REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2c7d_1_C DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 3 A N 2.794 125.612 122.820 -0.004 0.000 2.371 3 A HA 0.690 5.011 4.320 0.001 0.000 0.257 3 A C 0.156 177.739 177.584 -0.001 0.000 1.089 3 A CA -0.130 51.907 52.037 -0.000 0.000 0.794 3 A CB 0.310 19.312 19.000 0.005 0.000 1.029 3 A HN 0.619 nan 8.150 nan 0.000 0.488 4 K N 1.243 121.645 120.400 0.003 0.000 2.156 4 K HA 0.388 4.708 4.320 0.001 0.000 0.250 4 K C -0.904 175.718 176.600 0.036 0.000 0.955 4 K CA -0.673 55.617 56.287 0.005 0.000 0.855 4 K CB 1.555 34.052 32.500 -0.005 0.000 1.101 4 K HN 0.776 nan 8.250 nan 0.000 0.434 5 D N 0.919 121.361 120.400 0.071 0.000 2.253 5 D HA 0.419 5.060 4.640 0.001 0.000 0.249 5 D C -1.098 175.320 176.300 0.197 0.000 1.049 5 D CA -0.506 53.593 54.000 0.164 0.000 0.929 5 D CB 1.265 42.253 40.800 0.313 0.000 1.176 5 D HN 0.236 nan 8.370 nan 0.000 0.437 6 V N -0.744 119.269 119.914 0.166 0.000 2.711 6 V HA 0.663 4.784 4.120 0.001 0.000 0.304 6 V C -1.105 174.955 176.094 -0.057 0.000 1.097 6 V CA -0.823 61.508 62.300 0.052 0.000 0.906 6 V CB 1.662 33.441 31.823 -0.073 0.000 1.015 6 V HN 0.470 nan 8.190 nan 0.000 0.427 7 K N 4.242 124.581 120.400 -0.102 0.000 2.501 7 K HA 0.664 4.985 4.320 0.001 0.000 0.252 7 K C -1.572 174.905 176.600 -0.206 0.000 0.934 7 K CA -0.440 55.724 56.287 -0.205 0.000 0.797 7 K CB 2.842 35.084 32.500 -0.430 0.000 1.270 7 K HN 0.628 nan 8.250 nan 0.000 0.431 8 F N 0.460 120.396 119.950 -0.022 0.000 2.378 8 F HA 0.272 4.799 4.527 0.001 0.000 0.325 8 F C 1.784 177.577 175.800 -0.013 0.000 1.097 8 F CA 0.979 58.977 58.000 -0.004 0.000 1.079 8 F CB 1.021 40.016 39.000 -0.008 0.000 1.240 8 F HN 0.890 nan 8.300 nan 0.000 0.519 9 G N 1.711 110.645 108.800 0.224 0.000 2.987 9 G HA2 -0.558 3.403 3.960 0.001 0.000 0.363 9 G HA3 -0.558 3.403 3.960 0.001 0.000 0.363 9 G C 1.279 176.225 174.900 0.076 0.000 1.224 9 G CA 1.705 46.884 45.100 0.132 0.000 1.042 9 G HN 0.764 nan 8.290 nan 0.000 0.644 10 N N 1.045 119.780 118.700 0.057 0.000 2.025 10 N HA -0.040 4.701 4.740 0.001 0.000 0.194 10 N C 1.903 177.417 175.510 0.007 0.000 1.069 10 N CA 2.465 55.529 53.050 0.025 0.000 0.855 10 N CB -0.540 37.955 38.487 0.013 0.000 1.054 10 N HN 0.544 nan 8.380 nan 0.000 0.427 11 D N -0.188 120.200 120.400 -0.019 0.000 2.182 11 D HA -0.095 4.546 4.640 0.001 0.000 0.201 11 D C 1.790 178.027 176.300 -0.105 0.000 0.986 11 D CA 1.343 55.294 54.000 -0.081 0.000 0.847 11 D CB -0.439 40.279 40.800 -0.137 0.000 0.942 11 D HN 0.483 nan 8.370 nan 0.000 0.467 12 A N 1.047 123.832 122.820 -0.059 0.000 1.829 12 A HA -0.231 4.090 4.320 0.001 0.000 0.216 12 A C 2.122 179.746 177.584 0.065 0.000 1.207 12 A CA 1.669 53.725 52.037 0.031 0.000 0.622 12 A CB -0.622 18.420 19.000 0.069 0.000 0.846 12 A HN 0.105 nan 8.150 nan 0.000 0.447 13 R N -0.861 119.671 120.500 0.053 0.000 2.120 13 R HA -0.048 4.293 4.340 0.001 0.000 0.234 13 R C 2.015 178.338 176.300 0.039 0.000 1.123 13 R CA 1.192 57.322 56.100 0.050 0.000 0.975 13 R CB -0.514 29.811 30.300 0.043 0.000 0.866 13 R HN 0.412 nan 8.270 nan 0.000 0.446 14 V N 1.351 121.280 119.914 0.025 0.000 2.270 14 V HA -0.239 3.882 4.120 0.001 0.000 0.245 14 V C 2.280 178.391 176.094 0.028 0.000 1.043 14 V CA 1.633 63.944 62.300 0.018 0.000 1.014 14 V CB -0.311 31.514 31.823 0.002 0.000 0.645 14 V HN 0.205 nan 8.190 nan 0.000 0.447 15 K N -0.553 119.867 120.400 0.034 0.000 2.097 15 K HA -0.108 4.213 4.320 0.001 0.000 0.205 15 K C 2.116 178.773 176.600 0.095 0.000 1.050 15 K CA 1.545 57.874 56.287 0.070 0.000 0.938 15 K CB -0.512 32.048 32.500 0.099 0.000 0.718 15 K HN 0.445 nan 8.250 nan 0.000 0.442 16 M N 0.711 120.373 119.600 0.103 0.000 2.082 16 M HA -0.237 4.244 4.480 0.001 0.000 0.258 16 M C 2.120 178.452 176.300 0.053 0.000 1.069 16 M CA 1.516 56.865 55.300 0.082 0.000 1.102 16 M CB -0.163 32.485 32.600 0.080 0.000 1.336 16 M HN 0.072 nan 8.290 nan 0.000 0.404 17 L N 0.638 121.888 121.223 0.044 0.000 2.017 17 L HA -0.197 4.144 4.340 0.001 0.000 0.208 17 L C 2.360 179.249 176.870 0.031 0.000 1.073 17 L CA 1.897 56.756 54.840 0.033 0.000 0.745 17 L CB -0.717 41.359 42.059 0.028 0.000 0.894 17 L HN 0.273 nan 8.230 nan 0.000 0.432 18 R N -0.616 119.904 120.500 0.033 0.000 2.091 18 R HA -0.143 4.198 4.340 0.001 0.000 0.238 18 R C 2.193 178.511 176.300 0.030 0.000 1.136 18 R CA 1.281 57.398 56.100 0.030 0.000 0.959 18 R CB -1.085 29.234 30.300 0.031 0.000 0.856 18 R HN 0.597 nan 8.270 nan 0.000 0.437 19 G N 0.588 109.411 108.800 0.038 0.000 2.421 19 G HA2 -0.220 3.741 3.960 0.001 0.000 0.216 19 G HA3 -0.220 3.741 3.960 0.001 0.000 0.216 19 G C 1.504 176.418 174.900 0.023 0.000 1.171 19 G CA 0.722 45.841 45.100 0.031 0.000 0.775 19 G HN 0.129 nan 8.290 nan 0.000 0.543 20 V N 1.455 121.384 119.914 0.025 0.000 2.282 20 V HA -0.279 3.842 4.120 0.001 0.000 0.249 20 V C 2.586 178.691 176.094 0.019 0.000 1.057 20 V CA 2.402 64.715 62.300 0.022 0.000 1.032 20 V CB -0.759 31.078 31.823 0.024 0.000 0.645 20 V HN 0.455 nan 8.190 nan 0.000 0.447 21 N N -0.410 118.301 118.700 0.019 0.000 2.142 21 N HA -0.129 4.612 4.740 0.001 0.000 0.186 21 N C 1.708 177.227 175.510 0.014 0.000 1.023 21 N CA 1.198 54.258 53.050 0.016 0.000 0.852 21 N CB -0.257 38.240 38.487 0.016 0.000 0.998 21 N HN 0.266 nan 8.380 nan 0.000 0.424 22 V N 1.506 121.429 119.914 0.015 0.000 2.380 22 V HA -0.195 3.926 4.120 0.001 0.000 0.251 22 V C 2.105 178.205 176.094 0.010 0.000 1.063 22 V CA 1.241 63.548 62.300 0.012 0.000 1.055 22 V CB -0.452 31.379 31.823 0.013 0.000 0.657 22 V HN 0.388 nan 8.190 nan 0.000 0.455 23 L N 0.251 121.481 121.223 0.011 0.000 1.993 23 L HA 0.012 4.352 4.340 0.001 0.000 0.206 23 L C 2.448 179.325 176.870 0.011 0.000 1.074 23 L CA 2.742 57.587 54.840 0.010 0.000 0.746 23 L CB -1.357 40.708 42.059 0.010 0.000 0.896 23 L HN 0.303 nan 8.230 nan 0.000 0.435 24 A N -0.858 121.970 122.820 0.014 0.000 1.970 24 A HA -0.145 4.176 4.320 0.001 0.000 0.216 24 A C 1.764 179.356 177.584 0.014 0.000 1.170 24 A CA 1.358 53.404 52.037 0.015 0.000 0.645 24 A CB -0.513 18.497 19.000 0.017 0.000 0.816 24 A HN 0.518 nan 8.150 nan 0.000 0.447 25 D N -0.134 120.274 120.400 0.013 0.000 2.277 25 D HA 0.178 4.819 4.640 0.001 0.000 0.208 25 D C 2.034 178.340 176.300 0.010 0.000 0.962 25 D CA 0.974 54.981 54.000 0.011 0.000 0.865 25 D CB -0.011 40.795 40.800 0.011 0.000 0.939 25 D HN 0.424 nan 8.370 nan 0.000 0.510 26 A N 0.216 123.041 122.820 0.009 0.000 1.832 26 A HA -0.101 4.220 4.320 0.001 0.000 0.214 26 A C 2.316 179.905 177.584 0.008 0.000 1.204 26 A CA 0.872 52.913 52.037 0.007 0.000 0.606 26 A CB -0.894 18.109 19.000 0.005 0.000 0.849 26 A HN 0.105 nan 8.150 nan 0.000 0.445 27 V N 0.483 120.403 119.914 0.010 0.000 2.453 27 V HA -0.325 3.796 4.120 0.001 0.000 0.252 27 V C 2.425 178.527 176.094 0.013 0.000 1.068 27 V CA 2.416 64.723 62.300 0.012 0.000 1.070 27 V CB -0.795 31.037 31.823 0.014 0.000 0.664 27 V HN 0.556 nan 8.190 nan 0.000 0.461 28 K N 0.039 120.446 120.400 0.012 0.000 2.173 28 K HA -0.189 4.131 4.320 0.001 0.000 0.207 28 K C 1.772 178.379 176.600 0.011 0.000 1.046 28 K CA 1.773 58.068 56.287 0.012 0.000 0.929 28 K CB -0.364 32.143 32.500 0.012 0.000 0.720 28 K HN 0.628 nan 8.250 nan 0.000 0.453 29 V N -1.077 118.843 119.914 0.009 0.000 3.592 29 V HA -0.034 4.086 4.120 0.001 0.000 0.272 29 V C 1.401 177.499 176.094 0.007 0.000 1.228 29 V CA 1.587 63.892 62.300 0.007 0.000 1.173 29 V CB -0.701 31.125 31.823 0.006 0.000 0.873 29 V HN 0.325 nan 8.190 nan 0.000 0.476 30 T N -2.859 111.700 114.554 0.008 0.000 3.001 30 T HA 0.370 4.721 4.350 0.001 0.000 0.251 30 T C 0.278 174.981 174.700 0.006 0.000 1.040 30 T CA -0.057 62.047 62.100 0.007 0.000 0.985 30 T CB 0.281 69.154 68.868 0.009 0.000 1.011 30 T HN 0.346 nan 8.240 nan 0.000 0.509 31 L N 2.028 123.255 121.223 0.007 0.000 2.325 31 L HA 0.728 5.069 4.340 0.001 0.000 0.279 31 L C 0.536 177.408 176.870 0.003 0.000 1.054 31 L CA 1.162 56.006 54.840 0.007 0.000 0.804 31 L CB 0.686 42.751 42.059 0.010 0.000 1.200 31 L HN 0.656 nan 8.230 nan 0.000 0.436 32 G N 4.246 113.045 108.800 -0.001 0.000 2.655 32 G HA2 -0.116 3.845 3.960 0.001 0.000 0.680 32 G HA3 -0.116 3.845 3.960 0.001 0.000 0.680 32 G C -2.427 172.464 174.900 -0.015 0.000 1.302 32 G CA -0.271 44.825 45.100 -0.008 0.000 0.872 32 G HN 0.526 nan 8.290 nan 0.000 0.540 33 P HA 0.043 nan 4.420 nan 0.000 0.225 33 P C 0.938 178.223 177.300 -0.024 0.000 1.156 33 P CA 1.234 64.315 63.100 -0.032 0.000 0.787 33 P CB 0.067 31.735 31.700 -0.053 0.000 0.802 34 K N 0.170 120.560 120.400 -0.017 0.000 2.446 34 K HA 0.266 4.586 4.320 0.001 0.000 0.203 34 K C 1.058 177.655 176.600 -0.004 0.000 1.027 34 K CA -0.256 56.026 56.287 -0.009 0.000 1.166 34 K CB 0.333 32.831 32.500 -0.004 0.000 0.869 34 K HN 0.037 nan 8.250 nan 0.000 0.504 35 G N 1.563 110.361 108.800 -0.005 0.000 2.380 35 G HA2 0.153 4.114 3.960 0.001 0.000 0.262 35 G HA3 0.153 4.114 3.960 0.001 0.000 0.262 35 G C -0.042 174.858 174.900 -0.001 0.000 1.243 35 G CA -0.407 44.693 45.100 -0.001 0.000 0.865 35 G HN 0.173 nan 8.290 nan 0.000 0.513 36 R N 1.479 121.980 120.500 0.001 0.000 2.745 36 R HA 0.463 4.804 4.340 0.001 0.000 0.214 36 R C -0.562 175.738 176.300 0.001 0.000 1.456 36 R CA -0.761 55.339 56.100 0.001 0.000 0.974 36 R CB 0.577 30.878 30.300 0.001 0.000 2.210 36 R HN 0.550 nan 8.270 nan 0.000 0.520 37 N N -1.226 117.475 118.700 0.001 0.000 2.357 37 N HA 0.415 5.156 4.740 0.001 0.000 0.284 37 N C -1.731 173.780 175.510 0.001 0.000 1.236 37 N CA -0.632 52.419 53.050 0.001 0.000 0.774 37 N CB 2.484 40.971 38.487 0.000 0.000 1.534 37 N HN 0.089 nan 8.380 nan 0.000 0.478 38 V N 0.779 120.694 119.914 0.002 0.000 2.628 38 V HA 0.555 4.676 4.120 0.001 0.000 0.306 38 V C -0.567 175.526 176.094 -0.002 0.000 1.045 38 V CA -0.780 61.520 62.300 0.000 0.000 0.905 38 V CB 1.865 33.689 31.823 0.002 0.000 0.997 38 V HN 0.375 nan 8.190 nan 0.000 0.436 39 V N 5.514 125.426 119.914 -0.004 0.000 2.398 39 V HA 0.505 4.626 4.120 0.001 0.000 0.286 39 V C -0.201 175.886 176.094 -0.011 0.000 1.026 39 V CA -0.433 61.863 62.300 -0.007 0.000 0.868 39 V CB 1.330 33.148 31.823 -0.008 0.000 0.982 39 V HN 0.600 nan 8.190 nan 0.000 0.443 40 L N 3.844 125.060 121.223 -0.012 0.000 2.334 40 L HA 0.785 5.126 4.340 0.001 0.000 0.273 40 L C -0.762 176.091 176.870 -0.028 0.000 1.013 40 L CA -0.429 54.400 54.840 -0.019 0.000 0.816 40 L CB 2.024 44.075 42.059 -0.012 0.000 1.278 40 L HN 0.674 nan 8.230 nan 0.000 0.431 41 D N 1.146 121.518 120.400 -0.046 0.000 2.753 41 D HA 0.503 5.144 4.640 0.001 0.000 0.224 41 D C -1.524 174.704 176.300 -0.120 0.000 1.213 41 D CA -0.517 53.443 54.000 -0.068 0.000 0.833 41 D CB 2.049 42.813 40.800 -0.060 0.000 1.607 41 D HN 0.372 nan 8.370 nan 0.000 0.463 42 K N 1.093 121.391 120.400 -0.170 0.000 2.525 42 K HA 0.301 4.622 4.320 0.001 0.000 0.254 42 K C 0.327 176.711 176.600 -0.359 0.000 0.934 42 K CA -0.700 55.373 56.287 -0.356 0.000 0.802 42 K CB 1.899 34.105 32.500 -0.489 0.000 1.295 42 K HN 0.414 nan 8.250 nan 0.000 0.433 43 S N 0.908 116.350 115.700 -0.430 0.000 2.500 43 S HA -0.104 4.367 4.470 0.001 0.000 0.239 43 S C 1.417 175.974 174.600 -0.071 0.000 0.989 43 S CA 0.720 58.790 58.200 -0.217 0.000 0.951 43 S CB -0.446 62.660 63.200 -0.157 0.000 0.759 43 S HN 0.500 nan 8.310 nan 0.000 0.523 44 F N 2.574 122.521 119.950 -0.006 0.000 2.269 44 F HA 0.292 4.820 4.527 0.001 0.000 0.301 44 F C 1.757 177.554 175.800 -0.005 0.000 1.082 44 F CA -0.154 57.842 58.000 -0.006 0.000 1.360 44 F CB -1.241 37.755 39.000 -0.007 0.000 1.041 44 F HN 0.482 nan 8.300 nan 0.000 0.512 45 G N -1.691 107.187 108.800 0.130 0.000 2.827 45 G HA2 0.625 4.585 3.960 0.001 0.000 0.202 45 G HA3 0.625 4.585 3.960 0.001 0.000 0.202 45 G C -1.427 173.488 174.900 0.026 0.000 1.185 45 G CA -0.121 45.023 45.100 0.074 0.000 0.920 45 G HN 0.284 nan 8.290 nan 0.000 0.550 46 A N -0.031 122.801 122.820 0.020 0.000 2.282 46 A HA 0.868 5.189 4.320 0.001 0.000 0.319 46 A C -2.161 175.421 177.584 -0.002 0.000 1.121 46 A CA -1.002 51.038 52.037 0.004 0.000 0.836 46 A CB 0.120 19.125 19.000 0.007 0.000 1.146 46 A HN 0.422 nan 8.150 nan 0.000 0.494 47 P HA 0.275 nan 4.420 nan 0.000 0.272 47 P C -0.488 176.809 177.300 -0.004 0.000 1.248 47 P CA 0.213 63.305 63.100 -0.013 0.000 0.799 47 P CB 0.335 32.026 31.700 -0.015 0.000 0.997 48 T N 0.794 115.345 114.554 -0.005 0.000 2.881 48 T HA 0.475 4.826 4.350 0.001 0.000 0.291 48 T C -0.024 174.675 174.700 -0.001 0.000 0.990 48 T CA -0.338 61.763 62.100 0.001 0.000 0.976 48 T CB 0.249 69.120 68.868 0.005 0.000 0.970 48 T HN 0.072 nan 8.240 nan 0.000 0.438 49 I N 2.689 123.259 120.570 -0.000 0.000 2.519 49 I HA 0.569 4.739 4.170 0.001 0.000 0.287 49 I C 0.878 176.996 176.117 0.002 0.000 1.047 49 I CA 0.227 61.527 61.300 -0.000 0.000 1.381 49 I CB 1.207 39.206 38.000 -0.001 0.000 1.417 49 I HN 0.534 nan 8.210 nan 0.000 0.540 50 T N 3.487 118.043 114.554 0.003 0.000 2.802 50 T HA 0.369 4.720 4.350 0.001 0.000 0.311 50 T C 0.199 174.902 174.700 0.006 0.000 1.405 50 T CA -0.708 61.396 62.100 0.006 0.000 1.016 50 T CB 1.269 70.142 68.868 0.009 0.000 1.352 50 T HN 0.652 nan 8.240 nan 0.000 0.498 51 K N 0.516 120.921 120.400 0.008 0.000 2.354 51 K HA 0.126 4.447 4.320 0.001 0.000 0.194 51 K C -0.031 176.577 176.600 0.014 0.000 1.038 51 K CA -0.254 56.038 56.287 0.009 0.000 1.052 51 K CB 0.250 32.755 32.500 0.008 0.000 0.861 51 K HN 0.453 nan 8.250 nan 0.000 0.535 52 D N 1.130 121.540 120.400 0.018 0.000 2.349 52 D HA -0.014 4.627 4.640 0.001 0.000 0.266 52 D C 1.022 177.334 176.300 0.021 0.000 1.293 52 D CA 0.143 54.157 54.000 0.024 0.000 0.926 52 D CB 1.071 41.887 40.800 0.028 0.000 1.090 52 D HN 0.231 nan 8.370 nan 0.000 0.502 53 G N 2.801 111.615 108.800 0.023 0.000 2.443 53 G HA2 -0.178 3.783 3.960 0.001 0.000 0.219 53 G HA3 -0.178 3.783 3.960 0.001 0.000 0.219 53 G C 1.389 176.302 174.900 0.020 0.000 1.131 53 G CA 0.525 45.637 45.100 0.021 0.000 0.775 53 G HN 0.484 nan 8.290 nan 0.000 0.547 54 V N 0.239 120.167 119.914 0.023 0.000 2.535 54 V HA -0.034 4.087 4.120 0.001 0.000 0.246 54 V C 2.880 178.982 176.094 0.015 0.000 1.045 54 V CA 2.283 64.594 62.300 0.019 0.000 1.058 54 V CB -0.012 31.823 31.823 0.019 0.000 0.689 54 V HN 0.324 nan 8.190 nan 0.000 0.461 55 S N -0.152 115.558 115.700 0.017 0.000 2.368 55 S HA -0.156 4.315 4.470 0.001 0.000 0.225 55 S C 1.890 176.496 174.600 0.009 0.000 1.030 55 S CA 1.592 59.801 58.200 0.014 0.000 0.999 55 S CB -0.119 63.091 63.200 0.018 0.000 0.844 55 S HN 0.466 nan 8.310 nan 0.000 0.459 56 V N 2.065 121.984 119.914 0.009 0.000 2.295 56 V HA -0.228 3.893 4.120 0.001 0.000 0.246 56 V C 2.660 178.757 176.094 0.004 0.000 1.049 56 V CA 1.782 64.085 62.300 0.006 0.000 1.024 56 V CB -1.227 30.600 31.823 0.007 0.000 0.648 56 V HN 0.543 nan 8.190 nan 0.000 0.447 57 A N -0.165 122.659 122.820 0.007 0.000 1.877 57 A HA -0.255 4.066 4.320 0.001 0.000 0.216 57 A C 2.351 179.936 177.584 0.001 0.000 1.186 57 A CA 1.987 54.027 52.037 0.005 0.000 0.620 57 A CB -0.558 18.447 19.000 0.008 0.000 0.822 57 A HN 0.501 nan 8.150 nan 0.000 0.443 58 R N -0.510 119.991 120.500 0.001 0.000 2.117 58 R HA -0.128 4.213 4.340 0.001 0.000 0.243 58 R C 1.832 178.130 176.300 -0.003 0.000 1.143 58 R CA 1.414 57.513 56.100 -0.001 0.000 0.968 58 R CB -0.200 30.101 30.300 0.002 0.000 0.863 58 R HN 0.465 nan 8.270 nan 0.000 0.444 59 E N 0.255 120.454 120.200 -0.003 0.000 2.347 59 E HA -0.056 4.295 4.350 0.001 0.000 0.196 59 E C 0.351 176.944 176.600 -0.010 0.000 1.008 59 E CA 0.414 56.810 56.400 -0.007 0.000 0.852 59 E CB 0.108 29.801 29.700 -0.010 0.000 0.783 59 E HN 0.181 nan 8.360 nan 0.000 0.505 60 I N 1.774 122.339 120.570 -0.008 0.000 2.471 60 I HA 0.112 4.282 4.170 0.001 0.000 0.286 60 I C 0.459 176.569 176.117 -0.012 0.000 1.079 60 I CA 0.236 61.531 61.300 -0.009 0.000 1.398 60 I CB 0.329 38.326 38.000 -0.005 0.000 1.403 60 I HN -0.053 nan 8.210 nan 0.000 0.530 61 E N 6.261 126.453 120.200 -0.013 0.000 2.335 61 E HA 0.521 4.872 4.350 0.001 0.000 0.280 61 E C -2.021 174.571 176.600 -0.014 0.000 0.918 61 E CA -0.614 55.776 56.400 -0.016 0.000 0.765 61 E CB 2.093 31.783 29.700 -0.017 0.000 1.218 61 E HN 0.268 nan 8.360 nan 0.000 0.425 62 L N 3.052 124.266 121.223 -0.014 0.000 2.350 62 L HA 0.314 4.655 4.340 0.001 0.000 0.260 62 L C 1.203 178.069 176.870 -0.007 0.000 1.015 62 L CA -0.260 54.576 54.840 -0.006 0.000 0.821 62 L CB 1.500 43.561 42.059 0.003 0.000 1.370 62 L HN 0.884 nan 8.230 nan 0.000 0.416 63 E N 0.472 120.673 120.200 0.002 0.000 2.072 63 E HA -0.148 4.202 4.350 0.001 0.000 0.190 63 E C 0.316 176.929 176.600 0.022 0.000 0.982 63 E CA 0.606 57.010 56.400 0.007 0.000 0.803 63 E CB 0.298 30.005 29.700 0.012 0.000 0.755 63 E HN 0.626 nan 8.360 nan 0.000 0.453 64 D N 0.782 121.206 120.400 0.040 0.000 2.349 64 D HA -0.053 4.587 4.640 0.001 0.000 0.266 64 D C 0.438 176.772 176.300 0.057 0.000 1.293 64 D CA 0.021 54.071 54.000 0.084 0.000 0.926 64 D CB 0.763 41.620 40.800 0.095 0.000 1.090 64 D HN 0.047 nan 8.370 nan 0.000 0.502 65 K N 3.405 123.813 120.400 0.014 0.000 2.288 65 K HA -0.084 4.237 4.320 0.001 0.000 0.201 65 K C 1.596 178.006 176.600 -0.316 0.000 1.048 65 K CA 0.643 56.815 56.287 -0.192 0.000 0.956 65 K CB -0.120 32.184 32.500 -0.326 0.000 0.746 65 K HN 0.480 nan 8.250 nan 0.000 0.461 66 F N 1.483 121.426 119.950 -0.011 0.000 2.335 66 F HA 0.031 4.558 4.527 0.000 0.000 0.296 66 F C 2.207 178.003 175.800 -0.006 0.000 1.091 66 F CA 0.638 58.631 58.000 -0.010 0.000 1.399 66 F CB -0.146 38.848 39.000 -0.010 0.000 1.067 66 F HN 0.047 nan 8.300 nan 0.000 0.520 67 E N 0.282 120.572 120.200 0.150 0.000 2.072 67 E HA -0.226 4.125 4.350 0.001 0.000 0.191 67 E C 1.743 178.359 176.600 0.027 0.000 0.985 67 E CA 1.229 57.674 56.400 0.075 0.000 0.801 67 E CB -0.315 29.425 29.700 0.066 0.000 0.750 67 E HN 0.343 nan 8.360 nan 0.000 0.452 68 N N 0.662 119.360 118.700 -0.003 0.000 2.043 68 N HA -0.190 4.551 4.740 0.001 0.000 0.193 68 N C 1.810 177.294 175.510 -0.043 0.000 1.037 68 N CA 1.539 54.570 53.050 -0.032 0.000 0.851 68 N CB 0.004 38.456 38.487 -0.059 0.000 1.027 68 N HN 0.052 nan 8.380 nan 0.000 0.422 69 M N -0.677 118.880 119.600 -0.071 0.000 2.080 69 M HA -0.081 4.400 4.480 0.001 0.000 0.260 69 M C 2.226 178.514 176.300 -0.020 0.000 1.068 69 M CA 1.803 57.064 55.300 -0.065 0.000 1.109 69 M CB -0.611 31.928 32.600 -0.103 0.000 1.342 69 M HN 0.361 nan 8.290 nan 0.000 0.405 70 G N -0.235 108.569 108.800 0.006 0.000 2.421 70 G HA2 -0.150 3.811 3.960 0.001 0.000 0.216 70 G HA3 -0.150 3.811 3.960 0.001 0.000 0.216 70 G C 1.621 176.527 174.900 0.011 0.000 1.171 70 G CA 0.982 46.093 45.100 0.019 0.000 0.775 70 G HN 0.548 nan 8.290 nan 0.000 0.543 71 A N 0.086 122.910 122.820 0.007 0.000 1.908 71 A HA -0.090 4.230 4.320 0.001 0.000 0.218 71 A C 2.359 179.941 177.584 -0.003 0.000 1.181 71 A CA 1.894 53.934 52.037 0.004 0.000 0.627 71 A CB -0.361 18.640 19.000 0.002 0.000 0.818 71 A HN 0.406 nan 8.150 nan 0.000 0.445 72 Q N -1.107 118.686 119.800 -0.012 0.000 2.172 72 Q HA -0.054 4.287 4.340 0.001 0.000 0.200 72 Q C 2.186 178.178 176.000 -0.013 0.000 0.964 72 Q CA 1.256 57.048 55.803 -0.017 0.000 0.855 72 Q CB -0.247 28.474 28.738 -0.029 0.000 0.918 72 Q HN 0.752 nan 8.270 nan 0.000 0.444 73 M N -0.075 119.519 119.600 -0.009 0.000 2.117 73 M HA -0.156 4.325 4.480 0.001 0.000 0.262 73 M C 2.253 178.555 176.300 0.004 0.000 1.065 73 M CA 1.176 56.474 55.300 -0.003 0.000 1.114 73 M CB -0.220 32.382 32.600 0.003 0.000 1.361 73 M HN 0.001 nan 8.290 nan 0.000 0.408 74 V N 0.398 120.318 119.914 0.008 0.000 2.515 74 V HA -0.258 3.863 4.120 0.001 0.000 0.250 74 V C 2.276 178.377 176.094 0.011 0.000 1.058 74 V CA 1.621 63.930 62.300 0.015 0.000 1.064 74 V CB -0.812 31.021 31.823 0.017 0.000 0.675 74 V HN 0.474 nan 8.190 nan 0.000 0.461 75 K N 0.105 120.506 120.400 0.003 0.000 2.152 75 K HA -0.265 4.056 4.320 0.001 0.000 0.206 75 K C 2.194 178.789 176.600 -0.008 0.000 1.048 75 K CA 1.917 58.203 56.287 -0.002 0.000 0.933 75 K CB -0.067 32.429 32.500 -0.007 0.000 0.721 75 K HN 0.591 nan 8.250 nan 0.000 0.447 76 E N 0.076 120.268 120.200 -0.013 0.000 2.028 76 E HA -0.169 4.182 4.350 0.001 0.000 0.191 76 E C 1.945 178.528 176.600 -0.027 0.000 0.988 76 E CA 1.243 57.627 56.400 -0.026 0.000 0.799 76 E CB -0.028 29.653 29.700 -0.031 0.000 0.755 76 E HN 0.206 nan 8.360 nan 0.000 0.447 77 V N 0.849 120.763 119.914 0.001 0.000 2.392 77 V HA -0.245 3.876 4.120 0.001 0.000 0.249 77 V C 2.183 178.307 176.094 0.050 0.000 1.059 77 V CA 2.235 64.557 62.300 0.037 0.000 1.051 77 V CB -0.480 31.391 31.823 0.080 0.000 0.658 77 V HN 0.412 nan 8.190 nan 0.000 0.455 78 A N -0.886 121.954 122.820 0.033 0.000 1.908 78 A HA -0.221 4.100 4.320 0.001 0.000 0.218 78 A C 2.551 180.147 177.584 0.021 0.000 1.181 78 A CA 2.507 54.563 52.037 0.033 0.000 0.627 78 A CB -1.029 17.984 19.000 0.022 0.000 0.818 78 A HN 0.604 nan 8.150 nan 0.000 0.445 79 S N -1.317 114.380 115.700 -0.004 0.000 2.395 79 S HA -0.064 4.406 4.470 0.001 0.000 0.225 79 S C 2.124 176.694 174.600 -0.050 0.000 1.027 79 S CA 1.079 59.265 58.200 -0.023 0.000 0.965 79 S CB -0.238 62.942 63.200 -0.033 0.000 0.812 79 S HN 0.428 nan 8.310 nan 0.000 0.482 80 K N 1.429 121.772 120.400 -0.095 0.000 2.147 80 K HA 0.038 4.359 4.320 0.001 0.000 0.205 80 K C 2.062 178.584 176.600 -0.130 0.000 1.049 80 K CA 1.096 57.230 56.287 -0.256 0.000 0.936 80 K CB -0.637 31.581 32.500 -0.469 0.000 0.722 80 K HN 0.399 nan 8.250 nan 0.000 0.446 81 A N 1.548 124.454 122.820 0.144 0.000 1.858 81 A HA -0.200 4.121 4.320 0.001 0.000 0.216 81 A C 2.100 179.749 177.584 0.109 0.000 1.190 81 A CA 1.770 53.957 52.037 0.249 0.000 0.617 81 A CB -0.733 18.376 19.000 0.183 0.000 0.827 81 A HN 0.461 nan 8.150 nan 0.000 0.443 82 N N -0.278 118.444 118.700 0.038 0.000 2.084 82 N HA -0.203 4.538 4.740 0.001 0.000 0.190 82 N C 1.223 176.698 175.510 -0.058 0.000 1.030 82 N CA 1.875 54.916 53.050 -0.015 0.000 0.849 82 N CB -0.247 38.232 38.487 -0.013 0.000 1.012 82 N HN 0.488 nan 8.380 nan 0.000 0.423 83 D N -0.081 120.288 120.400 -0.051 0.000 2.221 83 D HA -0.080 4.561 4.640 0.001 0.000 0.204 83 D C 1.759 178.036 176.300 -0.039 0.000 0.982 83 D CA 1.181 55.144 54.000 -0.062 0.000 0.857 83 D CB 0.018 40.769 40.800 -0.082 0.000 0.934 83 D HN 0.397 nan 8.370 nan 0.000 0.475 84 A N -0.112 122.716 122.820 0.013 0.000 1.887 84 A HA 0.461 4.782 4.320 0.001 0.000 0.212 84 A C 1.887 179.500 177.584 0.049 0.000 1.198 84 A CA 1.330 53.416 52.037 0.081 0.000 0.628 84 A CB 0.142 19.311 19.000 0.281 0.000 0.847 84 A HN 0.212 nan 8.150 nan 0.000 0.449 85 A N -3.378 119.462 122.820 0.032 0.000 2.701 85 A HA 0.489 4.810 4.320 0.001 0.000 0.241 85 A C 1.641 179.221 177.584 -0.008 0.000 1.231 85 A CA 1.025 53.076 52.037 0.022 0.000 1.003 85 A CB -0.424 18.607 19.000 0.052 0.000 1.281 85 A HN 1.955 nan 8.150 nan 0.000 0.600 86 G N 0.564 109.311 108.800 -0.088 0.000 5.452 86 G HA2 -0.370 3.591 3.960 0.001 0.000 0.310 86 G HA3 -0.370 3.591 3.960 0.001 0.000 0.310 86 G C 0.328 175.261 174.900 0.055 0.000 1.392 86 G CA 0.685 45.713 45.100 -0.119 0.000 0.942 86 G HN 0.731 nan 8.290 nan 0.000 0.776 87 D N 1.651 122.115 120.400 0.107 0.000 2.377 87 D HA 0.497 5.137 4.640 0.001 0.000 0.245 87 D C 1.411 177.747 176.300 0.059 0.000 1.196 87 D CA 1.550 55.602 54.000 0.087 0.000 0.962 87 D CB 0.436 41.288 40.800 0.086 0.000 1.127 87 D HN 1.818 nan 8.370 nan 0.000 0.471 88 G N 0.305 109.133 108.800 0.048 0.000 2.141 88 G HA2 -0.299 3.662 3.960 0.001 0.000 0.231 88 G HA3 -0.299 3.662 3.960 0.001 0.000 0.231 88 G C 1.068 175.994 174.900 0.044 0.000 0.984 88 G CA 1.259 46.381 45.100 0.038 0.000 0.660 88 G HN 0.694 nan 8.290 nan 0.000 0.525 89 T N -2.325 112.257 114.554 0.046 0.000 2.643 89 T HA -0.146 4.205 4.350 0.001 0.000 0.264 89 T C 2.236 176.958 174.700 0.038 0.000 1.045 89 T CA 2.680 64.807 62.100 0.045 0.000 1.155 89 T CB -0.823 68.070 68.868 0.041 0.000 0.863 89 T HN 0.346 nan 8.240 nan 0.000 0.420 90 T N 1.871 116.443 114.554 0.031 0.000 2.746 90 T HA -0.094 4.256 4.350 0.001 0.000 0.267 90 T C 2.270 176.984 174.700 0.024 0.000 1.039 90 T CA 1.873 63.988 62.100 0.025 0.000 1.142 90 T CB -1.024 67.857 68.868 0.021 0.000 0.866 90 T HN 0.575 nan 8.240 nan 0.000 0.444 91 T N 2.142 116.711 114.554 0.024 0.000 2.684 91 T HA -0.069 4.282 4.350 0.001 0.000 0.267 91 T C 2.422 177.135 174.700 0.020 0.000 1.036 91 T CA 1.234 63.345 62.100 0.019 0.000 1.148 91 T CB -0.603 68.274 68.868 0.015 0.000 0.863 91 T HN 0.447 nan 8.240 nan 0.000 0.436 92 A N 1.389 124.228 122.820 0.030 0.000 1.902 92 A HA -0.121 4.200 4.320 0.001 0.000 0.217 92 A C 2.574 180.183 177.584 0.042 0.000 1.181 92 A CA 2.043 54.105 52.037 0.042 0.000 0.623 92 A CB -1.240 17.808 19.000 0.079 0.000 0.818 92 A HN 0.487 nan 8.150 nan 0.000 0.443 93 T N -0.481 114.095 114.554 0.038 0.000 2.777 93 T HA -0.096 4.255 4.350 0.001 0.000 0.266 93 T C 1.868 176.583 174.700 0.025 0.000 1.040 93 T CA 1.420 63.539 62.100 0.032 0.000 1.141 93 T CB -0.399 68.486 68.868 0.028 0.000 0.868 93 T HN 0.136 nan 8.240 nan 0.000 0.444 94 V N 1.471 121.398 119.914 0.022 0.000 2.287 94 V HA -0.136 3.985 4.120 0.001 0.000 0.248 94 V C 2.474 178.579 176.094 0.018 0.000 1.053 94 V CA 1.549 63.860 62.300 0.019 0.000 1.027 94 V CB -0.603 31.230 31.823 0.017 0.000 0.646 94 V HN 0.428 nan 8.190 nan 0.000 0.447 95 L N -0.317 120.917 121.223 0.018 0.000 2.056 95 L HA -0.140 4.200 4.340 0.001 0.000 0.207 95 L C 2.702 179.584 176.870 0.020 0.000 1.078 95 L CA 1.490 56.339 54.840 0.015 0.000 0.749 95 L CB -0.780 41.285 42.059 0.009 0.000 0.901 95 L HN 0.358 nan 8.230 nan 0.000 0.433 96 A N 0.749 123.584 122.820 0.026 0.000 1.865 96 A HA -0.296 4.025 4.320 0.001 0.000 0.217 96 A C 2.195 179.793 177.584 0.025 0.000 1.191 96 A CA 2.023 54.078 52.037 0.029 0.000 0.623 96 A CB -0.707 18.315 19.000 0.036 0.000 0.826 96 A HN 0.577 nan 8.150 nan 0.000 0.444 97 Q N -0.096 119.718 119.800 0.022 0.000 2.170 97 Q HA 0.094 4.435 4.340 0.001 0.000 0.203 97 Q C 1.831 177.842 176.000 0.018 0.000 0.976 97 Q CA 2.116 57.931 55.803 0.020 0.000 0.858 97 Q CB -0.791 27.958 28.738 0.019 0.000 0.907 97 Q HN 0.495 nan 8.270 nan 0.000 0.433 98 A N 1.047 123.878 122.820 0.017 0.000 1.873 98 A HA -0.033 4.287 4.320 0.001 0.000 0.215 98 A C 2.200 179.794 177.584 0.016 0.000 1.186 98 A CA 1.361 53.407 52.037 0.015 0.000 0.616 98 A CB -0.655 18.354 19.000 0.014 0.000 0.823 98 A HN 0.412 nan 8.150 nan 0.000 0.442 99 I N -0.291 120.289 120.570 0.017 0.000 2.286 99 I HA -0.244 3.926 4.170 0.001 0.000 0.248 99 I C 2.253 178.381 176.117 0.019 0.000 1.115 99 I CA 1.162 62.472 61.300 0.017 0.000 1.392 99 I CB -0.338 37.673 38.000 0.018 0.000 1.065 99 I HN 0.293 nan 8.210 nan 0.000 0.418 100 I N 0.297 120.880 120.570 0.021 0.000 2.179 100 I HA -0.276 3.895 4.170 0.001 0.000 0.242 100 I C 2.567 178.696 176.117 0.020 0.000 1.088 100 I CA 1.646 62.959 61.300 0.022 0.000 1.357 100 I CB -0.607 37.407 38.000 0.024 0.000 1.051 100 I HN 0.214 nan 8.210 nan 0.000 0.409 101 T N 0.097 114.662 114.554 0.018 0.000 2.708 101 T HA -0.138 4.213 4.350 0.001 0.000 0.266 101 T C 1.768 176.477 174.700 0.015 0.000 1.037 101 T CA 1.187 63.297 62.100 0.016 0.000 1.146 101 T CB -0.186 68.691 68.868 0.015 0.000 0.865 101 T HN 0.281 nan 8.240 nan 0.000 0.435 102 E N 0.673 120.882 120.200 0.014 0.000 2.274 102 E HA 0.026 4.377 4.350 0.001 0.000 0.194 102 E C 2.418 179.026 176.600 0.013 0.000 0.996 102 E CA 0.692 57.100 56.400 0.013 0.000 0.840 102 E CB -0.519 29.188 29.700 0.012 0.000 0.772 102 E HN 0.587 nan 8.360 nan 0.000 0.491 103 G N 0.932 109.741 108.800 0.015 0.000 2.396 103 G HA2 -0.122 3.839 3.960 0.001 0.000 0.214 103 G HA3 -0.122 3.839 3.960 0.001 0.000 0.214 103 G C 1.725 176.635 174.900 0.017 0.000 1.166 103 G CA 0.003 45.112 45.100 0.016 0.000 0.793 103 G HN 0.139 nan 8.290 nan 0.000 0.533 104 L N 0.454 121.688 121.223 0.018 0.000 2.046 104 L HA -0.065 4.276 4.340 0.001 0.000 0.208 104 L C 2.783 179.662 176.870 0.016 0.000 1.077 104 L CA 1.531 56.383 54.840 0.019 0.000 0.747 104 L CB -0.302 41.769 42.059 0.020 0.000 0.896 104 L HN 0.239 nan 8.230 nan 0.000 0.432 105 K N 0.512 120.920 120.400 0.014 0.000 2.160 105 K HA -0.234 4.087 4.320 0.001 0.000 0.206 105 K C 1.980 178.587 176.600 0.011 0.000 1.047 105 K CA 1.492 57.786 56.287 0.011 0.000 0.930 105 K CB -0.023 32.483 32.500 0.010 0.000 0.720 105 K HN 0.313 nan 8.250 nan 0.000 0.450 106 A N 0.460 123.287 122.820 0.012 0.000 1.874 106 A HA -0.021 4.300 4.320 0.001 0.000 0.214 106 A C 2.194 179.785 177.584 0.012 0.000 1.189 106 A CA 1.040 53.084 52.037 0.011 0.000 0.615 106 A CB -0.455 18.552 19.000 0.012 0.000 0.830 106 A HN 0.137 nan 8.150 nan 0.000 0.443 107 V N 0.328 120.251 119.914 0.015 0.000 2.324 107 V HA -0.307 3.814 4.120 0.001 0.000 0.250 107 V C 2.978 179.081 176.094 0.014 0.000 1.060 107 V CA 1.999 64.309 62.300 0.016 0.000 1.042 107 V CB -1.190 30.646 31.823 0.021 0.000 0.650 107 V HN 0.595 nan 8.190 nan 0.000 0.450 108 A N -0.388 122.440 122.820 0.013 0.000 2.125 108 A HA 0.026 4.347 4.320 0.001 0.000 0.219 108 A C 2.254 179.842 177.584 0.007 0.000 1.156 108 A CA 1.628 53.671 52.037 0.010 0.000 0.671 108 A CB -0.470 18.536 19.000 0.010 0.000 0.794 108 A HN 0.594 nan 8.150 nan 0.000 0.459 109 A N -2.031 120.793 122.820 0.007 0.000 2.123 109 A HA 0.406 4.726 4.320 0.001 0.000 0.214 109 A C 1.837 179.424 177.584 0.005 0.000 1.152 109 A CA 1.309 53.349 52.037 0.005 0.000 0.728 109 A CB -0.571 18.433 19.000 0.006 0.000 0.814 109 A HN 1.765 nan 8.150 nan 0.000 0.464 110 G N -2.473 106.331 108.800 0.007 0.000 2.179 110 G HA2 -0.198 3.763 3.960 0.001 0.000 0.220 110 G HA3 -0.198 3.763 3.960 0.001 0.000 0.220 110 G C 0.093 174.997 174.900 0.007 0.000 0.990 110 G CA 0.225 45.328 45.100 0.006 0.000 0.646 110 G HN 0.272 nan 8.290 nan 0.000 0.517 111 M N 1.101 120.706 119.600 0.008 0.000 2.250 111 M HA 0.293 4.774 4.480 0.001 0.000 0.325 111 M C 0.802 177.108 176.300 0.011 0.000 1.084 111 M CA -0.464 54.841 55.300 0.009 0.000 1.161 111 M CB 0.144 32.749 32.600 0.009 0.000 1.481 111 M HN 0.283 nan 8.290 nan 0.000 0.449 112 N N 2.884 121.590 118.700 0.011 0.000 2.417 112 N HA 0.046 4.787 4.740 0.001 0.000 0.272 112 N C -2.104 173.415 175.510 0.015 0.000 1.304 112 N CA -1.184 51.874 53.050 0.013 0.000 0.906 112 N CB 0.500 38.995 38.487 0.012 0.000 1.135 112 N HN 0.267 nan 8.380 nan 0.000 0.483 113 P HA -0.131 nan 4.420 nan 0.000 0.218 113 P C 1.220 178.532 177.300 0.019 0.000 1.148 113 P CA 0.978 64.090 63.100 0.020 0.000 0.822 113 P CB 0.140 31.855 31.700 0.024 0.000 0.784 114 M N -0.726 118.885 119.600 0.018 0.000 2.349 114 M HA -0.054 4.427 4.480 0.001 0.000 0.266 114 M C 1.159 177.468 176.300 0.015 0.000 1.076 114 M CA 1.631 56.942 55.300 0.017 0.000 1.126 114 M CB -0.887 31.724 32.600 0.017 0.000 1.392 114 M HN -0.252 nan 8.290 nan 0.000 0.440 115 D N -0.310 120.098 120.400 0.014 0.000 2.224 115 D HA -0.046 4.595 4.640 0.001 0.000 0.205 115 D C 1.983 178.291 176.300 0.013 0.000 0.965 115 D CA 0.944 54.951 54.000 0.012 0.000 0.852 115 D CB -0.088 40.718 40.800 0.011 0.000 0.947 115 D HN 0.381 nan 8.370 nan 0.000 0.494 116 L N 0.710 121.941 121.223 0.014 0.000 2.017 116 L HA -0.174 4.167 4.340 0.001 0.000 0.208 116 L C 2.561 179.440 176.870 0.015 0.000 1.073 116 L CA 1.182 56.031 54.840 0.014 0.000 0.745 116 L CB -0.408 41.660 42.059 0.015 0.000 0.894 116 L HN -0.048 nan 8.230 nan 0.000 0.432 117 K N 0.541 120.951 120.400 0.017 0.000 2.002 117 K HA -0.194 4.127 4.320 0.001 0.000 0.209 117 K C 2.312 178.922 176.600 0.016 0.000 1.048 117 K CA 1.461 57.758 56.287 0.018 0.000 0.930 117 K CB -0.007 32.505 32.500 0.020 0.000 0.714 117 K HN 0.155 nan 8.250 nan 0.000 0.438 118 R N -0.562 119.946 120.500 0.014 0.000 2.127 118 R HA -0.119 4.222 4.340 0.001 0.000 0.238 118 R C 2.383 178.689 176.300 0.011 0.000 1.134 118 R CA 1.387 57.495 56.100 0.013 0.000 0.975 118 R CB -0.391 29.917 30.300 0.012 0.000 0.865 118 R HN 0.386 nan 8.270 nan 0.000 0.447 119 G N 0.662 109.469 108.800 0.011 0.000 2.396 119 G HA2 -0.155 3.806 3.960 0.001 0.000 0.214 119 G HA3 -0.155 3.806 3.960 0.001 0.000 0.214 119 G C 1.424 176.330 174.900 0.009 0.000 1.166 119 G CA 0.248 45.353 45.100 0.010 0.000 0.793 119 G HN 0.122 nan 8.290 nan 0.000 0.533 120 I N 1.221 121.797 120.570 0.011 0.000 2.127 120 I HA -0.176 3.994 4.170 0.001 0.000 0.241 120 I C 2.381 178.504 176.117 0.010 0.000 1.075 120 I CA 1.413 62.720 61.300 0.011 0.000 1.334 120 I CB -0.205 37.803 38.000 0.014 0.000 1.040 120 I HN 0.042 nan 8.210 nan 0.000 0.405 121 D N 0.777 121.185 120.400 0.012 0.000 2.104 121 D HA -0.238 4.403 4.640 0.001 0.000 0.194 121 D C 2.071 178.377 176.300 0.009 0.000 0.994 121 D CA 1.309 55.316 54.000 0.013 0.000 0.830 121 D CB -0.307 40.502 40.800 0.016 0.000 0.959 121 D HN 0.258 nan 8.370 nan 0.000 0.452 122 K N 0.362 120.767 120.400 0.008 0.000 2.097 122 K HA -0.098 4.223 4.320 0.001 0.000 0.206 122 K C 1.946 178.548 176.600 0.004 0.000 1.049 122 K CA 1.258 57.549 56.287 0.006 0.000 0.933 122 K CB -0.022 32.481 32.500 0.007 0.000 0.717 122 K HN 0.063 nan 8.250 nan 0.000 0.442 123 A N 0.428 123.250 122.820 0.004 0.000 1.929 123 A HA -0.066 4.255 4.320 0.001 0.000 0.216 123 A C 2.181 179.764 177.584 -0.002 0.000 1.176 123 A CA 1.222 53.260 52.037 0.002 0.000 0.628 123 A CB -0.456 18.546 19.000 0.003 0.000 0.816 123 A HN 0.149 nan 8.150 nan 0.000 0.444 124 V N -0.009 119.904 119.914 -0.002 0.000 2.255 124 V HA -0.271 3.849 4.120 0.001 0.000 0.247 124 V C 2.778 178.866 176.094 -0.011 0.000 1.051 124 V CA 2.619 64.913 62.300 -0.010 0.000 1.018 124 V CB -1.386 30.432 31.823 -0.008 0.000 0.641 124 V HN 0.613 nan 8.190 nan 0.000 0.445 125 T N 0.525 115.077 114.554 -0.004 0.000 2.635 125 T HA -0.248 4.103 4.350 0.001 0.000 0.267 125 T C 2.065 176.763 174.700 -0.004 0.000 1.040 125 T CA 1.918 64.016 62.100 -0.003 0.000 1.156 125 T CB -0.617 68.252 68.868 0.002 0.000 0.863 125 T HN 0.588 nan 8.240 nan 0.000 0.430 126 A N 1.548 124.367 122.820 -0.002 0.000 1.883 126 A HA 0.045 4.366 4.320 0.001 0.000 0.217 126 A C 2.666 180.248 177.584 -0.004 0.000 1.186 126 A CA 2.150 54.186 52.037 -0.002 0.000 0.624 126 A CB -1.221 17.779 19.000 0.000 0.000 0.822 126 A HN 0.547 nan 8.150 nan 0.000 0.444 127 A N -0.836 121.980 122.820 -0.007 0.000 1.930 127 A HA 0.042 4.363 4.320 0.001 0.000 0.217 127 A C 2.232 179.807 177.584 -0.015 0.000 1.175 127 A CA 1.680 53.711 52.037 -0.009 0.000 0.627 127 A CB -0.861 18.132 19.000 -0.012 0.000 0.815 127 A HN 0.388 nan 8.150 nan 0.000 0.443 128 V N 0.407 120.310 119.914 -0.020 0.000 2.343 128 V HA -0.204 3.916 4.120 0.001 0.000 0.247 128 V C 2.518 178.603 176.094 -0.015 0.000 1.051 128 V CA 2.151 64.436 62.300 -0.025 0.000 1.036 128 V CB -0.620 31.186 31.823 -0.029 0.000 0.654 128 V HN 0.542 nan 8.190 nan 0.000 0.451 129 E N -0.514 119.680 120.200 -0.009 0.000 2.152 129 E HA -0.133 4.218 4.350 0.001 0.000 0.192 129 E C 2.231 178.829 176.600 -0.003 0.000 0.983 129 E CA 0.554 56.951 56.400 -0.004 0.000 0.818 129 E CB -0.209 29.490 29.700 -0.002 0.000 0.758 129 E HN 0.596 nan 8.360 nan 0.000 0.467 130 E N 0.901 121.099 120.200 -0.003 0.000 2.110 130 E HA -0.111 4.240 4.350 0.001 0.000 0.193 130 E C 2.353 178.952 176.600 -0.001 0.000 0.988 130 E CA 0.488 56.887 56.400 -0.001 0.000 0.804 130 E CB -0.179 29.521 29.700 0.000 0.000 0.745 130 E HN 0.286 nan 8.360 nan 0.000 0.458 131 L N 0.553 121.773 121.223 -0.005 0.000 2.131 131 L HA -0.193 4.148 4.340 0.001 0.000 0.210 131 L C 2.351 179.218 176.870 -0.004 0.000 1.092 131 L CA 1.043 55.879 54.840 -0.006 0.000 0.759 131 L CB -0.203 41.847 42.059 -0.014 0.000 0.903 131 L HN -0.007 nan 8.230 nan 0.000 0.435 132 K N 0.208 120.605 120.400 -0.004 0.000 2.057 132 K HA -0.071 4.250 4.320 0.001 0.000 0.206 132 K C 2.157 178.758 176.600 0.001 0.000 1.050 132 K CA 1.368 57.654 56.287 -0.002 0.000 0.935 132 K CB -0.488 32.012 32.500 -0.001 0.000 0.715 132 K HN 0.233 nan 8.250 nan 0.000 0.439 133 A N -0.104 122.717 122.820 0.002 0.000 2.019 133 A HA -0.091 4.230 4.320 0.001 0.000 0.219 133 A C 1.674 179.261 177.584 0.005 0.000 1.164 133 A CA 1.309 53.348 52.037 0.003 0.000 0.644 133 A CB -0.261 18.741 19.000 0.003 0.000 0.805 133 A HN 0.166 nan 8.150 nan 0.000 0.449 134 L N -0.812 120.414 121.223 0.005 0.000 2.585 134 L HA 0.207 4.548 4.340 0.001 0.000 0.226 134 L C 1.235 178.109 176.870 0.007 0.000 1.113 134 L CA 0.467 55.312 54.840 0.007 0.000 0.876 134 L CB -0.023 42.041 42.059 0.009 0.000 1.072 134 L HN 0.202 nan 8.230 nan 0.000 0.468 135 S N 0.109 115.812 115.700 0.005 0.000 2.481 135 S HA 0.101 4.572 4.470 0.001 0.000 0.282 135 S C 0.125 174.729 174.600 0.006 0.000 1.243 135 S CA -0.354 57.849 58.200 0.004 0.000 1.078 135 S CB 0.398 63.600 63.200 0.003 0.000 0.916 135 S HN 0.069 nan 8.310 nan 0.000 0.495 136 V N 9.518 129.436 119.914 0.006 0.000 2.409 136 V HA 0.278 4.399 4.120 0.001 0.000 0.270 136 V C -1.731 174.366 176.094 0.006 0.000 1.019 136 V CA -0.886 61.418 62.300 0.007 0.000 1.066 136 V CB 0.061 31.889 31.823 0.007 0.000 1.021 136 V HN 0.997 nan 8.190 nan 0.000 0.476 137 P HA -0.224 nan 4.420 nan 0.000 0.015 137 P C 0.343 177.646 177.300 0.005 0.000 0.772 137 P CA 0.975 64.078 63.100 0.006 0.000 1.034 137 P CB -1.810 29.894 31.700 0.006 0.000 1.908 138 C N 1.415 120.719 119.300 0.006 0.000 2.648 138 C HA 0.298 4.759 4.460 0.001 0.000 0.406 138 C C 1.656 176.649 174.990 0.005 0.000 1.406 138 C CA 1.257 60.279 59.018 0.006 0.000 1.610 138 C CB -1.265 26.479 27.740 0.006 0.000 2.451 138 C HN 0.568 nan 8.230 nan 0.000 0.608 139 S N 1.571 117.274 115.700 0.004 0.000 2.933 139 S HA 0.166 4.637 4.470 0.001 0.000 0.236 139 S C -0.940 173.662 174.600 0.003 0.000 0.836 139 S CA -0.375 57.827 58.200 0.004 0.000 1.298 139 S CB -0.348 62.854 63.200 0.004 0.000 1.243 139 S HN 0.828 nan 8.310 nan 0.000 0.607 140 D N 0.472 120.873 120.400 0.002 0.000 2.780 140 D HA 0.609 5.250 4.640 0.001 0.000 0.242 140 D C 0.843 177.143 176.300 -0.000 0.000 1.135 140 D CA -0.370 53.631 54.000 0.001 0.000 0.859 140 D CB 2.035 42.836 40.800 0.001 0.000 1.530 140 D HN -0.118 nan 8.370 nan 0.000 0.493 141 S N 2.821 118.520 115.700 -0.001 0.000 2.383 141 S HA -0.199 4.272 4.470 0.001 0.000 0.229 141 S C 1.620 176.217 174.600 -0.004 0.000 1.030 141 S CA 1.258 59.456 58.200 -0.002 0.000 1.002 141 S CB -0.147 63.051 63.200 -0.003 0.000 0.829 141 S HN 0.636 nan 8.310 nan 0.000 0.467 142 K N 1.454 121.852 120.400 -0.004 0.000 2.103 142 K HA 0.073 4.394 4.320 0.001 0.000 0.204 142 K C 2.247 178.843 176.600 -0.006 0.000 1.052 142 K CA 0.930 57.214 56.287 -0.006 0.000 0.945 142 K CB -0.358 32.139 32.500 -0.006 0.000 0.722 142 K HN 0.271 nan 8.250 nan 0.000 0.443 143 A N 1.473 124.291 122.820 -0.004 0.000 1.883 143 A HA -0.151 4.170 4.320 0.001 0.000 0.217 143 A C 2.083 179.665 177.584 -0.003 0.000 1.186 143 A CA 1.593 53.628 52.037 -0.003 0.000 0.624 143 A CB -0.644 18.355 19.000 -0.001 0.000 0.822 143 A HN 0.351 nan 8.150 nan 0.000 0.444 144 I N -0.243 120.325 120.570 -0.002 0.000 2.127 144 I HA -0.319 3.852 4.170 0.001 0.000 0.241 144 I C 3.007 179.121 176.117 -0.005 0.000 1.075 144 I CA 1.228 62.527 61.300 -0.001 0.000 1.334 144 I CB -0.408 37.592 38.000 -0.001 0.000 1.040 144 I HN 0.364 nan 8.210 nan 0.000 0.405 145 A N -0.052 122.764 122.820 -0.007 0.000 1.940 145 A HA -0.281 4.040 4.320 0.001 0.000 0.219 145 A C 2.247 179.824 177.584 -0.011 0.000 1.176 145 A CA 1.765 53.796 52.037 -0.010 0.000 0.631 145 A CB -0.631 18.363 19.000 -0.010 0.000 0.814 145 A HN 0.502 nan 8.150 nan 0.000 0.446 146 Q N -0.520 119.274 119.800 -0.011 0.000 2.016 146 Q HA -0.119 4.222 4.340 0.001 0.000 0.200 146 Q C 2.272 178.265 176.000 -0.012 0.000 0.978 146 Q CA 2.080 57.874 55.803 -0.014 0.000 0.833 146 Q CB -0.478 28.252 28.738 -0.014 0.000 0.895 146 Q HN 0.744 nan 8.270 nan 0.000 0.427 147 V N -2.177 117.733 119.914 -0.007 0.000 2.490 147 V HA -0.085 4.035 4.120 0.001 0.000 0.250 147 V C 1.979 178.070 176.094 -0.004 0.000 1.061 147 V CA 2.024 64.322 62.300 -0.004 0.000 1.064 147 V CB -1.460 30.365 31.823 0.002 0.000 0.670 147 V HN 0.361 nan 8.190 nan 0.000 0.461 148 G N 0.124 108.920 108.800 -0.006 0.000 2.408 148 G HA2 -0.171 3.790 3.960 0.001 0.000 0.217 148 G HA3 -0.171 3.790 3.960 0.001 0.000 0.217 148 G C 1.561 176.453 174.900 -0.013 0.000 1.150 148 G CA 1.400 46.494 45.100 -0.010 0.000 0.776 148 G HN 0.506 nan 8.290 nan 0.000 0.542 149 T N 1.218 115.763 114.554 -0.014 0.000 2.857 149 T HA -0.035 4.316 4.350 0.001 0.000 0.266 149 T C 2.331 177.021 174.700 -0.018 0.000 1.048 149 T CA 0.704 62.794 62.100 -0.017 0.000 1.139 149 T CB -0.059 68.797 68.868 -0.020 0.000 0.874 149 T HN 0.110 nan 8.240 nan 0.000 0.455 150 I N 1.107 121.667 120.570 -0.017 0.000 2.142 150 I HA -0.126 4.045 4.170 0.001 0.000 0.240 150 I C 2.693 178.804 176.117 -0.010 0.000 1.078 150 I CA 1.097 62.388 61.300 -0.016 0.000 1.343 150 I CB -0.719 37.272 38.000 -0.016 0.000 1.046 150 I HN 0.153 nan 8.210 nan 0.000 0.405 151 S N 0.117 115.814 115.700 -0.005 0.000 2.356 151 S HA -0.125 4.346 4.470 0.001 0.000 0.223 151 S C 2.059 176.658 174.600 -0.003 0.000 1.032 151 S CA 1.261 59.462 58.200 0.001 0.000 1.005 151 S CB -0.415 62.789 63.200 0.007 0.000 0.867 151 S HN 0.438 nan 8.310 nan 0.000 0.449 152 A N 1.058 123.873 122.820 -0.009 0.000 2.255 152 A HA 0.197 4.518 4.320 0.001 0.000 0.206 152 A C 0.839 178.416 177.584 -0.012 0.000 1.193 152 A CA 0.534 52.564 52.037 -0.011 0.000 0.794 152 A CB -0.708 18.283 19.000 -0.016 0.000 0.794 152 A HN 0.725 nan 8.150 nan 0.000 0.481 153 N N -0.687 118.006 118.700 -0.012 0.000 2.814 153 N HA -0.186 4.555 4.740 0.001 0.000 0.247 153 N C -0.042 175.457 175.510 -0.019 0.000 1.089 153 N CA 0.961 54.003 53.050 -0.014 0.000 0.682 153 N CB -1.469 37.012 38.487 -0.010 0.000 0.970 153 N HN 0.529 nan 8.380 nan 0.000 0.554 154 S N -1.001 114.686 115.700 -0.022 0.000 3.696 154 S HA -0.185 4.286 4.470 0.001 0.000 0.302 154 S C -0.427 174.160 174.600 -0.022 0.000 1.182 154 S CA 0.832 59.017 58.200 -0.026 0.000 0.857 154 S CB -0.876 62.305 63.200 -0.031 0.000 0.960 154 S HN 0.672 nan 8.310 nan 0.000 0.559 155 D N 1.338 121.726 120.400 -0.019 0.000 2.441 155 D HA 0.221 4.862 4.640 0.001 0.000 0.221 155 D C 1.190 177.480 176.300 -0.018 0.000 1.156 155 D CA -0.257 53.732 54.000 -0.017 0.000 0.896 155 D CB 0.500 41.290 40.800 -0.016 0.000 1.028 155 D HN 0.432 nan 8.370 nan 0.000 0.509 156 E N 1.313 121.502 120.200 -0.018 0.000 2.097 156 E HA -0.190 4.161 4.350 0.001 0.000 0.196 156 E C 1.630 178.221 176.600 -0.015 0.000 1.000 156 E CA 1.701 58.091 56.400 -0.017 0.000 0.804 156 E CB 0.223 29.914 29.700 -0.016 0.000 0.740 156 E HN 0.615 nan 8.360 nan 0.000 0.454 157 T N 0.085 114.630 114.554 -0.015 0.000 2.652 157 T HA -0.143 4.208 4.350 0.001 0.000 0.267 157 T C 2.195 176.886 174.700 -0.016 0.000 1.039 157 T CA 1.341 63.433 62.100 -0.014 0.000 1.153 157 T CB -0.710 68.150 68.868 -0.014 0.000 0.863 157 T HN -0.034 nan 8.240 nan 0.000 0.428 158 V N 1.940 121.844 119.914 -0.017 0.000 2.358 158 V HA -0.017 4.104 4.120 0.001 0.000 0.246 158 V C 3.025 179.107 176.094 -0.019 0.000 1.047 158 V CA 1.841 64.130 62.300 -0.020 0.000 1.035 158 V CB -1.501 30.309 31.823 -0.021 0.000 0.658 158 V HN 0.678 nan 8.190 nan 0.000 0.452 159 G N -0.104 108.685 108.800 -0.017 0.000 2.421 159 G HA2 -0.315 3.646 3.960 0.001 0.000 0.216 159 G HA3 -0.315 3.646 3.960 0.001 0.000 0.216 159 G C 1.587 176.478 174.900 -0.014 0.000 1.171 159 G CA 1.176 46.266 45.100 -0.016 0.000 0.775 159 G HN 0.466 nan 8.290 nan 0.000 0.543 160 K N -0.055 120.336 120.400 -0.014 0.000 2.032 160 K HA -0.013 4.308 4.320 0.001 0.000 0.209 160 K C 2.338 178.930 176.600 -0.012 0.000 1.048 160 K CA 1.078 57.358 56.287 -0.012 0.000 0.927 160 K CB -0.642 31.851 32.500 -0.012 0.000 0.712 160 K HN 0.235 nan 8.250 nan 0.000 0.441 161 L N 0.561 121.776 121.223 -0.014 0.000 2.056 161 L HA 0.011 4.352 4.340 0.001 0.000 0.207 161 L C 2.038 178.900 176.870 -0.015 0.000 1.078 161 L CA 1.512 56.344 54.840 -0.014 0.000 0.749 161 L CB -0.284 41.765 42.059 -0.016 0.000 0.901 161 L HN 0.281 nan 8.230 nan 0.000 0.433 162 I N -0.858 119.702 120.570 -0.017 0.000 2.179 162 I HA -0.288 3.883 4.170 0.001 0.000 0.242 162 I C 2.544 178.654 176.117 -0.012 0.000 1.088 162 I CA 1.161 62.450 61.300 -0.017 0.000 1.357 162 I CB -0.599 37.387 38.000 -0.022 0.000 1.051 162 I HN 0.314 nan 8.210 nan 0.000 0.409 163 A N 0.300 123.113 122.820 -0.010 0.000 1.902 163 A HA -0.200 4.121 4.320 0.001 0.000 0.217 163 A C 2.233 179.813 177.584 -0.007 0.000 1.181 163 A CA 1.534 53.567 52.037 -0.008 0.000 0.623 163 A CB -0.519 18.477 19.000 -0.008 0.000 0.818 163 A HN 0.416 nan 8.150 nan 0.000 0.443 164 E N -0.362 119.834 120.200 -0.008 0.000 2.152 164 E HA -0.050 4.301 4.350 0.001 0.000 0.192 164 E C 2.288 178.884 176.600 -0.007 0.000 0.983 164 E CA 0.700 57.096 56.400 -0.007 0.000 0.818 164 E CB -0.225 29.471 29.700 -0.008 0.000 0.758 164 E HN 0.614 nan 8.360 nan 0.000 0.467 165 A N 1.344 124.159 122.820 -0.008 0.000 1.902 165 A HA -0.192 4.129 4.320 0.001 0.000 0.217 165 A C 2.178 179.759 177.584 -0.004 0.000 1.181 165 A CA 1.302 53.334 52.037 -0.007 0.000 0.623 165 A CB -0.426 18.568 19.000 -0.009 0.000 0.818 165 A HN 0.133 nan 8.150 nan 0.000 0.443 166 M N -0.901 118.697 119.600 -0.004 0.000 2.117 166 M HA -0.173 4.308 4.480 0.001 0.000 0.262 166 M C 1.999 178.299 176.300 -0.001 0.000 1.065 166 M CA 2.065 57.364 55.300 -0.001 0.000 1.114 166 M CB -0.589 32.011 32.600 -0.000 0.000 1.361 166 M HN 0.553 nan 8.290 nan 0.000 0.408 167 D N 0.468 120.867 120.400 -0.002 0.000 2.123 167 D HA -0.169 4.472 4.640 0.001 0.000 0.196 167 D C 1.728 178.027 176.300 -0.002 0.000 0.992 167 D CA 1.563 55.562 54.000 -0.002 0.000 0.833 167 D CB 0.191 40.989 40.800 -0.003 0.000 0.954 167 D HN 0.069 nan 8.370 nan 0.000 0.455 168 K N -0.557 119.841 120.400 -0.003 0.000 2.186 168 K HA 0.060 4.381 4.320 0.001 0.000 0.202 168 K C 1.950 178.549 176.600 -0.001 0.000 1.052 168 K CA 0.881 57.167 56.287 -0.003 0.000 0.965 168 K CB 0.081 32.579 32.500 -0.004 0.000 0.746 168 K HN 0.269 nan 8.250 nan 0.000 0.457 169 V N -3.072 116.842 119.914 -0.000 0.000 3.354 169 V HA 0.344 4.465 4.120 0.001 0.000 0.258 169 V C 0.838 176.933 176.094 0.002 0.000 1.159 169 V CA 0.425 62.725 62.300 0.001 0.000 1.125 169 V CB -0.859 30.965 31.823 0.002 0.000 0.774 169 V HN 0.269 nan 8.190 nan 0.000 0.464 170 G N 0.669 109.471 108.800 0.002 0.000 2.756 170 G HA2 -0.211 3.750 3.960 0.001 0.000 0.678 170 G HA3 -0.211 3.750 3.960 0.001 0.000 0.678 170 G C 0.091 174.994 174.900 0.004 0.000 1.349 170 G CA 0.097 45.199 45.100 0.003 0.000 0.847 170 G HN 0.377 nan 8.290 nan 0.000 0.548 171 K N 0.124 120.527 120.400 0.005 0.000 2.152 171 K HA -0.068 4.252 4.320 0.001 0.000 0.206 171 K C 1.328 177.933 176.600 0.008 0.000 1.048 171 K CA 1.842 58.133 56.287 0.006 0.000 0.933 171 K CB 0.030 32.534 32.500 0.006 0.000 0.721 171 K HN 0.597 nan 8.250 nan 0.000 0.447 172 E N 0.206 120.410 120.200 0.007 0.000 3.157 172 E HA 0.139 4.490 4.350 0.001 0.000 0.203 172 E C -0.088 176.517 176.600 0.007 0.000 0.982 172 E CA -0.511 55.893 56.400 0.008 0.000 1.217 172 E CB 1.315 31.019 29.700 0.007 0.000 1.123 172 E HN 0.207 nan 8.360 nan 0.000 0.457 173 G N 0.226 109.030 108.800 0.007 0.000 2.531 173 G HA2 0.504 4.465 3.960 0.001 0.000 0.313 173 G HA3 0.504 4.465 3.960 0.001 0.000 0.313 173 G C -0.437 174.469 174.900 0.010 0.000 1.238 173 G CA -0.316 44.788 45.100 0.008 0.000 0.994 173 G HN 0.037 nan 8.290 nan 0.000 0.493 174 V N 0.213 120.133 119.914 0.010 0.000 2.656 174 V HA 0.475 4.596 4.120 0.001 0.000 0.307 174 V C -0.434 175.666 176.094 0.010 0.000 1.051 174 V CA -0.471 61.837 62.300 0.013 0.000 0.893 174 V CB 1.600 33.432 31.823 0.016 0.000 0.999 174 V HN 0.570 nan 8.190 nan 0.000 0.426 175 I N 3.995 124.571 120.570 0.009 0.000 2.474 175 I HA 0.721 4.891 4.170 0.001 0.000 0.294 175 I C 0.455 176.575 176.117 0.005 0.000 1.005 175 I CA -0.186 61.116 61.300 0.003 0.000 1.113 175 I CB 2.278 40.275 38.000 -0.004 0.000 1.289 175 I HN 0.832 nan 8.210 nan 0.000 0.436 176 T N 2.176 116.732 114.554 0.002 0.000 2.604 176 T HA 0.797 5.148 4.350 0.001 0.000 0.267 176 T C -0.852 173.845 174.700 -0.006 0.000 0.923 176 T CA -0.838 61.266 62.100 0.005 0.000 1.077 176 T CB 1.977 70.856 68.868 0.017 0.000 1.392 176 T HN 0.405 nan 8.240 nan 0.000 0.531 177 V N -0.579 119.334 119.914 -0.002 0.000 3.048 177 V HA 0.709 4.830 4.120 0.001 0.000 0.303 177 V C -1.930 174.164 176.094 0.001 0.000 1.214 177 V CA -0.524 61.771 62.300 -0.008 0.000 0.984 177 V CB 2.067 33.878 31.823 -0.021 0.000 1.054 177 V HN 1.095 nan 8.190 nan 0.000 0.430 178 E N 2.402 122.600 120.200 -0.002 0.000 2.383 178 E HA 0.397 4.748 4.350 0.001 0.000 0.275 178 E C -1.700 174.899 176.600 -0.001 0.000 0.918 178 E CA -0.885 55.516 56.400 0.001 0.000 0.764 178 E CB 1.950 31.649 29.700 -0.001 0.000 1.252 178 E HN 0.766 nan 8.360 nan 0.000 0.449 179 D N 1.037 121.438 120.400 0.001 0.000 2.414 179 D HA 0.126 4.767 4.640 0.001 0.000 0.242 179 D C 0.172 176.470 176.300 -0.002 0.000 1.129 179 D CA 0.202 54.202 54.000 0.000 0.000 0.885 179 D CB 0.891 41.692 40.800 0.002 0.000 1.198 179 D HN 0.483 nan 8.370 nan 0.000 0.437 180 G N 0.247 109.045 108.800 -0.003 0.000 2.365 180 G HA2 0.232 4.193 3.960 0.001 0.000 0.249 180 G HA3 0.232 4.193 3.960 0.001 0.000 0.249 180 G C 1.015 175.912 174.900 -0.005 0.000 1.288 180 G CA -0.361 44.737 45.100 -0.005 0.000 0.887 180 G HN 0.468 nan 8.290 nan 0.000 0.524 181 T N -0.212 114.338 114.554 -0.006 0.000 3.060 181 T HA 0.430 4.781 4.350 0.001 0.000 0.249 181 T C 0.996 175.692 174.700 -0.007 0.000 1.079 181 T CA 0.327 62.423 62.100 -0.007 0.000 1.013 181 T CB 0.649 69.512 68.868 -0.008 0.000 0.975 181 T HN 0.817 nan 8.240 nan 0.000 0.518 182 G N 0.247 109.043 108.800 -0.007 0.000 2.694 182 G HA2 0.566 4.527 3.960 0.001 0.000 0.290 182 G HA3 0.566 4.527 3.960 0.001 0.000 0.290 182 G C -0.219 174.678 174.900 -0.006 0.000 1.386 182 G CA -1.053 44.043 45.100 -0.007 0.000 0.872 182 G HN 0.230 nan 8.290 nan 0.000 0.475 183 L N -0.045 121.174 121.223 -0.006 0.000 2.693 183 L HA 0.209 4.549 4.340 0.001 0.000 0.242 183 L C 0.573 177.439 176.870 -0.006 0.000 1.157 183 L CA 0.274 55.111 54.840 -0.006 0.000 0.929 183 L CB -0.869 41.187 42.059 -0.005 0.000 1.103 183 L HN 0.676 nan 8.230 nan 0.000 0.430 184 Q N -3.035 116.761 119.800 -0.007 0.000 2.545 184 Q HA 0.311 4.652 4.340 0.001 0.000 0.273 184 Q C -1.518 174.477 176.000 -0.009 0.000 0.975 184 Q CA -0.869 54.929 55.803 -0.008 0.000 0.876 184 Q CB 0.547 29.281 28.738 -0.008 0.000 1.472 184 Q HN -0.079 nan 8.270 nan 0.000 0.389 185 D N 1.101 121.495 120.400 -0.010 0.000 2.399 185 D HA 0.270 4.911 4.640 0.001 0.000 0.241 185 D C -0.746 175.548 176.300 -0.011 0.000 1.133 185 D CA 0.069 54.063 54.000 -0.011 0.000 0.890 185 D CB 0.768 41.561 40.800 -0.012 0.000 1.201 185 D HN 0.545 nan 8.370 nan 0.000 0.432 186 E N 1.624 121.818 120.200 -0.011 0.000 2.216 186 E HA 0.279 4.630 4.350 0.001 0.000 0.260 186 E C -1.495 175.098 176.600 -0.011 0.000 0.880 186 E CA -0.941 55.453 56.400 -0.011 0.000 0.765 186 E CB 0.883 30.577 29.700 -0.011 0.000 1.174 186 E HN 0.259 nan 8.360 nan 0.000 0.417 187 L N 5.195 126.411 121.223 -0.011 0.000 2.334 187 L HA 0.327 4.668 4.340 0.001 0.000 0.286 187 L C -0.934 175.930 176.870 -0.011 0.000 1.108 187 L CA -0.025 54.808 54.840 -0.011 0.000 0.875 187 L CB 0.354 42.406 42.059 -0.011 0.000 1.246 187 L HN 0.461 nan 8.230 nan 0.000 0.439 188 D N 3.297 123.690 120.400 -0.011 0.000 2.256 188 D HA 0.454 5.095 4.640 0.001 0.000 0.250 188 D C -0.709 175.585 176.300 -0.010 0.000 1.093 188 D CA 0.162 54.156 54.000 -0.011 0.000 0.882 188 D CB 1.848 42.640 40.800 -0.013 0.000 1.185 188 D HN 0.277 nan 8.370 nan 0.000 0.437 189 V N 2.335 122.243 119.914 -0.010 0.000 2.709 189 V HA 0.500 4.621 4.120 0.001 0.000 0.308 189 V C -0.279 175.809 176.094 -0.009 0.000 1.062 189 V CA -0.826 61.469 62.300 -0.008 0.000 0.901 189 V CB 2.307 34.126 31.823 -0.007 0.000 1.003 189 V HN 0.248 nan 8.190 nan 0.000 0.425 190 V N 3.156 123.066 119.914 -0.007 0.000 2.577 190 V HA 0.511 4.632 4.120 0.001 0.000 0.303 190 V C -0.440 175.652 176.094 -0.004 0.000 1.042 190 V CA -0.657 61.637 62.300 -0.009 0.000 0.872 190 V CB 2.010 33.826 31.823 -0.011 0.000 0.998 190 V HN 0.854 nan 8.190 nan 0.000 0.423 191 E N 2.205 122.402 120.200 -0.005 0.000 2.248 191 E HA 0.688 5.038 4.350 0.001 0.000 0.272 191 E C 0.593 177.193 176.600 0.001 0.000 1.008 191 E CA 0.621 57.020 56.400 -0.001 0.000 0.856 191 E CB 2.054 31.752 29.700 -0.003 0.000 1.120 191 E HN 1.060 nan 8.360 nan 0.000 0.397 192 G N 1.800 110.604 108.800 0.007 0.000 2.593 192 G HA2 -0.280 3.681 3.960 0.001 0.000 0.237 192 G HA3 -0.280 3.681 3.960 0.001 0.000 0.237 192 G C -0.399 174.515 174.900 0.024 0.000 1.312 192 G CA -0.005 45.104 45.100 0.014 0.000 0.896 192 G HN 0.500 nan 8.290 nan 0.000 0.574 193 M N 1.119 120.743 119.600 0.040 0.000 2.043 193 M HA 0.511 4.992 4.480 0.001 0.000 0.322 193 M C 0.015 176.358 176.300 0.072 0.000 0.962 193 M CA -0.466 54.875 55.300 0.069 0.000 0.927 193 M CB 1.084 33.743 32.600 0.097 0.000 1.466 193 M HN 0.709 nan 8.290 nan 0.000 0.412 194 Q N 5.218 125.041 119.800 0.039 0.000 2.256 194 Q HA 0.470 4.811 4.340 0.001 0.000 0.254 194 Q C -1.653 174.395 176.000 0.080 0.000 0.916 194 Q CA -0.555 55.239 55.803 -0.015 0.000 0.932 194 Q CB 0.954 29.662 28.738 -0.049 0.000 1.207 194 Q HN 0.682 nan 8.270 nan 0.000 0.426 195 F N 0.603 120.549 119.950 -0.007 0.000 2.522 195 F HA 0.489 5.017 4.527 0.001 0.000 0.324 195 F C -0.750 175.045 175.800 -0.008 0.000 1.077 195 F CA -1.219 56.776 58.000 -0.007 0.000 0.944 195 F CB 1.141 40.137 39.000 -0.008 0.000 1.175 195 F HN 0.394 nan 8.300 nan 0.000 0.468 196 D N 2.389 122.913 120.400 0.208 0.000 2.845 196 D HA 0.338 4.979 4.640 0.001 0.000 0.235 196 D C -0.567 175.813 176.300 0.133 0.000 1.158 196 D CA 0.252 54.308 54.000 0.093 0.000 0.990 196 D CB -0.026 40.827 40.800 0.089 0.000 1.094 196 D HN 0.464 nan 8.370 nan 0.000 0.486 197 R N -0.139 120.424 120.500 0.106 0.000 2.629 197 R HA 0.675 5.016 4.340 0.001 0.000 0.266 197 R C -0.572 175.706 176.300 -0.035 0.000 1.051 197 R CA -0.723 55.447 56.100 0.117 0.000 0.895 197 R CB 1.822 32.305 30.300 0.304 0.000 1.246 197 R HN 0.274 nan 8.270 nan 0.000 0.459 198 G N 0.558 109.329 108.800 -0.048 0.000 3.022 198 G HA2 0.381 4.342 3.960 0.001 0.000 0.284 198 G HA3 0.381 4.342 3.960 0.001 0.000 0.284 198 G C -1.359 173.519 174.900 -0.037 0.000 1.375 198 G CA -0.704 44.315 45.100 -0.135 0.000 0.902 198 G HN 0.501 nan 8.290 nan 0.000 0.538 199 Y N -0.636 119.676 120.300 0.019 0.000 2.578 199 Y HA 0.410 4.961 4.550 0.002 0.000 0.339 199 Y C 0.953 176.894 175.900 0.068 0.000 1.231 199 Y CA -0.907 57.226 58.100 0.055 0.000 1.461 199 Y CB 0.452 38.940 38.460 0.046 0.000 1.323 199 Y HN 0.210 nan 8.280 nan 0.000 0.590 200 L N 1.976 123.408 121.223 0.349 0.000 2.567 200 L HA 0.198 4.538 4.340 0.001 0.000 0.225 200 L C 0.623 177.653 176.870 0.268 0.000 1.119 200 L CA 0.520 55.509 54.840 0.250 0.000 0.871 200 L CB -0.002 42.157 42.059 0.168 0.000 1.036 200 L HN 0.753 nan 8.230 nan 0.000 0.459 201 S N -0.768 115.118 115.700 0.311 0.000 2.543 201 S HA 0.413 4.884 4.470 0.001 0.000 0.271 201 S C -2.228 172.369 174.600 -0.006 0.000 1.148 201 S CA -0.857 57.472 58.200 0.216 0.000 0.914 201 S CB 1.793 65.103 63.200 0.184 0.000 1.096 201 S HN -0.162 nan 8.310 nan 0.000 0.471 202 P HA 0.118 nan 4.420 nan 0.000 0.251 202 P C 0.531 177.656 177.300 -0.292 0.000 1.223 202 P CA 0.301 63.220 63.100 -0.301 0.000 0.796 202 P CB -0.129 31.514 31.700 -0.094 0.000 1.068 203 Y N -1.375 118.881 120.300 -0.074 0.000 2.680 203 Y HA 0.027 4.578 4.550 0.001 0.000 0.303 203 Y C 1.817 177.743 175.900 0.044 0.000 1.166 203 Y CA 0.786 58.876 58.100 -0.017 0.000 1.344 203 Y CB -0.682 37.773 38.460 -0.008 0.000 1.002 203 Y HN -0.010 nan 8.280 nan 0.000 0.537 204 F N -0.457 119.418 119.950 -0.124 0.000 2.653 204 F HA 0.282 4.810 4.527 0.001 0.000 0.304 204 F C 0.263 175.960 175.800 -0.171 0.000 1.092 204 F CA -0.368 57.555 58.000 -0.127 0.000 1.279 204 F CB 0.332 39.256 39.000 -0.128 0.000 1.044 204 F HN -0.204 nan 8.300 nan 0.000 0.564 205 I N 3.515 123.991 120.570 -0.158 0.000 2.705 205 I HA -0.169 4.002 4.170 0.001 0.000 0.291 205 I C 1.345 177.408 176.117 -0.090 0.000 1.146 205 I CA 0.350 61.541 61.300 -0.181 0.000 1.383 205 I CB -0.064 37.849 38.000 -0.146 0.000 1.454 205 I HN 0.373 nan 8.210 nan 0.000 0.581 206 N N 5.808 124.441 118.700 -0.113 0.000 2.412 206 N HA -0.050 4.690 4.740 0.001 0.000 0.184 206 N C 0.151 175.635 175.510 -0.043 0.000 1.101 206 N CA 0.207 53.231 53.050 -0.042 0.000 0.881 206 N CB 0.436 38.913 38.487 -0.017 0.000 0.969 206 N HN 0.343 nan 8.380 nan 0.000 0.459 207 K N 1.446 121.811 120.400 -0.058 0.000 2.533 207 K HA 0.286 4.606 4.320 0.001 0.000 0.207 207 K C -2.000 174.580 176.600 -0.033 0.000 1.052 207 K CA -1.905 54.358 56.287 -0.039 0.000 1.030 207 K CB 1.796 34.273 32.500 -0.039 0.000 1.522 207 K HN 0.002 nan 8.250 nan 0.000 0.543 208 P HA -0.157 nan 4.420 nan 0.000 0.220 208 P C 0.446 177.733 177.300 -0.021 0.000 1.144 208 P CA 1.112 64.195 63.100 -0.028 0.000 0.800 208 P CB 0.416 32.101 31.700 -0.025 0.000 0.772 209 E N -1.261 118.928 120.200 -0.018 0.000 2.333 209 E HA -0.118 4.233 4.350 0.001 0.000 0.198 209 E C 1.548 178.139 176.600 -0.015 0.000 1.007 209 E CA 1.850 58.240 56.400 -0.016 0.000 0.845 209 E CB -0.684 29.008 29.700 -0.015 0.000 0.766 209 E HN 0.438 nan 8.360 nan 0.000 0.507 210 T N -6.630 107.914 114.554 -0.016 0.000 3.098 210 T HA 0.376 4.727 4.350 0.001 0.000 0.256 210 T C 1.518 176.215 174.700 -0.005 0.000 0.921 210 T CA 0.101 62.193 62.100 -0.013 0.000 0.916 210 T CB 0.760 69.617 68.868 -0.017 0.000 1.246 210 T HN 0.221 nan 8.240 nan 0.000 0.511 211 G N 1.562 110.362 108.800 0.000 0.000 2.148 211 G HA2 0.197 4.158 3.960 0.001 0.000 0.203 211 G HA3 0.197 4.158 3.960 0.001 0.000 0.203 211 G C 0.179 175.122 174.900 0.072 0.000 0.993 211 G CA -0.116 45.004 45.100 0.034 0.000 0.661 211 G HN 1.181 nan 8.290 nan 0.000 0.518 212 A N -0.334 122.497 122.820 0.018 0.000 2.293 212 A HA 0.833 5.154 4.320 0.001 0.000 0.302 212 A C 0.285 177.828 177.584 -0.067 0.000 1.119 212 A CA -0.126 51.915 52.037 0.008 0.000 0.823 212 A CB 1.473 20.457 19.000 -0.028 0.000 1.097 212 A HN 1.140 nan 8.150 nan 0.000 0.491 213 V N 1.913 121.762 119.914 -0.108 0.000 2.435 213 V HA 0.336 4.457 4.120 0.001 0.000 0.290 213 V C -0.116 175.833 176.094 -0.242 0.000 1.030 213 V CA -0.426 61.676 62.300 -0.330 0.000 0.881 213 V CB 1.273 32.768 31.823 -0.546 0.000 0.983 213 V HN 0.944 nan 8.190 nan 0.000 0.445 214 E N 5.010 125.066 120.200 -0.240 0.000 2.129 214 E HA 0.506 4.857 4.350 0.001 0.000 0.268 214 E C -1.254 175.290 176.600 -0.094 0.000 0.900 214 E CA -0.476 55.848 56.400 -0.127 0.000 0.755 214 E CB 1.949 31.602 29.700 -0.078 0.000 1.117 214 E HN 0.532 nan 8.360 nan 0.000 0.410 215 L N 3.247 124.441 121.223 -0.050 0.000 2.297 215 L HA 0.335 4.675 4.340 0.001 0.000 0.277 215 L C 0.070 176.942 176.870 0.003 0.000 1.040 215 L CA -0.692 54.153 54.840 0.009 0.000 0.867 215 L CB 0.648 42.732 42.059 0.042 0.000 1.244 215 L HN 0.440 nan 8.230 nan 0.000 0.433 216 E N 1.469 121.670 120.200 0.003 0.000 2.383 216 E HA 0.035 4.386 4.350 0.001 0.000 0.264 216 E C 0.513 177.099 176.600 -0.023 0.000 1.050 216 E CA 0.121 56.515 56.400 -0.010 0.000 0.896 216 E CB 1.097 30.792 29.700 -0.008 0.000 0.982 216 E HN 0.420 nan 8.360 nan 0.000 0.424 217 S N 4.677 120.353 115.700 -0.039 0.000 3.636 217 S HA -0.118 4.353 4.470 0.001 0.000 0.142 217 S C -2.219 172.311 174.600 -0.116 0.000 0.328 217 S CA -0.151 58.008 58.200 -0.069 0.000 1.415 217 S CB -0.658 62.495 63.200 -0.079 0.000 1.171 217 S HN 0.316 nan 8.310 nan 0.000 0.260 218 P HA 0.460 nan 4.420 nan 0.000 0.287 218 P C -0.138 177.083 177.300 -0.131 0.000 1.296 218 P CA -0.822 62.238 63.100 -0.066 0.000 0.811 218 P CB 0.510 32.236 31.700 0.043 0.000 1.211 219 F N -0.694 119.282 119.950 0.043 0.000 2.370 219 F HA 0.451 4.978 4.527 0.001 0.000 0.319 219 F C 0.801 176.631 175.800 0.049 0.000 1.129 219 F CA -0.190 57.834 58.000 0.039 0.000 1.109 219 F CB 0.428 39.447 39.000 0.033 0.000 1.262 219 F HN 0.005 nan 8.300 nan 0.000 0.534 220 I N 3.265 124.004 120.570 0.282 0.000 2.500 220 I HA 0.243 4.414 4.170 0.001 0.000 0.286 220 I C -1.411 174.771 176.117 0.108 0.000 1.063 220 I CA -0.809 60.591 61.300 0.165 0.000 1.062 220 I CB 1.912 39.991 38.000 0.133 0.000 1.223 220 I HN 0.247 nan 8.210 nan 0.000 0.435 221 L N 7.949 129.215 121.223 0.073 0.000 2.307 221 L HA 0.621 4.962 4.340 0.001 0.000 0.282 221 L C -1.140 175.740 176.870 0.017 0.000 1.051 221 L CA -0.009 54.846 54.840 0.026 0.000 0.804 221 L CB 1.075 43.142 42.059 0.012 0.000 1.197 221 L HN 0.448 nan 8.230 nan 0.000 0.431 222 L N 5.604 126.824 121.223 -0.005 0.000 2.362 222 L HA 0.890 5.231 4.340 0.001 0.000 0.275 222 L C -0.546 176.309 176.870 -0.025 0.000 0.998 222 L CA -0.692 54.134 54.840 -0.024 0.000 0.820 222 L CB 1.716 43.753 42.059 -0.037 0.000 1.270 222 L HN 0.787 nan 8.230 nan 0.000 0.415 223 A N 1.058 123.862 122.820 -0.026 0.000 2.408 223 A HA 0.392 4.713 4.320 0.001 0.000 0.295 223 A C -0.558 177.012 177.584 -0.024 0.000 1.040 223 A CA -0.467 51.557 52.037 -0.021 0.000 0.707 223 A CB 1.426 20.419 19.000 -0.011 0.000 1.235 223 A HN 0.686 nan 8.150 nan 0.000 0.418 224 D N 1.404 121.790 120.400 -0.024 0.000 2.504 224 D HA 0.216 4.856 4.640 0.001 0.000 0.243 224 D C -0.001 176.290 176.300 -0.015 0.000 1.203 224 D CA 0.546 54.531 54.000 -0.024 0.000 0.847 224 D CB -0.357 40.428 40.800 -0.025 0.000 0.973 224 D HN 0.570 nan 8.370 nan 0.000 0.490 225 K N -1.442 118.952 120.400 -0.010 0.000 2.568 225 K HA 0.321 4.642 4.320 0.001 0.000 0.273 225 K C -0.796 175.806 176.600 0.004 0.000 0.951 225 K CA -1.100 55.185 56.287 -0.002 0.000 0.854 225 K CB 0.745 33.243 32.500 -0.003 0.000 1.424 225 K HN -0.135 nan 8.250 nan 0.000 0.427 226 K N 1.803 122.208 120.400 0.008 0.000 2.202 226 K HA 0.493 4.814 4.320 0.001 0.000 0.264 226 K C -0.638 175.969 176.600 0.012 0.000 1.010 226 K CA -0.583 55.712 56.287 0.014 0.000 0.940 226 K CB 0.646 33.156 32.500 0.017 0.000 0.983 226 K HN 0.588 nan 8.250 nan 0.000 0.475 227 I N 1.508 122.088 120.570 0.016 0.000 2.474 227 I HA 0.091 4.262 4.170 0.001 0.000 0.294 227 I C 0.488 176.614 176.117 0.015 0.000 1.005 227 I CA -0.615 60.694 61.300 0.014 0.000 1.113 227 I CB 2.083 40.093 38.000 0.016 0.000 1.289 227 I HN 0.899 nan 8.210 nan 0.000 0.436 228 S N 3.623 119.329 115.700 0.011 0.000 2.554 228 S HA 0.288 4.759 4.470 0.001 0.000 0.227 228 S C 0.182 174.786 174.600 0.007 0.000 1.050 228 S CA 0.068 58.274 58.200 0.010 0.000 0.927 228 S CB 0.102 63.307 63.200 0.008 0.000 0.859 228 S HN 0.763 nan 8.310 nan 0.000 0.494 229 N N 0.336 119.039 118.700 0.005 0.000 2.240 229 N HA 0.429 5.170 4.740 0.001 0.000 0.302 229 N C -0.061 175.449 175.510 -0.000 0.000 1.106 229 N CA -0.528 52.523 53.050 0.001 0.000 0.778 229 N CB 1.519 40.006 38.487 -0.001 0.000 1.431 229 N HN -0.028 nan 8.380 nan 0.000 0.479 230 I N 1.467 122.035 120.570 -0.003 0.000 2.676 230 I HA -0.034 4.137 4.170 0.001 0.000 0.259 230 I C 2.306 178.419 176.117 -0.008 0.000 1.194 230 I CA 0.987 62.283 61.300 -0.006 0.000 1.473 230 I CB -0.260 37.734 38.000 -0.010 0.000 1.096 230 I HN 0.592 nan 8.210 nan 0.000 0.443 231 R N 0.720 121.215 120.500 -0.007 0.000 2.227 231 R HA -0.344 3.997 4.340 0.001 0.000 0.246 231 R C 1.919 178.213 176.300 -0.010 0.000 1.119 231 R CA 2.796 58.891 56.100 -0.008 0.000 0.930 231 R CB -0.470 29.826 30.300 -0.007 0.000 0.912 231 R HN 0.374 nan 8.270 nan 0.000 0.435 232 E N -0.562 119.633 120.200 -0.009 0.000 2.347 232 E HA -0.079 4.272 4.350 0.001 0.000 0.196 232 E C 1.866 178.457 176.600 -0.014 0.000 1.008 232 E CA 0.914 57.307 56.400 -0.011 0.000 0.852 232 E CB 0.057 29.752 29.700 -0.010 0.000 0.783 232 E HN 0.356 nan 8.360 nan 0.000 0.505 233 M N -0.119 119.474 119.600 -0.012 0.000 2.319 233 M HA -0.029 4.452 4.480 0.001 0.000 0.265 233 M C 1.921 178.209 176.300 -0.020 0.000 1.068 233 M CA 1.047 56.338 55.300 -0.015 0.000 1.118 233 M CB -0.554 32.041 32.600 -0.009 0.000 1.395 233 M HN 0.199 nan 8.290 nan 0.000 0.435 234 L N -0.120 121.092 121.223 -0.018 0.000 2.043 234 L HA -0.216 4.125 4.340 0.001 0.000 0.212 234 L C -0.365 176.491 176.870 -0.022 0.000 1.075 234 L CA 1.569 56.399 54.840 -0.018 0.000 0.752 234 L CB -2.527 39.522 42.059 -0.015 0.000 0.891 234 L HN 0.191 nan 8.230 nan 0.000 0.432 235 P HA -0.115 nan 4.420 nan 0.000 0.216 235 P C 1.955 179.229 177.300 -0.044 0.000 1.153 235 P CA 1.086 64.167 63.100 -0.031 0.000 0.848 235 P CB 0.048 31.730 31.700 -0.031 0.000 0.787 236 V N -0.354 119.530 119.914 -0.051 0.000 2.358 236 V HA -0.198 3.923 4.120 0.001 0.000 0.246 236 V C 2.439 178.495 176.094 -0.063 0.000 1.047 236 V CA 1.340 63.595 62.300 -0.076 0.000 1.035 236 V CB -1.234 30.545 31.823 -0.075 0.000 0.658 236 V HN 0.069 nan 8.190 nan 0.000 0.452 237 L N 0.103 121.304 121.223 -0.036 0.000 1.989 237 L HA -0.255 4.086 4.340 0.001 0.000 0.211 237 L C 2.718 179.579 176.870 -0.014 0.000 1.071 237 L CA 2.343 57.172 54.840 -0.018 0.000 0.749 237 L CB -0.259 41.791 42.059 -0.015 0.000 0.890 237 L HN 0.400 nan 8.230 nan 0.000 0.431 238 E N 0.046 120.235 120.200 -0.018 0.000 2.058 238 E HA -0.250 4.100 4.350 0.001 0.000 0.194 238 E C 1.934 178.528 176.600 -0.011 0.000 0.997 238 E CA 1.833 58.225 56.400 -0.012 0.000 0.801 238 E CB -0.236 29.455 29.700 -0.015 0.000 0.746 238 E HN 0.557 nan 8.360 nan 0.000 0.450 239 A N -0.185 122.617 122.820 -0.030 0.000 1.898 239 A HA -0.097 4.224 4.320 0.001 0.000 0.216 239 A C 2.513 180.085 177.584 -0.020 0.000 1.181 239 A CA 1.489 53.503 52.037 -0.038 0.000 0.620 239 A CB -0.647 18.305 19.000 -0.080 0.000 0.819 239 A HN 0.205 nan 8.150 nan 0.000 0.442 240 V N -0.199 119.696 119.914 -0.031 0.000 2.427 240 V HA -0.212 3.909 4.120 0.001 0.000 0.248 240 V C 3.031 179.194 176.094 0.115 0.000 1.051 240 V CA 1.818 64.153 62.300 0.059 0.000 1.048 240 V CB -1.043 30.806 31.823 0.043 0.000 0.666 240 V HN 0.609 nan 8.190 nan 0.000 0.456 241 A N -0.219 122.637 122.820 0.060 0.000 1.902 241 A HA -0.231 4.090 4.320 0.001 0.000 0.217 241 A C 2.249 179.865 177.584 0.052 0.000 1.181 241 A CA 1.876 53.943 52.037 0.051 0.000 0.623 241 A CB -0.434 18.580 19.000 0.024 0.000 0.818 241 A HN 0.527 nan 8.150 nan 0.000 0.443 242 K N -0.331 120.096 120.400 0.044 0.000 2.209 242 K HA -0.035 4.286 4.320 0.001 0.000 0.204 242 K C 1.815 178.455 176.600 0.067 0.000 1.048 242 K CA 1.050 57.363 56.287 0.043 0.000 0.940 242 K CB -0.222 32.296 32.500 0.030 0.000 0.729 242 K HN 0.451 nan 8.250 nan 0.000 0.451 243 A N -0.034 122.852 122.820 0.110 0.000 2.251 243 A HA 0.226 4.547 4.320 0.001 0.000 0.209 243 A C 1.610 179.269 177.584 0.126 0.000 1.187 243 A CA 0.769 52.902 52.037 0.159 0.000 0.823 243 A CB -0.269 18.928 19.000 0.328 0.000 0.846 243 A HN 0.383 nan 8.150 nan 0.000 0.486 244 G N -0.283 108.577 108.800 0.100 0.000 2.302 244 G HA2 -0.344 3.617 3.960 0.001 0.000 0.263 244 G HA3 -0.344 3.617 3.960 0.001 0.000 0.263 244 G C 0.442 175.379 174.900 0.062 0.000 0.995 244 G CA 0.956 46.094 45.100 0.064 0.000 0.622 244 G HN 0.602 nan 8.290 nan 0.000 0.538 245 K N 1.627 122.073 120.400 0.077 0.000 2.326 245 K HA 0.427 4.748 4.320 0.001 0.000 0.275 245 K C -2.020 174.643 176.600 0.104 0.000 1.018 245 K CA -1.457 54.842 56.287 0.020 0.000 0.962 245 K CB 0.609 32.993 32.500 -0.193 0.000 0.953 245 K HN 0.109 nan 8.250 nan 0.000 0.475 246 P HA 0.010 nan 4.420 nan 0.000 0.270 246 P C -1.224 176.180 177.300 0.173 0.000 1.227 246 P CA -0.340 62.839 63.100 0.131 0.000 0.788 246 P CB 0.447 32.222 31.700 0.126 0.000 0.926 247 L N 1.311 122.648 121.223 0.190 0.000 2.455 247 L HA 0.607 4.948 4.340 0.001 0.000 0.264 247 L C -1.784 175.199 176.870 0.188 0.000 0.968 247 L CA -0.922 54.039 54.840 0.202 0.000 0.827 247 L CB 1.912 44.078 42.059 0.178 0.000 1.317 247 L HN 0.117 nan 8.230 nan 0.000 0.407 248 L N 5.237 126.567 121.223 0.177 0.000 2.307 248 L HA 0.664 5.005 4.340 0.001 0.000 0.284 248 L C -1.145 175.809 176.870 0.140 0.000 1.023 248 L CA -0.035 54.907 54.840 0.171 0.000 0.810 248 L CB 1.320 43.486 42.059 0.177 0.000 1.231 248 L HN 0.556 nan 8.230 nan 0.000 0.423 249 I N 6.583 127.230 120.570 0.128 0.000 2.307 249 I HA 0.311 4.482 4.170 0.001 0.000 0.289 249 I C -0.128 176.047 176.117 0.096 0.000 1.021 249 I CA 0.132 61.487 61.300 0.092 0.000 1.224 249 I CB 0.819 38.863 38.000 0.073 0.000 1.376 249 I HN 0.427 nan 8.210 nan 0.000 0.470 250 I N 6.644 127.252 120.570 0.064 0.000 2.268 250 I HA 0.452 4.623 4.170 0.001 0.000 0.290 250 I C 0.734 176.850 176.117 -0.001 0.000 1.125 250 I CA -0.303 61.013 61.300 0.026 0.000 1.236 250 I CB 0.155 38.117 38.000 -0.063 0.000 1.469 250 I HN 0.626 nan 8.210 nan 0.000 0.512 251 A N 4.149 126.981 122.820 0.020 0.000 2.272 251 A HA 0.228 4.549 4.320 0.001 0.000 0.275 251 A C 1.360 178.945 177.584 0.001 0.000 1.096 251 A CA -0.321 51.721 52.037 0.009 0.000 0.822 251 A CB 0.631 19.644 19.000 0.022 0.000 1.088 251 A HN 0.743 nan 8.150 nan 0.000 0.495 252 E N -0.807 119.392 120.200 -0.003 0.000 2.077 252 E HA -0.152 4.198 4.350 0.001 0.000 0.193 252 E C -0.149 176.463 176.600 0.019 0.000 0.989 252 E CA 1.519 57.919 56.400 -0.000 0.000 0.800 252 E CB 0.167 29.867 29.700 -0.001 0.000 0.746 252 E HN 0.672 nan 8.360 nan 0.000 0.452 253 D N -1.877 118.538 120.400 0.026 0.000 2.639 253 D HA 0.306 4.947 4.640 0.001 0.000 0.271 253 D C -1.808 174.514 176.300 0.037 0.000 1.254 253 D CA -0.527 53.495 54.000 0.037 0.000 0.810 253 D CB 2.292 43.112 40.800 0.034 0.000 1.351 253 D HN -0.111 nan 8.370 nan 0.000 0.427 254 V N 1.487 121.428 119.914 0.044 0.000 2.777 254 V HA 0.515 4.636 4.120 0.001 0.000 0.306 254 V C -0.060 176.059 176.094 0.043 0.000 1.112 254 V CA -0.615 61.711 62.300 0.043 0.000 0.917 254 V CB 1.865 33.720 31.823 0.053 0.000 1.018 254 V HN 0.716 nan 8.190 nan 0.000 0.426 255 E N 2.948 123.168 120.200 0.033 0.000 2.151 255 E HA 0.778 5.128 4.350 0.001 0.000 0.197 255 E C 0.519 177.132 176.600 0.022 0.000 1.085 255 E CA -0.266 56.153 56.400 0.030 0.000 0.873 255 E CB 1.106 30.823 29.700 0.029 0.000 2.021 255 E HN 1.395 nan 8.360 nan 0.000 0.468 256 G N 1.178 109.988 108.800 0.017 0.000 2.550 256 G HA2 -0.415 3.546 3.960 0.001 0.000 0.277 256 G HA3 -0.415 3.546 3.960 0.001 0.000 0.277 256 G C 0.662 175.566 174.900 0.008 0.000 1.190 256 G CA 1.127 46.233 45.100 0.011 0.000 0.971 256 G HN 0.823 nan 8.290 nan 0.000 0.559 257 E N 0.473 120.676 120.200 0.004 0.000 2.318 257 E HA 0.532 4.883 4.350 0.001 0.000 0.193 257 E C 2.595 179.195 176.600 0.000 0.000 0.998 257 E CA 1.819 58.219 56.400 -0.001 0.000 0.859 257 E CB -0.563 29.134 29.700 -0.006 0.000 0.812 257 E HN 1.344 nan 8.360 nan 0.000 0.492 258 A N 1.374 124.198 122.820 0.006 0.000 1.948 258 A HA -0.158 4.163 4.320 0.001 0.000 0.220 258 A C 2.167 179.759 177.584 0.013 0.000 1.177 258 A CA 1.613 53.655 52.037 0.008 0.000 0.636 258 A CB -0.744 18.264 19.000 0.013 0.000 0.815 258 A HN 0.339 nan 8.150 nan 0.000 0.449 259 L N -0.321 120.915 121.223 0.021 0.000 1.994 259 L HA -0.061 4.279 4.340 0.001 0.000 0.208 259 L C 2.708 179.584 176.870 0.010 0.000 1.071 259 L CA 2.388 57.246 54.840 0.030 0.000 0.745 259 L CB -0.965 41.121 42.059 0.044 0.000 0.892 259 L HN 0.335 nan 8.230 nan 0.000 0.431 260 A N -1.072 121.746 122.820 -0.003 0.000 1.877 260 A HA -0.231 4.090 4.320 0.001 0.000 0.216 260 A C 2.325 179.888 177.584 -0.034 0.000 1.186 260 A CA 2.643 54.665 52.037 -0.025 0.000 0.620 260 A CB -1.459 17.524 19.000 -0.028 0.000 0.822 260 A HN 0.639 nan 8.150 nan 0.000 0.443 261 T N -1.339 113.199 114.554 -0.026 0.000 2.867 261 T HA -0.038 4.313 4.350 0.001 0.000 0.268 261 T C 1.830 176.509 174.700 -0.036 0.000 1.057 261 T CA 1.362 63.444 62.100 -0.030 0.000 1.136 261 T CB -0.520 68.336 68.868 -0.021 0.000 0.874 261 T HN 0.283 nan 8.240 nan 0.000 0.466 262 L N 0.608 121.814 121.223 -0.028 0.000 2.027 262 L HA -0.027 4.314 4.340 0.001 0.000 0.206 262 L C 2.953 179.776 176.870 -0.078 0.000 1.074 262 L CA 0.865 55.682 54.840 -0.038 0.000 0.745 262 L CB -0.625 41.430 42.059 -0.007 0.000 0.898 262 L HN 0.153 nan 8.230 nan 0.000 0.433 263 V N -0.712 119.162 119.914 -0.066 0.000 2.407 263 V HA -0.241 3.880 4.120 0.001 0.000 0.248 263 V C 2.425 178.450 176.094 -0.116 0.000 1.055 263 V CA 1.343 63.584 62.300 -0.098 0.000 1.049 263 V CB -0.189 31.607 31.823 -0.046 0.000 0.662 263 V HN 0.197 nan 8.190 nan 0.000 0.455 264 V N 0.410 120.271 119.914 -0.089 0.000 2.295 264 V HA -0.266 3.855 4.120 0.001 0.000 0.246 264 V C 2.261 178.301 176.094 -0.089 0.000 1.049 264 V CA 2.179 64.430 62.300 -0.082 0.000 1.024 264 V CB -0.801 30.985 31.823 -0.062 0.000 0.648 264 V HN 0.604 nan 8.190 nan 0.000 0.447 265 N N -0.305 118.342 118.700 -0.088 0.000 2.364 265 N HA -0.129 4.611 4.740 0.001 0.000 0.183 265 N C 1.758 177.190 175.510 -0.130 0.000 1.022 265 N CA 1.797 54.794 53.050 -0.087 0.000 0.883 265 N CB -0.003 38.444 38.487 -0.066 0.000 0.965 265 N HN 0.526 nan 8.380 nan 0.000 0.438 266 T N 1.166 115.595 114.554 -0.208 0.000 2.706 266 T HA 0.004 4.355 4.350 0.001 0.000 0.255 266 T C 1.937 176.511 174.700 -0.210 0.000 1.048 266 T CA 0.393 62.299 62.100 -0.324 0.000 1.153 266 T CB -0.076 68.381 68.868 -0.684 0.000 0.865 266 T HN 0.134 nan 8.240 nan 0.000 0.414 267 M N 0.595 120.097 119.600 -0.164 0.000 2.267 267 M HA -0.032 4.449 4.480 0.001 0.000 0.263 267 M C 1.867 178.131 176.300 -0.059 0.000 1.063 267 M CA 1.401 56.649 55.300 -0.087 0.000 1.090 267 M CB -0.020 32.539 32.600 -0.068 0.000 1.392 267 M HN -0.063 nan 8.290 nan 0.000 0.422 268 R N -0.065 120.397 120.500 -0.065 0.000 2.320 268 R HA 0.138 4.479 4.340 0.001 0.000 0.211 268 R C 0.891 177.167 176.300 -0.039 0.000 0.931 268 R CA 0.854 56.927 56.100 -0.046 0.000 1.071 268 R CB -0.532 29.741 30.300 -0.044 0.000 1.025 268 R HN 0.610 nan 8.270 nan 0.000 0.495 269 G N -0.189 108.583 108.800 -0.047 0.000 2.141 269 G HA2 -0.230 3.730 3.960 0.001 0.000 0.242 269 G HA3 -0.230 3.730 3.960 0.001 0.000 0.242 269 G C 0.639 175.521 174.900 -0.030 0.000 0.982 269 G CA 0.354 45.435 45.100 -0.033 0.000 0.662 269 G HN 0.209 nan 8.290 nan 0.000 0.527 270 I N -0.061 120.485 120.570 -0.041 0.000 2.188 270 I HA 0.190 4.360 4.170 0.001 0.000 0.237 270 I C 1.485 177.589 176.117 -0.022 0.000 1.073 270 I CA 2.096 63.379 61.300 -0.028 0.000 1.359 270 I CB -1.343 36.639 38.000 -0.031 0.000 1.083 270 I HN 0.656 nan 8.210 nan 0.000 0.412 271 V N -1.960 117.929 119.914 -0.041 0.000 2.969 271 V HA 0.399 4.519 4.120 0.001 0.000 0.304 271 V C -0.287 175.764 176.094 -0.071 0.000 1.192 271 V CA -1.391 60.896 62.300 -0.023 0.000 0.962 271 V CB 1.934 33.760 31.823 0.005 0.000 1.045 271 V HN 0.085 nan 8.190 nan 0.000 0.428 272 K N 2.687 123.080 120.400 -0.013 0.000 2.250 272 K HA 0.364 4.685 4.320 0.001 0.000 0.277 272 K C -0.233 176.405 176.600 0.064 0.000 1.091 272 K CA 0.126 56.423 56.287 0.017 0.000 1.046 272 K CB 0.676 33.341 32.500 0.274 0.000 0.982 272 K HN 0.908 nan 8.250 nan 0.000 0.429 273 V N 0.065 119.915 119.914 -0.106 0.000 2.409 273 V HA 0.737 4.858 4.120 0.001 0.000 0.291 273 V C -0.237 175.953 176.094 0.160 0.000 1.020 273 V CA -1.054 61.272 62.300 0.044 0.000 0.848 273 V CB 1.504 33.323 31.823 -0.007 0.000 0.990 273 V HN 0.578 nan 8.190 nan 0.000 0.430 274 A N 3.898 126.912 122.820 0.322 0.000 2.340 274 A HA 1.030 5.351 4.320 0.001 0.000 0.331 274 A C 0.072 177.786 177.584 0.216 0.000 1.140 274 A CA -0.238 52.009 52.037 0.350 0.000 0.801 274 A CB 1.657 20.863 19.000 0.344 0.000 1.234 274 A HN 2.174 nan 8.150 nan 0.000 0.469 275 A N 0.925 123.866 122.820 0.202 0.000 2.371 275 A HA 0.787 5.108 4.320 0.001 0.000 0.311 275 A C -0.423 177.268 177.584 0.177 0.000 1.068 275 A CA -0.080 52.053 52.037 0.159 0.000 0.744 275 A CB 1.236 20.308 19.000 0.120 0.000 1.239 275 A HN 2.304 nan 8.150 nan 0.000 0.435 276 V N -0.567 119.446 119.914 0.164 0.000 3.114 276 V HA 0.657 4.778 4.120 0.001 0.000 0.308 276 V C -0.669 175.506 176.094 0.134 0.000 1.168 276 V CA -1.250 61.155 62.300 0.174 0.000 1.015 276 V CB 1.662 33.634 31.823 0.248 0.000 1.050 276 V HN 0.873 nan 8.190 nan 0.000 0.433 277 K N 2.009 122.483 120.400 0.123 0.000 2.202 277 K HA 0.723 5.044 4.320 0.001 0.000 0.264 277 K C 0.245 176.889 176.600 0.072 0.000 1.010 277 K CA 0.160 56.498 56.287 0.085 0.000 0.940 277 K CB 1.364 33.910 32.500 0.078 0.000 0.983 277 K HN 1.125 nan 8.250 nan 0.000 0.475 278 A N 3.357 126.185 122.820 0.013 0.000 2.388 278 A HA 0.259 4.580 4.320 0.001 0.000 0.257 278 A C -2.092 175.473 177.584 -0.033 0.000 1.095 278 A CA -1.293 50.708 52.037 -0.060 0.000 0.791 278 A CB -0.314 18.640 19.000 -0.078 0.000 1.029 278 A HN 0.446 nan 8.150 nan 0.000 0.489 279 P HA 0.458 nan 4.420 nan 0.000 0.276 279 P C 0.567 177.839 177.300 -0.046 0.000 1.230 279 P CA 1.321 64.422 63.100 0.003 0.000 0.776 279 P CB 1.004 32.716 31.700 0.021 0.000 0.888 280 G N 2.492 111.294 108.800 0.004 0.000 2.548 280 G HA2 0.053 4.013 3.960 0.001 0.000 0.208 280 G HA3 0.053 4.013 3.960 0.001 0.000 0.208 280 G C -1.240 173.687 174.900 0.044 0.000 1.308 280 G CA -0.346 44.710 45.100 -0.073 0.000 0.924 280 G HN 0.635 nan 8.290 nan 0.000 0.540 281 F N -1.441 118.518 119.950 0.014 0.000 2.601 281 F HA 0.804 5.332 4.527 0.002 0.000 0.309 281 F C 0.947 176.753 175.800 0.010 0.000 1.089 281 F CA 0.019 58.030 58.000 0.017 0.000 0.940 281 F CB 1.182 40.201 39.000 0.031 0.000 1.273 281 F HN 2.418 nan 8.300 nan 0.000 0.450 282 G N 1.912 110.833 108.800 0.201 0.000 2.581 282 G HA2 -0.318 3.643 3.960 0.001 0.000 0.291 282 G HA3 -0.318 3.643 3.960 0.001 0.000 0.291 282 G C 0.404 175.313 174.900 0.015 0.000 1.277 282 G CA 0.634 45.808 45.100 0.124 0.000 0.959 282 G HN 0.843 nan 8.290 nan 0.000 0.554 283 D N 0.123 120.528 120.400 0.008 0.000 2.263 283 D HA -0.071 4.570 4.640 0.001 0.000 0.208 283 D C 2.333 178.576 176.300 -0.095 0.000 0.971 283 D CA 1.129 55.109 54.000 -0.033 0.000 0.867 283 D CB -0.104 40.688 40.800 -0.014 0.000 0.929 283 D HN 0.470 nan 8.370 nan 0.000 0.492 284 R N 0.968 121.366 120.500 -0.169 0.000 2.148 284 R HA -0.047 4.293 4.340 0.001 0.000 0.227 284 R C 2.220 178.337 176.300 -0.305 0.000 1.103 284 R CA 0.525 56.445 56.100 -0.300 0.000 0.983 284 R CB 0.086 30.063 30.300 -0.539 0.000 0.874 284 R HN 0.011 nan 8.270 nan 0.000 0.451 285 R N 0.820 121.170 120.500 -0.251 0.000 2.073 285 R HA -0.143 4.198 4.340 0.001 0.000 0.234 285 R C 1.769 177.990 176.300 -0.132 0.000 1.134 285 R CA 1.929 57.927 56.100 -0.169 0.000 0.952 285 R CB 0.029 30.276 30.300 -0.088 0.000 0.850 285 R HN 0.193 nan 8.270 nan 0.000 0.433 286 K N -0.142 120.196 120.400 -0.104 0.000 2.057 286 K HA -0.108 4.213 4.320 0.001 0.000 0.207 286 K C 2.155 178.697 176.600 -0.096 0.000 1.049 286 K CA 1.379 57.615 56.287 -0.085 0.000 0.931 286 K CB -0.220 32.244 32.500 -0.061 0.000 0.714 286 K HN 0.185 nan 8.250 nan 0.000 0.440 287 A N 1.775 124.531 122.820 -0.108 0.000 1.883 287 A HA -0.162 4.159 4.320 0.001 0.000 0.217 287 A C 2.180 179.697 177.584 -0.111 0.000 1.186 287 A CA 1.696 53.671 52.037 -0.103 0.000 0.624 287 A CB -0.511 18.422 19.000 -0.113 0.000 0.822 287 A HN 0.207 nan 8.150 nan 0.000 0.444 288 M N -1.396 118.121 119.600 -0.138 0.000 2.394 288 M HA -0.004 4.477 4.480 0.001 0.000 0.264 288 M C 2.045 178.251 176.300 -0.158 0.000 1.073 288 M CA 0.710 55.927 55.300 -0.138 0.000 1.111 288 M CB -0.250 32.261 32.600 -0.149 0.000 1.401 288 M HN 0.426 nan 8.290 nan 0.000 0.448 289 L N 0.772 121.900 121.223 -0.158 0.000 2.093 289 L HA -0.184 4.157 4.340 0.001 0.000 0.208 289 L C 2.480 179.282 176.870 -0.114 0.000 1.085 289 L CA 1.910 56.654 54.840 -0.160 0.000 0.755 289 L CB -0.633 41.345 42.059 -0.135 0.000 0.904 289 L HN 0.250 nan 8.230 nan 0.000 0.435 290 Q N -0.442 119.304 119.800 -0.089 0.000 2.119 290 Q HA -0.200 4.141 4.340 0.001 0.000 0.201 290 Q C 1.714 177.678 176.000 -0.059 0.000 0.972 290 Q CA 1.978 57.742 55.803 -0.065 0.000 0.847 290 Q CB -0.293 28.412 28.738 -0.056 0.000 0.903 290 Q HN 0.528 nan 8.270 nan 0.000 0.433 291 D N 0.038 120.397 120.400 -0.068 0.000 2.117 291 D HA -0.150 4.491 4.640 0.001 0.000 0.197 291 D C 1.860 178.134 176.300 -0.044 0.000 0.987 291 D CA 1.419 55.387 54.000 -0.052 0.000 0.829 291 D CB -0.202 40.565 40.800 -0.055 0.000 0.961 291 D HN 0.396 nan 8.370 nan 0.000 0.460 292 I N 1.233 121.761 120.570 -0.070 0.000 2.226 292 I HA -0.254 3.916 4.170 0.001 0.000 0.245 292 I C 2.504 178.602 176.117 -0.031 0.000 1.100 292 I CA 1.023 62.289 61.300 -0.058 0.000 1.374 292 I CB -0.241 37.676 38.000 -0.139 0.000 1.057 292 I HN -0.077 nan 8.210 nan 0.000 0.413 293 A N 0.431 123.227 122.820 -0.040 0.000 1.908 293 A HA -0.208 4.113 4.320 0.001 0.000 0.218 293 A C 2.389 179.968 177.584 -0.008 0.000 1.181 293 A CA 2.525 54.550 52.037 -0.021 0.000 0.627 293 A CB -1.067 17.916 19.000 -0.029 0.000 0.818 293 A HN 0.409 nan 8.150 nan 0.000 0.445 294 T N -0.092 114.455 114.554 -0.012 0.000 2.812 294 T HA -0.078 4.273 4.350 0.001 0.000 0.264 294 T C 1.836 176.538 174.700 0.003 0.000 1.042 294 T CA 1.304 63.401 62.100 -0.005 0.000 1.140 294 T CB -0.350 68.512 68.868 -0.010 0.000 0.870 294 T HN 0.312 nan 8.240 nan 0.000 0.445 295 L N 2.079 123.305 121.223 0.005 0.000 2.042 295 L HA -0.100 4.241 4.340 0.001 0.000 0.210 295 L C 2.557 179.440 176.870 0.021 0.000 1.076 295 L CA 2.268 57.117 54.840 0.014 0.000 0.749 295 L CB -1.121 40.950 42.059 0.019 0.000 0.893 295 L HN 0.427 nan 8.230 nan 0.000 0.432 296 T N -3.575 110.995 114.554 0.026 0.000 3.067 296 T HA 0.277 4.627 4.350 0.001 0.000 0.257 296 T C 1.287 176.012 174.700 0.042 0.000 1.105 296 T CA 0.310 62.433 62.100 0.039 0.000 1.104 296 T CB -0.483 68.416 68.868 0.051 0.000 0.925 296 T HN 0.772 nan 8.240 nan 0.000 0.498 297 G N 0.502 109.321 108.800 0.032 0.000 2.341 297 G HA2 0.210 4.171 3.960 0.001 0.000 0.278 297 G HA3 0.210 4.171 3.960 0.001 0.000 0.278 297 G C 0.157 175.082 174.900 0.041 0.000 1.111 297 G CA -0.254 44.866 45.100 0.033 0.000 0.982 297 G HN 1.050 nan 8.290 nan 0.000 0.502 298 G N -1.427 107.391 108.800 0.029 0.000 2.818 298 G HA2 0.887 4.848 3.960 0.001 0.000 0.286 298 G HA3 0.887 4.848 3.960 0.001 0.000 0.286 298 G C -0.568 174.335 174.900 0.005 0.000 1.364 298 G CA 0.121 45.236 45.100 0.025 0.000 0.938 298 G HN 0.690 nan 8.290 nan 0.000 0.490 299 T N -0.047 114.505 114.554 -0.003 0.000 2.856 299 T HA 0.504 4.855 4.350 0.001 0.000 0.283 299 T C -0.368 174.320 174.700 -0.019 0.000 1.008 299 T CA -0.291 61.802 62.100 -0.013 0.000 0.997 299 T CB 1.837 70.696 68.868 -0.015 0.000 0.992 299 T HN 0.344 nan 8.240 nan 0.000 0.454 300 V N 3.889 123.789 119.914 -0.024 0.000 2.385 300 V HA 0.294 4.415 4.120 0.001 0.000 0.269 300 V C -0.068 176.010 176.094 -0.025 0.000 1.043 300 V CA -0.727 61.555 62.300 -0.029 0.000 0.906 300 V CB 0.484 32.285 31.823 -0.037 0.000 0.995 300 V HN 0.706 nan 8.190 nan 0.000 0.467 301 I N 4.526 125.082 120.570 -0.024 0.000 2.421 301 I HA 0.138 4.309 4.170 0.001 0.000 0.291 301 I C 0.774 176.879 176.117 -0.020 0.000 1.089 301 I CA 0.952 62.239 61.300 -0.021 0.000 1.354 301 I CB 1.116 39.103 38.000 -0.021 0.000 1.413 301 I HN 0.576 nan 8.210 nan 0.000 0.513 302 S N 5.454 121.143 115.700 -0.018 0.000 2.461 302 S HA 0.180 4.651 4.470 0.001 0.000 0.322 302 S C 1.230 175.822 174.600 -0.013 0.000 1.063 302 S CA -0.643 57.547 58.200 -0.017 0.000 1.120 302 S CB 0.255 63.444 63.200 -0.018 0.000 0.968 302 S HN 0.754 nan 8.310 nan 0.000 0.467 303 E N 3.467 123.661 120.200 -0.011 0.000 2.130 303 E HA -0.204 4.147 4.350 0.001 0.000 0.196 303 E C 0.995 177.591 176.600 -0.007 0.000 0.998 303 E CA 1.525 57.920 56.400 -0.008 0.000 0.806 303 E CB 0.035 29.731 29.700 -0.006 0.000 0.738 303 E HN 0.819 nan 8.360 nan 0.000 0.459 304 E N -0.094 120.101 120.200 -0.008 0.000 2.482 304 E HA -0.080 4.271 4.350 0.001 0.000 0.196 304 E C 1.564 178.159 176.600 -0.007 0.000 1.047 304 E CA 0.788 57.184 56.400 -0.006 0.000 0.869 304 E CB 0.015 29.712 29.700 -0.006 0.000 0.836 304 E HN 0.583 nan 8.360 nan 0.000 0.520 305 I N -4.849 115.716 120.570 -0.008 0.000 4.102 305 I HA 0.468 4.638 4.170 0.001 0.000 0.325 305 I C 0.869 176.981 176.117 -0.008 0.000 1.471 305 I CA -0.173 61.122 61.300 -0.008 0.000 1.133 305 I CB 0.875 38.869 38.000 -0.009 0.000 1.184 305 I HN -0.026 nan 8.210 nan 0.000 0.451 306 G N 1.950 110.745 108.800 -0.008 0.000 2.130 306 G HA2 -0.216 3.745 3.960 0.001 0.000 0.216 306 G HA3 -0.216 3.745 3.960 0.001 0.000 0.216 306 G C 0.024 174.918 174.900 -0.009 0.000 0.999 306 G CA -0.142 44.954 45.100 -0.008 0.000 0.686 306 G HN 0.374 nan 8.290 nan 0.000 0.515 307 M N 1.055 120.648 119.600 -0.011 0.000 2.219 307 M HA 0.264 4.745 4.480 0.001 0.000 0.353 307 M C 0.691 176.983 176.300 -0.013 0.000 1.304 307 M CA 0.332 55.624 55.300 -0.012 0.000 1.115 307 M CB 0.471 33.062 32.600 -0.014 0.000 1.664 307 M HN 0.226 nan 8.290 nan 0.000 0.459 308 E N 1.808 122.000 120.200 -0.013 0.000 2.354 308 E HA 0.010 4.361 4.350 0.001 0.000 0.269 308 E C 0.412 177.001 176.600 -0.017 0.000 1.036 308 E CA -0.349 56.042 56.400 -0.014 0.000 0.876 308 E CB 1.253 30.944 29.700 -0.014 0.000 1.009 308 E HN 0.521 nan 8.360 nan 0.000 0.416 309 L N 3.161 124.373 121.223 -0.018 0.000 2.249 309 L HA -0.033 4.308 4.340 0.001 0.000 0.207 309 L C 1.561 178.415 176.870 -0.026 0.000 1.090 309 L CA 1.514 56.341 54.840 -0.022 0.000 0.802 309 L CB -0.081 41.967 42.059 -0.019 0.000 0.947 309 L HN 0.551 nan 8.230 nan 0.000 0.453 310 E N 0.338 120.525 120.200 -0.023 0.000 2.396 310 E HA -0.202 4.148 4.350 0.001 0.000 0.200 310 E C 1.022 177.605 176.600 -0.028 0.000 1.023 310 E CA 1.084 57.470 56.400 -0.024 0.000 0.857 310 E CB 0.005 29.693 29.700 -0.019 0.000 0.775 310 E HN 0.588 nan 8.360 nan 0.000 0.525 311 K N -0.489 119.893 120.400 -0.028 0.000 2.413 311 K HA 0.355 4.675 4.320 0.001 0.000 0.204 311 K C 0.150 176.728 176.600 -0.037 0.000 1.041 311 K CA -0.199 56.070 56.287 -0.030 0.000 1.082 311 K CB 0.848 33.335 32.500 -0.023 0.000 0.871 311 K HN -0.105 nan 8.250 nan 0.000 0.535 312 A N 2.319 125.113 122.820 -0.044 0.000 2.520 312 A HA 0.202 4.523 4.320 0.001 0.000 0.245 312 A C 0.514 178.052 177.584 -0.077 0.000 1.072 312 A CA 0.119 52.123 52.037 -0.055 0.000 0.761 312 A CB -0.033 18.933 19.000 -0.056 0.000 1.004 312 A HN 0.521 nan 8.150 nan 0.000 0.499 313 T N 0.445 114.953 114.554 -0.077 0.000 2.912 313 T HA 0.479 4.830 4.350 0.001 0.000 0.280 313 T C 1.041 175.649 174.700 -0.154 0.000 0.989 313 T CA -0.725 61.320 62.100 -0.092 0.000 0.995 313 T CB 0.534 69.370 68.868 -0.054 0.000 1.077 313 T HN 0.399 nan 8.240 nan 0.000 0.531 314 L N -0.108 121.005 121.223 -0.184 0.000 2.450 314 L HA 0.031 4.372 4.340 0.001 0.000 0.224 314 L C 2.672 179.505 176.870 -0.062 0.000 1.149 314 L CA 1.177 55.848 54.840 -0.282 0.000 0.816 314 L CB -0.550 41.398 42.059 -0.186 0.000 0.932 314 L HN 0.850 nan 8.230 nan 0.000 0.449 315 E N 0.010 120.198 120.200 -0.021 0.000 2.250 315 E HA -0.136 4.215 4.350 0.001 0.000 0.192 315 E C 1.366 177.973 176.600 0.012 0.000 0.986 315 E CA 0.364 56.779 56.400 0.024 0.000 0.849 315 E CB 0.351 30.062 29.700 0.018 0.000 0.797 315 E HN 0.424 nan 8.360 nan 0.000 0.482 316 D N 0.374 120.760 120.400 -0.024 0.000 2.277 316 D HA -0.035 4.606 4.640 0.001 0.000 0.208 316 D C 0.411 176.700 176.300 -0.018 0.000 0.962 316 D CA 0.387 54.373 54.000 -0.023 0.000 0.865 316 D CB 0.240 41.016 40.800 -0.039 0.000 0.939 316 D HN 0.228 nan 8.370 nan 0.000 0.510 317 L N 1.384 122.580 121.223 -0.045 0.000 2.455 317 L HA 0.189 4.530 4.340 0.001 0.000 0.272 317 L C 1.356 178.312 176.870 0.144 0.000 1.174 317 L CA -0.431 54.414 54.840 0.008 0.000 0.869 317 L CB 0.795 42.744 42.059 -0.183 0.000 1.130 317 L HN -0.117 nan 8.230 nan 0.000 0.474 318 G N 2.791 111.673 108.800 0.137 0.000 2.572 318 G HA2 0.449 4.410 3.960 0.001 0.000 0.261 318 G HA3 0.449 4.410 3.960 0.001 0.000 0.261 318 G C -0.673 174.337 174.900 0.184 0.000 1.197 318 G CA -0.320 44.859 45.100 0.132 0.000 0.870 318 G HN 0.662 nan 8.290 nan 0.000 0.548 319 Q N -1.298 118.568 119.800 0.110 0.000 2.456 319 Q HA 0.645 4.986 4.340 0.001 0.000 0.284 319 Q C -0.752 175.262 176.000 0.023 0.000 1.061 319 Q CA -0.865 54.968 55.803 0.049 0.000 0.799 319 Q CB 2.596 31.332 28.738 -0.003 0.000 1.445 319 Q HN 0.866 nan 8.270 nan 0.000 0.411 320 A N 0.432 123.250 122.820 -0.004 0.000 2.588 320 A HA 0.422 4.743 4.320 0.001 0.000 0.290 320 A C -0.357 177.214 177.584 -0.021 0.000 1.136 320 A CA -0.573 51.464 52.037 -0.000 0.000 0.681 320 A CB 1.535 20.548 19.000 0.022 0.000 1.282 320 A HN 0.716 nan 8.150 nan 0.000 0.421 321 K N -0.641 119.750 120.400 -0.015 0.000 2.103 321 K HA 0.016 4.337 4.320 0.001 0.000 0.204 321 K C 0.716 177.304 176.600 -0.020 0.000 1.052 321 K CA 1.428 57.703 56.287 -0.021 0.000 0.945 321 K CB 0.066 32.557 32.500 -0.015 0.000 0.722 321 K HN 0.573 nan 8.250 nan 0.000 0.443 322 R N -0.519 119.974 120.500 -0.011 0.000 2.663 322 R HA 0.276 4.617 4.340 0.001 0.000 0.267 322 R C -2.043 174.257 176.300 -0.000 0.000 1.038 322 R CA -0.683 55.411 56.100 -0.010 0.000 0.886 322 R CB 1.919 32.209 30.300 -0.015 0.000 1.249 322 R HN -0.110 nan 8.270 nan 0.000 0.463 323 V N 3.159 123.074 119.914 0.001 0.000 2.656 323 V HA 0.583 4.704 4.120 0.001 0.000 0.307 323 V C -0.772 175.308 176.094 -0.024 0.000 1.051 323 V CA -0.745 61.557 62.300 0.004 0.000 0.893 323 V CB 2.031 33.878 31.823 0.040 0.000 0.999 323 V HN 0.514 nan 8.190 nan 0.000 0.426 324 V N 5.627 125.513 119.914 -0.047 0.000 2.588 324 V HA 0.618 4.739 4.120 0.001 0.000 0.304 324 V C -0.543 175.498 176.094 -0.088 0.000 1.042 324 V CA -0.421 61.840 62.300 -0.066 0.000 0.877 324 V CB 1.932 33.718 31.823 -0.062 0.000 0.996 324 V HN 0.719 nan 8.190 nan 0.000 0.425 325 I N 4.346 124.874 120.570 -0.068 0.000 2.582 325 I HA 0.542 4.713 4.170 0.001 0.000 0.292 325 I C -0.455 175.672 176.117 0.016 0.000 1.066 325 I CA -0.508 60.764 61.300 -0.048 0.000 1.053 325 I CB 2.354 40.370 38.000 0.026 0.000 1.241 325 I HN 0.865 nan 8.210 nan 0.000 0.421 326 N N 3.837 122.468 118.700 -0.114 0.000 3.002 326 N HA 0.353 5.094 4.740 0.001 0.000 0.331 326 N C 0.202 175.174 175.510 -0.898 0.000 1.384 326 N CA -0.989 51.901 53.050 -0.268 0.000 0.780 326 N CB 0.764 39.145 38.487 -0.176 0.000 1.492 326 N HN 0.401 nan 8.380 nan 0.000 0.608 327 K N -1.284 118.429 120.400 -1.145 0.000 2.442 327 K HA -0.024 4.297 4.320 0.001 0.000 0.198 327 K C -0.468 175.851 176.600 -0.468 0.000 1.042 327 K CA 1.117 56.743 56.287 -1.101 0.000 0.958 327 K CB -0.086 32.048 32.500 -0.611 0.000 0.766 327 K HN 0.550 nan 8.250 nan 0.000 0.474 328 D N -0.573 119.630 120.400 -0.327 0.000 2.453 328 D HA 0.006 4.647 4.640 0.001 0.000 0.256 328 D C -0.132 176.074 176.300 -0.157 0.000 1.152 328 D CA 0.295 54.188 54.000 -0.178 0.000 0.818 328 D CB 1.297 42.022 40.800 -0.125 0.000 1.259 328 D HN 0.209 nan 8.370 nan 0.000 0.531 329 T N -1.132 113.293 114.554 -0.214 0.000 2.900 329 T HA 0.610 4.960 4.350 0.001 0.000 0.303 329 T C -0.619 173.869 174.700 -0.353 0.000 1.142 329 T CA -0.496 61.452 62.100 -0.253 0.000 1.007 329 T CB 2.648 71.405 68.868 -0.185 0.000 1.156 329 T HN -0.290 nan 8.240 nan 0.000 0.490 330 T N 2.012 116.209 114.554 -0.595 0.000 2.879 330 T HA 0.619 4.970 4.350 0.001 0.000 0.290 330 T C -0.720 173.649 174.700 -0.551 0.000 0.993 330 T CA -0.590 61.114 62.100 -0.660 0.000 0.975 330 T CB 1.717 69.914 68.868 -1.118 0.000 0.981 330 T HN 0.805 nan 8.240 nan 0.000 0.439 331 T N 3.797 118.190 114.554 -0.268 0.000 2.779 331 T HA 0.551 4.902 4.350 0.001 0.000 0.280 331 T C 0.134 174.798 174.700 -0.059 0.000 0.987 331 T CA -0.503 61.516 62.100 -0.136 0.000 0.966 331 T CB 0.465 69.279 68.868 -0.090 0.000 0.933 331 T HN 0.426 nan 8.240 nan 0.000 0.442 332 I N 4.065 124.642 120.570 0.012 0.000 2.331 332 I HA 0.419 4.590 4.170 0.001 0.000 0.292 332 I C -0.208 175.926 176.117 0.028 0.000 0.998 332 I CA -0.644 60.687 61.300 0.051 0.000 1.267 332 I CB 1.011 39.081 38.000 0.116 0.000 1.386 332 I HN 0.458 nan 8.210 nan 0.000 0.476 333 I N 5.850 126.430 120.570 0.016 0.000 2.382 333 I HA 0.241 4.412 4.170 0.001 0.000 0.285 333 I C -0.732 175.390 176.117 0.008 0.000 1.007 333 I CA -0.414 60.890 61.300 0.007 0.000 1.142 333 I CB 1.235 39.233 38.000 -0.004 0.000 1.289 333 I HN 0.620 nan 8.210 nan 0.000 0.453 334 D N 5.178 125.584 120.400 0.010 0.000 4.161 334 D HA -0.110 4.531 4.640 0.001 0.000 0.246 334 D C -0.090 176.216 176.300 0.010 0.000 1.064 334 D CA 0.820 54.824 54.000 0.007 0.000 1.187 334 D CB -0.197 40.603 40.800 0.000 0.000 0.871 334 D HN 0.802 nan 8.370 nan 0.000 0.413 335 G N 1.676 110.485 108.800 0.016 0.000 2.353 335 G HA2 0.447 4.407 3.960 0.001 0.000 0.284 335 G HA3 0.447 4.407 3.960 0.001 0.000 0.284 335 G C 1.315 176.224 174.900 0.016 0.000 1.172 335 G CA -0.398 44.715 45.100 0.021 0.000 0.854 335 G HN 0.413 nan 8.290 nan 0.000 0.485 336 V N 2.925 122.849 119.914 0.017 0.000 3.141 336 V HA 0.025 4.145 4.120 0.001 0.000 0.265 336 V C 2.138 178.242 176.094 0.018 0.000 1.126 336 V CA 1.133 63.442 62.300 0.014 0.000 1.141 336 V CB -0.903 30.928 31.823 0.013 0.000 0.743 336 V HN 0.771 nan 8.190 nan 0.000 0.492 337 G N 0.290 109.103 108.800 0.021 0.000 2.554 337 G HA2 0.150 4.111 3.960 0.001 0.000 0.238 337 G HA3 0.150 4.111 3.960 0.001 0.000 0.238 337 G C -0.308 174.599 174.900 0.013 0.000 1.259 337 G CA -0.370 44.741 45.100 0.019 0.000 0.843 337 G HN 0.465 nan 8.290 nan 0.000 0.582 338 E N 0.474 120.681 120.200 0.012 0.000 2.614 338 E HA 0.035 4.386 4.350 0.001 0.000 0.245 338 E C 1.028 177.631 176.600 0.006 0.000 1.039 338 E CA 0.154 56.559 56.400 0.008 0.000 0.948 338 E CB 0.927 30.632 29.700 0.007 0.000 0.937 338 E HN 0.625 nan 8.360 nan 0.000 0.498 339 E N 3.423 123.626 120.200 0.006 0.000 2.153 339 E HA -0.175 4.176 4.350 0.001 0.000 0.194 339 E C 1.756 178.358 176.600 0.003 0.000 0.988 339 E CA 1.406 57.809 56.400 0.005 0.000 0.811 339 E CB -0.054 29.649 29.700 0.004 0.000 0.746 339 E HN 0.592 nan 8.360 nan 0.000 0.466 340 A N 0.414 123.236 122.820 0.003 0.000 1.933 340 A HA -0.056 4.265 4.320 0.001 0.000 0.218 340 A C 2.352 179.937 177.584 0.001 0.000 1.175 340 A CA 1.859 53.897 52.037 0.002 0.000 0.628 340 A CB -0.741 18.260 19.000 0.002 0.000 0.814 340 A HN 0.336 nan 8.150 nan 0.000 0.444 341 A N -0.222 122.599 122.820 0.001 0.000 1.968 341 A HA 0.043 4.364 4.320 0.001 0.000 0.217 341 A C 2.070 179.653 177.584 -0.001 0.000 1.169 341 A CA 1.221 53.258 52.037 -0.000 0.000 0.638 341 A CB -0.506 18.495 19.000 0.001 0.000 0.812 341 A HN 0.482 nan 8.150 nan 0.000 0.446 342 I N -0.467 120.103 120.570 0.001 0.000 2.142 342 I HA -0.327 3.844 4.170 0.001 0.000 0.240 342 I C 2.812 178.928 176.117 -0.001 0.000 1.078 342 I CA 1.618 62.918 61.300 0.000 0.000 1.343 342 I CB -0.465 37.537 38.000 0.003 0.000 1.046 342 I HN 0.417 nan 8.210 nan 0.000 0.405 343 Q N 0.443 120.244 119.800 0.000 0.000 2.084 343 Q HA -0.148 4.193 4.340 0.001 0.000 0.202 343 Q C 2.373 178.372 176.000 -0.002 0.000 0.978 343 Q CA 1.615 57.417 55.803 -0.000 0.000 0.844 343 Q CB -0.440 28.299 28.738 0.001 0.000 0.898 343 Q HN 0.661 nan 8.270 nan 0.000 0.426 344 G N 1.169 109.967 108.800 -0.002 0.000 2.418 344 G HA2 -0.276 3.685 3.960 0.001 0.000 0.217 344 G HA3 -0.276 3.685 3.960 0.001 0.000 0.217 344 G C 1.497 176.394 174.900 -0.006 0.000 1.158 344 G CA 0.391 45.489 45.100 -0.003 0.000 0.771 344 G HN 0.096 nan 8.290 nan 0.000 0.545 345 R N 0.454 120.950 120.500 -0.007 0.000 2.073 345 R HA -0.035 4.306 4.340 0.001 0.000 0.234 345 R C 2.630 178.924 176.300 -0.011 0.000 1.134 345 R CA 1.484 57.578 56.100 -0.010 0.000 0.952 345 R CB -0.891 29.402 30.300 -0.011 0.000 0.850 345 R HN 0.281 nan 8.270 nan 0.000 0.433 346 V N 1.339 121.248 119.914 -0.008 0.000 2.427 346 V HA -0.191 3.930 4.120 0.001 0.000 0.248 346 V C 2.593 178.683 176.094 -0.007 0.000 1.051 346 V CA 1.684 63.980 62.300 -0.007 0.000 1.048 346 V CB -0.820 31.000 31.823 -0.003 0.000 0.666 346 V HN 0.446 nan 8.190 nan 0.000 0.456 347 A N -0.926 121.891 122.820 -0.005 0.000 1.933 347 A HA -0.298 4.022 4.320 0.001 0.000 0.218 347 A C 2.254 179.834 177.584 -0.007 0.000 1.175 347 A CA 2.007 54.042 52.037 -0.005 0.000 0.628 347 A CB -0.508 18.490 19.000 -0.003 0.000 0.814 347 A HN 0.571 nan 8.150 nan 0.000 0.444 348 Q N -0.304 119.491 119.800 -0.009 0.000 2.124 348 Q HA -0.145 4.196 4.340 0.001 0.000 0.202 348 Q C 1.981 177.972 176.000 -0.015 0.000 0.977 348 Q CA 1.634 57.430 55.803 -0.012 0.000 0.850 348 Q CB -0.228 28.502 28.738 -0.014 0.000 0.901 348 Q HN 0.766 nan 8.270 nan 0.000 0.429 349 I N -0.035 120.525 120.570 -0.016 0.000 2.252 349 I HA -0.274 3.897 4.170 0.001 0.000 0.245 349 I C 2.692 178.800 176.117 -0.015 0.000 1.102 349 I CA 1.068 62.356 61.300 -0.020 0.000 1.385 349 I CB -0.419 37.568 38.000 -0.021 0.000 1.064 349 I HN 0.173 nan 8.210 nan 0.000 0.414 350 R N 0.847 121.341 120.500 -0.010 0.000 2.105 350 R HA -0.238 4.103 4.340 0.001 0.000 0.239 350 R C 2.466 178.763 176.300 -0.005 0.000 1.135 350 R CA 1.622 57.718 56.100 -0.005 0.000 0.967 350 R CB -0.253 30.046 30.300 -0.003 0.000 0.861 350 R HN 0.381 nan 8.270 nan 0.000 0.442 351 Q N 0.786 120.582 119.800 -0.007 0.000 2.079 351 Q HA -0.216 4.125 4.340 0.001 0.000 0.200 351 Q C 1.726 177.721 176.000 -0.009 0.000 0.974 351 Q CA 1.803 57.602 55.803 -0.006 0.000 0.840 351 Q CB -0.042 28.693 28.738 -0.006 0.000 0.898 351 Q HN 0.524 nan 8.270 nan 0.000 0.430 352 Q N -0.081 119.711 119.800 -0.013 0.000 2.291 352 Q HA -0.059 4.282 4.340 0.001 0.000 0.206 352 Q C 2.105 178.094 176.000 -0.018 0.000 0.976 352 Q CA 1.066 56.858 55.803 -0.018 0.000 0.875 352 Q CB 0.022 28.744 28.738 -0.026 0.000 0.927 352 Q HN 0.453 nan 8.270 nan 0.000 0.450 353 I N 0.068 120.630 120.570 -0.014 0.000 2.333 353 I HA -0.181 3.990 4.170 0.001 0.000 0.246 353 I C 2.347 178.462 176.117 -0.003 0.000 1.106 353 I CA 0.689 61.983 61.300 -0.009 0.000 1.411 353 I CB -0.116 37.881 38.000 -0.005 0.000 1.082 353 I HN 0.129 nan 8.210 nan 0.000 0.420 354 E N 1.551 121.750 120.200 -0.001 0.000 2.110 354 E HA -0.207 4.143 4.350 0.001 0.000 0.193 354 E C 1.013 177.615 176.600 0.002 0.000 0.988 354 E CA 1.220 57.621 56.400 0.002 0.000 0.804 354 E CB 0.062 29.763 29.700 0.002 0.000 0.745 354 E HN 0.696 nan 8.360 nan 0.000 0.458 355 E N -0.725 119.475 120.200 -0.001 0.000 2.989 355 E HA 0.484 4.835 4.350 0.001 0.000 0.207 355 E C -0.277 176.322 176.600 -0.002 0.000 0.989 355 E CA -0.306 56.093 56.400 -0.000 0.000 1.186 355 E CB 0.653 30.353 29.700 -0.000 0.000 1.141 355 E HN -0.002 nan 8.360 nan 0.000 0.454 356 A N 1.090 123.908 122.820 -0.004 0.000 2.498 356 A HA 0.132 4.453 4.320 0.001 0.000 0.239 356 A C 1.380 178.964 177.584 -0.000 0.000 1.068 356 A CA 0.345 52.377 52.037 -0.007 0.000 0.766 356 A CB 0.226 19.221 19.000 -0.009 0.000 1.003 356 A HN 0.443 nan 8.150 nan 0.000 0.497 357 T N -0.833 113.722 114.554 0.000 0.000 3.118 357 T HA 0.289 4.640 4.350 0.001 0.000 0.260 357 T C 0.571 175.283 174.700 0.021 0.000 1.139 357 T CA 0.666 62.771 62.100 0.009 0.000 1.085 357 T CB -0.795 68.079 68.868 0.010 0.000 0.934 357 T HN 1.724 nan 8.240 nan 0.000 0.518 358 S N -0.840 114.875 115.700 0.025 0.000 2.627 358 S HA 0.290 4.761 4.470 0.001 0.000 0.268 358 S C -0.598 174.031 174.600 0.048 0.000 1.130 358 S CA -0.806 57.421 58.200 0.045 0.000 0.819 358 S CB 0.892 64.143 63.200 0.085 0.000 1.100 358 S HN -0.061 nan 8.310 nan 0.000 0.465 359 D N 0.061 120.498 120.400 0.062 0.000 2.219 359 D HA -0.066 4.574 4.640 0.001 0.000 0.205 359 D C 1.274 177.646 176.300 0.119 0.000 0.970 359 D CA 1.354 55.393 54.000 0.065 0.000 0.851 359 D CB -0.204 40.624 40.800 0.047 0.000 0.943 359 D HN 0.595 nan 8.370 nan 0.000 0.488 360 Y N 2.260 122.569 120.300 0.014 0.000 2.352 360 Y HA -0.130 4.421 4.550 0.002 0.000 0.292 360 Y C 1.622 177.546 175.900 0.040 0.000 1.136 360 Y CA 0.978 59.094 58.100 0.028 0.000 1.227 360 Y CB -0.032 38.442 38.460 0.024 0.000 0.991 360 Y HN -0.137 nan 8.280 nan 0.000 0.545 361 D N -0.209 120.128 120.400 -0.105 0.000 2.123 361 D HA -0.129 4.512 4.640 0.001 0.000 0.200 361 D C 2.164 178.405 176.300 -0.097 0.000 0.976 361 D CA 1.094 55.002 54.000 -0.153 0.000 0.831 361 D CB -0.145 40.613 40.800 -0.071 0.000 0.974 361 D HN 0.395 nan 8.370 nan 0.000 0.469 362 R N 1.009 121.489 120.500 -0.034 0.000 2.091 362 R HA -0.129 4.212 4.340 0.001 0.000 0.238 362 R C 2.243 178.537 176.300 -0.010 0.000 1.136 362 R CA 1.054 57.146 56.100 -0.013 0.000 0.959 362 R CB -0.143 30.163 30.300 0.010 0.000 0.856 362 R HN 0.349 nan 8.270 nan 0.000 0.437 363 E N 0.985 121.186 120.200 0.001 0.000 2.007 363 E HA -0.236 4.115 4.350 0.001 0.000 0.194 363 E C 1.906 178.483 176.600 -0.037 0.000 0.999 363 E CA 1.634 58.046 56.400 0.020 0.000 0.811 363 E CB -0.126 29.642 29.700 0.113 0.000 0.762 363 E HN 0.362 nan 8.360 nan 0.000 0.450 364 K N 0.743 121.051 120.400 -0.153 0.000 2.442 364 K HA -0.096 4.224 4.320 0.001 0.000 0.198 364 K C 1.737 178.273 176.600 -0.107 0.000 1.042 364 K CA 0.827 57.021 56.287 -0.154 0.000 0.958 364 K CB 0.184 32.498 32.500 -0.310 0.000 0.766 364 K HN 0.074 nan 8.250 nan 0.000 0.474 365 L N 1.808 122.979 121.223 -0.085 0.000 2.253 365 L HA -0.039 4.302 4.340 0.001 0.000 0.205 365 L C 2.798 179.650 176.870 -0.030 0.000 1.078 365 L CA 1.466 56.272 54.840 -0.057 0.000 0.805 365 L CB -1.085 40.943 42.059 -0.051 0.000 0.963 365 L HN 0.467 nan 8.230 nan 0.000 0.459 366 Q N 0.257 120.048 119.800 -0.016 0.000 2.124 366 Q HA -0.222 4.119 4.340 0.001 0.000 0.202 366 Q C 1.521 177.524 176.000 0.005 0.000 0.977 366 Q CA 1.671 57.475 55.803 0.002 0.000 0.850 366 Q CB -0.399 28.349 28.738 0.016 0.000 0.901 366 Q HN 0.453 nan 8.270 nan 0.000 0.429 367 E N 0.706 120.909 120.200 0.006 0.000 2.187 367 E HA -0.201 4.149 4.350 0.001 0.000 0.199 367 E C 2.052 178.654 176.600 0.004 0.000 1.004 367 E CA 1.441 57.849 56.400 0.013 0.000 0.813 367 E CB -0.026 29.684 29.700 0.017 0.000 0.736 367 E HN 0.435 nan 8.360 nan 0.000 0.468 368 R N 0.030 120.522 120.500 -0.012 0.000 2.246 368 R HA -0.021 4.320 4.340 0.001 0.000 0.199 368 R C 2.444 178.739 176.300 -0.010 0.000 0.984 368 R CA 0.778 56.867 56.100 -0.018 0.000 1.015 368 R CB 0.204 30.480 30.300 -0.040 0.000 0.930 368 R HN 0.159 nan 8.270 nan 0.000 0.475 369 V N -2.737 117.174 119.914 -0.005 0.000 2.725 369 V HA 0.179 4.299 4.120 0.001 0.000 0.247 369 V C 2.219 178.317 176.094 0.006 0.000 1.058 369 V CA 1.139 63.439 62.300 -0.000 0.000 1.080 369 V CB -0.331 31.492 31.823 0.000 0.000 0.713 369 V HN 0.132 nan 8.190 nan 0.000 0.465 370 A N 1.318 124.143 122.820 0.010 0.000 1.873 370 A HA -0.243 4.078 4.320 0.001 0.000 0.218 370 A C 2.216 179.809 177.584 0.016 0.000 1.193 370 A CA 2.467 54.512 52.037 0.014 0.000 0.629 370 A CB -0.700 18.311 19.000 0.017 0.000 0.826 370 A HN 0.625 nan 8.150 nan 0.000 0.447 371 K N -0.994 119.417 120.400 0.019 0.000 2.555 371 K HA 0.243 4.564 4.320 0.001 0.000 0.193 371 K C 0.858 177.473 176.600 0.026 0.000 1.032 371 K CA 0.485 56.789 56.287 0.028 0.000 1.004 371 K CB -0.050 32.474 32.500 0.042 0.000 0.804 371 K HN 0.512 nan 8.250 nan 0.000 0.496 372 L N -1.860 119.373 121.223 0.016 0.000 2.815 372 L HA 0.218 4.559 4.340 0.001 0.000 0.241 372 L C 1.334 178.210 176.870 0.010 0.000 1.047 372 L CA 0.035 54.883 54.840 0.013 0.000 0.939 372 L CB 0.022 42.085 42.059 0.007 0.000 1.490 372 L HN 0.031 nan 8.230 nan 0.000 0.510 373 A N 0.476 123.300 122.820 0.008 0.000 3.754 373 A HA 0.387 4.708 4.320 0.001 0.000 0.165 373 A C 1.757 179.344 177.584 0.006 0.000 1.775 373 A CA 0.715 52.756 52.037 0.006 0.000 1.457 373 A CB -1.334 17.669 19.000 0.005 0.000 1.597 373 A HN 0.198 nan 8.150 nan 0.000 0.658 374 G N -1.690 107.113 108.800 0.006 0.000 2.470 374 G HA2 0.403 4.363 3.960 0.001 0.000 0.220 374 G HA3 0.403 4.363 3.960 0.001 0.000 0.220 374 G C 0.858 175.761 174.900 0.005 0.000 1.121 374 G CA 1.276 46.379 45.100 0.005 0.000 0.766 374 G HN 2.074 nan 8.290 nan 0.000 0.553 375 G N -2.355 106.449 108.800 0.006 0.000 2.347 375 G HA2 0.267 4.228 3.960 0.001 0.000 0.477 375 G HA3 0.267 4.228 3.960 0.001 0.000 0.477 375 G C -1.310 173.594 174.900 0.007 0.000 1.349 375 G CA -0.442 44.662 45.100 0.006 0.000 1.000 375 G HN 0.635 nan 8.290 nan 0.000 0.605 376 V N 0.367 120.285 119.914 0.006 0.000 2.472 376 V HA 0.843 4.964 4.120 0.001 0.000 0.290 376 V C 0.795 176.890 176.094 0.002 0.000 1.037 376 V CA 0.321 62.625 62.300 0.007 0.000 0.908 376 V CB 0.983 32.811 31.823 0.008 0.000 0.985 376 V HN 2.056 nan 8.190 nan 0.000 0.454 377 A N 4.063 126.884 122.820 0.002 0.000 2.498 377 A HA 0.943 5.264 4.320 0.001 0.000 0.298 377 A C -1.318 176.265 177.584 -0.001 0.000 1.075 377 A CA -0.600 51.436 52.037 -0.001 0.000 0.714 377 A CB 2.239 21.237 19.000 -0.003 0.000 1.299 377 A HN 0.708 nan 8.150 nan 0.000 0.407 378 V N 1.907 121.819 119.914 -0.004 0.000 2.623 378 V HA 0.362 4.483 4.120 0.001 0.000 0.304 378 V C -0.651 175.437 176.094 -0.009 0.000 1.054 378 V CA -0.130 62.167 62.300 -0.005 0.000 0.882 378 V CB 1.628 33.449 31.823 -0.003 0.000 1.002 378 V HN 0.738 nan 8.190 nan 0.000 0.424 379 I N 4.309 124.871 120.570 -0.012 0.000 2.269 379 I HA 0.273 4.444 4.170 0.001 0.000 0.293 379 I C 0.433 176.542 176.117 -0.013 0.000 1.106 379 I CA -0.279 61.012 61.300 -0.015 0.000 1.248 379 I CB 0.496 38.483 38.000 -0.022 0.000 1.444 379 I HN 0.537 nan 8.210 nan 0.000 0.497 380 K N 5.445 125.838 120.400 -0.011 0.000 2.315 380 K HA 0.246 4.567 4.320 0.001 0.000 0.291 380 K C -0.399 176.194 176.600 -0.010 0.000 1.074 380 K CA -0.345 55.936 56.287 -0.009 0.000 0.936 380 K CB 0.749 33.244 32.500 -0.009 0.000 1.049 380 K HN 0.340 nan 8.250 nan 0.000 0.471 381 V N 2.756 122.664 119.914 -0.010 0.000 2.585 381 V HA 0.089 4.210 4.120 0.001 0.000 0.296 381 V C 0.971 177.060 176.094 -0.009 0.000 1.035 381 V CA -0.194 62.100 62.300 -0.011 0.000 1.084 381 V CB 0.983 32.800 31.823 -0.011 0.000 0.953 381 V HN 0.879 nan 8.190 nan 0.000 0.483 382 G N 3.155 111.949 108.800 -0.010 0.000 2.335 382 G HA2 0.738 4.699 3.960 0.001 0.000 0.316 382 G HA3 0.738 4.699 3.960 0.001 0.000 0.316 382 G C -0.474 174.421 174.900 -0.008 0.000 1.129 382 G CA 0.186 45.281 45.100 -0.008 0.000 0.899 382 G HN 1.232 nan 8.290 nan 0.000 0.448 383 A N 1.016 123.833 122.820 -0.006 0.000 2.610 383 A HA 0.794 5.115 4.320 0.001 0.000 0.291 383 A C 0.615 178.196 177.584 -0.004 0.000 1.086 383 A CA 0.207 52.240 52.037 -0.005 0.000 0.677 383 A CB 0.881 19.878 19.000 -0.005 0.000 1.278 383 A HN 1.680 nan 8.150 nan 0.000 0.414 384 A N -0.157 122.661 122.820 -0.004 0.000 2.072 384 A HA 0.468 4.789 4.320 0.001 0.000 0.216 384 A C 1.168 178.750 177.584 -0.003 0.000 1.156 384 A CA 2.055 54.090 52.037 -0.004 0.000 0.701 384 A CB -0.378 18.619 19.000 -0.004 0.000 0.816 384 A HN 2.009 nan 8.150 nan 0.000 0.458 385 T N -4.798 109.755 114.554 -0.002 0.000 2.865 385 T HA 0.488 4.839 4.350 0.001 0.000 0.294 385 T C 0.331 175.031 174.700 0.000 0.000 1.119 385 T CA 0.026 62.126 62.100 -0.001 0.000 1.007 385 T CB 1.800 70.667 68.868 -0.001 0.000 1.225 385 T HN 0.126 nan 8.240 nan 0.000 0.515 386 E N -0.137 120.064 120.200 0.002 0.000 2.170 386 E HA -0.062 4.289 4.350 0.001 0.000 0.191 386 E C 2.127 178.729 176.600 0.004 0.000 0.981 386 E CA 1.128 57.529 56.400 0.003 0.000 0.830 386 E CB -0.088 29.615 29.700 0.005 0.000 0.775 386 E HN 0.585 nan 8.360 nan 0.000 0.470 387 V N -0.534 119.382 119.914 0.003 0.000 2.407 387 V HA -0.227 3.894 4.120 0.001 0.000 0.248 387 V C 2.143 178.238 176.094 0.002 0.000 1.055 387 V CA 2.265 64.567 62.300 0.003 0.000 1.049 387 V CB -0.644 31.180 31.823 0.001 0.000 0.662 387 V HN 0.238 nan 8.190 nan 0.000 0.455 388 E N -0.255 119.945 120.200 0.000 0.000 2.076 388 E HA -0.197 4.154 4.350 0.001 0.000 0.190 388 E C 2.126 178.725 176.600 -0.001 0.000 0.979 388 E CA 1.231 57.631 56.400 -0.001 0.000 0.807 388 E CB -0.168 29.530 29.700 -0.002 0.000 0.761 388 E HN 0.539 nan 8.360 nan 0.000 0.454 389 M N 1.431 121.031 119.600 -0.001 0.000 2.143 389 M HA -0.226 4.255 4.480 0.001 0.000 0.258 389 M C 1.701 178.002 176.300 0.001 0.000 1.071 389 M CA 1.801 57.100 55.300 -0.001 0.000 1.088 389 M CB 0.002 32.602 32.600 0.000 0.000 1.360 389 M HN -0.065 nan 8.290 nan 0.000 0.404 390 K N -0.556 119.846 120.400 0.003 0.000 2.057 390 K HA -0.197 4.124 4.320 0.001 0.000 0.206 390 K C 1.853 178.456 176.600 0.005 0.000 1.050 390 K CA 1.769 58.059 56.287 0.006 0.000 0.935 390 K CB -0.256 32.249 32.500 0.008 0.000 0.715 390 K HN 0.606 nan 8.250 nan 0.000 0.439 391 E N 1.349 121.551 120.200 0.003 0.000 2.112 391 E HA -0.180 4.171 4.350 0.001 0.000 0.190 391 E C 1.848 178.448 176.600 -0.001 0.000 0.979 391 E CA 1.180 57.581 56.400 0.003 0.000 0.814 391 E CB -0.033 29.668 29.700 0.002 0.000 0.762 391 E HN -0.027 nan 8.360 nan 0.000 0.460 392 K N 1.525 121.923 120.400 -0.003 0.000 2.026 392 K HA -0.147 4.174 4.320 0.001 0.000 0.208 392 K C 2.109 178.703 176.600 -0.010 0.000 1.048 392 K CA 2.066 58.349 56.287 -0.007 0.000 0.929 392 K CB -0.273 32.222 32.500 -0.007 0.000 0.713 392 K HN 0.189 nan 8.250 nan 0.000 0.439 393 K N -0.285 120.111 120.400 -0.007 0.000 2.032 393 K HA -0.121 4.200 4.320 0.001 0.000 0.209 393 K C 1.967 178.561 176.600 -0.010 0.000 1.048 393 K CA 1.435 57.717 56.287 -0.009 0.000 0.927 393 K CB -0.405 32.093 32.500 -0.003 0.000 0.712 393 K HN 0.212 nan 8.250 nan 0.000 0.441 394 A N 1.579 124.400 122.820 0.001 0.000 1.892 394 A HA -0.211 4.110 4.320 0.001 0.000 0.218 394 A C 2.122 179.706 177.584 0.001 0.000 1.188 394 A CA 1.748 53.791 52.037 0.010 0.000 0.631 394 A CB -0.571 18.440 19.000 0.017 0.000 0.822 394 A HN 0.367 nan 8.150 nan 0.000 0.447 395 R N -0.913 119.584 120.500 -0.005 0.000 2.081 395 R HA -0.071 4.270 4.340 0.001 0.000 0.235 395 R C 2.050 178.332 176.300 -0.030 0.000 1.131 395 R CA 1.396 57.489 56.100 -0.011 0.000 0.960 395 R CB -0.558 29.736 30.300 -0.010 0.000 0.856 395 R HN 0.409 nan 8.270 nan 0.000 0.436 396 V N 1.315 121.206 119.914 -0.038 0.000 2.343 396 V HA -0.232 3.889 4.120 0.001 0.000 0.247 396 V C 1.999 178.028 176.094 -0.110 0.000 1.051 396 V CA 1.793 64.059 62.300 -0.058 0.000 1.036 396 V CB -0.369 31.426 31.823 -0.046 0.000 0.654 396 V HN 0.356 nan 8.190 nan 0.000 0.451 397 E N -0.091 120.034 120.200 -0.125 0.000 2.015 397 E HA -0.224 4.127 4.350 0.001 0.000 0.191 397 E C 1.995 178.358 176.600 -0.395 0.000 0.991 397 E CA 1.576 57.816 56.400 -0.266 0.000 0.802 397 E CB -0.212 29.423 29.700 -0.107 0.000 0.759 397 E HN 0.541 nan 8.360 nan 0.000 0.447 398 D N 0.178 120.523 120.400 -0.093 0.000 2.178 398 D HA -0.086 4.555 4.640 0.001 0.000 0.202 398 D C 1.701 178.002 176.300 0.001 0.000 0.974 398 D CA 1.101 55.132 54.000 0.051 0.000 0.841 398 D CB -0.117 40.737 40.800 0.090 0.000 0.953 398 D HN 0.175 nan 8.370 nan 0.000 0.478 399 A N 0.532 123.326 122.820 -0.043 0.000 1.969 399 A HA -0.073 4.248 4.320 0.001 0.000 0.218 399 A C 2.008 179.562 177.584 -0.050 0.000 1.169 399 A CA 0.585 52.603 52.037 -0.032 0.000 0.635 399 A CB -0.475 18.506 19.000 -0.032 0.000 0.810 399 A HN 0.264 nan 8.150 nan 0.000 0.445 400 L N -0.671 120.478 121.223 -0.124 0.000 2.072 400 L HA -0.124 4.217 4.340 0.001 0.000 0.205 400 L C 2.257 179.086 176.870 -0.070 0.000 1.079 400 L CA 2.081 56.844 54.840 -0.129 0.000 0.752 400 L CB -1.190 40.751 42.059 -0.198 0.000 0.906 400 L HN 0.485 nan 8.230 nan 0.000 0.436 401 H N 0.210 119.289 119.070 0.015 0.000 2.353 401 H HA -0.030 4.526 4.556 0.001 0.000 0.300 401 H C 2.238 177.576 175.328 0.016 0.000 1.090 401 H CA 1.313 57.371 56.048 0.018 0.000 1.327 401 H CB -0.485 29.290 29.762 0.022 0.000 1.383 401 H HN 0.432 nan 8.280 nan 0.000 0.508 402 A N 0.900 123.793 122.820 0.121 0.000 1.902 402 A HA -0.190 4.131 4.320 0.001 0.000 0.217 402 A C 2.690 180.301 177.584 0.046 0.000 1.181 402 A CA 2.593 54.672 52.037 0.069 0.000 0.623 402 A CB -0.979 18.048 19.000 0.044 0.000 0.818 402 A HN 0.607 nan 8.150 nan 0.000 0.443 403 T N -2.345 112.228 114.554 0.033 0.000 2.737 403 T HA -0.131 4.220 4.350 0.001 0.000 0.265 403 T C 1.991 176.710 174.700 0.031 0.000 1.038 403 T CA 1.026 63.139 62.100 0.022 0.000 1.144 403 T CB -0.362 68.511 68.868 0.008 0.000 0.866 403 T HN 0.344 nan 8.240 nan 0.000 0.434 404 R N 1.783 122.312 120.500 0.047 0.000 2.103 404 R HA 0.045 4.386 4.340 0.001 0.000 0.242 404 R C 2.875 179.206 176.300 0.051 0.000 1.142 404 R CA 1.664 57.798 56.100 0.056 0.000 0.960 404 R CB -1.308 29.047 30.300 0.091 0.000 0.858 404 R HN 0.604 nan 8.270 nan 0.000 0.439 405 A N 0.807 123.662 122.820 0.057 0.000 1.969 405 A HA 0.002 4.323 4.320 0.001 0.000 0.218 405 A C 2.367 179.969 177.584 0.030 0.000 1.169 405 A CA 1.554 53.617 52.037 0.044 0.000 0.635 405 A CB -0.412 18.618 19.000 0.051 0.000 0.810 405 A HN 0.357 nan 8.150 nan 0.000 0.445 406 A N -0.532 122.304 122.820 0.027 0.000 1.898 406 A HA 0.002 4.323 4.320 0.001 0.000 0.216 406 A C 2.127 179.721 177.584 0.016 0.000 1.181 406 A CA 1.662 53.710 52.037 0.018 0.000 0.620 406 A CB -0.878 18.131 19.000 0.015 0.000 0.819 406 A HN 0.385 nan 8.150 nan 0.000 0.442 407 V N 1.135 121.061 119.914 0.019 0.000 2.720 407 V HA -0.235 3.886 4.120 0.001 0.000 0.256 407 V C 2.376 178.479 176.094 0.016 0.000 1.082 407 V CA 2.196 64.506 62.300 0.016 0.000 1.101 407 V CB -0.859 30.974 31.823 0.018 0.000 0.693 407 V HN 0.924 nan 8.190 nan 0.000 0.479 408 E N -0.448 119.763 120.200 0.018 0.000 2.431 408 E HA -0.024 4.327 4.350 0.001 0.000 0.200 408 E C 1.739 178.347 176.600 0.014 0.000 0.995 408 E CA 0.644 57.054 56.400 0.017 0.000 0.915 408 E CB 0.200 29.913 29.700 0.021 0.000 0.930 408 E HN 0.620 nan 8.360 nan 0.000 0.496 409 E N 0.087 120.295 120.200 0.012 0.000 2.665 409 E HA 0.220 4.571 4.350 0.001 0.000 0.225 409 E C 0.307 176.911 176.600 0.006 0.000 0.922 409 E CA 0.381 56.786 56.400 0.008 0.000 1.242 409 E CB 1.207 30.911 29.700 0.007 0.000 1.197 409 E HN 0.308 nan 8.360 nan 0.000 0.581 410 G N 0.417 109.221 108.800 0.008 0.000 2.500 410 G HA2 -0.135 3.826 3.960 0.001 0.000 0.209 410 G HA3 -0.135 3.826 3.960 0.001 0.000 0.209 410 G C -0.628 174.276 174.900 0.006 0.000 1.283 410 G CA -0.493 44.611 45.100 0.007 0.000 0.960 410 G HN 0.693 nan 8.290 nan 0.000 0.528 411 V N -2.726 117.191 119.914 0.005 0.000 3.078 411 V HA 1.002 5.123 4.120 0.001 0.000 0.311 411 V C 0.458 176.555 176.094 0.005 0.000 1.138 411 V CA 0.096 62.399 62.300 0.005 0.000 1.007 411 V CB 1.251 33.077 31.823 0.004 0.000 1.045 411 V HN 2.513 nan 8.190 nan 0.000 0.432 412 V N -1.293 118.624 119.914 0.005 0.000 3.181 412 V HA 1.007 5.128 4.120 0.001 0.000 0.308 412 V C 0.393 176.491 176.094 0.007 0.000 1.214 412 V CA -0.747 61.557 62.300 0.007 0.000 1.053 412 V CB 1.287 33.114 31.823 0.006 0.000 1.069 412 V HN 2.190 nan 8.190 nan 0.000 0.441 413 A N 0.922 123.749 122.820 0.012 0.000 2.545 413 A HA 0.620 4.941 4.320 0.001 0.000 0.253 413 A C 0.835 178.425 177.584 0.010 0.000 1.074 413 A CA 0.719 52.764 52.037 0.013 0.000 0.760 413 A CB -0.747 18.269 19.000 0.025 0.000 1.005 413 A HN 1.988 nan 8.150 nan 0.000 0.506 414 G N 0.817 109.617 108.800 0.001 0.000 2.525 414 G HA2 0.532 4.492 3.960 0.001 0.000 0.287 414 G HA3 0.532 4.492 3.960 0.001 0.000 0.287 414 G C 1.133 176.033 174.900 -0.001 0.000 1.350 414 G CA -0.084 45.015 45.100 -0.003 0.000 1.039 414 G HN 2.213 nan 8.290 nan 0.000 0.513 415 G N -2.249 106.550 108.800 -0.003 0.000 2.168 415 G HA2 0.204 4.165 3.960 0.001 0.000 0.257 415 G HA3 0.204 4.165 3.960 0.001 0.000 0.257 415 G C 1.489 176.398 174.900 0.014 0.000 0.997 415 G CA 1.200 46.301 45.100 0.003 0.000 0.708 415 G HN 2.531 nan 8.290 nan 0.000 0.520 416 G N -2.579 106.229 108.800 0.013 0.000 2.179 416 G HA2 -0.168 3.793 3.960 0.001 0.000 0.260 416 G HA3 -0.168 3.793 3.960 0.001 0.000 0.260 416 G C 1.459 176.373 174.900 0.023 0.000 0.977 416 G CA 1.443 46.553 45.100 0.016 0.000 0.641 416 G HN 1.659 nan 8.290 nan 0.000 0.533 417 V N 0.773 120.704 119.914 0.029 0.000 2.427 417 V HA 0.158 4.279 4.120 0.001 0.000 0.248 417 V C 3.045 179.162 176.094 0.038 0.000 1.051 417 V CA 2.866 65.192 62.300 0.043 0.000 1.048 417 V CB -0.521 31.335 31.823 0.055 0.000 0.666 417 V HN 1.139 nan 8.190 nan 0.000 0.456 418 A N -0.357 122.480 122.820 0.028 0.000 1.940 418 A HA -0.210 4.111 4.320 0.001 0.000 0.219 418 A C 2.117 179.711 177.584 0.017 0.000 1.176 418 A CA 2.162 54.213 52.037 0.023 0.000 0.631 418 A CB -0.676 18.333 19.000 0.015 0.000 0.814 418 A HN 0.538 nan 8.150 nan 0.000 0.446 419 L N 0.027 121.258 121.223 0.013 0.000 2.046 419 L HA -0.115 4.226 4.340 0.001 0.000 0.208 419 L C 2.240 179.118 176.870 0.014 0.000 1.077 419 L CA 1.726 56.571 54.840 0.008 0.000 0.747 419 L CB -0.400 41.661 42.059 0.003 0.000 0.896 419 L HN 0.454 nan 8.230 nan 0.000 0.432 420 I N -1.020 119.563 120.570 0.022 0.000 2.286 420 I HA -0.277 3.894 4.170 0.001 0.000 0.248 420 I C 2.460 178.594 176.117 0.027 0.000 1.115 420 I CA 0.647 61.963 61.300 0.027 0.000 1.392 420 I CB -0.442 37.581 38.000 0.038 0.000 1.065 420 I HN 0.253 nan 8.210 nan 0.000 0.418 421 R N 0.758 121.275 120.500 0.030 0.000 2.070 421 R HA -0.119 4.222 4.340 0.001 0.000 0.233 421 R C 2.379 178.690 176.300 0.018 0.000 1.137 421 R CA 1.778 57.895 56.100 0.028 0.000 0.945 421 R CB -1.511 28.808 30.300 0.032 0.000 0.845 421 R HN 0.459 nan 8.270 nan 0.000 0.430 422 V N -1.046 118.877 119.914 0.014 0.000 2.626 422 V HA -0.023 4.098 4.120 0.001 0.000 0.252 422 V C 2.262 178.361 176.094 0.007 0.000 1.067 422 V CA 1.617 63.922 62.300 0.008 0.000 1.081 422 V CB -1.014 30.811 31.823 0.003 0.000 0.686 422 V HN 0.180 nan 8.190 nan 0.000 0.468 423 A N 1.958 124.783 122.820 0.009 0.000 1.858 423 A HA -0.164 4.157 4.320 0.001 0.000 0.216 423 A C 2.650 180.240 177.584 0.009 0.000 1.190 423 A CA 2.722 54.764 52.037 0.008 0.000 0.617 423 A CB -1.200 17.806 19.000 0.010 0.000 0.827 423 A HN 0.971 nan 8.150 nan 0.000 0.443 424 S N 0.080 115.788 115.700 0.012 0.000 2.382 424 S HA -0.191 4.280 4.470 0.001 0.000 0.228 424 S C 1.734 176.340 174.600 0.009 0.000 1.027 424 S CA 1.561 59.767 58.200 0.012 0.000 0.991 424 S CB -0.475 62.734 63.200 0.015 0.000 0.823 424 S HN 0.576 nan 8.310 nan 0.000 0.469 425 K N 0.723 121.128 120.400 0.009 0.000 2.442 425 K HA 0.126 4.446 4.320 0.001 0.000 0.198 425 K C 0.928 177.531 176.600 0.005 0.000 1.044 425 K CA 0.827 57.118 56.287 0.007 0.000 0.948 425 K CB -0.321 32.183 32.500 0.007 0.000 0.762 425 K HN 0.466 nan 8.250 nan 0.000 0.472 426 L N -0.598 120.628 121.223 0.005 0.000 2.910 426 L HA 0.228 4.568 4.340 0.001 0.000 0.252 426 L C 1.709 178.581 176.870 0.004 0.000 1.195 426 L CA -0.327 54.515 54.840 0.004 0.000 1.003 426 L CB 0.287 42.348 42.059 0.004 0.000 1.328 426 L HN 0.019 nan 8.230 nan 0.000 0.540 427 A N 0.244 123.067 122.820 0.004 0.000 1.927 427 A HA -0.233 4.088 4.320 0.001 0.000 0.220 427 A C 1.582 179.168 177.584 0.003 0.000 1.185 427 A CA 2.021 54.060 52.037 0.004 0.000 0.639 427 A CB -0.216 18.786 19.000 0.003 0.000 0.820 427 A HN 0.373 nan 8.150 nan 0.000 0.451 428 D N -0.952 119.450 120.400 0.003 0.000 2.388 428 D HA 0.218 4.859 4.640 0.001 0.000 0.221 428 D C -0.079 176.223 176.300 0.003 0.000 1.133 428 D CA -0.329 53.673 54.000 0.002 0.000 0.831 428 D CB -0.010 40.791 40.800 0.002 0.000 0.962 428 D HN 0.306 nan 8.370 nan 0.000 0.502 429 L N 1.743 122.968 121.223 0.003 0.000 2.490 429 L HA 0.078 4.419 4.340 0.001 0.000 0.274 429 L C 0.107 176.979 176.870 0.004 0.000 1.201 429 L CA 0.585 55.427 54.840 0.003 0.000 0.869 429 L CB 0.201 42.262 42.059 0.004 0.000 1.123 429 L HN -0.191 nan 8.230 nan 0.000 0.484 430 R N 3.160 123.662 120.500 0.004 0.000 2.837 430 R HA 0.676 5.017 4.340 0.001 0.000 0.271 430 R C -0.119 176.184 176.300 0.004 0.000 0.993 430 R CA -0.314 55.788 56.100 0.004 0.000 0.931 430 R CB 1.430 31.732 30.300 0.003 0.000 1.206 430 R HN 0.833 nan 8.270 nan 0.000 0.474 431 G N -0.177 108.626 108.800 0.005 0.000 2.702 431 G HA2 0.196 4.157 3.960 0.001 0.000 0.254 431 G HA3 0.196 4.157 3.960 0.001 0.000 0.254 431 G C 0.237 175.140 174.900 0.005 0.000 1.380 431 G CA -0.170 44.933 45.100 0.005 0.000 1.042 431 G HN 0.431 nan 8.290 nan 0.000 0.557 432 Q N -0.509 119.294 119.800 0.005 0.000 2.089 432 Q HA 0.043 4.384 4.340 0.001 0.000 0.195 432 Q C 0.538 176.541 176.000 0.005 0.000 0.963 432 Q CA 1.006 56.812 55.803 0.005 0.000 0.834 432 Q CB 0.023 28.765 28.738 0.006 0.000 0.906 432 Q HN 0.633 nan 8.270 nan 0.000 0.452 433 N N -1.074 117.629 118.700 0.005 0.000 2.653 433 N HA 0.059 4.799 4.740 0.001 0.000 0.294 433 N C 0.109 175.622 175.510 0.005 0.000 1.305 433 N CA -0.460 52.593 53.050 0.005 0.000 0.827 433 N CB 0.669 39.160 38.487 0.005 0.000 1.415 433 N HN -0.234 nan 8.380 nan 0.000 0.546 434 E N -0.491 119.712 120.200 0.005 0.000 2.106 434 E HA -0.110 4.241 4.350 0.001 0.000 0.192 434 E C 0.264 176.867 176.600 0.006 0.000 0.984 434 E CA 1.468 57.871 56.400 0.005 0.000 0.806 434 E CB -0.263 29.439 29.700 0.004 0.000 0.750 434 E HN 0.661 nan 8.360 nan 0.000 0.458 435 D N -0.136 120.268 120.400 0.006 0.000 2.123 435 D HA -0.186 4.455 4.640 0.001 0.000 0.196 435 D C 1.784 178.089 176.300 0.008 0.000 0.992 435 D CA 1.177 55.182 54.000 0.008 0.000 0.833 435 D CB -0.117 40.688 40.800 0.008 0.000 0.954 435 D HN 0.278 nan 8.370 nan 0.000 0.455 436 Q N -0.149 119.656 119.800 0.008 0.000 2.123 436 Q HA -0.043 4.297 4.340 0.001 0.000 0.199 436 Q C 1.711 177.715 176.000 0.007 0.000 0.966 436 Q CA 0.599 56.407 55.803 0.008 0.000 0.845 436 Q CB 0.038 28.780 28.738 0.008 0.000 0.907 436 Q HN 0.257 nan 8.270 nan 0.000 0.439 437 N N 0.239 118.943 118.700 0.006 0.000 2.104 437 N HA -0.142 4.599 4.740 0.001 0.000 0.190 437 N C 1.865 177.378 175.510 0.006 0.000 1.024 437 N CA 1.142 54.195 53.050 0.006 0.000 0.853 437 N CB -0.351 38.139 38.487 0.005 0.000 1.008 437 N HN 0.054 nan 8.380 nan 0.000 0.424 438 V N 0.921 120.839 119.914 0.007 0.000 2.343 438 V HA -0.153 3.968 4.120 0.001 0.000 0.247 438 V C 2.458 178.557 176.094 0.008 0.000 1.051 438 V CA 2.017 64.322 62.300 0.007 0.000 1.036 438 V CB -1.247 30.581 31.823 0.007 0.000 0.654 438 V HN 0.349 nan 8.190 nan 0.000 0.451 439 G N 0.042 108.847 108.800 0.009 0.000 2.446 439 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 439 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 439 G C 1.579 176.484 174.900 0.009 0.000 1.168 439 G CA 1.206 46.312 45.100 0.010 0.000 0.771 439 G HN 0.484 nan 8.290 nan 0.000 0.551 440 I N 0.226 120.801 120.570 0.008 0.000 2.151 440 I HA -0.159 4.012 4.170 0.001 0.000 0.243 440 I C 2.317 178.438 176.117 0.007 0.000 1.080 440 I CA 1.250 62.554 61.300 0.007 0.000 1.339 440 I CB -0.056 37.948 38.000 0.006 0.000 1.039 440 I HN -0.010 nan 8.210 nan 0.000 0.409 441 K N 0.124 120.528 120.400 0.007 0.000 2.525 441 K HA 0.056 4.377 4.320 0.001 0.000 0.192 441 K C 1.450 178.054 176.600 0.008 0.000 1.029 441 K CA 0.317 56.608 56.287 0.007 0.000 1.029 441 K CB -0.119 32.384 32.500 0.006 0.000 0.814 441 K HN 0.164 nan 8.250 nan 0.000 0.503 442 V N -0.401 119.518 119.914 0.009 0.000 2.492 442 V HA -0.031 4.090 4.120 0.001 0.000 0.241 442 V C 2.039 178.139 176.094 0.009 0.000 1.041 442 V CA 1.501 63.807 62.300 0.010 0.000 1.057 442 V CB -0.252 31.578 31.823 0.011 0.000 0.711 442 V HN 0.279 nan 8.190 nan 0.000 0.468 443 A N 0.333 123.158 122.820 0.009 0.000 1.851 443 A HA -0.181 4.140 4.320 0.001 0.000 0.216 443 A C 2.156 179.743 177.584 0.006 0.000 1.195 443 A CA 1.956 53.998 52.037 0.007 0.000 0.622 443 A CB -0.726 18.277 19.000 0.006 0.000 0.831 443 A HN 0.475 nan 8.150 nan 0.000 0.444 444 L N -1.173 120.054 121.223 0.006 0.000 2.131 444 L HA -0.174 4.167 4.340 0.001 0.000 0.210 444 L C 2.797 179.672 176.870 0.008 0.000 1.092 444 L CA 1.579 56.423 54.840 0.006 0.000 0.759 444 L CB -0.532 41.530 42.059 0.006 0.000 0.903 444 L HN 0.466 nan 8.230 nan 0.000 0.435 445 R N 0.588 121.093 120.500 0.008 0.000 2.066 445 R HA -0.121 4.220 4.340 0.001 0.000 0.232 445 R C 2.283 178.589 176.300 0.010 0.000 1.131 445 R CA 1.379 57.485 56.100 0.009 0.000 0.955 445 R CB -0.187 30.119 30.300 0.009 0.000 0.851 445 R HN 0.316 nan 8.270 nan 0.000 0.432 446 A N 0.513 123.339 122.820 0.010 0.000 2.121 446 A HA -0.079 4.242 4.320 0.001 0.000 0.218 446 A C 1.987 179.577 177.584 0.010 0.000 1.154 446 A CA 0.832 52.876 52.037 0.010 0.000 0.679 446 A CB -0.341 18.665 19.000 0.011 0.000 0.795 446 A HN 0.346 nan 8.150 nan 0.000 0.458 447 M N -0.451 119.154 119.600 0.008 0.000 2.539 447 M HA -0.147 4.334 4.480 0.001 0.000 0.261 447 M C 1.392 177.700 176.300 0.012 0.000 1.069 447 M CA 1.055 56.360 55.300 0.008 0.000 1.081 447 M CB -0.292 32.312 32.600 0.006 0.000 1.412 447 M HN 0.463 nan 8.290 nan 0.000 0.482 448 E N 0.192 120.401 120.200 0.015 0.000 2.427 448 E HA -0.057 4.294 4.350 0.001 0.000 0.196 448 E C 2.042 178.652 176.600 0.018 0.000 1.028 448 E CA 0.554 56.965 56.400 0.019 0.000 0.864 448 E CB -0.000 29.711 29.700 0.019 0.000 0.813 448 E HN 0.522 nan 8.360 nan 0.000 0.514 449 A N 2.260 125.088 122.820 0.015 0.000 1.908 449 A HA -0.130 4.191 4.320 0.001 0.000 0.218 449 A C -0.327 177.267 177.584 0.016 0.000 1.181 449 A CA 1.149 53.195 52.037 0.015 0.000 0.627 449 A CB -1.329 17.679 19.000 0.013 0.000 0.818 449 A HN 0.142 nan 8.150 nan 0.000 0.445 450 P HA -0.173 nan 4.420 nan 0.000 0.214 450 P C 1.844 179.156 177.300 0.019 0.000 1.163 450 P CA 0.886 63.995 63.100 0.015 0.000 0.883 450 P CB -0.152 31.556 31.700 0.013 0.000 0.788 451 L N 0.038 121.275 121.223 0.024 0.000 1.989 451 L HA -0.184 4.157 4.340 0.001 0.000 0.211 451 L C 2.209 179.096 176.870 0.028 0.000 1.071 451 L CA 2.169 57.028 54.840 0.031 0.000 0.749 451 L CB -1.089 40.993 42.059 0.038 0.000 0.890 451 L HN -0.055 nan 8.230 nan 0.000 0.431 452 R N -0.670 119.844 120.500 0.022 0.000 2.083 452 R HA -0.196 4.145 4.340 0.001 0.000 0.237 452 R C 2.151 178.461 176.300 0.017 0.000 1.137 452 R CA 1.715 57.826 56.100 0.017 0.000 0.951 452 R CB -0.221 30.088 30.300 0.015 0.000 0.851 452 R HN 0.549 nan 8.270 nan 0.000 0.434 453 Q N 0.197 120.007 119.800 0.017 0.000 2.245 453 Q HA -0.015 4.326 4.340 0.001 0.000 0.201 453 Q C 2.170 178.180 176.000 0.017 0.000 0.955 453 Q CA 0.970 56.782 55.803 0.016 0.000 0.870 453 Q CB 0.030 28.776 28.738 0.015 0.000 0.945 453 Q HN 0.442 nan 8.270 nan 0.000 0.461 454 I N -0.030 120.552 120.570 0.020 0.000 2.252 454 I HA -0.216 3.955 4.170 0.001 0.000 0.245 454 I C 2.137 178.271 176.117 0.029 0.000 1.102 454 I CA 0.737 62.050 61.300 0.021 0.000 1.385 454 I CB -0.159 37.853 38.000 0.021 0.000 1.064 454 I HN -0.050 nan 8.210 nan 0.000 0.414 455 V N 0.628 120.563 119.914 0.035 0.000 2.515 455 V HA -0.244 3.877 4.120 0.001 0.000 0.250 455 V C 2.303 178.412 176.094 0.025 0.000 1.058 455 V CA 1.333 63.657 62.300 0.039 0.000 1.064 455 V CB -0.392 31.446 31.823 0.025 0.000 0.675 455 V HN 0.352 nan 8.190 nan 0.000 0.461 456 L N 0.447 121.681 121.223 0.018 0.000 2.056 456 L HA -0.102 4.239 4.340 0.001 0.000 0.207 456 L C 2.207 179.086 176.870 0.015 0.000 1.078 456 L CA 1.861 56.709 54.840 0.014 0.000 0.749 456 L CB -0.900 41.166 42.059 0.012 0.000 0.901 456 L HN 0.304 nan 8.230 nan 0.000 0.433 457 N N -0.805 117.904 118.700 0.015 0.000 2.104 457 N HA -0.225 4.516 4.740 0.001 0.000 0.190 457 N C 1.677 177.195 175.510 0.014 0.000 1.024 457 N CA 1.930 54.988 53.050 0.012 0.000 0.853 457 N CB -0.331 38.163 38.487 0.011 0.000 1.008 457 N HN 0.441 nan 8.380 nan 0.000 0.424 458 C N -0.008 119.305 119.300 0.021 0.000 2.491 458 C HA 0.102 4.563 4.460 0.001 0.000 0.277 458 C C 1.729 176.736 174.990 0.028 0.000 1.455 458 C CA 0.454 59.488 59.018 0.028 0.000 1.758 458 C CB -1.152 26.619 27.740 0.051 0.000 1.745 458 C HN 0.676 nan 8.230 nan 0.000 0.558 459 G N 0.736 109.549 108.800 0.021 0.000 2.143 459 G HA2 -0.191 3.770 3.960 0.001 0.000 0.249 459 G HA3 -0.191 3.770 3.960 0.001 0.000 0.249 459 G C -0.235 174.675 174.900 0.016 0.000 0.981 459 G CA 0.397 45.506 45.100 0.016 0.000 0.665 459 G HN 0.615 nan 8.290 nan 0.000 0.528 460 E N -0.650 119.560 120.200 0.017 0.000 2.431 460 E HA 0.457 4.808 4.350 0.001 0.000 0.268 460 E C -0.725 175.873 176.600 -0.004 0.000 0.953 460 E CA -1.076 55.329 56.400 0.008 0.000 0.810 460 E CB 0.818 30.527 29.700 0.015 0.000 1.369 460 E HN 0.075 nan 8.360 nan 0.000 0.440 461 E N 2.024 122.214 120.200 -0.017 0.000 1.985 461 E HA 0.067 4.418 4.350 0.001 0.000 0.268 461 E C -1.938 174.649 176.600 -0.021 0.000 1.219 461 E CA -1.583 54.807 56.400 -0.017 0.000 0.942 461 E CB 0.298 29.988 29.700 -0.018 0.000 1.045 461 E HN 0.251 nan 8.360 nan 0.000 0.413 462 P HA -0.170 nan 4.420 nan 0.000 0.214 462 P C 1.403 178.701 177.300 -0.004 0.000 1.163 462 P CA 1.367 64.464 63.100 -0.004 0.000 0.883 462 P CB 0.197 31.899 31.700 0.004 0.000 0.788 463 S N -1.371 114.328 115.700 -0.002 0.000 2.447 463 S HA -0.067 4.404 4.470 0.001 0.000 0.233 463 S C 1.899 176.498 174.600 -0.001 0.000 1.006 463 S CA 0.967 59.168 58.200 0.001 0.000 0.957 463 S CB -1.572 61.629 63.200 0.002 0.000 0.773 463 S HN -0.054 nan 8.310 nan 0.000 0.507 464 V N 1.488 121.396 119.914 -0.010 0.000 2.346 464 V HA -0.057 4.064 4.120 0.001 0.000 0.244 464 V C 2.577 178.665 176.094 -0.010 0.000 1.037 464 V CA 1.222 63.514 62.300 -0.012 0.000 1.029 464 V CB -0.745 31.067 31.823 -0.019 0.000 0.663 464 V HN 0.431 nan 8.190 nan 0.000 0.454 465 V N 0.724 120.617 119.914 -0.035 0.000 2.407 465 V HA -0.247 3.874 4.120 0.001 0.000 0.248 465 V C 2.750 178.868 176.094 0.039 0.000 1.055 465 V CA 1.933 64.210 62.300 -0.039 0.000 1.049 465 V CB -1.224 30.506 31.823 -0.154 0.000 0.662 465 V HN 0.537 nan 8.190 nan 0.000 0.455 466 A N 0.341 123.177 122.820 0.027 0.000 1.883 466 A HA -0.252 4.069 4.320 0.001 0.000 0.217 466 A C 2.160 179.770 177.584 0.043 0.000 1.186 466 A CA 2.094 54.155 52.037 0.040 0.000 0.624 466 A CB -0.705 18.310 19.000 0.026 0.000 0.822 466 A HN 0.590 nan 8.150 nan 0.000 0.444 467 N N -0.368 118.347 118.700 0.025 0.000 2.120 467 N HA -0.149 4.591 4.740 0.001 0.000 0.188 467 N C 2.026 177.546 175.510 0.016 0.000 1.024 467 N CA 2.252 55.311 53.050 0.015 0.000 0.852 467 N CB -0.431 38.057 38.487 0.002 0.000 1.003 467 N HN 0.743 nan 8.380 nan 0.000 0.424 468 T N -1.013 113.554 114.554 0.023 0.000 2.737 468 T HA -0.026 4.325 4.350 0.001 0.000 0.265 468 T C 2.212 176.956 174.700 0.073 0.000 1.038 468 T CA 0.926 63.022 62.100 -0.006 0.000 1.144 468 T CB -0.807 68.021 68.868 -0.068 0.000 0.866 468 T HN -0.111 nan 8.240 nan 0.000 0.434 469 V N 2.017 122.040 119.914 0.182 0.000 2.490 469 V HA -0.130 3.991 4.120 0.001 0.000 0.250 469 V C 2.659 178.849 176.094 0.160 0.000 1.061 469 V CA 1.731 64.181 62.300 0.251 0.000 1.064 469 V CB -0.648 31.312 31.823 0.230 0.000 0.670 469 V HN 0.538 nan 8.190 nan 0.000 0.461 470 K N 0.095 120.549 120.400 0.089 0.000 2.439 470 K HA -0.017 4.304 4.320 0.001 0.000 0.197 470 K C 2.043 178.654 176.600 0.018 0.000 1.041 470 K CA 0.941 57.258 56.287 0.050 0.000 0.970 470 K CB -0.266 32.254 32.500 0.033 0.000 0.773 470 K HN 0.569 nan 8.250 nan 0.000 0.479 471 G N 0.941 109.742 108.800 0.001 0.000 2.551 471 G HA2 -0.015 3.946 3.960 0.001 0.000 0.216 471 G HA3 -0.015 3.946 3.960 0.001 0.000 0.216 471 G C 0.668 175.508 174.900 -0.101 0.000 1.137 471 G CA 0.202 45.273 45.100 -0.049 0.000 0.798 471 G HN 0.310 nan 8.290 nan 0.000 0.536 472 G N -0.582 108.164 108.800 -0.091 0.000 2.547 472 G HA2 0.485 4.446 3.960 0.001 0.000 0.291 472 G HA3 0.485 4.446 3.960 0.001 0.000 0.291 472 G C -1.139 173.736 174.900 -0.042 0.000 1.211 472 G CA -0.492 44.476 45.100 -0.221 0.000 0.950 472 G HN 0.095 nan 8.290 nan 0.000 0.504 473 D N -0.753 119.621 120.400 -0.044 0.000 2.252 473 D HA 0.479 5.120 4.640 0.001 0.000 0.245 473 D C 1.102 177.457 176.300 0.091 0.000 1.009 473 D CA 0.641 54.652 54.000 0.020 0.000 0.870 473 D CB 1.964 42.754 40.800 -0.017 0.000 1.251 473 D HN 0.676 nan 8.370 nan 0.000 0.460 474 G N 3.026 111.870 108.800 0.073 0.000 2.672 474 G HA2 -0.442 3.519 3.960 0.001 0.000 0.332 474 G HA3 -0.442 3.519 3.960 0.001 0.000 0.332 474 G C 0.952 175.911 174.900 0.098 0.000 1.213 474 G CA 1.019 46.162 45.100 0.072 0.000 0.980 474 G HN 0.591 nan 8.290 nan 0.000 0.548 475 N N -0.224 118.537 118.700 0.103 0.000 2.453 475 N HA 0.085 4.826 4.740 0.001 0.000 0.183 475 N C 0.827 176.420 175.510 0.139 0.000 1.041 475 N CA 0.877 53.986 53.050 0.098 0.000 0.900 475 N CB -0.069 38.467 38.487 0.081 0.000 0.961 475 N HN 0.521 nan 8.380 nan 0.000 0.443 476 Y N 0.657 120.988 120.300 0.052 0.000 2.425 476 Y HA 0.398 4.949 4.550 0.001 0.000 0.331 476 Y C 0.983 176.949 175.900 0.109 0.000 1.157 476 Y CA 0.382 58.529 58.100 0.079 0.000 1.372 476 Y CB 0.247 38.750 38.460 0.072 0.000 1.253 476 Y HN 0.037 nan 8.280 nan 0.000 0.536 477 G N 3.307 111.989 108.800 -0.196 0.000 2.650 477 G HA2 0.235 4.195 3.960 0.001 0.000 0.310 477 G HA3 0.235 4.195 3.960 0.001 0.000 0.310 477 G C -2.494 172.362 174.900 -0.073 0.000 1.270 477 G CA -0.809 44.279 45.100 -0.021 0.000 0.810 477 G HN 0.462 nan 8.290 nan 0.000 0.493 478 Y N 1.458 121.629 120.300 -0.216 0.000 2.331 478 Y HA 0.594 5.144 4.550 0.001 0.000 0.334 478 Y C -0.251 175.468 175.900 -0.301 0.000 0.960 478 Y CA -1.531 56.300 58.100 -0.449 0.000 1.130 478 Y CB 1.704 39.824 38.460 -0.566 0.000 1.164 478 Y HN 0.419 nan 8.280 nan 0.000 0.458 479 N N 4.745 123.000 118.700 -0.742 0.000 2.448 479 N HA 0.153 4.894 4.740 0.001 0.000 0.250 479 N C 0.317 175.259 175.510 -0.948 0.000 1.136 479 N CA 0.535 53.209 53.050 -0.627 0.000 0.953 479 N CB 1.083 39.330 38.487 -0.400 0.000 1.251 479 N HN 0.845 nan 8.380 nan 0.000 0.502 480 A N 2.903 125.307 122.820 -0.693 0.000 2.239 480 A HA 0.160 4.481 4.320 0.001 0.000 0.209 480 A C 1.740 179.175 177.584 -0.249 0.000 1.171 480 A CA 1.014 52.778 52.037 -0.454 0.000 0.768 480 A CB -0.150 18.791 19.000 -0.098 0.000 0.790 480 A HN 0.676 nan 8.150 nan 0.000 0.478 481 A N -0.363 122.311 122.820 -0.243 0.000 1.887 481 A HA 0.067 4.388 4.320 0.001 0.000 0.210 481 A C 2.358 179.854 177.584 -0.148 0.000 1.221 481 A CA 1.805 53.751 52.037 -0.151 0.000 0.635 481 A CB -0.947 17.980 19.000 -0.122 0.000 0.881 481 A HN 0.613 nan 8.150 nan 0.000 0.456 482 T N -2.878 111.563 114.554 -0.188 0.000 2.942 482 T HA 0.079 4.430 4.350 0.001 0.000 0.265 482 T C 0.342 174.950 174.700 -0.154 0.000 1.062 482 T CA 1.073 63.084 62.100 -0.149 0.000 1.139 482 T CB -0.304 68.479 68.868 -0.142 0.000 0.883 482 T HN 0.572 nan 8.240 nan 0.000 0.468 483 E N 1.376 121.409 120.200 -0.278 0.000 2.434 483 E HA -0.097 4.254 4.350 0.001 0.000 0.296 483 E C -0.488 176.029 176.600 -0.138 0.000 1.020 483 E CA 0.462 56.722 56.400 -0.233 0.000 0.869 483 E CB -1.832 27.862 29.700 -0.009 0.000 1.351 483 E HN 0.967 nan 8.360 nan 0.000 0.402 484 E N -1.071 118.893 120.200 -0.393 0.000 2.429 484 E HA 0.554 4.905 4.350 0.001 0.000 0.280 484 E C -1.089 175.370 176.600 -0.235 0.000 1.068 484 E CA -0.963 55.385 56.400 -0.087 0.000 0.837 484 E CB 0.943 30.654 29.700 0.019 0.000 1.357 484 E HN 0.022 nan 8.360 nan 0.000 0.455 485 Y N -0.296 120.039 120.300 0.058 0.000 2.432 485 Y HA 0.790 5.341 4.550 0.001 0.000 0.322 485 Y C 0.941 176.698 175.900 -0.240 0.000 1.246 485 Y CA 0.666 58.721 58.100 -0.076 0.000 1.268 485 Y CB 2.154 40.634 38.460 0.033 0.000 1.276 485 Y HN 0.891 nan 8.280 nan 0.000 0.499 486 G N 0.387 108.922 108.800 -0.442 0.000 2.327 486 G HA2 0.001 3.962 3.960 0.001 0.000 0.291 486 G HA3 0.001 3.962 3.960 0.001 0.000 0.291 486 G C -1.845 172.818 174.900 -0.395 0.000 1.290 486 G CA -1.267 43.636 45.100 -0.329 0.000 0.857 486 G HN 0.535 nan 8.290 nan 0.000 0.520 487 N N 0.932 119.600 118.700 -0.054 0.000 2.452 487 N HA 0.060 4.801 4.740 0.001 0.000 0.266 487 N C 1.805 177.287 175.510 -0.046 0.000 1.209 487 N CA -0.320 52.736 53.050 0.010 0.000 0.929 487 N CB 0.717 39.247 38.487 0.072 0.000 1.063 487 N HN 0.393 nan 8.380 nan 0.000 0.472 488 M N 3.721 123.293 119.600 -0.047 0.000 2.149 488 M HA -0.168 4.313 4.480 0.001 0.000 0.261 488 M C 1.533 177.812 176.300 -0.034 0.000 1.064 488 M CA 1.059 56.328 55.300 -0.053 0.000 1.102 488 M CB -0.573 32.008 32.600 -0.032 0.000 1.369 488 M HN 0.556 nan 8.290 nan 0.000 0.408 489 I N 0.225 120.788 120.570 -0.012 0.000 2.252 489 I HA -0.235 3.936 4.170 0.001 0.000 0.245 489 I C 1.548 177.658 176.117 -0.012 0.000 1.102 489 I CA 1.340 62.636 61.300 -0.007 0.000 1.385 489 I CB -1.705 36.298 38.000 0.005 0.000 1.064 489 I HN 0.238 nan 8.210 nan 0.000 0.414 490 D N 0.430 120.825 120.400 -0.008 0.000 2.363 490 D HA -0.024 4.617 4.640 0.001 0.000 0.220 490 D C 2.018 178.303 176.300 -0.025 0.000 0.994 490 D CA 0.663 54.657 54.000 -0.009 0.000 0.890 490 D CB 0.087 40.890 40.800 0.005 0.000 0.906 490 D HN 0.382 nan 8.370 nan 0.000 0.530 491 M N -0.971 118.603 119.600 -0.043 0.000 2.428 491 M HA 0.193 4.674 4.480 0.001 0.000 0.239 491 M C 1.047 177.312 176.300 -0.059 0.000 1.121 491 M CA 0.200 55.462 55.300 -0.063 0.000 1.019 491 M CB 1.017 33.557 32.600 -0.099 0.000 1.485 491 M HN 0.060 nan 8.290 nan 0.000 0.484 492 G N 1.853 110.628 108.800 -0.042 0.000 2.157 492 G HA2 -0.221 3.740 3.960 0.001 0.000 0.248 492 G HA3 -0.221 3.740 3.960 0.001 0.000 0.248 492 G C 0.053 174.932 174.900 -0.036 0.000 0.979 492 G CA -0.364 44.715 45.100 -0.036 0.000 0.650 492 G HN 0.475 nan 8.290 nan 0.000 0.529 493 I N 1.271 121.816 120.570 -0.041 0.000 2.307 493 I HA 0.566 4.736 4.170 0.001 0.000 0.289 493 I C 0.293 176.396 176.117 -0.024 0.000 1.021 493 I CA -0.565 60.712 61.300 -0.039 0.000 1.224 493 I CB 1.050 39.016 38.000 -0.057 0.000 1.376 493 I HN -0.046 nan 8.210 nan 0.000 0.470 494 L N 5.606 126.819 121.223 -0.017 0.000 2.381 494 L HA 0.545 4.886 4.340 0.001 0.000 0.268 494 L C -0.995 175.872 176.870 -0.005 0.000 0.997 494 L CA -0.857 53.978 54.840 -0.008 0.000 0.818 494 L CB 2.370 44.426 42.059 -0.006 0.000 1.310 494 L HN 0.449 nan 8.230 nan 0.000 0.416 495 D N 2.418 122.818 120.400 -0.001 0.000 2.192 495 D HA 0.375 5.016 4.640 0.001 0.000 0.246 495 D C -2.494 173.808 176.300 0.003 0.000 1.042 495 D CA -1.485 52.516 54.000 0.001 0.000 0.847 495 D CB 1.820 42.620 40.800 0.001 0.000 1.186 495 D HN 0.099 nan 8.370 nan 0.000 0.461 496 P HA 0.063 nan 4.420 nan 0.000 0.268 496 P C 0.810 178.112 177.300 0.002 0.000 1.204 496 P CA -0.047 63.057 63.100 0.007 0.000 0.768 496 P CB 0.686 32.395 31.700 0.015 0.000 0.842 497 T N 2.353 116.908 114.554 0.001 0.000 2.652 497 T HA -0.202 4.149 4.350 0.001 0.000 0.267 497 T C 1.629 176.322 174.700 -0.012 0.000 1.039 497 T CA 1.461 63.557 62.100 -0.005 0.000 1.153 497 T CB -0.355 68.511 68.868 -0.003 0.000 0.863 497 T HN 0.496 nan 8.240 nan 0.000 0.428 498 K N 1.013 121.410 120.400 -0.005 0.000 2.032 498 K HA -0.134 4.187 4.320 0.001 0.000 0.209 498 K C 2.419 179.008 176.600 -0.018 0.000 1.048 498 K CA 1.715 57.997 56.287 -0.008 0.000 0.927 498 K CB -0.375 32.131 32.500 0.010 0.000 0.712 498 K HN 0.359 nan 8.250 nan 0.000 0.441 499 V N -1.211 118.700 119.914 -0.004 0.000 2.358 499 V HA -0.170 3.951 4.120 0.001 0.000 0.246 499 V C 1.887 177.964 176.094 -0.029 0.000 1.047 499 V CA 2.171 64.469 62.300 -0.003 0.000 1.035 499 V CB -1.087 30.747 31.823 0.017 0.000 0.658 499 V HN 0.281 nan 8.190 nan 0.000 0.452 500 T N 0.482 115.019 114.554 -0.028 0.000 2.643 500 T HA -0.159 4.191 4.350 0.001 0.000 0.264 500 T C 2.110 176.767 174.700 -0.070 0.000 1.045 500 T CA 2.026 64.103 62.100 -0.037 0.000 1.155 500 T CB -0.460 68.394 68.868 -0.022 0.000 0.863 500 T HN 0.431 nan 8.240 nan 0.000 0.420 501 R N 1.226 121.681 120.500 -0.075 0.000 2.083 501 R HA -0.072 4.269 4.340 0.001 0.000 0.237 501 R C 2.514 178.691 176.300 -0.204 0.000 1.137 501 R CA 1.925 57.962 56.100 -0.104 0.000 0.951 501 R CB -0.857 29.401 30.300 -0.071 0.000 0.851 501 R HN 0.353 nan 8.270 nan 0.000 0.434 502 S N 0.637 116.190 115.700 -0.246 0.000 2.355 502 S HA -0.048 4.423 4.470 0.001 0.000 0.222 502 S C 2.098 176.281 174.600 -0.695 0.000 1.031 502 S CA 1.069 58.945 58.200 -0.540 0.000 0.993 502 S CB -0.321 62.722 63.200 -0.262 0.000 0.859 502 S HN 0.541 nan 8.310 nan 0.000 0.453 503 A N 2.203 124.857 122.820 -0.277 0.000 1.908 503 A HA -0.065 4.256 4.320 0.001 0.000 0.218 503 A C 2.100 179.602 177.584 -0.137 0.000 1.181 503 A CA 1.233 53.191 52.037 -0.133 0.000 0.627 503 A CB -0.813 18.161 19.000 -0.042 0.000 0.818 503 A HN 0.429 nan 8.150 nan 0.000 0.445 504 L N -0.218 120.917 121.223 -0.148 0.000 2.017 504 L HA -0.225 4.116 4.340 0.001 0.000 0.208 504 L C 2.457 179.255 176.870 -0.121 0.000 1.073 504 L CA 2.494 57.273 54.840 -0.102 0.000 0.745 504 L CB -1.295 40.715 42.059 -0.082 0.000 0.894 504 L HN 0.552 nan 8.230 nan 0.000 0.432 505 Q N -1.131 118.530 119.800 -0.232 0.000 2.061 505 Q HA -0.243 4.097 4.340 0.001 0.000 0.204 505 Q C 2.065 178.040 176.000 -0.042 0.000 0.984 505 Q CA 2.059 57.750 55.803 -0.187 0.000 0.846 505 Q CB -0.262 28.292 28.738 -0.307 0.000 0.902 505 Q HN 0.521 nan 8.270 nan 0.000 0.421 506 Y N -0.199 120.104 120.300 0.005 0.000 2.263 506 Y HA -0.023 4.528 4.550 0.001 0.000 0.292 506 Y C 2.328 178.230 175.900 0.005 0.000 1.130 506 Y CA 0.423 58.525 58.100 0.004 0.000 1.179 506 Y CB -1.138 37.323 38.460 0.002 0.000 0.998 506 Y HN 0.109 nan 8.280 nan 0.000 0.532 507 A N 0.517 123.409 122.820 0.119 0.000 1.883 507 A HA -0.151 4.169 4.320 0.001 0.000 0.217 507 A C 2.541 180.156 177.584 0.053 0.000 1.186 507 A CA 2.345 54.423 52.037 0.069 0.000 0.624 507 A CB -1.231 17.790 19.000 0.034 0.000 0.822 507 A HN 0.381 nan 8.150 nan 0.000 0.444 508 A N -1.059 121.784 122.820 0.038 0.000 1.930 508 A HA -0.061 4.260 4.320 0.001 0.000 0.217 508 A C 2.480 180.091 177.584 0.045 0.000 1.175 508 A CA 2.137 54.193 52.037 0.031 0.000 0.627 508 A CB -0.936 18.072 19.000 0.014 0.000 0.815 508 A HN 0.590 nan 8.150 nan 0.000 0.443 509 S N -0.603 115.138 115.700 0.069 0.000 2.348 509 S HA -0.137 4.334 4.470 0.001 0.000 0.221 509 S C 1.939 176.574 174.600 0.058 0.000 1.033 509 S CA 1.755 59.999 58.200 0.073 0.000 1.010 509 S CB -0.531 62.739 63.200 0.118 0.000 0.891 509 S HN 0.284 nan 8.310 nan 0.000 0.442 510 V N 2.180 122.132 119.914 0.064 0.000 2.295 510 V HA -0.140 3.981 4.120 0.001 0.000 0.246 510 V C 2.888 179.004 176.094 0.036 0.000 1.049 510 V CA 1.874 64.200 62.300 0.044 0.000 1.024 510 V CB -1.347 30.503 31.823 0.045 0.000 0.648 510 V HN 0.631 nan 8.190 nan 0.000 0.447 511 A N 0.289 123.132 122.820 0.038 0.000 1.902 511 A HA -0.109 4.212 4.320 0.001 0.000 0.217 511 A C 2.403 180.004 177.584 0.028 0.000 1.181 511 A CA 1.980 54.036 52.037 0.031 0.000 0.623 511 A CB -1.202 17.816 19.000 0.029 0.000 0.818 511 A HN 0.544 nan 8.150 nan 0.000 0.443 512 G N -0.453 108.364 108.800 0.029 0.000 2.408 512 G HA2 -0.091 3.870 3.960 0.001 0.000 0.217 512 G HA3 -0.091 3.870 3.960 0.001 0.000 0.217 512 G C 1.459 176.374 174.900 0.025 0.000 1.150 512 G CA 0.955 46.071 45.100 0.026 0.000 0.776 512 G HN 0.441 nan 8.290 nan 0.000 0.542 513 L N -0.292 120.947 121.223 0.026 0.000 2.418 513 L HA 0.239 4.580 4.340 0.001 0.000 0.218 513 L C 2.687 179.570 176.870 0.022 0.000 1.125 513 L CA 0.242 55.095 54.840 0.022 0.000 0.835 513 L CB -0.148 41.923 42.059 0.020 0.000 0.953 513 L HN 0.260 nan 8.230 nan 0.000 0.454 514 M N 0.614 120.228 119.600 0.024 0.000 2.248 514 M HA -0.095 4.386 4.480 0.001 0.000 0.265 514 M C 2.258 178.575 176.300 0.029 0.000 1.079 514 M CA 1.473 56.789 55.300 0.026 0.000 1.150 514 M CB 0.110 32.726 32.600 0.026 0.000 1.366 514 M HN 0.278 nan 8.290 nan 0.000 0.433 515 I N -1.629 118.957 120.570 0.028 0.000 2.756 515 I HA -0.116 4.055 4.170 0.001 0.000 0.262 515 I C 1.703 177.838 176.117 0.030 0.000 1.225 515 I CA 1.523 62.840 61.300 0.028 0.000 1.472 515 I CB -1.227 36.788 38.000 0.025 0.000 1.094 515 I HN 0.294 nan 8.210 nan 0.000 0.454 516 T N -1.706 112.865 114.554 0.029 0.000 3.160 516 T HA 0.034 4.385 4.350 0.001 0.000 0.257 516 T C 0.916 175.638 174.700 0.036 0.000 1.147 516 T CA 0.160 62.278 62.100 0.030 0.000 1.064 516 T CB -1.146 67.738 68.868 0.026 0.000 0.949 516 T HN 0.312 nan 8.240 nan 0.000 0.526 517 T N 3.140 117.717 114.554 0.038 0.000 2.765 517 T HA 0.132 4.483 4.350 0.001 0.000 0.284 517 T C 0.762 175.498 174.700 0.059 0.000 0.946 517 T CA 0.134 62.261 62.100 0.045 0.000 1.185 517 T CB 0.758 69.654 68.868 0.047 0.000 0.887 517 T HN 0.306 nan 8.240 nan 0.000 0.532 518 E N 1.128 121.370 120.200 0.071 0.000 2.489 518 E HA 0.244 4.594 4.350 0.001 0.000 0.204 518 E C -0.070 176.610 176.600 0.135 0.000 1.006 518 E CA -0.098 56.367 56.400 0.109 0.000 0.936 518 E CB 0.448 30.216 29.700 0.115 0.000 1.002 518 E HN 0.651 nan 8.360 nan 0.000 0.488 519 C N -0.118 119.219 119.300 0.062 0.000 3.082 519 C HA 0.669 5.130 4.460 0.001 0.000 0.324 519 C C -1.650 173.339 174.990 -0.003 0.000 1.210 519 C CA -0.734 58.267 59.018 -0.029 0.000 1.366 519 C CB 0.601 28.259 27.740 -0.136 0.000 1.756 519 C HN 0.241 nan 8.230 nan 0.000 0.485 520 M N 4.461 124.077 119.600 0.027 0.000 2.327 520 M HA 0.683 5.164 4.480 0.001 0.000 0.298 520 M C -1.241 175.119 176.300 0.100 0.000 1.065 520 M CA -0.536 54.823 55.300 0.099 0.000 0.916 520 M CB 2.145 34.912 32.600 0.278 0.000 1.630 520 M HN 0.393 nan 8.290 nan 0.000 0.442 521 V N 1.213 121.111 119.914 -0.027 0.000 2.686 521 V HA 0.874 4.995 4.120 0.001 0.000 0.306 521 V C -0.487 175.523 176.094 -0.139 0.000 1.065 521 V CA -0.405 61.862 62.300 -0.055 0.000 0.894 521 V CB 2.258 34.049 31.823 -0.052 0.000 1.004 521 V HN 0.968 nan 8.190 nan 0.000 0.424 522 T N 2.263 116.721 114.554 -0.161 0.000 2.717 522 T HA 0.286 4.636 4.350 0.001 0.000 0.315 522 T C -1.919 172.705 174.700 -0.126 0.000 1.746 522 T CA -0.600 61.394 62.100 -0.177 0.000 1.001 522 T CB 1.629 70.332 68.868 -0.276 0.000 1.673 522 T HN 0.718 nan 8.240 nan 0.000 0.498 523 D N 1.661 122.002 120.400 -0.098 0.000 2.345 523 D HA 0.451 5.092 4.640 0.001 0.000 0.247 523 D C 0.366 176.642 176.300 -0.041 0.000 1.108 523 D CA -0.185 53.782 54.000 -0.054 0.000 0.894 523 D CB 0.491 41.264 40.800 -0.045 0.000 1.203 523 D HN 0.403 nan 8.370 nan 0.000 0.430 524 L N 3.299 124.517 121.223 -0.009 0.000 2.529 524 L HA 0.118 4.458 4.340 0.001 0.000 0.287 524 L C -1.460 175.416 176.870 0.010 0.000 1.241 524 L CA -1.026 53.823 54.840 0.015 0.000 0.857 524 L CB -0.168 41.903 42.059 0.019 0.000 1.113 524 L HN 0.370 nan 8.230 nan 0.000 0.504 525 P HA 0.572 nan 4.420 nan 0.000 0.293 525 P C -0.804 176.506 177.300 0.018 0.000 1.304 525 P CA -0.342 62.773 63.100 0.024 0.000 0.767 525 P CB 1.177 32.906 31.700 0.048 0.000 1.247 526 K N 0.000 120.409 120.400 0.015 0.000 2.780 526 K HA 0.000 4.321 4.320 0.001 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543