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 3kfb_1_C DATA FIRST_RESID 11 DATA SEQUENCE NMKRYMGRDA QRMNILAGRI IAETVRSTLG PKGMDKMLVD DLGDVVVTND DATA SEQUENCE GVTILREMSV EHPAAKMLIE VAKTQEKEVG DGTTTAVVVA GELLRKAEEL DATA SEQUENCE LDQNVHPTIV VKGYQAAAQK AQELLKTIAC EVGAQDKEIL TKIAMTSITG DATA SEQUENCE KGAEKAKEKL AEIIVEAVSA VVDDEGKVDK DLIKIEKKSG ASIDDTELIK DATA SEQUENCE GVLVDKERVS AQMPKKVTDA KIALLNCAIE IKETETDAEI RITDPAKLME DATA SEQUENCE FIEQEEKMLK DMVAEIKASG ANVLFCQKGI DDLAQHYLAK EGIVAARRVK DATA SEQUENCE KSDMEKLAKA TGANVITNIK DLSAQDLGDA GLVEERKISG DSMIFVEECK DATA SEQUENCE HPKAVTMLIR GTTEHVIEEV ARAVDDAVGV VGCTIEDGRI VSGGGSTEVE DATA SEQUENCE LSMKLREYAE GISGREQLAV RAFADALEVI PRTLAENAGL DAIEILVKVR DATA SEQUENCE AAHASNGNKc AGLNVFTGAV EDMcENGVVE PLRVKTQAIQ SAAESTEMLL DATA SEQUENCE RIDDVIAAE 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 11 N HA 0.000 nan 4.740 nan 0.000 0.220 11 N C 0.000 175.478 175.510 -0.053 0.000 1.280 11 N CA 0.000 53.025 53.050 -0.042 0.000 0.885 11 N CB 0.000 38.468 38.487 -0.031 0.000 1.341 12 M N 0.777 120.336 119.600 -0.069 0.000 2.817 12 M HA 0.251 4.731 4.480 -0.001 0.000 0.228 12 M C -0.287 175.951 176.300 -0.104 0.000 1.644 12 M CA 0.569 55.827 55.300 -0.070 0.000 1.177 12 M CB 0.656 33.223 32.600 -0.056 0.000 1.302 12 M HN 0.227 nan 8.290 nan 0.000 0.565 13 K N 1.158 121.467 120.400 -0.152 0.000 2.507 13 K HA 0.524 4.843 4.320 -0.001 0.000 0.252 13 K C -1.054 175.302 176.600 -0.406 0.000 0.943 13 K CA -0.403 55.723 56.287 -0.269 0.000 0.808 13 K CB 2.943 35.287 32.500 -0.261 0.000 1.142 13 K HN 0.010 nan 8.250 nan 0.000 0.426 14 R N 3.053 123.271 120.500 -0.470 0.000 2.538 14 R HA 0.319 4.659 4.340 -0.001 0.000 0.292 14 R C -1.562 174.467 176.300 -0.453 0.000 1.008 14 R CA -0.621 55.228 56.100 -0.418 0.000 0.896 14 R CB 0.912 31.102 30.300 -0.184 0.000 1.187 14 R HN 0.460 nan 8.270 nan 0.000 0.440 15 Y N 3.882 124.179 120.300 -0.005 0.000 2.328 15 Y HA 0.414 4.963 4.550 -0.001 0.000 0.337 15 Y C 0.303 176.202 175.900 -0.001 0.000 1.008 15 Y CA -0.949 57.151 58.100 -0.000 0.000 1.129 15 Y CB 1.544 40.008 38.460 0.007 0.000 1.185 15 Y HN 0.232 nan 8.280 nan 0.000 0.476 16 M N 2.776 122.457 119.600 0.136 0.000 2.180 16 M HA 0.332 4.812 4.480 -0.001 0.000 0.350 16 M C 1.103 177.435 176.300 0.055 0.000 1.125 16 M CA -0.069 55.271 55.300 0.067 0.000 1.031 16 M CB 0.864 33.487 32.600 0.038 0.000 1.623 16 M HN 0.981 nan 8.290 nan 0.000 0.451 17 G N 4.556 113.376 108.800 0.034 0.000 2.774 17 G HA2 -0.413 3.547 3.960 -0.001 0.000 0.342 17 G HA3 -0.413 3.547 3.960 -0.001 0.000 0.342 17 G C 1.086 175.988 174.900 0.005 0.000 1.185 17 G CA 1.100 46.205 45.100 0.009 0.000 0.956 17 G HN 0.697 nan 8.290 nan 0.000 0.561 18 R N 0.879 121.377 120.500 -0.002 0.000 2.152 18 R HA 0.089 4.429 4.340 -0.001 0.000 0.232 18 R C 2.199 178.497 176.300 -0.003 0.000 1.117 18 R CA 1.596 57.690 56.100 -0.010 0.000 0.981 18 R CB -0.278 30.014 30.300 -0.013 0.000 0.870 18 R HN 0.535 nan 8.270 nan 0.000 0.451 19 D N 0.365 120.776 120.400 0.018 0.000 2.137 19 D HA -0.038 4.601 4.640 -0.001 0.000 0.202 19 D C 1.831 178.134 176.300 0.006 0.000 0.970 19 D CA 1.483 55.492 54.000 0.015 0.000 0.837 19 D CB -0.237 40.606 40.800 0.072 0.000 0.981 19 D HN 0.232 nan 8.370 nan 0.000 0.475 20 A N 0.745 123.608 122.820 0.072 0.000 1.930 20 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 20 A C 2.113 179.719 177.584 0.036 0.000 1.175 20 A CA 1.239 53.332 52.037 0.092 0.000 0.627 20 A CB -0.539 18.539 19.000 0.129 0.000 0.815 20 A HN 0.173 nan 8.150 nan 0.000 0.443 21 Q N -1.076 118.732 119.800 0.013 0.000 2.079 21 Q HA -0.135 4.205 4.340 -0.001 0.000 0.200 21 Q C 2.346 178.333 176.000 -0.021 0.000 0.974 21 Q CA 1.560 57.360 55.803 -0.006 0.000 0.840 21 Q CB -0.134 28.592 28.738 -0.020 0.000 0.898 21 Q HN 0.655 nan 8.270 nan 0.000 0.430 22 R N -0.098 120.383 120.500 -0.032 0.000 2.115 22 R HA -0.090 4.250 4.340 -0.001 0.000 0.226 22 R C 2.103 178.362 176.300 -0.068 0.000 1.100 22 R CA 0.811 56.883 56.100 -0.047 0.000 0.980 22 R CB 0.021 30.293 30.300 -0.046 0.000 0.875 22 R HN 0.173 nan 8.270 nan 0.000 0.445 23 M N 1.012 120.563 119.600 -0.082 0.000 2.086 23 M HA -0.141 4.339 4.480 -0.001 0.000 0.261 23 M C 1.271 177.535 176.300 -0.060 0.000 1.067 23 M CA 1.802 57.043 55.300 -0.098 0.000 1.116 23 M CB -0.236 32.250 32.600 -0.190 0.000 1.348 23 M HN 0.089 nan 8.290 nan 0.000 0.407 24 N N 0.134 118.823 118.700 -0.018 0.000 2.109 24 N HA -0.029 4.710 4.740 -0.001 0.000 0.188 24 N C 1.873 177.330 175.510 -0.088 0.000 1.034 24 N CA 1.771 54.803 53.050 -0.031 0.000 0.846 24 N CB -0.598 37.907 38.487 0.031 0.000 1.010 24 N HN 0.415 nan 8.380 nan 0.000 0.425 25 I N 0.933 121.469 120.570 -0.057 0.000 2.248 25 I HA -0.246 3.924 4.170 -0.001 0.000 0.248 25 I C 2.247 178.318 176.117 -0.076 0.000 1.107 25 I CA 0.830 62.099 61.300 -0.052 0.000 1.373 25 I CB -0.123 37.856 38.000 -0.035 0.000 1.055 25 I HN 0.114 nan 8.210 nan 0.000 0.418 26 L N 0.352 121.517 121.223 -0.098 0.000 2.072 26 L HA -0.134 4.206 4.340 -0.001 0.000 0.205 26 L C 2.720 179.496 176.870 -0.157 0.000 1.079 26 L CA 1.381 56.156 54.840 -0.108 0.000 0.752 26 L CB -0.272 41.726 42.059 -0.101 0.000 0.906 26 L HN 0.194 nan 8.230 nan 0.000 0.436 27 A N -0.382 122.277 122.820 -0.269 0.000 1.933 27 A HA -0.130 4.190 4.320 -0.001 0.000 0.218 27 A C 2.228 179.675 177.584 -0.229 0.000 1.175 27 A CA 1.606 53.401 52.037 -0.405 0.000 0.628 27 A CB -1.214 17.182 19.000 -1.006 0.000 0.814 27 A HN 0.529 nan 8.150 nan 0.000 0.444 28 G N -0.915 107.790 108.800 -0.158 0.000 2.396 28 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.214 28 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.214 28 G C 1.736 176.594 174.900 -0.070 0.000 1.166 28 G CA 0.612 45.658 45.100 -0.090 0.000 0.793 28 G HN 0.517 nan 8.290 nan 0.000 0.533 29 R N -0.449 120.009 120.500 -0.070 0.000 2.148 29 R HA 0.142 4.482 4.340 -0.001 0.000 0.227 29 R C 2.330 178.596 176.300 -0.056 0.000 1.103 29 R CA 0.702 56.768 56.100 -0.056 0.000 0.983 29 R CB -0.251 30.019 30.300 -0.051 0.000 0.874 29 R HN 0.390 nan 8.270 nan 0.000 0.451 30 I N 1.025 121.553 120.570 -0.070 0.000 2.584 30 I HA -0.140 4.029 4.170 -0.001 0.000 0.255 30 I C 2.006 178.094 176.117 -0.049 0.000 1.145 30 I CA 0.812 62.076 61.300 -0.060 0.000 1.462 30 I CB 0.231 38.190 38.000 -0.068 0.000 1.102 30 I HN 0.120 nan 8.210 nan 0.000 0.433 31 I N -2.012 118.527 120.570 -0.052 0.000 3.226 31 I HA 0.144 4.314 4.170 -0.001 0.000 0.277 31 I C 2.221 178.319 176.117 -0.032 0.000 1.243 31 I CA 0.885 62.163 61.300 -0.036 0.000 1.459 31 I CB -0.387 37.594 38.000 -0.031 0.000 1.093 31 I HN -0.022 nan 8.210 nan 0.000 0.453 32 A N 1.377 124.175 122.820 -0.037 0.000 2.067 32 A HA -0.022 4.298 4.320 -0.001 0.000 0.217 32 A C 2.114 179.678 177.584 -0.034 0.000 1.156 32 A CA 1.030 53.046 52.037 -0.035 0.000 0.683 32 A CB -0.471 18.506 19.000 -0.039 0.000 0.808 32 A HN 0.563 nan 8.150 nan 0.000 0.455 33 E N -0.834 119.345 120.200 -0.034 0.000 2.435 33 E HA -0.034 4.316 4.350 -0.001 0.000 0.195 33 E C 1.389 177.973 176.600 -0.026 0.000 1.029 33 E CA 0.850 57.231 56.400 -0.031 0.000 0.865 33 E CB 0.010 29.692 29.700 -0.031 0.000 0.833 33 E HN 0.532 nan 8.360 nan 0.000 0.510 34 T N 0.341 114.880 114.554 -0.025 0.000 2.985 34 T HA -0.082 4.268 4.350 -0.001 0.000 0.266 34 T C 1.923 176.612 174.700 -0.018 0.000 1.076 34 T CA 1.166 63.254 62.100 -0.020 0.000 1.135 34 T CB 0.176 69.034 68.868 -0.018 0.000 0.890 34 T HN 0.172 nan 8.240 nan 0.000 0.480 35 V N -1.155 118.746 119.914 -0.020 0.000 3.621 35 V HA 0.359 4.478 4.120 -0.001 0.000 0.285 35 V C 2.004 178.085 176.094 -0.022 0.000 1.346 35 V CA -0.010 62.279 62.300 -0.019 0.000 1.104 35 V CB -0.527 31.286 31.823 -0.017 0.000 0.913 35 V HN 0.159 nan 8.190 nan 0.000 0.432 36 R N 2.196 122.681 120.500 -0.025 0.000 2.127 36 R HA -0.122 4.217 4.340 -0.001 0.000 0.238 36 R C 2.428 178.712 176.300 -0.028 0.000 1.134 36 R CA 1.899 57.981 56.100 -0.029 0.000 0.975 36 R CB -0.349 29.932 30.300 -0.031 0.000 0.865 36 R HN 0.788 nan 8.270 nan 0.000 0.447 37 S N -0.758 114.927 115.700 -0.024 0.000 2.607 37 S HA -0.059 4.411 4.470 -0.001 0.000 0.224 37 S C 1.681 176.268 174.600 -0.021 0.000 0.969 37 S CA 0.992 59.178 58.200 -0.023 0.000 0.927 37 S CB 0.099 63.286 63.200 -0.020 0.000 0.772 37 S HN 0.410 nan 8.310 nan 0.000 0.533 38 T N -0.749 113.794 114.554 -0.020 0.000 3.065 38 T HA 0.312 4.662 4.350 -0.001 0.000 0.252 38 T C 0.481 175.170 174.700 -0.018 0.000 1.099 38 T CA -0.390 61.701 62.100 -0.015 0.000 1.063 38 T CB -0.477 68.384 68.868 -0.011 0.000 0.948 38 T HN 0.390 nan 8.240 nan 0.000 0.506 39 L N 2.210 123.418 121.223 -0.024 0.000 2.361 39 L HA 0.543 4.883 4.340 -0.001 0.000 0.278 39 L C 0.743 177.592 176.870 -0.035 0.000 1.113 39 L CA 1.020 55.844 54.840 -0.027 0.000 0.849 39 L CB -0.207 41.833 42.059 -0.032 0.000 1.155 39 L HN 0.710 nan 8.230 nan 0.000 0.452 40 G N 4.133 112.914 108.800 -0.032 0.000 2.603 40 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.686 40 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.686 40 G C -2.615 172.265 174.900 -0.034 0.000 1.286 40 G CA -0.475 44.597 45.100 -0.046 0.000 0.871 40 G HN 0.453 nan 8.290 nan 0.000 0.568 41 P HA 0.068 nan 4.420 nan 0.000 0.221 41 P C 1.250 178.534 177.300 -0.026 0.000 1.150 41 P CA 1.196 64.296 63.100 0.000 0.000 0.800 41 P CB 0.161 31.861 31.700 -0.001 0.000 0.787 42 K N -0.240 120.100 120.400 -0.100 0.000 2.493 42 K HA 0.273 4.593 4.320 -0.001 0.000 0.207 42 K C 1.019 177.591 176.600 -0.046 0.000 1.033 42 K CA -0.028 56.213 56.287 -0.076 0.000 1.161 42 K CB 0.294 32.716 32.500 -0.130 0.000 0.873 42 K HN 0.083 nan 8.250 nan 0.000 0.491 43 G N 0.805 109.585 108.800 -0.033 0.000 2.537 43 G HA2 0.391 4.351 3.960 -0.001 0.000 0.273 43 G HA3 0.391 4.351 3.960 -0.001 0.000 0.273 43 G C 0.012 174.906 174.900 -0.011 0.000 1.189 43 G CA -0.468 44.618 45.100 -0.024 0.000 0.881 43 G HN -0.047 nan 8.290 nan 0.000 0.535 44 M N 0.461 120.055 119.600 -0.011 0.000 2.644 44 M HA 0.348 4.828 4.480 -0.001 0.000 0.316 44 M C -0.937 175.360 176.300 -0.006 0.000 1.200 44 M CA -0.768 54.528 55.300 -0.007 0.000 0.944 44 M CB 1.962 34.556 32.600 -0.010 0.000 1.691 44 M HN 0.363 nan 8.290 nan 0.000 0.471 45 D N 1.507 121.905 120.400 -0.004 0.000 2.348 45 D HA 0.449 5.088 4.640 -0.001 0.000 0.249 45 D C -0.225 176.070 176.300 -0.009 0.000 1.110 45 D CA -0.164 53.833 54.000 -0.004 0.000 0.967 45 D CB 1.128 41.927 40.800 -0.002 0.000 1.139 45 D HN 0.176 nan 8.370 nan 0.000 0.466 46 K N 0.531 120.926 120.400 -0.010 0.000 2.259 46 K HA 0.463 4.783 4.320 -0.001 0.000 0.249 46 K C -0.573 176.016 176.600 -0.018 0.000 0.942 46 K CA -0.778 55.501 56.287 -0.013 0.000 0.816 46 K CB 2.490 34.984 32.500 -0.010 0.000 1.155 46 K HN 0.402 nan 8.250 nan 0.000 0.428 47 M N 3.294 122.880 119.600 -0.024 0.000 2.114 47 M HA 0.294 4.774 4.480 -0.001 0.000 0.332 47 M C -1.650 174.634 176.300 -0.027 0.000 1.014 47 M CA -0.863 54.416 55.300 -0.035 0.000 0.956 47 M CB 0.522 33.094 32.600 -0.045 0.000 1.551 47 M HN 0.362 nan 8.290 nan 0.000 0.427 48 L N 6.164 127.373 121.223 -0.024 0.000 2.287 48 L HA 0.619 4.958 4.340 -0.001 0.000 0.287 48 L C -0.847 176.015 176.870 -0.013 0.000 1.022 48 L CA -0.361 54.471 54.840 -0.013 0.000 0.814 48 L CB 1.801 43.858 42.059 -0.003 0.000 1.217 48 L HN 0.461 nan 8.230 nan 0.000 0.420 49 V N 1.936 121.844 119.914 -0.010 0.000 2.628 49 V HA 0.589 4.708 4.120 -0.001 0.000 0.306 49 V C -0.375 175.720 176.094 0.002 0.000 1.045 49 V CA -0.783 61.513 62.300 -0.005 0.000 0.905 49 V CB 1.851 33.668 31.823 -0.010 0.000 0.997 49 V HN 0.823 nan 8.190 nan 0.000 0.436 50 D N 1.620 122.024 120.400 0.007 0.000 2.589 50 D HA 0.221 4.861 4.640 -0.001 0.000 0.268 50 D C 0.575 176.880 176.300 0.008 0.000 1.182 50 D CA -0.181 53.825 54.000 0.009 0.000 1.087 50 D CB 0.336 41.144 40.800 0.012 0.000 1.186 50 D HN 0.516 nan 8.370 nan 0.000 0.620 51 D N -0.936 119.469 120.400 0.009 0.000 2.234 51 D HA -0.055 4.585 4.640 -0.001 0.000 0.205 51 D C 1.800 178.105 176.300 0.008 0.000 0.962 51 D CA 0.653 54.657 54.000 0.008 0.000 0.855 51 D CB -0.342 40.463 40.800 0.007 0.000 0.951 51 D HN 0.257 nan 8.370 nan 0.000 0.500 52 L N -0.783 120.447 121.223 0.011 0.000 2.509 52 L HA 0.324 4.664 4.340 -0.001 0.000 0.222 52 L C 1.654 178.533 176.870 0.014 0.000 1.123 52 L CA 0.554 55.401 54.840 0.012 0.000 0.856 52 L CB 0.110 42.177 42.059 0.014 0.000 0.985 52 L HN 0.397 nan 8.230 nan 0.000 0.456 53 G N -0.749 108.059 108.800 0.014 0.000 2.176 53 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.232 53 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.232 53 G C -0.130 174.783 174.900 0.022 0.000 0.986 53 G CA -0.254 44.854 45.100 0.014 0.000 0.643 53 G HN 0.278 nan 8.290 nan 0.000 0.522 54 D N 0.698 121.115 120.400 0.029 0.000 2.401 54 D HA 0.377 5.016 4.640 -0.001 0.000 0.254 54 D C 0.390 176.718 176.300 0.046 0.000 1.192 54 D CA 0.273 54.302 54.000 0.049 0.000 0.885 54 D CB 1.988 42.816 40.800 0.047 0.000 1.147 54 D HN 0.338 nan 8.370 nan 0.000 0.478 55 V N 3.539 123.486 119.914 0.055 0.000 2.472 55 V HA 0.476 4.596 4.120 -0.001 0.000 0.290 55 V C -0.729 175.378 176.094 0.022 0.000 1.037 55 V CA -0.494 61.798 62.300 -0.014 0.000 0.908 55 V CB 1.925 33.678 31.823 -0.117 0.000 0.985 55 V HN 0.240 nan 8.190 nan 0.000 0.454 56 V N 7.071 126.985 119.914 0.001 0.000 2.525 56 V HA 0.551 4.671 4.120 -0.001 0.000 0.299 56 V C -0.714 175.372 176.094 -0.013 0.000 1.034 56 V CA -0.303 62.022 62.300 0.042 0.000 0.863 56 V CB 2.251 34.127 31.823 0.088 0.000 0.999 56 V HN 0.766 nan 8.190 nan 0.000 0.423 57 V N 6.036 125.933 119.914 -0.027 0.000 2.370 57 V HA 0.728 4.847 4.120 -0.001 0.000 0.279 57 V C 0.200 176.301 176.094 0.011 0.000 1.029 57 V CA 0.051 62.336 62.300 -0.026 0.000 0.870 57 V CB 1.436 33.227 31.823 -0.053 0.000 0.984 57 V HN 0.984 nan 8.190 nan 0.000 0.451 58 T N 2.898 117.457 114.554 0.007 0.000 2.853 58 T HA 0.284 4.633 4.350 -0.001 0.000 0.311 58 T C 0.233 174.937 174.700 0.007 0.000 1.307 58 T CA -0.521 61.587 62.100 0.013 0.000 1.019 58 T CB 1.921 70.799 68.868 0.018 0.000 1.264 58 T HN 0.613 nan 8.240 nan 0.000 0.497 59 N N 1.480 120.185 118.700 0.009 0.000 2.254 59 N HA 0.063 4.803 4.740 -0.001 0.000 0.190 59 N C -0.382 175.131 175.510 0.004 0.000 1.107 59 N CA -0.034 53.019 53.050 0.005 0.000 0.869 59 N CB 0.363 38.855 38.487 0.008 0.000 0.983 59 N HN 0.625 nan 8.380 nan 0.000 0.487 60 D N -0.288 120.116 120.400 0.006 0.000 2.371 60 D HA 0.170 4.810 4.640 -0.001 0.000 0.256 60 D C 1.348 177.649 176.300 0.002 0.000 1.193 60 D CA 0.134 54.137 54.000 0.005 0.000 0.881 60 D CB 1.139 41.944 40.800 0.008 0.000 1.143 60 D HN 0.263 nan 8.370 nan 0.000 0.473 61 G N 2.627 111.426 108.800 -0.001 0.000 2.484 61 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.215 61 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.215 61 G C 1.577 176.476 174.900 -0.002 0.000 1.219 61 G CA 0.674 45.772 45.100 -0.004 0.000 0.791 61 G HN 0.494 nan 8.290 nan 0.000 0.550 62 V N 1.866 121.780 119.914 -0.000 0.000 2.324 62 V HA -0.227 3.893 4.120 -0.001 0.000 0.250 62 V C 3.265 179.361 176.094 0.003 0.000 1.060 62 V CA 3.423 65.724 62.300 0.001 0.000 1.042 62 V CB -0.878 30.946 31.823 0.002 0.000 0.650 62 V HN 0.643 nan 8.190 nan 0.000 0.450 63 T N -2.114 112.443 114.554 0.005 0.000 2.962 63 T HA -0.079 4.271 4.350 -0.001 0.000 0.270 63 T C 1.769 176.474 174.700 0.008 0.000 1.088 63 T CA 1.710 63.814 62.100 0.008 0.000 1.127 63 T CB -0.476 68.398 68.868 0.011 0.000 0.883 63 T HN 0.520 nan 8.240 nan 0.000 0.493 64 I N 0.827 121.400 120.570 0.005 0.000 2.193 64 I HA -0.047 4.123 4.170 -0.001 0.000 0.240 64 I C 2.502 178.621 176.117 0.003 0.000 1.084 64 I CA 1.156 62.458 61.300 0.003 0.000 1.365 64 I CB -0.371 37.629 38.000 -0.001 0.000 1.064 64 I HN 0.181 nan 8.210 nan 0.000 0.410 65 L N 0.125 121.349 121.223 0.002 0.000 2.083 65 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 65 L C 2.771 179.645 176.870 0.006 0.000 1.083 65 L CA 1.355 56.197 54.840 0.003 0.000 0.752 65 L CB -0.618 41.441 42.059 0.001 0.000 0.899 65 L HN 0.164 nan 8.230 nan 0.000 0.433 66 R N 0.301 120.805 120.500 0.007 0.000 2.066 66 R HA -0.099 4.240 4.340 -0.001 0.000 0.232 66 R C 0.898 177.203 176.300 0.009 0.000 1.131 66 R CA 1.127 57.232 56.100 0.008 0.000 0.955 66 R CB -0.057 30.248 30.300 0.008 0.000 0.851 66 R HN 0.409 nan 8.270 nan 0.000 0.432 67 E N 0.931 121.137 120.200 0.009 0.000 2.411 67 E HA 0.110 4.460 4.350 -0.001 0.000 0.228 67 E C -0.283 176.323 176.600 0.010 0.000 1.169 67 E CA -0.196 56.211 56.400 0.011 0.000 1.421 67 E CB 0.384 30.092 29.700 0.013 0.000 1.333 67 E HN 0.259 nan 8.360 nan 0.000 0.434 68 M N -2.323 117.283 119.600 0.009 0.000 2.446 68 M HA 0.477 4.957 4.480 -0.001 0.000 0.294 68 M C -0.797 175.510 176.300 0.011 0.000 1.158 68 M CA -0.790 54.516 55.300 0.009 0.000 0.899 68 M CB 2.158 34.762 32.600 0.006 0.000 1.687 68 M HN -0.332 nan 8.290 nan 0.000 0.455 69 S N 2.507 118.214 115.700 0.012 0.000 2.686 69 S HA 0.336 4.806 4.470 -0.001 0.000 0.324 69 S C -0.269 174.343 174.600 0.020 0.000 1.172 69 S CA -0.516 57.693 58.200 0.015 0.000 1.127 69 S CB -0.625 62.583 63.200 0.013 0.000 1.338 69 S HN 0.452 nan 8.310 nan 0.000 0.547 70 V N 3.991 123.919 119.914 0.024 0.000 2.394 70 V HA 0.321 4.440 4.120 -0.001 0.000 0.282 70 V C 0.807 176.928 176.094 0.044 0.000 1.031 70 V CA -0.407 61.914 62.300 0.034 0.000 0.881 70 V CB 1.586 33.428 31.823 0.032 0.000 0.982 70 V HN 0.664 nan 8.190 nan 0.000 0.451 71 E N 1.044 121.280 120.200 0.059 0.000 2.453 71 E HA 0.080 4.429 4.350 -0.001 0.000 0.211 71 E C 0.524 177.167 176.600 0.071 0.000 0.897 71 E CA -0.067 56.364 56.400 0.051 0.000 1.063 71 E CB 0.249 29.968 29.700 0.031 0.000 1.080 71 E HN 0.690 nan 8.360 nan 0.000 0.512 72 H N 3.827 122.905 119.070 0.013 0.000 2.955 72 H HA 0.041 4.597 4.556 -0.001 0.000 0.290 72 H C -1.542 173.796 175.328 0.017 0.000 1.047 72 H CA -1.646 54.412 56.048 0.016 0.000 1.484 72 H CB 1.207 30.972 29.762 0.005 0.000 1.501 72 H HN -0.139 nan 8.280 nan 0.000 0.521 73 P HA -0.197 nan 4.420 nan 0.000 0.217 73 P C 1.102 178.521 177.300 0.199 0.000 1.151 73 P CA 1.848 65.031 63.100 0.139 0.000 0.849 73 P CB 0.125 31.862 31.700 0.062 0.000 0.787 74 A N 0.086 123.117 122.820 0.351 0.000 1.929 74 A HA 0.050 4.370 4.320 -0.001 0.000 0.216 74 A C 2.458 180.071 177.584 0.048 0.000 1.176 74 A CA 1.825 53.949 52.037 0.145 0.000 0.628 74 A CB -1.356 17.688 19.000 0.073 0.000 0.816 74 A HN 0.229 nan 8.150 nan 0.000 0.444 75 A N 0.089 122.928 122.820 0.033 0.000 1.898 75 A HA -0.121 4.199 4.320 -0.001 0.000 0.216 75 A C 2.048 179.650 177.584 0.032 0.000 1.181 75 A CA 1.710 53.747 52.037 0.000 0.000 0.620 75 A CB -0.441 18.551 19.000 -0.012 0.000 0.819 75 A HN 0.505 nan 8.150 nan 0.000 0.442 76 K N -0.922 119.515 120.400 0.061 0.000 2.160 76 K HA -0.105 4.215 4.320 -0.001 0.000 0.206 76 K C 1.835 178.456 176.600 0.035 0.000 1.047 76 K CA 1.787 58.101 56.287 0.046 0.000 0.930 76 K CB -0.252 32.279 32.500 0.051 0.000 0.720 76 K HN 0.506 nan 8.250 nan 0.000 0.450 77 M N -0.304 119.319 119.600 0.039 0.000 2.506 77 M HA -0.035 4.445 4.480 -0.001 0.000 0.260 77 M C 1.500 177.814 176.300 0.024 0.000 1.104 77 M CA 0.580 55.900 55.300 0.033 0.000 1.112 77 M CB 0.287 32.911 32.600 0.040 0.000 1.401 77 M HN 0.078 nan 8.290 nan 0.000 0.473 78 L N -0.289 120.944 121.223 0.016 0.000 2.477 78 L HA 0.134 4.474 4.340 -0.001 0.000 0.220 78 L C 1.774 178.647 176.870 0.005 0.000 1.106 78 L CA 0.847 55.691 54.840 0.007 0.000 0.851 78 L CB -0.000 42.056 42.059 -0.005 0.000 0.994 78 L HN 0.178 nan 8.230 nan 0.000 0.462 79 I N -0.783 119.792 120.570 0.008 0.000 2.439 79 I HA -0.185 3.985 4.170 -0.001 0.000 0.251 79 I C 1.997 178.120 176.117 0.009 0.000 1.139 79 I CA 0.618 61.922 61.300 0.007 0.000 1.438 79 I CB -0.238 37.768 38.000 0.010 0.000 1.085 79 I HN 0.244 nan 8.210 nan 0.000 0.427 80 E N 0.583 120.791 120.200 0.013 0.000 2.219 80 E HA -0.182 4.168 4.350 -0.001 0.000 0.198 80 E C 2.375 178.982 176.600 0.011 0.000 0.998 80 E CA 1.179 57.587 56.400 0.013 0.000 0.818 80 E CB -0.229 29.482 29.700 0.017 0.000 0.741 80 E HN 0.380 nan 8.360 nan 0.000 0.477 81 V N 1.160 121.080 119.914 0.010 0.000 2.427 81 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 81 V C 2.342 178.438 176.094 0.004 0.000 1.051 81 V CA 1.731 64.035 62.300 0.008 0.000 1.048 81 V CB -0.578 31.248 31.823 0.005 0.000 0.666 81 V HN 0.256 nan 8.190 nan 0.000 0.456 82 A N -0.590 122.231 122.820 0.002 0.000 1.935 82 A HA -0.104 4.216 4.320 -0.001 0.000 0.214 82 A C 2.307 179.892 177.584 0.002 0.000 1.178 82 A CA 1.416 53.453 52.037 0.000 0.000 0.640 82 A CB -0.342 18.657 19.000 -0.002 0.000 0.825 82 A HN 0.441 nan 8.150 nan 0.000 0.447 83 K N -0.083 120.320 120.400 0.005 0.000 2.097 83 K HA -0.134 4.186 4.320 -0.001 0.000 0.206 83 K C 1.759 178.362 176.600 0.005 0.000 1.049 83 K CA 1.787 58.077 56.287 0.005 0.000 0.933 83 K CB -0.160 32.344 32.500 0.007 0.000 0.717 83 K HN 0.601 nan 8.250 nan 0.000 0.442 84 T N -2.189 112.368 114.554 0.006 0.000 3.107 84 T HA 0.019 4.369 4.350 -0.001 0.000 0.249 84 T C 1.459 176.162 174.700 0.005 0.000 1.096 84 T CA 0.119 62.222 62.100 0.006 0.000 1.012 84 T CB 0.489 69.362 68.868 0.009 0.000 0.977 84 T HN 0.157 nan 8.240 nan 0.000 0.527 85 Q N 1.984 121.786 119.800 0.004 0.000 2.204 85 Q HA 0.018 4.358 4.340 -0.001 0.000 0.198 85 Q C 2.198 178.199 176.000 0.002 0.000 0.946 85 Q CA 1.484 57.288 55.803 0.002 0.000 0.859 85 Q CB -0.109 28.629 28.738 0.001 0.000 0.946 85 Q HN 0.830 nan 8.270 nan 0.000 0.474 86 E N -0.363 119.838 120.200 0.002 0.000 2.150 86 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 86 E C 1.750 178.350 176.600 0.001 0.000 0.985 86 E CA 1.167 57.568 56.400 0.001 0.000 0.814 86 E CB -0.156 29.545 29.700 0.001 0.000 0.752 86 E HN 0.061 nan 8.360 nan 0.000 0.466 87 K N 0.635 121.036 120.400 0.002 0.000 2.097 87 K HA -0.097 4.223 4.320 -0.001 0.000 0.205 87 K C 1.824 178.424 176.600 0.001 0.000 1.050 87 K CA 1.412 57.700 56.287 0.002 0.000 0.938 87 K CB 0.268 32.770 32.500 0.003 0.000 0.718 87 K HN 0.107 nan 8.250 nan 0.000 0.442 88 E N -1.173 119.028 120.200 0.002 0.000 2.389 88 E HA 0.068 4.418 4.350 -0.001 0.000 0.199 88 E C 1.400 178.001 176.600 0.001 0.000 0.978 88 E CA 0.501 56.902 56.400 0.002 0.000 0.912 88 E CB 0.852 30.554 29.700 0.003 0.000 0.907 88 E HN 0.107 nan 8.360 nan 0.000 0.494 89 V N -1.472 118.443 119.914 0.001 0.000 3.029 89 V HA 0.330 4.450 4.120 -0.001 0.000 0.230 89 V C 1.529 177.623 176.094 0.000 0.000 1.254 89 V CA 0.864 63.164 62.300 0.001 0.000 1.276 89 V CB 0.852 32.676 31.823 0.001 0.000 1.080 89 V HN 0.312 nan 8.190 nan 0.000 0.495 90 G N 0.499 109.299 108.800 0.000 0.000 2.339 90 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.209 90 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.209 90 G C -0.142 174.759 174.900 0.001 0.000 1.015 90 G CA 0.306 45.407 45.100 0.000 0.000 0.635 90 G HN 0.579 nan 8.290 nan 0.000 0.499 91 D N -0.920 119.480 120.400 0.001 0.000 2.547 91 D HA 0.599 5.239 4.640 -0.001 0.000 0.231 91 D C 0.885 177.185 176.300 0.000 0.000 1.099 91 D CA 0.796 54.797 54.000 0.002 0.000 0.901 91 D CB 1.110 41.912 40.800 0.003 0.000 1.478 91 D HN 1.439 nan 8.370 nan 0.000 0.471 92 G N 0.839 109.638 108.800 -0.001 0.000 2.130 92 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.216 92 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.216 92 G C 0.933 175.829 174.900 -0.007 0.000 0.999 92 G CA 0.989 46.087 45.100 -0.005 0.000 0.686 92 G HN 0.735 nan 8.290 nan 0.000 0.515 93 T N -3.204 111.347 114.554 -0.005 0.000 2.857 93 T HA -0.024 4.326 4.350 -0.001 0.000 0.266 93 T C 2.236 176.930 174.700 -0.010 0.000 1.048 93 T CA 2.400 64.497 62.100 -0.006 0.000 1.139 93 T CB -0.377 68.489 68.868 -0.003 0.000 0.874 93 T HN 0.267 nan 8.240 nan 0.000 0.455 94 T N 2.681 117.228 114.554 -0.011 0.000 2.812 94 T HA -0.078 4.271 4.350 -0.001 0.000 0.264 94 T C 2.459 177.146 174.700 -0.023 0.000 1.042 94 T CA 1.856 63.946 62.100 -0.016 0.000 1.140 94 T CB -0.890 67.969 68.868 -0.016 0.000 0.870 94 T HN 0.790 nan 8.240 nan 0.000 0.445 95 T N 1.229 115.770 114.554 -0.023 0.000 2.833 95 T HA 0.011 4.361 4.350 -0.001 0.000 0.269 95 T C 2.252 176.930 174.700 -0.035 0.000 1.054 95 T CA 1.059 63.141 62.100 -0.030 0.000 1.135 95 T CB -0.550 68.301 68.868 -0.027 0.000 0.869 95 T HN 0.340 nan 8.240 nan 0.000 0.466 96 A N 0.898 123.702 122.820 -0.027 0.000 1.930 96 A HA 0.160 4.480 4.320 -0.001 0.000 0.217 96 A C 2.585 180.151 177.584 -0.031 0.000 1.175 96 A CA 1.286 53.307 52.037 -0.026 0.000 0.627 96 A CB -0.833 18.158 19.000 -0.014 0.000 0.815 96 A HN 0.420 nan 8.150 nan 0.000 0.443 97 V N -0.587 119.311 119.914 -0.027 0.000 2.407 97 V HA -0.157 3.963 4.120 -0.001 0.000 0.245 97 V C 2.518 178.588 176.094 -0.039 0.000 1.041 97 V CA 1.680 63.963 62.300 -0.028 0.000 1.040 97 V CB -0.498 31.312 31.823 -0.022 0.000 0.671 97 V HN 0.341 nan 8.190 nan 0.000 0.455 98 V N -0.254 119.634 119.914 -0.043 0.000 2.490 98 V HA -0.197 3.923 4.120 -0.001 0.000 0.250 98 V C 2.375 178.427 176.094 -0.071 0.000 1.061 98 V CA 1.683 63.952 62.300 -0.052 0.000 1.064 98 V CB -0.257 31.537 31.823 -0.049 0.000 0.670 98 V HN 0.401 nan 8.190 nan 0.000 0.461 99 V N 0.116 119.980 119.914 -0.083 0.000 2.323 99 V HA -0.178 3.942 4.120 -0.001 0.000 0.244 99 V C 2.708 178.720 176.094 -0.137 0.000 1.041 99 V CA 1.790 64.014 62.300 -0.127 0.000 1.025 99 V CB -0.973 30.767 31.823 -0.137 0.000 0.656 99 V HN 0.543 nan 8.190 nan 0.000 0.451 100 A N 0.555 123.320 122.820 -0.092 0.000 1.948 100 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 100 A C 2.383 179.938 177.584 -0.048 0.000 1.177 100 A CA 2.175 54.175 52.037 -0.062 0.000 0.636 100 A CB -1.238 17.744 19.000 -0.029 0.000 0.815 100 A HN 0.547 nan 8.150 nan 0.000 0.449 101 G N -0.754 108.016 108.800 -0.051 0.000 2.421 101 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.216 101 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.216 101 G C 1.455 176.327 174.900 -0.047 0.000 1.171 101 G CA 1.224 46.297 45.100 -0.044 0.000 0.775 101 G HN 0.579 nan 8.290 nan 0.000 0.543 102 E N -0.025 120.133 120.200 -0.070 0.000 2.274 102 E HA 0.097 4.446 4.350 -0.001 0.000 0.194 102 E C 2.419 178.972 176.600 -0.078 0.000 0.996 102 E CA 0.221 56.577 56.400 -0.074 0.000 0.840 102 E CB -0.243 29.400 29.700 -0.096 0.000 0.772 102 E HN 0.452 nan 8.360 nan 0.000 0.491 103 L N -0.249 120.914 121.223 -0.101 0.000 2.156 103 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 103 L C 2.128 179.078 176.870 0.133 0.000 1.095 103 L CA 0.621 55.429 54.840 -0.054 0.000 0.770 103 L CB -0.201 41.770 42.059 -0.146 0.000 0.914 103 L HN 0.238 nan 8.230 nan 0.000 0.439 104 L N -0.711 120.550 121.223 0.063 0.000 2.072 104 L HA -0.154 4.186 4.340 -0.001 0.000 0.205 104 L C 2.800 179.689 176.870 0.032 0.000 1.079 104 L CA 0.937 55.810 54.840 0.055 0.000 0.752 104 L CB -0.413 41.656 42.059 0.016 0.000 0.906 104 L HN 0.224 nan 8.230 nan 0.000 0.436 105 R N 0.416 120.923 120.500 0.012 0.000 2.073 105 R HA -0.150 4.190 4.340 -0.001 0.000 0.234 105 R C 2.069 178.382 176.300 0.022 0.000 1.134 105 R CA 1.224 57.325 56.100 0.003 0.000 0.952 105 R CB 0.077 30.369 30.300 -0.013 0.000 0.850 105 R HN 0.120 nan 8.270 nan 0.000 0.433 106 K N -0.046 120.381 120.400 0.046 0.000 2.439 106 K HA 0.001 4.320 4.320 -0.001 0.000 0.197 106 K C 1.637 178.301 176.600 0.107 0.000 1.041 106 K CA 0.900 57.232 56.287 0.075 0.000 0.970 106 K CB 0.253 32.805 32.500 0.086 0.000 0.773 106 K HN 0.273 nan 8.250 nan 0.000 0.479 107 A N 1.724 124.604 122.820 0.100 0.000 1.935 107 A HA -0.131 4.188 4.320 -0.001 0.000 0.214 107 A C 1.998 179.574 177.584 -0.013 0.000 1.178 107 A CA 1.015 53.067 52.037 0.026 0.000 0.640 107 A CB -0.183 18.818 19.000 0.001 0.000 0.825 107 A HN 0.455 nan 8.150 nan 0.000 0.447 108 E N 0.281 120.479 120.200 -0.003 0.000 2.274 108 E HA -0.139 4.211 4.350 -0.001 0.000 0.194 108 E C 1.321 177.915 176.600 -0.009 0.000 0.996 108 E CA 1.029 57.420 56.400 -0.014 0.000 0.840 108 E CB -0.329 29.361 29.700 -0.016 0.000 0.772 108 E HN 0.698 nan 8.360 nan 0.000 0.491 109 E N 0.791 120.992 120.200 0.002 0.000 2.268 109 E HA -0.082 4.267 4.350 -0.001 0.000 0.195 109 E C 1.953 178.555 176.600 0.004 0.000 0.995 109 E CA 0.786 57.189 56.400 0.005 0.000 0.836 109 E CB 0.022 29.731 29.700 0.014 0.000 0.763 109 E HN 0.398 nan 8.360 nan 0.000 0.491 110 L N 0.034 121.258 121.223 0.001 0.000 2.249 110 L HA -0.011 4.329 4.340 -0.001 0.000 0.207 110 L C 2.175 179.034 176.870 -0.018 0.000 1.090 110 L CA 0.336 55.173 54.840 -0.005 0.000 0.802 110 L CB -0.068 41.984 42.059 -0.012 0.000 0.947 110 L HN 0.124 nan 8.230 nan 0.000 0.453 111 L N -0.333 120.873 121.223 -0.029 0.000 2.217 111 L HA -0.138 4.202 4.340 -0.001 0.000 0.211 111 L C 1.493 178.345 176.870 -0.029 0.000 1.107 111 L CA 0.883 55.700 54.840 -0.038 0.000 0.783 111 L CB -0.342 41.688 42.059 -0.048 0.000 0.919 111 L HN 0.202 nan 8.230 nan 0.000 0.442 112 D N -0.618 119.770 120.400 -0.020 0.000 2.347 112 D HA -0.095 4.544 4.640 -0.001 0.000 0.213 112 D C 1.568 177.861 176.300 -0.011 0.000 0.985 112 D CA 0.646 54.637 54.000 -0.016 0.000 0.879 112 D CB 0.167 40.959 40.800 -0.013 0.000 0.919 112 D HN 0.302 nan 8.370 nan 0.000 0.526 113 Q N 0.076 119.871 119.800 -0.008 0.000 2.222 113 Q HA 0.167 4.506 4.340 -0.001 0.000 0.206 113 Q C -0.142 175.856 176.000 -0.002 0.000 0.877 113 Q CA -0.136 55.666 55.803 -0.003 0.000 0.958 113 Q CB 0.402 29.141 28.738 0.002 0.000 1.075 113 Q HN 0.125 nan 8.270 nan 0.000 0.483 114 N N -0.789 117.906 118.700 -0.009 0.000 2.850 114 N HA -0.139 4.600 4.740 -0.001 0.000 0.249 114 N C -0.685 174.827 175.510 0.004 0.000 1.060 114 N CA 0.506 53.551 53.050 -0.008 0.000 0.825 114 N CB -1.480 37.007 38.487 -0.000 0.000 1.132 114 N HN 0.055 nan 8.380 nan 0.000 0.564 115 V N 2.473 122.389 119.914 0.004 0.000 2.446 115 V HA -0.009 4.111 4.120 -0.001 0.000 0.276 115 V C 1.266 177.379 176.094 0.032 0.000 1.030 115 V CA -0.167 62.147 62.300 0.022 0.000 1.033 115 V CB 0.597 32.426 31.823 0.009 0.000 0.993 115 V HN 0.229 nan 8.190 nan 0.000 0.477 116 H N 8.353 127.409 119.070 -0.025 0.000 3.064 116 H HA 0.008 4.563 4.556 -0.001 0.000 0.329 116 H C -1.594 173.710 175.328 -0.039 0.000 1.020 116 H CA -1.073 54.960 56.048 -0.026 0.000 1.402 116 H CB 1.517 31.267 29.762 -0.019 0.000 1.379 116 H HN 0.397 nan 8.280 nan 0.000 0.594 117 P HA -0.155 nan 4.420 nan 0.000 0.217 117 P C 1.443 178.803 177.300 0.100 0.000 1.148 117 P CA 2.292 65.400 63.100 0.012 0.000 0.828 117 P CB 0.078 31.747 31.700 -0.051 0.000 0.783 118 T N -3.621 111.109 114.554 0.294 0.000 2.951 118 T HA -0.068 4.282 4.350 -0.001 0.000 0.268 118 T C 1.691 176.416 174.700 0.042 0.000 1.073 118 T CA 0.812 62.987 62.100 0.126 0.000 1.134 118 T CB -0.836 68.064 68.868 0.054 0.000 0.884 118 T HN -0.091 nan 8.240 nan 0.000 0.479 119 I N 1.186 121.786 120.570 0.050 0.000 2.406 119 I HA 0.015 4.185 4.170 -0.001 0.000 0.249 119 I C 2.632 178.743 176.117 -0.010 0.000 1.122 119 I CA 0.368 61.675 61.300 0.012 0.000 1.431 119 I CB -1.197 36.816 38.000 0.021 0.000 1.087 119 I HN 0.182 nan 8.210 nan 0.000 0.424 120 V N 0.396 120.282 119.914 -0.048 0.000 2.270 120 V HA -0.197 3.922 4.120 -0.001 0.000 0.245 120 V C 2.595 178.555 176.094 -0.222 0.000 1.043 120 V CA 1.438 63.630 62.300 -0.180 0.000 1.014 120 V CB -0.515 31.152 31.823 -0.260 0.000 0.645 120 V HN 0.255 nan 8.190 nan 0.000 0.447 121 V N -0.213 119.626 119.914 -0.125 0.000 2.594 121 V HA -0.245 3.875 4.120 -0.001 0.000 0.253 121 V C 2.437 178.560 176.094 0.048 0.000 1.069 121 V CA 2.442 64.725 62.300 -0.029 0.000 1.082 121 V CB -0.362 31.464 31.823 0.006 0.000 0.680 121 V HN 0.591 nan 8.190 nan 0.000 0.469 122 K N -0.330 120.087 120.400 0.028 0.000 2.031 122 K HA -0.058 4.261 4.320 -0.001 0.000 0.205 122 K C 2.070 178.708 176.600 0.063 0.000 1.049 122 K CA 1.507 57.816 56.287 0.038 0.000 0.939 122 K CB -0.626 31.884 32.500 0.016 0.000 0.717 122 K HN 0.526 nan 8.250 nan 0.000 0.438 123 G N -0.472 108.376 108.800 0.080 0.000 2.422 123 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.218 123 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.218 123 G C 1.297 176.323 174.900 0.210 0.000 1.140 123 G CA 0.557 45.732 45.100 0.124 0.000 0.775 123 G HN 0.369 nan 8.290 nan 0.000 0.545 124 Y N -0.057 120.264 120.300 0.035 0.000 2.293 124 Y HA -0.106 4.443 4.550 -0.001 0.000 0.291 124 Y C 3.086 178.917 175.900 -0.116 0.000 1.137 124 Y CA 1.159 59.294 58.100 0.058 0.000 1.202 124 Y CB 0.217 38.795 38.460 0.198 0.000 0.990 124 Y HN 0.255 nan 8.280 nan 0.000 0.537 125 Q N -0.053 119.809 119.800 0.103 0.000 2.163 125 Q HA -0.098 4.242 4.340 -0.001 0.000 0.198 125 Q C 2.316 178.279 176.000 -0.061 0.000 0.954 125 Q CA 0.834 56.642 55.803 0.008 0.000 0.851 125 Q CB -0.015 28.750 28.738 0.044 0.000 0.928 125 Q HN 0.442 nan 8.270 nan 0.000 0.459 126 A N 0.574 123.381 122.820 -0.022 0.000 2.015 126 A HA -0.048 4.271 4.320 -0.001 0.000 0.219 126 A C 2.122 179.675 177.584 -0.052 0.000 1.163 126 A CA 1.494 53.535 52.037 0.006 0.000 0.646 126 A CB -0.515 18.529 19.000 0.075 0.000 0.806 126 A HN 0.490 nan 8.150 nan 0.000 0.448 127 A N -0.491 122.204 122.820 -0.209 0.000 1.935 127 A HA 0.375 4.695 4.320 -0.001 0.000 0.214 127 A C 2.370 179.541 177.584 -0.689 0.000 1.178 127 A CA 1.427 53.201 52.037 -0.438 0.000 0.640 127 A CB -0.704 17.913 19.000 -0.637 0.000 0.825 127 A HN 0.923 nan 8.150 nan 0.000 0.447 128 A N -0.909 121.467 122.820 -0.739 0.000 2.066 128 A HA -0.067 4.253 4.320 -0.001 0.000 0.218 128 A C 2.054 179.512 177.584 -0.209 0.000 1.157 128 A CA 1.515 53.289 52.037 -0.439 0.000 0.670 128 A CB -0.368 18.513 19.000 -0.197 0.000 0.804 128 A HN 0.596 nan 8.150 nan 0.000 0.453 129 Q N -0.396 119.291 119.800 -0.189 0.000 2.016 129 Q HA -0.197 4.142 4.340 -0.001 0.000 0.200 129 Q C 2.105 178.001 176.000 -0.174 0.000 0.978 129 Q CA 1.959 57.683 55.803 -0.132 0.000 0.833 129 Q CB -0.113 28.568 28.738 -0.096 0.000 0.895 129 Q HN 0.451 nan 8.270 nan 0.000 0.427 130 K N 0.131 120.368 120.400 -0.272 0.000 2.147 130 K HA -0.093 4.226 4.320 -0.001 0.000 0.205 130 K C 1.610 178.053 176.600 -0.263 0.000 1.049 130 K CA 1.381 57.435 56.287 -0.388 0.000 0.936 130 K CB -0.401 31.600 32.500 -0.831 0.000 0.722 130 K HN 0.277 nan 8.250 nan 0.000 0.446 131 A N 0.225 122.921 122.820 -0.205 0.000 1.969 131 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 131 A C 1.973 179.519 177.584 -0.063 0.000 1.169 131 A CA 1.188 53.166 52.037 -0.098 0.000 0.635 131 A CB -0.367 18.623 19.000 -0.018 0.000 0.810 131 A HN 0.322 nan 8.150 nan 0.000 0.445 132 Q N -0.014 119.743 119.800 -0.072 0.000 2.083 132 Q HA -0.164 4.176 4.340 -0.001 0.000 0.198 132 Q C 1.910 177.879 176.000 -0.051 0.000 0.969 132 Q CA 1.676 57.451 55.803 -0.047 0.000 0.838 132 Q CB -0.326 28.386 28.738 -0.043 0.000 0.900 132 Q HN 1.001 nan 8.270 nan 0.000 0.436 133 E N -0.124 120.031 120.200 -0.076 0.000 2.435 133 E HA -0.021 4.329 4.350 -0.001 0.000 0.195 133 E C 1.880 178.440 176.600 -0.066 0.000 1.029 133 E CA 0.128 56.488 56.400 -0.067 0.000 0.865 133 E CB -0.097 29.557 29.700 -0.077 0.000 0.833 133 E HN 0.234 nan 8.360 nan 0.000 0.510 134 L N 0.531 121.706 121.223 -0.079 0.000 2.270 134 L HA 0.021 4.360 4.340 -0.001 0.000 0.210 134 L C 2.367 179.219 176.870 -0.030 0.000 1.104 134 L CA 0.420 55.225 54.840 -0.059 0.000 0.804 134 L CB -0.054 41.962 42.059 -0.072 0.000 0.937 134 L HN 0.168 nan 8.230 nan 0.000 0.450 135 L N -0.524 120.684 121.223 -0.026 0.000 2.217 135 L HA -0.152 4.187 4.340 -0.001 0.000 0.211 135 L C 2.405 179.269 176.870 -0.009 0.000 1.107 135 L CA 0.995 55.829 54.840 -0.010 0.000 0.783 135 L CB -0.219 41.837 42.059 -0.005 0.000 0.919 135 L HN 0.189 nan 8.230 nan 0.000 0.442 136 K N -0.479 119.911 120.400 -0.016 0.000 2.097 136 K HA -0.128 4.191 4.320 -0.001 0.000 0.205 136 K C 2.117 178.711 176.600 -0.010 0.000 1.050 136 K CA 1.844 58.123 56.287 -0.013 0.000 0.938 136 K CB -0.185 32.305 32.500 -0.017 0.000 0.718 136 K HN 0.426 nan 8.250 nan 0.000 0.442 137 T N -0.156 114.391 114.554 -0.012 0.000 2.942 137 T HA -0.046 4.303 4.350 -0.001 0.000 0.265 137 T C 1.836 176.534 174.700 -0.004 0.000 1.062 137 T CA 0.774 62.869 62.100 -0.009 0.000 1.139 137 T CB -0.438 68.424 68.868 -0.011 0.000 0.883 137 T HN 0.373 nan 8.240 nan 0.000 0.468 138 I N -0.523 120.046 120.570 -0.001 0.000 3.793 138 I HA 0.588 4.758 4.170 -0.001 0.000 0.315 138 I C 0.852 176.972 176.117 0.005 0.000 1.275 138 I CA -0.878 60.425 61.300 0.005 0.000 1.214 138 I CB -0.356 37.653 38.000 0.015 0.000 1.018 138 I HN 0.143 nan 8.210 nan 0.000 0.439 139 A N 1.296 124.117 122.820 0.002 0.000 2.309 139 A HA 0.463 4.782 4.320 -0.001 0.000 0.290 139 A C 0.206 177.791 177.584 0.001 0.000 1.206 139 A CA -0.403 51.636 52.037 0.003 0.000 0.850 139 A CB -0.067 18.933 19.000 0.001 0.000 1.118 139 A HN 0.515 nan 8.150 nan 0.000 0.523 140 C N 2.582 121.883 119.300 0.002 0.000 2.662 140 C HA 0.260 4.720 4.460 -0.001 0.000 0.420 140 C C 0.650 175.640 174.990 0.001 0.000 1.314 140 C CA -0.531 58.488 59.018 0.001 0.000 1.963 140 C CB -0.452 27.288 27.740 0.001 0.000 2.686 140 C HN 0.748 nan 8.230 nan 0.000 0.609 141 E N 1.637 121.837 120.200 0.000 0.000 2.229 141 E HA 0.458 4.808 4.350 -0.001 0.000 0.283 141 E C -0.713 175.887 176.600 0.001 0.000 1.030 141 E CA -0.006 56.394 56.400 0.000 0.000 0.836 141 E CB 1.492 31.192 29.700 -0.001 0.000 1.068 141 E HN 0.439 nan 8.360 nan 0.000 0.401 142 V N 1.663 121.578 119.914 0.001 0.000 2.709 142 V HA 0.427 4.547 4.120 -0.001 0.000 0.308 142 V C 0.462 176.557 176.094 0.001 0.000 1.062 142 V CA -1.010 61.291 62.300 0.001 0.000 0.901 142 V CB 2.269 34.093 31.823 0.002 0.000 1.003 142 V HN 0.768 nan 8.190 nan 0.000 0.425 143 G N 2.274 111.075 108.800 0.002 0.000 2.442 143 G HA2 0.423 4.383 3.960 -0.001 0.000 0.249 143 G HA3 0.423 4.383 3.960 -0.001 0.000 0.249 143 G C 1.010 175.912 174.900 0.002 0.000 1.263 143 G CA 0.261 45.362 45.100 0.002 0.000 0.846 143 G HN 1.176 nan 8.290 nan 0.000 0.555 144 A N 1.459 124.280 122.820 0.002 0.000 2.178 144 A HA -0.025 4.295 4.320 -0.001 0.000 0.218 144 A C 1.770 179.355 177.584 0.002 0.000 1.157 144 A CA 1.341 53.379 52.037 0.002 0.000 0.689 144 A CB -0.016 18.986 19.000 0.002 0.000 0.787 144 A HN 0.635 nan 8.150 nan 0.000 0.465 145 Q N -0.584 119.218 119.800 0.003 0.000 2.135 145 Q HA 0.072 4.412 4.340 -0.001 0.000 0.231 145 Q C -0.787 175.215 176.000 0.003 0.000 0.817 145 Q CA -0.253 55.552 55.803 0.003 0.000 1.073 145 Q CB 0.525 29.266 28.738 0.005 0.000 1.176 145 Q HN 0.399 nan 8.270 nan 0.000 0.478 146 D N 1.131 121.533 120.400 0.002 0.000 2.508 146 D HA 0.013 4.653 4.640 -0.001 0.000 0.224 146 D C 0.625 176.926 176.300 0.002 0.000 1.171 146 D CA 0.260 54.261 54.000 0.002 0.000 1.006 146 D CB 0.535 41.337 40.800 0.002 0.000 1.073 146 D HN 0.168 nan 8.370 nan 0.000 0.513 147 K N 1.683 122.084 120.400 0.002 0.000 2.103 147 K HA -0.195 4.124 4.320 -0.001 0.000 0.207 147 K C 1.630 178.231 176.600 0.001 0.000 1.048 147 K CA 1.173 57.461 56.287 0.001 0.000 0.930 147 K CB 0.212 32.712 32.500 0.001 0.000 0.716 147 K HN 0.524 nan 8.250 nan 0.000 0.444 148 E N 0.834 121.035 120.200 0.001 0.000 2.150 148 E HA -0.129 4.221 4.350 -0.001 0.000 0.193 148 E C 1.891 178.491 176.600 0.001 0.000 0.985 148 E CA 0.960 57.360 56.400 0.001 0.000 0.814 148 E CB -0.310 29.390 29.700 0.000 0.000 0.752 148 E HN 0.285 nan 8.360 nan 0.000 0.466 149 I N 0.801 121.373 120.570 0.002 0.000 2.400 149 I HA -0.144 4.025 4.170 -0.001 0.000 0.248 149 I C 2.324 178.443 176.117 0.003 0.000 1.109 149 I CA 0.569 61.871 61.300 0.003 0.000 1.425 149 I CB -0.139 37.863 38.000 0.003 0.000 1.094 149 I HN 0.087 nan 8.210 nan 0.000 0.425 150 L N 0.356 121.580 121.223 0.002 0.000 2.079 150 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 150 L C 2.574 179.445 176.870 0.002 0.000 1.081 150 L CA 1.521 56.362 54.840 0.002 0.000 0.752 150 L CB -0.826 41.233 42.059 0.000 0.000 0.896 150 L HN 0.268 nan 8.230 nan 0.000 0.433 151 T N -0.816 113.739 114.554 0.001 0.000 2.821 151 T HA -0.152 4.197 4.350 -0.001 0.000 0.267 151 T C 1.890 176.591 174.700 0.002 0.000 1.046 151 T CA 1.025 63.125 62.100 0.001 0.000 1.139 151 T CB -0.028 68.840 68.868 -0.000 0.000 0.871 151 T HN 0.281 nan 8.240 nan 0.000 0.454 152 K N 0.567 120.970 120.400 0.004 0.000 2.097 152 K HA 0.065 4.385 4.320 -0.001 0.000 0.206 152 K C 2.109 178.715 176.600 0.010 0.000 1.049 152 K CA 0.997 57.288 56.287 0.007 0.000 0.933 152 K CB -0.233 32.271 32.500 0.007 0.000 0.717 152 K HN 0.317 nan 8.250 nan 0.000 0.442 153 I N 0.719 121.294 120.570 0.008 0.000 2.353 153 I HA -0.227 3.943 4.170 -0.001 0.000 0.248 153 I C 2.373 178.496 176.117 0.009 0.000 1.119 153 I CA 0.869 62.175 61.300 0.009 0.000 1.417 153 I CB -0.182 37.822 38.000 0.007 0.000 1.078 153 I HN 0.126 nan 8.210 nan 0.000 0.421 154 A N 0.006 122.830 122.820 0.007 0.000 1.969 154 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 154 A C 2.254 179.843 177.584 0.009 0.000 1.169 154 A CA 1.550 53.591 52.037 0.006 0.000 0.635 154 A CB -0.489 18.513 19.000 0.003 0.000 0.810 154 A HN 0.390 nan 8.150 nan 0.000 0.445 155 M N -0.749 118.857 119.600 0.009 0.000 2.288 155 M HA -0.040 4.440 4.480 -0.001 0.000 0.266 155 M C 1.801 178.114 176.300 0.022 0.000 1.072 155 M CA 1.856 57.163 55.300 0.011 0.000 1.132 155 M CB -0.166 32.437 32.600 0.005 0.000 1.386 155 M HN 0.298 nan 8.290 nan 0.000 0.432 156 T N -1.038 113.531 114.554 0.025 0.000 3.023 156 T HA -0.042 4.308 4.350 -0.001 0.000 0.266 156 T C 1.881 176.601 174.700 0.032 0.000 1.093 156 T CA 1.384 63.505 62.100 0.035 0.000 1.129 156 T CB -0.184 68.703 68.868 0.032 0.000 0.899 156 T HN 0.447 nan 8.240 nan 0.000 0.491 157 S N 0.684 116.398 115.700 0.023 0.000 2.377 157 S HA 0.065 4.535 4.470 -0.001 0.000 0.223 157 S C 1.995 176.608 174.600 0.022 0.000 1.030 157 S CA 0.434 58.646 58.200 0.019 0.000 0.970 157 S CB -0.317 62.891 63.200 0.012 0.000 0.830 157 S HN 0.460 nan 8.310 nan 0.000 0.473 158 I N 1.370 121.953 120.570 0.022 0.000 2.252 158 I HA -0.084 4.086 4.170 -0.001 0.000 0.245 158 I C 0.902 177.040 176.117 0.035 0.000 1.102 158 I CA 0.610 61.924 61.300 0.023 0.000 1.385 158 I CB -0.896 37.114 38.000 0.017 0.000 1.064 158 I HN 0.227 nan 8.210 nan 0.000 0.414 159 T N 0.758 115.340 114.554 0.047 0.000 2.926 159 T HA 0.333 4.683 4.350 -0.001 0.000 0.307 159 T C 1.083 175.823 174.700 0.067 0.000 1.059 159 T CA 0.625 62.772 62.100 0.079 0.000 1.122 159 T CB 1.266 70.204 68.868 0.118 0.000 0.972 159 T HN 0.640 nan 8.240 nan 0.000 0.545 160 G N 1.863 110.705 108.800 0.070 0.000 2.308 160 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.221 160 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.221 160 G C 0.909 175.824 174.900 0.027 0.000 1.032 160 G CA 0.160 45.282 45.100 0.036 0.000 0.623 160 G HN 0.622 nan 8.290 nan 0.000 0.506 161 K N 1.156 121.574 120.400 0.031 0.000 2.426 161 K HA 0.446 4.765 4.320 -0.001 0.000 0.193 161 K C 0.950 177.571 176.600 0.035 0.000 1.028 161 K CA 0.736 57.038 56.287 0.026 0.000 1.047 161 K CB 0.434 32.947 32.500 0.023 0.000 0.821 161 K HN 1.392 nan 8.250 nan 0.000 0.513 162 G N -0.223 108.608 108.800 0.053 0.000 2.435 162 G HA2 0.072 4.032 3.960 -0.001 0.000 0.603 162 G HA3 0.072 4.032 3.960 -0.001 0.000 0.603 162 G C 0.160 175.114 174.900 0.089 0.000 1.496 162 G CA -0.484 44.658 45.100 0.071 0.000 0.896 162 G HN -0.019 nan 8.290 nan 0.000 0.657 163 A N 0.800 123.702 122.820 0.138 0.000 2.019 163 A HA 0.050 4.370 4.320 -0.001 0.000 0.219 163 A C 2.134 179.733 177.584 0.025 0.000 1.164 163 A CA 2.203 54.299 52.037 0.097 0.000 0.644 163 A CB -0.249 18.819 19.000 0.113 0.000 0.805 163 A HN 1.198 nan 8.150 nan 0.000 0.449 164 E N 0.659 120.879 120.200 0.033 0.000 2.274 164 E HA -0.153 4.196 4.350 -0.001 0.000 0.194 164 E C 1.437 178.043 176.600 0.011 0.000 0.996 164 E CA 1.278 57.686 56.400 0.014 0.000 0.840 164 E CB -0.305 29.406 29.700 0.019 0.000 0.772 164 E HN 0.618 nan 8.360 nan 0.000 0.491 165 K N 0.774 121.185 120.400 0.018 0.000 2.228 165 K HA 0.147 4.467 4.320 -0.001 0.000 0.202 165 K C 1.094 177.700 176.600 0.010 0.000 1.051 165 K CA 0.733 57.029 56.287 0.015 0.000 0.960 165 K CB 0.158 32.670 32.500 0.021 0.000 0.743 165 K HN 0.108 nan 8.250 nan 0.000 0.458 166 A N 2.525 125.350 122.820 0.009 0.000 3.026 166 A HA 0.040 4.360 4.320 -0.001 0.000 0.272 166 A C -0.299 177.278 177.584 -0.012 0.000 1.782 166 A CA 0.070 52.108 52.037 0.001 0.000 1.451 166 A CB -0.559 18.444 19.000 0.005 0.000 1.081 166 A HN 0.084 nan 8.150 nan 0.000 0.611 167 K N 0.651 121.046 120.400 -0.008 0.000 2.174 167 K HA 0.168 4.488 4.320 -0.001 0.000 0.275 167 K C 0.900 177.493 176.600 -0.011 0.000 1.015 167 K CA -0.540 55.740 56.287 -0.012 0.000 0.933 167 K CB 0.598 33.093 32.500 -0.008 0.000 1.025 167 K HN 0.575 nan 8.250 nan 0.000 0.463 168 E N 2.627 122.818 120.200 -0.015 0.000 2.070 168 E HA -0.244 4.106 4.350 -0.001 0.000 0.197 168 E C 0.902 177.498 176.600 -0.008 0.000 1.004 168 E CA 1.802 58.195 56.400 -0.013 0.000 0.805 168 E CB 0.189 29.880 29.700 -0.015 0.000 0.744 168 E HN 0.518 nan 8.360 nan 0.000 0.451 169 K N 0.245 120.642 120.400 -0.006 0.000 2.362 169 K HA -0.127 4.193 4.320 -0.001 0.000 0.200 169 K C 2.098 178.697 176.600 -0.001 0.000 1.046 169 K CA 0.328 56.613 56.287 -0.003 0.000 0.952 169 K CB -0.028 32.471 32.500 -0.002 0.000 0.753 169 K HN 0.039 nan 8.250 nan 0.000 0.466 170 L N 0.470 121.692 121.223 -0.002 0.000 2.162 170 L HA 0.033 4.373 4.340 -0.001 0.000 0.205 170 L C 2.147 179.017 176.870 -0.001 0.000 1.086 170 L CA 1.271 56.111 54.840 0.000 0.000 0.778 170 L CB -0.366 41.693 42.059 0.001 0.000 0.928 170 L HN 0.039 nan 8.230 nan 0.000 0.446 171 A N -0.526 122.294 122.820 -0.001 0.000 1.902 171 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 171 A C 2.138 179.721 177.584 -0.002 0.000 1.181 171 A CA 1.852 53.889 52.037 -0.001 0.000 0.623 171 A CB -0.611 18.389 19.000 -0.001 0.000 0.818 171 A HN 0.601 nan 8.150 nan 0.000 0.443 172 E N -0.381 119.817 120.200 -0.002 0.000 2.110 172 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 172 E C 1.832 178.431 176.600 -0.002 0.000 0.988 172 E CA 1.121 57.520 56.400 -0.002 0.000 0.804 172 E CB -0.278 29.421 29.700 -0.002 0.000 0.745 172 E HN 0.700 nan 8.360 nan 0.000 0.458 173 I N 0.839 121.408 120.570 -0.002 0.000 2.226 173 I HA -0.271 3.899 4.170 -0.001 0.000 0.245 173 I C 2.255 178.369 176.117 -0.005 0.000 1.100 173 I CA 1.057 62.355 61.300 -0.002 0.000 1.374 173 I CB -0.115 37.885 38.000 -0.000 0.000 1.057 173 I HN 0.112 nan 8.210 nan 0.000 0.413 174 I N -0.316 120.251 120.570 -0.004 0.000 2.233 174 I HA -0.223 3.947 4.170 -0.001 0.000 0.243 174 I C 2.452 178.565 176.117 -0.007 0.000 1.093 174 I CA 0.986 62.282 61.300 -0.006 0.000 1.380 174 I CB -0.267 37.731 38.000 -0.004 0.000 1.067 174 I HN -0.019 nan 8.210 nan 0.000 0.413 175 V N 0.684 120.595 119.914 -0.005 0.000 2.392 175 V HA -0.301 3.818 4.120 -0.001 0.000 0.249 175 V C 2.412 178.501 176.094 -0.008 0.000 1.059 175 V CA 2.044 64.340 62.300 -0.006 0.000 1.051 175 V CB -0.632 31.189 31.823 -0.003 0.000 0.658 175 V HN 0.479 nan 8.190 nan 0.000 0.455 176 E N -0.187 120.008 120.200 -0.008 0.000 2.208 176 E HA -0.112 4.237 4.350 -0.001 0.000 0.193 176 E C 2.194 178.783 176.600 -0.018 0.000 0.988 176 E CA 0.962 57.355 56.400 -0.011 0.000 0.828 176 E CB -0.092 29.603 29.700 -0.008 0.000 0.763 176 E HN 0.597 nan 8.360 nan 0.000 0.478 177 A N 0.154 122.964 122.820 -0.018 0.000 1.930 177 A HA -0.045 4.274 4.320 -0.001 0.000 0.215 177 A C 2.255 179.823 177.584 -0.027 0.000 1.176 177 A CA 0.774 52.796 52.037 -0.024 0.000 0.632 177 A CB -0.227 18.760 19.000 -0.021 0.000 0.819 177 A HN 0.186 nan 8.150 nan 0.000 0.445 178 V N -0.222 119.679 119.914 -0.021 0.000 2.548 178 V HA -0.151 3.969 4.120 -0.001 0.000 0.249 178 V C 2.624 178.705 176.094 -0.022 0.000 1.055 178 V CA 2.086 64.374 62.300 -0.020 0.000 1.065 178 V CB -0.598 31.217 31.823 -0.014 0.000 0.681 178 V HN 0.506 nan 8.190 nan 0.000 0.462 179 S N 0.210 115.898 115.700 -0.020 0.000 2.423 179 S HA -0.080 4.390 4.470 -0.001 0.000 0.231 179 S C 2.156 176.737 174.600 -0.032 0.000 1.014 179 S CA 1.271 59.459 58.200 -0.020 0.000 0.965 179 S CB -0.256 62.936 63.200 -0.014 0.000 0.785 179 S HN 0.650 nan 8.310 nan 0.000 0.495 180 A N 0.997 123.789 122.820 -0.046 0.000 1.930 180 A HA 0.035 4.355 4.320 -0.001 0.000 0.215 180 A C 2.049 179.580 177.584 -0.089 0.000 1.176 180 A CA 1.257 53.246 52.037 -0.079 0.000 0.632 180 A CB -0.510 18.441 19.000 -0.081 0.000 0.819 180 A HN 0.546 nan 8.150 nan 0.000 0.445 181 V N -1.938 117.940 119.914 -0.061 0.000 3.620 181 V HA 0.237 4.356 4.120 -0.001 0.000 0.286 181 V C 0.360 176.431 176.094 -0.038 0.000 1.288 181 V CA -0.288 61.980 62.300 -0.054 0.000 1.178 181 V CB -0.926 30.870 31.823 -0.044 0.000 0.986 181 V HN 0.071 nan 8.190 nan 0.000 0.431 182 V N 4.223 124.118 119.914 -0.033 0.000 2.446 182 V HA 0.156 4.276 4.120 -0.001 0.000 0.276 182 V C 0.294 176.383 176.094 -0.009 0.000 1.030 182 V CA -0.161 62.129 62.300 -0.017 0.000 1.033 182 V CB 0.371 32.187 31.823 -0.010 0.000 0.993 182 V HN 0.760 nan 8.190 nan 0.000 0.477 183 D N 4.036 124.433 120.400 -0.005 0.000 2.365 183 D HA 0.089 4.729 4.640 -0.001 0.000 0.237 183 D C -0.385 175.920 176.300 0.009 0.000 1.190 183 D CA -0.585 53.417 54.000 0.003 0.000 0.867 183 D CB 0.951 41.751 40.800 0.001 0.000 1.050 183 D HN 0.372 nan 8.370 nan 0.000 0.491 184 D N 2.749 123.160 120.400 0.017 0.000 2.383 184 D HA 0.107 4.746 4.640 -0.001 0.000 0.252 184 D C 0.289 176.597 176.300 0.014 0.000 1.166 184 D CA 0.250 54.261 54.000 0.018 0.000 0.879 184 D CB 1.078 41.895 40.800 0.029 0.000 1.164 184 D HN 0.451 nan 8.370 nan 0.000 0.462 185 E N 0.517 120.723 120.200 0.010 0.000 2.183 185 E HA 0.613 4.963 4.350 -0.001 0.000 0.271 185 E C 0.331 176.934 176.600 0.005 0.000 0.919 185 E CA -1.037 55.368 56.400 0.008 0.000 0.781 185 E CB 2.151 31.855 29.700 0.007 0.000 1.140 185 E HN 0.523 nan 8.360 nan 0.000 0.402 186 G N 2.512 111.314 108.800 0.004 0.000 5.542 186 G HA2 0.015 3.974 3.960 -0.001 0.000 0.207 186 G HA3 0.015 3.974 3.960 -0.001 0.000 0.207 186 G C -0.050 174.851 174.900 0.001 0.000 0.764 186 G CA -0.402 44.701 45.100 0.004 0.000 0.692 186 G HN 0.073 nan 8.290 nan 0.000 0.330 187 K N 0.241 120.641 120.400 -0.000 0.000 2.090 187 K HA 0.668 4.988 4.320 -0.001 0.000 0.249 187 K C -0.405 176.192 176.600 -0.005 0.000 0.995 187 K CA -0.624 55.662 56.287 -0.002 0.000 0.914 187 K CB 2.455 34.953 32.500 -0.002 0.000 1.057 187 K HN -0.034 nan 8.250 nan 0.000 0.462 188 V N 1.635 121.545 119.914 -0.006 0.000 2.384 188 V HA 0.075 4.194 4.120 -0.001 0.000 0.287 188 V C -0.516 175.572 176.094 -0.010 0.000 1.020 188 V CA -0.871 61.424 62.300 -0.010 0.000 0.850 188 V CB 1.479 33.296 31.823 -0.010 0.000 0.987 188 V HN 0.608 nan 8.190 nan 0.000 0.436 189 D N 3.602 123.994 120.400 -0.013 0.000 2.313 189 D HA 0.306 4.946 4.640 -0.001 0.000 0.239 189 D C 0.864 177.155 176.300 -0.016 0.000 1.142 189 D CA -0.385 53.606 54.000 -0.014 0.000 0.847 189 D CB 1.700 42.491 40.800 -0.015 0.000 1.082 189 D HN 0.345 nan 8.370 nan 0.000 0.480 190 K N 1.625 122.017 120.400 -0.014 0.000 2.283 190 K HA -0.042 4.278 4.320 -0.001 0.000 0.202 190 K C 0.796 177.385 176.600 -0.018 0.000 1.048 190 K CA 0.836 57.114 56.287 -0.015 0.000 0.948 190 K CB 0.238 32.732 32.500 -0.011 0.000 0.742 190 K HN 0.387 nan 8.250 nan 0.000 0.458 191 D N 0.001 120.390 120.400 -0.019 0.000 2.363 191 D HA -0.020 4.620 4.640 -0.001 0.000 0.220 191 D C 1.292 177.575 176.300 -0.028 0.000 0.994 191 D CA 0.562 54.549 54.000 -0.022 0.000 0.890 191 D CB 0.164 40.952 40.800 -0.019 0.000 0.906 191 D HN 0.160 nan 8.370 nan 0.000 0.530 192 L N 0.054 121.260 121.223 -0.028 0.000 2.341 192 L HA 0.134 4.474 4.340 -0.001 0.000 0.214 192 L C 0.756 177.602 176.870 -0.039 0.000 1.115 192 L CA 0.319 55.139 54.840 -0.035 0.000 0.820 192 L CB 0.299 42.338 42.059 -0.033 0.000 0.944 192 L HN -0.124 nan 8.230 nan 0.000 0.452 193 I N 1.082 121.631 120.570 -0.035 0.000 2.282 193 I HA 0.062 4.231 4.170 -0.001 0.000 0.290 193 I C 0.411 176.505 176.117 -0.037 0.000 1.090 193 I CA -0.088 61.190 61.300 -0.036 0.000 1.231 193 I CB 0.597 38.579 38.000 -0.029 0.000 1.434 193 I HN -0.007 nan 8.210 nan 0.000 0.487 194 K N 7.273 127.645 120.400 -0.046 0.000 2.349 194 K HA 0.377 4.697 4.320 -0.001 0.000 0.288 194 K C -0.629 175.942 176.600 -0.049 0.000 1.058 194 K CA -0.230 56.026 56.287 -0.051 0.000 0.953 194 K CB 0.614 33.074 32.500 -0.066 0.000 0.997 194 K HN 0.541 nan 8.250 nan 0.000 0.477 195 I N 4.067 124.612 120.570 -0.041 0.000 2.312 195 I HA 0.138 4.308 4.170 -0.001 0.000 0.290 195 I C -0.361 175.731 176.117 -0.041 0.000 1.008 195 I CA -0.571 60.707 61.300 -0.036 0.000 1.226 195 I CB 1.546 39.531 38.000 -0.026 0.000 1.371 195 I HN 0.621 nan 8.210 nan 0.000 0.468 196 E N 6.503 126.676 120.200 -0.046 0.000 2.183 196 E HA 0.410 4.760 4.350 -0.001 0.000 0.271 196 E C -1.191 175.389 176.600 -0.034 0.000 0.919 196 E CA -0.691 55.679 56.400 -0.050 0.000 0.781 196 E CB 1.287 30.940 29.700 -0.078 0.000 1.140 196 E HN 0.279 nan 8.360 nan 0.000 0.402 197 K N 3.983 124.365 120.400 -0.029 0.000 2.464 197 K HA 0.406 4.725 4.320 -0.001 0.000 0.252 197 K C -0.737 175.854 176.600 -0.015 0.000 1.000 197 K CA -0.882 55.393 56.287 -0.021 0.000 0.951 197 K CB 1.085 33.570 32.500 -0.024 0.000 1.183 197 K HN 0.195 nan 8.250 nan 0.000 0.445 198 K N 1.052 121.451 120.400 -0.003 0.000 2.328 198 K HA 0.308 4.627 4.320 -0.001 0.000 0.246 198 K C 0.571 177.178 176.600 0.012 0.000 0.955 198 K CA -0.502 55.791 56.287 0.009 0.000 0.817 198 K CB 1.963 34.481 32.500 0.029 0.000 1.208 198 K HN 0.636 nan 8.250 nan 0.000 0.432 199 S N 0.148 115.855 115.700 0.012 0.000 2.136 199 S HA 0.531 5.001 4.470 -0.001 0.000 0.205 199 S C 0.713 175.323 174.600 0.018 0.000 1.346 199 S CA 0.502 58.708 58.200 0.010 0.000 1.084 199 S CB -0.429 62.776 63.200 0.007 0.000 0.767 199 S HN 1.038 nan 8.310 nan 0.000 0.423 200 G N -0.744 108.066 108.800 0.016 0.000 2.663 200 G HA2 0.429 4.389 3.960 -0.001 0.000 0.686 200 G HA3 0.429 4.389 3.960 -0.001 0.000 0.686 200 G C -0.277 174.631 174.900 0.014 0.000 1.288 200 G CA -0.311 44.799 45.100 0.017 0.000 0.836 200 G HN 1.738 nan 8.290 nan 0.000 0.584 201 A N 0.429 123.256 122.820 0.012 0.000 2.798 201 A HA 0.828 5.148 4.320 -0.001 0.000 0.316 201 A C 0.801 178.391 177.584 0.011 0.000 1.506 201 A CA 1.244 53.288 52.037 0.011 0.000 1.162 201 A CB 0.358 19.363 19.000 0.009 0.000 1.138 201 A HN 2.093 nan 8.150 nan 0.000 0.532 202 S N 1.433 117.140 115.700 0.012 0.000 4.107 202 S HA 0.533 5.003 4.470 -0.001 0.000 0.196 202 S C 1.172 175.778 174.600 0.011 0.000 1.125 202 S CA 0.558 58.765 58.200 0.012 0.000 1.614 202 S CB -0.321 62.888 63.200 0.015 0.000 1.234 202 S HN 1.021 nan 8.310 nan 0.000 0.799 203 I N 1.030 121.607 120.570 0.012 0.000 3.969 203 I HA -0.342 3.828 4.170 -0.001 0.000 0.133 203 I C 0.078 176.200 176.117 0.009 0.000 0.412 203 I CA 1.910 63.216 61.300 0.011 0.000 1.227 203 I CB -0.772 37.234 38.000 0.011 0.000 1.082 203 I HN 0.496 nan 8.210 nan 0.000 0.204 204 D N 0.144 120.549 120.400 0.009 0.000 2.389 204 D HA 0.042 4.682 4.640 -0.001 0.000 0.206 204 D C 0.920 177.226 176.300 0.009 0.000 1.055 204 D CA 0.503 54.507 54.000 0.007 0.000 0.856 204 D CB 0.006 40.809 40.800 0.005 0.000 0.957 204 D HN 0.402 nan 8.370 nan 0.000 0.509 205 D N 0.330 120.737 120.400 0.013 0.000 2.325 205 D HA -0.002 4.637 4.640 -0.001 0.000 0.225 205 D C 0.234 176.548 176.300 0.022 0.000 1.096 205 D CA 0.226 54.236 54.000 0.017 0.000 0.844 205 D CB -0.023 40.788 40.800 0.019 0.000 0.925 205 D HN 0.091 nan 8.370 nan 0.000 0.513 206 T N -0.299 114.265 114.554 0.018 0.000 2.799 206 T HA 0.329 4.679 4.350 -0.001 0.000 0.296 206 T C 0.209 174.920 174.700 0.018 0.000 0.947 206 T CA -0.665 61.446 62.100 0.017 0.000 1.141 206 T CB 0.922 69.796 68.868 0.011 0.000 0.891 206 T HN 0.182 nan 8.240 nan 0.000 0.533 207 E N 2.511 122.726 120.200 0.024 0.000 2.299 207 E HA 0.589 4.938 4.350 -0.001 0.000 0.265 207 E C -1.129 175.483 176.600 0.019 0.000 0.911 207 E CA -1.428 54.988 56.400 0.026 0.000 0.789 207 E CB 1.433 31.158 29.700 0.041 0.000 1.246 207 E HN 0.467 nan 8.360 nan 0.000 0.427 208 L N 2.471 123.702 121.223 0.014 0.000 2.278 208 L HA 0.397 4.737 4.340 -0.001 0.000 0.287 208 L C -1.129 175.749 176.870 0.013 0.000 1.072 208 L CA -0.159 54.684 54.840 0.006 0.000 0.819 208 L CB 0.397 42.457 42.059 0.001 0.000 1.176 208 L HN 0.583 nan 8.230 nan 0.000 0.435 209 I N 5.632 126.205 120.570 0.006 0.000 2.312 209 I HA 0.244 4.413 4.170 -0.001 0.000 0.290 209 I C 0.324 176.438 176.117 -0.006 0.000 1.008 209 I CA -0.447 60.861 61.300 0.013 0.000 1.226 209 I CB 0.831 38.833 38.000 0.003 0.000 1.371 209 I HN 0.535 nan 8.210 nan 0.000 0.468 210 K N 5.938 126.341 120.400 0.004 0.000 2.278 210 K HA 0.421 4.740 4.320 -0.001 0.000 0.237 210 K C 0.319 176.914 176.600 -0.008 0.000 1.229 210 K CA -0.262 56.020 56.287 -0.009 0.000 1.155 210 K CB 0.266 32.765 32.500 -0.002 0.000 1.590 210 K HN 0.914 nan 8.250 nan 0.000 0.290 211 G N -0.506 108.278 108.800 -0.026 0.000 2.435 211 G HA2 0.267 4.226 3.960 -0.001 0.000 0.228 211 G HA3 0.267 4.226 3.960 -0.001 0.000 0.228 211 G C -1.577 173.280 174.900 -0.072 0.000 1.198 211 G CA -0.595 44.484 45.100 -0.035 0.000 0.948 211 G HN 0.086 nan 8.290 nan 0.000 0.487 212 V N 0.024 119.880 119.914 -0.098 0.000 2.962 212 V HA 0.734 4.854 4.120 -0.001 0.000 0.313 212 V C -1.112 174.871 176.094 -0.185 0.000 1.099 212 V CA -0.701 61.513 62.300 -0.143 0.000 0.971 212 V CB 1.993 33.713 31.823 -0.173 0.000 1.028 212 V HN 0.721 nan 8.190 nan 0.000 0.430 213 L N 3.347 124.437 121.223 -0.222 0.000 2.294 213 L HA 0.621 4.961 4.340 -0.001 0.000 0.283 213 L C -0.578 176.170 176.870 -0.202 0.000 1.015 213 L CA -0.020 54.636 54.840 -0.306 0.000 0.831 213 L CB 1.574 43.391 42.059 -0.402 0.000 1.217 213 L HN 0.488 nan 8.230 nan 0.000 0.420 214 V N 3.658 123.487 119.914 -0.142 0.000 2.383 214 V HA 0.198 4.318 4.120 -0.001 0.000 0.275 214 V C 0.258 176.345 176.094 -0.012 0.000 1.036 214 V CA -0.617 61.642 62.300 -0.069 0.000 0.889 214 V CB 1.337 33.147 31.823 -0.021 0.000 0.985 214 V HN 0.611 nan 8.190 nan 0.000 0.459 215 D N 4.506 124.896 120.400 -0.017 0.000 2.941 215 D HA 0.106 4.745 4.640 -0.001 0.000 0.236 215 D C 0.266 176.589 176.300 0.038 0.000 1.147 215 D CA 0.600 54.604 54.000 0.006 0.000 0.975 215 D CB -0.148 40.648 40.800 -0.007 0.000 1.162 215 D HN 0.424 nan 8.370 nan 0.000 0.444 216 K N 0.264 120.707 120.400 0.071 0.000 2.466 216 K HA 0.406 4.725 4.320 -0.001 0.000 0.260 216 K C -0.371 176.281 176.600 0.086 0.000 1.011 216 K CA -0.666 55.670 56.287 0.083 0.000 0.871 216 K CB 2.094 34.663 32.500 0.116 0.000 1.404 216 K HN 0.083 nan 8.250 nan 0.000 0.450 217 E N 0.948 121.185 120.200 0.062 0.000 2.303 217 E HA 0.296 4.646 4.350 -0.001 0.000 0.254 217 E C -0.600 176.014 176.600 0.023 0.000 0.979 217 E CA -1.071 55.358 56.400 0.049 0.000 0.843 217 E CB 1.283 31.005 29.700 0.036 0.000 1.245 217 E HN 0.404 nan 8.360 nan 0.000 0.413 218 R N 0.809 121.312 120.500 0.005 0.000 2.489 218 R HA 0.050 4.390 4.340 -0.001 0.000 0.287 218 R C 0.682 176.970 176.300 -0.020 0.000 1.053 218 R CA -0.132 55.952 56.100 -0.028 0.000 1.036 218 R CB 0.568 30.850 30.300 -0.029 0.000 0.966 218 R HN 0.435 nan 8.270 nan 0.000 0.432 219 V N 2.137 122.033 119.914 -0.031 0.000 2.490 219 V HA -0.124 3.995 4.120 -0.001 0.000 0.250 219 V C 0.684 176.770 176.094 -0.012 0.000 1.061 219 V CA 2.198 64.488 62.300 -0.017 0.000 1.064 219 V CB 0.032 31.843 31.823 -0.019 0.000 0.670 219 V HN 0.894 nan 8.190 nan 0.000 0.461 220 S N -1.781 113.908 115.700 -0.018 0.000 2.500 220 S HA 0.668 5.138 4.470 -0.001 0.000 0.301 220 S C 0.770 175.362 174.600 -0.013 0.000 1.092 220 S CA -0.167 58.026 58.200 -0.012 0.000 1.030 220 S CB 1.770 64.963 63.200 -0.012 0.000 1.031 220 S HN 0.553 nan 8.310 nan 0.000 0.483 221 A N 3.259 126.075 122.820 -0.007 0.000 2.121 221 A HA -0.023 4.297 4.320 -0.001 0.000 0.218 221 A C 1.842 179.421 177.584 -0.008 0.000 1.154 221 A CA 1.186 53.219 52.037 -0.006 0.000 0.679 221 A CB -0.502 18.497 19.000 -0.002 0.000 0.795 221 A HN 0.886 nan 8.150 nan 0.000 0.458 222 Q N -0.968 118.826 119.800 -0.010 0.000 2.435 222 Q HA 0.093 4.433 4.340 -0.001 0.000 0.207 222 Q C 0.264 176.250 176.000 -0.023 0.000 0.956 222 Q CA 0.046 55.841 55.803 -0.013 0.000 0.917 222 Q CB -0.094 28.637 28.738 -0.011 0.000 0.997 222 Q HN 0.699 nan 8.270 nan 0.000 0.497 223 M N 1.569 121.154 119.600 -0.026 0.000 2.255 223 M HA 0.237 4.717 4.480 -0.001 0.000 0.336 223 M C -2.073 174.211 176.300 -0.026 0.000 1.135 223 M CA -1.951 53.330 55.300 -0.032 0.000 1.145 223 M CB 0.579 33.154 32.600 -0.041 0.000 1.473 223 M HN -0.106 nan 8.290 nan 0.000 0.462 224 P HA 0.018 nan 4.420 nan 0.000 0.270 224 P C -0.475 176.815 177.300 -0.016 0.000 1.227 224 P CA 0.003 63.092 63.100 -0.019 0.000 0.788 224 P CB 0.504 32.193 31.700 -0.018 0.000 0.926 225 K N 0.412 120.806 120.400 -0.010 0.000 2.438 225 K HA 0.173 4.493 4.320 -0.001 0.000 0.206 225 K C -0.133 176.467 176.600 0.001 0.000 1.081 225 K CA 0.058 56.343 56.287 -0.004 0.000 1.053 225 K CB 0.452 32.949 32.500 -0.006 0.000 0.908 225 K HN 0.230 nan 8.250 nan 0.000 0.556 226 K N 1.206 121.605 120.400 -0.001 0.000 2.616 226 K HA 0.230 4.550 4.320 -0.001 0.000 0.255 226 K C -1.903 174.700 176.600 0.006 0.000 0.995 226 K CA -0.600 55.690 56.287 0.003 0.000 0.860 226 K CB 2.064 34.560 32.500 -0.006 0.000 1.264 226 K HN -0.113 nan 8.250 nan 0.000 0.451 227 V N 2.856 122.780 119.914 0.016 0.000 2.487 227 V HA 0.452 4.571 4.120 -0.001 0.000 0.298 227 V C -0.090 176.018 176.094 0.023 0.000 1.028 227 V CA -0.788 61.521 62.300 0.016 0.000 0.860 227 V CB 1.663 33.496 31.823 0.017 0.000 0.991 227 V HN 0.897 nan 8.190 nan 0.000 0.427 228 T N 0.045 114.610 114.554 0.018 0.000 2.902 228 T HA 0.451 4.800 4.350 -0.001 0.000 0.283 228 T C -0.132 174.581 174.700 0.022 0.000 1.009 228 T CA -0.545 61.567 62.100 0.021 0.000 1.051 228 T CB 1.189 70.065 68.868 0.014 0.000 0.999 228 T HN 0.710 nan 8.240 nan 0.000 0.474 229 D N 0.400 120.816 120.400 0.026 0.000 2.704 229 D HA -0.148 4.492 4.640 -0.001 0.000 0.232 229 D C 0.332 176.649 176.300 0.029 0.000 1.183 229 D CA 0.950 54.966 54.000 0.027 0.000 0.647 229 D CB -1.207 39.605 40.800 0.020 0.000 1.013 229 D HN 1.037 nan 8.370 nan 0.000 0.415 230 A N 0.772 123.614 122.820 0.037 0.000 2.354 230 A HA 0.430 4.750 4.320 -0.001 0.000 0.269 230 A C 0.470 178.080 177.584 0.044 0.000 1.109 230 A CA -0.327 51.733 52.037 0.038 0.000 0.800 230 A CB 0.789 19.817 19.000 0.047 0.000 1.045 230 A HN 0.076 nan 8.150 nan 0.000 0.489 231 K N 1.881 122.304 120.400 0.037 0.000 2.263 231 K HA 0.542 4.862 4.320 -0.001 0.000 0.272 231 K C -0.951 175.680 176.600 0.052 0.000 1.033 231 K CA 0.307 56.618 56.287 0.041 0.000 0.884 231 K CB 1.142 33.659 32.500 0.029 0.000 1.107 231 K HN 0.549 nan 8.250 nan 0.000 0.460 232 I N 2.425 123.039 120.570 0.074 0.000 2.336 232 I HA 0.420 4.590 4.170 -0.001 0.000 0.292 232 I C -0.123 176.055 176.117 0.101 0.000 0.991 232 I CA -0.928 60.440 61.300 0.113 0.000 1.227 232 I CB 1.695 39.797 38.000 0.171 0.000 1.366 232 I HN 0.590 nan 8.210 nan 0.000 0.466 233 A N 7.318 130.197 122.820 0.098 0.000 2.317 233 A HA 0.811 5.131 4.320 -0.001 0.000 0.327 233 A C -0.975 176.680 177.584 0.118 0.000 1.178 233 A CA -0.457 51.630 52.037 0.082 0.000 0.817 233 A CB 0.890 19.919 19.000 0.050 0.000 1.189 233 A HN 0.563 nan 8.150 nan 0.000 0.489 234 L N 2.494 123.776 121.223 0.098 0.000 2.305 234 L HA 0.521 4.861 4.340 -0.001 0.000 0.284 234 L C -0.542 176.373 176.870 0.074 0.000 1.013 234 L CA 0.242 55.146 54.840 0.107 0.000 0.819 234 L CB 1.402 43.507 42.059 0.077 0.000 1.227 234 L HN 0.630 nan 8.230 nan 0.000 0.417 235 L N 3.149 124.419 121.223 0.079 0.000 2.325 235 L HA 0.448 4.788 4.340 -0.001 0.000 0.281 235 L C 0.683 177.583 176.870 0.050 0.000 1.004 235 L CA -0.451 54.422 54.840 0.055 0.000 0.823 235 L CB 1.787 43.875 42.059 0.049 0.000 1.236 235 L HN 0.545 nan 8.230 nan 0.000 0.415 236 N N 0.896 119.618 118.700 0.037 0.000 2.422 236 N HA -0.015 4.725 4.740 -0.001 0.000 0.181 236 N C 0.219 175.745 175.510 0.027 0.000 1.080 236 N CA 0.045 53.114 53.050 0.030 0.000 0.893 236 N CB 0.285 38.786 38.487 0.023 0.000 0.973 236 N HN 0.543 nan 8.380 nan 0.000 0.456 237 C N 0.891 120.208 119.300 0.028 0.000 2.534 237 C HA 0.741 5.201 4.460 -0.001 0.000 0.385 237 C C 0.447 175.453 174.990 0.027 0.000 1.264 237 C CA -0.821 58.212 59.018 0.025 0.000 2.342 237 C CB -0.481 27.272 27.740 0.023 0.000 2.564 237 C HN 0.463 nan 8.230 nan 0.000 0.603 238 A N 5.355 128.190 122.820 0.025 0.000 2.320 238 A HA 0.535 4.855 4.320 -0.001 0.000 0.287 238 A C 0.220 177.821 177.584 0.028 0.000 1.181 238 A CA -0.398 51.655 52.037 0.027 0.000 0.831 238 A CB 0.019 19.034 19.000 0.024 0.000 1.102 238 A HN 0.848 nan 8.150 nan 0.000 0.513 239 I N 2.826 123.415 120.570 0.031 0.000 2.546 239 I HA 0.060 4.230 4.170 -0.001 0.000 0.275 239 I C 0.407 176.547 176.117 0.040 0.000 1.032 239 I CA 0.548 61.869 61.300 0.035 0.000 2.040 239 I CB -0.983 37.039 38.000 0.037 0.000 1.464 239 I HN 0.719 nan 8.210 nan 0.000 0.865 240 E N 1.421 121.642 120.200 0.035 0.000 2.449 240 E HA 0.530 4.880 4.350 -0.001 0.000 0.254 240 E C -0.414 176.208 176.600 0.036 0.000 0.907 240 E CA -1.132 55.290 56.400 0.037 0.000 0.840 240 E CB 1.830 31.548 29.700 0.030 0.000 1.459 240 E HN 0.041 nan 8.360 nan 0.000 0.407 241 I N 1.532 122.124 120.570 0.037 0.000 2.588 241 I HA 0.063 4.233 4.170 -0.001 0.000 0.283 241 I C 0.145 176.279 176.117 0.029 0.000 1.119 241 I CA 0.165 61.487 61.300 0.036 0.000 1.419 241 I CB 0.004 38.028 38.000 0.039 0.000 1.394 241 I HN 0.318 nan 8.210 nan 0.000 0.562 242 K N 6.207 126.624 120.400 0.028 0.000 2.219 242 K HA 0.236 4.556 4.320 -0.001 0.000 0.280 242 K C -0.149 176.464 176.600 0.023 0.000 1.104 242 K CA -0.244 56.058 56.287 0.024 0.000 0.925 242 K CB 0.410 32.923 32.500 0.022 0.000 1.261 242 K HN 0.497 nan 8.250 nan 0.000 0.445 243 E N 1.888 122.100 120.200 0.019 0.000 2.338 243 E HA 0.014 4.363 4.350 -0.001 0.000 0.272 243 E C 0.111 176.719 176.600 0.014 0.000 1.029 243 E CA -0.293 56.117 56.400 0.016 0.000 0.872 243 E CB 0.786 30.492 29.700 0.011 0.000 1.015 243 E HN 0.457 nan 8.360 nan 0.000 0.417 244 T N 0.675 115.237 114.554 0.014 0.000 2.926 244 T HA 0.033 4.383 4.350 -0.001 0.000 0.307 244 T C 1.026 175.731 174.700 0.009 0.000 1.059 244 T CA -0.729 61.378 62.100 0.012 0.000 1.122 244 T CB 1.117 69.993 68.868 0.013 0.000 0.972 244 T HN 0.364 nan 8.240 nan 0.000 0.545 245 E N 1.551 121.756 120.200 0.008 0.000 2.047 245 E HA -0.053 4.297 4.350 -0.001 0.000 0.191 245 E C 1.181 177.784 176.600 0.005 0.000 0.987 245 E CA 1.307 57.711 56.400 0.007 0.000 0.799 245 E CB -0.678 29.026 29.700 0.007 0.000 0.752 245 E HN 0.922 nan 8.360 nan 0.000 0.449 246 T N 1.912 116.469 114.554 0.006 0.000 2.817 246 T HA 0.067 4.416 4.350 -0.001 0.000 0.295 246 T C 0.091 174.793 174.700 0.003 0.000 0.958 246 T CA -0.616 61.487 62.100 0.004 0.000 1.157 246 T CB 0.509 69.380 68.868 0.005 0.000 0.898 246 T HN -0.178 nan 8.240 nan 0.000 0.536 247 D N 2.668 123.069 120.400 0.001 0.000 2.533 247 D HA 0.344 4.984 4.640 -0.001 0.000 0.236 247 D C 0.135 176.433 176.300 -0.002 0.000 1.137 247 D CA 0.549 54.548 54.000 -0.001 0.000 0.867 247 D CB 0.472 41.270 40.800 -0.003 0.000 1.170 247 D HN 0.893 nan 8.370 nan 0.000 0.474 248 A N 2.776 125.593 122.820 -0.005 0.000 2.401 248 A HA 0.603 4.922 4.320 -0.001 0.000 0.310 248 A C -0.396 177.176 177.584 -0.020 0.000 1.075 248 A CA -0.652 51.381 52.037 -0.007 0.000 0.746 248 A CB 1.977 20.977 19.000 0.001 0.000 1.277 248 A HN 0.515 nan 8.150 nan 0.000 0.425 249 E N 1.182 121.364 120.200 -0.028 0.000 2.331 249 E HA 0.582 4.932 4.350 -0.001 0.000 0.275 249 E C -1.422 175.132 176.600 -0.078 0.000 0.895 249 E CA -0.493 55.876 56.400 -0.052 0.000 0.753 249 E CB 1.773 31.447 29.700 -0.043 0.000 1.216 249 E HN 0.638 nan 8.360 nan 0.000 0.434 250 I N 2.959 123.443 120.570 -0.144 0.000 2.488 250 I HA 0.421 4.590 4.170 -0.001 0.000 0.299 250 I C -0.058 175.939 176.117 -0.200 0.000 0.984 250 I CA -0.790 60.368 61.300 -0.237 0.000 1.250 250 I CB 0.978 38.655 38.000 -0.538 0.000 1.389 250 I HN 0.223 nan 8.210 nan 0.000 0.488 251 R N 5.828 126.239 120.500 -0.149 0.000 2.409 251 R HA 0.541 4.881 4.340 -0.001 0.000 0.313 251 R C -1.271 175.004 176.300 -0.042 0.000 0.953 251 R CA -0.857 55.194 56.100 -0.083 0.000 0.849 251 R CB 1.636 31.918 30.300 -0.029 0.000 1.171 251 R HN 0.451 nan 8.270 nan 0.000 0.458 252 I N 1.717 122.262 120.570 -0.042 0.000 2.354 252 I HA 0.221 4.390 4.170 -0.001 0.000 0.292 252 I C 1.406 177.542 176.117 0.032 0.000 0.989 252 I CA 0.069 61.388 61.300 0.032 0.000 1.188 252 I CB 1.982 40.000 38.000 0.029 0.000 1.342 252 I HN 0.648 nan 8.210 nan 0.000 0.457 253 T N -0.728 113.857 114.554 0.051 0.000 2.955 253 T HA 0.207 4.557 4.350 -0.001 0.000 0.251 253 T C 0.269 174.991 174.700 0.037 0.000 1.002 253 T CA -0.148 61.973 62.100 0.035 0.000 0.970 253 T CB -0.010 68.876 68.868 0.030 0.000 1.091 253 T HN 0.398 nan 8.240 nan 0.000 0.495 254 D N 2.929 123.360 120.400 0.051 0.000 2.256 254 D HA 0.378 5.017 4.640 -0.001 0.000 0.240 254 D C -1.384 174.945 176.300 0.048 0.000 1.062 254 D CA -2.564 51.462 54.000 0.043 0.000 0.832 254 D CB 2.170 42.994 40.800 0.040 0.000 1.135 254 D HN -0.097 nan 8.370 nan 0.000 0.484 255 P HA -0.156 nan 4.420 nan 0.000 0.219 255 P C 0.764 178.087 177.300 0.038 0.000 1.146 255 P CA 0.705 63.825 63.100 0.034 0.000 0.808 255 P CB 0.222 31.936 31.700 0.023 0.000 0.779 256 A N -0.111 122.729 122.820 0.033 0.000 2.167 256 A HA -0.028 4.292 4.320 -0.001 0.000 0.214 256 A C 2.092 179.696 177.584 0.033 0.000 1.151 256 A CA 0.806 52.859 52.037 0.026 0.000 0.735 256 A CB -0.641 18.367 19.000 0.013 0.000 0.802 256 A HN 0.020 nan 8.150 nan 0.000 0.467 257 K N -0.191 120.245 120.400 0.061 0.000 2.459 257 K HA 0.169 4.489 4.320 -0.001 0.000 0.193 257 K C 1.467 178.181 176.600 0.189 0.000 1.030 257 K CA 0.154 56.498 56.287 0.094 0.000 1.026 257 K CB -0.192 32.401 32.500 0.155 0.000 0.809 257 K HN 0.522 nan 8.250 nan 0.000 0.504 258 L N 0.343 121.652 121.223 0.143 0.000 1.976 258 L HA -0.167 4.173 4.340 -0.001 0.000 0.209 258 L C 2.352 179.305 176.870 0.138 0.000 1.071 258 L CA 1.136 56.066 54.840 0.149 0.000 0.746 258 L CB -0.423 41.685 42.059 0.081 0.000 0.890 258 L HN 0.125 nan 8.230 nan 0.000 0.432 259 M N -0.644 119.003 119.600 0.078 0.000 2.346 259 M HA -0.186 4.294 4.480 -0.001 0.000 0.263 259 M C 2.051 178.374 176.300 0.038 0.000 1.064 259 M CA 1.420 56.753 55.300 0.054 0.000 1.083 259 M CB -1.031 31.587 32.600 0.030 0.000 1.399 259 M HN 0.318 nan 8.290 nan 0.000 0.435 260 E N -0.309 119.897 120.200 0.011 0.000 2.031 260 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 260 E C 1.945 178.469 176.600 -0.127 0.000 0.994 260 E CA 1.342 57.677 56.400 -0.109 0.000 0.800 260 E CB -0.160 29.392 29.700 -0.247 0.000 0.752 260 E HN 0.429 nan 8.360 nan 0.000 0.447 261 F N 0.742 120.696 119.950 0.008 0.000 2.146 261 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 261 F C 2.293 178.100 175.800 0.012 0.000 1.096 261 F CA 0.728 58.733 58.000 0.009 0.000 1.275 261 F CB -0.214 38.790 39.000 0.007 0.000 1.008 261 F HN -0.024 nan 8.300 nan 0.000 0.480 262 I N 0.049 120.742 120.570 0.204 0.000 2.163 262 I HA -0.289 3.881 4.170 -0.001 0.000 0.243 262 I C 2.139 178.306 176.117 0.084 0.000 1.085 262 I CA 1.631 63.003 61.300 0.120 0.000 1.347 262 I CB -0.567 37.487 38.000 0.089 0.000 1.044 262 I HN 0.154 nan 8.210 nan 0.000 0.408 263 E N 0.112 120.347 120.200 0.058 0.000 2.204 263 E HA -0.274 4.075 4.350 -0.001 0.000 0.194 263 E C 2.076 178.690 176.600 0.024 0.000 0.989 263 E CA 0.884 57.306 56.400 0.037 0.000 0.824 263 E CB -0.016 29.694 29.700 0.016 0.000 0.756 263 E HN 0.392 nan 8.360 nan 0.000 0.477 264 Q N 1.169 120.978 119.800 0.015 0.000 2.137 264 Q HA -0.139 4.201 4.340 -0.001 0.000 0.198 264 Q C 1.740 177.763 176.000 0.038 0.000 0.960 264 Q CA 1.422 57.226 55.803 0.002 0.000 0.847 264 Q CB 0.092 28.805 28.738 -0.041 0.000 0.915 264 Q HN 0.203 nan 8.270 nan 0.000 0.448 265 E N 0.022 120.266 120.200 0.074 0.000 2.072 265 E HA -0.200 4.149 4.350 -0.001 0.000 0.191 265 E C 1.508 178.150 176.600 0.070 0.000 0.985 265 E CA 1.265 57.712 56.400 0.079 0.000 0.801 265 E CB 0.016 29.773 29.700 0.095 0.000 0.750 265 E HN 0.682 nan 8.360 nan 0.000 0.452 266 E N 0.359 120.607 120.200 0.079 0.000 2.482 266 E HA -0.144 4.206 4.350 -0.001 0.000 0.196 266 E C 1.821 178.462 176.600 0.069 0.000 1.047 266 E CA 0.480 56.947 56.400 0.111 0.000 0.869 266 E CB 0.018 29.804 29.700 0.144 0.000 0.836 266 E HN 0.014 nan 8.360 nan 0.000 0.520 267 K N 0.660 121.074 120.400 0.024 0.000 2.365 267 K HA 0.056 4.376 4.320 -0.001 0.000 0.197 267 K C 1.831 178.411 176.600 -0.033 0.000 1.042 267 K CA 0.374 56.646 56.287 -0.026 0.000 0.987 267 K CB 0.099 32.585 32.500 -0.023 0.000 0.779 267 K HN 0.177 nan 8.250 nan 0.000 0.484 268 M N 0.229 119.829 119.600 0.000 0.000 2.388 268 M HA -0.061 4.419 4.480 -0.001 0.000 0.265 268 M C 1.373 177.675 176.300 0.004 0.000 1.088 268 M CA 0.588 55.890 55.300 0.003 0.000 1.134 268 M CB 0.138 32.751 32.600 0.022 0.000 1.384 268 M HN 0.074 nan 8.290 nan 0.000 0.447 269 L N 0.375 121.612 121.223 0.024 0.000 2.162 269 L HA -0.028 4.312 4.340 -0.001 0.000 0.205 269 L C 2.150 178.994 176.870 -0.043 0.000 1.086 269 L CA 1.679 56.550 54.840 0.053 0.000 0.778 269 L CB -0.659 41.495 42.059 0.159 0.000 0.928 269 L HN 0.154 nan 8.230 nan 0.000 0.446 270 K N -0.451 119.820 120.400 -0.214 0.000 2.097 270 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 270 K C 1.580 178.048 176.600 -0.221 0.000 1.049 270 K CA 1.289 57.298 56.287 -0.462 0.000 0.933 270 K CB -0.076 32.101 32.500 -0.538 0.000 0.717 270 K HN 0.265 nan 8.250 nan 0.000 0.442 271 D N 0.671 120.997 120.400 -0.124 0.000 2.117 271 D HA -0.113 4.527 4.640 -0.001 0.000 0.198 271 D C 1.872 178.141 176.300 -0.050 0.000 0.982 271 D CA 1.214 55.169 54.000 -0.075 0.000 0.828 271 D CB -0.032 40.740 40.800 -0.047 0.000 0.967 271 D HN 0.179 nan 8.370 nan 0.000 0.464 272 M N 0.115 119.696 119.600 -0.033 0.000 2.117 272 M HA -0.120 4.360 4.480 -0.001 0.000 0.262 272 M C 2.287 178.583 176.300 -0.007 0.000 1.065 272 M CA 0.866 56.161 55.300 -0.009 0.000 1.114 272 M CB -0.077 32.530 32.600 0.012 0.000 1.361 272 M HN -0.117 nan 8.290 nan 0.000 0.408 273 V N 0.285 120.193 119.914 -0.011 0.000 2.427 273 V HA -0.199 3.921 4.120 -0.001 0.000 0.248 273 V C 2.525 178.606 176.094 -0.021 0.000 1.051 273 V CA 1.854 64.154 62.300 0.001 0.000 1.048 273 V CB -1.108 30.737 31.823 0.038 0.000 0.666 273 V HN 0.510 nan 8.190 nan 0.000 0.456 274 A N -0.599 122.192 122.820 -0.049 0.000 2.066 274 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 274 A C 2.121 179.689 177.584 -0.027 0.000 1.157 274 A CA 1.281 53.291 52.037 -0.045 0.000 0.670 274 A CB -0.314 18.647 19.000 -0.065 0.000 0.804 274 A HN 0.614 nan 8.150 nan 0.000 0.453 275 E N -0.513 119.674 120.200 -0.021 0.000 2.230 275 E HA 0.017 4.367 4.350 -0.001 0.000 0.192 275 E C 1.560 178.157 176.600 -0.005 0.000 0.987 275 E CA 0.581 56.974 56.400 -0.012 0.000 0.841 275 E CB -0.085 29.610 29.700 -0.009 0.000 0.783 275 E HN 0.703 nan 8.360 nan 0.000 0.481 276 I N 0.963 121.531 120.570 -0.003 0.000 2.406 276 I HA -0.172 3.998 4.170 -0.001 0.000 0.249 276 I C 2.433 178.549 176.117 -0.001 0.000 1.122 276 I CA 0.769 62.070 61.300 0.002 0.000 1.431 276 I CB -0.029 37.974 38.000 0.004 0.000 1.087 276 I HN -0.059 nan 8.210 nan 0.000 0.424 277 K N 1.514 121.911 120.400 -0.005 0.000 2.283 277 K HA -0.096 4.224 4.320 -0.001 0.000 0.202 277 K C 2.061 178.658 176.600 -0.005 0.000 1.048 277 K CA 1.063 57.346 56.287 -0.006 0.000 0.948 277 K CB 0.043 32.537 32.500 -0.010 0.000 0.742 277 K HN 0.294 nan 8.250 nan 0.000 0.458 278 A N 0.748 123.564 122.820 -0.006 0.000 2.015 278 A HA -0.109 4.211 4.320 -0.001 0.000 0.219 278 A C 1.976 179.560 177.584 -0.001 0.000 1.163 278 A CA 1.763 53.797 52.037 -0.005 0.000 0.646 278 A CB -0.354 18.642 19.000 -0.007 0.000 0.806 278 A HN 0.483 nan 8.150 nan 0.000 0.448 279 S N -2.229 113.472 115.700 0.002 0.000 2.470 279 S HA 0.358 4.828 4.470 -0.001 0.000 0.225 279 S C 1.460 176.064 174.600 0.007 0.000 1.006 279 S CA 1.132 59.336 58.200 0.006 0.000 0.934 279 S CB -0.141 63.064 63.200 0.009 0.000 0.778 279 S HN 1.832 nan 8.310 nan 0.000 0.517 280 G N 0.673 109.476 108.800 0.005 0.000 2.148 280 G HA2 0.025 3.985 3.960 -0.001 0.000 0.203 280 G HA3 0.025 3.985 3.960 -0.001 0.000 0.203 280 G C 0.100 175.004 174.900 0.008 0.000 0.993 280 G CA -0.225 44.878 45.100 0.005 0.000 0.661 280 G HN 1.184 nan 8.290 nan 0.000 0.518 281 A N 0.533 123.358 122.820 0.009 0.000 2.366 281 A HA 0.627 4.947 4.320 -0.001 0.000 0.272 281 A C 1.006 178.591 177.584 0.003 0.000 1.135 281 A CA 0.500 52.544 52.037 0.012 0.000 0.804 281 A CB 0.290 19.301 19.000 0.017 0.000 1.064 281 A HN 0.974 nan 8.150 nan 0.000 0.499 282 N N 1.233 119.935 118.700 0.002 0.000 2.177 282 N HA 0.188 4.928 4.740 -0.001 0.000 0.218 282 N C -0.774 174.721 175.510 -0.024 0.000 1.182 282 N CA -0.003 53.042 53.050 -0.009 0.000 0.882 282 N CB 0.590 39.075 38.487 -0.005 0.000 1.052 282 N HN 0.220 nan 8.380 nan 0.000 0.519 283 V N 1.078 120.978 119.914 -0.023 0.000 2.733 283 V HA 0.492 4.612 4.120 -0.001 0.000 0.306 283 V C -1.573 174.472 176.094 -0.081 0.000 1.084 283 V CA -0.914 61.343 62.300 -0.071 0.000 0.905 283 V CB 2.343 34.148 31.823 -0.030 0.000 1.010 283 V HN 0.164 nan 8.190 nan 0.000 0.424 284 L N 5.026 126.122 121.223 -0.212 0.000 2.409 284 L HA 0.725 5.065 4.340 -0.001 0.000 0.272 284 L C -1.675 175.006 176.870 -0.316 0.000 0.980 284 L CA 0.040 54.790 54.840 -0.150 0.000 0.826 284 L CB 1.679 43.687 42.059 -0.085 0.000 1.268 284 L HN 0.500 nan 8.230 nan 0.000 0.407 285 F N 4.971 124.929 119.950 0.013 0.000 2.382 285 F HA 0.441 4.968 4.527 -0.001 0.000 0.361 285 F C 0.008 175.814 175.800 0.010 0.000 1.109 285 F CA -0.381 57.626 58.000 0.011 0.000 1.031 285 F CB 1.430 40.435 39.000 0.008 0.000 1.234 285 F HN 0.504 nan 8.300 nan 0.000 0.445 286 C N 4.368 123.759 119.300 0.152 0.000 2.341 286 C HA 0.236 4.696 4.460 -0.001 0.000 0.338 286 C C 1.571 176.619 174.990 0.098 0.000 1.257 286 C CA -0.259 58.818 59.018 0.099 0.000 1.883 286 C CB 0.913 28.685 27.740 0.054 0.000 2.334 286 C HN 1.039 nan 8.230 nan 0.000 0.524 287 Q N 2.693 122.537 119.800 0.074 0.000 2.163 287 Q HA 0.035 4.375 4.340 -0.001 0.000 0.198 287 Q C 0.945 176.971 176.000 0.043 0.000 0.954 287 Q CA 1.042 56.879 55.803 0.055 0.000 0.851 287 Q CB 0.213 28.975 28.738 0.040 0.000 0.928 287 Q HN 0.652 nan 8.270 nan 0.000 0.459 288 K N -0.213 120.210 120.400 0.039 0.000 2.760 288 K HA 0.353 4.673 4.320 -0.001 0.000 0.285 288 K C 0.143 176.762 176.600 0.032 0.000 1.016 288 K CA -0.020 56.285 56.287 0.031 0.000 1.087 288 K CB -0.352 32.164 32.500 0.027 0.000 1.427 288 K HN 0.150 nan 8.250 nan 0.000 0.524 289 G N 0.319 109.135 108.800 0.027 0.000 2.448 289 G HA2 0.523 4.482 3.960 -0.001 0.000 0.285 289 G HA3 0.523 4.482 3.960 -0.001 0.000 0.285 289 G C -0.411 174.504 174.900 0.026 0.000 1.176 289 G CA -0.564 44.550 45.100 0.025 0.000 0.852 289 G HN 0.313 nan 8.290 nan 0.000 0.530 290 I N 1.191 121.775 120.570 0.024 0.000 2.389 290 I HA 0.166 4.336 4.170 -0.001 0.000 0.288 290 I C -0.239 175.894 176.117 0.027 0.000 0.999 290 I CA -0.812 60.504 61.300 0.026 0.000 1.129 290 I CB 1.859 39.872 38.000 0.021 0.000 1.288 290 I HN 0.374 nan 8.210 nan 0.000 0.444 291 D N 4.426 124.846 120.400 0.035 0.000 2.423 291 D HA -0.077 4.563 4.640 -0.001 0.000 0.238 291 D C 0.664 176.983 176.300 0.031 0.000 1.142 291 D CA 0.337 54.358 54.000 0.035 0.000 0.884 291 D CB 1.298 42.126 40.800 0.047 0.000 1.199 291 D HN 0.515 nan 8.370 nan 0.000 0.438 292 D N 2.132 122.543 120.400 0.018 0.000 2.144 292 D HA -0.108 4.531 4.640 -0.001 0.000 0.199 292 D C 2.095 178.389 176.300 -0.011 0.000 0.984 292 D CA 0.704 54.705 54.000 0.002 0.000 0.834 292 D CB 0.092 40.885 40.800 -0.011 0.000 0.955 292 D HN 0.419 nan 8.370 nan 0.000 0.465 293 L N 0.269 121.488 121.223 -0.006 0.000 2.042 293 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 293 L C 2.489 179.352 176.870 -0.011 0.000 1.076 293 L CA 1.325 56.137 54.840 -0.048 0.000 0.749 293 L CB -0.362 41.731 42.059 0.056 0.000 0.893 293 L HN -0.018 nan 8.230 nan 0.000 0.432 294 A N -0.810 122.081 122.820 0.118 0.000 2.015 294 A HA -0.200 4.119 4.320 -0.001 0.000 0.219 294 A C 2.194 179.836 177.584 0.097 0.000 1.163 294 A CA 1.167 53.314 52.037 0.184 0.000 0.646 294 A CB -0.332 18.750 19.000 0.138 0.000 0.806 294 A HN 0.489 nan 8.150 nan 0.000 0.448 295 Q N -1.324 118.501 119.800 0.043 0.000 2.119 295 Q HA -0.187 4.153 4.340 -0.001 0.000 0.201 295 Q C 2.101 178.102 176.000 0.002 0.000 0.972 295 Q CA 1.407 57.220 55.803 0.017 0.000 0.847 295 Q CB -0.343 28.401 28.738 0.010 0.000 0.903 295 Q HN 0.916 nan 8.270 nan 0.000 0.433 296 H N -0.402 118.587 119.070 -0.135 0.000 2.389 296 H HA -0.137 4.418 4.556 -0.000 0.000 0.299 296 H C 1.283 176.510 175.328 -0.168 0.000 1.081 296 H CA 1.364 57.289 56.048 -0.205 0.000 1.345 296 H CB 0.176 29.732 29.762 -0.343 0.000 1.393 296 H HN 0.282 nan 8.280 nan 0.000 0.520 297 Y N 0.678 120.931 120.300 -0.077 0.000 2.263 297 Y HA -0.082 4.468 4.550 -0.001 0.000 0.292 297 Y C 2.901 178.730 175.900 -0.118 0.000 1.130 297 Y CA 0.519 58.546 58.100 -0.122 0.000 1.179 297 Y CB -0.513 37.942 38.460 -0.008 0.000 0.998 297 Y HN 0.106 nan 8.280 nan 0.000 0.532 298 L N -0.786 120.477 121.223 0.066 0.000 2.046 298 L HA -0.231 4.108 4.340 -0.001 0.000 0.208 298 L C 2.585 179.432 176.870 -0.039 0.000 1.077 298 L CA 1.292 56.138 54.840 0.011 0.000 0.747 298 L CB -0.707 41.355 42.059 0.005 0.000 0.896 298 L HN 0.215 nan 8.230 nan 0.000 0.432 299 A N -0.598 122.175 122.820 -0.078 0.000 2.015 299 A HA -0.209 4.111 4.320 -0.001 0.000 0.219 299 A C 2.360 179.878 177.584 -0.110 0.000 1.163 299 A CA 1.484 53.467 52.037 -0.089 0.000 0.646 299 A CB -0.335 18.612 19.000 -0.088 0.000 0.806 299 A HN 0.309 nan 8.150 nan 0.000 0.448 300 K N -0.348 119.953 120.400 -0.166 0.000 2.155 300 K HA -0.080 4.239 4.320 -0.001 0.000 0.203 300 K C 1.311 177.875 176.600 -0.060 0.000 1.052 300 K CA 1.119 57.321 56.287 -0.142 0.000 0.948 300 K CB 0.015 32.394 32.500 -0.203 0.000 0.728 300 K HN 0.396 nan 8.250 nan 0.000 0.448 301 E N -0.723 119.453 120.200 -0.040 0.000 2.371 301 E HA -0.011 4.339 4.350 -0.001 0.000 0.194 301 E C 0.980 177.566 176.600 -0.024 0.000 1.012 301 E CA 0.896 57.283 56.400 -0.021 0.000 0.860 301 E CB 0.611 30.305 29.700 -0.010 0.000 0.811 301 E HN 0.565 nan 8.360 nan 0.000 0.502 302 G N 1.727 110.508 108.800 -0.032 0.000 2.141 302 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.231 302 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.231 302 G C 0.253 175.135 174.900 -0.031 0.000 0.984 302 G CA -0.017 45.066 45.100 -0.029 0.000 0.660 302 G HN 0.219 nan 8.290 nan 0.000 0.525 303 I N 1.774 122.324 120.570 -0.034 0.000 2.337 303 I HA 0.308 4.478 4.170 -0.001 0.000 0.291 303 I C 0.808 176.889 176.117 -0.061 0.000 1.046 303 I CA -0.900 60.376 61.300 -0.040 0.000 1.324 303 I CB 1.436 39.417 38.000 -0.032 0.000 1.409 303 I HN -0.118 nan 8.210 nan 0.000 0.494 304 V N 6.620 126.488 119.914 -0.077 0.000 2.439 304 V HA 0.440 4.560 4.120 -0.001 0.000 0.271 304 V C 0.647 176.631 176.094 -0.184 0.000 1.040 304 V CA -0.131 62.102 62.300 -0.111 0.000 1.002 304 V CB 0.496 32.254 31.823 -0.108 0.000 1.000 304 V HN 0.854 nan 8.190 nan 0.000 0.477 305 A N 4.495 127.211 122.820 -0.174 0.000 2.413 305 A HA 0.997 5.317 4.320 -0.001 0.000 0.307 305 A C -0.354 177.106 177.584 -0.205 0.000 1.087 305 A CA -0.350 51.560 52.037 -0.212 0.000 0.750 305 A CB 1.988 20.921 19.000 -0.111 0.000 1.296 305 A HN 1.365 nan 8.150 nan 0.000 0.423 306 A N 1.404 124.089 122.820 -0.225 0.000 2.398 306 A HA 0.732 5.052 4.320 -0.001 0.000 0.301 306 A C -0.219 177.369 177.584 0.007 0.000 1.041 306 A CA -0.733 51.249 52.037 -0.092 0.000 0.711 306 A CB 0.939 19.898 19.000 -0.068 0.000 1.240 306 A HN 1.155 nan 8.150 nan 0.000 0.420 307 R N 1.646 122.161 120.500 0.024 0.000 2.598 307 R HA 0.757 5.097 4.340 -0.001 0.000 0.279 307 R C -0.463 175.868 176.300 0.052 0.000 0.984 307 R CA -0.798 55.324 56.100 0.037 0.000 0.999 307 R CB 0.667 30.981 30.300 0.023 0.000 1.114 307 R HN 0.666 nan 8.270 nan 0.000 0.493 308 R N 0.212 120.741 120.500 0.049 0.000 3.127 308 R HA -0.132 4.208 4.340 -0.001 0.000 0.247 308 R C -0.776 175.557 176.300 0.055 0.000 0.896 308 R CA 0.501 56.627 56.100 0.044 0.000 0.624 308 R CB -1.619 28.700 30.300 0.032 0.000 1.154 308 R HN 0.432 nan 8.270 nan 0.000 0.474 309 V N 2.335 122.294 119.914 0.075 0.000 2.546 309 V HA 0.109 4.229 4.120 -0.001 0.000 0.284 309 V C 1.148 177.263 176.094 0.036 0.000 1.050 309 V CA -0.482 61.864 62.300 0.077 0.000 0.981 309 V CB 1.494 33.397 31.823 0.133 0.000 0.990 309 V HN 0.163 nan 8.190 nan 0.000 0.474 310 K N 3.303 123.712 120.400 0.015 0.000 2.527 310 K HA -0.027 4.292 4.320 -0.001 0.000 0.278 310 K C 1.263 177.858 176.600 -0.008 0.000 0.981 310 K CA 0.228 56.515 56.287 -0.000 0.000 1.009 310 K CB 0.469 32.962 32.500 -0.011 0.000 0.895 310 K HN 0.615 nan 8.250 nan 0.000 0.493 311 K N 1.620 122.016 120.400 -0.006 0.000 2.211 311 K HA -0.170 4.150 4.320 -0.001 0.000 0.204 311 K C 1.626 178.214 176.600 -0.020 0.000 1.047 311 K CA 1.847 58.129 56.287 -0.008 0.000 0.935 311 K CB 0.134 32.631 32.500 -0.004 0.000 0.728 311 K HN 0.622 nan 8.250 nan 0.000 0.452 312 S N 0.058 115.743 115.700 -0.025 0.000 2.414 312 S HA -0.067 4.403 4.470 -0.001 0.000 0.227 312 S C 1.410 175.979 174.600 -0.052 0.000 1.022 312 S CA 0.853 59.032 58.200 -0.034 0.000 0.958 312 S CB -0.021 63.160 63.200 -0.031 0.000 0.797 312 S HN 0.255 nan 8.310 nan 0.000 0.493 313 D N 1.269 121.632 120.400 -0.062 0.000 2.234 313 D HA 0.094 4.734 4.640 -0.001 0.000 0.205 313 D C 1.893 178.118 176.300 -0.126 0.000 0.962 313 D CA 0.746 54.687 54.000 -0.100 0.000 0.855 313 D CB -0.154 40.584 40.800 -0.104 0.000 0.951 313 D HN 0.318 nan 8.370 nan 0.000 0.500 314 M N 0.405 119.954 119.600 -0.085 0.000 2.175 314 M HA -0.078 4.401 4.480 -0.001 0.000 0.264 314 M C 1.822 178.081 176.300 -0.069 0.000 1.063 314 M CA 1.145 56.399 55.300 -0.077 0.000 1.119 314 M CB -0.684 31.901 32.600 -0.026 0.000 1.377 314 M HN 0.061 nan 8.290 nan 0.000 0.415 315 E N -0.138 120.029 120.200 -0.055 0.000 2.208 315 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 315 E C 2.094 178.659 176.600 -0.057 0.000 0.988 315 E CA 0.581 56.954 56.400 -0.045 0.000 0.828 315 E CB 0.124 29.804 29.700 -0.033 0.000 0.763 315 E HN 0.357 nan 8.360 nan 0.000 0.478 316 K N 0.707 121.060 120.400 -0.077 0.000 2.025 316 K HA -0.083 4.237 4.320 -0.001 0.000 0.207 316 K C 2.245 178.783 176.600 -0.104 0.000 1.049 316 K CA 0.777 57.010 56.287 -0.089 0.000 0.933 316 K CB -0.339 32.097 32.500 -0.106 0.000 0.714 316 K HN 0.176 nan 8.250 nan 0.000 0.438 317 L N 0.770 121.906 121.223 -0.145 0.000 2.083 317 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 317 L C 2.561 179.377 176.870 -0.090 0.000 1.083 317 L CA 1.162 55.902 54.840 -0.167 0.000 0.752 317 L CB -0.530 41.354 42.059 -0.291 0.000 0.899 317 L HN 0.133 nan 8.230 nan 0.000 0.433 318 A N -0.102 122.678 122.820 -0.066 0.000 1.933 318 A HA -0.189 4.131 4.320 -0.001 0.000 0.218 318 A C 2.283 179.854 177.584 -0.022 0.000 1.175 318 A CA 1.526 53.545 52.037 -0.030 0.000 0.628 318 A CB -0.244 18.743 19.000 -0.021 0.000 0.814 318 A HN 0.338 nan 8.150 nan 0.000 0.444 319 K N -0.740 119.641 120.400 -0.032 0.000 2.314 319 K HA 0.212 4.531 4.320 -0.001 0.000 0.198 319 K C 2.065 178.650 176.600 -0.026 0.000 1.045 319 K CA 0.689 56.962 56.287 -0.024 0.000 0.988 319 K CB -0.023 32.459 32.500 -0.030 0.000 0.783 319 K HN 0.423 nan 8.250 nan 0.000 0.484 320 A N 1.222 124.019 122.820 -0.038 0.000 1.887 320 A HA -0.076 4.243 4.320 -0.001 0.000 0.212 320 A C 2.221 179.795 177.584 -0.016 0.000 1.198 320 A CA 1.556 53.569 52.037 -0.040 0.000 0.628 320 A CB -0.543 18.422 19.000 -0.059 0.000 0.847 320 A HN 0.334 nan 8.150 nan 0.000 0.449 321 T N -4.405 110.143 114.554 -0.010 0.000 3.044 321 T HA 0.399 4.748 4.350 -0.001 0.000 0.255 321 T C 1.259 175.976 174.700 0.029 0.000 1.073 321 T CA 1.154 63.263 62.100 0.014 0.000 1.125 321 T CB 0.043 68.922 68.868 0.020 0.000 0.908 321 T HN 1.760 nan 8.240 nan 0.000 0.480 322 G N 1.146 109.960 108.800 0.023 0.000 2.356 322 G HA2 0.247 4.207 3.960 -0.001 0.000 0.233 322 G HA3 0.247 4.207 3.960 -0.001 0.000 0.233 322 G C 0.017 174.933 174.900 0.027 0.000 1.105 322 G CA -0.208 44.911 45.100 0.032 0.000 0.861 322 G HN 1.023 nan 8.290 nan 0.000 0.493 323 A N -0.285 122.548 122.820 0.022 0.000 2.373 323 A HA 0.926 5.246 4.320 -0.001 0.000 0.291 323 A C 0.027 177.623 177.584 0.019 0.000 1.171 323 A CA -0.802 51.250 52.037 0.025 0.000 0.922 323 A CB 1.051 20.072 19.000 0.035 0.000 1.400 323 A HN 0.363 nan 8.150 nan 0.000 0.474 324 N N -0.537 118.177 118.700 0.022 0.000 2.258 324 N HA 0.408 5.148 4.740 -0.001 0.000 0.299 324 N C -1.378 174.145 175.510 0.021 0.000 1.047 324 N CA -0.366 52.695 53.050 0.018 0.000 0.814 324 N CB 1.994 40.491 38.487 0.017 0.000 1.413 324 N HN 0.268 nan 8.380 nan 0.000 0.478 325 V N 3.286 123.209 119.914 0.017 0.000 2.387 325 V HA 0.216 4.336 4.120 -0.001 0.000 0.260 325 V C 0.369 176.475 176.094 0.020 0.000 1.054 325 V CA -0.244 62.068 62.300 0.019 0.000 0.967 325 V CB -0.335 31.495 31.823 0.013 0.000 1.036 325 V HN 0.428 nan 8.190 nan 0.000 0.481 326 I N 4.841 125.426 120.570 0.024 0.000 2.336 326 I HA 0.278 4.448 4.170 -0.001 0.000 0.292 326 I C 1.199 177.329 176.117 0.021 0.000 0.991 326 I CA 0.017 61.330 61.300 0.021 0.000 1.227 326 I CB 1.369 39.383 38.000 0.022 0.000 1.366 326 I HN 0.529 nan 8.210 nan 0.000 0.466 327 T N 3.298 117.862 114.554 0.017 0.000 3.086 327 T HA 0.050 4.400 4.350 -0.001 0.000 0.250 327 T C 0.688 175.397 174.700 0.016 0.000 1.074 327 T CA 0.184 62.294 62.100 0.017 0.000 0.988 327 T CB -0.365 68.511 68.868 0.014 0.000 0.988 327 T HN 0.448 nan 8.240 nan 0.000 0.530 328 N N 0.776 119.485 118.700 0.015 0.000 2.504 328 N HA 0.361 5.101 4.740 -0.001 0.000 0.280 328 N C 0.336 175.854 175.510 0.014 0.000 1.052 328 N CA -0.529 52.530 53.050 0.014 0.000 0.887 328 N CB 0.932 39.426 38.487 0.011 0.000 1.323 328 N HN 0.029 nan 8.380 nan 0.000 0.509 329 I N 2.514 123.093 120.570 0.015 0.000 2.614 329 I HA -0.128 4.042 4.170 -0.001 0.000 0.258 329 I C 1.367 177.490 176.117 0.010 0.000 1.189 329 I CA 0.943 62.252 61.300 0.014 0.000 1.462 329 I CB 0.281 38.290 38.000 0.015 0.000 1.092 329 I HN 0.428 nan 8.210 nan 0.000 0.442 330 K N -0.159 120.246 120.400 0.008 0.000 2.217 330 K HA -0.119 4.201 4.320 -0.001 0.000 0.202 330 K C 1.094 177.697 176.600 0.005 0.000 1.051 330 K CA 0.873 57.163 56.287 0.005 0.000 0.952 330 K CB -0.222 32.281 32.500 0.004 0.000 0.736 330 K HN 0.383 nan 8.250 nan 0.000 0.453 331 D N 0.844 121.248 120.400 0.007 0.000 2.424 331 D HA 0.000 4.640 4.640 -0.001 0.000 0.220 331 D C -0.504 175.801 176.300 0.009 0.000 1.150 331 D CA -0.214 53.791 54.000 0.007 0.000 0.831 331 D CB 0.247 41.051 40.800 0.008 0.000 0.981 331 D HN -0.057 nan 8.370 nan 0.000 0.500 332 L N 1.632 122.861 121.223 0.010 0.000 2.536 332 L HA 0.091 4.431 4.340 -0.001 0.000 0.282 332 L C 0.227 177.103 176.870 0.010 0.000 1.147 332 L CA 0.259 55.106 54.840 0.012 0.000 0.936 332 L CB 0.496 42.563 42.059 0.014 0.000 1.279 332 L HN -0.237 nan 8.230 nan 0.000 0.461 333 S N 3.116 118.823 115.700 0.010 0.000 2.645 333 S HA 0.552 5.022 4.470 -0.001 0.000 0.266 333 S C 1.376 175.982 174.600 0.010 0.000 1.258 333 S CA -0.049 58.156 58.200 0.009 0.000 0.990 333 S CB 1.401 64.606 63.200 0.008 0.000 0.967 333 S HN 0.801 nan 8.310 nan 0.000 0.556 334 A N 1.573 124.398 122.820 0.009 0.000 2.119 334 A HA 0.073 4.393 4.320 -0.001 0.000 0.216 334 A C 1.715 179.306 177.584 0.012 0.000 1.152 334 A CA 0.840 52.883 52.037 0.010 0.000 0.708 334 A CB -0.420 18.584 19.000 0.007 0.000 0.805 334 A HN 0.793 nan 8.150 nan 0.000 0.460 335 Q N 0.052 119.859 119.800 0.011 0.000 2.360 335 Q HA 0.048 4.388 4.340 -0.001 0.000 0.202 335 Q C 0.071 176.079 176.000 0.014 0.000 0.915 335 Q CA 0.577 56.387 55.803 0.011 0.000 0.943 335 Q CB 0.317 29.060 28.738 0.008 0.000 1.064 335 Q HN 0.473 nan 8.270 nan 0.000 0.511 336 D N -0.229 120.181 120.400 0.016 0.000 2.325 336 D HA 0.091 4.731 4.640 -0.001 0.000 0.225 336 D C -0.299 176.017 176.300 0.026 0.000 1.096 336 D CA 0.195 54.207 54.000 0.020 0.000 0.844 336 D CB 0.298 41.109 40.800 0.019 0.000 0.925 336 D HN 0.232 nan 8.370 nan 0.000 0.513 337 L N 0.218 121.457 121.223 0.027 0.000 2.325 337 L HA 0.536 4.876 4.340 -0.001 0.000 0.279 337 L C 1.230 178.122 176.870 0.036 0.000 1.054 337 L CA -0.918 53.943 54.840 0.035 0.000 0.804 337 L CB 1.637 43.716 42.059 0.032 0.000 1.200 337 L HN -0.127 nan 8.230 nan 0.000 0.436 338 G N 0.226 109.053 108.800 0.046 0.000 2.522 338 G HA2 0.413 4.373 3.960 -0.001 0.000 0.304 338 G HA3 0.413 4.373 3.960 -0.001 0.000 0.304 338 G C -1.585 173.343 174.900 0.048 0.000 1.210 338 G CA -0.117 45.009 45.100 0.044 0.000 0.960 338 G HN 0.618 nan 8.290 nan 0.000 0.497 339 D N -1.096 119.331 120.400 0.045 0.000 2.686 339 D HA 0.586 5.226 4.640 -0.001 0.000 0.249 339 D C -0.442 175.886 176.300 0.047 0.000 1.260 339 D CA -0.103 53.924 54.000 0.045 0.000 0.910 339 D CB 1.603 42.425 40.800 0.037 0.000 1.323 339 D HN 0.575 nan 8.370 nan 0.000 0.561 340 A N 1.922 124.773 122.820 0.052 0.000 2.414 340 A HA 0.649 4.969 4.320 -0.001 0.000 0.306 340 A C 1.080 178.695 177.584 0.051 0.000 1.054 340 A CA -0.336 51.733 52.037 0.053 0.000 0.724 340 A CB 1.677 20.715 19.000 0.065 0.000 1.267 340 A HN 0.581 nan 8.150 nan 0.000 0.418 341 G N 0.180 109.008 108.800 0.047 0.000 2.484 341 G HA2 0.324 4.284 3.960 -0.001 0.000 0.218 341 G HA3 0.324 4.284 3.960 -0.001 0.000 0.218 341 G C 0.274 175.200 174.900 0.044 0.000 1.130 341 G CA 0.807 45.931 45.100 0.041 0.000 0.784 341 G HN 0.660 nan 8.290 nan 0.000 0.543 342 L N 0.296 121.553 121.223 0.057 0.000 2.543 342 L HA 0.497 4.837 4.340 -0.001 0.000 0.265 342 L C -1.622 175.303 176.870 0.092 0.000 0.945 342 L CA -0.708 54.169 54.840 0.062 0.000 0.869 342 L CB 2.744 44.835 42.059 0.054 0.000 1.294 342 L HN -0.172 nan 8.230 nan 0.000 0.405 343 V N 3.571 123.540 119.914 0.092 0.000 2.443 343 V HA 0.551 4.671 4.120 -0.001 0.000 0.293 343 V C -0.617 175.539 176.094 0.102 0.000 1.021 343 V CA -0.479 61.898 62.300 0.129 0.000 0.848 343 V CB 1.734 33.637 31.823 0.134 0.000 0.998 343 V HN 0.746 nan 8.190 nan 0.000 0.424 344 E N 3.087 123.366 120.200 0.131 0.000 2.331 344 E HA 0.414 4.764 4.350 -0.001 0.000 0.275 344 E C -1.148 175.519 176.600 0.113 0.000 0.895 344 E CA -0.679 55.767 56.400 0.076 0.000 0.753 344 E CB 2.395 32.102 29.700 0.012 0.000 1.216 344 E HN 0.754 nan 8.360 nan 0.000 0.434 345 E N 4.437 124.677 120.200 0.067 0.000 2.014 345 E HA 0.227 4.577 4.350 -0.001 0.000 0.275 345 E C -0.733 175.883 176.600 0.027 0.000 0.997 345 E CA -0.310 56.142 56.400 0.086 0.000 0.804 345 E CB 0.602 30.340 29.700 0.063 0.000 1.090 345 E HN 0.335 nan 8.360 nan 0.000 0.401 346 R N 3.086 123.594 120.500 0.014 0.000 2.674 346 R HA 0.392 4.731 4.340 -0.001 0.000 0.266 346 R C -0.225 176.083 176.300 0.014 0.000 1.016 346 R CA -0.823 55.215 56.100 -0.104 0.000 1.062 346 R CB 1.250 31.272 30.300 -0.464 0.000 1.142 346 R HN 0.278 nan 8.270 nan 0.000 0.517 347 K N 1.853 122.246 120.400 -0.013 0.000 2.356 347 K HA 0.249 4.568 4.320 -0.001 0.000 0.243 347 K C -0.915 175.704 176.600 0.032 0.000 1.072 347 K CA -0.429 55.876 56.287 0.029 0.000 1.014 347 K CB 0.626 33.134 32.500 0.013 0.000 1.523 347 K HN 0.254 nan 8.250 nan 0.000 0.455 348 I N 1.614 122.242 120.570 0.097 0.000 2.315 348 I HA 0.010 4.180 4.170 -0.001 0.000 0.291 348 I C 0.458 176.628 176.117 0.088 0.000 1.006 348 I CA 0.659 62.023 61.300 0.107 0.000 1.265 348 I CB 1.337 39.482 38.000 0.242 0.000 1.387 348 I HN 0.641 nan 8.210 nan 0.000 0.475 349 S N 5.074 120.807 115.700 0.055 0.000 3.706 349 S HA -0.151 4.319 4.470 -0.001 0.000 0.363 349 S C 1.108 175.728 174.600 0.033 0.000 0.999 349 S CA 1.427 59.650 58.200 0.039 0.000 1.143 349 S CB -1.570 61.653 63.200 0.039 0.000 0.902 349 S HN 2.094 nan 8.310 nan 0.000 0.476 350 G N 0.710 109.527 108.800 0.029 0.000 3.444 350 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.222 350 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.222 350 G C -0.215 174.703 174.900 0.031 0.000 1.358 350 G CA 0.368 45.483 45.100 0.024 0.000 0.880 350 G HN 0.765 nan 8.290 nan 0.000 0.555 351 D N 1.841 122.264 120.400 0.038 0.000 2.372 351 D HA 0.493 5.133 4.640 -0.001 0.000 0.243 351 D C 0.745 177.085 176.300 0.066 0.000 1.121 351 D CA 0.854 54.880 54.000 0.044 0.000 0.898 351 D CB 1.408 42.232 40.800 0.039 0.000 1.202 351 D HN 0.694 nan 8.370 nan 0.000 0.428 352 S N 1.388 117.127 115.700 0.064 0.000 2.442 352 S HA 0.694 5.164 4.470 -0.001 0.000 0.297 352 S C -0.076 174.588 174.600 0.107 0.000 1.131 352 S CA -0.838 57.413 58.200 0.085 0.000 1.092 352 S CB 1.260 64.495 63.200 0.059 0.000 0.998 352 S HN 0.381 nan 8.310 nan 0.000 0.478 353 M N 2.379 122.084 119.600 0.174 0.000 2.691 353 M HA 0.522 5.002 4.480 -0.001 0.000 0.293 353 M C -1.133 175.323 176.300 0.261 0.000 1.259 353 M CA -0.743 54.660 55.300 0.172 0.000 0.827 353 M CB 2.200 34.865 32.600 0.109 0.000 1.753 353 M HN 0.581 nan 8.290 nan 0.000 0.465 354 I N 1.735 122.428 120.570 0.206 0.000 2.304 354 I HA 0.244 4.413 4.170 -0.001 0.000 0.291 354 I C -1.213 175.054 176.117 0.249 0.000 1.018 354 I CA -0.260 61.200 61.300 0.266 0.000 1.260 354 I CB 0.441 38.614 38.000 0.289 0.000 1.390 354 I HN 0.383 nan 8.210 nan 0.000 0.475 355 F N 6.346 126.340 119.950 0.072 0.000 2.375 355 F HA 0.239 4.765 4.527 -0.001 0.000 0.362 355 F C 0.318 176.157 175.800 0.065 0.000 1.129 355 F CA -0.496 57.534 58.000 0.050 0.000 1.154 355 F CB 0.984 40.004 39.000 0.033 0.000 1.205 355 F HN 0.070 nan 8.300 nan 0.000 0.513 356 V N 5.171 125.173 119.914 0.146 0.000 2.270 356 V HA 0.247 4.367 4.120 -0.001 0.000 0.263 356 V C -0.024 176.117 176.094 0.078 0.000 1.066 356 V CA -0.419 61.953 62.300 0.119 0.000 0.857 356 V CB -0.182 31.674 31.823 0.055 0.000 1.099 356 V HN 0.775 nan 8.190 nan 0.000 0.476 357 E N 2.460 122.726 120.200 0.110 0.000 2.428 357 E HA 0.627 4.977 4.350 -0.001 0.000 0.259 357 E C -0.578 176.062 176.600 0.066 0.000 0.930 357 E CA -1.048 55.405 56.400 0.087 0.000 0.823 357 E CB 1.315 31.096 29.700 0.135 0.000 1.403 357 E HN 0.321 nan 8.360 nan 0.000 0.415 358 E N -0.707 119.524 120.200 0.052 0.000 2.320 358 E HA -0.184 4.166 4.350 -0.001 0.000 0.234 358 E C -0.824 175.798 176.600 0.036 0.000 1.183 358 E CA 0.232 56.656 56.400 0.041 0.000 0.713 358 E CB -1.912 27.813 29.700 0.041 0.000 1.226 358 E HN 0.440 nan 8.360 nan 0.000 0.382 359 C N 0.622 119.939 119.300 0.030 0.000 2.520 359 C HA 0.197 4.657 4.460 -0.001 0.000 0.376 359 C C 1.978 176.990 174.990 0.036 0.000 1.268 359 C CA -0.837 58.199 59.018 0.031 0.000 2.414 359 C CB 1.132 28.883 27.740 0.019 0.000 2.521 359 C HN 0.382 nan 8.230 nan 0.000 0.618 360 K N 0.622 121.054 120.400 0.053 0.000 1.991 360 K HA -0.026 4.293 4.320 -0.001 0.000 0.208 360 K C 0.536 177.206 176.600 0.116 0.000 1.038 360 K CA 1.520 57.851 56.287 0.075 0.000 0.943 360 K CB -0.369 32.175 32.500 0.074 0.000 0.736 360 K HN 0.729 nan 8.250 nan 0.000 0.440 361 H N 1.436 120.508 119.070 0.004 0.000 2.530 361 H HA 0.273 4.829 4.556 -0.000 0.000 0.246 361 H C -2.628 172.699 175.328 -0.002 0.000 1.346 361 H CA -2.229 53.820 56.048 0.002 0.000 1.424 361 H CB 0.438 30.201 29.762 0.002 0.000 1.445 361 H HN -0.048 nan 8.280 nan 0.000 0.511 362 P HA 0.203 nan 4.420 nan 0.000 0.285 362 P C 0.257 177.451 177.300 -0.175 0.000 1.259 362 P CA -0.644 62.384 63.100 -0.121 0.000 0.794 362 P CB 1.430 33.078 31.700 -0.087 0.000 0.940 363 K N 0.601 120.938 120.400 -0.104 0.000 2.358 363 K HA 0.395 4.715 4.320 -0.001 0.000 0.200 363 K C 0.386 176.946 176.600 -0.066 0.000 1.030 363 K CA 0.042 56.277 56.287 -0.087 0.000 1.097 363 K CB 0.720 33.192 32.500 -0.047 0.000 0.862 363 K HN 0.518 nan 8.250 nan 0.000 0.534 364 A N 0.659 123.441 122.820 -0.064 0.000 2.401 364 A HA 0.715 5.035 4.320 -0.001 0.000 0.310 364 A C -0.992 176.555 177.584 -0.062 0.000 1.075 364 A CA -0.564 51.437 52.037 -0.060 0.000 0.746 364 A CB 1.854 20.818 19.000 -0.059 0.000 1.277 364 A HN -0.091 nan 8.150 nan 0.000 0.425 365 V N 0.888 120.767 119.914 -0.058 0.000 2.888 365 V HA 0.587 4.707 4.120 -0.001 0.000 0.309 365 V C -0.385 175.676 176.094 -0.054 0.000 1.114 365 V CA -0.411 61.857 62.300 -0.054 0.000 0.940 365 V CB 2.721 34.516 31.823 -0.048 0.000 1.021 365 V HN 0.990 nan 8.190 nan 0.000 0.426 366 T N 5.784 120.304 114.554 -0.056 0.000 2.794 366 T HA 0.510 4.860 4.350 -0.001 0.000 0.280 366 T C -0.334 174.338 174.700 -0.046 0.000 0.987 366 T CA -0.444 61.618 62.100 -0.064 0.000 0.993 366 T CB 0.964 69.775 68.868 -0.095 0.000 0.939 366 T HN 0.331 nan 8.240 nan 0.000 0.449 367 M N 3.847 123.422 119.600 -0.041 0.000 2.061 367 M HA 0.327 4.806 4.480 -0.001 0.000 0.346 367 M C -0.712 175.571 176.300 -0.028 0.000 1.112 367 M CA -1.047 54.237 55.300 -0.027 0.000 1.021 367 M CB 0.725 33.312 32.600 -0.022 0.000 1.530 367 M HN 0.424 nan 8.290 nan 0.000 0.437 368 L N 6.540 127.753 121.223 -0.017 0.000 2.302 368 L HA 0.422 4.761 4.340 -0.001 0.000 0.285 368 L C -0.621 176.251 176.870 0.003 0.000 1.090 368 L CA 0.265 55.099 54.840 -0.010 0.000 0.866 368 L CB -0.172 41.895 42.059 0.013 0.000 1.244 368 L HN 0.521 nan 8.230 nan 0.000 0.435 369 I N 5.658 126.225 120.570 -0.004 0.000 2.337 369 I HA 0.318 4.487 4.170 -0.001 0.000 0.291 369 I C 0.291 176.411 176.117 0.005 0.000 1.046 369 I CA -0.156 61.145 61.300 0.001 0.000 1.324 369 I CB 0.239 38.236 38.000 -0.004 0.000 1.409 369 I HN 0.541 nan 8.210 nan 0.000 0.494 370 R N 4.474 124.980 120.500 0.011 0.000 2.803 370 R HA 0.889 5.229 4.340 -0.001 0.000 0.276 370 R C -0.257 176.051 176.300 0.012 0.000 0.978 370 R CA -1.007 55.102 56.100 0.015 0.000 0.939 370 R CB 2.357 32.671 30.300 0.023 0.000 1.179 370 R HN 0.780 nan 8.270 nan 0.000 0.472 371 G N -0.786 108.021 108.800 0.012 0.000 2.506 371 G HA2 0.177 4.136 3.960 -0.001 0.000 0.292 371 G HA3 0.177 4.136 3.960 -0.001 0.000 0.292 371 G C 0.373 175.281 174.900 0.013 0.000 1.425 371 G CA -0.259 44.849 45.100 0.013 0.000 0.788 371 G HN 0.497 nan 8.290 nan 0.000 0.490 372 T N -2.576 111.987 114.554 0.015 0.000 2.812 372 T HA 0.188 4.538 4.350 -0.001 0.000 0.264 372 T C 1.359 176.069 174.700 0.017 0.000 1.042 372 T CA 2.039 64.149 62.100 0.016 0.000 1.140 372 T CB -0.386 68.492 68.868 0.017 0.000 0.870 372 T HN 1.399 nan 8.240 nan 0.000 0.445 373 T N -1.327 113.240 114.554 0.022 0.000 2.924 373 T HA 0.570 4.920 4.350 -0.001 0.000 0.291 373 T C 0.602 175.306 174.700 0.007 0.000 1.045 373 T CA -0.683 61.432 62.100 0.026 0.000 1.015 373 T CB 2.463 71.364 68.868 0.056 0.000 1.103 373 T HN -0.025 nan 8.240 nan 0.000 0.496 374 E N 0.210 120.387 120.200 -0.038 0.000 2.153 374 E HA -0.120 4.230 4.350 -0.001 0.000 0.194 374 E C 1.501 178.015 176.600 -0.143 0.000 0.988 374 E CA 1.652 57.982 56.400 -0.117 0.000 0.811 374 E CB -0.424 29.163 29.700 -0.189 0.000 0.746 374 E HN 0.875 nan 8.360 nan 0.000 0.466 375 H N -1.632 117.441 119.070 0.005 0.000 2.462 375 H HA 0.035 4.591 4.556 -0.000 0.000 0.292 375 H C 1.876 177.207 175.328 0.004 0.000 1.049 375 H CA 1.029 57.080 56.048 0.004 0.000 1.334 375 H CB 0.369 30.134 29.762 0.004 0.000 1.404 375 H HN 0.016 nan 8.280 nan 0.000 0.544 376 V N 0.438 120.415 119.914 0.105 0.000 2.379 376 V HA -0.197 3.922 4.120 -0.001 0.000 0.245 376 V C 2.211 178.327 176.094 0.037 0.000 1.044 376 V CA 1.508 63.845 62.300 0.062 0.000 1.036 376 V CB -0.323 31.527 31.823 0.045 0.000 0.664 376 V HN 0.395 nan 8.190 nan 0.000 0.453 377 I N -0.052 120.530 120.570 0.020 0.000 2.163 377 I HA -0.284 3.885 4.170 -0.001 0.000 0.243 377 I C 2.603 178.724 176.117 0.005 0.000 1.085 377 I CA 1.934 63.237 61.300 0.006 0.000 1.347 377 I CB -0.317 37.677 38.000 -0.010 0.000 1.044 377 I HN 0.384 nan 8.210 nan 0.000 0.408 378 E N 0.448 120.650 120.200 0.004 0.000 2.204 378 E HA -0.285 4.065 4.350 -0.001 0.000 0.195 378 E C 1.945 178.560 176.600 0.024 0.000 0.990 378 E CA 1.176 57.581 56.400 0.007 0.000 0.821 378 E CB 0.167 29.869 29.700 0.003 0.000 0.750 378 E HN 0.350 nan 8.360 nan 0.000 0.477 379 E N -0.316 119.906 120.200 0.037 0.000 2.122 379 E HA -0.080 4.270 4.350 -0.001 0.000 0.190 379 E C 1.859 178.472 176.600 0.022 0.000 0.977 379 E CA 0.651 57.071 56.400 0.033 0.000 0.820 379 E CB 0.081 29.805 29.700 0.039 0.000 0.770 379 E HN 0.059 nan 8.360 nan 0.000 0.462 380 V N 0.899 120.825 119.914 0.019 0.000 2.515 380 V HA -0.198 3.922 4.120 -0.001 0.000 0.250 380 V C 2.315 178.414 176.094 0.009 0.000 1.058 380 V CA 1.589 63.897 62.300 0.014 0.000 1.064 380 V CB -0.776 31.055 31.823 0.013 0.000 0.675 380 V HN 0.445 nan 8.190 nan 0.000 0.461 381 A N -0.013 122.812 122.820 0.007 0.000 1.902 381 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 381 A C 2.381 179.967 177.584 0.003 0.000 1.181 381 A CA 1.646 53.684 52.037 0.002 0.000 0.623 381 A CB -0.461 18.537 19.000 -0.003 0.000 0.818 381 A HN 0.484 nan 8.150 nan 0.000 0.443 382 R N -0.745 119.759 120.500 0.008 0.000 2.148 382 R HA 0.009 4.348 4.340 -0.001 0.000 0.227 382 R C 2.246 178.551 176.300 0.008 0.000 1.103 382 R CA 0.906 57.011 56.100 0.008 0.000 0.983 382 R CB -0.290 30.017 30.300 0.012 0.000 0.874 382 R HN 0.518 nan 8.270 nan 0.000 0.451 383 A N 0.257 123.083 122.820 0.009 0.000 2.067 383 A HA -0.023 4.297 4.320 -0.001 0.000 0.217 383 A C 2.092 179.680 177.584 0.007 0.000 1.156 383 A CA 0.752 52.795 52.037 0.010 0.000 0.683 383 A CB 0.091 19.099 19.000 0.013 0.000 0.808 383 A HN 0.092 nan 8.150 nan 0.000 0.455 384 V N -0.048 119.868 119.914 0.004 0.000 2.649 384 V HA -0.118 4.002 4.120 -0.001 0.000 0.248 384 V C 1.886 177.979 176.094 -0.002 0.000 1.054 384 V CA 1.660 63.960 62.300 0.001 0.000 1.073 384 V CB -0.447 31.375 31.823 -0.002 0.000 0.699 384 V HN 0.459 nan 8.190 nan 0.000 0.463 385 D N 0.381 120.781 120.400 -0.001 0.000 2.178 385 D HA -0.152 4.488 4.640 -0.001 0.000 0.202 385 D C 1.694 177.993 176.300 -0.001 0.000 0.974 385 D CA 1.363 55.362 54.000 -0.003 0.000 0.841 385 D CB 0.028 40.826 40.800 -0.002 0.000 0.953 385 D HN 0.439 nan 8.370 nan 0.000 0.478 386 D N 0.286 120.687 120.400 0.001 0.000 2.137 386 D HA -0.015 4.625 4.640 -0.001 0.000 0.202 386 D C 2.026 178.328 176.300 0.003 0.000 0.970 386 D CA 1.054 55.056 54.000 0.003 0.000 0.837 386 D CB -0.252 40.551 40.800 0.005 0.000 0.981 386 D HN 0.078 nan 8.370 nan 0.000 0.475 387 A N 0.372 123.194 122.820 0.003 0.000 1.933 387 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 387 A C 2.350 179.933 177.584 -0.000 0.000 1.175 387 A CA 1.034 53.072 52.037 0.003 0.000 0.628 387 A CB -0.672 18.330 19.000 0.003 0.000 0.814 387 A HN 0.147 nan 8.150 nan 0.000 0.444 388 V N -0.225 119.687 119.914 -0.003 0.000 2.427 388 V HA -0.133 3.986 4.120 -0.001 0.000 0.248 388 V C 2.766 178.857 176.094 -0.005 0.000 1.051 388 V CA 1.730 64.027 62.300 -0.006 0.000 1.048 388 V CB -1.229 30.589 31.823 -0.008 0.000 0.666 388 V HN 0.609 nan 8.190 nan 0.000 0.456 389 G N 0.657 109.455 108.800 -0.003 0.000 2.421 389 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.216 389 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.216 389 G C 1.709 176.609 174.900 -0.001 0.000 1.171 389 G CA 1.567 46.666 45.100 -0.002 0.000 0.775 389 G HN 0.563 nan 8.290 nan 0.000 0.543 390 V N -1.279 118.635 119.914 0.000 0.000 2.548 390 V HA -0.028 4.092 4.120 -0.001 0.000 0.249 390 V C 2.672 178.766 176.094 0.001 0.000 1.055 390 V CA 1.346 63.647 62.300 0.002 0.000 1.065 390 V CB -0.561 31.265 31.823 0.004 0.000 0.681 390 V HN 0.134 nan 8.190 nan 0.000 0.462 391 V N 2.011 121.925 119.914 -0.000 0.000 2.427 391 V HA -0.033 4.086 4.120 -0.001 0.000 0.248 391 V C 2.903 178.996 176.094 -0.003 0.000 1.051 391 V CA 2.151 64.451 62.300 -0.001 0.000 1.048 391 V CB -1.373 30.449 31.823 -0.003 0.000 0.666 391 V HN 0.620 nan 8.190 nan 0.000 0.456 392 G N -1.322 107.476 108.800 -0.004 0.000 2.422 392 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.218 392 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.218 392 G C 1.671 176.570 174.900 -0.003 0.000 1.146 392 G CA 1.265 46.362 45.100 -0.005 0.000 0.769 392 G HN 0.539 nan 8.290 nan 0.000 0.547 393 C N 0.577 119.876 119.300 -0.002 0.000 2.446 393 C HA 0.056 4.516 4.460 -0.001 0.000 0.279 393 C C 3.146 178.136 174.990 0.000 0.000 1.366 393 C CA 1.442 60.460 59.018 -0.000 0.000 1.763 393 C CB -0.755 26.985 27.740 0.000 0.000 1.929 393 C HN 0.435 nan 8.230 nan 0.000 0.509 394 T N 0.969 115.523 114.554 0.000 0.000 2.937 394 T HA 0.062 4.412 4.350 -0.001 0.000 0.260 394 T C 1.644 176.344 174.700 0.000 0.000 1.051 394 T CA 0.869 62.969 62.100 0.001 0.000 1.141 394 T CB -0.140 68.729 68.868 0.001 0.000 0.879 394 T HN 0.447 nan 8.240 nan 0.000 0.459 395 I N 1.189 121.759 120.570 -0.001 0.000 2.226 395 I HA -0.161 4.008 4.170 -0.001 0.000 0.245 395 I C 2.600 178.717 176.117 -0.000 0.000 1.100 395 I CA 1.421 62.721 61.300 -0.001 0.000 1.374 395 I CB -0.295 37.703 38.000 -0.002 0.000 1.057 395 I HN 0.319 nan 8.210 nan 0.000 0.413 396 E N 0.572 120.771 120.200 -0.001 0.000 2.028 396 E HA -0.176 4.174 4.350 -0.001 0.000 0.190 396 E C 1.714 178.314 176.600 -0.000 0.000 0.984 396 E CA 1.209 57.609 56.400 -0.001 0.000 0.800 396 E CB -0.023 29.677 29.700 -0.001 0.000 0.758 396 E HN 0.444 nan 8.360 nan 0.000 0.448 397 D N -0.651 119.749 120.400 -0.000 0.000 2.091 397 D HA -0.044 4.596 4.640 -0.001 0.000 0.199 397 D C 1.410 177.710 176.300 0.000 0.000 0.980 397 D CA 1.429 55.429 54.000 0.000 0.000 0.831 397 D CB -0.196 40.604 40.800 0.000 0.000 0.987 397 D HN 0.349 nan 8.370 nan 0.000 0.460 398 G N 0.677 109.477 108.800 0.001 0.000 2.143 398 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.248 398 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.248 398 G C 0.245 175.145 174.900 0.001 0.000 0.991 398 G CA 0.122 45.222 45.100 0.001 0.000 0.689 398 G HN 0.315 nan 8.290 nan 0.000 0.522 399 R N -0.148 120.352 120.500 0.001 0.000 2.575 399 R HA 0.711 5.051 4.340 -0.001 0.000 0.293 399 R C 0.325 176.627 176.300 0.002 0.000 0.983 399 R CA -0.651 55.449 56.100 0.001 0.000 0.887 399 R CB 1.622 31.923 30.300 0.000 0.000 1.184 399 R HN 0.528 nan 8.270 nan 0.000 0.445 400 I N -0.367 120.205 120.570 0.003 0.000 3.002 400 I HA 0.796 4.966 4.170 -0.001 0.000 0.310 400 I C -0.443 175.678 176.117 0.007 0.000 1.087 400 I CA -1.170 60.133 61.300 0.005 0.000 1.017 400 I CB 2.172 40.175 38.000 0.006 0.000 1.226 400 I HN 0.377 nan 8.210 nan 0.000 0.443 401 V N 0.374 120.294 119.914 0.009 0.000 3.126 401 V HA 0.733 4.853 4.120 -0.001 0.000 0.314 401 V C 0.131 176.235 176.094 0.017 0.000 1.138 401 V CA -0.516 61.792 62.300 0.013 0.000 1.034 401 V CB 1.234 33.065 31.823 0.014 0.000 1.075 401 V HN 1.000 nan 8.190 nan 0.000 0.442 402 S N 0.842 116.556 115.700 0.022 0.000 2.584 402 S HA 0.788 5.257 4.470 -0.001 0.000 0.273 402 S C 0.355 174.973 174.600 0.029 0.000 1.311 402 S CA 0.093 58.309 58.200 0.027 0.000 1.034 402 S CB 1.033 64.252 63.200 0.032 0.000 0.939 402 S HN 1.713 nan 8.310 nan 0.000 0.513 403 G N -0.107 108.710 108.800 0.028 0.000 2.702 403 G HA2 0.562 4.521 3.960 -0.001 0.000 0.254 403 G HA3 0.562 4.521 3.960 -0.001 0.000 0.254 403 G C 0.823 175.737 174.900 0.024 0.000 1.380 403 G CA -0.641 44.473 45.100 0.023 0.000 1.042 403 G HN 2.019 nan 8.290 nan 0.000 0.557 404 G N -2.013 106.795 108.800 0.013 0.000 2.198 404 G HA2 0.255 4.215 3.960 -0.001 0.000 0.260 404 G HA3 0.255 4.215 3.960 -0.001 0.000 0.260 404 G C 1.402 176.299 174.900 -0.004 0.000 1.025 404 G CA 1.102 46.203 45.100 0.002 0.000 0.769 404 G HN 2.493 nan 8.290 nan 0.000 0.507 405 G N -1.513 107.283 108.800 -0.008 0.000 2.153 405 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.252 405 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.252 405 G C 1.337 176.227 174.900 -0.016 0.000 0.994 405 G CA 1.643 46.730 45.100 -0.021 0.000 0.698 405 G HN 1.839 nan 8.290 nan 0.000 0.521 406 S N -0.352 115.361 115.700 0.022 0.000 2.357 406 S HA -0.060 4.409 4.470 -0.001 0.000 0.221 406 S C 2.638 177.289 174.600 0.085 0.000 1.031 406 S CA 2.373 60.620 58.200 0.079 0.000 0.982 406 S CB -0.338 62.928 63.200 0.110 0.000 0.853 406 S HN 1.246 nan 8.310 nan 0.000 0.458 407 T N -1.114 113.474 114.554 0.058 0.000 3.160 407 T HA 0.184 4.534 4.350 -0.001 0.000 0.257 407 T C 1.203 175.912 174.700 0.015 0.000 1.147 407 T CA 0.732 62.864 62.100 0.053 0.000 1.064 407 T CB -0.183 68.708 68.868 0.038 0.000 0.949 407 T HN 0.308 nan 8.240 nan 0.000 0.526 408 E N 0.811 121.001 120.200 -0.017 0.000 2.102 408 E HA 0.111 4.460 4.350 -0.001 0.000 0.190 408 E C 2.245 178.800 176.600 -0.075 0.000 0.971 408 E CA 0.358 56.734 56.400 -0.040 0.000 0.821 408 E CB -0.293 29.376 29.700 -0.052 0.000 0.777 408 E HN 0.303 nan 8.360 nan 0.000 0.460 409 V N 1.045 120.872 119.914 -0.146 0.000 2.307 409 V HA -0.243 3.876 4.120 -0.001 0.000 0.245 409 V C 2.310 178.253 176.094 -0.252 0.000 1.045 409 V CA 2.042 64.178 62.300 -0.273 0.000 1.024 409 V CB -0.371 31.138 31.823 -0.523 0.000 0.651 409 V HN 0.232 nan 8.190 nan 0.000 0.449 410 E N 0.318 120.421 120.200 -0.161 0.000 2.077 410 E HA -0.241 4.109 4.350 -0.001 0.000 0.193 410 E C 1.952 178.582 176.600 0.051 0.000 0.989 410 E CA 1.473 57.933 56.400 0.100 0.000 0.800 410 E CB -0.410 29.441 29.700 0.252 0.000 0.746 410 E HN 0.406 nan 8.360 nan 0.000 0.452 411 L N 0.049 121.287 121.223 0.025 0.000 2.141 411 L HA -0.047 4.292 4.340 -0.001 0.000 0.209 411 L C 2.368 179.255 176.870 0.028 0.000 1.094 411 L CA 1.826 56.681 54.840 0.025 0.000 0.763 411 L CB -0.819 41.254 42.059 0.024 0.000 0.908 411 L HN 0.191 nan 8.230 nan 0.000 0.437 412 S N -0.393 115.310 115.700 0.005 0.000 2.355 412 S HA -0.243 4.227 4.470 -0.001 0.000 0.222 412 S C 2.131 176.747 174.600 0.027 0.000 1.031 412 S CA 1.701 59.908 58.200 0.012 0.000 0.993 412 S CB -0.318 62.865 63.200 -0.028 0.000 0.859 412 S HN 0.621 nan 8.310 nan 0.000 0.453 413 M N -0.329 119.279 119.600 0.013 0.000 2.319 413 M HA 0.116 4.595 4.480 -0.001 0.000 0.265 413 M C 1.668 178.000 176.300 0.054 0.000 1.068 413 M CA 1.352 56.670 55.300 0.031 0.000 1.118 413 M CB -0.190 32.428 32.600 0.030 0.000 1.395 413 M HN -0.004 nan 8.290 nan 0.000 0.435 414 K N 1.120 121.553 120.400 0.055 0.000 2.228 414 K HA 0.150 4.469 4.320 -0.001 0.000 0.202 414 K C 1.965 178.617 176.600 0.086 0.000 1.051 414 K CA 0.932 57.256 56.287 0.060 0.000 0.960 414 K CB -0.203 32.320 32.500 0.037 0.000 0.743 414 K HN 0.486 nan 8.250 nan 0.000 0.458 415 L N 0.207 121.483 121.223 0.088 0.000 2.240 415 L HA -0.039 4.301 4.340 -0.001 0.000 0.211 415 L C 2.448 179.427 176.870 0.182 0.000 1.106 415 L CA 0.728 55.655 54.840 0.146 0.000 0.793 415 L CB -0.136 42.000 42.059 0.128 0.000 0.927 415 L HN 0.084 nan 8.230 nan 0.000 0.446 416 R N 0.249 120.820 120.500 0.117 0.000 2.115 416 R HA -0.128 4.211 4.340 -0.001 0.000 0.226 416 R C 1.962 178.309 176.300 0.078 0.000 1.100 416 R CA 1.319 57.472 56.100 0.089 0.000 0.980 416 R CB 0.050 30.386 30.300 0.060 0.000 0.875 416 R HN 0.541 nan 8.270 nan 0.000 0.445 417 E N -0.857 119.398 120.200 0.091 0.000 2.385 417 E HA -0.151 4.199 4.350 -0.001 0.000 0.194 417 E C 1.409 178.070 176.600 0.102 0.000 1.013 417 E CA 0.366 56.811 56.400 0.075 0.000 0.866 417 E CB -0.216 29.524 29.700 0.066 0.000 0.832 417 E HN 0.354 nan 8.360 nan 0.000 0.500 418 Y N 1.879 122.184 120.300 0.008 0.000 2.337 418 Y HA 0.142 4.691 4.550 -0.000 0.000 0.293 418 Y C 2.352 178.253 175.900 0.002 0.000 1.123 418 Y CA 1.035 59.136 58.100 0.001 0.000 1.201 418 Y CB -0.191 38.265 38.460 -0.006 0.000 1.011 418 Y HN 0.119 nan 8.280 nan 0.000 0.545 419 A N 0.451 123.224 122.820 -0.078 0.000 1.969 419 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 419 A C 2.007 179.508 177.584 -0.139 0.000 1.169 419 A CA 1.622 53.569 52.037 -0.150 0.000 0.635 419 A CB -0.608 18.389 19.000 -0.005 0.000 0.810 419 A HN 0.620 nan 8.150 nan 0.000 0.445 420 E N -0.547 119.607 120.200 -0.077 0.000 2.204 420 E HA -0.117 4.233 4.350 -0.001 0.000 0.195 420 E C 1.582 178.130 176.600 -0.086 0.000 0.990 420 E CA 0.685 57.050 56.400 -0.058 0.000 0.821 420 E CB -0.249 29.438 29.700 -0.023 0.000 0.750 420 E HN 0.591 nan 8.360 nan 0.000 0.477 421 G N 0.723 109.440 108.800 -0.138 0.000 3.383 421 G HA2 0.198 4.157 3.960 -0.001 0.000 0.251 421 G HA3 0.198 4.157 3.960 -0.001 0.000 0.251 421 G C 0.247 175.031 174.900 -0.194 0.000 1.203 421 G CA -0.231 44.783 45.100 -0.142 0.000 0.852 421 G HN 0.012 nan 8.290 nan 0.000 0.531 422 I N 1.701 122.151 120.570 -0.200 0.000 2.418 422 I HA 0.254 4.424 4.170 -0.001 0.000 0.287 422 I C -0.111 175.946 176.117 -0.100 0.000 1.008 422 I CA -0.742 60.451 61.300 -0.178 0.000 1.104 422 I CB 2.211 40.072 38.000 -0.232 0.000 1.264 422 I HN 0.061 nan 8.210 nan 0.000 0.438 423 S N 4.256 119.912 115.700 -0.073 0.000 2.578 423 S HA 0.945 5.414 4.470 -0.001 0.000 0.283 423 S C 0.145 174.723 174.600 -0.038 0.000 1.195 423 S CA -0.149 58.023 58.200 -0.047 0.000 1.050 423 S CB 1.856 65.034 63.200 -0.037 0.000 1.012 423 S HN 1.226 nan 8.310 nan 0.000 0.511 424 G N 1.360 110.144 108.800 -0.027 0.000 2.462 424 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.685 424 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.685 424 G C -0.118 174.774 174.900 -0.014 0.000 1.295 424 G CA -0.510 44.578 45.100 -0.020 0.000 0.941 424 G HN 0.707 nan 8.290 nan 0.000 0.554 425 R N 0.299 120.795 120.500 -0.007 0.000 2.275 425 R HA 0.101 4.440 4.340 -0.001 0.000 0.199 425 R C 2.495 178.800 176.300 0.008 0.000 0.989 425 R CA 1.413 57.514 56.100 0.002 0.000 1.016 425 R CB -0.139 30.165 30.300 0.006 0.000 0.918 425 R HN 0.754 nan 8.270 nan 0.000 0.473 426 E N 0.207 120.409 120.200 0.003 0.000 2.265 426 E HA -0.296 4.053 4.350 -0.001 0.000 0.196 426 E C 1.690 178.305 176.600 0.024 0.000 0.996 426 E CA 0.869 57.277 56.400 0.015 0.000 0.832 426 E CB -0.230 29.474 29.700 0.007 0.000 0.756 426 E HN 0.362 nan 8.360 nan 0.000 0.491 427 Q N 1.295 121.096 119.800 0.002 0.000 2.152 427 Q HA -0.180 4.159 4.340 -0.001 0.000 0.206 427 Q C 2.179 178.200 176.000 0.034 0.000 0.985 427 Q CA 1.333 57.134 55.803 -0.004 0.000 0.863 427 Q CB -0.108 28.615 28.738 -0.024 0.000 0.904 427 Q HN 0.453 nan 8.270 nan 0.000 0.422 428 L N -0.157 121.091 121.223 0.042 0.000 2.291 428 L HA -0.068 4.272 4.340 -0.001 0.000 0.214 428 L C 2.368 179.304 176.870 0.110 0.000 1.120 428 L CA 0.691 55.567 54.840 0.060 0.000 0.799 428 L CB -0.355 41.729 42.059 0.042 0.000 0.925 428 L HN 0.256 nan 8.230 nan 0.000 0.446 429 A N -0.600 122.299 122.820 0.132 0.000 1.984 429 A HA -0.010 4.310 4.320 -0.001 0.000 0.214 429 A C 2.242 180.053 177.584 0.379 0.000 1.173 429 A CA 0.654 52.843 52.037 0.252 0.000 0.673 429 A CB -0.329 18.770 19.000 0.166 0.000 0.830 429 A HN 0.142 nan 8.150 nan 0.000 0.453 430 V N 0.346 120.397 119.914 0.228 0.000 2.358 430 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 430 V C 2.534 178.747 176.094 0.198 0.000 1.047 430 V CA 2.079 64.496 62.300 0.195 0.000 1.035 430 V CB -0.861 31.033 31.823 0.118 0.000 0.658 430 V HN 0.505 nan 8.190 nan 0.000 0.452 431 R N 0.385 120.973 120.500 0.146 0.000 2.120 431 R HA -0.090 4.250 4.340 -0.001 0.000 0.234 431 R C 2.407 178.788 176.300 0.136 0.000 1.123 431 R CA 1.394 57.565 56.100 0.119 0.000 0.975 431 R CB -0.540 29.807 30.300 0.078 0.000 0.866 431 R HN 0.543 nan 8.270 nan 0.000 0.446 432 A N 0.555 123.486 122.820 0.186 0.000 1.898 432 A HA -0.153 4.167 4.320 -0.001 0.000 0.216 432 A C 1.934 179.596 177.584 0.129 0.000 1.181 432 A CA 0.868 53.017 52.037 0.187 0.000 0.620 432 A CB -0.543 18.634 19.000 0.296 0.000 0.819 432 A HN 0.327 nan 8.150 nan 0.000 0.442 433 F N 0.778 120.716 119.950 -0.019 0.000 2.134 433 F HA -0.076 4.450 4.527 -0.001 0.000 0.299 433 F C 2.576 178.307 175.800 -0.115 0.000 1.097 433 F CA 1.283 59.147 58.000 -0.227 0.000 1.264 433 F CB -0.176 38.658 39.000 -0.276 0.000 1.001 433 F HN 0.263 nan 8.300 nan 0.000 0.479 434 A N -0.074 122.879 122.820 0.221 0.000 1.877 434 A HA -0.216 4.103 4.320 -0.001 0.000 0.216 434 A C 1.852 179.446 177.584 0.017 0.000 1.186 434 A CA 2.068 54.184 52.037 0.132 0.000 0.620 434 A CB -0.978 18.097 19.000 0.125 0.000 0.822 434 A HN 0.411 nan 8.150 nan 0.000 0.443 435 D N -0.096 120.309 120.400 0.009 0.000 2.264 435 D HA 0.052 4.691 4.640 -0.001 0.000 0.208 435 D C 2.027 178.287 176.300 -0.067 0.000 0.966 435 D CA 1.163 55.152 54.000 -0.020 0.000 0.864 435 D CB -0.262 40.539 40.800 0.002 0.000 0.933 435 D HN 0.450 nan 8.370 nan 0.000 0.499 436 A N 0.374 123.118 122.820 -0.128 0.000 1.968 436 A HA -0.038 4.282 4.320 -0.001 0.000 0.217 436 A C 2.236 179.702 177.584 -0.197 0.000 1.169 436 A CA 0.495 52.418 52.037 -0.191 0.000 0.638 436 A CB -0.581 18.222 19.000 -0.328 0.000 0.812 436 A HN 0.197 nan 8.150 nan 0.000 0.446 437 L N -0.462 120.640 121.223 -0.202 0.000 2.191 437 L HA -0.161 4.179 4.340 -0.001 0.000 0.212 437 L C 2.006 178.815 176.870 -0.103 0.000 1.103 437 L CA 1.116 55.865 54.840 -0.153 0.000 0.769 437 L CB -0.433 41.566 42.059 -0.100 0.000 0.908 437 L HN 0.451 nan 8.230 nan 0.000 0.438 438 E N -0.628 119.519 120.200 -0.088 0.000 2.526 438 E HA -0.127 4.222 4.350 -0.001 0.000 0.198 438 E C 1.923 178.481 176.600 -0.071 0.000 1.091 438 E CA 0.055 56.410 56.400 -0.075 0.000 0.880 438 E CB 0.202 29.864 29.700 -0.063 0.000 0.873 438 E HN 0.263 nan 8.360 nan 0.000 0.527 439 V N 0.708 120.575 119.914 -0.079 0.000 2.871 439 V HA -0.158 3.961 4.120 -0.001 0.000 0.256 439 V C 1.587 177.643 176.094 -0.064 0.000 1.082 439 V CA 0.850 63.108 62.300 -0.070 0.000 1.105 439 V CB -0.101 31.675 31.823 -0.078 0.000 0.713 439 V HN 0.265 nan 8.190 nan 0.000 0.473 440 I N 1.012 121.543 120.570 -0.066 0.000 2.277 440 I HA 0.017 4.187 4.170 -0.001 0.000 0.243 440 I C 0.027 176.112 176.117 -0.053 0.000 1.094 440 I CA 1.160 62.426 61.300 -0.056 0.000 1.393 440 I CB -2.657 35.311 38.000 -0.053 0.000 1.078 440 I HN 0.342 nan 8.210 nan 0.000 0.417 441 P HA -0.106 nan 4.420 nan 0.000 0.218 441 P C 1.861 179.131 177.300 -0.051 0.000 1.149 441 P CA 1.373 64.441 63.100 -0.054 0.000 0.817 441 P CB -0.064 31.599 31.700 -0.063 0.000 0.785 442 R N -0.182 120.287 120.500 -0.051 0.000 2.062 442 R HA -0.076 4.264 4.340 -0.001 0.000 0.229 442 R C 2.097 178.370 176.300 -0.046 0.000 1.128 442 R CA 2.132 58.204 56.100 -0.046 0.000 0.960 442 R CB -0.879 29.394 30.300 -0.045 0.000 0.855 442 R HN 0.216 nan 8.270 nan 0.000 0.432 443 T N -1.366 113.160 114.554 -0.047 0.000 3.072 443 T HA 0.000 4.350 4.350 -0.001 0.000 0.266 443 T C 1.835 176.505 174.700 -0.050 0.000 1.127 443 T CA 0.588 62.660 62.100 -0.046 0.000 1.107 443 T CB -0.099 68.742 68.868 -0.044 0.000 0.910 443 T HN 0.155 nan 8.240 nan 0.000 0.513 444 L N 0.318 121.509 121.223 -0.055 0.000 2.109 444 L HA 0.167 4.507 4.340 -0.001 0.000 0.207 444 L C 3.212 180.038 176.870 -0.073 0.000 1.086 444 L CA 1.057 55.858 54.840 -0.066 0.000 0.760 444 L CB -0.583 41.436 42.059 -0.066 0.000 0.910 444 L HN 0.391 nan 8.230 nan 0.000 0.437 445 A N -0.109 122.675 122.820 -0.061 0.000 1.898 445 A HA -0.159 4.161 4.320 -0.001 0.000 0.214 445 A C 2.111 179.665 177.584 -0.051 0.000 1.183 445 A CA 1.094 53.096 52.037 -0.057 0.000 0.622 445 A CB -0.320 18.652 19.000 -0.046 0.000 0.824 445 A HN 0.367 nan 8.150 nan 0.000 0.444 446 E N 0.367 120.540 120.200 -0.045 0.000 2.049 446 E HA -0.212 4.137 4.350 -0.001 0.000 0.198 446 E C 1.574 178.149 176.600 -0.041 0.000 1.007 446 E CA 1.420 57.797 56.400 -0.039 0.000 0.809 446 E CB -0.247 29.431 29.700 -0.036 0.000 0.749 446 E HN 0.536 nan 8.360 nan 0.000 0.450 447 N N 0.315 118.986 118.700 -0.048 0.000 2.381 447 N HA -0.077 4.662 4.740 -0.001 0.000 0.182 447 N C 1.467 176.943 175.510 -0.057 0.000 1.025 447 N CA 0.983 54.004 53.050 -0.048 0.000 0.888 447 N CB -0.077 38.380 38.487 -0.049 0.000 0.965 447 N HN 0.124 nan 8.380 nan 0.000 0.438 448 A N -0.019 122.758 122.820 -0.071 0.000 2.067 448 A HA 0.320 4.639 4.320 -0.001 0.000 0.217 448 A C 1.779 179.329 177.584 -0.058 0.000 1.156 448 A CA 1.476 53.461 52.037 -0.086 0.000 0.683 448 A CB -0.254 18.678 19.000 -0.112 0.000 0.808 448 A HN 0.343 nan 8.150 nan 0.000 0.455 449 G N -2.177 106.596 108.800 -0.045 0.000 2.232 449 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.226 449 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.226 449 G C 0.165 175.048 174.900 -0.029 0.000 0.996 449 G CA 0.152 45.233 45.100 -0.031 0.000 0.626 449 G HN 0.379 nan 8.290 nan 0.000 0.509 450 L N 1.287 122.489 121.223 -0.035 0.000 2.468 450 L HA 0.495 4.835 4.340 -0.001 0.000 0.253 450 L C 0.736 177.590 176.870 -0.026 0.000 1.237 450 L CA 0.005 54.828 54.840 -0.029 0.000 0.823 450 L CB 0.322 42.360 42.059 -0.034 0.000 1.124 450 L HN 0.163 nan 8.230 nan 0.000 0.504 451 D N -0.042 120.345 120.400 -0.021 0.000 2.336 451 D HA 0.264 4.903 4.640 -0.001 0.000 0.249 451 D C 0.595 176.882 176.300 -0.022 0.000 1.213 451 D CA 0.260 54.248 54.000 -0.019 0.000 0.870 451 D CB 1.461 42.252 40.800 -0.014 0.000 1.076 451 D HN 0.554 nan 8.370 nan 0.000 0.483 452 A N 4.292 127.098 122.820 -0.024 0.000 1.969 452 A HA -0.107 4.213 4.320 -0.001 0.000 0.218 452 A C 2.105 179.674 177.584 -0.025 0.000 1.169 452 A CA 0.893 52.913 52.037 -0.028 0.000 0.635 452 A CB -0.388 18.594 19.000 -0.030 0.000 0.810 452 A HN 0.739 nan 8.150 nan 0.000 0.445 453 I N -0.959 119.599 120.570 -0.021 0.000 2.333 453 I HA -0.140 4.030 4.170 -0.001 0.000 0.246 453 I C 2.424 178.532 176.117 -0.015 0.000 1.106 453 I CA 1.552 62.841 61.300 -0.018 0.000 1.411 453 I CB -0.375 37.616 38.000 -0.015 0.000 1.082 453 I HN 0.320 nan 8.210 nan 0.000 0.420 454 E N 1.965 122.157 120.200 -0.013 0.000 2.051 454 E HA -0.168 4.181 4.350 -0.001 0.000 0.192 454 E C 2.124 178.719 176.600 -0.010 0.000 0.991 454 E CA 1.556 57.950 56.400 -0.010 0.000 0.799 454 E CB -0.222 29.474 29.700 -0.008 0.000 0.748 454 E HN 0.432 nan 8.360 nan 0.000 0.449 455 I N 0.003 120.565 120.570 -0.013 0.000 2.252 455 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 455 I C 2.148 178.256 176.117 -0.016 0.000 1.102 455 I CA 0.537 61.830 61.300 -0.013 0.000 1.385 455 I CB -0.192 37.797 38.000 -0.019 0.000 1.064 455 I HN 0.212 nan 8.210 nan 0.000 0.414 456 L N 0.237 121.447 121.223 -0.023 0.000 2.261 456 L HA -0.152 4.187 4.340 -0.001 0.000 0.216 456 L C 2.090 178.944 176.870 -0.026 0.000 1.114 456 L CA 1.543 56.365 54.840 -0.031 0.000 0.777 456 L CB -0.268 41.770 42.059 -0.034 0.000 0.910 456 L HN -0.003 nan 8.230 nan 0.000 0.440 457 V N -1.472 118.433 119.914 -0.014 0.000 2.725 457 V HA -0.122 3.997 4.120 -0.001 0.000 0.247 457 V C 2.328 178.424 176.094 0.004 0.000 1.058 457 V CA 1.078 63.374 62.300 -0.007 0.000 1.080 457 V CB -0.346 31.475 31.823 -0.004 0.000 0.713 457 V HN 0.370 nan 8.190 nan 0.000 0.465 458 K N -0.122 120.282 120.400 0.006 0.000 2.155 458 K HA -0.053 4.266 4.320 -0.001 0.000 0.203 458 K C 1.986 178.606 176.600 0.034 0.000 1.052 458 K CA 1.019 57.316 56.287 0.017 0.000 0.948 458 K CB -0.095 32.414 32.500 0.014 0.000 0.728 458 K HN 0.314 nan 8.250 nan 0.000 0.448 459 V N 0.890 120.819 119.914 0.025 0.000 2.649 459 V HA -0.105 4.015 4.120 -0.001 0.000 0.248 459 V C 2.252 178.376 176.094 0.049 0.000 1.054 459 V CA 1.178 63.509 62.300 0.052 0.000 1.073 459 V CB -0.319 31.504 31.823 0.000 0.000 0.699 459 V HN 0.244 nan 8.190 nan 0.000 0.463 460 R N 0.232 120.726 120.500 -0.010 0.000 2.090 460 R HA -0.061 4.279 4.340 -0.001 0.000 0.228 460 R C 2.175 178.505 176.300 0.050 0.000 1.110 460 R CA 1.405 57.492 56.100 -0.022 0.000 0.973 460 R CB -0.249 30.032 30.300 -0.031 0.000 0.869 460 R HN 0.491 nan 8.270 nan 0.000 0.440 461 A N -0.040 122.809 122.820 0.049 0.000 2.067 461 A HA 0.103 4.423 4.320 -0.001 0.000 0.217 461 A C 1.861 179.486 177.584 0.069 0.000 1.156 461 A CA 1.080 53.148 52.037 0.051 0.000 0.683 461 A CB -0.062 18.957 19.000 0.032 0.000 0.808 461 A HN 0.402 nan 8.150 nan 0.000 0.455 462 A N -2.163 120.717 122.820 0.099 0.000 2.278 462 A HA 0.153 4.473 4.320 -0.001 0.000 0.212 462 A C 1.520 179.158 177.584 0.089 0.000 1.213 462 A CA 0.382 52.470 52.037 0.085 0.000 0.840 462 A CB -0.574 18.474 19.000 0.080 0.000 0.866 462 A HN 0.653 nan 8.150 nan 0.000 0.489 463 H N -1.197 117.876 119.070 0.004 0.000 2.855 463 H HA 0.335 4.890 4.556 -0.001 0.000 0.259 463 H C 1.143 176.475 175.328 0.007 0.000 0.972 463 H CA 0.483 56.535 56.048 0.005 0.000 1.213 463 H CB 0.497 30.263 29.762 0.006 0.000 1.451 463 H HN 0.508 nan 8.280 nan 0.000 0.484 464 A N 1.480 124.370 122.820 0.116 0.000 2.445 464 A HA 0.328 4.647 4.320 -0.001 0.000 0.242 464 A C 1.205 178.811 177.584 0.037 0.000 1.075 464 A CA 0.785 52.863 52.037 0.068 0.000 0.777 464 A CB 0.276 19.307 19.000 0.052 0.000 1.013 464 A HN 0.677 nan 8.150 nan 0.000 0.493 465 S N 1.646 117.364 115.700 0.030 0.000 4.158 465 S HA -0.270 4.199 4.470 -0.001 0.000 0.613 465 S C 0.930 175.536 174.600 0.009 0.000 1.866 465 S CA 1.308 59.518 58.200 0.017 0.000 4.250 465 S CB -1.635 61.572 63.200 0.011 0.000 0.202 465 S HN 0.889 nan 8.310 nan 0.000 0.455 466 N N 2.574 121.272 118.700 -0.003 0.000 3.039 466 N HA 0.393 5.133 4.740 -0.001 0.000 0.231 466 N C 0.970 176.457 175.510 -0.039 0.000 1.053 466 N CA 0.837 53.879 53.050 -0.014 0.000 1.191 466 N CB -0.963 37.516 38.487 -0.013 0.000 1.597 466 N HN 0.993 nan 8.380 nan 0.000 0.585 467 G N 0.661 109.432 108.800 -0.048 0.000 2.606 467 G HA2 0.135 4.095 3.960 -0.001 0.000 0.252 467 G HA3 0.135 4.095 3.960 -0.001 0.000 0.252 467 G C 0.525 175.346 174.900 -0.131 0.000 1.206 467 G CA -0.154 44.896 45.100 -0.084 0.000 0.861 467 G HN 0.182 nan 8.290 nan 0.000 0.561 468 N N -0.226 118.325 118.700 -0.249 0.000 2.436 468 N HA -0.003 4.737 4.740 -0.001 0.000 0.178 468 N C 1.642 176.993 175.510 -0.266 0.000 1.026 468 N CA 0.784 53.702 53.050 -0.220 0.000 0.880 468 N CB 0.055 38.432 38.487 -0.184 0.000 1.061 468 N HN 0.815 nan 8.380 nan 0.000 0.434 469 K N -0.859 119.220 120.400 -0.534 0.000 3.459 469 K HA -0.198 4.122 4.320 -0.001 0.000 0.291 469 K C 0.258 176.767 176.600 -0.152 0.000 0.863 469 K CA 1.302 57.395 56.287 -0.324 0.000 1.269 469 K CB -1.726 30.712 32.500 -0.103 0.000 1.300 469 K HN 0.300 nan 8.250 nan 0.000 0.507 470 c N 2.131 120.644 118.600 -0.145 0.000 2.778 470 c HA 0.683 5.253 4.570 -0.001 0.000 0.294 470 c C 0.674 174.759 174.090 -0.009 0.000 1.331 470 c CA 0.287 56.595 56.329 -0.035 0.000 1.741 470 c CB -0.883 41.612 42.510 -0.026 0.000 2.106 470 c HN 0.448 nan 8.230 nan 0.000 0.603 471 A N 0.503 123.302 122.820 -0.036 0.000 2.274 471 A HA 0.762 5.082 4.320 -0.001 0.000 0.309 471 A C 0.352 178.058 177.584 0.204 0.000 1.226 471 A CA 0.412 52.481 52.037 0.054 0.000 0.853 471 A CB 0.326 19.320 19.000 -0.010 0.000 1.146 471 A HN 0.762 nan 8.150 nan 0.000 0.518 472 G N 0.318 109.185 108.800 0.111 0.000 2.663 472 G HA2 0.526 4.485 3.960 -0.001 0.000 0.299 472 G HA3 0.526 4.485 3.960 -0.001 0.000 0.299 472 G C -1.508 173.417 174.900 0.043 0.000 1.372 472 G CA -0.724 44.427 45.100 0.084 0.000 0.781 472 G HN 1.044 nan 8.290 nan 0.000 0.491 473 L N 0.924 122.156 121.223 0.016 0.000 2.319 473 L HA 0.544 4.883 4.340 -0.001 0.000 0.280 473 L C -0.232 176.632 176.870 -0.011 0.000 1.099 473 L CA -0.882 53.956 54.840 -0.004 0.000 0.828 473 L CB 0.870 42.914 42.059 -0.026 0.000 1.150 473 L HN 0.434 nan 8.230 nan 0.000 0.442 474 N N 3.470 122.169 118.700 -0.002 0.000 2.485 474 N HA 0.133 4.872 4.740 -0.001 0.000 0.243 474 N C 0.898 176.373 175.510 -0.060 0.000 0.987 474 N CA -0.145 52.908 53.050 0.005 0.000 0.940 474 N CB 1.203 39.732 38.487 0.070 0.000 1.122 474 N HN 0.554 nan 8.380 nan 0.000 0.509 475 V N 1.711 121.495 119.914 -0.218 0.000 2.867 475 V HA -0.075 4.045 4.120 -0.001 0.000 0.260 475 V C 1.146 177.019 176.094 -0.369 0.000 1.099 475 V CA 1.346 63.435 62.300 -0.351 0.000 1.122 475 V CB -1.087 30.423 31.823 -0.521 0.000 0.708 475 V HN 0.370 nan 8.190 nan 0.000 0.490 476 F N 1.183 121.133 119.950 0.001 0.000 2.317 476 F HA 0.126 4.653 4.527 -0.000 0.000 0.290 476 F C 2.609 178.410 175.800 0.001 0.000 1.075 476 F CA 1.374 59.375 58.000 0.001 0.000 1.380 476 F CB -1.220 37.781 39.000 0.001 0.000 1.093 476 F HN 0.022 nan 8.300 nan 0.000 0.524 477 T N -0.980 113.678 114.554 0.173 0.000 2.812 477 T HA 0.173 4.523 4.350 -0.001 0.000 0.264 477 T C 2.087 176.818 174.700 0.052 0.000 1.042 477 T CA 1.567 63.725 62.100 0.097 0.000 1.140 477 T CB -0.719 68.196 68.868 0.078 0.000 0.870 477 T HN 0.508 nan 8.240 nan 0.000 0.445 478 G N 1.293 110.109 108.800 0.026 0.000 2.399 478 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.216 478 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.216 478 G C 0.361 175.264 174.900 0.004 0.000 1.096 478 G CA 0.044 45.147 45.100 0.005 0.000 0.650 478 G HN 0.930 nan 8.290 nan 0.000 0.512 479 A N 0.025 122.854 122.820 0.015 0.000 2.252 479 A HA 0.791 5.111 4.320 -0.001 0.000 0.305 479 A C 0.591 178.186 177.584 0.018 0.000 1.097 479 A CA 0.461 52.506 52.037 0.014 0.000 0.849 479 A CB 1.365 20.375 19.000 0.017 0.000 1.142 479 A HN 1.705 nan 8.150 nan 0.000 0.499 480 V N 0.540 120.465 119.914 0.019 0.000 2.470 480 V HA 0.335 4.455 4.120 -0.001 0.000 0.276 480 V C 0.086 176.198 176.094 0.029 0.000 1.040 480 V CA 0.373 62.689 62.300 0.027 0.000 1.008 480 V CB 0.168 32.011 31.823 0.034 0.000 0.990 480 V HN 0.945 nan 8.190 nan 0.000 0.477 481 E N 3.985 124.204 120.200 0.033 0.000 2.339 481 E HA 0.348 4.698 4.350 -0.001 0.000 0.262 481 E C -1.116 175.500 176.600 0.027 0.000 0.934 481 E CA -0.882 55.535 56.400 0.029 0.000 0.802 481 E CB 1.535 31.256 29.700 0.036 0.000 1.275 481 E HN 0.788 nan 8.360 nan 0.000 0.427 482 D N 2.358 122.769 120.400 0.018 0.000 2.336 482 D HA 0.055 4.695 4.640 -0.001 0.000 0.249 482 D C 0.846 177.157 176.300 0.019 0.000 1.213 482 D CA -0.030 53.976 54.000 0.011 0.000 0.870 482 D CB 0.803 41.603 40.800 -0.001 0.000 1.076 482 D HN 0.412 nan 8.370 nan 0.000 0.483 483 M N 2.477 122.092 119.600 0.024 0.000 2.319 483 M HA -0.101 4.379 4.480 -0.001 0.000 0.265 483 M C 2.163 178.478 176.300 0.024 0.000 1.068 483 M CA 0.454 55.772 55.300 0.031 0.000 1.118 483 M CB -0.571 32.052 32.600 0.038 0.000 1.395 483 M HN 0.512 nan 8.290 nan 0.000 0.435 484 c N 0.743 119.351 118.600 0.015 0.000 2.446 484 c HA -0.110 4.460 4.570 -0.001 0.000 0.277 484 c C 2.480 176.576 174.090 0.009 0.000 1.275 484 c CA 0.767 57.102 56.329 0.010 0.000 1.727 484 c CB -0.950 41.562 42.510 0.003 0.000 2.010 484 c HN 0.563 nan 8.230 nan 0.000 0.486 485 E N 0.877 121.082 120.200 0.008 0.000 2.274 485 E HA -0.109 4.240 4.350 -0.001 0.000 0.194 485 E C 1.535 178.142 176.600 0.011 0.000 0.996 485 E CA 0.624 57.029 56.400 0.007 0.000 0.840 485 E CB -0.120 29.583 29.700 0.005 0.000 0.772 485 E HN 0.589 nan 8.360 nan 0.000 0.491 486 N N -0.218 118.493 118.700 0.018 0.000 2.290 486 N HA -0.021 4.719 4.740 -0.001 0.000 0.179 486 N C 1.052 176.576 175.510 0.022 0.000 1.016 486 N CA 1.255 54.319 53.050 0.024 0.000 0.871 486 N CB 0.609 39.120 38.487 0.040 0.000 0.987 486 N HN 0.258 nan 8.380 nan 0.000 0.431 487 G N -0.892 107.921 108.800 0.022 0.000 2.151 487 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.156 487 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.156 487 G C -0.674 174.241 174.900 0.026 0.000 1.017 487 G CA -0.152 44.959 45.100 0.018 0.000 0.686 487 G HN 0.123 nan 8.290 nan 0.000 0.503 488 V N 1.436 121.370 119.914 0.033 0.000 2.304 488 V HA 0.648 4.768 4.120 -0.001 0.000 0.269 488 V C 0.506 176.617 176.094 0.029 0.000 1.036 488 V CA -0.206 62.117 62.300 0.038 0.000 0.840 488 V CB 1.085 32.939 31.823 0.051 0.000 1.036 488 V HN 1.102 nan 8.190 nan 0.000 0.466 489 V N 1.870 121.799 119.914 0.024 0.000 2.841 489 V HA 0.794 4.914 4.120 -0.001 0.000 0.310 489 V C -0.839 175.264 176.094 0.016 0.000 1.090 489 V CA -0.833 61.478 62.300 0.018 0.000 0.930 489 V CB 2.199 34.030 31.823 0.014 0.000 1.014 489 V HN 0.698 nan 8.190 nan 0.000 0.425 490 E N 3.470 123.678 120.200 0.013 0.000 2.312 490 E HA 0.639 4.989 4.350 -0.001 0.000 0.267 490 E C -2.941 173.664 176.600 0.008 0.000 0.894 490 E CA -2.171 54.236 56.400 0.011 0.000 0.773 490 E CB 2.735 32.441 29.700 0.010 0.000 1.241 490 E HN 0.573 nan 8.360 nan 0.000 0.432 491 P HA -0.039 nan 4.420 nan 0.000 0.269 491 P C 0.287 177.590 177.300 0.004 0.000 1.215 491 P CA -0.280 62.823 63.100 0.005 0.000 0.780 491 P CB 0.561 32.263 31.700 0.003 0.000 0.898 492 L N 3.277 124.503 121.223 0.004 0.000 2.131 492 L HA -0.115 4.225 4.340 -0.001 0.000 0.210 492 L C 2.187 179.059 176.870 0.003 0.000 1.092 492 L CA 1.784 56.626 54.840 0.003 0.000 0.759 492 L CB -0.799 41.261 42.059 0.002 0.000 0.903 492 L HN 0.304 nan 8.230 nan 0.000 0.435 493 R N -1.263 119.239 120.500 0.003 0.000 2.189 493 R HA -0.090 4.250 4.340 -0.001 0.000 0.223 493 R C 1.976 178.278 176.300 0.003 0.000 1.092 493 R CA 1.250 57.352 56.100 0.002 0.000 0.989 493 R CB -0.069 30.232 30.300 0.002 0.000 0.876 493 R HN 0.366 nan 8.270 nan 0.000 0.457 494 V N 1.144 121.060 119.914 0.003 0.000 2.358 494 V HA -0.225 3.895 4.120 -0.001 0.000 0.246 494 V C 2.150 178.245 176.094 0.001 0.000 1.047 494 V CA 1.641 63.942 62.300 0.002 0.000 1.035 494 V CB -0.260 31.564 31.823 0.002 0.000 0.658 494 V HN 0.243 nan 8.190 nan 0.000 0.452 495 K N 0.427 120.829 120.400 0.003 0.000 2.098 495 K HA -0.023 4.297 4.320 -0.001 0.000 0.203 495 K C 2.351 178.955 176.600 0.008 0.000 1.051 495 K CA 1.666 57.955 56.287 0.003 0.000 0.957 495 K CB -1.002 31.501 32.500 0.005 0.000 0.738 495 K HN 0.676 nan 8.250 nan 0.000 0.447 496 T N -0.438 114.121 114.554 0.008 0.000 2.821 496 T HA -0.169 4.180 4.350 -0.001 0.000 0.267 496 T C 2.113 176.821 174.700 0.013 0.000 1.046 496 T CA 1.239 63.345 62.100 0.010 0.000 1.139 496 T CB -0.078 68.793 68.868 0.005 0.000 0.871 496 T HN 0.033 nan 8.240 nan 0.000 0.454 497 Q N 1.845 121.651 119.800 0.009 0.000 2.046 497 Q HA 0.193 4.532 4.340 -0.001 0.000 0.200 497 Q C 2.496 178.502 176.000 0.011 0.000 0.975 497 Q CA 1.814 57.623 55.803 0.010 0.000 0.836 497 Q CB -0.991 27.751 28.738 0.006 0.000 0.896 497 Q HN 0.631 nan 8.270 nan 0.000 0.428 498 A N 0.171 122.995 122.820 0.006 0.000 1.940 498 A HA -0.164 4.156 4.320 -0.001 0.000 0.219 498 A C 2.102 179.687 177.584 0.003 0.000 1.176 498 A CA 1.622 53.659 52.037 -0.001 0.000 0.631 498 A CB -0.722 18.272 19.000 -0.010 0.000 0.814 498 A HN 0.503 nan 8.150 nan 0.000 0.446 499 I N -1.475 119.105 120.570 0.018 0.000 2.333 499 I HA -0.192 3.978 4.170 -0.001 0.000 0.246 499 I C 2.727 178.892 176.117 0.080 0.000 1.106 499 I CA 1.483 62.812 61.300 0.048 0.000 1.411 499 I CB -0.217 37.832 38.000 0.083 0.000 1.082 499 I HN 0.361 nan 8.210 nan 0.000 0.420 500 Q N 1.156 120.990 119.800 0.057 0.000 2.046 500 Q HA -0.182 4.157 4.340 -0.001 0.000 0.200 500 Q C 2.371 178.402 176.000 0.051 0.000 0.975 500 Q CA 2.485 58.321 55.803 0.054 0.000 0.836 500 Q CB -0.224 28.533 28.738 0.032 0.000 0.896 500 Q HN 0.534 nan 8.270 nan 0.000 0.428 501 S N -0.684 115.037 115.700 0.035 0.000 2.402 501 S HA -0.025 4.444 4.470 -0.001 0.000 0.229 501 S C 2.052 176.672 174.600 0.033 0.000 1.021 501 S CA 0.870 59.089 58.200 0.031 0.000 0.974 501 S CB -0.514 62.698 63.200 0.019 0.000 0.800 501 S HN 0.430 nan 8.310 nan 0.000 0.484 502 A N 1.810 124.645 122.820 0.025 0.000 1.930 502 A HA 0.417 4.737 4.320 -0.001 0.000 0.217 502 A C 2.477 180.091 177.584 0.049 0.000 1.175 502 A CA 1.470 53.514 52.037 0.012 0.000 0.627 502 A CB -1.282 17.695 19.000 -0.039 0.000 0.815 502 A HN 0.836 nan 8.150 nan 0.000 0.443 503 A N -0.314 122.566 122.820 0.099 0.000 1.929 503 A HA -0.074 4.245 4.320 -0.001 0.000 0.216 503 A C 1.908 179.587 177.584 0.158 0.000 1.176 503 A CA 1.445 53.596 52.037 0.189 0.000 0.628 503 A CB -0.357 18.802 19.000 0.265 0.000 0.816 503 A HN 0.594 nan 8.150 nan 0.000 0.444 504 E N 0.131 120.394 120.200 0.104 0.000 2.158 504 E HA -0.104 4.246 4.350 -0.001 0.000 0.191 504 E C 2.330 178.976 176.600 0.077 0.000 0.982 504 E CA 1.167 57.618 56.400 0.084 0.000 0.823 504 E CB -0.054 29.681 29.700 0.058 0.000 0.766 504 E HN 0.784 nan 8.360 nan 0.000 0.468 505 S N 0.419 116.160 115.700 0.069 0.000 2.395 505 S HA -0.120 4.350 4.470 -0.001 0.000 0.225 505 S C 2.279 176.921 174.600 0.070 0.000 1.027 505 S CA 1.329 59.564 58.200 0.058 0.000 0.965 505 S CB -0.601 62.623 63.200 0.041 0.000 0.812 505 S HN 0.300 nan 8.310 nan 0.000 0.482 506 T N -0.039 114.571 114.554 0.093 0.000 3.023 506 T HA 0.119 4.468 4.350 -0.001 0.000 0.266 506 T C 1.529 176.314 174.700 0.141 0.000 1.093 506 T CA 0.915 63.085 62.100 0.116 0.000 1.129 506 T CB -0.515 68.445 68.868 0.152 0.000 0.899 506 T HN 0.514 nan 8.240 nan 0.000 0.491 507 E N 0.506 120.802 120.200 0.160 0.000 2.204 507 E HA -0.028 4.322 4.350 -0.001 0.000 0.194 507 E C 2.017 178.664 176.600 0.077 0.000 0.989 507 E CA 1.116 57.597 56.400 0.135 0.000 0.824 507 E CB -0.216 29.570 29.700 0.143 0.000 0.756 507 E HN 0.622 nan 8.360 nan 0.000 0.477 508 M N 0.223 119.864 119.600 0.069 0.000 2.248 508 M HA -0.049 4.430 4.480 -0.001 0.000 0.265 508 M C 1.879 178.205 176.300 0.043 0.000 1.079 508 M CA 1.057 56.388 55.300 0.051 0.000 1.150 508 M CB 0.178 32.807 32.600 0.048 0.000 1.366 508 M HN 0.054 nan 8.290 nan 0.000 0.433 509 L N 0.738 121.988 121.223 0.045 0.000 2.042 509 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 509 L C 2.373 179.259 176.870 0.026 0.000 1.076 509 L CA 1.243 56.105 54.840 0.037 0.000 0.749 509 L CB -0.739 41.341 42.059 0.035 0.000 0.893 509 L HN 0.394 nan 8.230 nan 0.000 0.432 510 L N -0.755 120.481 121.223 0.022 0.000 2.191 510 L HA -0.186 4.154 4.340 -0.001 0.000 0.212 510 L C 2.615 179.484 176.870 -0.002 0.000 1.103 510 L CA 1.051 55.889 54.840 -0.004 0.000 0.769 510 L CB -0.436 41.602 42.059 -0.035 0.000 0.908 510 L HN 0.209 nan 8.230 nan 0.000 0.438 511 R N -0.146 120.363 120.500 0.015 0.000 2.280 511 R HA 0.072 4.411 4.340 -0.001 0.000 0.207 511 R C 0.484 176.797 176.300 0.021 0.000 1.043 511 R CA 0.304 56.418 56.100 0.022 0.000 1.006 511 R CB -0.154 30.165 30.300 0.031 0.000 0.885 511 R HN 0.294 nan 8.270 nan 0.000 0.467 512 I N 2.083 122.666 120.570 0.021 0.000 2.441 512 I HA -0.052 4.117 4.170 -0.001 0.000 0.287 512 I C 0.922 177.051 176.117 0.019 0.000 1.049 512 I CA 0.180 61.496 61.300 0.026 0.000 1.381 512 I CB 0.974 38.997 38.000 0.038 0.000 1.409 512 I HN 0.116 nan 8.210 nan 0.000 0.523 513 D N 3.510 123.922 120.400 0.020 0.000 2.486 513 D HA 0.069 4.708 4.640 -0.001 0.000 0.243 513 D C -0.093 176.224 176.300 0.029 0.000 1.146 513 D CA 0.050 54.058 54.000 0.013 0.000 0.821 513 D CB 0.713 41.511 40.800 -0.004 0.000 1.201 513 D HN 0.419 nan 8.370 nan 0.000 0.525 514 D N 0.430 120.853 120.400 0.037 0.000 2.934 514 D HA 0.367 5.007 4.640 -0.001 0.000 0.230 514 D C -1.329 175.001 176.300 0.051 0.000 1.204 514 D CA -0.448 53.577 54.000 0.041 0.000 0.873 514 D CB 3.023 43.834 40.800 0.020 0.000 1.645 514 D HN -0.191 nan 8.370 nan 0.000 0.502 515 V N 3.961 123.914 119.914 0.065 0.000 2.656 515 V HA 0.543 4.663 4.120 -0.001 0.000 0.307 515 V C 0.048 176.132 176.094 -0.018 0.000 1.051 515 V CA -0.697 61.641 62.300 0.063 0.000 0.893 515 V CB 2.048 33.977 31.823 0.176 0.000 0.999 515 V HN 0.462 nan 8.190 nan 0.000 0.426 516 I N 3.744 124.298 120.570 -0.026 0.000 2.466 516 I HA 0.650 4.820 4.170 -0.001 0.000 0.279 516 I C 0.148 176.229 176.117 -0.059 0.000 1.033 516 I CA -0.387 60.874 61.300 -0.065 0.000 1.123 516 I CB 1.538 39.512 38.000 -0.043 0.000 1.237 516 I HN 0.697 nan 8.210 nan 0.000 0.460 517 A N 5.047 127.811 122.820 -0.094 0.000 2.288 517 A HA 0.896 5.216 4.320 -0.001 0.000 0.320 517 A C 0.030 177.573 177.584 -0.068 0.000 1.217 517 A CA -0.337 51.659 52.037 -0.068 0.000 0.840 517 A CB 0.979 19.944 19.000 -0.058 0.000 1.179 517 A HN 0.716 nan 8.150 nan 0.000 0.504 518 A N 1.737 124.529 122.820 -0.045 0.000 2.247 518 A HA 0.785 5.105 4.320 -0.001 0.000 0.313 518 A C 0.470 178.035 177.584 -0.031 0.000 1.109 518 A CA 0.164 52.178 52.037 -0.039 0.000 0.890 518 A CB 0.128 19.111 19.000 -0.029 0.000 1.239 518 A HN 1.228 nan 8.150 nan 0.000 0.506 519 E N 0.000 120.185 120.200 -0.026 0.000 2.725 519 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 519 E CA 0.000 56.389 56.400 -0.019 0.000 0.976 519 E CB 0.000 29.691 29.700 -0.014 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440