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 1j4z_1_F DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.269 124.087 122.820 -0.003 0.000 2.547 3 A HA 0.389 4.709 4.320 0.000 0.000 0.269 3 A C 0.441 178.020 177.584 -0.007 0.000 1.041 3 A CA 0.694 52.729 52.037 -0.004 0.000 0.855 3 A CB -0.706 18.289 19.000 -0.009 0.000 0.934 3 A HN 0.554 nan 8.150 nan 0.000 0.521 4 K N 1.846 122.246 120.400 0.001 0.000 2.109 4 K HA 0.408 4.728 4.320 0.000 0.000 0.243 4 K C -0.547 176.052 176.600 -0.001 0.000 1.006 4 K CA -0.639 55.650 56.287 0.004 0.000 0.917 4 K CB 0.860 33.373 32.500 0.023 0.000 1.081 4 K HN 0.729 nan 8.250 nan 0.000 0.468 5 D N 0.264 120.667 120.400 0.006 0.000 2.362 5 D HA 0.411 5.051 4.640 0.000 0.000 0.247 5 D C -1.469 174.883 176.300 0.088 0.000 1.050 5 D CA -0.686 53.320 54.000 0.011 0.000 0.839 5 D CB 1.468 42.232 40.800 -0.060 0.000 1.283 5 D HN 0.043 nan 8.370 nan 0.000 0.477 6 V N 3.854 123.773 119.914 0.009 0.000 2.577 6 V HA 0.446 4.566 4.120 0.000 0.000 0.303 6 V C -0.233 175.633 176.094 -0.380 0.000 1.042 6 V CA -0.750 61.470 62.300 -0.133 0.000 0.872 6 V CB 2.033 33.734 31.823 -0.204 0.000 0.998 6 V HN 0.455 nan 8.190 nan 0.000 0.423 7 K N 3.448 123.566 120.400 -0.471 0.000 2.375 7 K HA 0.815 5.135 4.320 0.000 0.000 0.249 7 K C -1.715 174.549 176.600 -0.561 0.000 0.942 7 K CA -0.498 55.464 56.287 -0.541 0.000 0.806 7 K CB 2.341 34.651 32.500 -0.316 0.000 1.227 7 K HN 0.444 nan 8.250 nan 0.000 0.430 8 F N -0.249 119.658 119.950 -0.072 0.000 2.640 8 F HA 0.578 5.105 4.527 0.000 0.000 0.324 8 F C 0.911 176.677 175.800 -0.057 0.000 1.077 8 F CA -0.453 57.507 58.000 -0.067 0.000 0.965 8 F CB 1.159 40.137 39.000 -0.037 0.000 1.351 8 F HN 0.772 nan 8.300 nan 0.000 0.487 9 G N 1.312 110.213 108.800 0.169 0.000 2.601 9 G HA2 -0.343 3.617 3.960 0.000 0.000 0.261 9 G HA3 -0.343 3.617 3.960 0.000 0.000 0.261 9 G C 0.842 175.761 174.900 0.032 0.000 1.289 9 G CA 0.457 45.602 45.100 0.075 0.000 0.920 9 G HN 0.832 nan 8.290 nan 0.000 0.571 10 N N 0.290 119.004 118.700 0.023 0.000 2.100 10 N HA -0.279 4.461 4.740 0.000 0.000 0.199 10 N C 1.736 177.244 175.510 -0.003 0.000 1.017 10 N CA 2.296 55.351 53.050 0.009 0.000 0.890 10 N CB -0.395 38.100 38.487 0.013 0.000 1.080 10 N HN 0.695 nan 8.380 nan 0.000 0.525 11 D N 0.733 121.133 120.400 0.001 0.000 2.303 11 D HA -0.259 4.381 4.640 0.000 0.000 0.190 11 D C 1.835 178.093 176.300 -0.070 0.000 1.011 11 D CA 1.873 55.865 54.000 -0.013 0.000 0.860 11 D CB -0.776 40.020 40.800 -0.007 0.000 0.961 11 D HN 0.434 nan 8.370 nan 0.000 0.453 12 A N 0.007 122.756 122.820 -0.118 0.000 2.042 12 A HA -0.260 4.060 4.320 0.000 0.000 0.222 12 A C 2.124 179.613 177.584 -0.159 0.000 1.167 12 A CA 1.915 53.814 52.037 -0.229 0.000 0.649 12 A CB -0.379 18.526 19.000 -0.157 0.000 0.809 12 A HN 0.182 nan 8.150 nan 0.000 0.457 13 R N -1.053 119.402 120.500 -0.074 0.000 2.062 13 R HA 0.009 4.349 4.340 0.000 0.000 0.218 13 R C 2.238 178.522 176.300 -0.026 0.000 1.161 13 R CA 1.130 57.203 56.100 -0.045 0.000 0.994 13 R CB -0.769 29.518 30.300 -0.023 0.000 0.888 13 R HN 0.511 nan 8.270 nan 0.000 0.442 14 V N 0.879 120.785 119.914 -0.013 0.000 2.439 14 V HA -0.292 3.828 4.120 0.000 0.000 0.253 14 V C 1.874 177.975 176.094 0.011 0.000 1.074 14 V CA 1.698 63.999 62.300 0.002 0.000 1.076 14 V CB -0.525 31.303 31.823 0.009 0.000 0.664 14 V HN 0.147 nan 8.190 nan 0.000 0.461 15 K N -0.083 120.323 120.400 0.011 0.000 2.026 15 K HA -0.013 4.307 4.320 0.000 0.000 0.208 15 K C 2.265 178.886 176.600 0.035 0.000 1.048 15 K CA 2.126 58.443 56.287 0.050 0.000 0.929 15 K CB -0.562 31.994 32.500 0.092 0.000 0.713 15 K HN 0.549 nan 8.250 nan 0.000 0.439 16 M N 0.487 120.086 119.600 -0.002 0.000 2.080 16 M HA -0.213 4.267 4.480 0.000 0.000 0.260 16 M C 2.220 178.525 176.300 0.008 0.000 1.068 16 M CA 1.254 56.554 55.300 0.001 0.000 1.109 16 M CB -0.441 32.146 32.600 -0.022 0.000 1.342 16 M HN 0.069 nan 8.290 nan 0.000 0.405 17 L N 0.772 121.997 121.223 0.004 0.000 1.943 17 L HA -0.223 4.117 4.340 0.000 0.000 0.215 17 L C 2.430 179.306 176.870 0.010 0.000 1.074 17 L CA 2.108 56.951 54.840 0.006 0.000 0.759 17 L CB -1.030 41.031 42.059 0.004 0.000 0.888 17 L HN 0.158 nan 8.230 nan 0.000 0.433 18 R N 0.325 120.833 120.500 0.014 0.000 2.154 18 R HA -0.134 4.206 4.340 0.000 0.000 0.248 18 R C 2.114 178.425 176.300 0.018 0.000 1.155 18 R CA 1.810 57.920 56.100 0.016 0.000 0.979 18 R CB -1.538 28.774 30.300 0.021 0.000 0.869 18 R HN 0.628 nan 8.270 nan 0.000 0.452 19 G N -0.563 108.252 108.800 0.024 0.000 2.408 19 G HA2 -0.186 3.774 3.960 0.000 0.000 0.217 19 G HA3 -0.186 3.774 3.960 0.000 0.000 0.217 19 G C 1.420 176.330 174.900 0.016 0.000 1.150 19 G CA 1.043 46.159 45.100 0.026 0.000 0.776 19 G HN 0.373 nan 8.290 nan 0.000 0.542 20 V N -1.049 118.872 119.914 0.013 0.000 2.535 20 V HA -0.006 4.114 4.120 0.000 0.000 0.246 20 V C 2.200 178.298 176.094 0.006 0.000 1.045 20 V CA 1.675 63.979 62.300 0.008 0.000 1.058 20 V CB -0.643 31.184 31.823 0.006 0.000 0.689 20 V HN 0.137 nan 8.190 nan 0.000 0.461 21 N N 1.061 119.765 118.700 0.006 0.000 2.247 21 N HA -0.141 4.599 4.740 0.000 0.000 0.189 21 N C 1.642 177.154 175.510 0.003 0.000 1.009 21 N CA 1.731 54.784 53.050 0.004 0.000 0.872 21 N CB -0.480 38.010 38.487 0.005 0.000 0.980 21 N HN 0.532 nan 8.380 nan 0.000 0.436 22 V N 0.764 120.680 119.914 0.004 0.000 2.249 22 V HA -0.142 3.978 4.120 0.000 0.000 0.239 22 V C 2.338 178.432 176.094 0.000 0.000 1.038 22 V CA 0.904 63.205 62.300 0.002 0.000 1.005 22 V CB -0.688 31.137 31.823 0.003 0.000 0.646 22 V HN 0.178 nan 8.190 nan 0.000 0.455 23 L N 0.725 121.948 121.223 0.001 0.000 2.103 23 L HA -0.234 4.106 4.340 0.000 0.000 0.215 23 L C 2.209 179.078 176.870 -0.002 0.000 1.080 23 L CA 2.554 57.393 54.840 -0.001 0.000 0.764 23 L CB -0.988 41.070 42.059 -0.001 0.000 0.890 23 L HN 0.295 nan 8.230 nan 0.000 0.435 24 A N -0.866 121.954 122.820 -0.000 0.000 1.824 24 A HA -0.165 4.155 4.320 0.000 0.000 0.215 24 A C 1.939 179.522 177.584 -0.002 0.000 1.244 24 A CA 1.346 53.383 52.037 -0.001 0.000 0.604 24 A CB -1.155 17.845 19.000 0.000 0.000 0.900 24 A HN 0.481 nan 8.150 nan 0.000 0.455 25 D N 0.258 120.657 120.400 -0.002 0.000 2.311 25 D HA -0.164 4.476 4.640 0.000 0.000 0.204 25 D C 1.551 177.849 176.300 -0.004 0.000 1.000 25 D CA 1.583 55.581 54.000 -0.003 0.000 0.910 25 D CB -0.270 40.529 40.800 -0.002 0.000 0.900 25 D HN 0.439 nan 8.370 nan 0.000 0.463 26 A N -0.464 122.354 122.820 -0.004 0.000 2.379 26 A HA 0.284 4.604 4.320 0.000 0.000 0.236 26 A C 1.680 179.261 177.584 -0.005 0.000 1.272 26 A CA -0.049 51.985 52.037 -0.005 0.000 0.886 26 A CB 0.592 19.589 19.000 -0.005 0.000 0.962 26 A HN 0.131 nan 8.150 nan 0.000 0.504 27 V N -0.767 119.144 119.914 -0.005 0.000 3.245 27 V HA -0.025 4.095 4.120 0.000 0.000 0.246 27 V C 1.613 177.704 176.094 -0.005 0.000 1.487 27 V CA 0.867 63.163 62.300 -0.005 0.000 1.154 27 V CB 0.024 31.844 31.823 -0.005 0.000 0.971 27 V HN 0.664 nan 8.190 nan 0.000 0.443 28 K N 2.307 122.704 120.400 -0.005 0.000 2.665 28 K HA 0.006 4.326 4.320 0.000 0.000 0.196 28 K C 1.135 177.731 176.600 -0.007 0.000 1.021 28 K CA 1.408 57.692 56.287 -0.006 0.000 1.066 28 K CB -0.163 32.333 32.500 -0.006 0.000 0.849 28 K HN 0.523 nan 8.250 nan 0.000 0.500 29 V N -3.046 116.865 119.914 -0.006 0.000 3.151 29 V HA -0.022 4.098 4.120 0.000 0.000 0.241 29 V C 2.035 178.126 176.094 -0.006 0.000 1.173 29 V CA 0.678 62.974 62.300 -0.007 0.000 1.154 29 V CB -0.152 31.668 31.823 -0.006 0.000 0.898 29 V HN 0.435 nan 8.190 nan 0.000 0.473 30 T N -0.522 114.028 114.554 -0.005 0.000 3.400 30 T HA 0.158 4.508 4.350 0.000 0.000 0.254 30 T C 0.412 175.109 174.700 -0.004 0.000 1.153 30 T CA 0.081 62.178 62.100 -0.005 0.000 1.012 30 T CB -0.896 67.969 68.868 -0.005 0.000 0.994 30 T HN 0.267 nan 8.240 nan 0.000 0.555 31 L N 2.282 123.502 121.223 -0.005 0.000 2.361 31 L HA 0.585 4.925 4.340 0.000 0.000 0.278 31 L C 0.977 177.846 176.870 -0.003 0.000 1.113 31 L CA 1.473 56.310 54.840 -0.005 0.000 0.849 31 L CB -0.350 41.705 42.059 -0.007 0.000 1.155 31 L HN 0.652 nan 8.230 nan 0.000 0.452 32 G N 5.054 113.853 108.800 -0.001 0.000 2.527 32 G HA2 -0.211 3.749 3.960 0.000 0.000 0.227 32 G HA3 -0.211 3.749 3.960 0.000 0.000 0.227 32 G C -2.007 172.895 174.900 0.003 0.000 1.291 32 G CA -0.073 45.028 45.100 0.003 0.000 0.904 32 G HN 0.590 nan 8.290 nan 0.000 0.577 33 P HA 0.221 nan 4.420 nan 0.000 0.226 33 P C 0.896 178.199 177.300 0.004 0.000 1.160 33 P CA 0.814 63.917 63.100 0.004 0.000 0.837 33 P CB 0.234 31.937 31.700 0.005 0.000 0.860 34 K N 1.111 121.515 120.400 0.007 0.000 2.596 34 K HA 0.281 4.601 4.320 0.000 0.000 0.211 34 K C 0.977 177.578 176.600 0.001 0.000 1.046 34 K CA -0.151 56.139 56.287 0.006 0.000 1.202 34 K CB -0.394 32.113 32.500 0.011 0.000 0.925 34 K HN 0.112 nan 8.250 nan 0.000 0.486 35 G N 1.369 110.169 108.800 0.000 0.000 2.483 35 G HA2 0.155 4.115 3.960 0.000 0.000 0.248 35 G HA3 0.155 4.115 3.960 0.000 0.000 0.248 35 G C 0.198 175.097 174.900 -0.002 0.000 1.248 35 G CA -0.459 44.640 45.100 -0.002 0.000 0.838 35 G HN 0.073 nan 8.290 nan 0.000 0.566 36 R N 0.878 121.377 120.500 -0.003 0.000 2.541 36 R HA 0.282 4.622 4.340 0.000 0.000 0.254 36 R C -0.272 176.027 176.300 -0.003 0.000 1.130 36 R CA -0.902 55.197 56.100 -0.003 0.000 1.152 36 R CB 0.089 30.387 30.300 -0.003 0.000 1.222 36 R HN 0.576 nan 8.270 nan 0.000 0.579 37 N N -1.038 117.660 118.700 -0.003 0.000 2.443 37 N HA 0.376 5.116 4.740 0.000 0.000 0.295 37 N C -1.113 174.395 175.510 -0.003 0.000 1.076 37 N CA -0.508 52.540 53.050 -0.003 0.000 0.919 37 N CB 1.716 40.202 38.487 -0.002 0.000 1.176 37 N HN 0.093 nan 8.380 nan 0.000 0.487 38 V N 1.945 121.857 119.914 -0.004 0.000 2.487 38 V HA 0.372 4.492 4.120 0.000 0.000 0.298 38 V C -0.509 175.582 176.094 -0.004 0.000 1.028 38 V CA -0.827 61.470 62.300 -0.005 0.000 0.860 38 V CB 1.736 33.556 31.823 -0.005 0.000 0.991 38 V HN 0.375 nan 8.190 nan 0.000 0.427 39 V N 6.278 126.189 119.914 -0.005 0.000 2.383 39 V HA 0.431 4.551 4.120 0.000 0.000 0.275 39 V C -0.061 176.029 176.094 -0.007 0.000 1.036 39 V CA -0.472 61.825 62.300 -0.005 0.000 0.889 39 V CB 1.241 33.062 31.823 -0.004 0.000 0.985 39 V HN 0.624 nan 8.190 nan 0.000 0.459 40 L N 3.616 124.835 121.223 -0.007 0.000 2.321 40 L HA 0.397 4.737 4.340 0.000 0.000 0.272 40 L C 0.161 177.024 176.870 -0.012 0.000 1.050 40 L CA -0.484 54.350 54.840 -0.010 0.000 0.893 40 L CB 0.856 42.909 42.059 -0.010 0.000 1.272 40 L HN 0.636 nan 8.230 nan 0.000 0.435 41 D N 3.179 123.570 120.400 -0.015 0.000 2.571 41 D HA -0.033 4.607 4.640 0.000 0.000 0.231 41 D C -0.027 176.256 176.300 -0.028 0.000 1.133 41 D CA 1.097 55.085 54.000 -0.019 0.000 0.862 41 D CB 0.884 41.670 40.800 -0.023 0.000 1.179 41 D HN 0.334 nan 8.370 nan 0.000 0.474 42 K N 0.998 121.381 120.400 -0.027 0.000 2.238 42 K HA 0.359 4.679 4.320 0.000 0.000 0.239 42 K C 1.022 177.580 176.600 -0.069 0.000 0.987 42 K CA -0.601 55.663 56.287 -0.038 0.000 0.857 42 K CB 1.257 33.751 32.500 -0.010 0.000 1.154 42 K HN 0.548 nan 8.250 nan 0.000 0.439 43 S N 0.876 116.494 115.700 -0.136 0.000 2.309 43 S HA 0.048 4.518 4.470 0.000 0.000 0.206 43 S C 0.466 174.953 174.600 -0.187 0.000 1.028 43 S CA 0.481 58.513 58.200 -0.281 0.000 0.972 43 S CB -0.333 62.531 63.200 -0.560 0.000 0.961 43 S HN 0.365 nan 8.310 nan 0.000 0.449 44 F N 3.111 123.060 119.950 -0.002 0.000 2.404 44 F HA 0.708 5.235 4.527 0.000 0.000 0.358 44 F C 1.236 177.036 175.800 -0.001 0.000 1.120 44 F CA 0.026 58.025 58.000 -0.002 0.000 1.144 44 F CB 0.606 39.605 39.000 -0.002 0.000 1.133 44 F HN 0.813 nan 8.300 nan 0.000 0.495 45 G N 1.342 110.255 108.800 0.187 0.000 2.342 45 G HA2 0.376 4.336 3.960 0.000 0.000 0.220 45 G HA3 0.376 4.336 3.960 0.000 0.000 0.220 45 G C -1.454 173.483 174.900 0.063 0.000 1.243 45 G CA -0.573 44.588 45.100 0.102 0.000 1.083 45 G HN 0.910 nan 8.290 nan 0.000 0.500 46 A N 0.478 123.324 122.820 0.043 0.000 2.303 46 A HA 0.878 5.198 4.320 0.000 0.000 0.317 46 A C -1.684 175.911 177.584 0.019 0.000 1.149 46 A CA -0.770 51.283 52.037 0.027 0.000 0.822 46 A CB 0.222 19.235 19.000 0.022 0.000 1.131 46 A HN 0.671 nan 8.150 nan 0.000 0.493 47 P HA 0.168 nan 4.420 nan 0.000 0.270 47 P C -0.295 177.008 177.300 0.005 0.000 1.221 47 P CA 0.342 63.445 63.100 0.005 0.000 0.788 47 P CB 0.349 32.050 31.700 0.002 0.000 0.904 48 T N 1.799 116.354 114.554 0.002 0.000 2.797 48 T HA 0.549 4.899 4.350 0.000 0.000 0.279 48 T C 0.077 174.777 174.700 0.000 0.000 0.991 48 T CA -0.333 61.769 62.100 0.002 0.000 0.979 48 T CB 0.222 69.091 68.868 0.001 0.000 0.943 48 T HN 0.156 nan 8.240 nan 0.000 0.444 49 I N 2.633 123.204 120.570 0.001 0.000 2.362 49 I HA 0.589 4.759 4.170 0.000 0.000 0.289 49 I C 0.395 176.512 176.117 -0.000 0.000 0.994 49 I CA -0.498 60.802 61.300 0.000 0.000 1.158 49 I CB 1.802 39.803 38.000 0.001 0.000 1.315 49 I HN 0.519 nan 8.210 nan 0.000 0.451 50 T N 4.152 118.705 114.554 -0.002 0.000 2.762 50 T HA 0.414 4.764 4.350 0.000 0.000 0.301 50 T C -0.337 174.361 174.700 -0.003 0.000 1.299 50 T CA -0.562 61.537 62.100 -0.002 0.000 1.005 50 T CB 1.811 70.677 68.868 -0.003 0.000 1.377 50 T HN 0.680 nan 8.240 nan 0.000 0.504 51 K N 0.791 121.189 120.400 -0.004 0.000 2.564 51 K HA 0.207 4.527 4.320 0.000 0.000 0.201 51 K C -0.863 175.733 176.600 -0.005 0.000 1.086 51 K CA -0.247 56.038 56.287 -0.004 0.000 1.062 51 K CB 0.620 33.118 32.500 -0.003 0.000 0.849 51 K HN 0.372 nan 8.250 nan 0.000 0.529 52 D N 0.890 121.287 120.400 -0.006 0.000 2.483 52 D HA 0.086 4.726 4.640 0.000 0.000 0.220 52 D C 1.330 177.624 176.300 -0.009 0.000 1.173 52 D CA -0.085 53.910 54.000 -0.008 0.000 0.964 52 D CB 0.624 41.419 40.800 -0.009 0.000 1.046 52 D HN 0.280 nan 8.370 nan 0.000 0.517 53 G N 2.010 110.805 108.800 -0.009 0.000 2.657 53 G HA2 -0.289 3.671 3.960 0.000 0.000 0.224 53 G HA3 -0.289 3.671 3.960 0.000 0.000 0.224 53 G C 1.442 176.336 174.900 -0.011 0.000 1.086 53 G CA 0.975 46.070 45.100 -0.009 0.000 0.730 53 G HN 0.471 nan 8.290 nan 0.000 0.602 54 V N 0.473 120.379 119.914 -0.013 0.000 2.283 54 V HA -0.125 3.995 4.120 0.000 0.000 0.243 54 V C 2.983 179.068 176.094 -0.014 0.000 1.039 54 V CA 2.123 64.414 62.300 -0.016 0.000 1.016 54 V CB -0.583 31.228 31.823 -0.020 0.000 0.650 54 V HN 0.368 nan 8.190 nan 0.000 0.449 55 S N -0.107 115.585 115.700 -0.012 0.000 2.399 55 S HA -0.145 4.325 4.470 0.000 0.000 0.231 55 S C 1.954 176.548 174.600 -0.010 0.000 1.022 55 S CA 1.286 59.480 58.200 -0.011 0.000 0.983 55 S CB -0.134 63.061 63.200 -0.008 0.000 0.803 55 S HN 0.356 nan 8.310 nan 0.000 0.480 56 V N 1.512 121.420 119.914 -0.010 0.000 2.548 56 V HA -0.120 4.000 4.120 0.000 0.000 0.249 56 V C 2.444 178.532 176.094 -0.010 0.000 1.055 56 V CA 1.434 63.728 62.300 -0.010 0.000 1.065 56 V CB -0.994 30.824 31.823 -0.008 0.000 0.681 56 V HN 0.519 nan 8.190 nan 0.000 0.462 57 A N -0.164 122.649 122.820 -0.011 0.000 1.832 57 A HA -0.195 4.125 4.320 0.000 0.000 0.214 57 A C 2.332 179.908 177.584 -0.013 0.000 1.200 57 A CA 1.614 53.644 52.037 -0.012 0.000 0.610 57 A CB -0.648 18.344 19.000 -0.014 0.000 0.842 57 A HN 0.381 nan 8.150 nan 0.000 0.444 58 R N -0.250 120.241 120.500 -0.014 0.000 2.196 58 R HA -0.187 4.153 4.340 0.000 0.000 0.259 58 R C 0.986 177.277 176.300 -0.015 0.000 1.154 58 R CA 1.704 57.794 56.100 -0.015 0.000 0.976 58 R CB -0.327 29.964 30.300 -0.015 0.000 0.888 58 R HN 0.512 nan 8.270 nan 0.000 0.453 59 E N 0.094 120.286 120.200 -0.014 0.000 2.416 59 E HA 0.053 4.403 4.350 0.000 0.000 0.189 59 E C 0.128 176.719 176.600 -0.014 0.000 1.091 59 E CA 0.207 56.598 56.400 -0.015 0.000 0.889 59 E CB 0.148 29.838 29.700 -0.016 0.000 1.015 59 E HN 0.221 nan 8.360 nan 0.000 0.479 60 I N 1.044 121.606 120.570 -0.013 0.000 2.437 60 I HA 0.308 4.478 4.170 0.000 0.000 0.298 60 I C 0.143 176.254 176.117 -0.010 0.000 0.984 60 I CA -0.367 60.926 61.300 -0.011 0.000 1.214 60 I CB 1.471 39.466 38.000 -0.008 0.000 1.365 60 I HN -0.021 nan 8.210 nan 0.000 0.469 61 E N 6.496 126.691 120.200 -0.009 0.000 3.397 61 E HA 0.258 4.608 4.350 0.000 0.000 0.380 61 E C -1.881 174.714 176.600 -0.009 0.000 0.989 61 E CA -0.411 55.984 56.400 -0.008 0.000 0.783 61 E CB 1.079 30.772 29.700 -0.012 0.000 1.334 61 E HN 0.439 nan 8.360 nan 0.000 0.457 62 L N 2.702 123.922 121.223 -0.004 0.000 2.488 62 L HA 0.402 4.742 4.340 0.000 0.000 0.249 62 L C 1.669 178.531 176.870 -0.013 0.000 1.151 62 L CA -0.419 54.417 54.840 -0.006 0.000 0.806 62 L CB 0.590 42.650 42.059 0.002 0.000 1.261 62 L HN 0.736 nan 8.230 nan 0.000 0.484 63 E N 0.280 120.469 120.200 -0.018 0.000 2.022 63 E HA -0.155 4.195 4.350 0.000 0.000 0.190 63 E C 0.448 177.023 176.600 -0.042 0.000 0.973 63 E CA 0.113 56.495 56.400 -0.029 0.000 0.816 63 E CB 0.133 29.815 29.700 -0.029 0.000 0.781 63 E HN 0.687 nan 8.360 nan 0.000 0.456 64 D N 1.344 121.721 120.400 -0.039 0.000 2.433 64 D HA -0.108 4.532 4.640 0.000 0.000 0.274 64 D C 0.647 176.906 176.300 -0.067 0.000 1.344 64 D CA 0.169 54.131 54.000 -0.062 0.000 0.989 64 D CB 0.550 41.336 40.800 -0.024 0.000 1.116 64 D HN 0.119 nan 8.370 nan 0.000 0.533 65 K N 3.367 123.680 120.400 -0.145 0.000 2.184 65 K HA -0.231 4.089 4.320 0.000 0.000 0.210 65 K C 1.669 178.280 176.600 0.018 0.000 1.048 65 K CA 1.355 57.563 56.287 -0.132 0.000 0.931 65 K CB -0.351 31.988 32.500 -0.268 0.000 0.718 65 K HN 0.463 nan 8.250 nan 0.000 0.465 66 F N 1.324 121.262 119.950 -0.020 0.000 2.104 66 F HA -0.011 4.516 4.527 0.000 0.000 0.288 66 F C 2.475 178.266 175.800 -0.014 0.000 1.107 66 F CA 0.554 58.543 58.000 -0.019 0.000 1.208 66 F CB -1.158 37.828 39.000 -0.023 0.000 1.033 66 F HN 0.078 nan 8.300 nan 0.000 0.478 67 E N 0.306 120.624 120.200 0.196 0.000 2.108 67 E HA -0.359 3.991 4.350 0.000 0.000 0.203 67 E C 1.882 178.526 176.600 0.073 0.000 1.022 67 E CA 1.909 58.368 56.400 0.099 0.000 0.823 67 E CB -0.684 29.053 29.700 0.062 0.000 0.744 67 E HN 0.408 nan 8.360 nan 0.000 0.456 68 N N 0.508 119.247 118.700 0.064 0.000 2.104 68 N HA -0.188 4.552 4.740 0.000 0.000 0.190 68 N C 1.904 177.444 175.510 0.050 0.000 1.024 68 N CA 1.520 54.594 53.050 0.041 0.000 0.853 68 N CB -0.058 38.444 38.487 0.025 0.000 1.008 68 N HN 0.091 nan 8.380 nan 0.000 0.424 69 M N -0.422 119.229 119.600 0.084 0.000 2.082 69 M HA -0.137 4.343 4.480 0.000 0.000 0.258 69 M C 2.176 178.503 176.300 0.044 0.000 1.069 69 M CA 1.895 57.241 55.300 0.076 0.000 1.102 69 M CB -0.812 31.864 32.600 0.125 0.000 1.336 69 M HN 0.419 nan 8.290 nan 0.000 0.404 70 G N -0.229 108.596 108.800 0.041 0.000 2.524 70 G HA2 -0.156 3.804 3.960 0.000 0.000 0.215 70 G HA3 -0.156 3.804 3.960 0.000 0.000 0.215 70 G C 1.520 176.429 174.900 0.016 0.000 1.239 70 G CA 1.005 46.117 45.100 0.020 0.000 0.798 70 G HN 0.561 nan 8.290 nan 0.000 0.557 71 A N -0.627 122.204 122.820 0.018 0.000 2.148 71 A HA -0.126 4.194 4.320 0.000 0.000 0.222 71 A C 2.262 179.849 177.584 0.006 0.000 1.161 71 A CA 2.018 54.061 52.037 0.010 0.000 0.662 71 A CB -0.258 18.749 19.000 0.011 0.000 0.799 71 A HN 0.393 nan 8.150 nan 0.000 0.466 72 Q N -1.497 118.308 119.800 0.009 0.000 2.408 72 Q HA 0.158 4.498 4.340 0.000 0.000 0.205 72 Q C 1.880 177.878 176.000 -0.003 0.000 0.919 72 Q CA 0.575 56.380 55.803 0.003 0.000 0.932 72 Q CB 0.040 28.783 28.738 0.009 0.000 1.058 72 Q HN 0.831 nan 8.270 nan 0.000 0.517 73 M N -0.756 118.844 119.600 -0.001 0.000 2.142 73 M HA -0.082 4.398 4.480 0.000 0.000 0.256 73 M C 2.224 178.515 176.300 -0.014 0.000 1.098 73 M CA 0.936 56.232 55.300 -0.007 0.000 1.151 73 M CB -0.721 31.878 32.600 -0.001 0.000 1.299 73 M HN 0.039 nan 8.290 nan 0.000 0.431 74 V N 1.084 120.993 119.914 -0.008 0.000 2.370 74 V HA -0.330 3.790 4.120 0.000 0.000 0.252 74 V C 2.190 178.273 176.094 -0.018 0.000 1.068 74 V CA 2.494 64.789 62.300 -0.008 0.000 1.061 74 V CB -0.695 31.128 31.823 0.000 0.000 0.656 74 V HN 0.549 nan 8.190 nan 0.000 0.455 75 K N -0.689 119.701 120.400 -0.017 0.000 2.097 75 K HA -0.212 4.108 4.320 0.000 0.000 0.206 75 K C 2.320 178.897 176.600 -0.038 0.000 1.049 75 K CA 1.793 58.067 56.287 -0.023 0.000 0.933 75 K CB -0.282 32.208 32.500 -0.016 0.000 0.717 75 K HN 0.574 nan 8.250 nan 0.000 0.442 76 E N 0.424 120.599 120.200 -0.041 0.000 2.208 76 E HA -0.114 4.236 4.350 0.000 0.000 0.193 76 E C 1.852 178.392 176.600 -0.100 0.000 0.988 76 E CA 0.564 56.929 56.400 -0.058 0.000 0.828 76 E CB 0.170 29.844 29.700 -0.044 0.000 0.763 76 E HN 0.184 nan 8.360 nan 0.000 0.478 77 V N 0.485 120.336 119.914 -0.106 0.000 2.379 77 V HA -0.094 4.026 4.120 0.000 0.000 0.243 77 V C 2.288 178.236 176.094 -0.243 0.000 1.035 77 V CA 1.606 63.792 62.300 -0.191 0.000 1.035 77 V CB -0.273 31.481 31.823 -0.115 0.000 0.673 77 V HN 0.284 nan 8.190 nan 0.000 0.457 78 A N 0.566 123.318 122.820 -0.113 0.000 1.917 78 A HA -0.272 4.048 4.320 0.000 0.000 0.219 78 A C 2.528 180.056 177.584 -0.094 0.000 1.182 78 A CA 2.760 54.758 52.037 -0.065 0.000 0.633 78 A CB -1.186 17.800 19.000 -0.023 0.000 0.819 78 A HN 0.907 nan 8.150 nan 0.000 0.448 79 S N -0.177 115.463 115.700 -0.101 0.000 2.440 79 S HA -0.239 4.231 4.470 0.000 0.000 0.240 79 S C 1.704 176.231 174.600 -0.121 0.000 1.014 79 S CA 1.749 59.897 58.200 -0.088 0.000 0.980 79 S CB -0.427 62.728 63.200 -0.075 0.000 0.775 79 S HN 0.659 nan 8.310 nan 0.000 0.499 80 K N 1.139 121.391 120.400 -0.247 0.000 2.155 80 K HA 0.208 4.528 4.320 0.000 0.000 0.203 80 K C 2.591 179.125 176.600 -0.110 0.000 1.052 80 K CA 0.876 56.965 56.287 -0.330 0.000 0.948 80 K CB -0.475 31.515 32.500 -0.850 0.000 0.728 80 K HN 0.484 nan 8.250 nan 0.000 0.448 81 A N 1.858 124.675 122.820 -0.005 0.000 1.883 81 A HA -0.263 4.057 4.320 0.000 0.000 0.217 81 A C 1.922 179.568 177.584 0.104 0.000 1.186 81 A CA 2.076 54.245 52.037 0.220 0.000 0.624 81 A CB -0.786 18.334 19.000 0.201 0.000 0.822 81 A HN 0.305 nan 8.150 nan 0.000 0.444 82 N N -0.019 118.700 118.700 0.032 0.000 2.149 82 N HA -0.155 4.585 4.740 0.000 0.000 0.188 82 N C 1.218 176.730 175.510 0.003 0.000 1.019 82 N CA 1.650 54.700 53.050 -0.001 0.000 0.857 82 N CB -0.196 38.274 38.487 -0.029 0.000 0.997 82 N HN 0.427 nan 8.380 nan 0.000 0.426 83 D N -0.487 119.919 120.400 0.010 0.000 2.178 83 D HA -0.108 4.532 4.640 0.000 0.000 0.201 83 D C 1.562 177.898 176.300 0.060 0.000 0.980 83 D CA 1.161 55.173 54.000 0.021 0.000 0.842 83 D CB -0.162 40.637 40.800 -0.001 0.000 0.948 83 D HN 0.428 nan 8.370 nan 0.000 0.472 84 A N 0.938 123.814 122.820 0.092 0.000 1.864 84 A HA 0.313 4.633 4.320 0.000 0.000 0.213 84 A C 2.135 179.776 177.584 0.095 0.000 1.266 84 A CA 1.356 53.455 52.037 0.103 0.000 0.612 84 A CB -0.786 18.300 19.000 0.144 0.000 0.940 84 A HN 0.198 nan 8.150 nan 0.000 0.463 85 A N -1.680 121.194 122.820 0.089 0.000 1.861 85 A HA 0.393 4.713 4.320 0.000 0.000 0.214 85 A C 1.832 179.473 177.584 0.095 0.000 1.322 85 A CA 2.221 54.306 52.037 0.080 0.000 0.601 85 A CB -0.902 18.134 19.000 0.060 0.000 0.966 85 A HN 1.653 nan 8.150 nan 0.000 0.471 86 G N -2.321 106.498 108.800 0.033 0.000 4.511 86 G HA2 0.335 4.295 3.960 0.000 0.000 0.220 86 G HA3 0.335 4.295 3.960 0.000 0.000 0.220 86 G C -0.382 174.475 174.900 -0.072 0.000 0.733 86 G CA 0.768 45.832 45.100 -0.060 0.000 0.897 86 G HN 0.786 nan 8.290 nan 0.000 0.691 87 D N -2.855 117.534 120.400 -0.019 0.000 2.992 87 D HA 0.512 5.152 4.640 0.000 0.000 0.349 87 D C 1.183 177.490 176.300 0.012 0.000 1.393 87 D CA 1.106 55.098 54.000 -0.013 0.000 0.887 87 D CB 0.236 41.031 40.800 -0.008 0.000 1.447 87 D HN 1.182 nan 8.370 nan 0.000 0.524 88 G N -1.048 107.759 108.800 0.013 0.000 2.308 88 G HA2 -0.330 3.630 3.960 0.000 0.000 0.221 88 G HA3 -0.330 3.630 3.960 0.000 0.000 0.221 88 G C 1.390 176.306 174.900 0.027 0.000 1.032 88 G CA 1.140 46.256 45.100 0.026 0.000 0.623 88 G HN 1.269 nan 8.290 nan 0.000 0.506 89 T N -0.670 113.895 114.554 0.019 0.000 2.649 89 T HA -0.239 4.111 4.350 0.000 0.000 0.268 89 T C 2.219 176.923 174.700 0.007 0.000 1.036 89 T CA 3.189 65.295 62.100 0.010 0.000 1.157 89 T CB -1.226 67.637 68.868 -0.007 0.000 0.861 89 T HN 0.677 nan 8.240 nan 0.000 0.445 90 T N 1.438 115.994 114.554 0.003 0.000 2.867 90 T HA -0.061 4.289 4.350 0.000 0.000 0.268 90 T C 2.229 176.933 174.700 0.006 0.000 1.057 90 T CA 1.759 63.860 62.100 0.002 0.000 1.136 90 T CB -0.802 68.065 68.868 -0.001 0.000 0.874 90 T HN 0.652 nan 8.240 nan 0.000 0.466 91 T N 2.087 116.648 114.554 0.011 0.000 2.732 91 T HA 0.097 4.447 4.350 0.000 0.000 0.261 91 T C 2.508 177.221 174.700 0.021 0.000 1.040 91 T CA 0.916 63.025 62.100 0.014 0.000 1.145 91 T CB -0.703 68.175 68.868 0.017 0.000 0.866 91 T HN 0.402 nan 8.240 nan 0.000 0.427 92 A N 2.025 124.865 122.820 0.033 0.000 1.869 92 A HA -0.236 4.084 4.320 0.000 0.000 0.218 92 A C 2.564 180.167 177.584 0.031 0.000 1.203 92 A CA 2.594 54.660 52.037 0.047 0.000 0.638 92 A CB -1.683 17.358 19.000 0.068 0.000 0.831 92 A HN 0.484 nan 8.150 nan 0.000 0.450 93 T N -0.787 113.778 114.554 0.019 0.000 2.653 93 T HA -0.197 4.153 4.350 0.000 0.000 0.268 93 T C 1.826 176.531 174.700 0.010 0.000 1.035 93 T CA 1.848 63.955 62.100 0.011 0.000 1.154 93 T CB -0.719 68.151 68.868 0.004 0.000 0.862 93 T HN 0.409 nan 8.240 nan 0.000 0.441 94 V N 0.518 120.437 119.914 0.008 0.000 2.809 94 V HA 0.029 4.149 4.120 0.000 0.000 0.256 94 V C 2.037 178.135 176.094 0.007 0.000 1.080 94 V CA 1.217 63.520 62.300 0.005 0.000 1.102 94 V CB -0.492 31.332 31.823 0.002 0.000 0.705 94 V HN 0.475 nan 8.190 nan 0.000 0.475 95 L N 0.014 121.244 121.223 0.012 0.000 2.049 95 L HA 0.045 4.385 4.340 0.000 0.000 0.203 95 L C 2.873 179.752 176.870 0.015 0.000 1.074 95 L CA 1.494 56.342 54.840 0.014 0.000 0.749 95 L CB -0.914 41.157 42.059 0.020 0.000 0.907 95 L HN 0.390 nan 8.230 nan 0.000 0.439 96 A N -0.469 122.363 122.820 0.020 0.000 1.869 96 A HA -0.354 3.966 4.320 0.000 0.000 0.218 96 A C 2.222 179.813 177.584 0.012 0.000 1.203 96 A CA 2.262 54.310 52.037 0.019 0.000 0.638 96 A CB -0.922 18.090 19.000 0.021 0.000 0.831 96 A HN 0.514 nan 8.150 nan 0.000 0.450 97 Q N -0.713 119.092 119.800 0.009 0.000 2.082 97 Q HA -0.292 4.048 4.340 0.000 0.000 0.211 97 Q C 2.304 178.307 176.000 0.005 0.000 1.002 97 Q CA 2.420 58.227 55.803 0.006 0.000 0.868 97 Q CB -0.432 28.308 28.738 0.004 0.000 0.931 97 Q HN 0.645 nan 8.270 nan 0.000 0.414 98 A N 0.608 123.431 122.820 0.005 0.000 1.917 98 A HA -0.212 4.108 4.320 0.000 0.000 0.219 98 A C 2.001 179.587 177.584 0.004 0.000 1.182 98 A CA 1.804 53.843 52.037 0.003 0.000 0.633 98 A CB -0.748 18.253 19.000 0.002 0.000 0.819 98 A HN 0.494 nan 8.150 nan 0.000 0.448 99 I N -0.374 120.200 120.570 0.006 0.000 2.133 99 I HA -0.229 3.941 4.170 0.000 0.000 0.238 99 I C 2.326 178.446 176.117 0.005 0.000 1.074 99 I CA 1.398 62.702 61.300 0.006 0.000 1.342 99 I CB -0.551 37.454 38.000 0.009 0.000 1.053 99 I HN 0.265 nan 8.210 nan 0.000 0.404 100 I N 0.906 121.479 120.570 0.006 0.000 2.194 100 I HA -0.310 3.860 4.170 0.000 0.000 0.246 100 I C 2.588 178.707 176.117 0.003 0.000 1.093 100 I CA 1.844 63.147 61.300 0.005 0.000 1.355 100 I CB -0.963 37.040 38.000 0.005 0.000 1.046 100 I HN 0.318 nan 8.210 nan 0.000 0.413 101 T N -0.104 114.452 114.554 0.003 0.000 2.788 101 T HA -0.147 4.203 4.350 0.000 0.000 0.268 101 T C 1.781 176.482 174.700 0.002 0.000 1.044 101 T CA 1.208 63.309 62.100 0.002 0.000 1.139 101 T CB -0.134 68.734 68.868 0.002 0.000 0.867 101 T HN 0.307 nan 8.240 nan 0.000 0.454 102 E N 0.316 120.517 120.200 0.002 0.000 2.276 102 E HA 0.144 4.494 4.350 0.000 0.000 0.193 102 E C 2.410 179.010 176.600 0.001 0.000 0.983 102 E CA 0.419 56.820 56.400 0.001 0.000 0.861 102 E CB -0.425 29.276 29.700 0.001 0.000 0.817 102 E HN 0.529 nan 8.360 nan 0.000 0.485 103 G N 1.737 110.538 108.800 0.002 0.000 2.464 103 G HA2 -0.210 3.750 3.960 0.000 0.000 0.214 103 G HA3 -0.210 3.750 3.960 0.000 0.000 0.214 103 G C 1.632 176.533 174.900 0.001 0.000 1.218 103 G CA 0.459 45.560 45.100 0.001 0.000 0.794 103 G HN 0.183 nan 8.290 nan 0.000 0.542 104 L N 0.314 121.537 121.223 0.000 0.000 2.261 104 L HA -0.072 4.268 4.340 0.000 0.000 0.216 104 L C 2.734 179.604 176.870 0.000 0.000 1.114 104 L CA 1.270 56.109 54.840 -0.000 0.000 0.777 104 L CB -0.358 41.700 42.059 -0.001 0.000 0.910 104 L HN 0.245 nan 8.230 nan 0.000 0.440 105 K N 0.212 120.613 120.400 0.001 0.000 2.288 105 K HA -0.084 4.236 4.320 0.000 0.000 0.201 105 K C 2.057 178.658 176.600 0.001 0.000 1.048 105 K CA 0.933 57.221 56.287 0.001 0.000 0.956 105 K CB 0.113 32.613 32.500 0.001 0.000 0.746 105 K HN 0.303 nan 8.250 nan 0.000 0.461 106 A N 0.100 122.920 122.820 0.000 0.000 1.862 106 A HA -0.007 4.313 4.320 0.000 0.000 0.211 106 A C 2.084 179.668 177.584 -0.000 0.000 1.220 106 A CA 0.674 52.711 52.037 0.000 0.000 0.616 106 A CB -0.584 18.416 19.000 -0.000 0.000 0.878 106 A HN 0.062 nan 8.150 nan 0.000 0.453 107 V N 0.533 120.446 119.914 -0.001 0.000 2.233 107 V HA -0.359 3.761 4.120 0.000 0.000 0.252 107 V C 2.955 179.049 176.094 -0.001 0.000 1.063 107 V CA 2.357 64.656 62.300 -0.001 0.000 1.032 107 V CB -1.287 30.535 31.823 -0.002 0.000 0.645 107 V HN 0.602 nan 8.190 nan 0.000 0.446 108 A N -0.697 122.123 122.820 0.000 0.000 2.225 108 A HA 0.117 4.437 4.320 0.000 0.000 0.215 108 A C 2.107 179.692 177.584 0.001 0.000 1.164 108 A CA 1.547 53.585 52.037 0.001 0.000 0.710 108 A CB -0.520 18.482 19.000 0.002 0.000 0.780 108 A HN 0.655 nan 8.150 nan 0.000 0.473 109 A N -2.144 120.676 122.820 0.001 0.000 2.238 109 A HA 0.453 4.773 4.320 0.000 0.000 0.210 109 A C 1.588 179.172 177.584 -0.000 0.000 1.179 109 A CA 1.151 53.188 52.037 0.001 0.000 0.827 109 A CB -0.306 18.694 19.000 0.000 0.000 0.856 109 A HN 1.668 nan 8.150 nan 0.000 0.488 110 G N -1.877 106.922 108.800 -0.001 0.000 2.183 110 G HA2 -0.134 3.826 3.960 0.000 0.000 0.168 110 G HA3 -0.134 3.826 3.960 0.000 0.000 0.168 110 G C 0.057 174.956 174.900 -0.002 0.000 1.008 110 G CA 0.020 45.119 45.100 -0.002 0.000 0.677 110 G HN 0.280 nan 8.290 nan 0.000 0.498 111 M N 0.790 120.388 119.600 -0.002 0.000 2.444 111 M HA 0.378 4.858 4.480 0.000 0.000 0.319 111 M C 0.505 176.803 176.300 -0.004 0.000 1.183 111 M CA -0.810 54.489 55.300 -0.003 0.000 1.032 111 M CB 0.859 33.458 32.600 -0.002 0.000 1.569 111 M HN 0.142 nan 8.290 nan 0.000 0.468 112 N N 1.752 120.450 118.700 -0.004 0.000 2.497 112 N HA 0.123 4.863 4.740 0.000 0.000 0.268 112 N C -2.273 173.234 175.510 -0.005 0.000 1.171 112 N CA -1.255 51.791 53.050 -0.006 0.000 0.948 112 N CB 1.321 39.804 38.487 -0.006 0.000 1.069 112 N HN 0.254 nan 8.380 nan 0.000 0.460 113 P HA -0.050 nan 4.420 nan 0.000 0.213 113 P C 1.762 179.059 177.300 -0.004 0.000 1.170 113 P CA 1.153 64.250 63.100 -0.005 0.000 0.893 113 P CB 0.176 31.872 31.700 -0.007 0.000 0.784 114 M N -0.512 119.084 119.600 -0.006 0.000 2.260 114 M HA -0.167 4.313 4.480 0.000 0.000 0.261 114 M C 1.163 177.461 176.300 -0.003 0.000 1.066 114 M CA 1.682 56.980 55.300 -0.005 0.000 1.082 114 M CB -1.487 31.109 32.600 -0.007 0.000 1.388 114 M HN 0.007 nan 8.290 nan 0.000 0.419 115 D N -0.202 120.195 120.400 -0.004 0.000 2.149 115 D HA 0.030 4.670 4.640 0.000 0.000 0.206 115 D C 2.224 178.523 176.300 -0.002 0.000 0.967 115 D CA 0.694 54.692 54.000 -0.003 0.000 0.848 115 D CB -0.186 40.613 40.800 -0.003 0.000 0.998 115 D HN 0.304 nan 8.370 nan 0.000 0.474 116 L N 1.030 122.252 121.223 -0.002 0.000 2.129 116 L HA -0.210 4.130 4.340 0.000 0.000 0.212 116 L C 2.451 179.322 176.870 0.000 0.000 1.087 116 L CA 1.169 56.009 54.840 -0.001 0.000 0.757 116 L CB -0.339 41.720 42.059 -0.001 0.000 0.896 116 L HN 0.036 nan 8.230 nan 0.000 0.434 117 K N 0.308 120.708 120.400 0.000 0.000 2.103 117 K HA -0.190 4.130 4.320 0.000 0.000 0.204 117 K C 2.298 178.899 176.600 0.002 0.000 1.052 117 K CA 1.005 57.293 56.287 0.002 0.000 0.945 117 K CB 0.091 32.593 32.500 0.002 0.000 0.722 117 K HN 0.119 nan 8.250 nan 0.000 0.443 118 R N -0.141 120.359 120.500 0.000 0.000 2.057 118 R HA -0.049 4.291 4.340 0.000 0.000 0.229 118 R C 2.374 178.673 176.300 -0.000 0.000 1.136 118 R CA 1.620 57.719 56.100 -0.000 0.000 0.952 118 R CB -0.693 29.606 30.300 -0.001 0.000 0.848 118 R HN 0.378 nan 8.270 nan 0.000 0.430 119 G N 1.160 109.959 108.800 -0.000 0.000 2.547 119 G HA2 -0.311 3.649 3.960 0.000 0.000 0.221 119 G HA3 -0.311 3.649 3.960 0.000 0.000 0.221 119 G C 1.439 176.339 174.900 -0.000 0.000 1.140 119 G CA 1.307 46.407 45.100 -0.000 0.000 0.760 119 G HN 0.300 nan 8.290 nan 0.000 0.583 120 I N 0.587 121.158 120.570 0.001 0.000 2.202 120 I HA -0.119 4.051 4.170 0.000 0.000 0.242 120 I C 2.241 178.358 176.117 0.000 0.000 1.091 120 I CA 1.293 62.594 61.300 0.001 0.000 1.368 120 I CB -0.181 37.821 38.000 0.003 0.000 1.058 120 I HN 0.085 nan 8.210 nan 0.000 0.410 121 D N 0.549 120.950 120.400 0.000 0.000 2.264 121 D HA -0.181 4.459 4.640 0.000 0.000 0.208 121 D C 2.006 178.304 176.300 -0.004 0.000 0.966 121 D CA 0.979 54.978 54.000 -0.002 0.000 0.864 121 D CB 0.002 40.801 40.800 -0.001 0.000 0.933 121 D HN 0.337 nan 8.370 nan 0.000 0.499 122 K N 0.872 121.270 120.400 -0.003 0.000 1.991 122 K HA -0.032 4.288 4.320 0.000 0.000 0.207 122 K C 2.133 178.731 176.600 -0.004 0.000 1.045 122 K CA 0.970 57.255 56.287 -0.003 0.000 0.937 122 K CB -0.039 32.459 32.500 -0.002 0.000 0.720 122 K HN -0.071 nan 8.250 nan 0.000 0.438 123 A N 0.845 123.663 122.820 -0.002 0.000 2.009 123 A HA -0.183 4.137 4.320 0.000 0.000 0.222 123 A C 2.202 179.784 177.584 -0.004 0.000 1.175 123 A CA 2.015 54.051 52.037 -0.002 0.000 0.651 123 A CB -0.752 18.247 19.000 -0.001 0.000 0.815 123 A HN 0.226 nan 8.150 nan 0.000 0.459 124 V N -0.877 119.034 119.914 -0.005 0.000 2.273 124 V HA -0.174 3.946 4.120 0.000 0.000 0.242 124 V C 2.658 178.744 176.094 -0.013 0.000 1.035 124 V CA 2.296 64.590 62.300 -0.009 0.000 1.013 124 V CB -1.228 30.587 31.823 -0.012 0.000 0.652 124 V HN 0.602 nan 8.190 nan 0.000 0.452 125 T N 0.670 115.217 114.554 -0.013 0.000 2.792 125 T HA -0.259 4.091 4.350 0.000 0.000 0.268 125 T C 1.832 176.525 174.700 -0.011 0.000 1.059 125 T CA 1.699 63.791 62.100 -0.014 0.000 1.136 125 T CB -0.399 68.462 68.868 -0.012 0.000 0.846 125 T HN 0.568 nan 8.240 nan 0.000 0.489 126 A N 1.375 124.190 122.820 -0.008 0.000 1.843 126 A HA 0.440 4.760 4.320 0.000 0.000 0.213 126 A C 2.694 180.275 177.584 -0.005 0.000 1.202 126 A CA 1.238 53.272 52.037 -0.005 0.000 0.607 126 A CB -1.221 17.777 19.000 -0.003 0.000 0.847 126 A HN 0.480 nan 8.150 nan 0.000 0.445 127 A N -0.362 122.456 122.820 -0.005 0.000 2.076 127 A HA -0.011 4.309 4.320 0.000 0.000 0.220 127 A C 2.075 179.655 177.584 -0.007 0.000 1.160 127 A CA 1.788 53.823 52.037 -0.004 0.000 0.653 127 A CB -0.841 18.157 19.000 -0.003 0.000 0.801 127 A HN 0.422 nan 8.150 nan 0.000 0.455 128 V N -0.392 119.515 119.914 -0.012 0.000 2.626 128 V HA -0.221 3.899 4.120 0.000 0.000 0.252 128 V C 2.261 178.347 176.094 -0.012 0.000 1.067 128 V CA 2.176 64.466 62.300 -0.017 0.000 1.081 128 V CB -0.670 31.138 31.823 -0.026 0.000 0.686 128 V HN 0.654 nan 8.190 nan 0.000 0.468 129 E N -0.166 120.029 120.200 -0.009 0.000 2.075 129 E HA -0.147 4.203 4.350 0.000 0.000 0.190 129 E C 2.168 178.767 176.600 -0.002 0.000 0.969 129 E CA 0.608 57.005 56.400 -0.005 0.000 0.815 129 E CB -0.106 29.591 29.700 -0.005 0.000 0.776 129 E HN 0.422 nan 8.360 nan 0.000 0.457 130 E N 0.946 121.145 120.200 -0.000 0.000 2.284 130 E HA -0.205 4.145 4.350 0.000 0.000 0.200 130 E C 1.696 178.299 176.600 0.005 0.000 1.008 130 E CA 0.586 56.988 56.400 0.003 0.000 0.829 130 E CB -0.039 29.663 29.700 0.004 0.000 0.744 130 E HN 0.123 nan 8.360 nan 0.000 0.491 131 L N 0.174 121.398 121.223 0.002 0.000 2.162 131 L HA 0.031 4.371 4.340 0.000 0.000 0.205 131 L C 1.655 178.527 176.870 0.003 0.000 1.086 131 L CA 1.281 56.123 54.840 0.003 0.000 0.778 131 L CB -0.007 42.052 42.059 -0.001 0.000 0.928 131 L HN -0.082 nan 8.230 nan 0.000 0.446 132 K N -0.377 120.023 120.400 0.000 0.000 2.574 132 K HA -0.022 4.298 4.320 0.000 0.000 0.193 132 K C 1.755 178.357 176.600 0.004 0.000 1.035 132 K CA 0.567 56.855 56.287 0.001 0.000 0.982 132 K CB -0.056 32.443 32.500 -0.002 0.000 0.795 132 K HN 0.441 nan 8.250 nan 0.000 0.491 133 A N 1.468 124.291 122.820 0.005 0.000 1.835 133 A HA -0.070 4.250 4.320 0.000 0.000 0.213 133 A C 1.984 179.574 177.584 0.010 0.000 1.210 133 A CA 0.688 52.730 52.037 0.007 0.000 0.605 133 A CB -0.496 18.509 19.000 0.008 0.000 0.860 133 A HN 0.108 nan 8.150 nan 0.000 0.447 134 L N 0.484 121.714 121.223 0.013 0.000 2.081 134 L HA -0.125 4.215 4.340 0.000 0.000 0.212 134 L C 1.550 178.429 176.870 0.015 0.000 1.080 134 L CA 1.220 56.069 54.840 0.017 0.000 0.754 134 L CB -1.279 40.792 42.059 0.020 0.000 0.893 134 L HN 0.431 nan 8.230 nan 0.000 0.433 135 S N 0.418 116.125 115.700 0.011 0.000 3.225 135 S HA -0.009 4.461 4.470 0.000 0.000 0.378 135 S C -0.115 174.491 174.600 0.010 0.000 1.190 135 S CA -0.267 57.939 58.200 0.010 0.000 1.104 135 S CB -0.119 63.085 63.200 0.007 0.000 0.795 135 S HN 0.081 nan 8.310 nan 0.000 0.517 136 V N 9.774 129.695 119.914 0.012 0.000 2.311 136 V HA 0.315 4.435 4.120 0.000 0.000 0.275 136 V C -1.684 174.416 176.094 0.010 0.000 1.022 136 V CA -1.745 60.562 62.300 0.011 0.000 0.830 136 V CB 0.797 32.628 31.823 0.014 0.000 1.012 136 V HN 0.765 nan 8.190 nan 0.000 0.452 137 P HA -0.134 nan 4.420 nan 0.000 0.277 137 P C -0.129 177.175 177.300 0.007 0.000 1.237 137 P CA 0.196 63.300 63.100 0.007 0.000 0.819 137 P CB 0.309 32.013 31.700 0.006 0.000 0.841 138 C N 0.940 120.244 119.300 0.006 0.000 3.079 138 C HA 0.303 4.763 4.460 0.000 0.000 0.246 138 C C 1.183 176.175 174.990 0.004 0.000 1.025 138 C CA 0.031 59.052 59.018 0.006 0.000 1.081 138 C CB -1.352 26.392 27.740 0.007 0.000 1.757 138 C HN 0.554 nan 8.230 nan 0.000 0.646 139 S N 0.608 116.310 115.700 0.003 0.000 2.527 139 S HA 0.085 4.555 4.470 0.000 0.000 0.227 139 S C 0.361 174.962 174.600 0.001 0.000 1.059 139 S CA 0.181 58.382 58.200 0.002 0.000 0.919 139 S CB 0.042 63.243 63.200 0.002 0.000 0.805 139 S HN 0.922 nan 8.310 nan 0.000 0.500 140 D N 2.333 122.734 120.400 0.002 0.000 2.348 140 D HA 0.084 4.724 4.640 0.000 0.000 0.253 140 D C 0.673 176.973 176.300 0.001 0.000 1.161 140 D CA -0.002 53.999 54.000 0.001 0.000 0.876 140 D CB 1.121 41.922 40.800 0.002 0.000 1.160 140 D HN 0.160 nan 8.370 nan 0.000 0.459 141 S N 1.665 117.365 115.700 0.000 0.000 2.559 141 S HA -0.242 4.228 4.470 0.000 0.000 0.250 141 S C 1.346 175.946 174.600 0.001 0.000 0.977 141 S CA 0.701 58.901 58.200 -0.000 0.000 0.958 141 S CB -0.303 62.897 63.200 -0.001 0.000 0.751 141 S HN 0.661 nan 8.310 nan 0.000 0.534 142 K N 1.323 121.724 120.400 0.002 0.000 2.141 142 K HA 0.258 4.578 4.320 0.000 0.000 0.202 142 K C 2.226 178.828 176.600 0.003 0.000 1.045 142 K CA 0.738 57.026 56.287 0.002 0.000 0.971 142 K CB -0.423 32.078 32.500 0.003 0.000 0.795 142 K HN 0.353 nan 8.250 nan 0.000 0.459 143 A N 1.323 124.145 122.820 0.004 0.000 2.014 143 A HA -0.002 4.318 4.320 0.000 0.000 0.218 143 A C 1.971 179.558 177.584 0.005 0.000 1.163 143 A CA 0.740 52.781 52.037 0.005 0.000 0.652 143 A CB -0.421 18.582 19.000 0.006 0.000 0.808 143 A HN 0.320 nan 8.150 nan 0.000 0.449 144 I N -0.354 120.219 120.570 0.004 0.000 2.286 144 I HA -0.278 3.892 4.170 0.000 0.000 0.248 144 I C 2.951 179.071 176.117 0.004 0.000 1.115 144 I CA 0.955 62.257 61.300 0.004 0.000 1.392 144 I CB -0.261 37.739 38.000 0.001 0.000 1.065 144 I HN 0.386 nan 8.210 nan 0.000 0.418 145 A N 0.368 123.190 122.820 0.004 0.000 1.858 145 A HA -0.275 4.045 4.320 0.000 0.000 0.216 145 A C 2.206 179.793 177.584 0.005 0.000 1.190 145 A CA 1.606 53.645 52.037 0.004 0.000 0.617 145 A CB -0.720 18.282 19.000 0.003 0.000 0.827 145 A HN 0.459 nan 8.150 nan 0.000 0.443 146 Q N -0.502 119.301 119.800 0.006 0.000 2.152 146 Q HA -0.155 4.185 4.340 0.000 0.000 0.206 146 Q C 2.131 178.136 176.000 0.008 0.000 0.985 146 Q CA 1.711 57.517 55.803 0.007 0.000 0.863 146 Q CB -0.489 28.253 28.738 0.007 0.000 0.904 146 Q HN 0.512 nan 8.270 nan 0.000 0.422 147 V N 0.348 120.267 119.914 0.009 0.000 2.221 147 V HA -0.193 3.927 4.120 0.000 0.000 0.242 147 V C 2.296 178.397 176.094 0.012 0.000 1.041 147 V CA 2.078 64.385 62.300 0.011 0.000 0.995 147 V CB -1.286 30.544 31.823 0.012 0.000 0.635 147 V HN 0.557 nan 8.190 nan 0.000 0.448 148 G N -0.719 108.088 108.800 0.012 0.000 2.507 148 G HA2 -0.299 3.661 3.960 0.000 0.000 0.221 148 G HA3 -0.299 3.661 3.960 0.000 0.000 0.221 148 G C 1.649 176.556 174.900 0.011 0.000 1.119 148 G CA 1.769 46.877 45.100 0.013 0.000 0.751 148 G HN 0.484 nan 8.290 nan 0.000 0.574 149 T N 0.985 115.544 114.554 0.009 0.000 2.821 149 T HA 0.009 4.359 4.350 0.000 0.000 0.267 149 T C 2.304 177.009 174.700 0.008 0.000 1.046 149 T CA 0.864 62.968 62.100 0.007 0.000 1.139 149 T CB -0.094 68.777 68.868 0.006 0.000 0.871 149 T HN 0.325 nan 8.240 nan 0.000 0.454 150 I N 0.652 121.228 120.570 0.009 0.000 2.876 150 I HA -0.003 4.167 4.170 0.000 0.000 0.264 150 I C 2.158 178.281 176.117 0.010 0.000 1.204 150 I CA 0.550 61.855 61.300 0.008 0.000 1.485 150 I CB -0.093 37.912 38.000 0.008 0.000 1.103 150 I HN 0.109 nan 8.210 nan 0.000 0.446 151 S N 0.834 116.541 115.700 0.013 0.000 2.527 151 S HA 0.137 4.607 4.470 0.000 0.000 0.222 151 S C 1.670 176.279 174.600 0.015 0.000 0.985 151 S CA 0.755 58.964 58.200 0.016 0.000 0.921 151 S CB 0.120 63.334 63.200 0.024 0.000 0.772 151 S HN 0.482 nan 8.310 nan 0.000 0.529 152 A N 1.331 124.158 122.820 0.012 0.000 2.500 152 A HA 0.444 4.764 4.320 0.000 0.000 0.267 152 A C 0.568 178.157 177.584 0.007 0.000 1.290 152 A CA -0.363 51.681 52.037 0.011 0.000 0.928 152 A CB -0.400 18.606 19.000 0.010 0.000 1.066 152 A HN 0.367 nan 8.150 nan 0.000 0.516 153 N N -0.254 118.449 118.700 0.006 0.000 2.746 153 N HA -0.208 4.532 4.740 0.000 0.000 0.250 153 N C 0.201 175.713 175.510 0.003 0.000 1.055 153 N CA 1.049 54.102 53.050 0.004 0.000 0.699 153 N CB -1.869 36.619 38.487 0.003 0.000 0.919 153 N HN 0.519 nan 8.380 nan 0.000 0.548 154 S N -1.570 114.132 115.700 0.003 0.000 3.490 154 S HA -0.230 4.240 4.470 0.000 0.000 0.301 154 S C -0.371 174.230 174.600 0.003 0.000 1.233 154 S CA 0.825 59.026 58.200 0.002 0.000 0.914 154 S CB -1.045 62.155 63.200 0.000 0.000 1.047 154 S HN 0.766 nan 8.310 nan 0.000 0.602 155 D N 1.351 121.753 120.400 0.004 0.000 2.441 155 D HA 0.223 4.863 4.640 0.000 0.000 0.221 155 D C 1.130 177.432 176.300 0.004 0.000 1.156 155 D CA -0.270 53.733 54.000 0.003 0.000 0.896 155 D CB 0.512 41.314 40.800 0.004 0.000 1.028 155 D HN 0.473 nan 8.370 nan 0.000 0.509 156 E N 1.366 121.568 120.200 0.003 0.000 2.130 156 E HA -0.179 4.171 4.350 0.000 0.000 0.196 156 E C 1.528 178.129 176.600 0.003 0.000 0.998 156 E CA 1.291 57.693 56.400 0.003 0.000 0.806 156 E CB 0.145 29.846 29.700 0.002 0.000 0.738 156 E HN 0.500 nan 8.360 nan 0.000 0.459 157 T N 1.053 115.609 114.554 0.002 0.000 2.699 157 T HA -0.183 4.167 4.350 0.000 0.000 0.268 157 T C 2.100 176.802 174.700 0.003 0.000 1.036 157 T CA 1.478 63.579 62.100 0.002 0.000 1.147 157 T CB -0.325 68.544 68.868 0.002 0.000 0.862 157 T HN 0.001 nan 8.240 nan 0.000 0.446 158 V N 1.479 121.395 119.914 0.004 0.000 2.216 158 V HA -0.097 4.023 4.120 0.000 0.000 0.243 158 V C 2.931 179.028 176.094 0.004 0.000 1.044 158 V CA 1.998 64.301 62.300 0.005 0.000 0.995 158 V CB -1.636 30.191 31.823 0.007 0.000 0.633 158 V HN 0.576 nan 8.190 nan 0.000 0.446 159 G N 0.027 108.830 108.800 0.005 0.000 2.663 159 G HA2 -0.448 3.512 3.960 0.000 0.000 0.222 159 G HA3 -0.448 3.512 3.960 0.000 0.000 0.222 159 G C 1.632 176.534 174.900 0.002 0.000 1.146 159 G CA 1.802 46.904 45.100 0.004 0.000 0.764 159 G HN 0.543 nan 8.290 nan 0.000 0.608 160 K N 0.062 120.463 120.400 0.002 0.000 2.002 160 K HA 0.021 4.341 4.320 0.000 0.000 0.209 160 K C 2.634 179.233 176.600 -0.001 0.000 1.048 160 K CA 1.181 57.469 56.287 0.000 0.000 0.930 160 K CB -0.381 32.119 32.500 0.000 0.000 0.714 160 K HN 0.349 nan 8.250 nan 0.000 0.438 161 L N 1.138 122.361 121.223 -0.000 0.000 2.034 161 L HA -0.290 4.050 4.340 0.000 0.000 0.217 161 L C 2.494 179.362 176.870 -0.004 0.000 1.077 161 L CA 1.621 56.460 54.840 -0.002 0.000 0.769 161 L CB -0.410 41.648 42.059 -0.001 0.000 0.890 161 L HN 0.331 nan 8.230 nan 0.000 0.435 162 I N -0.786 119.782 120.570 -0.003 0.000 2.090 162 I HA -0.332 3.838 4.170 0.000 0.000 0.236 162 I C 2.811 178.924 176.117 -0.006 0.000 1.064 162 I CA 1.291 62.588 61.300 -0.005 0.000 1.324 162 I CB -0.669 37.329 38.000 -0.003 0.000 1.044 162 I HN 0.251 nan 8.210 nan 0.000 0.399 163 A N 0.610 123.427 122.820 -0.004 0.000 1.915 163 A HA -0.301 4.019 4.320 0.000 0.000 0.220 163 A C 2.182 179.763 177.584 -0.005 0.000 1.198 163 A CA 2.285 54.320 52.037 -0.004 0.000 0.647 163 A CB -0.885 18.114 19.000 -0.002 0.000 0.825 163 A HN 0.547 nan 8.150 nan 0.000 0.456 164 E N -0.622 119.575 120.200 -0.004 0.000 2.153 164 E HA -0.104 4.246 4.350 0.000 0.000 0.194 164 E C 2.310 178.906 176.600 -0.007 0.000 0.988 164 E CA 0.858 57.255 56.400 -0.005 0.000 0.811 164 E CB -0.274 29.423 29.700 -0.004 0.000 0.746 164 E HN 0.675 nan 8.360 nan 0.000 0.466 165 A N 1.293 124.108 122.820 -0.008 0.000 1.854 165 A HA -0.138 4.182 4.320 0.000 0.000 0.214 165 A C 2.182 179.759 177.584 -0.013 0.000 1.192 165 A CA 1.109 53.140 52.037 -0.011 0.000 0.611 165 A CB -0.411 18.581 19.000 -0.014 0.000 0.832 165 A HN 0.100 nan 8.150 nan 0.000 0.442 166 M N -0.798 118.794 119.600 -0.013 0.000 2.202 166 M HA -0.169 4.311 4.480 0.000 0.000 0.262 166 M C 1.401 177.695 176.300 -0.010 0.000 1.063 166 M CA 1.777 57.069 55.300 -0.013 0.000 1.097 166 M CB -0.610 31.983 32.600 -0.012 0.000 1.382 166 M HN 0.368 nan 8.290 nan 0.000 0.413 167 D N 0.292 120.687 120.400 -0.008 0.000 2.378 167 D HA -0.065 4.575 4.640 0.000 0.000 0.227 167 D C 1.795 178.091 176.300 -0.007 0.000 1.012 167 D CA 0.760 54.756 54.000 -0.006 0.000 0.905 167 D CB 0.298 41.095 40.800 -0.005 0.000 0.895 167 D HN 0.043 nan 8.370 nan 0.000 0.532 168 K N -0.677 119.718 120.400 -0.008 0.000 2.399 168 K HA 0.114 4.434 4.320 0.000 0.000 0.196 168 K C 0.882 177.477 176.600 -0.009 0.000 1.103 168 K CA 0.442 56.724 56.287 -0.008 0.000 0.986 168 K CB 1.519 34.014 32.500 -0.009 0.000 0.952 168 K HN 0.154 nan 8.250 nan 0.000 0.541 169 V N -3.069 116.838 119.914 -0.011 0.000 3.261 169 V HA 0.438 4.558 4.120 0.000 0.000 0.330 169 V C 0.257 176.344 176.094 -0.011 0.000 1.461 169 V CA -0.191 62.102 62.300 -0.011 0.000 1.127 169 V CB 0.104 31.919 31.823 -0.014 0.000 1.044 169 V HN 0.214 nan 8.190 nan 0.000 0.499 170 G N 2.523 111.316 108.800 -0.010 0.000 2.750 170 G HA2 -0.205 3.755 3.960 0.000 0.000 0.686 170 G HA3 -0.205 3.755 3.960 0.000 0.000 0.686 170 G C 0.237 175.130 174.900 -0.012 0.000 1.395 170 G CA -0.024 45.070 45.100 -0.010 0.000 0.918 170 G HN 0.774 nan 8.290 nan 0.000 0.594 171 K N 0.343 120.737 120.400 -0.010 0.000 2.633 171 K HA -0.020 4.300 4.320 0.000 0.000 0.193 171 K C 0.611 177.202 176.600 -0.014 0.000 1.033 171 K CA 1.363 57.642 56.287 -0.012 0.000 0.980 171 K CB 0.388 32.883 32.500 -0.008 0.000 0.800 171 K HN 0.519 nan 8.250 nan 0.000 0.493 172 E N 1.104 121.296 120.200 -0.013 0.000 2.651 172 E HA 0.125 4.475 4.350 0.000 0.000 0.208 172 E C 0.400 176.990 176.600 -0.016 0.000 0.997 172 E CA -0.102 56.290 56.400 -0.014 0.000 1.020 172 E CB 1.181 30.875 29.700 -0.009 0.000 1.052 172 E HN 0.414 nan 8.360 nan 0.000 0.465 173 G N 0.394 109.182 108.800 -0.020 0.000 2.642 173 G HA2 0.438 4.398 3.960 0.000 0.000 0.291 173 G HA3 0.438 4.398 3.960 0.000 0.000 0.291 173 G C -0.079 174.802 174.900 -0.031 0.000 1.345 173 G CA -0.436 44.651 45.100 -0.022 0.000 1.043 173 G HN -0.034 nan 8.290 nan 0.000 0.528 174 V N 0.054 119.950 119.914 -0.031 0.000 2.509 174 V HA 0.570 4.690 4.120 0.000 0.000 0.284 174 V C -0.120 175.948 176.094 -0.042 0.000 1.047 174 V CA -0.359 61.917 62.300 -0.041 0.000 0.952 174 V CB 0.882 32.683 31.823 -0.037 0.000 0.988 174 V HN 0.481 nan 8.190 nan 0.000 0.469 175 I N 3.189 123.727 120.570 -0.054 0.000 2.571 175 I HA 0.525 4.695 4.170 0.000 0.000 0.289 175 I C -0.365 175.720 176.117 -0.053 0.000 1.115 175 I CA -0.155 61.115 61.300 -0.049 0.000 1.045 175 I CB 2.478 40.447 38.000 -0.052 0.000 1.238 175 I HN 0.614 nan 8.210 nan 0.000 0.424 176 T N 4.568 119.099 114.554 -0.039 0.000 2.907 176 T HA 0.595 4.945 4.350 0.000 0.000 0.292 176 T C -0.494 174.193 174.700 -0.021 0.000 1.043 176 T CA -0.718 61.363 62.100 -0.033 0.000 1.003 176 T CB 2.488 71.338 68.868 -0.031 0.000 1.084 176 T HN 0.382 nan 8.240 nan 0.000 0.483 177 V N 0.110 120.016 119.914 -0.013 0.000 2.378 177 V HA 0.639 4.759 4.120 0.000 0.000 0.288 177 V C -0.176 175.917 176.094 -0.002 0.000 1.016 177 V CA -0.820 61.477 62.300 -0.005 0.000 0.840 177 V CB 0.983 32.808 31.823 0.003 0.000 0.994 177 V HN 0.864 nan 8.190 nan 0.000 0.431 178 E N 2.555 122.753 120.200 -0.004 0.000 2.961 178 E HA 0.425 4.775 4.350 0.000 0.000 0.254 178 E C -0.931 175.669 176.600 -0.000 0.000 1.192 178 E CA -0.938 55.461 56.400 -0.003 0.000 1.069 178 E CB 0.819 30.515 29.700 -0.006 0.000 1.338 178 E HN 0.761 nan 8.360 nan 0.000 0.596 179 D N -0.119 120.281 120.400 -0.000 0.000 2.277 179 D HA 0.282 4.922 4.640 0.000 0.000 0.250 179 D C -0.141 176.159 176.300 -0.000 0.000 1.032 179 D CA -0.218 53.782 54.000 0.001 0.000 0.947 179 D CB 1.487 42.288 40.800 0.002 0.000 1.159 179 D HN 0.441 nan 8.370 nan 0.000 0.460 180 G N -0.909 107.891 108.800 0.001 0.000 2.539 180 G HA2 0.286 4.246 3.960 0.000 0.000 0.258 180 G HA3 0.286 4.246 3.960 0.000 0.000 0.258 180 G C 0.834 175.734 174.900 -0.001 0.000 1.202 180 G CA -0.306 44.794 45.100 -0.000 0.000 0.851 180 G HN 0.449 nan 8.290 nan 0.000 0.556 181 T N -2.751 111.803 114.554 -0.001 0.000 3.069 181 T HA 0.470 4.820 4.350 0.000 0.000 0.252 181 T C 0.974 175.673 174.700 -0.001 0.000 1.053 181 T CA 0.517 62.616 62.100 -0.002 0.000 0.964 181 T CB 0.339 69.206 68.868 -0.002 0.000 1.005 181 T HN 2.008 nan 8.240 nan 0.000 0.532 182 G N 2.005 110.805 108.800 -0.000 0.000 2.314 182 G HA2 0.303 4.263 3.960 0.000 0.000 0.286 182 G HA3 0.303 4.263 3.960 0.000 0.000 0.286 182 G C -0.570 174.330 174.900 -0.000 0.000 1.270 182 G CA -0.616 44.483 45.100 -0.000 0.000 1.277 182 G HN 0.625 nan 8.290 nan 0.000 0.635 183 L N -0.025 121.198 121.223 0.000 0.000 0.611 183 L HA -0.184 4.156 4.340 0.000 0.000 0.356 183 L C 0.469 177.339 176.870 -0.000 0.000 1.007 183 L CA 2.324 57.164 54.840 0.000 0.000 1.222 183 L CB -0.310 41.750 42.059 0.000 0.000 0.016 183 L HN 1.794 nan 8.230 nan 0.000 0.101 184 Q N 1.549 121.349 119.800 -0.000 0.000 2.667 184 Q HA -0.123 4.217 4.340 0.000 0.000 0.210 184 Q C -0.611 175.389 176.000 -0.001 0.000 1.417 184 Q CA 1.020 56.823 55.803 -0.000 0.000 0.607 184 Q CB -0.573 28.165 28.738 -0.001 0.000 0.739 184 Q HN 0.598 nan 8.270 nan 0.000 0.315 185 D N 3.356 123.755 120.400 -0.001 0.000 2.455 185 D HA 0.036 4.676 4.640 0.000 0.000 0.241 185 D C 0.299 176.598 176.300 -0.002 0.000 1.138 185 D CA 0.764 54.764 54.000 -0.001 0.000 0.877 185 D CB 0.716 41.515 40.800 -0.001 0.000 1.187 185 D HN 0.308 nan 8.370 nan 0.000 0.451 186 E N 0.298 120.497 120.200 -0.003 0.000 2.221 186 E HA 0.595 4.945 4.350 0.000 0.000 0.268 186 E C -0.905 175.693 176.600 -0.005 0.000 0.933 186 E CA -0.990 55.408 56.400 -0.004 0.000 0.809 186 E CB 2.267 31.965 29.700 -0.004 0.000 1.190 186 E HN 0.125 nan 8.360 nan 0.000 0.406 187 L N 2.807 124.027 121.223 -0.005 0.000 2.543 187 L HA 0.414 4.754 4.340 0.000 0.000 0.265 187 L C -2.194 174.672 176.870 -0.007 0.000 0.945 187 L CA -0.266 54.570 54.840 -0.006 0.000 0.869 187 L CB 1.767 43.823 42.059 -0.006 0.000 1.294 187 L HN 0.599 nan 8.230 nan 0.000 0.405 188 D N 3.527 123.922 120.400 -0.008 0.000 2.623 188 D HA 0.441 5.081 4.640 0.000 0.000 0.241 188 D C -1.324 174.970 176.300 -0.009 0.000 1.241 188 D CA -0.420 53.575 54.000 -0.008 0.000 0.788 188 D CB 2.087 42.882 40.800 -0.007 0.000 1.413 188 D HN 0.304 nan 8.370 nan 0.000 0.429 189 V N 0.252 120.161 119.914 -0.008 0.000 2.427 189 V HA 0.591 4.711 4.120 0.000 0.000 0.286 189 V C 0.351 176.440 176.094 -0.009 0.000 1.034 189 V CA -0.647 61.648 62.300 -0.009 0.000 0.893 189 V CB 1.289 33.107 31.823 -0.008 0.000 0.982 189 V HN 0.605 nan 8.190 nan 0.000 0.452 190 V N 1.202 121.110 119.914 -0.009 0.000 2.962 190 V HA 0.648 4.768 4.120 0.000 0.000 0.313 190 V C -0.343 175.747 176.094 -0.007 0.000 1.099 190 V CA -1.019 61.276 62.300 -0.008 0.000 0.971 190 V CB 2.170 33.987 31.823 -0.011 0.000 1.028 190 V HN 0.710 nan 8.190 nan 0.000 0.430 191 E N 2.452 122.649 120.200 -0.004 0.000 2.341 191 E HA 0.468 4.818 4.350 0.000 0.000 0.256 191 E C 0.355 176.955 176.600 0.001 0.000 1.125 191 E CA 0.843 57.243 56.400 -0.001 0.000 0.939 191 E CB 0.779 30.479 29.700 0.001 0.000 0.991 191 E HN 1.099 nan 8.360 nan 0.000 0.458 192 G N 1.689 110.491 108.800 0.002 0.000 2.911 192 G HA2 0.750 4.710 3.960 0.000 0.000 0.299 192 G HA3 0.750 4.710 3.960 0.000 0.000 0.299 192 G C -0.925 173.985 174.900 0.016 0.000 1.283 192 G CA -0.551 44.552 45.100 0.005 0.000 0.805 192 G HN 0.416 nan 8.290 nan 0.000 0.548 193 M N -0.881 118.729 119.600 0.016 0.000 2.790 193 M HA 0.523 5.003 4.480 0.000 0.000 0.272 193 M C -2.458 173.844 176.300 0.003 0.000 1.168 193 M CA -0.621 54.703 55.300 0.040 0.000 0.829 193 M CB 2.380 35.040 32.600 0.099 0.000 1.675 193 M HN 0.634 nan 8.290 nan 0.000 0.505 194 Q N 2.739 122.550 119.800 0.019 0.000 2.280 194 Q HA 0.541 4.881 4.340 0.000 0.000 0.259 194 Q C -2.252 173.749 176.000 0.002 0.000 0.964 194 Q CA -0.517 55.225 55.803 -0.100 0.000 0.844 194 Q CB 1.851 30.530 28.738 -0.099 0.000 1.334 194 Q HN 0.584 nan 8.270 nan 0.000 0.423 195 F N -0.018 119.925 119.950 -0.013 0.000 2.579 195 F HA 0.549 5.076 4.527 0.000 0.000 0.324 195 F C 0.115 175.909 175.800 -0.011 0.000 1.058 195 F CA -1.138 56.856 58.000 -0.009 0.000 0.944 195 F CB 0.965 39.963 39.000 -0.004 0.000 1.245 195 F HN 0.284 nan 8.300 nan 0.000 0.477 196 D N 2.426 122.955 120.400 0.215 0.000 2.982 196 D HA 0.095 4.735 4.640 0.000 0.000 0.238 196 D C -0.173 176.207 176.300 0.133 0.000 1.168 196 D CA 0.339 54.406 54.000 0.111 0.000 0.947 196 D CB -0.052 40.800 40.800 0.086 0.000 1.147 196 D HN 0.243 nan 8.370 nan 0.000 0.450 197 R N -0.031 120.570 120.500 0.168 0.000 2.686 197 R HA 0.593 4.933 4.340 0.000 0.000 0.286 197 R C 0.365 176.672 176.300 0.012 0.000 0.969 197 R CA -0.722 55.471 56.100 0.155 0.000 0.898 197 R CB 2.179 32.689 30.300 0.350 0.000 1.183 197 R HN 0.101 nan 8.270 nan 0.000 0.456 198 G N 0.878 109.653 108.800 -0.042 0.000 2.667 198 G HA2 0.453 4.413 3.960 0.000 0.000 0.310 198 G HA3 0.453 4.413 3.960 0.000 0.000 0.310 198 G C -0.742 174.114 174.900 -0.073 0.000 1.259 198 G CA -0.565 44.423 45.100 -0.186 0.000 1.019 198 G HN 0.433 nan 8.290 nan 0.000 0.496 199 Y N -0.843 119.479 120.300 0.037 0.000 2.652 199 Y HA 0.263 4.813 4.550 0.000 0.000 0.344 199 Y C 1.349 177.314 175.900 0.108 0.000 1.254 199 Y CA -1.018 57.116 58.100 0.057 0.000 1.480 199 Y CB 0.179 38.711 38.460 0.121 0.000 1.345 199 Y HN 0.213 nan 8.280 nan 0.000 0.617 200 L N 1.231 122.699 121.223 0.409 0.000 2.240 200 L HA 0.055 4.395 4.340 0.000 0.000 0.211 200 L C 0.518 177.598 176.870 0.351 0.000 1.106 200 L CA 1.176 56.219 54.840 0.339 0.000 0.793 200 L CB -0.454 41.773 42.059 0.281 0.000 0.927 200 L HN 0.838 nan 8.230 nan 0.000 0.446 201 S N -3.109 112.824 115.700 0.389 0.000 2.537 201 S HA 0.487 4.957 4.470 0.000 0.000 0.271 201 S C -2.752 171.697 174.600 -0.251 0.000 1.148 201 S CA -1.205 57.041 58.200 0.077 0.000 0.868 201 S CB 2.056 65.281 63.200 0.042 0.000 1.115 201 S HN -0.286 nan 8.310 nan 0.000 0.461 202 P HA 0.207 nan 4.420 nan 0.000 0.317 202 P C 0.258 177.241 177.300 -0.528 0.000 1.427 202 P CA 0.556 63.171 63.100 -0.808 0.000 0.820 202 P CB -0.158 31.075 31.700 -0.779 0.000 1.894 203 Y N -4.557 115.566 120.300 -0.295 0.000 2.843 203 Y HA -0.313 4.237 4.550 0.000 0.000 0.492 203 Y C 1.961 177.736 175.900 -0.209 0.000 1.055 203 Y CA 1.475 59.414 58.100 -0.267 0.000 2.997 203 Y CB -3.171 35.076 38.460 -0.354 0.000 0.837 203 Y HN 0.080 nan 8.280 nan 0.000 0.553 204 F N 0.459 120.418 119.950 0.016 0.000 2.236 204 F HA -0.124 4.403 4.527 0.000 0.000 0.302 204 F C 1.503 177.304 175.800 0.002 0.000 1.073 204 F CA 0.976 58.985 58.000 0.014 0.000 1.336 204 F CB -0.752 38.252 39.000 0.007 0.000 1.040 204 F HN -0.011 nan 8.300 nan 0.000 0.507 205 I N 2.492 123.132 120.570 0.117 0.000 2.943 205 I HA -0.225 3.945 4.170 0.000 0.000 0.296 205 I C 0.756 176.919 176.117 0.076 0.000 1.220 205 I CA 0.536 61.877 61.300 0.068 0.000 1.409 205 I CB -0.129 37.860 38.000 -0.018 0.000 1.374 205 I HN 0.238 nan 8.210 nan 0.000 0.545 206 N N 4.854 123.603 118.700 0.082 0.000 2.184 206 N HA 0.072 4.812 4.740 0.000 0.000 0.206 206 N C -0.027 175.513 175.510 0.051 0.000 1.151 206 N CA -0.143 52.947 53.050 0.066 0.000 0.878 206 N CB 0.485 39.014 38.487 0.069 0.000 1.014 206 N HN 0.486 nan 8.380 nan 0.000 0.512 207 K N 1.121 121.552 120.400 0.051 0.000 2.920 207 K HA 0.243 4.563 4.320 0.000 0.000 0.175 207 K C -2.160 174.464 176.600 0.040 0.000 1.099 207 K CA -1.542 54.771 56.287 0.042 0.000 0.939 207 K CB 1.889 34.414 32.500 0.042 0.000 1.148 207 K HN -0.003 nan 8.250 nan 0.000 0.613 208 P HA -0.176 nan 4.420 nan 0.000 0.231 208 P C 0.213 177.527 177.300 0.022 0.000 1.154 208 P CA 1.101 64.216 63.100 0.025 0.000 0.762 208 P CB 0.506 32.218 31.700 0.019 0.000 0.790 209 E N -0.129 120.086 120.200 0.024 0.000 2.016 209 E HA -0.076 4.274 4.350 0.000 0.000 0.190 209 E C 2.076 178.688 176.600 0.020 0.000 0.985 209 E CA 1.717 58.129 56.400 0.019 0.000 0.802 209 E CB -0.930 28.781 29.700 0.018 0.000 0.762 209 E HN 0.199 nan 8.360 nan 0.000 0.448 210 T N -1.278 113.293 114.554 0.029 0.000 2.942 210 T HA 0.105 4.455 4.350 0.000 0.000 0.265 210 T C 1.362 176.090 174.700 0.045 0.000 1.062 210 T CA 0.929 63.050 62.100 0.034 0.000 1.139 210 T CB -0.010 68.884 68.868 0.044 0.000 0.883 210 T HN 0.423 nan 8.240 nan 0.000 0.468 211 G N 1.059 109.893 108.800 0.057 0.000 2.130 211 G HA2 0.110 4.070 3.960 0.000 0.000 0.216 211 G HA3 0.110 4.070 3.960 0.000 0.000 0.216 211 G C 0.035 175.024 174.900 0.149 0.000 0.999 211 G CA -0.057 45.093 45.100 0.082 0.000 0.686 211 G HN 0.910 nan 8.290 nan 0.000 0.515 212 A N -1.524 121.373 122.820 0.128 0.000 2.486 212 A HA 0.989 5.309 4.320 0.000 0.000 0.277 212 A C -0.264 177.402 177.584 0.137 0.000 1.282 212 A CA -0.138 52.001 52.037 0.170 0.000 0.784 212 A CB 1.625 20.692 19.000 0.110 0.000 1.350 212 A HN 1.243 nan 8.150 nan 0.000 0.454 213 V N 0.228 120.226 119.914 0.140 0.000 2.769 213 V HA 0.664 4.784 4.120 0.000 0.000 0.312 213 V C -0.298 175.834 176.094 0.063 0.000 1.058 213 V CA -0.423 61.942 62.300 0.108 0.000 0.952 213 V CB 1.630 33.529 31.823 0.128 0.000 1.019 213 V HN 0.908 nan 8.190 nan 0.000 0.445 214 E N 2.769 123.000 120.200 0.051 0.000 2.274 214 E HA 0.612 4.962 4.350 0.000 0.000 0.269 214 E C -2.018 174.597 176.600 0.024 0.000 0.891 214 E CA -0.538 55.879 56.400 0.028 0.000 0.784 214 E CB 1.680 31.395 29.700 0.025 0.000 1.225 214 E HN 0.623 nan 8.360 nan 0.000 0.412 215 L N 3.430 124.659 121.223 0.010 0.000 2.381 215 L HA 0.519 4.859 4.340 0.000 0.000 0.274 215 L C -0.425 176.438 176.870 -0.011 0.000 0.988 215 L CA -0.872 53.972 54.840 0.007 0.000 0.824 215 L CB 1.992 44.056 42.059 0.008 0.000 1.263 215 L HN 0.476 nan 8.230 nan 0.000 0.410 216 E N 1.518 121.709 120.200 -0.015 0.000 2.156 216 E HA 0.301 4.651 4.350 0.000 0.000 0.279 216 E C -0.150 176.415 176.600 -0.058 0.000 0.965 216 E CA -0.532 55.849 56.400 -0.031 0.000 0.789 216 E CB 1.555 31.243 29.700 -0.021 0.000 1.098 216 E HN 0.636 nan 8.360 nan 0.000 0.397 217 S N 1.711 117.363 115.700 -0.081 0.000 3.614 217 S HA -0.123 4.347 4.470 0.000 0.000 0.360 217 S C -2.032 172.437 174.600 -0.218 0.000 1.023 217 S CA 0.411 58.528 58.200 -0.139 0.000 1.114 217 S CB -1.338 61.784 63.200 -0.130 0.000 0.907 217 S HN 0.517 nan 8.310 nan 0.000 0.470 218 P HA 0.548 nan 4.420 nan 0.000 0.279 218 P C -0.116 177.050 177.300 -0.224 0.000 1.276 218 P CA -0.603 62.407 63.100 -0.150 0.000 0.801 218 P CB 0.541 32.222 31.700 -0.032 0.000 1.127 219 F N -0.516 119.441 119.950 0.011 0.000 2.432 219 F HA 0.476 5.003 4.527 0.000 0.000 0.329 219 F C 0.749 176.556 175.800 0.012 0.000 1.076 219 F CA -0.444 57.563 58.000 0.012 0.000 1.018 219 F CB 0.888 39.895 39.000 0.012 0.000 1.201 219 F HN 0.046 nan 8.300 nan 0.000 0.489 220 I N 3.121 123.832 120.570 0.236 0.000 2.569 220 I HA 0.387 4.557 4.170 0.000 0.000 0.296 220 I C -1.427 174.753 176.117 0.106 0.000 1.028 220 I CA -1.116 60.264 61.300 0.133 0.000 1.082 220 I CB 2.083 40.142 38.000 0.099 0.000 1.264 220 I HN 0.233 nan 8.210 nan 0.000 0.429 221 L N 6.886 128.151 121.223 0.071 0.000 2.298 221 L HA 0.526 4.866 4.340 0.000 0.000 0.284 221 L C -1.096 175.793 176.870 0.032 0.000 1.013 221 L CA -0.189 54.677 54.840 0.044 0.000 0.824 221 L CB 0.988 43.066 42.059 0.032 0.000 1.221 221 L HN 0.473 nan 8.230 nan 0.000 0.418 222 L N 6.140 127.378 121.223 0.024 0.000 2.301 222 L HA 0.797 5.137 4.340 0.000 0.000 0.278 222 L C -0.289 176.583 176.870 0.003 0.000 1.022 222 L CA -0.428 54.418 54.840 0.010 0.000 0.854 222 L CB 1.192 43.256 42.059 0.009 0.000 1.226 222 L HN 0.780 nan 8.230 nan 0.000 0.429 223 A N 1.833 124.654 122.820 0.001 0.000 2.381 223 A HA 0.443 4.763 4.320 0.000 0.000 0.299 223 A C -1.056 176.527 177.584 -0.002 0.000 1.049 223 A CA -0.584 51.453 52.037 0.001 0.000 0.715 223 A CB 1.463 20.466 19.000 0.005 0.000 1.222 223 A HN 0.641 nan 8.150 nan 0.000 0.428 224 D N 2.521 122.919 120.400 -0.004 0.000 2.422 224 D HA 0.485 5.125 4.640 0.000 0.000 0.227 224 D C -0.044 176.258 176.300 0.003 0.000 1.190 224 D CA 0.417 54.415 54.000 -0.004 0.000 0.905 224 D CB -0.295 40.500 40.800 -0.008 0.000 1.034 224 D HN 0.703 nan 8.370 nan 0.000 0.507 225 K N 0.706 121.111 120.400 0.008 0.000 3.663 225 K HA 0.130 4.450 4.320 0.000 0.000 0.413 225 K C -1.404 175.206 176.600 0.018 0.000 1.089 225 K CA -1.131 55.164 56.287 0.013 0.000 0.860 225 K CB 0.247 32.754 32.500 0.011 0.000 1.492 225 K HN 0.020 nan 8.250 nan 0.000 0.517 226 K N 0.841 121.253 120.400 0.021 0.000 2.098 226 K HA 0.517 4.837 4.320 0.000 0.000 0.261 226 K C -0.509 176.106 176.600 0.025 0.000 0.987 226 K CA -0.634 55.668 56.287 0.025 0.000 0.916 226 K CB 0.895 33.411 32.500 0.026 0.000 1.039 226 K HN 0.376 nan 8.250 nan 0.000 0.455 227 I N 1.661 122.249 120.570 0.030 0.000 2.439 227 I HA 0.100 4.270 4.170 0.000 0.000 0.283 227 I C 0.152 176.290 176.117 0.035 0.000 1.023 227 I CA -0.105 61.213 61.300 0.031 0.000 1.100 227 I CB 1.918 39.938 38.000 0.033 0.000 1.238 227 I HN 0.626 nan 8.210 nan 0.000 0.445 228 S N 2.827 118.544 115.700 0.030 0.000 2.807 228 S HA 0.172 4.642 4.470 0.000 0.000 0.247 228 S C 0.718 175.334 174.600 0.026 0.000 1.078 228 S CA -0.128 58.090 58.200 0.030 0.000 0.867 228 S CB 0.285 63.500 63.200 0.025 0.000 0.797 228 S HN 0.574 nan 8.310 nan 0.000 0.515 229 N N 2.919 121.632 118.700 0.022 0.000 2.399 229 N HA 0.184 4.924 4.740 0.000 0.000 0.259 229 N C 0.674 176.196 175.510 0.019 0.000 1.160 229 N CA 0.023 53.084 53.050 0.018 0.000 0.946 229 N CB 0.833 39.329 38.487 0.014 0.000 1.156 229 N HN 0.338 nan 8.380 nan 0.000 0.489 230 I N 3.223 123.806 120.570 0.021 0.000 2.530 230 I HA -0.294 3.876 4.170 0.000 0.000 0.257 230 I C 1.896 178.023 176.117 0.016 0.000 1.179 230 I CA 1.173 62.487 61.300 0.022 0.000 1.440 230 I CB 0.204 38.218 38.000 0.023 0.000 1.087 230 I HN 0.426 nan 8.210 nan 0.000 0.440 231 R N 0.829 121.337 120.500 0.013 0.000 2.119 231 R HA -0.241 4.099 4.340 0.000 0.000 0.246 231 R C 1.940 178.244 176.300 0.007 0.000 1.146 231 R CA 2.153 58.258 56.100 0.009 0.000 0.962 231 R CB -0.474 29.830 30.300 0.007 0.000 0.863 231 R HN 0.573 nan 8.270 nan 0.000 0.442 232 E N -0.177 120.028 120.200 0.009 0.000 2.265 232 E HA -0.169 4.181 4.350 0.000 0.000 0.196 232 E C 1.907 178.510 176.600 0.005 0.000 0.996 232 E CA 0.846 57.250 56.400 0.006 0.000 0.832 232 E CB 0.028 29.733 29.700 0.009 0.000 0.756 232 E HN 0.270 nan 8.360 nan 0.000 0.491 233 M N 0.204 119.809 119.600 0.009 0.000 2.115 233 M HA -0.050 4.430 4.480 0.000 0.000 0.261 233 M C 2.400 178.700 176.300 0.001 0.000 1.079 233 M CA 1.086 56.391 55.300 0.008 0.000 1.143 233 M CB -1.031 31.580 32.600 0.018 0.000 1.332 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.622 121.847 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 0.000 0.000 0.231 234 L C -0.435 176.430 176.870 -0.010 0.000 1.106 234 L CA 2.067 56.906 54.840 -0.001 0.000 0.827 234 L CB -2.852 39.207 42.059 0.000 0.000 0.915 234 L HN 0.218 nan 8.230 nan 0.000 0.448 235 P HA -0.111 nan 4.420 nan 0.000 0.226 235 P C 1.385 178.666 177.300 -0.032 0.000 1.146 235 P CA 1.376 64.464 63.100 -0.019 0.000 0.773 235 P CB 0.201 31.891 31.700 -0.016 0.000 0.772 236 V N -1.314 118.580 119.914 -0.033 0.000 3.359 236 V HA 0.069 4.189 4.120 0.000 0.000 0.245 236 V C 2.456 178.519 176.094 -0.051 0.000 1.247 236 V CA 0.242 62.511 62.300 -0.053 0.000 1.145 236 V CB -0.516 31.279 31.823 -0.048 0.000 0.906 236 V HN -0.043 nan 8.190 nan 0.000 0.464 237 L N 0.271 121.480 121.223 -0.023 0.000 2.456 237 L HA -0.072 4.268 4.340 0.000 0.000 0.224 237 L C 2.234 179.098 176.870 -0.010 0.000 1.148 237 L CA 1.471 56.306 54.840 -0.008 0.000 0.825 237 L CB -0.183 41.882 42.059 0.010 0.000 0.937 237 L HN 0.468 nan 8.230 nan 0.000 0.450 238 E N -0.467 119.720 120.200 -0.020 0.000 2.251 238 E HA 0.038 4.388 4.350 0.000 0.000 0.194 238 E C 2.135 178.716 176.600 -0.032 0.000 0.964 238 E CA 0.624 57.014 56.400 -0.017 0.000 0.868 238 E CB 0.134 29.826 29.700 -0.013 0.000 0.828 238 E HN 0.387 nan 8.360 nan 0.000 0.481 239 A N 0.977 123.762 122.820 -0.058 0.000 2.168 239 A HA -0.024 4.296 4.320 0.000 0.000 0.215 239 A C 1.995 179.504 177.584 -0.125 0.000 1.152 239 A CA 0.669 52.654 52.037 -0.086 0.000 0.716 239 A CB 0.075 19.009 19.000 -0.110 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.263 118.589 119.914 -0.103 0.000 3.621 240 V HA 0.140 4.260 4.120 0.000 0.000 0.285 240 V C 2.328 178.432 176.094 0.015 0.000 1.346 240 V CA 0.835 63.083 62.300 -0.086 0.000 1.104 240 V CB 0.027 31.803 31.823 -0.077 0.000 0.913 240 V HN 0.533 nan 8.190 nan 0.000 0.432 241 A N -0.281 122.544 122.820 0.008 0.000 1.975 241 A HA 0.079 4.399 4.320 0.000 0.000 0.215 241 A C 1.439 179.044 177.584 0.035 0.000 1.170 241 A CA 0.707 52.761 52.037 0.027 0.000 0.656 241 A CB 0.018 19.028 19.000 0.016 0.000 0.821 241 A HN 0.454 nan 8.150 nan 0.000 0.449 242 K N -2.124 118.290 120.400 0.023 0.000 2.118 242 K HA 0.429 4.749 4.320 0.000 0.000 0.240 242 K C 1.068 177.710 176.600 0.070 0.000 1.035 242 K CA 0.308 56.615 56.287 0.032 0.000 0.899 242 K CB 0.321 32.829 32.500 0.013 0.000 1.085 242 K HN 0.601 nan 8.250 nan 0.000 0.498 243 A N 0.333 123.200 122.820 0.080 0.000 4.115 243 A HA -0.239 4.081 4.320 0.000 0.000 0.268 243 A C 1.203 178.861 177.584 0.124 0.000 0.917 243 A CA 1.795 53.907 52.037 0.125 0.000 1.090 243 A CB -2.440 16.695 19.000 0.225 0.000 1.067 243 A HN 1.395 nan 8.150 nan 0.000 0.828 244 G N -1.232 107.630 108.800 0.104 0.000 2.321 244 G HA2 -0.311 3.649 3.960 0.000 0.000 0.287 244 G HA3 -0.311 3.649 3.960 0.000 0.000 0.287 244 G C -0.021 174.936 174.900 0.095 0.000 1.018 244 G CA 1.516 46.667 45.100 0.085 0.000 0.855 244 G HN 1.171 nan 8.290 nan 0.000 0.507 245 K N 0.726 121.221 120.400 0.158 0.000 2.207 245 K HA 0.519 4.839 4.320 0.000 0.000 0.255 245 K C -2.007 174.697 176.600 0.175 0.000 0.941 245 K CA -1.996 54.367 56.287 0.127 0.000 0.825 245 K CB 2.373 34.902 32.500 0.048 0.000 1.119 245 K HN 0.070 nan 8.250 nan 0.000 0.430 246 P HA 0.119 nan 4.420 nan 0.000 0.274 246 P C -1.121 176.272 177.300 0.155 0.000 1.260 246 P CA -0.523 62.644 63.100 0.111 0.000 0.793 246 P CB 0.648 32.388 31.700 0.067 0.000 1.048 247 L N 0.249 121.547 121.223 0.125 0.000 2.401 247 L HA 0.568 4.908 4.340 0.000 0.000 0.266 247 L C -1.424 175.485 176.870 0.066 0.000 0.991 247 L CA -1.044 53.876 54.840 0.132 0.000 0.818 247 L CB 1.707 43.839 42.059 0.122 0.000 1.321 247 L HN 0.178 nan 8.230 nan 0.000 0.413 248 L N 5.048 126.311 121.223 0.065 0.000 2.329 248 L HA 0.669 5.009 4.340 0.000 0.000 0.279 248 L C -1.234 175.652 176.870 0.027 0.000 1.014 248 L CA -0.234 54.618 54.840 0.021 0.000 0.814 248 L CB 1.463 43.541 42.059 0.032 0.000 1.257 248 L HN 0.430 nan 8.230 nan 0.000 0.424 249 I N 6.746 127.313 120.570 -0.005 0.000 2.362 249 I HA 0.386 4.556 4.170 0.000 0.000 0.289 249 I C -0.407 175.724 176.117 0.024 0.000 0.994 249 I CA -0.293 61.014 61.300 0.012 0.000 1.158 249 I CB 1.266 39.268 38.000 0.004 0.000 1.315 249 I HN 0.534 nan 8.210 nan 0.000 0.451 250 I N 5.703 126.293 120.570 0.033 0.000 2.439 250 I HA 0.684 4.854 4.170 0.000 0.000 0.283 250 I C -0.034 176.088 176.117 0.008 0.000 1.023 250 I CA -0.247 61.071 61.300 0.029 0.000 1.100 250 I CB 1.795 39.813 38.000 0.030 0.000 1.238 250 I HN 0.709 nan 8.210 nan 0.000 0.445 251 A N 4.332 127.157 122.820 0.009 0.000 2.588 251 A HA 0.422 4.742 4.320 0.000 0.000 0.290 251 A C 0.611 178.201 177.584 0.010 0.000 1.136 251 A CA -0.540 51.501 52.037 0.007 0.000 0.681 251 A CB 1.392 20.402 19.000 0.016 0.000 1.282 251 A HN 0.714 nan 8.150 nan 0.000 0.421 252 E N -0.580 119.627 120.200 0.012 0.000 2.147 252 E HA -0.150 4.200 4.350 0.000 0.000 0.199 252 E C 0.107 176.726 176.600 0.031 0.000 1.005 252 E CA 2.110 58.522 56.400 0.020 0.000 0.810 252 E CB 0.073 29.787 29.700 0.023 0.000 0.736 252 E HN 0.636 nan 8.360 nan 0.000 0.460 253 D N -3.085 117.336 120.400 0.034 0.000 2.940 253 D HA 0.109 4.749 4.640 0.000 0.000 0.304 253 D C -2.079 174.250 176.300 0.049 0.000 1.255 253 D CA -0.368 53.659 54.000 0.045 0.000 0.734 253 D CB 1.011 41.838 40.800 0.044 0.000 1.261 253 D HN -0.135 nan 8.370 nan 0.000 0.436 254 V N 1.527 121.478 119.914 0.061 0.000 2.567 254 V HA 0.428 4.548 4.120 0.000 0.000 0.298 254 V C -0.542 175.594 176.094 0.071 0.000 1.047 254 V CA -0.686 61.654 62.300 0.067 0.000 0.880 254 V CB 1.602 33.476 31.823 0.085 0.000 1.009 254 V HN 0.442 nan 8.190 nan 0.000 0.429 255 E N 2.401 122.635 120.200 0.057 0.000 2.250 255 E HA 0.464 4.814 4.350 0.000 0.000 0.269 255 E C 1.417 178.047 176.600 0.051 0.000 1.018 255 E CA -0.136 56.296 56.400 0.052 0.000 0.873 255 E CB 1.650 31.374 29.700 0.040 0.000 1.134 255 E HN 0.777 nan 8.360 nan 0.000 0.403 256 G N 1.691 110.519 108.800 0.047 0.000 3.437 256 G HA2 -0.421 3.539 3.960 0.000 0.000 0.238 256 G HA3 -0.421 3.539 3.960 0.000 0.000 0.238 256 G C 1.222 176.144 174.900 0.036 0.000 1.054 256 G CA 1.666 46.791 45.100 0.040 0.000 0.704 256 G HN 0.545 nan 8.290 nan 0.000 0.713 257 E N 0.734 120.955 120.200 0.034 0.000 2.002 257 E HA 0.126 4.476 4.350 0.000 0.000 0.196 257 E C 2.941 179.562 176.600 0.036 0.000 0.974 257 E CA 0.971 57.389 56.400 0.029 0.000 0.853 257 E CB -0.867 28.848 29.700 0.025 0.000 0.808 257 E HN 0.335 nan 8.360 nan 0.000 0.492 258 A N 0.995 123.839 122.820 0.041 0.000 2.234 258 A HA -0.145 4.175 4.320 0.000 0.000 0.216 258 A C 2.072 179.699 177.584 0.072 0.000 1.167 258 A CA 1.148 53.215 52.037 0.050 0.000 0.698 258 A CB -0.467 18.562 19.000 0.048 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.602 120.667 121.223 0.077 0.000 2.056 259 L HA 0.208 4.548 4.340 0.000 0.000 0.202 259 L C 2.511 179.428 176.870 0.078 0.000 1.086 259 L CA 2.112 57.017 54.840 0.108 0.000 0.758 259 L CB -1.009 41.113 42.059 0.105 0.000 0.912 259 L HN 0.224 nan 8.230 nan 0.000 0.446 260 A N -1.670 121.177 122.820 0.045 0.000 2.234 260 A HA -0.128 4.192 4.320 0.000 0.000 0.216 260 A C 2.052 179.634 177.584 -0.004 0.000 1.167 260 A CA 1.867 53.909 52.037 0.009 0.000 0.698 260 A CB -1.064 17.939 19.000 0.006 0.000 0.779 260 A HN 0.598 nan 8.150 nan 0.000 0.475 261 T N -0.082 114.485 114.554 0.021 0.000 2.814 261 T HA 0.051 4.401 4.350 0.000 0.000 0.254 261 T C 1.756 176.472 174.700 0.027 0.000 1.037 261 T CA 1.178 63.289 62.100 0.019 0.000 1.143 261 T CB -0.240 68.646 68.868 0.030 0.000 0.866 261 T HN 0.413 nan 8.240 nan 0.000 0.431 262 L N 1.099 122.364 121.223 0.070 0.000 2.156 262 L HA 0.002 4.342 4.340 0.000 0.000 0.208 262 L C 2.531 179.436 176.870 0.058 0.000 1.095 262 L CA 0.590 55.499 54.840 0.115 0.000 0.770 262 L CB -0.720 41.473 42.059 0.224 0.000 0.914 262 L HN 0.113 nan 8.230 nan 0.000 0.439 263 V N -0.420 119.469 119.914 -0.041 0.000 2.688 263 V HA -0.211 3.909 4.120 0.000 0.000 0.256 263 V C 2.138 178.107 176.094 -0.208 0.000 1.084 263 V CA 1.316 63.468 62.300 -0.247 0.000 1.103 263 V CB -0.180 31.518 31.823 -0.207 0.000 0.688 263 V HN 0.269 nan 8.190 nan 0.000 0.480 264 V N -1.018 118.826 119.914 -0.117 0.000 3.048 264 V HA -0.011 4.109 4.120 0.000 0.000 0.241 264 V C 1.907 177.965 176.094 -0.061 0.000 1.129 264 V CA 1.098 63.331 62.300 -0.112 0.000 1.128 264 V CB -0.476 31.291 31.823 -0.092 0.000 0.849 264 V HN 0.496 nan 8.190 nan 0.000 0.475 265 N N 0.989 119.677 118.700 -0.020 0.000 2.084 265 N HA -0.169 4.571 4.740 0.000 0.000 0.190 265 N C 1.777 177.297 175.510 0.017 0.000 1.030 265 N CA 1.901 54.953 53.050 0.005 0.000 0.849 265 N CB -0.046 38.457 38.487 0.026 0.000 1.012 265 N HN 0.587 nan 8.380 nan 0.000 0.423 266 T N -1.658 112.920 114.554 0.041 0.000 3.194 266 T HA 0.071 4.421 4.350 0.000 0.000 0.251 266 T C 1.398 176.114 174.700 0.026 0.000 1.132 266 T CA 0.130 62.268 62.100 0.063 0.000 1.028 266 T CB 0.103 69.055 68.868 0.141 0.000 0.976 266 T HN 0.033 nan 8.240 nan 0.000 0.535 267 M N 0.617 120.204 119.600 -0.022 0.000 2.466 267 M HA 0.397 4.877 4.480 0.000 0.000 0.265 267 M C 2.150 178.427 176.300 -0.039 0.000 1.122 267 M CA 1.025 56.291 55.300 -0.058 0.000 1.157 267 M CB 0.121 32.642 32.600 -0.131 0.000 1.352 267 M HN 0.060 nan 8.290 nan 0.000 0.464 268 R N -0.552 119.931 120.500 -0.028 0.000 2.276 268 R HA 0.298 4.638 4.340 0.000 0.000 0.196 268 R C 0.868 177.166 176.300 -0.003 0.000 0.961 268 R CA 0.714 56.802 56.100 -0.019 0.000 1.024 268 R CB 0.106 30.395 30.300 -0.019 0.000 0.940 268 R HN 0.596 nan 8.270 nan 0.000 0.480 269 G N 1.117 109.921 108.800 0.007 0.000 2.148 269 G HA2 -0.211 3.749 3.960 0.000 0.000 0.203 269 G HA3 -0.211 3.749 3.960 0.000 0.000 0.203 269 G C 0.114 175.028 174.900 0.024 0.000 0.993 269 G CA -0.540 44.571 45.100 0.018 0.000 0.661 269 G HN 0.206 nan 8.290 nan 0.000 0.518 270 I N 1.915 122.498 120.570 0.022 0.000 2.256 270 I HA 0.384 4.554 4.170 0.000 0.000 0.294 270 I C 0.824 176.965 176.117 0.039 0.000 1.127 270 I CA -0.783 60.532 61.300 0.026 0.000 1.247 270 I CB 0.633 38.644 38.000 0.017 0.000 1.460 270 I HN 0.095 nan 8.210 nan 0.000 0.511 271 V N 4.691 124.632 119.914 0.046 0.000 3.814 271 V HA -0.242 3.878 4.120 0.000 0.000 0.480 271 V C 0.195 176.335 176.094 0.076 0.000 0.682 271 V CA 0.438 62.774 62.300 0.060 0.000 1.959 271 V CB -1.501 30.355 31.823 0.056 0.000 2.372 271 V HN 0.758 nan 8.190 nan 0.000 0.501 272 K N 3.969 124.419 120.400 0.083 0.000 2.368 272 K HA 0.689 5.009 4.320 0.000 0.000 0.282 272 K C -0.170 176.499 176.600 0.115 0.000 1.035 272 K CA -0.116 56.235 56.287 0.106 0.000 0.973 272 K CB 1.329 33.885 32.500 0.095 0.000 0.957 272 K HN 0.528 nan 8.250 nan 0.000 0.474 273 V N 0.645 120.652 119.914 0.156 0.000 3.159 273 V HA 0.867 4.987 4.120 0.000 0.000 0.308 273 V C -1.150 174.970 176.094 0.045 0.000 1.190 273 V CA -1.058 61.307 62.300 0.107 0.000 1.037 273 V CB 2.243 34.133 31.823 0.111 0.000 1.060 273 V HN 0.823 nan 8.190 nan 0.000 0.437 274 A N 1.329 124.016 122.820 -0.222 0.000 2.594 274 A HA 1.039 5.359 4.320 0.000 0.000 0.295 274 A C -0.908 176.373 177.584 -0.505 0.000 1.071 274 A CA -0.045 51.498 52.037 -0.823 0.000 0.685 274 A CB 1.961 20.600 19.000 -0.601 0.000 1.285 274 A HN 1.959 nan 8.150 nan 0.000 0.405 275 A N 0.154 122.615 122.820 -0.598 0.000 2.498 275 A HA 0.936 5.256 4.320 0.000 0.000 0.298 275 A C -0.668 176.865 177.584 -0.085 0.000 1.075 275 A CA -0.093 51.828 52.037 -0.194 0.000 0.714 275 A CB 1.571 20.534 19.000 -0.063 0.000 1.299 275 A HN 2.372 nan 8.150 nan 0.000 0.407 276 V N -1.437 118.487 119.914 0.017 0.000 3.048 276 V HA 0.555 4.675 4.120 0.000 0.000 0.303 276 V C -0.618 175.532 176.094 0.093 0.000 1.214 276 V CA -1.334 61.016 62.300 0.083 0.000 0.984 276 V CB 1.321 33.221 31.823 0.129 0.000 1.054 276 V HN 0.912 nan 8.190 nan 0.000 0.430 277 K N 2.206 122.661 120.400 0.092 0.000 2.469 277 K HA 0.507 4.827 4.320 0.000 0.000 0.274 277 K C 0.796 177.414 176.600 0.031 0.000 0.983 277 K CA 0.524 56.849 56.287 0.063 0.000 0.974 277 K CB 0.771 33.310 32.500 0.064 0.000 0.913 277 K HN 1.152 nan 8.250 nan 0.000 0.493 278 A N 4.259 127.066 122.820 -0.022 0.000 2.364 278 A HA 0.177 4.497 4.320 0.000 0.000 0.258 278 A C -2.018 175.466 177.584 -0.167 0.000 1.131 278 A CA -0.745 51.217 52.037 -0.126 0.000 0.800 278 A CB -0.490 18.455 19.000 -0.091 0.000 1.086 278 A HN 0.546 nan 8.150 nan 0.000 0.508 279 P HA 0.404 nan 4.420 nan 0.000 0.284 279 P C 0.697 177.961 177.300 -0.059 0.000 1.253 279 P CA 1.099 64.060 63.100 -0.232 0.000 0.800 279 P CB 0.867 32.326 31.700 -0.402 0.000 0.961 280 G N 2.771 111.597 108.800 0.043 0.000 2.581 280 G HA2 -0.169 3.791 3.960 0.000 0.000 0.291 280 G HA3 -0.169 3.791 3.960 0.000 0.000 0.291 280 G C -0.506 174.553 174.900 0.265 0.000 1.277 280 G CA 0.739 45.933 45.100 0.157 0.000 0.959 280 G HN 0.772 nan 8.290 nan 0.000 0.554 281 F N -3.445 116.504 119.950 -0.002 0.000 2.831 281 F HA 0.728 5.255 4.527 0.000 0.000 0.318 281 F C 0.934 176.740 175.800 0.010 0.000 1.174 281 F CA 0.381 58.383 58.000 0.003 0.000 0.918 281 F CB 0.707 39.715 39.000 0.013 0.000 1.364 281 F HN 2.444 nan 8.300 nan 0.000 0.475 282 G N 0.970 109.775 108.800 0.009 0.000 2.527 282 G HA2 -0.256 3.704 3.960 0.000 0.000 0.268 282 G HA3 -0.256 3.704 3.960 0.000 0.000 0.268 282 G C 0.159 175.001 174.900 -0.096 0.000 1.175 282 G CA 0.503 45.544 45.100 -0.099 0.000 0.962 282 G HN 0.910 nan 8.290 nan 0.000 0.560 283 D N 0.973 121.299 120.400 -0.124 0.000 2.271 283 D HA -0.010 4.630 4.640 0.000 0.000 0.206 283 D C 2.535 178.776 176.300 -0.098 0.000 0.967 283 D CA 1.170 55.120 54.000 -0.082 0.000 0.867 283 D CB -0.013 40.751 40.800 -0.061 0.000 0.960 283 D HN 0.633 nan 8.370 nan 0.000 0.509 284 R N 1.137 121.547 120.500 -0.150 0.000 2.276 284 R HA 0.065 4.405 4.340 0.000 0.000 0.203 284 R C 2.094 178.322 176.300 -0.120 0.000 1.017 284 R CA 0.357 56.375 56.100 -0.137 0.000 1.010 284 R CB -0.236 29.962 30.300 -0.170 0.000 0.900 284 R HN 0.002 nan 8.270 nan 0.000 0.469 285 R N 2.106 122.536 120.500 -0.116 0.000 2.066 285 R HA -0.060 4.280 4.340 0.000 0.000 0.232 285 R C 1.232 177.490 176.300 -0.069 0.000 1.131 285 R CA 1.530 57.583 56.100 -0.078 0.000 0.955 285 R CB -0.046 30.235 30.300 -0.031 0.000 0.851 285 R HN 0.225 nan 8.270 nan 0.000 0.432 286 K N -0.101 120.266 120.400 -0.056 0.000 2.442 286 K HA -0.020 4.300 4.320 0.000 0.000 0.198 286 K C 1.691 178.262 176.600 -0.049 0.000 1.042 286 K CA 0.903 57.163 56.287 -0.045 0.000 0.958 286 K CB 0.179 32.660 32.500 -0.032 0.000 0.766 286 K HN 0.269 nan 8.250 nan 0.000 0.474 287 A N 0.920 123.704 122.820 -0.059 0.000 1.909 287 A HA 0.061 4.381 4.320 0.000 0.000 0.209 287 A C 2.044 179.591 177.584 -0.063 0.000 1.247 287 A CA 0.253 52.257 52.037 -0.055 0.000 0.660 287 A CB -0.218 18.747 19.000 -0.057 0.000 0.910 287 A HN 0.047 nan 8.150 nan 0.000 0.465 288 M N -0.358 119.195 119.600 -0.079 0.000 2.082 288 M HA -0.186 4.294 4.480 0.000 0.000 0.258 288 M C 2.252 178.491 176.300 -0.102 0.000 1.069 288 M CA 1.864 57.110 55.300 -0.091 0.000 1.102 288 M CB -0.496 32.035 32.600 -0.115 0.000 1.336 288 M HN 0.535 nan 8.290 nan 0.000 0.404 289 L N 0.185 121.342 121.223 -0.111 0.000 2.127 289 L HA -0.281 4.059 4.340 0.000 0.000 0.211 289 L C 2.490 179.321 176.870 -0.065 0.000 1.089 289 L CA 1.566 56.341 54.840 -0.108 0.000 0.757 289 L CB -0.263 41.740 42.059 -0.092 0.000 0.899 289 L HN 0.316 nan 8.230 nan 0.000 0.434 290 Q N 0.059 119.829 119.800 -0.050 0.000 2.167 290 Q HA -0.215 4.125 4.340 0.000 0.000 0.202 290 Q C 1.670 177.656 176.000 -0.025 0.000 0.970 290 Q CA 2.013 57.797 55.803 -0.032 0.000 0.855 290 Q CB -0.185 28.536 28.738 -0.028 0.000 0.911 290 Q HN 0.544 nan 8.270 nan 0.000 0.438 291 D N 0.165 120.546 120.400 -0.030 0.000 2.084 291 D HA -0.160 4.480 4.640 0.000 0.000 0.194 291 D C 1.899 178.196 176.300 -0.005 0.000 0.990 291 D CA 1.422 55.412 54.000 -0.017 0.000 0.826 291 D CB -0.285 40.503 40.800 -0.019 0.000 0.971 291 D HN 0.360 nan 8.370 nan 0.000 0.453 292 I N 1.340 121.904 120.570 -0.011 0.000 2.300 292 I HA -0.319 3.851 4.170 0.000 0.000 0.252 292 I C 2.445 178.573 176.117 0.019 0.000 1.119 292 I CA 1.064 62.372 61.300 0.014 0.000 1.384 292 I CB -0.211 37.787 38.000 -0.004 0.000 1.062 292 I HN -0.057 nan 8.210 nan 0.000 0.426 293 A N 0.447 123.271 122.820 0.005 0.000 1.855 293 A HA -0.184 4.136 4.320 0.000 0.000 0.215 293 A C 2.378 179.971 177.584 0.015 0.000 1.191 293 A CA 2.346 54.390 52.037 0.012 0.000 0.613 293 A CB -1.106 17.896 19.000 0.003 0.000 0.829 293 A HN 0.365 nan 8.150 nan 0.000 0.442 294 T N 0.732 115.290 114.554 0.008 0.000 2.720 294 T HA -0.134 4.216 4.350 0.000 0.000 0.268 294 T C 1.827 176.534 174.700 0.013 0.000 1.037 294 T CA 1.289 63.394 62.100 0.008 0.000 1.144 294 T CB -0.354 68.516 68.868 0.003 0.000 0.864 294 T HN 0.296 nan 8.240 nan 0.000 0.444 295 L N 2.165 123.397 121.223 0.015 0.000 2.131 295 L HA -0.054 4.286 4.340 0.000 0.000 0.210 295 L C 1.835 178.718 176.870 0.023 0.000 1.092 295 L CA 2.161 57.013 54.840 0.020 0.000 0.759 295 L CB -1.229 40.847 42.059 0.028 0.000 0.903 295 L HN 0.459 nan 8.230 nan 0.000 0.435 296 T N -3.814 110.757 114.554 0.028 0.000 3.266 296 T HA 0.367 4.717 4.350 0.000 0.000 0.278 296 T C 1.032 175.753 174.700 0.035 0.000 1.010 296 T CA 0.128 62.247 62.100 0.032 0.000 0.909 296 T CB -0.304 68.590 68.868 0.043 0.000 1.122 296 T HN 0.515 nan 8.240 nan 0.000 0.536 297 G N 0.196 109.013 108.800 0.029 0.000 2.393 297 G HA2 0.140 4.100 3.960 0.000 0.000 0.299 297 G HA3 0.140 4.100 3.960 0.000 0.000 0.299 297 G C 0.380 175.305 174.900 0.041 0.000 0.990 297 G CA 0.007 45.125 45.100 0.031 0.000 1.118 297 G HN 1.143 nan 8.290 nan 0.000 0.513 298 G N -1.559 107.263 108.800 0.036 0.000 3.135 298 G HA2 0.923 4.883 3.960 0.000 0.000 0.278 298 G HA3 0.923 4.883 3.960 0.000 0.000 0.278 298 G C -0.664 174.249 174.900 0.023 0.000 1.302 298 G CA 0.306 45.429 45.100 0.038 0.000 0.880 298 G HN 0.836 nan 8.290 nan 0.000 0.574 299 T N -0.445 114.120 114.554 0.019 0.000 2.916 299 T HA 0.523 4.873 4.350 0.000 0.000 0.305 299 T C -0.623 174.081 174.700 0.005 0.000 1.119 299 T CA -0.367 61.738 62.100 0.009 0.000 1.008 299 T CB 1.966 70.837 68.868 0.006 0.000 1.129 299 T HN 0.424 nan 8.240 nan 0.000 0.480 300 V N 2.847 122.761 119.914 -0.000 0.000 2.583 300 V HA 0.386 4.506 4.120 0.000 0.000 0.287 300 V C 0.009 176.101 176.094 -0.003 0.000 1.051 300 V CA -0.440 61.858 62.300 -0.004 0.000 1.010 300 V CB 0.679 32.496 31.823 -0.010 0.000 0.988 300 V HN 0.723 nan 8.190 nan 0.000 0.478 301 I N 5.028 125.596 120.570 -0.003 0.000 2.412 301 I HA 0.328 4.498 4.170 0.000 0.000 0.279 301 I C 0.300 176.416 176.117 -0.002 0.000 1.063 301 I CA 0.061 61.359 61.300 -0.002 0.000 1.193 301 I CB 0.919 38.919 38.000 -0.001 0.000 1.370 301 I HN 0.725 nan 8.210 nan 0.000 0.479 302 S N 2.693 118.392 115.700 -0.003 0.000 2.621 302 S HA 0.455 4.925 4.470 0.000 0.000 0.302 302 S C 0.458 175.058 174.600 -0.000 0.000 1.093 302 S CA -0.829 57.369 58.200 -0.002 0.000 1.017 302 S CB 2.152 65.349 63.200 -0.004 0.000 1.077 302 S HN 0.552 nan 8.310 nan 0.000 0.517 303 E N 0.335 120.536 120.200 0.001 0.000 2.442 303 E HA -0.016 4.334 4.350 0.000 0.000 0.195 303 E C 1.068 177.669 176.600 0.001 0.000 1.030 303 E CA 0.317 56.718 56.400 0.002 0.000 0.869 303 E CB -0.025 29.678 29.700 0.004 0.000 0.857 303 E HN 0.746 nan 8.360 nan 0.000 0.505 304 E N 0.457 120.657 120.200 0.000 0.000 2.338 304 E HA -0.092 4.258 4.350 0.000 0.000 0.197 304 E C 1.415 178.015 176.600 -0.001 0.000 1.007 304 E CA 0.687 57.087 56.400 -0.000 0.000 0.849 304 E CB 0.152 29.851 29.700 -0.001 0.000 0.774 304 E HN 0.342 nan 8.360 nan 0.000 0.506 305 I N -0.934 119.635 120.570 -0.001 0.000 4.154 305 I HA 0.192 4.362 4.170 0.000 0.000 0.334 305 I C 0.876 176.993 176.117 -0.001 0.000 1.371 305 I CA 0.025 61.324 61.300 -0.002 0.000 1.110 305 I CB 0.999 38.997 38.000 -0.002 0.000 1.085 305 I HN 0.095 nan 8.210 nan 0.000 0.398 306 G N 2.173 110.973 108.800 -0.001 0.000 2.165 306 G HA2 -0.228 3.732 3.960 0.000 0.000 0.226 306 G HA3 -0.228 3.732 3.960 0.000 0.000 0.226 306 G C -0.017 174.882 174.900 -0.001 0.000 1.035 306 G CA -0.334 44.766 45.100 -0.000 0.000 0.744 306 G HN 0.240 nan 8.290 nan 0.000 0.501 307 M N 0.285 119.885 119.600 -0.001 0.000 2.300 307 M HA 0.519 4.999 4.480 0.000 0.000 0.348 307 M C 0.206 176.505 176.300 -0.001 0.000 1.151 307 M CA -0.223 55.076 55.300 -0.002 0.000 1.046 307 M CB 1.478 34.076 32.600 -0.002 0.000 1.647 307 M HN 0.219 nan 8.290 nan 0.000 0.451 308 E N 2.083 122.282 120.200 -0.002 0.000 2.227 308 E HA 0.325 4.675 4.350 0.000 0.000 0.268 308 E C 0.213 176.811 176.600 -0.003 0.000 0.907 308 E CA -0.552 55.847 56.400 -0.002 0.000 0.786 308 E CB 2.227 31.926 29.700 -0.001 0.000 1.191 308 E HN 0.684 nan 8.360 nan 0.000 0.411 309 L N 1.641 122.863 121.223 -0.002 0.000 2.456 309 L HA -0.145 4.195 4.340 0.000 0.000 0.224 309 L C 1.427 178.293 176.870 -0.008 0.000 1.148 309 L CA 0.907 55.744 54.840 -0.004 0.000 0.825 309 L CB -0.203 41.856 42.059 0.001 0.000 0.937 309 L HN 0.520 nan 8.230 nan 0.000 0.450 310 E N 0.336 120.532 120.200 -0.006 0.000 2.170 310 E HA -0.056 4.294 4.350 0.000 0.000 0.191 310 E C 0.641 177.234 176.600 -0.012 0.000 0.981 310 E CA 0.795 57.190 56.400 -0.008 0.000 0.830 310 E CB 0.129 29.825 29.700 -0.005 0.000 0.775 310 E HN 0.258 nan 8.360 nan 0.000 0.470 311 K N 0.735 121.129 120.400 -0.011 0.000 2.765 311 K HA 0.523 4.843 4.320 0.000 0.000 0.246 311 K C -0.922 175.669 176.600 -0.015 0.000 1.254 311 K CA -0.236 56.044 56.287 -0.012 0.000 1.219 311 K CB 0.957 33.452 32.500 -0.008 0.000 1.747 311 K HN -0.053 nan 8.250 nan 0.000 0.372 312 A N 1.126 123.933 122.820 -0.021 0.000 2.442 312 A HA 0.352 4.672 4.320 0.000 0.000 0.284 312 A C 0.227 177.785 177.584 -0.043 0.000 1.058 312 A CA -0.759 51.261 52.037 -0.027 0.000 0.738 312 A CB 0.729 19.714 19.000 -0.025 0.000 1.242 312 A HN 0.377 nan 8.150 nan 0.000 0.421 313 T N 0.079 114.606 114.554 -0.045 0.000 3.018 313 T HA 0.474 4.824 4.350 0.000 0.000 0.338 313 T C 1.082 175.720 174.700 -0.103 0.000 1.208 313 T CA -0.151 61.910 62.100 -0.064 0.000 0.963 313 T CB 0.035 68.875 68.868 -0.046 0.000 1.697 313 T HN 0.380 nan 8.240 nan 0.000 0.560 314 L N -0.015 121.130 121.223 -0.131 0.000 2.567 314 L HA 0.267 4.607 4.340 0.000 0.000 0.225 314 L C 2.763 179.577 176.870 -0.093 0.000 1.119 314 L CA 0.499 55.204 54.840 -0.225 0.000 0.871 314 L CB -0.357 41.518 42.059 -0.306 0.000 1.036 314 L HN 0.795 nan 8.230 nan 0.000 0.459 315 E N 0.529 120.708 120.200 -0.035 0.000 2.122 315 E HA -0.166 4.184 4.350 0.000 0.000 0.190 315 E C 0.952 177.563 176.600 0.019 0.000 0.977 315 E CA 0.745 57.152 56.400 0.012 0.000 0.820 315 E CB 0.333 30.037 29.700 0.007 0.000 0.770 315 E HN 0.395 nan 8.360 nan 0.000 0.462 316 D N 0.393 120.792 120.400 -0.001 0.000 2.363 316 D HA -0.007 4.633 4.640 0.000 0.000 0.226 316 D C -0.192 176.118 176.300 0.018 0.000 1.020 316 D CA 0.313 54.316 54.000 0.006 0.000 0.892 316 D CB 0.236 41.032 40.800 -0.006 0.000 0.900 316 D HN 0.118 nan 8.370 nan 0.000 0.531 317 L N 0.362 121.602 121.223 0.029 0.000 2.357 317 L HA 0.391 4.731 4.340 0.000 0.000 0.273 317 L C 1.292 178.244 176.870 0.137 0.000 1.080 317 L CA -0.495 54.388 54.840 0.072 0.000 0.803 317 L CB 1.405 43.492 42.059 0.047 0.000 1.174 317 L HN -0.176 nan 8.230 nan 0.000 0.443 318 G N 1.106 109.983 108.800 0.128 0.000 2.599 318 G HA2 0.486 4.446 3.960 0.000 0.000 0.264 318 G HA3 0.486 4.446 3.960 0.000 0.000 0.264 318 G C -1.002 173.984 174.900 0.144 0.000 1.200 318 G CA -0.169 44.998 45.100 0.111 0.000 0.896 318 G HN 0.600 nan 8.290 nan 0.000 0.536 319 Q N -1.015 118.828 119.800 0.071 0.000 2.403 319 Q HA 0.552 4.892 4.340 0.000 0.000 0.267 319 Q C -1.125 174.856 176.000 -0.032 0.000 0.991 319 Q CA -0.718 55.082 55.803 -0.006 0.000 0.906 319 Q CB 1.815 30.528 28.738 -0.042 0.000 1.422 319 Q HN 0.979 nan 8.270 nan 0.000 0.400 320 A N 2.545 125.328 122.820 -0.062 0.000 2.524 320 A HA 0.602 4.922 4.320 0.000 0.000 0.286 320 A C -0.833 176.708 177.584 -0.071 0.000 1.203 320 A CA -0.643 51.365 52.037 -0.048 0.000 0.736 320 A CB 1.584 20.571 19.000 -0.023 0.000 1.322 320 A HN 0.752 nan 8.150 nan 0.000 0.424 321 K N -0.521 119.848 120.400 -0.052 0.000 2.387 321 K HA 0.314 4.634 4.320 0.000 0.000 0.198 321 K C -0.027 176.546 176.600 -0.044 0.000 1.022 321 K CA 0.333 56.588 56.287 -0.054 0.000 1.128 321 K CB 0.364 32.839 32.500 -0.041 0.000 0.853 321 K HN 0.513 nan 8.250 nan 0.000 0.523 322 R N -0.013 120.462 120.500 -0.040 0.000 4.584 322 R HA 0.038 4.378 4.340 0.000 0.000 0.251 322 R C -2.183 174.099 176.300 -0.030 0.000 0.957 322 R CA -0.482 55.599 56.100 -0.032 0.000 1.195 322 R CB 0.746 31.030 30.300 -0.027 0.000 1.233 322 R HN -0.014 nan 8.270 nan 0.000 0.630 323 V N 0.225 120.122 119.914 -0.028 0.000 2.932 323 V HA 0.887 5.007 4.120 0.000 0.000 0.307 323 V C -1.229 174.845 176.094 -0.033 0.000 1.147 323 V CA -0.720 61.558 62.300 -0.036 0.000 0.951 323 V CB 2.197 34.002 31.823 -0.031 0.000 1.031 323 V HN 0.426 nan 8.190 nan 0.000 0.426 324 V N 4.542 124.425 119.914 -0.052 0.000 2.914 324 V HA 0.702 4.822 4.120 0.000 0.000 0.314 324 V C -0.371 175.685 176.094 -0.064 0.000 1.084 324 V CA -0.503 61.774 62.300 -0.038 0.000 0.963 324 V CB 1.980 33.782 31.823 -0.035 0.000 1.025 324 V HN 1.082 nan 8.190 nan 0.000 0.432 325 I N 0.164 120.720 120.570 -0.024 0.000 2.576 325 I HA 0.508 4.678 4.170 0.000 0.000 0.279 325 I C -0.143 175.967 176.117 -0.010 0.000 1.114 325 I CA -0.583 60.693 61.300 -0.041 0.000 1.076 325 I CB 1.200 39.194 38.000 -0.010 0.000 1.212 325 I HN 0.432 nan 8.210 nan 0.000 0.472 326 N N 4.612 123.257 118.700 -0.091 0.000 2.255 326 N HA 0.017 4.757 4.740 0.000 0.000 0.260 326 N C 1.041 176.282 175.510 -0.450 0.000 1.288 326 N CA -0.083 52.891 53.050 -0.127 0.000 0.894 326 N CB 0.757 39.181 38.487 -0.104 0.000 1.033 326 N HN 0.680 nan 8.380 nan 0.000 0.477 327 K N 0.356 120.479 120.400 -0.461 0.000 2.148 327 K HA -0.158 4.162 4.320 0.000 0.000 0.204 327 K C -0.322 175.903 176.600 -0.625 0.000 1.050 327 K CA 1.812 57.625 56.287 -0.789 0.000 0.942 327 K CB 0.003 32.355 32.500 -0.247 0.000 0.724 327 K HN 0.613 nan 8.250 nan 0.000 0.446 328 D N -1.118 119.084 120.400 -0.330 0.000 2.822 328 D HA 0.102 4.742 4.640 0.000 0.000 0.327 328 D C -1.141 175.082 176.300 -0.128 0.000 1.577 328 D CA -0.486 53.400 54.000 -0.190 0.000 0.785 328 D CB 0.851 41.587 40.800 -0.106 0.000 1.199 328 D HN -0.156 nan 8.370 nan 0.000 0.443 329 T N -0.120 114.335 114.554 -0.165 0.000 3.293 329 T HA 0.466 4.816 4.350 0.000 0.000 0.320 329 T C -0.429 174.143 174.700 -0.214 0.000 0.995 329 T CA -0.454 61.555 62.100 -0.151 0.000 1.041 329 T CB 1.938 70.738 68.868 -0.114 0.000 1.058 329 T HN -0.050 nan 8.240 nan 0.000 0.453 330 T N 1.740 116.081 114.554 -0.356 0.000 2.884 330 T HA 0.822 5.172 4.350 0.000 0.000 0.277 330 T C -0.061 174.324 174.700 -0.524 0.000 0.976 330 T CA -0.576 61.223 62.100 -0.501 0.000 0.956 330 T CB 1.490 69.826 68.868 -0.886 0.000 1.113 330 T HN 0.720 nan 8.240 nan 0.000 0.554 331 T N 0.876 115.163 114.554 -0.445 0.000 4.349 331 T HA 0.308 4.658 4.350 0.000 0.000 0.404 331 T C -1.587 173.010 174.700 -0.171 0.000 0.993 331 T CA -0.597 61.329 62.100 -0.290 0.000 1.025 331 T CB -0.203 68.554 68.868 -0.184 0.000 1.219 331 T HN 0.456 nan 8.240 nan 0.000 0.451 332 I N 5.763 126.264 120.570 -0.116 0.000 2.353 332 I HA 0.519 4.689 4.170 0.000 0.000 0.293 332 I C 0.011 176.110 176.117 -0.030 0.000 0.992 332 I CA -0.958 60.317 61.300 -0.041 0.000 1.268 332 I CB 1.434 39.447 38.000 0.022 0.000 1.387 332 I HN 0.565 nan 8.210 nan 0.000 0.478 333 I N 5.381 125.935 120.570 -0.027 0.000 2.389 333 I HA 0.216 4.386 4.170 0.000 0.000 0.288 333 I C -0.671 175.435 176.117 -0.019 0.000 0.999 333 I CA -0.531 60.755 61.300 -0.024 0.000 1.129 333 I CB 1.436 39.419 38.000 -0.028 0.000 1.288 333 I HN 0.610 nan 8.210 nan 0.000 0.444 334 D N 4.659 125.051 120.400 -0.014 0.000 4.597 334 D HA -0.117 4.523 4.640 0.000 0.000 0.234 334 D C -0.209 176.084 176.300 -0.012 0.000 1.052 334 D CA 1.191 55.183 54.000 -0.012 0.000 1.265 334 D CB 0.187 40.977 40.800 -0.017 0.000 0.738 334 D HN 0.813 nan 8.370 nan 0.000 0.372 335 G N 1.651 110.449 108.800 -0.005 0.000 2.454 335 G HA2 0.503 4.463 3.960 0.000 0.000 0.329 335 G HA3 0.503 4.463 3.960 0.000 0.000 0.329 335 G C 1.177 176.075 174.900 -0.002 0.000 1.177 335 G CA -0.418 44.681 45.100 -0.001 0.000 0.951 335 G HN 0.457 nan 8.290 nan 0.000 0.485 336 V N 1.201 121.114 119.914 -0.001 0.000 2.720 336 V HA -0.003 4.117 4.120 0.000 0.000 0.256 336 V C 2.168 178.267 176.094 0.008 0.000 1.082 336 V CA 1.102 63.403 62.300 0.002 0.000 1.101 336 V CB -1.246 30.581 31.823 0.007 0.000 0.693 336 V HN 0.844 nan 8.190 nan 0.000 0.479 337 G N 1.224 110.031 108.800 0.011 0.000 2.187 337 G HA2 -0.028 3.932 3.960 0.000 0.000 0.239 337 G HA3 -0.028 3.932 3.960 0.000 0.000 0.239 337 G C -0.070 174.835 174.900 0.007 0.000 1.200 337 G CA -0.087 45.019 45.100 0.011 0.000 0.888 337 G HN 0.580 nan 8.290 nan 0.000 0.482 338 E N 1.855 122.059 120.200 0.007 0.000 2.331 338 E HA 0.066 4.416 4.350 0.000 0.000 0.272 338 E C 0.668 177.270 176.600 0.004 0.000 1.036 338 E CA -0.231 56.172 56.400 0.005 0.000 0.864 338 E CB 1.340 31.043 29.700 0.005 0.000 1.035 338 E HN 0.654 nan 8.360 nan 0.000 0.408 339 E N 1.377 121.578 120.200 0.002 0.000 2.527 339 E HA -0.163 4.187 4.350 0.000 0.000 0.204 339 E C 0.960 177.560 176.600 0.001 0.000 1.132 339 E CA 0.213 56.614 56.400 0.001 0.000 0.905 339 E CB -0.005 29.696 29.700 0.000 0.000 0.875 339 E HN 0.501 nan 8.360 nan 0.000 0.548 340 A N 1.198 124.019 122.820 0.002 0.000 1.884 340 A HA 0.230 4.550 4.320 0.000 0.000 0.212 340 A C 2.292 179.876 177.584 0.001 0.000 1.265 340 A CA 0.742 52.780 52.037 0.001 0.000 0.626 340 A CB -0.422 18.579 19.000 0.002 0.000 0.943 340 A HN 0.280 nan 8.150 nan 0.000 0.466 341 A N -0.490 122.332 122.820 0.002 0.000 2.121 341 A HA 0.107 4.427 4.320 0.000 0.000 0.218 341 A C 1.953 179.537 177.584 0.001 0.000 1.154 341 A CA 1.166 53.204 52.037 0.002 0.000 0.679 341 A CB -0.562 18.440 19.000 0.003 0.000 0.795 341 A HN 0.495 nan 8.150 nan 0.000 0.458 342 I N -1.639 118.932 120.570 0.001 0.000 2.339 342 I HA -0.136 4.034 4.170 0.000 0.000 0.245 342 I C 2.547 178.663 176.117 -0.001 0.000 1.096 342 I CA 1.176 62.477 61.300 0.001 0.000 1.408 342 I CB -0.167 37.835 38.000 0.003 0.000 1.092 342 I HN 0.296 nan 8.210 nan 0.000 0.423 343 Q N 1.264 121.063 119.800 -0.001 0.000 2.291 343 Q HA -0.074 4.266 4.340 0.000 0.000 0.205 343 Q C 1.866 177.864 176.000 -0.003 0.000 0.970 343 Q CA 1.577 57.379 55.803 -0.002 0.000 0.876 343 Q CB -0.310 28.427 28.738 -0.002 0.000 0.935 343 Q HN 0.473 nan 8.270 nan 0.000 0.455 344 G N -0.576 108.223 108.800 -0.003 0.000 2.459 344 G HA2 -0.182 3.778 3.960 0.000 0.000 0.213 344 G HA3 -0.182 3.778 3.960 0.000 0.000 0.213 344 G C 1.521 176.418 174.900 -0.005 0.000 1.155 344 G CA 0.402 45.500 45.100 -0.003 0.000 0.811 344 G HN 0.280 nan 8.290 nan 0.000 0.534 345 R N 0.517 121.014 120.500 -0.005 0.000 2.115 345 R HA 0.035 4.375 4.340 0.000 0.000 0.230 345 R C 2.367 178.662 176.300 -0.009 0.000 1.111 345 R CA 1.212 57.308 56.100 -0.007 0.000 0.976 345 R CB -0.701 29.595 30.300 -0.006 0.000 0.870 345 R HN 0.206 nan 8.270 nan 0.000 0.445 346 V N 0.576 120.485 119.914 -0.007 0.000 2.427 346 V HA -0.138 3.982 4.120 0.000 0.000 0.248 346 V C 2.324 178.412 176.094 -0.009 0.000 1.051 346 V CA 1.772 64.067 62.300 -0.008 0.000 1.048 346 V CB -0.856 30.963 31.823 -0.006 0.000 0.666 346 V HN 0.509 nan 8.190 nan 0.000 0.456 347 A N -0.699 122.117 122.820 -0.008 0.000 1.933 347 A HA -0.270 4.050 4.320 0.000 0.000 0.218 347 A C 2.191 179.770 177.584 -0.009 0.000 1.175 347 A CA 1.815 53.847 52.037 -0.008 0.000 0.628 347 A CB -0.428 18.568 19.000 -0.006 0.000 0.814 347 A HN 0.622 nan 8.150 nan 0.000 0.444 348 Q N -0.637 119.157 119.800 -0.010 0.000 2.119 348 Q HA -0.048 4.292 4.340 0.000 0.000 0.201 348 Q C 1.916 177.908 176.000 -0.014 0.000 0.972 348 Q CA 1.454 57.250 55.803 -0.011 0.000 0.847 348 Q CB -0.241 28.490 28.738 -0.011 0.000 0.903 348 Q HN 0.755 nan 8.270 nan 0.000 0.433 349 I N -0.159 120.402 120.570 -0.015 0.000 2.617 349 I HA -0.151 4.019 4.170 0.000 0.000 0.256 349 I C 2.364 178.470 176.117 -0.018 0.000 1.167 349 I CA 0.494 61.782 61.300 -0.019 0.000 1.469 349 I CB -0.102 37.885 38.000 -0.022 0.000 1.098 349 I HN 0.070 nan 8.210 nan 0.000 0.436 350 R N 0.901 121.392 120.500 -0.015 0.000 2.152 350 R HA -0.148 4.192 4.340 0.000 0.000 0.232 350 R C 2.199 178.492 176.300 -0.013 0.000 1.117 350 R CA 1.305 57.397 56.100 -0.013 0.000 0.981 350 R CB 0.024 30.318 30.300 -0.010 0.000 0.870 350 R HN 0.402 nan 8.270 nan 0.000 0.451 351 Q N -0.857 118.935 119.800 -0.012 0.000 2.250 351 Q HA -0.051 4.289 4.340 0.000 0.000 0.200 351 Q C 1.743 177.736 176.000 -0.012 0.000 0.941 351 Q CA 0.501 56.298 55.803 -0.011 0.000 0.872 351 Q CB 0.397 29.130 28.738 -0.009 0.000 0.965 351 Q HN 0.371 nan 8.270 nan 0.000 0.480 352 Q N 0.394 120.185 119.800 -0.015 0.000 2.248 352 Q HA -0.168 4.172 4.340 0.000 0.000 0.208 352 Q C 1.911 177.900 176.000 -0.018 0.000 0.984 352 Q CA 1.121 56.914 55.803 -0.018 0.000 0.875 352 Q CB -0.150 28.573 28.738 -0.024 0.000 0.910 352 Q HN 0.506 nan 8.270 nan 0.000 0.433 353 I N 0.702 121.261 120.570 -0.018 0.000 2.617 353 I HA -0.173 3.997 4.170 0.000 0.000 0.256 353 I C 1.996 178.107 176.117 -0.012 0.000 1.167 353 I CA 0.606 61.896 61.300 -0.017 0.000 1.469 353 I CB -0.181 37.808 38.000 -0.018 0.000 1.098 353 I HN 0.072 nan 8.210 nan 0.000 0.436 354 E N 1.474 121.668 120.200 -0.010 0.000 2.072 354 E HA -0.154 4.196 4.350 0.000 0.000 0.190 354 E C 1.167 177.763 176.600 -0.005 0.000 0.982 354 E CA 1.018 57.414 56.400 -0.007 0.000 0.803 354 E CB -0.286 29.410 29.700 -0.006 0.000 0.755 354 E HN 0.580 nan 8.360 nan 0.000 0.453 355 E N 1.140 121.336 120.200 -0.006 0.000 2.301 355 E HA 0.253 4.603 4.350 0.000 0.000 0.195 355 E C -0.238 176.360 176.600 -0.003 0.000 1.171 355 E CA -0.308 56.089 56.400 -0.004 0.000 1.142 355 E CB 0.233 29.930 29.700 -0.005 0.000 1.218 355 E HN 0.076 nan 8.360 nan 0.000 0.448 356 A N 1.244 124.062 122.820 -0.003 0.000 2.409 356 A HA 0.148 4.468 4.320 0.000 0.000 0.267 356 A C 1.258 178.844 177.584 0.005 0.000 1.127 356 A CA -0.192 51.845 52.037 -0.001 0.000 0.795 356 A CB 0.148 19.146 19.000 -0.003 0.000 1.061 356 A HN 0.282 nan 8.150 nan 0.000 0.502 357 T N -0.906 113.654 114.554 0.010 0.000 3.001 357 T HA 0.364 4.714 4.350 0.000 0.000 0.251 357 T C 0.646 175.358 174.700 0.021 0.000 1.040 357 T CA 0.589 62.696 62.100 0.013 0.000 0.985 357 T CB -0.050 68.825 68.868 0.012 0.000 1.011 357 T HN 0.787 nan 8.240 nan 0.000 0.509 358 S N -0.768 114.950 115.700 0.030 0.000 2.618 358 S HA 0.414 4.884 4.470 0.000 0.000 0.277 358 S C -0.397 174.235 174.600 0.053 0.000 1.138 358 S CA -0.578 57.649 58.200 0.046 0.000 0.844 358 S CB 1.695 64.935 63.200 0.067 0.000 1.127 358 S HN 0.059 nan 8.310 nan 0.000 0.474 359 D N 0.614 121.054 120.400 0.068 0.000 2.183 359 D HA -0.026 4.614 4.640 0.000 0.000 0.203 359 D C 1.203 177.562 176.300 0.098 0.000 0.969 359 D CA 1.126 55.166 54.000 0.067 0.000 0.842 359 D CB -0.124 40.715 40.800 0.066 0.000 0.957 359 D HN 0.579 nan 8.370 nan 0.000 0.484 360 Y N 2.155 122.453 120.300 -0.005 0.000 2.092 360 Y HA -0.191 4.359 4.550 0.000 0.000 0.282 360 Y C 1.681 177.573 175.900 -0.013 0.000 1.126 360 Y CA 1.743 59.840 58.100 -0.007 0.000 1.111 360 Y CB -0.475 37.981 38.460 -0.006 0.000 0.987 360 Y HN -0.166 nan 8.280 nan 0.000 0.489 361 D N -0.430 120.019 120.400 0.081 0.000 2.220 361 D HA -0.240 4.400 4.640 0.000 0.000 0.198 361 D C 2.228 178.482 176.300 -0.078 0.000 1.001 361 D CA 1.702 55.688 54.000 -0.023 0.000 0.875 361 D CB -0.201 40.615 40.800 0.027 0.000 0.921 361 D HN 0.293 nan 8.370 nan 0.000 0.454 362 R N 0.391 120.861 120.500 -0.050 0.000 2.056 362 R HA -0.120 4.220 4.340 0.000 0.000 0.227 362 R C 1.960 178.208 176.300 -0.087 0.000 1.149 362 R CA 1.098 57.167 56.100 -0.051 0.000 0.937 362 R CB 0.073 30.361 30.300 -0.020 0.000 0.835 362 R HN 0.060 nan 8.270 nan 0.000 0.430 363 E N 1.174 121.310 120.200 -0.105 0.000 2.045 363 E HA -0.252 4.098 4.350 0.000 0.000 0.212 363 E C 1.663 178.166 176.600 -0.162 0.000 1.039 363 E CA 1.420 57.745 56.400 -0.125 0.000 0.860 363 E CB -0.338 29.274 29.700 -0.146 0.000 0.776 363 E HN 0.214 nan 8.360 nan 0.000 0.467 364 K N 0.606 120.841 120.400 -0.274 0.000 2.589 364 K HA -0.062 4.258 4.320 0.000 0.000 0.195 364 K C 2.037 178.547 176.600 -0.151 0.000 1.040 364 K CA 0.481 56.620 56.287 -0.245 0.000 0.950 364 K CB -0.259 32.020 32.500 -0.368 0.000 0.781 364 K HN 0.269 nan 8.250 nan 0.000 0.486 365 L N -0.645 120.507 121.223 -0.119 0.000 2.425 365 L HA 0.024 4.364 4.340 0.000 0.000 0.215 365 L C 2.052 178.887 176.870 -0.058 0.000 1.065 365 L CA 0.255 55.048 54.840 -0.079 0.000 0.842 365 L CB -0.066 41.954 42.059 -0.066 0.000 1.033 365 L HN 0.099 nan 8.230 nan 0.000 0.474 366 Q N 0.085 119.851 119.800 -0.057 0.000 2.297 366 Q HA -0.142 4.198 4.340 0.000 0.000 0.204 366 Q C 1.675 177.653 176.000 -0.036 0.000 0.962 366 Q CA 0.971 56.750 55.803 -0.040 0.000 0.879 366 Q CB 0.225 28.941 28.738 -0.035 0.000 0.947 366 Q HN 0.499 nan 8.270 nan 0.000 0.462 367 E N 0.504 120.675 120.200 -0.048 0.000 2.051 367 E HA -0.072 4.278 4.350 0.000 0.000 0.189 367 E C 2.013 178.596 176.600 -0.028 0.000 0.979 367 E CA 0.280 56.658 56.400 -0.036 0.000 0.803 367 E CB 0.114 29.786 29.700 -0.046 0.000 0.761 367 E HN 0.177 nan 8.360 nan 0.000 0.451 368 R N 0.720 121.196 120.500 -0.039 0.000 2.105 368 R HA -0.148 4.192 4.340 0.000 0.000 0.239 368 R C 2.564 178.853 176.300 -0.019 0.000 1.135 368 R CA 1.623 57.704 56.100 -0.031 0.000 0.967 368 R CB -0.366 29.908 30.300 -0.044 0.000 0.861 368 R HN 0.204 nan 8.270 nan 0.000 0.442 369 V N -2.461 117.440 119.914 -0.021 0.000 2.302 369 V HA -0.024 4.096 4.120 0.000 0.000 0.243 369 V C 2.351 178.440 176.094 -0.009 0.000 1.036 369 V CA 1.446 63.737 62.300 -0.015 0.000 1.020 369 V CB -1.252 30.561 31.823 -0.017 0.000 0.657 369 V HN 0.211 nan 8.190 nan 0.000 0.453 370 A N 1.059 123.872 122.820 -0.010 0.000 1.859 370 A HA -0.326 3.994 4.320 0.000 0.000 0.218 370 A C 2.319 179.903 177.584 -0.001 0.000 1.209 370 A CA 2.953 54.986 52.037 -0.007 0.000 0.639 370 A CB -0.944 18.051 19.000 -0.008 0.000 0.835 370 A HN 0.628 nan 8.150 nan 0.000 0.450 371 K N -1.376 119.027 120.400 0.005 0.000 2.160 371 K HA -0.129 4.191 4.320 0.000 0.000 0.206 371 K C 1.728 178.338 176.600 0.017 0.000 1.047 371 K CA 1.442 57.739 56.287 0.016 0.000 0.930 371 K CB -0.249 32.271 32.500 0.033 0.000 0.720 371 K HN 0.406 nan 8.250 nan 0.000 0.450 372 L N -0.762 120.467 121.223 0.010 0.000 2.477 372 L HA 0.114 4.454 4.340 0.000 0.000 0.220 372 L C 1.709 178.581 176.870 0.004 0.000 1.106 372 L CA 0.780 55.626 54.840 0.009 0.000 0.851 372 L CB 0.247 42.309 42.059 0.005 0.000 0.994 372 L HN 0.029 nan 8.230 nan 0.000 0.462 373 A N -1.312 121.508 122.820 0.000 0.000 1.963 373 A HA 0.342 4.662 4.320 0.000 0.000 0.207 373 A C 1.826 179.409 177.584 -0.002 0.000 1.243 373 A CA 0.517 52.553 52.037 -0.002 0.000 0.728 373 A CB -0.684 18.313 19.000 -0.004 0.000 0.895 373 A HN 0.320 nan 8.150 nan 0.000 0.467 374 G N 0.253 109.051 108.800 -0.003 0.000 3.474 374 G HA2 0.417 4.377 3.960 0.000 0.000 0.269 374 G HA3 0.417 4.377 3.960 0.000 0.000 0.269 374 G C 1.048 175.945 174.900 -0.005 0.000 1.339 374 G CA 0.622 45.719 45.100 -0.005 0.000 1.258 374 G HN 0.793 nan 8.290 nan 0.000 0.560 375 G N 0.178 108.976 108.800 -0.003 0.000 2.998 375 G HA2 -0.223 3.737 3.960 0.000 0.000 0.855 375 G HA3 -0.223 3.737 3.960 0.000 0.000 0.855 375 G C 0.138 175.033 174.900 -0.008 0.000 1.032 375 G CA 1.076 46.174 45.100 -0.003 0.000 0.804 375 G HN 0.957 nan 8.290 nan 0.000 0.970 376 V N -0.632 119.275 119.914 -0.012 0.000 2.971 376 V HA 0.708 4.828 4.120 0.000 0.000 0.309 376 V C 0.387 176.470 176.094 -0.018 0.000 1.130 376 V CA -0.387 61.902 62.300 -0.018 0.000 0.964 376 V CB 1.671 33.480 31.823 -0.022 0.000 1.029 376 V HN 1.433 nan 8.190 nan 0.000 0.427 377 A N 2.566 125.373 122.820 -0.022 0.000 2.309 377 A HA 0.816 5.136 4.320 0.000 0.000 0.298 377 A C -0.715 176.856 177.584 -0.021 0.000 1.165 377 A CA -0.457 51.568 52.037 -0.020 0.000 0.821 377 A CB 1.143 20.130 19.000 -0.021 0.000 1.102 377 A HN 0.808 nan 8.150 nan 0.000 0.500 378 V N 4.388 124.292 119.914 -0.017 0.000 2.409 378 V HA 0.313 4.433 4.120 0.000 0.000 0.290 378 V C -0.597 175.490 176.094 -0.012 0.000 1.017 378 V CA -0.098 62.193 62.300 -0.016 0.000 0.841 378 V CB 1.282 33.096 31.823 -0.014 0.000 1.003 378 V HN 0.750 nan 8.190 nan 0.000 0.426 379 I N 5.488 126.051 120.570 -0.012 0.000 2.328 379 I HA 0.411 4.581 4.170 0.000 0.000 0.287 379 I C 0.118 176.231 176.117 -0.006 0.000 1.012 379 I CA -0.537 60.758 61.300 -0.008 0.000 1.195 379 I CB 1.197 39.192 38.000 -0.008 0.000 1.350 379 I HN 0.439 nan 8.210 nan 0.000 0.464 380 K N 6.171 126.568 120.400 -0.005 0.000 2.266 380 K HA 0.370 4.690 4.320 0.000 0.000 0.274 380 K C -0.285 176.314 176.600 -0.002 0.000 1.090 380 K CA -0.574 55.711 56.287 -0.003 0.000 0.925 380 K CB 1.251 33.749 32.500 -0.004 0.000 1.225 380 K HN 0.343 nan 8.250 nan 0.000 0.458 381 V N 2.443 122.357 119.914 0.000 0.000 3.083 381 V HA -0.132 3.988 4.120 0.000 0.000 0.303 381 V C 1.665 177.759 176.094 0.001 0.000 1.151 381 V CA 0.496 62.797 62.300 0.002 0.000 1.275 381 V CB 0.133 31.958 31.823 0.004 0.000 0.950 381 V HN 0.954 nan 8.190 nan 0.000 0.506 382 G N 1.242 110.043 108.800 0.001 0.000 2.393 382 G HA2 0.512 4.472 3.960 0.000 0.000 0.268 382 G HA3 0.512 4.472 3.960 0.000 0.000 0.268 382 G C 0.118 175.019 174.900 0.002 0.000 1.472 382 G CA 0.482 45.583 45.100 0.001 0.000 1.059 382 G HN 1.385 nan 8.290 nan 0.000 0.555 383 A N -3.562 119.259 122.820 0.002 0.000 5.519 383 A HA 0.836 5.156 4.320 0.000 0.000 0.158 383 A C 0.042 177.627 177.584 0.002 0.000 0.860 383 A CA 0.764 52.802 52.037 0.002 0.000 1.134 383 A CB -0.309 18.692 19.000 0.001 0.000 2.248 383 A HN 2.574 nan 8.150 nan 0.000 1.056 384 A N -0.611 122.210 122.820 0.002 0.000 3.033 384 A HA 0.579 4.899 4.320 0.000 0.000 0.262 384 A C 1.018 178.603 177.584 0.002 0.000 1.301 384 A CA 1.161 53.199 52.037 0.002 0.000 0.727 384 A CB -2.614 16.387 19.000 0.001 0.000 1.094 384 A HN 3.573 nan 8.150 nan 0.000 0.374 385 T N -2.134 112.421 114.554 0.002 0.000 0.541 385 T HA -0.088 4.262 4.350 0.000 0.000 0.774 385 T C 0.386 175.088 174.700 0.003 0.000 0.992 385 T CA 1.509 63.611 62.100 0.002 0.000 4.077 385 T CB -1.036 67.833 68.868 0.002 0.000 2.303 385 T HN 1.901 nan 8.240 nan 0.000 0.398 386 E N 0.958 121.160 120.200 0.003 0.000 2.085 386 E HA -0.127 4.223 4.350 0.000 0.000 0.194 386 E C 2.189 178.792 176.600 0.004 0.000 0.994 386 E CA 2.075 58.477 56.400 0.004 0.000 0.801 386 E CB -0.183 29.519 29.700 0.004 0.000 0.743 386 E HN 0.645 nan 8.360 nan 0.000 0.453 387 V N 1.367 121.283 119.914 0.004 0.000 2.332 387 V HA -0.276 3.844 4.120 0.000 0.000 0.248 387 V C 2.078 178.175 176.094 0.005 0.000 1.055 387 V CA 2.270 64.573 62.300 0.005 0.000 1.038 387 V CB -0.535 31.290 31.823 0.004 0.000 0.651 387 V HN 0.311 nan 8.190 nan 0.000 0.450 388 E N -0.788 119.415 120.200 0.004 0.000 2.158 388 E HA -0.142 4.208 4.350 0.000 0.000 0.191 388 E C 2.195 178.798 176.600 0.004 0.000 0.982 388 E CA 0.897 57.300 56.400 0.004 0.000 0.823 388 E CB -0.201 29.500 29.700 0.003 0.000 0.766 388 E HN 0.419 nan 8.360 nan 0.000 0.468 389 M N 1.246 120.849 119.600 0.004 0.000 2.117 389 M HA -0.144 4.336 4.480 0.000 0.000 0.262 389 M C 1.565 177.869 176.300 0.006 0.000 1.065 389 M CA 1.510 56.812 55.300 0.005 0.000 1.114 389 M CB -0.141 32.461 32.600 0.004 0.000 1.361 389 M HN -0.147 nan 8.290 nan 0.000 0.408 390 K N 0.113 120.517 120.400 0.006 0.000 2.439 390 K HA -0.107 4.213 4.320 0.000 0.000 0.197 390 K C 1.737 178.342 176.600 0.008 0.000 1.041 390 K CA 0.753 57.044 56.287 0.008 0.000 0.970 390 K CB -0.190 32.315 32.500 0.008 0.000 0.773 390 K HN 0.594 nan 8.250 nan 0.000 0.479 391 E N 0.968 121.172 120.200 0.007 0.000 2.102 391 E HA -0.075 4.275 4.350 0.000 0.000 0.190 391 E C 1.879 178.484 176.600 0.008 0.000 0.971 391 E CA 0.463 56.868 56.400 0.007 0.000 0.821 391 E CB 0.282 29.985 29.700 0.006 0.000 0.777 391 E HN 0.078 nan 8.360 nan 0.000 0.460 392 K N 1.170 121.574 120.400 0.007 0.000 2.057 392 K HA -0.157 4.163 4.320 0.000 0.000 0.206 392 K C 2.244 178.850 176.600 0.010 0.000 1.050 392 K CA 1.198 57.489 56.287 0.008 0.000 0.935 392 K CB 0.008 32.511 32.500 0.006 0.000 0.715 392 K HN -0.088 nan 8.250 nan 0.000 0.439 393 K N 0.352 120.758 120.400 0.010 0.000 2.059 393 K HA -0.227 4.093 4.320 0.000 0.000 0.212 393 K C 1.902 178.512 176.600 0.017 0.000 1.050 393 K CA 1.616 57.910 56.287 0.012 0.000 0.927 393 K CB -0.221 32.286 32.500 0.011 0.000 0.714 393 K HN 0.215 nan 8.250 nan 0.000 0.447 394 A N 1.452 124.282 122.820 0.016 0.000 1.845 394 A HA -0.161 4.159 4.320 0.000 0.000 0.215 394 A C 2.059 179.656 177.584 0.021 0.000 1.195 394 A CA 1.662 53.710 52.037 0.019 0.000 0.616 394 A CB -0.596 18.412 19.000 0.013 0.000 0.832 394 A HN 0.382 nan 8.150 nan 0.000 0.443 395 R N -0.629 119.881 120.500 0.017 0.000 2.211 395 R HA -0.104 4.236 4.340 0.000 0.000 0.240 395 R C 1.910 178.224 176.300 0.023 0.000 1.144 395 R CA 1.286 57.396 56.100 0.017 0.000 0.992 395 R CB -0.573 29.734 30.300 0.012 0.000 0.869 395 R HN 0.426 nan 8.270 nan 0.000 0.462 396 V N 0.992 120.920 119.914 0.023 0.000 2.283 396 V HA -0.201 3.919 4.120 0.000 0.000 0.243 396 V C 1.984 178.102 176.094 0.040 0.000 1.039 396 V CA 1.709 64.023 62.300 0.025 0.000 1.016 396 V CB -0.343 31.490 31.823 0.017 0.000 0.650 396 V HN 0.313 nan 8.190 nan 0.000 0.449 397 E N 0.472 120.703 120.200 0.052 0.000 2.049 397 E HA -0.271 4.079 4.350 0.000 0.000 0.198 397 E C 2.295 178.985 176.600 0.149 0.000 1.007 397 E CA 1.573 58.032 56.400 0.098 0.000 0.809 397 E CB -0.423 29.337 29.700 0.100 0.000 0.749 397 E HN 0.585 nan 8.360 nan 0.000 0.450 398 A N 1.373 124.247 122.820 0.090 0.000 1.908 398 A HA -0.180 4.140 4.320 0.000 0.000 0.218 398 A C 2.359 179.997 177.584 0.090 0.000 1.181 398 A CA 1.944 54.023 52.037 0.070 0.000 0.627 398 A CB -0.764 18.250 19.000 0.024 0.000 0.818 398 A HN 0.315 nan 8.150 nan 0.000 0.445 399 A N -0.263 122.596 122.820 0.064 0.000 1.832 399 A HA 0.010 4.330 4.320 0.000 0.000 0.214 399 A C 2.130 179.749 177.584 0.058 0.000 1.200 399 A CA 1.743 53.810 52.037 0.050 0.000 0.610 399 A CB -0.932 18.087 19.000 0.031 0.000 0.842 399 A HN 0.957 nan 8.150 nan 0.000 0.444 400 L N -0.308 120.942 121.223 0.045 0.000 2.010 400 L HA -0.291 4.049 4.340 0.000 0.000 0.219 400 L C 2.265 179.144 176.870 0.014 0.000 1.077 400 L CA 2.809 57.656 54.840 0.012 0.000 0.773 400 L CB -1.204 40.845 42.059 -0.016 0.000 0.892 400 L HN 0.574 nan 8.230 nan 0.000 0.436 401 H N -0.123 118.947 119.070 -0.000 0.000 2.355 401 H HA -0.202 4.354 4.556 0.000 0.000 0.293 401 H C 2.085 177.415 175.328 0.003 0.000 1.060 401 H CA 2.245 58.293 56.048 0.001 0.000 1.167 401 H CB -0.636 29.127 29.762 0.002 0.000 1.376 401 H HN 0.527 nan 8.280 nan 0.000 0.549 402 A N 0.022 122.947 122.820 0.174 0.000 1.997 402 A HA -0.228 4.092 4.320 0.000 0.000 0.221 402 A C 2.684 180.303 177.584 0.058 0.000 1.172 402 A CA 2.376 54.468 52.037 0.093 0.000 0.645 402 A CB -1.042 17.994 19.000 0.061 0.000 0.813 402 A HN 0.528 nan 8.150 nan 0.000 0.454 403 T N -0.883 113.698 114.554 0.045 0.000 2.643 403 T HA -0.149 4.201 4.350 0.000 0.000 0.264 403 T C 2.169 176.878 174.700 0.014 0.000 1.045 403 T CA 1.352 63.465 62.100 0.023 0.000 1.155 403 T CB -0.273 68.603 68.868 0.012 0.000 0.863 403 T HN 0.364 nan 8.240 nan 0.000 0.420 404 R N 1.264 121.766 120.500 0.002 0.000 2.134 404 R HA -0.105 4.235 4.340 0.000 0.000 0.248 404 R C 2.406 178.711 176.300 0.008 0.000 1.143 404 R CA 1.941 58.035 56.100 -0.010 0.000 0.957 404 R CB -1.202 29.072 30.300 -0.043 0.000 0.867 404 R HN 0.452 nan 8.270 nan 0.000 0.441 405 A N -0.510 122.327 122.820 0.029 0.000 2.216 405 A HA 0.079 4.399 4.320 0.000 0.000 0.214 405 A C 2.052 179.650 177.584 0.024 0.000 1.160 405 A CA 1.469 53.527 52.037 0.034 0.000 0.725 405 A CB -0.243 18.790 19.000 0.055 0.000 0.784 405 A HN 0.421 nan 8.150 nan 0.000 0.472 406 A N -0.914 121.917 122.820 0.020 0.000 1.942 406 A HA 0.228 4.548 4.320 0.000 0.000 0.209 406 A C 2.020 179.610 177.584 0.010 0.000 1.214 406 A CA 1.004 53.050 52.037 0.015 0.000 0.686 406 A CB -0.588 18.422 19.000 0.016 0.000 0.871 406 A HN 0.277 nan 8.150 nan 0.000 0.460 407 V N 0.710 120.629 119.914 0.008 0.000 2.324 407 V HA -0.325 3.795 4.120 0.000 0.000 0.250 407 V C 2.403 178.499 176.094 0.004 0.000 1.060 407 V CA 2.514 64.816 62.300 0.004 0.000 1.042 407 V CB -0.877 30.945 31.823 -0.000 0.000 0.650 407 V HN 0.618 nan 8.190 nan 0.000 0.450 408 E N -0.060 120.143 120.200 0.005 0.000 2.006 408 E HA -0.164 4.186 4.350 0.000 0.000 0.192 408 E C 1.444 178.047 176.600 0.005 0.000 0.993 408 E CA 1.363 57.766 56.400 0.005 0.000 0.808 408 E CB -0.043 29.662 29.700 0.007 0.000 0.764 408 E HN 0.655 nan 8.360 nan 0.000 0.449 409 E N -0.114 120.090 120.200 0.007 0.000 2.736 409 E HA 0.258 4.608 4.350 0.000 0.000 0.208 409 E C 0.057 176.661 176.600 0.006 0.000 0.996 409 E CA -0.046 56.357 56.400 0.005 0.000 1.104 409 E CB 1.144 30.845 29.700 0.002 0.000 1.111 409 E HN 0.330 nan 8.360 nan 0.000 0.455 410 G N 0.956 109.760 108.800 0.007 0.000 2.645 410 G HA2 -0.256 3.704 3.960 0.000 0.000 0.239 410 G HA3 -0.256 3.704 3.960 0.000 0.000 0.239 410 G C -0.193 174.713 174.900 0.011 0.000 1.331 410 G CA -0.270 44.836 45.100 0.009 0.000 0.890 410 G HN 0.661 nan 8.290 nan 0.000 0.572 411 V N -3.146 116.776 119.914 0.012 0.000 3.147 411 V HA 0.972 5.092 4.120 0.000 0.000 0.306 411 V C -0.143 175.960 176.094 0.015 0.000 1.209 411 V CA 0.401 62.709 62.300 0.014 0.000 1.023 411 V CB 1.485 33.317 31.823 0.015 0.000 1.059 411 V HN 2.639 nan 8.190 nan 0.000 0.435 412 V N 2.006 121.930 119.914 0.016 0.000 3.178 412 V HA 0.894 5.014 4.120 0.000 0.000 0.302 412 V C 0.449 176.555 176.094 0.021 0.000 1.262 412 V CA -0.256 62.055 62.300 0.018 0.000 1.030 412 V CB 1.849 33.681 31.823 0.017 0.000 1.074 412 V HN 2.685 nan 8.190 nan 0.000 0.438 413 A N 3.551 126.387 122.820 0.025 0.000 2.500 413 A HA 0.412 4.732 4.320 0.000 0.000 0.281 413 A C 1.052 178.650 177.584 0.023 0.000 1.092 413 A CA 1.103 53.157 52.037 0.028 0.000 0.909 413 A CB -1.332 17.691 19.000 0.037 0.000 0.958 413 A HN 2.097 nan 8.150 nan 0.000 0.535 414 G N 1.411 110.223 108.800 0.020 0.000 2.486 414 G HA2 0.517 4.477 3.960 0.000 0.000 0.272 414 G HA3 0.517 4.477 3.960 0.000 0.000 0.272 414 G C 1.246 176.157 174.900 0.018 0.000 1.426 414 G CA -0.067 45.044 45.100 0.018 0.000 1.058 414 G HN 2.217 nan 8.290 nan 0.000 0.531 415 G N -2.244 106.565 108.800 0.016 0.000 2.249 415 G HA2 0.228 4.188 3.960 0.000 0.000 0.273 415 G HA3 0.228 4.188 3.960 0.000 0.000 0.273 415 G C 1.498 176.407 174.900 0.015 0.000 1.036 415 G CA 1.157 46.268 45.100 0.018 0.000 0.824 415 G HN 2.485 nan 8.290 nan 0.000 0.504 416 G N -2.812 105.994 108.800 0.010 0.000 2.253 416 G HA2 -0.183 3.777 3.960 0.000 0.000 0.251 416 G HA3 -0.183 3.777 3.960 0.000 0.000 0.251 416 G C 1.924 176.827 174.900 0.006 0.000 0.998 416 G CA 1.829 46.931 45.100 0.003 0.000 0.621 416 G HN 2.053 nan 8.290 nan 0.000 0.524 417 V N -0.951 118.971 119.914 0.013 0.000 2.323 417 V HA 0.302 4.422 4.120 0.000 0.000 0.244 417 V C 3.093 179.199 176.094 0.020 0.000 1.041 417 V CA 2.239 64.550 62.300 0.018 0.000 1.025 417 V CB -1.733 30.105 31.823 0.024 0.000 0.656 417 V HN 1.701 nan 8.190 nan 0.000 0.451 418 A N 1.614 124.446 122.820 0.021 0.000 1.899 418 A HA -0.302 4.018 4.320 0.000 0.000 0.230 418 A C 2.276 179.870 177.584 0.017 0.000 1.593 418 A CA 3.213 55.261 52.037 0.019 0.000 0.728 418 A CB -1.142 17.868 19.000 0.016 0.000 0.848 418 A HN 0.626 nan 8.150 nan 0.000 0.490 419 L N -0.968 120.262 121.223 0.012 0.000 1.988 419 L HA -0.170 4.170 4.340 0.000 0.000 0.207 419 L C 2.621 179.498 176.870 0.011 0.000 1.071 419 L CA 1.705 56.550 54.840 0.009 0.000 0.744 419 L CB -0.802 41.261 42.059 0.006 0.000 0.893 419 L HN 0.445 nan 8.230 nan 0.000 0.433 420 I N -0.305 120.272 120.570 0.011 0.000 2.315 420 I HA -0.307 3.863 4.170 0.000 0.000 0.251 420 I C 2.812 178.941 176.117 0.020 0.000 1.125 420 I CA 0.941 62.249 61.300 0.013 0.000 1.392 420 I CB -0.448 37.559 38.000 0.011 0.000 1.065 420 I HN 0.288 nan 8.210 nan 0.000 0.424 421 R N 1.457 121.972 120.500 0.025 0.000 2.070 421 R HA -0.103 4.237 4.340 0.000 0.000 0.227 421 R C 2.197 178.512 176.300 0.025 0.000 1.147 421 R CA 1.834 57.953 56.100 0.033 0.000 0.924 421 R CB -1.107 29.216 30.300 0.038 0.000 0.827 421 R HN 0.092 nan 8.270 nan 0.000 0.431 422 V N 1.318 121.243 119.914 0.019 0.000 2.218 422 V HA -0.341 3.779 4.120 0.000 0.000 0.251 422 V C 2.273 178.374 176.094 0.012 0.000 1.057 422 V CA 2.583 64.891 62.300 0.014 0.000 1.022 422 V CB -1.251 30.578 31.823 0.010 0.000 0.645 422 V HN 0.621 nan 8.190 nan 0.000 0.451 423 A N 0.240 123.066 122.820 0.010 0.000 2.245 423 A HA -0.186 4.134 4.320 0.000 0.000 0.217 423 A C 2.327 179.917 177.584 0.010 0.000 1.171 423 A CA 2.058 54.100 52.037 0.009 0.000 0.688 423 A CB -0.617 18.387 19.000 0.007 0.000 0.781 423 A HN 0.797 nan 8.150 nan 0.000 0.479 424 S N -1.060 114.649 115.700 0.015 0.000 2.486 424 S HA 0.053 4.523 4.470 0.000 0.000 0.220 424 S C 1.665 176.274 174.600 0.014 0.000 1.011 424 S CA 0.681 58.891 58.200 0.016 0.000 0.921 424 S CB -0.018 63.196 63.200 0.024 0.000 0.785 424 S HN 0.617 nan 8.310 nan 0.000 0.517 425 K N 1.430 121.838 120.400 0.013 0.000 2.021 425 K HA 0.264 4.584 4.320 0.000 0.000 0.205 425 K C 1.285 177.890 176.600 0.008 0.000 1.047 425 K CA 0.777 57.071 56.287 0.011 0.000 0.943 425 K CB -0.445 32.061 32.500 0.011 0.000 0.725 425 K HN 0.302 nan 8.250 nan 0.000 0.439 426 L N 1.716 122.943 121.223 0.007 0.000 2.885 426 L HA -0.046 4.294 4.340 0.000 0.000 0.258 426 L C 1.752 178.625 176.870 0.004 0.000 1.146 426 L CA -0.315 54.528 54.840 0.005 0.000 0.922 426 L CB -0.740 41.321 42.059 0.004 0.000 1.138 426 L HN 0.200 nan 8.230 nan 0.000 0.431 427 A N -0.643 122.180 122.820 0.005 0.000 2.172 427 A HA -0.146 4.174 4.320 0.000 0.000 0.216 427 A C 1.744 179.330 177.584 0.003 0.000 1.154 427 A CA 1.218 53.258 52.037 0.004 0.000 0.701 427 A CB -0.169 18.834 19.000 0.005 0.000 0.789 427 A HN 0.398 nan 8.150 nan 0.000 0.465 428 D N -1.230 119.171 120.400 0.003 0.000 2.389 428 D HA 0.106 4.746 4.640 0.000 0.000 0.206 428 D C 0.316 176.617 176.300 0.001 0.000 1.055 428 D CA -0.239 53.762 54.000 0.002 0.000 0.856 428 D CB 0.054 40.855 40.800 0.002 0.000 0.957 428 D HN 0.348 nan 8.370 nan 0.000 0.509 429 L N 2.239 123.463 121.223 0.001 0.000 2.578 429 L HA 0.007 4.347 4.340 0.000 0.000 0.279 429 L C 0.187 177.057 176.870 0.001 0.000 1.227 429 L CA 0.777 55.617 54.840 0.001 0.000 0.900 429 L CB 0.066 42.126 42.059 0.001 0.000 1.144 429 L HN -0.157 nan 8.230 nan 0.000 0.496 430 R N 3.067 123.567 120.500 0.000 0.000 2.817 430 R HA 0.727 5.067 4.340 0.000 0.000 0.268 430 R C -0.281 176.018 176.300 -0.001 0.000 1.027 430 R CA -0.345 55.755 56.100 -0.000 0.000 0.928 430 R CB 1.450 31.750 30.300 -0.000 0.000 1.228 430 R HN 0.793 nan 8.270 nan 0.000 0.469 431 G N -0.391 108.408 108.800 -0.001 0.000 3.212 431 G HA2 0.232 4.192 3.960 0.000 0.000 0.188 431 G HA3 0.232 4.192 3.960 0.000 0.000 0.188 431 G C 0.002 174.901 174.900 -0.001 0.000 1.254 431 G CA -0.199 44.900 45.100 -0.001 0.000 0.957 431 G HN 0.406 nan 8.290 nan 0.000 0.596 432 Q N -0.391 119.408 119.800 -0.001 0.000 2.204 432 Q HA 0.106 4.446 4.340 0.000 0.000 0.198 432 Q C -0.077 175.922 176.000 -0.002 0.000 0.946 432 Q CA 0.739 56.541 55.803 -0.002 0.000 0.859 432 Q CB 0.121 28.858 28.738 -0.002 0.000 0.946 432 Q HN 0.587 nan 8.270 nan 0.000 0.474 433 N N -1.527 117.172 118.700 -0.002 0.000 2.321 433 N HA 0.401 5.141 4.740 0.000 0.000 0.290 433 N C -0.056 175.453 175.510 -0.002 0.000 1.212 433 N CA -0.022 53.027 53.050 -0.002 0.000 0.767 433 N CB 0.754 39.240 38.487 -0.002 0.000 1.494 433 N HN -0.070 nan 8.380 nan 0.000 0.479 434 A N 0.482 123.301 122.820 -0.002 0.000 1.915 434 A HA -0.259 4.061 4.320 0.000 0.000 0.220 434 A C 1.024 178.607 177.584 -0.001 0.000 1.198 434 A CA 2.074 54.110 52.037 -0.001 0.000 0.647 434 A CB -0.988 18.011 19.000 -0.001 0.000 0.825 434 A HN 0.758 nan 8.150 nan 0.000 0.456 435 D N -1.205 119.194 120.400 -0.002 0.000 2.411 435 D HA -0.061 4.579 4.640 0.000 0.000 0.226 435 D C 1.670 177.969 176.300 -0.002 0.000 0.988 435 D CA 1.004 55.002 54.000 -0.002 0.000 0.938 435 D CB -0.033 40.766 40.800 -0.003 0.000 0.883 435 D HN 0.734 nan 8.370 nan 0.000 0.525 436 Q N -1.013 118.787 119.800 -0.001 0.000 2.404 436 Q HA 0.095 4.435 4.340 0.000 0.000 0.262 436 Q C 1.399 177.398 176.000 -0.001 0.000 0.846 436 Q CA -0.224 55.578 55.803 -0.001 0.000 0.978 436 Q CB 0.535 29.272 28.738 -0.001 0.000 1.156 436 Q HN 0.029 nan 8.270 nan 0.000 0.548 437 N N 0.173 118.873 118.700 -0.001 0.000 2.166 437 N HA -0.120 4.620 4.740 0.000 0.000 0.186 437 N C 1.657 177.167 175.510 -0.000 0.000 1.019 437 N CA 1.061 54.111 53.050 -0.000 0.000 0.856 437 N CB 0.048 38.535 38.487 -0.000 0.000 0.993 437 N HN 0.048 nan 8.380 nan 0.000 0.426 438 V N 0.631 120.545 119.914 -0.000 0.000 2.548 438 V HA -0.051 4.069 4.120 0.000 0.000 0.249 438 V C 2.290 178.384 176.094 0.000 0.000 1.055 438 V CA 1.671 63.971 62.300 0.000 0.000 1.065 438 V CB -0.955 30.868 31.823 -0.000 0.000 0.681 438 V HN 0.311 nan 8.190 nan 0.000 0.462 439 G N -0.493 108.307 108.800 0.000 0.000 2.535 439 G HA2 -0.140 3.820 3.960 0.000 0.000 0.218 439 G HA3 -0.140 3.820 3.960 0.000 0.000 0.218 439 G C 1.386 176.286 174.900 0.001 0.000 1.122 439 G CA 0.719 45.820 45.100 0.000 0.000 0.769 439 G HN 0.507 nan 8.290 nan 0.000 0.549 440 I N -0.530 120.040 120.570 0.001 0.000 2.834 440 I HA 0.049 4.219 4.170 0.000 0.000 0.239 440 I C 2.382 178.500 176.117 0.001 0.000 1.073 440 I CA 0.162 61.463 61.300 0.001 0.000 1.459 440 I CB -0.116 37.885 38.000 0.000 0.000 1.288 440 I HN -0.158 nan 8.210 nan 0.000 0.455 441 K N 1.018 121.419 120.400 0.001 0.000 2.163 441 K HA -0.196 4.124 4.320 0.000 0.000 0.210 441 K C 2.063 178.664 176.600 0.001 0.000 1.048 441 K CA 1.221 57.508 56.287 0.001 0.000 0.928 441 K CB -1.015 31.486 32.500 0.001 0.000 0.716 441 K HN 0.196 nan 8.250 nan 0.000 0.459 442 V N 1.221 121.136 119.914 0.001 0.000 2.295 442 V HA -0.248 3.872 4.120 0.000 0.000 0.246 442 V C 2.410 178.506 176.094 0.002 0.000 1.049 442 V CA 2.033 64.334 62.300 0.002 0.000 1.024 442 V CB -0.702 31.122 31.823 0.002 0.000 0.648 442 V HN 0.373 nan 8.190 nan 0.000 0.447 443 A N -0.862 121.960 122.820 0.002 0.000 2.019 443 A HA -0.090 4.230 4.320 0.000 0.000 0.219 443 A C 2.131 179.717 177.584 0.002 0.000 1.164 443 A CA 1.516 53.554 52.037 0.003 0.000 0.644 443 A CB -0.346 18.655 19.000 0.002 0.000 0.805 443 A HN 0.539 nan 8.150 nan 0.000 0.449 444 L N -1.585 119.640 121.223 0.002 0.000 2.071 444 L HA -0.007 4.333 4.340 0.000 0.000 0.201 444 L C 2.628 179.499 176.870 0.002 0.000 1.076 444 L CA 1.228 56.070 54.840 0.002 0.000 0.755 444 L CB -0.583 41.478 42.059 0.003 0.000 0.915 444 L HN 0.368 nan 8.230 nan 0.000 0.445 445 R N 0.930 121.431 120.500 0.001 0.000 2.261 445 R HA -0.175 4.165 4.340 0.000 0.000 0.236 445 R C 1.678 177.978 176.300 -0.000 0.000 1.141 445 R CA 1.300 57.401 56.100 0.000 0.000 1.001 445 R CB -0.097 30.203 30.300 0.000 0.000 0.866 445 R HN 0.382 nan 8.270 nan 0.000 0.468 446 A N -0.405 122.415 122.820 0.001 0.000 2.307 446 A HA 0.130 4.450 4.320 0.000 0.000 0.218 446 A C 1.454 179.039 177.584 0.001 0.000 1.228 446 A CA -0.021 52.017 52.037 0.001 0.000 0.857 446 A CB 0.068 19.070 19.000 0.003 0.000 0.897 446 A HN 0.321 nan 8.150 nan 0.000 0.495 447 M N -1.462 118.139 119.600 0.001 0.000 2.461 447 M HA 0.120 4.600 4.480 0.000 0.000 0.255 447 M C 1.052 177.351 176.300 -0.001 0.000 1.137 447 M CA 0.400 55.700 55.300 0.001 0.000 1.086 447 M CB 0.190 32.792 32.600 0.003 0.000 1.356 447 M HN 0.332 nan 8.290 nan 0.000 0.487 448 E N 1.115 121.313 120.200 -0.003 0.000 2.511 448 E HA 0.031 4.381 4.350 0.000 0.000 0.196 448 E C 1.738 178.330 176.600 -0.013 0.000 1.066 448 E CA 0.216 56.612 56.400 -0.008 0.000 0.871 448 E CB 0.136 29.832 29.700 -0.008 0.000 0.863 448 E HN 0.458 nan 8.360 nan 0.000 0.520 449 A N 2.107 124.921 122.820 -0.010 0.000 1.826 449 A HA -0.056 4.264 4.320 0.000 0.000 0.214 449 A C -0.381 177.194 177.584 -0.016 0.000 1.212 449 A CA 0.720 52.750 52.037 -0.012 0.000 0.605 449 A CB -1.480 17.516 19.000 -0.006 0.000 0.861 449 A HN 0.079 nan 8.150 nan 0.000 0.447 450 P HA -0.220 nan 4.420 nan 0.000 0.219 450 P C 1.675 178.962 177.300 -0.022 0.000 1.158 450 P CA 1.496 64.590 63.100 -0.011 0.000 0.895 450 P CB -0.081 31.616 31.700 -0.004 0.000 0.792 451 L N -0.693 120.514 121.223 -0.027 0.000 1.961 451 L HA -0.106 4.234 4.340 0.000 0.000 0.209 451 L C 2.408 179.237 176.870 -0.069 0.000 1.075 451 L CA 1.793 56.605 54.840 -0.047 0.000 0.749 451 L CB -0.929 41.101 42.059 -0.048 0.000 0.890 451 L HN -0.283 nan 8.230 nan 0.000 0.433 452 R N -1.009 119.454 120.500 -0.061 0.000 2.257 452 R HA -0.306 4.034 4.340 0.000 0.000 0.265 452 R C 2.241 178.504 176.300 -0.062 0.000 1.191 452 R CA 1.888 57.949 56.100 -0.065 0.000 1.010 452 R CB -0.330 29.944 30.300 -0.042 0.000 0.883 452 R HN 0.492 nan 8.270 nan 0.000 0.473 453 Q N 0.525 120.296 119.800 -0.048 0.000 2.036 453 Q HA -0.001 4.339 4.340 0.000 0.000 0.195 453 Q C 1.877 177.850 176.000 -0.046 0.000 0.971 453 Q CA 1.400 57.179 55.803 -0.039 0.000 0.826 453 Q CB -0.033 28.690 28.738 -0.025 0.000 0.896 453 Q HN 0.339 nan 8.270 nan 0.000 0.449 454 I N -0.049 120.494 120.570 -0.045 0.000 2.315 454 I HA -0.233 3.937 4.170 0.000 0.000 0.251 454 I C 1.917 177.994 176.117 -0.066 0.000 1.125 454 I CA 0.831 62.107 61.300 -0.040 0.000 1.392 454 I CB -0.549 37.436 38.000 -0.024 0.000 1.065 454 I HN 0.016 nan 8.210 nan 0.000 0.424 455 V N 0.894 120.734 119.914 -0.123 0.000 2.913 455 V HA -0.200 3.920 4.120 0.000 0.000 0.260 455 V C 2.218 178.244 176.094 -0.112 0.000 1.098 455 V CA 1.298 63.482 62.300 -0.193 0.000 1.121 455 V CB -0.335 31.322 31.823 -0.277 0.000 0.714 455 V HN 0.364 nan 8.190 nan 0.000 0.487 456 L N 0.210 121.389 121.223 -0.073 0.000 2.249 456 L HA 0.180 4.520 4.340 0.000 0.000 0.207 456 L C 1.801 178.652 176.870 -0.031 0.000 1.090 456 L CA 1.335 56.146 54.840 -0.047 0.000 0.802 456 L CB -0.497 41.540 42.059 -0.038 0.000 0.947 456 L HN 0.263 nan 8.230 nan 0.000 0.453 457 N N -1.242 117.442 118.700 -0.027 0.000 2.567 457 N HA -0.054 4.686 4.740 0.000 0.000 0.195 457 N C 0.626 176.132 175.510 -0.008 0.000 1.242 457 N CA 0.698 53.740 53.050 -0.015 0.000 0.884 457 N CB -0.367 38.113 38.487 -0.011 0.000 1.007 457 N HN 0.378 nan 8.380 nan 0.000 0.450 458 C N -1.685 117.608 119.300 -0.012 0.000 3.525 458 C HA 0.399 4.859 4.460 0.000 0.000 0.289 458 C C 1.623 176.613 174.990 -0.001 0.000 1.496 458 C CA -0.359 58.661 59.018 0.002 0.000 1.804 458 C CB -0.405 27.347 27.740 0.019 0.000 2.708 458 C HN 0.468 nan 8.230 nan 0.000 0.642 459 G N 1.792 110.586 108.800 -0.010 0.000 2.180 459 G HA2 -0.214 3.746 3.960 0.000 0.000 0.263 459 G HA3 -0.214 3.746 3.960 0.000 0.000 0.263 459 G C -0.256 174.639 174.900 -0.009 0.000 0.989 459 G CA 0.546 45.641 45.100 -0.008 0.000 0.692 459 G HN 0.573 nan 8.290 nan 0.000 0.526 460 E N 1.000 121.188 120.200 -0.020 0.000 2.174 460 E HA 0.278 4.628 4.350 0.000 0.000 0.282 460 E C 0.454 177.025 176.600 -0.049 0.000 0.992 460 E CA -0.522 55.864 56.400 -0.024 0.000 0.803 460 E CB 0.752 30.438 29.700 -0.024 0.000 1.090 460 E HN 0.584 nan 8.360 nan 0.000 0.396 461 E N 4.274 124.458 120.200 -0.028 0.000 2.752 461 E HA -0.100 4.250 4.350 0.000 0.000 0.241 461 E C -1.561 175.005 176.600 -0.056 0.000 1.016 461 E CA -0.801 55.581 56.400 -0.030 0.000 0.952 461 E CB 0.226 29.921 29.700 -0.009 0.000 0.921 461 E HN 0.212 nan 8.360 nan 0.000 0.515 462 P HA -0.140 nan 4.420 nan 0.000 0.219 462 P C 1.021 178.287 177.300 -0.058 0.000 1.150 462 P CA 0.815 63.861 63.100 -0.090 0.000 0.814 462 P CB 0.307 31.962 31.700 -0.074 0.000 0.787 463 S N -0.301 115.378 115.700 -0.035 0.000 2.393 463 S HA -0.182 4.288 4.470 0.000 0.000 0.234 463 S C 1.923 176.516 174.600 -0.012 0.000 1.064 463 S CA 1.890 60.079 58.200 -0.019 0.000 1.088 463 S CB -1.616 61.578 63.200 -0.011 0.000 0.939 463 S HN -0.004 nan 8.310 nan 0.000 0.448 464 V N 1.249 121.159 119.914 -0.007 0.000 2.278 464 V HA -0.075 4.045 4.120 0.000 0.000 0.238 464 V C 2.359 178.469 176.094 0.027 0.000 1.039 464 V CA 1.221 63.531 62.300 0.017 0.000 1.017 464 V CB -1.008 30.838 31.823 0.039 0.000 0.657 464 V HN 0.362 nan 8.190 nan 0.000 0.462 465 V N 0.748 120.663 119.914 0.002 0.000 2.353 465 V HA -0.401 3.719 4.120 0.000 0.000 0.260 465 V C 2.612 178.708 176.094 0.004 0.000 1.091 465 V CA 2.509 64.799 62.300 -0.015 0.000 1.088 465 V CB -1.344 30.257 31.823 -0.369 0.000 0.672 465 V HN 0.596 nan 8.190 nan 0.000 0.455 466 A N 0.204 123.004 122.820 -0.035 0.000 1.832 466 A HA -0.240 4.080 4.320 0.000 0.000 0.214 466 A C 2.052 179.644 177.584 0.013 0.000 1.204 466 A CA 1.890 53.917 52.037 -0.018 0.000 0.606 466 A CB -0.910 18.072 19.000 -0.029 0.000 0.849 466 A HN 0.611 nan 8.150 nan 0.000 0.445 467 N N -0.555 118.152 118.700 0.012 0.000 2.111 467 N HA -0.195 4.545 4.740 0.000 0.000 0.197 467 N C 1.607 177.134 175.510 0.028 0.000 1.011 467 N CA 2.758 55.819 53.050 0.018 0.000 0.880 467 N CB -0.519 37.977 38.487 0.016 0.000 1.031 467 N HN 0.391 nan 8.380 nan 0.000 0.444 468 T N -0.834 113.742 114.554 0.036 0.000 2.812 468 T HA -0.012 4.338 4.350 0.000 0.000 0.264 468 T C 1.834 176.555 174.700 0.035 0.000 1.042 468 T CA 1.109 63.218 62.100 0.016 0.000 1.140 468 T CB -0.241 68.605 68.868 -0.036 0.000 0.870 468 T HN 0.072 nan 8.240 nan 0.000 0.445 469 V N 1.420 121.360 119.914 0.044 0.000 2.594 469 V HA -0.127 3.993 4.120 0.000 0.000 0.253 469 V C 2.384 178.526 176.094 0.080 0.000 1.069 469 V CA 1.443 63.752 62.300 0.016 0.000 1.082 469 V CB -0.449 31.384 31.823 0.017 0.000 0.680 469 V HN 0.451 nan 8.190 nan 0.000 0.469 470 K N 0.423 120.859 120.400 0.062 0.000 2.062 470 K HA -0.029 4.291 4.320 0.000 0.000 0.205 470 K C 1.989 178.630 176.600 0.070 0.000 1.051 470 K CA 1.187 57.509 56.287 0.058 0.000 0.941 470 K CB -0.551 31.970 32.500 0.034 0.000 0.719 470 K HN 0.530 nan 8.250 nan 0.000 0.440 471 G N 0.716 109.556 108.800 0.066 0.000 2.959 471 G HA2 -0.023 3.937 3.960 0.000 0.000 0.203 471 G HA3 -0.023 3.937 3.960 0.000 0.000 0.203 471 G C 0.421 175.358 174.900 0.061 0.000 1.176 471 G CA 0.636 45.767 45.100 0.052 0.000 0.860 471 G HN 0.372 nan 8.290 nan 0.000 0.507 472 G N -0.457 108.409 108.800 0.110 0.000 3.291 472 G HA2 0.617 4.577 3.960 0.000 0.000 0.173 472 G HA3 0.617 4.577 3.960 0.000 0.000 0.173 472 G C -1.308 173.639 174.900 0.077 0.000 1.099 472 G CA 0.146 45.294 45.100 0.081 0.000 0.794 472 G HN 0.412 nan 8.290 nan 0.000 0.651 473 D N -3.027 117.434 120.400 0.102 0.000 2.926 473 D HA 0.525 5.165 4.640 0.000 0.000 0.282 473 D C 0.381 176.739 176.300 0.097 0.000 1.201 473 D CA 0.683 54.732 54.000 0.081 0.000 0.735 473 D CB 0.344 41.163 40.800 0.031 0.000 1.257 473 D HN 1.962 nan 8.370 nan 0.000 0.428 474 G N 0.131 108.977 108.800 0.076 0.000 2.553 474 G HA2 -0.264 3.696 3.960 0.000 0.000 0.242 474 G HA3 -0.264 3.696 3.960 0.000 0.000 0.242 474 G C -0.193 174.769 174.900 0.105 0.000 1.277 474 G CA 0.020 45.165 45.100 0.075 0.000 0.910 474 G HN 0.796 nan 8.290 nan 0.000 0.576 475 N N 0.024 118.788 118.700 0.107 0.000 2.362 475 N HA 0.179 4.919 4.740 0.000 0.000 0.211 475 N C 0.062 175.669 175.510 0.162 0.000 1.170 475 N CA -0.158 52.956 53.050 0.106 0.000 0.828 475 N CB 0.139 38.671 38.487 0.076 0.000 1.034 475 N HN 0.485 nan 8.380 nan 0.000 0.475 476 Y N 1.373 121.701 120.300 0.047 0.000 2.537 476 Y HA 0.314 4.864 4.550 0.000 0.000 0.339 476 Y C 0.571 176.534 175.900 0.106 0.000 1.066 476 Y CA -0.260 57.880 58.100 0.067 0.000 1.357 476 Y CB 0.053 38.539 38.460 0.045 0.000 1.175 476 Y HN -0.027 nan 8.280 nan 0.000 0.525 477 G N 4.585 113.286 108.800 -0.165 0.000 3.247 477 G HA2 0.309 4.269 3.960 0.000 0.000 0.226 477 G HA3 0.309 4.269 3.960 0.000 0.000 0.226 477 G C -2.208 172.656 174.900 -0.060 0.000 1.220 477 G CA -0.866 44.150 45.100 -0.140 0.000 0.875 477 G HN 0.596 nan 8.290 nan 0.000 0.606 478 Y N 0.895 121.113 120.300 -0.137 0.000 2.373 478 Y HA 0.554 5.104 4.550 0.000 0.000 0.336 478 Y C -0.600 175.175 175.900 -0.209 0.000 0.979 478 Y CA -1.196 56.735 58.100 -0.281 0.000 1.080 478 Y CB 1.800 40.043 38.460 -0.362 0.000 1.190 478 Y HN 0.443 nan 8.280 nan 0.000 0.446 479 N N 4.467 122.903 118.700 -0.441 0.000 2.430 479 N HA 0.204 4.944 4.740 0.000 0.000 0.265 479 N C 0.533 175.861 175.510 -0.304 0.000 1.100 479 N CA 0.761 53.653 53.050 -0.263 0.000 0.961 479 N CB 1.801 40.140 38.487 -0.247 0.000 1.075 479 N HN 0.978 nan 8.380 nan 0.000 0.478 480 A N 4.552 127.391 122.820 0.032 0.000 1.858 480 A HA -0.110 4.210 4.320 0.000 0.000 0.216 480 A C 2.068 179.663 177.584 0.019 0.000 1.190 480 A CA 2.022 54.151 52.037 0.154 0.000 0.617 480 A CB -1.018 18.045 19.000 0.105 0.000 0.827 480 A HN 0.757 nan 8.150 nan 0.000 0.443 481 A N -0.457 122.344 122.820 -0.032 0.000 1.858 481 A HA -0.138 4.182 4.320 0.000 0.000 0.216 481 A C 2.483 180.018 177.584 -0.083 0.000 1.190 481 A CA 2.858 54.869 52.037 -0.044 0.000 0.617 481 A CB -1.491 17.487 19.000 -0.037 0.000 0.827 481 A HN 0.883 nan 8.150 nan 0.000 0.443 482 T N -3.504 110.968 114.554 -0.137 0.000 3.055 482 T HA 0.023 4.373 4.350 0.000 0.000 0.265 482 T C 0.541 175.108 174.700 -0.221 0.000 1.111 482 T CA 1.116 63.123 62.100 -0.154 0.000 1.118 482 T CB -0.391 68.387 68.868 -0.151 0.000 0.909 482 T HN 0.595 nan 8.240 nan 0.000 0.501 483 E N 0.496 120.478 120.200 -0.364 0.000 2.868 483 E HA -0.127 4.223 4.350 0.000 0.000 0.278 483 E C -0.792 175.452 176.600 -0.594 0.000 1.009 483 E CA 0.760 56.880 56.400 -0.468 0.000 0.856 483 E CB -1.155 28.458 29.700 -0.146 0.000 1.428 483 E HN 0.687 nan 8.360 nan 0.000 0.423 484 E N -0.487 119.319 120.200 -0.657 0.000 2.340 484 E HA 0.397 4.747 4.350 0.000 0.000 0.273 484 E C -0.223 176.078 176.600 -0.498 0.000 0.891 484 E CA -0.628 55.508 56.400 -0.439 0.000 0.757 484 E CB 0.995 30.592 29.700 -0.172 0.000 1.231 484 E HN -0.019 nan 8.360 nan 0.000 0.439 485 Y N 0.506 120.696 120.300 -0.184 0.000 2.314 485 Y HA 0.569 5.119 4.550 0.000 0.000 0.359 485 Y C 1.520 177.417 175.900 -0.005 0.000 1.360 485 Y CA 0.832 58.858 58.100 -0.124 0.000 1.697 485 Y CB 0.479 38.911 38.460 -0.047 0.000 1.630 485 Y HN 0.723 nan 8.280 nan 0.000 0.583 486 G N -0.322 108.661 108.800 0.304 0.000 2.315 486 G HA2 -0.129 3.831 3.960 0.000 0.000 0.296 486 G HA3 -0.129 3.831 3.960 0.000 0.000 0.296 486 G C -1.616 173.436 174.900 0.253 0.000 1.289 486 G CA -1.012 44.264 45.100 0.295 0.000 0.996 486 G HN 0.641 nan 8.290 nan 0.000 0.487 487 N N 1.255 120.059 118.700 0.173 0.000 2.399 487 N HA 0.135 4.875 4.740 0.000 0.000 0.259 487 N C 1.916 177.473 175.510 0.078 0.000 1.160 487 N CA -0.416 52.713 53.050 0.132 0.000 0.946 487 N CB 0.553 39.096 38.487 0.093 0.000 1.156 487 N HN 0.442 nan 8.380 nan 0.000 0.489 488 M N 3.366 123.007 119.600 0.070 0.000 2.267 488 M HA -0.165 4.315 4.480 0.000 0.000 0.263 488 M C 1.455 177.774 176.300 0.032 0.000 1.063 488 M CA 0.969 56.292 55.300 0.039 0.000 1.090 488 M CB -0.423 32.199 32.600 0.035 0.000 1.392 488 M HN 0.547 nan 8.290 nan 0.000 0.422 489 I N 0.092 120.685 120.570 0.039 0.000 2.333 489 I HA -0.204 3.966 4.170 0.000 0.000 0.246 489 I C 1.867 177.998 176.117 0.024 0.000 1.106 489 I CA 1.191 62.508 61.300 0.029 0.000 1.411 489 I CB -1.269 36.749 38.000 0.030 0.000 1.082 489 I HN 0.214 nan 8.210 nan 0.000 0.420 490 D N 0.853 121.270 120.400 0.029 0.000 2.117 490 D HA -0.127 4.513 4.640 0.000 0.000 0.198 490 D C 2.178 178.487 176.300 0.016 0.000 0.982 490 D CA 1.086 55.100 54.000 0.023 0.000 0.828 490 D CB -0.140 40.677 40.800 0.028 0.000 0.967 490 D HN 0.282 nan 8.370 nan 0.000 0.464 491 M N -0.275 119.335 119.600 0.017 0.000 2.700 491 M HA 0.049 4.529 4.480 0.000 0.000 0.249 491 M C 1.041 177.342 176.300 0.001 0.000 1.082 491 M CA 0.741 56.044 55.300 0.005 0.000 1.077 491 M CB -0.052 32.547 32.600 -0.003 0.000 1.477 491 M HN 0.081 nan 8.290 nan 0.000 0.529 492 G N 1.971 110.775 108.800 0.007 0.000 2.160 492 G HA2 -0.255 3.705 3.960 0.000 0.000 0.251 492 G HA3 -0.255 3.705 3.960 0.000 0.000 0.251 492 G C 0.020 174.924 174.900 0.005 0.000 1.008 492 G CA -0.155 44.948 45.100 0.006 0.000 0.724 492 G HN 0.543 nan 8.290 nan 0.000 0.514 493 I N 0.820 121.395 120.570 0.007 0.000 2.388 493 I HA 0.567 4.737 4.170 0.000 0.000 0.281 493 I C 0.147 176.272 176.117 0.014 0.000 1.046 493 I CA -0.827 60.478 61.300 0.008 0.000 1.187 493 I CB 0.582 38.585 38.000 0.005 0.000 1.351 493 I HN 0.258 nan 8.210 nan 0.000 0.472 494 L N 3.661 124.892 121.223 0.014 0.000 2.710 494 L HA 0.715 5.055 4.340 0.000 0.000 0.260 494 L C -1.709 175.170 176.870 0.015 0.000 0.993 494 L CA -0.791 54.058 54.840 0.016 0.000 0.877 494 L CB 1.834 43.903 42.059 0.017 0.000 1.461 494 L HN 0.096 nan 8.230 nan 0.000 0.413 495 D N -0.151 120.259 120.400 0.016 0.000 2.619 495 D HA 0.510 5.150 4.640 0.000 0.000 0.241 495 D C -2.811 173.499 176.300 0.017 0.000 1.087 495 D CA -1.238 52.772 54.000 0.017 0.000 0.851 495 D CB 2.226 43.036 40.800 0.016 0.000 1.474 495 D HN 0.349 nan 8.370 nan 0.000 0.478 496 P HA -0.020 nan 4.420 nan 0.000 0.269 496 P C 0.889 178.199 177.300 0.016 0.000 1.205 496 P CA 0.189 63.300 63.100 0.019 0.000 0.780 496 P CB 0.619 32.334 31.700 0.025 0.000 0.858 497 T N 0.846 115.407 114.554 0.013 0.000 2.812 497 T HA -0.133 4.217 4.350 0.000 0.000 0.264 497 T C 1.638 176.341 174.700 0.005 0.000 1.042 497 T CA 1.054 63.159 62.100 0.008 0.000 1.140 497 T CB -0.368 68.503 68.868 0.006 0.000 0.870 497 T HN 0.474 nan 8.240 nan 0.000 0.445 498 K N 0.930 121.335 120.400 0.007 0.000 2.049 498 K HA -0.232 4.088 4.320 0.000 0.000 0.219 498 K C 2.395 178.999 176.600 0.006 0.000 1.056 498 K CA 2.260 58.550 56.287 0.005 0.000 0.946 498 K CB -0.678 31.832 32.500 0.016 0.000 0.723 498 K HN 0.300 nan 8.250 nan 0.000 0.453 499 V N -0.097 119.827 119.914 0.018 0.000 2.261 499 V HA -0.213 3.907 4.120 0.000 0.000 0.246 499 V C 1.783 177.886 176.094 0.015 0.000 1.047 499 V CA 2.632 64.945 62.300 0.023 0.000 1.015 499 V CB -1.126 30.714 31.823 0.028 0.000 0.642 499 V HN 0.452 nan 8.190 nan 0.000 0.446 500 T N 0.086 114.646 114.554 0.011 0.000 2.946 500 T HA -0.160 4.190 4.350 0.000 0.000 0.271 500 T C 1.799 176.498 174.700 -0.003 0.000 1.104 500 T CA 1.979 64.083 62.100 0.008 0.000 1.114 500 T CB -0.396 68.477 68.868 0.008 0.000 0.867 500 T HN 0.701 nan 8.240 nan 0.000 0.513 501 R N 0.845 121.337 120.500 -0.013 0.000 2.046 501 R HA 0.008 4.348 4.340 0.000 0.000 0.223 501 R C 2.631 178.894 176.300 -0.063 0.000 1.179 501 R CA 1.260 57.339 56.100 -0.036 0.000 0.952 501 R CB -0.498 29.776 30.300 -0.043 0.000 0.843 501 R HN 0.150 nan 8.270 nan 0.000 0.439 502 S N 0.950 116.605 115.700 -0.075 0.000 2.393 502 S HA -0.307 4.163 4.470 0.000 0.000 0.235 502 S C 2.054 176.633 174.600 -0.036 0.000 1.061 502 S CA 1.825 59.949 58.200 -0.128 0.000 1.129 502 S CB -0.637 62.556 63.200 -0.010 0.000 1.011 502 S HN 0.615 nan 8.310 nan 0.000 0.436 503 A N 0.730 123.576 122.820 0.043 0.000 1.948 503 A HA -0.121 4.199 4.320 0.000 0.000 0.220 503 A C 2.137 179.749 177.584 0.047 0.000 1.177 503 A CA 1.792 53.874 52.037 0.075 0.000 0.636 503 A CB -0.647 18.384 19.000 0.052 0.000 0.815 503 A HN 0.444 nan 8.150 nan 0.000 0.449 504 L N -0.522 120.705 121.223 0.006 0.000 2.156 504 L HA -0.115 4.225 4.340 0.000 0.000 0.208 504 L C 2.376 179.239 176.870 -0.011 0.000 1.095 504 L CA 1.959 56.799 54.840 -0.000 0.000 0.770 504 L CB -0.512 41.541 42.059 -0.011 0.000 0.914 504 L HN 0.507 nan 8.230 nan 0.000 0.439 505 Q N -1.679 118.084 119.800 -0.061 0.000 1.984 505 Q HA -0.164 4.176 4.340 0.000 0.000 0.196 505 Q C 2.189 178.179 176.000 -0.016 0.000 0.975 505 Q CA 1.629 57.375 55.803 -0.096 0.000 0.827 505 Q CB -0.490 28.110 28.738 -0.229 0.000 0.894 505 Q HN 0.408 nan 8.270 nan 0.000 0.438 506 Y N 1.066 121.368 120.300 0.002 0.000 2.151 506 Y HA -0.266 4.284 4.550 0.000 0.000 0.284 506 Y C 2.475 178.375 175.900 0.001 0.000 1.166 506 Y CA 0.995 59.096 58.100 0.002 0.000 1.163 506 Y CB -1.012 37.449 38.460 0.002 0.000 0.974 506 Y HN 0.189 nan 8.280 nan 0.000 0.511 507 A N -0.102 122.815 122.820 0.162 0.000 1.908 507 A HA -0.155 4.165 4.320 0.000 0.000 0.218 507 A C 2.536 180.160 177.584 0.066 0.000 1.181 507 A CA 2.113 54.204 52.037 0.089 0.000 0.627 507 A CB -1.259 17.776 19.000 0.059 0.000 0.818 507 A HN 0.409 nan 8.150 nan 0.000 0.445 508 A N -0.701 122.152 122.820 0.055 0.000 1.877 508 A HA -0.115 4.205 4.320 0.000 0.000 0.216 508 A C 2.448 180.059 177.584 0.044 0.000 1.186 508 A CA 2.268 54.326 52.037 0.036 0.000 0.620 508 A CB -1.193 17.818 19.000 0.018 0.000 0.822 508 A HN 0.655 nan 8.150 nan 0.000 0.443 509 S N -0.556 115.185 115.700 0.069 0.000 2.427 509 S HA -0.217 4.253 4.470 0.000 0.000 0.231 509 S C 1.904 176.537 174.600 0.055 0.000 1.045 509 S CA 2.313 60.558 58.200 0.075 0.000 1.154 509 S CB -0.921 62.362 63.200 0.139 0.000 1.093 509 S HN 0.390 nan 8.310 nan 0.000 0.422 510 V N 2.854 122.804 119.914 0.059 0.000 2.217 510 V HA -0.298 3.822 4.120 0.000 0.000 0.248 510 V C 2.917 179.026 176.094 0.024 0.000 1.050 510 V CA 2.474 64.794 62.300 0.034 0.000 1.007 510 V CB -1.701 30.139 31.823 0.028 0.000 0.639 510 V HN 0.751 nan 8.190 nan 0.000 0.452 511 A N 0.172 123.007 122.820 0.025 0.000 1.954 511 A HA -0.303 4.017 4.320 0.000 0.000 0.222 511 A C 2.344 179.936 177.584 0.013 0.000 1.199 511 A CA 2.778 54.825 52.037 0.017 0.000 0.657 511 A CB -1.558 17.453 19.000 0.017 0.000 0.823 511 A HN 0.690 nan 8.150 nan 0.000 0.463 512 G N -0.245 108.565 108.800 0.017 0.000 2.587 512 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 512 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 512 G C 1.521 176.427 174.900 0.010 0.000 1.240 512 G CA 1.179 46.287 45.100 0.013 0.000 0.794 512 G HN 0.501 nan 8.290 nan 0.000 0.580 513 L N -0.195 121.035 121.223 0.012 0.000 2.034 513 L HA -0.260 4.080 4.340 0.000 0.000 0.217 513 L C 3.153 180.024 176.870 0.003 0.000 1.077 513 L CA 1.881 56.726 54.840 0.008 0.000 0.769 513 L CB -0.579 41.486 42.059 0.011 0.000 0.890 513 L HN 0.269 nan 8.230 nan 0.000 0.435 514 M N -0.543 119.059 119.600 0.003 0.000 2.159 514 M HA -0.192 4.288 4.480 0.000 0.000 0.263 514 M C 2.211 178.508 176.300 -0.004 0.000 1.063 514 M CA 1.750 57.048 55.300 -0.003 0.000 1.110 514 M CB -0.344 32.255 32.600 -0.002 0.000 1.374 514 M HN 0.229 nan 8.290 nan 0.000 0.411 515 I N -0.405 120.165 120.570 -0.001 0.000 2.830 515 I HA -0.140 4.030 4.170 0.000 0.000 0.263 515 I C 1.307 177.423 176.117 -0.003 0.000 1.230 515 I CA 0.973 62.272 61.300 -0.002 0.000 1.480 515 I CB -0.591 37.409 38.000 0.000 0.000 1.095 515 I HN 0.328 nan 8.210 nan 0.000 0.455 516 T N -2.553 112.000 114.554 -0.003 0.000 3.268 516 T HA 0.280 4.630 4.350 0.000 0.000 0.258 516 T C 0.203 174.900 174.700 -0.006 0.000 0.966 516 T CA -0.404 61.693 62.100 -0.005 0.000 0.952 516 T CB -0.195 68.671 68.868 -0.003 0.000 1.132 516 T HN -0.105 nan 8.240 nan 0.000 0.536 517 T N 1.457 116.007 114.554 -0.007 0.000 2.829 517 T HA 0.458 4.808 4.350 0.000 0.000 0.280 517 T C 0.274 174.972 174.700 -0.003 0.000 0.999 517 T CA -0.641 61.455 62.100 -0.006 0.000 0.983 517 T CB 2.116 70.977 68.868 -0.012 0.000 0.968 517 T HN 0.091 nan 8.240 nan 0.000 0.446 518 E N 0.340 120.544 120.200 0.006 0.000 2.541 518 E HA 0.193 4.543 4.350 0.000 0.000 0.219 518 E C -0.062 176.607 176.600 0.115 0.000 0.922 518 E CA 0.101 56.515 56.400 0.023 0.000 1.095 518 E CB 0.912 30.596 29.700 -0.027 0.000 1.112 518 E HN 0.549 nan 8.360 nan 0.000 0.516 519 C N 0.956 120.325 119.300 0.114 0.000 2.782 519 C HA 0.678 5.138 4.460 0.000 0.000 0.328 519 C C -1.315 173.704 174.990 0.049 0.000 1.145 519 C CA -0.582 58.576 59.018 0.232 0.000 1.358 519 C CB 0.361 28.313 27.740 0.352 0.000 1.841 519 C HN 0.105 nan 8.230 nan 0.000 0.477 520 M N 5.324 124.881 119.600 -0.073 0.000 2.326 520 M HA 0.563 5.043 4.480 0.000 0.000 0.306 520 M C -1.178 175.068 176.300 -0.090 0.000 1.054 520 M CA -0.632 54.566 55.300 -0.169 0.000 0.922 520 M CB 2.135 34.445 32.600 -0.483 0.000 1.632 520 M HN 0.363 nan 8.290 nan 0.000 0.436 521 V N 1.738 121.675 119.914 0.038 0.000 2.419 521 V HA 0.501 4.621 4.120 0.000 0.000 0.287 521 V C -0.364 175.821 176.094 0.151 0.000 1.017 521 V CA -0.314 62.047 62.300 0.102 0.000 0.844 521 V CB 1.781 33.647 31.823 0.071 0.000 1.011 521 V HN 0.970 nan 8.190 nan 0.000 0.429 522 T N 2.420 117.108 114.554 0.223 0.000 2.907 522 T HA 0.488 4.838 4.350 0.000 0.000 0.290 522 T C -0.476 174.243 174.700 0.031 0.000 1.066 522 T CA -0.471 61.708 62.100 0.131 0.000 1.012 522 T CB 1.775 70.734 68.868 0.152 0.000 1.184 522 T HN 0.632 nan 8.240 nan 0.000 0.522 523 D N 0.933 121.329 120.400 -0.006 0.000 2.354 523 D HA 0.296 4.936 4.640 0.000 0.000 0.238 523 D C -0.271 175.985 176.300 -0.073 0.000 1.250 523 D CA -0.032 53.950 54.000 -0.030 0.000 0.911 523 D CB 0.262 41.045 40.800 -0.028 0.000 1.163 523 D HN 0.187 nan 8.370 nan 0.000 0.456 524 L N 2.239 123.423 121.223 -0.065 0.000 2.350 524 L HA 0.282 4.622 4.340 0.000 0.000 0.275 524 L C -1.772 175.043 176.870 -0.090 0.000 1.099 524 L CA -1.918 52.871 54.840 -0.085 0.000 0.808 524 L CB 0.845 42.870 42.059 -0.057 0.000 1.149 524 L HN 0.312 nan 8.230 nan 0.000 0.442 525 P HA -0.068 nan 4.420 nan 0.000 0.314 525 P C -0.825 176.434 177.300 -0.068 0.000 1.521 525 P CA 0.776 63.816 63.100 -0.101 0.000 0.754 525 P CB -0.228 31.403 31.700 -0.116 0.000 1.692 526 K N 0.000 120.366 120.400 -0.057 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.037 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543