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 1pf9_1_L DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.578 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 3 A N 3.419 126.236 122.820 -0.005 0.000 2.477 3 A HA 0.586 4.906 4.320 0.000 0.000 0.246 3 A C 0.380 177.961 177.584 -0.006 0.000 1.078 3 A CA 0.131 52.168 52.037 -0.000 0.000 0.770 3 A CB 0.171 19.175 19.000 0.006 0.000 1.011 3 A HN 0.629 nan 8.150 nan 0.000 0.494 4 K N 1.402 121.801 120.400 -0.002 0.000 2.139 4 K HA 0.414 4.734 4.320 0.000 0.000 0.243 4 K C -1.179 175.430 176.600 0.014 0.000 0.983 4 K CA -0.692 55.588 56.287 -0.013 0.000 0.890 4 K CB 1.328 33.815 32.500 -0.021 0.000 1.090 4 K HN 0.697 nan 8.250 nan 0.000 0.445 5 D N 1.107 121.516 120.400 0.016 0.000 2.381 5 D HA 0.268 4.909 4.640 0.000 0.000 0.235 5 D C -1.219 175.193 176.300 0.186 0.000 1.068 5 D CA -0.603 53.461 54.000 0.107 0.000 0.832 5 D CB 1.081 41.964 40.800 0.139 0.000 1.101 5 D HN 0.079 nan 8.370 nan 0.000 0.515 6 V N 4.178 124.171 119.914 0.133 0.000 2.398 6 V HA 0.454 4.574 4.120 0.000 0.000 0.286 6 V C 0.334 176.387 176.094 -0.070 0.000 1.026 6 V CA -0.734 61.573 62.300 0.011 0.000 0.868 6 V CB 1.467 33.239 31.823 -0.085 0.000 0.982 6 V HN 0.376 nan 8.190 nan 0.000 0.443 7 K N 3.224 123.510 120.400 -0.190 0.000 2.259 7 K HA 0.743 5.063 4.320 0.000 0.000 0.249 7 K C -1.541 174.804 176.600 -0.426 0.000 0.942 7 K CA -0.426 55.674 56.287 -0.312 0.000 0.816 7 K CB 1.904 34.039 32.500 -0.607 0.000 1.155 7 K HN 0.499 nan 8.250 nan 0.000 0.428 8 F N 0.657 120.568 119.950 -0.064 0.000 2.561 8 F HA 0.386 4.913 4.527 0.000 0.000 0.321 8 F C 1.286 177.061 175.800 -0.042 0.000 1.065 8 F CA 0.202 58.183 58.000 -0.033 0.000 0.934 8 F CB 1.934 40.922 39.000 -0.019 0.000 1.215 8 F HN 0.809 nan 8.300 nan 0.000 0.471 9 G N 2.324 111.243 108.800 0.198 0.000 2.699 9 G HA2 -0.502 3.458 3.960 0.000 0.000 0.347 9 G HA3 -0.502 3.458 3.960 0.000 0.000 0.347 9 G C 1.186 176.114 174.900 0.046 0.000 1.225 9 G CA 1.473 46.637 45.100 0.107 0.000 0.973 9 G HN 0.682 nan 8.290 nan 0.000 0.551 10 N N 1.117 119.837 118.700 0.033 0.000 2.058 10 N HA -0.020 4.720 4.740 0.000 0.000 0.191 10 N C 1.898 177.395 175.510 -0.022 0.000 1.037 10 N CA 1.875 54.928 53.050 0.005 0.000 0.848 10 N CB -0.335 38.154 38.487 0.003 0.000 1.021 10 N HN 0.557 nan 8.380 nan 0.000 0.422 11 D N 0.564 120.944 120.400 -0.033 0.000 2.205 11 D HA -0.265 4.375 4.640 0.000 0.000 0.190 11 D C 1.837 178.050 176.300 -0.145 0.000 1.002 11 D CA 1.765 55.708 54.000 -0.094 0.000 0.848 11 D CB -0.992 39.741 40.800 -0.111 0.000 0.975 11 D HN 0.332 nan 8.370 nan 0.000 0.449 12 A N 1.145 123.877 122.820 -0.147 0.000 1.909 12 A HA -0.322 3.998 4.320 0.000 0.000 0.221 12 A C 2.216 179.751 177.584 -0.081 0.000 1.223 12 A CA 2.574 54.517 52.037 -0.157 0.000 0.658 12 A CB -0.739 18.209 19.000 -0.086 0.000 0.831 12 A HN 0.234 nan 8.150 nan 0.000 0.462 13 R N -1.164 119.313 120.500 -0.039 0.000 2.092 13 R HA -0.024 4.316 4.340 0.000 0.000 0.231 13 R C 2.113 178.402 176.300 -0.018 0.000 1.119 13 R CA 1.228 57.320 56.100 -0.014 0.000 0.970 13 R CB -0.644 29.655 30.300 -0.002 0.000 0.864 13 R HN 0.414 nan 8.270 nan 0.000 0.440 14 V N 1.838 121.733 119.914 -0.032 0.000 2.255 14 V HA -0.295 3.825 4.120 0.000 0.000 0.247 14 V C 2.275 178.353 176.094 -0.026 0.000 1.051 14 V CA 1.732 64.015 62.300 -0.028 0.000 1.018 14 V CB -0.389 31.414 31.823 -0.034 0.000 0.641 14 V HN 0.207 nan 8.190 nan 0.000 0.445 15 K N -0.529 119.839 120.400 -0.053 0.000 2.034 15 K HA -0.211 4.109 4.320 0.000 0.000 0.214 15 K C 2.101 178.715 176.600 0.023 0.000 1.051 15 K CA 1.898 58.169 56.287 -0.026 0.000 0.931 15 K CB -0.758 31.689 32.500 -0.089 0.000 0.715 15 K HN 0.410 nan 8.250 nan 0.000 0.446 16 M N 0.008 119.622 119.600 0.023 0.000 2.108 16 M HA -0.209 4.271 4.480 0.000 0.000 0.261 16 M C 2.188 178.504 176.300 0.026 0.000 1.066 16 M CA 1.220 56.543 55.300 0.038 0.000 1.107 16 M CB -0.353 32.267 32.600 0.033 0.000 1.356 16 M HN 0.075 nan 8.290 nan 0.000 0.406 17 L N 0.542 121.773 121.223 0.015 0.000 1.994 17 L HA -0.194 4.146 4.340 0.000 0.000 0.208 17 L C 2.419 179.297 176.870 0.014 0.000 1.071 17 L CA 1.915 56.763 54.840 0.012 0.000 0.745 17 L CB -0.609 41.454 42.059 0.006 0.000 0.892 17 L HN 0.165 nan 8.230 nan 0.000 0.431 18 R N -0.456 120.052 120.500 0.013 0.000 2.083 18 R HA -0.118 4.222 4.340 0.000 0.000 0.237 18 R C 2.228 178.540 176.300 0.019 0.000 1.137 18 R CA 1.256 57.364 56.100 0.014 0.000 0.951 18 R CB -1.302 29.006 30.300 0.013 0.000 0.851 18 R HN 0.591 nan 8.270 nan 0.000 0.434 19 G N 1.230 110.046 108.800 0.028 0.000 2.553 19 G HA2 -0.336 3.624 3.960 0.000 0.000 0.218 19 G HA3 -0.336 3.624 3.960 0.000 0.000 0.218 19 G C 1.484 176.397 174.900 0.021 0.000 1.195 19 G CA 1.327 46.445 45.100 0.030 0.000 0.779 19 G HN 0.327 nan 8.290 nan 0.000 0.577 20 V N 0.896 120.823 119.914 0.021 0.000 2.343 20 V HA -0.215 3.905 4.120 0.000 0.000 0.247 20 V C 2.202 178.304 176.094 0.013 0.000 1.051 20 V CA 2.858 65.168 62.300 0.017 0.000 1.036 20 V CB -0.859 30.974 31.823 0.018 0.000 0.654 20 V HN 0.521 nan 8.190 nan 0.000 0.451 21 N N -0.164 118.543 118.700 0.013 0.000 2.104 21 N HA -0.169 4.572 4.740 0.000 0.000 0.190 21 N C 1.803 177.318 175.510 0.009 0.000 1.024 21 N CA 1.778 54.834 53.050 0.010 0.000 0.853 21 N CB -0.291 38.201 38.487 0.009 0.000 1.008 21 N HN 0.464 nan 8.380 nan 0.000 0.424 22 V N 1.720 121.640 119.914 0.010 0.000 2.287 22 V HA -0.220 3.900 4.120 0.000 0.000 0.248 22 V C 2.233 178.330 176.094 0.006 0.000 1.053 22 V CA 1.298 63.602 62.300 0.008 0.000 1.027 22 V CB -0.582 31.246 31.823 0.009 0.000 0.646 22 V HN 0.400 nan 8.190 nan 0.000 0.447 23 L N 0.082 121.309 121.223 0.007 0.000 1.956 23 L HA -0.256 4.084 4.340 0.000 0.000 0.216 23 L C 2.631 179.503 176.870 0.004 0.000 1.073 23 L CA 2.591 57.434 54.840 0.004 0.000 0.762 23 L CB -0.824 41.238 42.059 0.005 0.000 0.889 23 L HN 0.386 nan 8.230 nan 0.000 0.433 24 A N -0.498 122.326 122.820 0.006 0.000 1.908 24 A HA -0.258 4.062 4.320 0.000 0.000 0.218 24 A C 1.798 179.385 177.584 0.005 0.000 1.181 24 A CA 2.013 54.053 52.037 0.006 0.000 0.627 24 A CB -0.674 18.331 19.000 0.008 0.000 0.818 24 A HN 0.551 nan 8.150 nan 0.000 0.445 25 D N -0.094 120.309 120.400 0.005 0.000 2.178 25 D HA -0.009 4.631 4.640 0.000 0.000 0.201 25 D C 2.100 178.402 176.300 0.004 0.000 0.980 25 D CA 1.387 55.389 54.000 0.005 0.000 0.842 25 D CB -0.285 40.518 40.800 0.005 0.000 0.948 25 D HN 0.458 nan 8.370 nan 0.000 0.472 26 A N 0.228 123.049 122.820 0.003 0.000 1.930 26 A HA -0.029 4.291 4.320 0.000 0.000 0.215 26 A C 2.282 179.866 177.584 0.001 0.000 1.176 26 A CA 0.744 52.782 52.037 0.001 0.000 0.632 26 A CB -0.424 18.576 19.000 0.001 0.000 0.819 26 A HN 0.180 nan 8.150 nan 0.000 0.445 27 V N 0.910 120.824 119.914 0.000 0.000 2.725 27 V HA -0.111 4.009 4.120 0.000 0.000 0.247 27 V C 2.376 178.470 176.094 -0.000 0.000 1.058 27 V CA 2.087 64.386 62.300 -0.001 0.000 1.080 27 V CB -0.403 31.418 31.823 -0.003 0.000 0.713 27 V HN 0.774 nan 8.190 nan 0.000 0.465 28 K N 0.707 121.108 120.400 0.002 0.000 2.288 28 K HA -0.055 4.265 4.320 0.000 0.000 0.201 28 K C 1.599 178.201 176.600 0.004 0.000 1.048 28 K CA 1.767 58.057 56.287 0.004 0.000 0.956 28 K CB -0.536 31.967 32.500 0.006 0.000 0.746 28 K HN 0.500 nan 8.250 nan 0.000 0.461 29 V N -0.025 119.891 119.914 0.003 0.000 3.444 29 V HA -0.060 4.060 4.120 0.000 0.000 0.271 29 V C 1.623 177.719 176.094 0.003 0.000 1.188 29 V CA 1.394 63.697 62.300 0.004 0.000 1.168 29 V CB -1.078 30.747 31.823 0.003 0.000 0.810 29 V HN 0.514 nan 8.190 nan 0.000 0.500 30 T N -3.446 111.109 114.554 0.001 0.000 3.134 30 T HA 0.274 4.624 4.350 0.000 0.000 0.260 30 T C 1.277 175.977 174.700 -0.001 0.000 1.027 30 T CA 0.354 62.453 62.100 -0.000 0.000 0.913 30 T CB 0.596 69.463 68.868 -0.002 0.000 1.046 30 T HN 0.320 nan 8.240 nan 0.000 0.553 31 L N 2.560 123.784 121.223 0.002 0.000 2.023 31 L HA 0.415 4.755 4.340 0.000 0.000 0.205 31 L C 1.573 178.443 176.870 0.000 0.000 1.073 31 L CA 1.303 56.144 54.840 0.002 0.000 0.745 31 L CB -1.249 40.813 42.059 0.006 0.000 0.900 31 L HN 0.393 nan 8.230 nan 0.000 0.435 32 G N -0.650 108.152 108.800 0.003 0.000 2.661 32 G HA2 0.093 4.053 3.960 0.000 0.000 0.272 32 G HA3 0.093 4.053 3.960 0.000 0.000 0.272 32 G C -1.617 173.276 174.900 -0.011 0.000 1.296 32 G CA 0.127 45.226 45.100 -0.001 0.000 0.998 32 G HN 0.381 nan 8.290 nan 0.000 0.553 33 P HA 0.049 nan 4.420 nan 0.000 0.234 33 P C 0.397 177.683 177.300 -0.024 0.000 1.167 33 P CA 1.044 64.126 63.100 -0.029 0.000 0.763 33 P CB 0.374 32.045 31.700 -0.048 0.000 0.835 34 K N 0.335 120.725 120.400 -0.016 0.000 3.239 34 K HA 0.315 4.636 4.320 0.000 0.000 0.204 34 K C 0.708 177.307 176.600 -0.003 0.000 1.126 34 K CA -0.394 55.887 56.287 -0.011 0.000 0.948 34 K CB 0.918 33.412 32.500 -0.010 0.000 0.818 34 K HN -0.004 nan 8.250 nan 0.000 0.480 35 G N 0.841 109.638 108.800 -0.004 0.000 2.667 35 G HA2 0.140 4.100 3.960 0.000 0.000 0.250 35 G HA3 0.140 4.100 3.960 0.000 0.000 0.250 35 G C 0.104 175.004 174.900 -0.001 0.000 1.212 35 G CA -0.451 44.648 45.100 -0.001 0.000 0.874 35 G HN 0.149 nan 8.290 nan 0.000 0.561 36 R N -0.232 120.268 120.500 0.001 0.000 2.608 36 R HA 0.290 4.630 4.340 0.000 0.000 0.255 36 R C 0.106 176.406 176.300 -0.000 0.000 1.086 36 R CA -0.735 55.366 56.100 0.001 0.000 1.125 36 R CB 0.454 30.755 30.300 0.002 0.000 1.193 36 R HN 0.644 nan 8.270 nan 0.000 0.553 37 N N -0.021 118.678 118.700 -0.000 0.000 2.487 37 N HA 0.288 5.029 4.740 0.000 0.000 0.292 37 N C -0.672 174.837 175.510 -0.000 0.000 1.108 37 N CA -0.504 52.546 53.050 -0.000 0.000 0.956 37 N CB 1.881 40.368 38.487 -0.000 0.000 1.176 37 N HN 0.061 nan 8.380 nan 0.000 0.484 38 V N 1.640 121.554 119.914 -0.000 0.000 2.513 38 V HA 0.269 4.389 4.120 0.000 0.000 0.299 38 V C 0.108 176.202 176.094 -0.000 0.000 1.035 38 V CA -0.821 61.479 62.300 -0.000 0.000 0.889 38 V CB 2.016 33.839 31.823 -0.001 0.000 0.988 38 V HN 0.350 nan 8.190 nan 0.000 0.440 39 V N 6.030 125.944 119.914 -0.000 0.000 2.407 39 V HA 0.411 4.531 4.120 0.000 0.000 0.278 39 V C -0.489 175.605 176.094 0.000 0.000 1.037 39 V CA -0.508 61.792 62.300 0.000 0.000 0.900 39 V CB 1.391 33.214 31.823 -0.000 0.000 0.983 39 V HN 0.495 nan 8.190 nan 0.000 0.459 40 L N 4.342 125.566 121.223 0.001 0.000 2.318 40 L HA 0.489 4.829 4.340 0.000 0.000 0.277 40 L C 0.008 176.880 176.870 0.003 0.000 1.008 40 L CA -0.352 54.489 54.840 0.002 0.000 0.846 40 L CB 0.970 43.031 42.059 0.003 0.000 1.220 40 L HN 0.589 nan 8.230 nan 0.000 0.423 41 D N 3.216 123.616 120.400 0.000 0.000 2.419 41 D HA 0.123 4.763 4.640 0.000 0.000 0.236 41 D C -0.130 176.174 176.300 0.006 0.000 1.165 41 D CA 0.591 54.591 54.000 -0.001 0.000 0.882 41 D CB 0.806 41.600 40.800 -0.010 0.000 1.201 41 D HN 0.242 nan 8.370 nan 0.000 0.443 42 K N 1.305 121.712 120.400 0.012 0.000 2.535 42 K HA 0.187 4.507 4.320 0.000 0.000 0.250 42 K C 0.723 177.343 176.600 0.032 0.000 0.948 42 K CA -0.481 55.828 56.287 0.036 0.000 0.796 42 K CB 1.271 33.801 32.500 0.051 0.000 1.216 42 K HN 0.378 nan 8.250 nan 0.000 0.432 43 S N 2.831 118.550 115.700 0.031 0.000 2.389 43 S HA -0.165 4.305 4.470 0.000 0.000 0.229 43 S C 0.641 175.111 174.600 -0.217 0.000 1.048 43 S CA 1.499 59.622 58.200 -0.127 0.000 1.117 43 S CB -0.350 62.742 63.200 -0.180 0.000 1.020 43 S HN 0.469 nan 8.310 nan 0.000 0.430 44 F N 1.162 121.111 119.950 -0.002 0.000 2.397 44 F HA 0.619 5.146 4.527 0.000 0.000 0.331 44 F C 1.202 177.001 175.800 -0.002 0.000 1.090 44 F CA -0.165 57.834 58.000 -0.002 0.000 1.065 44 F CB 0.363 39.362 39.000 -0.001 0.000 1.184 44 F HN 0.498 nan 8.300 nan 0.000 0.499 45 G N 0.524 109.422 108.800 0.163 0.000 2.693 45 G HA2 0.216 4.176 3.960 0.000 0.000 0.226 45 G HA3 0.216 4.176 3.960 0.000 0.000 0.226 45 G C -0.729 174.203 174.900 0.053 0.000 1.354 45 G CA -0.691 44.466 45.100 0.095 0.000 0.873 45 G HN 1.161 nan 8.290 nan 0.000 0.562 46 A N 1.066 123.910 122.820 0.040 0.000 2.322 46 A HA 0.809 5.129 4.320 0.000 0.000 0.269 46 A C -0.767 176.830 177.584 0.022 0.000 1.094 46 A CA -0.062 51.989 52.037 0.024 0.000 0.807 46 A CB 0.009 19.020 19.000 0.019 0.000 1.047 46 A HN 0.939 nan 8.150 nan 0.000 0.487 47 P HA 0.250 nan 4.420 nan 0.000 0.274 47 P C -0.374 176.933 177.300 0.012 0.000 1.260 47 P CA -0.054 63.053 63.100 0.011 0.000 0.793 47 P CB 0.338 32.041 31.700 0.005 0.000 1.048 48 T N 0.808 115.368 114.554 0.010 0.000 2.770 48 T HA 0.498 4.848 4.350 0.000 0.000 0.283 48 T C 0.154 174.857 174.700 0.005 0.000 0.988 48 T CA -0.346 61.759 62.100 0.008 0.000 0.957 48 T CB -0.088 68.786 68.868 0.009 0.000 0.930 48 T HN 0.159 nan 8.240 nan 0.000 0.443 49 I N 3.030 123.602 120.570 0.004 0.000 2.331 49 I HA 0.514 4.684 4.170 0.000 0.000 0.292 49 I C 0.569 176.687 176.117 0.001 0.000 0.998 49 I CA -0.431 60.870 61.300 0.002 0.000 1.267 49 I CB 1.530 39.531 38.000 0.002 0.000 1.386 49 I HN 0.442 nan 8.210 nan 0.000 0.476 50 T N 4.468 119.022 114.554 0.000 0.000 2.894 50 T HA 0.353 4.703 4.350 0.000 0.000 0.309 50 T C -0.089 174.610 174.700 -0.002 0.000 1.208 50 T CA -0.600 61.499 62.100 -0.001 0.000 1.016 50 T CB 1.680 70.548 68.868 -0.000 0.000 1.192 50 T HN 0.674 nan 8.240 nan 0.000 0.491 51 K N 1.394 121.793 120.400 -0.003 0.000 2.438 51 K HA 0.198 4.518 4.320 0.000 0.000 0.205 51 K C -0.622 175.976 176.600 -0.004 0.000 1.033 51 K CA -0.241 56.044 56.287 -0.003 0.000 1.089 51 K CB 0.524 33.022 32.500 -0.004 0.000 0.857 51 K HN 0.398 nan 8.250 nan 0.000 0.522 52 D N 0.093 120.491 120.400 -0.004 0.000 2.443 52 D HA 0.114 4.754 4.640 0.000 0.000 0.221 52 D C 1.119 177.415 176.300 -0.007 0.000 1.097 52 D CA -0.310 53.687 54.000 -0.006 0.000 0.865 52 D CB 1.271 42.068 40.800 -0.005 0.000 1.034 52 D HN 0.205 nan 8.370 nan 0.000 0.511 53 G N 2.500 111.296 108.800 -0.008 0.000 2.507 53 G HA2 -0.244 3.716 3.960 0.000 0.000 0.221 53 G HA3 -0.244 3.716 3.960 0.000 0.000 0.221 53 G C 1.503 176.396 174.900 -0.012 0.000 1.119 53 G CA 0.802 45.896 45.100 -0.009 0.000 0.751 53 G HN 0.478 nan 8.290 nan 0.000 0.574 54 V N 0.644 120.549 119.914 -0.015 0.000 2.358 54 V HA -0.167 3.953 4.120 0.000 0.000 0.246 54 V C 3.089 179.175 176.094 -0.014 0.000 1.047 54 V CA 2.180 64.469 62.300 -0.018 0.000 1.035 54 V CB -0.405 31.405 31.823 -0.021 0.000 0.658 54 V HN 0.384 nan 8.190 nan 0.000 0.452 55 S N -0.179 115.515 115.700 -0.010 0.000 2.353 55 S HA -0.184 4.286 4.470 0.000 0.000 0.222 55 S C 2.011 176.607 174.600 -0.007 0.000 1.035 55 S CA 1.659 59.855 58.200 -0.007 0.000 1.025 55 S CB -0.253 62.944 63.200 -0.005 0.000 0.902 55 S HN 0.371 nan 8.310 nan 0.000 0.440 56 V N 2.270 122.180 119.914 -0.006 0.000 2.233 56 V HA -0.275 3.845 4.120 0.000 0.000 0.247 56 V C 2.686 178.776 176.094 -0.007 0.000 1.050 56 V CA 1.893 64.189 62.300 -0.005 0.000 1.010 56 V CB -1.434 30.387 31.823 -0.004 0.000 0.637 56 V HN 0.555 nan 8.190 nan 0.000 0.444 57 A N 0.215 123.030 122.820 -0.009 0.000 1.896 57 A HA -0.376 3.944 4.320 0.000 0.000 0.220 57 A C 2.381 179.958 177.584 -0.012 0.000 1.206 57 A CA 2.773 54.803 52.037 -0.011 0.000 0.647 57 A CB -0.792 18.199 19.000 -0.015 0.000 0.828 57 A HN 0.550 nan 8.150 nan 0.000 0.455 58 R N -0.805 119.687 120.500 -0.013 0.000 2.154 58 R HA -0.222 4.118 4.340 0.000 0.000 0.248 58 R C 1.707 178.001 176.300 -0.011 0.000 1.155 58 R CA 1.985 58.077 56.100 -0.014 0.000 0.979 58 R CB -0.193 30.099 30.300 -0.014 0.000 0.869 58 R HN 0.460 nan 8.270 nan 0.000 0.452 59 E N -0.096 120.099 120.200 -0.008 0.000 2.371 59 E HA 0.076 4.426 4.350 0.000 0.000 0.194 59 E C -0.151 176.446 176.600 -0.006 0.000 1.012 59 E CA 0.182 56.578 56.400 -0.006 0.000 0.860 59 E CB 0.235 29.933 29.700 -0.004 0.000 0.811 59 E HN 0.213 nan 8.360 nan 0.000 0.502 60 I N 2.162 122.728 120.570 -0.006 0.000 2.436 60 I HA 0.140 4.310 4.170 0.000 0.000 0.289 60 I C 0.200 176.314 176.117 -0.005 0.000 1.083 60 I CA 0.277 61.574 61.300 -0.004 0.000 1.372 60 I CB 0.053 38.051 38.000 -0.003 0.000 1.408 60 I HN 0.051 nan 8.210 nan 0.000 0.516 61 E N 7.622 127.820 120.200 -0.004 0.000 2.311 61 E HA 0.520 4.870 4.350 0.000 0.000 0.281 61 E C -1.830 174.769 176.600 -0.002 0.000 0.905 61 E CA -0.610 55.787 56.400 -0.004 0.000 0.778 61 E CB 1.810 31.505 29.700 -0.008 0.000 1.240 61 E HN 0.450 nan 8.360 nan 0.000 0.410 62 L N 3.077 124.301 121.223 0.001 0.000 2.358 62 L HA 0.439 4.779 4.340 0.000 0.000 0.268 62 L C 1.490 178.362 176.870 0.005 0.000 1.032 62 L CA -0.634 54.210 54.840 0.006 0.000 0.805 62 L CB 1.252 43.320 42.059 0.015 0.000 1.253 62 L HN 0.736 nan 8.230 nan 0.000 0.452 63 E N 0.062 120.267 120.200 0.009 0.000 2.051 63 E HA -0.143 4.207 4.350 0.000 0.000 0.189 63 E C 0.376 176.984 176.600 0.014 0.000 0.979 63 E CA 0.315 56.719 56.400 0.007 0.000 0.803 63 E CB 0.293 29.999 29.700 0.009 0.000 0.761 63 E HN 0.621 nan 8.360 nan 0.000 0.451 64 D N 1.911 122.332 120.400 0.034 0.000 2.349 64 D HA -0.036 4.604 4.640 0.000 0.000 0.266 64 D C -0.413 175.925 176.300 0.062 0.000 1.293 64 D CA 0.156 54.197 54.000 0.068 0.000 0.926 64 D CB 0.450 41.302 40.800 0.088 0.000 1.090 64 D HN 0.100 nan 8.370 nan 0.000 0.502 65 K N 2.760 123.163 120.400 0.004 0.000 2.229 65 K HA 0.023 4.343 4.320 0.000 0.000 0.250 65 K C 0.790 177.389 176.600 -0.002 0.000 1.016 65 K CA -0.436 55.788 56.287 -0.105 0.000 0.866 65 K CB 0.634 32.968 32.500 -0.277 0.000 1.028 65 K HN 0.377 nan 8.250 nan 0.000 0.514 66 F N -1.299 118.640 119.950 -0.019 0.000 2.529 66 F HA -0.364 4.163 4.527 0.000 0.000 0.744 66 F C 2.010 177.801 175.800 -0.015 0.000 0.485 66 F CA 1.896 59.883 58.000 -0.021 0.000 0.764 66 F CB -1.397 37.590 39.000 -0.022 0.000 1.616 66 F HN 0.757 nan 8.300 nan 0.000 0.276 67 E N 0.204 120.539 120.200 0.226 0.000 2.070 67 E HA -0.294 4.056 4.350 0.000 0.000 0.197 67 E C 1.648 178.290 176.600 0.070 0.000 1.004 67 E CA 1.797 58.263 56.400 0.109 0.000 0.805 67 E CB -0.348 29.402 29.700 0.083 0.000 0.744 67 E HN 0.477 nan 8.360 nan 0.000 0.451 68 N N 0.014 118.746 118.700 0.053 0.000 2.069 68 N HA -0.183 4.558 4.740 0.000 0.000 0.191 68 N C 1.751 177.270 175.510 0.015 0.000 1.031 68 N CA 1.625 54.687 53.050 0.019 0.000 0.852 68 N CB -0.038 38.447 38.487 -0.005 0.000 1.018 68 N HN 0.118 nan 8.380 nan 0.000 0.423 69 M N -0.654 118.956 119.600 0.017 0.000 2.149 69 M HA -0.078 4.402 4.480 0.000 0.000 0.261 69 M C 2.196 178.514 176.300 0.030 0.000 1.064 69 M CA 1.625 56.933 55.300 0.014 0.000 1.102 69 M CB -0.713 31.898 32.600 0.018 0.000 1.369 69 M HN 0.328 nan 8.290 nan 0.000 0.408 70 G N 0.323 109.152 108.800 0.048 0.000 2.511 70 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 70 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 70 G C 1.639 176.554 174.900 0.026 0.000 1.218 70 G CA 1.251 46.374 45.100 0.040 0.000 0.788 70 G HN 0.542 nan 8.290 nan 0.000 0.560 71 A N -0.307 122.526 122.820 0.022 0.000 1.883 71 A HA -0.133 4.187 4.320 0.000 0.000 0.217 71 A C 2.416 180.004 177.584 0.007 0.000 1.186 71 A CA 2.241 54.286 52.037 0.013 0.000 0.624 71 A CB -0.471 18.536 19.000 0.011 0.000 0.822 71 A HN 0.335 nan 8.150 nan 0.000 0.444 72 Q N -0.889 118.913 119.800 0.005 0.000 2.170 72 Q HA -0.098 4.242 4.340 0.000 0.000 0.203 72 Q C 2.114 178.114 176.000 -0.000 0.000 0.976 72 Q CA 1.549 57.351 55.803 -0.002 0.000 0.858 72 Q CB -0.486 28.248 28.738 -0.007 0.000 0.907 72 Q HN 0.795 nan 8.270 nan 0.000 0.433 73 M N -0.679 118.926 119.600 0.008 0.000 2.067 73 M HA -0.160 4.320 4.480 0.000 0.000 0.260 73 M C 2.223 178.531 176.300 0.013 0.000 1.069 73 M CA 1.178 56.486 55.300 0.013 0.000 1.117 73 M CB -0.291 32.321 32.600 0.021 0.000 1.334 73 M HN -0.035 nan 8.290 nan 0.000 0.407 74 V N 0.428 120.350 119.914 0.013 0.000 2.255 74 V HA -0.315 3.805 4.120 0.000 0.000 0.247 74 V C 2.189 178.280 176.094 -0.004 0.000 1.051 74 V CA 1.888 64.195 62.300 0.012 0.000 1.018 74 V CB -0.765 31.066 31.823 0.013 0.000 0.641 74 V HN 0.433 nan 8.190 nan 0.000 0.445 75 K N -0.368 120.026 120.400 -0.009 0.000 2.077 75 K HA -0.299 4.022 4.320 0.000 0.000 0.213 75 K C 2.299 178.878 176.600 -0.036 0.000 1.051 75 K CA 2.176 58.450 56.287 -0.022 0.000 0.929 75 K CB -0.257 32.232 32.500 -0.017 0.000 0.715 75 K HN 0.533 nan 8.250 nan 0.000 0.451 76 E N 0.293 120.476 120.200 -0.028 0.000 2.051 76 E HA -0.177 4.173 4.350 0.000 0.000 0.192 76 E C 1.989 178.546 176.600 -0.073 0.000 0.991 76 E CA 1.125 57.502 56.400 -0.038 0.000 0.799 76 E CB 0.123 29.813 29.700 -0.015 0.000 0.748 76 E HN 0.095 nan 8.360 nan 0.000 0.449 77 V N 0.407 120.289 119.914 -0.053 0.000 2.488 77 V HA -0.097 4.023 4.120 0.000 0.000 0.246 77 V C 2.174 178.131 176.094 -0.228 0.000 1.046 77 V CA 1.544 63.798 62.300 -0.077 0.000 1.053 77 V CB -0.037 31.832 31.823 0.077 0.000 0.679 77 V HN 0.386 nan 8.190 nan 0.000 0.458 78 A N -0.720 122.027 122.820 -0.123 0.000 1.969 78 A HA -0.185 4.135 4.320 0.000 0.000 0.218 78 A C 2.536 180.012 177.584 -0.181 0.000 1.169 78 A CA 2.043 54.004 52.037 -0.127 0.000 0.635 78 A CB -0.712 18.255 19.000 -0.055 0.000 0.810 78 A HN 0.610 nan 8.150 nan 0.000 0.445 79 S N -0.313 115.288 115.700 -0.164 0.000 2.406 79 S HA -0.138 4.332 4.470 0.000 0.000 0.228 79 S C 1.931 176.399 174.600 -0.219 0.000 1.020 79 S CA 1.442 59.551 58.200 -0.151 0.000 0.965 79 S CB -0.317 62.823 63.200 -0.099 0.000 0.798 79 S HN 0.577 nan 8.310 nan 0.000 0.488 80 K N 1.062 121.257 120.400 -0.342 0.000 2.057 80 K HA 0.026 4.346 4.320 0.000 0.000 0.206 80 K C 2.519 178.747 176.600 -0.621 0.000 1.050 80 K CA 1.063 57.069 56.287 -0.470 0.000 0.935 80 K CB -0.562 31.554 32.500 -0.641 0.000 0.715 80 K HN 0.481 nan 8.250 nan 0.000 0.439 81 A N 2.634 124.977 122.820 -0.795 0.000 1.859 81 A HA -0.278 4.042 4.320 0.000 0.000 0.217 81 A C 2.074 179.550 177.584 -0.180 0.000 1.198 81 A CA 1.998 53.791 52.037 -0.408 0.000 0.629 81 A CB -0.921 17.974 19.000 -0.175 0.000 0.830 81 A HN 0.360 nan 8.150 nan 0.000 0.446 82 N N -0.095 118.500 118.700 -0.174 0.000 2.137 82 N HA -0.209 4.532 4.740 0.000 0.000 0.190 82 N C 1.210 176.638 175.510 -0.137 0.000 1.017 82 N CA 1.873 54.839 53.050 -0.140 0.000 0.859 82 N CB -0.416 37.995 38.487 -0.127 0.000 1.002 82 N HN 0.417 nan 8.380 nan 0.000 0.428 83 D N 0.244 120.563 120.400 -0.135 0.000 2.123 83 D HA -0.094 4.546 4.640 0.000 0.000 0.196 83 D C 1.498 177.769 176.300 -0.048 0.000 0.992 83 D CA 1.364 55.312 54.000 -0.087 0.000 0.833 83 D CB -0.186 40.561 40.800 -0.088 0.000 0.954 83 D HN 0.441 nan 8.370 nan 0.000 0.455 84 A N -0.465 122.335 122.820 -0.033 0.000 2.147 84 A HA 0.416 4.736 4.320 0.000 0.000 0.211 84 A C 1.877 179.475 177.584 0.023 0.000 1.160 84 A CA 1.201 53.256 52.037 0.030 0.000 0.781 84 A CB 0.318 19.383 19.000 0.109 0.000 0.842 84 A HN 0.214 nan 8.150 nan 0.000 0.475 85 A N -2.599 120.212 122.820 -0.016 0.000 1.997 85 A HA 0.493 4.813 4.320 0.000 0.000 0.198 85 A C 1.639 179.173 177.584 -0.083 0.000 1.449 85 A CA 1.233 53.258 52.037 -0.019 0.000 0.908 85 A CB 0.013 19.014 19.000 0.002 0.000 0.984 85 A HN 1.643 nan 8.150 nan 0.000 0.487 86 G N -1.538 107.148 108.800 -0.190 0.000 2.229 86 G HA2 0.001 3.961 3.960 0.000 0.000 0.189 86 G HA3 0.001 3.961 3.960 0.000 0.000 0.189 86 G C -0.345 174.384 174.900 -0.285 0.000 1.000 86 G CA 0.399 45.248 45.100 -0.418 0.000 0.663 86 G HN 0.704 nan 8.290 nan 0.000 0.493 87 D N -2.332 117.975 120.400 -0.154 0.000 2.725 87 D HA 0.545 5.185 4.640 0.000 0.000 0.292 87 D C 0.945 177.206 176.300 -0.064 0.000 1.288 87 D CA 1.023 54.965 54.000 -0.096 0.000 0.784 87 D CB 0.720 41.482 40.800 -0.064 0.000 1.308 87 D HN 1.305 nan 8.370 nan 0.000 0.429 88 G N -0.438 108.335 108.800 -0.045 0.000 2.218 88 G HA2 -0.300 3.660 3.960 0.000 0.000 0.216 88 G HA3 -0.300 3.660 3.960 0.000 0.000 0.216 88 G C 1.119 176.002 174.900 -0.028 0.000 0.994 88 G CA 1.040 46.125 45.100 -0.024 0.000 0.637 88 G HN 0.584 nan 8.290 nan 0.000 0.505 89 T N 1.154 115.679 114.554 -0.048 0.000 2.635 89 T HA -0.290 4.060 4.350 0.000 0.000 0.265 89 T C 2.351 177.033 174.700 -0.031 0.000 1.058 89 T CA 2.833 64.903 62.100 -0.051 0.000 1.162 89 T CB -0.972 67.863 68.868 -0.055 0.000 0.859 89 T HN 0.547 nan 8.240 nan 0.000 0.449 90 T N 1.440 115.980 114.554 -0.022 0.000 2.737 90 T HA -0.089 4.261 4.350 0.000 0.000 0.265 90 T C 2.363 177.061 174.700 -0.004 0.000 1.038 90 T CA 1.641 63.734 62.100 -0.012 0.000 1.144 90 T CB -0.813 68.049 68.868 -0.009 0.000 0.866 90 T HN 0.435 nan 8.240 nan 0.000 0.434 91 T N 2.085 116.638 114.554 -0.001 0.000 2.652 91 T HA -0.076 4.274 4.350 0.000 0.000 0.267 91 T C 2.406 177.115 174.700 0.015 0.000 1.039 91 T CA 1.311 63.416 62.100 0.008 0.000 1.153 91 T CB -0.686 68.188 68.868 0.010 0.000 0.863 91 T HN 0.429 nan 8.240 nan 0.000 0.428 92 A N 1.253 124.083 122.820 0.016 0.000 1.903 92 A HA -0.221 4.099 4.320 0.000 0.000 0.219 92 A C 2.553 180.151 177.584 0.024 0.000 1.191 92 A CA 2.551 54.606 52.037 0.030 0.000 0.638 92 A CB -1.477 17.539 19.000 0.027 0.000 0.823 92 A HN 0.508 nan 8.150 nan 0.000 0.451 93 T N -0.373 114.186 114.554 0.009 0.000 2.684 93 T HA -0.145 4.205 4.350 0.000 0.000 0.267 93 T C 1.864 176.572 174.700 0.012 0.000 1.036 93 T CA 1.697 63.802 62.100 0.008 0.000 1.148 93 T CB -0.530 68.338 68.868 -0.000 0.000 0.863 93 T HN 0.183 nan 8.240 nan 0.000 0.436 94 V N 1.195 121.116 119.914 0.012 0.000 2.407 94 V HA -0.104 4.016 4.120 0.000 0.000 0.248 94 V C 2.428 178.531 176.094 0.016 0.000 1.055 94 V CA 1.458 63.766 62.300 0.013 0.000 1.049 94 V CB -0.617 31.213 31.823 0.012 0.000 0.662 94 V HN 0.417 nan 8.190 nan 0.000 0.455 95 L N -0.196 121.039 121.223 0.020 0.000 2.095 95 L HA -0.037 4.303 4.340 0.000 0.000 0.204 95 L C 2.738 179.623 176.870 0.024 0.000 1.080 95 L CA 1.248 56.102 54.840 0.023 0.000 0.759 95 L CB -0.775 41.301 42.059 0.028 0.000 0.914 95 L HN 0.319 nan 8.230 nan 0.000 0.439 96 A N -0.262 122.574 122.820 0.028 0.000 1.892 96 A HA -0.335 3.985 4.320 0.000 0.000 0.218 96 A C 2.270 179.868 177.584 0.022 0.000 1.188 96 A CA 2.218 54.273 52.037 0.029 0.000 0.631 96 A CB -0.721 18.297 19.000 0.031 0.000 0.822 96 A HN 0.513 nan 8.150 nan 0.000 0.447 97 Q N -0.617 119.194 119.800 0.018 0.000 2.061 97 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 97 Q C 2.242 178.250 176.000 0.014 0.000 0.984 97 Q CA 1.886 57.698 55.803 0.015 0.000 0.846 97 Q CB -0.391 28.355 28.738 0.013 0.000 0.902 97 Q HN 0.607 nan 8.270 nan 0.000 0.421 98 A N 0.742 123.571 122.820 0.015 0.000 1.883 98 A HA -0.204 4.116 4.320 0.000 0.000 0.217 98 A C 1.984 179.576 177.584 0.013 0.000 1.186 98 A CA 1.739 53.784 52.037 0.013 0.000 0.624 98 A CB -0.724 18.285 19.000 0.014 0.000 0.822 98 A HN 0.494 nan 8.150 nan 0.000 0.444 99 I N -0.477 120.102 120.570 0.015 0.000 2.202 99 I HA -0.207 3.963 4.170 0.000 0.000 0.242 99 I C 2.280 178.405 176.117 0.013 0.000 1.091 99 I CA 1.213 62.522 61.300 0.014 0.000 1.368 99 I CB -0.359 37.651 38.000 0.016 0.000 1.058 99 I HN 0.264 nan 8.210 nan 0.000 0.410 100 I N 0.403 120.982 120.570 0.015 0.000 2.286 100 I HA -0.267 3.903 4.170 0.000 0.000 0.248 100 I C 2.544 178.668 176.117 0.012 0.000 1.115 100 I CA 1.473 62.782 61.300 0.015 0.000 1.392 100 I CB -0.663 37.347 38.000 0.017 0.000 1.065 100 I HN 0.274 nan 8.210 nan 0.000 0.418 101 T N 0.156 114.717 114.554 0.011 0.000 2.643 101 T HA -0.158 4.192 4.350 0.000 0.000 0.264 101 T C 1.857 176.562 174.700 0.008 0.000 1.045 101 T CA 1.296 63.401 62.100 0.009 0.000 1.155 101 T CB -0.132 68.741 68.868 0.008 0.000 0.863 101 T HN 0.283 nan 8.240 nan 0.000 0.420 102 E N 0.451 120.656 120.200 0.008 0.000 2.112 102 E HA 0.044 4.394 4.350 0.000 0.000 0.190 102 E C 2.553 179.158 176.600 0.007 0.000 0.979 102 E CA 0.804 57.208 56.400 0.007 0.000 0.814 102 E CB -0.660 29.044 29.700 0.007 0.000 0.762 102 E HN 0.538 nan 8.360 nan 0.000 0.460 103 G N 1.195 110.000 108.800 0.008 0.000 2.418 103 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 103 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 103 G C 1.518 176.422 174.900 0.008 0.000 1.158 103 G CA 0.326 45.431 45.100 0.008 0.000 0.771 103 G HN 0.160 nan 8.290 nan 0.000 0.545 104 L N 0.309 121.537 121.223 0.008 0.000 2.217 104 L HA 0.195 4.535 4.340 0.000 0.000 0.211 104 L C 2.648 179.521 176.870 0.005 0.000 1.107 104 L CA 1.262 56.106 54.840 0.007 0.000 0.783 104 L CB -0.454 41.610 42.059 0.008 0.000 0.919 104 L HN 0.162 nan 8.230 nan 0.000 0.442 105 K N -1.084 119.319 120.400 0.005 0.000 2.025 105 K HA -0.093 4.227 4.320 0.000 0.000 0.207 105 K C 2.138 178.740 176.600 0.003 0.000 1.049 105 K CA 1.247 57.536 56.287 0.003 0.000 0.933 105 K CB -0.260 32.242 32.500 0.003 0.000 0.714 105 K HN 0.312 nan 8.250 nan 0.000 0.438 106 A N 1.213 124.035 122.820 0.004 0.000 1.892 106 A HA -0.204 4.116 4.320 0.000 0.000 0.218 106 A C 2.345 179.931 177.584 0.004 0.000 1.188 106 A CA 2.251 54.290 52.037 0.004 0.000 0.631 106 A CB -1.185 17.818 19.000 0.004 0.000 0.822 106 A HN 0.275 nan 8.150 nan 0.000 0.447 107 V N -1.854 118.063 119.914 0.005 0.000 2.407 107 V HA -0.072 4.048 4.120 0.000 0.000 0.248 107 V C 2.405 178.502 176.094 0.005 0.000 1.055 107 V CA 2.392 64.695 62.300 0.006 0.000 1.049 107 V CB -1.096 30.732 31.823 0.009 0.000 0.662 107 V HN 0.625 nan 8.190 nan 0.000 0.455 108 A N -0.121 122.701 122.820 0.004 0.000 2.119 108 A HA 0.440 4.760 4.320 0.000 0.000 0.216 108 A C 2.334 179.919 177.584 0.001 0.000 1.152 108 A CA 1.375 53.413 52.037 0.002 0.000 0.708 108 A CB -0.694 18.307 19.000 0.001 0.000 0.805 108 A HN 1.044 nan 8.150 nan 0.000 0.460 109 A N -1.585 121.236 122.820 0.002 0.000 2.123 109 A HA 0.413 4.733 4.320 0.000 0.000 0.214 109 A C 1.639 179.223 177.584 0.001 0.000 1.152 109 A CA 1.257 53.294 52.037 0.001 0.000 0.728 109 A CB -0.529 18.472 19.000 0.001 0.000 0.814 109 A HN 1.760 nan 8.150 nan 0.000 0.464 110 G N -1.615 107.186 108.800 0.002 0.000 2.151 110 G HA2 -0.150 3.810 3.960 0.000 0.000 0.156 110 G HA3 -0.150 3.810 3.960 0.000 0.000 0.156 110 G C -0.003 174.898 174.900 0.002 0.000 1.017 110 G CA 0.096 45.197 45.100 0.001 0.000 0.686 110 G HN 0.311 nan 8.290 nan 0.000 0.503 111 M N 0.174 119.775 119.600 0.003 0.000 2.371 111 M HA 0.365 4.845 4.480 0.000 0.000 0.301 111 M C 0.609 176.912 176.300 0.004 0.000 1.173 111 M CA -0.832 54.469 55.300 0.003 0.000 1.020 111 M CB 0.665 33.267 32.600 0.003 0.000 1.490 111 M HN 0.108 nan 8.290 nan 0.000 0.485 112 N N 1.706 120.408 118.700 0.004 0.000 2.401 112 N HA 0.142 4.882 4.740 0.000 0.000 0.255 112 N C -2.142 173.372 175.510 0.006 0.000 1.110 112 N CA -1.391 51.662 53.050 0.005 0.000 0.949 112 N CB 1.137 39.627 38.487 0.004 0.000 1.110 112 N HN 0.251 nan 8.380 nan 0.000 0.490 113 P HA -0.129 nan 4.420 nan 0.000 0.216 113 P C 1.368 178.673 177.300 0.008 0.000 1.153 113 P CA 1.256 64.362 63.100 0.009 0.000 0.858 113 P CB 0.270 31.977 31.700 0.013 0.000 0.789 114 M N -0.961 118.644 119.600 0.008 0.000 2.254 114 M HA -0.098 4.382 4.480 0.000 0.000 0.265 114 M C 1.420 177.723 176.300 0.005 0.000 1.066 114 M CA 1.612 56.916 55.300 0.007 0.000 1.123 114 M CB -0.810 31.794 32.600 0.007 0.000 1.388 114 M HN -0.202 nan 8.290 nan 0.000 0.425 115 D N -0.297 120.106 120.400 0.004 0.000 2.117 115 D HA -0.103 4.538 4.640 0.000 0.000 0.198 115 D C 2.055 178.357 176.300 0.003 0.000 0.982 115 D CA 1.244 55.246 54.000 0.003 0.000 0.828 115 D CB -0.263 40.539 40.800 0.003 0.000 0.967 115 D HN 0.340 nan 8.370 nan 0.000 0.464 116 L N 0.833 122.059 121.223 0.004 0.000 2.012 116 L HA -0.205 4.135 4.340 0.000 0.000 0.210 116 L C 2.575 179.448 176.870 0.004 0.000 1.073 116 L CA 1.240 56.082 54.840 0.005 0.000 0.748 116 L CB -0.397 41.665 42.059 0.006 0.000 0.891 116 L HN -0.001 nan 8.230 nan 0.000 0.431 117 K N 0.338 120.741 120.400 0.005 0.000 2.009 117 K HA -0.249 4.071 4.320 0.000 0.000 0.210 117 K C 2.303 178.903 176.600 0.001 0.000 1.049 117 K CA 1.535 57.824 56.287 0.004 0.000 0.929 117 K CB -0.064 32.439 32.500 0.004 0.000 0.714 117 K HN 0.040 nan 8.250 nan 0.000 0.440 118 R N -0.304 120.196 120.500 0.001 0.000 2.136 118 R HA -0.186 4.154 4.340 0.000 0.000 0.242 118 R C 2.357 178.657 176.300 -0.001 0.000 1.131 118 R CA 2.145 58.244 56.100 -0.000 0.000 0.937 118 R CB -0.902 29.399 30.300 0.000 0.000 0.863 118 R HN 0.484 nan 8.270 nan 0.000 0.435 119 G N 0.533 109.334 108.800 0.001 0.000 2.491 119 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 119 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 119 G C 1.449 176.350 174.900 0.001 0.000 1.180 119 G CA 1.322 46.422 45.100 0.001 0.000 0.774 119 G HN 0.306 nan 8.290 nan 0.000 0.562 120 I N 1.077 121.648 120.570 0.001 0.000 2.118 120 I HA -0.212 3.958 4.170 0.000 0.000 0.241 120 I C 2.403 178.519 176.117 -0.002 0.000 1.070 120 I CA 1.674 62.974 61.300 0.001 0.000 1.327 120 I CB -0.218 37.784 38.000 0.003 0.000 1.034 120 I HN 0.068 nan 8.210 nan 0.000 0.405 121 D N 0.411 120.808 120.400 -0.004 0.000 2.178 121 D HA -0.198 4.442 4.640 0.000 0.000 0.201 121 D C 2.076 178.371 176.300 -0.009 0.000 0.980 121 D CA 1.106 55.101 54.000 -0.009 0.000 0.842 121 D CB -0.181 40.613 40.800 -0.010 0.000 0.948 121 D HN 0.321 nan 8.370 nan 0.000 0.472 122 K N 0.561 120.958 120.400 -0.005 0.000 1.984 122 K HA -0.068 4.252 4.320 0.000 0.000 0.209 122 K C 2.107 178.705 176.600 -0.003 0.000 1.046 122 K CA 1.112 57.396 56.287 -0.004 0.000 0.934 122 K CB -0.086 32.413 32.500 -0.002 0.000 0.717 122 K HN -0.010 nan 8.250 nan 0.000 0.438 123 A N 0.815 123.635 122.820 -0.001 0.000 1.940 123 A HA -0.197 4.123 4.320 0.000 0.000 0.221 123 A C 2.253 179.837 177.584 0.000 0.000 1.190 123 A CA 2.150 54.187 52.037 0.001 0.000 0.647 123 A CB -0.899 18.102 19.000 0.003 0.000 0.821 123 A HN 0.210 nan 8.150 nan 0.000 0.457 124 V N -0.848 119.064 119.914 -0.003 0.000 2.270 124 V HA -0.227 3.893 4.120 0.000 0.000 0.245 124 V C 2.694 178.783 176.094 -0.008 0.000 1.043 124 V CA 2.456 64.752 62.300 -0.006 0.000 1.014 124 V CB -1.416 30.400 31.823 -0.011 0.000 0.645 124 V HN 0.603 nan 8.190 nan 0.000 0.447 125 T N 0.487 115.035 114.554 -0.011 0.000 2.685 125 T HA -0.290 4.060 4.350 0.000 0.000 0.268 125 T C 1.979 176.676 174.700 -0.006 0.000 1.034 125 T CA 2.053 64.147 62.100 -0.011 0.000 1.149 125 T CB -0.458 68.404 68.868 -0.010 0.000 0.860 125 T HN 0.596 nan 8.240 nan 0.000 0.449 126 A N 1.051 123.870 122.820 -0.003 0.000 1.872 126 A HA 0.274 4.594 4.320 0.000 0.000 0.214 126 A C 2.643 180.228 177.584 0.003 0.000 1.187 126 A CA 1.707 53.744 52.037 0.000 0.000 0.614 126 A CB -1.073 17.928 19.000 0.001 0.000 0.826 126 A HN 0.512 nan 8.150 nan 0.000 0.442 127 A N -0.506 122.316 122.820 0.003 0.000 1.933 127 A HA 0.028 4.348 4.320 0.000 0.000 0.218 127 A C 2.198 179.786 177.584 0.006 0.000 1.175 127 A CA 1.680 53.720 52.037 0.006 0.000 0.628 127 A CB -0.885 18.120 19.000 0.008 0.000 0.814 127 A HN 0.364 nan 8.150 nan 0.000 0.444 128 V N -0.130 119.786 119.914 0.002 0.000 2.332 128 V HA -0.267 3.854 4.120 0.000 0.000 0.248 128 V C 2.570 178.666 176.094 0.003 0.000 1.055 128 V CA 2.449 64.750 62.300 0.001 0.000 1.038 128 V CB -0.755 31.064 31.823 -0.006 0.000 0.651 128 V HN 0.591 nan 8.190 nan 0.000 0.450 129 E N 0.120 120.321 120.200 0.003 0.000 2.038 129 E HA -0.204 4.146 4.350 0.000 0.000 0.195 129 E C 2.327 178.931 176.600 0.007 0.000 1.000 129 E CA 1.377 57.780 56.400 0.004 0.000 0.803 129 E CB -0.271 29.430 29.700 0.003 0.000 0.750 129 E HN 0.527 nan 8.360 nan 0.000 0.448 130 E N -0.176 120.029 120.200 0.008 0.000 2.085 130 E HA -0.201 4.149 4.350 0.000 0.000 0.194 130 E C 2.075 178.683 176.600 0.014 0.000 0.994 130 E CA 0.681 57.088 56.400 0.011 0.000 0.801 130 E CB -0.254 29.453 29.700 0.012 0.000 0.743 130 E HN 0.184 nan 8.360 nan 0.000 0.453 131 L N 1.670 122.902 121.223 0.014 0.000 2.012 131 L HA -0.209 4.131 4.340 0.000 0.000 0.210 131 L C 2.183 179.062 176.870 0.015 0.000 1.073 131 L CA 1.748 56.598 54.840 0.016 0.000 0.748 131 L CB -0.543 41.525 42.059 0.015 0.000 0.891 131 L HN 0.044 nan 8.230 nan 0.000 0.431 132 K N -1.072 119.336 120.400 0.012 0.000 2.152 132 K HA -0.135 4.186 4.320 0.000 0.000 0.206 132 K C 2.016 178.624 176.600 0.013 0.000 1.048 132 K CA 1.329 57.623 56.287 0.012 0.000 0.933 132 K CB -0.306 32.200 32.500 0.009 0.000 0.721 132 K HN 0.363 nan 8.250 nan 0.000 0.447 133 A N 1.445 124.273 122.820 0.013 0.000 1.897 133 A HA -0.092 4.228 4.320 0.000 0.000 0.215 133 A C 2.112 179.706 177.584 0.016 0.000 1.181 133 A CA 0.779 52.824 52.037 0.013 0.000 0.620 133 A CB -0.414 18.593 19.000 0.012 0.000 0.821 133 A HN 0.193 nan 8.150 nan 0.000 0.443 134 L N 0.191 121.425 121.223 0.019 0.000 2.141 134 L HA 0.033 4.373 4.340 0.000 0.000 0.209 134 L C 1.453 178.336 176.870 0.022 0.000 1.094 134 L CA 1.206 56.060 54.840 0.023 0.000 0.763 134 L CB -0.592 41.483 42.059 0.026 0.000 0.908 134 L HN 0.263 nan 8.230 nan 0.000 0.437 135 S N -0.702 115.010 115.700 0.020 0.000 2.593 135 S HA 0.065 4.535 4.470 0.000 0.000 0.300 135 S C -0.170 174.441 174.600 0.018 0.000 1.267 135 S CA -0.361 57.850 58.200 0.018 0.000 1.065 135 S CB 0.003 63.212 63.200 0.016 0.000 0.807 135 S HN 0.089 nan 8.310 nan 0.000 0.499 136 V N 9.084 129.009 119.914 0.018 0.000 2.398 136 V HA 0.370 4.490 4.120 0.000 0.000 0.286 136 V C -1.973 174.130 176.094 0.015 0.000 1.026 136 V CA -1.850 60.460 62.300 0.017 0.000 0.868 136 V CB 1.320 33.154 31.823 0.018 0.000 0.982 136 V HN 0.745 nan 8.190 nan 0.000 0.443 137 P HA 0.132 nan 4.420 nan 0.000 0.270 137 P C -0.693 176.615 177.300 0.012 0.000 1.223 137 P CA -0.209 62.898 63.100 0.013 0.000 0.785 137 P CB 0.425 32.132 31.700 0.012 0.000 0.923 138 C N 1.782 121.089 119.300 0.012 0.000 2.547 138 C HA 0.593 5.053 4.460 0.000 0.000 0.327 138 C C 1.095 176.091 174.990 0.011 0.000 1.076 138 C CA 0.306 59.330 59.018 0.011 0.000 1.390 138 C CB -0.583 27.165 27.740 0.012 0.000 1.918 138 C HN 0.631 nan 8.230 nan 0.000 0.438 139 S N 2.914 118.620 115.700 0.009 0.000 3.186 139 S HA 0.213 4.683 4.470 0.000 0.000 0.253 139 S C 0.293 174.897 174.600 0.007 0.000 1.071 139 S CA 0.554 58.758 58.200 0.008 0.000 0.796 139 S CB -0.112 63.093 63.200 0.008 0.000 0.818 139 S HN 0.941 nan 8.310 nan 0.000 0.498 140 D N 1.180 121.583 120.400 0.006 0.000 2.354 140 D HA 0.369 5.009 4.640 0.000 0.000 0.247 140 D C 1.040 177.342 176.300 0.004 0.000 1.138 140 D CA -0.094 53.909 54.000 0.005 0.000 0.958 140 D CB 0.433 41.236 40.800 0.005 0.000 1.144 140 D HN 0.066 nan 8.370 nan 0.000 0.458 141 S N -0.331 115.371 115.700 0.003 0.000 2.380 141 S HA -0.260 4.210 4.470 0.000 0.000 0.229 141 S C 1.571 176.172 174.600 0.002 0.000 1.043 141 S CA 1.752 59.954 58.200 0.002 0.000 1.038 141 S CB -0.355 62.845 63.200 0.001 0.000 0.872 141 S HN 0.648 nan 8.310 nan 0.000 0.456 142 K N 0.866 121.268 120.400 0.003 0.000 2.009 142 K HA -0.136 4.184 4.320 0.000 0.000 0.210 142 K C 2.166 178.768 176.600 0.004 0.000 1.049 142 K CA 1.445 57.733 56.287 0.003 0.000 0.929 142 K CB -0.394 32.108 32.500 0.004 0.000 0.714 142 K HN 0.323 nan 8.250 nan 0.000 0.440 143 A N 1.199 124.022 122.820 0.005 0.000 1.930 143 A HA -0.106 4.214 4.320 0.000 0.000 0.217 143 A C 2.007 179.595 177.584 0.006 0.000 1.175 143 A CA 1.130 53.171 52.037 0.006 0.000 0.627 143 A CB -0.435 18.569 19.000 0.008 0.000 0.815 143 A HN 0.285 nan 8.150 nan 0.000 0.443 144 I N 0.289 120.863 120.570 0.006 0.000 2.076 144 I HA -0.273 3.897 4.170 0.000 0.000 0.237 144 I C 2.987 179.107 176.117 0.004 0.000 1.059 144 I CA 1.614 62.917 61.300 0.006 0.000 1.317 144 I CB -1.730 36.272 38.000 0.004 0.000 1.037 144 I HN 0.355 nan 8.210 nan 0.000 0.398 145 A N -0.049 122.773 122.820 0.003 0.000 1.940 145 A HA -0.301 4.019 4.320 0.000 0.000 0.219 145 A C 2.269 179.855 177.584 0.002 0.000 1.176 145 A CA 2.124 54.162 52.037 0.001 0.000 0.631 145 A CB -0.732 18.269 19.000 0.000 0.000 0.814 145 A HN 0.523 nan 8.150 nan 0.000 0.446 146 Q N 0.069 119.870 119.800 0.003 0.000 1.927 146 Q HA -0.188 4.152 4.340 0.000 0.000 0.210 146 Q C 2.104 178.106 176.000 0.004 0.000 1.001 146 Q CA 3.253 59.058 55.803 0.003 0.000 0.862 146 Q CB -0.779 27.962 28.738 0.005 0.000 0.934 146 Q HN 0.730 nan 8.270 nan 0.000 0.420 147 V N -0.301 119.616 119.914 0.006 0.000 2.490 147 V HA -0.096 4.024 4.120 0.000 0.000 0.250 147 V C 1.884 177.982 176.094 0.008 0.000 1.061 147 V CA 2.552 64.857 62.300 0.008 0.000 1.064 147 V CB -1.428 30.402 31.823 0.011 0.000 0.670 147 V HN 0.505 nan 8.190 nan 0.000 0.461 148 G N 0.852 109.656 108.800 0.007 0.000 2.545 148 G HA2 -0.364 3.596 3.960 0.000 0.000 0.217 148 G HA3 -0.364 3.596 3.960 0.000 0.000 0.217 148 G C 1.805 176.707 174.900 0.004 0.000 1.218 148 G CA 2.532 47.636 45.100 0.006 0.000 0.787 148 G HN 0.764 nan 8.290 nan 0.000 0.571 149 T N 0.228 114.783 114.554 0.001 0.000 2.720 149 T HA -0.115 4.235 4.350 0.000 0.000 0.268 149 T C 2.416 177.115 174.700 -0.002 0.000 1.037 149 T CA 1.508 63.607 62.100 -0.001 0.000 1.144 149 T CB -0.372 68.495 68.868 -0.002 0.000 0.864 149 T HN 0.259 nan 8.240 nan 0.000 0.444 150 I N 1.554 122.123 120.570 -0.001 0.000 2.179 150 I HA -0.120 4.050 4.170 0.000 0.000 0.242 150 I C 3.016 179.132 176.117 -0.002 0.000 1.088 150 I CA 1.429 62.727 61.300 -0.004 0.000 1.357 150 I CB -0.550 37.448 38.000 -0.004 0.000 1.051 150 I HN 0.300 nan 8.210 nan 0.000 0.409 151 S N 0.327 116.028 115.700 0.003 0.000 2.474 151 S HA 0.023 4.493 4.470 0.000 0.000 0.235 151 S C 1.684 176.289 174.600 0.007 0.000 0.997 151 S CA 1.006 59.211 58.200 0.007 0.000 0.949 151 S CB -0.145 63.064 63.200 0.016 0.000 0.766 151 S HN 0.449 nan 8.310 nan 0.000 0.517 152 A N 1.209 124.031 122.820 0.003 0.000 2.500 152 A HA 0.399 4.719 4.320 0.000 0.000 0.267 152 A C 0.507 178.090 177.584 -0.002 0.000 1.290 152 A CA -0.202 51.836 52.037 0.002 0.000 0.928 152 A CB -0.603 18.398 19.000 0.001 0.000 1.066 152 A HN 0.679 nan 8.150 nan 0.000 0.516 153 N N 0.206 118.903 118.700 -0.005 0.000 2.688 153 N HA -0.210 4.530 4.740 0.000 0.000 0.261 153 N C 0.258 175.763 175.510 -0.009 0.000 1.116 153 N CA 0.495 53.539 53.050 -0.008 0.000 0.689 153 N CB -1.002 37.480 38.487 -0.009 0.000 0.882 153 N HN 0.405 nan 8.380 nan 0.000 0.554 154 S N -1.089 114.606 115.700 -0.009 0.000 3.011 154 S HA -0.244 4.226 4.470 0.000 0.000 0.278 154 S C -0.041 174.554 174.600 -0.007 0.000 1.300 154 S CA 1.445 59.640 58.200 -0.009 0.000 1.248 154 S CB -0.694 62.499 63.200 -0.012 0.000 1.517 154 S HN 0.803 nan 8.310 nan 0.000 0.685 155 D N 1.640 122.036 120.400 -0.006 0.000 2.348 155 D HA 0.199 4.839 4.640 0.000 0.000 0.259 155 D C 1.006 177.303 176.300 -0.005 0.000 1.296 155 D CA 0.193 54.190 54.000 -0.005 0.000 0.931 155 D CB 0.443 41.239 40.800 -0.005 0.000 1.067 155 D HN 0.478 nan 8.370 nan 0.000 0.503 156 E N 1.098 121.295 120.200 -0.005 0.000 2.204 156 E HA -0.147 4.203 4.350 0.000 0.000 0.194 156 E C 1.756 178.353 176.600 -0.004 0.000 0.989 156 E CA 1.121 57.519 56.400 -0.004 0.000 0.824 156 E CB 0.309 30.007 29.700 -0.004 0.000 0.756 156 E HN 0.627 nan 8.360 nan 0.000 0.477 157 T N -1.979 112.573 114.554 -0.005 0.000 2.951 157 T HA -0.061 4.289 4.350 0.000 0.000 0.268 157 T C 1.968 176.664 174.700 -0.006 0.000 1.073 157 T CA 0.805 62.902 62.100 -0.005 0.000 1.134 157 T CB -0.221 68.643 68.868 -0.006 0.000 0.884 157 T HN -0.057 nan 8.240 nan 0.000 0.479 158 V N 1.862 121.773 119.914 -0.005 0.000 2.379 158 V HA 0.084 4.204 4.120 0.000 0.000 0.245 158 V C 3.147 179.238 176.094 -0.005 0.000 1.044 158 V CA 1.639 63.935 62.300 -0.006 0.000 1.036 158 V CB -1.543 30.277 31.823 -0.005 0.000 0.664 158 V HN 0.637 nan 8.190 nan 0.000 0.453 159 G N -0.213 108.585 108.800 -0.003 0.000 2.440 159 G HA2 -0.332 3.628 3.960 0.000 0.000 0.218 159 G HA3 -0.332 3.628 3.960 0.000 0.000 0.218 159 G C 1.637 176.535 174.900 -0.003 0.000 1.154 159 G CA 1.243 46.341 45.100 -0.002 0.000 0.767 159 G HN 0.477 nan 8.290 nan 0.000 0.552 160 K N -0.457 119.941 120.400 -0.004 0.000 2.001 160 K HA -0.081 4.239 4.320 0.000 0.000 0.214 160 K C 2.519 179.116 176.600 -0.006 0.000 1.050 160 K CA 1.267 57.551 56.287 -0.004 0.000 0.934 160 K CB -0.310 32.187 32.500 -0.004 0.000 0.718 160 K HN 0.223 nan 8.250 nan 0.000 0.443 161 L N 1.137 122.356 121.223 -0.007 0.000 2.083 161 L HA -0.162 4.178 4.340 0.000 0.000 0.209 161 L C 2.150 179.013 176.870 -0.011 0.000 1.083 161 L CA 1.411 56.245 54.840 -0.009 0.000 0.752 161 L CB -0.301 41.752 42.059 -0.011 0.000 0.899 161 L HN 0.260 nan 8.230 nan 0.000 0.433 162 I N -1.245 119.319 120.570 -0.010 0.000 2.163 162 I HA -0.288 3.882 4.170 0.000 0.000 0.240 162 I C 2.592 178.704 176.117 -0.008 0.000 1.081 162 I CA 1.188 62.482 61.300 -0.010 0.000 1.353 162 I CB -0.578 37.417 38.000 -0.008 0.000 1.054 162 I HN 0.206 nan 8.210 nan 0.000 0.407 163 A N 0.159 122.976 122.820 -0.005 0.000 1.948 163 A HA -0.277 4.043 4.320 0.000 0.000 0.220 163 A C 2.247 179.828 177.584 -0.004 0.000 1.177 163 A CA 2.022 54.057 52.037 -0.003 0.000 0.636 163 A CB -0.654 18.345 19.000 -0.002 0.000 0.815 163 A HN 0.478 nan 8.150 nan 0.000 0.449 164 E N -0.708 119.488 120.200 -0.006 0.000 2.072 164 E HA -0.032 4.318 4.350 0.000 0.000 0.190 164 E C 2.380 178.975 176.600 -0.008 0.000 0.982 164 E CA 0.745 57.141 56.400 -0.006 0.000 0.803 164 E CB -0.227 29.469 29.700 -0.007 0.000 0.755 164 E HN 0.622 nan 8.360 nan 0.000 0.453 165 A N 1.180 123.994 122.820 -0.010 0.000 1.858 165 A HA -0.213 4.107 4.320 0.000 0.000 0.216 165 A C 2.175 179.753 177.584 -0.010 0.000 1.190 165 A CA 1.536 53.566 52.037 -0.012 0.000 0.617 165 A CB -0.511 18.479 19.000 -0.016 0.000 0.827 165 A HN 0.155 nan 8.150 nan 0.000 0.443 166 M N -1.039 118.555 119.600 -0.009 0.000 2.159 166 M HA -0.178 4.302 4.480 0.000 0.000 0.263 166 M C 1.698 177.995 176.300 -0.005 0.000 1.063 166 M CA 1.949 57.245 55.300 -0.006 0.000 1.110 166 M CB -0.713 31.885 32.600 -0.004 0.000 1.374 166 M HN 0.415 nan 8.290 nan 0.000 0.411 167 D N 0.447 120.844 120.400 -0.004 0.000 2.309 167 D HA -0.096 4.544 4.640 0.000 0.000 0.212 167 D C 1.957 178.254 176.300 -0.004 0.000 0.968 167 D CA 0.971 54.969 54.000 -0.004 0.000 0.882 167 D CB 0.304 41.102 40.800 -0.004 0.000 0.918 167 D HN 0.226 nan 8.370 nan 0.000 0.503 168 K N -0.946 119.450 120.400 -0.006 0.000 2.262 168 K HA 0.120 4.440 4.320 0.000 0.000 0.200 168 K C 1.273 177.869 176.600 -0.006 0.000 1.058 168 K CA 0.252 56.535 56.287 -0.006 0.000 0.974 168 K CB 0.614 33.109 32.500 -0.008 0.000 0.910 168 K HN 0.007 nan 8.250 nan 0.000 0.484 169 V N 0.323 120.232 119.914 -0.007 0.000 3.528 169 V HA 0.256 4.376 4.120 0.000 0.000 0.294 169 V C -0.050 176.041 176.094 -0.005 0.000 1.404 169 V CA 0.758 63.054 62.300 -0.007 0.000 1.065 169 V CB 0.441 32.258 31.823 -0.010 0.000 0.904 169 V HN 0.559 nan 8.190 nan 0.000 0.435 170 G N 0.603 109.400 108.800 -0.004 0.000 2.555 170 G HA2 -0.163 3.797 3.960 0.000 0.000 0.686 170 G HA3 -0.163 3.797 3.960 0.000 0.000 0.686 170 G C -0.041 174.858 174.900 -0.002 0.000 1.275 170 G CA -0.030 45.069 45.100 -0.002 0.000 0.871 170 G HN 0.235 nan 8.290 nan 0.000 0.603 171 K N -0.153 120.247 120.400 0.001 0.000 2.283 171 K HA 0.028 4.348 4.320 0.000 0.000 0.202 171 K C 2.130 178.732 176.600 0.003 0.000 1.048 171 K CA 1.784 58.073 56.287 0.003 0.000 0.948 171 K CB 0.050 32.554 32.500 0.006 0.000 0.742 171 K HN 0.411 nan 8.250 nan 0.000 0.458 172 E N 0.185 120.386 120.200 0.003 0.000 2.102 172 E HA 0.056 4.406 4.350 0.000 0.000 0.190 172 E C 0.710 177.310 176.600 -0.001 0.000 0.971 172 E CA 0.310 56.712 56.400 0.004 0.000 0.821 172 E CB -0.145 29.558 29.700 0.005 0.000 0.777 172 E HN 0.289 nan 8.360 nan 0.000 0.460 173 G N 0.686 109.484 108.800 -0.003 0.000 2.460 173 G HA2 0.043 4.003 3.960 0.000 0.000 0.230 173 G HA3 0.043 4.003 3.960 0.000 0.000 0.230 173 G C -0.077 174.816 174.900 -0.013 0.000 1.248 173 G CA -0.303 44.793 45.100 -0.007 0.000 0.863 173 G HN 0.051 nan 8.290 nan 0.000 0.549 174 V N 2.916 122.820 119.914 -0.016 0.000 2.470 174 V HA 0.226 4.346 4.120 0.000 0.000 0.276 174 V C 0.417 176.492 176.094 -0.032 0.000 1.040 174 V CA 0.103 62.387 62.300 -0.027 0.000 1.008 174 V CB 0.485 32.290 31.823 -0.030 0.000 0.990 174 V HN 0.480 nan 8.190 nan 0.000 0.477 175 I N 5.248 125.795 120.570 -0.040 0.000 2.382 175 I HA 0.487 4.657 4.170 0.000 0.000 0.286 175 I C 0.478 176.561 176.117 -0.056 0.000 1.002 175 I CA -0.070 61.204 61.300 -0.043 0.000 1.135 175 I CB 1.938 39.915 38.000 -0.039 0.000 1.288 175 I HN 0.720 nan 8.210 nan 0.000 0.448 176 T N 2.679 117.202 114.554 -0.052 0.000 2.950 176 T HA 0.820 5.170 4.350 0.000 0.000 0.288 176 T C -0.410 174.261 174.700 -0.049 0.000 1.035 176 T CA -0.867 61.199 62.100 -0.057 0.000 1.028 176 T CB 2.044 70.880 68.868 -0.054 0.000 1.109 176 T HN 0.166 nan 8.240 nan 0.000 0.514 177 V N 1.161 121.045 119.914 -0.049 0.000 2.487 177 V HA 0.551 4.671 4.120 0.000 0.000 0.298 177 V C -0.256 175.819 176.094 -0.033 0.000 1.028 177 V CA -0.758 61.518 62.300 -0.040 0.000 0.860 177 V CB 1.392 33.189 31.823 -0.042 0.000 0.991 177 V HN 0.978 nan 8.190 nan 0.000 0.427 178 E N 1.582 121.765 120.200 -0.028 0.000 2.320 178 E HA 0.439 4.789 4.350 0.000 0.000 0.264 178 E C -1.364 175.225 176.600 -0.020 0.000 0.923 178 E CA -0.998 55.388 56.400 -0.024 0.000 0.796 178 E CB 1.775 31.461 29.700 -0.024 0.000 1.262 178 E HN 0.671 nan 8.360 nan 0.000 0.428 179 D N 0.490 120.880 120.400 -0.017 0.000 2.443 179 D HA 0.209 4.849 4.640 0.000 0.000 0.239 179 D C -0.097 176.194 176.300 -0.014 0.000 1.136 179 D CA 0.481 54.473 54.000 -0.015 0.000 0.879 179 D CB 0.812 41.604 40.800 -0.013 0.000 1.195 179 D HN 0.424 nan 8.370 nan 0.000 0.443 180 G N -0.014 108.778 108.800 -0.013 0.000 2.420 180 G HA2 0.344 4.304 3.960 0.000 0.000 0.284 180 G HA3 0.344 4.304 3.960 0.000 0.000 0.284 180 G C 1.023 175.916 174.900 -0.011 0.000 1.177 180 G CA -0.386 44.706 45.100 -0.012 0.000 0.841 180 G HN 0.497 nan 8.290 nan 0.000 0.527 181 T N -0.593 113.955 114.554 -0.011 0.000 3.044 181 T HA 0.320 4.670 4.350 0.000 0.000 0.255 181 T C 1.275 175.970 174.700 -0.009 0.000 1.073 181 T CA 0.800 62.894 62.100 -0.010 0.000 1.125 181 T CB 0.299 69.161 68.868 -0.011 0.000 0.908 181 T HN 0.725 nan 8.240 nan 0.000 0.480 182 G N 0.834 109.629 108.800 -0.009 0.000 3.212 182 G HA2 0.536 4.496 3.960 0.000 0.000 0.188 182 G HA3 0.536 4.496 3.960 0.000 0.000 0.188 182 G C 0.062 174.958 174.900 -0.007 0.000 1.254 182 G CA -0.310 44.785 45.100 -0.008 0.000 0.957 182 G HN 0.213 nan 8.290 nan 0.000 0.596 183 L N -0.747 120.472 121.223 -0.007 0.000 2.529 183 L HA 0.377 4.717 4.340 0.000 0.000 0.223 183 L C 0.633 177.499 176.870 -0.007 0.000 1.113 183 L CA 0.488 55.324 54.840 -0.007 0.000 0.861 183 L CB -0.215 41.841 42.059 -0.006 0.000 1.012 183 L HN 0.221 nan 8.230 nan 0.000 0.461 184 Q N 1.436 121.231 119.800 -0.007 0.000 2.243 184 Q HA 0.189 4.529 4.340 0.000 0.000 0.252 184 Q C -0.783 175.212 176.000 -0.009 0.000 0.909 184 Q CA -0.329 55.470 55.803 -0.008 0.000 0.922 184 Q CB 1.101 29.834 28.738 -0.007 0.000 1.215 184 Q HN 0.292 nan 8.270 nan 0.000 0.427 185 D N 2.050 122.445 120.400 -0.009 0.000 2.399 185 D HA 0.112 4.752 4.640 0.000 0.000 0.241 185 D C -0.293 176.001 176.300 -0.010 0.000 1.133 185 D CA 0.500 54.494 54.000 -0.010 0.000 0.890 185 D CB 0.958 41.752 40.800 -0.010 0.000 1.201 185 D HN 0.364 nan 8.370 nan 0.000 0.432 186 E N 0.437 120.630 120.200 -0.012 0.000 2.293 186 E HA 0.516 4.866 4.350 0.000 0.000 0.270 186 E C -0.868 175.724 176.600 -0.013 0.000 0.879 186 E CA -0.703 55.690 56.400 -0.012 0.000 0.756 186 E CB 2.611 32.304 29.700 -0.012 0.000 1.208 186 E HN 0.168 nan 8.360 nan 0.000 0.428 187 L N 2.994 124.210 121.223 -0.013 0.000 2.372 187 L HA 0.463 4.803 4.340 0.000 0.000 0.273 187 L C -1.603 175.259 176.870 -0.013 0.000 0.989 187 L CA -0.455 54.377 54.840 -0.014 0.000 0.841 187 L CB 0.921 42.972 42.059 -0.013 0.000 1.225 187 L HN 0.572 nan 8.230 nan 0.000 0.414 188 D N 4.121 124.512 120.400 -0.015 0.000 2.619 188 D HA 0.406 5.046 4.640 0.000 0.000 0.241 188 D C -0.586 175.705 176.300 -0.015 0.000 1.087 188 D CA -0.204 53.788 54.000 -0.014 0.000 0.851 188 D CB 3.133 43.924 40.800 -0.015 0.000 1.474 188 D HN 0.286 nan 8.370 nan 0.000 0.478 189 V N -0.483 119.423 119.914 -0.014 0.000 2.481 189 V HA 0.784 4.904 4.120 0.000 0.000 0.286 189 V C 0.007 176.093 176.094 -0.013 0.000 1.042 189 V CA -0.543 61.749 62.300 -0.013 0.000 0.928 189 V CB 1.559 33.375 31.823 -0.011 0.000 0.986 189 V HN 0.317 nan 8.190 nan 0.000 0.462 190 V N 2.345 122.250 119.914 -0.014 0.000 3.048 190 V HA 0.453 4.573 4.120 0.000 0.000 0.303 190 V C -0.464 175.623 176.094 -0.012 0.000 1.214 190 V CA -0.562 61.729 62.300 -0.014 0.000 0.984 190 V CB 2.312 34.125 31.823 -0.017 0.000 1.054 190 V HN 1.076 nan 8.190 nan 0.000 0.430 191 E N 3.038 123.232 120.200 -0.010 0.000 2.558 191 E HA 0.427 4.777 4.350 0.000 0.000 0.255 191 E C 0.303 176.900 176.600 -0.006 0.000 0.968 191 E CA 1.104 57.500 56.400 -0.006 0.000 0.939 191 E CB 0.797 30.494 29.700 -0.005 0.000 0.921 191 E HN 1.082 nan 8.360 nan 0.000 0.477 192 G N 1.367 110.167 108.800 -0.001 0.000 2.428 192 G HA2 0.537 4.497 3.960 0.000 0.000 0.305 192 G HA3 0.537 4.497 3.960 0.000 0.000 0.305 192 G C -1.202 173.706 174.900 0.013 0.000 1.260 192 G CA -0.506 44.595 45.100 0.001 0.000 0.853 192 G HN 0.430 nan 8.290 nan 0.000 0.480 193 M N -0.162 119.444 119.600 0.010 0.000 2.724 193 M HA 0.468 4.948 4.480 0.000 0.000 0.280 193 M C -2.432 173.859 176.300 -0.015 0.000 1.090 193 M CA -0.566 54.754 55.300 0.033 0.000 0.838 193 M CB 2.157 34.816 32.600 0.099 0.000 1.729 193 M HN 0.849 nan 8.290 nan 0.000 0.530 194 Q N 3.360 123.152 119.800 -0.013 0.000 2.331 194 Q HA 0.737 5.077 4.340 0.000 0.000 0.272 194 Q C -2.239 173.749 176.000 -0.020 0.000 1.062 194 Q CA -0.647 55.078 55.803 -0.130 0.000 0.806 194 Q CB 2.224 30.899 28.738 -0.105 0.000 1.312 194 Q HN 0.557 nan 8.270 nan 0.000 0.431 195 F N -0.076 119.874 119.950 0.001 0.000 2.578 195 F HA 0.478 5.005 4.527 0.000 0.000 0.311 195 F C -0.712 175.092 175.800 0.007 0.000 1.094 195 F CA -1.298 56.705 58.000 0.006 0.000 0.923 195 F CB 1.113 40.118 39.000 0.008 0.000 1.230 195 F HN 0.322 nan 8.300 nan 0.000 0.450 196 D N 2.921 123.462 120.400 0.235 0.000 2.540 196 D HA 0.203 4.843 4.640 0.000 0.000 0.237 196 D C -0.380 176.033 176.300 0.187 0.000 1.181 196 D CA 0.598 54.681 54.000 0.139 0.000 1.119 196 D CB -0.188 40.672 40.800 0.100 0.000 1.119 196 D HN 0.455 nan 8.370 nan 0.000 0.498 197 R N -0.129 120.492 120.500 0.201 0.000 2.548 197 R HA 0.575 4.915 4.340 0.000 0.000 0.280 197 R C -0.061 176.286 176.300 0.078 0.000 1.061 197 R CA -0.609 55.606 56.100 0.193 0.000 0.915 197 R CB 1.814 32.335 30.300 0.369 0.000 1.210 197 R HN 0.240 nan 8.270 nan 0.000 0.442 198 G N 1.349 110.150 108.800 0.000 0.000 2.552 198 G HA2 0.380 4.340 3.960 0.000 0.000 0.324 198 G HA3 0.380 4.340 3.960 0.000 0.000 0.324 198 G C -0.928 173.948 174.900 -0.040 0.000 1.217 198 G CA -0.633 44.391 45.100 -0.127 0.000 0.989 198 G HN 0.527 nan 8.290 nan 0.000 0.490 199 Y N -1.059 119.311 120.300 0.116 0.000 2.652 199 Y HA 0.287 4.837 4.550 0.000 0.000 0.344 199 Y C 1.050 177.081 175.900 0.218 0.000 1.254 199 Y CA -0.956 57.260 58.100 0.194 0.000 1.480 199 Y CB 0.343 38.965 38.460 0.269 0.000 1.345 199 Y HN 0.165 nan 8.280 nan 0.000 0.617 200 L N 1.449 123.007 121.223 0.558 0.000 2.509 200 L HA 0.165 4.505 4.340 0.000 0.000 0.222 200 L C 0.619 177.701 176.870 0.353 0.000 1.123 200 L CA 0.958 56.039 54.840 0.402 0.000 0.856 200 L CB -0.055 42.216 42.059 0.355 0.000 0.985 200 L HN 0.757 nan 8.230 nan 0.000 0.456 201 S N -2.045 113.879 115.700 0.374 0.000 2.566 201 S HA 0.365 4.835 4.470 0.000 0.000 0.273 201 S C -2.243 172.183 174.600 -0.290 0.000 1.157 201 S CA -0.933 57.240 58.200 -0.046 0.000 0.938 201 S CB 1.488 64.390 63.200 -0.497 0.000 1.087 201 S HN -0.247 nan 8.310 nan 0.000 0.474 202 P HA -0.036 nan 4.420 nan 0.000 0.219 202 P C 0.375 177.338 177.300 -0.562 0.000 1.146 202 P CA 1.038 63.777 63.100 -0.602 0.000 0.808 202 P CB -0.090 31.377 31.700 -0.388 0.000 0.779 203 Y N -2.835 117.217 120.300 -0.412 0.000 2.632 203 Y HA -0.021 4.529 4.550 0.000 0.000 0.301 203 Y C 1.576 177.306 175.900 -0.284 0.000 1.172 203 Y CA 0.390 58.292 58.100 -0.329 0.000 1.328 203 Y CB -0.957 37.311 38.460 -0.319 0.000 1.016 203 Y HN -0.071 nan 8.280 nan 0.000 0.529 204 F N -0.445 119.442 119.950 -0.105 0.000 2.512 204 F HA 0.094 4.621 4.527 0.000 0.000 0.296 204 F C 1.040 176.761 175.800 -0.131 0.000 1.110 204 F CA -0.705 57.236 58.000 -0.098 0.000 1.446 204 F CB -0.565 38.379 39.000 -0.093 0.000 1.092 204 F HN -0.158 nan 8.300 nan 0.000 0.554 205 I N 2.939 123.467 120.570 -0.071 0.000 2.742 205 I HA -0.169 4.001 4.170 0.000 0.000 0.287 205 I C 1.083 177.191 176.117 -0.016 0.000 1.186 205 I CA 0.340 61.594 61.300 -0.077 0.000 1.417 205 I CB 0.239 38.144 38.000 -0.159 0.000 1.377 205 I HN 0.194 nan 8.210 nan 0.000 0.556 206 N N 6.056 124.761 118.700 0.009 0.000 2.184 206 N HA 0.023 4.763 4.740 0.000 0.000 0.206 206 N C -0.185 175.326 175.510 0.003 0.000 1.151 206 N CA -0.054 53.003 53.050 0.012 0.000 0.878 206 N CB 0.587 39.088 38.487 0.024 0.000 1.014 206 N HN 0.388 nan 8.380 nan 0.000 0.512 207 K N 1.816 122.217 120.400 0.001 0.000 2.624 207 K HA 0.290 4.610 4.320 0.000 0.000 0.200 207 K C -1.978 174.620 176.600 -0.003 0.000 1.036 207 K CA -1.459 54.828 56.287 0.001 0.000 1.029 207 K CB 2.377 34.881 32.500 0.006 0.000 1.317 207 K HN -0.045 nan 8.250 nan 0.000 0.555 208 P HA -0.191 nan 4.420 nan 0.000 0.217 208 P C 0.825 178.120 177.300 -0.009 0.000 1.148 208 P CA 1.209 64.298 63.100 -0.019 0.000 0.828 208 P CB 0.512 32.199 31.700 -0.022 0.000 0.783 209 E N -0.705 119.494 120.200 -0.002 0.000 2.268 209 E HA -0.056 4.294 4.350 0.000 0.000 0.195 209 E C 1.476 178.083 176.600 0.012 0.000 0.995 209 E CA 1.210 57.612 56.400 0.003 0.000 0.836 209 E CB -0.495 29.207 29.700 0.003 0.000 0.763 209 E HN 0.340 nan 8.360 nan 0.000 0.491 210 T N -1.169 113.396 114.554 0.017 0.000 3.022 210 T HA 0.196 4.546 4.350 0.000 0.000 0.250 210 T C 1.103 175.830 174.700 0.046 0.000 1.060 210 T CA 0.468 62.587 62.100 0.031 0.000 1.013 210 T CB 0.606 69.491 68.868 0.029 0.000 0.982 210 T HN 0.275 nan 8.240 nan 0.000 0.508 211 G N 1.870 110.693 108.800 0.037 0.000 2.338 211 G HA2 0.062 4.022 3.960 0.000 0.000 0.296 211 G HA3 0.062 4.022 3.960 0.000 0.000 0.296 211 G C 0.030 175.002 174.900 0.121 0.000 1.040 211 G CA 0.101 45.237 45.100 0.060 0.000 1.004 211 G HN 0.953 nan 8.290 nan 0.000 0.509 212 A N -1.307 121.561 122.820 0.081 0.000 2.566 212 A HA 0.890 5.210 4.320 0.000 0.000 0.292 212 A C -0.509 177.116 177.584 0.069 0.000 1.112 212 A CA -0.337 51.766 52.037 0.109 0.000 0.707 212 A CB 2.077 21.122 19.000 0.074 0.000 1.302 212 A HN 1.283 nan 8.150 nan 0.000 0.409 213 V N 1.529 121.497 119.914 0.090 0.000 2.357 213 V HA 0.396 4.516 4.120 0.000 0.000 0.284 213 V C -0.346 175.766 176.094 0.030 0.000 1.018 213 V CA -0.256 62.079 62.300 0.058 0.000 0.841 213 V CB 1.018 32.889 31.823 0.080 0.000 0.991 213 V HN 0.864 nan 8.190 nan 0.000 0.437 214 E N 5.424 125.633 120.200 0.015 0.000 2.114 214 E HA 0.560 4.910 4.350 0.000 0.000 0.266 214 E C -1.252 175.346 176.600 -0.004 0.000 0.896 214 E CA -0.452 55.948 56.400 0.000 0.000 0.750 214 E CB 1.983 31.682 29.700 -0.002 0.000 1.121 214 E HN 0.547 nan 8.360 nan 0.000 0.413 215 L N 3.106 124.321 121.223 -0.012 0.000 2.313 215 L HA 0.320 4.660 4.340 0.000 0.000 0.283 215 L C 0.135 176.992 176.870 -0.022 0.000 1.013 215 L CA -0.826 54.006 54.840 -0.014 0.000 0.816 215 L CB 1.475 43.523 42.059 -0.017 0.000 1.236 215 L HN 0.326 nan 8.230 nan 0.000 0.419 216 E N 2.378 122.567 120.200 -0.019 0.000 2.152 216 E HA 0.079 4.429 4.350 0.000 0.000 0.285 216 E C 0.395 176.968 176.600 -0.046 0.000 1.043 216 E CA -0.056 56.327 56.400 -0.029 0.000 0.839 216 E CB 1.248 30.936 29.700 -0.020 0.000 1.069 216 E HN 0.697 nan 8.360 nan 0.000 0.399 217 S N 2.453 118.113 115.700 -0.066 0.000 3.243 217 S HA -0.151 4.319 4.470 0.000 0.000 0.333 217 S C -2.341 172.162 174.600 -0.162 0.000 0.913 217 S CA -0.200 57.933 58.200 -0.111 0.000 1.310 217 S CB -1.569 61.560 63.200 -0.118 0.000 0.894 217 S HN 0.243 nan 8.310 nan 0.000 0.498 218 P HA 0.618 nan 4.420 nan 0.000 0.281 218 P C 0.156 177.360 177.300 -0.160 0.000 1.264 218 P CA -0.950 62.100 63.100 -0.083 0.000 0.824 218 P CB 0.352 32.051 31.700 -0.001 0.000 1.092 219 F N 0.015 119.960 119.950 -0.007 0.000 2.410 219 F HA 0.326 4.853 4.527 0.000 0.000 0.334 219 F C 0.857 176.655 175.800 -0.004 0.000 1.134 219 F CA 0.220 58.218 58.000 -0.004 0.000 1.227 219 F CB 0.101 39.099 39.000 -0.004 0.000 1.194 219 F HN 0.015 nan 8.300 nan 0.000 0.571 220 I N 3.722 124.402 120.570 0.184 0.000 2.410 220 I HA 0.209 4.379 4.170 0.000 0.000 0.286 220 I C -0.992 175.183 176.117 0.097 0.000 1.009 220 I CA -0.494 60.871 61.300 0.109 0.000 1.111 220 I CB 1.550 39.595 38.000 0.075 0.000 1.262 220 I HN 0.328 nan 8.210 nan 0.000 0.443 221 L N 7.673 128.939 121.223 0.071 0.000 2.290 221 L HA 0.447 4.787 4.340 0.000 0.000 0.284 221 L C -0.744 176.148 176.870 0.037 0.000 1.078 221 L CA -0.250 54.617 54.840 0.047 0.000 0.815 221 L CB 1.042 43.119 42.059 0.030 0.000 1.162 221 L HN 0.657 nan 8.230 nan 0.000 0.435 222 L N 6.287 127.527 121.223 0.028 0.000 2.709 222 L HA 0.394 4.734 4.340 0.000 0.000 0.236 222 L C 0.612 177.487 176.870 0.007 0.000 1.266 222 L CA -0.227 54.623 54.840 0.016 0.000 0.987 222 L CB 0.934 43.001 42.059 0.014 0.000 1.306 222 L HN 0.692 nan 8.230 nan 0.000 0.467 223 A N -0.139 122.686 122.820 0.008 0.000 2.296 223 A HA 0.264 4.584 4.320 0.000 0.000 0.264 223 A C 0.512 178.096 177.584 -0.000 0.000 1.097 223 A CA 0.048 52.089 52.037 0.006 0.000 0.811 223 A CB 0.605 19.611 19.000 0.010 0.000 1.072 223 A HN 0.563 nan 8.150 nan 0.000 0.495 224 D N -1.840 118.560 120.400 0.001 0.000 2.502 224 D HA 0.114 4.754 4.640 0.000 0.000 0.232 224 D C 0.455 176.757 176.300 0.004 0.000 1.137 224 D CA 0.291 54.290 54.000 -0.002 0.000 0.827 224 D CB 0.127 40.924 40.800 -0.005 0.000 1.141 224 D HN 0.649 nan 8.370 nan 0.000 0.517 225 K N -0.204 120.201 120.400 0.008 0.000 2.177 225 K HA 0.495 4.815 4.320 0.000 0.000 0.238 225 K C -0.521 176.089 176.600 0.018 0.000 1.015 225 K CA -0.872 55.423 56.287 0.012 0.000 0.922 225 K CB 1.027 33.533 32.500 0.011 0.000 1.127 225 K HN -0.338 nan 8.250 nan 0.000 0.469 226 K N 1.389 121.801 120.400 0.020 0.000 2.316 226 K HA 0.185 4.505 4.320 0.000 0.000 0.289 226 K C -0.567 176.049 176.600 0.026 0.000 1.070 226 K CA -0.320 55.982 56.287 0.026 0.000 0.928 226 K CB 0.420 32.935 32.500 0.026 0.000 1.039 226 K HN 0.427 nan 8.250 nan 0.000 0.480 227 I N 3.733 124.322 120.570 0.031 0.000 2.389 227 I HA -0.037 4.133 4.170 0.000 0.000 0.295 227 I C 1.227 177.364 176.117 0.034 0.000 1.117 227 I CA 0.471 61.789 61.300 0.031 0.000 1.317 227 I CB -0.241 37.779 38.000 0.035 0.000 1.431 227 I HN 0.699 nan 8.210 nan 0.000 0.521 228 S N 4.499 120.215 115.700 0.027 0.000 2.591 228 S HA 0.112 4.582 4.470 0.000 0.000 0.235 228 S C 0.830 175.444 174.600 0.023 0.000 1.074 228 S CA -0.191 58.025 58.200 0.026 0.000 0.925 228 S CB 0.242 63.455 63.200 0.021 0.000 0.818 228 S HN 0.592 nan 8.310 nan 0.000 0.535 229 N N 1.294 120.005 118.700 0.018 0.000 2.498 229 N HA 0.350 5.090 4.740 0.000 0.000 0.287 229 N C 0.421 175.940 175.510 0.016 0.000 1.097 229 N CA -0.388 52.671 53.050 0.015 0.000 0.973 229 N CB 1.134 39.627 38.487 0.010 0.000 1.153 229 N HN 0.303 nan 8.380 nan 0.000 0.472 230 I N 1.894 122.473 120.570 0.015 0.000 3.291 230 I HA 0.053 4.223 4.170 0.000 0.000 0.279 230 I C 2.256 178.378 176.117 0.009 0.000 1.294 230 I CA 0.309 61.617 61.300 0.015 0.000 1.428 230 I CB -0.307 37.702 38.000 0.014 0.000 1.070 230 I HN 0.513 nan 8.210 nan 0.000 0.478 231 R N 1.827 122.331 120.500 0.007 0.000 2.066 231 R HA -0.164 4.176 4.340 0.000 0.000 0.232 231 R C 1.966 178.267 176.300 0.001 0.000 1.131 231 R CA 1.566 57.667 56.100 0.003 0.000 0.955 231 R CB -0.070 30.231 30.300 0.002 0.000 0.851 231 R HN 0.302 nan 8.270 nan 0.000 0.432 232 E N 0.096 120.298 120.200 0.003 0.000 2.273 232 E HA -0.226 4.124 4.350 0.000 0.000 0.198 232 E C 1.731 178.330 176.600 -0.002 0.000 1.002 232 E CA 1.604 58.005 56.400 0.001 0.000 0.828 232 E CB -0.077 29.626 29.700 0.005 0.000 0.747 232 E HN 0.258 nan 8.360 nan 0.000 0.491 233 M N -0.472 119.128 119.600 0.000 0.000 2.193 233 M HA -0.002 4.478 4.480 0.000 0.000 0.265 233 M C 1.674 177.968 176.300 -0.011 0.000 1.071 233 M CA 1.082 56.380 55.300 -0.003 0.000 1.140 233 M CB -0.066 32.537 32.600 0.005 0.000 1.369 233 M HN 0.070 nan 8.290 nan 0.000 0.423 234 L N 0.152 121.369 121.223 -0.009 0.000 2.103 234 L HA -0.256 4.084 4.340 0.000 0.000 0.215 234 L C -0.544 176.314 176.870 -0.021 0.000 1.080 234 L CA 1.456 56.288 54.840 -0.013 0.000 0.764 234 L CB -2.666 39.388 42.059 -0.009 0.000 0.890 234 L HN 0.266 nan 8.230 nan 0.000 0.435 235 P HA -0.133 nan 4.420 nan 0.000 0.214 235 P C 1.842 179.113 177.300 -0.048 0.000 1.162 235 P CA 2.019 65.100 63.100 -0.032 0.000 0.879 235 P CB -0.224 31.460 31.700 -0.027 0.000 0.786 236 V N -2.555 117.329 119.914 -0.049 0.000 2.548 236 V HA -0.106 4.014 4.120 0.000 0.000 0.249 236 V C 2.510 178.557 176.094 -0.080 0.000 1.055 236 V CA 1.249 63.505 62.300 -0.072 0.000 1.065 236 V CB -1.914 29.874 31.823 -0.059 0.000 0.681 236 V HN -0.098 nan 8.190 nan 0.000 0.462 237 L N 0.467 121.661 121.223 -0.049 0.000 2.465 237 L HA 0.084 4.424 4.340 0.000 0.000 0.224 237 L C 2.372 179.217 176.870 -0.042 0.000 1.145 237 L CA 1.838 56.655 54.840 -0.038 0.000 0.834 237 L CB -0.410 41.640 42.059 -0.015 0.000 0.944 237 L HN 0.544 nan 8.230 nan 0.000 0.451 238 E N -1.412 118.759 120.200 -0.048 0.000 2.364 238 E HA 0.007 4.357 4.350 0.000 0.000 0.196 238 E C 1.965 178.527 176.600 -0.064 0.000 0.990 238 E CA 0.641 57.014 56.400 -0.044 0.000 0.886 238 E CB 0.235 29.915 29.700 -0.034 0.000 0.866 238 E HN 0.505 nan 8.360 nan 0.000 0.493 239 A N 0.963 123.726 122.820 -0.097 0.000 1.903 239 A HA -0.050 4.270 4.320 0.000 0.000 0.213 239 A C 2.184 179.653 177.584 -0.192 0.000 1.185 239 A CA 1.100 53.054 52.037 -0.138 0.000 0.628 239 A CB -0.474 18.425 19.000 -0.168 0.000 0.830 239 A HN 0.245 nan 8.150 nan 0.000 0.446 240 V N -3.211 116.573 119.914 -0.217 0.000 3.573 240 V HA 0.350 4.470 4.120 0.000 0.000 0.270 240 V C 1.860 177.918 176.094 -0.060 0.000 1.221 240 V CA 1.188 63.361 62.300 -0.212 0.000 1.163 240 V CB -0.766 30.940 31.823 -0.196 0.000 0.847 240 V HN 0.444 nan 8.190 nan 0.000 0.468 241 A N 0.947 123.737 122.820 -0.051 0.000 1.871 241 A HA 0.135 4.455 4.320 0.000 0.000 0.211 241 A C 2.206 179.785 177.584 -0.008 0.000 1.207 241 A CA 1.070 53.098 52.037 -0.016 0.000 0.620 241 A CB -0.292 18.699 19.000 -0.016 0.000 0.860 241 A HN 0.476 nan 8.150 nan 0.000 0.450 242 K N 0.164 120.551 120.400 -0.022 0.000 2.439 242 K HA 0.137 4.457 4.320 0.000 0.000 0.197 242 K C 1.613 178.214 176.600 0.002 0.000 1.041 242 K CA 0.646 56.926 56.287 -0.011 0.000 0.970 242 K CB -0.082 32.406 32.500 -0.019 0.000 0.773 242 K HN 0.413 nan 8.250 nan 0.000 0.479 243 A N 0.832 123.652 122.820 0.001 0.000 2.218 243 A HA 0.156 4.476 4.320 0.000 0.000 0.209 243 A C 1.307 178.954 177.584 0.104 0.000 1.168 243 A CA 0.600 52.673 52.037 0.060 0.000 0.804 243 A CB -0.325 18.706 19.000 0.051 0.000 0.834 243 A HN 0.340 nan 8.150 nan 0.000 0.482 244 G N -0.141 108.700 108.800 0.068 0.000 2.356 244 G HA2 -0.266 3.694 3.960 0.000 0.000 0.296 244 G HA3 -0.266 3.694 3.960 0.000 0.000 0.296 244 G C 0.007 174.961 174.900 0.091 0.000 1.022 244 G CA 0.978 46.117 45.100 0.064 0.000 0.961 244 G HN 0.590 nan 8.290 nan 0.000 0.510 245 K N -0.458 120.024 120.400 0.137 0.000 2.477 245 K HA 0.498 4.818 4.320 0.000 0.000 0.255 245 K C -2.609 174.084 176.600 0.155 0.000 0.952 245 K CA -2.128 54.259 56.287 0.166 0.000 0.826 245 K CB 2.607 35.284 32.500 0.295 0.000 1.331 245 K HN -0.027 nan 8.250 nan 0.000 0.437 246 P HA 0.189 nan 4.420 nan 0.000 0.274 246 P C -1.152 176.225 177.300 0.128 0.000 1.260 246 P CA -0.628 62.521 63.100 0.082 0.000 0.793 246 P CB 0.592 32.314 31.700 0.037 0.000 1.048 247 L N 0.944 122.211 121.223 0.072 0.000 2.505 247 L HA 0.408 4.748 4.340 0.000 0.000 0.266 247 L C -1.743 175.134 176.870 0.012 0.000 0.954 247 L CA -0.754 54.134 54.840 0.080 0.000 0.852 247 L CB 1.524 43.621 42.059 0.063 0.000 1.282 247 L HN 0.278 nan 8.230 nan 0.000 0.403 248 L N 6.022 127.261 121.223 0.027 0.000 2.282 248 L HA 0.535 4.875 4.340 0.000 0.000 0.288 248 L C -0.638 176.240 176.870 0.014 0.000 1.033 248 L CA -0.457 54.380 54.840 -0.005 0.000 0.807 248 L CB 1.692 43.760 42.059 0.015 0.000 1.209 248 L HN 0.610 nan 8.230 nan 0.000 0.423 249 I N 6.100 126.664 120.570 -0.010 0.000 2.354 249 I HA 0.377 4.548 4.170 0.000 0.000 0.292 249 I C -0.329 175.812 176.117 0.040 0.000 0.989 249 I CA -0.401 60.907 61.300 0.014 0.000 1.188 249 I CB 1.829 39.831 38.000 0.004 0.000 1.342 249 I HN 0.439 nan 8.210 nan 0.000 0.457 250 I N 6.285 126.884 120.570 0.047 0.000 2.411 250 I HA 0.714 4.884 4.170 0.000 0.000 0.284 250 I C -0.034 176.093 176.117 0.017 0.000 1.012 250 I CA -0.093 61.235 61.300 0.046 0.000 1.119 250 I CB 1.542 39.572 38.000 0.050 0.000 1.261 250 I HN 0.690 nan 8.210 nan 0.000 0.448 251 A N 4.713 127.544 122.820 0.018 0.000 2.529 251 A HA 0.508 4.828 4.320 0.000 0.000 0.296 251 A C 0.720 178.313 177.584 0.015 0.000 1.205 251 A CA -0.493 51.551 52.037 0.011 0.000 0.671 251 A CB 1.110 20.122 19.000 0.020 0.000 1.301 251 A HN 0.563 nan 8.150 nan 0.000 0.450 252 E N 0.117 120.327 120.200 0.016 0.000 2.068 252 E HA -0.201 4.149 4.350 0.000 0.000 0.207 252 E C -0.081 176.542 176.600 0.038 0.000 1.032 252 E CA 2.113 58.528 56.400 0.025 0.000 0.839 252 E CB 0.109 29.825 29.700 0.026 0.000 0.758 252 E HN 0.596 nan 8.360 nan 0.000 0.457 253 D N -2.425 118.000 120.400 0.043 0.000 2.738 253 D HA 0.197 4.837 4.640 0.000 0.000 0.308 253 D C -1.659 174.678 176.300 0.061 0.000 1.311 253 D CA -0.440 53.594 54.000 0.056 0.000 0.799 253 D CB 1.771 42.602 40.800 0.052 0.000 1.332 253 D HN -0.206 nan 8.370 nan 0.000 0.441 254 V N 1.728 121.687 119.914 0.076 0.000 2.488 254 V HA 0.322 4.442 4.120 0.000 0.000 0.293 254 V C -0.320 175.819 176.094 0.075 0.000 1.027 254 V CA -0.675 61.672 62.300 0.079 0.000 0.862 254 V CB 1.497 33.385 31.823 0.108 0.000 1.008 254 V HN 0.407 nan 8.190 nan 0.000 0.428 255 E N 2.474 122.707 120.200 0.055 0.000 2.343 255 E HA 0.479 4.829 4.350 0.000 0.000 0.269 255 E C 1.441 178.066 176.600 0.042 0.000 1.047 255 E CA 0.830 57.256 56.400 0.045 0.000 0.874 255 E CB 1.526 31.246 29.700 0.033 0.000 1.033 255 E HN 0.696 nan 8.360 nan 0.000 0.409 256 G N 2.663 111.483 108.800 0.033 0.000 2.740 256 G HA2 -0.471 3.489 3.960 0.000 0.000 0.224 256 G HA3 -0.471 3.489 3.960 0.000 0.000 0.224 256 G C 1.307 176.217 174.900 0.017 0.000 1.156 256 G CA 1.494 46.608 45.100 0.022 0.000 0.766 256 G HN 0.761 nan 8.290 nan 0.000 0.623 257 E N 0.358 120.568 120.200 0.016 0.000 2.164 257 E HA -0.204 4.146 4.350 0.000 0.000 0.206 257 E C 2.501 179.111 176.600 0.017 0.000 1.032 257 E CA 1.643 58.051 56.400 0.012 0.000 0.832 257 E CB -0.280 29.428 29.700 0.013 0.000 0.742 257 E HN 0.487 nan 8.360 nan 0.000 0.460 258 A N -0.098 122.739 122.820 0.029 0.000 2.167 258 A HA 0.153 4.473 4.320 0.000 0.000 0.208 258 A C 1.856 179.477 177.584 0.062 0.000 1.198 258 A CA -0.015 52.045 52.037 0.039 0.000 0.863 258 A CB -0.122 18.903 19.000 0.041 0.000 0.904 258 A HN 0.337 nan 8.150 nan 0.000 0.484 259 L N -0.126 121.137 121.223 0.067 0.000 1.988 259 L HA -0.023 4.317 4.340 0.000 0.000 0.207 259 L C 2.649 179.547 176.870 0.047 0.000 1.071 259 L CA 1.791 56.689 54.840 0.097 0.000 0.744 259 L CB -0.359 41.754 42.059 0.091 0.000 0.893 259 L HN 0.298 nan 8.230 nan 0.000 0.433 260 A N -0.664 122.156 122.820 0.000 0.000 2.024 260 A HA -0.212 4.108 4.320 0.000 0.000 0.220 260 A C 2.256 179.811 177.584 -0.049 0.000 1.164 260 A CA 2.221 54.226 52.037 -0.053 0.000 0.643 260 A CB -1.214 17.754 19.000 -0.054 0.000 0.806 260 A HN 0.681 nan 8.150 nan 0.000 0.451 261 T N -1.226 113.322 114.554 -0.009 0.000 2.770 261 T HA -0.016 4.334 4.350 0.000 0.000 0.263 261 T C 1.850 176.564 174.700 0.023 0.000 1.039 261 T CA 1.178 63.277 62.100 -0.001 0.000 1.142 261 T CB -0.561 68.312 68.868 0.009 0.000 0.868 261 T HN 0.276 nan 8.240 nan 0.000 0.435 262 L N 0.856 122.121 121.223 0.070 0.000 2.127 262 L HA -0.089 4.251 4.340 0.000 0.000 0.211 262 L C 2.872 179.842 176.870 0.167 0.000 1.089 262 L CA 0.809 55.733 54.840 0.140 0.000 0.757 262 L CB -0.681 41.507 42.059 0.216 0.000 0.899 262 L HN 0.183 nan 8.230 nan 0.000 0.434 263 V N -0.500 119.443 119.914 0.048 0.000 2.220 263 V HA -0.284 3.836 4.120 0.000 0.000 0.246 263 V C 2.349 178.381 176.094 -0.103 0.000 1.049 263 V CA 1.930 64.150 62.300 -0.133 0.000 1.003 263 V CB -0.366 31.282 31.823 -0.293 0.000 0.634 263 V HN 0.226 nan 8.190 nan 0.000 0.444 264 V N 0.492 120.338 119.914 -0.113 0.000 2.626 264 V HA -0.207 3.913 4.120 0.000 0.000 0.252 264 V C 2.245 178.321 176.094 -0.031 0.000 1.067 264 V CA 1.880 64.122 62.300 -0.096 0.000 1.081 264 V CB -1.057 30.706 31.823 -0.101 0.000 0.686 264 V HN 0.628 nan 8.190 nan 0.000 0.468 265 N N 0.745 119.447 118.700 0.003 0.000 2.289 265 N HA -0.163 4.577 4.740 0.000 0.000 0.184 265 N C 1.914 177.453 175.510 0.047 0.000 1.016 265 N CA 2.078 55.144 53.050 0.027 0.000 0.872 265 N CB 0.226 38.739 38.487 0.043 0.000 0.973 265 N HN 0.740 nan 8.380 nan 0.000 0.433 266 T N -1.416 113.182 114.554 0.074 0.000 2.988 266 T HA 0.046 4.396 4.350 0.000 0.000 0.240 266 T C 1.372 176.111 174.700 0.064 0.000 1.014 266 T CA -0.090 62.067 62.100 0.095 0.000 1.155 266 T CB -0.444 68.538 68.868 0.190 0.000 0.872 266 T HN 0.196 nan 8.240 nan 0.000 0.440 267 M N 2.101 121.731 119.600 0.049 0.000 2.842 267 M HA 0.369 4.849 4.480 0.000 0.000 0.314 267 M C -0.293 176.016 176.300 0.014 0.000 1.646 267 M CA 0.110 55.433 55.300 0.038 0.000 1.484 267 M CB -0.596 32.030 32.600 0.045 0.000 1.727 267 M HN 0.176 nan 8.290 nan 0.000 0.468 268 R N 2.164 122.675 120.500 0.018 0.000 2.994 268 R HA -0.109 4.231 4.340 0.000 0.000 0.267 268 R C -0.305 175.998 176.300 0.004 0.000 0.914 268 R CA 0.849 56.953 56.100 0.007 0.000 0.668 268 R CB -1.920 28.379 30.300 -0.001 0.000 1.524 268 R HN 1.125 nan 8.270 nan 0.000 0.478 269 G N -0.308 108.500 108.800 0.012 0.000 2.559 269 G HA2 0.494 4.455 3.960 0.000 0.000 0.291 269 G HA3 0.494 4.455 3.960 0.000 0.000 0.291 269 G C 0.703 175.613 174.900 0.017 0.000 1.424 269 G CA -0.663 44.444 45.100 0.011 0.000 0.786 269 G HN 0.072 nan 8.290 nan 0.000 0.485 270 I N -0.326 120.253 120.570 0.014 0.000 2.034 270 I HA -0.106 4.064 4.170 0.000 0.000 0.228 270 I C 1.063 177.193 176.117 0.021 0.000 1.041 270 I CA 1.119 62.428 61.300 0.014 0.000 1.321 270 I CB -0.421 37.584 38.000 0.009 0.000 1.062 270 I HN 0.118 nan 8.210 nan 0.000 0.389 271 V N 2.060 121.988 119.914 0.023 0.000 2.439 271 V HA 0.075 4.195 4.120 0.000 0.000 0.271 271 V C 0.122 176.241 176.094 0.042 0.000 1.040 271 V CA -0.408 61.909 62.300 0.029 0.000 1.002 271 V CB 0.329 32.165 31.823 0.022 0.000 1.000 271 V HN 0.220 nan 8.190 nan 0.000 0.477 272 K N 4.474 124.900 120.400 0.043 0.000 2.284 272 K HA 0.572 4.892 4.320 0.000 0.000 0.287 272 K C -0.444 176.180 176.600 0.041 0.000 1.081 272 K CA -0.292 56.028 56.287 0.054 0.000 0.910 272 K CB 0.973 33.502 32.500 0.048 0.000 1.088 272 K HN 0.766 nan 8.250 nan 0.000 0.478 273 V N -0.209 119.730 119.914 0.040 0.000 3.167 273 V HA 0.989 5.109 4.120 0.000 0.000 0.310 273 V C -1.333 174.629 176.094 -0.221 0.000 1.207 273 V CA -1.011 61.264 62.300 -0.042 0.000 1.059 273 V CB 1.784 33.591 31.823 -0.028 0.000 1.079 273 V HN 0.702 nan 8.190 nan 0.000 0.446 274 A N 0.191 122.743 122.820 -0.447 0.000 2.589 274 A HA 1.047 5.367 4.320 0.000 0.000 0.296 274 A C -0.586 176.607 177.584 -0.652 0.000 1.062 274 A CA -0.212 51.163 52.037 -1.103 0.000 0.686 274 A CB 1.414 19.957 19.000 -0.761 0.000 1.282 274 A HN 2.627 nan 8.150 nan 0.000 0.404 275 A N 0.418 122.826 122.820 -0.686 0.000 2.435 275 A HA 0.906 5.226 4.320 0.000 0.000 0.304 275 A C -0.468 177.123 177.584 0.012 0.000 1.064 275 A CA -0.071 51.863 52.037 -0.172 0.000 0.727 275 A CB 1.457 20.432 19.000 -0.041 0.000 1.284 275 A HN 2.344 nan 8.150 nan 0.000 0.415 276 V N -1.009 118.952 119.914 0.077 0.000 3.007 276 V HA 0.638 4.758 4.120 0.000 0.000 0.311 276 V C -0.424 175.751 176.094 0.135 0.000 1.120 276 V CA -1.265 61.122 62.300 0.145 0.000 0.980 276 V CB 1.442 33.374 31.823 0.183 0.000 1.033 276 V HN 0.891 nan 8.190 nan 0.000 0.429 277 K N 1.734 122.212 120.400 0.129 0.000 2.319 277 K HA 0.617 4.937 4.320 0.000 0.000 0.265 277 K C 0.466 177.095 176.600 0.048 0.000 1.000 277 K CA 0.380 56.718 56.287 0.085 0.000 0.943 277 K CB 0.935 33.481 32.500 0.078 0.000 0.950 277 K HN 1.117 nan 8.250 nan 0.000 0.485 278 A N 3.514 126.320 122.820 -0.022 0.000 2.386 278 A HA 0.257 4.577 4.320 0.000 0.000 0.248 278 A C -2.107 175.372 177.584 -0.175 0.000 1.082 278 A CA -1.202 50.746 52.037 -0.149 0.000 0.789 278 A CB -0.290 18.643 19.000 -0.111 0.000 1.025 278 A HN 0.467 nan 8.150 nan 0.000 0.490 279 P HA 0.404 nan 4.420 nan 0.000 0.275 279 P C 0.539 177.785 177.300 -0.090 0.000 1.228 279 P CA 1.400 64.357 63.100 -0.238 0.000 0.786 279 P CB 0.600 32.041 31.700 -0.431 0.000 0.927 280 G N 2.009 110.831 108.800 0.036 0.000 2.860 280 G HA2 -0.024 3.936 3.960 0.000 0.000 0.553 280 G HA3 -0.024 3.936 3.960 0.000 0.000 0.553 280 G C -0.961 174.045 174.900 0.177 0.000 1.439 280 G CA -0.300 44.853 45.100 0.090 0.000 0.879 280 G HN 0.665 nan 8.290 nan 0.000 0.545 281 F N -1.130 118.817 119.950 -0.004 0.000 2.578 281 F HA 0.822 5.350 4.527 0.000 0.000 0.311 281 F C 0.965 176.769 175.800 0.006 0.000 1.094 281 F CA -0.062 57.938 58.000 0.001 0.000 0.923 281 F CB 1.283 40.289 39.000 0.011 0.000 1.230 281 F HN 2.390 nan 8.300 nan 0.000 0.450 282 G N 2.363 111.201 108.800 0.064 0.000 2.536 282 G HA2 -0.320 3.640 3.960 0.000 0.000 0.280 282 G HA3 -0.320 3.640 3.960 0.000 0.000 0.280 282 G C 0.374 175.232 174.900 -0.071 0.000 1.152 282 G CA 0.517 45.616 45.100 -0.002 0.000 0.970 282 G HN 0.754 nan 8.290 nan 0.000 0.549 283 D N 0.514 120.856 120.400 -0.097 0.000 2.264 283 D HA -0.004 4.636 4.640 0.000 0.000 0.208 283 D C 2.460 178.694 176.300 -0.109 0.000 0.966 283 D CA 1.195 55.145 54.000 -0.083 0.000 0.864 283 D CB -0.128 40.634 40.800 -0.064 0.000 0.933 283 D HN 0.290 nan 8.370 nan 0.000 0.499 284 R N 1.022 121.414 120.500 -0.180 0.000 2.066 284 R HA -0.018 4.322 4.340 0.000 0.000 0.232 284 R C 2.234 178.456 176.300 -0.131 0.000 1.131 284 R CA 1.024 57.018 56.100 -0.177 0.000 0.955 284 R CB -0.360 29.777 30.300 -0.271 0.000 0.851 284 R HN 0.155 nan 8.270 nan 0.000 0.432 285 R N 1.015 121.442 120.500 -0.121 0.000 2.127 285 R HA -0.164 4.176 4.340 0.000 0.000 0.238 285 R C 1.285 177.540 176.300 -0.075 0.000 1.134 285 R CA 1.472 57.519 56.100 -0.089 0.000 0.975 285 R CB -0.245 30.023 30.300 -0.053 0.000 0.865 285 R HN 0.077 nan 8.270 nan 0.000 0.447 286 K N 0.890 121.252 120.400 -0.062 0.000 1.988 286 K HA -0.183 4.137 4.320 0.000 0.000 0.221 286 K C 2.221 178.790 176.600 -0.051 0.000 1.053 286 K CA 2.026 58.284 56.287 -0.048 0.000 0.959 286 K CB -0.630 31.846 32.500 -0.040 0.000 0.728 286 K HN 0.351 nan 8.250 nan 0.000 0.447 287 A N 1.408 124.195 122.820 -0.055 0.000 1.930 287 A HA -0.088 4.232 4.320 0.000 0.000 0.217 287 A C 2.237 179.786 177.584 -0.059 0.000 1.175 287 A CA 1.237 53.244 52.037 -0.050 0.000 0.627 287 A CB -0.371 18.600 19.000 -0.049 0.000 0.815 287 A HN 0.225 nan 8.150 nan 0.000 0.443 288 M N -1.217 118.337 119.600 -0.077 0.000 2.202 288 M HA -0.144 4.336 4.480 0.000 0.000 0.262 288 M C 2.134 178.368 176.300 -0.110 0.000 1.063 288 M CA 1.377 56.620 55.300 -0.094 0.000 1.097 288 M CB -0.515 32.015 32.600 -0.116 0.000 1.382 288 M HN 0.501 nan 8.290 nan 0.000 0.413 289 L N 0.033 121.194 121.223 -0.103 0.000 2.162 289 L HA -0.123 4.217 4.340 0.000 0.000 0.205 289 L C 2.333 179.169 176.870 -0.057 0.000 1.086 289 L CA 1.525 56.306 54.840 -0.099 0.000 0.778 289 L CB -0.575 41.433 42.059 -0.085 0.000 0.928 289 L HN 0.189 nan 8.230 nan 0.000 0.446 290 Q N -0.160 119.613 119.800 -0.044 0.000 2.226 290 Q HA -0.214 4.126 4.340 0.000 0.000 0.204 290 Q C 1.622 177.610 176.000 -0.020 0.000 0.975 290 Q CA 1.863 57.650 55.803 -0.027 0.000 0.866 290 Q CB -0.241 28.482 28.738 -0.025 0.000 0.915 290 Q HN 0.521 nan 8.270 nan 0.000 0.440 291 D N -0.310 120.074 120.400 -0.026 0.000 2.097 291 D HA -0.143 4.497 4.640 0.000 0.000 0.195 291 D C 1.727 178.028 176.300 0.002 0.000 0.989 291 D CA 1.497 55.489 54.000 -0.014 0.000 0.827 291 D CB -0.184 40.606 40.800 -0.017 0.000 0.966 291 D HN 0.387 nan 8.370 nan 0.000 0.456 292 I N 0.858 121.428 120.570 0.001 0.000 2.286 292 I HA -0.231 3.940 4.170 0.000 0.000 0.248 292 I C 2.441 178.573 176.117 0.026 0.000 1.115 292 I CA 0.835 62.154 61.300 0.031 0.000 1.392 292 I CB -0.399 37.624 38.000 0.039 0.000 1.065 292 I HN -0.074 nan 8.210 nan 0.000 0.418 293 A N 1.293 124.119 122.820 0.011 0.000 1.859 293 A HA -0.257 4.064 4.320 0.000 0.000 0.217 293 A C 2.431 180.023 177.584 0.013 0.000 1.198 293 A CA 2.892 54.937 52.037 0.013 0.000 0.629 293 A CB -1.347 17.656 19.000 0.004 0.000 0.830 293 A HN 0.400 nan 8.150 nan 0.000 0.446 294 T N 0.074 114.633 114.554 0.007 0.000 2.665 294 T HA -0.214 4.137 4.350 0.000 0.000 0.268 294 T C 1.820 176.525 174.700 0.009 0.000 1.035 294 T CA 1.729 63.832 62.100 0.006 0.000 1.151 294 T CB -0.474 68.395 68.868 0.002 0.000 0.862 294 T HN 0.354 nan 8.240 nan 0.000 0.438 295 L N 1.665 122.896 121.223 0.014 0.000 2.141 295 L HA -0.027 4.313 4.340 0.000 0.000 0.209 295 L C 2.353 179.231 176.870 0.013 0.000 1.094 295 L CA 2.017 56.866 54.840 0.015 0.000 0.763 295 L CB -0.804 41.271 42.059 0.026 0.000 0.908 295 L HN 0.437 nan 8.230 nan 0.000 0.437 296 T N -4.291 110.274 114.554 0.018 0.000 3.069 296 T HA 0.337 4.687 4.350 0.000 0.000 0.252 296 T C 1.324 176.033 174.700 0.015 0.000 1.053 296 T CA 0.156 62.265 62.100 0.015 0.000 0.964 296 T CB -0.242 68.642 68.868 0.026 0.000 1.005 296 T HN 0.557 nan 8.240 nan 0.000 0.532 297 G N 0.737 109.546 108.800 0.015 0.000 2.283 297 G HA2 -0.019 3.942 3.960 0.000 0.000 0.280 297 G HA3 -0.019 3.942 3.960 0.000 0.000 0.280 297 G C 0.356 175.272 174.900 0.027 0.000 1.029 297 G CA -0.093 45.017 45.100 0.017 0.000 0.840 297 G HN 1.049 nan 8.290 nan 0.000 0.505 298 G N -1.589 107.229 108.800 0.030 0.000 2.509 298 G HA2 0.733 4.693 3.960 0.000 0.000 0.328 298 G HA3 0.733 4.693 3.960 0.000 0.000 0.328 298 G C -0.233 174.683 174.900 0.026 0.000 1.194 298 G CA 0.169 45.292 45.100 0.038 0.000 0.967 298 G HN 0.537 nan 8.290 nan 0.000 0.488 299 T N 0.250 114.819 114.554 0.025 0.000 2.824 299 T HA 0.462 4.812 4.350 0.000 0.000 0.280 299 T C 0.298 175.005 174.700 0.012 0.000 0.995 299 T CA -0.355 61.754 62.100 0.015 0.000 1.009 299 T CB 1.487 70.363 68.868 0.014 0.000 0.955 299 T HN 0.674 nan 8.240 nan 0.000 0.452 300 V N 1.577 121.494 119.914 0.005 0.000 2.461 300 V HA 0.479 4.599 4.120 0.000 0.000 0.275 300 V C -0.104 175.990 176.094 0.000 0.000 1.047 300 V CA -0.820 61.481 62.300 0.001 0.000 0.955 300 V CB -0.088 31.731 31.823 -0.006 0.000 0.988 300 V HN 0.726 nan 8.190 nan 0.000 0.471 301 I N 4.577 125.148 120.570 0.001 0.000 2.241 301 I HA 0.246 4.416 4.170 0.000 0.000 0.294 301 I C 0.719 176.836 176.117 -0.000 0.000 1.145 301 I CA 0.740 62.040 61.300 0.001 0.000 1.261 301 I CB 0.103 38.104 38.000 0.002 0.000 1.475 301 I HN 0.660 nan 8.210 nan 0.000 0.533 302 S N 4.602 120.300 115.700 -0.002 0.000 2.513 302 S HA 0.243 4.714 4.470 0.000 0.000 0.276 302 S C 1.126 175.725 174.600 -0.001 0.000 1.254 302 S CA -0.782 57.417 58.200 -0.002 0.000 1.053 302 S CB 1.410 64.607 63.200 -0.005 0.000 0.958 302 S HN 0.462 nan 8.310 nan 0.000 0.491 303 E N 2.390 122.591 120.200 0.001 0.000 2.208 303 E HA -0.118 4.232 4.350 0.000 0.000 0.193 303 E C 0.875 177.475 176.600 0.001 0.000 0.988 303 E CA 0.824 57.225 56.400 0.002 0.000 0.828 303 E CB -0.057 29.645 29.700 0.004 0.000 0.763 303 E HN 0.727 nan 8.360 nan 0.000 0.478 304 E N 0.125 120.325 120.200 0.000 0.000 2.516 304 E HA -0.014 4.336 4.350 0.000 0.000 0.199 304 E C 1.405 178.005 176.600 -0.001 0.000 1.069 304 E CA 0.281 56.680 56.400 -0.000 0.000 0.876 304 E CB 0.046 29.745 29.700 -0.001 0.000 0.843 304 E HN 0.283 nan 8.360 nan 0.000 0.530 305 I N -2.066 118.503 120.570 -0.001 0.000 4.323 305 I HA 0.243 4.413 4.170 0.000 0.000 0.328 305 I C 1.513 177.630 176.117 -0.001 0.000 1.310 305 I CA 0.304 61.603 61.300 -0.001 0.000 1.186 305 I CB 1.028 39.027 38.000 -0.002 0.000 1.130 305 I HN 0.228 nan 8.210 nan 0.000 0.411 306 G N 1.460 110.260 108.800 -0.000 0.000 2.307 306 G HA2 -0.206 3.754 3.960 0.000 0.000 0.210 306 G HA3 -0.206 3.754 3.960 0.000 0.000 0.210 306 G C 0.366 175.266 174.900 -0.000 0.000 1.005 306 G CA -0.409 44.691 45.100 -0.000 0.000 0.634 306 G HN 0.166 nan 8.290 nan 0.000 0.496 307 M N 1.546 121.145 119.600 -0.001 0.000 2.248 307 M HA 0.526 5.007 4.480 0.000 0.000 0.345 307 M C 0.424 176.724 176.300 -0.000 0.000 1.243 307 M CA 0.713 56.013 55.300 -0.001 0.000 1.090 307 M CB 0.755 33.355 32.600 -0.001 0.000 1.683 307 M HN 0.279 nan 8.290 nan 0.000 0.450 308 E N 1.685 121.885 120.200 -0.001 0.000 2.316 308 E HA 0.381 4.731 4.350 0.000 0.000 0.258 308 E C 0.177 176.776 176.600 -0.002 0.000 0.952 308 E CA -0.649 55.751 56.400 -0.001 0.000 0.818 308 E CB 1.490 31.190 29.700 -0.001 0.000 1.260 308 E HN 0.737 nan 8.360 nan 0.000 0.416 309 L N 0.896 122.118 121.223 -0.001 0.000 2.240 309 L HA -0.046 4.294 4.340 0.000 0.000 0.211 309 L C 1.945 178.811 176.870 -0.007 0.000 1.106 309 L CA 0.799 55.637 54.840 -0.003 0.000 0.793 309 L CB -0.211 41.848 42.059 -0.000 0.000 0.927 309 L HN 0.566 nan 8.230 nan 0.000 0.446 310 E N 0.704 120.900 120.200 -0.006 0.000 2.268 310 E HA -0.166 4.184 4.350 0.000 0.000 0.195 310 E C 0.571 177.165 176.600 -0.010 0.000 0.995 310 E CA 0.857 57.252 56.400 -0.008 0.000 0.836 310 E CB 0.094 29.791 29.700 -0.006 0.000 0.763 310 E HN 0.311 nan 8.360 nan 0.000 0.491 311 K N 0.548 120.943 120.400 -0.008 0.000 3.000 311 K HA 0.331 4.651 4.320 0.000 0.000 0.239 311 K C -0.974 175.620 176.600 -0.010 0.000 1.269 311 K CA -0.207 56.075 56.287 -0.009 0.000 1.220 311 K CB 1.527 34.023 32.500 -0.006 0.000 1.645 311 K HN -0.032 nan 8.250 nan 0.000 0.423 312 A N 0.235 123.046 122.820 -0.015 0.000 2.459 312 A HA 0.660 4.980 4.320 0.000 0.000 0.296 312 A C -0.477 177.089 177.584 -0.030 0.000 1.039 312 A CA -0.646 51.380 52.037 -0.017 0.000 0.698 312 A CB 1.226 20.217 19.000 -0.014 0.000 1.261 312 A HN 0.214 nan 8.150 nan 0.000 0.405 313 T N 1.583 116.118 114.554 -0.031 0.000 2.905 313 T HA 0.461 4.811 4.350 0.000 0.000 0.283 313 T C 1.415 176.078 174.700 -0.062 0.000 1.031 313 T CA -0.562 61.508 62.100 -0.050 0.000 1.002 313 T CB 0.728 69.574 68.868 -0.037 0.000 1.200 313 T HN 0.399 nan 8.240 nan 0.000 0.560 314 L N 0.824 121.986 121.223 -0.102 0.000 2.043 314 L HA -0.164 4.176 4.340 0.000 0.000 0.212 314 L C 2.705 179.581 176.870 0.009 0.000 1.075 314 L CA 1.781 56.543 54.840 -0.130 0.000 0.752 314 L CB -1.092 40.849 42.059 -0.198 0.000 0.891 314 L HN 0.848 nan 8.230 nan 0.000 0.432 315 E N -0.424 119.786 120.200 0.016 0.000 2.273 315 E HA -0.268 4.082 4.350 0.000 0.000 0.198 315 E C 1.037 177.660 176.600 0.039 0.000 1.002 315 E CA 1.578 58.001 56.400 0.038 0.000 0.828 315 E CB -0.395 29.318 29.700 0.021 0.000 0.747 315 E HN 0.567 nan 8.360 nan 0.000 0.491 316 D N 0.326 120.742 120.400 0.026 0.000 2.240 316 D HA 0.035 4.675 4.640 0.000 0.000 0.206 316 D C 0.344 176.673 176.300 0.048 0.000 0.963 316 D CA 0.200 54.216 54.000 0.027 0.000 0.863 316 D CB 0.107 40.913 40.800 0.010 0.000 0.973 316 D HN 0.121 nan 8.370 nan 0.000 0.501 317 L N 1.247 122.512 121.223 0.070 0.000 2.426 317 L HA 0.276 4.616 4.340 0.000 0.000 0.271 317 L C 1.466 178.427 176.870 0.151 0.000 1.169 317 L CA -0.016 54.897 54.840 0.121 0.000 0.836 317 L CB 0.496 42.657 42.059 0.170 0.000 1.112 317 L HN -0.140 nan 8.230 nan 0.000 0.465 318 G N 2.070 110.940 108.800 0.117 0.000 2.621 318 G HA2 0.466 4.426 3.960 0.000 0.000 0.271 318 G HA3 0.466 4.426 3.960 0.000 0.000 0.271 318 G C -0.753 174.186 174.900 0.065 0.000 1.236 318 G CA -0.332 44.815 45.100 0.079 0.000 0.958 318 G HN 0.558 nan 8.290 nan 0.000 0.512 319 Q N -1.473 118.325 119.800 -0.005 0.000 2.320 319 Q HA 0.549 4.889 4.340 0.000 0.000 0.272 319 Q C -1.199 174.756 176.000 -0.075 0.000 1.023 319 Q CA -0.695 55.050 55.803 -0.096 0.000 0.855 319 Q CB 2.475 31.114 28.738 -0.166 0.000 1.367 319 Q HN 0.850 nan 8.270 nan 0.000 0.406 320 A N 1.664 124.430 122.820 -0.091 0.000 2.520 320 A HA 0.395 4.715 4.320 0.000 0.000 0.298 320 A C -0.252 177.284 177.584 -0.080 0.000 1.051 320 A CA -0.591 51.406 52.037 -0.065 0.000 0.690 320 A CB 1.518 20.496 19.000 -0.036 0.000 1.281 320 A HN 0.773 nan 8.150 nan 0.000 0.402 321 K N -0.139 120.221 120.400 -0.067 0.000 2.280 321 K HA -0.013 4.307 4.320 0.000 0.000 0.202 321 K C 0.712 177.277 176.600 -0.057 0.000 1.047 321 K CA 1.273 57.521 56.287 -0.066 0.000 0.942 321 K CB 0.061 32.529 32.500 -0.052 0.000 0.739 321 K HN 0.617 nan 8.250 nan 0.000 0.457 322 R N -1.503 118.967 120.500 -0.051 0.000 2.747 322 R HA 0.419 4.759 4.340 0.000 0.000 0.272 322 R C -2.049 174.225 176.300 -0.044 0.000 1.032 322 R CA -0.716 55.357 56.100 -0.045 0.000 0.896 322 R CB 2.534 32.810 30.300 -0.040 0.000 1.253 322 R HN -0.111 nan 8.270 nan 0.000 0.461 323 V N 1.571 121.459 119.914 -0.043 0.000 2.809 323 V HA 0.467 4.588 4.120 0.000 0.000 0.290 323 V C -1.758 174.309 176.094 -0.044 0.000 1.305 323 V CA -0.555 61.716 62.300 -0.050 0.000 0.939 323 V CB 1.809 33.607 31.823 -0.042 0.000 1.081 323 V HN 0.580 nan 8.190 nan 0.000 0.439 324 V N 5.651 125.532 119.914 -0.056 0.000 2.495 324 V HA 0.870 4.990 4.120 0.000 0.000 0.298 324 V C -0.695 175.375 176.094 -0.041 0.000 1.031 324 V CA -0.459 61.819 62.300 -0.036 0.000 0.871 324 V CB 1.638 33.443 31.823 -0.030 0.000 0.988 324 V HN 0.788 nan 8.190 nan 0.000 0.432 325 I N 6.236 126.815 120.570 0.015 0.000 2.569 325 I HA 0.583 4.753 4.170 0.000 0.000 0.296 325 I C 0.193 176.396 176.117 0.144 0.000 1.028 325 I CA -0.242 61.091 61.300 0.055 0.000 1.082 325 I CB 2.001 40.069 38.000 0.113 0.000 1.264 325 I HN 0.993 nan 8.210 nan 0.000 0.429 326 N N 4.332 123.081 118.700 0.082 0.000 3.167 326 N HA 0.325 5.065 4.740 0.000 0.000 0.323 326 N C 0.571 175.926 175.510 -0.258 0.000 1.478 326 N CA -0.802 52.311 53.050 0.106 0.000 0.753 326 N CB 1.114 39.631 38.487 0.050 0.000 1.721 326 N HN 0.431 nan 8.380 nan 0.000 0.618 327 K N -0.204 120.017 120.400 -0.299 0.000 2.117 327 K HA -0.256 4.064 4.320 0.000 0.000 0.215 327 K C -0.377 175.938 176.600 -0.474 0.000 1.053 327 K CA 3.008 58.967 56.287 -0.547 0.000 0.935 327 K CB -0.335 32.064 32.500 -0.169 0.000 0.719 327 K HN 0.796 nan 8.250 nan 0.000 0.460 328 D N -2.067 118.187 120.400 -0.243 0.000 2.783 328 D HA 0.105 4.745 4.640 0.000 0.000 0.306 328 D C -1.112 175.140 176.300 -0.079 0.000 1.633 328 D CA -0.464 53.452 54.000 -0.141 0.000 0.796 328 D CB 0.780 41.530 40.800 -0.084 0.000 1.230 328 D HN -0.097 nan 8.370 nan 0.000 0.441 329 T N -0.364 114.132 114.554 -0.098 0.000 2.971 329 T HA 0.618 4.969 4.350 0.000 0.000 0.304 329 T C -0.791 173.811 174.700 -0.164 0.000 1.038 329 T CA -0.565 61.473 62.100 -0.104 0.000 1.007 329 T CB 2.122 70.939 68.868 -0.084 0.000 1.055 329 T HN -0.101 nan 8.240 nan 0.000 0.451 330 T N 2.414 116.768 114.554 -0.333 0.000 2.792 330 T HA 0.698 5.048 4.350 0.000 0.000 0.280 330 T C -0.331 173.990 174.700 -0.633 0.000 0.990 330 T CA -0.601 61.207 62.100 -0.486 0.000 0.960 330 T CB 1.471 69.959 68.868 -0.634 0.000 0.939 330 T HN 0.742 nan 8.240 nan 0.000 0.439 331 T N 3.479 117.816 114.554 -0.362 0.000 2.881 331 T HA 0.628 4.978 4.350 0.000 0.000 0.291 331 T C -0.360 174.238 174.700 -0.170 0.000 0.990 331 T CA -0.960 60.979 62.100 -0.269 0.000 0.976 331 T CB 0.130 68.898 68.868 -0.168 0.000 0.970 331 T HN 0.623 nan 8.240 nan 0.000 0.438 332 I N 2.935 123.427 120.570 -0.130 0.000 2.392 332 I HA 0.683 4.853 4.170 0.000 0.000 0.295 332 I C -0.954 175.136 176.117 -0.045 0.000 0.985 332 I CA -1.242 60.020 61.300 -0.063 0.000 1.221 332 I CB 1.292 39.283 38.000 -0.014 0.000 1.366 332 I HN 0.559 nan 8.210 nan 0.000 0.467 333 I N 4.903 125.448 120.570 -0.042 0.000 2.406 333 I HA 0.308 4.478 4.170 0.000 0.000 0.290 333 I C -0.564 175.533 176.117 -0.033 0.000 0.999 333 I CA -0.369 60.909 61.300 -0.037 0.000 1.124 333 I CB 1.308 39.284 38.000 -0.041 0.000 1.289 333 I HN 0.704 nan 8.210 nan 0.000 0.441 334 D N 5.072 125.456 120.400 -0.027 0.000 4.044 334 D HA -0.118 4.522 4.640 0.000 0.000 0.242 334 D C -0.097 176.187 176.300 -0.027 0.000 1.076 334 D CA 0.762 54.746 54.000 -0.026 0.000 1.171 334 D CB -0.088 40.694 40.800 -0.030 0.000 0.866 334 D HN 0.823 nan 8.370 nan 0.000 0.413 335 G N 1.508 110.298 108.800 -0.018 0.000 2.353 335 G HA2 0.440 4.400 3.960 0.000 0.000 0.284 335 G HA3 0.440 4.400 3.960 0.000 0.000 0.284 335 G C 1.381 176.270 174.900 -0.018 0.000 1.172 335 G CA -0.367 44.724 45.100 -0.015 0.000 0.854 335 G HN 0.345 nan 8.290 nan 0.000 0.485 336 V N 2.631 122.530 119.914 -0.025 0.000 3.305 336 V HA 0.035 4.155 4.120 0.000 0.000 0.269 336 V C 2.057 178.144 176.094 -0.011 0.000 1.157 336 V CA 0.566 62.852 62.300 -0.024 0.000 1.157 336 V CB -1.207 30.595 31.823 -0.036 0.000 0.772 336 V HN 0.775 nan 8.190 nan 0.000 0.498 337 G N 1.229 110.026 108.800 -0.005 0.000 2.265 337 G HA2 0.044 4.004 3.960 0.000 0.000 0.240 337 G HA3 0.044 4.004 3.960 0.000 0.000 0.240 337 G C 0.122 175.021 174.900 -0.002 0.000 1.270 337 G CA -0.190 44.910 45.100 0.000 0.000 0.901 337 G HN 0.307 nan 8.290 nan 0.000 0.507 338 E N 1.687 121.886 120.200 -0.000 0.000 2.481 338 E HA -0.038 4.312 4.350 0.000 0.000 0.263 338 E C 1.233 177.832 176.600 -0.002 0.000 0.992 338 E CA -0.158 56.242 56.400 -0.001 0.000 0.938 338 E CB 0.772 30.472 29.700 0.000 0.000 0.933 338 E HN 0.540 nan 8.360 nan 0.000 0.453 339 E N 2.007 122.205 120.200 -0.003 0.000 2.077 339 E HA -0.166 4.184 4.350 0.000 0.000 0.193 339 E C 1.747 178.346 176.600 -0.002 0.000 0.989 339 E CA 1.347 57.745 56.400 -0.003 0.000 0.800 339 E CB -0.207 29.491 29.700 -0.004 0.000 0.746 339 E HN 0.583 nan 8.360 nan 0.000 0.452 340 A N 1.085 123.903 122.820 -0.002 0.000 1.978 340 A HA -0.106 4.214 4.320 0.000 0.000 0.220 340 A C 2.323 179.906 177.584 -0.002 0.000 1.170 340 A CA 2.031 54.066 52.037 -0.002 0.000 0.636 340 A CB -0.380 18.619 19.000 -0.001 0.000 0.810 340 A HN 0.266 nan 8.150 nan 0.000 0.448 341 A N -0.144 122.676 122.820 -0.001 0.000 1.861 341 A HA 0.096 4.416 4.320 0.000 0.000 0.212 341 A C 2.064 179.647 177.584 -0.001 0.000 1.199 341 A CA 1.194 53.230 52.037 -0.001 0.000 0.613 341 A CB -0.521 18.480 19.000 0.001 0.000 0.846 341 A HN 0.431 nan 8.150 nan 0.000 0.446 342 I N -0.287 120.283 120.570 -0.001 0.000 2.226 342 I HA -0.257 3.913 4.170 0.000 0.000 0.245 342 I C 2.512 178.627 176.117 -0.002 0.000 1.100 342 I CA 1.099 62.398 61.300 -0.001 0.000 1.374 342 I CB -0.265 37.735 38.000 -0.000 0.000 1.057 342 I HN 0.244 nan 8.210 nan 0.000 0.413 343 Q N 0.654 120.452 119.800 -0.003 0.000 2.172 343 Q HA -0.054 4.286 4.340 0.000 0.000 0.200 343 Q C 2.320 178.318 176.000 -0.004 0.000 0.964 343 Q CA 1.498 57.299 55.803 -0.003 0.000 0.855 343 Q CB -0.874 27.862 28.738 -0.003 0.000 0.918 343 Q HN 0.574 nan 8.270 nan 0.000 0.444 344 G N 0.430 109.228 108.800 -0.003 0.000 2.404 344 G HA2 -0.296 3.664 3.960 0.000 0.000 0.215 344 G HA3 -0.296 3.664 3.960 0.000 0.000 0.215 344 G C 1.684 176.581 174.900 -0.005 0.000 1.174 344 G CA 0.811 45.908 45.100 -0.004 0.000 0.780 344 G HN 0.278 nan 8.290 nan 0.000 0.537 345 R N 0.027 120.524 120.500 -0.005 0.000 2.081 345 R HA -0.009 4.331 4.340 0.000 0.000 0.235 345 R C 2.668 178.963 176.300 -0.008 0.000 1.131 345 R CA 1.265 57.360 56.100 -0.007 0.000 0.960 345 R CB -0.748 29.549 30.300 -0.006 0.000 0.856 345 R HN 0.219 nan 8.270 nan 0.000 0.436 346 V N 0.677 120.587 119.914 -0.007 0.000 2.287 346 V HA -0.287 3.833 4.120 0.000 0.000 0.248 346 V C 2.338 178.427 176.094 -0.008 0.000 1.053 346 V CA 2.078 64.374 62.300 -0.008 0.000 1.027 346 V CB -0.990 30.829 31.823 -0.006 0.000 0.646 346 V HN 0.561 nan 8.190 nan 0.000 0.447 347 A N -1.037 121.778 122.820 -0.007 0.000 1.940 347 A HA -0.311 4.009 4.320 0.000 0.000 0.219 347 A C 2.178 179.757 177.584 -0.008 0.000 1.176 347 A CA 2.128 54.161 52.037 -0.007 0.000 0.631 347 A CB -0.484 18.513 19.000 -0.006 0.000 0.814 347 A HN 0.660 nan 8.150 nan 0.000 0.446 348 Q N -0.605 119.190 119.800 -0.009 0.000 2.020 348 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 348 Q C 2.078 178.070 176.000 -0.012 0.000 0.982 348 Q CA 1.731 57.528 55.803 -0.010 0.000 0.838 348 Q CB -0.337 28.395 28.738 -0.010 0.000 0.899 348 Q HN 0.772 nan 8.270 nan 0.000 0.423 349 I N 0.200 120.762 120.570 -0.014 0.000 2.202 349 I HA -0.256 3.914 4.170 0.000 0.000 0.242 349 I C 2.458 178.565 176.117 -0.017 0.000 1.091 349 I CA 0.864 62.153 61.300 -0.018 0.000 1.368 349 I CB -0.321 37.666 38.000 -0.020 0.000 1.058 349 I HN 0.108 nan 8.210 nan 0.000 0.410 350 R N 0.617 121.109 120.500 -0.014 0.000 2.096 350 R HA -0.244 4.096 4.340 0.000 0.000 0.240 350 R C 2.255 178.548 176.300 -0.011 0.000 1.139 350 R CA 1.691 57.783 56.100 -0.013 0.000 0.952 350 R CB -0.721 29.573 30.300 -0.010 0.000 0.854 350 R HN 0.544 nan 8.270 nan 0.000 0.436 351 Q N 0.948 120.742 119.800 -0.010 0.000 2.030 351 Q HA -0.222 4.118 4.340 0.000 0.000 0.204 351 Q C 2.007 178.001 176.000 -0.010 0.000 0.986 351 Q CA 1.692 57.490 55.803 -0.009 0.000 0.843 351 Q CB -0.016 28.717 28.738 -0.008 0.000 0.904 351 Q HN 0.426 nan 8.270 nan 0.000 0.420 352 Q N -0.054 119.738 119.800 -0.012 0.000 2.248 352 Q HA -0.174 4.166 4.340 0.000 0.000 0.208 352 Q C 1.957 177.948 176.000 -0.014 0.000 0.984 352 Q CA 1.286 57.081 55.803 -0.014 0.000 0.875 352 Q CB -0.164 28.563 28.738 -0.018 0.000 0.910 352 Q HN 0.508 nan 8.270 nan 0.000 0.433 353 I N 1.054 121.615 120.570 -0.015 0.000 2.614 353 I HA -0.236 3.934 4.170 0.000 0.000 0.258 353 I C 2.438 178.549 176.117 -0.010 0.000 1.189 353 I CA 0.901 62.192 61.300 -0.016 0.000 1.462 353 I CB -0.530 37.460 38.000 -0.017 0.000 1.092 353 I HN 0.317 nan 8.210 nan 0.000 0.442 354 E N 1.753 121.948 120.200 -0.008 0.000 2.209 354 E HA -0.297 4.053 4.350 0.000 0.000 0.196 354 E C 1.610 178.208 176.600 -0.003 0.000 0.993 354 E CA 1.449 57.846 56.400 -0.005 0.000 0.819 354 E CB -0.119 29.578 29.700 -0.005 0.000 0.745 354 E HN 0.483 nan 8.360 nan 0.000 0.477 355 E N 1.242 121.439 120.200 -0.004 0.000 2.033 355 E HA -0.123 4.227 4.350 0.000 0.000 0.199 355 E C 1.049 177.651 176.600 0.002 0.000 1.011 355 E CA 2.002 58.401 56.400 -0.001 0.000 0.815 355 E CB -0.444 29.255 29.700 -0.002 0.000 0.755 355 E HN 0.494 nan 8.360 nan 0.000 0.451 356 A N -0.494 122.328 122.820 0.002 0.000 2.687 356 A HA -0.269 4.051 4.320 0.000 0.000 0.299 356 A C 1.232 178.823 177.584 0.013 0.000 1.497 356 A CA 1.189 53.230 52.037 0.007 0.000 0.751 356 A CB -2.343 16.660 19.000 0.005 0.000 1.048 356 A HN 0.312 nan 8.150 nan 0.000 0.464 357 T N -1.229 113.335 114.554 0.016 0.000 3.043 357 T HA 0.350 4.700 4.350 0.000 0.000 0.263 357 T C 0.798 175.516 174.700 0.031 0.000 1.094 357 T CA 1.155 63.268 62.100 0.020 0.000 1.127 357 T CB 0.121 69.001 68.868 0.019 0.000 0.905 357 T HN 1.437 nan 8.240 nan 0.000 0.490 358 S N -0.137 115.589 115.700 0.043 0.000 2.537 358 S HA 0.300 4.771 4.470 0.000 0.000 0.270 358 S C -0.973 173.669 174.600 0.069 0.000 1.142 358 S CA -0.698 57.542 58.200 0.066 0.000 0.870 358 S CB 1.618 64.880 63.200 0.103 0.000 1.112 358 S HN 0.018 nan 8.310 nan 0.000 0.466 359 D N 1.344 121.789 120.400 0.075 0.000 2.371 359 D HA 0.061 4.701 4.640 0.000 0.000 0.221 359 D C 0.901 177.259 176.300 0.096 0.000 0.986 359 D CA 0.770 54.809 54.000 0.066 0.000 0.899 359 D CB 0.001 40.836 40.800 0.057 0.000 0.902 359 D HN 0.572 nan 8.370 nan 0.000 0.530 360 Y N 0.820 121.121 120.300 0.001 0.000 2.301 360 Y HA -0.012 4.538 4.550 0.000 0.000 0.295 360 Y C 1.245 177.141 175.900 -0.008 0.000 1.119 360 Y CA 1.131 59.231 58.100 -0.000 0.000 1.162 360 Y CB 0.191 38.653 38.460 0.002 0.000 1.046 360 Y HN -0.173 nan 8.280 nan 0.000 0.538 361 D N -0.496 119.938 120.400 0.057 0.000 2.149 361 D HA -0.078 4.562 4.640 0.000 0.000 0.201 361 D C 2.136 178.395 176.300 -0.068 0.000 0.972 361 D CA 0.963 54.948 54.000 -0.024 0.000 0.835 361 D CB -0.129 40.696 40.800 0.041 0.000 0.966 361 D HN 0.163 nan 8.370 nan 0.000 0.476 362 R N 0.559 121.037 120.500 -0.036 0.000 2.073 362 R HA -0.115 4.225 4.340 0.000 0.000 0.234 362 R C 2.083 178.345 176.300 -0.064 0.000 1.134 362 R CA 1.184 57.262 56.100 -0.037 0.000 0.952 362 R CB -0.042 30.250 30.300 -0.013 0.000 0.850 362 R HN 0.227 nan 8.270 nan 0.000 0.433 363 E N 0.332 120.483 120.200 -0.083 0.000 2.150 363 E HA -0.215 4.135 4.350 0.000 0.000 0.193 363 E C 1.662 178.171 176.600 -0.152 0.000 0.985 363 E CA 1.136 57.477 56.400 -0.098 0.000 0.814 363 E CB 0.206 29.856 29.700 -0.083 0.000 0.752 363 E HN 0.028 nan 8.360 nan 0.000 0.466 364 K N 0.229 120.485 120.400 -0.241 0.000 2.116 364 K HA 0.016 4.336 4.320 0.000 0.000 0.203 364 K C 2.077 178.584 176.600 -0.156 0.000 1.052 364 K CA 0.557 56.683 56.287 -0.269 0.000 0.952 364 K CB 0.030 32.267 32.500 -0.439 0.000 0.729 364 K HN 0.117 nan 8.250 nan 0.000 0.446 365 L N 0.181 121.333 121.223 -0.119 0.000 2.217 365 L HA -0.095 4.245 4.340 0.000 0.000 0.211 365 L C 2.366 179.201 176.870 -0.059 0.000 1.107 365 L CA 0.758 55.552 54.840 -0.077 0.000 0.783 365 L CB -0.239 41.785 42.059 -0.058 0.000 0.919 365 L HN 0.210 nan 8.230 nan 0.000 0.442 366 Q N 0.734 120.497 119.800 -0.061 0.000 2.079 366 Q HA -0.205 4.135 4.340 0.000 0.000 0.200 366 Q C 1.981 177.958 176.000 -0.039 0.000 0.974 366 Q CA 1.576 57.353 55.803 -0.043 0.000 0.840 366 Q CB 0.019 28.733 28.738 -0.039 0.000 0.898 366 Q HN 0.411 nan 8.270 nan 0.000 0.430 367 E N -0.562 119.607 120.200 -0.051 0.000 2.160 367 E HA -0.190 4.160 4.350 0.000 0.000 0.195 367 E C 2.064 178.648 176.600 -0.026 0.000 0.991 367 E CA 0.818 57.195 56.400 -0.037 0.000 0.810 367 E CB 0.008 29.678 29.700 -0.049 0.000 0.742 367 E HN 0.247 nan 8.360 nan 0.000 0.466 368 R N -0.008 120.470 120.500 -0.037 0.000 2.075 368 R HA -0.064 4.276 4.340 0.000 0.000 0.226 368 R C 2.396 178.685 176.300 -0.017 0.000 1.114 368 R CA 0.878 56.962 56.100 -0.028 0.000 0.972 368 R CB -0.086 30.190 30.300 -0.041 0.000 0.869 368 R HN 0.038 nan 8.270 nan 0.000 0.437 369 V N 1.181 121.083 119.914 -0.021 0.000 2.332 369 V HA -0.282 3.838 4.120 0.000 0.000 0.248 369 V C 2.439 178.528 176.094 -0.008 0.000 1.055 369 V CA 2.007 64.299 62.300 -0.014 0.000 1.038 369 V CB -0.852 30.962 31.823 -0.016 0.000 0.651 369 V HN 0.410 nan 8.190 nan 0.000 0.450 370 A N 0.188 123.002 122.820 -0.009 0.000 1.851 370 A HA -0.242 4.078 4.320 0.000 0.000 0.216 370 A C 2.313 179.898 177.584 0.003 0.000 1.195 370 A CA 2.061 54.096 52.037 -0.004 0.000 0.622 370 A CB -0.536 18.461 19.000 -0.005 0.000 0.831 370 A HN 0.465 nan 8.150 nan 0.000 0.444 371 K N -0.921 119.485 120.400 0.009 0.000 2.044 371 K HA -0.164 4.156 4.320 0.000 0.000 0.210 371 K C 1.946 178.557 176.600 0.019 0.000 1.049 371 K CA 1.393 57.694 56.287 0.023 0.000 0.927 371 K CB -0.746 31.780 32.500 0.043 0.000 0.713 371 K HN 0.398 nan 8.250 nan 0.000 0.443 372 L N 0.773 122.003 121.223 0.013 0.000 2.007 372 L HA -0.038 4.302 4.340 0.000 0.000 0.205 372 L C 2.204 179.077 176.870 0.005 0.000 1.073 372 L CA 1.989 56.835 54.840 0.011 0.000 0.744 372 L CB -0.882 41.180 42.059 0.005 0.000 0.898 372 L HN 0.152 nan 8.230 nan 0.000 0.435 373 A N -1.412 121.409 122.820 0.001 0.000 2.132 373 A HA 0.197 4.517 4.320 0.000 0.000 0.213 373 A C 2.164 179.747 177.584 -0.001 0.000 1.154 373 A CA 0.787 52.824 52.037 -0.001 0.000 0.753 373 A CB -1.001 17.997 19.000 -0.003 0.000 0.826 373 A HN 0.490 nan 8.150 nan 0.000 0.469 374 G N -0.380 108.420 108.800 -0.000 0.000 2.421 374 G HA2 0.359 4.319 3.960 0.000 0.000 0.217 374 G HA3 0.359 4.319 3.960 0.000 0.000 0.217 374 G C 1.114 176.012 174.900 -0.003 0.000 1.143 374 G CA 0.681 45.780 45.100 -0.001 0.000 0.784 374 G HN 1.645 nan 8.290 nan 0.000 0.541 375 G N -1.771 107.028 108.800 -0.001 0.000 2.855 375 G HA2 0.027 3.987 3.960 0.000 0.000 0.352 375 G HA3 0.027 3.987 3.960 0.000 0.000 0.352 375 G C -0.703 174.192 174.900 -0.008 0.000 1.415 375 G CA -0.342 44.755 45.100 -0.004 0.000 0.871 375 G HN 0.987 nan 8.290 nan 0.000 0.543 376 V N 0.501 120.407 119.914 -0.013 0.000 2.531 376 V HA 0.734 4.854 4.120 0.000 0.000 0.301 376 V C 0.739 176.821 176.094 -0.021 0.000 1.034 376 V CA -0.081 62.207 62.300 -0.019 0.000 0.865 376 V CB 1.418 33.226 31.823 -0.025 0.000 0.995 376 V HN 2.054 nan 8.190 nan 0.000 0.424 377 A N 4.655 127.462 122.820 -0.022 0.000 2.276 377 A HA 0.732 5.052 4.320 0.000 0.000 0.300 377 A C -0.176 177.392 177.584 -0.026 0.000 1.235 377 A CA -0.388 51.636 52.037 -0.022 0.000 0.867 377 A CB 0.901 19.890 19.000 -0.019 0.000 1.137 377 A HN 1.424 nan 8.150 nan 0.000 0.527 378 V N 2.053 121.952 119.914 -0.025 0.000 2.435 378 V HA 0.727 4.847 4.120 0.000 0.000 0.290 378 V C -0.359 175.720 176.094 -0.024 0.000 1.030 378 V CA -0.687 61.596 62.300 -0.027 0.000 0.881 378 V CB 1.018 32.825 31.823 -0.027 0.000 0.983 378 V HN 0.634 nan 8.190 nan 0.000 0.445 379 I N 5.121 125.675 120.570 -0.027 0.000 2.321 379 I HA 0.461 4.631 4.170 0.000 0.000 0.291 379 I C 0.230 176.333 176.117 -0.022 0.000 0.998 379 I CA -0.477 60.809 61.300 -0.023 0.000 1.227 379 I CB 1.513 39.498 38.000 -0.025 0.000 1.368 379 I HN 0.634 nan 8.210 nan 0.000 0.466 380 K N 5.989 126.378 120.400 -0.019 0.000 2.263 380 K HA 0.433 4.753 4.320 0.000 0.000 0.272 380 K C -0.892 175.699 176.600 -0.015 0.000 1.033 380 K CA -0.663 55.613 56.287 -0.018 0.000 0.884 380 K CB 2.108 34.598 32.500 -0.016 0.000 1.107 380 K HN 0.306 nan 8.250 nan 0.000 0.460 381 V N 3.015 122.920 119.914 -0.015 0.000 2.427 381 V HA 0.169 4.289 4.120 0.000 0.000 0.268 381 V C 0.790 176.878 176.094 -0.011 0.000 1.046 381 V CA -0.483 61.809 62.300 -0.013 0.000 0.970 381 V CB 0.902 32.718 31.823 -0.013 0.000 1.001 381 V HN 0.888 nan 8.190 nan 0.000 0.476 382 G N 3.569 112.363 108.800 -0.010 0.000 2.400 382 G HA2 0.755 4.715 3.960 0.000 0.000 0.301 382 G HA3 0.755 4.715 3.960 0.000 0.000 0.301 382 G C -0.372 174.523 174.900 -0.008 0.000 1.154 382 G CA 0.260 45.355 45.100 -0.009 0.000 0.852 382 G HN 1.194 nan 8.290 nan 0.000 0.511 383 A N -0.103 122.713 122.820 -0.007 0.000 2.586 383 A HA 0.794 5.114 4.320 0.000 0.000 0.290 383 A C 0.699 178.279 177.584 -0.006 0.000 1.086 383 A CA 0.357 52.390 52.037 -0.007 0.000 0.665 383 A CB 0.538 19.534 19.000 -0.006 0.000 1.279 383 A HN 1.723 nan 8.150 nan 0.000 0.423 384 A N -0.352 122.465 122.820 -0.005 0.000 1.855 384 A HA 0.431 4.751 4.320 0.000 0.000 0.213 384 A C 1.405 178.986 177.584 -0.005 0.000 1.195 384 A CA 2.276 54.310 52.037 -0.005 0.000 0.610 384 A CB -0.642 18.355 19.000 -0.005 0.000 0.837 384 A HN 1.841 nan 8.150 nan 0.000 0.444 385 T N -2.243 112.308 114.554 -0.005 0.000 2.940 385 T HA 0.357 4.707 4.350 0.000 0.000 0.288 385 T C 0.726 175.423 174.700 -0.005 0.000 1.033 385 T CA -0.009 62.088 62.100 -0.005 0.000 1.033 385 T CB 1.624 70.489 68.868 -0.004 0.000 1.079 385 T HN 0.380 nan 8.240 nan 0.000 0.496 386 E N 1.186 121.383 120.200 -0.005 0.000 2.153 386 E HA -0.099 4.251 4.350 0.000 0.000 0.194 386 E C 1.899 178.496 176.600 -0.005 0.000 0.988 386 E CA 1.242 57.639 56.400 -0.005 0.000 0.811 386 E CB -0.036 29.661 29.700 -0.005 0.000 0.746 386 E HN 0.579 nan 8.360 nan 0.000 0.466 387 V N 0.921 120.833 119.914 -0.004 0.000 2.270 387 V HA -0.244 3.876 4.120 0.000 0.000 0.245 387 V C 2.340 178.432 176.094 -0.004 0.000 1.043 387 V CA 2.114 64.412 62.300 -0.004 0.000 1.014 387 V CB -0.643 31.178 31.823 -0.003 0.000 0.645 387 V HN 0.309 nan 8.190 nan 0.000 0.447 388 E N -0.473 119.724 120.200 -0.004 0.000 2.097 388 E HA -0.273 4.077 4.350 0.000 0.000 0.196 388 E C 2.265 178.862 176.600 -0.005 0.000 1.000 388 E CA 1.734 58.131 56.400 -0.005 0.000 0.804 388 E CB -0.133 29.564 29.700 -0.005 0.000 0.740 388 E HN 0.439 nan 8.360 nan 0.000 0.454 389 M N 0.677 120.273 119.600 -0.006 0.000 2.126 389 M HA -0.215 4.265 4.480 0.000 0.000 0.259 389 M C 1.919 178.215 176.300 -0.006 0.000 1.073 389 M CA 1.791 57.087 55.300 -0.006 0.000 1.103 389 M CB -0.342 32.254 32.600 -0.007 0.000 1.284 389 M HN -0.067 nan 8.290 nan 0.000 0.420 390 K N -0.415 119.982 120.400 -0.006 0.000 2.574 390 K HA -0.126 4.194 4.320 0.000 0.000 0.193 390 K C 1.797 178.395 176.600 -0.004 0.000 1.035 390 K CA 0.431 56.715 56.287 -0.005 0.000 0.982 390 K CB 0.041 32.538 32.500 -0.005 0.000 0.795 390 K HN 0.342 nan 8.250 nan 0.000 0.491 391 E N 1.486 121.684 120.200 -0.004 0.000 2.057 391 E HA -0.101 4.249 4.350 0.000 0.000 0.190 391 E C 1.760 178.358 176.600 -0.003 0.000 0.969 391 E CA 0.962 57.360 56.400 -0.003 0.000 0.812 391 E CB 0.222 29.920 29.700 -0.003 0.000 0.777 391 E HN 0.093 nan 8.360 nan 0.000 0.455 392 K N 1.103 121.500 120.400 -0.004 0.000 2.063 392 K HA -0.172 4.148 4.320 0.000 0.000 0.208 392 K C 2.286 178.882 176.600 -0.006 0.000 1.048 392 K CA 1.405 57.689 56.287 -0.005 0.000 0.928 392 K CB -0.095 32.402 32.500 -0.006 0.000 0.713 392 K HN -0.087 nan 8.250 nan 0.000 0.442 393 K N 0.133 120.529 120.400 -0.007 0.000 2.113 393 K HA -0.194 4.126 4.320 0.000 0.000 0.208 393 K C 1.876 178.471 176.600 -0.008 0.000 1.047 393 K CA 1.471 57.752 56.287 -0.010 0.000 0.928 393 K CB -0.143 32.350 32.500 -0.010 0.000 0.716 393 K HN 0.242 nan 8.250 nan 0.000 0.446 394 A N 1.000 123.819 122.820 -0.003 0.000 1.898 394 A HA -0.111 4.209 4.320 0.000 0.000 0.216 394 A C 2.075 179.663 177.584 0.008 0.000 1.181 394 A CA 1.181 53.219 52.037 0.003 0.000 0.620 394 A CB -0.318 18.686 19.000 0.005 0.000 0.819 394 A HN 0.302 nan 8.150 nan 0.000 0.442 395 R N -0.733 119.770 120.500 0.004 0.000 2.148 395 R HA -0.014 4.326 4.340 0.000 0.000 0.223 395 R C 1.940 178.243 176.300 0.005 0.000 1.088 395 R CA 1.108 57.212 56.100 0.007 0.000 0.985 395 R CB -0.322 29.979 30.300 0.003 0.000 0.880 395 R HN 0.384 nan 8.270 nan 0.000 0.451 396 V N 0.997 120.909 119.914 -0.003 0.000 2.295 396 V HA -0.245 3.875 4.120 0.000 0.000 0.246 396 V C 1.878 177.961 176.094 -0.019 0.000 1.049 396 V CA 1.862 64.156 62.300 -0.011 0.000 1.024 396 V CB -0.360 31.453 31.823 -0.016 0.000 0.648 396 V HN 0.332 nan 8.190 nan 0.000 0.447 397 E N -0.274 119.912 120.200 -0.023 0.000 2.110 397 E HA -0.222 4.128 4.350 0.000 0.000 0.193 397 E C 2.024 178.621 176.600 -0.004 0.000 0.988 397 E CA 1.344 57.716 56.400 -0.047 0.000 0.804 397 E CB -0.147 29.529 29.700 -0.040 0.000 0.745 397 E HN 0.579 nan 8.360 nan 0.000 0.458 398 D N 0.154 120.582 120.400 0.046 0.000 2.097 398 D HA -0.154 4.486 4.640 0.000 0.000 0.195 398 D C 1.905 178.258 176.300 0.087 0.000 0.989 398 D CA 1.396 55.452 54.000 0.093 0.000 0.827 398 D CB -0.199 40.633 40.800 0.053 0.000 0.966 398 D HN 0.169 nan 8.370 nan 0.000 0.456 399 A N 0.880 123.725 122.820 0.041 0.000 1.858 399 A HA -0.137 4.183 4.320 0.000 0.000 0.216 399 A C 2.339 179.943 177.584 0.033 0.000 1.190 399 A CA 1.029 53.085 52.037 0.032 0.000 0.617 399 A CB -0.979 18.028 19.000 0.013 0.000 0.827 399 A HN 0.245 nan 8.150 nan 0.000 0.443 400 L N -1.063 120.162 121.223 0.003 0.000 2.021 400 L HA -0.300 4.040 4.340 0.000 0.000 0.215 400 L C 2.613 179.488 176.870 0.009 0.000 1.074 400 L CA 2.310 57.136 54.840 -0.023 0.000 0.760 400 L CB -0.468 41.543 42.059 -0.081 0.000 0.889 400 L HN 0.521 nan 8.230 nan 0.000 0.433 401 H N -0.513 118.554 119.070 -0.005 0.000 2.265 401 H HA -0.169 4.387 4.556 0.000 0.000 0.295 401 H C 2.143 177.471 175.328 -0.001 0.000 1.084 401 H CA 1.747 57.793 56.048 -0.003 0.000 1.261 401 H CB -0.507 29.252 29.762 -0.005 0.000 1.360 401 H HN 0.532 nan 8.280 nan 0.000 0.487 402 A N -0.173 122.732 122.820 0.142 0.000 2.015 402 A HA -0.125 4.195 4.320 0.000 0.000 0.219 402 A C 2.566 180.181 177.584 0.052 0.000 1.163 402 A CA 1.911 53.990 52.037 0.070 0.000 0.646 402 A CB -0.584 18.443 19.000 0.045 0.000 0.806 402 A HN 0.499 nan 8.150 nan 0.000 0.448 403 T N -0.638 113.946 114.554 0.049 0.000 2.851 403 T HA -0.068 4.282 4.350 0.000 0.000 0.262 403 T C 2.040 176.759 174.700 0.032 0.000 1.043 403 T CA 1.122 63.240 62.100 0.031 0.000 1.140 403 T CB -0.202 68.678 68.868 0.019 0.000 0.872 403 T HN 0.472 nan 8.240 nan 0.000 0.446 404 R N 0.977 121.501 120.500 0.040 0.000 2.105 404 R HA -0.011 4.329 4.340 0.000 0.000 0.239 404 R C 2.710 179.036 176.300 0.044 0.000 1.135 404 R CA 1.360 57.484 56.100 0.039 0.000 0.967 404 R CB -0.398 29.931 30.300 0.049 0.000 0.861 404 R HN 0.394 nan 8.270 nan 0.000 0.442 405 A N 0.616 123.468 122.820 0.053 0.000 1.930 405 A HA 0.033 4.353 4.320 0.000 0.000 0.215 405 A C 2.266 179.868 177.584 0.031 0.000 1.176 405 A CA 1.234 53.296 52.037 0.043 0.000 0.632 405 A CB -0.331 18.694 19.000 0.041 0.000 0.819 405 A HN 0.371 nan 8.150 nan 0.000 0.445 406 A N -0.336 122.501 122.820 0.029 0.000 1.930 406 A HA 0.042 4.362 4.320 0.000 0.000 0.217 406 A C 2.185 179.781 177.584 0.020 0.000 1.175 406 A CA 1.660 53.711 52.037 0.022 0.000 0.627 406 A CB -0.825 18.187 19.000 0.020 0.000 0.815 406 A HN 0.337 nan 8.150 nan 0.000 0.443 407 V N 0.136 120.062 119.914 0.020 0.000 2.261 407 V HA -0.295 3.825 4.120 0.000 0.000 0.246 407 V C 2.421 178.526 176.094 0.018 0.000 1.047 407 V CA 2.364 64.675 62.300 0.017 0.000 1.015 407 V CB -0.937 30.896 31.823 0.016 0.000 0.642 407 V HN 0.634 nan 8.190 nan 0.000 0.446 408 E N -0.153 120.060 120.200 0.021 0.000 2.058 408 E HA -0.206 4.144 4.350 0.000 0.000 0.194 408 E C 1.683 178.294 176.600 0.020 0.000 0.997 408 E CA 1.612 58.025 56.400 0.021 0.000 0.801 408 E CB -0.028 29.688 29.700 0.026 0.000 0.746 408 E HN 0.694 nan 8.360 nan 0.000 0.450 409 E N -0.889 119.323 120.200 0.020 0.000 2.715 409 E HA 0.236 4.586 4.350 0.000 0.000 0.224 409 E C 0.255 176.866 176.600 0.017 0.000 0.962 409 E CA 0.135 56.546 56.400 0.018 0.000 1.145 409 E CB 1.628 31.339 29.700 0.019 0.000 1.083 409 E HN 0.225 nan 8.360 nan 0.000 0.506 410 G N 1.505 110.316 108.800 0.017 0.000 2.760 410 G HA2 -0.220 3.740 3.960 0.000 0.000 0.246 410 G HA3 -0.220 3.740 3.960 0.000 0.000 0.246 410 G C -0.198 174.712 174.900 0.017 0.000 1.359 410 G CA -0.417 44.693 45.100 0.016 0.000 0.861 410 G HN 0.464 nan 8.290 nan 0.000 0.541 411 V N -2.294 117.630 119.914 0.016 0.000 2.960 411 V HA 0.993 5.113 4.120 0.000 0.000 0.315 411 V C 0.712 176.816 176.094 0.017 0.000 1.087 411 V CA 0.274 62.584 62.300 0.016 0.000 0.982 411 V CB 1.313 33.145 31.823 0.014 0.000 1.039 411 V HN 2.520 nan 8.190 nan 0.000 0.437 412 V N -0.806 119.118 119.914 0.017 0.000 3.165 412 V HA 0.997 5.117 4.120 0.000 0.000 0.309 412 V C 0.362 176.467 176.094 0.019 0.000 1.267 412 V CA -0.769 61.544 62.300 0.020 0.000 1.067 412 V CB 1.170 33.006 31.823 0.022 0.000 1.082 412 V HN 2.137 nan 8.190 nan 0.000 0.451 413 A N 0.262 123.096 122.820 0.024 0.000 2.548 413 A HA 0.540 4.861 4.320 0.000 0.000 0.247 413 A C 1.253 178.846 177.584 0.016 0.000 1.067 413 A CA 0.525 52.575 52.037 0.021 0.000 0.757 413 A CB -0.111 18.908 19.000 0.032 0.000 0.996 413 A HN 2.064 nan 8.150 nan 0.000 0.504 414 G N 1.656 110.459 108.800 0.006 0.000 3.088 414 G HA2 0.290 4.250 3.960 0.000 0.000 0.217 414 G HA3 0.290 4.250 3.960 0.000 0.000 0.217 414 G C 0.863 175.764 174.900 0.001 0.000 1.159 414 G CA 0.719 45.821 45.100 0.002 0.000 0.760 414 G HN 1.113 nan 8.290 nan 0.000 0.550 415 G N -0.416 108.387 108.800 0.004 0.000 3.314 415 G HA2 0.408 4.368 3.960 0.000 0.000 0.238 415 G HA3 0.408 4.368 3.960 0.000 0.000 0.238 415 G C 1.224 176.143 174.900 0.031 0.000 1.184 415 G CA 0.319 45.424 45.100 0.009 0.000 0.806 415 G HN 1.132 nan 8.290 nan 0.000 0.536 416 G N -0.732 108.084 108.800 0.027 0.000 2.317 416 G HA2 -0.392 3.568 3.960 0.000 0.000 0.227 416 G HA3 -0.392 3.568 3.960 0.000 0.000 0.227 416 G C 1.485 176.408 174.900 0.038 0.000 1.042 416 G CA 0.577 45.697 45.100 0.033 0.000 0.623 416 G HN 0.665 nan 8.290 nan 0.000 0.509 417 V N 1.715 121.655 119.914 0.043 0.000 2.242 417 V HA -0.236 3.884 4.120 0.000 0.000 0.257 417 V C 3.408 179.529 176.094 0.046 0.000 1.073 417 V CA 3.946 66.276 62.300 0.050 0.000 1.058 417 V CB -1.699 30.151 31.823 0.045 0.000 0.664 417 V HN 1.546 nan 8.190 nan 0.000 0.451 418 A N -0.247 122.596 122.820 0.038 0.000 1.884 418 A HA -0.233 4.087 4.320 0.000 0.000 0.219 418 A C 2.218 179.822 177.584 0.033 0.000 1.197 418 A CA 2.419 54.477 52.037 0.035 0.000 0.637 418 A CB -0.652 18.365 19.000 0.029 0.000 0.827 418 A HN 0.436 nan 8.150 nan 0.000 0.450 419 L N -0.544 120.698 121.223 0.031 0.000 2.017 419 L HA -0.143 4.197 4.340 0.000 0.000 0.208 419 L C 2.560 179.448 176.870 0.030 0.000 1.073 419 L CA 1.503 56.360 54.840 0.028 0.000 0.745 419 L CB -1.101 40.974 42.059 0.026 0.000 0.894 419 L HN 0.372 nan 8.230 nan 0.000 0.432 420 I N -0.275 120.316 120.570 0.036 0.000 2.264 420 I HA -0.311 3.859 4.170 0.000 0.000 0.248 420 I C 2.722 178.863 176.117 0.039 0.000 1.111 420 I CA 1.096 62.419 61.300 0.038 0.000 1.382 420 I CB -0.440 37.588 38.000 0.047 0.000 1.060 420 I HN 0.319 nan 8.210 nan 0.000 0.418 421 R N 1.116 121.643 120.500 0.044 0.000 2.061 421 R HA -0.135 4.205 4.340 0.000 0.000 0.230 421 R C 2.354 178.673 176.300 0.033 0.000 1.140 421 R CA 2.213 58.341 56.100 0.045 0.000 0.940 421 R CB -0.663 29.668 30.300 0.052 0.000 0.839 421 R HN 0.273 nan 8.270 nan 0.000 0.429 422 V N -0.855 119.076 119.914 0.029 0.000 2.469 422 V HA -0.124 3.997 4.120 0.000 0.000 0.251 422 V C 2.160 178.265 176.094 0.019 0.000 1.064 422 V CA 1.837 64.150 62.300 0.022 0.000 1.066 422 V CB -1.262 30.573 31.823 0.020 0.000 0.667 422 V HN 0.411 nan 8.190 nan 0.000 0.461 423 A N 1.560 124.392 122.820 0.020 0.000 1.858 423 A HA -0.166 4.154 4.320 0.000 0.000 0.216 423 A C 2.631 180.225 177.584 0.015 0.000 1.190 423 A CA 2.636 54.683 52.037 0.017 0.000 0.617 423 A CB -1.195 17.816 19.000 0.018 0.000 0.827 423 A HN 1.031 nan 8.150 nan 0.000 0.443 424 S N -0.483 115.228 115.700 0.019 0.000 2.474 424 S HA -0.108 4.362 4.470 0.000 0.000 0.235 424 S C 1.779 176.386 174.600 0.013 0.000 0.997 424 S CA 1.291 59.500 58.200 0.016 0.000 0.949 424 S CB -0.275 62.937 63.200 0.020 0.000 0.766 424 S HN 0.541 nan 8.310 nan 0.000 0.517 425 K N 1.128 121.537 120.400 0.015 0.000 1.991 425 K HA 0.058 4.378 4.320 0.000 0.000 0.207 425 K C 1.004 177.609 176.600 0.009 0.000 1.045 425 K CA 1.230 57.524 56.287 0.012 0.000 0.937 425 K CB -0.545 31.963 32.500 0.014 0.000 0.720 425 K HN 0.519 nan 8.250 nan 0.000 0.438 426 L N -0.007 121.222 121.223 0.009 0.000 2.873 426 L HA 0.301 4.641 4.340 0.000 0.000 0.236 426 L C 0.849 177.722 176.870 0.006 0.000 1.375 426 L CA -0.168 54.675 54.840 0.006 0.000 1.239 426 L CB 0.199 42.262 42.059 0.006 0.000 1.603 426 L HN -0.091 nan 8.230 nan 0.000 0.430 427 A N -1.290 121.534 122.820 0.005 0.000 2.415 427 A HA 0.186 4.506 4.320 0.000 0.000 0.248 427 A C 1.140 178.726 177.584 0.003 0.000 1.299 427 A CA -0.001 52.039 52.037 0.005 0.000 0.899 427 A CB -0.138 18.865 19.000 0.005 0.000 0.997 427 A HN 0.426 nan 8.150 nan 0.000 0.506 428 D N -1.009 119.393 120.400 0.003 0.000 2.423 428 D HA 0.104 4.744 4.640 0.000 0.000 0.212 428 D C 0.393 176.694 176.300 0.002 0.000 1.060 428 D CA -0.171 53.830 54.000 0.002 0.000 0.872 428 D CB 0.001 40.802 40.800 0.001 0.000 1.012 428 D HN 0.292 nan 8.370 nan 0.000 0.503 429 L N 2.410 123.635 121.223 0.002 0.000 2.693 429 L HA -0.106 4.234 4.340 0.000 0.000 0.292 429 L C 0.421 177.292 176.870 0.002 0.000 1.243 429 L CA 0.911 55.752 54.840 0.002 0.000 0.903 429 L CB 0.020 42.081 42.059 0.002 0.000 1.160 429 L HN -0.109 nan 8.230 nan 0.000 0.496 430 R N 3.213 123.713 120.500 0.001 0.000 2.892 430 R HA 0.747 5.087 4.340 0.000 0.000 0.265 430 R C 0.007 176.308 176.300 0.001 0.000 1.025 430 R CA -0.297 55.804 56.100 0.001 0.000 0.982 430 R CB 1.411 31.711 30.300 0.001 0.000 1.185 430 R HN 0.772 nan 8.270 nan 0.000 0.484 431 G N -0.023 108.777 108.800 0.001 0.000 3.119 431 G HA2 0.298 4.258 3.960 0.000 0.000 0.206 431 G HA3 0.298 4.258 3.960 0.000 0.000 0.206 431 G C -0.163 174.737 174.900 0.001 0.000 1.313 431 G CA -0.111 44.989 45.100 0.001 0.000 1.010 431 G HN 0.360 nan 8.290 nan 0.000 0.578 432 Q N -0.633 119.167 119.800 0.001 0.000 2.499 432 Q HA 0.161 4.501 4.340 0.000 0.000 0.213 432 Q C 1.100 177.100 176.000 0.001 0.000 0.929 432 Q CA 0.021 55.824 55.803 0.000 0.000 0.904 432 Q CB -0.094 28.645 28.738 0.000 0.000 1.052 432 Q HN 0.532 nan 8.270 nan 0.000 0.589 433 N N 1.547 120.248 118.700 0.001 0.000 2.483 433 N HA -0.078 4.662 4.740 0.000 0.000 0.264 433 N C 0.635 176.145 175.510 0.001 0.000 1.197 433 N CA -0.068 52.983 53.050 0.001 0.000 0.927 433 N CB 0.602 39.090 38.487 0.001 0.000 1.065 433 N HN 0.257 nan 8.380 nan 0.000 0.461 434 E N 2.554 122.755 120.200 0.001 0.000 2.208 434 E HA -0.305 4.045 4.350 0.000 0.000 0.202 434 E C 0.441 177.042 176.600 0.001 0.000 1.014 434 E CA 1.743 58.144 56.400 0.001 0.000 0.819 434 E CB 0.163 29.863 29.700 0.001 0.000 0.735 434 E HN 0.601 nan 8.360 nan 0.000 0.469 435 D N -0.158 120.243 120.400 0.002 0.000 2.224 435 D HA -0.111 4.529 4.640 0.000 0.000 0.205 435 D C 1.766 178.067 176.300 0.002 0.000 0.965 435 D CA 0.794 54.795 54.000 0.002 0.000 0.852 435 D CB -0.059 40.742 40.800 0.002 0.000 0.947 435 D HN 0.405 nan 8.370 nan 0.000 0.494 436 Q N 0.038 119.839 119.800 0.002 0.000 2.187 436 Q HA -0.061 4.279 4.340 0.000 0.000 0.199 436 Q C 1.747 177.748 176.000 0.002 0.000 0.957 436 Q CA 0.455 56.260 55.803 0.002 0.000 0.857 436 Q CB 0.158 28.897 28.738 0.001 0.000 0.929 436 Q HN 0.183 nan 8.270 nan 0.000 0.453 437 N N 0.337 119.038 118.700 0.002 0.000 2.007 437 N HA -0.175 4.565 4.740 0.000 0.000 0.197 437 N C 1.907 177.419 175.510 0.002 0.000 1.050 437 N CA 1.507 54.558 53.050 0.002 0.000 0.856 437 N CB -0.793 37.695 38.487 0.002 0.000 1.050 437 N HN 0.034 nan 8.380 nan 0.000 0.423 438 V N 1.064 120.980 119.914 0.002 0.000 2.313 438 V HA -0.267 3.853 4.120 0.000 0.000 0.253 438 V C 2.444 178.540 176.094 0.004 0.000 1.070 438 V CA 2.175 64.477 62.300 0.003 0.000 1.057 438 V CB -1.497 30.328 31.823 0.003 0.000 0.653 438 V HN 0.439 nan 8.190 nan 0.000 0.450 439 G N 0.057 108.859 108.800 0.003 0.000 2.459 439 G HA2 -0.257 3.703 3.960 0.000 0.000 0.217 439 G HA3 -0.257 3.703 3.960 0.000 0.000 0.217 439 G C 1.533 176.435 174.900 0.004 0.000 1.183 439 G CA 1.339 46.441 45.100 0.004 0.000 0.776 439 G HN 0.523 nan 8.290 nan 0.000 0.552 440 I N 0.459 121.031 120.570 0.003 0.000 2.163 440 I HA -0.176 3.994 4.170 0.000 0.000 0.243 440 I C 2.827 178.947 176.117 0.004 0.000 1.085 440 I CA 1.419 62.721 61.300 0.003 0.000 1.347 440 I CB -0.208 37.794 38.000 0.003 0.000 1.044 440 I HN 0.089 nan 8.210 nan 0.000 0.408 441 K N 0.485 120.888 120.400 0.004 0.000 2.002 441 K HA -0.147 4.173 4.320 0.000 0.000 0.209 441 K C 2.182 178.785 176.600 0.006 0.000 1.048 441 K CA 1.472 57.761 56.287 0.005 0.000 0.930 441 K CB -0.441 32.061 32.500 0.004 0.000 0.714 441 K HN 0.095 nan 8.250 nan 0.000 0.438 442 V N 1.584 121.501 119.914 0.006 0.000 2.250 442 V HA -0.371 3.749 4.120 0.000 0.000 0.253 442 V C 2.395 178.494 176.094 0.008 0.000 1.065 442 V CA 2.333 64.637 62.300 0.007 0.000 1.039 442 V CB -0.756 31.071 31.823 0.007 0.000 0.647 442 V HN 0.467 nan 8.190 nan 0.000 0.446 443 A N -1.061 121.764 122.820 0.007 0.000 1.873 443 A HA -0.140 4.180 4.320 0.000 0.000 0.215 443 A C 2.215 179.804 177.584 0.009 0.000 1.186 443 A CA 1.855 53.897 52.037 0.008 0.000 0.616 443 A CB -0.519 18.485 19.000 0.006 0.000 0.823 443 A HN 0.497 nan 8.150 nan 0.000 0.442 444 L N -1.011 120.217 121.223 0.008 0.000 2.012 444 L HA -0.199 4.141 4.340 0.000 0.000 0.210 444 L C 2.863 179.740 176.870 0.011 0.000 1.073 444 L CA 1.956 56.802 54.840 0.009 0.000 0.748 444 L CB -0.426 41.638 42.059 0.008 0.000 0.891 444 L HN 0.489 nan 8.230 nan 0.000 0.431 445 R N 0.093 120.598 120.500 0.010 0.000 2.189 445 R HA -0.101 4.239 4.340 0.000 0.000 0.218 445 R C 2.121 178.428 176.300 0.011 0.000 1.074 445 R CA 1.016 57.121 56.100 0.010 0.000 0.991 445 R CB -0.052 30.253 30.300 0.008 0.000 0.883 445 R HN 0.331 nan 8.270 nan 0.000 0.457 446 A N 0.702 123.529 122.820 0.012 0.000 2.014 446 A HA -0.075 4.245 4.320 0.000 0.000 0.218 446 A C 1.983 179.577 177.584 0.016 0.000 1.163 446 A CA 0.903 52.948 52.037 0.014 0.000 0.652 446 A CB -0.253 18.756 19.000 0.014 0.000 0.808 446 A HN 0.335 nan 8.150 nan 0.000 0.449 447 M N -0.339 119.270 119.600 0.016 0.000 2.557 447 M HA -0.070 4.410 4.480 0.000 0.000 0.259 447 M C 1.175 177.487 176.300 0.021 0.000 1.086 447 M CA 0.900 56.211 55.300 0.019 0.000 1.096 447 M CB -0.269 32.341 32.600 0.018 0.000 1.424 447 M HN 0.449 nan 8.290 nan 0.000 0.488 448 E N 0.662 120.874 120.200 0.019 0.000 2.481 448 E HA 0.051 4.401 4.350 0.000 0.000 0.195 448 E C 2.041 178.653 176.600 0.020 0.000 1.047 448 E CA 0.430 56.842 56.400 0.021 0.000 0.867 448 E CB 0.023 29.733 29.700 0.017 0.000 0.858 448 E HN 0.484 nan 8.360 nan 0.000 0.513 449 A N 2.693 125.524 122.820 0.018 0.000 1.865 449 A HA -0.132 4.188 4.320 0.000 0.000 0.217 449 A C -0.220 177.375 177.584 0.019 0.000 1.191 449 A CA 1.286 53.333 52.037 0.017 0.000 0.623 449 A CB -1.418 17.592 19.000 0.016 0.000 0.826 449 A HN 0.136 nan 8.150 nan 0.000 0.444 450 P HA -0.146 nan 4.420 nan 0.000 0.214 450 P C 1.779 179.097 177.300 0.029 0.000 1.163 450 P CA 1.034 64.148 63.100 0.023 0.000 0.883 450 P CB -0.120 31.593 31.700 0.022 0.000 0.788 451 L N -0.360 120.884 121.223 0.035 0.000 1.970 451 L HA -0.192 4.148 4.340 0.000 0.000 0.212 451 L C 2.458 179.352 176.870 0.041 0.000 1.071 451 L CA 1.987 56.856 54.840 0.048 0.000 0.751 451 L CB -0.839 41.253 42.059 0.055 0.000 0.889 451 L HN -0.271 nan 8.230 nan 0.000 0.432 452 R N -1.029 119.487 120.500 0.027 0.000 2.119 452 R HA -0.273 4.067 4.340 0.000 0.000 0.246 452 R C 2.386 178.698 176.300 0.019 0.000 1.146 452 R CA 2.061 58.171 56.100 0.017 0.000 0.962 452 R CB -0.409 29.898 30.300 0.012 0.000 0.863 452 R HN 0.480 nan 8.270 nan 0.000 0.442 453 Q N 0.383 120.196 119.800 0.022 0.000 2.049 453 Q HA -0.064 4.276 4.340 0.000 0.000 0.198 453 Q C 1.869 177.885 176.000 0.027 0.000 0.971 453 Q CA 1.480 57.295 55.803 0.020 0.000 0.833 453 Q CB -0.055 28.693 28.738 0.017 0.000 0.896 453 Q HN 0.269 nan 8.270 nan 0.000 0.434 454 I N -0.134 120.456 120.570 0.035 0.000 2.118 454 I HA -0.301 3.869 4.170 0.000 0.000 0.241 454 I C 2.168 178.322 176.117 0.061 0.000 1.070 454 I CA 1.287 62.613 61.300 0.043 0.000 1.327 454 I CB -1.127 36.904 38.000 0.052 0.000 1.034 454 I HN 0.113 nan 8.210 nan 0.000 0.405 455 V N 0.922 120.883 119.914 0.078 0.000 2.282 455 V HA -0.295 3.825 4.120 0.000 0.000 0.249 455 V C 2.566 178.687 176.094 0.046 0.000 1.057 455 V CA 1.900 64.249 62.300 0.082 0.000 1.032 455 V CB -0.684 31.151 31.823 0.020 0.000 0.645 455 V HN 0.331 nan 8.190 nan 0.000 0.447 456 L N 0.648 121.888 121.223 0.028 0.000 2.017 456 L HA -0.153 4.187 4.340 0.000 0.000 0.208 456 L C 2.261 179.142 176.870 0.019 0.000 1.073 456 L CA 1.992 56.843 54.840 0.018 0.000 0.745 456 L CB -0.852 41.214 42.059 0.012 0.000 0.894 456 L HN 0.322 nan 8.230 nan 0.000 0.432 457 N N -0.888 117.824 118.700 0.020 0.000 2.192 457 N HA -0.209 4.531 4.740 0.000 0.000 0.188 457 N C 1.778 177.299 175.510 0.018 0.000 1.013 457 N CA 1.747 54.807 53.050 0.016 0.000 0.863 457 N CB -0.934 37.562 38.487 0.014 0.000 0.990 457 N HN 0.437 nan 8.380 nan 0.000 0.430 458 C N -0.676 118.642 119.300 0.029 0.000 2.472 458 C HA 0.196 4.657 4.460 0.000 0.000 0.278 458 C C 1.783 176.790 174.990 0.029 0.000 1.447 458 C CA 0.501 59.538 59.018 0.032 0.000 1.773 458 C CB -1.261 26.516 27.740 0.061 0.000 1.793 458 C HN 0.663 nan 8.230 nan 0.000 0.544 459 G N 0.702 109.517 108.800 0.025 0.000 2.159 459 G HA2 -0.172 3.788 3.960 0.000 0.000 0.256 459 G HA3 -0.172 3.788 3.960 0.000 0.000 0.256 459 G C -0.165 174.747 174.900 0.020 0.000 0.977 459 G CA 0.256 45.367 45.100 0.019 0.000 0.652 459 G HN 0.590 nan 8.290 nan 0.000 0.531 460 E N 0.591 120.807 120.200 0.026 0.000 2.280 460 E HA 0.400 4.750 4.350 0.000 0.000 0.261 460 E C 0.036 176.631 176.600 -0.008 0.000 1.088 460 E CA -0.797 55.611 56.400 0.013 0.000 0.915 460 E CB 0.929 30.641 29.700 0.021 0.000 1.141 460 E HN 0.392 nan 8.360 nan 0.000 0.433 461 E N 1.637 121.823 120.200 -0.024 0.000 2.366 461 E HA 0.034 4.384 4.350 0.000 0.000 0.266 461 E C -1.723 174.848 176.600 -0.049 0.000 1.015 461 E CA -1.277 55.105 56.400 -0.029 0.000 0.906 461 E CB 0.738 30.422 29.700 -0.027 0.000 0.979 461 E HN 0.247 nan 8.360 nan 0.000 0.443 462 P HA -0.138 nan 4.420 nan 0.000 0.211 462 P C 1.557 178.837 177.300 -0.035 0.000 1.188 462 P CA 1.145 64.226 63.100 -0.032 0.000 0.904 462 P CB -0.005 31.688 31.700 -0.012 0.000 0.765 463 S N -0.177 115.510 115.700 -0.021 0.000 2.408 463 S HA -0.247 4.223 4.470 0.000 0.000 0.241 463 S C 2.036 176.620 174.600 -0.026 0.000 1.080 463 S CA 2.372 60.561 58.200 -0.018 0.000 1.109 463 S CB -2.049 61.143 63.200 -0.013 0.000 0.966 463 S HN -0.050 nan 8.310 nan 0.000 0.449 464 V N 1.377 121.270 119.914 -0.034 0.000 2.270 464 V HA -0.106 4.014 4.120 0.000 0.000 0.245 464 V C 2.721 178.785 176.094 -0.049 0.000 1.043 464 V CA 1.691 63.969 62.300 -0.036 0.000 1.014 464 V CB -0.764 31.042 31.823 -0.028 0.000 0.645 464 V HN 0.502 nan 8.190 nan 0.000 0.447 465 V N 0.241 120.096 119.914 -0.098 0.000 2.343 465 V HA -0.274 3.846 4.120 0.000 0.000 0.247 465 V C 2.669 178.740 176.094 -0.038 0.000 1.051 465 V CA 2.028 64.244 62.300 -0.140 0.000 1.036 465 V CB -1.072 30.480 31.823 -0.451 0.000 0.654 465 V HN 0.565 nan 8.190 nan 0.000 0.451 466 A N 0.762 123.563 122.820 -0.032 0.000 1.845 466 A HA -0.324 3.996 4.320 0.000 0.000 0.215 466 A C 2.069 179.657 177.584 0.007 0.000 1.195 466 A CA 2.443 54.481 52.037 0.002 0.000 0.616 466 A CB -0.998 18.002 19.000 0.000 0.000 0.832 466 A HN 0.679 nan 8.150 nan 0.000 0.443 467 N N -0.272 118.423 118.700 -0.009 0.000 2.061 467 N HA -0.218 4.522 4.740 0.000 0.000 0.193 467 N C 1.797 177.296 175.510 -0.018 0.000 1.030 467 N CA 3.416 56.459 53.050 -0.012 0.000 0.856 467 N CB -0.586 37.889 38.487 -0.020 0.000 1.023 467 N HN 0.508 nan 8.380 nan 0.000 0.424 468 T N -2.167 112.359 114.554 -0.048 0.000 2.904 468 T HA -0.010 4.340 4.350 0.000 0.000 0.267 468 T C 1.940 176.642 174.700 0.004 0.000 1.059 468 T CA 1.247 63.290 62.100 -0.096 0.000 1.137 468 T CB -0.719 67.976 68.868 -0.289 0.000 0.879 468 T HN 0.034 nan 8.240 nan 0.000 0.467 469 V N 1.947 121.896 119.914 0.059 0.000 2.295 469 V HA -0.145 3.975 4.120 0.000 0.000 0.246 469 V C 2.878 179.060 176.094 0.147 0.000 1.049 469 V CA 1.939 64.328 62.300 0.148 0.000 1.024 469 V CB -0.551 31.349 31.823 0.129 0.000 0.648 469 V HN 0.533 nan 8.190 nan 0.000 0.447 470 K N 0.267 120.714 120.400 0.078 0.000 2.113 470 K HA -0.172 4.149 4.320 0.000 0.000 0.208 470 K C 2.161 178.786 176.600 0.042 0.000 1.047 470 K CA 1.584 57.903 56.287 0.054 0.000 0.928 470 K CB -0.715 31.801 32.500 0.028 0.000 0.716 470 K HN 0.583 nan 8.250 nan 0.000 0.446 471 G N 1.040 109.857 108.800 0.028 0.000 2.498 471 G HA2 -0.117 3.843 3.960 0.000 0.000 0.219 471 G HA3 -0.117 3.843 3.960 0.000 0.000 0.219 471 G C 0.845 175.718 174.900 -0.045 0.000 1.119 471 G CA 0.847 45.938 45.100 -0.014 0.000 0.766 471 G HN 0.387 nan 8.290 nan 0.000 0.552 472 G N -1.057 107.745 108.800 0.002 0.000 2.630 472 G HA2 0.518 4.478 3.960 0.000 0.000 0.223 472 G HA3 0.518 4.478 3.960 0.000 0.000 0.223 472 G C -0.951 173.944 174.900 -0.009 0.000 1.434 472 G CA -0.422 44.620 45.100 -0.097 0.000 1.057 472 G HN 0.153 nan 8.290 nan 0.000 0.570 473 D N -2.073 118.334 120.400 0.011 0.000 2.583 473 D HA 0.474 5.114 4.640 0.000 0.000 0.248 473 D C 0.816 177.165 176.300 0.083 0.000 1.209 473 D CA 0.503 54.523 54.000 0.033 0.000 0.848 473 D CB 1.917 42.712 40.800 -0.009 0.000 1.431 473 D HN 0.839 nan 8.370 nan 0.000 0.436 474 G N 1.583 110.422 108.800 0.064 0.000 2.672 474 G HA2 -0.335 3.625 3.960 0.000 0.000 0.324 474 G HA3 -0.335 3.625 3.960 0.000 0.000 0.324 474 G C 0.384 175.342 174.900 0.097 0.000 1.286 474 G CA 0.245 45.386 45.100 0.068 0.000 1.004 474 G HN 0.593 nan 8.290 nan 0.000 0.548 475 N N 0.404 119.166 118.700 0.104 0.000 2.376 475 N HA 0.173 4.913 4.740 0.000 0.000 0.249 475 N C -0.197 175.400 175.510 0.145 0.000 1.140 475 N CA -0.001 53.109 53.050 0.100 0.000 0.870 475 N CB 0.356 38.883 38.487 0.066 0.000 1.124 475 N HN 0.460 nan 8.380 nan 0.000 0.505 476 Y N 1.219 121.548 120.300 0.049 0.000 2.442 476 Y HA 0.417 4.967 4.550 0.000 0.000 0.330 476 Y C 0.812 176.773 175.900 0.102 0.000 1.129 476 Y CA 0.180 58.323 58.100 0.071 0.000 1.365 476 Y CB 0.437 38.930 38.460 0.054 0.000 1.233 476 Y HN 0.146 nan 8.280 nan 0.000 0.529 477 G N 3.816 112.384 108.800 -0.387 0.000 2.634 477 G HA2 0.261 4.221 3.960 0.000 0.000 0.309 477 G HA3 0.261 4.221 3.960 0.000 0.000 0.309 477 G C -2.495 172.341 174.900 -0.107 0.000 1.299 477 G CA -0.880 44.112 45.100 -0.181 0.000 0.798 477 G HN 0.528 nan 8.290 nan 0.000 0.490 478 Y N 1.251 121.488 120.300 -0.105 0.000 2.352 478 Y HA 0.656 5.207 4.550 0.000 0.000 0.339 478 Y C -0.404 175.383 175.900 -0.189 0.000 0.992 478 Y CA -1.552 56.421 58.100 -0.212 0.000 1.100 478 Y CB 1.903 40.272 38.460 -0.151 0.000 1.192 478 Y HN 0.450 nan 8.280 nan 0.000 0.458 479 N N 4.690 122.986 118.700 -0.674 0.000 2.589 479 N HA 0.259 4.999 4.740 0.000 0.000 0.232 479 N C 0.386 175.402 175.510 -0.823 0.000 1.015 479 N CA 0.386 53.111 53.050 -0.541 0.000 0.931 479 N CB 1.132 39.413 38.487 -0.344 0.000 1.150 479 N HN 0.852 nan 8.380 nan 0.000 0.512 480 A N 3.461 125.887 122.820 -0.657 0.000 2.024 480 A HA -0.096 4.224 4.320 0.000 0.000 0.220 480 A C 2.044 179.446 177.584 -0.304 0.000 1.164 480 A CA 1.826 53.570 52.037 -0.489 0.000 0.643 480 A CB -0.634 18.300 19.000 -0.110 0.000 0.806 480 A HN 0.715 nan 8.150 nan 0.000 0.451 481 A N -0.637 122.034 122.820 -0.250 0.000 1.898 481 A HA -0.040 4.280 4.320 0.000 0.000 0.216 481 A C 2.281 179.766 177.584 -0.166 0.000 1.181 481 A CA 2.307 54.248 52.037 -0.160 0.000 0.620 481 A CB -0.807 18.119 19.000 -0.123 0.000 0.819 481 A HN 0.861 nan 8.150 nan 0.000 0.442 482 T N -3.113 111.305 114.554 -0.225 0.000 3.044 482 T HA 0.226 4.576 4.350 0.000 0.000 0.260 482 T C 0.189 174.757 174.700 -0.220 0.000 1.019 482 T CA 0.670 62.661 62.100 -0.181 0.000 0.921 482 T CB -0.358 68.420 68.868 -0.150 0.000 1.053 482 T HN 0.637 nan 8.240 nan 0.000 0.533 483 E N 0.721 120.695 120.200 -0.377 0.000 2.440 483 E HA -0.211 4.139 4.350 0.000 0.000 0.246 483 E C -0.842 175.557 176.600 -0.336 0.000 1.165 483 E CA 0.621 56.772 56.400 -0.415 0.000 0.726 483 E CB -2.378 27.276 29.700 -0.077 0.000 1.271 483 E HN 0.744 nan 8.360 nan 0.000 0.397 484 E N -0.266 119.688 120.200 -0.409 0.000 2.212 484 E HA 0.501 4.851 4.350 0.000 0.000 0.268 484 E C -0.658 175.747 176.600 -0.325 0.000 0.902 484 E CA -0.779 55.469 56.400 -0.253 0.000 0.779 484 E CB 1.006 30.642 29.700 -0.107 0.000 1.172 484 E HN 0.133 nan 8.360 nan 0.000 0.409 485 Y N 0.677 120.980 120.300 0.005 0.000 2.316 485 Y HA 0.661 5.211 4.550 0.000 0.000 0.324 485 Y C 1.141 176.969 175.900 -0.120 0.000 1.267 485 Y CA 0.261 58.282 58.100 -0.131 0.000 1.311 485 Y CB 1.515 39.909 38.460 -0.110 0.000 1.267 485 Y HN 0.668 nan 8.280 nan 0.000 0.516 486 G N 0.510 109.238 108.800 -0.120 0.000 2.344 486 G HA2 -0.042 3.918 3.960 0.000 0.000 0.282 486 G HA3 -0.042 3.918 3.960 0.000 0.000 0.282 486 G C -1.858 173.075 174.900 0.055 0.000 1.281 486 G CA -1.174 43.974 45.100 0.080 0.000 0.877 486 G HN 0.535 nan 8.290 nan 0.000 0.494 487 N N 1.288 120.056 118.700 0.113 0.000 2.402 487 N HA 0.120 4.860 4.740 0.000 0.000 0.252 487 N C 1.769 177.297 175.510 0.030 0.000 1.118 487 N CA -0.505 52.602 53.050 0.095 0.000 0.945 487 N CB 0.717 39.261 38.487 0.095 0.000 1.147 487 N HN 0.389 nan 8.380 nan 0.000 0.495 488 M N 3.518 123.124 119.600 0.010 0.000 2.144 488 M HA -0.193 4.287 4.480 0.000 0.000 0.260 488 M C 1.717 178.014 176.300 -0.005 0.000 1.067 488 M CA 1.333 56.625 55.300 -0.014 0.000 1.095 488 M CB -0.545 32.049 32.600 -0.010 0.000 1.365 488 M HN 0.589 nan 8.290 nan 0.000 0.406 489 I N -0.011 120.566 120.570 0.013 0.000 2.233 489 I HA -0.262 3.908 4.170 0.000 0.000 0.243 489 I C 1.911 178.033 176.117 0.009 0.000 1.093 489 I CA 1.025 62.332 61.300 0.011 0.000 1.380 489 I CB -0.381 37.630 38.000 0.019 0.000 1.067 489 I HN 0.190 nan 8.210 nan 0.000 0.413 490 D N 0.850 121.260 120.400 0.015 0.000 2.106 490 D HA -0.214 4.426 4.640 0.000 0.000 0.191 490 D C 2.117 178.418 176.300 0.001 0.000 0.997 490 D CA 1.615 55.623 54.000 0.013 0.000 0.834 490 D CB -0.267 40.547 40.800 0.024 0.000 0.956 490 D HN 0.284 nan 8.370 nan 0.000 0.448 491 M N -0.682 118.914 119.600 -0.007 0.000 2.700 491 M HA 0.088 4.568 4.480 0.000 0.000 0.249 491 M C 1.028 177.310 176.300 -0.030 0.000 1.082 491 M CA 0.858 56.143 55.300 -0.025 0.000 1.077 491 M CB 0.120 32.693 32.600 -0.046 0.000 1.477 491 M HN 0.136 nan 8.290 nan 0.000 0.529 492 G N 1.557 110.345 108.800 -0.020 0.000 2.160 492 G HA2 -0.189 3.771 3.960 0.000 0.000 0.244 492 G HA3 -0.189 3.771 3.960 0.000 0.000 0.244 492 G C -0.234 174.651 174.900 -0.024 0.000 1.022 492 G CA -0.426 44.663 45.100 -0.018 0.000 0.741 492 G HN 0.378 nan 8.290 nan 0.000 0.508 493 I N 1.399 121.953 120.570 -0.028 0.000 2.460 493 I HA 0.538 4.708 4.170 0.000 0.000 0.277 493 I C 0.466 176.573 176.117 -0.016 0.000 1.057 493 I CA -1.073 60.209 61.300 -0.030 0.000 1.179 493 I CB 0.415 38.384 38.000 -0.051 0.000 1.329 493 I HN 0.404 nan 8.210 nan 0.000 0.478 494 L N 2.687 123.905 121.223 -0.009 0.000 2.393 494 L HA 0.826 5.166 4.340 0.000 0.000 0.260 494 L C -1.431 175.440 176.870 0.002 0.000 1.002 494 L CA -0.640 54.200 54.840 0.000 0.000 0.818 494 L CB 3.141 45.202 42.059 0.004 0.000 1.369 494 L HN 0.079 nan 8.230 nan 0.000 0.412 495 D N 1.751 122.155 120.400 0.007 0.000 2.350 495 D HA 0.516 5.156 4.640 0.000 0.000 0.245 495 D C -2.641 173.666 176.300 0.011 0.000 1.036 495 D CA -1.339 52.666 54.000 0.007 0.000 0.848 495 D CB 2.365 43.170 40.800 0.008 0.000 1.307 495 D HN 0.383 nan 8.370 nan 0.000 0.469 496 P HA 0.048 nan 4.420 nan 0.000 0.267 496 P C 0.817 178.127 177.300 0.017 0.000 1.200 496 P CA 0.020 63.130 63.100 0.016 0.000 0.772 496 P CB 0.668 32.379 31.700 0.018 0.000 0.855 497 T N 1.758 116.323 114.554 0.019 0.000 2.746 497 T HA -0.183 4.167 4.350 0.000 0.000 0.267 497 T C 1.648 176.360 174.700 0.021 0.000 1.039 497 T CA 1.124 63.235 62.100 0.019 0.000 1.142 497 T CB -0.368 68.511 68.868 0.018 0.000 0.866 497 T HN 0.485 nan 8.240 nan 0.000 0.444 498 K N 0.647 121.061 120.400 0.023 0.000 2.052 498 K HA -0.196 4.124 4.320 0.000 0.000 0.215 498 K C 2.445 179.064 176.600 0.032 0.000 1.053 498 K CA 2.040 58.344 56.287 0.029 0.000 0.934 498 K CB -0.591 31.927 32.500 0.030 0.000 0.717 498 K HN 0.326 nan 8.250 nan 0.000 0.450 499 V N -0.100 119.828 119.914 0.023 0.000 2.307 499 V HA -0.183 3.937 4.120 0.000 0.000 0.245 499 V C 1.857 177.968 176.094 0.028 0.000 1.045 499 V CA 2.507 64.820 62.300 0.020 0.000 1.024 499 V CB -0.692 31.130 31.823 -0.001 0.000 0.651 499 V HN 0.367 nan 8.190 nan 0.000 0.449 500 T N 0.525 115.094 114.554 0.024 0.000 2.720 500 T HA -0.202 4.148 4.350 0.000 0.000 0.268 500 T C 1.923 176.643 174.700 0.032 0.000 1.037 500 T CA 2.282 64.398 62.100 0.026 0.000 1.144 500 T CB -0.386 68.496 68.868 0.022 0.000 0.864 500 T HN 0.652 nan 8.240 nan 0.000 0.444 501 R N 0.918 121.436 120.500 0.031 0.000 2.075 501 R HA -0.117 4.223 4.340 0.000 0.000 0.230 501 R C 2.628 178.954 176.300 0.043 0.000 1.140 501 R CA 1.993 58.109 56.100 0.027 0.000 0.928 501 R CB -0.598 29.712 30.300 0.018 0.000 0.834 501 R HN 0.243 nan 8.270 nan 0.000 0.429 502 S N 0.880 116.622 115.700 0.071 0.000 2.380 502 S HA -0.308 4.162 4.470 0.000 0.000 0.229 502 S C 2.109 176.842 174.600 0.221 0.000 1.050 502 S CA 1.694 59.991 58.200 0.163 0.000 1.100 502 S CB -0.748 62.565 63.200 0.188 0.000 0.984 502 S HN 0.634 nan 8.310 nan 0.000 0.434 503 A N 1.393 124.295 122.820 0.137 0.000 1.884 503 A HA -0.172 4.148 4.320 0.000 0.000 0.219 503 A C 2.175 179.823 177.584 0.107 0.000 1.197 503 A CA 1.866 53.970 52.037 0.111 0.000 0.637 503 A CB -0.948 18.085 19.000 0.055 0.000 0.827 503 A HN 0.471 nan 8.150 nan 0.000 0.450 504 L N -1.146 120.118 121.223 0.068 0.000 2.005 504 L HA -0.242 4.098 4.340 0.000 0.000 0.207 504 L C 2.875 179.764 176.870 0.031 0.000 1.072 504 L CA 2.131 56.996 54.840 0.042 0.000 0.744 504 L CB -0.560 41.513 42.059 0.023 0.000 0.895 504 L HN 0.538 nan 8.230 nan 0.000 0.433 505 Q N -1.335 118.465 119.800 0.001 0.000 2.084 505 Q HA -0.253 4.087 4.340 0.000 0.000 0.202 505 Q C 1.991 177.934 176.000 -0.096 0.000 0.978 505 Q CA 1.981 57.736 55.803 -0.081 0.000 0.844 505 Q CB -0.149 28.491 28.738 -0.162 0.000 0.898 505 Q HN 0.480 nan 8.270 nan 0.000 0.426 506 Y N -0.331 119.970 120.300 0.000 0.000 2.263 506 Y HA -0.127 4.423 4.550 0.000 0.000 0.292 506 Y C 2.258 178.158 175.900 0.001 0.000 1.130 506 Y CA 1.014 59.114 58.100 -0.001 0.000 1.179 506 Y CB -0.353 38.105 38.460 -0.003 0.000 0.998 506 Y HN 0.131 nan 8.280 nan 0.000 0.532 507 A N -0.264 122.648 122.820 0.154 0.000 1.930 507 A HA -0.089 4.231 4.320 0.000 0.000 0.217 507 A C 2.398 180.017 177.584 0.057 0.000 1.175 507 A CA 1.621 53.712 52.037 0.090 0.000 0.627 507 A CB -1.106 17.932 19.000 0.063 0.000 0.815 507 A HN 0.377 nan 8.150 nan 0.000 0.443 508 A N -0.411 122.430 122.820 0.035 0.000 1.969 508 A HA -0.046 4.274 4.320 0.000 0.000 0.218 508 A C 2.461 180.050 177.584 0.009 0.000 1.169 508 A CA 2.048 54.092 52.037 0.013 0.000 0.635 508 A CB -0.825 18.172 19.000 -0.005 0.000 0.810 508 A HN 0.705 nan 8.150 nan 0.000 0.445 509 S N -0.574 115.129 115.700 0.005 0.000 2.343 509 S HA -0.143 4.328 4.470 0.000 0.000 0.219 509 S C 1.959 176.578 174.600 0.031 0.000 1.033 509 S CA 1.787 59.989 58.200 0.003 0.000 1.014 509 S CB -0.744 62.445 63.200 -0.018 0.000 0.915 509 S HN 0.563 nan 8.310 nan 0.000 0.435 510 V N 1.729 121.678 119.914 0.058 0.000 2.515 510 V HA 0.036 4.156 4.120 0.000 0.000 0.250 510 V C 2.686 178.802 176.094 0.036 0.000 1.058 510 V CA 1.898 64.229 62.300 0.052 0.000 1.064 510 V CB -1.101 30.760 31.823 0.063 0.000 0.675 510 V HN 0.650 nan 8.190 nan 0.000 0.461 511 A N -0.020 122.820 122.820 0.032 0.000 1.873 511 A HA 0.020 4.340 4.320 0.000 0.000 0.215 511 A C 2.375 179.971 177.584 0.019 0.000 1.186 511 A CA 1.706 53.758 52.037 0.024 0.000 0.616 511 A CB -1.389 17.624 19.000 0.022 0.000 0.823 511 A HN 0.603 nan 8.150 nan 0.000 0.442 512 G N -0.209 108.600 108.800 0.016 0.000 2.418 512 G HA2 -0.142 3.818 3.960 0.000 0.000 0.217 512 G HA3 -0.142 3.818 3.960 0.000 0.000 0.217 512 G C 1.393 176.302 174.900 0.015 0.000 1.158 512 G CA 1.161 46.268 45.100 0.012 0.000 0.771 512 G HN 0.316 nan 8.290 nan 0.000 0.545 513 L N 0.340 121.574 121.223 0.018 0.000 2.013 513 L HA -0.035 4.305 4.340 0.000 0.000 0.212 513 L C 3.022 179.904 176.870 0.021 0.000 1.073 513 L CA 1.511 56.363 54.840 0.020 0.000 0.753 513 L CB -0.745 41.329 42.059 0.025 0.000 0.890 513 L HN 0.258 nan 8.230 nan 0.000 0.432 514 M N -1.664 117.950 119.600 0.022 0.000 2.099 514 M HA -0.202 4.279 4.480 0.000 0.000 0.262 514 M C 2.199 178.511 176.300 0.019 0.000 1.067 514 M CA 1.627 56.940 55.300 0.022 0.000 1.124 514 M CB -0.317 32.296 32.600 0.022 0.000 1.353 514 M HN 0.139 nan 8.290 nan 0.000 0.410 515 I N 0.084 120.664 120.570 0.017 0.000 2.657 515 I HA -0.224 3.946 4.170 0.000 0.000 0.261 515 I C 1.664 177.791 176.117 0.017 0.000 1.212 515 I CA 1.288 62.597 61.300 0.015 0.000 1.453 515 I CB -0.429 37.578 38.000 0.013 0.000 1.092 515 I HN 0.403 nan 8.210 nan 0.000 0.452 516 T N -4.058 110.507 114.554 0.018 0.000 3.176 516 T HA 0.173 4.523 4.350 0.000 0.000 0.263 516 T C 0.563 175.278 174.700 0.024 0.000 1.021 516 T CA -0.296 61.816 62.100 0.020 0.000 0.905 516 T CB -0.299 68.579 68.868 0.017 0.000 1.057 516 T HN -0.063 nan 8.240 nan 0.000 0.558 517 T N 2.622 117.191 114.554 0.025 0.000 2.771 517 T HA 0.306 4.656 4.350 0.000 0.000 0.291 517 T C 0.575 175.296 174.700 0.035 0.000 0.954 517 T CA -0.480 61.636 62.100 0.027 0.000 1.045 517 T CB 1.438 70.321 68.868 0.024 0.000 0.917 517 T HN 0.109 nan 8.240 nan 0.000 0.484 518 E N 0.629 120.857 120.200 0.047 0.000 2.490 518 E HA 0.176 4.526 4.350 0.000 0.000 0.209 518 E C 0.193 176.845 176.600 0.086 0.000 0.971 518 E CA 0.095 56.545 56.400 0.082 0.000 0.988 518 E CB 0.751 30.515 29.700 0.107 0.000 1.029 518 E HN 0.543 nan 8.360 nan 0.000 0.496 519 C N 0.353 119.656 119.300 0.005 0.000 3.086 519 C HA 0.696 5.156 4.460 0.000 0.000 0.311 519 C C -1.455 173.476 174.990 -0.099 0.000 1.260 519 C CA -0.546 58.388 59.018 -0.139 0.000 1.426 519 C CB 0.852 28.496 27.740 -0.160 0.000 1.826 519 C HN 0.143 nan 8.230 nan 0.000 0.474 520 M N 4.731 124.255 119.600 -0.127 0.000 2.224 520 M HA 0.448 4.928 4.480 0.000 0.000 0.281 520 M C -1.280 175.074 176.300 0.090 0.000 1.025 520 M CA -0.380 54.952 55.300 0.053 0.000 0.954 520 M CB 1.977 34.715 32.600 0.230 0.000 1.639 520 M HN 0.389 nan 8.290 nan 0.000 0.461 521 V N 1.815 121.728 119.914 -0.001 0.000 2.459 521 V HA 0.814 4.934 4.120 0.000 0.000 0.295 521 V C -0.135 175.876 176.094 -0.138 0.000 1.029 521 V CA -0.321 61.949 62.300 -0.049 0.000 0.874 521 V CB 1.908 33.700 31.823 -0.052 0.000 0.985 521 V HN 0.922 nan 8.190 nan 0.000 0.438 522 T N 2.197 116.619 114.554 -0.219 0.000 2.792 522 T HA 0.311 4.661 4.350 0.000 0.000 0.303 522 T C -1.364 173.210 174.700 -0.210 0.000 1.310 522 T CA -0.654 61.267 62.100 -0.298 0.000 1.007 522 T CB 1.919 70.418 68.868 -0.614 0.000 1.335 522 T HN 0.668 nan 8.240 nan 0.000 0.504 523 D N 1.623 121.918 120.400 -0.174 0.000 2.357 523 D HA 0.237 4.878 4.640 0.000 0.000 0.242 523 D C 0.243 176.482 176.300 -0.102 0.000 1.153 523 D CA -0.116 53.819 54.000 -0.109 0.000 0.918 523 D CB 0.757 41.508 40.800 -0.080 0.000 1.181 523 D HN 0.412 nan 8.370 nan 0.000 0.435 524 L N 2.588 123.780 121.223 -0.052 0.000 2.453 524 L HA 0.094 4.434 4.340 0.000 0.000 0.272 524 L C -1.296 175.558 176.870 -0.025 0.000 1.182 524 L CA -1.347 53.478 54.840 -0.024 0.000 0.858 524 L CB 0.096 42.152 42.059 -0.006 0.000 1.120 524 L HN 0.249 nan 8.230 nan 0.000 0.474 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.006 0.000 0.800 525 P CB 0.000 31.709 31.700 0.016 0.000 0.726