REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1pcq_1_M 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 0.000 177.577 177.584 -0.011 0.000 1.274 2 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 3 A N 2.979 125.795 122.820 -0.007 0.000 2.546 3 A HA 0.497 4.818 4.320 0.001 0.000 0.243 3 A C 0.416 177.993 177.584 -0.011 0.000 1.063 3 A CA 0.434 52.469 52.037 -0.004 0.000 0.757 3 A CB -0.057 18.944 19.000 0.001 0.000 0.991 3 A HN 0.636 nan 8.150 nan 0.000 0.503 4 K N 1.695 122.089 120.400 -0.009 0.000 2.185 4 K HA 0.439 4.759 4.320 0.001 0.000 0.240 4 K C -0.998 175.600 176.600 -0.003 0.000 0.983 4 K CA -0.756 55.518 56.287 -0.021 0.000 0.873 4 K CB 1.249 33.733 32.500 -0.027 0.000 1.118 4 K HN 0.718 nan 8.250 nan 0.000 0.441 5 D N 0.749 121.145 120.400 -0.006 0.000 2.192 5 D HA 0.365 5.006 4.640 0.001 0.000 0.246 5 D C -1.339 175.026 176.300 0.108 0.000 1.042 5 D CA -0.658 53.381 54.000 0.065 0.000 0.847 5 D CB 1.396 42.260 40.800 0.106 0.000 1.186 5 D HN 0.074 nan 8.370 nan 0.000 0.461 6 V N 4.021 123.975 119.914 0.067 0.000 2.483 6 V HA 0.420 4.541 4.120 0.001 0.000 0.297 6 V C -0.018 175.926 176.094 -0.250 0.000 1.027 6 V CA -0.805 61.437 62.300 -0.098 0.000 0.855 6 V CB 1.805 33.509 31.823 -0.198 0.000 0.995 6 V HN 0.421 nan 8.190 nan 0.000 0.424 7 K N 3.347 123.547 120.400 -0.333 0.000 2.318 7 K HA 0.767 5.088 4.320 0.001 0.000 0.249 7 K C -1.641 174.646 176.600 -0.523 0.000 0.942 7 K CA -0.458 55.566 56.287 -0.438 0.000 0.808 7 K CB 2.021 34.143 32.500 -0.631 0.000 1.189 7 K HN 0.504 nan 8.250 nan 0.000 0.428 8 F N 1.017 120.929 119.950 -0.064 0.000 2.532 8 F HA 0.392 4.919 4.527 0.001 0.000 0.321 8 F C 1.160 176.934 175.800 -0.044 0.000 1.089 8 F CA 0.134 58.114 58.000 -0.033 0.000 0.926 8 F CB 2.071 41.059 39.000 -0.018 0.000 1.168 8 F HN 0.833 nan 8.300 nan 0.000 0.459 9 G N 2.771 111.688 108.800 0.195 0.000 2.634 9 G HA2 -0.495 3.466 3.960 0.001 0.000 0.318 9 G HA3 -0.495 3.466 3.960 0.001 0.000 0.318 9 G C 1.039 175.965 174.900 0.043 0.000 1.207 9 G CA 1.192 46.354 45.100 0.103 0.000 0.987 9 G HN 0.703 nan 8.290 nan 0.000 0.547 10 N N 0.983 119.701 118.700 0.029 0.000 2.013 10 N HA -0.072 4.669 4.740 0.001 0.000 0.195 10 N C 1.898 177.393 175.510 -0.025 0.000 1.051 10 N CA 2.261 55.313 53.050 0.003 0.000 0.851 10 N CB -0.374 38.114 38.487 0.001 0.000 1.044 10 N HN 0.557 nan 8.380 nan 0.000 0.422 11 D N 0.154 120.531 120.400 -0.038 0.000 2.157 11 D HA -0.233 4.408 4.640 0.001 0.000 0.191 11 D C 1.758 177.964 176.300 -0.158 0.000 1.004 11 D CA 1.631 55.572 54.000 -0.099 0.000 0.854 11 D CB -0.829 39.901 40.800 -0.118 0.000 0.936 11 D HN 0.439 nan 8.370 nan 0.000 0.446 12 A N 0.484 123.217 122.820 -0.145 0.000 1.940 12 A HA -0.210 4.111 4.320 0.001 0.000 0.219 12 A C 2.215 179.748 177.584 -0.085 0.000 1.176 12 A CA 1.607 53.544 52.037 -0.167 0.000 0.631 12 A CB -0.358 18.589 19.000 -0.088 0.000 0.814 12 A HN 0.147 nan 8.150 nan 0.000 0.446 13 R N -1.255 119.218 120.500 -0.045 0.000 2.066 13 R HA 0.039 4.380 4.340 0.001 0.000 0.224 13 R C 2.078 178.366 176.300 -0.020 0.000 1.122 13 R CA 1.039 57.129 56.100 -0.015 0.000 0.974 13 R CB -0.551 29.749 30.300 -0.001 0.000 0.871 13 R HN 0.322 nan 8.270 nan 0.000 0.435 14 V N 2.028 121.923 119.914 -0.031 0.000 2.317 14 V HA -0.336 3.785 4.120 0.001 0.000 0.251 14 V C 2.178 178.254 176.094 -0.030 0.000 1.065 14 V CA 1.764 64.047 62.300 -0.029 0.000 1.049 14 V CB -0.383 31.419 31.823 -0.036 0.000 0.651 14 V HN 0.221 nan 8.190 nan 0.000 0.450 15 K N -0.787 119.579 120.400 -0.058 0.000 1.985 15 K HA -0.101 4.219 4.320 0.001 0.000 0.210 15 K C 2.089 178.699 176.600 0.017 0.000 1.047 15 K CA 1.674 57.940 56.287 -0.034 0.000 0.932 15 K CB -0.765 31.675 32.500 -0.100 0.000 0.716 15 K HN 0.388 nan 8.250 nan 0.000 0.439 16 M N 0.275 119.887 119.600 0.020 0.000 2.144 16 M HA -0.213 4.268 4.480 0.001 0.000 0.260 16 M C 1.975 178.292 176.300 0.027 0.000 1.067 16 M CA 1.199 56.523 55.300 0.040 0.000 1.095 16 M CB -0.163 32.460 32.600 0.037 0.000 1.365 16 M HN 0.084 nan 8.290 nan 0.000 0.406 17 L N 0.368 121.600 121.223 0.015 0.000 2.005 17 L HA -0.184 4.157 4.340 0.001 0.000 0.207 17 L C 2.299 179.177 176.870 0.013 0.000 1.072 17 L CA 1.898 56.745 54.840 0.012 0.000 0.744 17 L CB -0.691 41.372 42.059 0.006 0.000 0.895 17 L HN 0.181 nan 8.230 nan 0.000 0.433 18 R N -0.252 120.255 120.500 0.012 0.000 2.091 18 R HA -0.139 4.202 4.340 0.001 0.000 0.238 18 R C 2.167 178.478 176.300 0.018 0.000 1.136 18 R CA 1.247 57.355 56.100 0.013 0.000 0.959 18 R CB -1.189 29.118 30.300 0.012 0.000 0.856 18 R HN 0.620 nan 8.270 nan 0.000 0.437 19 G N 0.927 109.743 108.800 0.026 0.000 2.511 19 G HA2 -0.291 3.670 3.960 0.001 0.000 0.216 19 G HA3 -0.291 3.670 3.960 0.001 0.000 0.216 19 G C 1.437 176.349 174.900 0.020 0.000 1.218 19 G CA 0.907 46.025 45.100 0.029 0.000 0.788 19 G HN 0.264 nan 8.290 nan 0.000 0.560 20 V N 1.264 121.190 119.914 0.020 0.000 2.255 20 V HA -0.279 3.842 4.120 0.001 0.000 0.247 20 V C 2.359 178.460 176.094 0.012 0.000 1.051 20 V CA 2.980 65.290 62.300 0.015 0.000 1.018 20 V CB -0.926 30.907 31.823 0.017 0.000 0.641 20 V HN 0.564 nan 8.190 nan 0.000 0.445 21 N N -0.692 118.015 118.700 0.011 0.000 2.096 21 N HA -0.221 4.519 4.740 0.001 0.000 0.195 21 N C 1.739 177.254 175.510 0.007 0.000 1.017 21 N CA 1.819 54.874 53.050 0.009 0.000 0.870 21 N CB -0.254 38.238 38.487 0.008 0.000 1.024 21 N HN 0.468 nan 8.380 nan 0.000 0.434 22 V N 1.585 121.504 119.914 0.008 0.000 2.261 22 V HA -0.214 3.906 4.120 0.001 0.000 0.246 22 V C 2.223 178.320 176.094 0.005 0.000 1.047 22 V CA 1.351 63.655 62.300 0.007 0.000 1.015 22 V CB -0.587 31.241 31.823 0.008 0.000 0.642 22 V HN 0.407 nan 8.190 nan 0.000 0.446 23 L N -0.008 121.218 121.223 0.006 0.000 1.989 23 L HA -0.227 4.113 4.340 0.001 0.000 0.211 23 L C 2.574 179.445 176.870 0.002 0.000 1.071 23 L CA 2.439 57.280 54.840 0.003 0.000 0.749 23 L CB -0.727 41.334 42.059 0.003 0.000 0.890 23 L HN 0.394 nan 8.230 nan 0.000 0.431 24 A N -0.340 122.483 122.820 0.004 0.000 1.877 24 A HA -0.258 4.063 4.320 0.001 0.000 0.216 24 A C 1.809 179.395 177.584 0.003 0.000 1.186 24 A CA 1.932 53.972 52.037 0.004 0.000 0.620 24 A CB -0.745 18.258 19.000 0.006 0.000 0.822 24 A HN 0.506 nan 8.150 nan 0.000 0.443 25 D N -0.038 120.364 120.400 0.003 0.000 2.221 25 D HA -0.055 4.586 4.640 0.001 0.000 0.204 25 D C 2.037 178.338 176.300 0.001 0.000 0.982 25 D CA 1.387 55.388 54.000 0.002 0.000 0.857 25 D CB -0.253 40.549 40.800 0.003 0.000 0.934 25 D HN 0.461 nan 8.370 nan 0.000 0.475 26 A N -0.032 122.788 122.820 0.001 0.000 1.970 26 A HA -0.009 4.312 4.320 0.001 0.000 0.216 26 A C 2.251 179.834 177.584 -0.001 0.000 1.170 26 A CA 0.648 52.684 52.037 -0.001 0.000 0.645 26 A CB -0.167 18.833 19.000 -0.001 0.000 0.816 26 A HN 0.188 nan 8.150 nan 0.000 0.447 27 V N 0.646 120.559 119.914 -0.001 0.000 3.125 27 V HA -0.054 4.067 4.120 0.001 0.000 0.249 27 V C 2.290 178.382 176.094 -0.002 0.000 1.113 27 V CA 1.612 63.911 62.300 -0.003 0.000 1.106 27 V CB -0.258 31.562 31.823 -0.004 0.000 0.768 27 V HN 0.767 nan 8.190 nan 0.000 0.468 28 K N 0.814 121.214 120.400 -0.000 0.000 2.283 28 K HA -0.062 4.258 4.320 0.001 0.000 0.202 28 K C 1.560 178.160 176.600 0.001 0.000 1.048 28 K CA 1.811 58.099 56.287 0.001 0.000 0.948 28 K CB -0.549 31.953 32.500 0.003 0.000 0.742 28 K HN 0.498 nan 8.250 nan 0.000 0.458 29 V N -0.118 119.797 119.914 0.000 0.000 3.380 29 V HA -0.043 4.077 4.120 0.001 0.000 0.268 29 V C 1.702 177.796 176.094 -0.000 0.000 1.168 29 V CA 1.316 63.616 62.300 0.000 0.000 1.156 29 V CB -0.919 30.904 31.823 0.000 0.000 0.785 29 V HN 0.497 nan 8.190 nan 0.000 0.487 30 T N -3.364 111.190 114.554 -0.001 0.000 3.105 30 T HA 0.247 4.597 4.350 0.001 0.000 0.253 30 T C 1.338 176.037 174.700 -0.002 0.000 1.047 30 T CA 0.362 62.460 62.100 -0.002 0.000 0.944 30 T CB 0.539 69.404 68.868 -0.004 0.000 1.016 30 T HN 0.313 nan 8.240 nan 0.000 0.544 31 L N 2.645 123.868 121.223 0.000 0.000 2.023 31 L HA 0.387 4.728 4.340 0.001 0.000 0.205 31 L C 1.726 178.597 176.870 0.001 0.000 1.073 31 L CA 1.373 56.214 54.840 0.001 0.000 0.745 31 L CB -1.384 40.678 42.059 0.003 0.000 0.900 31 L HN 0.407 nan 8.230 nan 0.000 0.435 32 G N -0.287 108.515 108.800 0.004 0.000 2.492 32 G HA2 -0.081 3.879 3.960 0.001 0.000 0.353 32 G HA3 -0.081 3.879 3.960 0.001 0.000 0.353 32 G C -1.544 173.353 174.900 -0.005 0.000 1.297 32 G CA 0.357 45.459 45.100 0.003 0.000 1.192 32 G HN 0.427 nan 8.290 nan 0.000 0.677 33 P HA 0.144 nan 4.420 nan 0.000 0.251 33 P C 0.275 177.566 177.300 -0.015 0.000 1.223 33 P CA 0.791 63.881 63.100 -0.018 0.000 0.796 33 P CB 0.511 32.193 31.700 -0.031 0.000 1.068 34 K N 0.850 121.245 120.400 -0.009 0.000 3.122 34 K HA 0.345 4.666 4.320 0.001 0.000 0.193 34 K C 0.666 177.266 176.600 -0.001 0.000 1.141 34 K CA -0.382 55.901 56.287 -0.006 0.000 0.975 34 K CB 1.092 33.590 32.500 -0.004 0.000 1.173 34 K HN -0.018 nan 8.250 nan 0.000 0.546 35 G N 1.232 110.031 108.800 -0.002 0.000 2.554 35 G HA2 0.055 4.016 3.960 0.001 0.000 0.238 35 G HA3 0.055 4.016 3.960 0.001 0.000 0.238 35 G C 0.240 175.139 174.900 -0.001 0.000 1.259 35 G CA -0.451 44.648 45.100 -0.001 0.000 0.843 35 G HN 0.221 nan 8.290 nan 0.000 0.582 36 R N 0.202 120.702 120.500 -0.000 0.000 2.583 36 R HA 0.196 4.537 4.340 0.001 0.000 0.268 36 R C 0.523 176.822 176.300 -0.002 0.000 1.101 36 R CA -0.433 55.666 56.100 -0.001 0.000 1.180 36 R CB 0.300 30.600 30.300 0.000 0.000 1.128 36 R HN 0.740 nan 8.270 nan 0.000 0.568 37 N N -0.232 118.467 118.700 -0.002 0.000 2.489 37 N HA 0.376 5.117 4.740 0.001 0.000 0.284 37 N C -0.754 174.754 175.510 -0.002 0.000 1.158 37 N CA -0.694 52.355 53.050 -0.002 0.000 0.965 37 N CB 1.680 40.166 38.487 -0.002 0.000 1.195 37 N HN 0.049 nan 8.380 nan 0.000 0.506 38 V N 1.316 121.228 119.914 -0.003 0.000 2.540 38 V HA 0.265 4.386 4.120 0.001 0.000 0.302 38 V C -0.079 176.013 176.094 -0.002 0.000 1.035 38 V CA -0.828 61.471 62.300 -0.003 0.000 0.873 38 V CB 1.990 33.811 31.823 -0.003 0.000 0.992 38 V HN 0.399 nan 8.190 nan 0.000 0.428 39 V N 5.974 125.887 119.914 -0.002 0.000 2.394 39 V HA 0.438 4.559 4.120 0.001 0.000 0.282 39 V C -0.533 175.559 176.094 -0.002 0.000 1.031 39 V CA -0.548 61.751 62.300 -0.002 0.000 0.881 39 V CB 1.424 33.246 31.823 -0.002 0.000 0.982 39 V HN 0.491 nan 8.190 nan 0.000 0.451 40 L N 4.272 125.495 121.223 -0.001 0.000 2.318 40 L HA 0.501 4.841 4.340 0.001 0.000 0.277 40 L C 0.072 176.943 176.870 0.001 0.000 1.008 40 L CA -0.296 54.544 54.840 -0.001 0.000 0.846 40 L CB 0.961 43.020 42.059 -0.001 0.000 1.220 40 L HN 0.617 nan 8.230 nan 0.000 0.423 41 D N 3.327 123.727 120.400 -0.001 0.000 2.364 41 D HA 0.198 4.839 4.640 0.001 0.000 0.236 41 D C -0.110 176.193 176.300 0.006 0.000 1.221 41 D CA 0.489 54.489 54.000 -0.000 0.000 0.891 41 D CB 0.823 41.619 40.800 -0.007 0.000 1.190 41 D HN 0.422 nan 8.370 nan 0.000 0.449 42 K N 0.192 120.599 120.400 0.011 0.000 2.546 42 K HA 0.243 4.563 4.320 0.001 0.000 0.264 42 K C 0.455 177.077 176.600 0.036 0.000 0.937 42 K CA -0.542 55.764 56.287 0.032 0.000 0.833 42 K CB 1.238 33.762 32.500 0.041 0.000 1.378 42 K HN 0.372 nan 8.250 nan 0.000 0.432 43 S N 1.797 117.542 115.700 0.074 0.000 2.436 43 S HA -0.011 4.459 4.470 0.001 0.000 0.208 43 S C 0.591 175.175 174.600 -0.027 0.000 1.063 43 S CA 0.857 59.064 58.200 0.012 0.000 1.120 43 S CB -0.519 62.744 63.200 0.105 0.000 1.053 43 S HN 0.448 nan 8.310 nan 0.000 0.407 44 F N 2.411 122.355 119.950 -0.010 0.000 2.429 44 F HA 0.538 5.066 4.527 0.001 0.000 0.348 44 F C 1.458 177.252 175.800 -0.008 0.000 1.109 44 F CA 0.183 58.178 58.000 -0.009 0.000 1.232 44 F CB -0.562 38.433 39.000 -0.009 0.000 1.157 44 F HN 0.670 nan 8.300 nan 0.000 0.564 45 G N 0.725 109.611 108.800 0.143 0.000 2.750 45 G HA2 0.177 4.138 3.960 0.001 0.000 0.228 45 G HA3 0.177 4.138 3.960 0.001 0.000 0.228 45 G C -0.564 174.362 174.900 0.044 0.000 1.367 45 G CA -0.741 44.408 45.100 0.082 0.000 0.871 45 G HN 1.152 nan 8.290 nan 0.000 0.560 46 A N 1.111 123.950 122.820 0.032 0.000 2.351 46 A HA 0.783 5.104 4.320 0.001 0.000 0.257 46 A C -0.634 176.960 177.584 0.017 0.000 1.087 46 A CA 0.026 52.073 52.037 0.018 0.000 0.798 46 A CB -0.055 18.954 19.000 0.014 0.000 1.033 46 A HN 0.924 nan 8.150 nan 0.000 0.488 47 P HA 0.258 nan 4.420 nan 0.000 0.282 47 P C -0.351 176.954 177.300 0.008 0.000 1.286 47 P CA -0.033 63.072 63.100 0.008 0.000 0.777 47 P CB 0.317 32.018 31.700 0.002 0.000 1.184 48 T N 0.449 115.007 114.554 0.006 0.000 2.792 48 T HA 0.533 4.884 4.350 0.001 0.000 0.280 48 T C 0.029 174.730 174.700 0.001 0.000 0.990 48 T CA -0.363 61.739 62.100 0.004 0.000 0.960 48 T CB 0.143 69.013 68.868 0.004 0.000 0.939 48 T HN 0.156 nan 8.240 nan 0.000 0.439 49 I N 2.727 123.297 120.570 0.000 0.000 2.336 49 I HA 0.538 4.709 4.170 0.001 0.000 0.292 49 I C 0.405 176.520 176.117 -0.002 0.000 0.991 49 I CA -0.543 60.756 61.300 -0.001 0.000 1.227 49 I CB 1.713 39.712 38.000 -0.001 0.000 1.366 49 I HN 0.442 nan 8.210 nan 0.000 0.466 50 T N 4.338 118.890 114.554 -0.003 0.000 2.923 50 T HA 0.316 4.667 4.350 0.001 0.000 0.311 50 T C -0.035 174.662 174.700 -0.004 0.000 1.183 50 T CA -0.541 61.556 62.100 -0.004 0.000 1.020 50 T CB 1.755 70.621 68.868 -0.004 0.000 1.165 50 T HN 0.655 nan 8.240 nan 0.000 0.482 51 K N 1.646 122.043 120.400 -0.005 0.000 2.399 51 K HA 0.231 4.552 4.320 0.001 0.000 0.204 51 K C -0.508 176.088 176.600 -0.006 0.000 1.023 51 K CA -0.140 56.144 56.287 -0.005 0.000 1.127 51 K CB 0.436 32.933 32.500 -0.005 0.000 0.856 51 K HN 0.414 nan 8.250 nan 0.000 0.514 52 D N -0.566 119.830 120.400 -0.007 0.000 2.454 52 D HA 0.152 4.792 4.640 0.001 0.000 0.225 52 D C 1.154 177.448 176.300 -0.010 0.000 1.081 52 D CA -0.430 53.564 54.000 -0.009 0.000 0.864 52 D CB 1.193 41.987 40.800 -0.010 0.000 1.040 52 D HN 0.142 nan 8.370 nan 0.000 0.517 53 G N 2.410 111.204 108.800 -0.010 0.000 2.556 53 G HA2 -0.298 3.662 3.960 0.001 0.000 0.220 53 G HA3 -0.298 3.662 3.960 0.001 0.000 0.220 53 G C 1.528 176.420 174.900 -0.014 0.000 1.156 53 G CA 1.153 46.246 45.100 -0.011 0.000 0.766 53 G HN 0.477 nan 8.290 nan 0.000 0.583 54 V N 0.567 120.471 119.914 -0.017 0.000 2.332 54 V HA -0.208 3.912 4.120 0.001 0.000 0.248 54 V C 3.073 179.156 176.094 -0.018 0.000 1.055 54 V CA 2.314 64.601 62.300 -0.021 0.000 1.038 54 V CB -0.657 31.151 31.823 -0.025 0.000 0.651 54 V HN 0.402 nan 8.190 nan 0.000 0.450 55 S N -0.555 115.136 115.700 -0.015 0.000 2.368 55 S HA -0.156 4.314 4.470 0.001 0.000 0.225 55 S C 1.971 176.564 174.600 -0.011 0.000 1.030 55 S CA 1.519 59.711 58.200 -0.013 0.000 0.999 55 S CB -0.136 63.057 63.200 -0.011 0.000 0.844 55 S HN 0.379 nan 8.310 nan 0.000 0.459 56 V N 1.830 121.738 119.914 -0.010 0.000 2.261 56 V HA -0.193 3.927 4.120 0.001 0.000 0.246 56 V C 2.638 178.727 176.094 -0.009 0.000 1.047 56 V CA 1.769 64.064 62.300 -0.008 0.000 1.015 56 V CB -1.252 30.567 31.823 -0.007 0.000 0.642 56 V HN 0.536 nan 8.190 nan 0.000 0.446 57 A N 0.358 123.172 122.820 -0.011 0.000 1.892 57 A HA -0.326 3.994 4.320 0.001 0.000 0.218 57 A C 2.373 179.949 177.584 -0.013 0.000 1.188 57 A CA 2.427 54.457 52.037 -0.012 0.000 0.631 57 A CB -0.724 18.266 19.000 -0.016 0.000 0.822 57 A HN 0.530 nan 8.150 nan 0.000 0.447 58 R N -0.628 119.863 120.500 -0.015 0.000 2.154 58 R HA -0.237 4.104 4.340 0.001 0.000 0.248 58 R C 1.748 178.040 176.300 -0.013 0.000 1.155 58 R CA 2.053 58.144 56.100 -0.016 0.000 0.979 58 R CB -0.200 30.090 30.300 -0.017 0.000 0.869 58 R HN 0.486 nan 8.270 nan 0.000 0.452 59 E N -0.118 120.076 120.200 -0.011 0.000 2.250 59 E HA 0.086 4.437 4.350 0.001 0.000 0.192 59 E C -0.038 176.558 176.600 -0.008 0.000 0.986 59 E CA 0.168 56.563 56.400 -0.009 0.000 0.849 59 E CB 0.224 29.921 29.700 -0.007 0.000 0.797 59 E HN 0.207 nan 8.360 nan 0.000 0.482 60 I N 1.982 122.548 120.570 -0.007 0.000 2.598 60 I HA 0.113 4.283 4.170 0.001 0.000 0.284 60 I C 0.178 176.291 176.117 -0.006 0.000 1.140 60 I CA 0.567 61.864 61.300 -0.006 0.000 1.420 60 I CB 0.292 38.289 38.000 -0.004 0.000 1.387 60 I HN 0.088 nan 8.210 nan 0.000 0.553 61 E N 6.820 127.017 120.200 -0.005 0.000 2.343 61 E HA 0.449 4.799 4.350 0.001 0.000 0.286 61 E C -1.751 174.847 176.600 -0.004 0.000 0.915 61 E CA -0.556 55.840 56.400 -0.006 0.000 0.784 61 E CB 1.720 31.414 29.700 -0.009 0.000 1.251 61 E HN 0.450 nan 8.360 nan 0.000 0.407 62 L N 3.179 124.401 121.223 -0.002 0.000 2.358 62 L HA 0.419 4.759 4.340 0.001 0.000 0.268 62 L C 1.497 178.368 176.870 0.001 0.000 1.032 62 L CA -0.474 54.368 54.840 0.003 0.000 0.805 62 L CB 1.374 43.440 42.059 0.012 0.000 1.253 62 L HN 0.740 nan 8.230 nan 0.000 0.452 63 E N 0.355 120.558 120.200 0.005 0.000 2.033 63 E HA -0.150 4.201 4.350 0.001 0.000 0.189 63 E C 0.464 177.068 176.600 0.006 0.000 0.979 63 E CA 0.288 56.690 56.400 0.002 0.000 0.802 63 E CB 0.256 29.959 29.700 0.005 0.000 0.763 63 E HN 0.640 nan 8.360 nan 0.000 0.449 64 D N 2.111 122.526 120.400 0.026 0.000 2.359 64 D HA -0.040 4.601 4.640 0.001 0.000 0.273 64 D C -0.686 175.643 176.300 0.049 0.000 1.362 64 D CA 0.177 54.211 54.000 0.056 0.000 1.010 64 D CB 0.165 41.013 40.800 0.081 0.000 1.090 64 D HN 0.114 nan 8.370 nan 0.000 0.521 65 K N 2.654 123.040 120.400 -0.023 0.000 2.455 65 K HA 0.050 4.371 4.320 0.001 0.000 0.269 65 K C 0.597 177.152 176.600 -0.075 0.000 0.972 65 K CA -0.302 55.905 56.287 -0.133 0.000 0.938 65 K CB 0.638 32.966 32.500 -0.286 0.000 0.931 65 K HN 0.335 nan 8.250 nan 0.000 0.507 66 F N -1.513 118.424 119.950 -0.021 0.000 2.516 66 F HA -0.347 4.181 4.527 0.001 0.000 0.759 66 F C 1.970 177.760 175.800 -0.016 0.000 0.485 66 F CA 1.595 59.581 58.000 -0.024 0.000 0.787 66 F CB -1.478 37.506 39.000 -0.027 0.000 1.625 66 F HN 0.752 nan 8.300 nan 0.000 0.280 67 E N 0.318 120.650 120.200 0.220 0.000 2.086 67 E HA -0.334 4.017 4.350 0.001 0.000 0.205 67 E C 1.594 178.235 176.600 0.067 0.000 1.027 67 E CA 2.082 58.546 56.400 0.105 0.000 0.830 67 E CB -0.384 29.364 29.700 0.080 0.000 0.751 67 E HN 0.458 nan 8.360 nan 0.000 0.456 68 N N -0.177 118.551 118.700 0.047 0.000 2.061 68 N HA -0.192 4.549 4.740 0.001 0.000 0.193 68 N C 1.728 177.245 175.510 0.012 0.000 1.030 68 N CA 1.660 54.719 53.050 0.014 0.000 0.856 68 N CB -0.037 38.443 38.487 -0.013 0.000 1.023 68 N HN 0.143 nan 8.380 nan 0.000 0.424 69 M N -0.677 118.933 119.600 0.017 0.000 2.086 69 M HA -0.069 4.412 4.480 0.001 0.000 0.261 69 M C 2.263 178.582 176.300 0.030 0.000 1.067 69 M CA 1.652 56.962 55.300 0.015 0.000 1.116 69 M CB -0.955 31.659 32.600 0.024 0.000 1.348 69 M HN 0.313 nan 8.290 nan 0.000 0.407 70 G N 0.461 109.291 108.800 0.050 0.000 2.631 70 G HA2 -0.300 3.661 3.960 0.001 0.000 0.219 70 G HA3 -0.300 3.661 3.960 0.001 0.000 0.219 70 G C 1.590 176.506 174.900 0.026 0.000 1.214 70 G CA 1.667 46.792 45.100 0.042 0.000 0.785 70 G HN 0.566 nan 8.290 nan 0.000 0.596 71 A N -0.670 122.163 122.820 0.022 0.000 1.898 71 A HA -0.020 4.301 4.320 0.001 0.000 0.216 71 A C 2.362 179.949 177.584 0.006 0.000 1.181 71 A CA 1.958 54.002 52.037 0.013 0.000 0.620 71 A CB -0.393 18.613 19.000 0.010 0.000 0.819 71 A HN 0.334 nan 8.150 nan 0.000 0.442 72 Q N -0.915 118.887 119.800 0.004 0.000 2.368 72 Q HA -0.115 4.226 4.340 0.001 0.000 0.210 72 Q C 1.885 177.884 176.000 -0.002 0.000 0.982 72 Q CA 1.251 57.052 55.803 -0.003 0.000 0.884 72 Q CB -0.428 28.306 28.738 -0.006 0.000 0.933 72 Q HN 0.782 nan 8.270 nan 0.000 0.460 73 M N -1.008 118.596 119.600 0.006 0.000 2.171 73 M HA -0.117 4.364 4.480 0.001 0.000 0.260 73 M C 2.168 178.471 176.300 0.006 0.000 1.087 73 M CA 0.825 56.130 55.300 0.009 0.000 1.154 73 M CB -0.091 32.520 32.600 0.020 0.000 1.331 73 M HN -0.073 nan 8.290 nan 0.000 0.431 74 V N 0.881 120.800 119.914 0.009 0.000 2.278 74 V HA -0.368 3.753 4.120 0.001 0.000 0.251 74 V C 2.140 178.226 176.094 -0.012 0.000 1.062 74 V CA 1.956 64.259 62.300 0.005 0.000 1.038 74 V CB -0.912 30.916 31.823 0.009 0.000 0.646 74 V HN 0.450 nan 8.190 nan 0.000 0.447 75 K N -0.512 119.879 120.400 -0.014 0.000 2.113 75 K HA -0.263 4.057 4.320 0.001 0.000 0.208 75 K C 2.290 178.865 176.600 -0.042 0.000 1.047 75 K CA 1.888 58.159 56.287 -0.025 0.000 0.928 75 K CB -0.195 32.294 32.500 -0.019 0.000 0.716 75 K HN 0.569 nan 8.250 nan 0.000 0.446 76 E N 0.434 120.612 120.200 -0.037 0.000 2.072 76 E HA -0.127 4.223 4.350 0.001 0.000 0.190 76 E C 2.011 178.551 176.600 -0.100 0.000 0.982 76 E CA 0.628 56.997 56.400 -0.053 0.000 0.803 76 E CB 0.252 29.934 29.700 -0.030 0.000 0.755 76 E HN 0.033 nan 8.360 nan 0.000 0.453 77 V N 1.095 120.957 119.914 -0.086 0.000 2.261 77 V HA -0.263 3.857 4.120 0.001 0.000 0.246 77 V C 2.396 178.333 176.094 -0.261 0.000 1.047 77 V CA 1.982 64.199 62.300 -0.139 0.000 1.015 77 V CB -0.554 31.269 31.823 -0.001 0.000 0.642 77 V HN 0.394 nan 8.190 nan 0.000 0.446 78 A N -0.990 121.749 122.820 -0.135 0.000 1.933 78 A HA -0.224 4.096 4.320 0.001 0.000 0.218 78 A C 2.550 180.043 177.584 -0.152 0.000 1.175 78 A CA 2.140 54.108 52.037 -0.117 0.000 0.628 78 A CB -0.814 18.157 19.000 -0.048 0.000 0.814 78 A HN 0.536 nan 8.150 nan 0.000 0.444 79 S N -0.384 115.232 115.700 -0.139 0.000 2.365 79 S HA -0.257 4.213 4.470 0.001 0.000 0.225 79 S C 2.073 176.560 174.600 -0.189 0.000 1.039 79 S CA 2.071 60.194 58.200 -0.129 0.000 1.033 79 S CB -0.343 62.803 63.200 -0.090 0.000 0.887 79 S HN 0.585 nan 8.310 nan 0.000 0.447 80 K N 0.639 120.853 120.400 -0.309 0.000 2.063 80 K HA -0.081 4.239 4.320 0.001 0.000 0.208 80 K C 2.363 178.678 176.600 -0.475 0.000 1.048 80 K CA 1.100 57.125 56.287 -0.437 0.000 0.928 80 K CB -0.600 31.508 32.500 -0.653 0.000 0.713 80 K HN 0.464 nan 8.250 nan 0.000 0.442 81 A N 2.152 124.610 122.820 -0.604 0.000 1.873 81 A HA -0.357 3.964 4.320 0.001 0.000 0.219 81 A C 1.953 179.503 177.584 -0.056 0.000 1.269 81 A CA 2.316 54.271 52.037 -0.136 0.000 0.671 81 A CB -1.300 17.675 19.000 -0.041 0.000 0.842 81 A HN 0.447 nan 8.150 nan 0.000 0.460 82 N N 0.023 118.668 118.700 -0.091 0.000 2.133 82 N HA -0.217 4.524 4.740 0.001 0.000 0.193 82 N C 1.015 176.476 175.510 -0.082 0.000 1.012 82 N CA 2.033 55.033 53.050 -0.085 0.000 0.871 82 N CB -0.435 38.000 38.487 -0.088 0.000 1.011 82 N HN 0.514 nan 8.380 nan 0.000 0.435 83 D N -0.417 119.938 120.400 -0.076 0.000 2.269 83 D HA 0.005 4.646 4.640 0.001 0.000 0.208 83 D C 0.810 177.114 176.300 0.007 0.000 0.963 83 D CA 0.594 54.571 54.000 -0.039 0.000 0.864 83 D CB -0.043 40.728 40.800 -0.047 0.000 0.936 83 D HN 0.330 nan 8.370 nan 0.000 0.505 84 A N -0.915 121.919 122.820 0.025 0.000 2.637 84 A HA 0.733 5.054 4.320 0.001 0.000 0.293 84 A C 0.864 178.493 177.584 0.075 0.000 1.216 84 A CA 0.465 52.551 52.037 0.081 0.000 0.956 84 A CB 0.449 19.552 19.000 0.172 0.000 1.174 84 A HN 0.133 nan 8.150 nan 0.000 0.525 85 A N -2.155 120.685 122.820 0.034 0.000 2.064 85 A HA 0.571 4.892 4.320 0.001 0.000 0.124 85 A C 1.136 178.694 177.584 -0.044 0.000 1.521 85 A CA 0.756 52.806 52.037 0.023 0.000 2.622 85 A CB -0.590 18.425 19.000 0.026 0.000 2.716 85 A HN 1.625 nan 8.150 nan 0.000 1.217 86 G N -0.779 107.942 108.800 -0.132 0.000 4.106 86 G HA2 0.285 4.246 3.960 0.001 0.000 0.220 86 G HA3 0.285 4.246 3.960 0.001 0.000 0.220 86 G C -0.506 174.288 174.900 -0.177 0.000 0.853 86 G CA 0.858 45.771 45.100 -0.312 0.000 0.920 86 G HN 0.766 nan 8.290 nan 0.000 0.715 87 D N -2.067 118.277 120.400 -0.094 0.000 2.851 87 D HA 0.487 5.127 4.640 0.001 0.000 0.339 87 D C 0.973 177.252 176.300 -0.035 0.000 1.347 87 D CA 0.451 54.415 54.000 -0.060 0.000 0.888 87 D CB 1.079 41.855 40.800 -0.040 0.000 1.431 87 D HN 0.998 nan 8.370 nan 0.000 0.509 88 G N -0.552 108.235 108.800 -0.022 0.000 2.307 88 G HA2 -0.311 3.649 3.960 0.001 0.000 0.210 88 G HA3 -0.311 3.649 3.960 0.001 0.000 0.210 88 G C 1.127 176.022 174.900 -0.009 0.000 1.005 88 G CA 0.976 46.073 45.100 -0.004 0.000 0.634 88 G HN 0.524 nan 8.290 nan 0.000 0.496 89 T N 1.235 115.772 114.554 -0.028 0.000 2.656 89 T HA -0.309 4.042 4.350 0.001 0.000 0.262 89 T C 2.292 176.981 174.700 -0.018 0.000 1.070 89 T CA 2.932 65.012 62.100 -0.033 0.000 1.160 89 T CB -0.911 67.932 68.868 -0.040 0.000 0.855 89 T HN 0.580 nan 8.240 nan 0.000 0.456 90 T N 1.389 115.936 114.554 -0.013 0.000 2.942 90 T HA -0.050 4.300 4.350 0.001 0.000 0.265 90 T C 2.333 177.034 174.700 0.001 0.000 1.062 90 T CA 1.520 63.616 62.100 -0.007 0.000 1.139 90 T CB -0.528 68.336 68.868 -0.006 0.000 0.883 90 T HN 0.530 nan 8.240 nan 0.000 0.468 91 T N 2.298 116.855 114.554 0.004 0.000 2.701 91 T HA 0.013 4.364 4.350 0.001 0.000 0.263 91 T C 2.465 177.177 174.700 0.020 0.000 1.040 91 T CA 1.027 63.135 62.100 0.013 0.000 1.147 91 T CB -0.759 68.118 68.868 0.016 0.000 0.865 91 T HN 0.394 nan 8.240 nan 0.000 0.426 92 A N 1.894 124.728 122.820 0.022 0.000 1.906 92 A HA -0.298 4.023 4.320 0.001 0.000 0.222 92 A C 2.547 180.146 177.584 0.024 0.000 1.282 92 A CA 2.817 54.873 52.037 0.032 0.000 0.675 92 A CB -1.680 17.331 19.000 0.018 0.000 0.838 92 A HN 0.509 nan 8.150 nan 0.000 0.469 93 T N -0.748 113.812 114.554 0.010 0.000 2.746 93 T HA -0.074 4.277 4.350 0.001 0.000 0.267 93 T C 1.806 176.513 174.700 0.012 0.000 1.039 93 T CA 1.534 63.639 62.100 0.008 0.000 1.142 93 T CB -0.370 68.498 68.868 0.000 0.000 0.866 93 T HN 0.198 nan 8.240 nan 0.000 0.444 94 V N 0.918 120.839 119.914 0.012 0.000 2.667 94 V HA 0.015 4.136 4.120 0.001 0.000 0.252 94 V C 2.253 178.356 176.094 0.014 0.000 1.065 94 V CA 1.094 63.401 62.300 0.011 0.000 1.083 94 V CB -0.540 31.289 31.823 0.010 0.000 0.692 94 V HN 0.391 nan 8.190 nan 0.000 0.468 95 L N -0.151 121.083 121.223 0.019 0.000 2.084 95 L HA 0.046 4.387 4.340 0.001 0.000 0.202 95 L C 2.766 179.650 176.870 0.024 0.000 1.074 95 L CA 1.276 56.130 54.840 0.022 0.000 0.757 95 L CB -0.772 41.303 42.059 0.028 0.000 0.918 95 L HN 0.283 nan 8.230 nan 0.000 0.444 96 A N -0.263 122.574 122.820 0.028 0.000 1.884 96 A HA -0.374 3.947 4.320 0.001 0.000 0.219 96 A C 2.227 179.824 177.584 0.022 0.000 1.197 96 A CA 2.409 54.464 52.037 0.029 0.000 0.637 96 A CB -0.932 18.086 19.000 0.031 0.000 0.827 96 A HN 0.531 nan 8.150 nan 0.000 0.450 97 Q N -0.817 118.993 119.800 0.017 0.000 2.197 97 Q HA -0.203 4.138 4.340 0.001 0.000 0.207 97 Q C 2.130 178.138 176.000 0.013 0.000 0.984 97 Q CA 1.811 57.622 55.803 0.014 0.000 0.869 97 Q CB -0.319 28.425 28.738 0.011 0.000 0.906 97 Q HN 0.671 nan 8.270 nan 0.000 0.426 98 A N 0.316 123.144 122.820 0.014 0.000 1.874 98 A HA -0.087 4.234 4.320 0.001 0.000 0.214 98 A C 1.905 179.496 177.584 0.013 0.000 1.189 98 A CA 1.075 53.120 52.037 0.012 0.000 0.615 98 A CB -0.424 18.584 19.000 0.013 0.000 0.830 98 A HN 0.418 nan 8.150 nan 0.000 0.443 99 I N -0.046 120.534 120.570 0.015 0.000 2.133 99 I HA -0.217 3.953 4.170 0.001 0.000 0.238 99 I C 2.257 178.383 176.117 0.014 0.000 1.074 99 I CA 1.299 62.608 61.300 0.015 0.000 1.342 99 I CB -0.562 37.448 38.000 0.018 0.000 1.053 99 I HN 0.240 nan 8.210 nan 0.000 0.404 100 I N 0.671 121.251 120.570 0.016 0.000 2.143 100 I HA -0.367 3.803 4.170 0.001 0.000 0.245 100 I C 2.637 178.762 176.117 0.013 0.000 1.068 100 I CA 1.881 63.190 61.300 0.016 0.000 1.326 100 I CB -0.938 37.072 38.000 0.018 0.000 1.028 100 I HN 0.306 nan 8.210 nan 0.000 0.412 101 T N -0.070 114.491 114.554 0.011 0.000 2.720 101 T HA -0.160 4.191 4.350 0.001 0.000 0.268 101 T C 1.853 176.557 174.700 0.008 0.000 1.037 101 T CA 1.396 63.501 62.100 0.009 0.000 1.144 101 T CB -0.098 68.774 68.868 0.008 0.000 0.864 101 T HN 0.305 nan 8.240 nan 0.000 0.444 102 E N 0.135 120.340 120.200 0.008 0.000 2.140 102 E HA 0.126 4.477 4.350 0.001 0.000 0.191 102 E C 2.413 179.017 176.600 0.007 0.000 0.973 102 E CA 0.646 57.050 56.400 0.007 0.000 0.829 102 E CB -0.802 28.902 29.700 0.007 0.000 0.781 102 E HN 0.495 nan 8.360 nan 0.000 0.466 103 G N 2.191 110.997 108.800 0.009 0.000 2.639 103 G HA2 -0.268 3.693 3.960 0.001 0.000 0.216 103 G HA3 -0.268 3.693 3.960 0.001 0.000 0.216 103 G C 1.485 176.390 174.900 0.009 0.000 1.267 103 G CA 0.861 45.967 45.100 0.010 0.000 0.801 103 G HN 0.175 nan 8.290 nan 0.000 0.592 104 L N 0.921 122.150 121.223 0.010 0.000 2.051 104 L HA -0.106 4.235 4.340 0.001 0.000 0.214 104 L C 2.716 179.589 176.870 0.006 0.000 1.076 104 L CA 1.863 56.709 54.840 0.008 0.000 0.758 104 L CB -0.887 41.176 42.059 0.008 0.000 0.890 104 L HN 0.277 nan 8.230 nan 0.000 0.433 105 K N -1.401 119.002 120.400 0.005 0.000 2.147 105 K HA -0.153 4.168 4.320 0.001 0.000 0.205 105 K C 2.023 178.625 176.600 0.004 0.000 1.049 105 K CA 1.214 57.503 56.287 0.004 0.000 0.936 105 K CB -0.021 32.481 32.500 0.004 0.000 0.722 105 K HN 0.362 nan 8.250 nan 0.000 0.446 106 A N 0.511 123.334 122.820 0.005 0.000 1.854 106 A HA -0.109 4.212 4.320 0.001 0.000 0.214 106 A C 2.176 179.763 177.584 0.005 0.000 1.192 106 A CA 1.504 53.544 52.037 0.004 0.000 0.611 106 A CB -0.891 18.112 19.000 0.005 0.000 0.832 106 A HN 0.246 nan 8.150 nan 0.000 0.442 107 V N -0.508 119.410 119.914 0.006 0.000 2.332 107 V HA -0.172 3.948 4.120 0.001 0.000 0.248 107 V C 2.453 178.550 176.094 0.005 0.000 1.055 107 V CA 2.569 64.873 62.300 0.006 0.000 1.038 107 V CB -1.100 30.728 31.823 0.009 0.000 0.651 107 V HN 0.585 nan 8.190 nan 0.000 0.450 108 A N -0.189 122.633 122.820 0.004 0.000 2.121 108 A HA 0.262 4.582 4.320 0.001 0.000 0.218 108 A C 2.340 179.925 177.584 0.001 0.000 1.154 108 A CA 1.774 53.813 52.037 0.002 0.000 0.679 108 A CB -0.792 18.209 19.000 0.001 0.000 0.795 108 A HN 1.108 nan 8.150 nan 0.000 0.458 109 A N -1.892 120.929 122.820 0.002 0.000 2.132 109 A HA 0.440 4.760 4.320 0.001 0.000 0.213 109 A C 1.534 179.118 177.584 0.001 0.000 1.154 109 A CA 1.187 53.225 52.037 0.001 0.000 0.753 109 A CB -0.360 18.641 19.000 0.002 0.000 0.826 109 A HN 1.769 nan 8.150 nan 0.000 0.469 110 G N -1.346 107.455 108.800 0.002 0.000 2.247 110 G HA2 -0.084 3.876 3.960 0.001 0.000 0.111 110 G HA3 -0.084 3.876 3.960 0.001 0.000 0.111 110 G C -0.192 174.709 174.900 0.002 0.000 1.045 110 G CA 0.006 45.107 45.100 0.001 0.000 0.715 110 G HN 0.267 nan 8.290 nan 0.000 0.485 111 M N 0.046 119.647 119.600 0.003 0.000 2.724 111 M HA 0.432 4.913 4.480 0.001 0.000 0.310 111 M C 0.107 176.410 176.300 0.004 0.000 1.217 111 M CA -1.014 54.287 55.300 0.003 0.000 0.894 111 M CB 1.402 34.005 32.600 0.003 0.000 1.719 111 M HN 0.072 nan 8.290 nan 0.000 0.479 112 N N 1.977 120.680 118.700 0.004 0.000 2.405 112 N HA 0.144 4.885 4.740 0.001 0.000 0.260 112 N C -2.140 173.374 175.510 0.007 0.000 1.152 112 N CA -1.257 51.796 53.050 0.005 0.000 0.948 112 N CB 1.107 39.597 38.487 0.004 0.000 1.111 112 N HN 0.260 nan 8.380 nan 0.000 0.485 113 P HA -0.111 nan 4.420 nan 0.000 0.217 113 P C 1.281 178.587 177.300 0.010 0.000 1.148 113 P CA 1.127 64.234 63.100 0.011 0.000 0.828 113 P CB 0.301 32.009 31.700 0.013 0.000 0.783 114 M N -1.037 118.569 119.600 0.009 0.000 2.236 114 M HA -0.075 4.405 4.480 0.001 0.000 0.266 114 M C 1.426 177.730 176.300 0.007 0.000 1.070 114 M CA 1.594 56.899 55.300 0.009 0.000 1.137 114 M CB -0.868 31.737 32.600 0.008 0.000 1.378 114 M HN -0.214 nan 8.290 nan 0.000 0.426 115 D N -0.239 120.164 120.400 0.006 0.000 2.097 115 D HA -0.111 4.530 4.640 0.001 0.000 0.197 115 D C 2.087 178.390 176.300 0.005 0.000 0.984 115 D CA 1.280 55.283 54.000 0.005 0.000 0.826 115 D CB -0.324 40.479 40.800 0.004 0.000 0.973 115 D HN 0.310 nan 8.370 nan 0.000 0.460 116 L N 0.883 122.110 121.223 0.006 0.000 2.013 116 L HA -0.215 4.125 4.340 0.001 0.000 0.212 116 L C 2.563 179.437 176.870 0.007 0.000 1.073 116 L CA 1.365 56.209 54.840 0.007 0.000 0.753 116 L CB -0.365 41.698 42.059 0.008 0.000 0.890 116 L HN 0.002 nan 8.230 nan 0.000 0.432 117 K N 0.083 120.488 120.400 0.008 0.000 2.057 117 K HA -0.231 4.089 4.320 0.001 0.000 0.207 117 K C 2.328 178.932 176.600 0.006 0.000 1.049 117 K CA 1.387 57.679 56.287 0.009 0.000 0.931 117 K CB -0.025 32.481 32.500 0.010 0.000 0.714 117 K HN 0.103 nan 8.250 nan 0.000 0.440 118 R N -0.186 120.317 120.500 0.005 0.000 2.080 118 R HA -0.124 4.217 4.340 0.001 0.000 0.236 118 R C 2.373 178.674 176.300 0.003 0.000 1.137 118 R CA 1.789 57.891 56.100 0.003 0.000 0.943 118 R CB -0.761 29.541 30.300 0.003 0.000 0.846 118 R HN 0.439 nan 8.270 nan 0.000 0.431 119 G N 1.139 109.941 108.800 0.004 0.000 2.586 119 G HA2 -0.329 3.631 3.960 0.001 0.000 0.218 119 G HA3 -0.329 3.631 3.960 0.001 0.000 0.218 119 G C 1.414 176.316 174.900 0.004 0.000 1.216 119 G CA 1.427 46.529 45.100 0.004 0.000 0.786 119 G HN 0.293 nan 8.290 nan 0.000 0.583 120 I N 1.210 121.783 120.570 0.005 0.000 2.143 120 I HA -0.255 3.916 4.170 0.001 0.000 0.245 120 I C 2.386 178.505 176.117 0.003 0.000 1.068 120 I CA 1.853 63.156 61.300 0.006 0.000 1.326 120 I CB -0.176 37.829 38.000 0.008 0.000 1.028 120 I HN 0.124 nan 8.210 nan 0.000 0.412 121 D N 0.171 120.572 120.400 0.001 0.000 2.144 121 D HA -0.194 4.447 4.640 0.001 0.000 0.200 121 D C 2.086 178.384 176.300 -0.004 0.000 0.978 121 D CA 1.071 55.069 54.000 -0.003 0.000 0.833 121 D CB -0.198 40.600 40.800 -0.004 0.000 0.961 121 D HN 0.348 nan 8.370 nan 0.000 0.470 122 K N 0.728 121.127 120.400 -0.001 0.000 2.025 122 K HA -0.064 4.256 4.320 0.001 0.000 0.207 122 K C 2.033 178.633 176.600 -0.000 0.000 1.049 122 K CA 1.216 57.503 56.287 -0.001 0.000 0.933 122 K CB -0.008 32.493 32.500 0.000 0.000 0.714 122 K HN 0.002 nan 8.250 nan 0.000 0.438 123 A N 0.465 123.285 122.820 0.001 0.000 1.933 123 A HA -0.093 4.228 4.320 0.001 0.000 0.218 123 A C 2.195 179.781 177.584 0.002 0.000 1.175 123 A CA 1.518 53.557 52.037 0.003 0.000 0.628 123 A CB -0.539 18.463 19.000 0.005 0.000 0.814 123 A HN 0.176 nan 8.150 nan 0.000 0.444 124 V N -0.432 119.481 119.914 -0.000 0.000 2.358 124 V HA -0.212 3.909 4.120 0.001 0.000 0.246 124 V C 2.714 178.804 176.094 -0.007 0.000 1.047 124 V CA 2.405 64.703 62.300 -0.003 0.000 1.035 124 V CB -1.259 30.559 31.823 -0.007 0.000 0.658 124 V HN 0.585 nan 8.190 nan 0.000 0.452 125 T N 0.417 114.967 114.554 -0.008 0.000 2.684 125 T HA -0.199 4.152 4.350 0.001 0.000 0.267 125 T C 2.070 176.768 174.700 -0.005 0.000 1.036 125 T CA 1.810 63.905 62.100 -0.009 0.000 1.148 125 T CB -0.427 68.436 68.868 -0.008 0.000 0.863 125 T HN 0.583 nan 8.240 nan 0.000 0.436 126 A N 1.568 124.387 122.820 -0.001 0.000 1.845 126 A HA 0.117 4.437 4.320 0.001 0.000 0.215 126 A C 2.687 180.273 177.584 0.003 0.000 1.195 126 A CA 2.038 54.076 52.037 0.001 0.000 0.616 126 A CB -1.346 17.655 19.000 0.003 0.000 0.832 126 A HN 0.509 nan 8.150 nan 0.000 0.443 127 A N -0.626 122.197 122.820 0.004 0.000 1.948 127 A HA -0.073 4.248 4.320 0.001 0.000 0.220 127 A C 2.196 179.782 177.584 0.005 0.000 1.177 127 A CA 1.995 54.036 52.037 0.006 0.000 0.636 127 A CB -1.051 17.954 19.000 0.008 0.000 0.815 127 A HN 0.493 nan 8.150 nan 0.000 0.449 128 V N -0.292 119.622 119.914 -0.000 0.000 2.490 128 V HA -0.212 3.909 4.120 0.001 0.000 0.250 128 V C 2.555 178.650 176.094 0.001 0.000 1.061 128 V CA 2.268 64.567 62.300 -0.002 0.000 1.064 128 V CB -0.707 31.110 31.823 -0.011 0.000 0.670 128 V HN 0.522 nan 8.190 nan 0.000 0.461 129 E N 0.193 120.394 120.200 0.002 0.000 2.028 129 E HA -0.137 4.213 4.350 0.001 0.000 0.191 129 E C 2.353 178.957 176.600 0.007 0.000 0.988 129 E CA 0.992 57.394 56.400 0.004 0.000 0.799 129 E CB -0.316 29.386 29.700 0.003 0.000 0.755 129 E HN 0.506 nan 8.360 nan 0.000 0.447 130 E N 0.127 120.332 120.200 0.008 0.000 2.130 130 E HA -0.205 4.146 4.350 0.001 0.000 0.196 130 E C 2.139 178.748 176.600 0.014 0.000 0.998 130 E CA 0.662 57.069 56.400 0.012 0.000 0.806 130 E CB -0.278 29.430 29.700 0.013 0.000 0.738 130 E HN 0.154 nan 8.360 nan 0.000 0.459 131 L N 1.536 122.767 121.223 0.013 0.000 2.042 131 L HA -0.197 4.144 4.340 0.001 0.000 0.210 131 L C 2.204 179.083 176.870 0.014 0.000 1.076 131 L CA 1.705 56.554 54.840 0.015 0.000 0.749 131 L CB -0.328 41.739 42.059 0.013 0.000 0.893 131 L HN 0.006 nan 8.230 nan 0.000 0.432 132 K N -1.203 119.203 120.400 0.011 0.000 2.280 132 K HA -0.108 4.213 4.320 0.001 0.000 0.202 132 K C 1.962 178.569 176.600 0.012 0.000 1.047 132 K CA 1.108 57.401 56.287 0.011 0.000 0.942 132 K CB -0.182 32.323 32.500 0.008 0.000 0.739 132 K HN 0.392 nan 8.250 nan 0.000 0.457 133 A N 1.185 124.012 122.820 0.013 0.000 1.878 133 A HA -0.061 4.260 4.320 0.001 0.000 0.213 133 A C 1.997 179.591 177.584 0.016 0.000 1.192 133 A CA 0.569 52.614 52.037 0.013 0.000 0.619 133 A CB -0.328 18.680 19.000 0.013 0.000 0.837 133 A HN 0.214 nan 8.150 nan 0.000 0.446 134 L N 0.357 121.592 121.223 0.019 0.000 2.291 134 L HA 0.104 4.445 4.340 0.001 0.000 0.214 134 L C 1.319 178.203 176.870 0.023 0.000 1.120 134 L CA 1.096 55.950 54.840 0.023 0.000 0.799 134 L CB -0.589 41.487 42.059 0.027 0.000 0.925 134 L HN 0.253 nan 8.230 nan 0.000 0.446 135 S N -0.225 115.487 115.700 0.020 0.000 2.575 135 S HA 0.086 4.557 4.470 0.001 0.000 0.295 135 S C -0.022 174.590 174.600 0.019 0.000 1.267 135 S CA -0.497 57.714 58.200 0.019 0.000 1.074 135 S CB -0.054 63.156 63.200 0.017 0.000 0.829 135 S HN 0.105 nan 8.310 nan 0.000 0.497 136 V N 9.396 129.322 119.914 0.020 0.000 2.385 136 V HA 0.299 4.420 4.120 0.001 0.000 0.269 136 V C -1.847 174.256 176.094 0.016 0.000 1.043 136 V CA -1.720 60.591 62.300 0.018 0.000 0.906 136 V CB 0.701 32.535 31.823 0.020 0.000 0.995 136 V HN 0.771 nan 8.190 nan 0.000 0.467 137 P HA 0.058 nan 4.420 nan 0.000 0.268 137 P C -0.462 176.846 177.300 0.013 0.000 1.208 137 P CA -0.095 63.013 63.100 0.013 0.000 0.777 137 P CB 0.373 32.080 31.700 0.012 0.000 0.875 138 C N 2.304 121.612 119.300 0.012 0.000 3.123 138 C HA 0.497 4.958 4.460 0.001 0.000 0.284 138 C C 1.227 176.224 174.990 0.010 0.000 1.076 138 C CA 0.211 59.236 59.018 0.012 0.000 1.416 138 C CB -1.039 26.709 27.740 0.013 0.000 1.841 138 C HN 0.631 nan 8.230 nan 0.000 0.501 139 S N 2.283 117.988 115.700 0.009 0.000 2.731 139 S HA 0.183 4.654 4.470 0.001 0.000 0.244 139 S C 0.428 175.032 174.600 0.006 0.000 1.084 139 S CA 0.502 58.707 58.200 0.008 0.000 0.877 139 S CB -0.073 63.132 63.200 0.008 0.000 0.798 139 S HN 0.930 nan 8.310 nan 0.000 0.496 140 D N 0.801 121.204 120.400 0.006 0.000 2.348 140 D HA 0.331 4.972 4.640 0.001 0.000 0.249 140 D C 0.844 177.146 176.300 0.004 0.000 1.110 140 D CA -0.219 53.784 54.000 0.005 0.000 0.967 140 D CB 1.036 41.839 40.800 0.005 0.000 1.139 140 D HN 0.057 nan 8.370 nan 0.000 0.466 141 S N -0.104 115.598 115.700 0.003 0.000 2.387 141 S HA -0.217 4.253 4.470 0.001 0.000 0.230 141 S C 1.597 176.199 174.600 0.003 0.000 1.035 141 S CA 1.506 59.707 58.200 0.002 0.000 1.014 141 S CB -0.292 62.909 63.200 0.001 0.000 0.836 141 S HN 0.611 nan 8.310 nan 0.000 0.466 142 K N 0.810 121.212 120.400 0.003 0.000 2.063 142 K HA -0.077 4.243 4.320 0.001 0.000 0.208 142 K C 2.085 178.687 176.600 0.005 0.000 1.048 142 K CA 1.333 57.622 56.287 0.004 0.000 0.928 142 K CB -0.313 32.190 32.500 0.004 0.000 0.713 142 K HN 0.324 nan 8.250 nan 0.000 0.442 143 A N 0.820 123.644 122.820 0.006 0.000 1.930 143 A HA -0.057 4.264 4.320 0.001 0.000 0.215 143 A C 1.919 179.508 177.584 0.007 0.000 1.176 143 A CA 0.806 52.847 52.037 0.007 0.000 0.632 143 A CB -0.351 18.654 19.000 0.008 0.000 0.819 143 A HN 0.219 nan 8.150 nan 0.000 0.445 144 I N 0.470 121.044 120.570 0.006 0.000 2.076 144 I HA -0.270 3.901 4.170 0.001 0.000 0.237 144 I C 2.993 179.113 176.117 0.005 0.000 1.059 144 I CA 1.527 62.830 61.300 0.006 0.000 1.317 144 I CB -1.716 36.286 38.000 0.004 0.000 1.037 144 I HN 0.347 nan 8.210 nan 0.000 0.398 145 A N -0.099 122.723 122.820 0.004 0.000 1.948 145 A HA -0.309 4.011 4.320 0.001 0.000 0.220 145 A C 2.363 179.949 177.584 0.004 0.000 1.177 145 A CA 2.231 54.270 52.037 0.003 0.000 0.636 145 A CB -0.869 18.132 19.000 0.002 0.000 0.815 145 A HN 0.607 nan 8.150 nan 0.000 0.449 146 Q N -0.802 119.001 119.800 0.005 0.000 2.020 146 Q HA -0.131 4.209 4.340 0.001 0.000 0.202 146 Q C 2.039 178.042 176.000 0.006 0.000 0.982 146 Q CA 1.960 57.766 55.803 0.005 0.000 0.838 146 Q CB -0.278 28.463 28.738 0.006 0.000 0.899 146 Q HN 0.380 nan 8.270 nan 0.000 0.423 147 V N 0.287 120.206 119.914 0.008 0.000 2.490 147 V HA -0.186 3.935 4.120 0.001 0.000 0.250 147 V C 2.078 178.178 176.094 0.010 0.000 1.061 147 V CA 1.957 64.263 62.300 0.010 0.000 1.064 147 V CB -0.764 31.067 31.823 0.013 0.000 0.670 147 V HN 0.656 nan 8.190 nan 0.000 0.461 148 G N -0.248 108.558 108.800 0.009 0.000 2.459 148 G HA2 -0.331 3.629 3.960 0.001 0.000 0.217 148 G HA3 -0.331 3.629 3.960 0.001 0.000 0.217 148 G C 1.765 176.669 174.900 0.007 0.000 1.183 148 G CA 1.780 46.885 45.100 0.009 0.000 0.776 148 G HN 0.575 nan 8.290 nan 0.000 0.552 149 T N -0.349 114.208 114.554 0.004 0.000 2.788 149 T HA -0.007 4.343 4.350 0.001 0.000 0.268 149 T C 2.412 177.113 174.700 0.002 0.000 1.044 149 T CA 1.206 63.307 62.100 0.002 0.000 1.139 149 T CB -0.255 68.613 68.868 0.001 0.000 0.867 149 T HN 0.192 nan 8.240 nan 0.000 0.454 150 I N 1.383 121.954 120.570 0.002 0.000 2.226 150 I HA -0.125 4.046 4.170 0.001 0.000 0.245 150 I C 3.040 179.158 176.117 0.001 0.000 1.100 150 I CA 1.304 62.604 61.300 0.000 0.000 1.374 150 I CB -0.374 37.626 38.000 0.001 0.000 1.057 150 I HN 0.303 nan 8.210 nan 0.000 0.413 151 S N 0.207 115.911 115.700 0.005 0.000 2.402 151 S HA -0.021 4.450 4.470 0.001 0.000 0.229 151 S C 1.872 176.477 174.600 0.008 0.000 1.021 151 S CA 1.088 59.293 58.200 0.008 0.000 0.974 151 S CB -0.158 63.052 63.200 0.016 0.000 0.800 151 S HN 0.440 nan 8.310 nan 0.000 0.484 152 A N 1.434 124.258 122.820 0.007 0.000 2.327 152 A HA 0.298 4.619 4.320 0.001 0.000 0.228 152 A C 0.517 178.101 177.584 0.001 0.000 1.275 152 A CA 0.033 52.074 52.037 0.005 0.000 0.875 152 A CB -0.953 18.051 19.000 0.006 0.000 0.925 152 A HN 0.764 nan 8.150 nan 0.000 0.493 153 N N 0.223 118.922 118.700 -0.001 0.000 2.573 153 N HA -0.193 4.547 4.740 0.001 0.000 0.275 153 N C -0.110 175.396 175.510 -0.005 0.000 1.208 153 N CA 0.466 53.513 53.050 -0.005 0.000 0.688 153 N CB -1.057 37.427 38.487 -0.006 0.000 0.882 153 N HN 0.410 nan 8.380 nan 0.000 0.548 154 S N 0.346 116.043 115.700 -0.006 0.000 3.521 154 S HA -0.214 4.257 4.470 0.001 0.000 0.362 154 S C -0.367 174.230 174.600 -0.004 0.000 1.044 154 S CA 1.191 59.388 58.200 -0.006 0.000 1.091 154 S CB -0.646 62.550 63.200 -0.008 0.000 0.908 154 S HN 0.711 nan 8.310 nan 0.000 0.473 155 D N 0.577 120.975 120.400 -0.002 0.000 2.479 155 D HA 0.300 4.941 4.640 0.001 0.000 0.247 155 D C 0.993 177.292 176.300 -0.001 0.000 1.119 155 D CA -0.493 53.506 54.000 -0.002 0.000 0.922 155 D CB 0.512 41.311 40.800 -0.002 0.000 1.014 155 D HN 0.394 nan 8.370 nan 0.000 0.510 156 E N 0.410 120.609 120.200 -0.002 0.000 2.130 156 E HA -0.222 4.128 4.350 0.001 0.000 0.196 156 E C 1.779 178.378 176.600 -0.001 0.000 0.998 156 E CA 1.735 58.135 56.400 -0.001 0.000 0.806 156 E CB 0.273 29.972 29.700 -0.001 0.000 0.738 156 E HN 0.577 nan 8.360 nan 0.000 0.459 157 T N -1.701 112.852 114.554 -0.002 0.000 2.915 157 T HA -0.086 4.264 4.350 0.001 0.000 0.269 157 T C 1.942 176.641 174.700 -0.002 0.000 1.071 157 T CA 1.035 63.134 62.100 -0.002 0.000 1.132 157 T CB -0.244 68.623 68.868 -0.002 0.000 0.878 157 T HN -0.040 nan 8.240 nan 0.000 0.479 158 V N 1.825 121.738 119.914 -0.001 0.000 2.283 158 V HA 0.098 4.219 4.120 0.001 0.000 0.243 158 V C 3.168 179.261 176.094 -0.000 0.000 1.039 158 V CA 1.737 64.037 62.300 -0.001 0.000 1.016 158 V CB -1.521 30.303 31.823 0.001 0.000 0.650 158 V HN 0.635 nan 8.190 nan 0.000 0.449 159 G N -0.412 108.388 108.800 0.001 0.000 2.469 159 G HA2 -0.350 3.611 3.960 0.001 0.000 0.219 159 G HA3 -0.350 3.611 3.960 0.001 0.000 0.219 159 G C 1.644 176.544 174.900 -0.000 0.000 1.150 159 G CA 1.270 46.371 45.100 0.001 0.000 0.763 159 G HN 0.454 nan 8.290 nan 0.000 0.561 160 K N -0.621 119.778 120.400 -0.001 0.000 2.059 160 K HA -0.133 4.188 4.320 0.001 0.000 0.212 160 K C 2.478 179.076 176.600 -0.003 0.000 1.050 160 K CA 1.286 57.572 56.287 -0.002 0.000 0.927 160 K CB -0.227 32.272 32.500 -0.002 0.000 0.714 160 K HN 0.242 nan 8.250 nan 0.000 0.447 161 L N 0.984 122.205 121.223 -0.004 0.000 2.027 161 L HA -0.104 4.237 4.340 0.001 0.000 0.206 161 L C 2.175 179.041 176.870 -0.007 0.000 1.074 161 L CA 1.377 56.214 54.840 -0.005 0.000 0.745 161 L CB -0.476 41.580 42.059 -0.006 0.000 0.898 161 L HN 0.214 nan 8.230 nan 0.000 0.433 162 I N -0.816 119.750 120.570 -0.006 0.000 2.127 162 I HA -0.343 3.828 4.170 0.001 0.000 0.241 162 I C 2.554 178.668 176.117 -0.006 0.000 1.075 162 I CA 1.364 62.660 61.300 -0.007 0.000 1.334 162 I CB -0.482 37.515 38.000 -0.004 0.000 1.040 162 I HN 0.235 nan 8.210 nan 0.000 0.405 163 A N -0.002 122.816 122.820 -0.003 0.000 1.940 163 A HA -0.252 4.068 4.320 0.001 0.000 0.219 163 A C 2.215 179.797 177.584 -0.004 0.000 1.176 163 A CA 1.826 53.862 52.037 -0.003 0.000 0.631 163 A CB -0.603 18.397 19.000 -0.001 0.000 0.814 163 A HN 0.466 nan 8.150 nan 0.000 0.446 164 E N -0.609 119.588 120.200 -0.005 0.000 2.150 164 E HA -0.041 4.309 4.350 0.001 0.000 0.193 164 E C 2.270 178.865 176.600 -0.007 0.000 0.985 164 E CA 0.744 57.141 56.400 -0.005 0.000 0.814 164 E CB -0.190 29.507 29.700 -0.005 0.000 0.752 164 E HN 0.641 nan 8.360 nan 0.000 0.466 165 A N 0.811 123.626 122.820 -0.009 0.000 1.872 165 A HA -0.137 4.183 4.320 0.001 0.000 0.214 165 A C 2.107 179.684 177.584 -0.011 0.000 1.187 165 A CA 1.073 53.103 52.037 -0.011 0.000 0.614 165 A CB -0.332 18.659 19.000 -0.015 0.000 0.826 165 A HN 0.128 nan 8.150 nan 0.000 0.442 166 M N -0.894 118.701 119.600 -0.010 0.000 2.229 166 M HA -0.134 4.347 4.480 0.001 0.000 0.264 166 M C 1.626 177.922 176.300 -0.006 0.000 1.063 166 M CA 1.635 56.931 55.300 -0.008 0.000 1.114 166 M CB -0.491 32.105 32.600 -0.006 0.000 1.387 166 M HN 0.372 nan 8.290 nan 0.000 0.420 167 D N 0.614 121.011 120.400 -0.005 0.000 2.218 167 D HA -0.112 4.528 4.640 0.001 0.000 0.204 167 D C 1.967 178.265 176.300 -0.005 0.000 0.976 167 D CA 1.126 55.124 54.000 -0.004 0.000 0.853 167 D CB 0.262 41.060 40.800 -0.004 0.000 0.939 167 D HN 0.203 nan 8.370 nan 0.000 0.481 168 K N -0.916 119.481 120.400 -0.006 0.000 2.287 168 K HA 0.126 4.446 4.320 0.001 0.000 0.199 168 K C 1.230 177.826 176.600 -0.007 0.000 1.061 168 K CA 0.187 56.471 56.287 -0.006 0.000 0.976 168 K CB 0.705 33.200 32.500 -0.007 0.000 0.898 168 K HN -0.008 nan 8.250 nan 0.000 0.492 169 V N 0.582 120.491 119.914 -0.008 0.000 3.578 169 V HA 0.230 4.351 4.120 0.001 0.000 0.290 169 V C -0.119 175.970 176.094 -0.007 0.000 1.376 169 V CA 0.666 62.961 62.300 -0.009 0.000 1.083 169 V CB 0.180 31.996 31.823 -0.011 0.000 0.911 169 V HN 0.557 nan 8.190 nan 0.000 0.433 170 G N 0.680 109.476 108.800 -0.006 0.000 2.730 170 G HA2 -0.199 3.761 3.960 0.001 0.000 0.686 170 G HA3 -0.199 3.761 3.960 0.001 0.000 0.686 170 G C 0.152 175.048 174.900 -0.006 0.000 1.343 170 G CA 0.069 45.166 45.100 -0.005 0.000 0.826 170 G HN 0.297 nan 8.290 nan 0.000 0.582 171 K N 0.026 120.424 120.400 -0.003 0.000 2.209 171 K HA -0.071 4.250 4.320 0.001 0.000 0.204 171 K C 2.114 178.712 176.600 -0.004 0.000 1.048 171 K CA 1.802 58.087 56.287 -0.003 0.000 0.940 171 K CB 0.042 32.542 32.500 0.001 0.000 0.729 171 K HN 0.430 nan 8.250 nan 0.000 0.451 172 E N 0.255 120.453 120.200 -0.003 0.000 2.250 172 E HA 0.039 4.390 4.350 0.001 0.000 0.192 172 E C 0.699 177.294 176.600 -0.008 0.000 0.986 172 E CA 0.153 56.551 56.400 -0.003 0.000 0.849 172 E CB -0.032 29.668 29.700 0.000 0.000 0.797 172 E HN 0.297 nan 8.360 nan 0.000 0.482 173 G N 0.321 109.116 108.800 -0.009 0.000 2.647 173 G HA2 0.127 4.087 3.960 0.001 0.000 0.234 173 G HA3 0.127 4.087 3.960 0.001 0.000 0.234 173 G C -0.110 174.778 174.900 -0.020 0.000 1.252 173 G CA -0.367 44.725 45.100 -0.012 0.000 0.846 173 G HN 0.035 nan 8.290 nan 0.000 0.589 174 V N 1.537 121.437 119.914 -0.023 0.000 2.488 174 V HA 0.328 4.449 4.120 0.001 0.000 0.277 174 V C 0.310 176.381 176.094 -0.037 0.000 1.046 174 V CA -0.025 62.254 62.300 -0.034 0.000 0.986 174 V CB 0.635 32.437 31.823 -0.035 0.000 0.989 174 V HN 0.477 nan 8.190 nan 0.000 0.475 175 I N 4.737 125.278 120.570 -0.048 0.000 2.447 175 I HA 0.566 4.737 4.170 0.001 0.000 0.287 175 I C 0.326 176.408 176.117 -0.058 0.000 1.023 175 I CA -0.083 61.189 61.300 -0.047 0.000 1.083 175 I CB 2.236 40.209 38.000 -0.045 0.000 1.245 175 I HN 0.798 nan 8.210 nan 0.000 0.434 176 T N 2.383 116.908 114.554 -0.048 0.000 2.910 176 T HA 0.843 5.193 4.350 0.001 0.000 0.287 176 T C -0.640 174.038 174.700 -0.037 0.000 1.050 176 T CA -0.875 61.196 62.100 -0.048 0.000 1.011 176 T CB 2.027 70.868 68.868 -0.045 0.000 1.195 176 T HN 0.177 nan 8.240 nan 0.000 0.540 177 V N 1.158 121.053 119.914 -0.032 0.000 2.483 177 V HA 0.494 4.615 4.120 0.001 0.000 0.297 177 V C -0.227 175.856 176.094 -0.018 0.000 1.027 177 V CA -0.766 61.520 62.300 -0.022 0.000 0.855 177 V CB 1.289 33.101 31.823 -0.018 0.000 0.995 177 V HN 0.959 nan 8.190 nan 0.000 0.424 178 E N 1.755 121.945 120.200 -0.017 0.000 2.243 178 E HA 0.424 4.774 4.350 0.001 0.000 0.260 178 E C -1.215 175.378 176.600 -0.011 0.000 0.985 178 E CA -0.955 55.436 56.400 -0.015 0.000 0.858 178 E CB 1.435 31.125 29.700 -0.016 0.000 1.210 178 E HN 0.661 nan 8.360 nan 0.000 0.411 179 D N 0.396 120.790 120.400 -0.010 0.000 2.390 179 D HA 0.228 4.869 4.640 0.001 0.000 0.249 179 D C -0.079 176.216 176.300 -0.009 0.000 1.144 179 D CA 0.257 54.252 54.000 -0.009 0.000 0.880 179 D CB 0.985 41.780 40.800 -0.008 0.000 1.182 179 D HN 0.418 nan 8.370 nan 0.000 0.451 180 G N 0.334 109.129 108.800 -0.008 0.000 2.503 180 G HA2 0.314 4.275 3.960 0.001 0.000 0.257 180 G HA3 0.314 4.275 3.960 0.001 0.000 0.257 180 G C 1.059 175.955 174.900 -0.008 0.000 1.214 180 G CA -0.343 44.752 45.100 -0.008 0.000 0.839 180 G HN 0.511 nan 8.290 nan 0.000 0.559 181 T N -0.676 113.874 114.554 -0.008 0.000 3.033 181 T HA 0.306 4.657 4.350 0.001 0.000 0.248 181 T C 1.353 176.049 174.700 -0.006 0.000 1.040 181 T CA 0.827 62.923 62.100 -0.007 0.000 1.133 181 T CB 0.147 69.010 68.868 -0.008 0.000 0.895 181 T HN 0.722 nan 8.240 nan 0.000 0.465 182 G N 0.881 109.677 108.800 -0.006 0.000 3.008 182 G HA2 0.530 4.491 3.960 0.001 0.000 0.181 182 G HA3 0.530 4.491 3.960 0.001 0.000 0.181 182 G C 0.326 175.223 174.900 -0.005 0.000 1.309 182 G CA -0.237 44.859 45.100 -0.005 0.000 1.009 182 G HN 0.251 nan 8.290 nan 0.000 0.584 183 L N -0.933 120.287 121.223 -0.005 0.000 2.375 183 L HA 0.325 4.666 4.340 0.001 0.000 0.215 183 L C 0.883 177.751 176.870 -0.004 0.000 1.108 183 L CA 0.665 55.502 54.840 -0.004 0.000 0.830 183 L CB -0.323 41.734 42.059 -0.004 0.000 0.959 183 L HN 0.242 nan 8.230 nan 0.000 0.457 184 Q N 1.484 121.282 119.800 -0.005 0.000 2.293 184 Q HA 0.170 4.511 4.340 0.001 0.000 0.251 184 Q C -0.812 175.185 176.000 -0.005 0.000 0.930 184 Q CA -0.226 55.574 55.803 -0.005 0.000 0.893 184 Q CB 0.816 29.551 28.738 -0.005 0.000 1.215 184 Q HN 0.302 nan 8.270 nan 0.000 0.425 185 D N 2.007 122.403 120.400 -0.005 0.000 2.345 185 D HA 0.169 4.810 4.640 0.001 0.000 0.247 185 D C -0.239 176.057 176.300 -0.007 0.000 1.108 185 D CA 0.211 54.208 54.000 -0.006 0.000 0.894 185 D CB 1.139 41.936 40.800 -0.006 0.000 1.203 185 D HN 0.347 nan 8.370 nan 0.000 0.430 186 E N 0.616 120.812 120.200 -0.008 0.000 2.277 186 E HA 0.582 4.932 4.350 0.001 0.000 0.266 186 E C -0.788 175.806 176.600 -0.009 0.000 0.901 186 E CA -0.869 55.526 56.400 -0.008 0.000 0.782 186 E CB 2.549 32.244 29.700 -0.009 0.000 1.228 186 E HN 0.176 nan 8.360 nan 0.000 0.424 187 L N 2.748 123.966 121.223 -0.009 0.000 2.471 187 L HA 0.363 4.703 4.340 0.001 0.000 0.263 187 L C -1.608 175.255 176.870 -0.011 0.000 0.985 187 L CA -0.440 54.394 54.840 -0.010 0.000 0.868 187 L CB 0.759 42.813 42.059 -0.010 0.000 1.203 187 L HN 0.484 nan 8.230 nan 0.000 0.429 188 D N 3.686 124.079 120.400 -0.012 0.000 2.217 188 D HA 0.492 5.133 4.640 0.001 0.000 0.248 188 D C -0.465 175.827 176.300 -0.013 0.000 1.008 188 D CA -0.223 53.770 54.000 -0.012 0.000 0.914 188 D CB 2.818 43.610 40.800 -0.012 0.000 1.182 188 D HN 0.269 nan 8.370 nan 0.000 0.451 189 V N -0.892 119.015 119.914 -0.011 0.000 2.513 189 V HA 0.774 4.895 4.120 0.001 0.000 0.299 189 V C -0.070 176.017 176.094 -0.011 0.000 1.035 189 V CA -0.690 61.603 62.300 -0.012 0.000 0.889 189 V CB 1.577 33.394 31.823 -0.010 0.000 0.988 189 V HN 0.328 nan 8.190 nan 0.000 0.440 190 V N 2.160 122.067 119.914 -0.012 0.000 3.147 190 V HA 0.518 4.639 4.120 0.001 0.000 0.306 190 V C -0.726 175.362 176.094 -0.010 0.000 1.209 190 V CA -0.577 61.716 62.300 -0.012 0.000 1.023 190 V CB 2.539 34.353 31.823 -0.015 0.000 1.059 190 V HN 1.037 nan 8.190 nan 0.000 0.435 191 E N 3.064 123.258 120.200 -0.009 0.000 2.292 191 E HA 0.485 4.836 4.350 0.001 0.000 0.265 191 E C 0.146 176.744 176.600 -0.004 0.000 1.093 191 E CA 0.493 56.891 56.400 -0.005 0.000 0.922 191 E CB 0.841 30.539 29.700 -0.004 0.000 1.001 191 E HN 0.947 nan 8.360 nan 0.000 0.444 192 G N 1.685 110.485 108.800 -0.000 0.000 2.663 192 G HA2 0.656 4.617 3.960 0.001 0.000 0.299 192 G HA3 0.656 4.617 3.960 0.001 0.000 0.299 192 G C -1.208 173.699 174.900 0.012 0.000 1.372 192 G CA -0.641 44.460 45.100 0.002 0.000 0.781 192 G HN 0.379 nan 8.290 nan 0.000 0.491 193 M N -0.120 119.488 119.600 0.015 0.000 2.562 193 M HA 0.546 5.027 4.480 0.001 0.000 0.281 193 M C -2.318 173.982 176.300 -0.001 0.000 1.195 193 M CA -0.640 54.683 55.300 0.038 0.000 0.888 193 M CB 2.494 35.154 32.600 0.100 0.000 1.731 193 M HN 0.708 nan 8.290 nan 0.000 0.493 194 Q N 3.592 123.394 119.800 0.003 0.000 2.305 194 Q HA 0.653 4.994 4.340 0.001 0.000 0.271 194 Q C -2.230 173.770 176.000 -0.001 0.000 1.046 194 Q CA -0.633 55.106 55.803 -0.106 0.000 0.798 194 Q CB 2.007 30.685 28.738 -0.099 0.000 1.286 194 Q HN 0.588 nan 8.270 nan 0.000 0.435 195 F N -0.092 119.857 119.950 -0.002 0.000 2.603 195 F HA 0.521 5.049 4.527 0.001 0.000 0.317 195 F C -0.434 175.368 175.800 0.002 0.000 1.066 195 F CA -1.253 56.748 58.000 0.002 0.000 0.941 195 F CB 1.143 40.146 39.000 0.005 0.000 1.291 195 F HN 0.321 nan 8.300 nan 0.000 0.472 196 D N 2.317 122.876 120.400 0.264 0.000 2.671 196 D HA 0.178 4.819 4.640 0.001 0.000 0.228 196 D C -0.478 175.929 176.300 0.178 0.000 1.102 196 D CA 0.428 54.515 54.000 0.145 0.000 1.044 196 D CB -0.045 40.818 40.800 0.105 0.000 1.113 196 D HN 0.404 nan 8.370 nan 0.000 0.480 197 R N -0.443 120.169 120.500 0.188 0.000 2.574 197 R HA 0.520 4.861 4.340 0.001 0.000 0.288 197 R C 0.039 176.363 176.300 0.040 0.000 1.004 197 R CA -0.557 55.647 56.100 0.173 0.000 0.895 197 R CB 1.945 32.467 30.300 0.371 0.000 1.191 197 R HN 0.187 nan 8.270 nan 0.000 0.444 198 G N 1.446 110.227 108.800 -0.032 0.000 2.488 198 G HA2 0.329 4.290 3.960 0.001 0.000 0.318 198 G HA3 0.329 4.290 3.960 0.001 0.000 0.318 198 G C -0.838 174.009 174.900 -0.088 0.000 1.188 198 G CA -0.568 44.421 45.100 -0.184 0.000 0.944 198 G HN 0.543 nan 8.290 nan 0.000 0.495 199 Y N -1.069 119.299 120.300 0.114 0.000 2.652 199 Y HA 0.273 4.824 4.550 0.001 0.000 0.344 199 Y C 0.978 177.008 175.900 0.216 0.000 1.254 199 Y CA -1.126 57.081 58.100 0.179 0.000 1.480 199 Y CB 0.266 38.884 38.460 0.264 0.000 1.345 199 Y HN 0.141 nan 8.280 nan 0.000 0.617 200 L N 1.512 123.058 121.223 0.538 0.000 2.591 200 L HA 0.244 4.584 4.340 0.001 0.000 0.228 200 L C 0.313 177.439 176.870 0.427 0.000 1.133 200 L CA 0.731 55.824 54.840 0.421 0.000 0.880 200 L CB -0.628 41.630 42.059 0.331 0.000 1.033 200 L HN 0.777 nan 8.230 nan 0.000 0.450 201 S N -1.933 114.071 115.700 0.507 0.000 2.570 201 S HA 0.338 4.809 4.470 0.001 0.000 0.286 201 S C -2.441 172.098 174.600 -0.102 0.000 1.143 201 S CA -0.667 57.596 58.200 0.106 0.000 0.921 201 S CB 1.345 64.348 63.200 -0.329 0.000 1.108 201 S HN -0.191 nan 8.310 nan 0.000 0.456 202 P HA 0.007 nan 4.420 nan 0.000 0.234 202 P C 0.178 177.273 177.300 -0.342 0.000 1.162 202 P CA 0.805 63.672 63.100 -0.388 0.000 0.759 202 P CB -0.164 31.484 31.700 -0.085 0.000 0.813 203 Y N -3.066 116.947 120.300 -0.478 0.000 2.490 203 Y HA 0.130 4.680 4.550 0.001 0.000 0.281 203 Y C 1.466 177.114 175.900 -0.419 0.000 1.174 203 Y CA 0.246 58.090 58.100 -0.426 0.000 1.295 203 Y CB -0.784 37.417 38.460 -0.431 0.000 1.062 203 Y HN -0.060 nan 8.280 nan 0.000 0.522 204 F N -0.601 119.314 119.950 -0.057 0.000 2.664 204 F HA 0.149 4.677 4.527 0.001 0.000 0.296 204 F C 0.927 176.668 175.800 -0.100 0.000 1.125 204 F CA -0.702 57.264 58.000 -0.056 0.000 1.444 204 F CB -0.510 38.471 39.000 -0.032 0.000 1.114 204 F HN -0.194 nan 8.300 nan 0.000 0.576 205 I N 3.333 123.870 120.570 -0.055 0.000 2.845 205 I HA -0.169 4.002 4.170 0.001 0.000 0.290 205 I C 1.270 177.367 176.117 -0.033 0.000 1.202 205 I CA 0.361 61.615 61.300 -0.076 0.000 1.406 205 I CB 0.251 38.152 38.000 -0.165 0.000 1.383 205 I HN 0.285 nan 8.210 nan 0.000 0.549 206 N N 6.265 124.966 118.700 0.001 0.000 2.294 206 N HA 0.000 4.741 4.740 0.001 0.000 0.186 206 N C 0.000 175.505 175.510 -0.008 0.000 1.107 206 N CA 0.019 53.069 53.050 -0.000 0.000 0.884 206 N CB 0.540 39.039 38.487 0.019 0.000 1.030 206 N HN 0.401 nan 8.380 nan 0.000 0.482 207 K N 2.355 122.752 120.400 -0.005 0.000 2.357 207 K HA 0.276 4.596 4.320 0.001 0.000 0.251 207 K C -1.786 174.806 176.600 -0.012 0.000 1.069 207 K CA -1.651 54.633 56.287 -0.005 0.000 0.994 207 K CB 2.200 34.704 32.500 0.007 0.000 1.411 207 K HN 0.038 nan 8.250 nan 0.000 0.450 208 P HA -0.170 nan 4.420 nan 0.000 0.218 208 P C 0.760 178.048 177.300 -0.019 0.000 1.149 208 P CA 1.155 64.233 63.100 -0.035 0.000 0.817 208 P CB 0.554 32.228 31.700 -0.044 0.000 0.785 209 E N 0.254 120.448 120.200 -0.011 0.000 2.005 209 E HA -0.118 4.232 4.350 0.001 0.000 0.198 209 E C 2.036 178.641 176.600 0.008 0.000 1.010 209 E CA 1.805 58.203 56.400 -0.003 0.000 0.825 209 E CB -1.557 28.142 29.700 -0.001 0.000 0.769 209 E HN 0.282 nan 8.360 nan 0.000 0.456 210 T N -0.446 114.119 114.554 0.018 0.000 2.929 210 T HA 0.052 4.403 4.350 0.001 0.000 0.271 210 T C 1.302 176.030 174.700 0.047 0.000 1.085 210 T CA 1.025 63.146 62.100 0.035 0.000 1.125 210 T CB -0.340 68.552 68.868 0.040 0.000 0.874 210 T HN 0.489 nan 8.240 nan 0.000 0.494 211 G N 1.291 110.112 108.800 0.035 0.000 2.225 211 G HA2 0.072 4.033 3.960 0.001 0.000 0.264 211 G HA3 0.072 4.033 3.960 0.001 0.000 0.264 211 G C 0.021 174.983 174.900 0.103 0.000 1.060 211 G CA 0.011 45.141 45.100 0.050 0.000 0.833 211 G HN 0.986 nan 8.290 nan 0.000 0.498 212 A N -1.534 121.332 122.820 0.076 0.000 2.483 212 A HA 0.948 5.268 4.320 0.001 0.000 0.286 212 A C -0.462 177.167 177.584 0.075 0.000 1.207 212 A CA -0.246 51.858 52.037 0.112 0.000 0.764 212 A CB 1.923 20.974 19.000 0.085 0.000 1.341 212 A HN 1.291 nan 8.150 nan 0.000 0.428 213 V N 1.661 121.632 119.914 0.095 0.000 2.325 213 V HA 0.327 4.447 4.120 0.001 0.000 0.280 213 V C -0.564 175.555 176.094 0.042 0.000 1.016 213 V CA -0.324 62.019 62.300 0.071 0.000 0.818 213 V CB 0.774 32.658 31.823 0.103 0.000 1.019 213 V HN 0.837 nan 8.190 nan 0.000 0.434 214 E N 5.272 125.488 120.200 0.027 0.000 2.174 214 E HA 0.655 5.005 4.350 0.001 0.000 0.282 214 E C -1.136 175.469 176.600 0.009 0.000 0.992 214 E CA -0.496 55.911 56.400 0.012 0.000 0.803 214 E CB 2.185 31.889 29.700 0.007 0.000 1.090 214 E HN 0.510 nan 8.360 nan 0.000 0.396 215 L N 2.708 123.932 121.223 0.000 0.000 2.385 215 L HA 0.358 4.698 4.340 0.001 0.000 0.273 215 L C -0.094 176.768 176.870 -0.012 0.000 0.990 215 L CA -0.920 53.919 54.840 -0.001 0.000 0.821 215 L CB 1.867 43.926 42.059 0.000 0.000 1.279 215 L HN 0.348 nan 8.230 nan 0.000 0.412 216 E N 1.754 121.948 120.200 -0.011 0.000 2.167 216 E HA 0.117 4.467 4.350 0.001 0.000 0.284 216 E C 0.320 176.894 176.600 -0.043 0.000 1.016 216 E CA -0.138 56.248 56.400 -0.023 0.000 0.817 216 E CB 1.610 31.301 29.700 -0.015 0.000 1.080 216 E HN 0.690 nan 8.360 nan 0.000 0.397 217 S N 2.528 118.189 115.700 -0.066 0.000 3.243 217 S HA -0.149 4.321 4.470 0.001 0.000 0.333 217 S C -2.341 172.148 174.600 -0.186 0.000 0.913 217 S CA -0.129 58.000 58.200 -0.118 0.000 1.310 217 S CB -1.530 61.597 63.200 -0.121 0.000 0.894 217 S HN 0.240 nan 8.310 nan 0.000 0.498 218 P HA 0.652 nan 4.420 nan 0.000 0.283 218 P C 0.012 177.196 177.300 -0.194 0.000 1.278 218 P CA -0.997 62.038 63.100 -0.109 0.000 0.834 218 P CB 0.365 32.067 31.700 0.002 0.000 1.150 219 F N -0.226 119.723 119.950 -0.002 0.000 2.382 219 F HA 0.409 4.937 4.527 0.001 0.000 0.331 219 F C 0.775 176.575 175.800 0.000 0.000 1.121 219 F CA -0.072 57.928 58.000 -0.000 0.000 1.183 219 F CB 0.230 39.230 39.000 -0.001 0.000 1.207 219 F HN 0.002 nan 8.300 nan 0.000 0.555 220 I N 3.461 124.142 120.570 0.185 0.000 2.418 220 I HA 0.241 4.412 4.170 0.001 0.000 0.287 220 I C -1.027 175.147 176.117 0.095 0.000 1.008 220 I CA -0.491 60.875 61.300 0.110 0.000 1.104 220 I CB 1.620 39.665 38.000 0.075 0.000 1.264 220 I HN 0.335 nan 8.210 nan 0.000 0.438 221 L N 7.728 128.992 121.223 0.067 0.000 2.275 221 L HA 0.536 4.876 4.340 0.001 0.000 0.288 221 L C -1.130 175.757 176.870 0.029 0.000 1.046 221 L CA -0.466 54.398 54.840 0.041 0.000 0.805 221 L CB 1.139 43.213 42.059 0.025 0.000 1.193 221 L HN 0.608 nan 8.230 nan 0.000 0.426 222 L N 6.097 127.333 121.223 0.021 0.000 2.356 222 L HA 0.493 4.834 4.340 0.001 0.000 0.264 222 L C 0.035 176.905 176.870 0.000 0.000 1.029 222 L CA -0.247 54.598 54.840 0.008 0.000 0.897 222 L CB 1.368 43.431 42.059 0.006 0.000 1.256 222 L HN 0.673 nan 8.230 nan 0.000 0.444 223 A N 0.810 123.629 122.820 -0.002 0.000 2.305 223 A HA 0.373 4.693 4.320 0.001 0.000 0.322 223 A C 0.327 177.906 177.584 -0.007 0.000 1.187 223 A CA -0.444 51.591 52.037 -0.002 0.000 0.825 223 A CB 1.205 20.206 19.000 0.002 0.000 1.164 223 A HN 0.684 nan 8.150 nan 0.000 0.498 224 D N 0.678 121.074 120.400 -0.007 0.000 2.305 224 D HA 0.021 4.662 4.640 0.001 0.000 0.206 224 D C 0.806 177.104 176.300 -0.003 0.000 0.974 224 D CA 1.049 55.044 54.000 -0.009 0.000 0.871 224 D CB 0.155 40.950 40.800 -0.010 0.000 0.947 224 D HN 0.689 nan 8.370 nan 0.000 0.516 225 K N -0.610 119.791 120.400 0.001 0.000 2.210 225 K HA 0.442 4.763 4.320 0.001 0.000 0.236 225 K C -0.433 176.173 176.600 0.010 0.000 1.016 225 K CA -0.952 55.339 56.287 0.006 0.000 0.913 225 K CB 1.135 33.638 32.500 0.005 0.000 1.141 225 K HN -0.350 nan 8.250 nan 0.000 0.462 226 K N 0.664 121.072 120.400 0.013 0.000 2.270 226 K HA 0.200 4.521 4.320 0.001 0.000 0.276 226 K C -0.499 176.112 176.600 0.017 0.000 1.023 226 K CA -0.330 55.967 56.287 0.018 0.000 0.955 226 K CB 0.536 33.047 32.500 0.019 0.000 0.975 226 K HN 0.425 nan 8.250 nan 0.000 0.471 227 I N 3.461 124.043 120.570 0.021 0.000 2.347 227 I HA 0.059 4.229 4.170 0.001 0.000 0.283 227 I C 0.874 177.005 176.117 0.023 0.000 1.058 227 I CA 0.053 61.365 61.300 0.021 0.000 1.202 227 I CB 0.185 38.199 38.000 0.023 0.000 1.386 227 I HN 0.725 nan 8.210 nan 0.000 0.475 228 S N 4.310 120.020 115.700 0.018 0.000 2.527 228 S HA 0.130 4.600 4.470 0.001 0.000 0.225 228 S C 0.905 175.513 174.600 0.015 0.000 1.046 228 S CA -0.035 58.175 58.200 0.017 0.000 0.929 228 S CB 0.152 63.359 63.200 0.013 0.000 0.851 228 S HN 0.577 nan 8.310 nan 0.000 0.565 229 N N 1.193 119.899 118.700 0.011 0.000 2.513 229 N HA 0.299 5.040 4.740 0.001 0.000 0.274 229 N C 0.164 175.681 175.510 0.011 0.000 1.189 229 N CA -0.063 52.993 53.050 0.009 0.000 0.975 229 N CB 0.992 39.482 38.487 0.006 0.000 1.157 229 N HN 0.328 nan 8.380 nan 0.000 0.465 230 I N 1.116 121.692 120.570 0.009 0.000 3.956 230 I HA 0.203 4.374 4.170 0.001 0.000 0.333 230 I C 2.150 178.271 176.117 0.006 0.000 1.302 230 I CA -0.095 61.211 61.300 0.010 0.000 1.122 230 I CB -0.149 37.859 38.000 0.012 0.000 1.013 230 I HN 0.455 nan 8.210 nan 0.000 0.405 231 R N 2.026 122.529 120.500 0.004 0.000 2.090 231 R HA -0.112 4.229 4.340 0.001 0.000 0.228 231 R C 1.387 177.686 176.300 -0.001 0.000 1.110 231 R CA 1.472 57.572 56.100 0.001 0.000 0.973 231 R CB 0.110 30.410 30.300 0.000 0.000 0.869 231 R HN 0.387 nan 8.270 nan 0.000 0.440 232 E N -0.160 120.040 120.200 -0.000 0.000 2.516 232 E HA -0.111 4.240 4.350 0.001 0.000 0.199 232 E C 1.360 177.957 176.600 -0.005 0.000 1.069 232 E CA 0.548 56.947 56.400 -0.003 0.000 0.876 232 E CB 0.004 29.703 29.700 -0.001 0.000 0.843 232 E HN 0.205 nan 8.360 nan 0.000 0.530 233 M N -0.096 119.502 119.600 -0.003 0.000 2.357 233 M HA 0.101 4.581 4.480 0.001 0.000 0.266 233 M C 1.525 177.817 176.300 -0.012 0.000 1.095 233 M CA 0.996 56.293 55.300 -0.005 0.000 1.156 233 M CB 0.167 32.769 32.600 0.003 0.000 1.365 233 M HN 0.112 nan 8.290 nan 0.000 0.447 234 L N 0.408 121.624 121.223 -0.010 0.000 2.079 234 L HA -0.175 4.165 4.340 0.001 0.000 0.210 234 L C -0.591 176.265 176.870 -0.022 0.000 1.081 234 L CA 1.163 55.995 54.840 -0.014 0.000 0.752 234 L CB -2.349 39.704 42.059 -0.010 0.000 0.896 234 L HN 0.246 nan 8.230 nan 0.000 0.433 235 P HA -0.149 nan 4.420 nan 0.000 0.216 235 P C 1.701 178.974 177.300 -0.044 0.000 1.150 235 P CA 1.931 65.013 63.100 -0.029 0.000 0.837 235 P CB -0.097 31.588 31.700 -0.024 0.000 0.786 236 V N -3.188 116.697 119.914 -0.048 0.000 2.575 236 V HA 0.013 4.134 4.120 0.001 0.000 0.242 236 V C 2.396 178.439 176.094 -0.084 0.000 1.045 236 V CA 0.695 62.951 62.300 -0.073 0.000 1.065 236 V CB -1.800 29.984 31.823 -0.064 0.000 0.717 236 V HN -0.104 nan 8.190 nan 0.000 0.467 237 L N 0.881 122.072 121.223 -0.053 0.000 2.362 237 L HA 0.052 4.392 4.340 0.001 0.000 0.219 237 L C 2.299 179.143 176.870 -0.044 0.000 1.134 237 L CA 1.966 56.780 54.840 -0.043 0.000 0.807 237 L CB -0.735 41.313 42.059 -0.018 0.000 0.927 237 L HN 0.554 nan 8.230 nan 0.000 0.447 238 E N -1.306 118.865 120.200 -0.047 0.000 2.364 238 E HA 0.035 4.385 4.350 0.001 0.000 0.196 238 E C 1.937 178.501 176.600 -0.060 0.000 0.990 238 E CA 0.628 57.003 56.400 -0.042 0.000 0.886 238 E CB 0.322 30.004 29.700 -0.030 0.000 0.866 238 E HN 0.523 nan 8.360 nan 0.000 0.493 239 A N 0.903 123.670 122.820 -0.089 0.000 2.016 239 A HA -0.063 4.258 4.320 0.001 0.000 0.217 239 A C 2.157 179.634 177.584 -0.179 0.000 1.162 239 A CA 1.188 53.154 52.037 -0.120 0.000 0.662 239 A CB -0.274 18.645 19.000 -0.134 0.000 0.812 239 A HN 0.219 nan 8.150 nan 0.000 0.450 240 V N -3.808 115.983 119.914 -0.205 0.000 3.608 240 V HA 0.403 4.524 4.120 0.001 0.000 0.269 240 V C 2.034 178.081 176.094 -0.078 0.000 1.245 240 V CA 1.037 63.194 62.300 -0.239 0.000 1.138 240 V CB -0.536 31.111 31.823 -0.294 0.000 0.841 240 V HN 0.392 nan 8.190 nan 0.000 0.451 241 A N 1.141 123.929 122.820 -0.054 0.000 1.897 241 A HA 0.006 4.326 4.320 0.001 0.000 0.215 241 A C 2.177 179.756 177.584 -0.008 0.000 1.181 241 A CA 1.588 53.615 52.037 -0.017 0.000 0.620 241 A CB -0.360 18.631 19.000 -0.015 0.000 0.821 241 A HN 0.555 nan 8.150 nan 0.000 0.443 242 K N -0.334 120.053 120.400 -0.022 0.000 2.444 242 K HA 0.289 4.609 4.320 0.001 0.000 0.193 242 K C 1.218 177.819 176.600 0.002 0.000 1.024 242 K CA 0.461 56.742 56.287 -0.010 0.000 1.077 242 K CB 0.144 32.634 32.500 -0.017 0.000 0.833 242 K HN 0.400 nan 8.250 nan 0.000 0.517 243 A N 0.273 123.096 122.820 0.004 0.000 2.348 243 A HA 0.288 4.609 4.320 0.001 0.000 0.224 243 A C 1.515 179.168 177.584 0.115 0.000 1.227 243 A CA 0.602 52.677 52.037 0.063 0.000 0.885 243 A CB -0.112 18.914 19.000 0.043 0.000 0.933 243 A HN 0.352 nan 8.150 nan 0.000 0.506 244 G N -0.074 108.773 108.800 0.077 0.000 2.328 244 G HA2 -0.328 3.633 3.960 0.001 0.000 0.256 244 G HA3 -0.328 3.633 3.960 0.001 0.000 0.256 244 G C 0.461 175.419 174.900 0.097 0.000 1.014 244 G CA 0.949 46.093 45.100 0.073 0.000 0.620 244 G HN 0.605 nan 8.290 nan 0.000 0.530 245 K N 1.336 121.839 120.400 0.172 0.000 2.098 245 K HA 0.517 4.838 4.320 0.001 0.000 0.257 245 K C -2.223 174.487 176.600 0.183 0.000 0.999 245 K CA -1.723 54.675 56.287 0.185 0.000 0.924 245 K CB 0.960 33.611 32.500 0.252 0.000 1.028 245 K HN 0.094 nan 8.250 nan 0.000 0.466 246 P HA 0.175 nan 4.420 nan 0.000 0.277 246 P C -1.106 176.291 177.300 0.161 0.000 1.276 246 P CA -0.579 62.586 63.100 0.108 0.000 0.788 246 P CB 0.528 32.264 31.700 0.060 0.000 1.114 247 L N 0.429 121.713 121.223 0.101 0.000 2.493 247 L HA 0.433 4.773 4.340 0.001 0.000 0.265 247 L C -1.851 175.039 176.870 0.034 0.000 0.954 247 L CA -0.751 54.153 54.840 0.107 0.000 0.844 247 L CB 1.628 43.736 42.059 0.082 0.000 1.302 247 L HN 0.279 nan 8.230 nan 0.000 0.405 248 L N 5.781 127.029 121.223 0.042 0.000 2.307 248 L HA 0.561 4.901 4.340 0.001 0.000 0.284 248 L C -0.784 176.092 176.870 0.011 0.000 1.023 248 L CA -0.530 54.312 54.840 0.003 0.000 0.810 248 L CB 1.780 43.852 42.059 0.023 0.000 1.231 248 L HN 0.620 nan 8.230 nan 0.000 0.423 249 I N 6.125 126.682 120.570 -0.021 0.000 2.355 249 I HA 0.377 4.547 4.170 0.001 0.000 0.288 249 I C -0.333 175.794 176.117 0.018 0.000 0.999 249 I CA -0.385 60.913 61.300 -0.004 0.000 1.163 249 I CB 1.654 39.641 38.000 -0.021 0.000 1.316 249 I HN 0.409 nan 8.210 nan 0.000 0.454 250 I N 6.113 126.702 120.570 0.031 0.000 2.355 250 I HA 0.767 4.938 4.170 0.001 0.000 0.288 250 I C 0.096 176.216 176.117 0.005 0.000 0.999 250 I CA -0.245 61.073 61.300 0.029 0.000 1.163 250 I CB 1.503 39.522 38.000 0.030 0.000 1.316 250 I HN 0.656 nan 8.210 nan 0.000 0.454 251 A N 4.665 127.489 122.820 0.006 0.000 2.564 251 A HA 0.473 4.794 4.320 0.001 0.000 0.288 251 A C 0.651 178.238 177.584 0.004 0.000 1.164 251 A CA -0.531 51.507 52.037 0.003 0.000 0.712 251 A CB 1.385 20.392 19.000 0.011 0.000 1.303 251 A HN 0.690 nan 8.150 nan 0.000 0.418 252 E N -0.280 119.924 120.200 0.006 0.000 2.070 252 E HA -0.182 4.169 4.350 0.001 0.000 0.197 252 E C -0.199 176.417 176.600 0.026 0.000 1.004 252 E CA 1.865 58.274 56.400 0.015 0.000 0.805 252 E CB 0.159 29.869 29.700 0.017 0.000 0.744 252 E HN 0.575 nan 8.360 nan 0.000 0.451 253 D N -2.293 118.125 120.400 0.029 0.000 2.738 253 D HA 0.202 4.843 4.640 0.001 0.000 0.308 253 D C -1.720 174.606 176.300 0.043 0.000 1.311 253 D CA -0.460 53.564 54.000 0.040 0.000 0.799 253 D CB 2.074 42.898 40.800 0.039 0.000 1.332 253 D HN -0.226 nan 8.370 nan 0.000 0.441 254 V N 1.792 121.740 119.914 0.056 0.000 2.447 254 V HA 0.305 4.426 4.120 0.001 0.000 0.292 254 V C -0.220 175.909 176.094 0.059 0.000 1.021 254 V CA -0.661 61.674 62.300 0.059 0.000 0.850 254 V CB 1.511 33.381 31.823 0.078 0.000 1.005 254 V HN 0.409 nan 8.190 nan 0.000 0.426 255 E N 2.488 122.713 120.200 0.042 0.000 2.349 255 E HA 0.471 4.821 4.350 0.001 0.000 0.265 255 E C 1.487 178.104 176.600 0.028 0.000 1.064 255 E CA 0.799 57.219 56.400 0.032 0.000 0.886 255 E CB 1.465 31.178 29.700 0.023 0.000 1.036 255 E HN 0.685 nan 8.360 nan 0.000 0.413 256 G N 2.307 111.118 108.800 0.018 0.000 2.656 256 G HA2 -0.441 3.519 3.960 0.001 0.000 0.223 256 G HA3 -0.441 3.519 3.960 0.001 0.000 0.223 256 G C 1.304 176.205 174.900 0.002 0.000 1.130 256 G CA 1.534 46.637 45.100 0.004 0.000 0.758 256 G HN 0.706 nan 8.290 nan 0.000 0.608 257 E N 0.318 120.522 120.200 0.006 0.000 2.051 257 E HA -0.036 4.315 4.350 0.001 0.000 0.192 257 E C 2.763 179.369 176.600 0.011 0.000 0.991 257 E CA 1.178 57.580 56.400 0.005 0.000 0.799 257 E CB -0.255 29.448 29.700 0.006 0.000 0.748 257 E HN 0.419 nan 8.360 nan 0.000 0.449 258 A N 0.646 123.478 122.820 0.021 0.000 2.021 258 A HA 0.017 4.338 4.320 0.001 0.000 0.216 258 A C 2.053 179.667 177.584 0.051 0.000 1.163 258 A CA 0.370 52.426 52.037 0.031 0.000 0.676 258 A CB -0.372 18.648 19.000 0.032 0.000 0.818 258 A HN 0.374 nan 8.150 nan 0.000 0.453 259 L N -0.258 120.998 121.223 0.055 0.000 1.988 259 L HA -0.077 4.264 4.340 0.001 0.000 0.207 259 L C 2.714 179.607 176.870 0.039 0.000 1.071 259 L CA 1.825 56.717 54.840 0.086 0.000 0.744 259 L CB -0.383 41.722 42.059 0.077 0.000 0.893 259 L HN 0.312 nan 8.230 nan 0.000 0.433 260 A N -0.834 121.977 122.820 -0.014 0.000 2.019 260 A HA -0.214 4.107 4.320 0.001 0.000 0.219 260 A C 2.280 179.840 177.584 -0.040 0.000 1.164 260 A CA 2.157 54.155 52.037 -0.064 0.000 0.644 260 A CB -1.223 17.735 19.000 -0.070 0.000 0.805 260 A HN 0.675 nan 8.150 nan 0.000 0.449 261 T N -1.610 112.942 114.554 -0.003 0.000 2.812 261 T HA 0.011 4.361 4.350 0.001 0.000 0.264 261 T C 1.820 176.541 174.700 0.034 0.000 1.042 261 T CA 1.206 63.312 62.100 0.009 0.000 1.140 261 T CB -0.451 68.426 68.868 0.014 0.000 0.870 261 T HN 0.294 nan 8.240 nan 0.000 0.445 262 L N 0.629 121.895 121.223 0.071 0.000 2.093 262 L HA -0.010 4.331 4.340 0.001 0.000 0.208 262 L C 2.904 179.874 176.870 0.167 0.000 1.085 262 L CA 0.602 55.526 54.840 0.139 0.000 0.755 262 L CB -0.569 41.612 42.059 0.204 0.000 0.904 262 L HN 0.160 nan 8.230 nan 0.000 0.435 263 V N -0.308 119.641 119.914 0.059 0.000 2.255 263 V HA -0.260 3.861 4.120 0.001 0.000 0.247 263 V C 2.274 178.337 176.094 -0.052 0.000 1.051 263 V CA 1.811 64.038 62.300 -0.121 0.000 1.018 263 V CB -0.230 31.402 31.823 -0.318 0.000 0.641 263 V HN 0.251 nan 8.190 nan 0.000 0.445 264 V N 0.108 119.998 119.914 -0.039 0.000 3.217 264 V HA -0.095 4.025 4.120 0.001 0.000 0.264 264 V C 2.035 178.143 176.094 0.023 0.000 1.135 264 V CA 1.443 63.739 62.300 -0.007 0.000 1.142 264 V CB -0.966 30.844 31.823 -0.021 0.000 0.754 264 V HN 0.598 nan 8.190 nan 0.000 0.484 265 N N 0.824 119.548 118.700 0.041 0.000 2.494 265 N HA -0.111 4.630 4.740 0.001 0.000 0.182 265 N C 1.841 177.392 175.510 0.070 0.000 1.076 265 N CA 1.636 54.718 53.050 0.052 0.000 0.908 265 N CB 0.384 38.906 38.487 0.058 0.000 0.967 265 N HN 0.738 nan 8.380 nan 0.000 0.449 266 T N -1.493 113.118 114.554 0.095 0.000 3.082 266 T HA 0.092 4.443 4.350 0.001 0.000 0.235 266 T C 1.149 175.891 174.700 0.071 0.000 0.991 266 T CA -0.198 61.966 62.100 0.106 0.000 1.220 266 T CB -0.302 68.681 68.868 0.191 0.000 0.909 266 T HN 0.098 nan 8.240 nan 0.000 0.424 267 M N 1.404 121.042 119.600 0.064 0.000 2.292 267 M HA 0.659 5.140 4.480 0.001 0.000 0.342 267 M C 0.443 176.762 176.300 0.031 0.000 1.538 267 M CA -0.368 54.955 55.300 0.038 0.000 1.163 267 M CB 0.562 33.183 32.600 0.035 0.000 1.823 267 M HN 0.225 nan 8.290 nan 0.000 0.462 268 R N 0.813 121.325 120.500 0.020 0.000 3.584 268 R HA -0.087 4.254 4.340 0.001 0.000 0.488 268 R C -0.236 176.074 176.300 0.017 0.000 0.869 268 R CA 1.162 57.271 56.100 0.014 0.000 1.325 268 R CB -2.149 28.159 30.300 0.013 0.000 2.015 268 R HN 1.146 nan 8.270 nan 0.000 0.489 269 G N -1.140 107.675 108.800 0.025 0.000 2.788 269 G HA2 0.627 4.587 3.960 0.001 0.000 0.293 269 G HA3 0.627 4.587 3.960 0.001 0.000 0.293 269 G C 1.202 176.119 174.900 0.028 0.000 1.305 269 G CA -0.350 44.766 45.100 0.027 0.000 1.005 269 G HN -0.000 nan 8.290 nan 0.000 0.496 270 I N -0.476 120.110 120.570 0.026 0.000 2.070 270 I HA -0.066 4.105 4.170 0.001 0.000 0.224 270 I C 0.799 176.934 176.117 0.030 0.000 1.049 270 I CA 0.789 62.103 61.300 0.023 0.000 1.334 270 I CB -0.599 37.411 38.000 0.017 0.000 1.095 270 I HN 0.005 nan 8.210 nan 0.000 0.391 271 V N 1.986 121.920 119.914 0.033 0.000 2.455 271 V HA 0.089 4.210 4.120 0.001 0.000 0.273 271 V C 0.115 176.242 176.094 0.054 0.000 1.045 271 V CA -0.473 61.850 62.300 0.039 0.000 0.976 271 V CB 0.448 32.288 31.823 0.030 0.000 0.993 271 V HN 0.223 nan 8.190 nan 0.000 0.475 272 K N 4.243 124.678 120.400 0.057 0.000 2.273 272 K HA 0.506 4.826 4.320 0.001 0.000 0.287 272 K C -0.400 176.239 176.600 0.065 0.000 1.089 272 K CA -0.192 56.138 56.287 0.073 0.000 0.909 272 K CB 0.900 33.438 32.500 0.063 0.000 1.123 272 K HN 0.730 nan 8.250 nan 0.000 0.473 273 V N -0.254 119.703 119.914 0.072 0.000 3.126 273 V HA 0.977 5.098 4.120 0.001 0.000 0.314 273 V C -0.938 175.064 176.094 -0.153 0.000 1.138 273 V CA -1.021 61.275 62.300 -0.006 0.000 1.034 273 V CB 1.867 33.686 31.823 -0.006 0.000 1.075 273 V HN 0.656 nan 8.190 nan 0.000 0.442 274 A N 0.892 123.493 122.820 -0.364 0.000 2.587 274 A HA 1.075 5.395 4.320 0.001 0.000 0.293 274 A C -0.471 176.746 177.584 -0.613 0.000 1.087 274 A CA -0.350 51.125 52.037 -0.936 0.000 0.692 274 A CB 1.709 20.362 19.000 -0.577 0.000 1.291 274 A HN 2.580 nan 8.150 nan 0.000 0.407 275 A N 0.082 122.484 122.820 -0.697 0.000 2.449 275 A HA 0.831 5.151 4.320 0.001 0.000 0.302 275 A C -0.705 176.853 177.584 -0.043 0.000 1.048 275 A CA -0.071 51.832 52.037 -0.224 0.000 0.708 275 A CB 1.411 20.340 19.000 -0.117 0.000 1.274 275 A HN 2.274 nan 8.150 nan 0.000 0.410 276 V N -0.916 119.023 119.914 0.041 0.000 2.925 276 V HA 0.598 4.719 4.120 0.001 0.000 0.311 276 V C -0.397 175.763 176.094 0.110 0.000 1.104 276 V CA -1.268 61.101 62.300 0.116 0.000 0.954 276 V CB 1.540 33.469 31.823 0.177 0.000 1.022 276 V HN 0.863 nan 8.190 nan 0.000 0.427 277 K N 2.041 122.505 120.400 0.106 0.000 2.436 277 K HA 0.543 4.864 4.320 0.001 0.000 0.275 277 K C 0.557 177.173 176.600 0.027 0.000 0.999 277 K CA 0.421 56.747 56.287 0.066 0.000 0.980 277 K CB 1.095 33.634 32.500 0.064 0.000 0.919 277 K HN 1.108 nan 8.250 nan 0.000 0.484 278 A N 5.097 127.893 122.820 -0.041 0.000 2.445 278 A HA 0.197 4.518 4.320 0.001 0.000 0.242 278 A C -2.013 175.461 177.584 -0.183 0.000 1.075 278 A CA -1.083 50.854 52.037 -0.167 0.000 0.777 278 A CB -0.330 18.595 19.000 -0.126 0.000 1.013 278 A HN 0.465 nan 8.150 nan 0.000 0.493 279 P HA 0.381 nan 4.420 nan 0.000 0.272 279 P C 0.756 178.012 177.300 -0.073 0.000 1.223 279 P CA 1.360 64.326 63.100 -0.223 0.000 0.784 279 P CB 0.511 31.973 31.700 -0.396 0.000 0.923 280 G N 1.481 110.305 108.800 0.040 0.000 2.645 280 G HA2 -0.054 3.906 3.960 0.001 0.000 0.246 280 G HA3 -0.054 3.906 3.960 0.001 0.000 0.246 280 G C -0.876 174.169 174.900 0.241 0.000 1.322 280 G CA 0.118 45.298 45.100 0.133 0.000 0.898 280 G HN 0.778 nan 8.290 nan 0.000 0.573 281 F N -2.298 117.649 119.950 -0.005 0.000 2.654 281 F HA 0.745 5.273 4.527 0.001 0.000 0.308 281 F C 0.986 176.788 175.800 0.004 0.000 1.108 281 F CA 0.393 58.393 58.000 -0.001 0.000 0.957 281 F CB 1.082 40.088 39.000 0.010 0.000 1.309 281 F HN 2.451 nan 8.300 nan 0.000 0.446 282 G N 1.916 110.699 108.800 -0.029 0.000 2.574 282 G HA2 -0.326 3.634 3.960 0.001 0.000 0.301 282 G HA3 -0.326 3.634 3.960 0.001 0.000 0.301 282 G C 0.460 175.275 174.900 -0.142 0.000 1.166 282 G CA 0.645 45.676 45.100 -0.114 0.000 0.971 282 G HN 0.847 nan 8.290 nan 0.000 0.542 283 D N 0.570 120.854 120.400 -0.193 0.000 2.277 283 D HA 0.048 4.689 4.640 0.001 0.000 0.208 283 D C 2.507 178.725 176.300 -0.137 0.000 0.962 283 D CA 0.966 54.887 54.000 -0.132 0.000 0.865 283 D CB -0.027 40.707 40.800 -0.110 0.000 0.939 283 D HN 0.253 nan 8.370 nan 0.000 0.510 284 R N 1.454 121.835 120.500 -0.198 0.000 2.061 284 R HA -0.060 4.280 4.340 0.001 0.000 0.230 284 R C 2.304 178.535 176.300 -0.114 0.000 1.140 284 R CA 1.298 57.304 56.100 -0.156 0.000 0.940 284 R CB -0.244 29.944 30.300 -0.187 0.000 0.839 284 R HN 0.192 nan 8.270 nan 0.000 0.429 285 R N 0.594 121.030 120.500 -0.107 0.000 2.241 285 R HA -0.055 4.286 4.340 0.001 0.000 0.224 285 R C 1.647 177.901 176.300 -0.076 0.000 1.101 285 R CA 1.135 57.185 56.100 -0.085 0.000 0.995 285 R CB -0.330 29.936 30.300 -0.055 0.000 0.870 285 R HN 0.062 nan 8.270 nan 0.000 0.463 286 K N 1.292 121.651 120.400 -0.069 0.000 1.991 286 K HA -0.089 4.232 4.320 0.001 0.000 0.212 286 K C 2.254 178.822 176.600 -0.054 0.000 1.049 286 K CA 1.808 58.062 56.287 -0.054 0.000 0.932 286 K CB -0.343 32.127 32.500 -0.050 0.000 0.717 286 K HN 0.334 nan 8.250 nan 0.000 0.441 287 A N 0.974 123.758 122.820 -0.059 0.000 2.021 287 A HA 0.011 4.332 4.320 0.001 0.000 0.216 287 A C 2.125 179.674 177.584 -0.058 0.000 1.163 287 A CA 0.692 52.697 52.037 -0.052 0.000 0.676 287 A CB -0.230 18.740 19.000 -0.050 0.000 0.818 287 A HN 0.153 nan 8.150 nan 0.000 0.453 288 M N -0.999 118.556 119.600 -0.074 0.000 2.229 288 M HA -0.081 4.399 4.480 0.001 0.000 0.264 288 M C 2.056 178.292 176.300 -0.106 0.000 1.063 288 M CA 1.182 56.429 55.300 -0.088 0.000 1.114 288 M CB -0.334 32.202 32.600 -0.107 0.000 1.387 288 M HN 0.498 nan 8.290 nan 0.000 0.420 289 L N 0.182 121.343 121.223 -0.102 0.000 2.179 289 L HA -0.135 4.206 4.340 0.001 0.000 0.208 289 L C 2.290 179.124 176.870 -0.059 0.000 1.096 289 L CA 1.631 56.412 54.840 -0.099 0.000 0.779 289 L CB -0.563 41.444 42.059 -0.086 0.000 0.922 289 L HN 0.194 nan 8.230 nan 0.000 0.443 290 Q N -0.227 119.545 119.800 -0.046 0.000 2.170 290 Q HA -0.208 4.133 4.340 0.001 0.000 0.203 290 Q C 1.711 177.698 176.000 -0.023 0.000 0.976 290 Q CA 1.882 57.668 55.803 -0.029 0.000 0.858 290 Q CB -0.208 28.514 28.738 -0.027 0.000 0.907 290 Q HN 0.512 nan 8.270 nan 0.000 0.433 291 D N -0.215 120.168 120.400 -0.028 0.000 2.116 291 D HA -0.183 4.458 4.640 0.001 0.000 0.193 291 D C 1.752 178.051 176.300 -0.002 0.000 0.998 291 D CA 1.501 55.491 54.000 -0.016 0.000 0.836 291 D CB -0.214 40.574 40.800 -0.020 0.000 0.951 291 D HN 0.361 nan 8.370 nan 0.000 0.449 292 I N 0.977 121.543 120.570 -0.006 0.000 2.226 292 I HA -0.254 3.917 4.170 0.001 0.000 0.245 292 I C 2.464 178.592 176.117 0.019 0.000 1.100 292 I CA 1.061 62.374 61.300 0.021 0.000 1.374 292 I CB -0.240 37.772 38.000 0.019 0.000 1.057 292 I HN -0.072 nan 8.210 nan 0.000 0.413 293 A N 0.506 123.329 122.820 0.005 0.000 1.892 293 A HA -0.263 4.058 4.320 0.001 0.000 0.218 293 A C 2.408 179.998 177.584 0.010 0.000 1.188 293 A CA 2.760 54.803 52.037 0.009 0.000 0.631 293 A CB -1.311 17.690 19.000 0.001 0.000 0.822 293 A HN 0.430 nan 8.150 nan 0.000 0.447 294 T N -0.004 114.553 114.554 0.005 0.000 2.684 294 T HA -0.161 4.190 4.350 0.001 0.000 0.267 294 T C 1.833 176.538 174.700 0.008 0.000 1.036 294 T CA 1.545 63.648 62.100 0.005 0.000 1.148 294 T CB -0.425 68.443 68.868 0.000 0.000 0.863 294 T HN 0.321 nan 8.240 nan 0.000 0.436 295 L N 1.835 123.065 121.223 0.012 0.000 2.083 295 L HA -0.054 4.287 4.340 0.001 0.000 0.209 295 L C 2.498 179.376 176.870 0.012 0.000 1.083 295 L CA 2.149 56.997 54.840 0.014 0.000 0.752 295 L CB -1.030 41.043 42.059 0.024 0.000 0.899 295 L HN 0.455 nan 8.230 nan 0.000 0.433 296 T N -3.935 110.629 114.554 0.017 0.000 3.065 296 T HA 0.302 4.653 4.350 0.001 0.000 0.252 296 T C 1.292 176.001 174.700 0.014 0.000 1.099 296 T CA 0.247 62.356 62.100 0.015 0.000 1.063 296 T CB -0.368 68.516 68.868 0.027 0.000 0.948 296 T HN 0.649 nan 8.240 nan 0.000 0.506 297 G N 0.594 109.403 108.800 0.015 0.000 2.298 297 G HA2 0.127 4.087 3.960 0.001 0.000 0.287 297 G HA3 0.127 4.087 3.960 0.001 0.000 0.287 297 G C 0.238 175.154 174.900 0.026 0.000 1.075 297 G CA -0.184 44.926 45.100 0.016 0.000 0.960 297 G HN 1.035 nan 8.290 nan 0.000 0.502 298 G N -1.473 107.343 108.800 0.027 0.000 3.013 298 G HA2 0.891 4.852 3.960 0.001 0.000 0.278 298 G HA3 0.891 4.852 3.960 0.001 0.000 0.278 298 G C -0.380 174.534 174.900 0.022 0.000 1.353 298 G CA 0.183 45.303 45.100 0.034 0.000 1.043 298 G HN 0.746 nan 8.290 nan 0.000 0.523 299 T N -0.058 114.509 114.554 0.021 0.000 2.856 299 T HA 0.520 4.870 4.350 0.001 0.000 0.283 299 T C 0.064 174.769 174.700 0.008 0.000 1.008 299 T CA -0.445 61.662 62.100 0.012 0.000 0.997 299 T CB 1.621 70.495 68.868 0.010 0.000 0.992 299 T HN 0.896 nan 8.240 nan 0.000 0.454 300 V N 0.710 120.624 119.914 0.001 0.000 2.432 300 V HA 0.514 4.635 4.120 0.001 0.000 0.271 300 V C -0.139 175.953 176.094 -0.003 0.000 1.046 300 V CA -0.789 61.508 62.300 -0.004 0.000 0.945 300 V CB -0.160 31.657 31.823 -0.011 0.000 0.992 300 V HN 0.746 nan 8.190 nan 0.000 0.471 301 I N 5.063 125.632 120.570 -0.003 0.000 2.260 301 I HA 0.234 4.405 4.170 0.001 0.000 0.297 301 I C 0.845 176.959 176.117 -0.005 0.000 1.143 301 I CA 1.054 62.352 61.300 -0.003 0.000 1.271 301 I CB 0.063 38.062 38.000 -0.002 0.000 1.461 301 I HN 0.736 nan 8.210 nan 0.000 0.530 302 S N 4.616 120.313 115.700 -0.005 0.000 2.616 302 S HA 0.306 4.777 4.470 0.001 0.000 0.277 302 S C 1.053 175.650 174.600 -0.005 0.000 1.234 302 S CA -0.797 57.399 58.200 -0.006 0.000 1.028 302 S CB 1.667 64.862 63.200 -0.008 0.000 0.988 302 S HN 0.482 nan 8.310 nan 0.000 0.522 303 E N 1.502 121.699 120.200 -0.004 0.000 2.190 303 E HA -0.036 4.315 4.350 0.001 0.000 0.191 303 E C 1.070 177.668 176.600 -0.003 0.000 0.978 303 E CA 0.728 57.126 56.400 -0.003 0.000 0.839 303 E CB -0.102 29.597 29.700 -0.001 0.000 0.787 303 E HN 0.618 nan 8.360 nan 0.000 0.473 304 E N 0.280 120.478 120.200 -0.004 0.000 2.516 304 E HA 0.007 4.358 4.350 0.001 0.000 0.199 304 E C 1.486 178.084 176.600 -0.004 0.000 1.069 304 E CA 0.343 56.741 56.400 -0.004 0.000 0.876 304 E CB 0.007 29.703 29.700 -0.006 0.000 0.843 304 E HN 0.289 nan 8.360 nan 0.000 0.530 305 I N -1.963 118.605 120.570 -0.004 0.000 4.035 305 I HA 0.267 4.437 4.170 0.001 0.000 0.321 305 I C 1.548 177.663 176.117 -0.003 0.000 1.289 305 I CA 0.379 61.676 61.300 -0.004 0.000 1.236 305 I CB 0.603 38.600 38.000 -0.004 0.000 1.076 305 I HN 0.225 nan 8.210 nan 0.000 0.418 306 G N 1.432 110.230 108.800 -0.003 0.000 2.254 306 G HA2 -0.261 3.700 3.960 0.001 0.000 0.225 306 G HA3 -0.261 3.700 3.960 0.001 0.000 0.225 306 G C 0.457 175.355 174.900 -0.002 0.000 1.003 306 G CA -0.322 44.776 45.100 -0.002 0.000 0.622 306 G HN 0.218 nan 8.290 nan 0.000 0.507 307 M N 1.464 121.062 119.600 -0.003 0.000 2.286 307 M HA 0.299 4.780 4.480 0.001 0.000 0.365 307 M C 0.530 176.828 176.300 -0.003 0.000 1.443 307 M CA 1.097 56.395 55.300 -0.003 0.000 0.951 307 M CB 0.316 32.914 32.600 -0.003 0.000 1.961 307 M HN 0.348 nan 8.290 nan 0.000 0.468 308 E N 2.042 122.240 120.200 -0.003 0.000 2.281 308 E HA 0.335 4.686 4.350 0.001 0.000 0.262 308 E C 0.291 176.889 176.600 -0.004 0.000 0.933 308 E CA -0.658 55.740 56.400 -0.003 0.000 0.809 308 E CB 1.573 31.272 29.700 -0.003 0.000 1.242 308 E HN 0.703 nan 8.360 nan 0.000 0.418 309 L N 1.313 122.534 121.223 -0.004 0.000 2.131 309 L HA -0.156 4.184 4.340 0.001 0.000 0.210 309 L C 1.995 178.859 176.870 -0.009 0.000 1.092 309 L CA 1.167 56.004 54.840 -0.006 0.000 0.759 309 L CB -0.269 41.788 42.059 -0.004 0.000 0.903 309 L HN 0.595 nan 8.230 nan 0.000 0.435 310 E N 0.437 120.633 120.200 -0.008 0.000 2.153 310 E HA -0.188 4.162 4.350 0.001 0.000 0.194 310 E C 0.753 177.346 176.600 -0.011 0.000 0.988 310 E CA 0.935 57.329 56.400 -0.010 0.000 0.811 310 E CB -0.007 29.689 29.700 -0.007 0.000 0.746 310 E HN 0.300 nan 8.360 nan 0.000 0.466 311 K N 0.723 121.117 120.400 -0.010 0.000 2.997 311 K HA 0.320 4.641 4.320 0.001 0.000 0.249 311 K C -0.963 175.631 176.600 -0.011 0.000 1.284 311 K CA -0.201 56.080 56.287 -0.010 0.000 1.245 311 K CB 1.302 33.798 32.500 -0.007 0.000 1.670 311 K HN 0.022 nan 8.250 nan 0.000 0.385 312 A N 0.201 123.012 122.820 -0.015 0.000 2.486 312 A HA 0.690 5.010 4.320 0.001 0.000 0.300 312 A C -0.414 177.153 177.584 -0.028 0.000 1.048 312 A CA -0.690 51.337 52.037 -0.017 0.000 0.696 312 A CB 1.239 20.230 19.000 -0.015 0.000 1.278 312 A HN 0.251 nan 8.150 nan 0.000 0.405 313 T N 1.244 115.781 114.554 -0.028 0.000 2.841 313 T HA 0.470 4.821 4.350 0.001 0.000 0.276 313 T C 1.298 175.963 174.700 -0.057 0.000 1.003 313 T CA -0.553 61.521 62.100 -0.042 0.000 0.995 313 T CB 0.581 69.432 68.868 -0.028 0.000 1.260 313 T HN 0.365 nan 8.240 nan 0.000 0.581 314 L N 0.919 122.089 121.223 -0.088 0.000 2.042 314 L HA -0.116 4.225 4.340 0.001 0.000 0.210 314 L C 2.821 179.695 176.870 0.008 0.000 1.076 314 L CA 1.671 56.440 54.840 -0.118 0.000 0.749 314 L CB -1.048 40.913 42.059 -0.164 0.000 0.893 314 L HN 0.848 nan 8.230 nan 0.000 0.432 315 E N -0.200 120.010 120.200 0.017 0.000 2.171 315 E HA -0.281 4.069 4.350 0.001 0.000 0.197 315 E C 1.060 177.685 176.600 0.042 0.000 0.997 315 E CA 1.703 58.128 56.400 0.041 0.000 0.810 315 E CB -0.514 29.200 29.700 0.023 0.000 0.738 315 E HN 0.563 nan 8.360 nan 0.000 0.467 316 D N 0.394 120.809 120.400 0.026 0.000 2.317 316 D HA 0.024 4.665 4.640 0.001 0.000 0.211 316 D C 0.413 176.738 176.300 0.042 0.000 0.966 316 D CA 0.351 54.366 54.000 0.025 0.000 0.876 316 D CB 0.096 40.902 40.800 0.009 0.000 0.927 316 D HN 0.133 nan 8.370 nan 0.000 0.519 317 L N 0.484 121.748 121.223 0.069 0.000 2.439 317 L HA 0.384 4.724 4.340 0.001 0.000 0.261 317 L C 1.306 178.256 176.870 0.132 0.000 1.153 317 L CA -0.238 54.668 54.840 0.110 0.000 0.808 317 L CB 1.050 43.205 42.059 0.159 0.000 1.126 317 L HN -0.164 nan 8.230 nan 0.000 0.460 318 G N 0.555 109.422 108.800 0.112 0.000 2.522 318 G HA2 0.609 4.570 3.960 0.001 0.000 0.304 318 G HA3 0.609 4.570 3.960 0.001 0.000 0.304 318 G C -1.059 173.875 174.900 0.056 0.000 1.210 318 G CA -0.282 44.862 45.100 0.073 0.000 0.960 318 G HN 0.513 nan 8.290 nan 0.000 0.497 319 Q N -1.529 118.266 119.800 -0.009 0.000 2.391 319 Q HA 0.584 4.925 4.340 0.001 0.000 0.279 319 Q C -1.009 174.945 176.000 -0.075 0.000 1.028 319 Q CA -0.735 55.010 55.803 -0.096 0.000 0.836 319 Q CB 2.607 31.240 28.738 -0.174 0.000 1.414 319 Q HN 0.870 nan 8.270 nan 0.000 0.397 320 A N 1.146 123.909 122.820 -0.094 0.000 2.566 320 A HA 0.479 4.799 4.320 0.001 0.000 0.292 320 A C -0.437 177.097 177.584 -0.084 0.000 1.112 320 A CA -0.578 51.419 52.037 -0.067 0.000 0.707 320 A CB 1.595 20.572 19.000 -0.039 0.000 1.302 320 A HN 0.755 nan 8.150 nan 0.000 0.409 321 K N -0.561 119.801 120.400 -0.064 0.000 2.296 321 K HA 0.109 4.429 4.320 0.001 0.000 0.200 321 K C 0.562 177.130 176.600 -0.053 0.000 1.048 321 K CA 1.045 57.295 56.287 -0.062 0.000 0.966 321 K CB 0.119 32.590 32.500 -0.048 0.000 0.754 321 K HN 0.573 nan 8.250 nan 0.000 0.466 322 R N -1.154 119.319 120.500 -0.045 0.000 2.712 322 R HA 0.377 4.718 4.340 0.001 0.000 0.272 322 R C -2.126 174.153 176.300 -0.035 0.000 1.032 322 R CA -0.656 55.421 56.100 -0.037 0.000 0.874 322 R CB 2.457 32.738 30.300 -0.032 0.000 1.256 322 R HN -0.102 nan 8.270 nan 0.000 0.468 323 V N 1.829 121.725 119.914 -0.031 0.000 2.882 323 V HA 0.573 4.694 4.120 0.001 0.000 0.295 323 V C -1.757 174.319 176.094 -0.031 0.000 1.273 323 V CA -0.518 61.760 62.300 -0.036 0.000 0.949 323 V CB 2.051 33.856 31.823 -0.031 0.000 1.071 323 V HN 0.576 nan 8.190 nan 0.000 0.432 324 V N 5.177 125.065 119.914 -0.043 0.000 2.487 324 V HA 0.825 4.946 4.120 0.001 0.000 0.298 324 V C -0.715 175.359 176.094 -0.034 0.000 1.028 324 V CA -0.469 61.815 62.300 -0.025 0.000 0.860 324 V CB 1.426 33.237 31.823 -0.020 0.000 0.991 324 V HN 0.753 nan 8.190 nan 0.000 0.427 325 I N 6.649 127.230 120.570 0.020 0.000 2.474 325 I HA 0.592 4.762 4.170 0.001 0.000 0.294 325 I C 0.224 176.429 176.117 0.147 0.000 1.005 325 I CA -0.153 61.177 61.300 0.051 0.000 1.113 325 I CB 1.869 39.930 38.000 0.102 0.000 1.289 325 I HN 0.977 nan 8.210 nan 0.000 0.436 326 N N 4.738 123.492 118.700 0.089 0.000 3.283 326 N HA 0.309 5.050 4.740 0.001 0.000 0.338 326 N C 0.631 176.021 175.510 -0.199 0.000 1.517 326 N CA -0.776 52.356 53.050 0.136 0.000 0.733 326 N CB 0.830 39.369 38.487 0.086 0.000 1.797 326 N HN 0.404 nan 8.380 nan 0.000 0.637 327 K N -0.365 119.904 120.400 -0.218 0.000 2.127 327 K HA -0.237 4.084 4.320 0.001 0.000 0.212 327 K C -0.306 176.035 176.600 -0.432 0.000 1.050 327 K CA 2.960 58.960 56.287 -0.479 0.000 0.929 327 K CB -0.231 32.195 32.500 -0.123 0.000 0.715 327 K HN 0.737 nan 8.250 nan 0.000 0.457 328 D N -3.025 117.243 120.400 -0.220 0.000 2.523 328 D HA 0.081 4.721 4.640 0.001 0.000 0.269 328 D C -0.585 175.667 176.300 -0.080 0.000 1.374 328 D CA -0.360 53.562 54.000 -0.130 0.000 0.820 328 D CB 0.905 41.664 40.800 -0.068 0.000 1.211 328 D HN -0.163 nan 8.370 nan 0.000 0.502 329 T N 0.188 114.682 114.554 -0.100 0.000 2.848 329 T HA 0.598 4.949 4.350 0.001 0.000 0.285 329 T C -1.025 173.568 174.700 -0.178 0.000 0.995 329 T CA -0.288 61.743 62.100 -0.115 0.000 0.970 329 T CB 1.914 70.730 68.868 -0.086 0.000 0.976 329 T HN -0.119 nan 8.240 nan 0.000 0.441 330 T N 2.496 116.835 114.554 -0.359 0.000 2.829 330 T HA 0.685 5.035 4.350 0.001 0.000 0.280 330 T C -0.430 173.906 174.700 -0.606 0.000 0.999 330 T CA -0.592 61.206 62.100 -0.503 0.000 0.983 330 T CB 1.523 69.952 68.868 -0.733 0.000 0.968 330 T HN 0.643 nan 8.240 nan 0.000 0.446 331 T N 2.869 117.211 114.554 -0.353 0.000 2.991 331 T HA 0.646 4.997 4.350 0.001 0.000 0.303 331 T C -0.564 174.044 174.700 -0.155 0.000 1.015 331 T CA -0.931 61.016 62.100 -0.255 0.000 1.007 331 T CB 0.285 69.055 68.868 -0.163 0.000 1.034 331 T HN 0.653 nan 8.240 nan 0.000 0.446 332 I N 2.651 123.156 120.570 -0.107 0.000 2.525 332 I HA 0.789 4.960 4.170 0.001 0.000 0.301 332 I C -1.234 174.863 176.117 -0.033 0.000 0.992 332 I CA -1.375 59.897 61.300 -0.047 0.000 1.162 332 I CB 1.525 39.526 38.000 0.001 0.000 1.332 332 I HN 0.604 nan 8.210 nan 0.000 0.458 333 I N 4.435 124.986 120.570 -0.031 0.000 2.466 333 I HA 0.329 4.500 4.170 0.001 0.000 0.289 333 I C -0.833 175.268 176.117 -0.026 0.000 1.026 333 I CA -0.407 60.875 61.300 -0.029 0.000 1.078 333 I CB 1.556 39.537 38.000 -0.033 0.000 1.249 333 I HN 0.731 nan 8.210 nan 0.000 0.429 334 D N 4.926 125.313 120.400 -0.022 0.000 3.437 334 D HA -0.113 4.528 4.640 0.001 0.000 0.243 334 D C -0.033 176.253 176.300 -0.024 0.000 1.104 334 D CA 0.788 54.774 54.000 -0.023 0.000 1.009 334 D CB -0.112 40.671 40.800 -0.027 0.000 0.937 334 D HN 0.826 nan 8.370 nan 0.000 0.417 335 G N 0.961 109.752 108.800 -0.015 0.000 2.415 335 G HA2 0.403 4.364 3.960 0.001 0.000 0.269 335 G HA3 0.403 4.364 3.960 0.001 0.000 0.269 335 G C 1.362 176.252 174.900 -0.016 0.000 1.209 335 G CA -0.372 44.721 45.100 -0.013 0.000 0.835 335 G HN 0.304 nan 8.290 nan 0.000 0.534 336 V N 2.501 122.402 119.914 -0.021 0.000 3.510 336 V HA 0.043 4.164 4.120 0.001 0.000 0.270 336 V C 2.066 178.155 176.094 -0.009 0.000 1.201 336 V CA 0.742 63.029 62.300 -0.021 0.000 1.166 336 V CB -1.002 30.803 31.823 -0.031 0.000 0.825 336 V HN 0.796 nan 8.190 nan 0.000 0.484 337 G N 0.882 109.680 108.800 -0.004 0.000 2.321 337 G HA2 0.093 4.053 3.960 0.001 0.000 0.237 337 G HA3 0.093 4.053 3.960 0.001 0.000 0.237 337 G C 0.059 174.958 174.900 -0.001 0.000 1.282 337 G CA -0.254 44.846 45.100 0.001 0.000 0.886 337 G HN 0.261 nan 8.290 nan 0.000 0.528 338 E N 1.339 121.539 120.200 0.000 0.000 2.437 338 E HA -0.016 4.334 4.350 0.001 0.000 0.263 338 E C 1.291 177.890 176.600 -0.001 0.000 1.030 338 E CA -0.239 56.160 56.400 -0.001 0.000 0.934 338 E CB 0.756 30.456 29.700 0.000 0.000 0.943 338 E HN 0.523 nan 8.360 nan 0.000 0.444 339 E N 1.758 121.956 120.200 -0.002 0.000 2.150 339 E HA -0.148 4.203 4.350 0.001 0.000 0.193 339 E C 1.639 178.237 176.600 -0.002 0.000 0.985 339 E CA 1.220 57.619 56.400 -0.003 0.000 0.814 339 E CB -0.095 29.603 29.700 -0.003 0.000 0.752 339 E HN 0.550 nan 8.360 nan 0.000 0.466 340 A N 1.256 124.075 122.820 -0.002 0.000 1.873 340 A HA -0.059 4.262 4.320 0.001 0.000 0.215 340 A C 2.411 179.994 177.584 -0.002 0.000 1.186 340 A CA 2.013 54.049 52.037 -0.002 0.000 0.616 340 A CB -0.610 18.390 19.000 -0.001 0.000 0.823 340 A HN 0.265 nan 8.150 nan 0.000 0.442 341 A N -0.148 122.672 122.820 -0.001 0.000 1.902 341 A HA -0.060 4.260 4.320 0.001 0.000 0.217 341 A C 2.114 179.697 177.584 -0.001 0.000 1.181 341 A CA 1.569 53.605 52.037 -0.001 0.000 0.623 341 A CB -0.600 18.400 19.000 0.001 0.000 0.818 341 A HN 0.497 nan 8.150 nan 0.000 0.443 342 I N -0.915 119.655 120.570 -0.001 0.000 2.286 342 I HA -0.214 3.956 4.170 0.001 0.000 0.245 342 I C 2.580 178.696 176.117 -0.002 0.000 1.104 342 I CA 1.011 62.310 61.300 -0.001 0.000 1.397 342 I CB -0.299 37.701 38.000 -0.000 0.000 1.072 342 I HN 0.206 nan 8.210 nan 0.000 0.417 343 Q N 0.821 120.620 119.800 -0.003 0.000 2.170 343 Q HA -0.095 4.246 4.340 0.001 0.000 0.203 343 Q C 2.311 178.308 176.000 -0.004 0.000 0.976 343 Q CA 1.634 57.435 55.803 -0.003 0.000 0.858 343 Q CB -1.003 27.733 28.738 -0.003 0.000 0.907 343 Q HN 0.571 nan 8.270 nan 0.000 0.433 344 G N 0.045 108.843 108.800 -0.004 0.000 2.418 344 G HA2 -0.293 3.667 3.960 0.001 0.000 0.217 344 G HA3 -0.293 3.667 3.960 0.001 0.000 0.217 344 G C 1.673 176.570 174.900 -0.006 0.000 1.158 344 G CA 0.807 45.904 45.100 -0.004 0.000 0.771 344 G HN 0.276 nan 8.290 nan 0.000 0.545 345 R N -0.221 120.275 120.500 -0.006 0.000 2.148 345 R HA 0.117 4.458 4.340 0.001 0.000 0.223 345 R C 2.545 178.840 176.300 -0.009 0.000 1.088 345 R CA 0.680 56.776 56.100 -0.007 0.000 0.985 345 R CB -0.432 29.864 30.300 -0.007 0.000 0.880 345 R HN 0.238 nan 8.270 nan 0.000 0.451 346 V N 0.264 120.173 119.914 -0.007 0.000 2.270 346 V HA -0.185 3.935 4.120 0.001 0.000 0.245 346 V C 2.225 178.314 176.094 -0.008 0.000 1.043 346 V CA 1.959 64.254 62.300 -0.008 0.000 1.014 346 V CB -0.730 31.089 31.823 -0.006 0.000 0.645 346 V HN 0.503 nan 8.190 nan 0.000 0.447 347 A N -1.197 121.618 122.820 -0.007 0.000 2.019 347 A HA -0.286 4.035 4.320 0.001 0.000 0.219 347 A C 2.155 179.734 177.584 -0.008 0.000 1.164 347 A CA 1.899 53.932 52.037 -0.007 0.000 0.644 347 A CB -0.453 18.543 19.000 -0.006 0.000 0.805 347 A HN 0.643 nan 8.150 nan 0.000 0.449 348 Q N -0.695 119.099 119.800 -0.009 0.000 2.079 348 Q HA -0.088 4.252 4.340 0.001 0.000 0.200 348 Q C 1.955 177.948 176.000 -0.013 0.000 0.974 348 Q CA 1.643 57.439 55.803 -0.010 0.000 0.840 348 Q CB -0.227 28.505 28.738 -0.011 0.000 0.898 348 Q HN 0.789 nan 8.270 nan 0.000 0.430 349 I N -0.189 120.372 120.570 -0.015 0.000 2.480 349 I HA -0.179 3.992 4.170 0.001 0.000 0.251 349 I C 2.282 178.389 176.117 -0.017 0.000 1.124 349 I CA 0.412 61.701 61.300 -0.018 0.000 1.444 349 I CB -0.219 37.768 38.000 -0.021 0.000 1.098 349 I HN 0.067 nan 8.210 nan 0.000 0.428 350 R N 0.840 121.331 120.500 -0.014 0.000 2.103 350 R HA -0.255 4.085 4.340 0.001 0.000 0.242 350 R C 2.182 178.476 176.300 -0.011 0.000 1.142 350 R CA 1.688 57.781 56.100 -0.012 0.000 0.960 350 R CB -0.721 29.573 30.300 -0.010 0.000 0.858 350 R HN 0.536 nan 8.270 nan 0.000 0.439 351 Q N 0.909 120.703 119.800 -0.010 0.000 1.975 351 Q HA -0.226 4.115 4.340 0.001 0.000 0.205 351 Q C 2.033 178.027 176.000 -0.010 0.000 0.990 351 Q CA 1.788 57.586 55.803 -0.009 0.000 0.845 351 Q CB -0.054 28.679 28.738 -0.008 0.000 0.913 351 Q HN 0.407 nan 8.270 nan 0.000 0.420 352 Q N -0.117 119.675 119.800 -0.013 0.000 2.325 352 Q HA -0.185 4.156 4.340 0.001 0.000 0.211 352 Q C 1.919 177.910 176.000 -0.015 0.000 0.988 352 Q CA 1.190 56.984 55.803 -0.014 0.000 0.887 352 Q CB -0.175 28.552 28.738 -0.018 0.000 0.915 352 Q HN 0.510 nan 8.270 nan 0.000 0.440 353 I N 1.068 121.628 120.570 -0.016 0.000 2.493 353 I HA -0.233 3.937 4.170 0.001 0.000 0.254 353 I C 2.481 178.592 176.117 -0.010 0.000 1.160 353 I CA 0.907 62.197 61.300 -0.016 0.000 1.445 353 I CB -0.438 37.552 38.000 -0.017 0.000 1.086 353 I HN 0.298 nan 8.210 nan 0.000 0.433 354 E N 1.527 121.723 120.200 -0.008 0.000 2.267 354 E HA -0.280 4.071 4.350 0.001 0.000 0.197 354 E C 1.523 178.121 176.600 -0.003 0.000 0.998 354 E CA 1.269 57.666 56.400 -0.005 0.000 0.830 354 E CB -0.066 29.631 29.700 -0.004 0.000 0.751 354 E HN 0.473 nan 8.360 nan 0.000 0.491 355 E N 1.419 121.617 120.200 -0.003 0.000 2.021 355 E HA -0.082 4.268 4.350 0.001 0.000 0.200 355 E C 1.120 177.722 176.600 0.004 0.000 1.015 355 E CA 2.098 58.498 56.400 0.000 0.000 0.824 355 E CB -0.472 29.228 29.700 -0.000 0.000 0.762 355 E HN 0.469 nan 8.360 nan 0.000 0.454 356 A N -0.598 122.225 122.820 0.005 0.000 2.783 356 A HA -0.283 4.038 4.320 0.001 0.000 0.292 356 A C 1.390 178.984 177.584 0.016 0.000 1.495 356 A CA 1.235 53.278 52.037 0.010 0.000 0.787 356 A CB -2.449 16.556 19.000 0.007 0.000 1.017 356 A HN 0.314 nan 8.150 nan 0.000 0.516 357 T N -0.999 113.566 114.554 0.020 0.000 2.867 357 T HA 0.217 4.567 4.350 0.001 0.000 0.268 357 T C 0.951 175.672 174.700 0.035 0.000 1.057 357 T CA 1.626 63.740 62.100 0.023 0.000 1.136 357 T CB -0.020 68.862 68.868 0.023 0.000 0.874 357 T HN 1.556 nan 8.240 nan 0.000 0.466 358 S N -0.581 115.149 115.700 0.051 0.000 2.541 358 S HA 0.319 4.789 4.470 0.001 0.000 0.271 358 S C -0.669 173.978 174.600 0.079 0.000 1.133 358 S CA -0.726 57.518 58.200 0.073 0.000 0.876 358 S CB 1.766 65.031 63.200 0.108 0.000 1.105 358 S HN -0.004 nan 8.310 nan 0.000 0.470 359 D N 1.188 121.635 120.400 0.079 0.000 2.309 359 D HA 0.012 4.652 4.640 0.001 0.000 0.212 359 D C 1.110 177.464 176.300 0.091 0.000 0.968 359 D CA 1.083 55.123 54.000 0.066 0.000 0.882 359 D CB -0.071 40.764 40.800 0.058 0.000 0.918 359 D HN 0.597 nan 8.370 nan 0.000 0.503 360 Y N 1.215 121.517 120.300 0.004 0.000 2.153 360 Y HA -0.130 4.420 4.550 0.001 0.000 0.289 360 Y C 1.419 177.318 175.900 -0.001 0.000 1.127 360 Y CA 1.634 59.737 58.100 0.005 0.000 1.131 360 Y CB -0.199 38.266 38.460 0.007 0.000 0.995 360 Y HN -0.111 nan 8.280 nan 0.000 0.505 361 D N -0.552 119.872 120.400 0.040 0.000 2.144 361 D HA -0.136 4.505 4.640 0.001 0.000 0.200 361 D C 2.144 178.391 176.300 -0.088 0.000 0.978 361 D CA 1.158 55.128 54.000 -0.050 0.000 0.833 361 D CB -0.175 40.649 40.800 0.040 0.000 0.961 361 D HN 0.194 nan 8.370 nan 0.000 0.470 362 R N 0.659 121.131 120.500 -0.046 0.000 2.148 362 R HA -0.110 4.231 4.340 0.001 0.000 0.227 362 R C 1.946 178.206 176.300 -0.067 0.000 1.103 362 R CA 0.955 57.030 56.100 -0.043 0.000 0.983 362 R CB 0.091 30.382 30.300 -0.016 0.000 0.874 362 R HN 0.275 nan 8.270 nan 0.000 0.451 363 E N 0.073 120.214 120.200 -0.098 0.000 2.122 363 E HA -0.156 4.195 4.350 0.001 0.000 0.190 363 E C 1.530 178.037 176.600 -0.156 0.000 0.977 363 E CA 0.815 57.150 56.400 -0.108 0.000 0.820 363 E CB 0.259 29.902 29.700 -0.096 0.000 0.770 363 E HN -0.011 nan 8.360 nan 0.000 0.462 364 K N 0.394 120.636 120.400 -0.263 0.000 2.155 364 K HA 0.017 4.338 4.320 0.001 0.000 0.203 364 K C 1.999 178.506 176.600 -0.156 0.000 1.052 364 K CA 0.639 56.762 56.287 -0.272 0.000 0.948 364 K CB 0.028 32.255 32.500 -0.455 0.000 0.728 364 K HN 0.150 nan 8.250 nan 0.000 0.448 365 L N -0.116 121.032 121.223 -0.125 0.000 2.240 365 L HA -0.070 4.271 4.340 0.001 0.000 0.211 365 L C 2.269 179.104 176.870 -0.060 0.000 1.106 365 L CA 0.643 55.436 54.840 -0.079 0.000 0.793 365 L CB -0.277 41.744 42.059 -0.062 0.000 0.927 365 L HN 0.164 nan 8.230 nan 0.000 0.446 366 Q N 0.985 120.748 119.800 -0.062 0.000 2.119 366 Q HA -0.205 4.136 4.340 0.001 0.000 0.201 366 Q C 1.905 177.883 176.000 -0.037 0.000 0.972 366 Q CA 1.627 57.404 55.803 -0.043 0.000 0.847 366 Q CB 0.009 28.723 28.738 -0.041 0.000 0.903 366 Q HN 0.463 nan 8.270 nan 0.000 0.433 367 E N -0.581 119.591 120.200 -0.047 0.000 2.106 367 E HA -0.135 4.216 4.350 0.001 0.000 0.192 367 E C 2.076 178.664 176.600 -0.020 0.000 0.984 367 E CA 0.838 57.219 56.400 -0.031 0.000 0.806 367 E CB -0.019 29.658 29.700 -0.038 0.000 0.750 367 E HN 0.297 nan 8.360 nan 0.000 0.458 368 R N 0.292 120.774 120.500 -0.030 0.000 2.115 368 R HA -0.068 4.272 4.340 0.001 0.000 0.230 368 R C 2.369 178.661 176.300 -0.013 0.000 1.111 368 R CA 0.793 56.880 56.100 -0.021 0.000 0.976 368 R CB -0.148 30.131 30.300 -0.034 0.000 0.870 368 R HN 0.040 nan 8.270 nan 0.000 0.445 369 V N 1.061 120.964 119.914 -0.017 0.000 2.270 369 V HA -0.235 3.885 4.120 0.001 0.000 0.245 369 V C 2.477 178.567 176.094 -0.007 0.000 1.043 369 V CA 1.990 64.282 62.300 -0.012 0.000 1.014 369 V CB -0.788 31.026 31.823 -0.015 0.000 0.645 369 V HN 0.385 nan 8.190 nan 0.000 0.447 370 A N -0.106 122.710 122.820 -0.007 0.000 1.892 370 A HA -0.255 4.066 4.320 0.001 0.000 0.218 370 A C 2.287 179.874 177.584 0.004 0.000 1.188 370 A CA 1.996 54.032 52.037 -0.002 0.000 0.631 370 A CB -0.502 18.496 19.000 -0.003 0.000 0.822 370 A HN 0.427 nan 8.150 nan 0.000 0.447 371 K N -0.933 119.473 120.400 0.011 0.000 2.032 371 K HA -0.115 4.206 4.320 0.001 0.000 0.209 371 K C 1.925 178.538 176.600 0.021 0.000 1.048 371 K CA 1.296 57.597 56.287 0.024 0.000 0.927 371 K CB -0.785 31.740 32.500 0.043 0.000 0.712 371 K HN 0.442 nan 8.250 nan 0.000 0.441 372 L N 0.566 121.798 121.223 0.014 0.000 2.034 372 L HA 0.037 4.378 4.340 0.001 0.000 0.203 372 L C 2.114 178.987 176.870 0.006 0.000 1.074 372 L CA 1.867 56.714 54.840 0.012 0.000 0.748 372 L CB -0.852 41.210 42.059 0.006 0.000 0.905 372 L HN 0.121 nan 8.230 nan 0.000 0.439 373 A N -1.146 121.674 122.820 0.002 0.000 2.123 373 A HA 0.144 4.465 4.320 0.001 0.000 0.214 373 A C 2.160 179.743 177.584 -0.001 0.000 1.152 373 A CA 0.889 52.926 52.037 -0.001 0.000 0.728 373 A CB -1.118 17.880 19.000 -0.003 0.000 0.814 373 A HN 0.498 nan 8.150 nan 0.000 0.464 374 G N -0.571 108.229 108.800 -0.000 0.000 2.448 374 G HA2 0.361 4.322 3.960 0.001 0.000 0.218 374 G HA3 0.361 4.322 3.960 0.001 0.000 0.218 374 G C 1.104 176.002 174.900 -0.003 0.000 1.135 374 G CA 0.668 45.767 45.100 -0.002 0.000 0.784 374 G HN 1.585 nan 8.290 nan 0.000 0.543 375 G N -1.612 107.188 108.800 -0.001 0.000 2.877 375 G HA2 -0.020 3.940 3.960 0.001 0.000 0.279 375 G HA3 -0.020 3.940 3.960 0.001 0.000 0.279 375 G C -0.609 174.286 174.900 -0.008 0.000 1.431 375 G CA -0.270 44.828 45.100 -0.004 0.000 0.883 375 G HN 0.943 nan 8.290 nan 0.000 0.547 376 V N 0.409 120.316 119.914 -0.012 0.000 2.656 376 V HA 0.749 4.869 4.120 0.001 0.000 0.307 376 V C 0.719 176.801 176.094 -0.019 0.000 1.051 376 V CA -0.081 62.208 62.300 -0.018 0.000 0.893 376 V CB 1.663 33.472 31.823 -0.023 0.000 0.999 376 V HN 2.030 nan 8.190 nan 0.000 0.426 377 A N 4.415 127.222 122.820 -0.021 0.000 2.252 377 A HA 0.716 5.037 4.320 0.001 0.000 0.309 377 A C -0.244 177.326 177.584 -0.023 0.000 1.285 377 A CA -0.411 51.614 52.037 -0.020 0.000 0.900 377 A CB 0.872 19.861 19.000 -0.018 0.000 1.157 377 A HN 1.349 nan 8.150 nan 0.000 0.536 378 V N 1.965 121.866 119.914 -0.021 0.000 2.481 378 V HA 0.730 4.850 4.120 0.001 0.000 0.286 378 V C -0.358 175.725 176.094 -0.019 0.000 1.042 378 V CA -0.598 61.688 62.300 -0.022 0.000 0.928 378 V CB 1.001 32.811 31.823 -0.022 0.000 0.986 378 V HN 0.595 nan 8.190 nan 0.000 0.462 379 I N 5.162 125.721 120.570 -0.019 0.000 2.359 379 I HA 0.418 4.589 4.170 0.001 0.000 0.284 379 I C 0.261 176.369 176.117 -0.014 0.000 1.018 379 I CA -0.484 60.806 61.300 -0.016 0.000 1.173 379 I CB 1.212 39.202 38.000 -0.016 0.000 1.326 379 I HN 0.618 nan 8.210 nan 0.000 0.462 380 K N 5.577 125.970 120.400 -0.013 0.000 2.316 380 K HA 0.364 4.685 4.320 0.001 0.000 0.289 380 K C -0.609 175.986 176.600 -0.009 0.000 1.070 380 K CA -0.427 55.853 56.287 -0.011 0.000 0.928 380 K CB 1.586 34.080 32.500 -0.011 0.000 1.039 380 K HN 0.314 nan 8.250 nan 0.000 0.480 381 V N 2.993 122.902 119.914 -0.008 0.000 2.406 381 V HA 0.251 4.372 4.120 0.001 0.000 0.272 381 V C 0.725 176.816 176.094 -0.006 0.000 1.043 381 V CA -0.609 61.687 62.300 -0.007 0.000 0.915 381 V CB 1.259 33.078 31.823 -0.005 0.000 0.988 381 V HN 0.903 nan 8.190 nan 0.000 0.466 382 G N 3.201 111.997 108.800 -0.005 0.000 2.410 382 G HA2 0.829 4.790 3.960 0.001 0.000 0.330 382 G HA3 0.829 4.790 3.960 0.001 0.000 0.330 382 G C -0.478 174.420 174.900 -0.004 0.000 1.142 382 G CA 0.166 45.263 45.100 -0.005 0.000 0.902 382 G HN 1.187 nan 8.290 nan 0.000 0.491 383 A N -0.378 122.439 122.820 -0.004 0.000 2.536 383 A HA 0.794 5.115 4.320 0.001 0.000 0.293 383 A C 0.792 178.373 177.584 -0.004 0.000 1.119 383 A CA 0.417 52.452 52.037 -0.004 0.000 0.654 383 A CB 0.376 19.374 19.000 -0.003 0.000 1.291 383 A HN 1.769 nan 8.150 nan 0.000 0.439 384 A N -0.782 122.036 122.820 -0.003 0.000 1.935 384 A HA 0.467 4.788 4.320 0.001 0.000 0.214 384 A C 1.260 178.842 177.584 -0.003 0.000 1.178 384 A CA 2.270 54.305 52.037 -0.003 0.000 0.640 384 A CB -0.391 18.608 19.000 -0.003 0.000 0.825 384 A HN 2.065 nan 8.150 nan 0.000 0.447 385 T N -2.587 111.965 114.554 -0.003 0.000 2.906 385 T HA 0.370 4.721 4.350 0.001 0.000 0.295 385 T C 0.567 175.265 174.700 -0.003 0.000 1.061 385 T CA 0.076 62.175 62.100 -0.003 0.000 1.000 385 T CB 1.702 70.568 68.868 -0.003 0.000 1.103 385 T HN 0.324 nan 8.240 nan 0.000 0.486 386 E N 1.558 121.756 120.200 -0.004 0.000 2.070 386 E HA -0.143 4.207 4.350 0.001 0.000 0.197 386 E C 1.885 178.483 176.600 -0.004 0.000 1.004 386 E CA 2.029 58.427 56.400 -0.004 0.000 0.805 386 E CB -0.187 29.511 29.700 -0.004 0.000 0.744 386 E HN 0.590 nan 8.360 nan 0.000 0.451 387 V N 1.114 121.026 119.914 -0.004 0.000 2.392 387 V HA -0.262 3.859 4.120 0.001 0.000 0.249 387 V C 2.404 178.496 176.094 -0.003 0.000 1.059 387 V CA 2.311 64.609 62.300 -0.003 0.000 1.051 387 V CB -0.664 31.157 31.823 -0.003 0.000 0.658 387 V HN 0.356 nan 8.190 nan 0.000 0.455 388 E N -0.688 119.510 120.200 -0.003 0.000 2.152 388 E HA -0.176 4.175 4.350 0.001 0.000 0.192 388 E C 2.163 178.762 176.600 -0.003 0.000 0.983 388 E CA 1.000 57.398 56.400 -0.003 0.000 0.818 388 E CB -0.015 29.683 29.700 -0.003 0.000 0.758 388 E HN 0.545 nan 8.360 nan 0.000 0.467 389 M N 0.522 120.121 119.600 -0.003 0.000 2.171 389 M HA -0.071 4.410 4.480 0.001 0.000 0.260 389 M C 1.937 178.235 176.300 -0.003 0.000 1.087 389 M CA 1.275 56.573 55.300 -0.003 0.000 1.154 389 M CB -0.147 32.451 32.600 -0.004 0.000 1.331 389 M HN -0.124 nan 8.290 nan 0.000 0.431 390 K N 0.295 120.693 120.400 -0.003 0.000 2.360 390 K HA -0.196 4.125 4.320 0.001 0.000 0.201 390 K C 1.889 178.488 176.600 -0.001 0.000 1.046 390 K CA 1.072 57.357 56.287 -0.002 0.000 0.940 390 K CB -0.064 32.434 32.500 -0.003 0.000 0.748 390 K HN 0.412 nan 8.250 nan 0.000 0.465 391 E N 1.369 121.569 120.200 -0.001 0.000 2.021 391 E HA -0.161 4.190 4.350 0.001 0.000 0.189 391 E C 1.818 178.418 176.600 0.001 0.000 0.980 391 E CA 1.135 57.535 56.400 -0.000 0.000 0.803 391 E CB 0.054 29.753 29.700 -0.001 0.000 0.766 391 E HN 0.107 nan 8.360 nan 0.000 0.449 392 K N 1.122 121.522 120.400 -0.000 0.000 2.074 392 K HA -0.226 4.094 4.320 0.001 0.000 0.209 392 K C 2.364 178.965 176.600 0.002 0.000 1.048 392 K CA 1.888 58.175 56.287 0.000 0.000 0.926 392 K CB -0.166 32.334 32.500 -0.001 0.000 0.713 392 K HN -0.036 nan 8.250 nan 0.000 0.444 393 K N 0.158 120.558 120.400 0.001 0.000 2.015 393 K HA -0.242 4.079 4.320 0.001 0.000 0.216 393 K C 1.983 178.586 176.600 0.006 0.000 1.052 393 K CA 1.812 58.100 56.287 0.001 0.000 0.937 393 K CB -0.337 32.163 32.500 -0.000 0.000 0.719 393 K HN 0.247 nan 8.250 nan 0.000 0.446 394 A N 1.308 124.133 122.820 0.008 0.000 1.908 394 A HA -0.212 4.109 4.320 0.001 0.000 0.218 394 A C 2.203 179.798 177.584 0.019 0.000 1.181 394 A CA 1.826 53.871 52.037 0.015 0.000 0.627 394 A CB -0.628 18.379 19.000 0.011 0.000 0.818 394 A HN 0.449 nan 8.150 nan 0.000 0.445 395 R N -0.684 119.823 120.500 0.013 0.000 2.096 395 R HA -0.087 4.254 4.340 0.001 0.000 0.235 395 R C 2.007 178.317 176.300 0.016 0.000 1.127 395 R CA 1.551 57.659 56.100 0.013 0.000 0.968 395 R CB -0.358 29.946 30.300 0.007 0.000 0.861 395 R HN 0.362 nan 8.270 nan 0.000 0.440 396 V N 0.994 120.915 119.914 0.012 0.000 2.261 396 V HA -0.238 3.883 4.120 0.001 0.000 0.246 396 V C 1.952 178.057 176.094 0.017 0.000 1.047 396 V CA 1.959 64.265 62.300 0.010 0.000 1.015 396 V CB -0.431 31.393 31.823 0.002 0.000 0.642 396 V HN 0.409 nan 8.190 nan 0.000 0.446 397 E N -0.278 119.935 120.200 0.022 0.000 2.130 397 E HA -0.264 4.087 4.350 0.001 0.000 0.196 397 E C 1.970 178.626 176.600 0.093 0.000 0.998 397 E CA 1.498 57.920 56.400 0.036 0.000 0.806 397 E CB -0.173 29.553 29.700 0.043 0.000 0.738 397 E HN 0.621 nan 8.360 nan 0.000 0.459 398 D N 0.045 120.494 120.400 0.082 0.000 2.097 398 D HA -0.124 4.517 4.640 0.001 0.000 0.197 398 D C 1.911 178.265 176.300 0.090 0.000 0.984 398 D CA 1.302 55.355 54.000 0.089 0.000 0.826 398 D CB -0.104 40.722 40.800 0.043 0.000 0.973 398 D HN 0.160 nan 8.370 nan 0.000 0.460 399 A N 0.886 123.739 122.820 0.055 0.000 1.897 399 A HA -0.084 4.237 4.320 0.001 0.000 0.215 399 A C 2.305 179.917 177.584 0.046 0.000 1.181 399 A CA 0.655 52.718 52.037 0.043 0.000 0.620 399 A CB -0.782 18.231 19.000 0.023 0.000 0.821 399 A HN 0.217 nan 8.150 nan 0.000 0.443 400 L N -1.180 120.063 121.223 0.033 0.000 1.990 400 L HA -0.263 4.077 4.340 0.001 0.000 0.213 400 L C 2.653 179.533 176.870 0.016 0.000 1.072 400 L CA 2.089 56.929 54.840 0.001 0.000 0.755 400 L CB -0.465 41.570 42.059 -0.041 0.000 0.889 400 L HN 0.505 nan 8.230 nan 0.000 0.432 401 H N -0.302 118.768 119.070 0.000 0.000 2.252 401 H HA -0.223 4.333 4.556 0.001 0.000 0.292 401 H C 2.111 177.442 175.328 0.004 0.000 1.082 401 H CA 1.946 57.995 56.048 0.002 0.000 1.229 401 H CB -0.408 29.356 29.762 0.002 0.000 1.353 401 H HN 0.537 nan 8.280 nan 0.000 0.488 402 A N -0.251 122.665 122.820 0.161 0.000 2.019 402 A HA -0.147 4.174 4.320 0.001 0.000 0.219 402 A C 2.646 180.265 177.584 0.060 0.000 1.164 402 A CA 1.965 54.052 52.037 0.084 0.000 0.644 402 A CB -0.675 18.356 19.000 0.052 0.000 0.805 402 A HN 0.475 nan 8.150 nan 0.000 0.449 403 T N -0.377 114.208 114.554 0.051 0.000 2.732 403 T HA -0.096 4.254 4.350 0.001 0.000 0.261 403 T C 2.011 176.729 174.700 0.029 0.000 1.040 403 T CA 1.318 63.437 62.100 0.031 0.000 1.145 403 T CB -0.229 68.650 68.868 0.019 0.000 0.866 403 T HN 0.540 nan 8.240 nan 0.000 0.427 404 R N 1.152 121.670 120.500 0.029 0.000 2.170 404 R HA -0.041 4.300 4.340 0.001 0.000 0.242 404 R C 2.513 178.836 176.300 0.038 0.000 1.145 404 R CA 1.295 57.409 56.100 0.023 0.000 0.984 404 R CB -0.349 29.958 30.300 0.011 0.000 0.869 404 R HN 0.341 nan 8.270 nan 0.000 0.455 405 A N 0.520 123.372 122.820 0.054 0.000 2.072 405 A HA 0.157 4.478 4.320 0.001 0.000 0.216 405 A C 2.171 179.777 177.584 0.036 0.000 1.156 405 A CA 0.992 53.059 52.037 0.051 0.000 0.701 405 A CB -0.084 18.953 19.000 0.062 0.000 0.816 405 A HN 0.345 nan 8.150 nan 0.000 0.458 406 A N -0.480 122.359 122.820 0.032 0.000 1.903 406 A HA 0.128 4.449 4.320 0.001 0.000 0.213 406 A C 2.054 179.650 177.584 0.021 0.000 1.185 406 A CA 1.302 53.354 52.037 0.025 0.000 0.628 406 A CB -0.793 18.220 19.000 0.022 0.000 0.830 406 A HN 0.307 nan 8.150 nan 0.000 0.446 407 V N 0.419 120.344 119.914 0.019 0.000 2.453 407 V HA -0.301 3.820 4.120 0.001 0.000 0.252 407 V C 2.362 178.466 176.094 0.016 0.000 1.068 407 V CA 2.434 64.743 62.300 0.015 0.000 1.070 407 V CB -0.758 31.073 31.823 0.013 0.000 0.664 407 V HN 0.633 nan 8.190 nan 0.000 0.461 408 E N -0.758 119.454 120.200 0.020 0.000 2.086 408 E HA -0.063 4.287 4.350 0.001 0.000 0.190 408 E C 1.608 178.220 176.600 0.019 0.000 0.975 408 E CA 0.911 57.323 56.400 0.020 0.000 0.813 408 E CB 0.153 29.868 29.700 0.025 0.000 0.768 408 E HN 0.620 nan 8.360 nan 0.000 0.457 409 E N -0.798 119.414 120.200 0.020 0.000 2.789 409 E HA 0.197 4.548 4.350 0.001 0.000 0.217 409 E C 0.006 176.617 176.600 0.018 0.000 0.970 409 E CA 0.101 56.512 56.400 0.018 0.000 1.201 409 E CB 1.656 31.368 29.700 0.019 0.000 1.069 409 E HN 0.246 nan 8.360 nan 0.000 0.499 410 G N 1.226 110.037 108.800 0.018 0.000 2.741 410 G HA2 -0.238 3.723 3.960 0.001 0.000 0.222 410 G HA3 -0.238 3.723 3.960 0.001 0.000 0.222 410 G C -0.179 174.733 174.900 0.019 0.000 1.364 410 G CA -0.352 44.759 45.100 0.018 0.000 0.866 410 G HN 0.502 nan 8.290 nan 0.000 0.555 411 V N -2.646 117.279 119.914 0.019 0.000 3.074 411 V HA 1.007 5.128 4.120 0.001 0.000 0.314 411 V C 0.569 176.675 176.094 0.020 0.000 1.117 411 V CA 0.243 62.555 62.300 0.019 0.000 1.014 411 V CB 1.436 33.270 31.823 0.018 0.000 1.057 411 V HN 2.561 nan 8.190 nan 0.000 0.438 412 V N -1.653 118.274 119.914 0.021 0.000 3.232 412 V HA 0.946 5.067 4.120 0.001 0.000 0.303 412 V C 0.308 176.416 176.094 0.023 0.000 1.311 412 V CA -0.786 61.528 62.300 0.024 0.000 1.061 412 V CB 1.164 33.001 31.823 0.024 0.000 1.085 412 V HN 2.325 nan 8.190 nan 0.000 0.447 413 A N 1.099 123.936 122.820 0.028 0.000 2.515 413 A HA 0.410 4.731 4.320 0.001 0.000 0.276 413 A C 1.586 179.181 177.584 0.018 0.000 1.104 413 A CA 0.678 52.730 52.037 0.025 0.000 0.822 413 A CB -0.753 18.269 19.000 0.036 0.000 1.016 413 A HN 2.186 nan 8.150 nan 0.000 0.530 414 G N 2.395 111.201 108.800 0.010 0.000 2.586 414 G HA2 0.090 4.051 3.960 0.001 0.000 0.215 414 G HA3 0.090 4.051 3.960 0.001 0.000 0.215 414 G C 0.950 175.853 174.900 0.004 0.000 1.128 414 G CA 0.763 45.866 45.100 0.005 0.000 0.774 414 G HN 1.138 nan 8.290 nan 0.000 0.543 415 G N -0.449 108.356 108.800 0.007 0.000 3.591 415 G HA2 0.417 4.378 3.960 0.001 0.000 0.282 415 G HA3 0.417 4.378 3.960 0.001 0.000 0.282 415 G C 1.163 176.077 174.900 0.025 0.000 1.238 415 G CA 0.239 45.347 45.100 0.013 0.000 0.993 415 G HN 1.104 nan 8.290 nan 0.000 0.542 416 G N -0.768 108.044 108.800 0.021 0.000 2.168 416 G HA2 -0.351 3.610 3.960 0.001 0.000 0.257 416 G HA3 -0.351 3.610 3.960 0.001 0.000 0.257 416 G C 1.196 176.113 174.900 0.028 0.000 0.997 416 G CA 0.616 45.730 45.100 0.023 0.000 0.708 416 G HN 0.545 nan 8.290 nan 0.000 0.520 417 V N 0.391 120.323 119.914 0.030 0.000 2.283 417 V HA 0.005 4.126 4.120 0.001 0.000 0.243 417 V C 3.259 179.375 176.094 0.038 0.000 1.039 417 V CA 2.673 64.995 62.300 0.036 0.000 1.016 417 V CB -1.342 30.500 31.823 0.032 0.000 0.650 417 V HN 0.967 nan 8.190 nan 0.000 0.449 418 A N 0.459 123.299 122.820 0.034 0.000 1.894 418 A HA -0.275 4.046 4.320 0.001 0.000 0.220 418 A C 2.234 179.837 177.584 0.031 0.000 1.237 418 A CA 2.403 54.460 52.037 0.033 0.000 0.660 418 A CB -0.875 18.142 19.000 0.028 0.000 0.835 418 A HN 0.380 nan 8.150 nan 0.000 0.461 419 L N -0.339 120.901 121.223 0.028 0.000 2.012 419 L HA -0.151 4.189 4.340 0.001 0.000 0.210 419 L C 2.515 179.401 176.870 0.026 0.000 1.073 419 L CA 1.619 56.474 54.840 0.025 0.000 0.748 419 L CB -1.070 41.002 42.059 0.023 0.000 0.891 419 L HN 0.413 nan 8.230 nan 0.000 0.431 420 I N -0.703 119.885 120.570 0.029 0.000 2.335 420 I HA -0.314 3.856 4.170 0.001 0.000 0.251 420 I C 2.658 178.796 176.117 0.035 0.000 1.129 420 I CA 0.948 62.266 61.300 0.031 0.000 1.402 420 I CB -0.446 37.574 38.000 0.034 0.000 1.069 420 I HN 0.332 nan 8.210 nan 0.000 0.424 421 R N 1.329 121.853 120.500 0.040 0.000 2.061 421 R HA -0.137 4.204 4.340 0.001 0.000 0.230 421 R C 2.389 178.710 176.300 0.035 0.000 1.140 421 R CA 2.191 58.318 56.100 0.046 0.000 0.940 421 R CB -0.720 29.611 30.300 0.052 0.000 0.839 421 R HN 0.271 nan 8.270 nan 0.000 0.429 422 V N -0.747 119.184 119.914 0.029 0.000 2.332 422 V HA -0.121 3.999 4.120 0.001 0.000 0.248 422 V C 2.197 178.303 176.094 0.020 0.000 1.055 422 V CA 1.973 64.287 62.300 0.023 0.000 1.038 422 V CB -1.416 30.418 31.823 0.020 0.000 0.651 422 V HN 0.394 nan 8.190 nan 0.000 0.450 423 A N 1.341 124.173 122.820 0.020 0.000 2.024 423 A HA -0.158 4.163 4.320 0.001 0.000 0.220 423 A C 2.519 180.114 177.584 0.017 0.000 1.164 423 A CA 2.600 54.647 52.037 0.017 0.000 0.643 423 A CB -0.937 18.073 19.000 0.017 0.000 0.806 423 A HN 1.022 nan 8.150 nan 0.000 0.451 424 S N -0.568 115.145 115.700 0.021 0.000 2.425 424 S HA -0.016 4.455 4.470 0.001 0.000 0.225 424 S C 1.807 176.418 174.600 0.018 0.000 1.024 424 S CA 0.791 59.003 58.200 0.021 0.000 0.951 424 S CB -0.155 63.061 63.200 0.027 0.000 0.796 424 S HN 0.575 nan 8.310 nan 0.000 0.498 425 K N 1.572 121.983 120.400 0.019 0.000 1.973 425 K HA -0.006 4.315 4.320 0.001 0.000 0.212 425 K C 0.975 177.582 176.600 0.012 0.000 1.047 425 K CA 1.280 57.577 56.287 0.016 0.000 0.937 425 K CB -0.719 31.791 32.500 0.017 0.000 0.721 425 K HN 0.462 nan 8.250 nan 0.000 0.440 426 L N -0.125 121.105 121.223 0.011 0.000 2.955 426 L HA 0.282 4.622 4.340 0.001 0.000 0.238 426 L C 1.136 178.011 176.870 0.008 0.000 1.359 426 L CA -0.054 54.791 54.840 0.009 0.000 1.214 426 L CB -0.020 42.044 42.059 0.008 0.000 1.600 426 L HN -0.056 nan 8.230 nan 0.000 0.442 427 A N -1.170 121.655 122.820 0.008 0.000 2.208 427 A HA 0.011 4.332 4.320 0.001 0.000 0.209 427 A C 1.600 179.187 177.584 0.006 0.000 1.161 427 A CA 0.558 52.599 52.037 0.007 0.000 0.782 427 A CB -0.153 18.851 19.000 0.008 0.000 0.816 427 A HN 0.442 nan 8.150 nan 0.000 0.477 428 D N -0.931 119.472 120.400 0.005 0.000 2.346 428 D HA 0.096 4.736 4.640 0.001 0.000 0.206 428 D C 0.412 176.715 176.300 0.004 0.000 1.001 428 D CA -0.140 53.862 54.000 0.004 0.000 0.871 428 D CB -0.148 40.655 40.800 0.004 0.000 0.943 428 D HN 0.281 nan 8.370 nan 0.000 0.518 429 L N 1.894 123.120 121.223 0.004 0.000 2.678 429 L HA -0.088 4.253 4.340 0.001 0.000 0.285 429 L C 0.367 177.239 176.870 0.003 0.000 1.233 429 L CA 0.927 55.769 54.840 0.004 0.000 0.920 429 L CB 0.033 42.094 42.059 0.004 0.000 1.176 429 L HN -0.149 nan 8.230 nan 0.000 0.495 430 R N 2.786 123.287 120.500 0.003 0.000 2.930 430 R HA 0.822 5.163 4.340 0.001 0.000 0.257 430 R C -0.038 176.264 176.300 0.002 0.000 1.107 430 R CA -0.307 55.794 56.100 0.003 0.000 0.999 430 R CB 1.397 31.698 30.300 0.002 0.000 1.209 430 R HN 0.765 nan 8.270 nan 0.000 0.486 431 G N -0.264 108.538 108.800 0.002 0.000 3.222 431 G HA2 0.358 4.318 3.960 0.001 0.000 0.263 431 G HA3 0.358 4.318 3.960 0.001 0.000 0.263 431 G C -0.326 174.575 174.900 0.002 0.000 1.312 431 G CA -0.162 44.939 45.100 0.002 0.000 0.934 431 G HN 0.316 nan 8.290 nan 0.000 0.577 432 Q N -0.418 119.383 119.800 0.002 0.000 2.263 432 Q HA 0.155 4.495 4.340 0.001 0.000 0.196 432 Q C 1.168 177.169 176.000 0.001 0.000 0.965 432 Q CA 0.153 55.956 55.803 0.001 0.000 0.851 432 Q CB -0.086 28.652 28.738 0.001 0.000 0.948 432 Q HN 0.538 nan 8.270 nan 0.000 0.516 433 N N 1.279 119.980 118.700 0.002 0.000 2.492 433 N HA -0.064 4.676 4.740 0.001 0.000 0.262 433 N C 0.620 176.131 175.510 0.002 0.000 1.202 433 N CA -0.040 53.011 53.050 0.002 0.000 0.926 433 N CB 0.645 39.133 38.487 0.002 0.000 1.078 433 N HN 0.299 nan 8.380 nan 0.000 0.454 434 E N 2.090 122.291 120.200 0.002 0.000 2.333 434 E HA -0.226 4.124 4.350 0.001 0.000 0.198 434 E C 0.200 176.801 176.600 0.002 0.000 1.007 434 E CA 1.285 57.686 56.400 0.002 0.000 0.845 434 E CB 0.134 29.835 29.700 0.001 0.000 0.766 434 E HN 0.558 nan 8.360 nan 0.000 0.507 435 D N 0.713 121.115 120.400 0.002 0.000 2.224 435 D HA -0.109 4.532 4.640 0.001 0.000 0.205 435 D C 1.739 178.041 176.300 0.003 0.000 0.965 435 D CA 0.763 54.764 54.000 0.003 0.000 0.852 435 D CB -0.060 40.742 40.800 0.003 0.000 0.947 435 D HN 0.365 nan 8.370 nan 0.000 0.494 436 Q N 0.005 119.807 119.800 0.003 0.000 2.230 436 Q HA -0.065 4.276 4.340 0.001 0.000 0.202 436 Q C 1.595 177.597 176.000 0.003 0.000 0.963 436 Q CA 0.552 56.357 55.803 0.003 0.000 0.866 436 Q CB 0.262 29.001 28.738 0.003 0.000 0.931 436 Q HN 0.146 nan 8.270 nan 0.000 0.452 437 N N -0.235 118.466 118.700 0.003 0.000 2.039 437 N HA -0.144 4.596 4.740 0.001 0.000 0.193 437 N C 1.827 177.339 175.510 0.004 0.000 1.044 437 N CA 1.195 54.247 53.050 0.003 0.000 0.847 437 N CB -0.593 37.895 38.487 0.003 0.000 1.030 437 N HN 0.029 nan 8.380 nan 0.000 0.422 438 V N 1.261 121.178 119.914 0.004 0.000 2.313 438 V HA -0.268 3.852 4.120 0.001 0.000 0.253 438 V C 2.423 178.519 176.094 0.005 0.000 1.070 438 V CA 2.192 64.494 62.300 0.004 0.000 1.057 438 V CB -1.409 30.416 31.823 0.004 0.000 0.653 438 V HN 0.419 nan 8.190 nan 0.000 0.450 439 G N -0.193 108.610 108.800 0.005 0.000 2.469 439 G HA2 -0.255 3.706 3.960 0.001 0.000 0.219 439 G HA3 -0.255 3.706 3.960 0.001 0.000 0.219 439 G C 1.485 176.388 174.900 0.006 0.000 1.150 439 G CA 1.391 46.495 45.100 0.006 0.000 0.763 439 G HN 0.550 nan 8.290 nan 0.000 0.561 440 I N 0.089 120.662 120.570 0.005 0.000 2.133 440 I HA -0.057 4.114 4.170 0.001 0.000 0.238 440 I C 2.690 178.811 176.117 0.006 0.000 1.074 440 I CA 1.055 62.358 61.300 0.005 0.000 1.342 440 I CB -0.261 37.742 38.000 0.004 0.000 1.053 440 I HN -0.095 nan 8.210 nan 0.000 0.404 441 K N 1.023 121.427 120.400 0.005 0.000 2.107 441 K HA -0.162 4.158 4.320 0.001 0.000 0.211 441 K C 2.040 178.644 176.600 0.006 0.000 1.049 441 K CA 1.230 57.520 56.287 0.006 0.000 0.927 441 K CB -1.092 31.411 32.500 0.005 0.000 0.714 441 K HN 0.156 nan 8.250 nan 0.000 0.452 442 V N 0.742 120.660 119.914 0.006 0.000 2.219 442 V HA -0.332 3.789 4.120 0.001 0.000 0.248 442 V C 2.240 178.339 176.094 0.008 0.000 1.053 442 V CA 2.388 64.692 62.300 0.007 0.000 1.009 442 V CB -0.922 30.906 31.823 0.008 0.000 0.636 442 V HN 0.428 nan 8.190 nan 0.000 0.445 443 A N -1.118 121.708 122.820 0.009 0.000 2.019 443 A HA -0.101 4.220 4.320 0.001 0.000 0.219 443 A C 2.183 179.773 177.584 0.010 0.000 1.164 443 A CA 1.515 53.558 52.037 0.010 0.000 0.644 443 A CB -0.429 18.576 19.000 0.009 0.000 0.805 443 A HN 0.508 nan 8.150 nan 0.000 0.449 444 L N -1.498 119.730 121.223 0.009 0.000 1.961 444 L HA -0.166 4.175 4.340 0.001 0.000 0.209 444 L C 2.718 179.594 176.870 0.010 0.000 1.075 444 L CA 1.721 56.566 54.840 0.009 0.000 0.749 444 L CB -0.581 41.483 42.059 0.009 0.000 0.890 444 L HN 0.354 nan 8.230 nan 0.000 0.433 445 R N -0.180 120.325 120.500 0.009 0.000 2.165 445 R HA -0.281 4.060 4.340 0.001 0.000 0.254 445 R C 2.162 178.467 176.300 0.009 0.000 1.153 445 R CA 1.947 58.052 56.100 0.008 0.000 0.971 445 R CB -0.439 29.865 30.300 0.007 0.000 0.878 445 R HN 0.483 nan 8.270 nan 0.000 0.449 446 A N -0.244 122.582 122.820 0.010 0.000 2.070 446 A HA -0.157 4.164 4.320 0.001 0.000 0.220 446 A C 2.015 179.607 177.584 0.013 0.000 1.159 446 A CA 1.411 53.455 52.037 0.012 0.000 0.656 446 A CB -0.336 18.672 19.000 0.013 0.000 0.800 446 A HN 0.330 nan 8.150 nan 0.000 0.453 447 M N -0.763 118.845 119.600 0.014 0.000 2.349 447 M HA -0.064 4.417 4.480 0.001 0.000 0.266 447 M C 1.302 177.611 176.300 0.015 0.000 1.076 447 M CA 0.898 56.207 55.300 0.015 0.000 1.126 447 M CB -0.171 32.439 32.600 0.016 0.000 1.392 447 M HN 0.440 nan 8.290 nan 0.000 0.440 448 E N 0.509 120.716 120.200 0.013 0.000 2.511 448 E HA -0.016 4.334 4.350 0.001 0.000 0.196 448 E C 1.802 178.408 176.600 0.009 0.000 1.066 448 E CA 0.385 56.792 56.400 0.011 0.000 0.871 448 E CB -0.004 29.701 29.700 0.008 0.000 0.863 448 E HN 0.460 nan 8.360 nan 0.000 0.520 449 A N 2.474 125.300 122.820 0.010 0.000 1.841 449 A HA -0.074 4.246 4.320 0.001 0.000 0.214 449 A C -0.264 177.325 177.584 0.009 0.000 1.195 449 A CA 0.891 52.933 52.037 0.009 0.000 0.611 449 A CB -1.368 17.638 19.000 0.010 0.000 0.835 449 A HN 0.115 nan 8.150 nan 0.000 0.443 450 P HA -0.176 nan 4.420 nan 0.000 0.214 450 P C 1.811 179.120 177.300 0.015 0.000 1.163 450 P CA 1.160 64.268 63.100 0.013 0.000 0.889 450 P CB -0.138 31.571 31.700 0.016 0.000 0.790 451 L N -0.432 120.802 121.223 0.017 0.000 1.971 451 L HA -0.206 4.135 4.340 0.001 0.000 0.215 451 L C 2.443 179.317 176.870 0.006 0.000 1.072 451 L CA 2.018 56.870 54.840 0.020 0.000 0.758 451 L CB -0.719 41.354 42.059 0.024 0.000 0.889 451 L HN -0.273 nan 8.230 nan 0.000 0.433 452 R N -1.085 119.415 120.500 -0.001 0.000 2.170 452 R HA -0.239 4.102 4.340 0.001 0.000 0.242 452 R C 2.274 178.569 176.300 -0.008 0.000 1.145 452 R CA 1.613 57.706 56.100 -0.012 0.000 0.984 452 R CB -0.267 30.028 30.300 -0.010 0.000 0.869 452 R HN 0.483 nan 8.270 nan 0.000 0.455 453 Q N 0.458 120.259 119.800 0.001 0.000 2.008 453 Q HA -0.025 4.315 4.340 0.001 0.000 0.196 453 Q C 1.826 177.831 176.000 0.007 0.000 0.973 453 Q CA 1.466 57.271 55.803 0.003 0.000 0.826 453 Q CB -0.092 28.649 28.738 0.006 0.000 0.894 453 Q HN 0.208 nan 8.270 nan 0.000 0.439 454 I N 0.152 120.732 120.570 0.015 0.000 2.113 454 I HA -0.326 3.844 4.170 0.001 0.000 0.242 454 I C 2.206 178.345 176.117 0.037 0.000 1.057 454 I CA 1.457 62.774 61.300 0.027 0.000 1.314 454 I CB -1.318 36.706 38.000 0.041 0.000 1.022 454 I HN 0.086 nan 8.210 nan 0.000 0.408 455 V N 0.836 120.768 119.914 0.030 0.000 2.324 455 V HA -0.286 3.835 4.120 0.001 0.000 0.250 455 V C 2.546 178.641 176.094 0.002 0.000 1.060 455 V CA 1.991 64.295 62.300 0.008 0.000 1.042 455 V CB -0.639 31.128 31.823 -0.094 0.000 0.650 455 V HN 0.342 nan 8.190 nan 0.000 0.450 456 L N 0.386 121.607 121.223 -0.003 0.000 2.044 456 L HA -0.066 4.274 4.340 0.001 0.000 0.205 456 L C 2.171 179.043 176.870 0.004 0.000 1.075 456 L CA 1.660 56.498 54.840 -0.004 0.000 0.747 456 L CB -0.706 41.350 42.059 -0.006 0.000 0.903 456 L HN 0.302 nan 8.230 nan 0.000 0.435 457 N N -1.016 117.688 118.700 0.007 0.000 2.493 457 N HA -0.211 4.530 4.740 0.001 0.000 0.191 457 N C 1.443 176.961 175.510 0.013 0.000 1.041 457 N CA 1.519 54.575 53.050 0.009 0.000 0.904 457 N CB -0.674 37.818 38.487 0.009 0.000 0.948 457 N HN 0.442 nan 8.380 nan 0.000 0.446 458 C N -1.750 117.562 119.300 0.021 0.000 3.070 458 C HA 0.410 4.871 4.460 0.001 0.000 0.280 458 C C 1.628 176.632 174.990 0.022 0.000 1.264 458 C CA 0.073 59.108 59.018 0.027 0.000 1.690 458 C CB -0.573 27.201 27.740 0.057 0.000 2.049 458 C HN 0.567 nan 8.230 nan 0.000 0.636 459 G N 1.448 110.256 108.800 0.013 0.000 2.136 459 G HA2 -0.162 3.799 3.960 0.001 0.000 0.242 459 G HA3 -0.162 3.799 3.960 0.001 0.000 0.242 459 G C -0.378 174.526 174.900 0.006 0.000 0.989 459 G CA 0.038 45.143 45.100 0.008 0.000 0.682 459 G HN 0.484 nan 8.290 nan 0.000 0.522 460 E N 0.984 121.185 120.200 0.002 0.000 2.204 460 E HA 0.345 4.695 4.350 0.001 0.000 0.276 460 E C 0.468 177.045 176.600 -0.039 0.000 0.974 460 E CA -0.713 55.677 56.400 -0.016 0.000 0.815 460 E CB 0.794 30.480 29.700 -0.024 0.000 1.119 460 E HN 0.424 nan 8.360 nan 0.000 0.393 461 E N 3.241 123.417 120.200 -0.040 0.000 2.694 461 E HA -0.068 4.283 4.350 0.001 0.000 0.250 461 E C -1.706 174.852 176.600 -0.070 0.000 0.963 461 E CA -0.695 55.679 56.400 -0.042 0.000 0.949 461 E CB 0.317 29.997 29.700 -0.034 0.000 0.911 461 E HN 0.242 nan 8.360 nan 0.000 0.500 462 P HA -0.124 nan 4.420 nan 0.000 0.214 462 P C 1.489 178.754 177.300 -0.059 0.000 1.163 462 P CA 1.034 64.094 63.100 -0.067 0.000 0.881 462 P CB 0.041 31.716 31.700 -0.041 0.000 0.775 463 S N 0.191 115.869 115.700 -0.037 0.000 2.472 463 S HA -0.288 4.183 4.470 0.001 0.000 0.292 463 S C 2.034 176.614 174.600 -0.033 0.000 1.175 463 S CA 2.410 60.593 58.200 -0.028 0.000 1.249 463 S CB -2.146 61.043 63.200 -0.020 0.000 1.208 463 S HN -0.045 nan 8.310 nan 0.000 0.442 464 V N 1.651 121.542 119.914 -0.038 0.000 2.255 464 V HA -0.160 3.961 4.120 0.001 0.000 0.247 464 V C 2.696 178.764 176.094 -0.042 0.000 1.051 464 V CA 1.961 64.241 62.300 -0.033 0.000 1.018 464 V CB -0.825 30.983 31.823 -0.025 0.000 0.641 464 V HN 0.509 nan 8.190 nan 0.000 0.445 465 V N -0.029 119.823 119.914 -0.103 0.000 2.287 465 V HA -0.298 3.823 4.120 0.001 0.000 0.248 465 V C 2.644 178.709 176.094 -0.047 0.000 1.053 465 V CA 2.186 64.395 62.300 -0.151 0.000 1.027 465 V CB -1.066 30.448 31.823 -0.516 0.000 0.646 465 V HN 0.588 nan 8.190 nan 0.000 0.447 466 A N 0.540 123.328 122.820 -0.053 0.000 1.851 466 A HA -0.333 3.988 4.320 0.001 0.000 0.216 466 A C 2.048 179.635 177.584 0.005 0.000 1.195 466 A CA 2.452 54.479 52.037 -0.015 0.000 0.622 466 A CB -1.083 17.907 19.000 -0.017 0.000 0.831 466 A HN 0.685 nan 8.150 nan 0.000 0.444 467 N N -0.328 118.369 118.700 -0.005 0.000 2.069 467 N HA -0.249 4.492 4.740 0.001 0.000 0.196 467 N C 1.772 177.283 175.510 0.002 0.000 1.024 467 N CA 3.546 56.595 53.050 -0.001 0.000 0.869 467 N CB -0.555 37.926 38.487 -0.010 0.000 1.035 467 N HN 0.549 nan 8.380 nan 0.000 0.434 468 T N -2.316 112.230 114.554 -0.013 0.000 2.857 468 T HA -0.008 4.343 4.350 0.001 0.000 0.266 468 T C 1.933 176.655 174.700 0.035 0.000 1.048 468 T CA 1.327 63.399 62.100 -0.046 0.000 1.139 468 T CB -0.726 68.008 68.868 -0.224 0.000 0.874 468 T HN 0.034 nan 8.240 nan 0.000 0.455 469 V N 1.869 121.828 119.914 0.074 0.000 2.407 469 V HA -0.125 3.996 4.120 0.001 0.000 0.248 469 V C 2.863 179.036 176.094 0.131 0.000 1.055 469 V CA 1.823 64.187 62.300 0.107 0.000 1.049 469 V CB -0.594 31.281 31.823 0.088 0.000 0.662 469 V HN 0.525 nan 8.190 nan 0.000 0.455 470 K N 0.372 120.820 120.400 0.081 0.000 2.147 470 K HA -0.104 4.217 4.320 0.001 0.000 0.205 470 K C 2.130 178.773 176.600 0.070 0.000 1.049 470 K CA 1.428 57.755 56.287 0.066 0.000 0.936 470 K CB -0.557 31.966 32.500 0.037 0.000 0.722 470 K HN 0.572 nan 8.250 nan 0.000 0.446 471 G N 0.921 109.761 108.800 0.068 0.000 2.679 471 G HA2 -0.058 3.903 3.960 0.001 0.000 0.212 471 G HA3 -0.058 3.903 3.960 0.001 0.000 0.212 471 G C 0.742 175.671 174.900 0.047 0.000 1.137 471 G CA 0.575 45.701 45.100 0.043 0.000 0.787 471 G HN 0.339 nan 8.290 nan 0.000 0.534 472 G N -1.041 107.838 108.800 0.131 0.000 2.574 472 G HA2 0.527 4.488 3.960 0.001 0.000 0.248 472 G HA3 0.527 4.488 3.960 0.001 0.000 0.248 472 G C -1.008 173.939 174.900 0.078 0.000 1.422 472 G CA -0.435 44.720 45.100 0.091 0.000 1.051 472 G HN 0.130 nan 8.290 nan 0.000 0.560 473 D N -2.163 118.283 120.400 0.076 0.000 2.599 473 D HA 0.486 5.126 4.640 0.001 0.000 0.252 473 D C 0.690 177.045 176.300 0.092 0.000 1.232 473 D CA 0.636 54.671 54.000 0.058 0.000 0.819 473 D CB 2.036 42.839 40.800 0.006 0.000 1.401 473 D HN 0.922 nan 8.370 nan 0.000 0.429 474 G N 1.489 110.332 108.800 0.071 0.000 2.596 474 G HA2 -0.313 3.647 3.960 0.001 0.000 0.295 474 G HA3 -0.313 3.647 3.960 0.001 0.000 0.295 474 G C 0.318 175.278 174.900 0.099 0.000 1.240 474 G CA -0.012 45.131 45.100 0.071 0.000 0.985 474 G HN 0.563 nan 8.290 nan 0.000 0.555 475 N N 0.561 119.322 118.700 0.103 0.000 2.389 475 N HA 0.159 4.900 4.740 0.001 0.000 0.237 475 N C -0.121 175.486 175.510 0.162 0.000 1.148 475 N CA 0.129 53.243 53.050 0.107 0.000 0.854 475 N CB 0.038 38.569 38.487 0.074 0.000 1.115 475 N HN 0.457 nan 8.380 nan 0.000 0.492 476 Y N 0.949 121.281 120.300 0.053 0.000 2.377 476 Y HA 0.476 5.026 4.550 0.001 0.000 0.330 476 Y C 0.707 176.672 175.900 0.107 0.000 1.108 476 Y CA -0.354 57.792 58.100 0.076 0.000 1.308 476 Y CB 0.419 38.919 38.460 0.067 0.000 1.216 476 Y HN 0.106 nan 8.280 nan 0.000 0.518 477 G N 4.063 112.695 108.800 -0.280 0.000 2.749 477 G HA2 0.276 4.237 3.960 0.001 0.000 0.300 477 G HA3 0.276 4.237 3.960 0.001 0.000 0.300 477 G C -2.410 172.376 174.900 -0.190 0.000 1.352 477 G CA -0.906 44.069 45.100 -0.208 0.000 0.789 477 G HN 0.549 nan 8.290 nan 0.000 0.509 478 Y N 1.302 121.475 120.300 -0.213 0.000 2.331 478 Y HA 0.605 5.155 4.550 0.001 0.000 0.338 478 Y C -0.212 175.529 175.900 -0.266 0.000 0.992 478 Y CA -1.288 56.583 58.100 -0.382 0.000 1.121 478 Y CB 1.588 39.829 38.460 -0.364 0.000 1.184 478 Y HN 0.458 nan 8.280 nan 0.000 0.469 479 N N 4.669 122.935 118.700 -0.724 0.000 2.439 479 N HA 0.268 5.008 4.740 0.001 0.000 0.249 479 N C 0.219 175.240 175.510 -0.815 0.000 1.003 479 N CA 0.339 53.064 53.050 -0.542 0.000 0.942 479 N CB 1.460 39.741 38.487 -0.344 0.000 1.115 479 N HN 0.853 nan 8.380 nan 0.000 0.505 480 A N 3.884 126.410 122.820 -0.489 0.000 1.969 480 A HA 0.019 4.339 4.320 0.001 0.000 0.218 480 A C 2.009 179.457 177.584 -0.227 0.000 1.169 480 A CA 1.548 53.402 52.037 -0.306 0.000 0.635 480 A CB -0.750 18.254 19.000 0.007 0.000 0.810 480 A HN 0.748 nan 8.150 nan 0.000 0.445 481 A N -0.458 122.246 122.820 -0.193 0.000 1.972 481 A HA -0.062 4.259 4.320 0.001 0.000 0.219 481 A C 2.213 179.709 177.584 -0.146 0.000 1.169 481 A CA 2.340 54.299 52.037 -0.131 0.000 0.635 481 A CB -0.777 18.162 19.000 -0.101 0.000 0.810 481 A HN 0.849 nan 8.150 nan 0.000 0.446 482 T N -4.120 110.304 114.554 -0.216 0.000 3.040 482 T HA 0.254 4.604 4.350 0.001 0.000 0.266 482 T C 0.267 174.830 174.700 -0.229 0.000 1.005 482 T CA 0.686 62.677 62.100 -0.181 0.000 0.906 482 T CB -0.229 68.549 68.868 -0.151 0.000 1.082 482 T HN 0.594 nan 8.240 nan 0.000 0.531 483 E N 0.330 120.301 120.200 -0.382 0.000 2.883 483 E HA -0.203 4.148 4.350 0.001 0.000 0.271 483 E C -0.647 175.705 176.600 -0.413 0.000 1.049 483 E CA 0.862 57.012 56.400 -0.417 0.000 0.817 483 E CB -2.161 27.495 29.700 -0.073 0.000 1.407 483 E HN 0.749 nan 8.360 nan 0.000 0.434 484 E N -0.331 119.586 120.200 -0.472 0.000 2.202 484 E HA 0.494 4.844 4.350 0.001 0.000 0.272 484 E C -0.606 175.748 176.600 -0.410 0.000 0.951 484 E CA -0.701 55.520 56.400 -0.298 0.000 0.813 484 E CB 0.882 30.514 29.700 -0.113 0.000 1.151 484 E HN 0.068 nan 8.360 nan 0.000 0.398 485 Y N 0.518 120.800 120.300 -0.030 0.000 2.307 485 Y HA 0.645 5.195 4.550 0.001 0.000 0.324 485 Y C 1.050 176.959 175.900 0.016 0.000 1.238 485 Y CA 0.185 58.238 58.100 -0.078 0.000 1.280 485 Y CB 1.623 40.067 38.460 -0.027 0.000 1.248 485 Y HN 0.651 nan 8.280 nan 0.000 0.508 486 G N 0.779 109.666 108.800 0.144 0.000 2.325 486 G HA2 -0.001 3.959 3.960 0.001 0.000 0.295 486 G HA3 -0.001 3.959 3.960 0.001 0.000 0.295 486 G C -1.909 173.139 174.900 0.246 0.000 1.274 486 G CA -1.163 44.092 45.100 0.258 0.000 0.857 486 G HN 0.557 nan 8.290 nan 0.000 0.499 487 N N 1.212 120.028 118.700 0.193 0.000 2.437 487 N HA 0.132 4.872 4.740 0.001 0.000 0.243 487 N C 1.747 177.300 175.510 0.073 0.000 1.041 487 N CA -0.576 52.566 53.050 0.155 0.000 0.940 487 N CB 0.721 39.281 38.487 0.121 0.000 1.133 487 N HN 0.428 nan 8.380 nan 0.000 0.506 488 M N 3.333 122.963 119.600 0.049 0.000 2.195 488 M HA -0.196 4.285 4.480 0.001 0.000 0.260 488 M C 1.654 177.962 176.300 0.013 0.000 1.066 488 M CA 1.357 56.663 55.300 0.010 0.000 1.089 488 M CB -0.555 32.045 32.600 0.001 0.000 1.377 488 M HN 0.569 nan 8.290 nan 0.000 0.411 489 I N 0.462 121.048 120.570 0.027 0.000 2.353 489 I HA -0.256 3.914 4.170 0.001 0.000 0.248 489 I C 1.976 178.103 176.117 0.017 0.000 1.119 489 I CA 1.139 62.451 61.300 0.021 0.000 1.417 489 I CB -0.354 37.662 38.000 0.026 0.000 1.078 489 I HN 0.212 nan 8.210 nan 0.000 0.421 490 D N 0.509 120.923 120.400 0.024 0.000 2.144 490 D HA -0.119 4.522 4.640 0.001 0.000 0.200 490 D C 2.071 178.377 176.300 0.010 0.000 0.978 490 D CA 1.321 55.333 54.000 0.020 0.000 0.833 490 D CB -0.158 40.660 40.800 0.030 0.000 0.961 490 D HN 0.344 nan 8.370 nan 0.000 0.470 491 M N -0.301 119.301 119.600 0.004 0.000 2.659 491 M HA 0.129 4.609 4.480 0.001 0.000 0.243 491 M C 0.989 177.277 176.300 -0.020 0.000 1.111 491 M CA 0.459 55.750 55.300 -0.014 0.000 1.070 491 M CB 0.180 32.761 32.600 -0.032 0.000 1.525 491 M HN -0.013 nan 8.290 nan 0.000 0.517 492 G N 1.899 110.693 108.800 -0.010 0.000 2.273 492 G HA2 -0.214 3.746 3.960 0.001 0.000 0.280 492 G HA3 -0.214 3.746 3.960 0.001 0.000 0.280 492 G C -0.139 174.751 174.900 -0.016 0.000 1.047 492 G CA -0.215 44.879 45.100 -0.010 0.000 0.869 492 G HN 0.433 nan 8.290 nan 0.000 0.502 493 I N 0.960 121.519 120.570 -0.019 0.000 2.620 493 I HA 0.408 4.579 4.170 0.001 0.000 0.280 493 I C 0.150 176.262 176.117 -0.009 0.000 1.143 493 I CA -1.188 60.098 61.300 -0.022 0.000 1.163 493 I CB 0.126 38.101 38.000 -0.042 0.000 1.461 493 I HN 0.248 nan 8.210 nan 0.000 0.530 494 L N 1.709 122.931 121.223 -0.002 0.000 2.362 494 L HA 0.723 5.063 4.340 0.001 0.000 0.275 494 L C -0.399 176.475 176.870 0.007 0.000 0.998 494 L CA -0.561 54.282 54.840 0.005 0.000 0.820 494 L CB 1.386 43.450 42.059 0.010 0.000 1.270 494 L HN 0.012 nan 8.230 nan 0.000 0.415 495 D N 2.586 122.992 120.400 0.010 0.000 2.264 495 D HA 0.386 5.027 4.640 0.001 0.000 0.249 495 D C -2.367 173.943 176.300 0.017 0.000 1.070 495 D CA -1.227 52.780 54.000 0.012 0.000 0.912 495 D CB 1.074 41.882 40.800 0.013 0.000 1.193 495 D HN 0.409 nan 8.370 nan 0.000 0.427 496 P HA 0.030 nan 4.420 nan 0.000 0.269 496 P C 0.740 178.054 177.300 0.023 0.000 1.217 496 P CA 0.032 63.146 63.100 0.023 0.000 0.783 496 P CB 0.554 32.271 31.700 0.028 0.000 0.898 497 T N 0.165 114.733 114.554 0.023 0.000 2.812 497 T HA -0.121 4.230 4.350 0.001 0.000 0.264 497 T C 1.635 176.350 174.700 0.024 0.000 1.042 497 T CA 1.070 63.183 62.100 0.022 0.000 1.140 497 T CB -0.397 68.483 68.868 0.020 0.000 0.870 497 T HN 0.404 nan 8.240 nan 0.000 0.445 498 K N 1.056 121.472 120.400 0.028 0.000 2.030 498 K HA -0.228 4.093 4.320 0.001 0.000 0.222 498 K C 2.355 178.979 176.600 0.039 0.000 1.056 498 K CA 2.268 58.575 56.287 0.033 0.000 0.957 498 K CB -0.877 31.648 32.500 0.040 0.000 0.727 498 K HN 0.253 nan 8.250 nan 0.000 0.452 499 V N -0.178 119.758 119.914 0.036 0.000 2.332 499 V HA -0.240 3.880 4.120 0.001 0.000 0.248 499 V C 1.775 177.892 176.094 0.039 0.000 1.055 499 V CA 2.631 64.953 62.300 0.037 0.000 1.038 499 V CB -0.870 30.966 31.823 0.021 0.000 0.651 499 V HN 0.510 nan 8.190 nan 0.000 0.450 500 T N 0.666 115.238 114.554 0.031 0.000 2.746 500 T HA -0.160 4.190 4.350 0.001 0.000 0.267 500 T C 1.944 176.664 174.700 0.032 0.000 1.039 500 T CA 2.103 64.221 62.100 0.030 0.000 1.142 500 T CB -0.377 68.505 68.868 0.024 0.000 0.866 500 T HN 0.696 nan 8.240 nan 0.000 0.444 501 R N 1.060 121.576 120.500 0.027 0.000 2.070 501 R HA -0.088 4.253 4.340 0.001 0.000 0.232 501 R C 2.552 178.866 176.300 0.023 0.000 1.138 501 R CA 1.902 58.012 56.100 0.017 0.000 0.936 501 R CB -0.635 29.669 30.300 0.007 0.000 0.839 501 R HN 0.204 nan 8.270 nan 0.000 0.429 502 S N 0.993 116.721 115.700 0.047 0.000 2.368 502 S HA -0.271 4.200 4.470 0.001 0.000 0.226 502 S C 2.113 176.832 174.600 0.198 0.000 1.044 502 S CA 1.578 59.847 58.200 0.115 0.000 1.062 502 S CB -0.619 62.689 63.200 0.180 0.000 0.931 502 S HN 0.624 nan 8.310 nan 0.000 0.440 503 A N 1.378 124.281 122.820 0.138 0.000 1.896 503 A HA -0.208 4.113 4.320 0.001 0.000 0.220 503 A C 2.159 179.805 177.584 0.104 0.000 1.206 503 A CA 1.943 54.048 52.037 0.114 0.000 0.647 503 A CB -1.021 18.016 19.000 0.063 0.000 0.828 503 A HN 0.489 nan 8.150 nan 0.000 0.455 504 L N -1.358 119.902 121.223 0.061 0.000 2.093 504 L HA -0.226 4.115 4.340 0.001 0.000 0.208 504 L C 2.866 179.752 176.870 0.026 0.000 1.085 504 L CA 1.842 56.704 54.840 0.037 0.000 0.755 504 L CB -0.362 41.707 42.059 0.017 0.000 0.904 504 L HN 0.575 nan 8.230 nan 0.000 0.435 505 Q N -1.651 118.145 119.800 -0.006 0.000 2.062 505 Q HA -0.185 4.155 4.340 0.001 0.000 0.196 505 Q C 2.065 178.031 176.000 -0.056 0.000 0.967 505 Q CA 1.414 57.166 55.803 -0.086 0.000 0.832 505 Q CB -0.078 28.542 28.738 -0.196 0.000 0.899 505 Q HN 0.411 nan 8.270 nan 0.000 0.442 506 Y N 0.499 120.803 120.300 0.006 0.000 2.114 506 Y HA -0.231 4.319 4.550 0.001 0.000 0.284 506 Y C 2.404 178.307 175.900 0.006 0.000 1.143 506 Y CA 1.110 59.214 58.100 0.006 0.000 1.135 506 Y CB -0.833 37.629 38.460 0.004 0.000 0.980 506 Y HN 0.149 nan 8.280 nan 0.000 0.499 507 A N 0.209 123.138 122.820 0.182 0.000 1.915 507 A HA -0.314 4.006 4.320 0.001 0.000 0.220 507 A C 2.470 180.099 177.584 0.075 0.000 1.198 507 A CA 2.714 54.809 52.037 0.098 0.000 0.647 507 A CB -1.421 17.618 19.000 0.065 0.000 0.825 507 A HN 0.455 nan 8.150 nan 0.000 0.456 508 A N -0.861 121.993 122.820 0.056 0.000 1.898 508 A HA -0.016 4.305 4.320 0.001 0.000 0.216 508 A C 2.457 180.060 177.584 0.032 0.000 1.181 508 A CA 2.159 54.215 52.037 0.031 0.000 0.620 508 A CB -1.021 17.984 19.000 0.009 0.000 0.819 508 A HN 0.863 nan 8.150 nan 0.000 0.442 509 S N -0.389 115.334 115.700 0.039 0.000 2.398 509 S HA -0.194 4.277 4.470 0.001 0.000 0.220 509 S C 1.916 176.549 174.600 0.056 0.000 1.038 509 S CA 2.091 60.317 58.200 0.043 0.000 1.080 509 S CB -1.084 62.153 63.200 0.061 0.000 1.039 509 S HN 0.681 nan 8.310 nan 0.000 0.419 510 V N 2.411 122.373 119.914 0.081 0.000 2.313 510 V HA -0.246 3.875 4.120 0.001 0.000 0.253 510 V C 2.877 178.998 176.094 0.045 0.000 1.070 510 V CA 2.611 64.949 62.300 0.062 0.000 1.057 510 V CB -1.521 30.340 31.823 0.063 0.000 0.653 510 V HN 0.722 nan 8.190 nan 0.000 0.450 511 A N -0.491 122.354 122.820 0.042 0.000 1.908 511 A HA -0.082 4.238 4.320 0.001 0.000 0.218 511 A C 2.346 179.947 177.584 0.027 0.000 1.181 511 A CA 2.135 54.191 52.037 0.032 0.000 0.627 511 A CB -1.375 17.642 19.000 0.028 0.000 0.818 511 A HN 0.667 nan 8.150 nan 0.000 0.445 512 G N -0.299 108.517 108.800 0.026 0.000 2.434 512 G HA2 -0.095 3.865 3.960 0.001 0.000 0.214 512 G HA3 -0.095 3.865 3.960 0.001 0.000 0.214 512 G C 1.372 176.286 174.900 0.025 0.000 1.202 512 G CA 1.063 46.176 45.100 0.022 0.000 0.788 512 G HN 0.318 nan 8.290 nan 0.000 0.539 513 L N 0.517 121.758 121.223 0.029 0.000 2.082 513 L HA -0.232 4.109 4.340 0.001 0.000 0.223 513 L C 3.054 179.943 176.870 0.031 0.000 1.086 513 L CA 1.935 56.793 54.840 0.031 0.000 0.793 513 L CB -0.576 41.505 42.059 0.037 0.000 0.896 513 L HN 0.291 nan 8.230 nan 0.000 0.441 514 M N -2.107 117.511 119.600 0.030 0.000 2.200 514 M HA -0.167 4.314 4.480 0.001 0.000 0.265 514 M C 2.207 178.522 176.300 0.026 0.000 1.066 514 M CA 1.462 56.779 55.300 0.029 0.000 1.127 514 M CB -0.363 32.254 32.600 0.028 0.000 1.379 514 M HN 0.179 nan 8.290 nan 0.000 0.420 515 I N 0.290 120.874 120.570 0.023 0.000 2.567 515 I HA -0.205 3.966 4.170 0.001 0.000 0.257 515 I C 2.077 178.207 176.117 0.022 0.000 1.184 515 I CA 1.348 62.660 61.300 0.020 0.000 1.451 515 I CB -0.456 37.555 38.000 0.017 0.000 1.089 515 I HN 0.373 nan 8.210 nan 0.000 0.441 516 T N -3.944 110.625 114.554 0.024 0.000 3.145 516 T HA 0.158 4.509 4.350 0.001 0.000 0.255 516 T C 0.716 175.435 174.700 0.033 0.000 1.039 516 T CA -0.240 61.876 62.100 0.026 0.000 0.928 516 T CB -0.490 68.392 68.868 0.024 0.000 1.029 516 T HN -0.020 nan 8.240 nan 0.000 0.554 517 T N 2.820 117.395 114.554 0.035 0.000 2.794 517 T HA 0.237 4.587 4.350 0.001 0.000 0.296 517 T C 0.660 175.391 174.700 0.052 0.000 0.949 517 T CA -0.325 61.800 62.100 0.043 0.000 1.101 517 T CB 1.147 70.039 68.868 0.040 0.000 0.905 517 T HN 0.129 nan 8.240 nan 0.000 0.516 518 E N 0.610 120.854 120.200 0.072 0.000 2.490 518 E HA 0.182 4.533 4.350 0.001 0.000 0.209 518 E C 0.046 176.745 176.600 0.165 0.000 0.971 518 E CA 0.085 56.549 56.400 0.107 0.000 0.988 518 E CB 0.720 30.484 29.700 0.107 0.000 1.029 518 E HN 0.569 nan 8.360 nan 0.000 0.496 519 C N 0.675 120.039 119.300 0.106 0.000 3.006 519 C HA 0.632 5.093 4.460 0.001 0.000 0.359 519 C C -1.448 173.536 174.990 -0.011 0.000 1.103 519 C CA -0.617 58.423 59.018 0.038 0.000 1.286 519 C CB 0.258 28.073 27.740 0.125 0.000 1.694 519 C HN 0.104 nan 8.230 nan 0.000 0.511 520 M N 5.114 124.680 119.600 -0.057 0.000 2.395 520 M HA 0.644 5.125 4.480 0.001 0.000 0.307 520 M C -1.093 175.260 176.300 0.089 0.000 1.091 520 M CA -0.633 54.711 55.300 0.074 0.000 0.919 520 M CB 2.181 34.922 32.600 0.235 0.000 1.662 520 M HN 0.397 nan 8.290 nan 0.000 0.440 521 V N 1.498 121.431 119.914 0.030 0.000 2.525 521 V HA 0.732 4.852 4.120 0.001 0.000 0.299 521 V C -0.466 175.563 176.094 -0.108 0.000 1.034 521 V CA -0.324 61.958 62.300 -0.029 0.000 0.863 521 V CB 2.060 33.864 31.823 -0.032 0.000 0.999 521 V HN 0.963 nan 8.190 nan 0.000 0.423 522 T N 2.431 116.871 114.554 -0.190 0.000 2.821 522 T HA 0.429 4.779 4.350 0.001 0.000 0.306 522 T C -1.120 173.455 174.700 -0.208 0.000 1.313 522 T CA -0.541 61.396 62.100 -0.271 0.000 1.012 522 T CB 1.847 70.383 68.868 -0.552 0.000 1.298 522 T HN 0.638 nan 8.240 nan 0.000 0.502 523 D N 1.379 121.678 120.400 -0.169 0.000 2.382 523 D HA 0.312 4.952 4.640 0.001 0.000 0.240 523 D C 0.196 176.430 176.300 -0.110 0.000 1.146 523 D CA 0.067 54.000 54.000 -0.111 0.000 0.897 523 D CB 0.405 41.155 40.800 -0.084 0.000 1.197 523 D HN 0.377 nan 8.370 nan 0.000 0.432 524 L N 3.049 124.236 121.223 -0.061 0.000 2.455 524 L HA 0.178 4.519 4.340 0.001 0.000 0.272 524 L C -1.309 175.539 176.870 -0.036 0.000 1.174 524 L CA -1.560 53.259 54.840 -0.035 0.000 0.869 524 L CB -0.026 42.024 42.059 -0.015 0.000 1.130 524 L HN 0.396 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 63.090 63.100 -0.017 0.000 0.800 525 P CB 0.000 31.704 31.700 0.006 0.000 0.726