000 0.242 280 G C -0.718 174.363 174.900 0.301 0.000 1.277 280 G CA 0.167 45.387 45.100 0.200 0.000 0.910 280 G HN 0.751 nan 8.290 nan 0.000 0.576 281 F N -2.945 117.022 119.950 0.028 0.000 3.052 281 F HA 0.738 5.265 4.527 0.000 0.000 0.323 281 F C 1.067 176.881 175.800 0.023 0.000 1.178 281 F CA 0.764 58.779 58.000 0.025 0.000 0.892 281 F CB 0.624 39.642 39.000 0.030 0.000 1.416 281 F HN 2.556 nan 8.300 nan 0.000 0.488 282 G N 1.111 109.750 108.800 -0.268 0.000 2.556 282 G HA2 -0.281 3.679 3.960 0.000 0.000 0.283 282 G HA3 -0.281 3.679 3.960 0.000 0.000 0.283 282 G C 0.346 175.127 174.900 -0.198 0.000 1.177 282 G CA 0.640 45.528 45.100 -0.353 0.000 0.978 282 G HN 0.941 nan 8.290 nan 0.000 0.554 283 D N 1.076 121.348 120.400 -0.212 0.000 2.091 283 D HA -0.066 4.574 4.640 0.000 0.000 0.199 283 D C 2.618 178.844 176.300 -0.123 0.000 0.980 283 D CA 1.569 55.492 54.000 -0.129 0.000 0.831 283 D CB -0.134 40.601 40.800 -0.109 0.000 0.987 283 D HN 0.609 nan 8.370 nan 0.000 0.460 284 R N 1.466 121.873 120.500 -0.155 0.000 2.139 284 R HA -0.107 4.233 4.340 0.000 0.000 0.243 284 R C 2.264 178.504 176.300 -0.101 0.000 1.145 284 R CA 0.919 56.944 56.100 -0.125 0.000 0.976 284 R CB -0.558 29.661 30.300 -0.135 0.000 0.866 284 R HN 0.075 nan 8.270 nan 0.000 0.449 285 R N 1.858 122.301 120.500 -0.094 0.000 2.115 285 R HA -0.226 4.114 4.340 0.000 0.000 0.239 285 R C 1.672 177.937 176.300 -0.058 0.000 1.133 285 R CA 2.477 58.545 56.100 -0.052 0.000 0.935 285 R CB -0.155 30.140 30.300 -0.009 0.000 0.853 285 R HN 0.339 nan 8.270 nan 0.000 0.433 286 K N -0.212 120.156 120.400 -0.052 0.000 2.063 286 K HA -0.111 4.209 4.320 0.000 0.000 0.208 286 K C 2.177 178.743 176.600 -0.056 0.000 1.048 286 K CA 1.578 57.837 56.287 -0.046 0.000 0.928 286 K CB -0.222 32.255 32.500 -0.037 0.000 0.713 286 K HN 0.286 nan 8.250 nan 0.000 0.442 287 A N 1.207 123.989 122.820 -0.065 0.000 1.898 287 A HA -0.095 4.226 4.320 0.000 0.000 0.216 287 A C 2.159 179.695 177.584 -0.080 0.000 1.181 287 A CA 1.284 53.281 52.037 -0.067 0.000 0.620 287 A CB -0.405 18.554 19.000 -0.067 0.000 0.819 287 A HN 0.180 nan 8.150 nan 0.000 0.442 288 M N -1.073 118.471 119.600 -0.094 0.000 2.175 288 M HA -0.059 4.421 4.480 0.000 0.000 0.264 288 M C 2.216 178.424 176.300 -0.153 0.000 1.063 288 M CA 1.235 56.461 55.300 -0.123 0.000 1.119 288 M CB -0.303 32.218 32.600 -0.130 0.000 1.377 288 M HN 0.496 nan 8.290 nan 0.000 0.415 289 L N 0.094 121.238 121.223 -0.131 0.000 2.046 289 L HA -0.271 4.069 4.340 0.000 0.000 0.208 289 L C 2.587 179.400 176.870 -0.096 0.000 1.077 289 L CA 1.491 56.255 54.840 -0.125 0.000 0.747 289 L CB -0.294 41.717 42.059 -0.081 0.000 0.896 289 L HN 0.295 nan 8.230 nan 0.000 0.432 290 Q N 0.178 119.933 119.800 -0.075 0.000 2.096 290 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 290 Q C 1.692 177.656 176.000 -0.061 0.000 0.982 290 Q CA 2.232 58.000 55.803 -0.058 0.000 0.850 290 Q CB -0.346 28.363 28.738 -0.049 0.000 0.901 290 Q HN 0.475 nan 8.270 nan 0.000 0.422 291 D N -0.074 120.280 120.400 -0.076 0.000 2.123 291 D HA -0.170 4.470 4.640 0.000 0.000 0.196 291 D C 1.930 178.184 176.300 -0.076 0.000 0.992 291 D CA 1.521 55.477 54.000 -0.073 0.000 0.833 291 D CB -0.239 40.510 40.800 -0.086 0.000 0.954 291 D HN 0.409 nan 8.370 nan 0.000 0.455 292 I N 1.248 121.755 120.570 -0.106 0.000 2.286 292 I HA -0.251 3.919 4.170 0.000 0.000 0.248 292 I C 2.531 178.616 176.117 -0.053 0.000 1.115 292 I CA 0.903 62.141 61.300 -0.103 0.000 1.392 292 I CB -0.203 37.696 38.000 -0.169 0.000 1.065 292 I HN -0.077 nan 8.210 nan 0.000 0.418 293 A N 0.736 123.529 122.820 -0.046 0.000 1.858 293 A HA -0.219 4.101 4.320 0.000 0.000 0.216 293 A C 2.415 179.989 177.584 -0.015 0.000 1.190 293 A CA 2.575 54.599 52.037 -0.022 0.000 0.617 293 A CB -1.222 17.765 19.000 -0.022 0.000 0.827 293 A HN 0.394 nan 8.150 nan 0.000 0.443 294 T N 0.658 115.198 114.554 -0.023 0.000 2.635 294 T HA -0.177 4.173 4.350 0.000 0.000 0.267 294 T C 1.831 176.523 174.700 -0.013 0.000 1.040 294 T CA 1.427 63.517 62.100 -0.017 0.000 1.156 294 T CB -0.458 68.396 68.868 -0.023 0.000 0.863 294 T HN 0.246 nan 8.240 nan 0.000 0.430 295 L N 1.827 123.040 121.223 -0.017 0.000 2.079 295 L HA -0.098 4.242 4.340 0.000 0.000 0.210 295 L C 2.329 179.198 176.870 -0.002 0.000 1.081 295 L CA 2.401 57.235 54.840 -0.010 0.000 0.752 295 L CB -1.442 40.609 42.059 -0.013 0.000 0.896 295 L HN 0.537 nan 8.230 nan 0.000 0.433 296 T N -4.529 110.026 114.554 0.001 0.000 3.069 296 T HA 0.275 4.625 4.350 0.000 0.000 0.252 296 T C 1.233 175.946 174.700 0.022 0.000 1.053 296 T CA 0.371 62.479 62.100 0.013 0.000 0.964 296 T CB 0.067 68.947 68.868 0.020 0.000 1.005 296 T HN 0.481 nan 8.240 nan 0.000 0.532 297 G N 0.695 109.504 108.800 0.015 0.000 2.295 297 G HA2 0.064 4.024 3.960 0.000 0.000 0.287 297 G HA3 0.064 4.024 3.960 0.000 0.000 0.287 297 G C 0.300 175.218 174.900 0.029 0.000 1.055 297 G CA -0.130 44.981 45.100 0.020 0.000 0.922 297 G HN 1.038 nan 8.290 nan 0.000 0.503 298 G N -1.718 107.096 108.800 0.024 0.000 2.735 298 G HA2 0.804 4.764 3.960 0.000 0.000 0.301 298 G HA3 0.804 4.764 3.960 0.000 0.000 0.301 298 G C -0.459 174.447 174.900 0.010 0.000 1.279 298 G CA 0.102 45.218 45.100 0.026 0.000 1.019 298 G HN 0.609 nan 8.290 nan 0.000 0.497 299 T N 0.363 114.921 114.554 0.006 0.000 2.797 299 T HA 0.437 4.787 4.350 0.000 0.000 0.279 299 T C 0.157 174.854 174.700 -0.005 0.000 0.991 299 T CA -0.281 61.818 62.100 -0.002 0.000 0.979 299 T CB 1.679 70.544 68.868 -0.004 0.000 0.943 299 T HN 0.356 nan 8.240 nan 0.000 0.444 300 V N 4.476 124.384 119.914 -0.010 0.000 2.585 300 V HA 0.185 4.305 4.120 0.000 0.000 0.296 300 V C 0.287 176.376 176.094 -0.009 0.000 1.035 300 V CA 0.025 62.318 62.300 -0.012 0.000 1.084 300 V CB 0.071 31.884 31.823 -0.018 0.000 0.953 300 V HN 0.757 nan 8.190 nan 0.000 0.483 301 I N 5.316 125.883 120.570 -0.006 0.000 2.412 301 I HA 0.301 4.471 4.170 0.000 0.000 0.279 301 I C 0.312 176.428 176.117 -0.002 0.000 1.063 301 I CA 0.138 61.436 61.300 -0.004 0.000 1.193 301 I CB 0.903 38.901 38.000 -0.003 0.000 1.370 301 I HN 0.736 nan 8.210 nan 0.000 0.479 302 S N 2.441 118.139 115.700 -0.003 0.000 2.621 302 S HA 0.460 4.930 4.470 0.000 0.000 0.302 302 S C 0.475 175.075 174.600 -0.000 0.000 1.093 302 S CA -0.831 57.368 58.200 -0.001 0.000 1.017 302 S CB 1.947 65.144 63.200 -0.004 0.000 1.077 302 S HN 0.551 nan 8.310 nan 0.000 0.517 303 E N 0.509 120.710 120.200 0.002 0.000 2.435 303 E HA -0.023 4.327 4.350 0.000 0.000 0.195 303 E C 0.964 177.565 176.600 0.001 0.000 1.029 303 E CA 0.428 56.830 56.400 0.002 0.000 0.865 303 E CB -0.075 29.628 29.700 0.005 0.000 0.833 303 E HN 0.785 nan 8.360 nan 0.000 0.510 304 E N 0.586 120.786 120.200 -0.000 0.000 2.418 304 E HA -0.060 4.290 4.350 0.000 0.000 0.197 304 E C 1.185 177.783 176.600 -0.003 0.000 1.026 304 E CA 0.599 56.998 56.400 -0.002 0.000 0.862 304 E CB 0.075 29.773 29.700 -0.003 0.000 0.799 304 E HN 0.362 nan 8.360 nan 0.000 0.518 305 I N -0.258 120.310 120.570 -0.004 0.000 3.974 305 I HA 0.211 4.381 4.170 0.000 0.000 0.334 305 I C 0.803 176.918 176.117 -0.004 0.000 1.437 305 I CA -0.200 61.097 61.300 -0.005 0.000 1.113 305 I CB 0.609 38.606 38.000 -0.006 0.000 1.063 305 I HN 0.046 nan 8.210 nan 0.000 0.400 306 G N 2.274 111.073 108.800 -0.002 0.000 2.298 306 G HA2 -0.259 3.701 3.960 0.000 0.000 0.287 306 G HA3 -0.259 3.701 3.960 0.000 0.000 0.287 306 G C -0.105 174.794 174.900 -0.003 0.000 1.075 306 G CA 0.041 45.140 45.100 -0.002 0.000 0.960 306 G HN 0.330 nan 8.290 nan 0.000 0.502 307 M N -0.515 119.083 119.600 -0.002 0.000 2.578 307 M HA 0.647 5.127 4.480 0.000 0.000 0.321 307 M C 0.047 176.346 176.300 -0.002 0.000 1.182 307 M CA -0.617 54.681 55.300 -0.003 0.000 0.965 307 M CB 1.961 34.558 32.600 -0.005 0.000 1.694 307 M HN 0.275 nan 8.290 nan 0.000 0.461 308 E N 1.150 121.349 120.200 -0.003 0.000 2.312 308 E HA 0.373 4.723 4.350 0.000 0.000 0.267 308 E C 0.113 176.711 176.600 -0.003 0.000 0.894 308 E CA -0.729 55.670 56.400 -0.001 0.000 0.773 308 E CB 2.156 31.856 29.700 -0.001 0.000 1.241 308 E HN 0.607 nan 8.360 nan 0.000 0.432 309 L N 0.956 122.179 121.223 -0.001 0.000 2.187 309 L HA -0.202 4.138 4.340 0.000 0.000 0.213 309 L C 1.614 178.480 176.870 -0.007 0.000 1.100 309 L CA 1.209 56.048 54.840 -0.003 0.000 0.765 309 L CB -0.384 41.677 42.059 0.003 0.000 0.904 309 L HN 0.592 nan 8.230 nan 0.000 0.437 310 E N 0.560 120.756 120.200 -0.006 0.000 2.072 310 E HA -0.133 4.217 4.350 0.000 0.000 0.191 310 E C 0.936 177.528 176.600 -0.013 0.000 0.985 310 E CA 1.042 57.437 56.400 -0.008 0.000 0.801 310 E CB -0.001 29.696 29.700 -0.005 0.000 0.750 310 E HN 0.302 nan 8.360 nan 0.000 0.452 311 K N 0.503 120.896 120.400 -0.012 0.000 3.001 311 K HA 0.413 4.733 4.320 0.000 0.000 0.257 311 K C -0.952 175.636 176.600 -0.019 0.000 1.290 311 K CA -0.224 56.054 56.287 -0.015 0.000 1.252 311 K CB 0.807 33.300 32.500 -0.011 0.000 1.656 311 K HN -0.027 nan 8.250 nan 0.000 0.351 312 A N 1.369 124.174 122.820 -0.025 0.000 2.375 312 A HA 0.314 4.634 4.320 0.000 0.000 0.291 312 A C 0.130 177.684 177.584 -0.050 0.000 1.160 312 A CA -0.735 51.282 52.037 -0.032 0.000 0.747 312 A CB 0.542 19.525 19.000 -0.028 0.000 1.170 312 A HN 0.343 nan 8.150 nan 0.000 0.458 313 T N 0.108 114.629 114.554 -0.055 0.000 2.862 313 T HA 0.475 4.825 4.350 0.000 0.000 0.276 313 T C 1.322 175.951 174.700 -0.117 0.000 0.974 313 T CA -0.624 61.429 62.100 -0.078 0.000 0.966 313 T CB 0.377 69.208 68.868 -0.061 0.000 1.072 313 T HN 0.358 nan 8.240 nan 0.000 0.538 314 L N -0.021 121.095 121.223 -0.178 0.000 2.197 314 L HA -0.133 4.207 4.340 0.000 0.000 0.215 314 L C 2.920 179.673 176.870 -0.194 0.000 1.095 314 L CA 1.702 56.355 54.840 -0.312 0.000 0.764 314 L CB -0.560 41.260 42.059 -0.399 0.000 0.897 314 L HN 0.857 nan 8.230 nan 0.000 0.436 315 E N -0.159 119.985 120.200 -0.094 0.000 2.347 315 E HA -0.179 4.171 4.350 0.000 0.000 0.196 315 E C 1.096 177.687 176.600 -0.015 0.000 1.008 315 E CA 0.702 57.084 56.400 -0.030 0.000 0.852 315 E CB 0.184 29.873 29.700 -0.018 0.000 0.783 315 E HN 0.548 nan 8.360 nan 0.000 0.505 316 D N 0.170 120.550 120.400 -0.032 0.000 2.347 316 D HA -0.032 4.608 4.640 0.000 0.000 0.213 316 D C 0.097 176.396 176.300 -0.001 0.000 0.985 316 D CA 0.238 54.229 54.000 -0.016 0.000 0.879 316 D CB 0.346 41.133 40.800 -0.023 0.000 0.919 316 D HN 0.131 nan 8.370 nan 0.000 0.526 317 L N 1.103 122.324 121.223 -0.003 0.000 2.326 317 L HA 0.317 4.657 4.340 0.000 0.000 0.278 317 L C 1.363 178.306 176.870 0.121 0.000 1.092 317 L CA -0.196 54.673 54.840 0.048 0.000 0.810 317 L CB 1.313 43.382 42.059 0.017 0.000 1.153 317 L HN -0.152 nan 8.230 nan 0.000 0.439 318 G N 1.743 110.610 108.800 0.110 0.000 2.684 318 G HA2 0.377 4.337 3.960 0.000 0.000 0.255 318 G HA3 0.377 4.337 3.960 0.000 0.000 0.255 318 G C -0.795 174.197 174.900 0.153 0.000 1.219 318 G CA -0.177 44.985 45.100 0.103 0.000 0.901 318 G HN 0.597 nan 8.290 nan 0.000 0.548 319 Q N -1.661 118.185 119.800 0.077 0.000 2.377 319 Q HA 0.597 4.937 4.340 0.000 0.000 0.279 319 Q C -0.782 175.204 176.000 -0.024 0.000 1.049 319 Q CA -0.691 55.114 55.803 0.003 0.000 0.825 319 Q CB 2.090 30.805 28.738 -0.039 0.000 1.401 319 Q HN 0.948 nan 8.270 nan 0.000 0.404 320 A N 1.924 124.710 122.820 -0.057 0.000 2.504 320 A HA 0.546 4.866 4.320 0.000 0.000 0.285 320 A C -0.564 176.981 177.584 -0.065 0.000 1.261 320 A CA -0.535 51.477 52.037 -0.041 0.000 0.741 320 A CB 1.458 20.449 19.000 -0.014 0.000 1.327 320 A HN 0.781 nan 8.150 nan 0.000 0.441 321 K N -0.811 119.563 120.400 -0.044 0.000 2.284 321 K HA 0.193 4.513 4.320 0.000 0.000 0.198 321 K C 0.336 176.913 176.600 -0.039 0.000 1.048 321 K CA 0.782 57.041 56.287 -0.046 0.000 0.987 321 K CB 0.318 32.799 32.500 -0.032 0.000 0.800 321 K HN 0.511 nan 8.250 nan 0.000 0.486 322 R N -0.009 120.476 120.500 -0.026 0.000 2.629 322 R HA 0.263 4.603 4.340 0.000 0.000 0.266 322 R C -1.775 174.521 176.300 -0.007 0.000 1.051 322 R CA -0.595 55.495 56.100 -0.017 0.000 0.895 322 R CB 2.362 32.655 30.300 -0.012 0.000 1.246 322 R HN -0.079 nan 8.270 nan 0.000 0.459 323 V N -0.778 119.133 119.914 -0.005 0.000 2.971 323 V HA 0.855 4.975 4.120 0.000 0.000 0.309 323 V C -1.191 174.900 176.094 -0.005 0.000 1.130 323 V CA -0.718 61.583 62.300 0.001 0.000 0.964 323 V CB 2.249 34.077 31.823 0.008 0.000 1.029 323 V HN 0.420 nan 8.190 nan 0.000 0.427 324 V N 4.430 124.336 119.914 -0.014 0.000 2.841 324 V HA 0.685 4.805 4.120 0.000 0.000 0.310 324 V C -0.500 175.566 176.094 -0.046 0.000 1.090 324 V CA -0.341 61.949 62.300 -0.017 0.000 0.930 324 V CB 1.859 33.673 31.823 -0.015 0.000 1.014 324 V HN 1.183 nan 8.190 nan 0.000 0.425 325 I N 0.933 121.490 120.570 -0.022 0.000 2.534 325 I HA 0.668 4.838 4.170 0.000 0.000 0.288 325 I C -0.726 175.382 176.117 -0.014 0.000 1.077 325 I CA -0.432 60.834 61.300 -0.057 0.000 1.051 325 I CB 2.128 40.095 38.000 -0.056 0.000 1.234 325 I HN 0.478 nan 8.210 nan 0.000 0.425 326 N N 4.961 123.588 118.700 -0.123 0.000 2.566 326 N HA 0.209 4.949 4.740 0.000 0.000 0.299 326 N C 0.697 175.938 175.510 -0.449 0.000 1.277 326 N CA -0.659 52.312 53.050 -0.132 0.000 0.965 326 N CB 0.890 39.308 38.487 -0.115 0.000 1.142 326 N HN 0.704 nan 8.380 nan 0.000 0.596 327 K N 0.182 120.337 120.400 -0.408 0.000 2.189 327 K HA -0.221 4.099 4.320 0.000 0.000 0.207 327 K C -0.499 175.783 176.600 -0.532 0.000 1.046 327 K CA 2.356 58.292 56.287 -0.586 0.000 0.928 327 K CB -0.054 32.337 32.500 -0.181 0.000 0.720 327 K HN 0.647 nan 8.250 nan 0.000 0.458 328 D N -2.153 118.040 120.400 -0.345 0.000 2.848 328 D HA 0.085 4.725 4.640 0.000 0.000 0.303 328 D C -1.026 175.140 176.300 -0.224 0.000 1.665 328 D CA -0.420 53.431 54.000 -0.249 0.000 0.807 328 D CB 0.761 41.467 40.800 -0.157 0.000 1.288 328 D HN -0.148 nan 8.370 nan 0.000 0.441 329 T N 0.452 114.850 114.554 -0.260 0.000 3.078 329 T HA 0.406 4.756 4.350 0.000 0.000 0.328 329 T C -0.764 173.739 174.700 -0.329 0.000 0.987 329 T CA -0.348 61.593 62.100 -0.265 0.000 1.049 329 T CB 1.539 70.305 68.868 -0.171 0.000 1.011 329 T HN -0.070 nan 8.240 nan 0.000 0.463 330 T N 2.946 117.159 114.554 -0.567 0.000 2.837 330 T HA 0.667 5.017 4.350 0.000 0.000 0.285 330 T C 0.171 174.561 174.700 -0.517 0.000 0.984 330 T CA -0.458 61.271 62.100 -0.617 0.000 1.049 330 T CB 1.354 69.692 68.868 -0.884 0.000 0.947 330 T HN 0.594 nan 8.240 nan 0.000 0.472 331 T N 2.323 116.762 114.554 -0.192 0.000 2.971 331 T HA 0.646 4.996 4.350 0.000 0.000 0.304 331 T C -1.242 173.483 174.700 0.042 0.000 1.038 331 T CA -0.739 61.344 62.100 -0.028 0.000 1.007 331 T CB 0.402 69.249 68.868 -0.035 0.000 1.055 331 T HN 0.423 nan 8.240 nan 0.000 0.451 332 I N 5.507 126.139 120.570 0.103 0.000 2.355 332 I HA 0.479 4.649 4.170 0.000 0.000 0.288 332 I C -0.246 175.900 176.117 0.048 0.000 0.999 332 I CA -0.780 60.566 61.300 0.078 0.000 1.163 332 I CB 1.566 39.628 38.000 0.103 0.000 1.316 332 I HN 0.584 nan 8.210 nan 0.000 0.454 333 I N 5.234 125.819 120.570 0.025 0.000 2.359 333 I HA 0.304 4.474 4.170 0.000 0.000 0.294 333 I C -0.396 175.725 176.117 0.007 0.000 0.987 333 I CA -0.463 60.846 61.300 0.014 0.000 1.225 333 I CB 1.037 39.041 38.000 0.006 0.000 1.366 333 I HN 0.595 nan 8.210 nan 0.000 0.466 334 D N 4.429 124.832 120.400 0.005 0.000 4.044 334 D HA -0.098 4.542 4.640 0.000 0.000 0.242 334 D C 0.097 176.394 176.300 -0.004 0.000 1.076 334 D CA 0.973 54.972 54.000 -0.001 0.000 1.171 334 D CB -0.143 40.653 40.800 -0.006 0.000 0.866 334 D HN 0.850 nan 8.370 nan 0.000 0.413 335 G N 0.741 109.541 108.800 -0.000 0.000 2.537 335 G HA2 0.417 4.377 3.960 0.000 0.000 0.273 335 G HA3 0.417 4.377 3.960 0.000 0.000 0.273 335 G C 1.263 176.161 174.900 -0.004 0.000 1.189 335 G CA -0.419 44.680 45.100 -0.001 0.000 0.881 335 G HN 0.381 nan 8.290 nan 0.000 0.535 336 V N 1.095 121.007 119.914 -0.003 0.000 3.129 336 V HA 0.097 4.217 4.120 0.000 0.000 0.259 336 V C 2.059 178.156 176.094 0.005 0.000 1.116 336 V CA 0.908 63.208 62.300 -0.000 0.000 1.127 336 V CB -0.661 31.164 31.823 0.003 0.000 0.742 336 V HN 0.812 nan 8.190 nan 0.000 0.474 337 G N 1.098 109.902 108.800 0.006 0.000 2.265 337 G HA2 0.085 4.045 3.960 0.000 0.000 0.240 337 G HA3 0.085 4.045 3.960 0.000 0.000 0.240 337 G C -0.153 174.748 174.900 0.001 0.000 1.270 337 G CA -0.144 44.958 45.100 0.004 0.000 0.901 337 G HN 0.532 nan 8.290 nan 0.000 0.507 338 E N 1.794 121.995 120.200 0.002 0.000 2.331 338 E HA 0.099 4.449 4.350 0.000 0.000 0.272 338 E C 0.603 177.202 176.600 -0.002 0.000 1.036 338 E CA -0.240 56.160 56.400 0.000 0.000 0.864 338 E CB 1.612 31.313 29.700 0.001 0.000 1.035 338 E HN 0.660 nan 8.360 nan 0.000 0.408 339 E N 1.510 121.709 120.200 -0.003 0.000 2.463 339 E HA -0.193 4.157 4.350 0.000 0.000 0.201 339 E C 1.448 178.045 176.600 -0.004 0.000 1.045 339 E CA 0.596 56.993 56.400 -0.004 0.000 0.872 339 E CB -0.003 29.695 29.700 -0.003 0.000 0.797 339 E HN 0.570 nan 8.360 nan 0.000 0.538 340 A N 1.556 124.374 122.820 -0.004 0.000 1.841 340 A HA -0.062 4.258 4.320 0.000 0.000 0.214 340 A C 2.413 179.994 177.584 -0.005 0.000 1.195 340 A CA 1.474 53.508 52.037 -0.004 0.000 0.611 340 A CB -0.761 18.238 19.000 -0.003 0.000 0.835 340 A HN 0.316 nan 8.150 nan 0.000 0.443 341 A N 0.024 122.841 122.820 -0.005 0.000 1.877 341 A HA -0.101 4.219 4.320 0.000 0.000 0.216 341 A C 2.140 179.718 177.584 -0.009 0.000 1.186 341 A CA 1.624 53.657 52.037 -0.007 0.000 0.620 341 A CB -0.755 18.242 19.000 -0.005 0.000 0.822 341 A HN 0.512 nan 8.150 nan 0.000 0.443 342 I N -1.052 119.513 120.570 -0.009 0.000 2.076 342 I HA -0.318 3.852 4.170 0.000 0.000 0.237 342 I C 2.757 178.867 176.117 -0.012 0.000 1.059 342 I CA 1.998 63.292 61.300 -0.011 0.000 1.317 342 I CB -0.527 37.468 38.000 -0.009 0.000 1.037 342 I HN 0.338 nan 8.210 nan 0.000 0.398 343 Q N 1.249 121.043 119.800 -0.010 0.000 2.234 343 Q HA -0.133 4.207 4.340 0.000 0.000 0.206 343 Q C 1.942 177.936 176.000 -0.011 0.000 0.980 343 Q CA 1.870 57.667 55.803 -0.010 0.000 0.869 343 Q CB -0.684 28.049 28.738 -0.008 0.000 0.912 343 Q HN 0.555 nan 8.270 nan 0.000 0.436 344 G N 0.063 108.856 108.800 -0.011 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 1.464 176.355 174.900 -0.014 0.000 1.219 344 G CA 0.887 45.980 45.100 -0.011 0.000 0.791 344 G HN 0.379 nan 8.290 nan 0.000 0.550 345 R N 0.230 120.720 120.500 -0.016 0.000 2.117 345 R HA -0.054 4.286 4.340 0.000 0.000 0.243 345 R C 2.542 178.828 176.300 -0.022 0.000 1.143 345 R CA 1.671 57.759 56.100 -0.020 0.000 0.968 345 R CB -0.955 29.332 30.300 -0.023 0.000 0.863 345 R HN 0.243 nan 8.270 nan 0.000 0.444 346 V N 0.600 120.502 119.914 -0.020 0.000 2.295 346 V HA -0.217 3.903 4.120 0.000 0.000 0.246 346 V C 2.296 178.378 176.094 -0.020 0.000 1.049 346 V CA 2.004 64.292 62.300 -0.020 0.000 1.024 346 V CB -0.948 30.865 31.823 -0.017 0.000 0.648 346 V HN 0.567 nan 8.190 nan 0.000 0.447 347 A N -1.271 121.539 122.820 -0.017 0.000 2.121 347 A HA -0.212 4.108 4.320 0.000 0.000 0.218 347 A C 2.155 179.729 177.584 -0.017 0.000 1.154 347 A CA 1.436 53.463 52.037 -0.016 0.000 0.679 347 A CB -0.330 18.663 19.000 -0.013 0.000 0.795 347 A HN 0.660 nan 8.150 nan 0.000 0.458 348 Q N -0.572 119.216 119.800 -0.019 0.000 2.033 348 Q HA -0.017 4.324 4.340 0.000 0.000 0.196 348 Q C 1.846 177.832 176.000 -0.025 0.000 0.970 348 Q CA 1.403 57.193 55.803 -0.021 0.000 0.828 348 Q CB -0.249 28.476 28.738 -0.022 0.000 0.895 348 Q HN 0.758 nan 8.270 nan 0.000 0.440 349 I N 0.368 120.921 120.570 -0.028 0.000 2.614 349 I HA -0.198 3.972 4.170 0.000 0.000 0.258 349 I C 2.379 178.478 176.117 -0.030 0.000 1.189 349 I CA 0.681 61.961 61.300 -0.033 0.000 1.462 349 I CB -0.192 37.785 38.000 -0.038 0.000 1.092 349 I HN 0.063 nan 8.210 nan 0.000 0.442 350 R N 1.095 121.580 120.500 -0.025 0.000 2.115 350 R HA -0.138 4.202 4.340 0.000 0.000 0.230 350 R C 2.032 178.319 176.300 -0.021 0.000 1.111 350 R CA 1.357 57.444 56.100 -0.022 0.000 0.976 350 R CB -0.006 30.283 30.300 -0.018 0.000 0.870 350 R HN 0.429 nan 8.270 nan 0.000 0.445 351 Q N -0.862 118.926 119.800 -0.021 0.000 2.360 351 Q HA 0.004 4.344 4.340 0.000 0.000 0.202 351 Q C 1.494 177.481 176.000 -0.022 0.000 0.915 351 Q CA 0.178 55.969 55.803 -0.019 0.000 0.943 351 Q CB 0.684 29.412 28.738 -0.016 0.000 1.064 351 Q HN 0.408 nan 8.270 nan 0.000 0.511 352 Q N 0.311 120.095 119.800 -0.027 0.000 2.096 352 Q HA -0.077 4.263 4.340 0.000 0.000 0.197 352 Q C 2.051 178.032 176.000 -0.032 0.000 0.964 352 Q CA 0.962 56.746 55.803 -0.032 0.000 0.838 352 Q CB 0.015 28.730 28.738 -0.040 0.000 0.906 352 Q HN 0.462 nan 8.270 nan 0.000 0.444 353 I N 1.496 122.046 120.570 -0.032 0.000 2.226 353 I HA -0.248 3.922 4.170 0.000 0.000 0.245 353 I C 2.176 178.279 176.117 -0.022 0.000 1.100 353 I CA 1.031 62.312 61.300 -0.031 0.000 1.374 353 I CB -0.421 37.561 38.000 -0.030 0.000 1.057 353 I HN 0.095 nan 8.210 nan 0.000 0.413 354 E N 1.378 121.567 120.200 -0.019 0.000 2.118 354 E HA -0.231 4.119 4.350 0.000 0.000 0.195 354 E C 1.539 178.131 176.600 -0.012 0.000 0.992 354 E CA 1.498 57.890 56.400 -0.014 0.000 0.804 354 E CB -0.320 29.373 29.700 -0.013 0.000 0.741 354 E HN 0.677 nan 8.360 nan 0.000 0.458 355 E N 0.017 120.209 120.200 -0.014 0.000 2.501 355 E HA 0.305 4.655 4.350 0.000 0.000 0.201 355 E C -0.009 176.583 176.600 -0.013 0.000 1.016 355 E CA -0.030 56.363 56.400 -0.012 0.000 0.920 355 E CB 0.805 30.497 29.700 -0.012 0.000 1.023 355 E HN 0.042 nan 8.360 nan 0.000 0.474 356 A N 1.893 124.703 122.820 -0.017 0.000 2.541 356 A HA 0.072 4.392 4.320 0.000 0.000 0.293 356 A C 1.383 178.963 177.584 -0.007 0.000 1.307 356 A CA -0.043 51.983 52.037 -0.018 0.000 0.978 356 A CB -0.503 18.480 19.000 -0.029 0.000 1.111 356 A HN 0.268 nan 8.150 nan 0.000 0.535 357 T N 0.001 114.555 114.554 -0.001 0.000 3.118 357 T HA 0.104 4.454 4.350 0.000 0.000 0.260 357 T C 0.977 175.686 174.700 0.014 0.000 1.139 357 T CA 0.889 62.993 62.100 0.006 0.000 1.085 357 T CB -0.077 68.795 68.868 0.007 0.000 0.934 357 T HN 0.496 nan 8.240 nan 0.000 0.518 358 S N -0.455 115.256 115.700 0.018 0.000 2.747 358 S HA 0.390 4.860 4.470 0.000 0.000 0.300 358 S C 0.331 174.953 174.600 0.036 0.000 1.121 358 S CA -0.735 57.487 58.200 0.036 0.000 0.995 358 S CB 1.444 64.678 63.200 0.056 0.000 1.113 358 S HN 0.130 nan 8.310 nan 0.000 0.547 359 D N 0.121 120.558 120.400 0.062 0.000 2.290 359 D HA 0.015 4.655 4.640 0.000 0.000 0.224 359 D C 1.401 177.751 176.300 0.083 0.000 0.967 359 D CA 0.946 54.983 54.000 0.061 0.000 0.893 359 D CB -0.423 40.417 40.800 0.067 0.000 1.037 359 D HN 0.655 nan 8.370 nan 0.000 0.477 360 Y N 2.045 122.345 120.300 -0.000 0.000 2.315 360 Y HA -0.179 4.371 4.550 0.000 0.000 0.288 360 Y C 1.257 177.153 175.900 -0.007 0.000 1.154 360 Y CA 1.569 59.669 58.100 0.000 0.000 1.229 360 Y CB -0.156 38.308 38.460 0.006 0.000 0.980 360 Y HN -0.115 nan 8.280 nan 0.000 0.540 361 D N -0.584 119.764 120.400 -0.086 0.000 2.219 361 D HA -0.108 4.532 4.640 0.000 0.000 0.205 361 D C 2.123 178.340 176.300 -0.138 0.000 0.970 361 D CA 0.993 54.910 54.000 -0.139 0.000 0.851 361 D CB -0.055 40.722 40.800 -0.039 0.000 0.943 361 D HN 0.276 nan 8.370 nan 0.000 0.488 362 R N 0.269 120.712 120.500 -0.095 0.000 2.127 362 R HA -0.058 4.282 4.340 0.000 0.000 0.217 362 R C 1.631 177.874 176.300 -0.094 0.000 1.074 362 R CA 0.677 56.733 56.100 -0.074 0.000 0.991 362 R CB 0.266 30.542 30.300 -0.039 0.000 0.895 362 R HN 0.075 nan 8.270 nan 0.000 0.450 363 E N 1.091 121.217 120.200 -0.122 0.000 2.023 363 E HA -0.208 4.142 4.350 0.000 0.000 0.196 363 E C 1.777 178.296 176.600 -0.135 0.000 1.003 363 E CA 1.173 57.504 56.400 -0.115 0.000 0.809 363 E CB -0.189 29.444 29.700 -0.112 0.000 0.755 363 E HN 0.142 nan 8.360 nan 0.000 0.449 364 K N 0.916 121.185 120.400 -0.219 0.000 2.063 364 K HA -0.064 4.256 4.320 0.000 0.000 0.208 364 K C 2.514 179.039 176.600 -0.124 0.000 1.048 364 K CA 0.740 56.916 56.287 -0.185 0.000 0.928 364 K CB -0.788 31.558 32.500 -0.257 0.000 0.713 364 K HN 0.183 nan 8.250 nan 0.000 0.442 365 L N 1.004 122.154 121.223 -0.122 0.000 2.017 365 L HA -0.228 4.112 4.340 0.000 0.000 0.208 365 L C 2.670 179.501 176.870 -0.066 0.000 1.073 365 L CA 1.402 56.190 54.840 -0.087 0.000 0.745 365 L CB -0.512 41.500 42.059 -0.079 0.000 0.894 365 L HN 0.233 nan 8.230 nan 0.000 0.432 366 Q N -0.169 119.593 119.800 -0.063 0.000 2.135 366 Q HA -0.237 4.103 4.340 0.000 0.000 0.204 366 Q C 2.128 178.103 176.000 -0.041 0.000 0.981 366 Q CA 1.594 57.369 55.803 -0.047 0.000 0.856 366 Q CB -0.066 28.645 28.738 -0.045 0.000 0.902 366 Q HN 0.515 nan 8.270 nan 0.000 0.425 367 E N 0.344 120.516 120.200 -0.046 0.000 2.038 367 E HA -0.200 4.150 4.350 0.000 0.000 0.195 367 E C 2.020 178.603 176.600 -0.030 0.000 1.000 367 E CA 1.090 57.471 56.400 -0.033 0.000 0.803 367 E CB -0.031 29.649 29.700 -0.033 0.000 0.750 367 E HN 0.268 nan 8.360 nan 0.000 0.448 368 R N 0.521 120.996 120.500 -0.043 0.000 2.096 368 R HA -0.119 4.221 4.340 0.000 0.000 0.235 368 R C 2.716 178.995 176.300 -0.036 0.000 1.127 368 R CA 1.414 57.487 56.100 -0.044 0.000 0.968 368 R CB -0.695 29.570 30.300 -0.059 0.000 0.861 368 R HN 0.234 nan 8.270 nan 0.000 0.440 369 V N -1.048 118.845 119.914 -0.035 0.000 2.407 369 V HA -0.104 4.016 4.120 0.000 0.000 0.248 369 V C 2.206 178.288 176.094 -0.021 0.000 1.055 369 V CA 1.873 64.156 62.300 -0.028 0.000 1.049 369 V CB -0.705 31.101 31.823 -0.029 0.000 0.662 369 V HN 0.251 nan 8.190 nan 0.000 0.455 370 A N 0.153 122.962 122.820 -0.018 0.000 1.929 370 A HA -0.053 4.267 4.320 0.000 0.000 0.216 370 A C 2.277 179.858 177.584 -0.004 0.000 1.176 370 A CA 1.617 53.648 52.037 -0.010 0.000 0.628 370 A CB -0.549 18.446 19.000 -0.008 0.000 0.816 370 A HN 0.587 nan 8.150 nan 0.000 0.444 371 K N -0.748 119.649 120.400 -0.005 0.000 2.209 371 K HA -0.011 4.309 4.320 0.000 0.000 0.204 371 K C 1.486 178.085 176.600 -0.002 0.000 1.048 371 K CA 1.164 57.453 56.287 0.004 0.000 0.940 371 K CB -0.182 32.317 32.500 -0.002 0.000 0.729 371 K HN 0.474 nan 8.250 nan 0.000 0.451 372 L N -1.091 120.125 121.223 -0.012 0.000 2.362 372 L HA 0.123 4.463 4.340 0.000 0.000 0.204 372 L C 1.879 178.744 176.870 -0.010 0.000 1.060 372 L CA 0.253 55.084 54.840 -0.014 0.000 0.827 372 L CB -0.150 41.896 42.059 -0.022 0.000 1.027 372 L HN 0.074 nan 8.230 nan 0.000 0.474 373 A N 0.254 123.068 122.820 -0.010 0.000 3.051 373 A HA 0.291 4.611 4.320 0.000 0.000 0.187 373 A C 1.760 179.341 177.584 -0.004 0.000 1.690 373 A CA 0.909 52.941 52.037 -0.008 0.000 0.677 373 A CB -1.401 17.593 19.000 -0.010 0.000 1.164 373 A HN 0.260 nan 8.150 nan 0.000 0.473 374 G N -1.692 107.105 108.800 -0.004 0.000 2.751 374 G HA2 0.430 4.390 3.960 0.000 0.000 0.187 374 G HA3 0.430 4.390 3.960 0.000 0.000 0.187 374 G C 0.521 175.422 174.900 0.002 0.000 1.733 374 G CA 0.814 45.913 45.100 -0.001 0.000 0.898 374 G HN 1.482 nan 8.290 nan 0.000 0.408 375 G N -2.631 106.170 108.800 0.002 0.000 2.682 375 G HA2 0.498 4.458 3.960 0.000 0.000 0.303 375 G HA3 0.498 4.458 3.960 0.000 0.000 0.303 375 G C -2.130 172.774 174.900 0.006 0.000 1.341 375 G CA -0.195 44.908 45.100 0.006 0.000 0.784 375 G HN 0.726 nan 8.290 nan 0.000 0.497 376 V N -0.116 119.803 119.914 0.009 0.000 2.656 376 V HA 0.832 4.952 4.120 0.000 0.000 0.307 376 V C -0.057 176.042 176.094 0.010 0.000 1.051 376 V CA -0.144 62.162 62.300 0.009 0.000 0.893 376 V CB 1.487 33.318 31.823 0.014 0.000 0.999 376 V HN 1.459 nan 8.190 nan 0.000 0.426 377 A N 4.127 126.952 122.820 0.009 0.000 2.454 377 A HA 0.945 5.265 4.320 0.000 0.000 0.302 377 A C -1.388 176.202 177.584 0.012 0.000 1.079 377 A CA -0.583 51.459 52.037 0.009 0.000 0.731 377 A CB 2.133 21.138 19.000 0.008 0.000 1.299 377 A HN 0.706 nan 8.150 nan 0.000 0.413 378 V N 2.281 122.202 119.914 0.011 0.000 2.540 378 V HA 0.420 4.540 4.120 0.000 0.000 0.302 378 V C -0.439 175.663 176.094 0.013 0.000 1.035 378 V CA -0.245 62.063 62.300 0.013 0.000 0.873 378 V CB 1.531 33.361 31.823 0.011 0.000 0.992 378 V HN 0.744 nan 8.190 nan 0.000 0.428 379 I N 4.520 125.100 120.570 0.016 0.000 2.315 379 I HA 0.375 4.545 4.170 0.000 0.000 0.291 379 I C 0.204 176.329 176.117 0.014 0.000 1.006 379 I CA -0.360 60.949 61.300 0.014 0.000 1.265 379 I CB 1.083 39.094 38.000 0.018 0.000 1.387 379 I HN 0.510 nan 8.210 nan 0.000 0.475 380 K N 6.023 126.429 120.400 0.010 0.000 2.240 380 K HA 0.500 4.820 4.320 0.000 0.000 0.271 380 K C -0.942 175.663 176.600 0.008 0.000 1.018 380 K CA -0.644 55.648 56.287 0.009 0.000 0.874 380 K CB 2.090 34.594 32.500 0.006 0.000 1.098 380 K HN 0.315 nan 8.250 nan 0.000 0.458 381 V N 2.032 121.951 119.914 0.008 0.000 2.439 381 V HA 0.379 4.499 4.120 0.000 0.000 0.282 381 V C 0.707 176.804 176.094 0.005 0.000 1.039 381 V CA -0.900 61.405 62.300 0.007 0.000 0.913 381 V CB 1.352 33.180 31.823 0.008 0.000 0.983 381 V HN 0.897 nan 8.190 nan 0.000 0.460 382 G N 2.484 111.286 108.800 0.004 0.000 2.410 382 G HA2 0.804 4.764 3.960 0.000 0.000 0.330 382 G HA3 0.804 4.764 3.960 0.000 0.000 0.330 382 G C -0.557 174.345 174.900 0.002 0.000 1.142 382 G CA -0.009 45.093 45.100 0.003 0.000 0.902 382 G HN 1.273 nan 8.290 nan 0.000 0.491 383 A N -0.200 122.621 122.820 0.002 0.000 2.610 383 A HA 0.792 5.112 4.320 0.000 0.000 0.291 383 A C 0.689 178.273 177.584 0.000 0.000 1.086 383 A CA 0.328 52.365 52.037 0.001 0.000 0.677 383 A CB 0.758 19.759 19.000 0.001 0.000 1.278 383 A HN 1.729 nan 8.150 nan 0.000 0.414 384 A N -0.160 122.660 122.820 -0.000 0.000 1.874 384 A HA 0.367 4.687 4.320 0.000 0.000 0.214 384 A C 1.536 179.120 177.584 -0.000 0.000 1.189 384 A CA 2.513 54.550 52.037 -0.001 0.000 0.615 384 A CB -0.814 18.185 19.000 -0.001 0.000 0.830 384 A HN 1.790 nan 8.150 nan 0.000 0.443 385 T N -4.553 110.001 114.554 -0.000 0.000 2.765 385 T HA 0.508 4.858 4.350 0.000 0.000 0.251 385 T C 0.730 175.431 174.700 0.001 0.000 1.027 385 T CA 0.224 62.324 62.100 -0.000 0.000 1.030 385 T CB 1.162 70.030 68.868 -0.001 0.000 1.935 385 T HN 0.159 nan 8.240 nan 0.000 0.563 386 E N -0.496 119.704 120.200 0.001 0.000 2.414 386 E HA 0.106 4.456 4.350 0.000 0.000 0.208 386 E C 2.204 178.806 176.600 0.003 0.000 0.820 386 E CA 0.504 56.906 56.400 0.004 0.000 1.143 386 E CB 0.597 30.300 29.700 0.005 0.000 1.150 386 E HN 0.501 nan 8.360 nan 0.000 0.540 387 V N 0.029 119.943 119.914 0.000 0.000 2.688 387 V HA -0.220 3.900 4.120 0.000 0.000 0.256 387 V C 1.946 178.039 176.094 -0.002 0.000 1.084 387 V CA 2.252 64.551 62.300 -0.002 0.000 1.103 387 V CB -0.560 31.259 31.823 -0.006 0.000 0.688 387 V HN 0.183 nan 8.190 nan 0.000 0.480 388 E N -0.263 119.936 120.200 -0.001 0.000 2.102 388 E HA -0.125 4.225 4.350 0.000 0.000 0.190 388 E C 2.091 178.691 176.600 -0.000 0.000 0.971 388 E CA 0.911 57.309 56.400 -0.002 0.000 0.821 388 E CB -0.131 29.567 29.700 -0.002 0.000 0.777 388 E HN 0.494 nan 8.360 nan 0.000 0.460 389 M N 1.479 121.080 119.600 0.002 0.000 2.106 389 M HA -0.208 4.272 4.480 0.000 0.000 0.259 389 M C 1.829 178.132 176.300 0.004 0.000 1.068 389 M CA 1.832 57.134 55.300 0.003 0.000 1.100 389 M CB -0.084 32.519 32.600 0.005 0.000 1.351 389 M HN -0.089 nan 8.290 nan 0.000 0.404 390 K N -0.528 119.875 120.400 0.005 0.000 1.985 390 K HA -0.233 4.087 4.320 0.000 0.000 0.210 390 K C 1.947 178.548 176.600 0.001 0.000 1.047 390 K CA 1.931 58.221 56.287 0.005 0.000 0.932 390 K CB -0.331 32.174 32.500 0.008 0.000 0.716 390 K HN 0.548 nan 8.250 nan 0.000 0.439 391 E N 1.224 121.424 120.200 -0.001 0.000 2.118 391 E HA -0.267 4.083 4.350 0.000 0.000 0.195 391 E C 1.826 178.424 176.600 -0.005 0.000 0.992 391 E CA 1.764 58.161 56.400 -0.004 0.000 0.804 391 E CB -0.018 29.679 29.700 -0.006 0.000 0.741 391 E HN 0.069 nan 8.360 nan 0.000 0.458 392 K N 0.962 121.360 120.400 -0.003 0.000 2.001 392 K HA -0.116 4.205 4.320 0.000 0.000 0.208 392 K C 2.176 178.775 176.600 -0.001 0.000 1.048 392 K CA 1.844 58.130 56.287 -0.002 0.000 0.932 392 K CB -0.222 32.278 32.500 -0.001 0.000 0.715 392 K HN 0.095 nan 8.250 nan 0.000 0.437 393 K N -0.286 120.115 120.400 0.001 0.000 2.074 393 K HA -0.157 4.163 4.320 0.000 0.000 0.209 393 K C 1.898 178.496 176.600 -0.002 0.000 1.048 393 K CA 1.450 57.739 56.287 0.004 0.000 0.926 393 K CB -0.305 32.199 32.500 0.007 0.000 0.713 393 K HN 0.286 nan 8.250 nan 0.000 0.444 394 A N 0.837 123.652 122.820 -0.008 0.000 2.070 394 A HA -0.154 4.166 4.320 0.000 0.000 0.220 394 A C 2.000 179.566 177.584 -0.029 0.000 1.159 394 A CA 1.316 53.341 52.037 -0.020 0.000 0.656 394 A CB -0.288 18.701 19.000 -0.018 0.000 0.800 394 A HN 0.289 nan 8.150 nan 0.000 0.453 395 R N -1.152 119.338 120.500 -0.018 0.000 2.090 395 R HA 0.036 4.376 4.340 0.000 0.000 0.219 395 R C 2.009 178.301 176.300 -0.013 0.000 1.100 395 R CA 1.095 57.184 56.100 -0.018 0.000 0.991 395 R CB -0.239 30.054 30.300 -0.011 0.000 0.893 395 R HN 0.353 nan 8.270 nan 0.000 0.443 396 V N 1.537 121.449 119.914 -0.003 0.000 2.343 396 V HA -0.236 3.884 4.120 0.000 0.000 0.247 396 V C 2.175 178.279 176.094 0.018 0.000 1.051 396 V CA 1.650 63.956 62.300 0.009 0.000 1.036 396 V CB -0.430 31.401 31.823 0.013 0.000 0.654 396 V HN 0.289 nan 8.190 nan 0.000 0.451 397 E N 0.335 120.538 120.200 0.005 0.000 2.049 397 E HA -0.287 4.063 4.350 0.000 0.000 0.198 397 E C 2.015 178.574 176.600 -0.068 0.000 1.007 397 E CA 2.049 58.447 56.400 -0.002 0.000 0.809 397 E CB -0.442 29.231 29.700 -0.045 0.000 0.749 397 E HN 0.647 nan 8.360 nan 0.000 0.450 398 D N -0.024 120.308 120.400 -0.114 0.000 2.104 398 D HA -0.131 4.509 4.640 0.000 0.000 0.194 398 D C 1.802 178.082 176.300 -0.032 0.000 0.994 398 D CA 1.805 55.723 54.000 -0.138 0.000 0.830 398 D CB -0.159 40.589 40.800 -0.086 0.000 0.959 398 D HN 0.216 nan 8.370 nan 0.000 0.452 399 A N 0.444 123.268 122.820 0.007 0.000 1.898 399 A HA -0.095 4.225 4.320 0.000 0.000 0.216 399 A C 2.060 179.690 177.584 0.076 0.000 1.181 399 A CA 0.627 52.685 52.037 0.035 0.000 0.620 399 A CB -0.686 18.328 19.000 0.023 0.000 0.819 399 A HN 0.282 nan 8.150 nan 0.000 0.442 400 L N -0.586 120.697 121.223 0.101 0.000 2.129 400 L HA -0.217 4.123 4.340 0.000 0.000 0.212 400 L C 2.125 179.109 176.870 0.190 0.000 1.087 400 L CA 2.352 57.272 54.840 0.133 0.000 0.757 400 L CB -1.068 41.078 42.059 0.145 0.000 0.896 400 L HN 0.516 nan 8.230 nan 0.000 0.434 401 H N -0.850 118.229 119.070 0.014 0.000 2.415 401 H HA 0.134 4.690 4.556 0.000 0.000 0.297 401 H C 2.156 177.494 175.328 0.017 0.000 1.048 401 H CA 1.132 57.190 56.048 0.017 0.000 1.365 401 H CB -0.152 29.622 29.762 0.020 0.000 1.421 401 H HN 0.364 nan 8.280 nan 0.000 0.533 402 A N 0.357 123.275 122.820 0.163 0.000 1.969 402 A HA -0.158 4.162 4.320 0.000 0.000 0.218 402 A C 2.405 180.028 177.584 0.064 0.000 1.169 402 A CA 1.992 54.085 52.037 0.093 0.000 0.635 402 A CB -0.935 18.101 19.000 0.060 0.000 0.810 402 A HN 0.578 nan 8.150 nan 0.000 0.445 403 T N -1.806 112.783 114.554 0.058 0.000 2.777 403 T HA -0.127 4.223 4.350 0.000 0.000 0.266 403 T C 1.892 176.609 174.700 0.028 0.000 1.040 403 T CA 1.007 63.129 62.100 0.037 0.000 1.141 403 T CB -0.390 68.496 68.868 0.031 0.000 0.868 403 T HN 0.423 nan 8.240 nan 0.000 0.444 404 R N 1.429 121.945 120.500 0.027 0.000 2.200 404 R HA 0.122 4.462 4.340 0.000 0.000 0.234 404 R C 2.700 179.003 176.300 0.006 0.000 1.127 404 R CA 1.176 57.277 56.100 0.001 0.000 0.989 404 R CB -0.704 29.573 30.300 -0.038 0.000 0.869 404 R HN 0.601 nan 8.270 nan 0.000 0.459 405 A N 1.075 123.910 122.820 0.025 0.000 1.878 405 A HA 0.091 4.411 4.320 0.000 0.000 0.213 405 A C 2.404 180.000 177.584 0.020 0.000 1.192 405 A CA 1.071 53.124 52.037 0.026 0.000 0.619 405 A CB -0.506 18.521 19.000 0.044 0.000 0.837 405 A HN 0.283 nan 8.150 nan 0.000 0.446 406 A N -0.182 122.652 122.820 0.023 0.000 1.903 406 A HA -0.145 4.175 4.320 0.000 0.000 0.219 406 A C 2.213 179.804 177.584 0.012 0.000 1.191 406 A CA 2.201 54.248 52.037 0.017 0.000 0.638 406 A CB -1.195 17.816 19.000 0.018 0.000 0.823 406 A HN 0.475 nan 8.150 nan 0.000 0.451 407 V N 0.959 120.879 119.914 0.010 0.000 2.392 407 V HA -0.273 3.847 4.120 0.000 0.000 0.249 407 V C 2.489 178.585 176.094 0.003 0.000 1.059 407 V CA 2.389 64.692 62.300 0.005 0.000 1.051 407 V CB -0.901 30.923 31.823 0.003 0.000 0.658 407 V HN 0.943 nan 8.190 nan 0.000 0.455 408 E N -0.364 119.838 120.200 0.003 0.000 2.447 408 E HA -0.061 4.289 4.350 0.000 0.000 0.195 408 E C 1.629 178.231 176.600 0.004 0.000 1.028 408 E CA 0.827 57.228 56.400 0.002 0.000 0.876 408 E CB 0.160 29.859 29.700 -0.001 0.000 0.885 408 E HN 0.656 nan 8.360 nan 0.000 0.500 409 E N -0.027 120.177 120.200 0.006 0.000 2.712 409 E HA 0.219 4.569 4.350 0.000 0.000 0.221 409 E C -0.067 176.537 176.600 0.006 0.000 0.943 409 E CA 0.222 56.625 56.400 0.005 0.000 1.259 409 E CB 1.263 30.967 29.700 0.006 0.000 1.167 409 E HN 0.342 nan 8.360 nan 0.000 0.569 410 G N 0.523 109.328 108.800 0.008 0.000 2.710 410 G HA2 -0.159 3.801 3.960 0.000 0.000 0.668 410 G HA3 -0.159 3.801 3.960 0.000 0.000 0.668 410 G C -0.547 174.360 174.900 0.010 0.000 1.320 410 G CA -0.498 44.607 45.100 0.008 0.000 0.860 410 G HN 0.591 nan 8.290 nan 0.000 0.538 411 V N -2.458 117.462 119.914 0.011 0.000 3.001 411 V HA 0.991 5.111 4.120 0.000 0.000 0.314 411 V C 0.584 176.686 176.094 0.013 0.000 1.099 411 V CA 0.113 62.420 62.300 0.012 0.000 0.989 411 V CB 1.395 33.225 31.823 0.012 0.000 1.040 411 V HN 2.495 nan 8.190 nan 0.000 0.434 412 V N -0.625 119.297 119.914 0.014 0.000 3.141 412 V HA 0.999 5.119 4.120 0.000 0.000 0.312 412 V C 0.463 176.568 176.094 0.018 0.000 1.157 412 V CA -0.712 61.597 62.300 0.016 0.000 1.041 412 V CB 1.374 33.206 31.823 0.015 0.000 1.071 412 V HN 2.153 nan 8.190 nan 0.000 0.441 413 A N 1.305 124.138 122.820 0.022 0.000 2.537 413 A HA 0.571 4.891 4.320 0.000 0.000 0.260 413 A C 0.995 178.592 177.584 0.021 0.000 1.082 413 A CA 0.672 52.724 52.037 0.024 0.000 0.765 413 A CB -0.935 18.086 19.000 0.034 0.000 1.019 413 A HN 2.021 nan 8.150 nan 0.000 0.507 414 G N 1.340 110.149 108.800 0.015 0.000 2.529 414 G HA2 0.488 4.448 3.960 0.000 0.000 0.277 414 G HA3 0.488 4.448 3.960 0.000 0.000 0.277 414 G C 1.247 176.157 174.900 0.017 0.000 1.383 414 G CA 0.065 45.172 45.100 0.013 0.000 1.050 414 G HN 2.293 nan 8.290 nan 0.000 0.526 415 G N -2.170 106.640 108.800 0.017 0.000 2.179 415 G HA2 0.193 4.153 3.960 0.000 0.000 0.257 415 G HA3 0.193 4.153 3.960 0.000 0.000 0.257 415 G C 1.463 176.386 174.900 0.038 0.000 1.010 415 G CA 1.035 46.152 45.100 0.029 0.000 0.736 415 G HN 2.458 nan 8.290 nan 0.000 0.513 416 G N -1.790 107.028 108.800 0.030 0.000 2.361 416 G HA2 -0.079 3.881 3.960 0.000 0.000 0.294 416 G HA3 -0.079 3.881 3.960 0.000 0.000 0.294 416 G C 1.688 176.609 174.900 0.034 0.000 1.004 416 G CA 1.744 46.862 45.100 0.030 0.000 0.870 416 G HN 2.123 nan 8.290 nan 0.000 0.510 417 V N -0.818 119.119 119.914 0.038 0.000 2.379 417 V HA 0.170 4.290 4.120 0.000 0.000 0.245 417 V C 2.882 179.000 176.094 0.039 0.000 1.044 417 V CA 2.280 64.607 62.300 0.044 0.000 1.036 417 V CB -0.572 31.282 31.823 0.051 0.000 0.664 417 V HN 1.325 nan 8.190 nan 0.000 0.453 418 A N 0.300 123.139 122.820 0.032 0.000 1.903 418 A HA -0.241 4.079 4.320 0.000 0.000 0.219 418 A C 2.169 179.767 177.584 0.023 0.000 1.191 418 A CA 2.572 54.625 52.037 0.027 0.000 0.638 418 A CB -0.906 18.106 19.000 0.021 0.000 0.823 418 A HN 0.564 nan 8.150 nan 0.000 0.451 419 L N -0.103 121.134 121.223 0.022 0.000 2.017 419 L HA -0.133 4.207 4.340 0.000 0.000 0.208 419 L C 2.433 179.315 176.870 0.021 0.000 1.073 419 L CA 1.407 56.258 54.840 0.018 0.000 0.745 419 L CB -0.578 41.491 42.059 0.017 0.000 0.894 419 L HN 0.396 nan 8.230 nan 0.000 0.432 420 I N -0.835 119.751 120.570 0.027 0.000 2.248 420 I HA -0.310 3.860 4.170 0.000 0.000 0.248 420 I C 2.517 178.651 176.117 0.029 0.000 1.107 420 I CA 1.094 62.411 61.300 0.029 0.000 1.373 420 I CB -0.774 37.249 38.000 0.038 0.000 1.055 420 I HN 0.338 nan 8.210 nan 0.000 0.418 421 R N 0.560 121.079 120.500 0.032 0.000 2.092 421 R HA -0.094 4.246 4.340 0.000 0.000 0.231 421 R C 2.335 178.647 176.300 0.021 0.000 1.119 421 R CA 1.352 57.470 56.100 0.030 0.000 0.970 421 R CB -1.272 29.049 30.300 0.035 0.000 0.864 421 R HN 0.476 nan 8.270 nan 0.000 0.440 422 V N -0.147 119.778 119.914 0.017 0.000 2.453 422 V HA -0.035 4.085 4.120 0.000 0.000 0.247 422 V C 2.231 178.331 176.094 0.010 0.000 1.048 422 V CA 1.772 64.079 62.300 0.012 0.000 1.049 422 V CB -0.801 31.026 31.823 0.008 0.000 0.672 422 V HN 0.197 nan 8.190 nan 0.000 0.457 423 A N 1.646 124.473 122.820 0.012 0.000 1.915 423 A HA -0.279 4.041 4.320 0.000 0.000 0.220 423 A C 2.589 180.179 177.584 0.010 0.000 1.198 423 A CA 3.494 55.538 52.037 0.011 0.000 0.647 423 A CB -1.345 17.662 19.000 0.012 0.000 0.825 423 A HN 1.087 nan 8.150 nan 0.000 0.456 424 S N -0.744 114.963 115.700 0.012 0.000 2.436 424 S HA -0.065 4.405 4.470 0.000 0.000 0.228 424 S C 1.733 176.338 174.600 0.008 0.000 1.014 424 S CA 1.208 59.414 58.200 0.010 0.000 0.950 424 S CB -0.220 62.987 63.200 0.012 0.000 0.784 424 S HN 0.550 nan 8.310 nan 0.000 0.504 425 K N 1.280 121.686 120.400 0.009 0.000 2.113 425 K HA 0.061 4.381 4.320 0.000 0.000 0.208 425 K C 1.263 177.866 176.600 0.005 0.000 1.047 425 K CA 1.287 57.578 56.287 0.006 0.000 0.928 425 K CB -0.407 32.098 32.500 0.007 0.000 0.716 425 K HN 0.434 nan 8.250 nan 0.000 0.446 426 L N -0.551 120.675 121.223 0.005 0.000 2.741 426 L HA 0.248 4.588 4.340 0.000 0.000 0.237 426 L C 1.628 178.500 176.870 0.003 0.000 1.178 426 L CA -0.267 54.575 54.840 0.003 0.000 0.973 426 L CB 0.109 42.170 42.059 0.003 0.000 1.255 426 L HN 0.068 nan 8.230 nan 0.000 0.498 427 A N 0.036 122.859 122.820 0.003 0.000 2.084 427 A HA -0.198 4.122 4.320 0.000 0.000 0.221 427 A C 1.563 179.148 177.584 0.002 0.000 1.161 427 A CA 1.675 53.714 52.037 0.003 0.000 0.653 427 A CB -0.219 18.782 19.000 0.003 0.000 0.802 427 A HN 0.351 nan 8.150 nan 0.000 0.457 428 D N -1.094 119.307 120.400 0.002 0.000 2.340 428 D HA 0.183 4.823 4.640 0.000 0.000 0.217 428 D C -0.233 176.067 176.300 0.001 0.000 1.081 428 D CA -0.167 53.834 54.000 0.001 0.000 0.842 428 D CB 0.093 40.894 40.800 0.001 0.000 0.934 428 D HN 0.263 nan 8.370 nan 0.000 0.511 429 L N 1.768 122.992 121.223 0.001 0.000 2.360 429 L HA 0.189 4.529 4.340 0.000 0.000 0.276 429 L C 0.365 177.235 176.870 0.001 0.000 1.121 429 L CA 0.341 55.181 54.840 0.001 0.000 0.845 429 L CB 0.169 42.229 42.059 0.001 0.000 1.143 429 L HN -0.218 nan 8.230 nan 0.000 0.452 430 R N 2.577 123.077 120.500 0.001 0.000 2.939 430 R HA 0.745 5.085 4.340 0.000 0.000 0.254 430 R C -0.210 176.091 176.300 0.001 0.000 1.123 430 R CA -0.536 55.565 56.100 0.001 0.000 1.020 430 R CB 1.474 31.774 30.300 0.001 0.000 1.206 430 R HN 0.776 nan 8.270 nan 0.000 0.491 431 G N -0.460 108.341 108.800 0.002 0.000 2.971 431 G HA2 0.194 4.154 3.960 0.000 0.000 0.235 431 G HA3 0.194 4.154 3.960 0.000 0.000 0.235 431 G C -0.040 174.861 174.900 0.002 0.000 1.351 431 G CA -0.332 44.769 45.100 0.002 0.000 1.039 431 G HN 0.436 nan 8.290 nan 0.000 0.563 432 Q N 0.062 119.864 119.800 0.002 0.000 2.451 432 Q HA 0.149 4.489 4.340 0.000 0.000 0.206 432 Q C 0.431 176.432 176.000 0.002 0.000 0.947 432 Q CA 0.422 56.226 55.803 0.002 0.000 0.937 432 Q CB 0.003 28.742 28.738 0.002 0.000 1.025 432 Q HN 0.578 nan 8.270 nan 0.000 0.511 433 N N -1.601 117.100 118.700 0.002 0.000 3.356 433 N HA -0.054 4.686 4.740 0.000 0.000 0.246 433 N C -0.037 175.474 175.510 0.002 0.000 1.480 433 N CA -0.294 52.756 53.050 0.001 0.000 0.877 433 N CB 0.854 39.342 38.487 0.002 0.000 1.431 433 N HN -0.164 nan 8.380 nan 0.000 0.500 434 E N 0.175 120.376 120.200 0.001 0.000 2.106 434 E HA -0.060 4.290 4.350 0.000 0.000 0.192 434 E C 0.584 177.186 176.600 0.002 0.000 0.984 434 E CA 1.748 58.148 56.400 0.001 0.000 0.806 434 E CB -0.271 29.430 29.700 0.001 0.000 0.750 434 E HN 0.519 nan 8.360 nan 0.000 0.458 435 D N 0.227 120.628 120.400 0.002 0.000 2.144 435 D HA -0.160 4.480 4.640 0.000 0.000 0.199 435 D C 1.816 178.118 176.300 0.003 0.000 0.984 435 D CA 0.914 54.915 54.000 0.003 0.000 0.834 435 D CB -0.215 40.586 40.800 0.003 0.000 0.955 435 D HN 0.362 nan 8.370 nan 0.000 0.465 436 Q N 0.036 119.838 119.800 0.003 0.000 2.170 436 Q HA -0.115 4.225 4.340 0.000 0.000 0.203 436 Q C 1.705 177.707 176.000 0.003 0.000 0.976 436 Q CA 0.734 56.539 55.803 0.004 0.000 0.858 436 Q CB 0.043 28.783 28.738 0.003 0.000 0.907 436 Q HN 0.232 nan 8.270 nan 0.000 0.433 437 N N -0.200 118.501 118.700 0.003 0.000 2.120 437 N HA -0.122 4.618 4.740 0.000 0.000 0.188 437 N C 1.764 177.276 175.510 0.003 0.000 1.024 437 N CA 1.024 54.075 53.050 0.002 0.000 0.852 437 N CB -0.334 38.154 38.487 0.002 0.000 1.003 437 N HN 0.039 nan 8.380 nan 0.000 0.424 438 V N 0.577 120.493 119.914 0.003 0.000 2.407 438 V HA -0.113 4.007 4.120 0.000 0.000 0.248 438 V C 2.326 178.423 176.094 0.004 0.000 1.055 438 V CA 1.906 64.208 62.300 0.003 0.000 1.049 438 V CB -1.162 30.663 31.823 0.003 0.000 0.662 438 V HN 0.358 nan 8.190 nan 0.000 0.455 439 G N -0.274 108.529 108.800 0.004 0.000 2.422 439 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 439 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 439 G C 1.561 176.464 174.900 0.005 0.000 1.140 439 G CA 0.775 45.878 45.100 0.005 0.000 0.775 439 G HN 0.477 nan 8.290 nan 0.000 0.545 440 I N 0.077 120.650 120.570 0.004 0.000 2.133 440 I HA -0.112 4.058 4.170 0.000 0.000 0.238 440 I C 2.765 178.884 176.117 0.004 0.000 1.074 440 I CA 1.099 62.401 61.300 0.004 0.000 1.342 440 I CB -0.114 37.888 38.000 0.003 0.000 1.053 440 I HN -0.028 nan 8.210 nan 0.000 0.404 441 K N 0.615 121.017 120.400 0.004 0.000 2.089 441 K HA -0.166 4.154 4.320 0.000 0.000 0.210 441 K C 1.916 178.519 176.600 0.005 0.000 1.048 441 K CA 1.195 57.484 56.287 0.004 0.000 0.926 441 K CB -0.860 31.642 32.500 0.003 0.000 0.714 441 K HN 0.139 nan 8.250 nan 0.000 0.448 442 V N 0.531 120.448 119.914 0.005 0.000 2.287 442 V HA -0.315 3.805 4.120 0.000 0.000 0.248 442 V C 2.200 178.298 176.094 0.007 0.000 1.053 442 V CA 2.096 64.400 62.300 0.006 0.000 1.027 442 V CB -0.803 31.024 31.823 0.007 0.000 0.646 442 V HN 0.413 nan 8.190 nan 0.000 0.447 443 A N -0.114 122.711 122.820 0.007 0.000 1.858 443 A HA -0.160 4.160 4.320 0.000 0.000 0.216 443 A C 2.179 179.767 177.584 0.007 0.000 1.190 443 A CA 1.947 53.989 52.037 0.007 0.000 0.617 443 A CB -0.619 18.385 19.000 0.006 0.000 0.827 443 A HN 0.494 nan 8.150 nan 0.000 0.443 444 L N -1.161 120.066 121.223 0.006 0.000 1.997 444 L HA -0.278 4.062 4.340 0.000 0.000 0.216 444 L C 2.773 179.648 176.870 0.008 0.000 1.074 444 L CA 2.161 57.005 54.840 0.007 0.000 0.763 444 L CB -0.647 41.415 42.059 0.006 0.000 0.890 444 L HN 0.386 nan 8.230 nan 0.000 0.434 445 R N -0.107 120.397 120.500 0.007 0.000 2.170 445 R HA -0.181 4.159 4.340 0.000 0.000 0.242 445 R C 2.060 178.365 176.300 0.008 0.000 1.145 445 R CA 1.422 57.526 56.100 0.007 0.000 0.984 445 R CB -0.171 30.133 30.300 0.006 0.000 0.869 445 R HN 0.454 nan 8.270 nan 0.000 0.455 446 A N -0.889 121.937 122.820 0.009 0.000 2.220 446 A HA 0.072 4.392 4.320 0.000 0.000 0.211 446 A C 1.774 179.365 177.584 0.012 0.000 1.176 446 A CA 0.029 52.072 52.037 0.011 0.000 0.834 446 A CB 0.008 19.015 19.000 0.012 0.000 0.868 446 A HN 0.246 nan 8.150 nan 0.000 0.488 447 M N -0.325 119.282 119.600 0.011 0.000 2.460 447 M HA -0.084 4.396 4.480 0.000 0.000 0.263 447 M C 1.496 177.805 176.300 0.015 0.000 1.071 447 M CA 0.984 56.292 55.300 0.012 0.000 1.096 447 M CB -0.086 32.520 32.600 0.011 0.000 1.408 447 M HN 0.447 nan 8.290 nan 0.000 0.463 448 E N -0.155 120.053 120.200 0.014 0.000 2.347 448 E HA -0.094 4.256 4.350 0.000 0.000 0.196 448 E C 1.953 178.562 176.600 0.015 0.000 1.008 448 E CA 0.692 57.101 56.400 0.015 0.000 0.852 448 E CB 0.003 29.710 29.700 0.012 0.000 0.783 448 E HN 0.522 nan 8.360 nan 0.000 0.505 449 A N 2.023 124.852 122.820 0.014 0.000 1.902 449 A HA -0.091 4.229 4.320 0.000 0.000 0.217 449 A C -0.340 177.254 177.584 0.016 0.000 1.181 449 A CA 0.916 52.961 52.037 0.014 0.000 0.623 449 A CB -1.258 17.751 19.000 0.014 0.000 0.818 449 A HN 0.130 nan 8.150 nan 0.000 0.443 450 P HA -0.182 nan 4.420 nan 0.000 0.215 450 P C 1.776 179.091 177.300 0.025 0.000 1.157 450 P CA 0.876 63.989 63.100 0.022 0.000 0.874 450 P CB -0.118 31.596 31.700 0.023 0.000 0.790 451 L N -0.003 121.237 121.223 0.027 0.000 2.079 451 L HA -0.158 4.182 4.340 0.000 0.000 0.210 451 L C 1.994 178.878 176.870 0.024 0.000 1.081 451 L CA 2.093 56.954 54.840 0.034 0.000 0.752 451 L CB -0.871 41.210 42.059 0.037 0.000 0.896 451 L HN -0.024 nan 8.230 nan 0.000 0.433 452 R N -0.993 119.515 120.500 0.014 0.000 2.115 452 R HA -0.127 4.213 4.340 0.000 0.000 0.230 452 R C 2.212 178.516 176.300 0.006 0.000 1.111 452 R CA 0.867 56.970 56.100 0.004 0.000 0.976 452 R CB -0.171 30.130 30.300 0.001 0.000 0.870 452 R HN 0.407 nan 8.270 nan 0.000 0.445 453 Q N 0.737 120.545 119.800 0.013 0.000 2.096 453 Q HA 0.016 4.356 4.340 0.000 0.000 0.197 453 Q C 2.177 178.188 176.000 0.019 0.000 0.964 453 Q CA 1.139 56.950 55.803 0.013 0.000 0.838 453 Q CB 0.023 28.769 28.738 0.014 0.000 0.906 453 Q HN 0.371 nan 8.270 nan 0.000 0.444 454 I N -0.031 120.555 120.570 0.027 0.000 2.118 454 I HA -0.300 3.870 4.170 0.000 0.000 0.241 454 I C 2.232 178.379 176.117 0.051 0.000 1.070 454 I CA 1.118 62.442 61.300 0.039 0.000 1.327 454 I CB -0.388 37.643 38.000 0.050 0.000 1.034 454 I HN -0.014 nan 8.210 nan 0.000 0.405 455 V N 0.617 120.558 119.914 0.045 0.000 2.490 455 V HA -0.261 3.859 4.120 0.000 0.000 0.250 455 V C 2.275 178.375 176.094 0.011 0.000 1.061 455 V CA 1.623 63.938 62.300 0.025 0.000 1.064 455 V CB -0.412 31.380 31.823 -0.052 0.000 0.670 455 V HN 0.379 nan 8.190 nan 0.000 0.461 456 L N 0.019 121.247 121.223 0.007 0.000 2.179 456 L HA 0.004 4.344 4.340 0.000 0.000 0.208 456 L C 1.907 178.782 176.870 0.009 0.000 1.096 456 L CA 1.746 56.588 54.840 0.003 0.000 0.779 456 L CB -0.591 41.469 42.059 0.002 0.000 0.922 456 L HN 0.336 nan 8.230 nan 0.000 0.443 457 N N -1.892 116.816 118.700 0.014 0.000 2.550 457 N HA -0.109 4.631 4.740 0.000 0.000 0.186 457 N C 1.182 176.702 175.510 0.016 0.000 1.110 457 N CA 0.726 53.784 53.050 0.013 0.000 0.912 457 N CB -0.091 38.403 38.487 0.013 0.000 0.968 457 N HN 0.393 nan 8.380 nan 0.000 0.448 458 C N -0.001 119.315 119.300 0.026 0.000 2.626 458 C HA 0.266 4.726 4.460 0.000 0.000 0.266 458 C C 1.699 176.702 174.990 0.022 0.000 1.317 458 C CA -0.095 58.941 59.018 0.031 0.000 1.716 458 C CB -1.081 26.696 27.740 0.062 0.000 1.819 458 C HN 0.616 nan 8.230 nan 0.000 0.578 459 G N 1.410 110.219 108.800 0.014 0.000 2.147 459 G HA2 -0.201 3.759 3.960 0.000 0.000 0.244 459 G HA3 -0.201 3.759 3.960 0.000 0.000 0.244 459 G C -0.292 174.611 174.900 0.005 0.000 1.005 459 G CA 0.206 45.311 45.100 0.008 0.000 0.713 459 G HN 0.629 nan 8.290 nan 0.000 0.515 460 E N -0.305 119.896 120.200 0.001 0.000 2.299 460 E HA 0.433 4.783 4.350 0.000 0.000 0.260 460 E C -0.299 176.282 176.600 -0.033 0.000 0.944 460 E CA -0.933 55.458 56.400 -0.015 0.000 0.815 460 E CB 1.083 30.770 29.700 -0.021 0.000 1.252 460 E HN 0.339 nan 8.360 nan 0.000 0.418 461 E N 1.910 122.083 120.200 -0.045 0.000 2.129 461 E HA 0.084 4.434 4.350 0.000 0.000 0.283 461 E C -1.977 174.589 176.600 -0.055 0.000 1.080 461 E CA -1.544 54.833 56.400 -0.038 0.000 0.867 461 E CB 1.001 30.685 29.700 -0.027 0.000 1.056 461 E HN 0.248 nan 8.360 nan 0.000 0.404 462 P HA -0.153 nan 4.420 nan 0.000 0.214 462 P C 1.463 178.739 177.300 -0.041 0.000 1.162 462 P CA 1.035 64.108 63.100 -0.046 0.000 0.871 462 P CB 0.160 31.845 31.700 -0.024 0.000 0.783 463 S N -0.506 115.179 115.700 -0.026 0.000 2.402 463 S HA -0.136 4.334 4.470 0.000 0.000 0.233 463 S C 2.058 176.642 174.600 -0.025 0.000 1.030 463 S CA 1.449 59.637 58.200 -0.020 0.000 1.003 463 S CB -1.846 61.346 63.200 -0.013 0.000 0.813 463 S HN -0.054 nan 8.310 nan 0.000 0.477 464 V N 1.379 121.274 119.914 -0.031 0.000 2.407 464 V HA -0.087 4.033 4.120 0.000 0.000 0.245 464 V C 2.563 178.638 176.094 -0.032 0.000 1.041 464 V CA 1.233 63.517 62.300 -0.027 0.000 1.040 464 V CB -0.641 31.172 31.823 -0.017 0.000 0.671 464 V HN 0.407 nan 8.190 nan 0.000 0.455 465 V N 0.540 120.409 119.914 -0.075 0.000 2.231 465 V HA -0.337 3.783 4.120 0.000 0.000 0.248 465 V C 2.767 178.841 176.094 -0.033 0.000 1.054 465 V CA 2.401 64.643 62.300 -0.097 0.000 1.015 465 V CB -1.247 30.379 31.823 -0.328 0.000 0.638 465 V HN 0.569 nan 8.190 nan 0.000 0.444 466 A N 0.057 122.857 122.820 -0.034 0.000 1.917 466 A HA -0.310 4.010 4.320 0.000 0.000 0.219 466 A C 2.032 179.614 177.584 -0.004 0.000 1.182 466 A CA 2.427 54.460 52.037 -0.007 0.000 0.633 466 A CB -0.868 18.129 19.000 -0.005 0.000 0.819 466 A HN 0.608 nan 8.150 nan 0.000 0.448 467 N N -0.469 118.223 118.700 -0.014 0.000 2.104 467 N HA -0.135 4.605 4.740 0.000 0.000 0.190 467 N C 1.963 177.459 175.510 -0.024 0.000 1.024 467 N CA 2.236 55.277 53.050 -0.015 0.000 0.853 467 N CB -0.623 37.853 38.487 -0.019 0.000 1.008 467 N HN 0.723 nan 8.380 nan 0.000 0.424 468 T N -2.443 112.079 114.554 -0.053 0.000 3.043 468 T HA 0.077 4.427 4.350 0.000 0.000 0.263 468 T C 1.922 176.594 174.700 -0.046 0.000 1.094 468 T CA 0.503 62.539 62.100 -0.107 0.000 1.127 468 T CB -0.350 68.354 68.868 -0.272 0.000 0.905 468 T HN -0.104 nan 8.240 nan 0.000 0.490 469 V N 1.825 121.739 119.914 -0.000 0.000 2.379 469 V HA -0.065 4.055 4.120 0.000 0.000 0.245 469 V C 2.731 178.899 176.094 0.123 0.000 1.044 469 V CA 1.655 64.006 62.300 0.085 0.000 1.036 469 V CB -0.498 31.368 31.823 0.071 0.000 0.664 469 V HN 0.507 nan 8.190 nan 0.000 0.453 470 K N 0.594 121.031 120.400 0.062 0.000 2.147 470 K HA -0.103 4.217 4.320 0.000 0.000 0.205 470 K C 2.228 178.851 176.600 0.039 0.000 1.049 470 K CA 1.324 57.640 56.287 0.048 0.000 0.936 470 K CB -0.632 31.882 32.500 0.024 0.000 0.722 470 K HN 0.552 nan 8.250 nan 0.000 0.446 471 G N 1.508 110.324 108.800 0.027 0.000 2.485 471 G HA2 -0.197 3.763 3.960 0.000 0.000 0.221 471 G HA3 -0.197 3.763 3.960 0.000 0.000 0.221 471 G C 0.837 175.720 174.900 -0.028 0.000 1.115 471 G CA 1.023 46.120 45.100 -0.005 0.000 0.751 471 G HN 0.410 nan 8.290 nan 0.000 0.567 472 G N -1.203 107.613 108.800 0.026 0.000 2.543 472 G HA2 0.521 4.481 3.960 0.000 0.000 0.267 472 G HA3 0.521 4.481 3.960 0.000 0.000 0.267 472 G C -1.093 173.803 174.900 -0.007 0.000 1.406 472 G CA -0.395 44.644 45.100 -0.101 0.000 1.048 472 G HN 0.137 nan 8.290 nan 0.000 0.548 473 D N -2.252 118.142 120.400 -0.012 0.000 2.570 473 D HA 0.512 5.152 4.640 0.000 0.000 0.244 473 D C 0.895 177.236 176.300 0.068 0.000 1.178 473 D CA 0.611 54.626 54.000 0.025 0.000 0.881 473 D CB 1.660 42.450 40.800 -0.018 0.000 1.453 473 D HN 0.873 nan 8.370 nan 0.000 0.447 474 G N 1.464 110.298 108.800 0.056 0.000 2.665 474 G HA2 -0.376 3.584 3.960 0.000 0.000 0.326 474 G HA3 -0.376 3.584 3.960 0.000 0.000 0.326 474 G C 0.355 175.307 174.900 0.086 0.000 1.231 474 G CA 0.593 45.728 45.100 0.058 0.000 0.992 474 G HN 0.634 nan 8.290 nan 0.000 0.549 475 N N 0.135 118.893 118.700 0.098 0.000 2.327 475 N HA 0.321 5.061 4.740 0.000 0.000 0.231 475 N C -0.247 175.359 175.510 0.160 0.000 1.130 475 N CA -0.241 52.871 53.050 0.104 0.000 0.845 475 N CB 0.294 38.824 38.487 0.073 0.000 1.073 475 N HN 0.460 nan 8.380 nan 0.000 0.496 476 Y N 1.035 121.361 120.300 0.044 0.000 2.335 476 Y HA 0.510 5.060 4.550 0.000 0.000 0.331 476 Y C 0.472 176.430 175.900 0.097 0.000 1.094 476 Y CA -0.134 58.004 58.100 0.064 0.000 1.253 476 Y CB 0.648 39.136 38.460 0.047 0.000 1.203 476 Y HN -0.014 nan 8.280 nan 0.000 0.508 477 G N 3.872 112.511 108.800 -0.269 0.000 2.663 477 G HA2 0.280 4.240 3.960 0.000 0.000 0.299 477 G HA3 0.280 4.240 3.960 0.000 0.000 0.299 477 G C -2.544 172.306 174.900 -0.083 0.000 1.372 477 G CA -0.909 44.103 45.100 -0.146 0.000 0.781 477 G HN 0.568 nan 8.290 nan 0.000 0.491 478 Y N 1.377 121.621 120.300 -0.094 0.000 2.341 478 Y HA 0.634 5.184 4.550 0.000 0.000 0.337 478 Y C -0.321 175.480 175.900 -0.166 0.000 1.014 478 Y CA -1.517 56.487 58.100 -0.161 0.000 1.111 478 Y CB 1.750 40.138 38.460 -0.120 0.000 1.194 478 Y HN 0.452 nan 8.280 nan 0.000 0.462 479 N N 4.777 123.013 118.700 -0.773 0.000 2.527 479 N HA 0.264 5.004 4.740 0.000 0.000 0.236 479 N C 0.238 175.223 175.510 -0.874 0.000 0.999 479 N CA 0.376 53.084 53.050 -0.570 0.000 0.935 479 N CB 1.390 39.664 38.487 -0.355 0.000 1.132 479 N HN 0.880 nan 8.380 nan 0.000 0.511 480 A N 3.808 126.288 122.820 -0.566 0.000 1.972 480 A HA -0.035 4.285 4.320 0.000 0.000 0.219 480 A C 2.045 179.490 177.584 -0.232 0.000 1.169 480 A CA 1.758 53.591 52.037 -0.341 0.000 0.635 480 A CB -0.662 18.311 19.000 -0.045 0.000 0.810 480 A HN 0.727 nan 8.150 nan 0.000 0.446 481 A N -0.419 122.280 122.820 -0.201 0.000 1.858 481 A HA -0.095 4.225 4.320 0.000 0.000 0.216 481 A C 2.388 179.881 177.584 -0.153 0.000 1.190 481 A CA 2.484 54.440 52.037 -0.135 0.000 0.617 481 A CB -1.121 17.818 19.000 -0.102 0.000 0.827 481 A HN 0.833 nan 8.150 nan 0.000 0.443 482 T N -4.297 110.131 114.554 -0.211 0.000 3.060 482 T HA 0.257 4.607 4.350 0.000 0.000 0.249 482 T C 0.390 174.960 174.700 -0.218 0.000 1.079 482 T CA 0.869 62.864 62.100 -0.176 0.000 1.013 482 T CB -0.160 68.614 68.868 -0.156 0.000 0.975 482 T HN 0.548 nan 8.240 nan 0.000 0.518 483 E N 1.210 121.192 120.200 -0.363 0.000 2.868 483 E HA -0.165 4.185 4.350 0.000 0.000 0.278 483 E C -0.206 176.210 176.600 -0.307 0.000 1.009 483 E CA 0.945 57.150 56.400 -0.326 0.000 0.856 483 E CB -1.222 28.429 29.700 -0.081 0.000 1.428 483 E HN 0.969 nan 8.360 nan 0.000 0.423 484 E N -0.983 118.954 120.200 -0.439 0.000 2.416 484 E HA 0.486 4.836 4.350 0.000 0.000 0.273 484 E C -0.709 175.662 176.600 -0.382 0.000 0.935 484 E CA -0.974 55.237 56.400 -0.316 0.000 0.784 484 E CB 0.959 30.603 29.700 -0.094 0.000 1.301 484 E HN 0.045 nan 8.360 nan 0.000 0.454 485 Y N -0.026 120.277 120.300 0.004 0.000 2.300 485 Y HA 0.633 5.183 4.550 0.000 0.000 0.328 485 Y C 1.072 176.932 175.900 -0.067 0.000 1.270 485 Y CA 0.874 58.924 58.100 -0.084 0.000 1.352 485 Y CB 1.733 40.141 38.460 -0.087 0.000 1.286 485 Y HN 0.851 nan 8.280 nan 0.000 0.536 486 G N 0.562 109.373 108.800 0.018 0.000 2.317 486 G HA2 0.013 3.973 3.960 0.000 0.000 0.293 486 G HA3 0.013 3.973 3.960 0.000 0.000 0.293 486 G C -1.998 172.966 174.900 0.107 0.000 1.287 486 G CA -1.189 43.983 45.100 0.120 0.000 0.850 486 G HN 0.545 nan 8.290 nan 0.000 0.515 487 N N 1.063 119.836 118.700 0.121 0.000 2.406 487 N HA 0.131 4.871 4.740 0.000 0.000 0.251 487 N C 1.771 177.310 175.510 0.049 0.000 1.069 487 N CA -0.526 52.590 53.050 0.111 0.000 0.947 487 N CB 0.816 39.363 38.487 0.101 0.000 1.111 487 N HN 0.403 nan 8.380 nan 0.000 0.497 488 M N 3.494 123.115 119.600 0.036 0.000 2.073 488 M HA -0.197 4.283 4.480 0.000 0.000 0.258 488 M C 1.685 177.992 176.300 0.011 0.000 1.070 488 M CA 1.291 56.596 55.300 0.009 0.000 1.103 488 M CB -0.790 31.816 32.600 0.010 0.000 1.321 488 M HN 0.525 nan 8.290 nan 0.000 0.405 489 I N 0.568 121.151 120.570 0.022 0.000 2.264 489 I HA -0.274 3.896 4.170 0.000 0.000 0.248 489 I C 1.876 178.002 176.117 0.014 0.000 1.111 489 I CA 1.486 62.796 61.300 0.017 0.000 1.382 489 I CB -1.552 36.462 38.000 0.022 0.000 1.060 489 I HN 0.271 nan 8.210 nan 0.000 0.418 490 D N 0.746 121.157 120.400 0.019 0.000 2.149 490 D HA -0.085 4.555 4.640 0.000 0.000 0.201 490 D C 2.027 178.331 176.300 0.006 0.000 0.972 490 D CA 1.011 55.020 54.000 0.016 0.000 0.835 490 D CB -0.067 40.748 40.800 0.025 0.000 0.966 490 D HN 0.377 nan 8.370 nan 0.000 0.476 491 M N -0.553 119.046 119.600 -0.001 0.000 2.581 491 M HA 0.247 4.727 4.480 0.000 0.000 0.224 491 M C 0.993 177.282 176.300 -0.019 0.000 1.171 491 M CA 0.224 55.514 55.300 -0.016 0.000 0.993 491 M CB 0.399 32.978 32.600 -0.035 0.000 1.685 491 M HN -0.050 nan 8.290 nan 0.000 0.479 492 G N 2.159 110.954 108.800 -0.009 0.000 2.179 492 G HA2 -0.254 3.706 3.960 0.000 0.000 0.257 492 G HA3 -0.254 3.706 3.960 0.000 0.000 0.257 492 G C 0.070 174.964 174.900 -0.011 0.000 1.010 492 G CA -0.037 45.058 45.100 -0.008 0.000 0.736 492 G HN 0.616 nan 8.290 nan 0.000 0.513 493 I N 1.435 121.997 120.570 -0.014 0.000 2.318 493 I HA 0.313 4.483 4.170 0.000 0.000 0.285 493 I C 0.712 176.827 176.117 -0.003 0.000 1.127 493 I CA -0.419 60.872 61.300 -0.015 0.000 1.243 493 I CB 0.044 38.027 38.000 -0.027 0.000 1.498 493 I HN 0.036 nan 8.210 nan 0.000 0.535 494 L N 3.342 124.566 121.223 0.001 0.000 2.343 494 L HA 0.562 4.902 4.340 0.000 0.000 0.275 494 L C -0.420 176.455 176.870 0.009 0.000 1.056 494 L CA -0.794 54.050 54.840 0.007 0.000 0.804 494 L CB 0.926 42.990 42.059 0.009 0.000 1.203 494 L HN 0.276 nan 8.230 nan 0.000 0.440 495 D N 1.409 121.816 120.400 0.013 0.000 2.342 495 D HA 0.426 5.066 4.640 0.000 0.000 0.243 495 D C -2.553 173.757 176.300 0.017 0.000 1.019 495 D CA -1.496 52.513 54.000 0.015 0.000 0.864 495 D CB 2.106 42.916 40.800 0.016 0.000 1.315 495 D HN 0.201 nan 8.370 nan 0.000 0.468 496 P HA 0.156 nan 4.420 nan 0.000 0.275 496 P C 0.692 178.003 177.300 0.018 0.000 1.227 496 P CA -0.221 62.891 63.100 0.021 0.000 0.781 496 P CB 0.806 32.523 31.700 0.028 0.000 0.906 497 T N 2.024 116.586 114.554 0.014 0.000 2.652 497 T HA -0.210 4.140 4.350 0.000 0.000 0.267 497 T C 1.640 176.344 174.700 0.007 0.000 1.039 497 T CA 1.385 63.490 62.100 0.008 0.000 1.153 497 T CB -0.492 68.379 68.868 0.005 0.000 0.863 497 T HN 0.487 nan 8.240 nan 0.000 0.428 498 K N 0.850 121.256 120.400 0.010 0.000 2.107 498 K HA -0.192 4.128 4.320 0.000 0.000 0.211 498 K C 2.398 179.009 176.600 0.018 0.000 1.049 498 K CA 1.924 58.217 56.287 0.011 0.000 0.927 498 K CB -0.524 31.988 32.500 0.020 0.000 0.714 498 K HN 0.324 nan 8.250 nan 0.000 0.452 499 V N -0.314 119.618 119.914 0.031 0.000 2.358 499 V HA -0.168 3.952 4.120 0.000 0.000 0.246 499 V C 1.761 177.871 176.094 0.026 0.000 1.047 499 V CA 2.426 64.750 62.300 0.041 0.000 1.035 499 V CB -0.692 31.161 31.823 0.050 0.000 0.658 499 V HN 0.384 nan 8.190 nan 0.000 0.452 500 T N 0.546 115.109 114.554 0.015 0.000 2.788 500 T HA -0.137 4.213 4.350 0.000 0.000 0.268 500 T C 2.041 176.736 174.700 -0.008 0.000 1.044 500 T CA 1.863 63.969 62.100 0.009 0.000 1.139 500 T CB -0.405 68.469 68.868 0.009 0.000 0.867 500 T HN 0.511 nan 8.240 nan 0.000 0.454 501 R N 0.995 121.482 120.500 -0.022 0.000 2.062 501 R HA -0.031 4.309 4.340 0.000 0.000 0.231 501 R C 2.558 178.795 176.300 -0.105 0.000 1.136 501 R CA 1.666 57.735 56.100 -0.052 0.000 0.948 501 R CB -0.731 29.540 30.300 -0.048 0.000 0.845 501 R HN 0.270 nan 8.270 nan 0.000 0.430 502 S N 0.747 116.383 115.700 -0.106 0.000 2.356 502 S HA -0.117 4.353 4.470 0.000 0.000 0.223 502 S C 2.054 176.591 174.600 -0.105 0.000 1.032 502 S CA 1.263 59.340 58.200 -0.207 0.000 1.005 502 S CB -0.361 62.836 63.200 -0.006 0.000 0.867 502 S HN 0.564 nan 8.310 nan 0.000 0.449 503 A N 1.912 124.751 122.820 0.032 0.000 1.884 503 A HA -0.163 4.157 4.320 0.000 0.000 0.219 503 A C 2.125 179.721 177.584 0.019 0.000 1.197 503 A CA 1.632 53.710 52.037 0.070 0.000 0.637 503 A CB -1.039 17.992 19.000 0.053 0.000 0.827 503 A HN 0.465 nan 8.150 nan 0.000 0.450 504 L N -0.687 120.521 121.223 -0.025 0.000 1.989 504 L HA -0.273 4.067 4.340 0.000 0.000 0.211 504 L C 2.829 179.662 176.870 -0.062 0.000 1.071 504 L CA 2.431 57.253 54.840 -0.030 0.000 0.749 504 L CB -0.853 41.187 42.059 -0.032 0.000 0.890 504 L HN 0.584 nan 8.230 nan 0.000 0.431 505 Q N -1.102 118.602 119.800 -0.160 0.000 2.045 505 Q HA -0.269 4.071 4.340 0.000 0.000 0.206 505 Q C 2.052 177.978 176.000 -0.124 0.000 0.991 505 Q CA 2.190 57.868 55.803 -0.208 0.000 0.851 505 Q CB -0.323 28.189 28.738 -0.376 0.000 0.911 505 Q HN 0.489 nan 8.270 nan 0.000 0.418 506 Y N -0.143 120.165 120.300 0.014 0.000 2.200 506 Y HA -0.130 4.420 4.550 0.000 0.000 0.290 506 Y C 2.346 178.253 175.900 0.013 0.000 1.137 506 Y CA 0.818 58.926 58.100 0.014 0.000 1.163 506 Y CB -0.864 37.605 38.460 0.015 0.000 0.988 506 Y HN 0.142 nan 8.280 nan 0.000 0.518 507 A N -0.064 122.849 122.820 0.155 0.000 1.929 507 A HA -0.005 4.315 4.320 0.000 0.000 0.216 507 A C 2.487 180.113 177.584 0.070 0.000 1.176 507 A CA 1.492 53.588 52.037 0.098 0.000 0.628 507 A CB -1.119 17.921 19.000 0.068 0.000 0.816 507 A HN 0.360 nan 8.150 nan 0.000 0.444 508 A N -0.539 122.311 122.820 0.051 0.000 1.883 508 A HA -0.151 4.169 4.320 0.000 0.000 0.217 508 A C 2.486 180.097 177.584 0.044 0.000 1.186 508 A CA 2.288 54.346 52.037 0.034 0.000 0.624 508 A CB -1.082 17.927 19.000 0.014 0.000 0.822 508 A HN 0.561 nan 8.150 nan 0.000 0.444 509 S N -0.768 114.971 115.700 0.064 0.000 2.351 509 S HA -0.154 4.316 4.470 0.000 0.000 0.220 509 S C 1.950 176.588 174.600 0.064 0.000 1.035 509 S CA 1.875 60.118 58.200 0.071 0.000 1.031 509 S CB -0.652 62.615 63.200 0.113 0.000 0.928 509 S HN 0.317 nan 8.310 nan 0.000 0.433 510 V N 2.311 122.269 119.914 0.073 0.000 2.220 510 V HA -0.175 3.945 4.120 0.000 0.000 0.246 510 V C 2.911 179.028 176.094 0.040 0.000 1.049 510 V CA 2.062 64.392 62.300 0.051 0.000 1.003 510 V CB -1.488 30.363 31.823 0.047 0.000 0.634 510 V HN 0.647 nan 8.190 nan 0.000 0.444 511 A N 0.301 123.144 122.820 0.039 0.000 1.978 511 A HA -0.115 4.205 4.320 0.000 0.000 0.220 511 A C 2.377 179.977 177.584 0.026 0.000 1.170 511 A CA 1.966 54.021 52.037 0.030 0.000 0.636 511 A CB -1.310 17.707 19.000 0.028 0.000 0.810 511 A HN 0.592 nan 8.150 nan 0.000 0.448 512 G N 0.128 108.944 108.800 0.028 0.000 2.553 512 G HA2 -0.286 3.674 3.960 0.000 0.000 0.218 512 G HA3 -0.286 3.674 3.960 0.000 0.000 0.218 512 G C 1.562 176.476 174.900 0.023 0.000 1.195 512 G CA 1.222 46.336 45.100 0.024 0.000 0.779 512 G HN 0.448 nan 8.290 nan 0.000 0.577 513 L N -0.526 120.712 121.223 0.026 0.000 2.012 513 L HA -0.061 4.279 4.340 0.000 0.000 0.210 513 L C 2.977 179.860 176.870 0.022 0.000 1.073 513 L CA 1.501 56.355 54.840 0.024 0.000 0.748 513 L CB -0.277 41.798 42.059 0.026 0.000 0.891 513 L HN 0.291 nan 8.230 nan 0.000 0.431 514 M N 0.045 119.658 119.600 0.023 0.000 2.202 514 M HA -0.221 4.259 4.480 0.000 0.000 0.262 514 M C 1.994 178.304 176.300 0.017 0.000 1.063 514 M CA 1.763 57.075 55.300 0.021 0.000 1.097 514 M CB -0.119 32.493 32.600 0.022 0.000 1.382 514 M HN 0.285 nan 8.290 nan 0.000 0.413 515 I N -2.632 117.948 120.570 0.017 0.000 3.291 515 I HA -0.034 4.136 4.170 0.000 0.000 0.279 515 I C 1.400 177.525 176.117 0.014 0.000 1.294 515 I CA 1.024 62.332 61.300 0.014 0.000 1.428 515 I CB -1.008 37.000 38.000 0.013 0.000 1.070 515 I HN 0.226 nan 8.210 nan 0.000 0.478 516 T N -2.589 111.975 114.554 0.017 0.000 3.206 516 T HA 0.169 4.519 4.350 0.000 0.000 0.253 516 T C 0.707 175.419 174.700 0.021 0.000 1.042 516 T CA -0.240 61.871 62.100 0.018 0.000 0.931 516 T CB -0.718 68.161 68.868 0.019 0.000 1.029 516 T HN 0.149 nan 8.240 nan 0.000 0.564 517 T N 2.666 117.232 114.554 0.019 0.000 2.851 517 T HA 0.266 4.616 4.350 0.000 0.000 0.298 517 T C 0.796 175.512 174.700 0.026 0.000 0.977 517 T CA -0.073 62.040 62.100 0.021 0.000 1.126 517 T CB 1.286 70.162 68.868 0.013 0.000 0.916 517 T HN 0.454 nan 8.240 nan 0.000 0.529 518 E N 1.195 121.421 120.200 0.044 0.000 2.571 518 E HA 0.221 4.571 4.350 0.000 0.000 0.222 518 E C -0.192 176.483 176.600 0.123 0.000 0.904 518 E CA -0.200 56.243 56.400 0.072 0.000 1.157 518 E CB 0.528 30.273 29.700 0.075 0.000 1.158 518 E HN 0.580 nan 8.360 nan 0.000 0.540 519 C N 0.271 119.617 119.300 0.077 0.000 3.082 519 C HA 0.758 5.218 4.460 0.000 0.000 0.324 519 C C -1.684 173.266 174.990 -0.066 0.000 1.210 519 C CA -0.649 58.374 59.018 0.007 0.000 1.366 519 C CB 0.640 28.463 27.740 0.139 0.000 1.756 519 C HN 0.315 nan 8.230 nan 0.000 0.485 520 M N 4.218 123.730 119.600 -0.148 0.000 2.386 520 M HA 0.623 5.103 4.480 0.000 0.000 0.293 520 M C -1.316 175.021 176.300 0.063 0.000 1.120 520 M CA -0.563 54.734 55.300 -0.005 0.000 0.909 520 M CB 2.321 34.946 32.600 0.042 0.000 1.661 520 M HN 0.438 nan 8.290 nan 0.000 0.452 521 V N 1.372 121.336 119.914 0.084 0.000 2.482 521 V HA 0.732 4.852 4.120 0.000 0.000 0.295 521 V C -0.443 175.665 176.094 0.022 0.000 1.026 521 V CA -0.358 61.971 62.300 0.048 0.000 0.856 521 V CB 1.908 33.734 31.823 0.005 0.000 1.001 521 V HN 0.961 nan 8.190 nan 0.000 0.424 522 T N 2.166 116.697 114.554 -0.038 0.000 2.787 522 T HA 0.452 4.802 4.350 0.000 0.000 0.297 522 T C -1.193 173.414 174.700 -0.155 0.000 1.221 522 T CA -0.510 61.510 62.100 -0.133 0.000 1.006 522 T CB 1.946 70.637 68.868 -0.294 0.000 1.328 522 T HN 0.578 nan 8.240 nan 0.000 0.509 523 D N 1.111 121.421 120.400 -0.150 0.000 2.361 523 D HA 0.330 4.970 4.640 0.000 0.000 0.239 523 D C 0.116 176.327 176.300 -0.148 0.000 1.200 523 D CA 0.032 53.959 54.000 -0.123 0.000 0.915 523 D CB 0.316 41.060 40.800 -0.093 0.000 1.170 523 D HN 0.384 nan 8.370 nan 0.000 0.444 524 L N 2.096 123.260 121.223 -0.097 0.000 2.371 524 L HA 0.261 4.601 4.340 0.000 0.000 0.272 524 L C -1.429 175.389 176.870 -0.086 0.000 1.124 524 L CA -1.547 53.240 54.840 -0.087 0.000 0.816 524 L CB 0.509 42.538 42.059 -0.049 0.000 1.129 524 L HN 0.354 nan 8.230 nan 0.000 0.448 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.060 63.100 -0.067 0.000 0.800 525 P CB 0.000 31.670 31.700 -0.051 0.000 0.726