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 1pcq_1_G DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.574 177.584 -0.017 0.000 1.274 2 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 2 A CB 0.000 18.985 19.000 -0.026 0.000 0.831 3 A N 1.913 124.725 122.820 -0.013 0.000 2.565 3 A HA 0.494 4.813 4.320 -0.001 0.000 0.237 3 A C 0.215 177.789 177.584 -0.018 0.000 1.053 3 A CA 0.465 52.496 52.037 -0.009 0.000 0.755 3 A CB -0.104 18.894 19.000 -0.003 0.000 0.980 3 A HN 0.593 nan 8.150 nan 0.000 0.506 4 K N 1.864 122.257 120.400 -0.012 0.000 2.156 4 K HA 0.359 4.679 4.320 -0.001 0.000 0.254 4 K C -0.965 175.632 176.600 -0.005 0.000 0.950 4 K CA -0.715 55.558 56.287 -0.024 0.000 0.849 4 K CB 1.534 34.022 32.500 -0.020 0.000 1.100 4 K HN 0.734 nan 8.250 nan 0.000 0.434 5 D N 1.660 122.048 120.400 -0.019 0.000 2.225 5 D HA 0.274 4.914 4.640 -0.001 0.000 0.248 5 D C -1.075 175.305 176.300 0.134 0.000 1.096 5 D CA -0.458 53.579 54.000 0.062 0.000 0.863 5 D CB 1.200 42.029 40.800 0.048 0.000 1.156 5 D HN 0.250 nan 8.370 nan 0.000 0.450 6 V N 1.115 121.102 119.914 0.123 0.000 2.588 6 V HA 0.655 4.774 4.120 -0.001 0.000 0.304 6 V C -0.911 175.102 176.094 -0.136 0.000 1.042 6 V CA -0.676 61.621 62.300 -0.006 0.000 0.877 6 V CB 1.793 33.533 31.823 -0.138 0.000 0.996 6 V HN 0.386 nan 8.190 nan 0.000 0.425 7 K N 4.322 124.527 120.400 -0.324 0.000 2.318 7 K HA 0.686 5.006 4.320 -0.001 0.000 0.249 7 K C -1.732 174.523 176.600 -0.575 0.000 0.942 7 K CA -0.464 55.560 56.287 -0.438 0.000 0.808 7 K CB 2.501 34.583 32.500 -0.697 0.000 1.189 7 K HN 0.721 nan 8.250 nan 0.000 0.428 8 F N 0.038 119.929 119.950 -0.098 0.000 2.538 8 F HA 0.383 4.909 4.527 -0.001 0.000 0.325 8 F C 1.252 177.010 175.800 -0.069 0.000 1.066 8 F CA 0.253 58.216 58.000 -0.062 0.000 0.946 8 F CB 1.866 40.845 39.000 -0.035 0.000 1.199 8 F HN 0.857 nan 8.300 nan 0.000 0.473 9 G N 2.302 111.205 108.800 0.173 0.000 2.622 9 G HA2 -0.509 3.451 3.960 -0.001 0.000 0.307 9 G HA3 -0.509 3.451 3.960 -0.001 0.000 0.307 9 G C 1.012 175.925 174.900 0.022 0.000 1.226 9 G CA 1.099 46.250 45.100 0.086 0.000 0.997 9 G HN 0.828 nan 8.290 nan 0.000 0.551 10 N N 0.858 119.565 118.700 0.013 0.000 2.104 10 N HA -0.075 4.665 4.740 -0.001 0.000 0.190 10 N C 1.753 177.241 175.510 -0.037 0.000 1.024 10 N CA 2.488 55.533 53.050 -0.009 0.000 0.853 10 N CB -0.291 38.193 38.487 -0.006 0.000 1.008 10 N HN 0.529 nan 8.380 nan 0.000 0.424 11 D N 0.086 120.456 120.400 -0.050 0.000 2.092 11 D HA -0.118 4.522 4.640 -0.001 0.000 0.193 11 D C 1.922 178.115 176.300 -0.179 0.000 0.994 11 D CA 1.586 55.523 54.000 -0.105 0.000 0.828 11 D CB -0.858 39.873 40.800 -0.115 0.000 0.963 11 D HN 0.436 nan 8.370 nan 0.000 0.450 12 A N 0.794 123.493 122.820 -0.201 0.000 1.917 12 A HA -0.253 4.067 4.320 -0.001 0.000 0.219 12 A C 2.197 179.690 177.584 -0.152 0.000 1.182 12 A CA 1.756 53.630 52.037 -0.271 0.000 0.633 12 A CB -0.493 18.380 19.000 -0.212 0.000 0.819 12 A HN 0.122 nan 8.150 nan 0.000 0.448 13 R N -1.011 119.440 120.500 -0.082 0.000 2.057 13 R HA -0.039 4.300 4.340 -0.001 0.000 0.229 13 R C 2.134 178.413 176.300 -0.035 0.000 1.136 13 R CA 1.344 57.419 56.100 -0.041 0.000 0.952 13 R CB -0.594 29.694 30.300 -0.020 0.000 0.848 13 R HN 0.373 nan 8.270 nan 0.000 0.430 14 V N 2.169 122.059 119.914 -0.041 0.000 2.282 14 V HA -0.330 3.789 4.120 -0.001 0.000 0.249 14 V C 2.266 178.343 176.094 -0.027 0.000 1.057 14 V CA 1.784 64.066 62.300 -0.030 0.000 1.032 14 V CB -0.453 31.351 31.823 -0.031 0.000 0.645 14 V HN 0.300 nan 8.190 nan 0.000 0.447 15 K N -0.494 119.875 120.400 -0.052 0.000 2.032 15 K HA -0.200 4.120 4.320 -0.001 0.000 0.209 15 K C 2.135 178.747 176.600 0.020 0.000 1.048 15 K CA 1.900 58.176 56.287 -0.018 0.000 0.927 15 K CB -0.669 31.801 32.500 -0.051 0.000 0.712 15 K HN 0.449 nan 8.250 nan 0.000 0.441 16 M N 0.785 120.391 119.600 0.010 0.000 2.202 16 M HA -0.190 4.290 4.480 -0.001 0.000 0.262 16 M C 2.087 178.401 176.300 0.024 0.000 1.063 16 M CA 1.276 56.595 55.300 0.032 0.000 1.097 16 M CB -0.026 32.586 32.600 0.021 0.000 1.382 16 M HN 0.098 nan 8.290 nan 0.000 0.413 17 L N 0.262 121.492 121.223 0.012 0.000 2.049 17 L HA -0.090 4.249 4.340 -0.001 0.000 0.203 17 L C 2.262 179.141 176.870 0.014 0.000 1.074 17 L CA 1.701 56.547 54.840 0.011 0.000 0.749 17 L CB -0.692 41.370 42.059 0.005 0.000 0.907 17 L HN 0.184 nan 8.230 nan 0.000 0.439 18 R N -0.212 120.297 120.500 0.014 0.000 2.133 18 R HA -0.190 4.149 4.340 -0.001 0.000 0.247 18 R C 2.093 178.406 176.300 0.022 0.000 1.151 18 R CA 1.300 57.410 56.100 0.017 0.000 0.971 18 R CB -1.039 29.272 30.300 0.019 0.000 0.866 18 R HN 0.640 nan 8.270 nan 0.000 0.447 19 G N 0.500 109.317 108.800 0.029 0.000 2.464 19 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.214 19 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.214 19 G C 1.484 176.397 174.900 0.021 0.000 1.218 19 G CA 0.924 46.042 45.100 0.029 0.000 0.794 19 G HN 0.138 nan 8.290 nan 0.000 0.542 20 V N 1.720 121.646 119.914 0.021 0.000 2.250 20 V HA -0.364 3.756 4.120 -0.001 0.000 0.253 20 V C 2.519 178.622 176.094 0.014 0.000 1.065 20 V CA 2.448 64.759 62.300 0.017 0.000 1.039 20 V CB -1.077 30.756 31.823 0.017 0.000 0.647 20 V HN 0.478 nan 8.190 nan 0.000 0.446 21 N N -0.126 118.582 118.700 0.013 0.000 2.036 21 N HA -0.181 4.559 4.740 -0.001 0.000 0.195 21 N C 1.763 177.279 175.510 0.010 0.000 1.037 21 N CA 1.570 54.626 53.050 0.011 0.000 0.855 21 N CB -0.354 38.139 38.487 0.010 0.000 1.033 21 N HN 0.329 nan 8.380 nan 0.000 0.423 22 V N 1.792 121.712 119.914 0.011 0.000 2.231 22 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 22 V C 2.266 178.365 176.094 0.008 0.000 1.054 22 V CA 1.464 63.770 62.300 0.010 0.000 1.015 22 V CB -0.734 31.095 31.823 0.011 0.000 0.638 22 V HN 0.377 nan 8.190 nan 0.000 0.444 23 L N 0.948 122.176 121.223 0.010 0.000 1.970 23 L HA -0.155 4.184 4.340 -0.001 0.000 0.212 23 L C 2.543 179.418 176.870 0.008 0.000 1.071 23 L CA 2.894 57.739 54.840 0.008 0.000 0.751 23 L CB -1.779 40.286 42.059 0.009 0.000 0.889 23 L HN 0.302 nan 8.230 nan 0.000 0.432 24 A N -0.063 122.763 122.820 0.010 0.000 1.873 24 A HA -0.280 4.040 4.320 -0.001 0.000 0.218 24 A C 1.927 179.516 177.584 0.009 0.000 1.193 24 A CA 2.164 54.207 52.037 0.010 0.000 0.629 24 A CB -1.067 17.940 19.000 0.012 0.000 0.826 24 A HN 0.609 nan 8.150 nan 0.000 0.447 25 D N -0.022 120.383 120.400 0.008 0.000 2.182 25 D HA -0.069 4.570 4.640 -0.001 0.000 0.201 25 D C 2.066 178.369 176.300 0.005 0.000 0.986 25 D CA 1.525 55.528 54.000 0.006 0.000 0.847 25 D CB -0.469 40.334 40.800 0.005 0.000 0.942 25 D HN 0.488 nan 8.370 nan 0.000 0.467 26 A N 0.269 123.092 122.820 0.005 0.000 2.014 26 A HA -0.041 4.278 4.320 -0.001 0.000 0.218 26 A C 2.400 179.986 177.584 0.003 0.000 1.163 26 A CA 0.750 52.789 52.037 0.003 0.000 0.652 26 A CB -0.201 18.800 19.000 0.002 0.000 0.808 26 A HN 0.163 nan 8.150 nan 0.000 0.449 27 V N -0.422 119.495 119.914 0.005 0.000 2.599 27 V HA -0.114 4.005 4.120 -0.001 0.000 0.245 27 V C 2.232 178.329 176.094 0.006 0.000 1.046 27 V CA 1.599 63.902 62.300 0.005 0.000 1.065 27 V CB -0.478 31.350 31.823 0.007 0.000 0.703 27 V HN 0.470 nan 8.190 nan 0.000 0.464 28 K N 0.664 121.069 120.400 0.007 0.000 2.127 28 K HA -0.211 4.109 4.320 -0.001 0.000 0.208 28 K C 1.988 178.592 176.600 0.006 0.000 1.047 28 K CA 1.932 58.224 56.287 0.008 0.000 0.927 28 K CB -0.458 32.046 32.500 0.007 0.000 0.716 28 K HN 0.576 nan 8.250 nan 0.000 0.450 29 V N -0.981 118.936 119.914 0.005 0.000 3.078 29 V HA -0.128 3.992 4.120 -0.001 0.000 0.265 29 V C 1.834 177.930 176.094 0.004 0.000 1.122 29 V CA 1.966 64.268 62.300 0.004 0.000 1.141 29 V CB -0.984 30.840 31.823 0.002 0.000 0.735 29 V HN 0.358 nan 8.190 nan 0.000 0.498 30 T N -2.484 112.072 114.554 0.004 0.000 3.086 30 T HA 0.311 4.661 4.350 -0.001 0.000 0.250 30 T C 0.455 175.158 174.700 0.005 0.000 1.074 30 T CA -0.161 61.941 62.100 0.003 0.000 0.988 30 T CB -0.059 68.810 68.868 0.002 0.000 0.988 30 T HN 0.371 nan 8.240 nan 0.000 0.530 31 L N 2.713 123.941 121.223 0.007 0.000 2.410 31 L HA 0.569 4.909 4.340 -0.001 0.000 0.273 31 L C 0.682 177.558 176.870 0.010 0.000 1.144 31 L CA 1.552 56.398 54.840 0.010 0.000 0.863 31 L CB -0.449 41.618 42.059 0.012 0.000 1.140 31 L HN 0.669 nan 8.230 nan 0.000 0.463 32 G N 4.377 113.182 108.800 0.010 0.000 2.712 32 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.683 32 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.683 32 G C -2.181 172.721 174.900 0.004 0.000 1.320 32 G CA -0.337 44.768 45.100 0.010 0.000 0.847 32 G HN 0.544 nan 8.290 nan 0.000 0.553 33 P HA -0.022 nan 4.420 nan 0.000 0.218 33 P C 0.980 178.276 177.300 -0.006 0.000 1.149 33 P CA 1.367 64.461 63.100 -0.009 0.000 0.817 33 P CB 0.069 31.756 31.700 -0.022 0.000 0.785 34 K N 0.390 120.790 120.400 0.000 0.000 2.577 34 K HA 0.245 4.565 4.320 -0.001 0.000 0.210 34 K C 1.058 177.660 176.600 0.004 0.000 1.048 34 K CA -0.266 56.023 56.287 0.002 0.000 1.188 34 K CB 0.128 32.633 32.500 0.007 0.000 0.910 34 K HN 0.066 nan 8.250 nan 0.000 0.483 35 G N 1.327 110.129 108.800 0.003 0.000 2.491 35 G HA2 0.091 4.051 3.960 -0.001 0.000 0.242 35 G HA3 0.091 4.051 3.960 -0.001 0.000 0.242 35 G C -0.074 174.826 174.900 0.001 0.000 1.266 35 G CA -0.347 44.755 45.100 0.003 0.000 0.844 35 G HN 0.222 nan 8.290 nan 0.000 0.571 36 R N 0.626 121.126 120.500 0.001 0.000 2.810 36 R HA 0.355 4.694 4.340 -0.001 0.000 0.245 36 R C -0.357 175.942 176.300 -0.002 0.000 1.168 36 R CA -0.979 55.120 56.100 -0.001 0.000 1.096 36 R CB 0.851 31.150 30.300 -0.001 0.000 1.259 36 R HN 0.467 nan 8.270 nan 0.000 0.518 37 N N -0.307 118.391 118.700 -0.003 0.000 2.477 37 N HA 0.385 5.125 4.740 -0.001 0.000 0.284 37 N C -1.021 174.486 175.510 -0.005 0.000 1.182 37 N CA -0.463 52.584 53.050 -0.004 0.000 0.949 37 N CB 1.820 40.304 38.487 -0.005 0.000 1.204 37 N HN 0.112 nan 8.380 nan 0.000 0.526 38 V N 0.910 120.821 119.914 -0.005 0.000 2.555 38 V HA 0.389 4.508 4.120 -0.001 0.000 0.302 38 V C -0.133 175.956 176.094 -0.009 0.000 1.038 38 V CA -0.859 61.437 62.300 -0.006 0.000 0.887 38 V CB 2.046 33.866 31.823 -0.005 0.000 0.991 38 V HN 0.295 nan 8.190 nan 0.000 0.434 39 V N 5.863 125.770 119.914 -0.012 0.000 2.407 39 V HA 0.452 4.572 4.120 -0.001 0.000 0.278 39 V C -0.239 175.842 176.094 -0.022 0.000 1.037 39 V CA -0.403 61.886 62.300 -0.018 0.000 0.900 39 V CB 1.232 33.043 31.823 -0.021 0.000 0.983 39 V HN 0.622 nan 8.190 nan 0.000 0.459 40 L N 3.855 125.063 121.223 -0.025 0.000 2.295 40 L HA 0.491 4.831 4.340 -0.001 0.000 0.281 40 L C 0.040 176.873 176.870 -0.061 0.000 1.018 40 L CA -0.577 54.244 54.840 -0.031 0.000 0.841 40 L CB 1.307 43.360 42.059 -0.011 0.000 1.218 40 L HN 0.504 nan 8.230 nan 0.000 0.424 41 D N 3.391 123.740 120.400 -0.086 0.000 2.390 41 D HA 0.147 4.787 4.640 -0.001 0.000 0.236 41 D C -0.378 175.763 176.300 -0.265 0.000 1.189 41 D CA 0.610 54.520 54.000 -0.150 0.000 0.887 41 D CB 0.763 41.481 40.800 -0.138 0.000 1.198 41 D HN 0.382 nan 8.370 nan 0.000 0.444 42 K N 0.759 120.890 120.400 -0.449 0.000 2.707 42 K HA 0.117 4.437 4.320 -0.001 0.000 0.283 42 K C 0.827 176.795 176.600 -1.053 0.000 1.105 42 K CA -0.286 55.379 56.287 -1.036 0.000 1.018 42 K CB 1.007 33.157 32.500 -0.583 0.000 1.315 42 K HN 0.315 nan 8.250 nan 0.000 0.495 43 S N 2.667 117.686 115.700 -1.134 0.000 2.365 43 S HA -0.256 4.213 4.470 -0.001 0.000 0.221 43 S C 1.561 176.025 174.600 -0.228 0.000 1.037 43 S CA 1.683 59.621 58.200 -0.437 0.000 1.060 43 S CB -0.749 62.371 63.200 -0.133 0.000 0.974 43 S HN 0.528 nan 8.310 nan 0.000 0.427 44 F N 2.617 122.563 119.950 -0.008 0.000 2.442 44 F HA -0.192 4.334 4.527 -0.001 0.000 0.279 44 F C 1.900 177.696 175.800 -0.007 0.000 1.191 44 F CA 0.734 58.729 58.000 -0.008 0.000 1.443 44 F CB -1.981 37.014 39.000 -0.009 0.000 0.833 44 F HN 0.562 nan 8.300 nan 0.000 0.539 45 G N -1.481 107.389 108.800 0.115 0.000 3.212 45 G HA2 0.671 4.631 3.960 -0.001 0.000 0.188 45 G HA3 0.671 4.631 3.960 -0.001 0.000 0.188 45 G C -0.805 174.080 174.900 -0.025 0.000 1.254 45 G CA -0.340 44.789 45.100 0.048 0.000 0.957 45 G HN 0.640 nan 8.290 nan 0.000 0.596 46 A N 0.016 122.827 122.820 -0.015 0.000 2.366 46 A HA 0.657 4.977 4.320 -0.001 0.000 0.249 46 A C -1.942 175.611 177.584 -0.050 0.000 1.084 46 A CA -0.644 51.373 52.037 -0.033 0.000 0.794 46 A CB -0.352 18.638 19.000 -0.017 0.000 1.034 46 A HN 0.405 nan 8.150 nan 0.000 0.491 47 P HA 0.213 nan 4.420 nan 0.000 0.272 47 P C -0.219 177.061 177.300 -0.033 0.000 1.248 47 P CA 0.170 63.232 63.100 -0.063 0.000 0.799 47 P CB 0.385 32.051 31.700 -0.057 0.000 0.997 48 T N 0.916 115.454 114.554 -0.027 0.000 2.824 48 T HA 0.560 4.910 4.350 -0.001 0.000 0.282 48 T C -0.190 174.503 174.700 -0.011 0.000 0.993 48 T CA -0.283 61.811 62.100 -0.009 0.000 0.967 48 T CB 0.171 69.041 68.868 0.003 0.000 0.960 48 T HN 0.092 nan 8.240 nan 0.000 0.441 49 I N 2.620 123.185 120.570 -0.007 0.000 2.359 49 I HA 0.588 4.758 4.170 -0.001 0.000 0.294 49 I C 0.492 176.607 176.117 -0.004 0.000 0.987 49 I CA -0.194 61.102 61.300 -0.007 0.000 1.225 49 I CB 1.926 39.921 38.000 -0.007 0.000 1.366 49 I HN 0.452 nan 8.210 nan 0.000 0.466 50 T N 4.060 118.612 114.554 -0.004 0.000 2.982 50 T HA 0.275 4.625 4.350 -0.001 0.000 0.321 50 T C 0.130 174.828 174.700 -0.004 0.000 1.229 50 T CA -0.617 61.481 62.100 -0.003 0.000 1.044 50 T CB 1.488 70.355 68.868 -0.002 0.000 1.184 50 T HN 0.710 nan 8.240 nan 0.000 0.477 51 K N 1.592 121.990 120.400 -0.004 0.000 2.361 51 K HA 0.173 4.493 4.320 -0.001 0.000 0.194 51 K C 0.077 176.674 176.600 -0.004 0.000 1.032 51 K CA -0.012 56.273 56.287 -0.003 0.000 1.048 51 K CB 0.279 32.777 32.500 -0.003 0.000 0.842 51 K HN 0.499 nan 8.250 nan 0.000 0.526 52 D N 0.125 120.521 120.400 -0.007 0.000 2.348 52 D HA 0.049 4.688 4.640 -0.001 0.000 0.259 52 D C 1.150 177.445 176.300 -0.008 0.000 1.296 52 D CA 0.149 54.142 54.000 -0.011 0.000 0.931 52 D CB 0.974 41.764 40.800 -0.017 0.000 1.067 52 D HN 0.270 nan 8.370 nan 0.000 0.503 53 G N 2.822 111.619 108.800 -0.005 0.000 2.547 53 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.221 53 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.221 53 G C 1.532 176.430 174.900 -0.003 0.000 1.140 53 G CA 0.923 46.022 45.100 -0.001 0.000 0.760 53 G HN 0.508 nan 8.290 nan 0.000 0.583 54 V N 0.258 120.167 119.914 -0.008 0.000 2.427 54 V HA -0.115 4.005 4.120 -0.001 0.000 0.248 54 V C 2.902 178.991 176.094 -0.007 0.000 1.051 54 V CA 2.767 65.061 62.300 -0.010 0.000 1.048 54 V CB -0.308 31.504 31.823 -0.019 0.000 0.666 54 V HN 0.348 nan 8.190 nan 0.000 0.456 55 S N -0.302 115.394 115.700 -0.007 0.000 2.356 55 S HA -0.158 4.311 4.470 -0.001 0.000 0.223 55 S C 1.880 176.483 174.600 0.004 0.000 1.032 55 S CA 1.632 59.832 58.200 -0.000 0.000 1.005 55 S CB -0.206 62.994 63.200 -0.001 0.000 0.867 55 S HN 0.512 nan 8.310 nan 0.000 0.449 56 V N 2.187 122.102 119.914 0.002 0.000 2.282 56 V HA -0.269 3.851 4.120 -0.001 0.000 0.249 56 V C 2.634 178.730 176.094 0.004 0.000 1.057 56 V CA 1.887 64.189 62.300 0.003 0.000 1.032 56 V CB -1.320 30.504 31.823 0.001 0.000 0.645 56 V HN 0.544 nan 8.190 nan 0.000 0.447 57 A N 0.230 123.052 122.820 0.002 0.000 1.865 57 A HA -0.240 4.079 4.320 -0.001 0.000 0.217 57 A C 2.287 179.873 177.584 0.003 0.000 1.191 57 A CA 1.872 53.910 52.037 0.002 0.000 0.623 57 A CB -0.615 18.384 19.000 -0.000 0.000 0.826 57 A HN 0.518 nan 8.150 nan 0.000 0.444 58 R N -0.240 120.261 120.500 0.002 0.000 2.332 58 R HA -0.128 4.211 4.340 -0.001 0.000 0.239 58 R C 1.008 177.316 176.300 0.013 0.000 1.160 58 R CA 1.236 57.339 56.100 0.004 0.000 1.020 58 R CB -0.200 30.102 30.300 0.004 0.000 0.859 58 R HN 0.577 nan 8.270 nan 0.000 0.478 59 E N 0.065 120.274 120.200 0.015 0.000 2.460 59 E HA 0.097 4.446 4.350 -0.001 0.000 0.200 59 E C 0.438 177.046 176.600 0.014 0.000 1.011 59 E CA 0.038 56.451 56.400 0.022 0.000 0.912 59 E CB 0.489 30.202 29.700 0.022 0.000 0.953 59 E HN 0.134 nan 8.360 nan 0.000 0.494 60 I N 2.149 122.724 120.570 0.009 0.000 2.471 60 I HA 0.161 4.331 4.170 -0.001 0.000 0.286 60 I C 0.341 176.462 176.117 0.006 0.000 1.079 60 I CA 0.283 61.587 61.300 0.007 0.000 1.398 60 I CB 0.357 38.360 38.000 0.006 0.000 1.403 60 I HN -0.029 nan 8.210 nan 0.000 0.530 61 E N 6.113 126.316 120.200 0.005 0.000 2.304 61 E HA 0.463 4.812 4.350 -0.001 0.000 0.277 61 E C -1.847 174.754 176.600 0.001 0.000 0.898 61 E CA -0.650 55.752 56.400 0.002 0.000 0.764 61 E CB 1.939 31.641 29.700 0.003 0.000 1.216 61 E HN 0.245 nan 8.360 nan 0.000 0.419 62 L N 2.921 124.144 121.223 -0.000 0.000 2.331 62 L HA 0.377 4.716 4.340 -0.001 0.000 0.268 62 L C 1.348 178.215 176.870 -0.004 0.000 1.015 62 L CA -0.018 54.823 54.840 0.002 0.000 0.807 62 L CB 1.190 43.255 42.059 0.010 0.000 1.293 62 L HN 0.833 nan 8.230 nan 0.000 0.451 63 E N -0.361 119.838 120.200 -0.001 0.000 2.075 63 E HA -0.089 4.261 4.350 -0.001 0.000 0.190 63 E C -0.054 176.539 176.600 -0.012 0.000 0.969 63 E CA 0.051 56.446 56.400 -0.007 0.000 0.815 63 E CB 0.338 30.036 29.700 -0.003 0.000 0.776 63 E HN 0.653 nan 8.360 nan 0.000 0.457 64 D N 1.234 121.638 120.400 0.006 0.000 2.434 64 D HA -0.067 4.573 4.640 -0.001 0.000 0.252 64 D C 0.696 176.994 176.300 -0.004 0.000 1.185 64 D CA 0.205 54.218 54.000 0.022 0.000 0.886 64 D CB 0.975 41.815 40.800 0.066 0.000 1.148 64 D HN -0.044 nan 8.370 nan 0.000 0.483 65 K N 3.404 123.747 120.400 -0.095 0.000 2.211 65 K HA -0.103 4.216 4.320 -0.001 0.000 0.203 65 K C 1.605 178.077 176.600 -0.212 0.000 1.050 65 K CA 0.721 56.882 56.287 -0.209 0.000 0.945 65 K CB -0.050 32.230 32.500 -0.367 0.000 0.732 65 K HN 0.475 nan 8.250 nan 0.000 0.451 66 F N 1.525 121.463 119.950 -0.020 0.000 2.147 66 F HA -0.015 4.512 4.527 -0.001 0.000 0.291 66 F C 2.312 178.101 175.800 -0.018 0.000 1.093 66 F CA 0.840 58.826 58.000 -0.024 0.000 1.263 66 F CB -0.466 38.518 39.000 -0.027 0.000 1.036 66 F HN 0.036 nan 8.300 nan 0.000 0.481 67 E N 0.117 120.429 120.200 0.188 0.000 2.070 67 E HA -0.308 4.042 4.350 -0.001 0.000 0.197 67 E C 1.890 178.525 176.600 0.058 0.000 1.004 67 E CA 1.530 57.988 56.400 0.097 0.000 0.805 67 E CB -0.438 29.304 29.700 0.071 0.000 0.744 67 E HN 0.270 nan 8.360 nan 0.000 0.451 68 N N 0.630 119.351 118.700 0.034 0.000 2.091 68 N HA -0.212 4.528 4.740 -0.001 0.000 0.193 68 N C 1.726 177.242 175.510 0.011 0.000 1.021 68 N CA 1.552 54.606 53.050 0.008 0.000 0.862 68 N CB -0.087 38.388 38.487 -0.020 0.000 1.018 68 N HN 0.105 nan 8.380 nan 0.000 0.429 69 M N -0.703 118.910 119.600 0.021 0.000 2.086 69 M HA -0.048 4.431 4.480 -0.001 0.000 0.261 69 M C 2.125 178.445 176.300 0.032 0.000 1.067 69 M CA 1.707 57.021 55.300 0.024 0.000 1.116 69 M CB -0.646 31.982 32.600 0.047 0.000 1.348 69 M HN 0.339 nan 8.290 nan 0.000 0.407 70 G N -0.051 108.777 108.800 0.047 0.000 2.586 70 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.218 70 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.218 70 G C 1.535 176.449 174.900 0.024 0.000 1.216 70 G CA 1.341 46.463 45.100 0.036 0.000 0.786 70 G HN 0.575 nan 8.290 nan 0.000 0.583 71 A N -0.544 122.289 122.820 0.021 0.000 1.933 71 A HA -0.079 4.241 4.320 -0.001 0.000 0.218 71 A C 2.362 179.951 177.584 0.008 0.000 1.175 71 A CA 2.038 54.083 52.037 0.014 0.000 0.628 71 A CB -0.381 18.626 19.000 0.012 0.000 0.814 71 A HN 0.348 nan 8.150 nan 0.000 0.444 72 Q N -1.136 118.667 119.800 0.006 0.000 2.364 72 Q HA -0.033 4.307 4.340 -0.001 0.000 0.207 72 Q C 1.919 177.919 176.000 -0.000 0.000 0.970 72 Q CA 1.136 56.939 55.803 0.000 0.000 0.888 72 Q CB -0.246 28.489 28.738 -0.004 0.000 0.951 72 Q HN 0.792 nan 8.270 nan 0.000 0.469 73 M N -0.816 118.788 119.600 0.005 0.000 2.398 73 M HA -0.090 4.390 4.480 -0.001 0.000 0.261 73 M C 2.098 178.402 176.300 0.006 0.000 1.125 73 M CA 0.678 55.981 55.300 0.006 0.000 1.183 73 M CB 0.145 32.752 32.600 0.012 0.000 1.322 73 M HN 0.000 nan 8.290 nan 0.000 0.467 74 V N -0.327 119.593 119.914 0.011 0.000 2.568 74 V HA -0.264 3.856 4.120 -0.001 0.000 0.253 74 V C 2.046 178.143 176.094 0.006 0.000 1.072 74 V CA 1.882 64.189 62.300 0.012 0.000 1.084 74 V CB -1.443 30.389 31.823 0.016 0.000 0.676 74 V HN 0.515 nan 8.190 nan 0.000 0.469 75 K N 0.683 121.083 120.400 0.001 0.000 2.362 75 K HA -0.269 4.050 4.320 -0.001 0.000 0.202 75 K C 2.118 178.708 176.600 -0.017 0.000 1.045 75 K CA 1.896 58.180 56.287 -0.005 0.000 0.936 75 K CB -0.116 32.381 32.500 -0.006 0.000 0.747 75 K HN 0.702 nan 8.250 nan 0.000 0.467 76 E N 0.268 120.457 120.200 -0.020 0.000 2.230 76 E HA -0.106 4.243 4.350 -0.001 0.000 0.192 76 E C 1.885 178.447 176.600 -0.063 0.000 0.987 76 E CA 0.622 56.996 56.400 -0.043 0.000 0.841 76 E CB 0.207 29.884 29.700 -0.038 0.000 0.783 76 E HN 0.285 nan 8.360 nan 0.000 0.481 77 V N 0.270 120.171 119.914 -0.022 0.000 2.261 77 V HA -0.174 3.946 4.120 -0.001 0.000 0.246 77 V C 2.223 178.310 176.094 -0.011 0.000 1.047 77 V CA 2.119 64.422 62.300 0.005 0.000 1.015 77 V CB -0.617 31.243 31.823 0.061 0.000 0.642 77 V HN 0.274 nan 8.190 nan 0.000 0.446 78 A N -0.272 122.546 122.820 -0.003 0.000 1.933 78 A HA -0.190 4.129 4.320 -0.001 0.000 0.218 78 A C 2.602 180.169 177.584 -0.029 0.000 1.175 78 A CA 2.500 54.536 52.037 -0.001 0.000 0.628 78 A CB -1.122 17.878 19.000 0.001 0.000 0.814 78 A HN 0.738 nan 8.150 nan 0.000 0.444 79 S N -1.048 114.621 115.700 -0.051 0.000 2.371 79 S HA -0.132 4.337 4.470 -0.001 0.000 0.224 79 S C 2.216 176.747 174.600 -0.115 0.000 1.029 79 S CA 1.505 59.664 58.200 -0.067 0.000 0.978 79 S CB -0.262 62.900 63.200 -0.063 0.000 0.833 79 S HN 0.426 nan 8.310 nan 0.000 0.466 80 K N 1.378 121.652 120.400 -0.210 0.000 2.001 80 K HA 0.073 4.393 4.320 -0.001 0.000 0.208 80 K C 2.354 178.726 176.600 -0.380 0.000 1.048 80 K CA 1.258 57.287 56.287 -0.429 0.000 0.932 80 K CB -1.135 30.878 32.500 -0.813 0.000 0.715 80 K HN 0.382 nan 8.250 nan 0.000 0.437 81 A N 2.264 124.980 122.820 -0.172 0.000 1.909 81 A HA -0.302 4.018 4.320 -0.001 0.000 0.221 81 A C 2.086 179.716 177.584 0.076 0.000 1.223 81 A CA 2.393 54.518 52.037 0.146 0.000 0.658 81 A CB -1.071 18.021 19.000 0.153 0.000 0.831 81 A HN 0.577 nan 8.150 nan 0.000 0.462 82 N N -0.525 118.179 118.700 0.006 0.000 2.149 82 N HA -0.185 4.554 4.740 -0.001 0.000 0.188 82 N C 0.918 176.435 175.510 0.012 0.000 1.019 82 N CA 1.706 54.754 53.050 -0.004 0.000 0.857 82 N CB -0.277 38.192 38.487 -0.030 0.000 0.997 82 N HN 0.535 nan 8.380 nan 0.000 0.426 83 D N 0.131 120.528 120.400 -0.005 0.000 2.234 83 D HA -0.033 4.607 4.640 -0.001 0.000 0.205 83 D C 1.571 177.909 176.300 0.063 0.000 0.962 83 D CA 0.659 54.669 54.000 0.016 0.000 0.855 83 D CB 0.075 40.861 40.800 -0.024 0.000 0.951 83 D HN 0.387 nan 8.370 nan 0.000 0.500 84 A N 1.148 124.022 122.820 0.090 0.000 1.884 84 A HA 0.369 4.688 4.320 -0.001 0.000 0.212 84 A C 2.201 179.871 177.584 0.144 0.000 1.265 84 A CA 1.138 53.262 52.037 0.144 0.000 0.626 84 A CB -0.597 18.564 19.000 0.268 0.000 0.943 84 A HN 0.180 nan 8.150 nan 0.000 0.466 85 A N -1.860 121.053 122.820 0.155 0.000 1.826 85 A HA 0.377 4.697 4.320 -0.001 0.000 0.214 85 A C 2.072 179.749 177.584 0.156 0.000 1.212 85 A CA 2.238 54.354 52.037 0.133 0.000 0.605 85 A CB -1.014 18.056 19.000 0.117 0.000 0.861 85 A HN 1.944 nan 8.150 nan 0.000 0.447 86 G N -2.158 106.706 108.800 0.107 0.000 2.211 86 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.201 86 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.201 86 G C -0.169 174.709 174.900 -0.037 0.000 0.997 86 G CA 0.599 45.711 45.100 0.020 0.000 0.652 86 G HN 0.821 nan 8.290 nan 0.000 0.500 87 D N -2.022 118.393 120.400 0.024 0.000 2.677 87 D HA 0.559 5.199 4.640 -0.001 0.000 0.298 87 D C 1.158 177.478 176.300 0.033 0.000 1.250 87 D CA 0.962 54.971 54.000 0.015 0.000 0.888 87 D CB 0.746 41.563 40.800 0.029 0.000 1.397 87 D HN 1.321 nan 8.370 nan 0.000 0.461 88 G N -0.366 108.451 108.800 0.028 0.000 2.179 88 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.260 88 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.260 88 G C 1.047 175.971 174.900 0.041 0.000 0.977 88 G CA 1.857 46.979 45.100 0.036 0.000 0.641 88 G HN 0.828 nan 8.290 nan 0.000 0.533 89 T N -2.278 112.295 114.554 0.032 0.000 2.759 89 T HA -0.128 4.222 4.350 -0.001 0.000 0.269 89 T C 2.205 176.920 174.700 0.025 0.000 1.042 89 T CA 2.591 64.709 62.100 0.029 0.000 1.140 89 T CB -0.690 68.184 68.868 0.010 0.000 0.864 89 T HN 0.376 nan 8.240 nan 0.000 0.455 90 T N 1.645 116.211 114.554 0.019 0.000 2.777 90 T HA -0.067 4.282 4.350 -0.001 0.000 0.266 90 T C 2.260 176.973 174.700 0.022 0.000 1.040 90 T CA 1.696 63.806 62.100 0.017 0.000 1.141 90 T CB -0.926 67.949 68.868 0.013 0.000 0.868 90 T HN 0.486 nan 8.240 nan 0.000 0.444 91 T N 2.151 116.721 114.554 0.025 0.000 2.622 91 T HA -0.120 4.230 4.350 -0.001 0.000 0.266 91 T C 2.389 177.109 174.700 0.033 0.000 1.047 91 T CA 1.440 63.556 62.100 0.027 0.000 1.159 91 T CB -0.760 68.124 68.868 0.027 0.000 0.863 91 T HN 0.429 nan 8.240 nan 0.000 0.422 92 A N 1.131 123.978 122.820 0.045 0.000 1.896 92 A HA -0.251 4.069 4.320 -0.001 0.000 0.220 92 A C 2.551 180.165 177.584 0.049 0.000 1.206 92 A CA 2.703 54.776 52.037 0.062 0.000 0.647 92 A CB -1.512 17.544 19.000 0.093 0.000 0.828 92 A HN 0.522 nan 8.150 nan 0.000 0.455 93 T N -0.458 114.119 114.554 0.038 0.000 2.746 93 T HA -0.106 4.244 4.350 -0.001 0.000 0.267 93 T C 1.856 176.571 174.700 0.025 0.000 1.039 93 T CA 1.603 63.721 62.100 0.029 0.000 1.142 93 T CB -0.446 68.435 68.868 0.021 0.000 0.866 93 T HN 0.214 nan 8.240 nan 0.000 0.444 94 V N 1.258 121.186 119.914 0.023 0.000 2.515 94 V HA -0.082 4.037 4.120 -0.001 0.000 0.250 94 V C 2.385 178.492 176.094 0.020 0.000 1.058 94 V CA 1.285 63.597 62.300 0.020 0.000 1.064 94 V CB -0.703 31.131 31.823 0.018 0.000 0.675 94 V HN 0.410 nan 8.190 nan 0.000 0.461 95 L N 0.087 121.324 121.223 0.024 0.000 2.023 95 L HA -0.073 4.267 4.340 -0.001 0.000 0.205 95 L C 2.818 179.703 176.870 0.025 0.000 1.073 95 L CA 1.473 56.327 54.840 0.023 0.000 0.745 95 L CB -0.838 41.236 42.059 0.025 0.000 0.900 95 L HN 0.319 nan 8.230 nan 0.000 0.435 96 A N 0.513 123.352 122.820 0.031 0.000 1.903 96 A HA -0.351 3.968 4.320 -0.001 0.000 0.219 96 A C 2.185 179.783 177.584 0.024 0.000 1.191 96 A CA 2.413 54.469 52.037 0.031 0.000 0.638 96 A CB -0.862 18.160 19.000 0.037 0.000 0.823 96 A HN 0.602 nan 8.150 nan 0.000 0.451 97 Q N -0.463 119.349 119.800 0.021 0.000 2.291 97 Q HA 0.096 4.436 4.340 -0.001 0.000 0.206 97 Q C 1.710 177.719 176.000 0.015 0.000 0.976 97 Q CA 1.995 57.808 55.803 0.017 0.000 0.875 97 Q CB -0.392 28.355 28.738 0.015 0.000 0.927 97 Q HN 0.535 nan 8.270 nan 0.000 0.450 98 A N 0.668 123.497 122.820 0.015 0.000 1.887 98 A HA 0.086 4.406 4.320 -0.001 0.000 0.212 98 A C 2.063 179.655 177.584 0.013 0.000 1.198 98 A CA 0.792 52.837 52.037 0.013 0.000 0.628 98 A CB -0.446 18.562 19.000 0.013 0.000 0.847 98 A HN 0.411 nan 8.150 nan 0.000 0.449 99 I N 0.046 120.624 120.570 0.015 0.000 2.151 99 I HA -0.320 3.850 4.170 -0.001 0.000 0.243 99 I C 2.328 178.453 176.117 0.014 0.000 1.080 99 I CA 1.606 62.914 61.300 0.014 0.000 1.339 99 I CB -0.444 37.567 38.000 0.017 0.000 1.039 99 I HN 0.300 nan 8.210 nan 0.000 0.409 100 I N 0.345 120.924 120.570 0.015 0.000 2.142 100 I HA -0.291 3.878 4.170 -0.001 0.000 0.240 100 I C 2.591 178.715 176.117 0.011 0.000 1.078 100 I CA 1.818 63.127 61.300 0.014 0.000 1.343 100 I CB -0.596 37.413 38.000 0.015 0.000 1.046 100 I HN 0.254 nan 8.210 nan 0.000 0.405 101 T N -0.146 114.414 114.554 0.010 0.000 2.720 101 T HA -0.169 4.181 4.350 -0.001 0.000 0.268 101 T C 1.834 176.538 174.700 0.007 0.000 1.037 101 T CA 1.232 63.337 62.100 0.008 0.000 1.144 101 T CB -0.166 68.706 68.868 0.008 0.000 0.864 101 T HN 0.248 nan 8.240 nan 0.000 0.444 102 E N 0.668 120.873 120.200 0.008 0.000 2.076 102 E HA 0.065 4.414 4.350 -0.001 0.000 0.190 102 E C 2.539 179.143 176.600 0.007 0.000 0.979 102 E CA 0.917 57.321 56.400 0.007 0.000 0.807 102 E CB -0.978 28.727 29.700 0.007 0.000 0.761 102 E HN 0.506 nan 8.360 nan 0.000 0.454 103 G N 1.908 110.713 108.800 0.008 0.000 2.628 103 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.217 103 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.217 103 G C 1.691 176.595 174.900 0.008 0.000 1.240 103 G CA 1.263 46.368 45.100 0.009 0.000 0.792 103 G HN 0.253 nan 8.290 nan 0.000 0.593 104 L N 0.218 121.446 121.223 0.007 0.000 2.129 104 L HA -0.108 4.232 4.340 -0.001 0.000 0.212 104 L C 2.827 179.700 176.870 0.004 0.000 1.087 104 L CA 1.515 56.359 54.840 0.006 0.000 0.757 104 L CB -0.378 41.683 42.059 0.005 0.000 0.896 104 L HN 0.236 nan 8.230 nan 0.000 0.434 105 K N 0.256 120.658 120.400 0.004 0.000 2.148 105 K HA -0.153 4.167 4.320 -0.001 0.000 0.204 105 K C 2.162 178.764 176.600 0.004 0.000 1.050 105 K CA 1.191 57.480 56.287 0.003 0.000 0.942 105 K CB -0.005 32.497 32.500 0.003 0.000 0.724 105 K HN 0.313 nan 8.250 nan 0.000 0.446 106 A N 0.418 123.241 122.820 0.005 0.000 1.897 106 A HA -0.066 4.254 4.320 -0.001 0.000 0.215 106 A C 2.148 179.735 177.584 0.005 0.000 1.181 106 A CA 1.049 53.089 52.037 0.005 0.000 0.620 106 A CB -0.435 18.569 19.000 0.005 0.000 0.821 106 A HN 0.126 nan 8.150 nan 0.000 0.443 107 V N -0.003 119.915 119.914 0.006 0.000 2.392 107 V HA -0.255 3.864 4.120 -0.001 0.000 0.249 107 V C 2.864 178.961 176.094 0.005 0.000 1.059 107 V CA 1.879 64.183 62.300 0.007 0.000 1.051 107 V CB -0.999 30.829 31.823 0.008 0.000 0.658 107 V HN 0.592 nan 8.190 nan 0.000 0.455 108 A N -0.584 122.239 122.820 0.004 0.000 2.206 108 A HA 0.267 4.587 4.320 -0.001 0.000 0.211 108 A C 2.147 179.732 177.584 0.002 0.000 1.158 108 A CA 1.160 53.198 52.037 0.002 0.000 0.761 108 A CB -0.329 18.672 19.000 0.001 0.000 0.801 108 A HN 0.539 nan 8.150 nan 0.000 0.473 109 A N -1.858 120.963 122.820 0.002 0.000 2.218 109 A HA 0.436 4.756 4.320 -0.001 0.000 0.209 109 A C 1.679 179.265 177.584 0.002 0.000 1.168 109 A CA 1.159 53.197 52.037 0.002 0.000 0.804 109 A CB -0.500 18.502 19.000 0.002 0.000 0.834 109 A HN 1.677 nan 8.150 nan 0.000 0.482 110 G N -2.048 106.754 108.800 0.003 0.000 2.179 110 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.220 110 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.220 110 G C 0.180 175.082 174.900 0.004 0.000 0.990 110 G CA 0.189 45.290 45.100 0.003 0.000 0.646 110 G HN 0.322 nan 8.290 nan 0.000 0.517 111 M N 0.929 120.531 119.600 0.004 0.000 2.250 111 M HA 0.323 4.802 4.480 -0.001 0.000 0.325 111 M C 0.768 177.072 176.300 0.006 0.000 1.084 111 M CA -0.111 55.192 55.300 0.005 0.000 1.161 111 M CB 0.314 32.917 32.600 0.005 0.000 1.481 111 M HN 0.262 nan 8.290 nan 0.000 0.449 112 N N 2.735 121.439 118.700 0.007 0.000 2.402 112 N HA 0.224 4.963 4.740 -0.001 0.000 0.252 112 N C -2.276 173.239 175.510 0.010 0.000 1.118 112 N CA -1.856 51.199 53.050 0.008 0.000 0.945 112 N CB 0.826 39.317 38.487 0.007 0.000 1.147 112 N HN 0.205 nan 8.380 nan 0.000 0.495 113 P HA -0.172 nan 4.420 nan 0.000 0.216 113 P C 1.291 178.599 177.300 0.013 0.000 1.153 113 P CA 1.120 64.228 63.100 0.013 0.000 0.858 113 P CB 0.115 31.824 31.700 0.015 0.000 0.789 114 M N -0.881 118.727 119.600 0.013 0.000 2.446 114 M HA -0.113 4.367 4.480 -0.001 0.000 0.263 114 M C 1.036 177.343 176.300 0.011 0.000 1.066 114 M CA 1.639 56.947 55.300 0.013 0.000 1.087 114 M CB -0.925 31.683 32.600 0.013 0.000 1.406 114 M HN -0.211 nan 8.290 nan 0.000 0.459 115 D N -0.786 119.620 120.400 0.010 0.000 2.201 115 D HA 0.022 4.661 4.640 -0.001 0.000 0.209 115 D C 2.011 178.316 176.300 0.009 0.000 0.961 115 D CA 0.934 54.939 54.000 0.009 0.000 0.861 115 D CB -0.165 40.640 40.800 0.007 0.000 0.997 115 D HN 0.331 nan 8.370 nan 0.000 0.486 116 L N 1.015 122.243 121.223 0.009 0.000 2.043 116 L HA -0.213 4.126 4.340 -0.001 0.000 0.212 116 L C 2.493 179.369 176.870 0.010 0.000 1.075 116 L CA 1.242 56.087 54.840 0.009 0.000 0.752 116 L CB -0.362 41.702 42.059 0.009 0.000 0.891 116 L HN 0.021 nan 8.230 nan 0.000 0.432 117 K N 0.379 120.785 120.400 0.011 0.000 2.009 117 K HA -0.213 4.107 4.320 -0.001 0.000 0.210 117 K C 2.302 178.908 176.600 0.011 0.000 1.049 117 K CA 1.517 57.812 56.287 0.013 0.000 0.929 117 K CB -0.062 32.446 32.500 0.015 0.000 0.714 117 K HN 0.175 nan 8.250 nan 0.000 0.440 118 R N -0.295 120.211 120.500 0.010 0.000 2.105 118 R HA -0.122 4.218 4.340 -0.001 0.000 0.239 118 R C 2.417 178.721 176.300 0.007 0.000 1.135 118 R CA 1.363 57.469 56.100 0.009 0.000 0.967 118 R CB -0.540 29.765 30.300 0.008 0.000 0.861 118 R HN 0.449 nan 8.270 nan 0.000 0.442 119 G N 1.522 110.326 108.800 0.007 0.000 2.464 119 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.214 119 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.214 119 G C 1.472 176.376 174.900 0.006 0.000 1.218 119 G CA 0.536 45.639 45.100 0.006 0.000 0.794 119 G HN 0.129 nan 8.290 nan 0.000 0.542 120 I N 1.361 121.936 120.570 0.007 0.000 2.121 120 I HA -0.290 3.880 4.170 -0.001 0.000 0.243 120 I C 2.408 178.529 176.117 0.006 0.000 1.047 120 I CA 1.860 63.164 61.300 0.008 0.000 1.308 120 I CB -0.161 37.845 38.000 0.011 0.000 1.015 120 I HN 0.115 nan 8.210 nan 0.000 0.410 121 D N 0.222 120.627 120.400 0.007 0.000 2.117 121 D HA -0.198 4.442 4.640 -0.001 0.000 0.197 121 D C 2.091 178.393 176.300 0.002 0.000 0.987 121 D CA 1.153 55.156 54.000 0.006 0.000 0.829 121 D CB -0.271 40.535 40.800 0.009 0.000 0.961 121 D HN 0.346 nan 8.370 nan 0.000 0.460 122 K N 0.712 121.114 120.400 0.003 0.000 2.057 122 K HA -0.069 4.250 4.320 -0.001 0.000 0.206 122 K C 2.044 178.644 176.600 0.000 0.000 1.050 122 K CA 1.119 57.407 56.287 0.002 0.000 0.935 122 K CB -0.012 32.489 32.500 0.003 0.000 0.715 122 K HN 0.001 nan 8.250 nan 0.000 0.439 123 A N 0.684 123.504 122.820 0.001 0.000 1.908 123 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 123 A C 2.219 179.801 177.584 -0.002 0.000 1.181 123 A CA 1.667 53.704 52.037 0.000 0.000 0.627 123 A CB -0.633 18.369 19.000 0.002 0.000 0.818 123 A HN 0.188 nan 8.150 nan 0.000 0.445 124 V N -0.230 119.681 119.914 -0.004 0.000 2.358 124 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 124 V C 2.706 178.792 176.094 -0.014 0.000 1.047 124 V CA 2.376 64.670 62.300 -0.010 0.000 1.035 124 V CB -1.113 30.703 31.823 -0.012 0.000 0.658 124 V HN 0.633 nan 8.190 nan 0.000 0.452 125 T N 0.310 114.857 114.554 -0.011 0.000 2.881 125 T HA -0.140 4.210 4.350 -0.001 0.000 0.270 125 T C 1.946 176.640 174.700 -0.010 0.000 1.068 125 T CA 1.491 63.584 62.100 -0.012 0.000 1.131 125 T CB -0.290 68.574 68.868 -0.007 0.000 0.871 125 T HN 0.570 nan 8.240 nan 0.000 0.479 126 A N 1.338 124.154 122.820 -0.007 0.000 1.878 126 A HA 0.432 4.752 4.320 -0.001 0.000 0.213 126 A C 2.675 180.256 177.584 -0.006 0.000 1.192 126 A CA 1.264 53.298 52.037 -0.005 0.000 0.619 126 A CB -1.101 17.897 19.000 -0.002 0.000 0.837 126 A HN 0.463 nan 8.150 nan 0.000 0.446 127 A N -0.330 122.486 122.820 -0.007 0.000 1.940 127 A HA -0.052 4.268 4.320 -0.001 0.000 0.219 127 A C 2.201 179.778 177.584 -0.012 0.000 1.176 127 A CA 1.920 53.953 52.037 -0.007 0.000 0.631 127 A CB -0.931 18.064 19.000 -0.007 0.000 0.814 127 A HN 0.383 nan 8.150 nan 0.000 0.446 128 V N -0.130 119.773 119.914 -0.018 0.000 2.343 128 V HA -0.197 3.922 4.120 -0.001 0.000 0.247 128 V C 2.625 178.709 176.094 -0.016 0.000 1.051 128 V CA 2.157 64.443 62.300 -0.024 0.000 1.036 128 V CB -0.688 31.115 31.823 -0.034 0.000 0.654 128 V HN 0.472 nan 8.190 nan 0.000 0.451 129 E N -0.052 120.141 120.200 -0.012 0.000 2.085 129 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 129 E C 2.329 178.926 176.600 -0.005 0.000 0.994 129 E CA 1.052 57.447 56.400 -0.007 0.000 0.801 129 E CB -0.292 29.405 29.700 -0.005 0.000 0.743 129 E HN 0.510 nan 8.360 nan 0.000 0.453 130 E N 0.206 120.404 120.200 -0.004 0.000 2.077 130 E HA -0.110 4.240 4.350 -0.001 0.000 0.193 130 E C 2.368 178.968 176.600 0.000 0.000 0.989 130 E CA 0.480 56.880 56.400 -0.000 0.000 0.800 130 E CB -0.258 29.443 29.700 0.001 0.000 0.746 130 E HN 0.293 nan 8.360 nan 0.000 0.452 131 L N 0.440 121.661 121.223 -0.002 0.000 2.083 131 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 131 L C 2.398 179.267 176.870 -0.002 0.000 1.083 131 L CA 1.082 55.921 54.840 -0.002 0.000 0.752 131 L CB -0.260 41.795 42.059 -0.007 0.000 0.899 131 L HN 0.008 nan 8.230 nan 0.000 0.433 132 K N 0.040 120.437 120.400 -0.004 0.000 2.152 132 K HA -0.152 4.168 4.320 -0.001 0.000 0.206 132 K C 2.105 178.705 176.600 0.000 0.000 1.048 132 K CA 1.376 57.662 56.287 -0.003 0.000 0.933 132 K CB -0.289 32.209 32.500 -0.005 0.000 0.721 132 K HN 0.323 nan 8.250 nan 0.000 0.447 133 A N 0.055 122.876 122.820 0.001 0.000 1.872 133 A HA -0.092 4.227 4.320 -0.001 0.000 0.214 133 A C 1.983 179.570 177.584 0.005 0.000 1.187 133 A CA 1.091 53.130 52.037 0.003 0.000 0.614 133 A CB -0.526 18.476 19.000 0.003 0.000 0.826 133 A HN 0.168 nan 8.150 nan 0.000 0.442 134 L N 0.416 121.643 121.223 0.007 0.000 2.131 134 L HA -0.032 4.307 4.340 -0.001 0.000 0.210 134 L C 1.759 178.635 176.870 0.010 0.000 1.092 134 L CA 1.387 56.233 54.840 0.010 0.000 0.759 134 L CB -0.548 41.519 42.059 0.012 0.000 0.903 134 L HN 0.383 nan 8.230 nan 0.000 0.435 135 S N -0.235 115.469 115.700 0.007 0.000 2.546 135 S HA 0.237 4.706 4.470 -0.001 0.000 0.290 135 S C -0.189 174.415 174.600 0.007 0.000 1.290 135 S CA -0.386 57.818 58.200 0.007 0.000 1.069 135 S CB 0.144 63.347 63.200 0.005 0.000 0.846 135 S HN 0.154 nan 8.310 nan 0.000 0.495 136 V N 3.027 122.946 119.914 0.008 0.000 2.715 136 V HA 0.739 4.858 4.120 -0.001 0.000 0.310 136 V C -2.668 173.430 176.094 0.007 0.000 1.054 136 V CA -2.724 59.580 62.300 0.008 0.000 0.928 136 V CB 0.855 32.684 31.823 0.009 0.000 1.007 136 V HN 0.699 nan 8.190 nan 0.000 0.437 137 P HA 0.192 nan 4.420 nan 0.000 0.270 137 P C -0.618 176.685 177.300 0.006 0.000 1.221 137 P CA -0.055 63.048 63.100 0.005 0.000 0.788 137 P CB 0.344 32.046 31.700 0.004 0.000 0.904 138 C N 1.794 121.098 119.300 0.005 0.000 2.660 138 C HA 0.550 5.010 4.460 -0.001 0.000 0.336 138 C C 0.961 175.954 174.990 0.004 0.000 1.058 138 C CA 0.566 59.588 59.018 0.006 0.000 1.368 138 C CB -0.731 27.014 27.740 0.007 0.000 1.884 138 C HN 0.696 nan 8.230 nan 0.000 0.454 139 S N 2.266 117.968 115.700 0.004 0.000 2.882 139 S HA 0.197 4.667 4.470 -0.001 0.000 0.258 139 S C 0.012 174.613 174.600 0.002 0.000 1.081 139 S CA 0.270 58.471 58.200 0.002 0.000 0.886 139 S CB -0.364 62.837 63.200 0.002 0.000 0.855 139 S HN 0.863 nan 8.310 nan 0.000 0.467 140 D N 2.373 122.774 120.400 0.003 0.000 2.414 140 D HA 0.240 4.879 4.640 -0.001 0.000 0.242 140 D C 0.658 176.960 176.300 0.003 0.000 1.129 140 D CA 0.056 54.057 54.000 0.002 0.000 0.885 140 D CB 1.142 41.944 40.800 0.003 0.000 1.198 140 D HN 0.105 nan 8.370 nan 0.000 0.437 141 S N 1.349 117.050 115.700 0.002 0.000 2.407 141 S HA -0.246 4.224 4.470 -0.001 0.000 0.235 141 S C 1.591 176.192 174.600 0.002 0.000 1.036 141 S CA 1.581 59.782 58.200 0.002 0.000 1.013 141 S CB -0.223 62.978 63.200 0.001 0.000 0.820 141 S HN 0.678 nan 8.310 nan 0.000 0.476 142 K N 1.060 121.462 120.400 0.002 0.000 2.025 142 K HA -0.009 4.311 4.320 -0.001 0.000 0.207 142 K C 2.249 178.851 176.600 0.003 0.000 1.049 142 K CA 1.115 57.404 56.287 0.002 0.000 0.933 142 K CB -0.354 32.147 32.500 0.002 0.000 0.714 142 K HN 0.283 nan 8.250 nan 0.000 0.438 143 A N 1.384 124.206 122.820 0.004 0.000 1.877 143 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 143 A C 2.113 179.701 177.584 0.005 0.000 1.186 143 A CA 1.515 53.555 52.037 0.005 0.000 0.620 143 A CB -0.623 18.380 19.000 0.005 0.000 0.822 143 A HN 0.361 nan 8.150 nan 0.000 0.443 144 I N -0.200 120.374 120.570 0.005 0.000 2.163 144 I HA -0.325 3.844 4.170 -0.001 0.000 0.243 144 I C 2.975 179.096 176.117 0.007 0.000 1.085 144 I CA 1.188 62.492 61.300 0.007 0.000 1.347 144 I CB -0.290 37.714 38.000 0.005 0.000 1.044 144 I HN 0.367 nan 8.210 nan 0.000 0.408 145 A N -0.260 122.563 122.820 0.005 0.000 1.978 145 A HA -0.296 4.024 4.320 -0.001 0.000 0.220 145 A C 2.217 179.804 177.584 0.004 0.000 1.170 145 A CA 1.808 53.848 52.037 0.005 0.000 0.636 145 A CB -0.592 18.410 19.000 0.003 0.000 0.810 145 A HN 0.507 nan 8.150 nan 0.000 0.448 146 Q N -0.726 119.076 119.800 0.004 0.000 2.049 146 Q HA -0.092 4.248 4.340 -0.001 0.000 0.198 146 Q C 2.327 178.329 176.000 0.004 0.000 0.971 146 Q CA 1.826 57.630 55.803 0.002 0.000 0.833 146 Q CB -0.440 28.299 28.738 0.001 0.000 0.896 146 Q HN 0.744 nan 8.270 nan 0.000 0.434 147 V N -1.132 118.786 119.914 0.008 0.000 2.287 147 V HA -0.155 3.965 4.120 -0.001 0.000 0.248 147 V C 1.971 178.074 176.094 0.014 0.000 1.053 147 V CA 2.329 64.636 62.300 0.012 0.000 1.027 147 V CB -1.576 30.257 31.823 0.015 0.000 0.646 147 V HN 0.393 nan 8.190 nan 0.000 0.447 148 G N -0.097 108.712 108.800 0.015 0.000 2.574 148 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.220 148 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.220 148 G C 1.618 176.526 174.900 0.012 0.000 1.173 148 G CA 2.037 47.147 45.100 0.017 0.000 0.772 148 G HN 0.538 nan 8.290 nan 0.000 0.585 149 T N 0.946 115.504 114.554 0.007 0.000 2.720 149 T HA -0.092 4.257 4.350 -0.001 0.000 0.268 149 T C 2.390 177.091 174.700 0.000 0.000 1.037 149 T CA 1.235 63.337 62.100 0.002 0.000 1.144 149 T CB -0.153 68.714 68.868 -0.002 0.000 0.864 149 T HN 0.153 nan 8.240 nan 0.000 0.444 150 I N 0.671 121.242 120.570 0.001 0.000 2.353 150 I HA -0.071 4.099 4.170 -0.001 0.000 0.248 150 I C 2.623 178.742 176.117 0.003 0.000 1.119 150 I CA 0.792 62.091 61.300 -0.001 0.000 1.417 150 I CB -0.421 37.578 38.000 -0.001 0.000 1.078 150 I HN 0.132 nan 8.210 nan 0.000 0.421 151 S N 0.217 115.923 115.700 0.009 0.000 2.368 151 S HA -0.073 4.397 4.470 -0.001 0.000 0.225 151 S C 1.800 176.406 174.600 0.009 0.000 1.030 151 S CA 1.215 59.422 58.200 0.013 0.000 0.999 151 S CB -0.266 62.947 63.200 0.022 0.000 0.844 151 S HN 0.431 nan 8.310 nan 0.000 0.459 152 A N 1.186 124.011 122.820 0.008 0.000 2.648 152 A HA 0.343 4.662 4.320 -0.001 0.000 0.269 152 A C 0.520 178.105 177.584 0.001 0.000 1.392 152 A CA -0.101 51.940 52.037 0.006 0.000 1.019 152 A CB -1.332 17.672 19.000 0.008 0.000 1.009 152 A HN 0.754 nan 8.150 nan 0.000 0.565 153 N N 0.373 119.073 118.700 -0.001 0.000 2.705 153 N HA -0.223 4.517 4.740 -0.001 0.000 0.255 153 N C -0.116 175.390 175.510 -0.007 0.000 1.008 153 N CA 0.461 53.508 53.050 -0.004 0.000 0.742 153 N CB -0.803 37.681 38.487 -0.004 0.000 0.906 153 N HN 0.478 nan 8.380 nan 0.000 0.541 154 S N -0.408 115.287 115.700 -0.009 0.000 3.812 154 S HA -0.192 4.277 4.470 -0.001 0.000 0.341 154 S C -0.654 173.940 174.600 -0.010 0.000 1.057 154 S CA 0.894 59.087 58.200 -0.013 0.000 1.015 154 S CB -0.668 62.520 63.200 -0.019 0.000 0.893 154 S HN 0.671 nan 8.310 nan 0.000 0.476 155 D N 0.938 121.334 120.400 -0.006 0.000 2.473 155 D HA 0.278 4.918 4.640 -0.001 0.000 0.226 155 D C 1.101 177.399 176.300 -0.003 0.000 1.089 155 D CA -0.461 53.537 54.000 -0.004 0.000 0.883 155 D CB 0.607 41.406 40.800 -0.001 0.000 1.029 155 D HN 0.391 nan 8.370 nan 0.000 0.517 156 E N 1.013 121.210 120.200 -0.005 0.000 2.171 156 E HA -0.149 4.201 4.350 -0.001 0.000 0.197 156 E C 1.195 177.795 176.600 -0.001 0.000 0.997 156 E CA 1.308 57.705 56.400 -0.004 0.000 0.810 156 E CB 0.401 30.097 29.700 -0.006 0.000 0.738 156 E HN 0.501 nan 8.360 nan 0.000 0.467 157 T N 0.404 114.957 114.554 -0.001 0.000 2.857 157 T HA -0.091 4.258 4.350 -0.001 0.000 0.266 157 T C 2.149 176.851 174.700 0.003 0.000 1.048 157 T CA 0.963 63.064 62.100 0.001 0.000 1.139 157 T CB -0.181 68.687 68.868 0.000 0.000 0.874 157 T HN -0.007 nan 8.240 nan 0.000 0.455 158 V N 1.771 121.687 119.914 0.004 0.000 2.358 158 V HA -0.063 4.056 4.120 -0.001 0.000 0.246 158 V C 2.906 179.005 176.094 0.009 0.000 1.047 158 V CA 1.837 64.142 62.300 0.008 0.000 1.035 158 V CB -1.593 30.235 31.823 0.009 0.000 0.658 158 V HN 0.571 nan 8.190 nan 0.000 0.452 159 G N 0.344 109.148 108.800 0.007 0.000 2.545 159 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.217 159 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.217 159 G C 1.559 176.463 174.900 0.006 0.000 1.218 159 G CA 1.480 46.584 45.100 0.006 0.000 0.787 159 G HN 0.461 nan 8.290 nan 0.000 0.571 160 K N -0.179 120.223 120.400 0.003 0.000 2.089 160 K HA -0.111 4.209 4.320 -0.001 0.000 0.210 160 K C 2.346 178.948 176.600 0.004 0.000 1.048 160 K CA 1.176 57.465 56.287 0.003 0.000 0.926 160 K CB -0.697 31.804 32.500 0.001 0.000 0.714 160 K HN 0.249 nan 8.250 nan 0.000 0.448 161 L N 0.453 121.679 121.223 0.005 0.000 2.056 161 L HA 0.016 4.356 4.340 -0.001 0.000 0.207 161 L C 2.100 178.974 176.870 0.007 0.000 1.078 161 L CA 1.554 56.397 54.840 0.005 0.000 0.749 161 L CB -0.503 41.560 42.059 0.007 0.000 0.901 161 L HN 0.272 nan 8.230 nan 0.000 0.433 162 I N -0.995 119.580 120.570 0.009 0.000 2.252 162 I HA -0.249 3.921 4.170 -0.001 0.000 0.245 162 I C 2.539 178.660 176.117 0.007 0.000 1.102 162 I CA 1.082 62.388 61.300 0.010 0.000 1.385 162 I CB -0.494 37.515 38.000 0.014 0.000 1.064 162 I HN 0.253 nan 8.210 nan 0.000 0.414 163 A N 0.276 123.099 122.820 0.006 0.000 1.883 163 A HA -0.278 4.042 4.320 -0.001 0.000 0.217 163 A C 2.249 179.834 177.584 0.003 0.000 1.186 163 A CA 1.961 54.000 52.037 0.004 0.000 0.624 163 A CB -0.703 18.300 19.000 0.004 0.000 0.822 163 A HN 0.437 nan 8.150 nan 0.000 0.444 164 E N -0.550 119.652 120.200 0.003 0.000 2.118 164 E HA -0.143 4.206 4.350 -0.001 0.000 0.195 164 E C 2.337 178.938 176.600 0.001 0.000 0.992 164 E CA 0.888 57.289 56.400 0.002 0.000 0.804 164 E CB -0.269 29.432 29.700 0.002 0.000 0.741 164 E HN 0.634 nan 8.360 nan 0.000 0.458 165 A N 1.128 123.949 122.820 0.002 0.000 1.841 165 A HA -0.231 4.089 4.320 -0.001 0.000 0.216 165 A C 2.172 179.757 177.584 0.000 0.000 1.199 165 A CA 1.711 53.749 52.037 0.002 0.000 0.621 165 A CB -0.593 18.409 19.000 0.004 0.000 0.835 165 A HN 0.156 nan 8.150 nan 0.000 0.445 166 M N -0.940 118.660 119.600 -0.000 0.000 2.202 166 M HA -0.197 4.282 4.480 -0.001 0.000 0.262 166 M C 1.841 178.140 176.300 -0.002 0.000 1.063 166 M CA 2.004 57.303 55.300 -0.002 0.000 1.097 166 M CB -0.617 31.982 32.600 -0.002 0.000 1.382 166 M HN 0.552 nan 8.290 nan 0.000 0.413 167 D N 0.318 120.717 120.400 -0.001 0.000 2.149 167 D HA -0.156 4.484 4.640 -0.001 0.000 0.198 167 D C 1.904 178.203 176.300 -0.001 0.000 0.990 167 D CA 1.382 55.382 54.000 -0.001 0.000 0.839 167 D CB 0.236 41.036 40.800 -0.000 0.000 0.948 167 D HN 0.164 nan 8.370 nan 0.000 0.460 168 K N -0.913 119.486 120.400 -0.001 0.000 2.202 168 K HA 0.048 4.368 4.320 -0.001 0.000 0.201 168 K C 1.939 178.538 176.600 -0.001 0.000 1.051 168 K CA 0.699 56.985 56.287 -0.001 0.000 0.977 168 K CB 0.402 32.902 32.500 -0.001 0.000 0.792 168 K HN 0.119 nan 8.250 nan 0.000 0.469 169 V N -2.606 117.307 119.914 -0.002 0.000 2.788 169 V HA 0.299 4.419 4.120 -0.001 0.000 0.251 169 V C 1.028 177.120 176.094 -0.003 0.000 1.068 169 V CA 0.686 62.984 62.300 -0.002 0.000 1.090 169 V CB -0.856 30.965 31.823 -0.002 0.000 0.710 169 V HN 0.365 nan 8.190 nan 0.000 0.467 170 G N 0.347 109.145 108.800 -0.004 0.000 2.472 170 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.205 170 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.205 170 G C 0.166 175.062 174.900 -0.006 0.000 1.270 170 G CA 0.199 45.296 45.100 -0.004 0.000 0.974 170 G HN 0.285 nan 8.290 nan 0.000 0.542 171 K N 0.053 120.449 120.400 -0.007 0.000 2.202 171 K HA 0.164 4.484 4.320 -0.001 0.000 0.201 171 K C 1.581 178.175 176.600 -0.011 0.000 1.051 171 K CA 0.890 57.172 56.287 -0.008 0.000 0.977 171 K CB 0.110 32.606 32.500 -0.007 0.000 0.792 171 K HN 0.440 nan 8.250 nan 0.000 0.469 172 E N 0.986 121.180 120.200 -0.010 0.000 2.320 172 E HA 0.061 4.411 4.350 -0.001 0.000 0.189 172 E C 0.024 176.617 176.600 -0.012 0.000 1.100 172 E CA -0.129 56.264 56.400 -0.012 0.000 1.009 172 E CB 0.662 30.355 29.700 -0.011 0.000 1.145 172 E HN 0.198 nan 8.360 nan 0.000 0.454 173 G N 0.277 109.070 108.800 -0.011 0.000 2.453 173 G HA2 0.447 4.407 3.960 -0.001 0.000 0.323 173 G HA3 0.447 4.407 3.960 -0.001 0.000 0.323 173 G C -0.400 174.493 174.900 -0.012 0.000 1.198 173 G CA -0.456 44.639 45.100 -0.009 0.000 0.959 173 G HN -0.026 nan 8.290 nan 0.000 0.482 174 V N 1.014 120.923 119.914 -0.009 0.000 2.532 174 V HA 0.542 4.662 4.120 -0.001 0.000 0.295 174 V C -0.159 175.932 176.094 -0.005 0.000 1.041 174 V CA -0.547 61.748 62.300 -0.009 0.000 0.926 174 V CB 1.412 33.232 31.823 -0.005 0.000 0.992 174 V HN 0.573 nan 8.190 nan 0.000 0.457 175 I N 3.521 124.087 120.570 -0.007 0.000 2.439 175 I HA 0.485 4.654 4.170 -0.001 0.000 0.285 175 I C 0.179 176.300 176.117 0.007 0.000 1.021 175 I CA -0.113 61.188 61.300 0.000 0.000 1.091 175 I CB 2.227 40.226 38.000 -0.001 0.000 1.242 175 I HN 0.787 nan 8.210 nan 0.000 0.439 176 T N 2.793 117.356 114.554 0.015 0.000 2.950 176 T HA 0.731 5.081 4.350 -0.001 0.000 0.288 176 T C -0.588 174.128 174.700 0.027 0.000 1.035 176 T CA -0.944 61.171 62.100 0.025 0.000 1.028 176 T CB 2.426 71.310 68.868 0.027 0.000 1.109 176 T HN 0.320 nan 8.240 nan 0.000 0.514 177 V N 1.103 121.037 119.914 0.034 0.000 2.577 177 V HA 0.686 4.806 4.120 -0.001 0.000 0.303 177 V C -1.406 174.705 176.094 0.028 0.000 1.042 177 V CA -0.522 61.797 62.300 0.031 0.000 0.872 177 V CB 1.314 33.160 31.823 0.038 0.000 0.998 177 V HN 1.108 nan 8.190 nan 0.000 0.423 178 E N 3.660 123.873 120.200 0.021 0.000 2.423 178 E HA 0.547 4.897 4.350 -0.001 0.000 0.269 178 E C -1.663 174.946 176.600 0.014 0.000 0.948 178 E CA -1.143 55.268 56.400 0.018 0.000 0.802 178 E CB 1.185 30.895 29.700 0.017 0.000 1.339 178 E HN 0.590 nan 8.360 nan 0.000 0.445 179 D N 0.854 121.261 120.400 0.012 0.000 2.425 179 D HA 0.255 4.894 4.640 -0.001 0.000 0.247 179 D C 0.100 176.405 176.300 0.007 0.000 1.147 179 D CA 0.259 54.265 54.000 0.010 0.000 0.879 179 D CB 1.064 41.869 40.800 0.009 0.000 1.179 179 D HN 0.523 nan 8.370 nan 0.000 0.456 180 G N 0.068 108.872 108.800 0.006 0.000 2.502 180 G HA2 0.363 4.322 3.960 -0.001 0.000 0.305 180 G HA3 0.363 4.322 3.960 -0.001 0.000 0.305 180 G C 1.070 175.972 174.900 0.003 0.000 1.190 180 G CA -0.290 44.812 45.100 0.004 0.000 0.933 180 G HN 0.414 nan 8.290 nan 0.000 0.503 181 T N -1.546 113.008 114.554 0.001 0.000 2.901 181 T HA 0.215 4.564 4.350 -0.001 0.000 0.252 181 T C 1.597 176.297 174.700 0.001 0.000 1.035 181 T CA 0.916 63.016 62.100 0.001 0.000 1.142 181 T CB -0.495 68.372 68.868 -0.000 0.000 0.869 181 T HN 0.725 nan 8.240 nan 0.000 0.442 182 G N 0.632 109.432 108.800 0.000 0.000 2.489 182 G HA2 0.477 4.437 3.960 -0.001 0.000 0.271 182 G HA3 0.477 4.437 3.960 -0.001 0.000 0.271 182 G C 0.576 175.477 174.900 0.001 0.000 1.427 182 G CA -0.579 44.521 45.100 0.000 0.000 1.057 182 G HN 0.322 nan 8.290 nan 0.000 0.532 183 L N -0.739 120.484 121.223 0.000 0.000 2.416 183 L HA 0.126 4.465 4.340 -0.001 0.000 0.216 183 L C 0.586 177.456 176.870 0.001 0.000 1.098 183 L CA 0.690 55.530 54.840 0.000 0.000 0.840 183 L CB -0.205 41.854 42.059 -0.000 0.000 0.981 183 L HN 0.514 nan 8.230 nan 0.000 0.462 184 Q N -0.564 119.236 119.800 0.001 0.000 2.257 184 Q HA 0.312 4.651 4.340 -0.001 0.000 0.262 184 Q C -0.685 175.316 176.000 0.002 0.000 0.997 184 Q CA -0.712 55.091 55.803 0.001 0.000 0.873 184 Q CB 0.861 29.599 28.738 0.000 0.000 1.312 184 Q HN -0.010 nan 8.270 nan 0.000 0.450 185 D N 1.075 121.477 120.400 0.002 0.000 2.382 185 D HA 0.107 4.747 4.640 -0.001 0.000 0.240 185 D C -0.520 175.782 176.300 0.003 0.000 1.146 185 D CA 0.193 54.195 54.000 0.003 0.000 0.897 185 D CB 0.960 41.763 40.800 0.004 0.000 1.197 185 D HN 0.577 nan 8.370 nan 0.000 0.432 186 E N 0.652 120.854 120.200 0.003 0.000 2.304 186 E HA 0.317 4.667 4.350 -0.001 0.000 0.277 186 E C -1.883 174.719 176.600 0.003 0.000 0.898 186 E CA -0.756 55.645 56.400 0.002 0.000 0.764 186 E CB 1.807 31.507 29.700 0.001 0.000 1.216 186 E HN 0.170 nan 8.360 nan 0.000 0.419 187 L N 4.099 125.323 121.223 0.002 0.000 2.296 187 L HA 0.516 4.855 4.340 -0.001 0.000 0.286 187 L C -1.377 175.494 176.870 0.000 0.000 1.023 187 L CA -0.126 54.715 54.840 0.002 0.000 0.812 187 L CB 1.362 43.423 42.059 0.002 0.000 1.223 187 L HN 0.426 nan 8.230 nan 0.000 0.421 188 D N 4.475 124.875 120.400 0.001 0.000 2.391 188 D HA 0.438 5.078 4.640 -0.001 0.000 0.245 188 D C -1.041 175.258 176.300 -0.001 0.000 1.069 188 D CA -0.057 53.942 54.000 -0.002 0.000 0.831 188 D CB 2.527 43.326 40.800 -0.003 0.000 1.204 188 D HN 0.272 nan 8.370 nan 0.000 0.503 189 V N 2.524 122.437 119.914 -0.002 0.000 2.448 189 V HA 0.291 4.410 4.120 -0.001 0.000 0.295 189 V C 0.080 176.172 176.094 -0.003 0.000 1.025 189 V CA -0.825 61.474 62.300 -0.002 0.000 0.859 189 V CB 2.050 33.873 31.823 -0.001 0.000 0.988 189 V HN 0.268 nan 8.190 nan 0.000 0.431 190 V N 4.536 124.449 119.914 -0.002 0.000 2.350 190 V HA 0.395 4.515 4.120 -0.001 0.000 0.276 190 V C 0.237 176.331 176.094 0.000 0.000 1.028 190 V CA -0.699 61.599 62.300 -0.003 0.000 0.860 190 V CB 1.154 32.975 31.823 -0.004 0.000 0.990 190 V HN 0.784 nan 8.190 nan 0.000 0.453 191 E N 2.994 123.193 120.200 -0.001 0.000 2.331 191 E HA 0.524 4.874 4.350 -0.001 0.000 0.272 191 E C 0.895 177.499 176.600 0.006 0.000 1.036 191 E CA 0.881 57.282 56.400 0.001 0.000 0.864 191 E CB 1.682 31.381 29.700 -0.001 0.000 1.035 191 E HN 0.951 nan 8.360 nan 0.000 0.408 192 G N 2.588 111.393 108.800 0.009 0.000 2.547 192 G HA2 -0.319 3.640 3.960 -0.001 0.000 0.271 192 G HA3 -0.319 3.640 3.960 -0.001 0.000 0.271 192 G C -0.127 174.789 174.900 0.026 0.000 1.209 192 G CA 0.309 45.418 45.100 0.016 0.000 0.959 192 G HN 0.535 nan 8.290 nan 0.000 0.563 193 M N 0.981 120.607 119.600 0.043 0.000 2.364 193 M HA 0.676 5.156 4.480 -0.001 0.000 0.334 193 M C -0.411 175.950 176.300 0.102 0.000 1.107 193 M CA -0.567 54.777 55.300 0.073 0.000 0.988 193 M CB 1.568 34.219 32.600 0.085 0.000 1.673 193 M HN 0.902 nan 8.290 nan 0.000 0.441 194 Q N 4.581 124.450 119.800 0.117 0.000 2.377 194 Q HA 0.603 4.942 4.340 -0.001 0.000 0.279 194 Q C -2.230 173.872 176.000 0.171 0.000 1.049 194 Q CA -0.693 55.157 55.803 0.078 0.000 0.825 194 Q CB 2.374 31.100 28.738 -0.020 0.000 1.401 194 Q HN 0.735 nan 8.270 nan 0.000 0.404 195 F N -0.604 119.336 119.950 -0.016 0.000 2.613 195 F HA 0.506 5.033 4.527 -0.001 0.000 0.314 195 F C -0.767 175.021 175.800 -0.019 0.000 1.075 195 F CA -1.223 56.765 58.000 -0.021 0.000 0.945 195 F CB 1.098 40.080 39.000 -0.029 0.000 1.310 195 F HN 0.321 nan 8.300 nan 0.000 0.467 196 D N 2.562 123.032 120.400 0.116 0.000 2.441 196 D HA 0.219 4.858 4.640 -0.001 0.000 0.243 196 D C -0.479 175.844 176.300 0.038 0.000 1.257 196 D CA 0.497 54.513 54.000 0.026 0.000 1.027 196 D CB 0.236 41.075 40.800 0.066 0.000 1.084 196 D HN 0.384 nan 8.370 nan 0.000 0.514 197 R N 0.576 121.006 120.500 -0.116 0.000 2.523 197 R HA 0.422 4.762 4.340 -0.001 0.000 0.278 197 R C -0.606 175.588 176.300 -0.176 0.000 1.150 197 R CA -0.579 55.480 56.100 -0.068 0.000 0.987 197 R CB 1.359 31.737 30.300 0.130 0.000 1.232 197 R HN 0.278 nan 8.270 nan 0.000 0.424 198 G N 2.144 110.848 108.800 -0.159 0.000 2.462 198 G HA2 0.404 4.363 3.960 -0.001 0.000 0.319 198 G HA3 0.404 4.363 3.960 -0.001 0.000 0.319 198 G C -0.838 173.958 174.900 -0.173 0.000 1.171 198 G CA -0.583 44.338 45.100 -0.298 0.000 0.920 198 G HN 0.522 nan 8.290 nan 0.000 0.499 199 Y N -0.610 119.699 120.300 0.014 0.000 2.702 199 Y HA 0.263 4.813 4.550 -0.001 0.000 0.336 199 Y C 1.103 177.027 175.900 0.039 0.000 1.235 199 Y CA -0.967 57.164 58.100 0.051 0.000 1.492 199 Y CB 0.325 38.835 38.460 0.085 0.000 1.308 199 Y HN 0.211 nan 8.280 nan 0.000 0.589 200 L N 1.681 123.059 121.223 0.260 0.000 2.375 200 L HA 0.052 4.392 4.340 -0.001 0.000 0.215 200 L C 1.104 178.076 176.870 0.170 0.000 1.108 200 L CA 0.889 55.832 54.840 0.172 0.000 0.830 200 L CB 0.015 42.140 42.059 0.110 0.000 0.959 200 L HN 0.753 nan 8.230 nan 0.000 0.457 201 S N 0.854 116.661 115.700 0.178 0.000 2.528 201 S HA 0.298 4.768 4.470 -0.001 0.000 0.303 201 S C -1.529 173.034 174.600 -0.061 0.000 1.123 201 S CA -1.565 56.688 58.200 0.087 0.000 1.138 201 S CB 0.789 64.028 63.200 0.065 0.000 0.984 201 S HN -0.063 nan 8.310 nan 0.000 0.474 202 P HA -0.060 nan 4.420 nan 0.000 0.223 202 P C 0.159 177.179 177.300 -0.466 0.000 1.151 202 P CA 0.782 63.589 63.100 -0.488 0.000 0.787 202 P CB -0.178 31.307 31.700 -0.359 0.000 0.788 203 Y N -1.450 118.804 120.300 -0.076 0.000 2.581 203 Y HA 0.193 4.742 4.550 -0.001 0.000 0.346 203 Y C 1.738 177.671 175.900 0.055 0.000 1.147 203 Y CA 0.001 58.086 58.100 -0.024 0.000 1.353 203 Y CB -1.282 37.179 38.460 0.002 0.000 1.187 203 Y HN -0.010 nan 8.280 nan 0.000 0.505 204 F N -1.020 118.849 119.950 -0.134 0.000 2.778 204 F HA 0.300 4.827 4.527 -0.001 0.000 0.314 204 F C 0.654 176.374 175.800 -0.134 0.000 1.073 204 F CA -0.294 57.640 58.000 -0.110 0.000 1.218 204 F CB 0.561 39.495 39.000 -0.110 0.000 1.037 204 F HN -0.189 nan 8.300 nan 0.000 0.594 205 I N 4.435 124.807 120.570 -0.331 0.000 3.247 205 I HA -0.261 3.909 4.170 -0.001 0.000 0.309 205 I C 0.879 176.827 176.117 -0.283 0.000 1.246 205 I CA 0.557 61.651 61.300 -0.344 0.000 1.384 205 I CB 0.008 37.866 38.000 -0.236 0.000 1.401 205 I HN 0.401 nan 8.210 nan 0.000 0.520 206 N N 6.626 125.107 118.700 -0.365 0.000 2.314 206 N HA -0.006 4.734 4.740 -0.001 0.000 0.200 206 N C -0.130 175.295 175.510 -0.142 0.000 1.135 206 N CA 0.065 52.971 53.050 -0.241 0.000 0.835 206 N CB 0.532 38.848 38.487 -0.285 0.000 0.989 206 N HN 0.477 nan 8.380 nan 0.000 0.478 207 K N 0.999 121.324 120.400 -0.124 0.000 2.803 207 K HA 0.263 4.583 4.320 -0.001 0.000 0.229 207 K C -2.349 174.217 176.600 -0.056 0.000 1.084 207 K CA -1.181 55.061 56.287 -0.075 0.000 1.063 207 K CB 2.340 34.801 32.500 -0.065 0.000 1.254 207 K HN -0.136 nan 8.250 nan 0.000 0.551 208 P HA -0.093 nan 4.420 nan 0.000 0.231 208 P C 0.587 177.876 177.300 -0.018 0.000 1.158 208 P CA 0.929 64.011 63.100 -0.029 0.000 0.763 208 P CB 0.557 32.244 31.700 -0.021 0.000 0.805 209 E N -0.709 119.479 120.200 -0.019 0.000 2.028 209 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 209 E C 1.929 178.523 176.600 -0.010 0.000 0.988 209 E CA 2.002 58.394 56.400 -0.013 0.000 0.799 209 E CB -1.178 28.513 29.700 -0.015 0.000 0.755 209 E HN 0.338 nan 8.360 nan 0.000 0.447 210 T N -3.401 111.146 114.554 -0.012 0.000 3.057 210 T HA 0.249 4.598 4.350 -0.001 0.000 0.254 210 T C 1.462 176.165 174.700 0.006 0.000 1.094 210 T CA 0.257 62.353 62.100 -0.006 0.000 1.088 210 T CB 0.239 69.101 68.868 -0.011 0.000 0.934 210 T HN 0.281 nan 8.240 nan 0.000 0.497 211 G N 1.184 109.988 108.800 0.006 0.000 2.256 211 G HA2 0.194 4.154 3.960 -0.001 0.000 0.272 211 G HA3 0.194 4.154 3.960 -0.001 0.000 0.272 211 G C 0.020 174.969 174.900 0.082 0.000 1.076 211 G CA -0.121 44.998 45.100 0.031 0.000 0.882 211 G HN 1.236 nan 8.290 nan 0.000 0.497 212 A N -1.293 121.549 122.820 0.036 0.000 2.556 212 A HA 0.886 5.206 4.320 -0.001 0.000 0.294 212 A C -0.356 177.206 177.584 -0.038 0.000 1.091 212 A CA -0.320 51.756 52.037 0.064 0.000 0.704 212 A CB 1.964 20.983 19.000 0.032 0.000 1.300 212 A HN 1.292 nan 8.150 nan 0.000 0.406 213 V N 1.328 121.220 119.914 -0.036 0.000 2.407 213 V HA 0.342 4.462 4.120 -0.001 0.000 0.278 213 V C -0.090 175.938 176.094 -0.109 0.000 1.037 213 V CA -0.040 62.152 62.300 -0.180 0.000 0.900 213 V CB 1.028 32.719 31.823 -0.219 0.000 0.983 213 V HN 0.871 nan 8.190 nan 0.000 0.459 214 E N 5.348 125.468 120.200 -0.134 0.000 2.376 214 E HA 0.374 4.723 4.350 -0.001 0.000 0.236 214 E C -0.986 175.580 176.600 -0.058 0.000 0.962 214 E CA -0.308 56.049 56.400 -0.072 0.000 0.768 214 E CB 1.140 30.803 29.700 -0.061 0.000 1.236 214 E HN 0.579 nan 8.360 nan 0.000 0.431 215 L N 2.762 123.972 121.223 -0.022 0.000 2.315 215 L HA 0.202 4.541 4.340 -0.001 0.000 0.283 215 L C 0.412 177.286 176.870 0.007 0.000 1.089 215 L CA -0.376 54.473 54.840 0.015 0.000 0.833 215 L CB 0.327 42.430 42.059 0.074 0.000 1.170 215 L HN 0.371 nan 8.230 nan 0.000 0.442 216 E N 3.262 123.462 120.200 0.000 0.000 2.180 216 E HA 0.045 4.394 4.350 -0.001 0.000 0.283 216 E C 0.409 176.995 176.600 -0.023 0.000 1.061 216 E CA 0.006 56.398 56.400 -0.012 0.000 0.861 216 E CB 0.759 30.451 29.700 -0.012 0.000 1.056 216 E HN 0.492 nan 8.360 nan 0.000 0.407 217 S N 4.609 120.285 115.700 -0.040 0.000 3.405 217 S HA -0.115 4.354 4.470 -0.001 0.000 0.373 217 S C -2.452 172.072 174.600 -0.127 0.000 0.939 217 S CA 0.359 58.512 58.200 -0.079 0.000 1.295 217 S CB -0.871 62.279 63.200 -0.084 0.000 0.919 217 S HN 0.524 nan 8.310 nan 0.000 0.535 218 P HA 0.613 nan 4.420 nan 0.000 0.286 218 P C -0.074 177.133 177.300 -0.154 0.000 1.292 218 P CA -0.880 62.175 63.100 -0.075 0.000 0.842 218 P CB 0.457 32.183 31.700 0.044 0.000 1.207 219 F N -0.426 119.548 119.950 0.039 0.000 2.370 219 F HA 0.434 4.960 4.527 -0.001 0.000 0.324 219 F C 0.742 176.566 175.800 0.040 0.000 1.116 219 F CA 0.083 58.103 58.000 0.033 0.000 1.123 219 F CB 0.420 39.436 39.000 0.026 0.000 1.238 219 F HN 0.007 nan 8.300 nan 0.000 0.536 220 I N 2.968 123.696 120.570 0.262 0.000 2.478 220 I HA 0.278 4.448 4.170 -0.001 0.000 0.287 220 I C -1.376 174.814 176.117 0.121 0.000 1.042 220 I CA -0.695 60.699 61.300 0.157 0.000 1.067 220 I CB 1.871 39.940 38.000 0.113 0.000 1.233 220 I HN 0.262 nan 8.210 nan 0.000 0.431 221 L N 7.770 129.046 121.223 0.089 0.000 2.282 221 L HA 0.550 4.889 4.340 -0.001 0.000 0.288 221 L C -1.120 175.772 176.870 0.037 0.000 1.033 221 L CA -0.078 54.792 54.840 0.050 0.000 0.807 221 L CB 0.933 43.011 42.059 0.031 0.000 1.209 221 L HN 0.473 nan 8.230 nan 0.000 0.423 222 L N 6.481 127.717 121.223 0.021 0.000 2.297 222 L HA 0.591 4.931 4.340 -0.001 0.000 0.277 222 L C -0.006 176.863 176.870 -0.002 0.000 1.040 222 L CA -0.564 54.278 54.840 0.004 0.000 0.867 222 L CB 1.123 43.178 42.059 -0.008 0.000 1.244 222 L HN 0.808 nan 8.230 nan 0.000 0.433 223 A N 1.455 124.275 122.820 -0.000 0.000 2.260 223 A HA 0.205 4.525 4.320 -0.001 0.000 0.312 223 A C 0.635 178.215 177.584 -0.007 0.000 1.321 223 A CA -0.517 51.519 52.037 -0.002 0.000 0.928 223 A CB 0.693 19.695 19.000 0.003 0.000 1.158 223 A HN 0.773 nan 8.150 nan 0.000 0.542 224 D N 2.429 122.823 120.400 -0.010 0.000 2.097 224 D HA -0.113 4.526 4.640 -0.001 0.000 0.195 224 D C 0.957 177.254 176.300 -0.005 0.000 0.989 224 D CA 1.750 55.743 54.000 -0.012 0.000 0.827 224 D CB 0.008 40.800 40.800 -0.013 0.000 0.966 224 D HN 0.668 nan 8.370 nan 0.000 0.456 225 K N 0.489 120.888 120.400 -0.002 0.000 2.149 225 K HA 0.132 4.452 4.320 -0.001 0.000 0.245 225 K C -0.084 176.520 176.600 0.007 0.000 1.024 225 K CA -0.494 55.794 56.287 0.003 0.000 0.899 225 K CB 0.161 32.662 32.500 0.002 0.000 1.038 225 K HN -0.026 nan 8.250 nan 0.000 0.496 226 K N 0.916 121.322 120.400 0.010 0.000 2.172 226 K HA 0.344 4.663 4.320 -0.001 0.000 0.276 226 K C -0.679 175.927 176.600 0.011 0.000 1.013 226 K CA -0.530 55.765 56.287 0.014 0.000 0.913 226 K CB 0.704 33.215 32.500 0.018 0.000 1.055 226 K HN 0.505 nan 8.250 nan 0.000 0.461 227 I N 1.806 122.383 120.570 0.012 0.000 2.440 227 I HA 0.035 4.205 4.170 -0.001 0.000 0.294 227 I C 0.870 176.993 176.117 0.010 0.000 0.995 227 I CA -0.082 61.224 61.300 0.009 0.000 1.306 227 I CB 1.788 39.792 38.000 0.007 0.000 1.407 227 I HN 0.914 nan 8.210 nan 0.000 0.501 228 S N 2.966 118.670 115.700 0.007 0.000 2.617 228 S HA 0.241 4.711 4.470 -0.001 0.000 0.278 228 S C -0.320 174.282 174.600 0.003 0.000 1.082 228 S CA -0.274 57.930 58.200 0.007 0.000 1.228 228 S CB 0.137 63.342 63.200 0.008 0.000 1.130 228 S HN 0.748 nan 8.310 nan 0.000 0.621 229 N N 1.297 119.998 118.700 0.000 0.000 2.321 229 N HA 0.420 5.160 4.740 -0.001 0.000 0.299 229 N C 0.061 175.568 175.510 -0.006 0.000 1.048 229 N CA -0.619 52.430 53.050 -0.003 0.000 0.836 229 N CB 1.280 39.766 38.487 -0.003 0.000 1.269 229 N HN 0.019 nan 8.380 nan 0.000 0.486 230 I N 1.261 121.826 120.570 -0.008 0.000 2.756 230 I HA -0.037 4.132 4.170 -0.001 0.000 0.262 230 I C 2.122 178.232 176.117 -0.013 0.000 1.225 230 I CA 1.089 62.382 61.300 -0.012 0.000 1.472 230 I CB -0.190 37.801 38.000 -0.014 0.000 1.094 230 I HN 0.573 nan 8.210 nan 0.000 0.454 231 R N 0.549 121.042 120.500 -0.011 0.000 2.097 231 R HA -0.254 4.086 4.340 -0.001 0.000 0.236 231 R C 2.063 178.356 176.300 -0.013 0.000 1.135 231 R CA 2.278 58.371 56.100 -0.011 0.000 0.934 231 R CB -0.259 30.036 30.300 -0.009 0.000 0.846 231 R HN 0.351 nan 8.270 nan 0.000 0.431 232 E N -0.524 119.669 120.200 -0.012 0.000 2.267 232 E HA -0.189 4.161 4.350 -0.001 0.000 0.197 232 E C 1.844 178.434 176.600 -0.017 0.000 0.998 232 E CA 1.233 57.625 56.400 -0.013 0.000 0.830 232 E CB 0.056 29.750 29.700 -0.010 0.000 0.751 232 E HN 0.299 nan 8.360 nan 0.000 0.491 233 M N -0.387 119.202 119.600 -0.018 0.000 2.193 233 M HA -0.013 4.467 4.480 -0.001 0.000 0.265 233 M C 2.156 178.440 176.300 -0.027 0.000 1.071 233 M CA 1.065 56.351 55.300 -0.023 0.000 1.140 233 M CB -0.878 31.708 32.600 -0.023 0.000 1.369 233 M HN 0.156 nan 8.290 nan 0.000 0.423 234 L N 0.011 121.220 121.223 -0.024 0.000 2.030 234 L HA -0.285 4.054 4.340 -0.001 0.000 0.222 234 L C -0.328 176.525 176.870 -0.029 0.000 1.082 234 L CA 2.094 56.920 54.840 -0.024 0.000 0.785 234 L CB -2.412 39.636 42.059 -0.019 0.000 0.895 234 L HN 0.181 nan 8.230 nan 0.000 0.439 235 P HA -0.156 nan 4.420 nan 0.000 0.214 235 P C 1.815 179.087 177.300 -0.048 0.000 1.163 235 P CA 1.486 64.566 63.100 -0.034 0.000 0.889 235 P CB 0.010 31.691 31.700 -0.031 0.000 0.790 236 V N -1.011 118.871 119.914 -0.054 0.000 2.346 236 V HA -0.124 3.996 4.120 -0.001 0.000 0.244 236 V C 2.482 178.527 176.094 -0.082 0.000 1.037 236 V CA 1.043 63.296 62.300 -0.078 0.000 1.029 236 V CB -1.408 30.369 31.823 -0.076 0.000 0.663 236 V HN 0.010 nan 8.190 nan 0.000 0.454 237 L N 0.280 121.469 121.223 -0.057 0.000 2.129 237 L HA -0.250 4.090 4.340 -0.001 0.000 0.212 237 L C 2.632 179.476 176.870 -0.043 0.000 1.087 237 L CA 1.921 56.734 54.840 -0.045 0.000 0.757 237 L CB -0.159 41.880 42.059 -0.034 0.000 0.896 237 L HN 0.417 nan 8.230 nan 0.000 0.434 238 E N -0.095 120.078 120.200 -0.044 0.000 2.028 238 E HA -0.193 4.156 4.350 -0.001 0.000 0.191 238 E C 2.066 178.638 176.600 -0.046 0.000 0.988 238 E CA 1.585 57.963 56.400 -0.037 0.000 0.799 238 E CB -0.274 29.407 29.700 -0.032 0.000 0.755 238 E HN 0.445 nan 8.360 nan 0.000 0.447 239 A N 0.096 122.872 122.820 -0.072 0.000 2.019 239 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 239 A C 2.399 179.914 177.584 -0.115 0.000 1.164 239 A CA 1.627 53.608 52.037 -0.094 0.000 0.644 239 A CB -0.545 18.379 19.000 -0.127 0.000 0.805 239 A HN 0.206 nan 8.150 nan 0.000 0.449 240 V N -0.553 119.285 119.914 -0.127 0.000 2.591 240 V HA -0.128 3.991 4.120 -0.001 0.000 0.249 240 V C 2.916 179.017 176.094 0.013 0.000 1.053 240 V CA 1.523 63.772 62.300 -0.085 0.000 1.068 240 V CB -1.107 30.674 31.823 -0.070 0.000 0.689 240 V HN 0.570 nan 8.190 nan 0.000 0.462 241 A N -0.088 122.731 122.820 -0.002 0.000 2.015 241 A HA -0.141 4.178 4.320 -0.001 0.000 0.219 241 A C 2.069 179.665 177.584 0.021 0.000 1.163 241 A CA 1.385 53.430 52.037 0.015 0.000 0.646 241 A CB -0.274 18.727 19.000 0.002 0.000 0.806 241 A HN 0.548 nan 8.150 nan 0.000 0.448 242 K N -0.916 119.491 120.400 0.011 0.000 2.437 242 K HA 0.408 4.727 4.320 -0.001 0.000 0.205 242 K C 1.008 177.628 176.600 0.033 0.000 1.026 242 K CA 0.416 56.713 56.287 0.016 0.000 1.153 242 K CB 0.406 32.908 32.500 0.003 0.000 0.863 242 K HN 0.385 nan 8.250 nan 0.000 0.502 243 A N -0.149 122.706 122.820 0.058 0.000 2.211 243 A HA 0.395 4.714 4.320 -0.001 0.000 0.208 243 A C 1.457 179.118 177.584 0.128 0.000 1.250 243 A CA 0.702 52.805 52.037 0.110 0.000 0.935 243 A CB 0.242 19.344 19.000 0.171 0.000 0.982 243 A HN 0.323 nan 8.150 nan 0.000 0.490 244 G N 0.094 108.958 108.800 0.108 0.000 2.579 244 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.222 244 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.222 244 G C 0.438 175.403 174.900 0.109 0.000 1.201 244 G CA 0.388 45.542 45.100 0.090 0.000 0.710 244 G HN 0.567 nan 8.290 nan 0.000 0.516 245 K N 2.412 122.903 120.400 0.151 0.000 2.485 245 K HA 0.387 4.706 4.320 -0.001 0.000 0.277 245 K C -1.960 174.750 176.600 0.183 0.000 0.990 245 K CA -0.712 55.650 56.287 0.124 0.000 0.994 245 K CB 0.531 33.047 32.500 0.025 0.000 0.906 245 K HN 0.239 nan 8.250 nan 0.000 0.488 246 P HA 0.075 nan 4.420 nan 0.000 0.275 246 P C -1.284 176.140 177.300 0.207 0.000 1.270 246 P CA -0.455 62.740 63.100 0.157 0.000 0.791 246 P CB 0.456 32.236 31.700 0.133 0.000 1.089 247 L N 0.224 121.560 121.223 0.187 0.000 2.470 247 L HA 0.549 4.888 4.340 -0.001 0.000 0.268 247 L C -1.737 175.224 176.870 0.152 0.000 0.964 247 L CA -0.846 54.106 54.840 0.187 0.000 0.839 247 L CB 1.637 43.786 42.059 0.149 0.000 1.276 247 L HN 0.096 nan 8.230 nan 0.000 0.403 248 L N 5.930 127.246 121.223 0.154 0.000 2.307 248 L HA 0.678 5.018 4.340 -0.001 0.000 0.282 248 L C -1.103 175.835 176.870 0.114 0.000 1.051 248 L CA 0.121 55.047 54.840 0.144 0.000 0.804 248 L CB 1.249 43.398 42.059 0.151 0.000 1.197 248 L HN 0.613 nan 8.230 nan 0.000 0.431 249 I N 6.558 127.186 120.570 0.097 0.000 2.390 249 I HA 0.349 4.519 4.170 -0.001 0.000 0.283 249 I C -0.635 175.533 176.117 0.085 0.000 1.016 249 I CA -0.076 61.267 61.300 0.072 0.000 1.151 249 I CB 1.122 39.146 38.000 0.040 0.000 1.293 249 I HN 0.468 nan 8.210 nan 0.000 0.458 250 I N 6.332 126.949 120.570 0.080 0.000 2.310 250 I HA 0.560 4.730 4.170 -0.001 0.000 0.287 250 I C 0.530 176.668 176.117 0.036 0.000 1.073 250 I CA 0.005 61.351 61.300 0.077 0.000 1.216 250 I CB 0.698 38.737 38.000 0.065 0.000 1.415 250 I HN 0.606 nan 8.210 nan 0.000 0.480 251 A N 4.514 127.359 122.820 0.041 0.000 2.309 251 A HA 0.428 4.748 4.320 -0.001 0.000 0.317 251 A C 1.109 178.706 177.584 0.022 0.000 1.134 251 A CA -0.514 51.537 52.037 0.024 0.000 0.866 251 A CB 0.985 20.000 19.000 0.025 0.000 1.329 251 A HN 0.719 nan 8.150 nan 0.000 0.477 252 E N -0.621 119.588 120.200 0.015 0.000 2.077 252 E HA -0.147 4.203 4.350 -0.001 0.000 0.193 252 E C -0.329 176.291 176.600 0.033 0.000 0.989 252 E CA 1.447 57.859 56.400 0.019 0.000 0.800 252 E CB 0.162 29.871 29.700 0.016 0.000 0.746 252 E HN 0.615 nan 8.360 nan 0.000 0.452 253 D N -1.552 118.867 120.400 0.033 0.000 2.685 253 D HA 0.196 4.835 4.640 -0.001 0.000 0.236 253 D C -1.795 174.525 176.300 0.033 0.000 1.233 253 D CA -0.455 53.568 54.000 0.038 0.000 0.760 253 D CB 2.273 43.095 40.800 0.036 0.000 1.410 253 D HN -0.104 nan 8.370 nan 0.000 0.439 254 V N 2.603 122.540 119.914 0.037 0.000 2.525 254 V HA 0.502 4.622 4.120 -0.001 0.000 0.299 254 V C 0.168 176.281 176.094 0.031 0.000 1.034 254 V CA -0.500 61.818 62.300 0.029 0.000 0.863 254 V CB 1.678 33.518 31.823 0.028 0.000 0.999 254 V HN 0.649 nan 8.190 nan 0.000 0.423 255 E N 3.204 123.418 120.200 0.024 0.000 2.296 255 E HA 0.783 5.132 4.350 -0.001 0.000 0.224 255 E C 0.527 177.139 176.600 0.019 0.000 0.949 255 E CA -0.391 56.024 56.400 0.025 0.000 0.879 255 E CB 1.025 30.741 29.700 0.026 0.000 1.922 255 E HN 1.125 nan 8.360 nan 0.000 0.437 256 G N 0.987 109.799 108.800 0.019 0.000 2.574 256 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.282 256 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.282 256 G C 0.626 175.533 174.900 0.012 0.000 1.257 256 G CA 1.100 46.208 45.100 0.014 0.000 0.956 256 G HN 0.792 nan 8.290 nan 0.000 0.560 257 E N 0.206 120.410 120.200 0.007 0.000 2.208 257 E HA 0.364 4.714 4.350 -0.001 0.000 0.193 257 E C 2.703 179.302 176.600 -0.002 0.000 0.988 257 E CA 2.098 58.499 56.400 0.002 0.000 0.828 257 E CB -0.738 28.961 29.700 -0.001 0.000 0.763 257 E HN 1.295 nan 8.360 nan 0.000 0.478 258 A N 1.678 124.497 122.820 -0.002 0.000 1.869 258 A HA -0.227 4.092 4.320 -0.001 0.000 0.218 258 A C 2.223 179.801 177.584 -0.011 0.000 1.203 258 A CA 1.930 53.962 52.037 -0.007 0.000 0.638 258 A CB -1.053 17.944 19.000 -0.004 0.000 0.831 258 A HN 0.326 nan 8.150 nan 0.000 0.450 259 L N -0.401 120.822 121.223 -0.001 0.000 2.012 259 L HA -0.120 4.219 4.340 -0.001 0.000 0.210 259 L C 2.776 179.646 176.870 0.000 0.000 1.073 259 L CA 2.473 57.313 54.840 0.001 0.000 0.748 259 L CB -0.894 41.178 42.059 0.022 0.000 0.891 259 L HN 0.402 nan 8.230 nan 0.000 0.431 260 A N -1.228 121.598 122.820 0.009 0.000 1.908 260 A HA -0.269 4.050 4.320 -0.001 0.000 0.218 260 A C 2.342 179.920 177.584 -0.010 0.000 1.181 260 A CA 2.779 54.821 52.037 0.009 0.000 0.627 260 A CB -1.423 17.583 19.000 0.009 0.000 0.818 260 A HN 0.648 nan 8.150 nan 0.000 0.445 261 T N -1.290 113.254 114.554 -0.017 0.000 2.737 261 T HA -0.066 4.284 4.350 -0.001 0.000 0.265 261 T C 1.842 176.518 174.700 -0.041 0.000 1.038 261 T CA 1.297 63.382 62.100 -0.026 0.000 1.144 261 T CB -0.717 68.137 68.868 -0.023 0.000 0.866 261 T HN 0.265 nan 8.240 nan 0.000 0.434 262 L N 1.102 122.293 121.223 -0.054 0.000 2.089 262 L HA -0.163 4.177 4.340 -0.001 0.000 0.213 262 L C 2.900 179.694 176.870 -0.126 0.000 1.079 262 L CA 1.177 55.959 54.840 -0.096 0.000 0.758 262 L CB -0.898 41.092 42.059 -0.114 0.000 0.891 262 L HN 0.206 nan 8.230 nan 0.000 0.433 263 V N -0.812 119.052 119.914 -0.083 0.000 2.233 263 V HA -0.268 3.852 4.120 -0.001 0.000 0.247 263 V C 2.368 178.441 176.094 -0.035 0.000 1.050 263 V CA 1.917 64.186 62.300 -0.051 0.000 1.010 263 V CB -0.707 31.125 31.823 0.016 0.000 0.637 263 V HN 0.284 nan 8.190 nan 0.000 0.444 264 V N 0.724 120.618 119.914 -0.034 0.000 2.688 264 V HA -0.232 3.888 4.120 -0.001 0.000 0.256 264 V C 2.175 178.256 176.094 -0.021 0.000 1.084 264 V CA 1.948 64.231 62.300 -0.028 0.000 1.103 264 V CB -1.153 30.652 31.823 -0.030 0.000 0.688 264 V HN 0.578 nan 8.190 nan 0.000 0.480 265 N N 0.417 119.098 118.700 -0.033 0.000 2.207 265 N HA -0.087 4.653 4.740 -0.001 0.000 0.182 265 N C 1.912 177.415 175.510 -0.011 0.000 1.020 265 N CA 1.869 54.903 53.050 -0.027 0.000 0.858 265 N CB -0.113 38.349 38.487 -0.041 0.000 0.991 265 N HN 0.486 nan 8.380 nan 0.000 0.427 266 T N 1.468 116.009 114.554 -0.021 0.000 2.978 266 T HA 0.096 4.445 4.350 -0.001 0.000 0.262 266 T C 1.935 176.691 174.700 0.093 0.000 1.063 266 T CA 0.206 62.336 62.100 0.051 0.000 1.140 266 T CB 0.127 69.028 68.868 0.054 0.000 0.886 266 T HN 0.126 nan 8.240 nan 0.000 0.470 267 M N 0.706 120.346 119.600 0.066 0.000 2.195 267 M HA -0.134 4.345 4.480 -0.001 0.000 0.260 267 M C 2.355 178.676 176.300 0.036 0.000 1.066 267 M CA 1.551 56.885 55.300 0.057 0.000 1.089 267 M CB -0.030 32.584 32.600 0.023 0.000 1.377 267 M HN 0.026 nan 8.290 nan 0.000 0.411 268 R N -0.654 119.861 120.500 0.024 0.000 2.140 268 R HA 0.059 4.399 4.340 -0.001 0.000 0.213 268 R C 1.010 177.325 176.300 0.025 0.000 1.059 268 R CA 1.349 57.459 56.100 0.017 0.000 1.000 268 R CB 0.190 30.494 30.300 0.007 0.000 0.910 268 R HN 0.511 nan 8.270 nan 0.000 0.455 269 G N -0.293 108.529 108.800 0.037 0.000 2.135 269 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.183 269 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.183 269 G C 0.511 175.431 174.900 0.035 0.000 1.004 269 G CA 0.188 45.314 45.100 0.043 0.000 0.677 269 G HN 0.148 nan 8.290 nan 0.000 0.512 270 I N -0.113 120.472 120.570 0.026 0.000 2.193 270 I HA 0.081 4.251 4.170 -0.001 0.000 0.240 270 I C 1.558 177.690 176.117 0.025 0.000 1.084 270 I CA 2.278 63.589 61.300 0.018 0.000 1.365 270 I CB -1.342 36.662 38.000 0.006 0.000 1.064 270 I HN 0.557 nan 8.210 nan 0.000 0.410 271 V N -1.924 118.006 119.914 0.028 0.000 3.114 271 V HA 0.498 4.617 4.120 -0.001 0.000 0.308 271 V C -0.476 175.655 176.094 0.062 0.000 1.168 271 V CA -1.251 61.073 62.300 0.040 0.000 1.015 271 V CB 2.517 34.351 31.823 0.019 0.000 1.050 271 V HN 0.042 nan 8.190 nan 0.000 0.433 272 K N 1.867 122.329 120.400 0.103 0.000 2.334 272 K HA 0.716 5.036 4.320 -0.001 0.000 0.265 272 K C -0.990 175.707 176.600 0.162 0.000 1.039 272 K CA -0.439 55.963 56.287 0.193 0.000 0.920 272 K CB 1.495 34.131 32.500 0.226 0.000 1.160 272 K HN 0.936 nan 8.250 nan 0.000 0.451 273 V N 0.308 120.193 119.914 -0.050 0.000 2.577 273 V HA 0.821 4.941 4.120 -0.001 0.000 0.303 273 V C -0.585 175.205 176.094 -0.507 0.000 1.042 273 V CA -1.066 61.137 62.300 -0.162 0.000 0.872 273 V CB 1.516 33.252 31.823 -0.145 0.000 0.998 273 V HN 0.655 nan 8.190 nan 0.000 0.423 274 A N 3.530 126.314 122.820 -0.059 0.000 2.325 274 A HA 1.033 5.353 4.320 -0.001 0.000 0.333 274 A C 0.103 177.719 177.584 0.054 0.000 1.155 274 A CA -0.285 51.803 52.037 0.085 0.000 0.814 274 A CB 1.697 20.959 19.000 0.436 0.000 1.206 274 A HN 2.343 nan 8.150 nan 0.000 0.482 275 A N 1.184 124.054 122.820 0.084 0.000 2.357 275 A HA 0.664 4.983 4.320 -0.001 0.000 0.295 275 A C -0.594 177.072 177.584 0.137 0.000 1.121 275 A CA -0.242 51.845 52.037 0.083 0.000 0.742 275 A CB 0.796 19.816 19.000 0.034 0.000 1.181 275 A HN 2.115 nan 8.150 nan 0.000 0.454 276 V N 0.101 120.097 119.914 0.138 0.000 2.841 276 V HA 0.596 4.715 4.120 -0.001 0.000 0.310 276 V C -0.183 175.996 176.094 0.142 0.000 1.090 276 V CA -1.239 61.151 62.300 0.149 0.000 0.930 276 V CB 1.340 33.268 31.823 0.175 0.000 1.014 276 V HN 0.842 nan 8.190 nan 0.000 0.425 277 K N 1.740 122.217 120.400 0.129 0.000 2.188 277 K HA 0.598 4.917 4.320 -0.001 0.000 0.246 277 K C 0.436 177.113 176.600 0.127 0.000 1.026 277 K CA 0.339 56.691 56.287 0.109 0.000 0.871 277 K CB 0.507 33.064 32.500 0.095 0.000 1.042 277 K HN 1.101 nan 8.250 nan 0.000 0.509 278 A N 2.362 125.218 122.820 0.060 0.000 2.327 278 A HA 0.294 4.614 4.320 -0.001 0.000 0.283 278 A C -2.205 175.362 177.584 -0.030 0.000 1.127 278 A CA -1.494 50.533 52.037 -0.017 0.000 0.810 278 A CB -0.047 18.923 19.000 -0.050 0.000 1.066 278 A HN 0.404 nan 8.150 nan 0.000 0.492 279 P HA 0.412 nan 4.420 nan 0.000 0.269 279 P C 0.521 177.680 177.300 -0.234 0.000 1.252 279 P CA 1.358 64.381 63.100 -0.128 0.000 0.780 279 P CB 0.404 31.901 31.700 -0.339 0.000 0.829 280 G N 2.953 111.576 108.800 -0.296 0.000 2.396 280 G HA2 0.204 4.164 3.960 -0.001 0.000 0.254 280 G HA3 0.204 4.164 3.960 -0.001 0.000 0.254 280 G C -1.516 173.079 174.900 -0.508 0.000 1.248 280 G CA -0.672 43.979 45.100 -0.748 0.000 1.033 280 G HN 0.478 nan 8.290 nan 0.000 0.502 281 F N -2.036 117.928 119.950 0.024 0.000 2.672 281 F HA 0.725 5.252 4.527 -0.001 0.000 0.311 281 F C 0.867 176.682 175.800 0.024 0.000 1.113 281 F CA 0.034 58.049 58.000 0.024 0.000 0.996 281 F CB 0.859 39.876 39.000 0.029 0.000 1.286 281 F HN 2.396 nan 8.300 nan 0.000 0.441 282 G N 1.752 110.682 108.800 0.216 0.000 2.547 282 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.271 282 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.271 282 G C 0.250 175.195 174.900 0.075 0.000 1.209 282 G CA 0.724 45.909 45.100 0.141 0.000 0.959 282 G HN 0.805 nan 8.290 nan 0.000 0.563 283 D N 0.053 120.494 120.400 0.069 0.000 2.269 283 D HA 0.018 4.657 4.640 -0.001 0.000 0.208 283 D C 2.413 178.713 176.300 -0.000 0.000 0.963 283 D CA 0.835 54.853 54.000 0.030 0.000 0.864 283 D CB -0.122 40.699 40.800 0.035 0.000 0.936 283 D HN 0.420 nan 8.370 nan 0.000 0.505 284 R N 0.387 120.888 120.500 0.002 0.000 2.092 284 R HA -0.055 4.285 4.340 -0.001 0.000 0.231 284 R C 2.215 178.434 176.300 -0.135 0.000 1.119 284 R CA 0.771 56.828 56.100 -0.071 0.000 0.970 284 R CB 0.103 30.350 30.300 -0.088 0.000 0.864 284 R HN 0.079 nan 8.270 nan 0.000 0.440 285 R N 1.223 121.644 120.500 -0.132 0.000 2.082 285 R HA -0.185 4.155 4.340 -0.001 0.000 0.234 285 R C 1.736 177.969 176.300 -0.112 0.000 1.136 285 R CA 2.160 58.173 56.100 -0.145 0.000 0.935 285 R CB -0.081 30.165 30.300 -0.090 0.000 0.842 285 R HN 0.114 nan 8.270 nan 0.000 0.430 286 K N 0.209 120.567 120.400 -0.070 0.000 2.147 286 K HA -0.064 4.255 4.320 -0.001 0.000 0.205 286 K C 2.152 178.712 176.600 -0.067 0.000 1.049 286 K CA 1.307 57.558 56.287 -0.059 0.000 0.936 286 K CB -0.195 32.285 32.500 -0.035 0.000 0.722 286 K HN 0.274 nan 8.250 nan 0.000 0.446 287 A N 1.713 124.491 122.820 -0.070 0.000 1.851 287 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 287 A C 2.226 179.753 177.584 -0.094 0.000 1.195 287 A CA 1.588 53.582 52.037 -0.073 0.000 0.622 287 A CB -0.485 18.473 19.000 -0.070 0.000 0.831 287 A HN 0.163 nan 8.150 nan 0.000 0.444 288 M N -1.419 118.106 119.600 -0.126 0.000 2.175 288 M HA -0.106 4.374 4.480 -0.001 0.000 0.264 288 M C 2.205 178.400 176.300 -0.174 0.000 1.063 288 M CA 1.179 56.385 55.300 -0.157 0.000 1.119 288 M CB -0.510 31.968 32.600 -0.202 0.000 1.377 288 M HN 0.453 nan 8.290 nan 0.000 0.415 289 L N 0.703 121.828 121.223 -0.163 0.000 2.083 289 L HA -0.217 4.122 4.340 -0.001 0.000 0.209 289 L C 2.453 179.258 176.870 -0.108 0.000 1.083 289 L CA 1.873 56.621 54.840 -0.153 0.000 0.752 289 L CB -0.745 41.244 42.059 -0.117 0.000 0.899 289 L HN 0.259 nan 8.230 nan 0.000 0.433 290 Q N -0.189 119.561 119.800 -0.084 0.000 2.084 290 Q HA -0.222 4.117 4.340 -0.001 0.000 0.202 290 Q C 1.744 177.708 176.000 -0.060 0.000 0.978 290 Q CA 2.147 57.914 55.803 -0.060 0.000 0.844 290 Q CB -0.419 28.289 28.738 -0.050 0.000 0.898 290 Q HN 0.539 nan 8.270 nan 0.000 0.426 291 D N -0.209 120.146 120.400 -0.074 0.000 2.133 291 D HA -0.174 4.466 4.640 -0.001 0.000 0.195 291 D C 1.755 178.019 176.300 -0.061 0.000 0.997 291 D CA 1.580 55.540 54.000 -0.066 0.000 0.840 291 D CB -0.217 40.536 40.800 -0.079 0.000 0.947 291 D HN 0.405 nan 8.370 nan 0.000 0.452 292 I N 0.699 121.218 120.570 -0.085 0.000 2.315 292 I HA -0.220 3.950 4.170 -0.001 0.000 0.248 292 I C 2.408 178.506 176.117 -0.032 0.000 1.117 292 I CA 0.951 62.210 61.300 -0.068 0.000 1.404 292 I CB -0.233 37.696 38.000 -0.120 0.000 1.071 292 I HN -0.057 nan 8.210 nan 0.000 0.419 293 A N 0.557 123.357 122.820 -0.033 0.000 1.902 293 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 293 A C 2.412 179.992 177.584 -0.006 0.000 1.181 293 A CA 2.510 54.539 52.037 -0.013 0.000 0.623 293 A CB -1.175 17.815 19.000 -0.016 0.000 0.818 293 A HN 0.411 nan 8.150 nan 0.000 0.443 294 T N 0.055 114.601 114.554 -0.014 0.000 2.708 294 T HA -0.148 4.202 4.350 -0.001 0.000 0.266 294 T C 1.765 176.463 174.700 -0.004 0.000 1.037 294 T CA 1.524 63.618 62.100 -0.010 0.000 1.146 294 T CB -0.372 68.487 68.868 -0.016 0.000 0.865 294 T HN 0.311 nan 8.240 nan 0.000 0.435 295 L N 1.847 123.067 121.223 -0.005 0.000 2.362 295 L HA 0.021 4.361 4.340 -0.001 0.000 0.219 295 L C 2.175 179.050 176.870 0.008 0.000 1.134 295 L CA 1.628 56.469 54.840 0.002 0.000 0.807 295 L CB -0.652 41.409 42.059 0.004 0.000 0.927 295 L HN 0.443 nan 8.230 nan 0.000 0.447 296 T N -5.310 109.251 114.554 0.011 0.000 2.985 296 T HA 0.377 4.727 4.350 -0.001 0.000 0.254 296 T C 1.265 175.980 174.700 0.024 0.000 1.021 296 T CA 0.189 62.300 62.100 0.019 0.000 0.957 296 T CB 0.134 69.021 68.868 0.031 0.000 1.047 296 T HN 0.439 nan 8.240 nan 0.000 0.511 297 G N 0.749 109.561 108.800 0.020 0.000 2.225 297 G HA2 0.112 4.072 3.960 -0.001 0.000 0.264 297 G HA3 0.112 4.072 3.960 -0.001 0.000 0.264 297 G C 0.267 175.188 174.900 0.036 0.000 1.060 297 G CA -0.187 44.928 45.100 0.024 0.000 0.833 297 G HN 1.046 nan 8.290 nan 0.000 0.498 298 G N -1.598 107.222 108.800 0.032 0.000 2.644 298 G HA2 0.800 4.759 3.960 -0.001 0.000 0.307 298 G HA3 0.800 4.759 3.960 -0.001 0.000 0.307 298 G C -0.428 174.483 174.900 0.018 0.000 1.250 298 G CA 0.090 45.212 45.100 0.037 0.000 0.996 298 G HN 0.595 nan 8.290 nan 0.000 0.489 299 T N 0.392 114.955 114.554 0.015 0.000 2.797 299 T HA 0.415 4.765 4.350 -0.001 0.000 0.279 299 T C 0.172 174.872 174.700 -0.001 0.000 0.991 299 T CA -0.289 61.813 62.100 0.004 0.000 0.979 299 T CB 1.666 70.535 68.868 0.002 0.000 0.943 299 T HN 0.357 nan 8.240 nan 0.000 0.444 300 V N 4.304 124.213 119.914 -0.008 0.000 2.485 300 V HA 0.118 4.238 4.120 -0.001 0.000 0.287 300 V C 0.402 176.490 176.094 -0.010 0.000 1.022 300 V CA -0.253 62.039 62.300 -0.013 0.000 1.067 300 V CB -0.287 31.524 31.823 -0.021 0.000 0.967 300 V HN 0.733 nan 8.190 nan 0.000 0.479 301 I N 4.872 125.436 120.570 -0.009 0.000 2.243 301 I HA 0.097 4.266 4.170 -0.001 0.000 0.297 301 I C 0.840 176.951 176.117 -0.009 0.000 1.161 301 I CA 0.966 62.260 61.300 -0.009 0.000 1.298 301 I CB 0.704 38.699 38.000 -0.008 0.000 1.475 301 I HN 0.620 nan 8.210 nan 0.000 0.561 302 S N 4.381 120.075 115.700 -0.010 0.000 2.430 302 S HA 0.172 4.642 4.470 -0.001 0.000 0.289 302 S C 1.272 175.868 174.600 -0.007 0.000 1.143 302 S CA -0.505 57.690 58.200 -0.009 0.000 1.067 302 S CB 0.538 63.732 63.200 -0.010 0.000 0.964 302 S HN 0.691 nan 8.310 nan 0.000 0.485 303 E N 3.315 123.512 120.200 -0.005 0.000 2.153 303 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 303 E C 1.307 177.905 176.600 -0.003 0.000 0.988 303 E CA 1.262 57.660 56.400 -0.004 0.000 0.811 303 E CB 0.128 29.827 29.700 -0.002 0.000 0.746 303 E HN 0.839 nan 8.360 nan 0.000 0.466 304 E N 0.419 120.618 120.200 -0.003 0.000 2.077 304 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 304 E C 1.626 178.224 176.600 -0.003 0.000 0.989 304 E CA 1.225 57.624 56.400 -0.002 0.000 0.800 304 E CB -0.293 29.406 29.700 -0.001 0.000 0.746 304 E HN 0.439 nan 8.360 nan 0.000 0.452 305 I N -2.047 118.520 120.570 -0.004 0.000 3.585 305 I HA 0.414 4.583 4.170 -0.001 0.000 0.325 305 I C 0.458 176.572 176.117 -0.004 0.000 1.370 305 I CA -0.231 61.067 61.300 -0.004 0.000 1.298 305 I CB -0.314 37.682 38.000 -0.005 0.000 1.387 305 I HN 0.052 nan 8.210 nan 0.000 0.466 306 G N 2.660 111.458 108.800 -0.004 0.000 2.333 306 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.296 306 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.296 306 G C -0.336 174.561 174.900 -0.005 0.000 1.059 306 G CA 0.089 45.186 45.100 -0.004 0.000 1.050 306 G HN 0.576 nan 8.290 nan 0.000 0.508 307 M N -0.403 119.193 119.600 -0.005 0.000 2.386 307 M HA 0.377 4.856 4.480 -0.001 0.000 0.293 307 M C -0.243 176.053 176.300 -0.007 0.000 1.120 307 M CA -0.616 54.680 55.300 -0.007 0.000 0.909 307 M CB 2.330 34.926 32.600 -0.007 0.000 1.661 307 M HN 0.266 nan 8.290 nan 0.000 0.452 308 E N 1.432 121.628 120.200 -0.008 0.000 2.242 308 E HA 0.213 4.562 4.350 -0.001 0.000 0.275 308 E C 0.221 176.815 176.600 -0.010 0.000 1.002 308 E CA -0.571 55.824 56.400 -0.008 0.000 0.841 308 E CB 2.147 31.842 29.700 -0.009 0.000 1.109 308 E HN 0.493 nan 8.360 nan 0.000 0.394 309 L N 2.652 123.869 121.223 -0.010 0.000 2.201 309 L HA -0.139 4.201 4.340 -0.001 0.000 0.212 309 L C 1.491 178.351 176.870 -0.016 0.000 1.105 309 L CA 1.816 56.649 54.840 -0.012 0.000 0.775 309 L CB -0.215 41.838 42.059 -0.010 0.000 0.913 309 L HN 0.577 nan 8.230 nan 0.000 0.440 310 E N -0.354 119.837 120.200 -0.015 0.000 2.230 310 E HA -0.178 4.172 4.350 -0.001 0.000 0.192 310 E C 1.484 178.072 176.600 -0.020 0.000 0.987 310 E CA 0.816 57.205 56.400 -0.018 0.000 0.841 310 E CB -0.137 29.554 29.700 -0.015 0.000 0.783 310 E HN 0.584 nan 8.360 nan 0.000 0.481 311 K N 1.278 121.668 120.400 -0.018 0.000 2.505 311 K HA 0.268 4.587 4.320 -0.001 0.000 0.192 311 K C 0.503 177.090 176.600 -0.022 0.000 1.025 311 K CA 0.033 56.309 56.287 -0.018 0.000 1.086 311 K CB 0.339 32.830 32.500 -0.014 0.000 0.840 311 K HN -0.071 nan 8.250 nan 0.000 0.514 312 A N 1.526 124.330 122.820 -0.026 0.000 2.340 312 A HA 0.380 4.699 4.320 -0.001 0.000 0.268 312 A C 0.211 177.768 177.584 -0.045 0.000 1.100 312 A CA -0.253 51.765 52.037 -0.032 0.000 0.803 312 A CB 0.492 19.473 19.000 -0.032 0.000 1.043 312 A HN 0.498 nan 8.150 nan 0.000 0.488 313 T N -0.922 113.601 114.554 -0.052 0.000 2.773 313 T HA 0.509 4.859 4.350 -0.001 0.000 0.278 313 T C 1.025 175.663 174.700 -0.104 0.000 1.011 313 T CA -0.694 61.363 62.100 -0.072 0.000 1.014 313 T CB 0.431 69.268 68.868 -0.052 0.000 1.293 313 T HN 0.314 nan 8.240 nan 0.000 0.554 314 L N 0.234 121.369 121.223 -0.147 0.000 2.189 314 L HA -0.111 4.228 4.340 -0.001 0.000 0.214 314 L C 2.852 179.669 176.870 -0.088 0.000 1.097 314 L CA 1.787 56.491 54.840 -0.226 0.000 0.764 314 L CB -0.624 41.285 42.059 -0.249 0.000 0.900 314 L HN 0.864 nan 8.230 nan 0.000 0.436 315 E N 0.840 121.016 120.200 -0.039 0.000 2.065 315 E HA -0.267 4.083 4.350 -0.001 0.000 0.201 315 E C 1.476 178.084 176.600 0.014 0.000 1.016 315 E CA 2.020 58.421 56.400 0.001 0.000 0.818 315 E CB -0.051 29.646 29.700 -0.005 0.000 0.749 315 E HN 0.481 nan 8.360 nan 0.000 0.453 316 D N -0.149 120.249 120.400 -0.004 0.000 2.349 316 D HA -0.008 4.632 4.640 -0.001 0.000 0.224 316 D C 0.172 176.486 176.300 0.024 0.000 1.029 316 D CA 0.189 54.192 54.000 0.006 0.000 0.879 316 D CB 0.133 40.929 40.800 -0.007 0.000 0.906 316 D HN 0.265 nan 8.370 nan 0.000 0.528 317 L N 1.305 122.550 121.223 0.037 0.000 2.349 317 L HA 0.307 4.647 4.340 -0.001 0.000 0.275 317 L C 1.345 178.318 176.870 0.171 0.000 1.115 317 L CA -0.597 54.303 54.840 0.099 0.000 0.820 317 L CB 1.281 43.391 42.059 0.084 0.000 1.135 317 L HN -0.113 nan 8.230 nan 0.000 0.445 318 G N 2.377 111.263 108.800 0.142 0.000 2.599 318 G HA2 0.407 4.367 3.960 -0.001 0.000 0.264 318 G HA3 0.407 4.367 3.960 -0.001 0.000 0.264 318 G C -0.770 174.211 174.900 0.136 0.000 1.200 318 G CA -0.269 44.900 45.100 0.115 0.000 0.896 318 G HN 0.629 nan 8.290 nan 0.000 0.536 319 Q N -1.326 118.505 119.800 0.052 0.000 2.340 319 Q HA 0.580 4.919 4.340 -0.001 0.000 0.276 319 Q C -0.812 175.167 176.000 -0.034 0.000 1.048 319 Q CA -0.742 55.039 55.803 -0.037 0.000 0.832 319 Q CB 2.534 31.204 28.738 -0.114 0.000 1.373 319 Q HN 0.830 nan 8.270 nan 0.000 0.409 320 A N 1.159 123.947 122.820 -0.053 0.000 2.479 320 A HA 0.445 4.765 4.320 -0.001 0.000 0.296 320 A C -0.025 177.531 177.584 -0.046 0.000 1.121 320 A CA -0.574 51.446 52.037 -0.029 0.000 0.743 320 A CB 1.675 20.677 19.000 0.003 0.000 1.323 320 A HN 0.790 nan 8.150 nan 0.000 0.415 321 K N -0.494 119.888 120.400 -0.030 0.000 2.057 321 K HA 0.031 4.351 4.320 -0.001 0.000 0.206 321 K C 0.539 177.123 176.600 -0.026 0.000 1.050 321 K CA 1.267 57.535 56.287 -0.031 0.000 0.935 321 K CB 0.049 32.537 32.500 -0.021 0.000 0.715 321 K HN 0.611 nan 8.250 nan 0.000 0.439 322 R N -0.974 119.517 120.500 -0.014 0.000 2.692 322 R HA 0.348 4.688 4.340 -0.001 0.000 0.269 322 R C -1.983 174.320 176.300 0.005 0.000 1.030 322 R CA -0.740 55.355 56.100 -0.009 0.000 0.882 322 R CB 2.459 32.752 30.300 -0.011 0.000 1.250 322 R HN -0.113 nan 8.270 nan 0.000 0.465 323 V N 2.202 122.121 119.914 0.009 0.000 2.760 323 V HA 0.534 4.654 4.120 -0.001 0.000 0.309 323 V C -1.031 175.066 176.094 0.005 0.000 1.077 323 V CA -0.766 61.547 62.300 0.020 0.000 0.910 323 V CB 2.188 34.041 31.823 0.049 0.000 1.008 323 V HN 0.438 nan 8.190 nan 0.000 0.424 324 V N 6.050 125.960 119.914 -0.006 0.000 2.443 324 V HA 0.586 4.706 4.120 -0.001 0.000 0.293 324 V C -0.665 175.410 176.094 -0.033 0.000 1.021 324 V CA -0.308 61.980 62.300 -0.020 0.000 0.848 324 V CB 1.703 33.509 31.823 -0.028 0.000 0.998 324 V HN 0.729 nan 8.190 nan 0.000 0.424 325 I N 5.395 125.963 120.570 -0.003 0.000 2.447 325 I HA 0.522 4.692 4.170 -0.001 0.000 0.287 325 I C -0.172 175.981 176.117 0.061 0.000 1.023 325 I CA -0.383 60.923 61.300 0.009 0.000 1.083 325 I CB 1.954 40.014 38.000 0.101 0.000 1.245 325 I HN 0.797 nan 8.210 nan 0.000 0.434 326 N N 4.515 123.177 118.700 -0.062 0.000 2.815 326 N HA 0.349 5.088 4.740 -0.001 0.000 0.315 326 N C 0.595 175.777 175.510 -0.546 0.000 1.320 326 N CA -1.039 51.949 53.050 -0.103 0.000 0.846 326 N CB 0.643 39.087 38.487 -0.071 0.000 1.344 326 N HN 0.456 nan 8.380 nan 0.000 0.593 327 K N -1.244 118.789 120.400 -0.611 0.000 2.286 327 K HA -0.178 4.142 4.320 -0.001 0.000 0.203 327 K C -0.308 176.021 176.600 -0.451 0.000 1.045 327 K CA 1.756 57.593 56.287 -0.751 0.000 0.935 327 K CB -0.129 32.189 32.500 -0.302 0.000 0.737 327 K HN 0.572 nan 8.250 nan 0.000 0.460 328 D N -0.689 119.529 120.400 -0.304 0.000 2.504 328 D HA 0.016 4.655 4.640 -0.001 0.000 0.276 328 D C 0.177 176.362 176.300 -0.192 0.000 1.073 328 D CA 0.641 54.523 54.000 -0.197 0.000 0.905 328 D CB 0.988 41.711 40.800 -0.128 0.000 1.350 328 D HN 0.274 nan 8.370 nan 0.000 0.496 329 T N -0.920 113.502 114.554 -0.221 0.000 2.909 329 T HA 0.601 4.950 4.350 -0.001 0.000 0.299 329 T C -0.422 174.076 174.700 -0.336 0.000 1.073 329 T CA -0.629 61.311 62.100 -0.267 0.000 0.999 329 T CB 2.485 71.237 68.868 -0.195 0.000 1.098 329 T HN -0.316 nan 8.240 nan 0.000 0.477 330 T N 2.307 116.508 114.554 -0.588 0.000 2.823 330 T HA 0.681 5.031 4.350 -0.001 0.000 0.279 330 T C -0.550 173.848 174.700 -0.504 0.000 0.998 330 T CA -0.557 61.195 62.100 -0.580 0.000 0.994 330 T CB 1.528 69.925 68.868 -0.785 0.000 0.960 330 T HN 0.796 nan 8.240 nan 0.000 0.448 331 T N 3.165 117.597 114.554 -0.204 0.000 2.848 331 T HA 0.559 4.909 4.350 -0.001 0.000 0.285 331 T C -0.307 174.398 174.700 0.009 0.000 0.995 331 T CA -0.495 61.559 62.100 -0.076 0.000 0.970 331 T CB 0.808 69.639 68.868 -0.061 0.000 0.976 331 T HN 0.407 nan 8.240 nan 0.000 0.441 332 I N 3.590 124.200 120.570 0.066 0.000 2.330 332 I HA 0.394 4.564 4.170 -0.001 0.000 0.289 332 I C -0.315 175.826 176.117 0.040 0.000 1.001 332 I CA -0.592 60.749 61.300 0.069 0.000 1.193 332 I CB 0.967 39.030 38.000 0.106 0.000 1.345 332 I HN 0.521 nan 8.210 nan 0.000 0.461 333 I N 6.336 126.919 120.570 0.022 0.000 2.291 333 I HA 0.181 4.350 4.170 -0.001 0.000 0.292 333 I C -0.255 175.866 176.117 0.008 0.000 1.064 333 I CA -0.166 61.141 61.300 0.011 0.000 1.269 333 I CB 0.321 38.321 38.000 0.001 0.000 1.418 333 I HN 0.583 nan 8.210 nan 0.000 0.485 334 D N 5.124 125.530 120.400 0.009 0.000 3.908 334 D HA -0.118 4.522 4.640 -0.001 0.000 0.237 334 D C 0.184 176.485 176.300 0.001 0.000 1.091 334 D CA 0.951 54.953 54.000 0.003 0.000 1.147 334 D CB -0.147 40.652 40.800 -0.003 0.000 0.857 334 D HN 0.755 nan 8.370 nan 0.000 0.410 335 G N 0.961 109.764 108.800 0.006 0.000 2.562 335 G HA2 0.422 4.382 3.960 -0.001 0.000 0.275 335 G HA3 0.422 4.382 3.960 -0.001 0.000 0.275 335 G C 1.470 176.368 174.900 -0.003 0.000 1.196 335 G CA -0.168 44.934 45.100 0.004 0.000 0.908 335 G HN 0.340 nan 8.290 nan 0.000 0.524 336 V N 1.539 121.450 119.914 -0.005 0.000 2.233 336 V HA 0.019 4.139 4.120 -0.001 0.000 0.247 336 V C 2.133 178.227 176.094 -0.000 0.000 1.050 336 V CA 1.976 64.272 62.300 -0.006 0.000 1.010 336 V CB -1.464 30.356 31.823 -0.004 0.000 0.637 336 V HN 1.505 nan 8.190 nan 0.000 0.444 337 G N 1.709 110.511 108.800 0.004 0.000 2.561 337 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.214 337 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.214 337 G C -0.385 174.516 174.900 0.002 0.000 0.124 337 G CA 0.133 45.235 45.100 0.003 0.000 1.129 337 G HN 0.649 nan 8.290 nan 0.000 0.532 338 E N 1.974 122.175 120.200 0.003 0.000 2.585 338 E HA 0.179 4.529 4.350 -0.001 0.000 0.252 338 E C 1.217 177.817 176.600 -0.000 0.000 0.981 338 E CA 0.259 56.660 56.400 0.002 0.000 0.943 338 E CB 0.739 30.441 29.700 0.002 0.000 0.923 338 E HN 0.640 nan 8.360 nan 0.000 0.486 339 E N 3.757 123.956 120.200 -0.001 0.000 2.065 339 E HA -0.282 4.067 4.350 -0.001 0.000 0.201 339 E C 1.777 178.376 176.600 -0.002 0.000 1.016 339 E CA 2.044 58.443 56.400 -0.002 0.000 0.818 339 E CB -0.273 29.426 29.700 -0.002 0.000 0.749 339 E HN 0.604 nan 8.360 nan 0.000 0.453 340 A N 0.411 123.230 122.820 -0.002 0.000 1.933 340 A HA -0.047 4.273 4.320 -0.001 0.000 0.218 340 A C 2.400 179.982 177.584 -0.004 0.000 1.175 340 A CA 2.205 54.240 52.037 -0.003 0.000 0.628 340 A CB -0.884 18.114 19.000 -0.002 0.000 0.814 340 A HN 0.362 nan 8.150 nan 0.000 0.444 341 A N -0.156 122.662 122.820 -0.003 0.000 1.969 341 A HA -0.020 4.300 4.320 -0.001 0.000 0.218 341 A C 2.076 179.656 177.584 -0.006 0.000 1.169 341 A CA 1.367 53.401 52.037 -0.004 0.000 0.635 341 A CB -0.547 18.452 19.000 -0.003 0.000 0.810 341 A HN 0.507 nan 8.150 nan 0.000 0.445 342 I N -0.666 119.900 120.570 -0.006 0.000 2.113 342 I HA -0.320 3.850 4.170 -0.001 0.000 0.238 342 I C 2.684 178.795 176.117 -0.009 0.000 1.070 342 I CA 1.775 63.071 61.300 -0.007 0.000 1.332 342 I CB -0.488 37.509 38.000 -0.005 0.000 1.044 342 I HN 0.358 nan 8.210 nan 0.000 0.402 343 Q N 0.544 120.340 119.800 -0.007 0.000 2.291 343 Q HA -0.071 4.269 4.340 -0.001 0.000 0.205 343 Q C 2.234 178.229 176.000 -0.008 0.000 0.970 343 Q CA 1.220 57.019 55.803 -0.008 0.000 0.876 343 Q CB -0.295 28.440 28.738 -0.006 0.000 0.935 343 Q HN 0.644 nan 8.270 nan 0.000 0.455 344 G N 0.778 109.573 108.800 -0.008 0.000 2.394 344 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.214 344 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.214 344 G C 1.462 176.356 174.900 -0.011 0.000 1.176 344 G CA 0.141 45.236 45.100 -0.009 0.000 0.786 344 G HN 0.101 nan 8.290 nan 0.000 0.533 345 R N 0.208 120.700 120.500 -0.012 0.000 2.152 345 R HA 0.005 4.345 4.340 -0.001 0.000 0.232 345 R C 2.552 178.841 176.300 -0.018 0.000 1.117 345 R CA 0.831 56.921 56.100 -0.016 0.000 0.981 345 R CB -0.371 29.918 30.300 -0.018 0.000 0.870 345 R HN 0.338 nan 8.270 nan 0.000 0.451 346 V N 0.463 120.367 119.914 -0.016 0.000 2.283 346 V HA -0.147 3.973 4.120 -0.001 0.000 0.243 346 V C 2.374 178.459 176.094 -0.016 0.000 1.039 346 V CA 1.780 64.070 62.300 -0.017 0.000 1.016 346 V CB -0.708 31.107 31.823 -0.014 0.000 0.650 346 V HN 0.366 nan 8.190 nan 0.000 0.449 347 A N -1.029 121.783 122.820 -0.013 0.000 2.178 347 A HA -0.249 4.071 4.320 -0.001 0.000 0.218 347 A C 2.168 179.744 177.584 -0.013 0.000 1.157 347 A CA 1.829 53.859 52.037 -0.012 0.000 0.689 347 A CB -0.422 18.572 19.000 -0.010 0.000 0.787 347 A HN 0.639 nan 8.150 nan 0.000 0.465 348 Q N -0.364 119.427 119.800 -0.015 0.000 2.061 348 Q HA -0.001 4.338 4.340 -0.001 0.000 0.195 348 Q C 1.870 177.858 176.000 -0.020 0.000 0.967 348 Q CA 1.040 56.833 55.803 -0.016 0.000 0.829 348 Q CB -0.127 28.601 28.738 -0.016 0.000 0.900 348 Q HN 0.675 nan 8.270 nan 0.000 0.450 349 I N 0.569 121.125 120.570 -0.024 0.000 2.394 349 I HA -0.230 3.939 4.170 -0.001 0.000 0.251 349 I C 2.644 178.744 176.117 -0.028 0.000 1.136 349 I CA 0.773 62.056 61.300 -0.030 0.000 1.425 349 I CB -0.306 37.673 38.000 -0.035 0.000 1.079 349 I HN 0.200 nan 8.210 nan 0.000 0.425 350 R N 0.806 121.292 120.500 -0.023 0.000 2.120 350 R HA -0.204 4.135 4.340 -0.001 0.000 0.234 350 R C 2.295 178.584 176.300 -0.018 0.000 1.123 350 R CA 1.324 57.412 56.100 -0.020 0.000 0.975 350 R CB -0.101 30.189 30.300 -0.016 0.000 0.866 350 R HN 0.399 nan 8.270 nan 0.000 0.446 351 Q N 0.098 119.887 119.800 -0.017 0.000 2.408 351 Q HA -0.077 4.263 4.340 -0.001 0.000 0.205 351 Q C 1.211 177.202 176.000 -0.016 0.000 0.919 351 Q CA 0.777 56.572 55.803 -0.014 0.000 0.932 351 Q CB 0.392 29.123 28.738 -0.012 0.000 1.058 351 Q HN 0.457 nan 8.270 nan 0.000 0.517 352 Q N 0.135 119.922 119.800 -0.022 0.000 2.230 352 Q HA -0.006 4.333 4.340 -0.001 0.000 0.202 352 Q C 1.980 177.962 176.000 -0.029 0.000 0.963 352 Q CA 1.120 56.907 55.803 -0.026 0.000 0.866 352 Q CB 0.111 28.829 28.738 -0.032 0.000 0.931 352 Q HN 0.452 nan 8.270 nan 0.000 0.452 353 I N 0.364 120.917 120.570 -0.029 0.000 2.439 353 I HA -0.180 3.989 4.170 -0.001 0.000 0.251 353 I C 2.074 178.180 176.117 -0.018 0.000 1.139 353 I CA 0.652 61.934 61.300 -0.029 0.000 1.438 353 I CB -0.236 37.746 38.000 -0.029 0.000 1.085 353 I HN 0.101 nan 8.210 nan 0.000 0.427 354 E N 1.747 121.938 120.200 -0.014 0.000 2.058 354 E HA -0.226 4.123 4.350 -0.001 0.000 0.194 354 E C 1.614 178.211 176.600 -0.005 0.000 0.997 354 E CA 1.580 57.975 56.400 -0.008 0.000 0.801 354 E CB -0.152 29.543 29.700 -0.007 0.000 0.746 354 E HN 0.698 nan 8.360 nan 0.000 0.450 355 E N 0.152 120.348 120.200 -0.007 0.000 2.451 355 E HA 0.334 4.683 4.350 -0.001 0.000 0.194 355 E C -0.068 176.530 176.600 -0.005 0.000 1.027 355 E CA -0.195 56.203 56.400 -0.004 0.000 0.914 355 E CB 0.383 30.081 29.700 -0.004 0.000 1.054 355 E HN -0.046 nan 8.360 nan 0.000 0.461 356 A N 1.856 124.671 122.820 -0.009 0.000 2.484 356 A HA 0.123 4.443 4.320 -0.001 0.000 0.268 356 A C 1.104 178.690 177.584 0.003 0.000 1.114 356 A CA -0.075 51.956 52.037 -0.011 0.000 0.780 356 A CB -0.097 18.888 19.000 -0.024 0.000 1.061 356 A HN 0.307 nan 8.150 nan 0.000 0.505 357 T N 0.148 114.708 114.554 0.010 0.000 3.380 357 T HA 0.329 4.679 4.350 -0.001 0.000 0.250 357 T C 0.676 175.393 174.700 0.029 0.000 1.082 357 T CA 0.388 62.499 62.100 0.018 0.000 0.968 357 T CB -1.066 67.814 68.868 0.019 0.000 1.027 357 T HN 1.190 nan 8.240 nan 0.000 0.575 358 S N -0.564 115.155 115.700 0.032 0.000 3.319 358 S HA 0.349 4.818 4.470 -0.001 0.000 0.310 358 S C -0.586 174.042 174.600 0.048 0.000 1.223 358 S CA -0.599 57.629 58.200 0.048 0.000 1.189 358 S CB 0.532 63.777 63.200 0.074 0.000 1.514 358 S HN 0.030 nan 8.310 nan 0.000 0.554 359 D N -0.685 119.759 120.400 0.074 0.000 2.514 359 D HA 0.184 4.824 4.640 -0.001 0.000 0.249 359 D C 1.422 177.785 176.300 0.104 0.000 1.036 359 D CA 0.499 54.544 54.000 0.075 0.000 0.911 359 D CB -0.081 40.767 40.800 0.078 0.000 1.145 359 D HN 0.452 nan 8.370 nan 0.000 0.495 360 Y N 2.476 122.788 120.300 0.020 0.000 2.242 360 Y HA -0.092 4.457 4.550 -0.001 0.000 0.291 360 Y C 1.384 177.298 175.900 0.024 0.000 1.137 360 Y CA 1.341 59.456 58.100 0.025 0.000 1.181 360 Y CB -0.046 38.430 38.460 0.028 0.000 0.989 360 Y HN -0.207 nan 8.280 nan 0.000 0.527 361 D N -0.086 120.237 120.400 -0.128 0.000 2.392 361 D HA -0.067 4.572 4.640 -0.001 0.000 0.228 361 D C 1.764 177.979 176.300 -0.142 0.000 1.003 361 D CA 0.675 54.560 54.000 -0.191 0.000 0.917 361 D CB 0.020 40.786 40.800 -0.056 0.000 0.890 361 D HN 0.483 nan 8.370 nan 0.000 0.532 362 R N -0.038 120.401 120.500 -0.102 0.000 2.164 362 R HA 0.063 4.402 4.340 -0.001 0.000 0.198 362 R C 1.891 178.146 176.300 -0.074 0.000 1.028 362 R CA 0.127 56.188 56.100 -0.065 0.000 1.083 362 R CB 0.468 30.755 30.300 -0.021 0.000 1.026 362 R HN 0.040 nan 8.270 nan 0.000 0.514 363 E N 1.499 121.656 120.200 -0.071 0.000 2.005 363 E HA -0.250 4.099 4.350 -0.001 0.000 0.198 363 E C 1.761 178.316 176.600 -0.075 0.000 1.010 363 E CA 2.025 58.401 56.400 -0.041 0.000 0.825 363 E CB -0.055 29.663 29.700 0.031 0.000 0.769 363 E HN 0.263 nan 8.360 nan 0.000 0.456 364 K N 0.850 121.156 120.400 -0.157 0.000 2.211 364 K HA -0.145 4.175 4.320 -0.001 0.000 0.204 364 K C 2.024 178.552 176.600 -0.120 0.000 1.047 364 K CA 1.119 57.319 56.287 -0.145 0.000 0.935 364 K CB -0.121 32.228 32.500 -0.251 0.000 0.728 364 K HN 0.023 nan 8.250 nan 0.000 0.452 365 L N 2.367 123.513 121.223 -0.128 0.000 2.005 365 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 365 L C 2.929 179.761 176.870 -0.064 0.000 1.072 365 L CA 2.141 56.925 54.840 -0.094 0.000 0.744 365 L CB -1.373 40.633 42.059 -0.089 0.000 0.895 365 L HN 0.569 nan 8.230 nan 0.000 0.433 366 Q N -0.501 119.266 119.800 -0.054 0.000 2.291 366 Q HA -0.203 4.136 4.340 -0.001 0.000 0.205 366 Q C 1.571 177.552 176.000 -0.031 0.000 0.970 366 Q CA 1.186 56.966 55.803 -0.038 0.000 0.876 366 Q CB -0.272 28.446 28.738 -0.032 0.000 0.935 366 Q HN 0.537 nan 8.270 nan 0.000 0.455 367 E N 1.189 121.369 120.200 -0.033 0.000 2.051 367 E HA -0.148 4.202 4.350 -0.001 0.000 0.192 367 E C 2.148 178.734 176.600 -0.023 0.000 0.991 367 E CA 1.216 57.603 56.400 -0.021 0.000 0.799 367 E CB 0.055 29.745 29.700 -0.017 0.000 0.748 367 E HN 0.363 nan 8.360 nan 0.000 0.449 368 R N 0.256 120.733 120.500 -0.038 0.000 2.092 368 R HA -0.109 4.230 4.340 -0.001 0.000 0.231 368 R C 2.639 178.920 176.300 -0.031 0.000 1.119 368 R CA 1.212 57.288 56.100 -0.040 0.000 0.970 368 R CB -0.386 29.878 30.300 -0.059 0.000 0.864 368 R HN 0.206 nan 8.270 nan 0.000 0.440 369 V N -1.479 118.417 119.914 -0.030 0.000 2.427 369 V HA -0.089 4.031 4.120 -0.001 0.000 0.248 369 V C 2.091 178.176 176.094 -0.016 0.000 1.051 369 V CA 1.859 64.144 62.300 -0.024 0.000 1.048 369 V CB -0.660 31.148 31.823 -0.024 0.000 0.666 369 V HN 0.248 nan 8.190 nan 0.000 0.456 370 A N 0.349 123.161 122.820 -0.013 0.000 1.929 370 A HA -0.084 4.235 4.320 -0.001 0.000 0.216 370 A C 2.282 179.865 177.584 -0.000 0.000 1.176 370 A CA 1.758 53.791 52.037 -0.007 0.000 0.628 370 A CB -0.534 18.463 19.000 -0.006 0.000 0.816 370 A HN 0.616 nan 8.150 nan 0.000 0.444 371 K N -0.532 119.868 120.400 0.001 0.000 2.097 371 K HA -0.017 4.303 4.320 -0.001 0.000 0.206 371 K C 1.626 178.232 176.600 0.009 0.000 1.049 371 K CA 1.346 57.641 56.287 0.013 0.000 0.933 371 K CB -0.250 32.259 32.500 0.016 0.000 0.717 371 K HN 0.464 nan 8.250 nan 0.000 0.442 372 L N -0.531 120.690 121.223 -0.002 0.000 2.298 372 L HA 0.051 4.391 4.340 -0.001 0.000 0.209 372 L C 2.059 178.927 176.870 -0.003 0.000 1.084 372 L CA 0.328 55.165 54.840 -0.005 0.000 0.816 372 L CB -0.157 41.894 42.059 -0.013 0.000 0.967 372 L HN 0.127 nan 8.230 nan 0.000 0.460 373 A N 0.127 122.944 122.820 -0.005 0.000 2.712 373 A HA 0.391 4.711 4.320 -0.001 0.000 0.211 373 A C 1.694 179.277 177.584 -0.002 0.000 1.877 373 A CA 0.722 52.756 52.037 -0.005 0.000 0.686 373 A CB -1.328 17.668 19.000 -0.007 0.000 1.308 373 A HN 0.244 nan 8.150 nan 0.000 0.498 374 G N -1.406 107.393 108.800 -0.003 0.000 3.107 374 G HA2 0.440 4.399 3.960 -0.001 0.000 0.155 374 G HA3 0.440 4.399 3.960 -0.001 0.000 0.155 374 G C 0.465 175.366 174.900 0.001 0.000 1.875 374 G CA 0.522 45.621 45.100 -0.001 0.000 1.004 374 G HN 1.287 nan 8.290 nan 0.000 0.480 375 G N -2.604 106.196 108.800 0.001 0.000 2.866 375 G HA2 0.511 4.470 3.960 -0.001 0.000 0.289 375 G HA3 0.511 4.470 3.960 -0.001 0.000 0.289 375 G C -2.022 172.880 174.900 0.004 0.000 1.396 375 G CA -0.294 44.808 45.100 0.004 0.000 0.848 375 G HN 0.690 nan 8.290 nan 0.000 0.515 376 V N -0.010 119.908 119.914 0.006 0.000 2.604 376 V HA 0.784 4.904 4.120 -0.001 0.000 0.305 376 V C -0.012 176.084 176.094 0.005 0.000 1.043 376 V CA -0.346 61.958 62.300 0.006 0.000 0.888 376 V CB 1.423 33.253 31.823 0.011 0.000 0.995 376 V HN 1.278 nan 8.190 nan 0.000 0.429 377 A N 4.568 127.390 122.820 0.004 0.000 2.374 377 A HA 0.922 5.242 4.320 -0.001 0.000 0.317 377 A C -1.232 176.356 177.584 0.007 0.000 1.094 377 A CA -0.564 51.475 52.037 0.004 0.000 0.765 377 A CB 1.964 20.966 19.000 0.003 0.000 1.268 377 A HN 0.671 nan 8.150 nan 0.000 0.438 378 V N 2.906 122.824 119.914 0.006 0.000 2.487 378 V HA 0.396 4.516 4.120 -0.001 0.000 0.298 378 V C -0.418 175.681 176.094 0.009 0.000 1.028 378 V CA -0.221 62.084 62.300 0.009 0.000 0.860 378 V CB 1.503 33.331 31.823 0.008 0.000 0.991 378 V HN 0.759 nan 8.190 nan 0.000 0.427 379 I N 4.643 125.220 120.570 0.012 0.000 2.315 379 I HA 0.384 4.554 4.170 -0.001 0.000 0.291 379 I C 0.150 176.274 176.117 0.012 0.000 1.006 379 I CA -0.372 60.935 61.300 0.012 0.000 1.265 379 I CB 1.180 39.190 38.000 0.015 0.000 1.387 379 I HN 0.506 nan 8.210 nan 0.000 0.475 380 K N 5.860 126.265 120.400 0.009 0.000 2.240 380 K HA 0.504 4.824 4.320 -0.001 0.000 0.271 380 K C -0.975 175.629 176.600 0.008 0.000 1.018 380 K CA -0.617 55.674 56.287 0.008 0.000 0.874 380 K CB 1.964 34.467 32.500 0.005 0.000 1.098 380 K HN 0.305 nan 8.250 nan 0.000 0.458 381 V N 2.151 122.070 119.914 0.009 0.000 2.439 381 V HA 0.407 4.526 4.120 -0.001 0.000 0.282 381 V C 0.679 176.776 176.094 0.006 0.000 1.039 381 V CA -0.848 61.457 62.300 0.008 0.000 0.913 381 V CB 1.414 33.243 31.823 0.010 0.000 0.983 381 V HN 0.899 nan 8.190 nan 0.000 0.460 382 G N 2.490 111.293 108.800 0.005 0.000 2.389 382 G HA2 0.805 4.765 3.960 -0.001 0.000 0.328 382 G HA3 0.805 4.765 3.960 -0.001 0.000 0.328 382 G C -0.628 174.274 174.900 0.003 0.000 1.133 382 G CA -0.063 45.039 45.100 0.003 0.000 0.891 382 G HN 1.251 nan 8.290 nan 0.000 0.485 383 A N 0.017 122.839 122.820 0.002 0.000 2.610 383 A HA 0.792 5.111 4.320 -0.001 0.000 0.291 383 A C 0.710 178.294 177.584 0.001 0.000 1.086 383 A CA 0.315 52.353 52.037 0.002 0.000 0.677 383 A CB 0.827 19.828 19.000 0.002 0.000 1.278 383 A HN 1.741 nan 8.150 nan 0.000 0.414 384 A N 0.095 122.915 122.820 0.000 0.000 1.872 384 A HA 0.338 4.657 4.320 -0.001 0.000 0.214 384 A C 1.550 179.135 177.584 0.000 0.000 1.187 384 A CA 2.561 54.597 52.037 0.000 0.000 0.614 384 A CB -0.885 18.114 19.000 -0.001 0.000 0.826 384 A HN 1.767 nan 8.150 nan 0.000 0.442 385 T N -4.248 110.306 114.554 0.000 0.000 2.850 385 T HA 0.494 4.844 4.350 -0.001 0.000 0.269 385 T C 0.738 175.439 174.700 0.002 0.000 1.075 385 T CA 0.216 62.317 62.100 0.000 0.000 0.987 385 T CB 1.128 69.996 68.868 -0.001 0.000 1.889 385 T HN 0.196 nan 8.240 nan 0.000 0.584 386 E N -0.499 119.702 120.200 0.002 0.000 2.421 386 E HA 0.106 4.456 4.350 -0.001 0.000 0.209 386 E C 2.150 178.752 176.600 0.004 0.000 0.871 386 E CA 0.344 56.746 56.400 0.004 0.000 1.064 386 E CB 0.450 30.153 29.700 0.005 0.000 1.075 386 E HN 0.512 nan 8.360 nan 0.000 0.513 387 V N -0.468 119.447 119.914 0.002 0.000 2.626 387 V HA -0.149 3.971 4.120 -0.001 0.000 0.252 387 V C 2.030 178.125 176.094 0.001 0.000 1.067 387 V CA 1.953 64.253 62.300 0.000 0.000 1.081 387 V CB -0.474 31.347 31.823 -0.003 0.000 0.686 387 V HN 0.147 nan 8.190 nan 0.000 0.468 388 E N -0.003 120.198 120.200 0.001 0.000 2.072 388 E HA -0.198 4.151 4.350 -0.001 0.000 0.190 388 E C 2.114 178.716 176.600 0.002 0.000 0.982 388 E CA 1.337 57.738 56.400 0.001 0.000 0.803 388 E CB -0.193 29.507 29.700 0.000 0.000 0.755 388 E HN 0.510 nan 8.360 nan 0.000 0.453 389 M N 1.265 120.867 119.600 0.004 0.000 2.082 389 M HA -0.198 4.282 4.480 -0.001 0.000 0.258 389 M C 1.769 178.073 176.300 0.007 0.000 1.069 389 M CA 1.760 57.063 55.300 0.005 0.000 1.102 389 M CB -0.036 32.567 32.600 0.006 0.000 1.336 389 M HN -0.088 nan 8.290 nan 0.000 0.404 390 K N -0.451 119.953 120.400 0.007 0.000 2.026 390 K HA -0.220 4.100 4.320 -0.001 0.000 0.208 390 K C 1.982 178.586 176.600 0.005 0.000 1.048 390 K CA 1.935 58.227 56.287 0.008 0.000 0.929 390 K CB -0.381 32.125 32.500 0.010 0.000 0.713 390 K HN 0.556 nan 8.250 nan 0.000 0.439 391 E N 1.638 121.840 120.200 0.003 0.000 2.106 391 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 391 E C 1.900 178.501 176.600 0.001 0.000 0.984 391 E CA 1.600 58.001 56.400 0.001 0.000 0.806 391 E CB 0.009 29.709 29.700 -0.001 0.000 0.750 391 E HN 0.069 nan 8.360 nan 0.000 0.458 392 K N 0.914 121.315 120.400 0.003 0.000 2.001 392 K HA -0.091 4.228 4.320 -0.001 0.000 0.208 392 K C 2.187 178.791 176.600 0.007 0.000 1.048 392 K CA 1.698 57.987 56.287 0.004 0.000 0.932 392 K CB -0.194 32.309 32.500 0.004 0.000 0.715 392 K HN 0.084 nan 8.250 nan 0.000 0.437 393 K N -0.185 120.220 120.400 0.008 0.000 2.074 393 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 393 K C 1.915 178.522 176.600 0.011 0.000 1.048 393 K CA 1.523 57.817 56.287 0.012 0.000 0.926 393 K CB -0.296 32.212 32.500 0.013 0.000 0.713 393 K HN 0.279 nan 8.250 nan 0.000 0.444 394 A N 1.007 123.829 122.820 0.004 0.000 1.933 394 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 394 A C 2.062 179.642 177.584 -0.008 0.000 1.175 394 A CA 1.373 53.407 52.037 -0.005 0.000 0.628 394 A CB -0.351 18.645 19.000 -0.008 0.000 0.814 394 A HN 0.305 nan 8.150 nan 0.000 0.444 395 R N -0.829 119.671 120.500 -0.000 0.000 2.062 395 R HA -0.027 4.313 4.340 -0.001 0.000 0.226 395 R C 2.069 178.377 176.300 0.012 0.000 1.125 395 R CA 1.300 57.401 56.100 0.002 0.000 0.966 395 R CB -0.447 29.854 30.300 0.002 0.000 0.861 395 R HN 0.376 nan 8.270 nan 0.000 0.433 396 V N 1.629 121.554 119.914 0.018 0.000 2.324 396 V HA -0.257 3.863 4.120 -0.001 0.000 0.250 396 V C 2.209 178.332 176.094 0.050 0.000 1.060 396 V CA 1.746 64.064 62.300 0.029 0.000 1.042 396 V CB -0.477 31.361 31.823 0.026 0.000 0.650 396 V HN 0.316 nan 8.190 nan 0.000 0.450 397 E N 0.046 120.274 120.200 0.047 0.000 2.085 397 E HA -0.260 4.089 4.350 -0.001 0.000 0.194 397 E C 1.990 178.643 176.600 0.089 0.000 0.994 397 E CA 1.787 58.236 56.400 0.081 0.000 0.801 397 E CB -0.291 29.429 29.700 0.033 0.000 0.743 397 E HN 0.661 nan 8.360 nan 0.000 0.453 398 D N 0.199 120.602 120.400 0.005 0.000 2.084 398 D HA -0.104 4.535 4.640 -0.001 0.000 0.194 398 D C 1.869 178.206 176.300 0.061 0.000 0.990 398 D CA 1.749 55.736 54.000 -0.021 0.000 0.826 398 D CB -0.171 40.613 40.800 -0.026 0.000 0.971 398 D HN 0.162 nan 8.370 nan 0.000 0.453 399 A N 0.686 123.540 122.820 0.056 0.000 1.908 399 A HA -0.147 4.172 4.320 -0.001 0.000 0.218 399 A C 2.147 179.782 177.584 0.086 0.000 1.181 399 A CA 0.844 52.916 52.037 0.060 0.000 0.627 399 A CB -0.811 18.212 19.000 0.038 0.000 0.818 399 A HN 0.314 nan 8.150 nan 0.000 0.445 400 L N -0.839 120.450 121.223 0.110 0.000 2.081 400 L HA -0.244 4.096 4.340 -0.001 0.000 0.212 400 L C 2.325 179.251 176.870 0.094 0.000 1.080 400 L CA 2.590 57.489 54.840 0.099 0.000 0.754 400 L CB -1.016 41.108 42.059 0.109 0.000 0.893 400 L HN 0.545 nan 8.230 nan 0.000 0.433 401 H N -0.819 118.260 119.070 0.015 0.000 2.372 401 H HA 0.038 4.593 4.556 -0.001 0.000 0.301 401 H C 2.178 177.516 175.328 0.017 0.000 1.065 401 H CA 1.433 57.492 56.048 0.018 0.000 1.364 401 H CB -0.107 29.668 29.762 0.021 0.000 1.406 401 H HN 0.405 nan 8.280 nan 0.000 0.521 402 A N 0.212 123.124 122.820 0.154 0.000 1.930 402 A HA -0.189 4.131 4.320 -0.001 0.000 0.217 402 A C 2.468 180.085 177.584 0.054 0.000 1.175 402 A CA 2.095 54.185 52.037 0.088 0.000 0.627 402 A CB -1.068 17.971 19.000 0.064 0.000 0.815 402 A HN 0.609 nan 8.150 nan 0.000 0.443 403 T N -1.910 112.671 114.554 0.045 0.000 2.708 403 T HA -0.169 4.180 4.350 -0.001 0.000 0.266 403 T C 1.935 176.643 174.700 0.014 0.000 1.037 403 T CA 1.176 63.291 62.100 0.025 0.000 1.146 403 T CB -0.440 68.440 68.868 0.019 0.000 0.865 403 T HN 0.444 nan 8.240 nan 0.000 0.435 404 R N 1.348 121.851 120.500 0.004 0.000 2.159 404 R HA 0.085 4.425 4.340 -0.001 0.000 0.237 404 R C 2.796 179.095 176.300 -0.001 0.000 1.131 404 R CA 1.277 57.368 56.100 -0.015 0.000 0.982 404 R CB -0.712 29.554 30.300 -0.058 0.000 0.868 404 R HN 0.611 nan 8.270 nan 0.000 0.453 405 A N 0.857 123.688 122.820 0.017 0.000 1.930 405 A HA 0.064 4.384 4.320 -0.001 0.000 0.215 405 A C 2.343 179.938 177.584 0.018 0.000 1.176 405 A CA 1.166 53.217 52.037 0.024 0.000 0.632 405 A CB -0.320 18.706 19.000 0.044 0.000 0.819 405 A HN 0.319 nan 8.150 nan 0.000 0.445 406 A N -0.377 122.454 122.820 0.018 0.000 1.902 406 A HA -0.020 4.300 4.320 -0.001 0.000 0.217 406 A C 2.194 179.783 177.584 0.009 0.000 1.181 406 A CA 1.793 53.838 52.037 0.014 0.000 0.623 406 A CB -0.919 18.090 19.000 0.015 0.000 0.818 406 A HN 0.359 nan 8.150 nan 0.000 0.443 407 V N 1.069 120.987 119.914 0.006 0.000 2.407 407 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 407 V C 2.525 178.620 176.094 0.002 0.000 1.055 407 V CA 2.338 64.640 62.300 0.003 0.000 1.049 407 V CB -0.817 31.005 31.823 -0.001 0.000 0.662 407 V HN 0.934 nan 8.190 nan 0.000 0.455 408 E N -0.410 119.792 120.200 0.002 0.000 2.385 408 E HA -0.095 4.255 4.350 -0.001 0.000 0.194 408 E C 1.621 178.223 176.600 0.004 0.000 1.013 408 E CA 1.020 57.421 56.400 0.002 0.000 0.866 408 E CB 0.105 29.805 29.700 0.001 0.000 0.832 408 E HN 0.658 nan 8.360 nan 0.000 0.500 409 E N -0.112 120.092 120.200 0.006 0.000 2.712 409 E HA 0.206 4.555 4.350 -0.001 0.000 0.221 409 E C 0.003 176.606 176.600 0.006 0.000 0.943 409 E CA 0.184 56.587 56.400 0.006 0.000 1.259 409 E CB 1.331 31.035 29.700 0.006 0.000 1.167 409 E HN 0.334 nan 8.360 nan 0.000 0.569 410 G N 0.770 109.574 108.800 0.007 0.000 2.757 410 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.638 410 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.638 410 G C -0.396 174.509 174.900 0.009 0.000 1.344 410 G CA -0.441 44.663 45.100 0.007 0.000 0.855 410 G HN 0.576 nan 8.290 nan 0.000 0.537 411 V N -2.500 117.419 119.914 0.009 0.000 3.074 411 V HA 1.000 5.120 4.120 -0.001 0.000 0.314 411 V C 0.620 176.721 176.094 0.011 0.000 1.117 411 V CA 0.193 62.500 62.300 0.011 0.000 1.014 411 V CB 1.417 33.246 31.823 0.011 0.000 1.057 411 V HN 2.523 nan 8.190 nan 0.000 0.438 412 V N -1.292 118.630 119.914 0.013 0.000 3.182 412 V HA 1.000 5.119 4.120 -0.001 0.000 0.308 412 V C 0.340 176.444 176.094 0.017 0.000 1.240 412 V CA -0.734 61.575 62.300 0.015 0.000 1.063 412 V CB 1.260 33.092 31.823 0.014 0.000 1.076 412 V HN 2.122 nan 8.190 nan 0.000 0.446 413 A N 1.019 123.852 122.820 0.021 0.000 2.491 413 A HA 0.642 4.961 4.320 -0.001 0.000 0.261 413 A C 0.940 178.536 177.584 0.020 0.000 1.101 413 A CA 0.591 52.642 52.037 0.023 0.000 0.772 413 A CB -0.694 18.325 19.000 0.032 0.000 1.043 413 A HN 2.017 nan 8.150 nan 0.000 0.501 414 G N 1.234 110.043 108.800 0.014 0.000 2.529 414 G HA2 0.478 4.437 3.960 -0.001 0.000 0.277 414 G HA3 0.478 4.437 3.960 -0.001 0.000 0.277 414 G C 1.241 176.151 174.900 0.016 0.000 1.383 414 G CA 0.076 45.184 45.100 0.013 0.000 1.050 414 G HN 2.269 nan 8.290 nan 0.000 0.526 415 G N -2.254 106.556 108.800 0.017 0.000 2.168 415 G HA2 0.191 4.151 3.960 -0.001 0.000 0.257 415 G HA3 0.191 4.151 3.960 -0.001 0.000 0.257 415 G C 1.528 176.450 174.900 0.037 0.000 0.997 415 G CA 1.116 46.233 45.100 0.029 0.000 0.708 415 G HN 2.508 nan 8.290 nan 0.000 0.520 416 G N -2.072 106.745 108.800 0.028 0.000 2.203 416 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.263 416 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.263 416 G C 1.727 176.646 174.900 0.032 0.000 1.012 416 G CA 1.804 46.921 45.100 0.028 0.000 0.749 416 G HN 2.123 nan 8.290 nan 0.000 0.512 417 V N -0.602 119.333 119.914 0.035 0.000 2.407 417 V HA 0.244 4.363 4.120 -0.001 0.000 0.245 417 V C 2.904 179.020 176.094 0.037 0.000 1.041 417 V CA 2.291 64.616 62.300 0.042 0.000 1.040 417 V CB -0.582 31.269 31.823 0.048 0.000 0.671 417 V HN 1.433 nan 8.190 nan 0.000 0.455 418 A N 0.515 123.354 122.820 0.030 0.000 1.881 418 A HA -0.272 4.048 4.320 -0.001 0.000 0.219 418 A C 2.172 179.769 177.584 0.022 0.000 1.215 418 A CA 2.688 54.740 52.037 0.025 0.000 0.648 418 A CB -1.069 17.942 19.000 0.019 0.000 0.832 418 A HN 0.564 nan 8.150 nan 0.000 0.455 419 L N -0.995 120.240 121.223 0.020 0.000 2.042 419 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 419 L C 2.404 179.285 176.870 0.019 0.000 1.076 419 L CA 1.741 56.591 54.840 0.016 0.000 0.749 419 L CB -0.707 41.361 42.059 0.015 0.000 0.893 419 L HN 0.447 nan 8.230 nan 0.000 0.432 420 I N -1.439 119.146 120.570 0.025 0.000 2.361 420 I HA -0.284 3.886 4.170 -0.001 0.000 0.251 420 I C 2.433 178.567 176.117 0.028 0.000 1.133 420 I CA 0.803 62.120 61.300 0.027 0.000 1.413 420 I CB -0.116 37.905 38.000 0.035 0.000 1.073 420 I HN 0.173 nan 8.210 nan 0.000 0.424 421 R N -0.132 120.386 120.500 0.031 0.000 2.073 421 R HA -0.054 4.286 4.340 -0.001 0.000 0.229 421 R C 2.301 178.613 176.300 0.021 0.000 1.120 421 R CA 1.600 57.719 56.100 0.031 0.000 0.967 421 R CB -1.211 29.110 30.300 0.035 0.000 0.862 421 R HN 0.434 nan 8.270 nan 0.000 0.436 422 V N -0.768 119.156 119.914 0.017 0.000 2.548 422 V HA 0.009 4.129 4.120 -0.001 0.000 0.249 422 V C 2.020 178.120 176.094 0.010 0.000 1.055 422 V CA 1.720 64.027 62.300 0.012 0.000 1.065 422 V CB -0.735 31.093 31.823 0.007 0.000 0.681 422 V HN 0.174 nan 8.190 nan 0.000 0.462 423 A N 1.615 124.442 122.820 0.012 0.000 1.948 423 A HA -0.188 4.131 4.320 -0.001 0.000 0.220 423 A C 2.547 180.137 177.584 0.010 0.000 1.177 423 A CA 2.792 54.835 52.037 0.010 0.000 0.636 423 A CB -1.031 17.976 19.000 0.012 0.000 0.815 423 A HN 0.994 nan 8.150 nan 0.000 0.449 424 S N -0.391 115.316 115.700 0.012 0.000 2.446 424 S HA -0.029 4.441 4.470 -0.001 0.000 0.225 424 S C 1.713 176.318 174.600 0.008 0.000 1.016 424 S CA 0.905 59.111 58.200 0.011 0.000 0.943 424 S CB -0.229 62.979 63.200 0.013 0.000 0.786 424 S HN 0.614 nan 8.310 nan 0.000 0.508 425 K N 1.268 121.674 120.400 0.009 0.000 2.147 425 K HA 0.096 4.416 4.320 -0.001 0.000 0.205 425 K C 1.185 177.788 176.600 0.005 0.000 1.049 425 K CA 0.942 57.233 56.287 0.007 0.000 0.936 425 K CB -0.404 32.100 32.500 0.007 0.000 0.722 425 K HN 0.427 nan 8.250 nan 0.000 0.446 426 L N 0.302 121.528 121.223 0.005 0.000 2.685 426 L HA 0.193 4.533 4.340 -0.001 0.000 0.233 426 L C 1.868 178.740 176.870 0.004 0.000 1.173 426 L CA -0.369 54.474 54.840 0.004 0.000 0.961 426 L CB -0.062 41.999 42.059 0.003 0.000 1.217 426 L HN 0.047 nan 8.230 nan 0.000 0.478 427 A N 0.006 122.829 122.820 0.004 0.000 2.024 427 A HA -0.193 4.127 4.320 -0.001 0.000 0.220 427 A C 1.510 179.095 177.584 0.002 0.000 1.164 427 A CA 1.666 53.705 52.037 0.003 0.000 0.643 427 A CB -0.188 18.814 19.000 0.003 0.000 0.806 427 A HN 0.352 nan 8.150 nan 0.000 0.451 428 D N -1.193 119.208 120.400 0.002 0.000 2.368 428 D HA 0.214 4.854 4.640 -0.001 0.000 0.218 428 D C -0.239 176.062 176.300 0.002 0.000 1.112 428 D CA -0.254 53.747 54.000 0.002 0.000 0.834 428 D CB 0.113 40.914 40.800 0.001 0.000 0.953 428 D HN 0.270 nan 8.370 nan 0.000 0.505 429 L N 1.662 122.886 121.223 0.002 0.000 2.410 429 L HA 0.194 4.534 4.340 -0.001 0.000 0.273 429 L C 0.260 177.131 176.870 0.002 0.000 1.152 429 L CA 0.428 55.269 54.840 0.002 0.000 0.855 429 L CB 0.208 42.268 42.059 0.002 0.000 1.129 429 L HN -0.206 nan 8.230 nan 0.000 0.463 430 R N 2.731 123.232 120.500 0.002 0.000 2.888 430 R HA 0.733 5.072 4.340 -0.001 0.000 0.264 430 R C -0.293 176.009 176.300 0.002 0.000 1.045 430 R CA -0.501 55.600 56.100 0.002 0.000 0.962 430 R CB 1.591 31.892 30.300 0.002 0.000 1.210 430 R HN 0.793 nan 8.270 nan 0.000 0.479 431 G N -0.405 108.396 108.800 0.003 0.000 3.107 431 G HA2 0.203 4.163 3.960 -0.001 0.000 0.232 431 G HA3 0.203 4.163 3.960 -0.001 0.000 0.232 431 G C 0.042 174.944 174.900 0.003 0.000 1.339 431 G CA -0.304 44.798 45.100 0.003 0.000 1.033 431 G HN 0.428 nan 8.290 nan 0.000 0.567 432 Q N -0.124 119.678 119.800 0.003 0.000 2.378 432 Q HA 0.091 4.431 4.340 -0.001 0.000 0.205 432 Q C 0.547 176.549 176.000 0.003 0.000 0.954 432 Q CA 0.716 56.521 55.803 0.003 0.000 0.901 432 Q CB 0.031 28.772 28.738 0.004 0.000 0.981 432 Q HN 0.600 nan 8.270 nan 0.000 0.483 433 N N -1.771 116.930 118.700 0.003 0.000 3.179 433 N HA -0.025 4.715 4.740 -0.001 0.000 0.250 433 N C 0.076 175.587 175.510 0.003 0.000 1.507 433 N CA -0.283 52.769 53.050 0.003 0.000 0.883 433 N CB 0.976 39.465 38.487 0.003 0.000 1.435 433 N HN -0.249 nan 8.380 nan 0.000 0.532 434 E N 0.248 120.450 120.200 0.003 0.000 2.077 434 E HA -0.100 4.250 4.350 -0.001 0.000 0.193 434 E C 0.629 177.231 176.600 0.003 0.000 0.989 434 E CA 1.739 58.141 56.400 0.003 0.000 0.800 434 E CB -0.324 29.377 29.700 0.002 0.000 0.746 434 E HN 0.520 nan 8.360 nan 0.000 0.452 435 D N 0.227 120.629 120.400 0.004 0.000 2.117 435 D HA -0.159 4.481 4.640 -0.001 0.000 0.197 435 D C 1.867 178.170 176.300 0.005 0.000 0.987 435 D CA 0.965 54.968 54.000 0.004 0.000 0.829 435 D CB -0.251 40.552 40.800 0.005 0.000 0.961 435 D HN 0.377 nan 8.370 nan 0.000 0.460 436 Q N 0.099 119.902 119.800 0.005 0.000 2.226 436 Q HA -0.119 4.221 4.340 -0.001 0.000 0.204 436 Q C 1.638 177.640 176.000 0.005 0.000 0.975 436 Q CA 0.718 56.524 55.803 0.005 0.000 0.866 436 Q CB -0.022 28.719 28.738 0.005 0.000 0.915 436 Q HN 0.268 nan 8.270 nan 0.000 0.440 437 N N -0.026 118.677 118.700 0.004 0.000 2.135 437 N HA -0.093 4.646 4.740 -0.001 0.000 0.186 437 N C 1.868 177.381 175.510 0.004 0.000 1.027 437 N CA 0.843 53.896 53.050 0.004 0.000 0.849 437 N CB -0.333 38.156 38.487 0.003 0.000 1.002 437 N HN 0.011 nan 8.380 nan 0.000 0.425 438 V N 1.003 120.919 119.914 0.004 0.000 2.392 438 V HA -0.168 3.951 4.120 -0.001 0.000 0.249 438 V C 2.367 178.464 176.094 0.005 0.000 1.059 438 V CA 1.999 64.301 62.300 0.004 0.000 1.051 438 V CB -1.260 30.566 31.823 0.004 0.000 0.658 438 V HN 0.359 nan 8.190 nan 0.000 0.455 439 G N -0.195 108.608 108.800 0.006 0.000 2.440 439 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.218 439 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.218 439 G C 1.567 176.470 174.900 0.006 0.000 1.154 439 G CA 1.099 46.203 45.100 0.006 0.000 0.767 439 G HN 0.497 nan 8.290 nan 0.000 0.552 440 I N -0.018 120.555 120.570 0.005 0.000 2.163 440 I HA -0.090 4.080 4.170 -0.001 0.000 0.240 440 I C 2.751 178.871 176.117 0.005 0.000 1.081 440 I CA 1.063 62.366 61.300 0.005 0.000 1.353 440 I CB -0.096 37.907 38.000 0.004 0.000 1.054 440 I HN -0.026 nan 8.210 nan 0.000 0.407 441 K N 0.585 120.987 120.400 0.005 0.000 2.113 441 K HA -0.131 4.189 4.320 -0.001 0.000 0.208 441 K C 1.935 178.538 176.600 0.005 0.000 1.047 441 K CA 1.033 57.323 56.287 0.005 0.000 0.928 441 K CB -0.757 31.745 32.500 0.004 0.000 0.716 441 K HN 0.124 nan 8.250 nan 0.000 0.446 442 V N 0.522 120.440 119.914 0.006 0.000 2.287 442 V HA -0.302 3.818 4.120 -0.001 0.000 0.248 442 V C 2.187 178.285 176.094 0.007 0.000 1.053 442 V CA 2.124 64.428 62.300 0.007 0.000 1.027 442 V CB -0.730 31.098 31.823 0.007 0.000 0.646 442 V HN 0.395 nan 8.190 nan 0.000 0.447 443 A N -0.443 122.382 122.820 0.007 0.000 1.898 443 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 443 A C 2.176 179.764 177.584 0.007 0.000 1.181 443 A CA 1.697 53.738 52.037 0.007 0.000 0.620 443 A CB -0.494 18.510 19.000 0.006 0.000 0.819 443 A HN 0.506 nan 8.150 nan 0.000 0.442 444 L N -1.261 119.966 121.223 0.006 0.000 1.989 444 L HA -0.203 4.137 4.340 -0.001 0.000 0.211 444 L C 2.773 179.647 176.870 0.007 0.000 1.071 444 L CA 1.904 56.748 54.840 0.006 0.000 0.749 444 L CB -0.588 41.475 42.059 0.006 0.000 0.890 444 L HN 0.350 nan 8.230 nan 0.000 0.431 445 R N -0.017 120.487 120.500 0.007 0.000 2.139 445 R HA -0.199 4.141 4.340 -0.001 0.000 0.243 445 R C 2.276 178.581 176.300 0.008 0.000 1.145 445 R CA 1.457 57.561 56.100 0.007 0.000 0.976 445 R CB -0.257 30.047 30.300 0.006 0.000 0.866 445 R HN 0.428 nan 8.270 nan 0.000 0.449 446 A N -0.159 122.666 122.820 0.008 0.000 2.014 446 A HA -0.095 4.224 4.320 -0.001 0.000 0.218 446 A C 2.003 179.593 177.584 0.011 0.000 1.163 446 A CA 0.880 52.923 52.037 0.010 0.000 0.652 446 A CB -0.241 18.766 19.000 0.011 0.000 0.808 446 A HN 0.281 nan 8.150 nan 0.000 0.449 447 M N -0.539 119.068 119.600 0.010 0.000 2.358 447 M HA -0.143 4.337 4.480 -0.001 0.000 0.264 447 M C 1.623 177.931 176.300 0.013 0.000 1.064 447 M CA 1.140 56.447 55.300 0.011 0.000 1.093 447 M CB -0.181 32.425 32.600 0.010 0.000 1.401 447 M HN 0.470 nan 8.290 nan 0.000 0.440 448 E N -0.232 119.976 120.200 0.012 0.000 2.347 448 E HA -0.080 4.270 4.350 -0.001 0.000 0.196 448 E C 1.964 178.571 176.600 0.012 0.000 1.008 448 E CA 0.640 57.048 56.400 0.013 0.000 0.852 448 E CB 0.034 29.740 29.700 0.010 0.000 0.783 448 E HN 0.516 nan 8.360 nan 0.000 0.505 449 A N 1.982 124.809 122.820 0.012 0.000 1.902 449 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 449 A C -0.383 177.209 177.584 0.013 0.000 1.181 449 A CA 0.957 53.001 52.037 0.011 0.000 0.623 449 A CB -1.304 17.702 19.000 0.011 0.000 0.818 449 A HN 0.130 nan 8.150 nan 0.000 0.443 450 P HA -0.196 nan 4.420 nan 0.000 0.214 450 P C 1.838 179.150 177.300 0.020 0.000 1.163 450 P CA 0.887 63.998 63.100 0.018 0.000 0.889 450 P CB -0.180 31.532 31.700 0.020 0.000 0.790 451 L N -0.557 120.679 121.223 0.023 0.000 2.013 451 L HA -0.229 4.110 4.340 -0.001 0.000 0.212 451 L C 2.347 179.225 176.870 0.014 0.000 1.073 451 L CA 2.092 56.948 54.840 0.027 0.000 0.753 451 L CB -0.525 41.552 42.059 0.029 0.000 0.890 451 L HN -0.083 nan 8.230 nan 0.000 0.432 452 R N -0.938 119.566 120.500 0.006 0.000 2.120 452 R HA -0.182 4.157 4.340 -0.001 0.000 0.234 452 R C 2.325 178.624 176.300 -0.001 0.000 1.123 452 R CA 1.294 57.392 56.100 -0.003 0.000 0.975 452 R CB -0.087 30.212 30.300 -0.002 0.000 0.866 452 R HN 0.452 nan 8.270 nan 0.000 0.446 453 Q N 0.215 120.019 119.800 0.007 0.000 2.096 453 Q HA 0.001 4.341 4.340 -0.001 0.000 0.197 453 Q C 2.134 178.142 176.000 0.013 0.000 0.964 453 Q CA 1.138 56.947 55.803 0.008 0.000 0.838 453 Q CB 0.032 28.776 28.738 0.011 0.000 0.906 453 Q HN 0.359 nan 8.270 nan 0.000 0.444 454 I N -0.048 120.535 120.570 0.021 0.000 2.118 454 I HA -0.299 3.870 4.170 -0.001 0.000 0.241 454 I C 2.257 178.398 176.117 0.039 0.000 1.070 454 I CA 1.053 62.373 61.300 0.033 0.000 1.327 454 I CB -0.385 37.643 38.000 0.047 0.000 1.034 454 I HN -0.031 nan 8.210 nan 0.000 0.405 455 V N 0.498 120.427 119.914 0.025 0.000 2.490 455 V HA -0.261 3.859 4.120 -0.001 0.000 0.250 455 V C 2.289 178.380 176.094 -0.006 0.000 1.061 455 V CA 1.641 63.939 62.300 -0.004 0.000 1.064 455 V CB -0.405 31.364 31.823 -0.091 0.000 0.670 455 V HN 0.369 nan 8.190 nan 0.000 0.461 456 L N 0.207 121.427 121.223 -0.004 0.000 2.109 456 L HA -0.057 4.283 4.340 -0.001 0.000 0.207 456 L C 1.994 178.867 176.870 0.004 0.000 1.086 456 L CA 1.824 56.662 54.840 -0.004 0.000 0.760 456 L CB -0.659 41.398 42.059 -0.003 0.000 0.910 456 L HN 0.352 nan 8.230 nan 0.000 0.437 457 N N -1.821 116.885 118.700 0.010 0.000 2.585 457 N HA -0.158 4.581 4.740 -0.001 0.000 0.188 457 N C 1.169 176.688 175.510 0.015 0.000 1.102 457 N CA 0.861 53.917 53.050 0.011 0.000 0.920 457 N CB -0.153 38.341 38.487 0.012 0.000 0.963 457 N HN 0.406 nan 8.380 nan 0.000 0.447 458 C N -0.289 119.025 119.300 0.023 0.000 2.791 458 C HA 0.283 4.742 4.460 -0.001 0.000 0.270 458 C C 1.700 176.702 174.990 0.020 0.000 1.257 458 C CA -0.096 58.940 59.018 0.030 0.000 1.699 458 C CB -0.876 26.902 27.740 0.063 0.000 1.904 458 C HN 0.616 nan 8.230 nan 0.000 0.603 459 G N 1.598 110.405 108.800 0.011 0.000 2.153 459 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.252 459 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.252 459 G C -0.291 174.610 174.900 0.002 0.000 0.994 459 G CA 0.323 45.426 45.100 0.006 0.000 0.698 459 G HN 0.627 nan 8.290 nan 0.000 0.521 460 E N 0.145 120.342 120.200 -0.004 0.000 2.249 460 E HA 0.447 4.797 4.350 -0.001 0.000 0.263 460 E C -0.059 176.518 176.600 -0.039 0.000 0.950 460 E CA -0.894 55.494 56.400 -0.020 0.000 0.827 460 E CB 0.872 30.555 29.700 -0.030 0.000 1.220 460 E HN 0.357 nan 8.360 nan 0.000 0.411 461 E N 2.370 122.544 120.200 -0.044 0.000 2.292 461 E HA 0.017 4.366 4.350 -0.001 0.000 0.265 461 E C -1.945 174.618 176.600 -0.062 0.000 1.093 461 E CA -1.317 55.059 56.400 -0.040 0.000 0.922 461 E CB 0.587 30.271 29.700 -0.028 0.000 1.001 461 E HN 0.287 nan 8.360 nan 0.000 0.444 462 P HA -0.092 nan 4.420 nan 0.000 0.220 462 P C 1.333 178.605 177.300 -0.046 0.000 1.154 462 P CA 0.750 63.818 63.100 -0.055 0.000 0.830 462 P CB 0.232 31.913 31.700 -0.031 0.000 0.803 463 S N -0.549 115.132 115.700 -0.031 0.000 2.402 463 S HA -0.075 4.394 4.470 -0.001 0.000 0.229 463 S C 2.057 176.642 174.600 -0.024 0.000 1.021 463 S CA 0.930 59.117 58.200 -0.022 0.000 0.974 463 S CB -1.767 61.425 63.200 -0.014 0.000 0.800 463 S HN -0.074 nan 8.310 nan 0.000 0.484 464 V N 1.711 121.608 119.914 -0.029 0.000 2.358 464 V HA -0.121 3.999 4.120 -0.001 0.000 0.246 464 V C 2.577 178.657 176.094 -0.024 0.000 1.047 464 V CA 1.447 63.734 62.300 -0.022 0.000 1.035 464 V CB -0.656 31.158 31.823 -0.015 0.000 0.658 464 V HN 0.415 nan 8.190 nan 0.000 0.452 465 V N 0.123 119.999 119.914 -0.065 0.000 2.295 465 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 465 V C 2.696 178.780 176.094 -0.017 0.000 1.049 465 V CA 2.058 64.310 62.300 -0.079 0.000 1.024 465 V CB -1.068 30.557 31.823 -0.330 0.000 0.648 465 V HN 0.562 nan 8.190 nan 0.000 0.447 466 A N 0.344 123.147 122.820 -0.028 0.000 1.865 466 A HA -0.288 4.032 4.320 -0.001 0.000 0.217 466 A C 2.041 179.626 177.584 0.003 0.000 1.191 466 A CA 2.295 54.331 52.037 -0.003 0.000 0.623 466 A CB -0.885 18.112 19.000 -0.006 0.000 0.826 466 A HN 0.588 nan 8.150 nan 0.000 0.444 467 N N -0.190 118.506 118.700 -0.007 0.000 2.049 467 N HA -0.187 4.553 4.740 -0.001 0.000 0.198 467 N C 1.980 177.481 175.510 -0.015 0.000 1.030 467 N CA 2.605 55.649 53.050 -0.009 0.000 0.870 467 N CB -0.945 37.534 38.487 -0.014 0.000 1.045 467 N HN 0.728 nan 8.380 nan 0.000 0.434 468 T N -1.913 112.617 114.554 -0.040 0.000 2.951 468 T HA 0.033 4.382 4.350 -0.001 0.000 0.268 468 T C 1.949 176.634 174.700 -0.024 0.000 1.073 468 T CA 0.770 62.813 62.100 -0.095 0.000 1.134 468 T CB -0.466 68.244 68.868 -0.263 0.000 0.884 468 T HN -0.043 nan 8.240 nan 0.000 0.479 469 V N 1.513 121.441 119.914 0.023 0.000 2.453 469 V HA -0.021 4.099 4.120 -0.001 0.000 0.247 469 V C 2.675 178.848 176.094 0.133 0.000 1.048 469 V CA 1.566 63.929 62.300 0.105 0.000 1.049 469 V CB -0.476 31.398 31.823 0.085 0.000 0.672 469 V HN 0.519 nan 8.190 nan 0.000 0.457 470 K N 0.382 120.823 120.400 0.068 0.000 2.365 470 K HA 0.002 4.322 4.320 -0.001 0.000 0.199 470 K C 2.097 178.720 176.600 0.038 0.000 1.045 470 K CA 0.962 57.279 56.287 0.051 0.000 0.962 470 K CB -0.339 32.178 32.500 0.027 0.000 0.759 470 K HN 0.542 nan 8.250 nan 0.000 0.469 471 G N 1.206 110.025 108.800 0.030 0.000 2.509 471 G HA2 -0.088 3.872 3.960 -0.001 0.000 0.218 471 G HA3 -0.088 3.872 3.960 -0.001 0.000 0.218 471 G C 0.713 175.595 174.900 -0.031 0.000 1.124 471 G CA 0.578 45.674 45.100 -0.007 0.000 0.776 471 G HN 0.346 nan 8.290 nan 0.000 0.547 472 G N -1.090 107.726 108.800 0.027 0.000 2.702 472 G HA2 0.543 4.502 3.960 -0.001 0.000 0.254 472 G HA3 0.543 4.502 3.960 -0.001 0.000 0.254 472 G C -1.154 173.749 174.900 0.005 0.000 1.380 472 G CA -0.481 44.578 45.100 -0.069 0.000 1.042 472 G HN 0.108 nan 8.290 nan 0.000 0.557 473 D N -2.140 118.263 120.400 0.005 0.000 2.579 473 D HA 0.502 5.142 4.640 -0.001 0.000 0.257 473 D C 0.935 177.281 176.300 0.077 0.000 1.176 473 D CA 0.527 54.545 54.000 0.030 0.000 0.914 473 D CB 1.667 42.458 40.800 -0.013 0.000 1.431 473 D HN 0.849 nan 8.370 nan 0.000 0.454 474 G N 1.238 110.073 108.800 0.058 0.000 2.685 474 G HA2 -0.382 3.578 3.960 -0.001 0.000 0.329 474 G HA3 -0.382 3.578 3.960 -0.001 0.000 0.329 474 G C 0.343 175.297 174.900 0.090 0.000 1.271 474 G CA 0.757 45.894 45.100 0.062 0.000 1.003 474 G HN 0.649 nan 8.290 nan 0.000 0.549 475 N N -0.114 118.646 118.700 0.100 0.000 2.295 475 N HA 0.293 5.032 4.740 -0.001 0.000 0.221 475 N C -0.143 175.458 175.510 0.152 0.000 1.129 475 N CA -0.269 52.841 53.050 0.100 0.000 0.836 475 N CB 0.294 38.823 38.487 0.070 0.000 1.040 475 N HN 0.450 nan 8.380 nan 0.000 0.494 476 Y N 1.332 121.659 120.300 0.044 0.000 2.442 476 Y HA 0.408 4.958 4.550 -0.000 0.000 0.330 476 Y C 0.617 176.576 175.900 0.098 0.000 1.129 476 Y CA 0.052 58.191 58.100 0.065 0.000 1.365 476 Y CB 0.347 38.835 38.460 0.047 0.000 1.233 476 Y HN 0.006 nan 8.280 nan 0.000 0.529 477 G N 3.974 112.616 108.800 -0.264 0.000 2.749 477 G HA2 0.259 4.219 3.960 -0.001 0.000 0.300 477 G HA3 0.259 4.219 3.960 -0.001 0.000 0.300 477 G C -2.427 172.421 174.900 -0.086 0.000 1.352 477 G CA -0.883 44.123 45.100 -0.158 0.000 0.789 477 G HN 0.497 nan 8.290 nan 0.000 0.509 478 Y N 1.379 121.617 120.300 -0.104 0.000 2.330 478 Y HA 0.579 5.129 4.550 -0.001 0.000 0.336 478 Y C -0.096 175.700 175.900 -0.174 0.000 1.036 478 Y CA -1.455 56.531 58.100 -0.190 0.000 1.125 478 Y CB 1.584 39.948 38.460 -0.159 0.000 1.194 478 Y HN 0.410 nan 8.280 nan 0.000 0.469 479 N N 4.617 122.887 118.700 -0.716 0.000 2.527 479 N HA 0.242 4.981 4.740 -0.001 0.000 0.236 479 N C 0.290 175.317 175.510 -0.804 0.000 0.999 479 N CA 0.432 53.157 53.050 -0.542 0.000 0.935 479 N CB 1.330 39.600 38.487 -0.362 0.000 1.132 479 N HN 0.888 nan 8.380 nan 0.000 0.511 480 A N 3.857 126.395 122.820 -0.470 0.000 1.933 480 A HA -0.053 4.266 4.320 -0.001 0.000 0.218 480 A C 2.095 179.555 177.584 -0.206 0.000 1.175 480 A CA 1.732 53.612 52.037 -0.262 0.000 0.628 480 A CB -0.665 18.338 19.000 0.005 0.000 0.814 480 A HN 0.707 nan 8.150 nan 0.000 0.444 481 A N -0.347 122.366 122.820 -0.179 0.000 1.865 481 A HA -0.154 4.166 4.320 -0.001 0.000 0.217 481 A C 2.392 179.888 177.584 -0.147 0.000 1.191 481 A CA 2.713 54.674 52.037 -0.127 0.000 0.623 481 A CB -1.195 17.745 19.000 -0.100 0.000 0.826 481 A HN 0.880 nan 8.150 nan 0.000 0.444 482 T N -4.491 109.937 114.554 -0.210 0.000 3.060 482 T HA 0.285 4.635 4.350 -0.001 0.000 0.249 482 T C 0.373 174.937 174.700 -0.227 0.000 1.079 482 T CA 0.851 62.842 62.100 -0.182 0.000 1.013 482 T CB -0.140 68.634 68.868 -0.157 0.000 0.975 482 T HN 0.560 nan 8.240 nan 0.000 0.518 483 E N 1.264 121.238 120.200 -0.375 0.000 2.868 483 E HA -0.164 4.185 4.350 -0.001 0.000 0.278 483 E C -0.265 176.119 176.600 -0.360 0.000 1.009 483 E CA 0.930 57.117 56.400 -0.355 0.000 0.856 483 E CB -1.292 28.354 29.700 -0.090 0.000 1.428 483 E HN 0.969 nan 8.360 nan 0.000 0.423 484 E N -0.801 119.094 120.200 -0.508 0.000 2.367 484 E HA 0.477 4.827 4.350 -0.001 0.000 0.273 484 E C -0.766 175.572 176.600 -0.437 0.000 0.903 484 E CA -0.968 55.222 56.400 -0.351 0.000 0.764 484 E CB 0.987 30.620 29.700 -0.112 0.000 1.252 484 E HN 0.047 nan 8.360 nan 0.000 0.446 485 Y N 0.356 120.637 120.300 -0.032 0.000 2.300 485 Y HA 0.637 5.187 4.550 -0.000 0.000 0.328 485 Y C 1.100 176.955 175.900 -0.074 0.000 1.270 485 Y CA 0.844 58.878 58.100 -0.111 0.000 1.352 485 Y CB 1.701 40.101 38.460 -0.099 0.000 1.286 485 Y HN 0.852 nan 8.280 nan 0.000 0.536 486 G N 0.576 109.381 108.800 0.008 0.000 2.325 486 G HA2 0.028 3.988 3.960 -0.001 0.000 0.295 486 G HA3 0.028 3.988 3.960 -0.001 0.000 0.295 486 G C -1.982 172.987 174.900 0.114 0.000 1.274 486 G CA -1.163 44.011 45.100 0.123 0.000 0.857 486 G HN 0.542 nan 8.290 nan 0.000 0.499 487 N N 0.997 119.773 118.700 0.126 0.000 2.408 487 N HA 0.139 4.879 4.740 -0.001 0.000 0.257 487 N C 1.627 177.166 175.510 0.048 0.000 1.064 487 N CA -0.557 52.558 53.050 0.109 0.000 0.952 487 N CB 0.918 39.464 38.487 0.099 0.000 1.093 487 N HN 0.381 nan 8.380 nan 0.000 0.490 488 M N 3.390 123.011 119.600 0.036 0.000 2.159 488 M HA -0.140 4.340 4.480 -0.001 0.000 0.263 488 M C 1.569 177.876 176.300 0.011 0.000 1.063 488 M CA 1.013 56.318 55.300 0.009 0.000 1.110 488 M CB -0.559 32.046 32.600 0.008 0.000 1.374 488 M HN 0.536 nan 8.290 nan 0.000 0.411 489 I N 0.480 121.063 120.570 0.023 0.000 2.315 489 I HA -0.229 3.941 4.170 -0.001 0.000 0.248 489 I C 1.808 177.934 176.117 0.014 0.000 1.117 489 I CA 1.294 62.605 61.300 0.018 0.000 1.404 489 I CB -1.436 36.578 38.000 0.022 0.000 1.071 489 I HN 0.239 nan 8.210 nan 0.000 0.419 490 D N 0.637 121.049 120.400 0.019 0.000 2.183 490 D HA -0.080 4.559 4.640 -0.001 0.000 0.203 490 D C 2.200 178.503 176.300 0.006 0.000 0.969 490 D CA 0.966 54.976 54.000 0.016 0.000 0.842 490 D CB -0.016 40.799 40.800 0.025 0.000 0.957 490 D HN 0.337 nan 8.370 nan 0.000 0.484 491 M N -0.784 118.816 119.600 -0.000 0.000 2.618 491 M HA 0.160 4.640 4.480 -0.001 0.000 0.240 491 M C 1.213 177.503 176.300 -0.017 0.000 1.123 491 M CA 0.549 55.839 55.300 -0.015 0.000 1.060 491 M CB 0.451 33.031 32.600 -0.033 0.000 1.535 491 M HN 0.022 nan 8.290 nan 0.000 0.507 492 G N 2.061 110.856 108.800 -0.008 0.000 2.155 492 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.257 492 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.257 492 G C 0.179 175.074 174.900 -0.009 0.000 0.983 492 G CA -0.157 44.939 45.100 -0.007 0.000 0.676 492 G HN 0.556 nan 8.290 nan 0.000 0.528 493 I N 1.803 122.365 120.570 -0.013 0.000 2.213 493 I HA 0.299 4.469 4.170 -0.001 0.000 0.295 493 I C 0.593 176.708 176.117 -0.003 0.000 1.172 493 I CA -0.090 61.202 61.300 -0.014 0.000 1.443 493 I CB -0.167 37.817 38.000 -0.027 0.000 1.491 493 I HN 0.082 nan 8.210 nan 0.000 0.652 494 L N 3.162 124.386 121.223 0.002 0.000 2.296 494 L HA 0.595 4.935 4.340 -0.001 0.000 0.286 494 L C -0.555 176.321 176.870 0.010 0.000 1.023 494 L CA -0.963 53.881 54.840 0.007 0.000 0.812 494 L CB 1.102 43.166 42.059 0.009 0.000 1.223 494 L HN 0.205 nan 8.230 nan 0.000 0.421 495 D N 2.879 123.286 120.400 0.012 0.000 2.225 495 D HA 0.402 5.042 4.640 -0.001 0.000 0.249 495 D C -2.459 173.851 176.300 0.016 0.000 1.052 495 D CA -1.485 52.524 54.000 0.015 0.000 0.909 495 D CB 1.546 42.355 40.800 0.016 0.000 1.186 495 D HN 0.268 nan 8.370 nan 0.000 0.431 496 P HA 0.156 nan 4.420 nan 0.000 0.278 496 P C 0.627 177.936 177.300 0.016 0.000 1.238 496 P CA -0.280 62.832 63.100 0.019 0.000 0.794 496 P CB 0.767 32.482 31.700 0.025 0.000 0.955 497 T N 1.587 116.148 114.554 0.011 0.000 2.674 497 T HA -0.186 4.164 4.350 -0.001 0.000 0.265 497 T C 1.637 176.339 174.700 0.002 0.000 1.039 497 T CA 1.369 63.472 62.100 0.006 0.000 1.150 497 T CB -0.489 68.381 68.868 0.003 0.000 0.864 497 T HN 0.496 nan 8.240 nan 0.000 0.427 498 K N 0.875 121.279 120.400 0.006 0.000 2.107 498 K HA -0.189 4.130 4.320 -0.001 0.000 0.211 498 K C 2.377 178.984 176.600 0.012 0.000 1.049 498 K CA 1.862 58.153 56.287 0.006 0.000 0.927 498 K CB -0.515 31.996 32.500 0.019 0.000 0.714 498 K HN 0.314 nan 8.250 nan 0.000 0.452 499 V N -0.163 119.766 119.914 0.024 0.000 2.358 499 V HA -0.189 3.931 4.120 -0.001 0.000 0.246 499 V C 1.755 177.858 176.094 0.015 0.000 1.047 499 V CA 2.468 64.787 62.300 0.032 0.000 1.035 499 V CB -0.754 31.095 31.823 0.044 0.000 0.658 499 V HN 0.408 nan 8.190 nan 0.000 0.452 500 T N 0.644 115.202 114.554 0.007 0.000 2.708 500 T HA -0.141 4.208 4.350 -0.001 0.000 0.266 500 T C 2.047 176.735 174.700 -0.019 0.000 1.037 500 T CA 1.826 63.927 62.100 0.001 0.000 1.146 500 T CB -0.461 68.409 68.868 0.003 0.000 0.865 500 T HN 0.500 nan 8.240 nan 0.000 0.435 501 R N 1.173 121.654 120.500 -0.032 0.000 2.097 501 R HA -0.118 4.222 4.340 -0.001 0.000 0.236 501 R C 2.548 178.775 176.300 -0.122 0.000 1.135 501 R CA 2.049 58.111 56.100 -0.063 0.000 0.934 501 R CB -0.824 29.442 30.300 -0.057 0.000 0.846 501 R HN 0.303 nan 8.270 nan 0.000 0.431 502 S N 0.515 116.139 115.700 -0.126 0.000 2.368 502 S HA -0.113 4.357 4.470 -0.001 0.000 0.225 502 S C 2.022 176.522 174.600 -0.167 0.000 1.030 502 S CA 1.134 59.186 58.200 -0.247 0.000 0.999 502 S CB -0.303 62.858 63.200 -0.064 0.000 0.844 502 S HN 0.576 nan 8.310 nan 0.000 0.459 503 A N 1.871 124.682 122.820 -0.014 0.000 1.884 503 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 503 A C 2.120 179.704 177.584 -0.000 0.000 1.197 503 A CA 1.508 53.570 52.037 0.041 0.000 0.637 503 A CB -0.945 18.076 19.000 0.035 0.000 0.827 503 A HN 0.460 nan 8.150 nan 0.000 0.450 504 L N -0.768 120.429 121.223 -0.045 0.000 2.027 504 L HA -0.233 4.107 4.340 -0.001 0.000 0.206 504 L C 2.771 179.602 176.870 -0.066 0.000 1.074 504 L CA 2.250 57.066 54.840 -0.039 0.000 0.745 504 L CB -0.836 41.200 42.059 -0.038 0.000 0.898 504 L HN 0.568 nan 8.230 nan 0.000 0.433 505 Q N -1.039 118.662 119.800 -0.166 0.000 2.030 505 Q HA -0.264 4.075 4.340 -0.001 0.000 0.204 505 Q C 2.070 178.008 176.000 -0.103 0.000 0.986 505 Q CA 2.210 57.892 55.803 -0.201 0.000 0.843 505 Q CB -0.292 28.228 28.738 -0.363 0.000 0.904 505 Q HN 0.475 nan 8.270 nan 0.000 0.420 506 Y N -0.038 120.269 120.300 0.011 0.000 2.163 506 Y HA -0.162 4.388 4.550 -0.000 0.000 0.288 506 Y C 2.397 178.303 175.900 0.010 0.000 1.136 506 Y CA 0.750 58.856 58.100 0.011 0.000 1.147 506 Y CB -1.113 37.354 38.460 0.011 0.000 0.987 506 Y HN 0.140 nan 8.280 nan 0.000 0.509 507 A N 0.280 123.195 122.820 0.160 0.000 1.883 507 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 507 A C 2.536 180.161 177.584 0.068 0.000 1.186 507 A CA 2.306 54.399 52.037 0.093 0.000 0.624 507 A CB -1.311 17.726 19.000 0.063 0.000 0.822 507 A HN 0.403 nan 8.150 nan 0.000 0.444 508 A N -0.835 122.015 122.820 0.050 0.000 1.883 508 A HA -0.138 4.181 4.320 -0.001 0.000 0.217 508 A C 2.494 180.105 177.584 0.045 0.000 1.186 508 A CA 2.352 54.410 52.037 0.035 0.000 0.624 508 A CB -1.154 17.856 19.000 0.016 0.000 0.822 508 A HN 0.623 nan 8.150 nan 0.000 0.444 509 S N -0.556 115.184 115.700 0.066 0.000 2.359 509 S HA -0.183 4.287 4.470 -0.001 0.000 0.222 509 S C 1.958 176.595 174.600 0.062 0.000 1.038 509 S CA 2.240 60.484 58.200 0.074 0.000 1.051 509 S CB -0.740 62.533 63.200 0.121 0.000 0.944 509 S HN 0.430 nan 8.310 nan 0.000 0.433 510 V N 2.282 122.238 119.914 0.069 0.000 2.237 510 V HA -0.063 4.056 4.120 -0.001 0.000 0.245 510 V C 2.924 179.041 176.094 0.037 0.000 1.046 510 V CA 1.796 64.124 62.300 0.047 0.000 1.007 510 V CB -1.697 30.150 31.823 0.041 0.000 0.638 510 V HN 0.615 nan 8.190 nan 0.000 0.445 511 A N 0.909 123.752 122.820 0.038 0.000 2.019 511 A HA -0.043 4.277 4.320 -0.001 0.000 0.219 511 A C 2.361 179.960 177.584 0.025 0.000 1.164 511 A CA 1.859 53.913 52.037 0.029 0.000 0.644 511 A CB -1.252 17.765 19.000 0.028 0.000 0.805 511 A HN 0.572 nan 8.150 nan 0.000 0.449 512 G N -0.091 108.725 108.800 0.027 0.000 2.421 512 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.216 512 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.216 512 G C 1.558 176.471 174.900 0.022 0.000 1.171 512 G CA 1.025 46.139 45.100 0.023 0.000 0.775 512 G HN 0.429 nan 8.290 nan 0.000 0.543 513 L N -0.516 120.721 121.223 0.025 0.000 2.046 513 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 513 L C 2.942 179.825 176.870 0.021 0.000 1.077 513 L CA 1.360 56.213 54.840 0.023 0.000 0.747 513 L CB -0.250 41.824 42.059 0.024 0.000 0.896 513 L HN 0.274 nan 8.230 nan 0.000 0.432 514 M N 0.073 119.686 119.600 0.021 0.000 2.149 514 M HA -0.224 4.255 4.480 -0.001 0.000 0.261 514 M C 1.986 178.297 176.300 0.018 0.000 1.064 514 M CA 1.822 57.134 55.300 0.020 0.000 1.102 514 M CB -0.125 32.487 32.600 0.020 0.000 1.369 514 M HN 0.311 nan 8.290 nan 0.000 0.408 515 I N -2.795 117.785 120.570 0.017 0.000 3.291 515 I HA -0.005 4.165 4.170 -0.001 0.000 0.279 515 I C 1.496 177.623 176.117 0.015 0.000 1.294 515 I CA 1.049 62.358 61.300 0.015 0.000 1.428 515 I CB -1.027 36.981 38.000 0.014 0.000 1.070 515 I HN 0.228 nan 8.210 nan 0.000 0.478 516 T N -2.517 112.047 114.554 0.017 0.000 3.235 516 T HA 0.174 4.524 4.350 -0.001 0.000 0.251 516 T C 0.666 175.379 174.700 0.022 0.000 1.060 516 T CA -0.244 61.868 62.100 0.019 0.000 0.949 516 T CB -0.896 67.984 68.868 0.019 0.000 1.020 516 T HN 0.198 nan 8.240 nan 0.000 0.564 517 T N 2.553 117.119 114.554 0.019 0.000 2.761 517 T HA 0.279 4.628 4.350 -0.001 0.000 0.296 517 T C 0.760 175.474 174.700 0.023 0.000 0.934 517 T CA -0.221 61.891 62.100 0.019 0.000 1.091 517 T CB 1.410 70.286 68.868 0.013 0.000 0.896 517 T HN 0.353 nan 8.240 nan 0.000 0.515 518 E N 1.491 121.713 120.200 0.036 0.000 2.434 518 E HA 0.202 4.551 4.350 -0.001 0.000 0.207 518 E C 0.013 176.660 176.600 0.078 0.000 0.929 518 E CA -0.023 56.416 56.400 0.065 0.000 1.001 518 E CB 0.497 30.249 29.700 0.086 0.000 1.016 518 E HN 0.590 nan 8.360 nan 0.000 0.502 519 C N 0.257 119.564 119.300 0.012 0.000 2.985 519 C HA 0.744 5.204 4.460 -0.001 0.000 0.314 519 C C -1.524 173.394 174.990 -0.119 0.000 1.215 519 C CA -0.704 58.240 59.018 -0.124 0.000 1.414 519 C CB 0.582 28.268 27.740 -0.089 0.000 1.842 519 C HN 0.316 nan 8.230 nan 0.000 0.477 520 M N 4.475 123.972 119.600 -0.172 0.000 2.393 520 M HA 0.572 5.052 4.480 -0.001 0.000 0.299 520 M C -1.267 175.074 176.300 0.068 0.000 1.103 520 M CA -0.570 54.734 55.300 0.007 0.000 0.910 520 M CB 2.234 34.911 32.600 0.129 0.000 1.659 520 M HN 0.381 nan 8.290 nan 0.000 0.445 521 V N 1.543 121.489 119.914 0.054 0.000 2.409 521 V HA 0.650 4.769 4.120 -0.001 0.000 0.290 521 V C -0.382 175.688 176.094 -0.040 0.000 1.017 521 V CA -0.345 61.962 62.300 0.012 0.000 0.841 521 V CB 1.734 33.546 31.823 -0.019 0.000 1.003 521 V HN 0.959 nan 8.190 nan 0.000 0.426 522 T N 2.199 116.680 114.554 -0.122 0.000 2.812 522 T HA 0.456 4.806 4.350 -0.001 0.000 0.294 522 T C -1.022 173.556 174.700 -0.203 0.000 1.159 522 T CA -0.519 61.447 62.100 -0.223 0.000 1.008 522 T CB 1.913 70.519 68.868 -0.437 0.000 1.289 522 T HN 0.580 nan 8.240 nan 0.000 0.514 523 D N 1.265 121.558 120.400 -0.179 0.000 2.361 523 D HA 0.298 4.937 4.640 -0.001 0.000 0.239 523 D C 0.203 176.412 176.300 -0.151 0.000 1.200 523 D CA 0.082 54.003 54.000 -0.131 0.000 0.915 523 D CB 0.336 41.075 40.800 -0.102 0.000 1.170 523 D HN 0.377 nan 8.370 nan 0.000 0.444 524 L N 2.287 123.455 121.223 -0.092 0.000 2.417 524 L HA 0.245 4.585 4.340 -0.001 0.000 0.268 524 L C -1.381 175.448 176.870 -0.069 0.000 1.158 524 L CA -1.478 53.320 54.840 -0.070 0.000 0.819 524 L CB 0.334 42.373 42.059 -0.033 0.000 1.112 524 L HN 0.343 nan 8.230 nan 0.000 0.458 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.075 63.100 -0.041 0.000 0.800 525 P CB 0.000 31.689 31.700 -0.019 0.000 0.726