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 3jur_1_B DATA FIRST_RESID 5 DATA SEQUENCE ELAKKIEEEI LNHVREPQIP DREVNLLDFG ARGDGRTDCS ESFKRAIEEL DATA SEQUENCE SKQGGGRLIV PEGVFLTGPI HLKSNIELHV KGTIKFIPDP ERYLPVVLTR DATA SEQUENCE FEGIELYNYS PLVYALDCEN VAITGSGVLD GSADNEHWWP WKGKKDFGWK DATA SEQUENCE EGLPNQQEDV KKLKEMAERG TPVEERVFGK GHYLRPSFVQ FYRCRNVLVE DATA SEQUENCE GVKIINSPMW CIHPVLSENV IIRNIEISST GPNNDGIDPE SCKYMLIEKC DATA SEQUENCE RFDTGDDSVV IKSGRDADGR RIGVPSEYIL VRDNLVISQA SHGGLVIGSE DATA SEQUENCE MSGGVRNVVA RNNVYMNVER ALRLKTNSRR GGYMENIFFI DNVAVNVSEE DATA SEQUENCE VIRINLRYDN EEGEYLPVVR SVFVKNLKAT GGKYAVRIEG LENDYVKDIL DATA SEQUENCE ISDTIIEGAK ISVLLEFGQL GMENVIMNGS RFEKLYIEGK ALLK 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.504 176.600 -0.159 0.000 1.382 5 E CA 0.000 56.338 56.400 -0.103 0.000 0.976 5 E CB 0.000 29.654 29.700 -0.076 0.000 0.812 6 L N 1.687 122.779 121.223 -0.220 0.000 2.093 6 L HA 0.018 4.358 4.340 -0.000 0.000 0.208 6 L C 2.350 178.889 176.870 -0.551 0.000 1.085 6 L CA 2.636 57.297 54.840 -0.298 0.000 0.755 6 L CB -0.495 41.433 42.059 -0.218 0.000 0.904 6 L HN 0.581 nan 8.230 nan 0.000 0.435 7 A N -0.511 121.826 122.820 -0.805 0.000 1.883 7 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 7 A C 2.353 179.729 177.584 -0.347 0.000 1.186 7 A CA 2.078 53.625 52.037 -0.816 0.000 0.624 7 A CB -0.536 18.128 19.000 -0.560 0.000 0.822 7 A HN 0.484 nan 8.150 nan 0.000 0.444 8 K N -0.578 119.688 120.400 -0.222 0.000 2.057 8 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 8 K C 2.221 178.768 176.600 -0.089 0.000 1.049 8 K CA 1.653 57.869 56.287 -0.119 0.000 0.931 8 K CB -0.170 32.277 32.500 -0.087 0.000 0.714 8 K HN 0.451 nan 8.250 nan 0.000 0.440 9 K N 0.995 121.333 120.400 -0.104 0.000 2.026 9 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 9 K C 2.088 178.688 176.600 0.001 0.000 1.048 9 K CA 1.174 57.432 56.287 -0.048 0.000 0.929 9 K CB -0.049 32.420 32.500 -0.052 0.000 0.713 9 K HN 0.060 nan 8.250 nan 0.000 0.439 10 I N 0.686 121.239 120.570 -0.027 0.000 2.179 10 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 10 I C 2.511 178.701 176.117 0.123 0.000 1.088 10 I CA 1.418 62.777 61.300 0.097 0.000 1.357 10 I CB -0.308 37.699 38.000 0.012 0.000 1.051 10 I HN 0.339 nan 8.210 nan 0.000 0.409 11 E N 1.141 121.360 120.200 0.031 0.000 2.085 11 E HA -0.319 4.031 4.350 -0.000 0.000 0.194 11 E C 2.026 178.656 176.600 0.050 0.000 0.994 11 E CA 1.682 58.109 56.400 0.046 0.000 0.801 11 E CB 0.021 29.723 29.700 0.002 0.000 0.743 11 E HN 0.345 nan 8.360 nan 0.000 0.453 12 E N 0.817 121.032 120.200 0.025 0.000 2.058 12 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 12 E C 1.869 178.489 176.600 0.033 0.000 0.997 12 E CA 1.857 58.266 56.400 0.015 0.000 0.801 12 E CB -0.238 29.462 29.700 -0.001 0.000 0.746 12 E HN 0.327 nan 8.360 nan 0.000 0.450 13 E N 0.245 120.484 120.200 0.065 0.000 2.058 13 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 13 E C 1.989 178.655 176.600 0.111 0.000 0.997 13 E CA 1.906 58.351 56.400 0.074 0.000 0.801 13 E CB -0.464 29.269 29.700 0.055 0.000 0.746 13 E HN 0.471 nan 8.360 nan 0.000 0.450 14 I N 0.237 120.911 120.570 0.172 0.000 2.163 14 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 14 I C 2.345 178.523 176.117 0.103 0.000 1.085 14 I CA 1.071 62.509 61.300 0.231 0.000 1.347 14 I CB -0.294 37.862 38.000 0.260 0.000 1.044 14 I HN 0.168 nan 8.210 nan 0.000 0.408 15 L N 0.487 121.743 121.223 0.056 0.000 2.265 15 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 15 L C 2.038 178.872 176.870 -0.061 0.000 1.117 15 L CA 0.826 55.667 54.840 0.002 0.000 0.782 15 L CB -0.680 41.378 42.059 -0.002 0.000 0.914 15 L HN 0.332 nan 8.230 nan 0.000 0.441 16 N N -0.560 118.088 118.700 -0.086 0.000 2.396 16 N HA -0.120 4.620 4.740 -0.000 0.000 0.180 16 N C 1.047 176.268 175.510 -0.481 0.000 1.028 16 N CA 1.095 53.998 53.050 -0.244 0.000 0.893 16 N CB -0.011 38.328 38.487 -0.247 0.000 0.967 16 N HN 0.480 nan 8.380 nan 0.000 0.440 17 H N -1.717 117.150 119.070 -0.338 0.000 2.923 17 H HA 0.348 4.904 4.556 -0.000 0.000 0.268 17 H C -0.549 174.596 175.328 -0.304 0.000 1.148 17 H CA -0.165 55.589 56.048 -0.490 0.000 1.146 17 H CB 1.019 30.052 29.762 -1.214 0.000 1.607 17 H HN -0.187 nan 8.280 nan 0.000 0.566 18 V N 2.742 122.605 119.914 -0.086 0.000 2.347 18 V HA 0.443 4.563 4.120 -0.000 0.000 0.280 18 V C -0.529 175.535 176.094 -0.049 0.000 1.021 18 V CA -0.548 61.736 62.300 -0.027 0.000 0.847 18 V CB 0.989 32.827 31.823 0.025 0.000 0.990 18 V HN 0.278 nan 8.190 nan 0.000 0.444 19 R N 3.519 123.991 120.500 -0.046 0.000 2.673 19 R HA 0.479 4.819 4.340 -0.000 0.000 0.281 19 R C -0.742 175.534 176.300 -0.039 0.000 0.991 19 R CA -0.990 55.081 56.100 -0.048 0.000 0.896 19 R CB 2.182 32.446 30.300 -0.061 0.000 1.201 19 R HN 0.637 nan 8.270 nan 0.000 0.457 20 E N 3.210 123.389 120.200 -0.035 0.000 2.415 20 E HA 0.097 4.447 4.350 -0.000 0.000 0.262 20 E C -1.941 174.639 176.600 -0.033 0.000 1.038 20 E CA -0.796 55.584 56.400 -0.032 0.000 0.921 20 E CB 0.139 29.824 29.700 -0.024 0.000 0.950 20 E HN 0.210 nan 8.360 nan 0.000 0.438 21 P HA -0.000 nan 4.420 nan 0.000 0.275 21 P C -0.824 176.464 177.300 -0.020 0.000 1.227 21 P CA -0.318 62.764 63.100 -0.030 0.000 0.781 21 P CB 0.670 32.350 31.700 -0.034 0.000 0.906 22 Q N 2.317 122.106 119.800 -0.018 0.000 2.286 22 Q HA 0.279 4.619 4.340 -0.000 0.000 0.267 22 Q C 0.007 176.003 176.000 -0.007 0.000 1.028 22 Q CA 0.202 55.997 55.803 -0.013 0.000 0.901 22 Q CB 0.610 29.341 28.738 -0.013 0.000 1.183 22 Q HN 0.420 nan 8.270 nan 0.000 0.392 23 I N 4.902 125.470 120.570 -0.004 0.000 2.436 23 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 23 I C -2.078 174.039 176.117 0.001 0.000 1.010 23 I CA -2.435 58.867 61.300 0.002 0.000 1.098 23 I CB 1.312 39.316 38.000 0.006 0.000 1.266 23 I HN 0.250 nan 8.210 nan 0.000 0.434 24 P HA 0.002 nan 4.420 nan 0.000 0.266 24 P C -0.318 176.983 177.300 0.001 0.000 1.193 24 P CA -0.053 63.049 63.100 0.003 0.000 0.770 24 P CB 0.533 32.238 31.700 0.008 0.000 0.836 25 D N 2.651 123.050 120.400 -0.001 0.000 2.470 25 D HA 0.156 4.796 4.640 -0.000 0.000 0.226 25 D C -0.126 176.174 176.300 0.001 0.000 1.196 25 D CA 0.127 54.125 54.000 -0.004 0.000 0.979 25 D CB -0.485 40.312 40.800 -0.006 0.000 1.059 25 D HN 0.193 nan 8.370 nan 0.000 0.515 26 R N 2.249 122.751 120.500 0.004 0.000 2.579 26 R HA 0.277 4.617 4.340 -0.000 0.000 0.260 26 R C -1.536 174.772 176.300 0.014 0.000 1.103 26 R CA -0.710 55.398 56.100 0.012 0.000 0.942 26 R CB 1.155 31.465 30.300 0.018 0.000 1.251 26 R HN 0.387 nan 8.270 nan 0.000 0.450 27 E N 2.451 122.664 120.200 0.022 0.000 2.393 27 E HA 0.653 5.003 4.350 -0.000 0.000 0.273 27 E C -1.614 175.019 176.600 0.055 0.000 0.918 27 E CA -1.015 55.402 56.400 0.028 0.000 0.773 27 E CB 2.761 32.468 29.700 0.012 0.000 1.275 27 E HN 0.169 nan 8.360 nan 0.000 0.451 28 V N 1.435 121.391 119.914 0.071 0.000 2.971 28 V HA 0.416 4.536 4.120 -0.000 0.000 0.309 28 V C -1.223 174.945 176.094 0.123 0.000 1.130 28 V CA -0.918 61.465 62.300 0.139 0.000 0.964 28 V CB 2.308 34.240 31.823 0.181 0.000 1.029 28 V HN 0.805 nan 8.190 nan 0.000 0.427 29 N N 2.593 121.393 118.700 0.168 0.000 2.372 29 N HA 0.258 4.998 4.740 -0.000 0.000 0.291 29 N C 0.517 176.120 175.510 0.156 0.000 1.024 29 N CA -0.474 52.637 53.050 0.101 0.000 0.873 29 N CB 1.971 40.494 38.487 0.059 0.000 1.206 29 N HN 0.651 nan 8.380 nan 0.000 0.486 30 L N 4.708 125.924 121.223 -0.010 0.000 2.127 30 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 30 L C 1.883 178.771 176.870 0.030 0.000 1.089 30 L CA 1.540 56.320 54.840 -0.099 0.000 0.757 30 L CB -0.208 41.543 42.059 -0.514 0.000 0.899 30 L HN 0.672 nan 8.230 nan 0.000 0.434 31 L N -0.772 120.467 121.223 0.027 0.000 2.261 31 L HA -0.200 4.140 4.340 -0.000 0.000 0.216 31 L C 1.277 178.156 176.870 0.016 0.000 1.114 31 L CA 0.867 55.746 54.840 0.065 0.000 0.777 31 L CB -0.668 41.439 42.059 0.080 0.000 0.910 31 L HN 0.296 nan 8.230 nan 0.000 0.440 32 D N -0.706 119.679 120.400 -0.024 0.000 2.319 32 D HA 0.030 4.670 4.640 -0.000 0.000 0.230 32 D C 0.559 176.521 176.300 -0.564 0.000 1.094 32 D CA 0.622 54.464 54.000 -0.264 0.000 0.856 32 D CB 0.296 40.891 40.800 -0.341 0.000 0.915 32 D HN 0.300 nan 8.370 nan 0.000 0.517 33 F N -0.640 119.277 119.950 -0.056 0.000 2.791 33 F HA 0.305 4.832 4.527 -0.000 0.000 0.316 33 F C 1.559 177.331 175.800 -0.047 0.000 1.134 33 F CA -0.446 57.520 58.000 -0.056 0.000 1.222 33 F CB 1.076 40.026 39.000 -0.083 0.000 1.034 33 F HN -0.044 nan 8.300 nan 0.000 0.516 34 G N 0.599 109.436 108.800 0.061 0.000 2.157 34 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.239 34 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.239 34 G C 0.319 175.256 174.900 0.063 0.000 0.982 34 G CA -0.160 44.969 45.100 0.048 0.000 0.650 34 G HN 0.661 nan 8.290 nan 0.000 0.527 35 A N -0.012 122.856 122.820 0.080 0.000 2.371 35 A HA 0.817 5.137 4.320 -0.000 0.000 0.257 35 A C 0.636 178.330 177.584 0.183 0.000 1.089 35 A CA 0.091 52.210 52.037 0.136 0.000 0.794 35 A CB 0.502 19.566 19.000 0.107 0.000 1.029 35 A HN 0.495 nan 8.150 nan 0.000 0.488 36 R N 0.726 121.317 120.500 0.152 0.000 2.686 36 R HA 0.444 4.784 4.340 -0.000 0.000 0.286 36 R C 0.518 176.618 176.300 -0.333 0.000 0.969 36 R CA -0.240 55.862 56.100 0.004 0.000 0.898 36 R CB 2.112 32.388 30.300 -0.039 0.000 1.183 36 R HN 0.816 nan 8.270 nan 0.000 0.456 37 G N 1.242 109.648 108.800 -0.658 0.000 3.424 37 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.263 37 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.263 37 G C 0.348 174.921 174.900 -0.544 0.000 1.310 37 G CA -0.216 44.145 45.100 -1.232 0.000 1.089 37 G HN 0.664 nan 8.290 nan 0.000 0.534 38 D N -1.016 119.186 120.400 -0.330 0.000 2.339 38 D HA 0.126 4.766 4.640 -0.000 0.000 0.217 38 D C 1.691 177.901 176.300 -0.151 0.000 1.050 38 D CA 0.051 53.939 54.000 -0.186 0.000 0.856 38 D CB -0.388 40.342 40.800 -0.117 0.000 0.922 38 D HN 0.282 nan 8.370 nan 0.000 0.518 39 G N 0.677 109.368 108.800 -0.182 0.000 2.203 39 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.263 39 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.263 39 G C 1.035 175.892 174.900 -0.072 0.000 1.012 39 G CA 0.670 45.702 45.100 -0.114 0.000 0.749 39 G HN 0.485 nan 8.290 nan 0.000 0.512 40 R N -1.502 118.957 120.500 -0.068 0.000 2.622 40 R HA 0.102 4.442 4.340 -0.000 0.000 0.180 40 R C 0.600 176.885 176.300 -0.024 0.000 0.813 40 R CA 0.522 56.598 56.100 -0.041 0.000 1.049 40 R CB 0.102 30.379 30.300 -0.039 0.000 1.438 40 R HN 0.295 nan 8.270 nan 0.000 0.636 41 T N 2.363 116.902 114.554 -0.026 0.000 2.888 41 T HA -0.013 4.337 4.350 -0.000 0.000 0.301 41 T C -0.306 174.410 174.700 0.027 0.000 1.001 41 T CA 0.119 62.219 62.100 0.001 0.000 1.147 41 T CB 0.873 69.743 68.868 0.004 0.000 0.931 41 T HN -0.005 nan 8.240 nan 0.000 0.541 42 D N 1.635 122.055 120.400 0.033 0.000 2.339 42 D HA 0.087 4.727 4.640 -0.000 0.000 0.256 42 D C 0.219 176.567 176.300 0.080 0.000 1.214 42 D CA -0.745 53.285 54.000 0.050 0.000 0.877 42 D CB 0.302 41.122 40.800 0.034 0.000 1.111 42 D HN 0.540 nan 8.370 nan 0.000 0.478 43 C N 2.658 122.037 119.300 0.131 0.000 2.855 43 C HA 0.101 4.561 4.460 -0.000 0.000 0.279 43 C C 2.365 177.496 174.990 0.234 0.000 1.270 43 C CA -0.324 58.796 59.018 0.170 0.000 1.702 43 C CB -1.242 26.645 27.740 0.244 0.000 1.949 43 C HN 0.630 nan 8.230 nan 0.000 0.618 44 S N 1.846 117.653 115.700 0.178 0.000 2.368 44 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 44 S C 1.811 176.498 174.600 0.146 0.000 1.044 44 S CA 1.572 59.866 58.200 0.156 0.000 1.062 44 S CB -0.190 63.036 63.200 0.044 0.000 0.931 44 S HN 0.647 nan 8.310 nan 0.000 0.440 45 E N 1.254 121.509 120.200 0.091 0.000 2.150 45 E HA -0.009 4.341 4.350 -0.000 0.000 0.193 45 E C 2.376 179.014 176.600 0.063 0.000 0.985 45 E CA 0.640 57.080 56.400 0.068 0.000 0.814 45 E CB -0.507 29.226 29.700 0.054 0.000 0.752 45 E HN 0.416 nan 8.360 nan 0.000 0.466 46 S N 0.761 116.491 115.700 0.049 0.000 2.359 46 S HA -0.142 4.328 4.470 -0.000 0.000 0.224 46 S C 1.790 176.289 174.600 -0.169 0.000 1.035 46 S CA 1.119 59.300 58.200 -0.032 0.000 1.018 46 S CB -0.422 62.716 63.200 -0.104 0.000 0.876 46 S HN 0.188 nan 8.310 nan 0.000 0.448 47 F N 1.559 121.473 119.950 -0.060 0.000 2.095 47 F HA -0.102 4.425 4.527 -0.000 0.000 0.298 47 F C 2.379 178.114 175.800 -0.109 0.000 1.104 47 F CA 1.257 59.201 58.000 -0.094 0.000 1.232 47 F CB -0.478 38.496 39.000 -0.044 0.000 0.987 47 F HN 0.020 nan 8.300 nan 0.000 0.475 48 K N 0.234 120.704 120.400 0.117 0.000 2.020 48 K HA -0.166 4.154 4.320 -0.000 0.000 0.212 48 K C 2.136 178.719 176.600 -0.029 0.000 1.050 48 K CA 1.527 57.842 56.287 0.046 0.000 0.929 48 K CB -0.185 32.340 32.500 0.042 0.000 0.714 48 K HN 0.094 nan 8.250 nan 0.000 0.443 49 R N -0.474 119.987 120.500 -0.066 0.000 2.075 49 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 49 R C 2.348 178.400 176.300 -0.414 0.000 1.126 49 R CA 1.172 57.215 56.100 -0.095 0.000 0.963 49 R CB -0.469 29.887 30.300 0.093 0.000 0.858 49 R HN 0.206 nan 8.270 nan 0.000 0.435 50 A N 1.737 124.044 122.820 -0.855 0.000 1.883 50 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 50 A C 2.220 179.512 177.584 -0.486 0.000 1.186 50 A CA 1.279 52.557 52.037 -1.264 0.000 0.624 50 A CB -0.530 17.838 19.000 -1.053 0.000 0.822 50 A HN 0.168 nan 8.150 nan 0.000 0.444 51 I N -0.780 119.647 120.570 -0.238 0.000 2.226 51 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 51 I C 2.563 178.649 176.117 -0.052 0.000 1.100 51 I CA 1.719 62.972 61.300 -0.077 0.000 1.374 51 I CB -0.280 37.731 38.000 0.019 0.000 1.057 51 I HN 0.401 nan 8.210 nan 0.000 0.413 52 E N 1.426 121.593 120.200 -0.055 0.000 2.051 52 E HA -0.290 4.060 4.350 -0.000 0.000 0.192 52 E C 1.978 178.576 176.600 -0.004 0.000 0.991 52 E CA 1.750 58.143 56.400 -0.012 0.000 0.799 52 E CB -0.142 29.562 29.700 0.007 0.000 0.748 52 E HN 0.459 nan 8.360 nan 0.000 0.449 53 E N -0.247 119.938 120.200 -0.025 0.000 2.051 53 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 53 E C 2.194 178.814 176.600 0.032 0.000 0.991 53 E CA 1.322 57.748 56.400 0.044 0.000 0.799 53 E CB -0.212 29.577 29.700 0.149 0.000 0.748 53 E HN 0.335 nan 8.360 nan 0.000 0.449 54 L N 0.265 121.484 121.223 -0.008 0.000 2.017 54 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 54 L C 2.820 179.700 176.870 0.016 0.000 1.073 54 L CA 1.345 56.190 54.840 0.008 0.000 0.745 54 L CB -0.539 41.516 42.059 -0.008 0.000 0.894 54 L HN 0.199 nan 8.230 nan 0.000 0.432 55 S N -0.223 115.485 115.700 0.013 0.000 2.368 55 S HA -0.251 4.219 4.470 -0.000 0.000 0.225 55 S C 2.069 176.683 174.600 0.025 0.000 1.030 55 S CA 1.593 59.806 58.200 0.021 0.000 0.999 55 S CB -0.127 63.088 63.200 0.025 0.000 0.844 55 S HN 0.273 nan 8.310 nan 0.000 0.459 56 K N 0.330 120.746 120.400 0.027 0.000 2.127 56 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 56 K C 1.949 178.566 176.600 0.028 0.000 1.047 56 K CA 1.824 58.129 56.287 0.030 0.000 0.927 56 K CB -0.140 32.382 32.500 0.036 0.000 0.716 56 K HN 0.517 nan 8.250 nan 0.000 0.450 57 Q N -1.719 118.098 119.800 0.029 0.000 2.360 57 Q HA 0.110 4.450 4.340 -0.000 0.000 0.202 57 Q C 0.756 176.769 176.000 0.022 0.000 0.915 57 Q CA 0.497 56.316 55.803 0.026 0.000 0.943 57 Q CB 1.036 29.792 28.738 0.030 0.000 1.064 57 Q HN 0.604 nan 8.270 nan 0.000 0.511 58 G N -0.356 108.456 108.800 0.021 0.000 2.184 58 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.206 58 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.206 58 G C 0.364 175.275 174.900 0.019 0.000 0.995 58 G CA -0.308 44.803 45.100 0.019 0.000 0.651 58 G HN 0.765 nan 8.290 nan 0.000 0.511 59 G N -1.874 106.938 108.800 0.020 0.000 2.384 59 G HA2 0.622 4.582 3.960 -0.000 0.000 0.668 59 G HA3 0.622 4.582 3.960 -0.000 0.000 0.668 59 G C 0.593 175.505 174.900 0.020 0.000 1.280 59 G CA 1.005 46.117 45.100 0.021 0.000 0.992 59 G HN 2.546 nan 8.290 nan 0.000 0.512 60 G N -1.291 107.521 108.800 0.021 0.000 2.350 60 G HA2 0.589 4.549 3.960 -0.000 0.000 0.276 60 G HA3 0.589 4.549 3.960 -0.000 0.000 0.276 60 G C -1.154 173.761 174.900 0.025 0.000 1.313 60 G CA -0.122 44.990 45.100 0.020 0.000 0.903 60 G HN 1.045 nan 8.290 nan 0.000 0.490 61 R N -0.281 120.232 120.500 0.023 0.000 2.338 61 R HA 0.590 4.930 4.340 -0.000 0.000 0.317 61 R C -0.964 175.359 176.300 0.039 0.000 0.968 61 R CA -0.742 55.377 56.100 0.032 0.000 0.849 61 R CB 2.040 32.343 30.300 0.006 0.000 1.128 61 R HN 0.434 nan 8.270 nan 0.000 0.448 62 L N 4.924 126.182 121.223 0.057 0.000 2.262 62 L HA 0.361 4.701 4.340 -0.000 0.000 0.288 62 L C -0.786 176.126 176.870 0.070 0.000 1.035 62 L CA -0.590 54.272 54.840 0.038 0.000 0.820 62 L CB 0.874 42.946 42.059 0.020 0.000 1.204 62 L HN 0.481 nan 8.230 nan 0.000 0.424 63 I N 6.651 127.253 120.570 0.053 0.000 2.352 63 I HA 0.212 4.382 4.170 -0.000 0.000 0.290 63 I C -0.037 176.059 176.117 -0.035 0.000 1.036 63 I CA -0.385 60.963 61.300 0.080 0.000 1.336 63 I CB 1.138 39.191 38.000 0.088 0.000 1.407 63 I HN 0.252 nan 8.210 nan 0.000 0.497 64 V N 9.405 129.284 119.914 -0.059 0.000 2.294 64 V HA 0.275 4.395 4.120 -0.000 0.000 0.272 64 V C -1.816 174.206 176.094 -0.120 0.000 1.027 64 V CA -1.357 60.798 62.300 -0.242 0.000 0.823 64 V CB 1.106 32.804 31.823 -0.210 0.000 1.030 64 V HN 0.615 nan 8.190 nan 0.000 0.457 65 P HA 0.181 nan 4.420 nan 0.000 0.286 65 P C -0.290 177.153 177.300 0.237 0.000 1.293 65 P CA -0.464 62.699 63.100 0.105 0.000 0.770 65 P CB 0.576 32.354 31.700 0.130 0.000 1.206 66 E N -0.427 119.885 120.200 0.186 0.000 2.437 66 E HA 0.362 4.712 4.350 -0.000 0.000 0.263 66 E C 0.856 177.579 176.600 0.205 0.000 1.030 66 E CA 0.122 56.624 56.400 0.170 0.000 0.934 66 E CB -0.654 29.101 29.700 0.093 0.000 0.943 66 E HN 0.832 nan 8.360 nan 0.000 0.444 67 G N -0.027 108.844 108.800 0.119 0.000 2.347 67 G HA2 0.088 4.048 3.960 -0.000 0.000 0.341 67 G HA3 0.088 4.048 3.960 -0.000 0.000 0.341 67 G C -1.477 173.348 174.900 -0.124 0.000 1.287 67 G CA -0.488 44.554 45.100 -0.098 0.000 0.984 67 G HN 0.487 nan 8.290 nan 0.000 0.526 68 V N 0.504 120.197 119.914 -0.368 0.000 2.407 68 V HA 0.640 4.760 4.120 -0.000 0.000 0.291 68 V C -0.851 175.014 176.094 -0.382 0.000 1.018 68 V CA -0.439 61.738 62.300 -0.204 0.000 0.842 68 V CB 1.052 32.805 31.823 -0.116 0.000 0.996 68 V HN 0.591 nan 8.190 nan 0.000 0.426 69 F N 4.936 124.891 119.950 0.009 0.000 2.347 69 F HA 0.527 5.054 4.527 -0.000 0.000 0.366 69 F C 0.259 176.058 175.800 -0.002 0.000 1.107 69 F CA -0.578 57.440 58.000 0.030 0.000 1.058 69 F CB 1.202 40.259 39.000 0.094 0.000 1.236 69 F HN 0.212 nan 8.300 nan 0.000 0.456 70 L N 3.098 124.380 121.223 0.099 0.000 2.380 70 L HA 0.473 4.813 4.340 -0.000 0.000 0.273 70 L C 0.406 177.313 176.870 0.062 0.000 1.138 70 L CA 0.165 55.024 54.840 0.032 0.000 0.832 70 L CB 1.208 43.273 42.059 0.010 0.000 1.124 70 L HN 0.649 nan 8.230 nan 0.000 0.454 71 T N 1.571 116.103 114.554 -0.037 0.000 2.885 71 T HA 0.516 4.866 4.350 -0.000 0.000 0.322 71 T C 0.020 174.708 174.700 -0.020 0.000 1.387 71 T CA -0.049 62.038 62.100 -0.021 0.000 1.041 71 T CB 1.544 70.377 68.868 -0.058 0.000 1.287 71 T HN 0.722 nan 8.240 nan 0.000 0.491 72 G N 2.226 111.003 108.800 -0.039 0.000 2.489 72 G HA2 0.590 4.550 3.960 -0.000 0.000 0.271 72 G HA3 0.590 4.550 3.960 -0.000 0.000 0.271 72 G C -2.346 172.527 174.900 -0.045 0.000 1.427 72 G CA -0.970 44.026 45.100 -0.174 0.000 1.057 72 G HN 0.682 nan 8.290 nan 0.000 0.532 73 P HA 0.186 nan 4.420 nan 0.000 0.269 73 P C -0.644 176.677 177.300 0.035 0.000 1.215 73 P CA 0.205 63.320 63.100 0.024 0.000 0.780 73 P CB 1.048 32.744 31.700 -0.007 0.000 0.898 74 I N 2.691 123.356 120.570 0.160 0.000 2.339 74 I HA 0.248 4.418 4.170 -0.000 0.000 0.290 74 I C 0.751 177.053 176.117 0.307 0.000 0.994 74 I CA -0.531 60.825 61.300 0.093 0.000 1.191 74 I CB 0.581 38.544 38.000 -0.063 0.000 1.343 74 I HN 0.301 nan 8.210 nan 0.000 0.458 75 H N 6.991 126.111 119.070 0.083 0.000 2.623 75 H HA 0.421 4.977 4.556 -0.000 0.000 0.299 75 H C -0.434 174.940 175.328 0.078 0.000 1.052 75 H CA -0.842 55.275 56.048 0.114 0.000 1.231 75 H CB 1.105 30.952 29.762 0.141 0.000 1.389 75 H HN 0.366 nan 8.280 nan 0.000 0.469 76 L N 3.110 124.414 121.223 0.136 0.000 2.475 76 L HA 0.327 4.667 4.340 -0.000 0.000 0.253 76 L C 0.362 177.273 176.870 0.068 0.000 1.198 76 L CA -0.176 54.722 54.840 0.097 0.000 0.814 76 L CB 0.609 42.724 42.059 0.093 0.000 1.134 76 L HN 0.508 nan 8.230 nan 0.000 0.478 77 K N -0.233 120.209 120.400 0.069 0.000 2.466 77 K HA 0.396 4.716 4.320 -0.000 0.000 0.260 77 K C -0.957 175.674 176.600 0.051 0.000 1.011 77 K CA -0.876 55.441 56.287 0.051 0.000 0.871 77 K CB 1.993 34.524 32.500 0.051 0.000 1.404 77 K HN 0.450 nan 8.250 nan 0.000 0.450 78 S N 2.156 117.879 115.700 0.038 0.000 2.558 78 S HA -0.014 4.456 4.470 -0.000 0.000 0.288 78 S C 0.371 174.991 174.600 0.033 0.000 1.318 78 S CA 0.129 58.350 58.200 0.034 0.000 1.056 78 S CB -0.099 63.115 63.200 0.025 0.000 0.853 78 S HN 0.755 nan 8.310 nan 0.000 0.505 79 N N -0.285 118.433 118.700 0.030 0.000 2.829 79 N HA -0.144 4.596 4.740 -0.000 0.000 0.250 79 N C -1.001 174.529 175.510 0.033 0.000 1.090 79 N CA 0.611 53.676 53.050 0.025 0.000 0.781 79 N CB -1.041 37.458 38.487 0.020 0.000 1.124 79 N HN 0.380 nan 8.380 nan 0.000 0.559 80 I N 1.248 121.846 120.570 0.047 0.000 2.354 80 I HA 0.218 4.388 4.170 -0.000 0.000 0.292 80 I C 0.707 176.867 176.117 0.072 0.000 0.989 80 I CA -0.425 60.909 61.300 0.057 0.000 1.188 80 I CB 1.696 39.737 38.000 0.068 0.000 1.342 80 I HN 0.046 nan 8.210 nan 0.000 0.457 81 E N 6.209 126.450 120.200 0.069 0.000 2.113 81 E HA 0.288 4.638 4.350 -0.000 0.000 0.273 81 E C -1.341 175.327 176.600 0.113 0.000 0.924 81 E CA -0.823 55.630 56.400 0.088 0.000 0.764 81 E CB 1.565 31.307 29.700 0.070 0.000 1.104 81 E HN 0.393 nan 8.360 nan 0.000 0.406 82 L N 5.939 127.243 121.223 0.136 0.000 2.295 82 L HA 0.213 4.553 4.340 -0.000 0.000 0.288 82 L C -1.026 175.941 176.870 0.161 0.000 1.079 82 L CA -0.158 54.771 54.840 0.149 0.000 0.830 82 L CB 0.128 42.278 42.059 0.151 0.000 1.200 82 L HN 0.567 nan 8.230 nan 0.000 0.438 83 H N 3.896 123.002 119.070 0.059 0.000 2.641 83 H HA 0.506 5.062 4.556 -0.000 0.000 0.295 83 H C -1.179 174.176 175.328 0.044 0.000 1.070 83 H CA -0.533 55.543 56.048 0.046 0.000 1.257 83 H CB 0.757 30.538 29.762 0.031 0.000 1.393 83 H HN 0.377 nan 8.280 nan 0.000 0.464 84 V N 7.565 127.292 119.914 -0.312 0.000 2.333 84 V HA 0.162 4.282 4.120 -0.000 0.000 0.274 84 V C 0.793 176.730 176.094 -0.262 0.000 1.028 84 V CA -0.459 61.728 62.300 -0.187 0.000 0.851 84 V CB 1.161 32.958 31.823 -0.044 0.000 1.000 84 V HN 0.875 nan 8.190 nan 0.000 0.456 85 K N 2.955 123.254 120.400 -0.169 0.000 2.214 85 K HA 0.229 4.549 4.320 -0.000 0.000 0.201 85 K C 1.332 177.945 176.600 0.022 0.000 1.049 85 K CA 0.720 56.960 56.287 -0.078 0.000 0.978 85 K CB 0.483 32.978 32.500 -0.008 0.000 0.842 85 K HN 0.744 nan 8.250 nan 0.000 0.474 86 G N 0.717 109.571 108.800 0.090 0.000 2.582 86 G HA2 0.142 4.102 3.960 -0.000 0.000 0.232 86 G HA3 0.142 4.102 3.960 -0.000 0.000 0.232 86 G C -0.595 174.396 174.900 0.152 0.000 1.458 86 G CA -0.287 44.914 45.100 0.168 0.000 1.062 86 G HN -0.030 nan 8.290 nan 0.000 0.566 87 T N 0.807 115.476 114.554 0.192 0.000 2.771 87 T HA 0.459 4.809 4.350 -0.000 0.000 0.281 87 T C -0.024 174.801 174.700 0.209 0.000 0.982 87 T CA 0.005 62.197 62.100 0.153 0.000 0.978 87 T CB 0.930 69.857 68.868 0.098 0.000 0.930 87 T HN 0.238 nan 8.240 nan 0.000 0.447 88 I N 3.659 124.309 120.570 0.133 0.000 2.304 88 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 88 I C 0.394 176.427 176.117 -0.139 0.000 1.018 88 I CA -0.519 60.780 61.300 -0.003 0.000 1.260 88 I CB 0.858 38.781 38.000 -0.129 0.000 1.390 88 I HN 0.319 nan 8.210 nan 0.000 0.475 89 K N 7.271 127.570 120.400 -0.168 0.000 2.339 89 K HA 0.457 4.777 4.320 -0.000 0.000 0.264 89 K C -1.126 175.340 176.600 -0.223 0.000 0.986 89 K CA -0.544 55.684 56.287 -0.099 0.000 0.866 89 K CB 0.864 33.358 32.500 -0.010 0.000 1.103 89 K HN 0.243 nan 8.250 nan 0.000 0.441 90 F N 4.677 124.660 119.950 0.055 0.000 2.412 90 F HA 0.285 4.812 4.527 -0.000 0.000 0.348 90 F C 0.670 176.515 175.800 0.075 0.000 1.102 90 F CA -0.609 57.427 58.000 0.061 0.000 1.196 90 F CB 0.604 39.629 39.000 0.041 0.000 1.144 90 F HN 0.294 nan 8.300 nan 0.000 0.541 91 I N 6.081 126.789 120.570 0.230 0.000 2.436 91 I HA 0.112 4.282 4.170 -0.000 0.000 0.289 91 I C -1.644 174.625 176.117 0.254 0.000 1.083 91 I CA -1.589 59.797 61.300 0.143 0.000 1.372 91 I CB 0.583 38.628 38.000 0.076 0.000 1.408 91 I HN 0.369 nan 8.210 nan 0.000 0.516 92 P HA 0.066 nan 4.420 nan 0.000 0.226 92 P C -0.696 176.486 177.300 -0.196 0.000 1.758 92 P CA -0.034 63.043 63.100 -0.037 0.000 0.896 92 P CB -0.155 31.367 31.700 -0.297 0.000 1.784 93 D N 1.139 121.566 120.400 0.046 0.000 2.392 93 D HA 0.225 4.865 4.640 -0.000 0.000 0.228 93 D C -1.689 174.681 176.300 0.117 0.000 1.074 93 D CA -2.630 51.367 54.000 -0.004 0.000 0.838 93 D CB 1.556 42.386 40.800 0.050 0.000 1.067 93 D HN -0.104 nan 8.370 nan 0.000 0.511 94 P HA -0.127 nan 4.420 nan 0.000 0.219 94 P C 0.950 178.457 177.300 0.346 0.000 1.146 94 P CA 0.855 63.914 63.100 -0.068 0.000 0.808 94 P CB 0.358 31.874 31.700 -0.307 0.000 0.779 95 E N -0.299 120.056 120.200 0.260 0.000 2.209 95 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 95 E C 1.894 178.619 176.600 0.209 0.000 0.993 95 E CA 0.960 57.510 56.400 0.249 0.000 0.819 95 E CB -0.395 29.391 29.700 0.143 0.000 0.745 95 E HN 0.399 nan 8.360 nan 0.000 0.477 96 R N -0.212 120.384 120.500 0.160 0.000 2.235 96 R HA -0.071 4.269 4.340 -0.000 0.000 0.213 96 R C 0.939 177.127 176.300 -0.187 0.000 1.059 96 R CA 0.636 56.697 56.100 -0.065 0.000 0.997 96 R CB -0.032 30.136 30.300 -0.220 0.000 0.884 96 R HN 0.249 nan 8.270 nan 0.000 0.462 97 Y N 0.017 120.445 120.300 0.213 0.000 2.625 97 Y HA 0.269 4.819 4.550 -0.000 0.000 0.285 97 Y C 0.228 176.301 175.900 0.288 0.000 1.168 97 Y CA -0.264 57.987 58.100 0.251 0.000 1.250 97 Y CB 0.351 38.995 38.460 0.306 0.000 1.130 97 Y HN -0.125 nan 8.280 nan 0.000 0.526 98 L N 0.281 121.675 121.223 0.285 0.000 2.319 98 L HA 0.556 4.896 4.340 -0.000 0.000 0.267 98 L C -2.108 174.816 176.870 0.089 0.000 1.011 98 L CA -2.317 52.630 54.840 0.178 0.000 0.818 98 L CB 1.197 43.356 42.059 0.166 0.000 1.316 98 L HN -0.072 nan 8.230 nan 0.000 0.432 99 P HA 0.077 nan 4.420 nan 0.000 0.270 99 P C -0.787 176.552 177.300 0.065 0.000 1.223 99 P CA -0.494 62.638 63.100 0.053 0.000 0.785 99 P CB 0.348 32.072 31.700 0.040 0.000 0.923 100 V N 0.025 119.959 119.914 0.033 0.000 3.032 100 V HA 0.329 4.449 4.120 -0.000 0.000 0.307 100 V C 0.261 176.426 176.094 0.118 0.000 1.097 100 V CA -0.349 61.981 62.300 0.051 0.000 1.191 100 V CB 0.279 32.138 31.823 0.059 0.000 0.964 100 V HN 0.446 nan 8.190 nan 0.000 0.494 101 V N 1.697 121.643 119.914 0.054 0.000 3.102 101 V HA 0.716 4.836 4.120 -0.000 0.000 0.312 101 V C -0.277 175.686 176.094 -0.217 0.000 1.135 101 V CA -1.303 60.984 62.300 -0.022 0.000 1.022 101 V CB 1.644 33.212 31.823 -0.426 0.000 1.056 101 V HN 1.143 nan 8.190 nan 0.000 0.436 102 L N 2.678 123.667 121.223 -0.390 0.000 2.462 102 L HA 0.658 4.998 4.340 -0.000 0.000 0.272 102 L C 0.263 176.731 176.870 -0.669 0.000 1.166 102 L CA 1.955 56.294 54.840 -0.836 0.000 0.880 102 L CB 0.155 41.805 42.059 -0.681 0.000 1.142 102 L HN 1.289 nan 8.230 nan 0.000 0.473 103 T N 4.738 118.932 114.554 -0.601 0.000 2.630 103 T HA 0.567 4.917 4.350 -0.000 0.000 0.300 103 T C -1.325 173.318 174.700 -0.096 0.000 1.261 103 T CA -0.720 61.178 62.100 -0.336 0.000 1.060 103 T CB 0.849 69.604 68.868 -0.189 0.000 1.670 103 T HN 0.708 nan 8.240 nan 0.000 0.473 104 R N 0.042 120.586 120.500 0.074 0.000 2.626 104 R HA 0.648 4.988 4.340 -0.000 0.000 0.274 104 R C -2.135 174.189 176.300 0.040 0.000 1.031 104 R CA -0.674 55.489 56.100 0.105 0.000 0.898 104 R CB 1.745 32.184 30.300 0.231 0.000 1.222 104 R HN 0.537 nan 8.270 nan 0.000 0.455 105 F N 2.918 122.765 119.950 -0.171 0.000 2.499 105 F HA 0.262 4.789 4.527 -0.000 0.000 0.333 105 F C -0.234 175.407 175.800 -0.265 0.000 1.138 105 F CA -0.267 57.559 58.000 -0.290 0.000 0.945 105 F CB 1.305 40.133 39.000 -0.286 0.000 1.181 105 F HN 0.737 nan 8.300 nan 0.000 0.435 106 E N 4.474 124.148 120.200 -0.878 0.000 2.165 106 E HA -0.249 4.101 4.350 -0.000 0.000 0.203 106 E C 1.035 177.603 176.600 -0.054 0.000 1.335 106 E CA 0.983 57.126 56.400 -0.429 0.000 0.708 106 E CB -1.177 28.319 29.700 -0.340 0.000 1.105 106 E HN 1.222 nan 8.360 nan 0.000 0.346 107 G N -0.403 108.400 108.800 0.005 0.000 2.175 107 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.244 107 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.244 107 G C 0.242 175.170 174.900 0.047 0.000 0.982 107 G CA 0.190 45.330 45.100 0.067 0.000 0.641 107 G HN 0.396 nan 8.290 nan 0.000 0.527 108 I N 1.131 121.726 120.570 0.042 0.000 2.436 108 I HA 0.353 4.523 4.170 -0.000 0.000 0.289 108 I C 0.242 176.380 176.117 0.034 0.000 1.010 108 I CA -0.879 60.443 61.300 0.037 0.000 1.098 108 I CB 1.728 39.745 38.000 0.029 0.000 1.266 108 I HN 0.040 nan 8.210 nan 0.000 0.434 109 E N 6.639 126.861 120.200 0.036 0.000 2.373 109 E HA 0.525 4.875 4.350 -0.000 0.000 0.267 109 E C -0.771 175.808 176.600 -0.035 0.000 1.032 109 E CA -0.112 56.294 56.400 0.011 0.000 0.889 109 E CB 1.314 31.030 29.700 0.027 0.000 0.984 109 E HN 0.448 nan 8.360 nan 0.000 0.425 110 L N -0.772 120.381 121.223 -0.117 0.000 2.940 110 L HA 0.465 4.805 4.340 -0.000 0.000 0.270 110 L C -1.659 175.067 176.870 -0.240 0.000 1.030 110 L CA -1.177 53.620 54.840 -0.072 0.000 0.928 110 L CB 1.008 43.031 42.059 -0.061 0.000 1.506 110 L HN 0.354 nan 8.230 nan 0.000 0.405 111 Y N 1.462 121.769 120.300 0.013 0.000 2.326 111 Y HA 0.663 5.213 4.550 -0.000 0.000 0.337 111 Y C 0.270 176.157 175.900 -0.021 0.000 1.023 111 Y CA 0.362 58.443 58.100 -0.032 0.000 1.143 111 Y CB 1.544 39.981 38.460 -0.039 0.000 1.183 111 Y HN 0.731 nan 8.280 nan 0.000 0.485 112 N N 0.127 118.840 118.700 0.022 0.000 3.106 112 N HA 0.277 5.017 4.740 -0.000 0.000 0.253 112 N C -1.794 173.698 175.510 -0.031 0.000 1.506 112 N CA -0.982 52.050 53.050 -0.029 0.000 0.876 112 N CB 0.677 39.151 38.487 -0.021 0.000 1.452 112 N HN 0.278 nan 8.380 nan 0.000 0.542 113 Y N 0.570 120.926 120.300 0.093 0.000 3.032 113 Y HA -0.070 4.480 4.550 -0.000 0.000 0.344 113 Y C 1.379 177.280 175.900 0.003 0.000 1.273 113 Y CA 0.898 59.068 58.100 0.117 0.000 1.588 113 Y CB -0.065 38.504 38.460 0.181 0.000 1.209 113 Y HN 0.314 nan 8.280 nan 0.000 0.597 114 S N 5.367 121.200 115.700 0.222 0.000 2.552 114 S HA 0.142 4.612 4.470 -0.000 0.000 0.289 114 S C -2.237 172.382 174.600 0.030 0.000 1.304 114 S CA -1.292 56.926 58.200 0.031 0.000 1.063 114 S CB 0.278 63.603 63.200 0.209 0.000 0.848 114 S HN 0.333 nan 8.310 nan 0.000 0.499 115 P HA 0.036 nan 4.420 nan 0.000 0.269 115 P C 0.836 178.116 177.300 -0.033 0.000 1.217 115 P CA -0.123 62.928 63.100 -0.082 0.000 0.783 115 P CB 0.350 32.065 31.700 0.024 0.000 0.898 116 L N 0.292 121.371 121.223 -0.240 0.000 2.093 116 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 116 L C 0.595 177.314 176.870 -0.252 0.000 1.085 116 L CA 1.217 55.784 54.840 -0.456 0.000 0.755 116 L CB -0.408 40.806 42.059 -1.408 0.000 0.904 116 L HN 0.134 nan 8.230 nan 0.000 0.435 117 V N -0.565 119.294 119.914 -0.091 0.000 2.443 117 V HA 0.332 4.452 4.120 -0.000 0.000 0.293 117 V C -1.302 174.786 176.094 -0.010 0.000 1.021 117 V CA -0.668 61.645 62.300 0.021 0.000 0.848 117 V CB 1.635 33.472 31.823 0.024 0.000 0.998 117 V HN 0.040 nan 8.190 nan 0.000 0.424 118 Y N 3.754 123.978 120.300 -0.126 0.000 2.425 118 Y HA 0.824 5.374 4.550 -0.000 0.000 0.344 118 Y C -0.283 175.486 175.900 -0.218 0.000 0.969 118 Y CA -0.810 57.158 58.100 -0.220 0.000 1.052 118 Y CB 2.074 40.379 38.460 -0.259 0.000 1.215 118 Y HN 0.743 nan 8.280 nan 0.000 0.451 119 A N 6.279 128.684 122.820 -0.692 0.000 2.408 119 A HA 0.658 4.978 4.320 -0.000 0.000 0.295 119 A C -2.491 174.721 177.584 -0.620 0.000 1.040 119 A CA -0.575 51.156 52.037 -0.510 0.000 0.707 119 A CB 1.161 20.110 19.000 -0.084 0.000 1.235 119 A HN 0.765 nan 8.150 nan 0.000 0.418 120 L N 1.901 122.787 121.223 -0.562 0.000 2.341 120 L HA 0.656 4.996 4.340 -0.000 0.000 0.278 120 L C -0.375 176.435 176.870 -0.100 0.000 1.005 120 L CA 0.269 54.918 54.840 -0.319 0.000 0.818 120 L CB 1.092 42.964 42.059 -0.312 0.000 1.259 120 L HN 0.789 nan 8.230 nan 0.000 0.418 121 D N 2.469 122.862 120.400 -0.012 0.000 2.751 121 D HA -0.212 4.428 4.640 -0.000 0.000 0.233 121 D C -0.500 175.805 176.300 0.008 0.000 1.149 121 D CA 0.876 54.885 54.000 0.015 0.000 0.682 121 D CB -1.437 39.377 40.800 0.024 0.000 1.068 121 D HN 0.505 nan 8.370 nan 0.000 0.429 122 C N 0.670 119.975 119.300 0.009 0.000 2.365 122 C HA 0.613 5.073 4.460 -0.000 0.000 0.349 122 C C 0.734 175.736 174.990 0.021 0.000 1.191 122 C CA -0.747 58.283 59.018 0.020 0.000 2.114 122 C CB 1.609 29.368 27.740 0.033 0.000 2.367 122 C HN 0.319 nan 8.230 nan 0.000 0.530 123 E N 1.093 121.303 120.200 0.017 0.000 2.288 123 E HA 0.447 4.797 4.350 -0.000 0.000 0.268 123 E C -1.099 175.503 176.600 0.003 0.000 0.885 123 E CA -0.630 55.773 56.400 0.004 0.000 0.767 123 E CB 0.853 30.555 29.700 0.004 0.000 1.220 123 E HN 0.624 nan 8.360 nan 0.000 0.427 124 N N 0.087 118.779 118.700 -0.014 0.000 2.621 124 N HA -0.111 4.629 4.740 -0.000 0.000 0.269 124 N C -1.436 174.074 175.510 0.001 0.000 1.154 124 N CA 0.654 53.696 53.050 -0.014 0.000 0.696 124 N CB -1.259 37.226 38.487 -0.004 0.000 0.878 124 N HN 0.394 nan 8.380 nan 0.000 0.550 125 V N -0.265 119.640 119.914 -0.016 0.000 2.656 125 V HA 0.931 5.051 4.120 -0.000 0.000 0.307 125 V C 0.180 176.276 176.094 0.004 0.000 1.051 125 V CA -0.714 61.607 62.300 0.035 0.000 0.893 125 V CB 2.147 34.043 31.823 0.121 0.000 0.999 125 V HN 0.606 nan 8.190 nan 0.000 0.426 126 A N 5.168 128.028 122.820 0.068 0.000 2.414 126 A HA 0.936 5.256 4.320 -0.000 0.000 0.306 126 A C -1.140 176.526 177.584 0.137 0.000 1.054 126 A CA -0.533 51.544 52.037 0.066 0.000 0.724 126 A CB 1.378 20.405 19.000 0.045 0.000 1.267 126 A HN 0.749 nan 8.150 nan 0.000 0.418 127 I N 2.446 123.103 120.570 0.146 0.000 2.382 127 I HA 0.503 4.673 4.170 -0.000 0.000 0.286 127 I C 0.364 176.543 176.117 0.103 0.000 1.002 127 I CA -0.202 61.186 61.300 0.146 0.000 1.135 127 I CB 2.108 40.215 38.000 0.178 0.000 1.288 127 I HN 0.843 nan 8.210 nan 0.000 0.448 128 T N 1.855 116.474 114.554 0.108 0.000 2.864 128 T HA 0.967 5.317 4.350 -0.000 0.000 0.289 128 T C -0.083 174.623 174.700 0.010 0.000 1.082 128 T CA -0.421 61.747 62.100 0.112 0.000 1.009 128 T CB 2.174 71.172 68.868 0.215 0.000 1.234 128 T HN 1.133 nan 8.240 nan 0.000 0.526 129 G N 0.187 108.983 108.800 -0.007 0.000 2.462 129 G HA2 0.210 4.170 3.960 -0.000 0.000 0.685 129 G HA3 0.210 4.170 3.960 -0.000 0.000 0.685 129 G C 0.188 175.036 174.900 -0.087 0.000 1.295 129 G CA 0.150 45.120 45.100 -0.216 0.000 0.941 129 G HN 1.864 nan 8.290 nan 0.000 0.554 130 S N -0.609 115.042 115.700 -0.082 0.000 2.572 130 S HA 0.568 5.038 4.470 -0.000 0.000 0.228 130 S C 1.298 175.881 174.600 -0.028 0.000 0.963 130 S CA 0.891 59.072 58.200 -0.031 0.000 0.939 130 S CB 0.592 63.790 63.200 -0.003 0.000 0.804 130 S HN 1.829 nan 8.310 nan 0.000 0.480 131 G N 0.990 109.762 108.800 -0.046 0.000 2.494 131 G HA2 0.561 4.521 3.960 -0.000 0.000 0.270 131 G HA3 0.561 4.521 3.960 -0.000 0.000 0.270 131 G C -0.890 174.017 174.900 0.012 0.000 1.423 131 G CA -0.564 44.531 45.100 -0.009 0.000 1.055 131 G HN 0.344 nan 8.290 nan 0.000 0.536 132 V N 0.052 119.993 119.914 0.045 0.000 2.656 132 V HA 0.406 4.526 4.120 -0.000 0.000 0.307 132 V C -0.343 175.818 176.094 0.112 0.000 1.051 132 V CA -0.505 61.833 62.300 0.063 0.000 0.893 132 V CB 1.667 33.533 31.823 0.071 0.000 0.999 132 V HN 0.491 nan 8.190 nan 0.000 0.426 133 L N 3.944 125.243 121.223 0.127 0.000 2.265 133 L HA 0.578 4.918 4.340 -0.000 0.000 0.289 133 L C -0.703 176.428 176.870 0.434 0.000 1.033 133 L CA -0.255 54.764 54.840 0.298 0.000 0.814 133 L CB 1.370 43.543 42.059 0.191 0.000 1.203 133 L HN 0.577 nan 8.230 nan 0.000 0.423 134 D N 2.378 123.086 120.400 0.514 0.000 2.453 134 D HA 0.263 4.903 4.640 -0.000 0.000 0.238 134 D C 0.931 177.518 176.300 0.478 0.000 1.088 134 D CA -0.441 53.806 54.000 0.411 0.000 0.854 134 D CB 2.115 43.041 40.800 0.209 0.000 1.076 134 D HN 0.590 nan 8.370 nan 0.000 0.533 135 G N 1.388 110.411 108.800 0.372 0.000 2.744 135 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.211 135 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.211 135 G C 0.807 175.697 174.900 -0.016 0.000 1.143 135 G CA 0.355 45.384 45.100 -0.117 0.000 0.788 135 G HN 0.586 nan 8.290 nan 0.000 0.534 136 S N -1.671 114.048 115.700 0.031 0.000 3.358 136 S HA -0.199 4.271 4.470 -0.000 0.000 0.309 136 S C 0.929 175.432 174.600 -0.161 0.000 1.247 136 S CA 0.331 58.493 58.200 -0.063 0.000 0.961 136 S CB -1.819 61.341 63.200 -0.066 0.000 1.074 136 S HN 1.351 nan 8.310 nan 0.000 0.625 137 A N 1.254 123.944 122.820 -0.217 0.000 2.401 137 A HA 0.580 4.900 4.320 -0.000 0.000 0.259 137 A C 0.446 177.391 177.584 -1.065 0.000 1.103 137 A CA 0.410 52.127 52.037 -0.533 0.000 0.789 137 A CB 0.407 19.046 19.000 -0.602 0.000 1.035 137 A HN 0.605 nan 8.150 nan 0.000 0.491 138 D N 0.205 119.984 120.400 -1.036 0.000 3.103 138 D HA 0.134 4.774 4.640 -0.000 0.000 0.337 138 D C -0.015 176.182 176.300 -0.173 0.000 1.356 138 D CA -0.596 52.932 54.000 -0.788 0.000 0.951 138 D CB -0.167 40.490 40.800 -0.239 0.000 1.438 138 D HN 0.148 nan 8.370 nan 0.000 0.562 139 N N -0.513 118.285 118.700 0.162 0.000 2.573 139 N HA -0.009 4.731 4.740 -0.000 0.000 0.187 139 N C 0.382 175.960 175.510 0.112 0.000 1.107 139 N CA 0.791 54.009 53.050 0.280 0.000 0.918 139 N CB 0.046 38.688 38.487 0.258 0.000 0.966 139 N HN 0.451 nan 8.380 nan 0.000 0.448 140 E N -1.290 118.890 120.200 -0.034 0.000 2.601 140 E HA 0.102 4.452 4.350 -0.000 0.000 0.219 140 E C -0.554 175.652 176.600 -0.658 0.000 0.964 140 E CA -0.040 56.197 56.400 -0.272 0.000 1.050 140 E CB -0.071 29.445 29.700 -0.306 0.000 1.068 140 E HN 0.353 nan 8.360 nan 0.000 0.496 141 H N -1.138 117.797 119.070 -0.225 0.000 2.840 141 H HA 0.300 4.856 4.556 -0.000 0.000 0.340 141 H C -0.812 174.264 175.328 -0.419 0.000 1.004 141 H CA -0.743 55.047 56.048 -0.430 0.000 1.288 141 H CB 0.624 30.133 29.762 -0.421 0.000 1.607 141 H HN -0.038 nan 8.280 nan 0.000 0.522 142 W N -0.178 120.825 121.300 -0.495 0.000 0.542 142 W HA -0.409 4.251 4.660 -0.000 0.000 0.215 142 W C 0.941 177.328 176.519 -0.218 0.000 0.917 142 W CA 1.144 58.108 57.345 -0.636 0.000 0.358 142 W CB -1.245 27.934 29.460 -0.468 0.000 1.905 142 W HN 0.549 nan 8.180 nan 0.000 1.157 143 W N -0.038 121.306 121.300 0.074 0.000 2.350 143 W HA -0.064 4.596 4.660 -0.000 0.000 0.289 143 W C -0.500 176.146 176.519 0.212 0.000 1.215 143 W CA 1.724 59.140 57.345 0.119 0.000 1.236 143 W CB -2.706 26.834 29.460 0.134 0.000 1.130 143 W HN 0.031 nan 8.180 nan 0.000 0.541 144 P HA -0.178 nan 4.420 nan 0.000 0.221 144 P C 1.314 178.980 177.300 0.610 0.000 1.145 144 P CA 1.684 65.073 63.100 0.482 0.000 0.795 144 P CB -0.337 31.585 31.700 0.369 0.000 0.775 145 W N 0.496 121.984 121.300 0.312 0.000 2.465 145 W HA -0.043 4.617 4.660 -0.000 0.000 0.268 145 W C 2.195 178.816 176.519 0.170 0.000 1.242 145 W CA 0.643 58.146 57.345 0.263 0.000 1.248 145 W CB -1.246 28.415 29.460 0.336 0.000 1.118 145 W HN -0.010 nan 8.180 nan 0.000 0.587 146 K N 0.490 121.120 120.400 0.384 0.000 2.103 146 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 146 K C 1.747 178.360 176.600 0.022 0.000 1.048 146 K CA 2.160 58.567 56.287 0.200 0.000 0.930 146 K CB -0.669 31.922 32.500 0.151 0.000 0.716 146 K HN 0.101 nan 8.250 nan 0.000 0.444 147 G N -0.161 108.605 108.800 -0.058 0.000 2.144 147 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 147 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 147 G C -0.564 174.114 174.900 -0.371 0.000 0.988 147 G CA 0.232 44.952 45.100 -0.632 0.000 0.659 147 G HN 0.327 nan 8.290 nan 0.000 0.522 148 K N 0.240 120.694 120.400 0.091 0.000 2.213 148 K HA 0.499 4.819 4.320 -0.000 0.000 0.270 148 K C 1.252 178.062 176.600 0.351 0.000 1.002 148 K CA -0.695 55.717 56.287 0.208 0.000 0.868 148 K CB 1.336 34.005 32.500 0.281 0.000 1.093 148 K HN 0.088 nan 8.250 nan 0.000 0.454 149 K N 1.153 121.745 120.400 0.320 0.000 2.097 149 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 149 K C 0.842 177.511 176.600 0.116 0.000 1.049 149 K CA 1.380 57.832 56.287 0.274 0.000 0.933 149 K CB 0.083 32.712 32.500 0.214 0.000 0.717 149 K HN 0.523 nan 8.250 nan 0.000 0.442 150 D N -0.019 120.374 120.400 -0.011 0.000 2.190 150 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 150 D C 0.569 176.595 176.300 -0.457 0.000 0.992 150 D CA 1.240 55.055 54.000 -0.308 0.000 0.854 150 D CB 0.017 40.486 40.800 -0.551 0.000 0.936 150 D HN 0.161 nan 8.370 nan 0.000 0.462 151 F N -1.427 118.623 119.950 0.167 0.000 2.772 151 F HA 0.406 4.933 4.527 -0.000 0.000 0.302 151 F C 1.585 177.561 175.800 0.293 0.000 1.136 151 F CA -0.071 58.067 58.000 0.230 0.000 1.322 151 F CB 0.913 40.005 39.000 0.154 0.000 0.967 151 F HN -0.024 nan 8.300 nan 0.000 0.513 152 G N -0.728 108.266 108.800 0.324 0.000 2.176 152 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.232 152 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.232 152 G C 0.037 175.089 174.900 0.253 0.000 0.986 152 G CA -0.447 44.803 45.100 0.250 0.000 0.643 152 G HN 0.355 nan 8.290 nan 0.000 0.522 153 W N 2.098 123.490 121.300 0.154 0.000 2.216 153 W HA 0.673 5.333 4.660 -0.000 0.000 0.326 153 W C 0.181 176.741 176.519 0.069 0.000 1.319 153 W CA -0.128 57.289 57.345 0.120 0.000 1.213 153 W CB 0.628 30.166 29.460 0.131 0.000 1.171 153 W HN 0.026 nan 8.180 nan 0.000 0.557 154 K N 3.827 123.707 120.400 -0.865 0.000 2.203 154 K HA 0.219 4.539 4.320 -0.000 0.000 0.251 154 K C -0.841 174.853 176.600 -1.509 0.000 0.944 154 K CA -0.909 54.858 56.287 -0.867 0.000 0.829 154 K CB 1.375 33.605 32.500 -0.449 0.000 1.125 154 K HN 0.433 nan 8.250 nan 0.000 0.430 155 E N 0.313 119.919 120.200 -0.989 0.000 2.465 155 E HA 0.186 4.536 4.350 -0.000 0.000 0.260 155 E C 0.781 177.121 176.600 -0.433 0.000 0.980 155 E CA 1.935 57.910 56.400 -0.708 0.000 0.927 155 E CB 0.188 29.719 29.700 -0.281 0.000 0.934 155 E HN 0.666 nan 8.360 nan 0.000 0.459 156 G N 3.378 112.049 108.800 -0.215 0.000 2.205 156 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.261 156 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.261 156 G C -0.075 174.774 174.900 -0.086 0.000 0.980 156 G CA 0.143 45.193 45.100 -0.084 0.000 0.632 156 G HN 0.386 nan 8.290 nan 0.000 0.533 157 L N 1.804 122.915 121.223 -0.187 0.000 2.379 157 L HA 0.491 4.831 4.340 -0.000 0.000 0.269 157 L C -1.387 175.550 176.870 0.112 0.000 1.084 157 L CA -1.715 53.056 54.840 -0.114 0.000 0.802 157 L CB 0.680 42.599 42.059 -0.233 0.000 1.175 157 L HN -0.008 nan 8.230 nan 0.000 0.448 158 P HA 0.204 nan 4.420 nan 0.000 0.272 158 P C -1.257 175.892 177.300 -0.251 0.000 1.230 158 P CA -0.220 62.672 63.100 -0.346 0.000 0.788 158 P CB 0.868 31.932 31.700 -1.061 0.000 0.949 159 N N -0.951 117.580 118.700 -0.282 0.000 3.204 159 N HA 0.126 4.866 4.740 -0.000 0.000 0.285 159 N C 0.749 176.201 175.510 -0.096 0.000 1.536 159 N CA -0.826 52.130 53.050 -0.156 0.000 0.832 159 N CB 0.190 38.556 38.487 -0.202 0.000 1.645 159 N HN 0.380 nan 8.380 nan 0.000 0.586 160 Q N -0.970 118.842 119.800 0.020 0.000 2.369 160 Q HA -0.071 4.269 4.340 -0.000 0.000 0.206 160 Q C 0.894 176.884 176.000 -0.016 0.000 0.963 160 Q CA 1.032 56.852 55.803 0.027 0.000 0.894 160 Q CB -0.299 28.482 28.738 0.072 0.000 0.965 160 Q HN 0.662 nan 8.270 nan 0.000 0.475 161 Q N 0.653 120.433 119.800 -0.034 0.000 2.045 161 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 161 Q C 1.943 177.941 176.000 -0.003 0.000 0.991 161 Q CA 1.727 57.512 55.803 -0.030 0.000 0.851 161 Q CB 0.008 28.706 28.738 -0.067 0.000 0.911 161 Q HN 0.431 nan 8.270 nan 0.000 0.418 162 E N 0.694 120.903 120.200 0.014 0.000 2.077 162 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 162 E C 1.649 178.302 176.600 0.088 0.000 0.989 162 E CA 0.965 57.394 56.400 0.048 0.000 0.800 162 E CB -0.243 29.490 29.700 0.054 0.000 0.746 162 E HN 0.364 nan 8.360 nan 0.000 0.452 163 D N 0.246 120.712 120.400 0.110 0.000 2.144 163 D HA -0.093 4.547 4.640 -0.000 0.000 0.200 163 D C 2.110 178.397 176.300 -0.021 0.000 0.978 163 D CA 0.584 54.682 54.000 0.163 0.000 0.833 163 D CB -0.000 40.896 40.800 0.161 0.000 0.961 163 D HN 0.006 nan 8.370 nan 0.000 0.470 164 V N 1.455 121.313 119.914 -0.094 0.000 2.295 164 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 164 V C 2.548 178.641 176.094 -0.002 0.000 1.049 164 V CA 1.637 63.888 62.300 -0.083 0.000 1.024 164 V CB -0.441 31.383 31.823 0.001 0.000 0.648 164 V HN 0.180 nan 8.190 nan 0.000 0.447 165 K N 0.491 120.906 120.400 0.025 0.000 2.032 165 K HA -0.292 4.028 4.320 -0.000 0.000 0.209 165 K C 2.320 178.955 176.600 0.058 0.000 1.048 165 K CA 2.286 58.596 56.287 0.039 0.000 0.927 165 K CB -0.235 32.287 32.500 0.035 0.000 0.712 165 K HN 0.452 nan 8.250 nan 0.000 0.441 166 K N 0.527 120.982 120.400 0.091 0.000 2.057 166 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 166 K C 2.253 178.952 176.600 0.164 0.000 1.050 166 K CA 1.080 57.445 56.287 0.130 0.000 0.935 166 K CB -0.171 32.435 32.500 0.176 0.000 0.715 166 K HN 0.135 nan 8.250 nan 0.000 0.439 167 L N 2.057 123.372 121.223 0.153 0.000 2.012 167 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 167 L C 2.015 178.916 176.870 0.053 0.000 1.073 167 L CA 1.854 56.739 54.840 0.075 0.000 0.748 167 L CB -0.395 41.544 42.059 -0.200 0.000 0.891 167 L HN 0.125 nan 8.230 nan 0.000 0.431 168 K N -0.539 119.886 120.400 0.041 0.000 2.032 168 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 168 K C 2.001 178.627 176.600 0.043 0.000 1.048 168 K CA 2.035 58.347 56.287 0.041 0.000 0.927 168 K CB -0.227 32.298 32.500 0.041 0.000 0.712 168 K HN 0.470 nan 8.250 nan 0.000 0.441 169 E N 0.480 120.709 120.200 0.049 0.000 2.077 169 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 169 E C 2.089 178.716 176.600 0.045 0.000 0.989 169 E CA 1.302 57.728 56.400 0.044 0.000 0.800 169 E CB -0.068 29.658 29.700 0.044 0.000 0.746 169 E HN 0.267 nan 8.360 nan 0.000 0.452 170 M N 0.359 119.996 119.600 0.061 0.000 2.080 170 M HA -0.224 4.256 4.480 -0.000 0.000 0.260 170 M C 2.483 178.811 176.300 0.048 0.000 1.068 170 M CA 1.736 57.072 55.300 0.061 0.000 1.109 170 M CB -0.261 32.398 32.600 0.098 0.000 1.342 170 M HN 0.159 nan 8.290 nan 0.000 0.405 171 A N 0.017 122.864 122.820 0.045 0.000 1.902 171 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 171 A C 1.862 179.456 177.584 0.016 0.000 1.181 171 A CA 1.821 53.875 52.037 0.028 0.000 0.623 171 A CB -0.740 18.273 19.000 0.022 0.000 0.818 171 A HN 0.549 nan 8.150 nan 0.000 0.443 172 E N -0.671 119.541 120.200 0.019 0.000 2.058 172 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 172 E C 2.196 178.808 176.600 0.021 0.000 0.997 172 E CA 1.452 57.862 56.400 0.017 0.000 0.801 172 E CB -0.156 29.560 29.700 0.027 0.000 0.746 172 E HN 0.451 nan 8.360 nan 0.000 0.450 173 R N -0.675 119.840 120.500 0.025 0.000 2.285 173 R HA -0.015 4.325 4.340 -0.000 0.000 0.213 173 R C 1.090 177.403 176.300 0.022 0.000 1.068 173 R CA 0.808 56.923 56.100 0.025 0.000 1.004 173 R CB 0.003 30.318 30.300 0.024 0.000 0.873 173 R HN 0.332 nan 8.270 nan 0.000 0.467 174 G N 0.145 108.957 108.800 0.021 0.000 2.147 174 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.244 174 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.244 174 G C -0.037 174.878 174.900 0.025 0.000 1.005 174 G CA 0.376 45.488 45.100 0.021 0.000 0.713 174 G HN 0.306 nan 8.290 nan 0.000 0.515 175 T N 2.608 117.179 114.554 0.028 0.000 2.831 175 T HA 0.360 4.710 4.350 -0.000 0.000 0.291 175 T C -1.631 173.093 174.700 0.039 0.000 0.981 175 T CA 0.061 62.179 62.100 0.031 0.000 1.174 175 T CB 0.874 69.763 68.868 0.034 0.000 0.929 175 T HN 0.200 nan 8.240 nan 0.000 0.532 176 P HA 0.002 nan 4.420 nan 0.000 0.264 176 P C 1.123 178.467 177.300 0.072 0.000 1.179 176 P CA -0.117 63.011 63.100 0.048 0.000 0.763 176 P CB 0.421 32.145 31.700 0.040 0.000 0.806 177 V N 3.298 123.264 119.914 0.087 0.000 2.380 177 V HA -0.257 3.863 4.120 -0.000 0.000 0.251 177 V C 2.166 178.395 176.094 0.225 0.000 1.063 177 V CA 2.284 64.655 62.300 0.119 0.000 1.055 177 V CB -1.148 30.722 31.823 0.079 0.000 0.657 177 V HN 0.704 nan 8.190 nan 0.000 0.455 178 E N 0.707 121.032 120.200 0.209 0.000 2.418 178 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 178 E C 1.367 177.992 176.600 0.040 0.000 1.026 178 E CA 1.110 57.620 56.400 0.182 0.000 0.862 178 E CB -0.229 29.519 29.700 0.080 0.000 0.799 178 E HN 0.744 nan 8.360 nan 0.000 0.518 179 E N 0.666 120.898 120.200 0.054 0.000 2.463 179 E HA 0.126 4.476 4.350 -0.000 0.000 0.193 179 E C -0.009 176.597 176.600 0.010 0.000 1.041 179 E CA -0.185 56.217 56.400 0.004 0.000 0.879 179 E CB 0.303 30.001 29.700 -0.004 0.000 0.997 179 E HN 0.128 nan 8.360 nan 0.000 0.478 180 R N 1.316 121.876 120.500 0.100 0.000 3.436 180 R HA 0.232 4.572 4.340 -0.000 0.000 0.247 180 R C -0.915 175.501 176.300 0.192 0.000 1.434 180 R CA -0.216 55.975 56.100 0.151 0.000 1.543 180 R CB 0.843 31.292 30.300 0.248 0.000 1.289 180 R HN -0.119 nan 8.270 nan 0.000 0.664 181 V N 3.512 123.383 119.914 -0.071 0.000 2.350 181 V HA 0.308 4.428 4.120 -0.000 0.000 0.276 181 V C 0.092 175.957 176.094 -0.381 0.000 1.028 181 V CA -0.182 62.070 62.300 -0.080 0.000 0.860 181 V CB 0.507 32.246 31.823 -0.140 0.000 0.990 181 V HN 0.468 nan 8.190 nan 0.000 0.453 182 F N 2.278 122.067 119.950 -0.268 0.000 2.418 182 F HA 0.705 5.232 4.527 -0.000 0.000 0.185 182 F C 1.787 177.403 175.800 -0.306 0.000 1.209 182 F CA 0.976 58.695 58.000 -0.468 0.000 1.116 182 F CB -0.521 38.226 39.000 -0.421 0.000 1.557 182 F HN 0.702 nan 8.300 nan 0.000 0.524 183 G N 0.570 109.262 108.800 -0.179 0.000 2.531 183 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.274 183 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.274 183 G C -0.037 174.579 174.900 -0.473 0.000 1.159 183 G CA 0.098 44.786 45.100 -0.687 0.000 0.969 183 G HN 0.544 nan 8.290 nan 0.000 0.554 184 K N 2.098 122.337 120.400 -0.269 0.000 2.484 184 K HA 0.370 4.690 4.320 -0.000 0.000 0.280 184 K C 1.454 178.003 176.600 -0.084 0.000 1.013 184 K CA 1.442 57.704 56.287 -0.042 0.000 1.029 184 K CB -0.405 32.098 32.500 0.005 0.000 0.902 184 K HN 2.359 nan 8.250 nan 0.000 0.481 185 G N 2.952 111.619 108.800 -0.222 0.000 2.179 185 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.260 185 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.260 185 G C -0.257 174.116 174.900 -0.878 0.000 0.977 185 G CA 0.101 44.937 45.100 -0.441 0.000 0.641 185 G HN 0.777 nan 8.290 nan 0.000 0.533 186 H N -1.688 117.022 119.070 -0.599 0.000 2.865 186 H HA 0.523 5.079 4.556 -0.000 0.000 0.372 186 H C -0.731 174.008 175.328 -0.981 0.000 1.173 186 H CA -0.635 55.071 56.048 -0.570 0.000 1.147 186 H CB 1.376 31.099 29.762 -0.066 0.000 1.805 186 H HN 0.106 nan 8.280 nan 0.000 0.553 187 Y N 0.829 120.983 120.300 -0.244 0.000 2.736 187 Y HA 0.270 4.820 4.550 -0.000 0.000 0.293 187 Y C 0.141 175.953 175.900 -0.147 0.000 1.062 187 Y CA -0.195 57.483 58.100 -0.704 0.000 1.247 187 Y CB 0.349 38.342 38.460 -0.778 0.000 1.200 187 Y HN 0.155 nan 8.280 nan 0.000 0.552 188 L N 1.668 122.919 121.223 0.048 0.000 2.255 188 L HA 0.464 4.803 4.340 -0.000 0.000 0.289 188 L C 0.308 177.453 176.870 0.459 0.000 1.046 188 L CA -0.552 54.263 54.840 -0.043 0.000 0.816 188 L CB 0.851 42.555 42.059 -0.591 0.000 1.197 188 L HN 0.209 nan 8.230 nan 0.000 0.427 189 R N 3.896 124.736 120.500 0.567 0.000 2.643 189 R HA 0.238 4.578 4.340 -0.000 0.000 0.270 189 R C -2.168 174.176 176.300 0.074 0.000 1.061 189 R CA -1.228 55.056 56.100 0.306 0.000 1.107 189 R CB 0.227 30.639 30.300 0.187 0.000 0.999 189 R HN 0.367 nan 8.270 nan 0.000 0.460 190 P HA 0.140 nan 4.420 nan 0.000 0.281 190 P C -0.721 176.402 177.300 -0.295 0.000 1.264 190 P CA -0.496 62.453 63.100 -0.251 0.000 0.824 190 P CB 1.070 32.536 31.700 -0.388 0.000 1.092 191 S N 0.347 115.954 115.700 -0.154 0.000 2.600 191 S HA 0.159 4.629 4.470 -0.000 0.000 0.265 191 S C 0.886 175.446 174.600 -0.067 0.000 1.325 191 S CA -0.412 57.764 58.200 -0.040 0.000 1.002 191 S CB -0.010 63.310 63.200 0.199 0.000 0.921 191 S HN 0.481 nan 8.310 nan 0.000 0.554 192 F N 1.066 120.943 119.950 -0.121 0.000 2.084 192 F HA 0.176 4.703 4.527 -0.000 0.000 0.283 192 F C 0.490 176.184 175.800 -0.176 0.000 1.141 192 F CA 0.398 58.279 58.000 -0.199 0.000 1.146 192 F CB 0.081 39.006 39.000 -0.125 0.000 1.035 192 F HN 0.240 nan 8.300 nan 0.000 0.485 193 V N 2.042 122.107 119.914 0.251 0.000 2.350 193 V HA 0.258 4.378 4.120 -0.000 0.000 0.276 193 V C -0.663 175.410 176.094 -0.036 0.000 1.028 193 V CA -0.298 62.013 62.300 0.018 0.000 0.860 193 V CB 0.879 32.676 31.823 -0.043 0.000 0.990 193 V HN 0.299 nan 8.190 nan 0.000 0.453 194 Q N 4.294 123.984 119.800 -0.183 0.000 2.292 194 Q HA 0.550 4.890 4.340 -0.000 0.000 0.270 194 Q C -1.880 173.888 176.000 -0.386 0.000 1.024 194 Q CA -0.570 55.160 55.803 -0.122 0.000 0.768 194 Q CB 1.647 30.442 28.738 0.096 0.000 1.250 194 Q HN 0.632 nan 8.270 nan 0.000 0.447 195 F N 3.188 123.131 119.950 -0.011 0.000 2.385 195 F HA 0.334 4.861 4.527 -0.000 0.000 0.360 195 F C -0.754 174.986 175.800 -0.100 0.000 1.122 195 F CA -0.618 57.340 58.000 -0.070 0.000 1.090 195 F CB 0.813 39.782 39.000 -0.053 0.000 1.150 195 F HN 0.485 nan 8.300 nan 0.000 0.472 196 Y N 3.826 124.072 120.300 -0.089 0.000 2.356 196 Y HA 0.425 4.975 4.550 -0.000 0.000 0.334 196 Y C 0.410 176.269 175.900 -0.069 0.000 0.958 196 Y CA -0.960 57.080 58.100 -0.100 0.000 1.196 196 Y CB 0.604 38.987 38.460 -0.128 0.000 1.137 196 Y HN 0.597 nan 8.280 nan 0.000 0.485 197 R N 2.193 122.641 120.500 -0.085 0.000 3.336 197 R HA -0.226 4.114 4.340 -0.000 0.000 0.260 197 R C -0.916 175.393 176.300 0.014 0.000 1.032 197 R CA 0.543 56.636 56.100 -0.012 0.000 0.693 197 R CB -2.378 27.970 30.300 0.080 0.000 1.134 197 R HN 0.445 nan 8.270 nan 0.000 0.433 198 C N -0.153 119.152 119.300 0.009 0.000 2.349 198 C HA 0.687 5.147 4.460 -0.000 0.000 0.361 198 C C 0.859 175.840 174.990 -0.015 0.000 1.189 198 C CA -0.748 58.280 59.018 0.016 0.000 2.155 198 C CB 1.715 29.494 27.740 0.065 0.000 2.336 198 C HN 0.521 nan 8.230 nan 0.000 0.540 199 R N 1.563 122.050 120.500 -0.021 0.000 2.621 199 R HA 0.305 4.645 4.340 -0.000 0.000 0.284 199 R C -1.314 174.958 176.300 -0.046 0.000 0.998 199 R CA -0.216 55.870 56.100 -0.024 0.000 0.895 199 R CB 0.734 31.033 30.300 -0.002 0.000 1.195 199 R HN 0.958 nan 8.270 nan 0.000 0.450 200 N N 1.574 120.241 118.700 -0.056 0.000 2.643 200 N HA -0.127 4.613 4.740 -0.000 0.000 0.267 200 N C -1.467 173.970 175.510 -0.122 0.000 1.158 200 N CA 0.629 53.638 53.050 -0.068 0.000 0.684 200 N CB -1.027 37.434 38.487 -0.042 0.000 0.879 200 N HN 0.254 nan 8.380 nan 0.000 0.553 201 V N 1.214 121.012 119.914 -0.193 0.000 2.495 201 V HA 0.631 4.751 4.120 -0.000 0.000 0.298 201 V C 0.107 176.040 176.094 -0.269 0.000 1.031 201 V CA -0.882 61.204 62.300 -0.356 0.000 0.871 201 V CB 2.137 33.539 31.823 -0.700 0.000 0.988 201 V HN 0.394 nan 8.190 nan 0.000 0.432 202 L N 6.284 127.375 121.223 -0.219 0.000 2.356 202 L HA 0.789 5.129 4.340 -0.000 0.000 0.277 202 L C -0.847 175.982 176.870 -0.068 0.000 0.996 202 L CA -0.130 54.642 54.840 -0.113 0.000 0.822 202 L CB 2.000 44.029 42.059 -0.049 0.000 1.256 202 L HN 0.428 nan 8.230 nan 0.000 0.413 203 V N 5.096 124.993 119.914 -0.027 0.000 2.407 203 V HA 0.661 4.781 4.120 -0.000 0.000 0.291 203 V C -0.558 175.549 176.094 0.022 0.000 1.018 203 V CA -0.463 61.862 62.300 0.042 0.000 0.842 203 V CB 1.394 33.276 31.823 0.098 0.000 0.996 203 V HN 0.875 nan 8.190 nan 0.000 0.426 204 E N 3.102 123.317 120.200 0.026 0.000 2.408 204 E HA 0.733 5.083 4.350 -0.000 0.000 0.275 204 E C 0.587 177.190 176.600 0.006 0.000 0.935 204 E CA -0.302 56.105 56.400 0.011 0.000 0.775 204 E CB 2.074 31.785 29.700 0.017 0.000 1.277 204 E HN 0.853 nan 8.360 nan 0.000 0.455 205 G N 0.651 109.445 108.800 -0.010 0.000 2.396 205 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.242 205 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.242 205 G C 0.513 175.395 174.900 -0.029 0.000 1.069 205 G CA 0.375 45.467 45.100 -0.013 0.000 0.633 205 G HN 1.278 nan 8.290 nan 0.000 0.517 206 V N -0.963 118.931 119.914 -0.033 0.000 3.003 206 V HA 0.711 4.831 4.120 -0.000 0.000 0.305 206 V C 0.524 176.584 176.094 -0.056 0.000 1.078 206 V CA -0.068 62.210 62.300 -0.037 0.000 1.083 206 V CB 1.616 33.423 31.823 -0.027 0.000 1.039 206 V HN 0.561 nan 8.190 nan 0.000 0.481 207 K N 2.703 123.079 120.400 -0.041 0.000 2.159 207 K HA 0.641 4.961 4.320 -0.000 0.000 0.266 207 K C -1.097 175.472 176.600 -0.052 0.000 0.975 207 K CA -0.732 55.527 56.287 -0.046 0.000 0.865 207 K CB 1.233 33.723 32.500 -0.016 0.000 1.087 207 K HN 0.808 nan 8.250 nan 0.000 0.446 208 I N 7.147 127.665 120.570 -0.087 0.000 2.362 208 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 208 I C -0.094 176.027 176.117 0.006 0.000 0.994 208 I CA -0.944 60.278 61.300 -0.131 0.000 1.158 208 I CB 1.227 39.037 38.000 -0.317 0.000 1.315 208 I HN 0.603 nan 8.210 nan 0.000 0.451 209 I N 3.200 123.844 120.570 0.124 0.000 2.934 209 I HA 0.585 4.755 4.170 -0.000 0.000 0.306 209 I C -0.374 175.920 176.117 0.294 0.000 1.110 209 I CA -0.812 60.601 61.300 0.189 0.000 1.019 209 I CB 2.097 40.185 38.000 0.147 0.000 1.227 209 I HN 0.519 nan 8.210 nan 0.000 0.434 210 N N 1.495 120.357 118.700 0.272 0.000 2.725 210 N HA -0.185 4.555 4.740 -0.000 0.000 0.251 210 N C -0.243 175.409 175.510 0.236 0.000 1.031 210 N CA 1.073 54.249 53.050 0.209 0.000 0.720 210 N CB -1.292 37.236 38.487 0.068 0.000 0.930 210 N HN 0.798 nan 8.380 nan 0.000 0.543 211 S N 0.049 115.992 115.700 0.405 0.000 2.545 211 S HA 0.382 4.852 4.470 -0.000 0.000 0.275 211 S C -1.061 173.724 174.600 0.308 0.000 1.299 211 S CA -1.402 57.027 58.200 0.381 0.000 1.048 211 S CB 1.233 64.713 63.200 0.467 0.000 0.938 211 S HN -0.004 nan 8.310 nan 0.000 0.496 212 P HA -0.010 nan 4.420 nan 0.000 0.217 212 P C 0.584 177.950 177.300 0.109 0.000 1.150 212 P CA 1.152 64.172 63.100 -0.133 0.000 0.832 212 P CB 0.203 31.335 31.700 -0.947 0.000 0.787 213 M N -4.536 115.086 119.600 0.037 0.000 1.550 213 M HA 0.221 4.700 4.480 -0.000 0.000 0.563 213 M C -1.260 175.159 176.300 0.198 0.000 2.222 213 M CA -0.618 54.713 55.300 0.052 0.000 0.580 213 M CB 0.268 32.797 32.600 -0.118 0.000 4.294 213 M HN -0.416 nan 8.290 nan 0.000 0.822 214 W N 1.810 123.040 121.300 -0.117 0.000 2.210 214 W HA 0.247 4.907 4.660 -0.000 0.000 0.330 214 W C 0.862 177.385 176.519 0.007 0.000 1.334 214 W CA -0.968 56.310 57.345 -0.111 0.000 1.227 214 W CB -0.311 28.999 29.460 -0.250 0.000 1.178 214 W HN 0.572 nan 8.180 nan 0.000 0.560 215 C N 1.954 121.389 119.300 0.224 0.000 2.631 215 C HA 0.148 4.608 4.460 -0.000 0.000 0.283 215 C C 1.135 176.197 174.990 0.120 0.000 1.295 215 C CA 0.382 59.492 59.018 0.153 0.000 1.697 215 C CB -0.656 27.116 27.740 0.053 0.000 2.128 215 C HN 0.367 nan 8.230 nan 0.000 0.503 216 I N 0.353 121.002 120.570 0.131 0.000 2.410 216 I HA 0.268 4.438 4.170 -0.000 0.000 0.286 216 I C -0.387 175.891 176.117 0.269 0.000 1.009 216 I CA 0.165 61.567 61.300 0.170 0.000 1.111 216 I CB 0.659 38.740 38.000 0.136 0.000 1.262 216 I HN 0.453 nan 8.210 nan 0.000 0.443 217 H N 7.716 126.893 119.070 0.179 0.000 2.448 217 H HA 0.341 4.897 4.556 -0.000 0.000 0.237 217 H C -2.692 172.750 175.328 0.189 0.000 1.391 217 H CA -2.060 54.110 56.048 0.203 0.000 1.477 217 H CB 1.288 31.216 29.762 0.275 0.000 1.520 217 H HN 0.284 nan 8.280 nan 0.000 0.502 218 P HA 0.065 nan 4.420 nan 0.000 0.281 218 P C -0.587 176.689 177.300 -0.040 0.000 1.252 218 P CA -0.239 62.943 63.100 0.138 0.000 0.778 218 P CB 2.348 34.131 31.700 0.137 0.000 0.895 219 V N 5.242 125.028 119.914 -0.214 0.000 2.588 219 V HA 0.216 4.336 4.120 -0.000 0.000 0.304 219 V C 0.967 176.830 176.094 -0.385 0.000 1.042 219 V CA -0.867 61.197 62.300 -0.393 0.000 0.877 219 V CB 1.218 32.548 31.823 -0.822 0.000 0.996 219 V HN 0.479 nan 8.190 nan 0.000 0.425 220 L N 3.004 124.074 121.223 -0.255 0.000 3.737 220 L HA -0.210 4.130 4.340 -0.000 0.000 0.418 220 L C 0.430 177.230 176.870 -0.117 0.000 1.216 220 L CA 0.470 55.202 54.840 -0.180 0.000 0.915 220 L CB -1.319 40.613 42.059 -0.211 0.000 1.834 220 L HN 0.762 nan 8.230 nan 0.000 0.943 221 S N -0.876 114.772 115.700 -0.088 0.000 2.648 221 S HA 0.726 5.196 4.470 -0.000 0.000 0.305 221 S C -0.297 174.290 174.600 -0.021 0.000 1.094 221 S CA -0.686 57.484 58.200 -0.049 0.000 0.983 221 S CB 2.998 66.172 63.200 -0.044 0.000 1.101 221 S HN 0.327 nan 8.310 nan 0.000 0.514 222 E N 0.960 121.159 120.200 -0.002 0.000 2.331 222 E HA 0.404 4.754 4.350 -0.000 0.000 0.275 222 E C -1.305 175.323 176.600 0.048 0.000 0.895 222 E CA -0.520 55.909 56.400 0.048 0.000 0.753 222 E CB 0.855 30.600 29.700 0.075 0.000 1.216 222 E HN 0.595 nan 8.360 nan 0.000 0.434 223 N N 2.201 120.963 118.700 0.103 0.000 2.621 223 N HA -0.142 4.598 4.740 -0.000 0.000 0.269 223 N C -2.183 173.322 175.510 -0.008 0.000 1.154 223 N CA 0.746 53.834 53.050 0.063 0.000 0.696 223 N CB -0.933 37.573 38.487 0.031 0.000 0.878 223 N HN 0.179 nan 8.380 nan 0.000 0.550 224 V N 3.746 123.658 119.914 -0.004 0.000 2.487 224 V HA 0.589 4.709 4.120 -0.000 0.000 0.298 224 V C 0.750 176.827 176.094 -0.028 0.000 1.028 224 V CA -0.629 61.633 62.300 -0.063 0.000 0.860 224 V CB 1.698 33.480 31.823 -0.069 0.000 0.991 224 V HN 0.324 nan 8.190 nan 0.000 0.427 225 I N 5.739 126.278 120.570 -0.051 0.000 2.382 225 I HA 0.465 4.635 4.170 -0.000 0.000 0.286 225 I C -0.909 175.197 176.117 -0.018 0.000 1.002 225 I CA -0.450 60.839 61.300 -0.018 0.000 1.135 225 I CB 1.702 39.691 38.000 -0.018 0.000 1.288 225 I HN 0.334 nan 8.210 nan 0.000 0.448 226 I N 6.939 127.518 120.570 0.014 0.000 2.355 226 I HA 0.470 4.640 4.170 -0.000 0.000 0.288 226 I C -0.096 176.037 176.117 0.026 0.000 0.999 226 I CA -0.551 60.765 61.300 0.026 0.000 1.163 226 I CB 1.228 39.265 38.000 0.061 0.000 1.316 226 I HN 0.693 nan 8.210 nan 0.000 0.454 227 R N 3.535 124.039 120.500 0.007 0.000 2.584 227 R HA 0.543 4.883 4.340 -0.000 0.000 0.276 227 R C -0.546 175.743 176.300 -0.019 0.000 1.046 227 R CA -0.749 55.351 56.100 0.000 0.000 0.906 227 R CB 0.757 31.059 30.300 0.004 0.000 1.215 227 R HN 0.497 nan 8.270 nan 0.000 0.449 228 N N 0.300 118.981 118.700 -0.032 0.000 2.735 228 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 228 N C -0.395 175.074 175.510 -0.069 0.000 1.083 228 N CA 1.319 54.342 53.050 -0.045 0.000 0.703 228 N CB -1.284 37.189 38.487 -0.022 0.000 1.005 228 N HN 0.683 nan 8.380 nan 0.000 0.550 229 I N -3.036 117.467 120.570 -0.112 0.000 2.793 229 I HA 0.552 4.722 4.170 -0.000 0.000 0.313 229 I C 0.194 176.179 176.117 -0.221 0.000 0.998 229 I CA -0.758 60.458 61.300 -0.140 0.000 1.140 229 I CB 1.681 39.602 38.000 -0.132 0.000 1.327 229 I HN -0.007 nan 8.210 nan 0.000 0.491 230 E N 3.809 123.894 120.200 -0.191 0.000 2.199 230 E HA 0.442 4.792 4.350 -0.000 0.000 0.265 230 E C -1.523 174.958 176.600 -0.199 0.000 0.882 230 E CA -0.822 55.448 56.400 -0.217 0.000 0.759 230 E CB 1.569 31.197 29.700 -0.120 0.000 1.148 230 E HN 0.544 nan 8.360 nan 0.000 0.412 231 I N 3.294 123.714 120.570 -0.251 0.000 2.336 231 I HA 0.207 4.377 4.170 -0.000 0.000 0.292 231 I C -0.090 176.016 176.117 -0.019 0.000 0.991 231 I CA -0.363 60.870 61.300 -0.111 0.000 1.227 231 I CB 1.172 39.144 38.000 -0.046 0.000 1.366 231 I HN 0.396 nan 8.210 nan 0.000 0.466 232 S N 4.585 120.302 115.700 0.028 0.000 2.312 232 S HA 0.447 4.917 4.470 -0.000 0.000 0.173 232 S C -0.761 173.911 174.600 0.121 0.000 1.488 232 S CA -0.225 58.018 58.200 0.071 0.000 1.239 232 S CB 0.199 63.434 63.200 0.059 0.000 1.215 232 S HN 0.648 nan 8.310 nan 0.000 0.438 233 S N 2.080 117.861 115.700 0.136 0.000 2.652 233 S HA 0.446 4.916 4.470 -0.000 0.000 0.273 233 S C 0.007 174.678 174.600 0.120 0.000 1.172 233 S CA -0.253 58.064 58.200 0.194 0.000 1.009 233 S CB 1.105 64.447 63.200 0.237 0.000 1.094 233 S HN 0.738 nan 8.310 nan 0.000 0.471 234 T N 1.300 115.918 114.554 0.107 0.000 3.266 234 T HA 0.489 4.839 4.350 -0.000 0.000 0.278 234 T C 0.850 175.404 174.700 -0.244 0.000 1.010 234 T CA -0.001 62.096 62.100 -0.004 0.000 0.909 234 T CB 0.259 69.180 68.868 0.089 0.000 1.122 234 T HN 0.619 nan 8.240 nan 0.000 0.536 235 G N 2.292 110.709 108.800 -0.640 0.000 2.525 235 G HA2 0.597 4.557 3.960 -0.000 0.000 0.287 235 G HA3 0.597 4.557 3.960 -0.000 0.000 0.287 235 G C -2.689 171.361 174.900 -1.417 0.000 1.350 235 G CA -1.829 42.218 45.100 -1.756 0.000 1.039 235 G HN 0.229 nan 8.290 nan 0.000 0.513 236 P HA 0.137 nan 4.420 nan 0.000 0.276 236 P C -0.510 176.493 177.300 -0.494 0.000 1.243 236 P CA -0.008 62.507 63.100 -0.975 0.000 0.768 236 P CB 0.417 31.637 31.700 -0.800 0.000 0.856 237 N N 1.035 119.549 118.700 -0.310 0.000 2.714 237 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 237 N C -0.344 175.138 175.510 -0.046 0.000 1.117 237 N CA 0.453 53.435 53.050 -0.114 0.000 0.719 237 N CB -2.139 36.366 38.487 0.030 0.000 1.081 237 N HN 0.583 nan 8.380 nan 0.000 0.557 238 N N 1.091 119.684 118.700 -0.178 0.000 3.103 238 N HA 0.009 4.749 4.740 -0.000 0.000 0.305 238 N C -0.912 174.546 175.510 -0.087 0.000 1.232 238 N CA -0.394 52.614 53.050 -0.070 0.000 1.190 238 N CB 0.228 38.663 38.487 -0.087 0.000 1.461 238 N HN 0.239 nan 8.380 nan 0.000 0.538 239 D N -0.045 120.276 120.400 -0.131 0.000 2.423 239 D HA -0.001 4.639 4.640 -0.000 0.000 0.238 239 D C 1.445 177.677 176.300 -0.114 0.000 1.142 239 D CA 0.132 53.966 54.000 -0.277 0.000 0.884 239 D CB 0.896 41.257 40.800 -0.731 0.000 1.199 239 D HN 0.350 nan 8.370 nan 0.000 0.438 240 G N 1.132 109.891 108.800 -0.068 0.000 2.551 240 G HA2 0.084 4.044 3.960 -0.000 0.000 0.214 240 G HA3 0.084 4.044 3.960 -0.000 0.000 0.214 240 G C 0.393 175.350 174.900 0.095 0.000 1.250 240 G CA 0.175 45.344 45.100 0.115 0.000 0.825 240 G HN 0.500 nan 8.290 nan 0.000 0.549 241 I N 0.653 121.249 120.570 0.043 0.000 2.466 241 I HA 0.317 4.487 4.170 -0.000 0.000 0.289 241 I C -1.792 174.263 176.117 -0.105 0.000 1.026 241 I CA -0.581 60.741 61.300 0.037 0.000 1.078 241 I CB 2.630 40.710 38.000 0.133 0.000 1.249 241 I HN 0.025 nan 8.210 nan 0.000 0.429 242 D N 7.449 127.794 120.400 -0.091 0.000 2.456 242 D HA 0.256 4.896 4.640 -0.000 0.000 0.287 242 D C -2.578 173.742 176.300 0.033 0.000 1.186 242 D CA -1.160 52.726 54.000 -0.190 0.000 0.916 242 D CB 0.843 41.351 40.800 -0.486 0.000 1.029 242 D HN 0.162 nan 8.370 nan 0.000 0.498 243 P HA 0.029 nan 4.420 nan 0.000 0.264 243 P C -0.495 176.817 177.300 0.021 0.000 1.229 243 P CA 0.115 63.235 63.100 0.034 0.000 0.780 243 P CB 0.453 32.155 31.700 0.004 0.000 0.808 244 E N 2.297 122.537 120.200 0.065 0.000 2.145 244 E HA 0.281 4.631 4.350 -0.000 0.000 0.262 244 E C -0.378 176.204 176.600 -0.030 0.000 0.883 244 E CA -0.555 55.873 56.400 0.047 0.000 0.748 244 E CB 0.295 30.111 29.700 0.194 0.000 1.140 244 E HN 0.266 nan 8.360 nan 0.000 0.417 245 S N 1.569 117.239 115.700 -0.050 0.000 3.581 245 S HA -0.191 4.279 4.470 -0.000 0.000 0.354 245 S C -0.151 174.407 174.600 -0.069 0.000 1.059 245 S CA 0.632 58.790 58.200 -0.070 0.000 1.060 245 S CB -1.974 61.179 63.200 -0.078 0.000 0.908 245 S HN 0.585 nan 8.310 nan 0.000 0.475 246 C N 1.380 120.647 119.300 -0.054 0.000 2.364 246 C HA 0.722 5.182 4.460 -0.000 0.000 0.356 246 C C 0.702 175.659 174.990 -0.055 0.000 1.201 246 C CA -0.697 58.294 59.018 -0.045 0.000 2.227 246 C CB 1.372 29.099 27.740 -0.021 0.000 2.387 246 C HN 0.601 nan 8.230 nan 0.000 0.546 247 K N 1.197 121.561 120.400 -0.060 0.000 2.397 247 K HA 0.461 4.781 4.320 -0.000 0.000 0.253 247 K C -1.678 174.882 176.600 -0.067 0.000 0.932 247 K CA -0.291 55.901 56.287 -0.158 0.000 0.795 247 K CB 0.722 33.094 32.500 -0.215 0.000 1.159 247 K HN 0.709 nan 8.250 nan 0.000 0.424 248 Y N 1.236 121.588 120.300 0.087 0.000 2.908 248 Y HA -0.249 4.301 4.550 -0.000 0.000 0.107 248 Y C -0.686 175.240 175.900 0.042 0.000 1.948 248 Y CA 0.709 58.845 58.100 0.060 0.000 1.029 248 Y CB -1.143 37.326 38.460 0.015 0.000 1.668 248 Y HN 0.658 nan 8.280 nan 0.000 0.326 249 M N 3.315 123.023 119.600 0.180 0.000 2.446 249 M HA 0.757 5.237 4.480 -0.000 0.000 0.294 249 M C -2.025 174.336 176.300 0.102 0.000 1.158 249 M CA -1.283 54.081 55.300 0.106 0.000 0.899 249 M CB 1.588 34.228 32.600 0.067 0.000 1.687 249 M HN 0.394 nan 8.290 nan 0.000 0.455 250 L N 6.131 127.399 121.223 0.074 0.000 2.349 250 L HA 0.687 5.027 4.340 -0.000 0.000 0.278 250 L C -1.867 175.040 176.870 0.061 0.000 0.996 250 L CA -0.203 54.677 54.840 0.067 0.000 0.825 250 L CB 1.609 43.699 42.059 0.052 0.000 1.243 250 L HN 0.734 nan 8.230 nan 0.000 0.412 251 I N 5.452 126.067 120.570 0.075 0.000 2.382 251 I HA 0.502 4.672 4.170 -0.000 0.000 0.286 251 I C -0.696 175.477 176.117 0.094 0.000 1.002 251 I CA -0.326 61.032 61.300 0.097 0.000 1.135 251 I CB 1.499 39.578 38.000 0.132 0.000 1.288 251 I HN 0.720 nan 8.210 nan 0.000 0.448 252 E N 6.190 126.437 120.200 0.078 0.000 2.372 252 E HA 0.435 4.785 4.350 -0.000 0.000 0.279 252 E C -0.870 175.753 176.600 0.038 0.000 0.946 252 E CA -0.957 55.477 56.400 0.057 0.000 0.769 252 E CB 1.709 31.429 29.700 0.033 0.000 1.230 252 E HN 0.287 nan 8.360 nan 0.000 0.442 253 K N -0.200 120.217 120.400 0.029 0.000 3.129 253 K HA -0.130 4.190 4.320 -0.000 0.000 0.273 253 K C -0.773 175.811 176.600 -0.026 0.000 1.123 253 K CA 0.810 57.098 56.287 0.001 0.000 0.800 253 K CB -2.680 29.816 32.500 -0.007 0.000 1.238 253 K HN 0.687 nan 8.250 nan 0.000 0.492 254 C N 0.316 119.605 119.300 -0.017 0.000 2.358 254 C HA 0.634 5.094 4.460 -0.000 0.000 0.354 254 C C 0.916 175.765 174.990 -0.235 0.000 1.183 254 C CA -0.888 58.018 59.018 -0.187 0.000 2.150 254 C CB 1.498 29.065 27.740 -0.289 0.000 2.361 254 C HN 0.451 nan 8.230 nan 0.000 0.535 255 R N 0.735 120.981 120.500 -0.424 0.000 2.494 255 R HA 0.685 5.025 4.340 -0.000 0.000 0.305 255 R C -1.897 174.131 176.300 -0.454 0.000 0.959 255 R CA -0.126 55.817 56.100 -0.262 0.000 0.864 255 R CB 0.341 30.565 30.300 -0.128 0.000 1.159 255 R HN 0.579 nan 8.270 nan 0.000 0.446 256 F N 2.366 122.323 119.950 0.012 0.000 2.518 256 F HA 0.349 4.876 4.527 -0.000 0.000 0.323 256 F C -0.421 175.400 175.800 0.035 0.000 1.129 256 F CA -0.779 57.234 58.000 0.023 0.000 0.920 256 F CB 2.265 41.286 39.000 0.034 0.000 1.160 256 F HN 0.433 nan 8.300 nan 0.000 0.440 257 D N 2.298 122.811 120.400 0.187 0.000 2.473 257 D HA 0.362 5.002 4.640 -0.000 0.000 0.253 257 D C -0.943 175.437 176.300 0.133 0.000 1.233 257 D CA -0.217 53.872 54.000 0.148 0.000 0.908 257 D CB 1.378 42.242 40.800 0.106 0.000 1.170 257 D HN 0.562 nan 8.370 nan 0.000 0.558 258 T N -0.467 114.157 114.554 0.116 0.000 2.893 258 T HA 0.619 4.969 4.350 -0.000 0.000 0.291 258 T C 1.083 175.783 174.700 0.000 0.000 1.028 258 T CA -0.759 61.377 62.100 0.060 0.000 0.995 258 T CB 1.757 70.652 68.868 0.044 0.000 1.051 258 T HN 0.157 nan 8.240 nan 0.000 0.470 259 G N 0.071 108.826 108.800 -0.075 0.000 2.880 259 G HA2 0.199 4.159 3.960 -0.000 0.000 0.209 259 G HA3 0.199 4.159 3.960 -0.000 0.000 0.209 259 G C 0.238 174.947 174.900 -0.319 0.000 1.157 259 G CA 0.070 45.079 45.100 -0.151 0.000 0.779 259 G HN 0.808 nan 8.290 nan 0.000 0.539 260 D N -0.889 119.294 120.400 -0.361 0.000 3.402 260 D HA 0.099 4.739 4.640 -0.000 0.000 0.287 260 D C -1.066 175.040 176.300 -0.323 0.000 1.365 260 D CA -0.567 53.048 54.000 -0.641 0.000 1.012 260 D CB 0.798 41.287 40.800 -0.518 0.000 1.325 260 D HN -0.153 nan 8.370 nan 0.000 0.627 261 D N 0.556 120.787 120.400 -0.282 0.000 2.488 261 D HA 0.073 4.713 4.640 -0.000 0.000 0.238 261 D C 0.764 176.933 176.300 -0.218 0.000 1.138 261 D CA 0.400 54.275 54.000 -0.209 0.000 0.873 261 D CB 1.448 42.093 40.800 -0.257 0.000 1.183 261 D HN 0.100 nan 8.370 nan 0.000 0.458 262 S N 0.566 116.148 115.700 -0.197 0.000 2.317 262 S HA 0.017 4.487 4.470 -0.000 0.000 0.212 262 S C 0.873 175.253 174.600 -0.367 0.000 1.030 262 S CA 0.188 58.236 58.200 -0.254 0.000 0.970 262 S CB 0.355 63.377 63.200 -0.298 0.000 0.928 262 S HN 0.319 nan 8.310 nan 0.000 0.451 263 V N 1.988 121.673 119.914 -0.380 0.000 2.384 263 V HA 0.659 4.779 4.120 -0.000 0.000 0.287 263 V C -0.771 175.186 176.094 -0.228 0.000 1.020 263 V CA -0.464 61.664 62.300 -0.287 0.000 0.850 263 V CB 1.399 33.067 31.823 -0.258 0.000 0.987 263 V HN 0.213 nan 8.190 nan 0.000 0.436 264 V N 7.333 127.101 119.914 -0.243 0.000 2.569 264 V HA 0.580 4.700 4.120 -0.000 0.000 0.301 264 V C -0.670 175.278 176.094 -0.243 0.000 1.044 264 V CA -0.331 61.807 62.300 -0.269 0.000 0.874 264 V CB 1.802 33.405 31.823 -0.367 0.000 1.002 264 V HN 0.763 nan 8.190 nan 0.000 0.424 265 I N 7.342 127.801 120.570 -0.186 0.000 2.331 265 I HA 0.523 4.693 4.170 -0.000 0.000 0.292 265 I C 0.179 176.203 176.117 -0.156 0.000 0.998 265 I CA -0.271 60.944 61.300 -0.142 0.000 1.267 265 I CB 1.153 39.094 38.000 -0.098 0.000 1.386 265 I HN 0.553 nan 8.210 nan 0.000 0.476 266 K N 3.426 123.750 120.400 -0.127 0.000 2.409 266 K HA 0.677 4.997 4.320 -0.000 0.000 0.252 266 K C -0.400 176.153 176.600 -0.078 0.000 1.036 266 K CA -0.788 55.434 56.287 -0.108 0.000 0.871 266 K CB 2.149 34.600 32.500 -0.082 0.000 1.374 266 K HN 0.603 nan 8.250 nan 0.000 0.459 267 S N -0.839 114.817 115.700 -0.073 0.000 2.586 267 S HA 0.394 4.864 4.470 -0.000 0.000 0.218 267 S C -0.048 174.514 174.600 -0.063 0.000 0.761 267 S CA -0.308 57.845 58.200 -0.077 0.000 0.999 267 S CB 0.226 63.347 63.200 -0.132 0.000 1.634 267 S HN 1.190 nan 8.310 nan 0.000 0.482 268 G N 1.490 110.279 108.800 -0.018 0.000 2.730 268 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.686 268 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.686 268 G C -0.832 174.052 174.900 -0.027 0.000 1.343 268 G CA -0.600 44.495 45.100 -0.009 0.000 0.826 268 G HN 0.773 nan 8.290 nan 0.000 0.582 269 R N 1.134 121.626 120.500 -0.014 0.000 2.437 269 R HA 0.538 4.878 4.340 -0.000 0.000 0.310 269 R C 0.595 176.872 176.300 -0.038 0.000 0.955 269 R CA 0.296 56.385 56.100 -0.018 0.000 0.851 269 R CB 0.788 31.097 30.300 0.015 0.000 1.161 269 R HN 0.812 nan 8.270 nan 0.000 0.446 270 D N 2.078 122.441 120.400 -0.061 0.000 3.528 270 D HA -0.334 4.306 4.640 -0.000 0.000 0.163 270 D C 0.955 177.164 176.300 -0.151 0.000 1.069 270 D CA 1.882 55.822 54.000 -0.100 0.000 1.082 270 D CB -1.108 39.660 40.800 -0.053 0.000 0.538 270 D HN 0.603 nan 8.370 nan 0.000 0.579 271 A N 0.186 122.918 122.820 -0.146 0.000 1.933 271 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 271 A C 1.869 179.403 177.584 -0.084 0.000 1.175 271 A CA 2.859 54.808 52.037 -0.147 0.000 0.628 271 A CB -0.657 18.282 19.000 -0.102 0.000 0.814 271 A HN 0.551 nan 8.150 nan 0.000 0.444 272 D N -0.672 119.700 120.400 -0.048 0.000 2.104 272 D HA -0.062 4.578 4.640 -0.000 0.000 0.194 272 D C 2.066 178.349 176.300 -0.030 0.000 0.994 272 D CA 1.727 55.714 54.000 -0.022 0.000 0.830 272 D CB -0.411 40.389 40.800 -0.000 0.000 0.959 272 D HN 0.328 nan 8.370 nan 0.000 0.452 273 G N -0.176 108.597 108.800 -0.045 0.000 2.440 273 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 273 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 273 G C 1.717 176.575 174.900 -0.070 0.000 1.154 273 G CA 0.564 45.631 45.100 -0.056 0.000 0.767 273 G HN 0.231 nan 8.290 nan 0.000 0.552 274 R N -0.293 120.152 120.500 -0.092 0.000 2.090 274 R HA 0.070 4.410 4.340 -0.000 0.000 0.228 274 R C 2.618 178.888 176.300 -0.049 0.000 1.110 274 R CA 0.853 56.901 56.100 -0.087 0.000 0.973 274 R CB -0.304 29.908 30.300 -0.147 0.000 0.869 274 R HN 0.283 nan 8.270 nan 0.000 0.440 275 R N 1.301 121.775 120.500 -0.044 0.000 2.080 275 R HA -0.148 4.192 4.340 -0.000 0.000 0.236 275 R C 2.136 178.432 176.300 -0.006 0.000 1.137 275 R CA 1.677 57.767 56.100 -0.017 0.000 0.943 275 R CB -0.290 30.004 30.300 -0.010 0.000 0.846 275 R HN 0.155 nan 8.270 nan 0.000 0.431 276 I N 0.128 120.693 120.570 -0.008 0.000 2.252 276 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 276 I C 1.364 177.476 176.117 -0.009 0.000 1.102 276 I CA 1.164 62.462 61.300 -0.003 0.000 1.385 276 I CB -0.432 37.567 38.000 -0.002 0.000 1.064 276 I HN 0.591 nan 8.210 nan 0.000 0.414 277 G N 1.724 110.511 108.800 -0.022 0.000 2.356 277 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.296 277 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.296 277 G C -0.092 174.799 174.900 -0.016 0.000 1.022 277 G CA 0.176 45.265 45.100 -0.019 0.000 0.961 277 G HN 0.222 nan 8.290 nan 0.000 0.510 278 V N 1.975 121.869 119.914 -0.035 0.000 2.378 278 V HA 0.500 4.620 4.120 -0.000 0.000 0.288 278 V C -1.485 174.570 176.094 -0.064 0.000 1.016 278 V CA -1.584 60.696 62.300 -0.034 0.000 0.840 278 V CB 2.133 33.935 31.823 -0.033 0.000 0.994 278 V HN 0.260 nan 8.190 nan 0.000 0.431 279 P HA 0.256 nan 4.420 nan 0.000 0.276 279 P C -0.289 176.961 177.300 -0.084 0.000 1.252 279 P CA -0.337 62.702 63.100 -0.102 0.000 0.802 279 P CB 0.909 32.585 31.700 -0.039 0.000 1.035 280 S N 0.295 115.935 115.700 -0.100 0.000 2.513 280 S HA 0.351 4.821 4.470 -0.000 0.000 0.276 280 S C -0.089 174.464 174.600 -0.080 0.000 1.254 280 S CA -0.348 57.804 58.200 -0.080 0.000 1.053 280 S CB -0.191 62.963 63.200 -0.077 0.000 0.958 280 S HN 0.525 nan 8.310 nan 0.000 0.491 281 E N 1.810 121.959 120.200 -0.085 0.000 2.390 281 E HA 0.360 4.710 4.350 -0.000 0.000 0.280 281 E C -1.540 175.000 176.600 -0.101 0.000 0.992 281 E CA -1.087 55.227 56.400 -0.142 0.000 0.790 281 E CB 0.358 29.960 29.700 -0.164 0.000 1.248 281 E HN 0.450 nan 8.360 nan 0.000 0.447 282 Y N 0.474 120.719 120.300 -0.091 0.000 3.018 282 Y HA -0.159 4.391 4.550 -0.000 0.000 0.181 282 Y C -0.738 175.159 175.900 -0.006 0.000 1.542 282 Y CA 0.318 58.378 58.100 -0.067 0.000 0.975 282 Y CB -1.289 37.031 38.460 -0.233 0.000 1.379 282 Y HN 0.468 nan 8.280 nan 0.000 0.423 283 I N 1.848 122.485 120.570 0.111 0.000 2.406 283 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 283 I C -0.217 175.967 176.117 0.112 0.000 0.999 283 I CA -1.099 60.260 61.300 0.099 0.000 1.124 283 I CB 1.629 39.659 38.000 0.050 0.000 1.289 283 I HN 0.183 nan 8.210 nan 0.000 0.441 284 L N 8.028 129.318 121.223 0.111 0.000 2.325 284 L HA 0.575 4.915 4.340 -0.000 0.000 0.281 284 L C -0.856 176.063 176.870 0.081 0.000 1.004 284 L CA -0.383 54.516 54.840 0.098 0.000 0.823 284 L CB 1.614 43.731 42.059 0.097 0.000 1.236 284 L HN 0.305 nan 8.230 nan 0.000 0.415 285 V N 6.372 126.332 119.914 0.078 0.000 2.326 285 V HA 0.671 4.791 4.120 -0.000 0.000 0.281 285 V C -0.316 175.809 176.094 0.051 0.000 1.015 285 V CA -0.548 61.796 62.300 0.073 0.000 0.823 285 V CB 1.095 32.968 31.823 0.082 0.000 1.009 285 V HN 0.876 nan 8.190 nan 0.000 0.436 286 R N 2.288 122.812 120.500 0.041 0.000 2.626 286 R HA 0.613 4.953 4.340 -0.000 0.000 0.274 286 R C -1.013 175.289 176.300 0.004 0.000 1.031 286 R CA -0.750 55.356 56.100 0.010 0.000 0.898 286 R CB 1.677 31.982 30.300 0.009 0.000 1.222 286 R HN 0.440 nan 8.270 nan 0.000 0.455 287 D N 0.347 120.731 120.400 -0.027 0.000 2.907 287 D HA -0.144 4.496 4.640 -0.000 0.000 0.226 287 D C -0.874 175.417 176.300 -0.016 0.000 1.141 287 D CA 0.976 54.959 54.000 -0.029 0.000 0.779 287 D CB -0.842 39.949 40.800 -0.014 0.000 1.095 287 D HN 0.658 nan 8.370 nan 0.000 0.430 288 N N 0.333 119.020 118.700 -0.022 0.000 2.489 288 N HA 0.555 5.295 4.740 -0.000 0.000 0.284 288 N C -0.227 175.258 175.510 -0.041 0.000 1.158 288 N CA -0.515 52.561 53.050 0.043 0.000 0.965 288 N CB 1.831 40.428 38.487 0.182 0.000 1.195 288 N HN 0.072 nan 8.380 nan 0.000 0.506 289 L N 1.362 122.619 121.223 0.056 0.000 2.372 289 L HA 0.402 4.742 4.340 -0.000 0.000 0.274 289 L C -1.324 175.633 176.870 0.145 0.000 0.988 289 L CA -0.672 54.176 54.840 0.013 0.000 0.833 289 L CB 1.435 43.497 42.059 0.006 0.000 1.236 289 L HN 0.195 nan 8.230 nan 0.000 0.410 290 V N 7.069 127.033 119.914 0.083 0.000 2.311 290 V HA 0.451 4.571 4.120 -0.000 0.000 0.275 290 V C 0.074 176.260 176.094 0.152 0.000 1.022 290 V CA -0.272 62.152 62.300 0.206 0.000 0.830 290 V CB 1.126 33.108 31.823 0.265 0.000 1.012 290 V HN 0.576 nan 8.190 nan 0.000 0.452 291 I N 4.146 124.799 120.570 0.138 0.000 2.371 291 I HA 0.530 4.700 4.170 -0.000 0.000 0.282 291 I C 0.031 176.216 176.117 0.113 0.000 1.031 291 I CA 0.080 61.445 61.300 0.107 0.000 1.180 291 I CB 1.409 39.455 38.000 0.076 0.000 1.336 291 I HN 0.588 nan 8.210 nan 0.000 0.467 292 S N 4.527 120.296 115.700 0.115 0.000 2.392 292 S HA 0.123 4.593 4.470 -0.000 0.000 0.246 292 S C 0.274 174.933 174.600 0.099 0.000 0.999 292 S CA -0.508 57.758 58.200 0.111 0.000 1.059 292 S CB 1.234 64.511 63.200 0.129 0.000 1.194 292 S HN 0.729 nan 8.310 nan 0.000 0.421 293 Q N 3.290 123.142 119.800 0.087 0.000 2.167 293 Q HA 0.024 4.364 4.340 -0.000 0.000 0.202 293 Q C 1.974 178.027 176.000 0.087 0.000 0.970 293 Q CA 1.893 57.742 55.803 0.077 0.000 0.855 293 Q CB -0.099 28.679 28.738 0.067 0.000 0.911 293 Q HN 0.877 nan 8.270 nan 0.000 0.438 294 A N -0.106 122.775 122.820 0.102 0.000 2.014 294 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 294 A C 1.282 178.969 177.584 0.171 0.000 1.163 294 A CA 0.594 52.708 52.037 0.128 0.000 0.652 294 A CB -0.305 18.762 19.000 0.112 0.000 0.808 294 A HN 0.302 nan 8.150 nan 0.000 0.449 295 S N -0.276 115.502 115.700 0.128 0.000 2.544 295 S HA 0.012 4.482 4.470 -0.000 0.000 0.290 295 S C 0.824 175.529 174.600 0.176 0.000 1.276 295 S CA -0.165 58.105 58.200 0.116 0.000 1.075 295 S CB -0.245 63.002 63.200 0.080 0.000 0.849 295 S HN 0.593 nan 8.310 nan 0.000 0.494 296 H N 3.213 122.255 119.070 -0.047 0.000 2.547 296 H HA 0.222 4.778 4.556 -0.000 0.000 0.272 296 H C 1.090 176.360 175.328 -0.095 0.000 0.989 296 H CA 0.087 56.099 56.048 -0.060 0.000 1.214 296 H CB 0.387 30.112 29.762 -0.062 0.000 1.389 296 H HN 0.726 nan 8.280 nan 0.000 0.577 297 G N -1.118 107.683 108.800 0.002 0.000 2.503 297 G HA2 0.240 4.200 3.960 -0.000 0.000 0.305 297 G HA3 0.240 4.200 3.960 -0.000 0.000 0.305 297 G C 0.561 175.365 174.900 -0.161 0.000 1.575 297 G CA -0.288 44.744 45.100 -0.113 0.000 0.890 297 G HN 0.148 nan 8.290 nan 0.000 0.612 298 G N 0.189 108.824 108.800 -0.275 0.000 2.464 298 G HA2 0.276 4.236 3.960 -0.000 0.000 0.214 298 G HA3 0.276 4.236 3.960 -0.000 0.000 0.214 298 G C 0.575 175.349 174.900 -0.210 0.000 1.218 298 G CA 1.395 46.287 45.100 -0.346 0.000 0.794 298 G HN 1.161 nan 8.290 nan 0.000 0.542 299 L N 0.581 121.649 121.223 -0.257 0.000 2.333 299 L HA 0.695 5.034 4.340 -0.000 0.000 0.280 299 L C -0.890 175.856 176.870 -0.207 0.000 1.004 299 L CA -0.691 54.077 54.840 -0.120 0.000 0.820 299 L CB 2.339 44.451 42.059 0.089 0.000 1.247 299 L HN -0.003 nan 8.230 nan 0.000 0.416 300 V N 5.645 125.444 119.914 -0.191 0.000 2.735 300 V HA 0.593 4.713 4.120 -0.000 0.000 0.310 300 V C -0.503 175.473 176.094 -0.196 0.000 1.061 300 V CA -0.649 61.524 62.300 -0.211 0.000 0.913 300 V CB 2.072 33.763 31.823 -0.220 0.000 1.005 300 V HN 0.510 nan 8.190 nan 0.000 0.428 301 I N 3.090 123.541 120.570 -0.199 0.000 2.436 301 I HA 0.840 5.010 4.170 -0.000 0.000 0.289 301 I C 0.592 176.578 176.117 -0.218 0.000 1.010 301 I CA 0.112 61.301 61.300 -0.186 0.000 1.098 301 I CB 0.693 38.601 38.000 -0.155 0.000 1.266 301 I HN 0.945 nan 8.210 nan 0.000 0.434 302 G N 4.848 113.511 108.800 -0.229 0.000 2.660 302 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.247 302 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.247 302 G C 0.437 175.133 174.900 -0.339 0.000 1.328 302 G CA 0.009 44.950 45.100 -0.266 0.000 0.884 302 G HN 0.855 nan 8.290 nan 0.000 0.531 303 S N -0.896 114.533 115.700 -0.452 0.000 2.527 303 S HA 0.148 4.618 4.470 -0.000 0.000 0.222 303 S C 0.804 175.264 174.600 -0.233 0.000 0.985 303 S CA 1.514 59.437 58.200 -0.462 0.000 0.921 303 S CB 0.116 62.780 63.200 -0.893 0.000 0.772 303 S HN 0.672 nan 8.310 nan 0.000 0.529 304 E N 2.190 122.292 120.200 -0.164 0.000 1.775 304 E HA 0.246 4.596 4.350 -0.000 0.000 0.266 304 E C -0.105 176.428 176.600 -0.111 0.000 1.191 304 E CA -0.038 56.311 56.400 -0.085 0.000 1.048 304 E CB 0.076 29.772 29.700 -0.007 0.000 1.081 304 E HN 0.673 nan 8.360 nan 0.000 0.434 305 M N -1.594 117.925 119.600 -0.134 0.000 2.705 305 M HA 0.363 4.843 4.480 -0.000 0.000 0.387 305 M C 0.475 176.659 176.300 -0.194 0.000 1.204 305 M CA -0.173 55.025 55.300 -0.170 0.000 0.905 305 M CB 0.229 32.718 32.600 -0.184 0.000 1.394 305 M HN -0.078 nan 8.290 nan 0.000 0.515 306 S N 0.817 116.429 115.700 -0.147 0.000 2.481 306 S HA 0.102 4.572 4.470 -0.000 0.000 0.231 306 S C 1.795 176.292 174.600 -0.171 0.000 0.996 306 S CA 1.191 59.306 58.200 -0.142 0.000 0.942 306 S CB -0.332 62.802 63.200 -0.110 0.000 0.768 306 S HN 0.809 nan 8.310 nan 0.000 0.520 307 G N 0.681 109.370 108.800 -0.185 0.000 2.813 307 G HA2 0.448 4.408 3.960 -0.000 0.000 0.209 307 G HA3 0.448 4.408 3.960 -0.000 0.000 0.209 307 G C 0.612 175.292 174.900 -0.366 0.000 1.150 307 G CA 0.177 45.162 45.100 -0.192 0.000 0.785 307 G HN 0.802 nan 8.290 nan 0.000 0.535 308 G N -1.728 106.715 108.800 -0.594 0.000 2.719 308 G HA2 0.144 4.104 3.960 -0.000 0.000 0.686 308 G HA3 0.144 4.104 3.960 -0.000 0.000 0.686 308 G C -0.997 173.538 174.900 -0.608 0.000 1.201 308 G CA -0.455 43.913 45.100 -1.220 0.000 0.768 308 G HN 0.881 nan 8.290 nan 0.000 0.629 309 V N 2.526 122.170 119.914 -0.451 0.000 2.623 309 V HA 0.927 5.047 4.120 -0.000 0.000 0.304 309 V C 0.208 176.331 176.094 0.048 0.000 1.054 309 V CA -0.297 61.919 62.300 -0.141 0.000 0.882 309 V CB 1.844 33.589 31.823 -0.131 0.000 1.002 309 V HN 1.422 nan 8.190 nan 0.000 0.424 310 R N 2.758 123.288 120.500 0.050 0.000 2.739 310 R HA 0.656 4.996 4.340 -0.000 0.000 0.271 310 R C -0.684 175.564 176.300 -0.086 0.000 1.010 310 R CA -0.965 55.163 56.100 0.046 0.000 0.897 310 R CB 0.987 31.352 30.300 0.109 0.000 1.236 310 R HN 0.407 nan 8.270 nan 0.000 0.466 311 N N -0.440 118.227 118.700 -0.054 0.000 2.681 311 N HA -0.117 4.623 4.740 -0.000 0.000 0.259 311 N C -1.354 174.140 175.510 -0.028 0.000 1.066 311 N CA 0.763 53.753 53.050 -0.101 0.000 0.717 311 N CB -0.878 37.253 38.487 -0.593 0.000 0.885 311 N HN 0.407 nan 8.380 nan 0.000 0.547 312 V N 0.648 120.637 119.914 0.125 0.000 2.487 312 V HA 0.545 4.665 4.120 -0.000 0.000 0.298 312 V C 0.372 176.616 176.094 0.249 0.000 1.028 312 V CA -0.780 61.598 62.300 0.129 0.000 0.860 312 V CB 2.510 34.379 31.823 0.076 0.000 0.991 312 V HN 0.047 nan 8.190 nan 0.000 0.427 313 V N 3.926 123.958 119.914 0.197 0.000 2.407 313 V HA 0.765 4.885 4.120 -0.000 0.000 0.291 313 V C 0.202 176.387 176.094 0.153 0.000 1.018 313 V CA -0.523 61.901 62.300 0.207 0.000 0.842 313 V CB 1.701 33.589 31.823 0.109 0.000 0.996 313 V HN 0.969 nan 8.190 nan 0.000 0.426 314 A N 5.787 128.711 122.820 0.172 0.000 2.267 314 A HA 0.845 5.165 4.320 -0.000 0.000 0.315 314 A C -0.220 177.345 177.584 -0.031 0.000 1.297 314 A CA -0.609 51.486 52.037 0.098 0.000 0.865 314 A CB 0.671 19.791 19.000 0.200 0.000 1.165 314 A HN 0.810 nan 8.150 nan 0.000 0.513 315 R N 2.365 122.842 120.500 -0.040 0.000 2.628 315 R HA 0.437 4.777 4.340 -0.000 0.000 0.288 315 R C -0.458 175.790 176.300 -0.087 0.000 0.980 315 R CA -0.454 55.603 56.100 -0.072 0.000 0.891 315 R CB 0.730 31.013 30.300 -0.028 0.000 1.188 315 R HN 0.887 nan 8.270 nan 0.000 0.450 316 N N 1.589 120.224 118.700 -0.109 0.000 2.740 316 N HA -0.206 4.534 4.740 -0.000 0.000 0.248 316 N C -1.411 174.023 175.510 -0.126 0.000 1.062 316 N CA 0.830 53.822 53.050 -0.096 0.000 0.704 316 N CB -0.629 37.822 38.487 -0.059 0.000 0.968 316 N HN 0.576 nan 8.380 nan 0.000 0.547 317 N N -0.287 118.296 118.700 -0.195 0.000 2.466 317 N HA 0.483 5.223 4.740 -0.000 0.000 0.294 317 N C -0.454 174.798 175.510 -0.431 0.000 1.129 317 N CA -0.336 52.513 53.050 -0.336 0.000 0.931 317 N CB 1.795 40.010 38.487 -0.453 0.000 1.193 317 N HN -0.139 nan 8.380 nan 0.000 0.500 318 V N 2.297 121.920 119.914 -0.485 0.000 2.448 318 V HA 0.382 4.502 4.120 -0.000 0.000 0.295 318 V C -1.221 174.594 176.094 -0.466 0.000 1.025 318 V CA -0.618 61.480 62.300 -0.336 0.000 0.859 318 V CB 0.564 32.306 31.823 -0.134 0.000 0.988 318 V HN 0.502 nan 8.190 nan 0.000 0.431 319 Y N 4.486 124.818 120.300 0.054 0.000 2.350 319 Y HA 0.740 5.290 4.550 -0.000 0.000 0.338 319 Y C 0.050 175.985 175.900 0.058 0.000 0.961 319 Y CA -0.767 57.371 58.100 0.064 0.000 1.100 319 Y CB 1.911 40.419 38.460 0.080 0.000 1.179 319 Y HN 0.461 nan 8.280 nan 0.000 0.454 320 M N 3.337 123.049 119.600 0.187 0.000 2.259 320 M HA 0.315 4.795 4.480 -0.000 0.000 0.304 320 M C -0.290 176.078 176.300 0.114 0.000 1.019 320 M CA -0.430 54.946 55.300 0.125 0.000 0.922 320 M CB 1.551 34.203 32.600 0.086 0.000 1.600 320 M HN 0.814 nan 8.290 nan 0.000 0.433 321 N N -1.198 117.558 118.700 0.093 0.000 2.936 321 N HA -0.128 4.612 4.740 -0.000 0.000 0.236 321 N C -0.137 175.416 175.510 0.072 0.000 0.930 321 N CA 1.100 54.194 53.050 0.074 0.000 0.966 321 N CB -1.774 36.755 38.487 0.070 0.000 1.090 321 N HN 0.631 nan 8.380 nan 0.000 0.592 322 V N -0.944 119.021 119.914 0.085 0.000 3.139 322 V HA 0.087 4.207 4.120 -0.000 0.000 0.307 322 V C 1.679 177.791 176.094 0.029 0.000 1.095 322 V CA 0.113 62.452 62.300 0.066 0.000 1.160 322 V CB 0.792 32.655 31.823 0.067 0.000 1.003 322 V HN 0.159 nan 8.190 nan 0.000 0.489 323 E N 1.687 121.893 120.200 0.011 0.000 2.072 323 E HA -0.002 4.348 4.350 -0.000 0.000 0.191 323 E C 0.438 177.012 176.600 -0.044 0.000 0.985 323 E CA 1.199 57.585 56.400 -0.023 0.000 0.801 323 E CB 0.133 29.796 29.700 -0.062 0.000 0.750 323 E HN 0.716 nan 8.360 nan 0.000 0.452 324 R N -1.698 118.759 120.500 -0.071 0.000 2.698 324 R HA 0.462 4.802 4.340 -0.000 0.000 0.275 324 R C -0.049 176.132 176.300 -0.198 0.000 1.001 324 R CA -0.135 55.891 56.100 -0.123 0.000 0.896 324 R CB 1.608 31.821 30.300 -0.147 0.000 1.218 324 R HN -0.037 nan 8.270 nan 0.000 0.462 325 A N 1.950 124.624 122.820 -0.244 0.000 1.861 325 A HA 0.117 4.437 4.320 -0.000 0.000 0.212 325 A C 0.254 177.475 177.584 -0.606 0.000 1.199 325 A CA 0.996 52.790 52.037 -0.406 0.000 0.613 325 A CB 0.073 18.969 19.000 -0.174 0.000 0.846 325 A HN 0.389 nan 8.150 nan 0.000 0.446 326 L N -0.675 120.168 121.223 -0.633 0.000 2.385 326 L HA 0.662 5.002 4.340 -0.000 0.000 0.273 326 L C -0.517 176.093 176.870 -0.434 0.000 0.990 326 L CA -0.478 53.926 54.840 -0.726 0.000 0.821 326 L CB 1.793 43.135 42.059 -1.194 0.000 1.279 326 L HN 0.316 nan 8.230 nan 0.000 0.412 327 R N 4.434 124.729 120.500 -0.342 0.000 2.574 327 R HA 0.721 5.061 4.340 -0.000 0.000 0.288 327 R C -2.073 174.090 176.300 -0.229 0.000 1.004 327 R CA -0.717 55.231 56.100 -0.253 0.000 0.895 327 R CB 1.499 31.677 30.300 -0.202 0.000 1.191 327 R HN 0.644 nan 8.270 nan 0.000 0.444 328 L N 4.082 125.183 121.223 -0.204 0.000 2.333 328 L HA 0.516 4.856 4.340 -0.000 0.000 0.280 328 L C -0.657 176.114 176.870 -0.166 0.000 1.004 328 L CA -0.296 54.433 54.840 -0.185 0.000 0.820 328 L CB 1.870 43.826 42.059 -0.171 0.000 1.247 328 L HN 0.463 nan 8.230 nan 0.000 0.416 329 K N 2.110 122.390 120.400 -0.199 0.000 2.426 329 K HA 0.819 5.139 4.320 -0.000 0.000 0.254 329 K C -0.690 175.778 176.600 -0.220 0.000 0.936 329 K CA -0.640 55.508 56.287 -0.232 0.000 0.801 329 K CB 2.582 34.801 32.500 -0.467 0.000 1.139 329 K HN 0.576 nan 8.250 nan 0.000 0.424 330 T N 1.401 115.895 114.554 -0.100 0.000 2.693 330 T HA 0.427 4.777 4.350 -0.000 0.000 0.304 330 T C -1.961 172.772 174.700 0.054 0.000 1.471 330 T CA -0.669 61.401 62.100 -0.050 0.000 0.993 330 T CB 1.297 70.131 68.868 -0.057 0.000 1.554 330 T HN 0.900 nan 8.240 nan 0.000 0.496 331 N N -1.094 117.640 118.700 0.058 0.000 3.277 331 N HA 0.340 5.080 4.740 -0.000 0.000 0.278 331 N C 0.279 175.826 175.510 0.062 0.000 1.544 331 N CA -0.078 53.014 53.050 0.070 0.000 0.869 331 N CB 0.552 39.099 38.487 0.100 0.000 1.584 331 N HN 0.461 nan 8.380 nan 0.000 0.564 332 S N -1.576 114.161 115.700 0.062 0.000 2.603 332 S HA 0.124 4.594 4.470 -0.000 0.000 0.220 332 S C 1.139 175.812 174.600 0.122 0.000 0.967 332 S CA -0.073 58.172 58.200 0.076 0.000 0.920 332 S CB -0.381 62.846 63.200 0.045 0.000 0.773 332 S HN 0.531 nan 8.310 nan 0.000 0.529 333 R N 0.718 121.282 120.500 0.107 0.000 2.161 333 R HA 0.245 4.585 4.340 -0.000 0.000 0.213 333 R C 2.151 178.498 176.300 0.078 0.000 1.055 333 R CA 0.246 56.417 56.100 0.118 0.000 0.996 333 R CB 0.039 30.387 30.300 0.080 0.000 0.901 333 R HN 0.280 nan 8.270 nan 0.000 0.456 334 R N 0.079 120.613 120.500 0.058 0.000 2.075 334 R HA 0.064 4.404 4.340 -0.000 0.000 0.226 334 R C 1.309 177.603 176.300 -0.010 0.000 1.114 334 R CA 0.964 57.064 56.100 0.000 0.000 0.972 334 R CB -0.670 29.623 30.300 -0.011 0.000 0.869 334 R HN 0.323 nan 8.270 nan 0.000 0.437 335 G N -0.074 108.777 108.800 0.085 0.000 2.578 335 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.275 335 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.275 335 G C 0.484 175.402 174.900 0.031 0.000 1.271 335 G CA 0.504 45.674 45.100 0.116 0.000 0.941 335 G HN 0.749 nan 8.290 nan 0.000 0.564 336 G N -2.046 106.774 108.800 0.033 0.000 2.598 336 G HA2 0.430 4.390 3.960 -0.000 0.000 0.244 336 G HA3 0.430 4.390 3.960 -0.000 0.000 0.244 336 G C -0.108 174.820 174.900 0.047 0.000 1.302 336 G CA 1.384 46.455 45.100 -0.049 0.000 0.903 336 G HN 2.772 nan 8.290 nan 0.000 0.575 337 Y N -3.623 116.661 120.300 -0.026 0.000 2.624 337 Y HA 0.792 5.342 4.550 -0.000 0.000 0.334 337 Y C -0.538 175.328 175.900 -0.056 0.000 1.155 337 Y CA -1.706 56.373 58.100 -0.036 0.000 1.046 337 Y CB 1.054 39.496 38.460 -0.029 0.000 1.316 337 Y HN 0.745 nan 8.280 nan 0.000 0.457 338 M N 3.111 122.802 119.600 0.150 0.000 2.151 338 M HA 0.484 4.964 4.480 -0.000 0.000 0.290 338 M C -1.434 174.908 176.300 0.069 0.000 0.965 338 M CA -0.361 54.980 55.300 0.067 0.000 0.930 338 M CB 2.411 34.983 32.600 -0.047 0.000 1.560 338 M HN 0.858 nan 8.290 nan 0.000 0.438 339 E N 1.518 121.766 120.200 0.081 0.000 2.430 339 E HA 0.463 4.813 4.350 -0.000 0.000 0.279 339 E C -0.884 175.702 176.600 -0.023 0.000 1.003 339 E CA -1.065 55.329 56.400 -0.010 0.000 0.801 339 E CB 1.060 30.748 29.700 -0.019 0.000 1.313 339 E HN 0.546 nan 8.360 nan 0.000 0.459 340 N N 0.606 119.268 118.700 -0.063 0.000 2.696 340 N HA -0.117 4.623 4.740 -0.000 0.000 0.256 340 N C -1.072 174.375 175.510 -0.105 0.000 1.031 340 N CA 0.841 53.868 53.050 -0.038 0.000 0.730 340 N CB -0.950 37.645 38.487 0.179 0.000 0.894 340 N HN 0.482 nan 8.380 nan 0.000 0.544 341 I N 0.747 121.156 120.570 -0.268 0.000 2.321 341 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 341 I C 0.387 176.378 176.117 -0.210 0.000 0.998 341 I CA -0.332 60.892 61.300 -0.127 0.000 1.227 341 I CB 0.269 38.200 38.000 -0.115 0.000 1.368 341 I HN -0.049 nan 8.210 nan 0.000 0.466 342 F N 6.441 126.513 119.950 0.204 0.000 2.449 342 F HA 0.393 4.920 4.527 0.000 0.000 0.342 342 F C -0.274 175.680 175.800 0.256 0.000 1.127 342 F CA -0.645 57.503 58.000 0.247 0.000 0.975 342 F CB 1.677 40.779 39.000 0.171 0.000 1.146 342 F HN 0.244 nan 8.300 nan 0.000 0.444 343 F N 6.079 126.163 119.950 0.222 0.000 2.443 343 F HA 0.598 5.125 4.527 -0.000 0.000 0.369 343 F C -1.301 174.591 175.800 0.153 0.000 1.090 343 F CA -0.829 57.258 58.000 0.144 0.000 1.129 343 F CB 0.240 39.278 39.000 0.064 0.000 1.367 343 F HN 0.144 nan 8.300 nan 0.000 0.465 344 I N 4.496 125.041 120.570 -0.042 0.000 2.509 344 I HA 0.266 4.436 4.170 -0.000 0.000 0.293 344 I C -0.275 175.784 176.117 -0.097 0.000 1.020 344 I CA -0.685 60.616 61.300 0.001 0.000 1.088 344 I CB 1.676 39.713 38.000 0.061 0.000 1.267 344 I HN 0.433 nan 8.210 nan 0.000 0.430 345 D N 2.891 123.262 120.400 -0.049 0.000 2.751 345 D HA -0.177 4.463 4.640 -0.000 0.000 0.233 345 D C 0.064 176.307 176.300 -0.096 0.000 1.149 345 D CA 0.845 54.815 54.000 -0.050 0.000 0.682 345 D CB -0.851 39.927 40.800 -0.038 0.000 1.068 345 D HN 0.529 nan 8.370 nan 0.000 0.429 346 N N -0.476 118.136 118.700 -0.148 0.000 2.482 346 N HA 0.556 5.296 4.740 -0.000 0.000 0.279 346 N C -0.022 175.491 175.510 0.004 0.000 1.182 346 N CA -0.376 52.588 53.050 -0.144 0.000 0.969 346 N CB 1.841 40.096 38.487 -0.386 0.000 1.201 346 N HN -0.130 nan 8.380 nan 0.000 0.523 347 V N 0.277 120.224 119.914 0.054 0.000 2.531 347 V HA 0.698 4.818 4.120 -0.000 0.000 0.301 347 V C -0.675 175.543 176.094 0.207 0.000 1.034 347 V CA -0.857 61.502 62.300 0.098 0.000 0.865 347 V CB 1.425 33.272 31.823 0.039 0.000 0.995 347 V HN 0.814 nan 8.190 nan 0.000 0.424 348 A N 4.821 127.771 122.820 0.217 0.000 2.457 348 A HA 0.838 5.158 4.320 -0.000 0.000 0.283 348 A C -0.756 176.918 177.584 0.150 0.000 1.166 348 A CA -0.528 51.659 52.037 0.251 0.000 0.740 348 A CB 1.468 20.628 19.000 0.267 0.000 1.181 348 A HN 1.340 nan 8.150 nan 0.000 0.446 349 V N 0.350 120.341 119.914 0.130 0.000 2.715 349 V HA 0.649 4.769 4.120 -0.000 0.000 0.310 349 V C 0.129 176.269 176.094 0.077 0.000 1.054 349 V CA -0.936 61.416 62.300 0.088 0.000 0.928 349 V CB 1.459 33.324 31.823 0.070 0.000 1.007 349 V HN 0.848 nan 8.190 nan 0.000 0.437 350 N N 0.690 119.424 118.700 0.058 0.000 2.740 350 N HA -0.133 4.607 4.740 -0.000 0.000 0.248 350 N C -0.125 175.414 175.510 0.049 0.000 1.062 350 N CA 0.895 53.974 53.050 0.048 0.000 0.704 350 N CB -1.088 37.426 38.487 0.046 0.000 0.968 350 N HN 0.779 nan 8.380 nan 0.000 0.547 351 V N 1.029 120.971 119.914 0.047 0.000 2.572 351 V HA 0.083 4.203 4.120 -0.000 0.000 0.291 351 V C 1.757 177.866 176.094 0.025 0.000 1.039 351 V CA 0.728 63.050 62.300 0.037 0.000 1.055 351 V CB 1.621 33.463 31.823 0.032 0.000 0.969 351 V HN 0.572 nan 8.190 nan 0.000 0.482 352 S N 2.524 118.234 115.700 0.018 0.000 2.475 352 S HA 0.101 4.571 4.470 -0.000 0.000 0.224 352 S C 0.995 175.602 174.600 0.013 0.000 1.042 352 S CA -0.041 58.167 58.200 0.013 0.000 0.935 352 S CB 0.236 63.443 63.200 0.011 0.000 0.801 352 S HN 0.738 nan 8.310 nan 0.000 0.509 353 E N 1.447 121.653 120.200 0.011 0.000 2.406 353 E HA 0.388 4.738 4.350 -0.000 0.000 0.200 353 E C -0.422 176.223 176.600 0.075 0.000 1.034 353 E CA 0.521 56.940 56.400 0.031 0.000 1.057 353 E CB -0.148 29.544 29.700 -0.013 0.000 1.751 353 E HN 0.460 nan 8.360 nan 0.000 0.525 354 E N 0.239 120.452 120.200 0.022 0.000 2.234 354 E HA 0.260 4.610 4.350 -0.000 0.000 0.266 354 E C 0.735 177.315 176.600 -0.032 0.000 0.877 354 E CA -0.224 56.191 56.400 0.024 0.000 0.758 354 E CB 2.694 32.363 29.700 -0.052 0.000 1.170 354 E HN -0.159 nan 8.360 nan 0.000 0.415 355 V N 2.099 122.004 119.914 -0.016 0.000 2.270 355 V HA -0.059 4.061 4.120 -0.000 0.000 0.245 355 V C 0.766 176.783 176.094 -0.129 0.000 1.043 355 V CA 1.263 63.536 62.300 -0.046 0.000 1.014 355 V CB -0.294 31.530 31.823 0.002 0.000 0.645 355 V HN 0.591 nan 8.190 nan 0.000 0.447 356 I N 0.198 120.693 120.570 -0.125 0.000 2.418 356 I HA 0.544 4.714 4.170 -0.000 0.000 0.287 356 I C -0.320 175.689 176.117 -0.179 0.000 1.008 356 I CA -0.472 60.711 61.300 -0.195 0.000 1.104 356 I CB 1.841 39.735 38.000 -0.177 0.000 1.264 356 I HN 0.032 nan 8.210 nan 0.000 0.438 357 R N 7.090 127.464 120.500 -0.211 0.000 2.561 357 R HA 0.757 5.097 4.340 -0.000 0.000 0.297 357 R C -1.846 174.338 176.300 -0.193 0.000 0.969 357 R CA -0.356 55.626 56.100 -0.197 0.000 0.879 357 R CB 1.223 31.413 30.300 -0.183 0.000 1.178 357 R HN 0.607 nan 8.270 nan 0.000 0.445 358 I N 3.671 124.135 120.570 -0.178 0.000 2.569 358 I HA 0.443 4.613 4.170 -0.000 0.000 0.290 358 I C -0.872 175.166 176.117 -0.131 0.000 1.088 358 I CA -0.855 60.352 61.300 -0.154 0.000 1.047 358 I CB 2.251 40.158 38.000 -0.154 0.000 1.237 358 I HN 0.563 nan 8.210 nan 0.000 0.421 359 N N 5.756 124.397 118.700 -0.097 0.000 2.324 359 N HA 0.326 5.066 4.740 -0.000 0.000 0.285 359 N C -1.200 174.297 175.510 -0.023 0.000 1.076 359 N CA -0.410 52.602 53.050 -0.063 0.000 0.864 359 N CB 2.563 41.019 38.487 -0.053 0.000 1.632 359 N HN 0.447 nan 8.380 nan 0.000 0.478 360 L N 2.941 124.159 121.223 -0.007 0.000 2.818 360 L HA 0.389 4.729 4.340 -0.000 0.000 0.243 360 L C 1.100 177.992 176.870 0.035 0.000 1.185 360 L CA 0.272 55.120 54.840 0.013 0.000 0.988 360 L CB -0.075 41.988 42.059 0.007 0.000 1.292 360 L HN 0.478 nan 8.230 nan 0.000 0.519 361 R N -1.387 119.138 120.500 0.042 0.000 2.700 361 R HA 0.171 4.511 4.340 -0.000 0.000 0.399 361 R C -0.566 175.763 176.300 0.049 0.000 1.115 361 R CA -0.542 55.580 56.100 0.037 0.000 1.058 361 R CB 0.375 30.680 30.300 0.008 0.000 1.389 361 R HN 0.034 nan 8.270 nan 0.000 0.582 362 Y N 2.375 122.656 120.300 -0.031 0.000 2.895 362 Y HA -0.216 4.334 4.550 0.000 0.000 0.334 362 Y C 0.540 176.430 175.900 -0.018 0.000 1.261 362 Y CA 0.881 58.963 58.100 -0.031 0.000 1.560 362 Y CB 0.209 38.649 38.460 -0.035 0.000 1.253 362 Y HN 0.369 nan 8.280 nan 0.000 0.582 363 D N 3.180 123.152 120.400 -0.714 0.000 2.983 363 D HA -0.327 4.313 4.640 -0.000 0.000 0.225 363 D C 0.205 176.379 176.300 -0.210 0.000 1.174 363 D CA 1.681 55.372 54.000 -0.515 0.000 0.831 363 D CB -1.453 39.050 40.800 -0.496 0.000 1.104 363 D HN 0.770 nan 8.370 nan 0.000 0.421 364 N N -0.308 118.308 118.700 -0.140 0.000 2.735 364 N HA -0.242 4.498 4.740 -0.000 0.000 0.248 364 N C -1.041 174.443 175.510 -0.042 0.000 1.083 364 N CA 1.584 54.590 53.050 -0.073 0.000 0.703 364 N CB -0.480 37.962 38.487 -0.074 0.000 1.005 364 N HN 0.603 nan 8.380 nan 0.000 0.550 365 E N -0.002 120.184 120.200 -0.023 0.000 2.207 365 E HA 0.534 4.884 4.350 -0.000 0.000 0.270 365 E C -0.522 176.093 176.600 0.025 0.000 0.927 365 E CA -0.656 55.748 56.400 0.008 0.000 0.799 365 E CB 1.589 31.306 29.700 0.029 0.000 1.172 365 E HN 0.246 nan 8.360 nan 0.000 0.404 366 E N 0.064 120.281 120.200 0.029 0.000 2.408 366 E HA 0.663 5.013 4.350 -0.000 0.000 0.275 366 E C -0.677 175.954 176.600 0.050 0.000 0.935 366 E CA -0.815 55.605 56.400 0.033 0.000 0.775 366 E CB 2.368 32.078 29.700 0.016 0.000 1.277 366 E HN 0.580 nan 8.360 nan 0.000 0.455 367 G N 0.245 109.082 108.800 0.061 0.000 2.664 367 G HA2 0.214 4.174 3.960 -0.000 0.000 0.303 367 G HA3 0.214 4.174 3.960 -0.000 0.000 0.303 367 G C -1.066 173.863 174.900 0.049 0.000 1.243 367 G CA -0.644 44.511 45.100 0.091 0.000 0.826 367 G HN 0.544 nan 8.290 nan 0.000 0.498 368 E N -0.479 119.739 120.200 0.029 0.000 2.736 368 E HA 0.285 4.635 4.350 -0.000 0.000 0.208 368 E C -1.242 175.092 176.600 -0.444 0.000 0.996 368 E CA -0.291 55.991 56.400 -0.195 0.000 1.104 368 E CB 0.413 29.949 29.700 -0.275 0.000 1.111 368 E HN 0.380 nan 8.360 nan 0.000 0.455 369 Y N 1.176 121.479 120.300 0.006 0.000 2.787 369 Y HA 0.308 4.858 4.550 -0.000 0.000 0.352 369 Y C -0.126 175.779 175.900 0.008 0.000 1.027 369 Y CA -0.800 57.305 58.100 0.008 0.000 1.219 369 Y CB 0.858 39.324 38.460 0.009 0.000 1.110 369 Y HN 0.064 nan 8.280 nan 0.000 0.614 370 L N 5.963 127.230 121.223 0.073 0.000 2.462 370 L HA 0.176 4.516 4.340 -0.000 0.000 0.272 370 L C -2.015 174.900 176.870 0.075 0.000 1.166 370 L CA -1.629 53.244 54.840 0.055 0.000 0.880 370 L CB 0.355 42.426 42.059 0.019 0.000 1.142 370 L HN 0.263 nan 8.230 nan 0.000 0.473 371 P HA 0.146 nan 4.420 nan 0.000 0.282 371 P C -0.735 176.601 177.300 0.060 0.000 1.249 371 P CA -0.397 62.740 63.100 0.061 0.000 0.806 371 P CB 1.471 33.191 31.700 0.033 0.000 0.984 372 V N 3.676 123.643 119.914 0.087 0.000 2.385 372 V HA 0.158 4.278 4.120 -0.000 0.000 0.269 372 V C 0.350 176.482 176.094 0.063 0.000 1.043 372 V CA -0.270 62.076 62.300 0.076 0.000 0.906 372 V CB 1.121 32.996 31.823 0.088 0.000 0.995 372 V HN 0.257 nan 8.190 nan 0.000 0.467 373 V N 7.346 127.273 119.914 0.021 0.000 2.376 373 V HA 0.694 4.814 4.120 -0.000 0.000 0.287 373 V C -0.002 176.066 176.094 -0.043 0.000 1.015 373 V CA -0.646 61.645 62.300 -0.016 0.000 0.834 373 V CB 1.213 33.014 31.823 -0.036 0.000 1.001 373 V HN 1.056 nan 8.190 nan 0.000 0.428 374 R N 1.921 122.377 120.500 -0.073 0.000 2.716 374 R HA 0.672 5.012 4.340 -0.000 0.000 0.271 374 R C -0.512 175.665 176.300 -0.206 0.000 1.028 374 R CA -0.678 55.354 56.100 -0.113 0.000 0.883 374 R CB 1.483 31.745 30.300 -0.062 0.000 1.250 374 R HN 0.373 nan 8.270 nan 0.000 0.465 375 S N -0.788 114.720 115.700 -0.320 0.000 3.766 375 S HA -0.097 4.373 4.470 -0.000 0.000 0.416 375 S C -0.505 173.511 174.600 -0.974 0.000 0.902 375 S CA 0.670 58.509 58.200 -0.602 0.000 1.283 375 S CB -1.250 61.866 63.200 -0.140 0.000 0.891 375 S HN 0.433 nan 8.310 nan 0.000 0.556 376 V N 2.496 121.802 119.914 -1.014 0.000 2.417 376 V HA 0.685 4.805 4.120 -0.000 0.000 0.291 376 V C -0.196 175.338 176.094 -0.934 0.000 1.024 376 V CA -0.431 61.403 62.300 -0.777 0.000 0.861 376 V CB 1.218 32.795 31.823 -0.410 0.000 0.985 376 V HN 0.457 nan 8.190 nan 0.000 0.436 377 F N 3.638 123.446 119.950 -0.236 0.000 2.460 377 F HA 0.589 5.116 4.527 0.000 0.000 0.341 377 F C -0.092 175.741 175.800 0.055 0.000 1.130 377 F CA -0.885 57.057 58.000 -0.096 0.000 0.962 377 F CB 1.807 40.741 39.000 -0.109 0.000 1.171 377 F HN 0.153 nan 8.300 nan 0.000 0.436 378 V N 3.626 123.668 119.914 0.213 0.000 2.347 378 V HA 0.531 4.651 4.120 -0.000 0.000 0.280 378 V C -0.404 175.824 176.094 0.224 0.000 1.021 378 V CA -0.747 61.702 62.300 0.248 0.000 0.847 378 V CB 1.551 33.480 31.823 0.176 0.000 0.990 378 V HN 0.664 nan 8.190 nan 0.000 0.444 379 K N 4.454 124.985 120.400 0.219 0.000 2.482 379 K HA 0.523 4.843 4.320 -0.000 0.000 0.251 379 K C 0.105 176.773 176.600 0.113 0.000 0.936 379 K CA -0.469 55.913 56.287 0.159 0.000 0.791 379 K CB 0.958 33.553 32.500 0.159 0.000 1.213 379 K HN 0.449 nan 8.250 nan 0.000 0.428 380 N N 2.375 121.131 118.700 0.094 0.000 2.738 380 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 380 N C -1.619 173.930 175.510 0.064 0.000 1.047 380 N CA 0.645 53.736 53.050 0.067 0.000 0.707 380 N CB -0.882 37.632 38.487 0.044 0.000 0.937 380 N HN 0.538 nan 8.380 nan 0.000 0.545 381 L N 0.469 121.751 121.223 0.098 0.000 2.305 381 L HA 0.486 4.826 4.340 -0.000 0.000 0.281 381 L C -0.226 176.703 176.870 0.098 0.000 1.085 381 L CA -0.166 54.743 54.840 0.116 0.000 0.813 381 L CB 0.827 43.002 42.059 0.194 0.000 1.157 381 L HN 0.016 nan 8.230 nan 0.000 0.436 382 K N 5.394 125.846 120.400 0.088 0.000 2.274 382 K HA 0.820 5.140 4.320 -0.000 0.000 0.262 382 K C -0.998 175.660 176.600 0.095 0.000 0.961 382 K CA -0.439 55.895 56.287 0.079 0.000 0.833 382 K CB 1.732 34.267 32.500 0.058 0.000 1.102 382 K HN 0.716 nan 8.250 nan 0.000 0.436 383 A N 1.533 124.407 122.820 0.090 0.000 2.539 383 A HA 0.748 5.068 4.320 -0.000 0.000 0.296 383 A C -0.665 176.961 177.584 0.070 0.000 1.073 383 A CA -0.661 51.432 52.037 0.093 0.000 0.700 383 A CB 1.629 20.693 19.000 0.106 0.000 1.296 383 A HN 0.682 nan 8.150 nan 0.000 0.405 384 T N -1.334 113.258 114.554 0.064 0.000 2.900 384 T HA 0.846 5.196 4.350 -0.000 0.000 0.295 384 T C 0.290 175.016 174.700 0.042 0.000 1.044 384 T CA 0.217 62.346 62.100 0.048 0.000 0.995 384 T CB 1.183 70.077 68.868 0.042 0.000 1.072 384 T HN 2.771 nan 8.240 nan 0.000 0.473 385 G N -0.079 108.739 108.800 0.030 0.000 2.756 385 G HA2 0.489 4.449 3.960 -0.000 0.000 0.678 385 G HA3 0.489 4.449 3.960 -0.000 0.000 0.678 385 G C 0.115 175.026 174.900 0.019 0.000 1.349 385 G CA -0.081 45.031 45.100 0.021 0.000 0.847 385 G HN 2.782 nan 8.290 nan 0.000 0.548 386 G N -1.222 107.584 108.800 0.010 0.000 2.465 386 G HA2 0.400 4.360 3.960 -0.000 0.000 0.681 386 G HA3 0.400 4.360 3.960 -0.000 0.000 0.681 386 G C 0.287 175.177 174.900 -0.017 0.000 1.340 386 G CA 0.472 45.581 45.100 0.014 0.000 0.884 386 G HN 1.082 nan 8.290 nan 0.000 0.650 387 K N -0.638 119.758 120.400 -0.006 0.000 2.167 387 K HA 0.111 4.431 4.320 -0.000 0.000 0.203 387 K C 0.098 176.495 176.600 -0.339 0.000 1.052 387 K CA 1.103 57.316 56.287 -0.124 0.000 0.956 387 K CB 0.203 32.687 32.500 -0.026 0.000 0.735 387 K HN 0.494 nan 8.250 nan 0.000 0.451 388 Y N -1.255 119.022 120.300 -0.038 0.000 2.425 388 Y HA 0.313 4.863 4.550 -0.000 0.000 0.344 388 Y C 0.715 176.591 175.900 -0.040 0.000 0.969 388 Y CA -0.886 57.188 58.100 -0.043 0.000 1.052 388 Y CB 1.893 40.316 38.460 -0.060 0.000 1.215 388 Y HN -0.170 nan 8.280 nan 0.000 0.451 389 A N 1.875 124.754 122.820 0.098 0.000 1.855 389 A HA 0.190 4.510 4.320 -0.000 0.000 0.213 389 A C 0.173 177.781 177.584 0.039 0.000 1.195 389 A CA 1.064 53.136 52.037 0.059 0.000 0.610 389 A CB -0.058 18.971 19.000 0.047 0.000 0.837 389 A HN 0.411 nan 8.150 nan 0.000 0.444 390 V N -0.047 119.892 119.914 0.041 0.000 2.525 390 V HA 0.506 4.626 4.120 -0.000 0.000 0.299 390 V C -0.411 175.665 176.094 -0.031 0.000 1.034 390 V CA -0.604 61.680 62.300 -0.027 0.000 0.863 390 V CB 1.449 33.233 31.823 -0.066 0.000 0.999 390 V HN 0.484 nan 8.190 nan 0.000 0.423 391 R N 5.315 125.744 120.500 -0.118 0.000 2.468 391 R HA 0.696 5.036 4.340 -0.000 0.000 0.302 391 R C -1.745 174.423 176.300 -0.220 0.000 1.041 391 R CA -0.428 55.538 56.100 -0.223 0.000 0.899 391 R CB 1.141 31.163 30.300 -0.464 0.000 1.167 391 R HN 0.743 nan 8.270 nan 0.000 0.483 392 I N 3.729 124.178 120.570 -0.201 0.000 2.468 392 I HA 0.295 4.465 4.170 -0.000 0.000 0.284 392 I C -0.933 175.068 176.117 -0.192 0.000 1.038 392 I CA -0.694 60.495 61.300 -0.184 0.000 1.083 392 I CB 2.199 40.097 38.000 -0.170 0.000 1.223 392 I HN 0.509 nan 8.210 nan 0.000 0.443 393 E N 4.008 124.109 120.200 -0.165 0.000 2.191 393 E HA 0.601 4.951 4.350 -0.000 0.000 0.263 393 E C 0.063 176.622 176.600 -0.069 0.000 0.881 393 E CA -0.405 55.911 56.400 -0.140 0.000 0.757 393 E CB 2.303 31.929 29.700 -0.123 0.000 1.147 393 E HN 0.676 nan 8.360 nan 0.000 0.414 394 G N 2.373 111.156 108.800 -0.028 0.000 2.890 394 G HA2 0.690 4.650 3.960 -0.000 0.000 0.189 394 G HA3 0.690 4.650 3.960 -0.000 0.000 0.189 394 G C -0.752 174.217 174.900 0.115 0.000 1.342 394 G CA -0.652 44.461 45.100 0.021 0.000 1.026 394 G HN 0.341 nan 8.290 nan 0.000 0.579 395 L N -0.748 120.492 121.223 0.028 0.000 2.341 395 L HA 0.413 4.753 4.340 -0.000 0.000 0.267 395 L C 1.143 177.804 176.870 -0.349 0.000 1.009 395 L CA -0.639 54.128 54.840 -0.122 0.000 0.819 395 L CB 2.553 44.568 42.059 -0.073 0.000 1.323 395 L HN 0.658 nan 8.230 nan 0.000 0.425 396 E N 1.075 120.793 120.200 -0.803 0.000 2.130 396 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 396 E C 0.794 177.308 176.600 -0.144 0.000 0.998 396 E CA 1.670 57.644 56.400 -0.710 0.000 0.806 396 E CB -0.013 29.276 29.700 -0.685 0.000 0.738 396 E HN 0.651 nan 8.360 nan 0.000 0.459 397 N N 0.111 118.741 118.700 -0.118 0.000 2.276 397 N HA -0.025 4.715 4.740 -0.000 0.000 0.212 397 N C -0.711 174.806 175.510 0.012 0.000 1.127 397 N CA 0.339 53.365 53.050 -0.040 0.000 0.834 397 N CB 0.728 39.178 38.487 -0.061 0.000 1.014 397 N HN -0.082 nan 8.380 nan 0.000 0.491 398 D N 0.070 120.515 120.400 0.075 0.000 2.668 398 D HA 0.097 4.737 4.640 -0.000 0.000 0.234 398 D C -1.335 175.075 176.300 0.183 0.000 1.349 398 D CA -0.384 53.675 54.000 0.100 0.000 0.889 398 D CB -0.339 40.486 40.800 0.041 0.000 1.520 398 D HN -0.118 nan 8.370 nan 0.000 0.521 399 Y N 0.463 120.765 120.300 0.002 0.000 2.480 399 Y HA 0.198 4.748 4.550 -0.000 0.000 0.338 399 Y C 1.059 176.963 175.900 0.007 0.000 1.220 399 Y CA -0.287 57.833 58.100 0.034 0.000 1.430 399 Y CB 0.790 39.272 38.460 0.036 0.000 1.311 399 Y HN 0.038 nan 8.280 nan 0.000 0.575 400 V N 4.972 124.935 119.914 0.083 0.000 2.572 400 V HA 0.111 4.231 4.120 -0.000 0.000 0.291 400 V C -0.009 176.112 176.094 0.044 0.000 1.039 400 V CA -0.443 61.867 62.300 0.017 0.000 1.055 400 V CB 0.207 31.996 31.823 -0.058 0.000 0.969 400 V HN 0.607 nan 8.190 nan 0.000 0.482 401 K N 2.690 123.098 120.400 0.013 0.000 2.318 401 K HA 0.425 4.745 4.320 -0.000 0.000 0.249 401 K C -0.215 176.360 176.600 -0.042 0.000 0.942 401 K CA -0.848 55.452 56.287 0.023 0.000 0.808 401 K CB 1.247 33.767 32.500 0.033 0.000 1.189 401 K HN 0.685 nan 8.250 nan 0.000 0.428 402 D N 1.926 122.321 120.400 -0.008 0.000 2.737 402 D HA -0.156 4.484 4.640 -0.000 0.000 0.238 402 D C -0.941 175.237 176.300 -0.203 0.000 1.157 402 D CA 0.432 54.404 54.000 -0.045 0.000 0.694 402 D CB -0.514 40.266 40.800 -0.033 0.000 1.021 402 D HN 0.311 nan 8.370 nan 0.000 0.420 403 I N 1.275 121.750 120.570 -0.157 0.000 2.336 403 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 403 I C 0.412 176.451 176.117 -0.131 0.000 0.991 403 I CA -0.853 60.309 61.300 -0.229 0.000 1.227 403 I CB 1.072 38.963 38.000 -0.181 0.000 1.366 403 I HN 0.189 nan 8.210 nan 0.000 0.466 404 L N 8.299 129.440 121.223 -0.136 0.000 2.381 404 L HA 0.606 4.946 4.340 -0.000 0.000 0.274 404 L C -0.855 176.057 176.870 0.069 0.000 0.988 404 L CA -0.137 54.730 54.840 0.046 0.000 0.824 404 L CB 1.518 43.715 42.059 0.231 0.000 1.263 404 L HN 0.374 nan 8.230 nan 0.000 0.410 405 I N 4.260 124.863 120.570 0.054 0.000 2.406 405 I HA 0.625 4.795 4.170 -0.000 0.000 0.290 405 I C -0.448 175.723 176.117 0.090 0.000 0.999 405 I CA -0.370 60.970 61.300 0.066 0.000 1.124 405 I CB 1.883 39.893 38.000 0.016 0.000 1.289 405 I HN 0.732 nan 8.210 nan 0.000 0.441 406 S N 2.841 118.610 115.700 0.115 0.000 2.546 406 S HA 0.443 4.913 4.470 -0.000 0.000 0.274 406 S C -0.733 173.929 174.600 0.104 0.000 1.121 406 S CA -0.815 57.451 58.200 0.110 0.000 0.887 406 S CB 2.051 65.320 63.200 0.115 0.000 1.094 406 S HN 0.701 nan 8.310 nan 0.000 0.474 407 D N 0.099 120.555 120.400 0.093 0.000 2.689 407 D HA -0.110 4.530 4.640 -0.000 0.000 0.237 407 D C -0.576 175.774 176.300 0.083 0.000 1.148 407 D CA 1.524 55.572 54.000 0.080 0.000 0.656 407 D CB -1.716 39.125 40.800 0.069 0.000 1.050 407 D HN 0.657 nan 8.370 nan 0.000 0.426 408 T N 0.265 114.876 114.554 0.094 0.000 2.876 408 T HA 0.719 5.069 4.350 -0.000 0.000 0.289 408 T C 0.468 175.226 174.700 0.097 0.000 1.014 408 T CA -0.522 61.636 62.100 0.097 0.000 0.986 408 T CB 1.854 70.786 68.868 0.107 0.000 1.021 408 T HN 0.033 nan 8.240 nan 0.000 0.458 409 I N 3.624 124.246 120.570 0.086 0.000 2.439 409 I HA 0.495 4.665 4.170 -0.000 0.000 0.285 409 I C -0.861 175.302 176.117 0.078 0.000 1.021 409 I CA -0.691 60.657 61.300 0.079 0.000 1.091 409 I CB 1.596 39.632 38.000 0.060 0.000 1.242 409 I HN 0.445 nan 8.210 nan 0.000 0.439 410 I N 6.088 126.706 120.570 0.080 0.000 2.410 410 I HA 0.360 4.530 4.170 -0.000 0.000 0.286 410 I C -0.431 175.721 176.117 0.058 0.000 1.009 410 I CA -0.417 60.926 61.300 0.071 0.000 1.111 410 I CB 1.583 39.627 38.000 0.073 0.000 1.262 410 I HN 0.544 nan 8.210 nan 0.000 0.443 411 E N 3.962 124.190 120.200 0.046 0.000 2.195 411 E HA 0.547 4.897 4.350 -0.000 0.000 0.271 411 E C 0.628 177.243 176.600 0.026 0.000 0.923 411 E CA -0.487 55.933 56.400 0.033 0.000 0.790 411 E CB 1.936 31.653 29.700 0.029 0.000 1.155 411 E HN 0.856 nan 8.360 nan 0.000 0.402 412 G N 1.687 110.496 108.800 0.016 0.000 2.162 412 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 412 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 412 G C 0.293 175.192 174.900 -0.003 0.000 0.976 412 G CA 0.083 45.186 45.100 0.006 0.000 0.655 412 G HN 0.721 nan 8.290 nan 0.000 0.533 413 A N -0.181 122.639 122.820 0.000 0.000 2.363 413 A HA 0.712 5.032 4.320 -0.000 0.000 0.270 413 A C 1.295 178.850 177.584 -0.049 0.000 1.121 413 A CA 0.792 52.817 52.037 -0.019 0.000 0.800 413 A CB 0.457 19.457 19.000 0.001 0.000 1.052 413 A HN 0.349 nan 8.150 nan 0.000 0.493 414 K N 1.474 121.816 120.400 -0.097 0.000 2.025 414 K HA 0.029 4.349 4.320 -0.000 0.000 0.207 414 K C -0.086 176.425 176.600 -0.149 0.000 1.049 414 K CA 1.145 57.357 56.287 -0.124 0.000 0.933 414 K CB -0.130 32.277 32.500 -0.155 0.000 0.714 414 K HN 0.710 nan 8.250 nan 0.000 0.438 415 I N 0.788 121.216 120.570 -0.237 0.000 2.354 415 I HA 0.021 4.191 4.170 -0.000 0.000 0.292 415 I C 0.792 176.868 176.117 -0.068 0.000 0.989 415 I CA -0.231 60.950 61.300 -0.198 0.000 1.188 415 I CB 2.147 39.912 38.000 -0.393 0.000 1.342 415 I HN 0.028 nan 8.210 nan 0.000 0.457 416 S N 3.997 119.696 115.700 -0.001 0.000 2.348 416 S HA 0.074 4.544 4.470 -0.000 0.000 0.219 416 S C 0.478 175.098 174.600 0.033 0.000 1.033 416 S CA 0.587 58.815 58.200 0.046 0.000 0.974 416 S CB 0.228 63.497 63.200 0.115 0.000 0.868 416 S HN 0.426 nan 8.310 nan 0.000 0.459 417 V N 1.755 121.681 119.914 0.020 0.000 2.623 417 V HA 0.489 4.609 4.120 -0.000 0.000 0.304 417 V C -1.015 175.091 176.094 0.019 0.000 1.054 417 V CA -0.584 61.708 62.300 -0.013 0.000 0.882 417 V CB 1.856 33.617 31.823 -0.102 0.000 1.002 417 V HN 0.339 nan 8.190 nan 0.000 0.424 418 L N 5.906 127.154 121.223 0.041 0.000 2.319 418 L HA 0.765 5.105 4.340 -0.000 0.000 0.281 418 L C -1.388 175.411 176.870 -0.118 0.000 1.005 418 L CA -0.636 54.199 54.840 -0.008 0.000 0.828 418 L CB 1.404 43.504 42.059 0.069 0.000 1.227 418 L HN 0.646 nan 8.230 nan 0.000 0.415 419 L N 4.892 126.020 121.223 -0.158 0.000 2.356 419 L HA 0.554 4.894 4.340 -0.000 0.000 0.277 419 L C -0.995 175.690 176.870 -0.309 0.000 0.996 419 L CA 0.091 54.801 54.840 -0.218 0.000 0.822 419 L CB 1.834 43.770 42.059 -0.204 0.000 1.256 419 L HN 0.692 nan 8.230 nan 0.000 0.413 420 E N 4.824 124.790 120.200 -0.390 0.000 2.316 420 E HA 0.402 4.752 4.350 -0.000 0.000 0.254 420 E C -1.359 174.807 176.600 -0.722 0.000 0.902 420 E CA -0.581 55.410 56.400 -0.682 0.000 0.801 420 E CB 0.548 29.881 29.700 -0.612 0.000 1.270 420 E HN 0.528 nan 8.360 nan 0.000 0.414 421 F N 0.981 120.624 119.950 -0.511 0.000 2.803 421 F HA -0.154 4.373 4.527 -0.000 0.000 0.323 421 F C 0.159 175.317 175.800 -1.069 0.000 1.033 421 F CA 0.956 58.270 58.000 -1.143 0.000 1.066 421 F CB -1.589 36.927 39.000 -0.806 0.000 1.283 421 F HN 0.505 nan 8.300 nan 0.000 0.816 422 G N 0.069 108.532 108.800 -0.561 0.000 2.660 422 G HA2 0.665 4.625 3.960 -0.000 0.000 0.290 422 G HA3 0.665 4.625 3.960 -0.000 0.000 0.290 422 G C -1.597 173.303 174.900 -0.000 0.000 1.432 422 G CA -1.021 43.984 45.100 -0.158 0.000 0.807 422 G HN 0.141 nan 8.290 nan 0.000 0.485 423 Q N -0.342 119.470 119.800 0.021 0.000 2.333 423 Q HA 0.578 4.918 4.340 -0.000 0.000 0.268 423 Q C -1.404 174.535 176.000 -0.102 0.000 1.007 423 Q CA -0.679 55.098 55.803 -0.042 0.000 0.810 423 Q CB 2.725 31.517 28.738 0.091 0.000 1.264 423 Q HN 0.380 nan 8.270 nan 0.000 0.452 424 L N 1.520 122.617 121.223 -0.210 0.000 2.385 424 L HA 0.781 5.121 4.340 -0.000 0.000 0.273 424 L C -0.731 176.077 176.870 -0.103 0.000 0.990 424 L CA -0.151 54.597 54.840 -0.154 0.000 0.821 424 L CB 1.957 43.906 42.059 -0.185 0.000 1.279 424 L HN 0.594 nan 8.230 nan 0.000 0.412 425 G N 5.449 114.261 108.800 0.021 0.000 2.461 425 G HA2 0.667 4.627 3.960 -0.000 0.000 0.323 425 G HA3 0.667 4.627 3.960 -0.000 0.000 0.323 425 G C -1.117 173.799 174.900 0.027 0.000 1.229 425 G CA -0.622 44.540 45.100 0.104 0.000 0.941 425 G HN 0.514 nan 8.290 nan 0.000 0.477 426 M N 1.690 121.299 119.600 0.014 0.000 2.327 426 M HA 0.395 4.875 4.480 -0.000 0.000 0.298 426 M C -1.163 175.182 176.300 0.076 0.000 1.065 426 M CA -0.504 54.799 55.300 0.005 0.000 0.916 426 M CB 3.088 35.614 32.600 -0.124 0.000 1.630 426 M HN 0.465 nan 8.290 nan 0.000 0.442 427 E N 1.863 122.121 120.200 0.096 0.000 2.241 427 E HA 0.281 4.630 4.350 -0.000 0.000 0.263 427 E C -0.728 175.939 176.600 0.112 0.000 0.882 427 E CA -0.746 55.718 56.400 0.108 0.000 0.769 427 E CB 1.499 31.255 29.700 0.093 0.000 1.185 427 E HN 0.716 nan 8.360 nan 0.000 0.415 428 N N 1.530 120.302 118.700 0.121 0.000 2.708 428 N HA -0.168 4.572 4.740 -0.000 0.000 0.255 428 N C -1.846 173.741 175.510 0.128 0.000 1.046 428 N CA 0.401 53.516 53.050 0.108 0.000 0.715 428 N CB -0.700 37.834 38.487 0.079 0.000 0.895 428 N HN 0.236 nan 8.380 nan 0.000 0.545 429 V N 2.290 122.319 119.914 0.191 0.000 2.555 429 V HA 0.603 4.723 4.120 -0.000 0.000 0.302 429 V C 0.674 176.921 176.094 0.255 0.000 1.038 429 V CA -0.701 61.733 62.300 0.223 0.000 0.887 429 V CB 1.817 33.781 31.823 0.235 0.000 0.991 429 V HN 0.239 nan 8.190 nan 0.000 0.434 430 I N 5.060 125.731 120.570 0.168 0.000 2.406 430 I HA 0.548 4.718 4.170 -0.000 0.000 0.290 430 I C -0.453 175.741 176.117 0.128 0.000 0.999 430 I CA -0.328 61.032 61.300 0.100 0.000 1.124 430 I CB 1.781 39.805 38.000 0.041 0.000 1.289 430 I HN 0.421 nan 8.210 nan 0.000 0.441 431 M N 6.000 125.673 119.600 0.122 0.000 2.067 431 M HA 0.352 4.832 4.480 -0.000 0.000 0.286 431 M C -0.104 176.226 176.300 0.051 0.000 0.922 431 M CA -0.406 54.969 55.300 0.126 0.000 0.937 431 M CB 1.375 34.117 32.600 0.237 0.000 1.550 431 M HN 0.668 nan 8.290 nan 0.000 0.433 432 N N 1.415 120.132 118.700 0.029 0.000 1.194 432 N HA -0.224 4.516 4.740 -0.000 0.000 0.131 432 N C 1.016 176.513 175.510 -0.022 0.000 0.688 432 N CA 2.318 55.370 53.050 0.004 0.000 0.927 432 N CB -1.065 37.425 38.487 0.005 0.000 1.224 432 N HN 0.954 nan 8.380 nan 0.000 0.529 433 G N -0.447 108.332 108.800 -0.035 0.000 3.088 433 G HA2 0.266 4.226 3.960 -0.000 0.000 0.212 433 G HA3 0.266 4.226 3.960 -0.000 0.000 0.212 433 G C -0.182 174.651 174.900 -0.111 0.000 1.173 433 G CA 0.524 45.589 45.100 -0.059 0.000 0.779 433 G HN 0.363 nan 8.290 nan 0.000 0.540 434 S N 0.412 116.019 115.700 -0.156 0.000 2.462 434 S HA 0.617 5.087 4.470 -0.000 0.000 0.294 434 S C -0.216 174.058 174.600 -0.543 0.000 1.144 434 S CA -0.716 57.263 58.200 -0.369 0.000 1.088 434 S CB 1.382 64.374 63.200 -0.346 0.000 1.009 434 S HN 0.460 nan 8.310 nan 0.000 0.484 435 R N 1.703 121.802 120.500 -0.668 0.000 2.561 435 R HA 0.521 4.861 4.340 -0.000 0.000 0.297 435 R C -1.729 174.202 176.300 -0.616 0.000 0.969 435 R CA -0.599 55.198 56.100 -0.505 0.000 0.879 435 R CB 1.013 31.187 30.300 -0.210 0.000 1.178 435 R HN 0.455 nan 8.270 nan 0.000 0.445 436 F N 1.553 121.515 119.950 0.021 0.000 2.366 436 F HA 0.262 4.789 4.527 -0.000 0.000 0.366 436 F C 1.551 177.369 175.800 0.030 0.000 1.096 436 F CA -0.874 57.142 58.000 0.026 0.000 1.060 436 F CB 1.548 40.565 39.000 0.027 0.000 1.282 436 F HN 0.701 nan 8.300 nan 0.000 0.450 437 E N 2.836 123.123 120.200 0.145 0.000 2.047 437 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 437 E C 0.179 176.856 176.600 0.128 0.000 0.987 437 E CA 1.130 57.595 56.400 0.108 0.000 0.799 437 E CB 0.345 30.085 29.700 0.067 0.000 0.752 437 E HN 0.511 nan 8.360 nan 0.000 0.449 438 K N 0.401 120.889 120.400 0.145 0.000 2.619 438 K HA 0.308 4.628 4.320 -0.000 0.000 0.251 438 K C -1.890 174.803 176.600 0.154 0.000 0.987 438 K CA -0.399 55.968 56.287 0.134 0.000 0.844 438 K CB 1.312 33.870 32.500 0.097 0.000 1.237 438 K HN 0.115 nan 8.250 nan 0.000 0.447 439 L N 4.656 125.963 121.223 0.139 0.000 2.365 439 L HA 0.625 4.965 4.340 -0.000 0.000 0.273 439 L C -1.860 175.085 176.870 0.126 0.000 1.000 439 L CA -0.756 54.145 54.840 0.102 0.000 0.819 439 L CB 1.264 43.304 42.059 -0.032 0.000 1.284 439 L HN 0.759 nan 8.230 nan 0.000 0.418 440 Y N 5.457 125.756 120.300 -0.003 0.000 2.386 440 Y HA 0.706 5.256 4.550 -0.000 0.000 0.334 440 Y C -1.469 174.425 175.900 -0.011 0.000 1.002 440 Y CA -0.821 57.274 58.100 -0.009 0.000 1.068 440 Y CB 1.441 39.906 38.460 0.009 0.000 1.203 440 Y HN 0.485 nan 8.280 nan 0.000 0.443 441 I N 5.569 125.713 120.570 -0.710 0.000 2.582 441 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 441 I C -1.128 174.568 176.117 -0.702 0.000 1.066 441 I CA -0.828 60.134 61.300 -0.564 0.000 1.053 441 I CB 2.341 40.172 38.000 -0.281 0.000 1.241 441 I HN 0.607 nan 8.210 nan 0.000 0.421 442 E N 4.518 124.457 120.200 -0.436 0.000 2.218 442 E HA 0.650 5.000 4.350 -0.000 0.000 0.263 442 E C -0.160 176.459 176.600 0.031 0.000 0.879 442 E CA -0.235 56.078 56.400 -0.146 0.000 0.762 442 E CB 1.863 31.550 29.700 -0.021 0.000 1.166 442 E HN 0.873 nan 8.360 nan 0.000 0.415 443 G N 4.353 113.218 108.800 0.108 0.000 2.130 443 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.151 443 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.151 443 G C -1.165 173.651 174.900 -0.141 0.000 1.173 443 G CA -0.691 44.466 45.100 0.094 0.000 1.278 443 G HN 0.451 nan 8.290 nan 0.000 0.479 444 K N 0.427 120.737 120.400 -0.150 0.000 2.316 444 K HA 0.793 5.113 4.320 -0.000 0.000 0.251 444 K C -0.539 175.965 176.600 -0.161 0.000 0.934 444 K CA -0.004 56.138 56.287 -0.240 0.000 0.802 444 K CB 2.295 34.638 32.500 -0.262 0.000 1.171 444 K HN 1.265 nan 8.250 nan 0.000 0.426 445 A N 2.159 124.879 122.820 -0.167 0.000 2.547 445 A HA 0.679 4.999 4.320 -0.000 0.000 0.297 445 A C -2.143 175.384 177.584 -0.095 0.000 1.056 445 A CA -0.634 51.334 52.037 -0.115 0.000 0.688 445 A CB 1.324 20.253 19.000 -0.118 0.000 1.282 445 A HN 0.516 nan 8.150 nan 0.000 0.400 446 L N 2.060 123.247 121.223 -0.060 0.000 2.406 446 L HA 0.817 5.157 4.340 -0.000 0.000 0.272 446 L C -1.972 174.890 176.870 -0.013 0.000 0.980 446 L CA -0.427 54.393 54.840 -0.032 0.000 0.831 446 L CB 1.472 43.516 42.059 -0.026 0.000 1.253 446 L HN 0.554 nan 8.230 nan 0.000 0.406 447 L N 5.557 126.779 121.223 -0.000 0.000 2.356 447 L HA 0.682 5.022 4.340 -0.000 0.000 0.277 447 L C -0.292 176.598 176.870 0.032 0.000 0.996 447 L CA -0.103 54.757 54.840 0.033 0.000 0.822 447 L CB 1.679 43.775 42.059 0.062 0.000 1.256 447 L HN 0.672 nan 8.230 nan 0.000 0.413 448 K N 0.000 120.416 120.400 0.027 0.000 2.780 448 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 448 K CA 0.000 56.288 56.287 0.001 0.000 0.838 448 K CB 0.000 32.485 32.500 -0.025 0.000 1.064 448 K HN 0.000 nan 8.250 nan 0.000 0.543