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 2odo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRPARALIDL QALRHNYQLA REVTGAKALA VIXADAYGHG AVRCAQALEA DATA SEQUENCE EADGFAVACI EEALELRAAG IRAPILLLEG FFEADELPLI VEHDFWCVVH DATA SEQUENCE SLWQLDAIEQ ARLAKPIHVW LXLDSGMHRV GLHPNDYKAA YQRLQASANV DATA SEQUENCE AKIVLMSHFA RADELDCTRS VEQVAVFLGA RADLTAEISL RNSPAVLGWP DATA SEQUENCE RVPSDWVRPG LMLYGSSPFD EPQATASRLQ PVMTLESKVI CVRELPAGEP DATA SEQUENCE VGYGARFITP KPMRIGVVAM GYADGYPRQA PTGTPVFVDG VRSQLLGRVS DATA SEQUENCE MDMLCIDLTD VPQAGLGSTV ELWGKNILAS EVATAADTIP YQIFCNLKRV DATA SEQUENCE PRLYSG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.284 176.300 -0.026 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.021 0.000 0.988 1 M CB 0.000 32.589 32.600 -0.019 0.000 1.302 2 R N 3.073 123.555 120.500 -0.030 0.000 2.421 2 R HA 0.241 4.581 4.340 0.000 0.000 0.305 2 R C -1.264 175.010 176.300 -0.043 0.000 1.039 2 R CA -0.716 55.361 56.100 -0.038 0.000 1.003 2 R CB 0.470 30.746 30.300 -0.040 0.000 0.959 2 R HN 0.313 nan 8.270 nan 0.000 0.427 3 P HA -0.070 nan 4.420 nan 0.000 0.230 3 P C -0.247 177.016 177.300 -0.062 0.000 1.158 3 P CA 0.471 63.541 63.100 -0.050 0.000 0.769 3 P CB 0.188 31.858 31.700 -0.050 0.000 0.807 4 A N 1.974 124.752 122.820 -0.070 0.000 2.524 4 A HA 0.301 4.621 4.320 0.000 0.000 0.250 4 A C 0.629 178.164 177.584 -0.082 0.000 1.078 4 A CA -0.057 51.927 52.037 -0.087 0.000 0.761 4 A CB -0.340 18.605 19.000 -0.092 0.000 1.012 4 A HN 0.318 nan 8.150 nan 0.000 0.500 5 R N 1.387 121.829 120.500 -0.097 0.000 2.604 5 R HA 0.692 5.032 4.340 0.000 0.000 0.270 5 R C -0.996 175.234 176.300 -0.118 0.000 1.052 5 R CA -0.505 55.539 56.100 -0.093 0.000 0.902 5 R CB 1.639 31.894 30.300 -0.075 0.000 1.233 5 R HN 0.800 nan 8.270 nan 0.000 0.455 6 A N 4.411 127.157 122.820 -0.124 0.000 2.258 6 A HA 0.521 4.841 4.320 0.000 0.000 0.316 6 A C -0.399 177.092 177.584 -0.155 0.000 1.279 6 A CA -0.847 51.107 52.037 -0.138 0.000 0.876 6 A CB 0.571 19.492 19.000 -0.131 0.000 1.170 6 A HN 0.637 nan 8.150 nan 0.000 0.520 7 L N 3.751 124.903 121.223 -0.118 0.000 2.292 7 L HA 0.420 4.760 4.340 0.000 0.000 0.284 7 L C -0.552 176.261 176.870 -0.096 0.000 1.065 7 L CA -0.495 54.278 54.840 -0.112 0.000 0.806 7 L CB 1.103 43.128 42.059 -0.058 0.000 1.175 7 L HN 0.482 nan 8.230 nan 0.000 0.431 8 I N 2.487 122.964 120.570 -0.155 0.000 2.354 8 I HA 0.170 4.340 4.170 0.000 0.000 0.286 8 I C -0.264 175.881 176.117 0.048 0.000 1.007 8 I CA -0.372 60.891 61.300 -0.062 0.000 1.167 8 I CB 1.275 39.150 38.000 -0.209 0.000 1.320 8 I HN 0.513 nan 8.210 nan 0.000 0.458 9 D N 6.693 127.141 120.400 0.081 0.000 2.402 9 D HA 0.193 4.833 4.640 0.000 0.000 0.235 9 D C 1.081 177.443 176.300 0.103 0.000 1.226 9 D CA -0.035 54.014 54.000 0.080 0.000 0.918 9 D CB 0.876 41.712 40.800 0.059 0.000 1.043 9 D HN 0.428 nan 8.370 nan 0.000 0.506 10 L N 2.553 123.849 121.223 0.121 0.000 2.156 10 L HA -0.092 4.248 4.340 0.000 0.000 0.208 10 L C 2.394 179.312 176.870 0.081 0.000 1.095 10 L CA 0.555 55.465 54.840 0.117 0.000 0.770 10 L CB -0.180 41.955 42.059 0.126 0.000 0.914 10 L HN 0.458 nan 8.230 nan 0.000 0.439 11 Q N 0.331 120.173 119.800 0.071 0.000 2.119 11 Q HA -0.186 4.154 4.340 0.000 0.000 0.201 11 Q C 2.276 178.322 176.000 0.077 0.000 0.972 11 Q CA 1.728 57.570 55.803 0.064 0.000 0.847 11 Q CB 0.047 28.813 28.738 0.047 0.000 0.903 11 Q HN 0.529 nan 8.270 nan 0.000 0.433 12 A N 0.732 123.587 122.820 0.060 0.000 1.930 12 A HA -0.163 4.157 4.320 0.000 0.000 0.217 12 A C 2.046 179.685 177.584 0.091 0.000 1.175 12 A CA 1.148 53.220 52.037 0.059 0.000 0.627 12 A CB -0.616 18.402 19.000 0.030 0.000 0.815 12 A HN 0.408 nan 8.150 nan 0.000 0.443 13 L N -0.146 121.113 121.223 0.060 0.000 2.046 13 L HA -0.135 4.205 4.340 0.000 0.000 0.208 13 L C 2.427 179.324 176.870 0.045 0.000 1.077 13 L CA 1.938 56.787 54.840 0.015 0.000 0.747 13 L CB -0.466 41.600 42.059 0.013 0.000 0.896 13 L HN 0.327 nan 8.230 nan 0.000 0.432 14 R N -1.520 119.026 120.500 0.076 0.000 2.096 14 R HA -0.189 4.151 4.340 0.000 0.000 0.235 14 R C 2.394 178.773 176.300 0.131 0.000 1.127 14 R CA 1.316 57.473 56.100 0.096 0.000 0.968 14 R CB -0.691 29.658 30.300 0.082 0.000 0.861 14 R HN 0.598 nan 8.270 nan 0.000 0.440 15 H N 0.969 120.062 119.070 0.038 0.000 2.357 15 H HA -0.028 4.528 4.556 0.000 0.000 0.301 15 H C 1.243 176.579 175.328 0.014 0.000 1.082 15 H CA 1.328 57.391 56.048 0.025 0.000 1.342 15 H CB 0.238 30.009 29.762 0.016 0.000 1.389 15 H HN 0.132 nan 8.280 nan 0.000 0.511 16 N N 0.242 118.994 118.700 0.086 0.000 2.270 16 N HA -0.150 4.590 4.740 0.000 0.000 0.181 16 N C 1.853 177.332 175.510 -0.051 0.000 1.016 16 N CA 0.780 53.830 53.050 0.000 0.000 0.870 16 N CB -0.719 37.770 38.487 0.003 0.000 0.979 16 N HN 0.441 nan 8.380 nan 0.000 0.431 17 Y N 1.929 122.155 120.300 -0.124 0.000 2.163 17 Y HA -0.127 4.423 4.550 0.000 0.000 0.288 17 Y C 2.287 178.119 175.900 -0.113 0.000 1.136 17 Y CA 1.603 59.630 58.100 -0.120 0.000 1.147 17 Y CB -0.226 38.173 38.460 -0.103 0.000 0.987 17 Y HN 0.048 nan 8.280 nan 0.000 0.509 18 Q N 0.061 119.795 119.800 -0.110 0.000 2.135 18 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 18 Q C 2.348 178.197 176.000 -0.251 0.000 0.981 18 Q CA 1.851 57.541 55.803 -0.188 0.000 0.856 18 Q CB -0.328 28.347 28.738 -0.105 0.000 0.902 18 Q HN 0.582 nan 8.270 nan 0.000 0.425 19 L N 0.101 121.163 121.223 -0.269 0.000 2.042 19 L HA -0.228 4.112 4.340 0.000 0.000 0.210 19 L C 2.248 179.008 176.870 -0.183 0.000 1.076 19 L CA 1.348 56.052 54.840 -0.227 0.000 0.749 19 L CB -0.338 41.592 42.059 -0.215 0.000 0.893 19 L HN 0.225 nan 8.230 nan 0.000 0.432 20 A N -0.321 122.367 122.820 -0.221 0.000 1.902 20 A HA -0.238 4.082 4.320 0.000 0.000 0.217 20 A C 2.336 179.789 177.584 -0.219 0.000 1.181 20 A CA 1.772 53.688 52.037 -0.202 0.000 0.623 20 A CB -0.519 18.337 19.000 -0.240 0.000 0.818 20 A HN 0.446 nan 8.150 nan 0.000 0.443 21 R N -0.908 119.403 120.500 -0.315 0.000 2.075 21 R HA -0.107 4.233 4.340 0.000 0.000 0.232 21 R C 2.352 178.556 176.300 -0.161 0.000 1.126 21 R CA 1.409 57.356 56.100 -0.254 0.000 0.963 21 R CB -0.260 29.860 30.300 -0.298 0.000 0.858 21 R HN 0.785 nan 8.270 nan 0.000 0.435 22 E N 0.380 120.489 120.200 -0.152 0.000 2.077 22 E HA -0.157 4.193 4.350 0.000 0.000 0.193 22 E C 1.731 178.283 176.600 -0.081 0.000 0.989 22 E CA 1.289 57.625 56.400 -0.107 0.000 0.800 22 E CB 0.224 29.857 29.700 -0.111 0.000 0.746 22 E HN 0.098 nan 8.360 nan 0.000 0.452 23 V N -0.043 119.824 119.914 -0.079 0.000 2.719 23 V HA -0.117 4.003 4.120 0.000 0.000 0.252 23 V C 2.248 178.320 176.094 -0.036 0.000 1.065 23 V CA 1.875 64.145 62.300 -0.050 0.000 1.086 23 V CB 0.036 31.837 31.823 -0.037 0.000 0.700 23 V HN 0.322 nan 8.190 nan 0.000 0.467 24 T N -1.436 113.090 114.554 -0.047 0.000 3.034 24 T HA 0.258 4.608 4.350 0.000 0.000 0.248 24 T C 1.420 176.095 174.700 -0.041 0.000 1.040 24 T CA 1.105 63.188 62.100 -0.028 0.000 1.107 24 T CB 0.137 68.994 68.868 -0.017 0.000 0.932 24 T HN 0.720 nan 8.240 nan 0.000 0.474 25 G N 1.180 109.941 108.800 -0.066 0.000 2.143 25 G HA2 -0.031 3.929 3.960 0.000 0.000 0.248 25 G HA3 -0.031 3.929 3.960 0.000 0.000 0.248 25 G C 0.153 175.000 174.900 -0.088 0.000 0.991 25 G CA 0.348 45.406 45.100 -0.070 0.000 0.689 25 G HN 0.951 nan 8.290 nan 0.000 0.522 26 A N -1.075 121.681 122.820 -0.106 0.000 2.389 26 A HA 0.912 5.232 4.320 0.000 0.000 0.293 26 A C 0.113 177.574 177.584 -0.204 0.000 1.186 26 A CA -0.479 51.469 52.037 -0.148 0.000 0.828 26 A CB 0.928 19.864 19.000 -0.107 0.000 1.369 26 A HN 0.302 nan 8.150 nan 0.000 0.446 27 K N -0.097 120.097 120.400 -0.343 0.000 2.295 27 K HA 0.552 4.872 4.320 0.000 0.000 0.270 27 K C -0.301 176.221 176.600 -0.130 0.000 1.011 27 K CA 0.790 56.827 56.287 -0.416 0.000 0.953 27 K CB 1.102 32.928 32.500 -1.122 0.000 0.956 27 K HN 0.845 nan 8.250 nan 0.000 0.477 28 A N 3.350 126.188 122.820 0.030 0.000 2.335 28 A HA 0.460 4.780 4.320 0.000 0.000 0.304 28 A C -1.055 176.745 177.584 0.360 0.000 1.118 28 A CA -0.780 51.354 52.037 0.161 0.000 0.757 28 A CB 0.404 19.323 19.000 -0.135 0.000 1.188 28 A HN 0.622 nan 8.150 nan 0.000 0.460 29 L N 2.609 124.066 121.223 0.390 0.000 2.278 29 L HA 0.460 4.800 4.340 0.000 0.000 0.287 29 L C 0.924 177.896 176.870 0.170 0.000 1.072 29 L CA -0.330 54.652 54.840 0.236 0.000 0.819 29 L CB 1.426 43.590 42.059 0.174 0.000 1.176 29 L HN 0.817 nan 8.230 nan 0.000 0.435 30 A N 4.716 127.577 122.820 0.068 0.000 2.444 30 A HA 0.335 4.655 4.320 0.000 0.000 0.287 30 A C 0.094 177.776 177.584 0.163 0.000 1.195 30 A CA -0.379 51.717 52.037 0.099 0.000 0.858 30 A CB -0.115 18.864 19.000 -0.034 0.000 1.117 30 A HN 0.464 nan 8.150 nan 0.000 0.521 31 V N 5.778 125.768 119.914 0.126 0.000 2.397 31 V HA 0.263 4.383 4.120 0.000 0.000 0.262 31 V C 0.510 176.732 176.094 0.212 0.000 1.047 31 V CA 0.472 62.872 62.300 0.167 0.000 1.003 31 V CB -0.958 30.981 31.823 0.193 0.000 1.037 31 V HN 0.746 nan 8.190 nan 0.000 0.480 35 D N 0.370 120.808 120.400 0.064 0.000 2.697 35 D HA -0.085 4.555 4.640 0.000 0.000 0.238 35 D C 0.726 177.095 176.300 0.115 0.000 1.152 35 D CA 2.076 56.117 54.000 0.068 0.000 0.666 35 D CB -1.359 39.472 40.800 0.053 0.000 1.037 35 D HN 2.241 nan 8.370 nan 0.000 0.423 36 A N 1.059 123.977 122.820 0.163 0.000 2.560 36 A HA -0.211 4.109 4.320 0.000 0.000 0.299 36 A C 0.732 178.361 177.584 0.075 0.000 1.484 36 A CA 1.318 53.482 52.037 0.211 0.000 0.749 36 A CB -2.134 16.987 19.000 0.202 0.000 1.072 36 A HN 1.170 nan 8.150 nan 0.000 0.426 37 Y N -2.956 117.256 120.300 -0.147 0.000 3.305 37 Y HA -0.138 4.412 4.550 0.000 0.000 0.212 37 Y C 1.928 177.797 175.900 -0.052 0.000 1.248 37 Y CA 1.746 59.746 58.100 -0.167 0.000 1.359 37 Y CB -1.921 36.233 38.460 -0.509 0.000 1.407 37 Y HN 2.366 nan 8.280 nan 0.000 0.572 38 G N -1.667 107.198 108.800 0.109 0.000 2.162 38 G HA2 -0.422 3.538 3.960 0.000 0.000 0.260 38 G HA3 -0.422 3.538 3.960 0.000 0.000 0.260 38 G C 0.659 175.531 174.900 -0.046 0.000 0.976 38 G CA 0.773 45.897 45.100 0.041 0.000 0.655 38 G HN 0.651 nan 8.290 nan 0.000 0.533 39 H N -0.067 118.967 119.070 -0.060 0.000 2.544 39 H HA 0.444 5.000 4.556 0.000 0.000 0.269 39 H C 1.676 177.091 175.328 0.144 0.000 0.970 39 H CA 1.543 57.589 56.048 -0.003 0.000 1.219 39 H CB 0.624 30.358 29.762 -0.046 0.000 1.421 39 H HN 1.468 nan 8.280 nan 0.000 0.555 40 G N 0.122 109.055 108.800 0.222 0.000 3.017 40 G HA2 0.053 4.013 3.960 0.000 0.000 0.680 40 G HA3 0.053 4.013 3.960 0.000 0.000 0.680 40 G C 0.815 175.781 174.900 0.109 0.000 1.179 40 G CA -0.062 45.154 45.100 0.192 0.000 1.142 40 G HN 0.475 nan 8.290 nan 0.000 0.489 41 A N 1.727 124.575 122.820 0.048 0.000 1.883 41 A HA 0.128 4.448 4.320 0.000 0.000 0.217 41 A C 2.660 180.172 177.584 -0.119 0.000 1.186 41 A CA 2.876 54.898 52.037 -0.025 0.000 0.624 41 A CB -0.341 18.635 19.000 -0.039 0.000 0.822 41 A HN 1.506 nan 8.150 nan 0.000 0.444 42 V N 0.089 119.936 119.914 -0.111 0.000 2.261 42 V HA -0.252 3.868 4.120 0.000 0.000 0.246 42 V C 2.739 178.715 176.094 -0.197 0.000 1.047 42 V CA 2.183 64.389 62.300 -0.156 0.000 1.015 42 V CB -0.761 30.992 31.823 -0.117 0.000 0.642 42 V HN 0.479 nan 8.190 nan 0.000 0.446 43 R N -0.850 119.508 120.500 -0.238 0.000 2.115 43 R HA -0.108 4.232 4.340 0.000 0.000 0.230 43 R C 2.277 178.435 176.300 -0.237 0.000 1.111 43 R CA 1.613 57.484 56.100 -0.382 0.000 0.976 43 R CB -1.020 28.701 30.300 -0.965 0.000 0.870 43 R HN 0.505 nan 8.270 nan 0.000 0.445 44 C N -0.098 119.134 119.300 -0.114 0.000 2.457 44 C HA 0.029 4.489 4.460 0.000 0.000 0.278 44 C C 2.846 177.785 174.990 -0.086 0.000 1.309 44 C CA 0.648 59.650 59.018 -0.026 0.000 1.735 44 C CB -0.861 26.924 27.740 0.075 0.000 1.992 44 C HN 0.523 nan 8.230 nan 0.000 0.493 45 A N -0.019 122.657 122.820 -0.240 0.000 1.930 45 A HA -0.208 4.112 4.320 0.000 0.000 0.217 45 A C 2.066 179.535 177.584 -0.192 0.000 1.175 45 A CA 1.352 53.097 52.037 -0.487 0.000 0.627 45 A CB -0.567 17.895 19.000 -0.896 0.000 0.815 45 A HN 0.730 nan 8.150 nan 0.000 0.443 46 Q N -0.651 119.052 119.800 -0.161 0.000 2.170 46 Q HA -0.076 4.264 4.340 0.000 0.000 0.203 46 Q C 2.281 178.255 176.000 -0.043 0.000 0.976 46 Q CA 1.288 57.036 55.803 -0.092 0.000 0.858 46 Q CB -0.338 28.331 28.738 -0.115 0.000 0.907 46 Q HN 0.688 nan 8.270 nan 0.000 0.433 47 A N 0.106 122.899 122.820 -0.045 0.000 2.014 47 A HA -0.047 4.273 4.320 0.000 0.000 0.218 47 A C 1.789 179.372 177.584 -0.002 0.000 1.163 47 A CA 0.886 52.913 52.037 -0.017 0.000 0.652 47 A CB -0.073 18.922 19.000 -0.008 0.000 0.808 47 A HN 0.277 nan 8.150 nan 0.000 0.449 48 L N -1.916 119.320 121.223 0.022 0.000 2.575 48 L HA 0.117 4.457 4.340 0.000 0.000 0.228 48 L C 2.204 179.074 176.870 0.001 0.000 1.075 48 L CA 0.417 55.239 54.840 -0.031 0.000 0.867 48 L CB -0.136 41.864 42.059 -0.099 0.000 1.097 48 L HN 0.432 nan 8.230 nan 0.000 0.485 49 E N 1.286 121.573 120.200 0.144 0.000 2.130 49 E HA -0.297 4.053 4.350 0.000 0.000 0.196 49 E C 2.152 178.774 176.600 0.037 0.000 0.998 49 E CA 1.497 57.988 56.400 0.150 0.000 0.806 49 E CB 0.092 29.884 29.700 0.154 0.000 0.738 49 E HN 0.492 nan 8.360 nan 0.000 0.459 50 A N 1.204 124.037 122.820 0.021 0.000 1.972 50 A HA -0.206 4.114 4.320 0.000 0.000 0.219 50 A C 1.690 179.280 177.584 0.010 0.000 1.169 50 A CA 1.845 53.892 52.037 0.015 0.000 0.635 50 A CB -0.308 18.701 19.000 0.015 0.000 0.810 50 A HN 0.531 nan 8.150 nan 0.000 0.446 51 E N -1.442 118.755 120.200 -0.004 0.000 2.714 51 E HA 0.568 4.918 4.350 0.000 0.000 0.219 51 E C 0.159 176.779 176.600 0.033 0.000 0.979 51 E CA 0.136 56.550 56.400 0.024 0.000 1.092 51 E CB 0.236 29.966 29.700 0.050 0.000 1.049 51 E HN 0.391 nan 8.360 nan 0.000 0.487 52 A N 0.913 123.676 122.820 -0.096 0.000 2.325 52 A HA 0.308 4.628 4.320 0.000 0.000 0.333 52 A C 0.296 177.824 177.584 -0.093 0.000 1.155 52 A CA -0.611 51.300 52.037 -0.210 0.000 0.814 52 A CB 0.927 19.495 19.000 -0.720 0.000 1.206 52 A HN 0.089 nan 8.150 nan 0.000 0.482 53 D N 0.648 121.074 120.400 0.043 0.000 2.234 53 D HA 0.248 4.888 4.640 0.000 0.000 0.205 53 D C 0.947 177.303 176.300 0.093 0.000 0.962 53 D CA 1.920 56.002 54.000 0.138 0.000 0.855 53 D CB 0.410 41.355 40.800 0.241 0.000 0.951 53 D HN 0.860 nan 8.370 nan 0.000 0.500 54 G N -0.836 107.851 108.800 -0.189 0.000 2.317 54 G HA2 0.372 4.332 3.960 0.000 0.000 0.293 54 G HA3 0.372 4.332 3.960 0.000 0.000 0.293 54 G C -1.845 172.635 174.900 -0.701 0.000 1.287 54 G CA -0.959 43.914 45.100 -0.377 0.000 0.850 54 G HN 0.000 nan 8.290 nan 0.000 0.515 55 F N -0.162 119.722 119.950 -0.111 0.000 2.620 55 F HA 0.870 5.397 4.527 0.000 0.000 0.320 55 F C 0.460 176.181 175.800 -0.133 0.000 1.069 55 F CA -0.358 57.584 58.000 -0.096 0.000 0.953 55 F CB 2.649 41.584 39.000 -0.108 0.000 1.322 55 F HN 0.864 nan 8.300 nan 0.000 0.479 56 A N 1.194 124.085 122.820 0.118 0.000 2.398 56 A HA 0.850 5.170 4.320 0.000 0.000 0.301 56 A C -1.263 176.338 177.584 0.028 0.000 1.041 56 A CA -0.662 51.374 52.037 -0.002 0.000 0.711 56 A CB 1.233 20.217 19.000 -0.027 0.000 1.240 56 A HN 0.977 nan 8.150 nan 0.000 0.420 57 V N -1.088 118.803 119.914 -0.039 0.000 3.155 57 V HA 0.918 5.038 4.120 0.000 0.000 0.313 57 V C 0.878 176.955 176.094 -0.027 0.000 1.162 57 V CA -0.060 62.226 62.300 -0.024 0.000 1.048 57 V CB 1.233 33.009 31.823 -0.078 0.000 1.092 57 V HN 1.463 nan 8.190 nan 0.000 0.447 58 A N -0.219 122.605 122.820 0.007 0.000 1.935 58 A HA 0.410 4.730 4.320 0.000 0.000 0.214 58 A C 1.092 178.741 177.584 0.109 0.000 1.178 58 A CA 1.287 53.350 52.037 0.044 0.000 0.640 58 A CB -0.667 18.366 19.000 0.054 0.000 0.825 58 A HN 1.841 nan 8.150 nan 0.000 0.447 59 C N -4.343 115.010 119.300 0.087 0.000 3.291 59 C HA 0.679 5.139 4.460 0.000 0.000 0.316 59 C C 1.354 176.360 174.990 0.026 0.000 1.391 59 C CA -0.527 58.608 59.018 0.194 0.000 1.394 59 C CB 0.559 28.456 27.740 0.262 0.000 1.744 59 C HN 0.453 nan 8.230 nan 0.000 0.461 60 I N 1.747 122.361 120.570 0.073 0.000 2.286 60 I HA -0.166 4.004 4.170 0.000 0.000 0.248 60 I C 2.660 178.737 176.117 -0.067 0.000 1.115 60 I CA 2.099 63.372 61.300 -0.045 0.000 1.392 60 I CB -0.041 38.023 38.000 0.106 0.000 1.065 60 I HN 0.884 nan 8.210 nan 0.000 0.418 61 E N 0.418 120.616 120.200 -0.003 0.000 2.204 61 E HA -0.271 4.079 4.350 0.000 0.000 0.194 61 E C 1.667 178.235 176.600 -0.053 0.000 0.989 61 E CA 1.232 57.621 56.400 -0.017 0.000 0.824 61 E CB -0.538 29.161 29.700 -0.002 0.000 0.756 61 E HN 0.651 nan 8.360 nan 0.000 0.477 62 E N 1.052 121.210 120.200 -0.070 0.000 2.107 62 E HA -0.047 4.303 4.350 0.000 0.000 0.191 62 E C 2.110 178.621 176.600 -0.148 0.000 0.982 62 E CA 0.950 57.298 56.400 -0.087 0.000 0.809 62 E CB -0.062 29.599 29.700 -0.065 0.000 0.756 62 E HN 0.364 nan 8.360 nan 0.000 0.459 63 A N 1.046 123.711 122.820 -0.258 0.000 1.929 63 A HA -0.103 4.217 4.320 0.000 0.000 0.216 63 A C 2.145 179.618 177.584 -0.186 0.000 1.176 63 A CA 0.792 52.570 52.037 -0.431 0.000 0.628 63 A CB -0.496 17.826 19.000 -1.130 0.000 0.816 63 A HN 0.117 nan 8.150 nan 0.000 0.444 64 L N -0.680 120.481 121.223 -0.103 0.000 2.131 64 L HA -0.184 4.156 4.340 0.000 0.000 0.210 64 L C 2.596 179.434 176.870 -0.054 0.000 1.092 64 L CA 1.619 56.439 54.840 -0.033 0.000 0.759 64 L CB -0.407 41.625 42.059 -0.044 0.000 0.903 64 L HN 0.550 nan 8.230 nan 0.000 0.435 65 E N 0.484 120.647 120.200 -0.061 0.000 2.153 65 E HA -0.213 4.137 4.350 0.000 0.000 0.194 65 E C 2.271 178.831 176.600 -0.067 0.000 0.988 65 E CA 0.961 57.327 56.400 -0.057 0.000 0.811 65 E CB 0.072 29.737 29.700 -0.058 0.000 0.746 65 E HN 0.506 nan 8.360 nan 0.000 0.466 66 L N 0.111 121.285 121.223 -0.082 0.000 2.095 66 L HA -0.093 4.247 4.340 0.000 0.000 0.204 66 L C 2.698 179.537 176.870 -0.051 0.000 1.080 66 L CA 0.512 55.291 54.840 -0.101 0.000 0.759 66 L CB -0.306 41.662 42.059 -0.152 0.000 0.914 66 L HN -0.005 nan 8.230 nan 0.000 0.439 67 R N 0.527 121.026 120.500 -0.000 0.000 2.081 67 R HA -0.084 4.256 4.340 0.000 0.000 0.235 67 R C 2.262 178.564 176.300 0.002 0.000 1.131 67 R CA 1.478 57.590 56.100 0.021 0.000 0.960 67 R CB -0.972 29.343 30.300 0.024 0.000 0.856 67 R HN 0.327 nan 8.270 nan 0.000 0.436 68 A N 0.858 123.668 122.820 -0.016 0.000 2.070 68 A HA 0.010 4.330 4.320 0.000 0.000 0.220 68 A C 1.944 179.516 177.584 -0.019 0.000 1.159 68 A CA 1.552 53.583 52.037 -0.011 0.000 0.656 68 A CB -0.224 18.766 19.000 -0.017 0.000 0.800 68 A HN 0.322 nan 8.150 nan 0.000 0.453 69 A N -1.833 120.966 122.820 -0.035 0.000 2.345 69 A HA 0.459 4.779 4.320 0.000 0.000 0.225 69 A C 1.530 179.087 177.584 -0.044 0.000 1.243 69 A CA 0.923 52.931 52.037 -0.047 0.000 0.875 69 A CB -0.792 18.164 19.000 -0.073 0.000 0.929 69 A HN 1.800 nan 8.150 nan 0.000 0.502 70 G N -0.252 108.531 108.800 -0.027 0.000 2.149 70 G HA2 -0.176 3.784 3.960 0.000 0.000 0.235 70 G HA3 -0.176 3.784 3.960 0.000 0.000 0.235 70 G C -0.098 174.790 174.900 -0.020 0.000 1.018 70 G CA 0.109 45.199 45.100 -0.017 0.000 0.728 70 G HN 0.324 nan 8.290 nan 0.000 0.508 71 I N 1.415 121.966 120.570 -0.031 0.000 2.337 71 I HA 0.271 4.441 4.170 0.000 0.000 0.291 71 I C 1.466 177.590 176.117 0.012 0.000 1.046 71 I CA -0.280 61.004 61.300 -0.027 0.000 1.324 71 I CB 0.955 38.892 38.000 -0.104 0.000 1.409 71 I HN 0.391 nan 8.210 nan 0.000 0.494 72 R N 4.499 125.013 120.500 0.024 0.000 2.509 72 R HA 0.421 4.761 4.340 0.000 0.000 0.300 72 R C 0.278 176.586 176.300 0.013 0.000 0.985 72 R CA -0.303 55.807 56.100 0.018 0.000 1.092 72 R CB -0.119 30.186 30.300 0.008 0.000 1.237 72 R HN 0.448 nan 8.270 nan 0.000 0.546 73 A N 2.914 125.767 122.820 0.054 0.000 2.406 73 A HA 0.440 4.760 4.320 0.000 0.000 0.243 73 A C -2.156 175.380 177.584 -0.081 0.000 1.082 73 A CA -1.213 50.842 52.037 0.031 0.000 0.786 73 A CB -0.147 18.941 19.000 0.147 0.000 1.029 73 A HN 0.096 nan 8.150 nan 0.000 0.495 74 P HA 0.267 nan 4.420 nan 0.000 0.264 74 P C -0.969 176.013 177.300 -0.531 0.000 1.193 74 P CA 0.672 63.333 63.100 -0.733 0.000 0.763 74 P CB 0.237 31.141 31.700 -1.327 0.000 0.810 75 I N 3.391 123.682 120.570 -0.466 0.000 2.436 75 I HA 0.313 4.483 4.170 0.000 0.000 0.289 75 I C -0.347 175.616 176.117 -0.257 0.000 1.010 75 I CA -1.033 60.137 61.300 -0.217 0.000 1.098 75 I CB 1.780 39.747 38.000 -0.056 0.000 1.266 75 I HN 0.150 nan 8.210 nan 0.000 0.434 76 L N 7.590 128.666 121.223 -0.246 0.000 2.295 76 L HA 0.502 4.842 4.340 0.000 0.000 0.285 76 L C -0.833 175.908 176.870 -0.215 0.000 1.035 76 L CA -0.121 54.570 54.840 -0.248 0.000 0.806 76 L CB 1.108 42.876 42.059 -0.485 0.000 1.214 76 L HN 0.454 nan 8.230 nan 0.000 0.426 77 L N 6.912 128.033 121.223 -0.170 0.000 2.312 77 L HA 0.197 4.537 4.340 0.000 0.000 0.287 77 L C 1.129 177.916 176.870 -0.138 0.000 1.091 77 L CA -0.208 54.542 54.840 -0.150 0.000 0.846 77 L CB 0.565 42.558 42.059 -0.111 0.000 1.219 77 L HN 0.793 nan 8.230 nan 0.000 0.439 78 L N 1.927 123.074 121.223 -0.126 0.000 2.187 78 L HA -0.160 4.180 4.340 0.000 0.000 0.213 78 L C 1.725 178.534 176.870 -0.102 0.000 1.100 78 L CA 1.491 56.262 54.840 -0.115 0.000 0.765 78 L CB -0.114 41.889 42.059 -0.094 0.000 0.904 78 L HN 0.686 nan 8.230 nan 0.000 0.437 79 E N -1.072 119.056 120.200 -0.120 0.000 2.489 79 E HA 0.214 4.564 4.350 0.000 0.000 0.204 79 E C 1.030 177.474 176.600 -0.260 0.000 1.006 79 E CA 0.313 56.615 56.400 -0.163 0.000 0.936 79 E CB 0.638 30.242 29.700 -0.159 0.000 1.002 79 E HN 0.410 nan 8.360 nan 0.000 0.488 80 G N 1.936 110.579 108.800 -0.262 0.000 2.598 80 G HA2 -0.310 3.650 3.960 0.000 0.000 0.244 80 G HA3 -0.310 3.650 3.960 0.000 0.000 0.244 80 G C -0.152 174.500 174.900 -0.413 0.000 1.302 80 G CA -0.187 44.724 45.100 -0.316 0.000 0.903 80 G HN 0.274 nan 8.290 nan 0.000 0.575 81 F N -1.028 118.769 119.950 -0.255 0.000 2.389 81 F HA 0.750 5.277 4.527 0.000 0.000 0.337 81 F C 1.017 176.712 175.800 -0.176 0.000 1.112 81 F CA -1.013 56.896 58.000 -0.152 0.000 1.192 81 F CB 0.405 39.401 39.000 -0.007 0.000 1.185 81 F HN 0.227 nan 8.300 nan 0.000 0.552 82 F N -0.346 119.827 119.950 0.371 0.000 2.437 82 F HA 0.246 4.773 4.527 0.000 0.000 0.288 82 F C 0.842 176.928 175.800 0.477 0.000 1.085 82 F CA 0.188 58.420 58.000 0.387 0.000 1.430 82 F CB 0.037 39.172 39.000 0.225 0.000 1.120 82 F HN 0.445 nan 8.300 nan 0.000 0.556 83 E N -0.383 120.176 120.200 0.599 0.000 2.212 83 E HA 0.493 4.843 4.350 0.000 0.000 0.268 83 E C 0.489 177.317 176.600 0.380 0.000 0.902 83 E CA -0.298 56.361 56.400 0.432 0.000 0.779 83 E CB 2.050 31.910 29.700 0.266 0.000 1.172 83 E HN 0.020 nan 8.360 nan 0.000 0.409 84 A N 2.686 125.670 122.820 0.274 0.000 1.972 84 A HA -0.179 4.141 4.320 0.000 0.000 0.219 84 A C 1.378 178.919 177.584 -0.072 0.000 1.169 84 A CA 1.728 53.789 52.037 0.040 0.000 0.635 84 A CB -0.329 18.725 19.000 0.090 0.000 0.810 84 A HN 0.728 nan 8.150 nan 0.000 0.446 85 D N -0.605 119.810 120.400 0.024 0.000 2.323 85 D HA -0.031 4.609 4.640 0.000 0.000 0.239 85 D C 0.905 177.224 176.300 0.031 0.000 1.129 85 D CA 0.368 54.375 54.000 0.012 0.000 0.865 85 D CB -0.227 40.594 40.800 0.035 0.000 0.913 85 D HN 0.621 nan 8.370 nan 0.000 0.517 86 E N 0.281 120.505 120.200 0.040 0.000 2.299 86 E HA 0.025 4.375 4.350 0.000 0.000 0.193 86 E C 2.150 178.771 176.600 0.036 0.000 0.998 86 E CA -0.018 56.437 56.400 0.091 0.000 0.851 86 E CB 0.176 29.996 29.700 0.199 0.000 0.795 86 E HN 0.287 nan 8.360 nan 0.000 0.492 87 L N 1.569 122.726 121.223 -0.109 0.000 2.013 87 L HA -0.176 4.164 4.340 0.000 0.000 0.212 87 L C -0.556 176.295 176.870 -0.032 0.000 1.073 87 L CA 1.415 56.176 54.840 -0.131 0.000 0.753 87 L CB -1.533 40.363 42.059 -0.272 0.000 0.890 87 L HN 0.162 nan 8.230 nan 0.000 0.432 88 P HA -0.202 nan 4.420 nan 0.000 0.216 88 P C 1.856 179.164 177.300 0.013 0.000 1.150 88 P CA 1.619 64.713 63.100 -0.010 0.000 0.843 88 P CB 0.025 31.720 31.700 -0.008 0.000 0.787 89 L N -1.306 119.958 121.223 0.069 0.000 2.156 89 L HA -0.083 4.257 4.340 0.000 0.000 0.208 89 L C 2.745 179.711 176.870 0.160 0.000 1.095 89 L CA 0.979 55.909 54.840 0.151 0.000 0.770 89 L CB -0.701 41.491 42.059 0.222 0.000 0.914 89 L HN -0.152 nan 8.230 nan 0.000 0.439 90 I N -1.046 119.623 120.570 0.166 0.000 2.226 90 I HA -0.255 3.915 4.170 0.000 0.000 0.245 90 I C 2.372 178.506 176.117 0.028 0.000 1.100 90 I CA 1.020 62.438 61.300 0.196 0.000 1.374 90 I CB -0.272 37.869 38.000 0.234 0.000 1.057 90 I HN 0.009 nan 8.210 nan 0.000 0.413 91 V N 0.805 120.723 119.914 0.007 0.000 2.307 91 V HA -0.277 3.843 4.120 0.000 0.000 0.245 91 V C 2.520 178.551 176.094 -0.105 0.000 1.045 91 V CA 2.184 64.468 62.300 -0.027 0.000 1.024 91 V CB -0.725 31.085 31.823 -0.021 0.000 0.651 91 V HN 0.461 nan 8.190 nan 0.000 0.449 92 E N 0.204 120.313 120.200 -0.151 0.000 2.070 92 E HA -0.262 4.088 4.350 0.000 0.000 0.197 92 E C 1.968 178.289 176.600 -0.466 0.000 1.004 92 E CA 1.899 58.122 56.400 -0.296 0.000 0.805 92 E CB -0.235 29.264 29.700 -0.336 0.000 0.744 92 E HN 0.732 nan 8.360 nan 0.000 0.451 93 H N -0.579 118.265 119.070 -0.376 0.000 2.549 93 H HA 0.119 4.675 4.556 0.000 0.000 0.279 93 H C -0.074 174.813 175.328 -0.736 0.000 1.018 93 H CA 0.698 56.359 56.048 -0.645 0.000 1.175 93 H CB 0.113 29.238 29.762 -1.061 0.000 1.485 93 H HN 0.246 nan 8.280 nan 0.000 0.543 94 D N 0.579 120.774 120.400 -0.342 0.000 2.737 94 D HA -0.215 4.425 4.640 0.000 0.000 0.238 94 D C -1.034 175.202 176.300 -0.107 0.000 1.157 94 D CA 0.233 54.143 54.000 -0.149 0.000 0.694 94 D CB -1.507 39.240 40.800 -0.087 0.000 1.021 94 D HN 0.053 nan 8.370 nan 0.000 0.420 95 F N 0.371 120.364 119.950 0.072 0.000 2.385 95 F HA 0.469 4.996 4.527 0.000 0.000 0.336 95 F C 0.761 176.676 175.800 0.191 0.000 1.100 95 F CA -0.930 57.089 58.000 0.032 0.000 1.116 95 F CB 0.564 39.593 39.000 0.047 0.000 1.166 95 F HN -0.025 nan 8.300 nan 0.000 0.511 96 W N 2.603 123.975 121.300 0.121 0.000 2.287 96 W HA 0.414 5.074 4.660 0.000 0.000 0.313 96 W C -0.086 176.413 176.519 -0.034 0.000 1.267 96 W CA -1.365 55.983 57.345 0.004 0.000 1.201 96 W CB 0.950 30.295 29.460 -0.191 0.000 1.196 96 W HN 0.366 nan 8.180 nan 0.000 0.536 97 C N 4.131 123.585 119.300 0.257 0.000 2.417 97 C HA 0.727 5.187 4.460 0.000 0.000 0.324 97 C C -0.188 174.868 174.990 0.109 0.000 1.240 97 C CA -0.497 58.617 59.018 0.158 0.000 1.632 97 C CB 0.414 28.291 27.740 0.228 0.000 2.241 97 C HN 0.347 nan 8.230 nan 0.000 0.499 98 V N 6.245 126.167 119.914 0.013 0.000 2.439 98 V HA 0.431 4.551 4.120 0.000 0.000 0.282 98 V C -0.087 175.946 176.094 -0.101 0.000 1.039 98 V CA -0.235 62.079 62.300 0.024 0.000 0.913 98 V CB 1.696 33.524 31.823 0.009 0.000 0.983 98 V HN 0.708 nan 8.190 nan 0.000 0.460 99 V N 5.661 125.529 119.914 -0.078 0.000 2.334 99 V HA 0.350 4.470 4.120 0.000 0.000 0.281 99 V C 0.746 176.747 176.094 -0.156 0.000 1.016 99 V CA -0.410 61.739 62.300 -0.252 0.000 0.832 99 V CB 0.953 32.663 31.823 -0.188 0.000 0.999 99 V HN 1.057 nan 8.190 nan 0.000 0.439 100 H N 1.413 120.357 119.070 -0.210 0.000 2.827 100 H HA 0.416 4.972 4.556 0.000 0.000 0.269 100 H C 0.134 175.410 175.328 -0.087 0.000 1.031 100 H CA -0.293 55.694 56.048 -0.102 0.000 1.202 100 H CB 1.136 30.842 29.762 -0.093 0.000 1.511 100 H HN 0.502 nan 8.280 nan 0.000 0.517 101 S N 0.369 115.810 115.700 -0.431 0.000 2.556 101 S HA 0.283 4.753 4.470 0.000 0.000 0.271 101 S C 0.889 175.300 174.600 -0.315 0.000 1.135 101 S CA -0.740 57.317 58.200 -0.238 0.000 0.858 101 S CB 2.377 65.518 63.200 -0.097 0.000 1.114 101 S HN 0.131 nan 8.310 nan 0.000 0.468 102 L N 1.758 122.943 121.223 -0.063 0.000 2.191 102 L HA -0.102 4.238 4.340 0.000 0.000 0.212 102 L C 2.437 179.307 176.870 0.001 0.000 1.103 102 L CA 1.288 56.116 54.840 -0.020 0.000 0.769 102 L CB -0.258 41.839 42.059 0.064 0.000 0.908 102 L HN 0.826 nan 8.230 nan 0.000 0.438 103 W N 0.288 121.579 121.300 -0.015 0.000 2.402 103 W HA -0.144 4.516 4.660 0.000 0.000 0.286 103 W C 1.731 178.267 176.519 0.028 0.000 1.221 103 W CA 0.466 57.816 57.345 0.008 0.000 1.257 103 W CB -0.880 28.588 29.460 0.014 0.000 1.120 103 W HN 0.251 nan 8.180 nan 0.000 0.551 104 Q N 0.774 120.001 119.800 -0.956 0.000 2.172 104 Q HA -0.164 4.176 4.340 0.000 0.000 0.200 104 Q C 2.405 178.298 176.000 -0.178 0.000 0.964 104 Q CA 1.558 56.852 55.803 -0.850 0.000 0.855 104 Q CB -0.307 27.545 28.738 -1.476 0.000 0.918 104 Q HN 0.220 nan 8.270 nan 0.000 0.444 105 L N 1.183 122.291 121.223 -0.191 0.000 2.056 105 L HA -0.156 4.184 4.340 0.000 0.000 0.207 105 L C 1.305 178.176 176.870 0.002 0.000 1.078 105 L CA 1.905 56.704 54.840 -0.069 0.000 0.749 105 L CB -0.406 41.608 42.059 -0.075 0.000 0.901 105 L HN 0.050 nan 8.230 nan 0.000 0.433 106 D N 0.108 120.530 120.400 0.037 0.000 2.144 106 D HA -0.140 4.500 4.640 0.000 0.000 0.199 106 D C 2.220 178.569 176.300 0.081 0.000 0.984 106 D CA 1.525 55.567 54.000 0.070 0.000 0.834 106 D CB -0.226 40.641 40.800 0.112 0.000 0.955 106 D HN 0.502 nan 8.370 nan 0.000 0.465 107 A N 0.509 123.407 122.820 0.130 0.000 1.902 107 A HA -0.117 4.204 4.320 0.000 0.000 0.217 107 A C 2.345 179.928 177.584 -0.001 0.000 1.181 107 A CA 0.876 52.975 52.037 0.103 0.000 0.623 107 A CB -0.621 18.501 19.000 0.205 0.000 0.818 107 A HN 0.201 nan 8.150 nan 0.000 0.443 108 I N -0.990 119.589 120.570 0.015 0.000 2.286 108 I HA -0.197 3.973 4.170 0.000 0.000 0.245 108 I C 2.486 178.589 176.117 -0.023 0.000 1.104 108 I CA 1.530 62.814 61.300 -0.027 0.000 1.397 108 I CB -0.323 37.686 38.000 0.015 0.000 1.072 108 I HN 0.430 nan 8.210 nan 0.000 0.417 109 E N 0.580 120.775 120.200 -0.009 0.000 2.153 109 E HA -0.251 4.099 4.350 0.000 0.000 0.194 109 E C 2.146 178.740 176.600 -0.011 0.000 0.988 109 E CA 1.157 57.549 56.400 -0.014 0.000 0.811 109 E CB 0.163 29.858 29.700 -0.009 0.000 0.746 109 E HN 0.531 nan 8.360 nan 0.000 0.466 110 Q N -0.365 119.433 119.800 -0.003 0.000 2.259 110 Q HA 0.166 4.506 4.340 0.000 0.000 0.201 110 Q C 0.456 176.449 176.000 -0.011 0.000 0.938 110 Q CA 0.322 56.125 55.803 -0.000 0.000 0.872 110 Q CB 0.432 29.179 28.738 0.015 0.000 0.971 110 Q HN 0.123 nan 8.270 nan 0.000 0.494 111 A N 1.072 123.878 122.820 -0.024 0.000 2.366 111 A HA 0.355 4.675 4.320 0.000 0.000 0.249 111 A C -0.289 177.275 177.584 -0.033 0.000 1.084 111 A CA -0.121 51.895 52.037 -0.036 0.000 0.794 111 A CB 0.382 19.342 19.000 -0.066 0.000 1.034 111 A HN 0.052 nan 8.150 nan 0.000 0.491 112 R N 0.285 120.767 120.500 -0.030 0.000 2.288 112 R HA 0.558 4.898 4.340 0.000 0.000 0.326 112 R C -1.383 174.900 176.300 -0.028 0.000 0.959 112 R CA -0.315 55.770 56.100 -0.026 0.000 0.834 112 R CB 0.696 30.984 30.300 -0.019 0.000 1.157 112 R HN 0.535 nan 8.270 nan 0.000 0.470 113 L N 1.673 122.880 121.223 -0.027 0.000 2.334 113 L HA 0.511 4.851 4.340 0.000 0.000 0.275 113 L C 1.274 178.132 176.870 -0.019 0.000 1.036 113 L CA -0.069 54.755 54.840 -0.026 0.000 0.807 113 L CB 1.639 43.683 42.059 -0.024 0.000 1.231 113 L HN 0.758 nan 8.230 nan 0.000 0.438 114 A N 2.651 125.459 122.820 -0.020 0.000 1.930 114 A HA -0.012 4.308 4.320 0.000 0.000 0.217 114 A C 0.718 178.295 177.584 -0.012 0.000 1.175 114 A CA 1.325 53.351 52.037 -0.018 0.000 0.627 114 A CB -0.125 18.860 19.000 -0.024 0.000 0.815 114 A HN 0.660 nan 8.150 nan 0.000 0.443 115 K N -0.579 119.818 120.400 -0.006 0.000 2.469 115 K HA 0.443 4.763 4.320 0.000 0.000 0.254 115 K C -3.077 173.535 176.600 0.021 0.000 0.939 115 K CA -2.260 54.032 56.287 0.008 0.000 0.812 115 K CB 2.257 34.765 32.500 0.013 0.000 1.301 115 K HN -0.013 nan 8.250 nan 0.000 0.433 116 P HA 0.167 nan 4.420 nan 0.000 0.271 116 P C -0.708 176.644 177.300 0.087 0.000 1.218 116 P CA -0.228 62.891 63.100 0.032 0.000 0.780 116 P CB 0.417 32.123 31.700 0.009 0.000 0.901 117 I N -1.775 118.850 120.570 0.091 0.000 2.693 117 I HA 0.462 4.632 4.170 0.000 0.000 0.303 117 I C 0.139 176.363 176.117 0.179 0.000 1.025 117 I CA -1.168 60.242 61.300 0.182 0.000 1.086 117 I CB 1.549 39.646 38.000 0.162 0.000 1.268 117 I HN 0.282 nan 8.210 nan 0.000 0.440 118 H N 3.530 122.635 119.070 0.058 0.000 2.803 118 H HA 0.359 4.915 4.556 0.000 0.000 0.330 118 H C -0.796 174.571 175.328 0.065 0.000 1.057 118 H CA -0.437 55.578 56.048 -0.056 0.000 1.458 118 H CB 1.829 31.353 29.762 -0.396 0.000 1.470 118 H HN 0.364 nan 8.280 nan 0.000 0.560 119 V N 4.765 124.740 119.914 0.101 0.000 2.409 119 V HA 0.025 4.145 4.120 0.000 0.000 0.291 119 V C -0.815 175.382 176.094 0.172 0.000 1.020 119 V CA -0.758 61.624 62.300 0.136 0.000 0.848 119 V CB 1.181 33.014 31.823 0.017 0.000 0.990 119 V HN 0.703 nan 8.190 nan 0.000 0.430 120 W N 5.901 127.167 121.300 -0.056 0.000 2.289 120 W HA 0.561 5.221 4.660 0.000 0.000 0.342 120 W C -0.031 176.489 176.519 0.001 0.000 0.958 120 W CA -0.663 56.656 57.345 -0.043 0.000 1.492 120 W CB 0.787 30.218 29.460 -0.048 0.000 1.336 120 W HN 0.409 nan 8.180 nan 0.000 0.371 124 D N 1.512 121.863 120.400 -0.081 0.000 2.365 124 D HA 0.254 4.894 4.640 0.000 0.000 0.237 124 D C 0.717 176.917 176.300 -0.165 0.000 1.190 124 D CA 0.222 54.169 54.000 -0.088 0.000 0.867 124 D CB 1.168 41.970 40.800 0.003 0.000 1.050 124 D HN 0.466 nan 8.370 nan 0.000 0.491 125 S N 1.951 117.536 115.700 -0.193 0.000 2.568 125 S HA 0.432 4.902 4.470 0.000 0.000 0.232 125 S C 1.302 175.772 174.600 -0.216 0.000 0.975 125 S CA 0.079 58.167 58.200 -0.186 0.000 0.949 125 S CB 0.639 63.750 63.200 -0.148 0.000 0.829 125 S HN 0.640 nan 8.310 nan 0.000 0.479 126 G N 1.045 109.636 108.800 -0.348 0.000 3.246 126 G HA2 -0.133 3.827 3.960 0.000 0.000 0.218 126 G HA3 -0.133 3.827 3.960 0.000 0.000 0.218 126 G C 0.583 175.156 174.900 -0.544 0.000 0.978 126 G CA 0.179 45.006 45.100 -0.456 0.000 0.825 126 G HN 0.301 nan 8.290 nan 0.000 0.546 127 M N 0.201 119.579 119.600 -0.370 0.000 2.288 127 M HA 0.168 4.648 4.480 0.000 0.000 0.266 127 M C 1.250 177.477 176.300 -0.123 0.000 1.072 127 M CA 1.715 56.898 55.300 -0.194 0.000 1.132 127 M CB -0.190 32.358 32.600 -0.087 0.000 1.386 127 M HN 0.353 nan 8.290 nan 0.000 0.432 128 H N -0.634 118.432 119.070 -0.006 0.000 2.903 128 H HA -0.194 4.362 4.556 0.000 0.000 0.285 128 H C 0.817 176.149 175.328 0.007 0.000 1.231 128 H CA 1.206 57.257 56.048 0.005 0.000 1.135 128 H CB -1.824 27.944 29.762 0.010 0.000 1.328 128 H HN 0.535 nan 8.280 nan 0.000 0.388 129 R N 0.538 121.081 120.500 0.072 0.000 1.841 129 R HA 0.310 4.650 4.340 0.000 0.000 0.157 129 R C 0.820 177.132 176.300 0.019 0.000 1.339 129 R CA 0.813 56.932 56.100 0.033 0.000 1.482 129 R CB 0.373 30.673 30.300 -0.000 0.000 0.808 129 R HN 0.087 nan 8.270 nan 0.000 0.551 130 V N -1.652 118.238 119.914 -0.040 0.000 2.732 130 V HA 0.897 5.017 4.120 0.000 0.000 0.310 130 V C -0.153 175.953 176.094 0.020 0.000 1.053 130 V CA -0.153 62.109 62.300 -0.063 0.000 0.957 130 V CB 1.084 32.673 31.823 -0.391 0.000 1.018 130 V HN 0.867 nan 8.190 nan 0.000 0.452 131 G N 1.630 110.503 108.800 0.121 0.000 2.317 131 G HA2 0.216 4.176 3.960 0.000 0.000 0.445 131 G HA3 0.216 4.176 3.960 0.000 0.000 0.445 131 G C -1.383 173.603 174.900 0.144 0.000 1.486 131 G CA -0.795 44.382 45.100 0.128 0.000 0.991 131 G HN 0.966 nan 8.290 nan 0.000 0.660 132 L N 1.485 122.800 121.223 0.153 0.000 2.439 132 L HA 0.405 4.745 4.340 0.000 0.000 0.261 132 L C 1.183 178.143 176.870 0.151 0.000 1.153 132 L CA -1.075 53.874 54.840 0.181 0.000 0.808 132 L CB 0.957 43.169 42.059 0.255 0.000 1.126 132 L HN 0.703 nan 8.230 nan 0.000 0.460 133 H N 2.489 121.617 119.070 0.097 0.000 2.764 133 H HA 0.074 4.630 4.556 0.000 0.000 0.341 133 H C -1.839 173.528 175.328 0.064 0.000 1.072 133 H CA -1.427 54.665 56.048 0.074 0.000 1.444 133 H CB 1.800 31.606 29.762 0.073 0.000 1.458 133 H HN 0.305 nan 8.280 nan 0.000 0.572 134 P HA -0.189 nan 4.420 nan 0.000 0.217 134 P C 0.979 178.372 177.300 0.155 0.000 1.151 134 P CA 1.318 64.388 63.100 -0.050 0.000 0.849 134 P CB 0.391 31.991 31.700 -0.166 0.000 0.787 135 N N -0.858 118.053 118.700 0.353 0.000 2.289 135 N HA -0.110 4.630 4.740 0.000 0.000 0.184 135 N C 1.005 176.620 175.510 0.175 0.000 1.016 135 N CA 1.136 54.334 53.050 0.247 0.000 0.872 135 N CB -0.622 37.996 38.487 0.218 0.000 0.973 135 N HN 0.276 nan 8.380 nan 0.000 0.433 136 D N -1.211 119.316 120.400 0.211 0.000 2.367 136 D HA -0.022 4.618 4.640 0.000 0.000 0.207 136 D C 1.494 177.901 176.300 0.178 0.000 1.034 136 D CA -0.061 54.034 54.000 0.159 0.000 0.861 136 D CB -0.059 40.831 40.800 0.150 0.000 0.943 136 D HN 0.308 nan 8.370 nan 0.000 0.515 137 Y N 2.103 122.434 120.300 0.053 0.000 2.128 137 Y HA -0.253 4.297 4.550 0.000 0.000 0.284 137 Y C 2.538 178.457 175.900 0.031 0.000 1.154 137 Y CA 1.594 59.712 58.100 0.030 0.000 1.149 137 Y CB 0.317 38.771 38.460 -0.010 0.000 0.976 137 Y HN -0.197 nan 8.280 nan 0.000 0.505 138 K N -0.114 120.326 120.400 0.068 0.000 2.025 138 K HA -0.175 4.145 4.320 0.000 0.000 0.207 138 K C 2.198 178.814 176.600 0.027 0.000 1.049 138 K CA 1.114 57.398 56.287 -0.006 0.000 0.933 138 K CB -0.332 32.170 32.500 0.003 0.000 0.714 138 K HN 0.344 nan 8.250 nan 0.000 0.438 139 A N 0.945 123.786 122.820 0.036 0.000 1.933 139 A HA -0.097 4.223 4.320 0.000 0.000 0.218 139 A C 2.278 179.868 177.584 0.011 0.000 1.175 139 A CA 1.839 53.892 52.037 0.028 0.000 0.628 139 A CB -0.719 18.299 19.000 0.031 0.000 0.814 139 A HN 0.475 nan 8.150 nan 0.000 0.444 140 A N -1.741 121.080 122.820 0.002 0.000 1.969 140 A HA -0.056 4.264 4.320 0.000 0.000 0.218 140 A C 2.099 179.643 177.584 -0.067 0.000 1.169 140 A CA 1.499 53.517 52.037 -0.032 0.000 0.635 140 A CB -0.716 18.267 19.000 -0.028 0.000 0.810 140 A HN 0.715 nan 8.150 nan 0.000 0.445 141 Y N 0.468 120.640 120.300 -0.212 0.000 2.163 141 Y HA -0.226 4.324 4.550 0.000 0.000 0.288 141 Y C 2.484 178.297 175.900 -0.145 0.000 1.136 141 Y CA 2.323 60.287 58.100 -0.226 0.000 1.147 141 Y CB -0.271 38.015 38.460 -0.290 0.000 0.987 141 Y HN 0.402 nan 8.280 nan 0.000 0.509 142 Q N -0.321 119.486 119.800 0.011 0.000 2.224 142 Q HA -0.160 4.180 4.340 0.000 0.000 0.203 142 Q C 2.252 178.188 176.000 -0.106 0.000 0.970 142 Q CA 1.312 57.091 55.803 -0.041 0.000 0.865 142 Q CB -0.074 28.682 28.738 0.030 0.000 0.922 142 Q HN 0.492 nan 8.270 nan 0.000 0.445 143 R N 0.022 120.465 120.500 -0.095 0.000 2.073 143 R HA -0.037 4.303 4.340 0.000 0.000 0.229 143 R C 2.173 178.397 176.300 -0.127 0.000 1.120 143 R CA 0.829 56.876 56.100 -0.088 0.000 0.967 143 R CB -0.099 30.167 30.300 -0.057 0.000 0.862 143 R HN 0.206 nan 8.270 nan 0.000 0.436 144 L N 0.387 121.499 121.223 -0.184 0.000 2.093 144 L HA -0.164 4.176 4.340 0.000 0.000 0.208 144 L C 2.690 179.402 176.870 -0.263 0.000 1.085 144 L CA 1.243 55.955 54.840 -0.213 0.000 0.755 144 L CB -0.312 41.597 42.059 -0.251 0.000 0.904 144 L HN 0.248 nan 8.230 nan 0.000 0.435 145 Q N 0.029 119.609 119.800 -0.367 0.000 2.119 145 Q HA -0.126 4.214 4.340 0.000 0.000 0.201 145 Q C 1.488 177.371 176.000 -0.194 0.000 0.972 145 Q CA 1.405 57.000 55.803 -0.347 0.000 0.847 145 Q CB 0.049 28.527 28.738 -0.434 0.000 0.903 145 Q HN 0.497 nan 8.270 nan 0.000 0.433 146 A N -0.424 122.306 122.820 -0.150 0.000 2.684 146 A HA 0.185 4.505 4.320 0.000 0.000 0.288 146 A C 1.199 178.735 177.584 -0.081 0.000 1.337 146 A CA 0.151 52.131 52.037 -0.096 0.000 0.946 146 A CB 0.139 19.096 19.000 -0.072 0.000 1.093 146 A HN 0.266 nan 8.150 nan 0.000 0.543 147 S N -0.583 115.061 115.700 -0.093 0.000 2.468 147 S HA 0.335 4.805 4.470 0.000 0.000 0.226 147 S C 1.493 176.058 174.600 -0.059 0.000 1.051 147 S CA 1.457 59.614 58.200 -0.072 0.000 0.943 147 S CB -0.123 63.030 63.200 -0.078 0.000 0.810 147 S HN 1.948 nan 8.310 nan 0.000 0.509 148 A N 0.712 123.493 122.820 -0.065 0.000 3.396 148 A HA -0.221 4.099 4.320 0.000 0.000 0.267 148 A C 1.035 178.593 177.584 -0.043 0.000 1.139 148 A CA 1.438 53.445 52.037 -0.051 0.000 1.115 148 A CB -2.642 16.334 19.000 -0.040 0.000 1.133 148 A HN 0.692 nan 8.150 nan 0.000 0.920 149 N N -1.161 117.511 118.700 -0.047 0.000 2.220 149 N HA 0.294 5.034 4.740 0.000 0.000 0.195 149 N C -0.383 175.107 175.510 -0.034 0.000 1.123 149 N CA 0.646 53.676 53.050 -0.035 0.000 0.874 149 N CB 0.712 39.179 38.487 -0.033 0.000 0.995 149 N HN 0.351 nan 8.380 nan 0.000 0.498 150 V N 0.784 120.661 119.914 -0.063 0.000 2.495 150 V HA 0.426 4.546 4.120 0.000 0.000 0.298 150 V C 0.517 176.541 176.094 -0.116 0.000 1.031 150 V CA -0.384 61.864 62.300 -0.085 0.000 0.871 150 V CB 1.508 33.257 31.823 -0.124 0.000 0.988 150 V HN 0.042 nan 8.190 nan 0.000 0.432 151 A N 4.212 126.948 122.820 -0.139 0.000 1.973 151 A HA 0.344 4.664 4.320 0.000 0.000 0.210 151 A C 0.854 178.256 177.584 -0.304 0.000 1.200 151 A CA 0.643 52.573 52.037 -0.179 0.000 0.707 151 A CB 0.284 19.213 19.000 -0.117 0.000 0.862 151 A HN 0.649 nan 8.150 nan 0.000 0.461 152 K N -0.333 119.788 120.400 -0.466 0.000 2.498 152 K HA 0.661 4.981 4.320 0.000 0.000 0.254 152 K C -2.043 174.323 176.600 -0.391 0.000 0.933 152 K CA -0.536 55.449 56.287 -0.503 0.000 0.806 152 K CB 1.665 33.660 32.500 -0.843 0.000 1.301 152 K HN 0.222 nan 8.250 nan 0.000 0.432 153 I N 3.356 123.748 120.570 -0.296 0.000 2.436 153 I HA 0.345 4.515 4.170 0.000 0.000 0.289 153 I C -0.809 175.149 176.117 -0.265 0.000 1.010 153 I CA -1.159 60.000 61.300 -0.235 0.000 1.098 153 I CB 1.983 39.873 38.000 -0.183 0.000 1.266 153 I HN 0.160 nan 8.210 nan 0.000 0.434 154 V N 6.948 126.596 119.914 -0.444 0.000 2.495 154 V HA 0.420 4.540 4.120 0.000 0.000 0.298 154 V C 0.020 175.923 176.094 -0.318 0.000 1.031 154 V CA -0.648 61.276 62.300 -0.628 0.000 0.871 154 V CB 1.922 32.745 31.823 -1.668 0.000 0.988 154 V HN 0.476 nan 8.190 nan 0.000 0.432 155 L N 6.536 127.703 121.223 -0.093 0.000 2.290 155 L HA 0.664 5.004 4.340 0.000 0.000 0.284 155 L C -0.005 177.008 176.870 0.237 0.000 1.078 155 L CA 0.018 54.982 54.840 0.207 0.000 0.815 155 L CB 0.813 43.074 42.059 0.335 0.000 1.162 155 L HN 0.751 nan 8.230 nan 0.000 0.435 156 M N 1.979 121.744 119.600 0.275 0.000 2.593 156 M HA 0.832 5.312 4.480 0.000 0.000 0.290 156 M C -0.848 175.452 176.300 -0.001 0.000 1.244 156 M CA -0.366 54.992 55.300 0.096 0.000 0.857 156 M CB 2.512 35.243 32.600 0.219 0.000 1.738 156 M HN 0.402 nan 8.290 nan 0.000 0.461 157 S N -0.938 114.618 115.700 -0.240 0.000 2.672 157 S HA 0.564 5.034 4.470 0.000 0.000 0.271 157 S C -2.118 172.315 174.600 -0.278 0.000 1.171 157 S CA -0.604 57.431 58.200 -0.274 0.000 0.817 157 S CB 1.852 64.787 63.200 -0.443 0.000 1.150 157 S HN 0.959 nan 8.310 nan 0.000 0.478 158 H N 0.173 118.985 119.070 -0.429 0.000 2.851 158 H HA 0.505 5.061 4.556 0.000 0.000 0.372 158 H C -1.633 173.427 175.328 -0.446 0.000 1.158 158 H CA -0.529 55.282 56.048 -0.396 0.000 1.159 158 H CB 1.038 30.693 29.762 -0.179 0.000 1.757 158 H HN 0.448 nan 8.280 nan 0.000 0.546 159 F N 1.444 121.043 119.950 -0.585 0.000 2.385 159 F HA 0.303 4.830 4.527 0.000 0.000 0.336 159 F C 1.215 176.771 175.800 -0.407 0.000 1.100 159 F CA 0.037 57.766 58.000 -0.452 0.000 1.116 159 F CB 1.517 40.250 39.000 -0.446 0.000 1.166 159 F HN 0.663 nan 8.300 nan 0.000 0.511 160 A N 3.150 125.944 122.820 -0.044 0.000 1.943 160 A HA 0.135 4.455 4.320 0.000 0.000 0.213 160 A C 1.183 178.739 177.584 -0.046 0.000 1.181 160 A CA 0.606 52.611 52.037 -0.054 0.000 0.653 160 A CB -0.013 18.958 19.000 -0.048 0.000 0.833 160 A HN 0.743 nan 8.150 nan 0.000 0.451 161 R N -1.053 119.416 120.500 -0.052 0.000 2.718 161 R HA 0.407 4.747 4.340 0.000 0.000 0.307 161 R C 0.587 176.846 176.300 -0.069 0.000 1.244 161 R CA 0.448 56.526 56.100 -0.036 0.000 1.348 161 R CB 0.633 30.926 30.300 -0.011 0.000 1.304 161 R HN 0.308 nan 8.270 nan 0.000 0.663 162 A N 1.027 123.774 122.820 -0.122 0.000 2.123 162 A HA -0.112 4.208 4.320 0.000 0.000 0.214 162 A C 1.587 179.315 177.584 0.241 0.000 1.152 162 A CA 0.965 52.887 52.037 -0.190 0.000 0.728 162 A CB 0.017 18.792 19.000 -0.375 0.000 0.814 162 A HN 0.458 nan 8.150 nan 0.000 0.464 163 D N 0.317 120.814 120.400 0.161 0.000 2.347 163 D HA -0.068 4.572 4.640 0.000 0.000 0.213 163 D C 0.006 176.535 176.300 0.381 0.000 0.985 163 D CA 0.323 54.446 54.000 0.205 0.000 0.879 163 D CB -0.274 40.543 40.800 0.028 0.000 0.919 163 D HN 0.517 nan 8.370 nan 0.000 0.526 164 E N 0.584 120.960 120.200 0.294 0.000 2.046 164 E HA 0.268 4.618 4.350 0.000 0.000 0.279 164 E C 0.791 177.580 176.600 0.316 0.000 0.989 164 E CA -0.301 56.249 56.400 0.250 0.000 0.798 164 E CB 1.827 31.619 29.700 0.153 0.000 1.086 164 E HN 0.134 nan 8.360 nan 0.000 0.399 165 L N 2.161 123.503 121.223 0.199 0.000 2.240 165 L HA -0.108 4.232 4.340 0.000 0.000 0.211 165 L C 1.274 178.136 176.870 -0.014 0.000 1.106 165 L CA 0.885 55.730 54.840 0.009 0.000 0.793 165 L CB -0.012 41.898 42.059 -0.248 0.000 0.927 165 L HN 0.453 nan 8.230 nan 0.000 0.446 166 D N -0.876 119.544 120.400 0.033 0.000 2.183 166 D HA -0.099 4.541 4.640 0.000 0.000 0.203 166 D C 0.941 177.293 176.300 0.085 0.000 0.969 166 D CA 0.479 54.496 54.000 0.029 0.000 0.842 166 D CB 0.068 40.880 40.800 0.021 0.000 0.957 166 D HN 0.244 nan 8.370 nan 0.000 0.484 167 C N 1.065 120.448 119.300 0.139 0.000 2.637 167 C HA 0.235 4.695 4.460 0.000 0.000 0.418 167 C C 1.968 177.075 174.990 0.194 0.000 1.319 167 C CA 0.214 59.312 59.018 0.134 0.000 1.949 167 C CB 0.072 27.877 27.740 0.108 0.000 2.639 167 C HN 0.459 nan 8.230 nan 0.000 0.594 168 T N 2.251 116.877 114.554 0.121 0.000 3.122 168 T HA 0.081 4.431 4.350 0.000 0.000 0.250 168 T C 1.582 176.297 174.700 0.024 0.000 1.067 168 T CA -0.015 62.155 62.100 0.117 0.000 0.966 168 T CB -0.322 68.599 68.868 0.088 0.000 1.002 168 T HN 0.744 nan 8.240 nan 0.000 0.542 169 R N 2.216 122.710 120.500 -0.011 0.000 2.105 169 R HA 0.006 4.346 4.340 0.000 0.000 0.239 169 R C 2.282 178.509 176.300 -0.121 0.000 1.135 169 R CA 1.750 57.821 56.100 -0.049 0.000 0.967 169 R CB -1.123 29.154 30.300 -0.037 0.000 0.861 169 R HN 0.415 nan 8.270 nan 0.000 0.442 170 S N -0.584 114.920 115.700 -0.327 0.000 2.370 170 S HA -0.116 4.354 4.470 0.000 0.000 0.226 170 S C 1.924 176.314 174.600 -0.350 0.000 1.033 170 S CA 1.411 59.221 58.200 -0.650 0.000 1.011 170 S CB -0.308 61.842 63.200 -1.751 0.000 0.852 170 S HN 0.165 nan 8.310 nan 0.000 0.457 171 V N 1.937 121.719 119.914 -0.220 0.000 2.358 171 V HA -0.175 3.945 4.120 0.000 0.000 0.246 171 V C 2.337 178.437 176.094 0.009 0.000 1.047 171 V CA 1.619 63.900 62.300 -0.032 0.000 1.035 171 V CB -0.707 31.152 31.823 0.060 0.000 0.658 171 V HN 0.485 nan 8.190 nan 0.000 0.452 172 E N -0.200 119.999 120.200 -0.003 0.000 2.077 172 E HA -0.264 4.086 4.350 0.000 0.000 0.193 172 E C 2.361 178.970 176.600 0.014 0.000 0.989 172 E CA 1.373 57.778 56.400 0.008 0.000 0.800 172 E CB -0.159 29.540 29.700 -0.002 0.000 0.746 172 E HN 0.669 nan 8.360 nan 0.000 0.452 173 Q N 0.221 120.037 119.800 0.027 0.000 2.119 173 Q HA -0.123 4.217 4.340 0.000 0.000 0.201 173 Q C 2.396 178.437 176.000 0.070 0.000 0.972 173 Q CA 1.098 56.919 55.803 0.031 0.000 0.847 173 Q CB 0.050 28.825 28.738 0.062 0.000 0.903 173 Q HN 0.164 nan 8.270 nan 0.000 0.433 174 V N 1.065 121.061 119.914 0.137 0.000 2.295 174 V HA -0.287 3.833 4.120 0.000 0.000 0.246 174 V C 2.308 178.485 176.094 0.140 0.000 1.049 174 V CA 1.876 64.272 62.300 0.161 0.000 1.024 174 V CB -0.966 30.953 31.823 0.159 0.000 0.648 174 V HN 0.388 nan 8.190 nan 0.000 0.447 175 A N -0.334 122.535 122.820 0.081 0.000 1.902 175 A HA -0.164 4.156 4.320 0.000 0.000 0.217 175 A C 2.389 179.988 177.584 0.025 0.000 1.181 175 A CA 2.103 54.169 52.037 0.048 0.000 0.623 175 A CB -0.659 18.360 19.000 0.031 0.000 0.818 175 A HN 0.344 nan 8.150 nan 0.000 0.443 176 V N -1.324 118.601 119.914 0.019 0.000 2.358 176 V HA -0.217 3.903 4.120 0.000 0.000 0.246 176 V C 2.254 178.330 176.094 -0.030 0.000 1.047 176 V CA 2.082 64.369 62.300 -0.021 0.000 1.035 176 V CB -0.895 30.900 31.823 -0.046 0.000 0.658 176 V HN 0.649 nan 8.190 nan 0.000 0.452 177 F N 0.236 120.105 119.950 -0.134 0.000 2.084 177 F HA -0.161 4.366 4.527 0.000 0.000 0.296 177 F C 2.015 177.753 175.800 -0.102 0.000 1.111 177 F CA 1.617 59.517 58.000 -0.166 0.000 1.224 177 F CB -0.329 38.572 39.000 -0.164 0.000 0.991 177 F HN 0.037 nan 8.300 nan 0.000 0.471 178 L N 0.844 122.029 121.223 -0.063 0.000 2.042 178 L HA -0.095 4.245 4.340 0.000 0.000 0.210 178 L C 2.804 179.573 176.870 -0.168 0.000 1.076 178 L CA 2.039 56.798 54.840 -0.134 0.000 0.749 178 L CB -1.842 40.228 42.059 0.018 0.000 0.893 178 L HN 0.328 nan 8.230 nan 0.000 0.432 179 G N -1.574 107.159 108.800 -0.112 0.000 2.408 179 G HA2 -0.168 3.792 3.960 0.000 0.000 0.217 179 G HA3 -0.168 3.792 3.960 0.000 0.000 0.217 179 G C 1.616 176.444 174.900 -0.119 0.000 1.150 179 G CA 0.745 45.789 45.100 -0.093 0.000 0.776 179 G HN 0.506 nan 8.290 nan 0.000 0.542 180 A N 0.939 123.654 122.820 -0.173 0.000 2.016 180 A HA 0.152 4.472 4.320 0.000 0.000 0.217 180 A C 2.292 179.807 177.584 -0.116 0.000 1.162 180 A CA 1.725 53.675 52.037 -0.145 0.000 0.662 180 A CB -0.145 18.721 19.000 -0.223 0.000 0.812 180 A HN 0.474 nan 8.150 nan 0.000 0.450 181 R N -0.608 119.727 120.500 -0.275 0.000 2.225 181 R HA 0.494 4.834 4.340 0.000 0.000 0.194 181 R C 0.907 177.062 176.300 -0.241 0.000 0.957 181 R CA 0.700 56.633 56.100 -0.277 0.000 1.042 181 R CB -0.860 29.119 30.300 -0.535 0.000 1.004 181 R HN 0.185 nan 8.270 nan 0.000 0.509 182 A N 1.556 124.257 122.820 -0.199 0.000 2.584 182 A HA 0.164 4.484 4.320 0.000 0.000 0.239 182 A C 0.148 177.655 177.584 -0.127 0.000 1.043 182 A CA 1.080 53.032 52.037 -0.141 0.000 0.756 182 A CB -0.358 18.582 19.000 -0.100 0.000 0.963 182 A HN 0.703 nan 8.150 nan 0.000 0.511 183 D N -0.438 119.892 120.400 -0.118 0.000 1.817 183 D HA -0.170 4.470 4.640 0.000 0.000 0.232 183 D C -0.263 175.951 176.300 -0.144 0.000 1.089 183 D CA 1.409 55.344 54.000 -0.108 0.000 1.366 183 D CB -1.752 38.992 40.800 -0.094 0.000 1.434 183 D HN 0.557 nan 8.370 nan 0.000 0.699 184 L N 1.378 122.464 121.223 -0.227 0.000 2.331 184 L HA 0.416 4.756 4.340 0.000 0.000 0.278 184 L C 0.630 177.347 176.870 -0.255 0.000 1.106 184 L CA 0.330 54.962 54.840 -0.347 0.000 0.824 184 L CB 1.388 43.032 42.059 -0.691 0.000 1.142 184 L HN 0.183 nan 8.230 nan 0.000 0.443 185 T N 2.964 117.414 114.554 -0.172 0.000 2.762 185 T HA 0.706 5.056 4.350 0.000 0.000 0.303 185 T C -0.393 174.279 174.700 -0.046 0.000 0.977 185 T CA -0.256 61.794 62.100 -0.084 0.000 0.961 185 T CB 0.180 69.025 68.868 -0.037 0.000 0.944 185 T HN 0.787 nan 8.240 nan 0.000 0.481 186 A N 4.234 127.021 122.820 -0.055 0.000 2.586 186 A HA 0.593 4.913 4.320 0.000 0.000 0.291 186 A C -0.740 176.831 177.584 -0.021 0.000 1.062 186 A CA -0.962 51.059 52.037 -0.026 0.000 0.666 186 A CB 0.950 19.952 19.000 0.003 0.000 1.281 186 A HN 0.724 nan 8.150 nan 0.000 0.421 187 E N 0.216 120.400 120.200 -0.028 0.000 2.398 187 E HA 0.403 4.753 4.350 0.000 0.000 0.263 187 E C -0.304 176.294 176.600 -0.003 0.000 1.046 187 E CA 0.239 56.644 56.400 0.009 0.000 0.908 187 E CB 0.757 30.493 29.700 0.060 0.000 0.963 187 E HN 0.570 nan 8.360 nan 0.000 0.431 188 I N -1.732 118.885 120.570 0.078 0.000 2.740 188 I HA 0.607 4.777 4.170 0.000 0.000 0.303 188 I C -0.561 175.613 176.117 0.094 0.000 1.044 188 I CA -0.757 60.614 61.300 0.117 0.000 1.064 188 I CB 2.289 40.446 38.000 0.263 0.000 1.249 188 I HN 0.200 nan 8.210 nan 0.000 0.433 189 S N 4.457 120.173 115.700 0.027 0.000 2.677 189 S HA 0.660 5.130 4.470 0.000 0.000 0.283 189 S C -0.256 174.307 174.600 -0.062 0.000 1.159 189 S CA -0.544 57.719 58.200 0.105 0.000 1.001 189 S CB 1.192 64.577 63.200 0.309 0.000 1.032 189 S HN 0.808 nan 8.310 nan 0.000 0.487 190 L N 3.383 124.565 121.223 -0.068 0.000 2.953 190 L HA 0.429 4.769 4.340 0.000 0.000 0.258 190 L C 0.597 177.443 176.870 -0.041 0.000 1.100 190 L CA -0.177 54.513 54.840 -0.250 0.000 0.971 190 L CB 0.237 42.068 42.059 -0.380 0.000 1.474 190 L HN 0.402 nan 8.230 nan 0.000 0.540 191 R N 2.333 122.920 120.500 0.146 0.000 2.254 191 R HA 0.222 4.562 4.340 0.000 0.000 0.318 191 R C -0.456 175.979 176.300 0.224 0.000 1.031 191 R CA -0.359 55.887 56.100 0.244 0.000 0.905 191 R CB 0.635 31.062 30.300 0.211 0.000 1.050 191 R HN 0.203 nan 8.270 nan 0.000 0.456 192 N N 0.520 119.365 118.700 0.242 0.000 2.643 192 N HA 0.160 4.900 4.740 0.000 0.000 0.305 192 N C 0.406 176.025 175.510 0.181 0.000 1.283 192 N CA -0.791 52.397 53.050 0.230 0.000 0.946 192 N CB 0.104 38.762 38.487 0.284 0.000 1.149 192 N HN 0.178 nan 8.380 nan 0.000 0.600 193 S N 0.363 116.162 115.700 0.166 0.000 2.380 193 S HA -0.115 4.355 4.470 0.000 0.000 0.229 193 S C -1.026 173.631 174.600 0.094 0.000 1.050 193 S CA 2.049 60.312 58.200 0.105 0.000 1.100 193 S CB -1.280 61.969 63.200 0.083 0.000 0.984 193 S HN 0.628 nan 8.310 nan 0.000 0.434 194 P HA 0.025 nan 4.420 nan 0.000 0.217 194 P C 1.328 178.852 177.300 0.374 0.000 1.150 194 P CA 1.417 64.564 63.100 0.079 0.000 0.832 194 P CB -0.123 31.577 31.700 -0.001 0.000 0.787 195 A N -0.770 122.197 122.820 0.246 0.000 2.014 195 A HA -0.084 4.236 4.320 0.000 0.000 0.218 195 A C 2.264 180.013 177.584 0.275 0.000 1.163 195 A CA 1.285 53.469 52.037 0.244 0.000 0.652 195 A CB -1.555 17.491 19.000 0.077 0.000 0.808 195 A HN 0.024 nan 8.150 nan 0.000 0.449 196 V N -0.175 119.865 119.914 0.210 0.000 2.358 196 V HA -0.199 3.921 4.120 0.000 0.000 0.246 196 V C 2.478 178.662 176.094 0.149 0.000 1.047 196 V CA 1.869 64.259 62.300 0.150 0.000 1.035 196 V CB -0.592 31.290 31.823 0.098 0.000 0.658 196 V HN 0.558 nan 8.190 nan 0.000 0.452 197 L N -0.075 121.272 121.223 0.206 0.000 2.162 197 L HA 0.132 4.472 4.340 0.000 0.000 0.205 197 L C 2.121 179.079 176.870 0.148 0.000 1.086 197 L CA 1.520 56.483 54.840 0.204 0.000 0.778 197 L CB -0.457 41.798 42.059 0.328 0.000 0.928 197 L HN 0.459 nan 8.230 nan 0.000 0.446 198 G N -2.643 106.278 108.800 0.202 0.000 3.274 198 G HA2 0.045 4.005 3.960 0.000 0.000 0.250 198 G HA3 0.045 4.005 3.960 0.000 0.000 0.250 198 G C -0.552 174.124 174.900 -0.373 0.000 1.024 198 G CA -0.336 44.686 45.100 -0.131 0.000 0.840 198 G HN 0.185 nan 8.290 nan 0.000 0.522 199 W N 1.537 122.830 121.300 -0.012 0.000 2.148 199 W HA 0.384 5.044 4.660 0.000 0.000 0.288 199 W C -1.746 174.755 176.519 -0.029 0.000 0.920 199 W CA -2.045 55.268 57.345 -0.054 0.000 1.904 199 W CB 1.862 31.247 29.460 -0.126 0.000 2.083 199 W HN -0.047 nan 8.180 nan 0.000 0.398 200 P HA -0.153 nan 4.420 nan 0.000 0.229 200 P C 1.428 178.774 177.300 0.077 0.000 1.160 200 P CA 1.178 64.315 63.100 0.062 0.000 0.777 200 P CB 0.355 32.056 31.700 0.002 0.000 0.814 201 R N -0.359 120.202 120.500 0.103 0.000 2.317 201 R HA 0.136 4.476 4.340 0.000 0.000 0.208 201 R C 0.099 176.470 176.300 0.118 0.000 0.914 201 R CA 0.135 56.292 56.100 0.095 0.000 1.060 201 R CB -1.035 29.315 30.300 0.084 0.000 1.015 201 R HN -0.007 nan 8.270 nan 0.000 0.498 202 V N 5.585 125.590 119.914 0.151 0.000 2.455 202 V HA 0.196 4.316 4.120 0.000 0.000 0.273 202 V C -1.873 174.298 176.094 0.128 0.000 1.045 202 V CA -1.583 60.807 62.300 0.150 0.000 0.976 202 V CB 1.238 33.159 31.823 0.164 0.000 0.993 202 V HN 0.201 nan 8.190 nan 0.000 0.475 203 P HA 0.327 nan 4.420 nan 0.000 0.276 203 P C -0.623 176.732 177.300 0.091 0.000 1.230 203 P CA -0.184 62.974 63.100 0.097 0.000 0.776 203 P CB 1.074 32.837 31.700 0.105 0.000 0.888 204 S N 1.594 117.342 115.700 0.079 0.000 2.605 204 S HA 0.127 4.597 4.470 0.000 0.000 0.279 204 S C 0.211 174.850 174.600 0.065 0.000 1.166 204 S CA -0.552 57.701 58.200 0.087 0.000 0.975 204 S CB 1.119 64.384 63.200 0.109 0.000 1.111 204 S HN 0.397 nan 8.310 nan 0.000 0.465 205 D N 0.937 121.385 120.400 0.079 0.000 2.194 205 D HA 0.019 4.659 4.640 0.000 0.000 0.204 205 D C -0.232 175.996 176.300 -0.120 0.000 0.964 205 D CA 1.150 55.141 54.000 -0.015 0.000 0.846 205 D CB 0.307 41.129 40.800 0.036 0.000 0.962 205 D HN 0.486 nan 8.370 nan 0.000 0.490 206 W N 1.068 122.418 121.300 0.084 0.000 2.600 206 W HA 0.376 5.036 4.660 0.000 0.000 0.325 206 W C -0.285 176.333 176.519 0.164 0.000 1.034 206 W CA -0.931 56.520 57.345 0.177 0.000 1.226 206 W CB 1.366 31.038 29.460 0.354 0.000 1.379 206 W HN -0.361 nan 8.180 nan 0.000 0.466 207 V N 0.997 121.111 119.914 0.333 0.000 2.732 207 V HA 0.683 4.803 4.120 0.000 0.000 0.310 207 V C -0.132 176.125 176.094 0.271 0.000 1.053 207 V CA -1.514 60.933 62.300 0.245 0.000 0.957 207 V CB 1.842 33.742 31.823 0.128 0.000 1.018 207 V HN 0.623 nan 8.190 nan 0.000 0.452 208 R N 2.954 123.591 120.500 0.229 0.000 2.724 208 R HA 0.395 4.735 4.340 0.000 0.000 0.284 208 R C -2.785 173.618 176.300 0.170 0.000 1.481 208 R CA -1.472 54.751 56.100 0.205 0.000 1.652 208 R CB 1.058 31.477 30.300 0.198 0.000 1.175 208 R HN 0.620 nan 8.270 nan 0.000 0.613 209 P HA 0.126 nan 4.420 nan 0.000 0.282 209 P C -0.091 177.230 177.300 0.034 0.000 1.262 209 P CA 0.064 63.210 63.100 0.076 0.000 0.773 209 P CB 1.990 33.700 31.700 0.017 0.000 0.879 210 G N 2.517 111.348 108.800 0.052 0.000 2.598 210 G HA2 -0.023 3.937 3.960 0.000 0.000 0.225 210 G HA3 -0.023 3.937 3.960 0.000 0.000 0.225 210 G C 1.024 175.763 174.900 -0.269 0.000 1.631 210 G CA -0.067 44.996 45.100 -0.063 0.000 0.821 210 G HN 0.443 nan 8.290 nan 0.000 0.610 211 L N 0.740 121.946 121.223 -0.028 0.000 2.089 211 L HA -0.067 4.273 4.340 0.000 0.000 0.213 211 L C 2.860 179.662 176.870 -0.113 0.000 1.079 211 L CA 1.817 56.632 54.840 -0.042 0.000 0.758 211 L CB -0.311 41.609 42.059 -0.230 0.000 0.891 211 L HN 0.294 nan 8.230 nan 0.000 0.433 212 M N -1.190 118.336 119.600 -0.124 0.000 2.113 212 M HA -0.338 4.142 4.480 0.000 0.000 0.255 212 M C 2.142 178.307 176.300 -0.225 0.000 1.073 212 M CA 2.342 57.569 55.300 -0.123 0.000 1.091 212 M CB -0.563 31.988 32.600 -0.083 0.000 1.309 212 M HN 0.355 nan 8.290 nan 0.000 0.407 213 L N -1.659 119.293 121.223 -0.451 0.000 2.187 213 L HA -0.218 4.122 4.340 0.000 0.000 0.213 213 L C 1.550 178.024 176.870 -0.659 0.000 1.100 213 L CA 1.269 55.752 54.840 -0.595 0.000 0.765 213 L CB -0.885 40.656 42.059 -0.864 0.000 0.904 213 L HN 0.366 nan 8.230 nan 0.000 0.437 214 Y N -0.323 119.784 120.300 -0.321 0.000 2.461 214 Y HA 0.321 4.871 4.550 0.000 0.000 0.277 214 Y C 1.736 177.517 175.900 -0.198 0.000 1.182 214 Y CA 0.159 57.988 58.100 -0.452 0.000 1.276 214 Y CB 0.120 38.069 38.460 -0.851 0.000 1.087 214 Y HN 0.224 nan 8.280 nan 0.000 0.519 215 G N 0.528 109.313 108.800 -0.025 0.000 2.143 215 G HA2 -0.282 3.678 3.960 0.000 0.000 0.248 215 G HA3 -0.282 3.678 3.960 0.000 0.000 0.248 215 G C 0.044 174.998 174.900 0.090 0.000 0.991 215 G CA 0.367 45.494 45.100 0.045 0.000 0.689 215 G HN 0.338 nan 8.290 nan 0.000 0.522 216 S N -0.670 115.089 115.700 0.098 0.000 2.472 216 S HA 0.717 5.187 4.470 0.000 0.000 0.303 216 S C 0.322 174.940 174.600 0.029 0.000 1.099 216 S CA 0.509 58.771 58.200 0.104 0.000 1.077 216 S CB 1.594 64.920 63.200 0.209 0.000 1.031 216 S HN 1.032 nan 8.310 nan 0.000 0.487 217 S N 3.752 119.470 115.700 0.031 0.000 2.523 217 S HA 0.449 4.919 4.470 0.000 0.000 0.275 217 S C -1.713 172.848 174.600 -0.065 0.000 1.281 217 S CA -1.436 56.780 58.200 0.027 0.000 1.050 217 S CB 0.747 64.021 63.200 0.123 0.000 0.937 217 S HN 0.679 nan 8.310 nan 0.000 0.492 218 P HA 0.221 nan 4.420 nan 0.000 0.255 218 P C -0.620 176.457 177.300 -0.372 0.000 1.248 218 P CA 0.047 62.959 63.100 -0.313 0.000 0.807 218 P CB -0.104 31.351 31.700 -0.409 0.000 1.150 219 F N 0.066 120.061 119.950 0.074 0.000 2.470 219 F HA 0.314 4.841 4.527 0.000 0.000 0.329 219 F C 1.576 177.399 175.800 0.038 0.000 1.072 219 F CA -0.786 57.248 58.000 0.057 0.000 0.989 219 F CB 0.633 39.655 39.000 0.037 0.000 1.193 219 F HN -0.351 nan 8.300 nan 0.000 0.481 220 D N 0.314 120.851 120.400 0.228 0.000 2.149 220 D HA -0.052 4.588 4.640 0.000 0.000 0.201 220 D C 0.305 176.672 176.300 0.110 0.000 0.972 220 D CA 1.171 55.249 54.000 0.129 0.000 0.835 220 D CB 0.087 40.944 40.800 0.095 0.000 0.966 220 D HN 0.616 nan 8.370 nan 0.000 0.476 221 E N 1.051 121.321 120.200 0.116 0.000 2.314 221 E HA 0.289 4.639 4.350 0.000 0.000 0.262 221 E C -2.163 174.458 176.600 0.036 0.000 1.093 221 E CA -1.673 54.753 56.400 0.043 0.000 0.908 221 E CB 0.631 30.321 29.700 -0.016 0.000 1.091 221 E HN 0.033 nan 8.360 nan 0.000 0.425 222 P HA 0.037 nan 4.420 nan 0.000 0.275 222 P C -1.225 176.026 177.300 -0.081 0.000 1.227 222 P CA -0.184 62.909 63.100 -0.011 0.000 0.781 222 P CB 0.942 32.634 31.700 -0.014 0.000 0.906 223 Q N 1.628 121.387 119.800 -0.067 0.000 2.305 223 Q HA 0.570 4.910 4.340 0.000 0.000 0.271 223 Q C 0.543 176.504 176.000 -0.066 0.000 1.046 223 Q CA -0.639 55.075 55.803 -0.148 0.000 0.798 223 Q CB 1.651 30.227 28.738 -0.269 0.000 1.286 223 Q HN 0.393 nan 8.270 nan 0.000 0.435 224 A N 2.591 125.361 122.820 -0.084 0.000 1.883 224 A HA -0.159 4.161 4.320 0.000 0.000 0.217 224 A C 1.541 179.113 177.584 -0.019 0.000 1.186 224 A CA 2.449 54.457 52.037 -0.047 0.000 0.624 224 A CB -0.847 18.117 19.000 -0.060 0.000 0.822 224 A HN 0.867 nan 8.150 nan 0.000 0.444 225 T N 0.037 114.578 114.554 -0.022 0.000 2.857 225 T HA 0.134 4.484 4.350 0.000 0.000 0.266 225 T C 2.081 176.813 174.700 0.052 0.000 1.048 225 T CA 1.196 63.302 62.100 0.010 0.000 1.139 225 T CB -0.336 68.536 68.868 0.007 0.000 0.874 225 T HN 0.568 nan 8.240 nan 0.000 0.455 226 A N 1.276 124.149 122.820 0.088 0.000 2.168 226 A HA 0.076 4.396 4.320 0.000 0.000 0.215 226 A C 2.408 180.050 177.584 0.097 0.000 1.152 226 A CA 0.925 53.045 52.037 0.138 0.000 0.716 226 A CB -0.565 18.597 19.000 0.271 0.000 0.794 226 A HN 0.396 nan 8.150 nan 0.000 0.465 227 S N -0.521 115.217 115.700 0.064 0.000 2.481 227 S HA -0.031 4.439 4.470 0.000 0.000 0.231 227 S C 1.749 176.382 174.600 0.055 0.000 0.996 227 S CA 0.664 58.894 58.200 0.050 0.000 0.942 227 S CB -0.151 63.066 63.200 0.029 0.000 0.768 227 S HN 0.633 nan 8.310 nan 0.000 0.520 228 R N 0.424 120.965 120.500 0.067 0.000 2.299 228 R HA 0.227 4.567 4.340 0.000 0.000 0.197 228 R C -0.098 176.292 176.300 0.150 0.000 0.971 228 R CA 0.038 56.197 56.100 0.098 0.000 1.030 228 R CB -0.108 30.247 30.300 0.092 0.000 0.932 228 R HN 0.319 nan 8.270 nan 0.000 0.477 229 L N 1.473 122.763 121.223 0.111 0.000 2.426 229 L HA 0.059 4.399 4.340 0.000 0.000 0.271 229 L C 0.181 177.101 176.870 0.082 0.000 1.169 229 L CA 0.377 55.285 54.840 0.113 0.000 0.836 229 L CB 0.682 42.788 42.059 0.078 0.000 1.112 229 L HN 0.041 nan 8.230 nan 0.000 0.465 230 Q N 3.969 123.817 119.800 0.080 0.000 2.348 230 Q HA 0.332 4.672 4.340 0.000 0.000 0.265 230 Q C -2.332 173.694 176.000 0.045 0.000 0.998 230 Q CA -2.040 53.773 55.803 0.017 0.000 0.831 230 Q CB 1.808 30.498 28.738 -0.081 0.000 1.251 230 Q HN 0.305 nan 8.270 nan 0.000 0.456 231 P HA -0.097 nan 4.420 nan 0.000 0.264 231 P C 0.053 177.416 177.300 0.105 0.000 1.193 231 P CA 0.242 63.404 63.100 0.104 0.000 0.763 231 P CB 0.920 32.691 31.700 0.118 0.000 0.810 232 V N 3.677 123.669 119.914 0.130 0.000 2.436 232 V HA 0.020 4.140 4.120 0.000 0.000 0.240 232 V C 1.334 177.541 176.094 0.189 0.000 1.040 232 V CA 1.166 63.549 62.300 0.139 0.000 1.052 232 V CB -0.408 31.483 31.823 0.112 0.000 0.707 232 V HN 0.530 nan 8.190 nan 0.000 0.469 233 M N 0.939 120.701 119.600 0.269 0.000 2.180 233 M HA 0.262 4.742 4.480 0.000 0.000 0.358 233 M C -0.795 175.661 176.300 0.260 0.000 1.233 233 M CA 0.362 55.800 55.300 0.231 0.000 1.114 233 M CB 1.062 33.775 32.600 0.187 0.000 1.594 233 M HN 0.193 nan 8.290 nan 0.000 0.467 234 T N 6.146 120.770 114.554 0.116 0.000 2.842 234 T HA 0.382 4.732 4.350 0.000 0.000 0.308 234 T C -0.805 173.846 174.700 -0.081 0.000 1.041 234 T CA -0.542 61.590 62.100 0.053 0.000 0.964 234 T CB 0.591 69.472 68.868 0.021 0.000 0.972 234 T HN 0.567 nan 8.240 nan 0.000 0.460 235 L N 5.213 126.280 121.223 -0.260 0.000 2.278 235 L HA 0.509 4.849 4.340 0.000 0.000 0.287 235 L C 0.176 176.852 176.870 -0.322 0.000 1.072 235 L CA 0.075 54.656 54.840 -0.432 0.000 0.819 235 L CB 0.039 41.505 42.059 -0.988 0.000 1.176 235 L HN 0.713 nan 8.230 nan 0.000 0.435 236 E N 3.100 123.171 120.200 -0.215 0.000 2.393 236 E HA 0.771 5.121 4.350 0.000 0.000 0.273 236 E C -1.346 175.171 176.600 -0.138 0.000 0.918 236 E CA -0.937 55.373 56.400 -0.150 0.000 0.773 236 E CB 1.959 31.610 29.700 -0.082 0.000 1.275 236 E HN 0.419 nan 8.360 nan 0.000 0.451 237 S N 0.394 116.023 115.700 -0.119 0.000 2.843 237 S HA 0.543 5.013 4.470 0.000 0.000 0.301 237 S C -1.595 172.956 174.600 -0.081 0.000 1.206 237 S CA -0.792 57.345 58.200 -0.105 0.000 0.875 237 S CB 1.395 64.517 63.200 -0.130 0.000 1.248 237 S HN 0.498 nan 8.310 nan 0.000 0.555 238 K N 0.670 121.025 120.400 -0.076 0.000 2.395 238 K HA 0.628 4.948 4.320 0.000 0.000 0.247 238 K C -1.467 175.095 176.600 -0.064 0.000 0.973 238 K CA -0.843 55.407 56.287 -0.061 0.000 0.828 238 K CB 1.952 34.422 32.500 -0.049 0.000 1.272 238 K HN 0.395 nan 8.250 nan 0.000 0.439 239 V N 3.708 123.588 119.914 -0.056 0.000 2.470 239 V HA 0.060 4.180 4.120 0.000 0.000 0.276 239 V C 1.073 177.139 176.094 -0.046 0.000 1.040 239 V CA 0.155 62.423 62.300 -0.053 0.000 1.008 239 V CB 0.197 31.991 31.823 -0.048 0.000 0.990 239 V HN 0.721 nan 8.190 nan 0.000 0.477 240 I N 1.410 121.952 120.570 -0.047 0.000 4.057 240 I HA 0.452 4.622 4.170 0.000 0.000 0.334 240 I C 0.487 176.582 176.117 -0.036 0.000 1.308 240 I CA 0.142 61.418 61.300 -0.041 0.000 1.125 240 I CB 0.647 38.621 38.000 -0.043 0.000 1.034 240 I HN 0.582 nan 8.210 nan 0.000 0.401 241 C N 1.198 120.476 119.300 -0.036 0.000 2.931 241 C HA 0.712 5.172 4.460 0.000 0.000 0.370 241 C C -0.852 174.120 174.990 -0.030 0.000 1.071 241 C CA -0.323 58.676 59.018 -0.032 0.000 1.266 241 C CB 1.328 29.049 27.740 -0.033 0.000 1.691 241 C HN 0.157 nan 8.230 nan 0.000 0.511 242 V N 6.155 126.055 119.914 -0.024 0.000 2.540 242 V HA 0.724 4.844 4.120 0.000 0.000 0.302 242 V C -0.142 175.943 176.094 -0.016 0.000 1.035 242 V CA -0.516 61.771 62.300 -0.021 0.000 0.873 242 V CB 1.800 33.610 31.823 -0.021 0.000 0.992 242 V HN 0.877 nan 8.190 nan 0.000 0.428 243 R N 2.508 123.001 120.500 -0.012 0.000 2.621 243 R HA 0.508 4.848 4.340 0.000 0.000 0.284 243 R C -1.072 175.228 176.300 -0.001 0.000 0.998 243 R CA -0.601 55.495 56.100 -0.007 0.000 0.895 243 R CB 2.254 32.550 30.300 -0.007 0.000 1.195 243 R HN 0.800 nan 8.270 nan 0.000 0.450 244 E N 4.453 124.653 120.200 -0.001 0.000 2.156 244 E HA 0.336 4.686 4.350 0.000 0.000 0.279 244 E C -0.851 175.752 176.600 0.005 0.000 0.965 244 E CA -0.533 55.868 56.400 0.003 0.000 0.789 244 E CB 1.769 31.469 29.700 -0.000 0.000 1.098 244 E HN 0.347 nan 8.360 nan 0.000 0.397 245 L N 4.998 126.228 121.223 0.011 0.000 2.362 245 L HA 0.496 4.836 4.340 0.000 0.000 0.271 245 L C -2.172 174.701 176.870 0.005 0.000 1.002 245 L CA -2.160 52.685 54.840 0.009 0.000 0.818 245 L CB 1.948 44.018 42.059 0.018 0.000 1.298 245 L HN 0.350 nan 8.230 nan 0.000 0.420 246 P HA 0.171 nan 4.420 nan 0.000 0.277 246 P C -0.825 176.465 177.300 -0.016 0.000 1.276 246 P CA -0.508 62.587 63.100 -0.008 0.000 0.788 246 P CB 0.693 32.387 31.700 -0.010 0.000 1.114 247 A N -0.583 122.225 122.820 -0.021 0.000 2.425 247 A HA 0.472 4.792 4.320 0.000 0.000 0.249 247 A C 1.194 178.750 177.584 -0.047 0.000 1.084 247 A CA 0.502 52.518 52.037 -0.036 0.000 0.781 247 A CB -1.405 17.577 19.000 -0.030 0.000 1.019 247 A HN 0.900 nan 8.150 nan 0.000 0.490 248 G N 1.010 109.765 108.800 -0.075 0.000 2.142 248 G HA2 -0.126 3.834 3.960 0.000 0.000 0.225 248 G HA3 -0.126 3.834 3.960 0.000 0.000 0.225 248 G C -0.273 174.584 174.900 -0.072 0.000 1.015 248 G CA 0.166 45.220 45.100 -0.077 0.000 0.716 248 G HN 0.754 nan 8.290 nan 0.000 0.508 249 E N 0.816 120.968 120.200 -0.081 0.000 2.171 249 E HA 0.441 4.791 4.350 0.000 0.000 0.271 249 E C -2.390 174.168 176.600 -0.071 0.000 0.916 249 E CA -1.912 54.454 56.400 -0.057 0.000 0.774 249 E CB 2.431 32.113 29.700 -0.030 0.000 1.128 249 E HN 0.235 nan 8.360 nan 0.000 0.403 250 P HA 0.169 nan 4.420 nan 0.000 0.280 250 P C -0.478 176.835 177.300 0.022 0.000 1.244 250 P CA -0.399 62.687 63.100 -0.023 0.000 0.784 250 P CB 0.963 32.656 31.700 -0.011 0.000 0.913 251 V N 2.890 122.854 119.914 0.084 0.000 2.444 251 V HA 0.696 4.816 4.120 0.000 0.000 0.294 251 V C 0.712 176.862 176.094 0.093 0.000 1.022 251 V CA 0.353 62.721 62.300 0.115 0.000 0.850 251 V CB 0.589 32.555 31.823 0.238 0.000 0.992 251 V HN 1.108 nan 8.190 nan 0.000 0.426 252 G N 4.072 112.874 108.800 0.003 0.000 2.698 252 G HA2 -0.199 3.761 3.960 0.000 0.000 0.225 252 G HA3 -0.199 3.761 3.960 0.000 0.000 0.225 252 G C -0.746 174.125 174.900 -0.048 0.000 1.345 252 G CA -0.647 44.418 45.100 -0.057 0.000 0.871 252 G HN 0.617 nan 8.290 nan 0.000 0.540 253 Y N 1.052 121.393 120.300 0.068 0.000 2.597 253 Y HA 0.323 4.873 4.550 0.000 0.000 0.336 253 Y C 2.000 177.936 175.900 0.060 0.000 1.216 253 Y CA 1.825 59.962 58.100 0.062 0.000 1.463 253 Y CB 0.786 39.288 38.460 0.071 0.000 1.303 253 Y HN 2.127 nan 8.280 nan 0.000 0.576 254 G N 1.639 110.577 108.800 0.230 0.000 2.196 254 G HA2 -0.187 3.773 3.960 0.000 0.000 0.268 254 G HA3 -0.187 3.773 3.960 0.000 0.000 0.268 254 G C 0.759 175.719 174.900 0.101 0.000 0.975 254 G CA 0.439 45.623 45.100 0.139 0.000 0.648 254 G HN 1.910 nan 8.290 nan 0.000 0.538 255 A N -1.481 121.398 122.820 0.098 0.000 2.745 255 A HA -0.234 4.086 4.320 0.000 0.000 0.296 255 A C 1.647 179.281 177.584 0.083 0.000 1.500 255 A CA 2.064 54.144 52.037 0.072 0.000 0.766 255 A CB -1.086 17.937 19.000 0.038 0.000 1.030 255 A HN 0.821 nan 8.150 nan 0.000 0.489 256 R N -1.761 118.813 120.500 0.124 0.000 2.323 256 R HA 0.191 4.531 4.340 0.000 0.000 0.198 256 R C 0.028 176.455 176.300 0.212 0.000 0.988 256 R CA 0.891 57.073 56.100 0.136 0.000 1.041 256 R CB -0.320 30.059 30.300 0.132 0.000 0.926 256 R HN 0.845 nan 8.270 nan 0.000 0.476 257 F N 0.279 120.249 119.950 0.033 0.000 2.585 257 F HA 0.413 4.940 4.527 0.000 0.000 0.319 257 F C -1.210 174.601 175.800 0.018 0.000 1.165 257 F CA -1.395 56.621 58.000 0.026 0.000 0.949 257 F CB 1.013 40.031 39.000 0.029 0.000 1.218 257 F HN -0.270 nan 8.300 nan 0.000 0.453 258 I N 4.418 124.583 120.570 -0.674 0.000 2.378 258 I HA 0.277 4.447 4.170 0.000 0.000 0.291 258 I C 0.045 175.650 176.117 -0.855 0.000 0.992 258 I CA -0.637 60.329 61.300 -0.557 0.000 1.154 258 I CB 2.125 39.964 38.000 -0.268 0.000 1.315 258 I HN 0.693 nan 8.210 nan 0.000 0.448 259 T N 4.613 118.825 114.554 -0.570 0.000 2.778 259 T HA 0.079 4.429 4.350 0.000 0.000 0.282 259 T C -1.639 172.919 174.700 -0.237 0.000 0.983 259 T CA -0.864 61.023 62.100 -0.356 0.000 1.193 259 T CB 0.235 69.040 68.868 -0.105 0.000 0.938 259 T HN 0.468 nan 8.240 nan 0.000 0.523 260 P HA 0.090 nan 4.420 nan 0.000 0.240 260 P C 0.225 177.503 177.300 -0.037 0.000 1.190 260 P CA 0.708 63.754 63.100 -0.089 0.000 0.781 260 P CB 0.230 31.907 31.700 -0.039 0.000 0.931 261 K N -1.188 119.201 120.400 -0.017 0.000 2.548 261 K HA 0.512 4.832 4.320 0.000 0.000 0.282 261 K C -3.268 173.335 176.600 0.005 0.000 1.006 261 K CA -2.450 53.837 56.287 -0.001 0.000 0.892 261 K CB 0.769 33.279 32.500 0.016 0.000 1.499 261 K HN -0.351 nan 8.250 nan 0.000 0.433 262 P HA 0.090 nan 4.420 nan 0.000 0.267 262 P C -0.878 176.435 177.300 0.022 0.000 1.209 262 P CA 0.276 63.381 63.100 0.009 0.000 0.763 262 P CB 0.438 32.141 31.700 0.004 0.000 0.816 263 M N 2.432 122.050 119.600 0.030 0.000 2.572 263 M HA 0.429 4.909 4.480 0.000 0.000 0.299 263 M C 0.125 176.444 176.300 0.031 0.000 1.205 263 M CA -0.888 54.437 55.300 0.043 0.000 0.876 263 M CB 3.497 36.146 32.600 0.082 0.000 1.728 263 M HN 0.175 nan 8.290 nan 0.000 0.458 264 R N 1.835 122.349 120.500 0.024 0.000 2.294 264 R HA 0.640 4.980 4.340 0.000 0.000 0.319 264 R C -1.405 174.902 176.300 0.013 0.000 0.984 264 R CA -0.449 55.659 56.100 0.013 0.000 0.861 264 R CB 0.866 31.166 30.300 0.001 0.000 1.104 264 R HN 0.523 nan 8.270 nan 0.000 0.451 265 I N 2.808 123.384 120.570 0.010 0.000 2.493 265 I HA 0.467 4.637 4.170 0.000 0.000 0.298 265 I C 0.477 176.587 176.117 -0.012 0.000 0.998 265 I CA -0.673 60.631 61.300 0.007 0.000 1.137 265 I CB 1.671 39.685 38.000 0.023 0.000 1.310 265 I HN 0.772 nan 8.210 nan 0.000 0.445 266 G N 4.559 113.344 108.800 -0.025 0.000 2.566 266 G HA2 0.599 4.559 3.960 0.000 0.000 0.311 266 G HA3 0.599 4.559 3.960 0.000 0.000 0.311 266 G C -1.283 173.589 174.900 -0.045 0.000 1.322 266 G CA -0.349 44.729 45.100 -0.036 0.000 0.969 266 G HN 0.286 nan 8.290 nan 0.000 0.490 267 V N 2.177 122.063 119.914 -0.047 0.000 2.394 267 V HA 0.449 4.569 4.120 0.000 0.000 0.282 267 V C 0.047 176.102 176.094 -0.066 0.000 1.031 267 V CA -0.631 61.636 62.300 -0.055 0.000 0.881 267 V CB 1.342 33.136 31.823 -0.049 0.000 0.982 267 V HN 0.533 nan 8.190 nan 0.000 0.451 268 V N 3.601 123.465 119.914 -0.084 0.000 2.483 268 V HA 0.564 4.684 4.120 0.000 0.000 0.295 268 V C 0.720 176.751 176.094 -0.105 0.000 1.035 268 V CA -0.650 61.590 62.300 -0.101 0.000 0.896 268 V CB 1.824 33.567 31.823 -0.133 0.000 0.986 268 V HN 0.967 nan 8.190 nan 0.000 0.447 269 A N 5.650 128.412 122.820 -0.097 0.000 3.026 269 A HA 0.611 4.931 4.320 0.000 0.000 0.272 269 A C -0.167 177.348 177.584 -0.115 0.000 1.782 269 A CA 0.248 52.229 52.037 -0.093 0.000 1.451 269 A CB -0.885 18.070 19.000 -0.076 0.000 1.081 269 A HN 0.825 nan 8.150 nan 0.000 0.611 270 M N 1.137 120.658 119.600 -0.132 0.000 2.346 270 M HA 0.572 5.052 4.480 0.000 0.000 0.287 270 M C -0.441 175.778 176.300 -0.136 0.000 1.100 270 M CA 0.108 55.316 55.300 -0.153 0.000 0.950 270 M CB 1.437 33.898 32.600 -0.233 0.000 1.815 270 M HN 0.541 nan 8.290 nan 0.000 0.497 271 G N 2.004 110.747 108.800 -0.096 0.000 2.866 271 G HA2 0.459 4.420 3.960 0.000 0.000 0.289 271 G HA3 0.459 4.420 3.960 0.000 0.000 0.289 271 G C -0.421 174.492 174.900 0.021 0.000 1.396 271 G CA -0.201 44.844 45.100 -0.091 0.000 0.848 271 G HN 0.963 nan 8.290 nan 0.000 0.515 272 Y N -1.804 118.568 120.300 0.121 0.000 2.497 272 Y HA 0.301 4.851 4.550 0.000 0.000 0.292 272 Y C 2.353 178.303 175.900 0.085 0.000 1.137 272 Y CA 1.047 59.221 58.100 0.124 0.000 1.285 272 Y CB -0.287 38.232 38.460 0.099 0.000 0.991 272 Y HN 0.352 nan 8.280 nan 0.000 0.556 273 A N 0.735 123.559 122.820 0.007 0.000 2.067 273 A HA -0.095 4.225 4.320 0.000 0.000 0.217 273 A C 1.689 179.304 177.584 0.052 0.000 1.156 273 A CA 1.299 53.365 52.037 0.047 0.000 0.683 273 A CB -0.433 18.533 19.000 -0.058 0.000 0.808 273 A HN 0.514 nan 8.150 nan 0.000 0.455 274 D N -1.280 119.145 120.400 0.041 0.000 2.289 274 D HA 0.158 4.798 4.640 0.000 0.000 0.207 274 D C 1.413 177.774 176.300 0.102 0.000 0.966 274 D CA 1.357 55.381 54.000 0.041 0.000 0.868 274 D CB 0.332 41.128 40.800 -0.005 0.000 0.943 274 D HN 0.588 nan 8.370 nan 0.000 0.514 275 G N 0.210 109.113 108.800 0.172 0.000 2.318 275 G HA2 -0.222 3.738 3.960 0.000 0.000 0.172 275 G HA3 -0.222 3.738 3.960 0.000 0.000 0.172 275 G C -0.140 174.967 174.900 0.346 0.000 1.002 275 G CA -0.508 44.734 45.100 0.238 0.000 0.697 275 G HN 0.288 nan 8.290 nan 0.000 0.483 276 Y N 4.136 124.554 120.300 0.197 0.000 2.402 276 Y HA 0.495 5.045 4.550 0.000 0.000 0.333 276 Y C -1.741 174.293 175.900 0.224 0.000 1.076 276 Y CA -1.810 56.434 58.100 0.240 0.000 1.299 276 Y CB 1.032 39.550 38.460 0.098 0.000 1.197 276 Y HN 0.061 nan 8.280 nan 0.000 0.517 277 P HA 0.021 nan 4.420 nan 0.000 0.267 277 P C 0.011 177.316 177.300 0.008 0.000 1.205 277 P CA 0.128 63.166 63.100 -0.103 0.000 0.765 277 P CB 0.948 32.516 31.700 -0.220 0.000 0.828 278 R N 2.626 123.162 120.500 0.060 0.000 2.189 278 R HA -0.128 4.212 4.340 0.000 0.000 0.218 278 R C 1.587 177.898 176.300 0.020 0.000 1.074 278 R CA 1.248 57.391 56.100 0.070 0.000 0.991 278 R CB -0.025 30.204 30.300 -0.119 0.000 0.883 278 R HN 0.384 nan 8.270 nan 0.000 0.457 279 Q N 0.232 120.015 119.800 -0.028 0.000 2.364 279 Q HA 0.061 4.401 4.340 0.000 0.000 0.207 279 Q C 0.256 176.247 176.000 -0.015 0.000 0.970 279 Q CA 0.980 56.764 55.803 -0.031 0.000 0.888 279 Q CB 0.081 28.788 28.738 -0.052 0.000 0.951 279 Q HN 0.286 nan 8.270 nan 0.000 0.469 280 A N 2.457 125.267 122.820 -0.016 0.000 2.515 280 A HA 0.255 4.575 4.320 0.000 0.000 0.263 280 A C -2.138 175.478 177.584 0.055 0.000 1.096 280 A CA -1.090 50.952 52.037 0.008 0.000 0.769 280 A CB -0.256 18.745 19.000 0.002 0.000 1.040 280 A HN 0.052 nan 8.150 nan 0.000 0.505 281 P HA 0.297 nan 4.420 nan 0.000 0.282 281 P C -0.029 177.288 177.300 0.028 0.000 1.287 281 P CA -0.513 62.611 63.100 0.040 0.000 0.792 281 P CB 0.219 31.939 31.700 0.034 0.000 1.163 282 T N 0.289 114.846 114.554 0.005 0.000 2.867 282 T HA 0.376 4.726 4.350 0.000 0.000 0.297 282 T C 1.238 175.917 174.700 -0.035 0.000 0.989 282 T CA 1.485 63.541 62.100 -0.073 0.000 1.159 282 T CB -0.610 68.186 68.868 -0.120 0.000 0.928 282 T HN 0.820 nan 8.240 nan 0.000 0.538 283 G N 3.019 111.790 108.800 -0.050 0.000 2.231 283 G HA2 -0.220 3.740 3.960 0.000 0.000 0.206 283 G HA3 -0.220 3.740 3.960 0.000 0.000 0.206 283 G C 0.343 175.258 174.900 0.024 0.000 0.996 283 G CA -0.252 44.844 45.100 -0.007 0.000 0.645 283 G HN 0.795 nan 8.290 nan 0.000 0.498 284 T N 4.050 118.629 114.554 0.042 0.000 2.902 284 T HA 0.443 4.793 4.350 0.000 0.000 0.301 284 T C -2.270 172.492 174.700 0.103 0.000 1.012 284 T CA 0.163 62.313 62.100 0.083 0.000 1.151 284 T CB 1.399 70.341 68.868 0.123 0.000 0.946 284 T HN 0.193 nan 8.240 nan 0.000 0.542 285 P HA 0.319 nan 4.420 nan 0.000 0.282 285 P C -0.270 177.130 177.300 0.166 0.000 1.262 285 P CA -0.534 62.641 63.100 0.125 0.000 0.773 285 P CB 0.647 32.422 31.700 0.124 0.000 0.879 286 V N 0.254 120.255 119.914 0.144 0.000 3.284 286 V HA 0.674 4.794 4.120 0.000 0.000 0.309 286 V C -0.383 175.836 176.094 0.209 0.000 1.190 286 V CA -1.072 61.340 62.300 0.186 0.000 1.038 286 V CB 0.333 32.211 31.823 0.092 0.000 1.198 286 V HN 0.404 nan 8.190 nan 0.000 0.465 287 F N -1.201 118.757 119.950 0.014 0.000 2.310 287 F HA 0.014 4.541 4.527 0.000 0.000 0.483 287 F C -0.516 175.276 175.800 -0.014 0.000 1.229 287 F CA 0.759 58.764 58.000 0.008 0.000 1.544 287 F CB -0.790 38.224 39.000 0.024 0.000 2.399 287 F HN 0.743 nan 8.300 nan 0.000 0.745 288 V N 3.142 122.930 119.914 -0.211 0.000 2.668 288 V HA 0.588 4.708 4.120 0.000 0.000 0.304 288 V C -0.063 175.884 176.094 -0.246 0.000 1.071 288 V CA -0.424 61.787 62.300 -0.149 0.000 0.894 288 V CB 1.808 33.573 31.823 -0.096 0.000 1.008 288 V HN 0.453 nan 8.190 nan 0.000 0.425 289 D N 5.005 125.307 120.400 -0.164 0.000 2.686 289 D HA -0.155 4.485 4.640 0.000 0.000 0.235 289 D C 1.181 177.336 176.300 -0.242 0.000 1.160 289 D CA 2.193 56.105 54.000 -0.147 0.000 0.645 289 D CB -1.126 39.612 40.800 -0.103 0.000 1.039 289 D HN 1.823 nan 8.370 nan 0.000 0.423 290 G N -2.173 106.380 108.800 -0.411 0.000 2.155 290 G HA2 -0.252 3.708 3.960 0.000 0.000 0.257 290 G HA3 -0.252 3.708 3.960 0.000 0.000 0.257 290 G C 0.301 174.802 174.900 -0.664 0.000 0.983 290 G CA 0.399 45.213 45.100 -0.476 0.000 0.676 290 G HN 0.724 nan 8.290 nan 0.000 0.528 291 V N -0.115 119.323 119.914 -0.793 0.000 2.656 291 V HA 0.545 4.665 4.120 0.000 0.000 0.307 291 V C 0.668 176.464 176.094 -0.496 0.000 1.051 291 V CA -1.177 60.835 62.300 -0.480 0.000 0.893 291 V CB 1.912 33.589 31.823 -0.242 0.000 0.999 291 V HN 0.368 nan 8.190 nan 0.000 0.426 292 R N 1.991 122.369 120.500 -0.203 0.000 2.316 292 R HA 0.489 4.829 4.340 0.000 0.000 0.314 292 R C 0.240 176.530 176.300 -0.018 0.000 1.069 292 R CA 0.303 56.404 56.100 0.001 0.000 0.959 292 R CB 0.817 31.194 30.300 0.127 0.000 0.987 292 R HN 0.899 nan 8.270 nan 0.000 0.446 293 S N 2.019 117.720 115.700 0.002 0.000 2.993 293 S HA 0.447 4.917 4.470 0.000 0.000 0.281 293 S C -1.518 173.093 174.600 0.017 0.000 1.033 293 S CA -0.698 57.498 58.200 -0.007 0.000 0.950 293 S CB 1.073 64.253 63.200 -0.034 0.000 1.349 293 S HN 0.684 nan 8.310 nan 0.000 0.652 294 Q N 0.405 120.202 119.800 -0.005 0.000 2.435 294 Q HA 0.624 4.964 4.340 0.000 0.000 0.282 294 Q C -1.661 174.312 176.000 -0.045 0.000 1.020 294 Q CA -0.889 54.908 55.803 -0.009 0.000 0.820 294 Q CB 1.277 30.003 28.738 -0.020 0.000 1.436 294 Q HN 0.501 nan 8.270 nan 0.000 0.395 295 L N 1.914 123.119 121.223 -0.031 0.000 2.397 295 L HA 0.462 4.802 4.340 0.000 0.000 0.271 295 L C -1.479 175.287 176.870 -0.173 0.000 1.148 295 L CA 0.072 54.878 54.840 -0.056 0.000 0.825 295 L CB 0.694 42.777 42.059 0.040 0.000 1.117 295 L HN 0.690 nan 8.230 nan 0.000 0.456 296 L N 5.885 126.968 121.223 -0.233 0.000 2.404 296 L HA 0.729 5.069 4.340 0.000 0.000 0.272 296 L C 0.474 177.169 176.870 -0.291 0.000 0.980 296 L CA -0.257 54.284 54.840 -0.499 0.000 0.836 296 L CB 1.118 42.814 42.059 -0.604 0.000 1.238 296 L HN 0.943 nan 8.230 nan 0.000 0.408 297 G N 2.423 111.082 108.800 -0.235 0.000 2.681 297 G HA2 -0.167 3.793 3.960 0.000 0.000 0.220 297 G HA3 -0.167 3.793 3.960 0.000 0.000 0.220 297 G C -0.577 174.368 174.900 0.075 0.000 1.353 297 G CA -0.861 44.263 45.100 0.040 0.000 0.872 297 G HN 0.484 nan 8.290 nan 0.000 0.557 298 R N -0.623 119.956 120.500 0.132 0.000 2.491 298 R HA 0.388 4.728 4.340 0.000 0.000 0.283 298 R C 0.482 176.896 176.300 0.191 0.000 1.072 298 R CA -0.382 55.822 56.100 0.174 0.000 1.048 298 R CB 0.800 31.243 30.300 0.239 0.000 0.983 298 R HN 0.547 nan 8.270 nan 0.000 0.450 299 V N 3.357 123.411 119.914 0.233 0.000 2.488 299 V HA 0.080 4.200 4.120 0.000 0.000 0.277 299 V C 0.743 177.070 176.094 0.388 0.000 1.046 299 V CA 0.030 62.495 62.300 0.275 0.000 0.986 299 V CB 1.265 33.301 31.823 0.355 0.000 0.989 299 V HN 0.740 nan 8.190 nan 0.000 0.475 300 S N 4.285 120.132 115.700 0.245 0.000 2.686 300 S HA 0.334 4.804 4.470 0.000 0.000 0.270 300 S C 1.147 175.556 174.600 -0.319 0.000 1.194 300 S CA -0.586 57.739 58.200 0.208 0.000 0.990 300 S CB 0.993 64.314 63.200 0.202 0.000 1.029 300 S HN 0.827 nan 8.310 nan 0.000 0.560 301 M N 1.006 120.261 119.600 -0.575 0.000 2.159 301 M HA -0.142 4.338 4.480 0.000 0.000 0.263 301 M C 0.092 176.091 176.300 -0.502 0.000 1.063 301 M CA 1.735 56.427 55.300 -1.013 0.000 1.110 301 M CB -0.063 32.253 32.600 -0.473 0.000 1.374 301 M HN 0.581 nan 8.290 nan 0.000 0.411 302 D N -1.431 118.818 120.400 -0.251 0.000 2.498 302 D HA 0.227 4.867 4.640 0.000 0.000 0.223 302 D C 0.116 176.347 176.300 -0.115 0.000 1.125 302 D CA 0.270 54.178 54.000 -0.153 0.000 0.835 302 D CB 0.737 41.475 40.800 -0.102 0.000 1.086 302 D HN 0.353 nan 8.370 nan 0.000 0.510 303 M N 1.116 120.657 119.600 -0.098 0.000 2.530 303 M HA 0.447 4.927 4.480 0.000 0.000 0.307 303 M C -1.357 174.910 176.300 -0.055 0.000 1.161 303 M CA -0.994 54.261 55.300 -0.075 0.000 0.903 303 M CB 3.091 35.656 32.600 -0.057 0.000 1.711 303 M HN -0.156 nan 8.290 nan 0.000 0.451 304 L N 0.064 121.240 121.223 -0.079 0.000 2.303 304 L HA 0.950 5.290 4.340 0.000 0.000 0.256 304 L C -1.318 175.507 176.870 -0.075 0.000 1.034 304 L CA -0.590 54.211 54.840 -0.066 0.000 0.832 304 L CB 1.848 43.832 42.059 -0.125 0.000 1.403 304 L HN 0.794 nan 8.230 nan 0.000 0.419 305 C N 2.128 121.392 119.300 -0.060 0.000 2.408 305 C HA 0.896 5.356 4.460 0.000 0.000 0.321 305 C C -0.063 174.877 174.990 -0.083 0.000 1.245 305 C CA -0.615 58.365 59.018 -0.063 0.000 1.523 305 C CB -0.106 27.609 27.740 -0.042 0.000 2.178 305 C HN 0.907 nan 8.230 nan 0.000 0.488 306 I N 1.858 122.380 120.570 -0.079 0.000 3.067 306 I HA 0.674 4.844 4.170 0.000 0.000 0.312 306 I C -0.730 175.348 176.117 -0.066 0.000 1.073 306 I CA -0.427 60.825 61.300 -0.079 0.000 1.016 306 I CB 1.550 39.508 38.000 -0.071 0.000 1.227 306 I HN 0.438 nan 8.210 nan 0.000 0.456 307 D N 2.220 122.583 120.400 -0.062 0.000 2.256 307 D HA 0.456 5.096 4.640 0.000 0.000 0.250 307 D C -0.129 176.152 176.300 -0.032 0.000 1.093 307 D CA -0.102 53.875 54.000 -0.039 0.000 0.882 307 D CB 1.441 42.220 40.800 -0.034 0.000 1.185 307 D HN 0.666 nan 8.370 nan 0.000 0.437 308 L N 2.680 123.891 121.223 -0.021 0.000 3.298 308 L HA 0.113 4.453 4.340 0.000 0.000 0.296 308 L C 1.606 178.466 176.870 -0.016 0.000 1.237 308 L CA -0.079 54.746 54.840 -0.025 0.000 1.038 308 L CB 0.515 42.558 42.059 -0.027 0.000 1.423 308 L HN 0.394 nan 8.230 nan 0.000 0.605 309 T N -0.864 113.687 114.554 -0.004 0.000 2.737 309 T HA -0.121 4.229 4.350 0.000 0.000 0.265 309 T C 1.040 175.738 174.700 -0.004 0.000 1.038 309 T CA 1.369 63.471 62.100 0.003 0.000 1.144 309 T CB -0.015 68.864 68.868 0.018 0.000 0.866 309 T HN 0.190 nan 8.240 nan 0.000 0.434 310 D N 0.809 121.204 120.400 -0.008 0.000 2.339 310 D HA 0.145 4.785 4.640 0.000 0.000 0.217 310 D C -0.224 176.061 176.300 -0.025 0.000 1.050 310 D CA 0.165 54.158 54.000 -0.012 0.000 0.856 310 D CB 0.309 41.104 40.800 -0.008 0.000 0.922 310 D HN 0.216 nan 8.370 nan 0.000 0.518 311 V N 2.210 122.105 119.914 -0.032 0.000 2.257 311 V HA 0.166 4.286 4.120 0.000 0.000 0.269 311 V C -1.582 174.490 176.094 -0.037 0.000 1.040 311 V CA -1.189 61.084 62.300 -0.045 0.000 0.813 311 V CB 1.617 33.402 31.823 -0.064 0.000 1.065 311 V HN -0.135 nan 8.190 nan 0.000 0.457 312 P HA -0.084 nan 4.420 nan 0.000 0.215 312 P C 0.915 178.199 177.300 -0.026 0.000 1.157 312 P CA 1.026 64.111 63.100 -0.024 0.000 0.859 312 P CB 0.313 32.001 31.700 -0.020 0.000 0.786 313 Q N -0.644 119.138 119.800 -0.031 0.000 2.375 313 Q HA 0.472 4.812 4.340 0.000 0.000 0.316 313 Q C -0.462 175.516 176.000 -0.036 0.000 0.927 313 Q CA -0.490 55.295 55.803 -0.030 0.000 1.029 313 Q CB 0.154 28.876 28.738 -0.027 0.000 1.202 313 Q HN 0.106 nan 8.270 nan 0.000 0.431 314 A N -0.646 122.150 122.820 -0.039 0.000 2.386 314 A HA 0.933 5.253 4.320 0.000 0.000 0.311 314 A C 0.006 177.568 177.584 -0.036 0.000 1.068 314 A CA -0.141 51.870 52.037 -0.043 0.000 0.743 314 A CB 1.564 20.530 19.000 -0.057 0.000 1.258 314 A HN 0.384 nan 8.150 nan 0.000 0.429 315 G N -0.058 108.721 108.800 -0.035 0.000 2.795 315 G HA2 0.442 4.402 3.960 0.000 0.000 0.127 315 G HA3 0.442 4.402 3.960 0.000 0.000 0.127 315 G C -1.042 173.839 174.900 -0.032 0.000 1.203 315 G CA -0.757 44.324 45.100 -0.031 0.000 1.145 315 G HN 0.757 nan 8.290 nan 0.000 0.580 316 L N 1.884 123.091 121.223 -0.028 0.000 2.534 316 L HA 0.362 4.702 4.340 0.000 0.000 0.271 316 L C 1.617 178.470 176.870 -0.028 0.000 1.178 316 L CA 1.625 56.448 54.840 -0.028 0.000 0.907 316 L CB 0.478 42.522 42.059 -0.024 0.000 1.164 316 L HN 1.500 nan 8.230 nan 0.000 0.482 317 G N 1.978 110.760 108.800 -0.031 0.000 2.176 317 G HA2 -0.265 3.695 3.960 0.000 0.000 0.253 317 G HA3 -0.265 3.695 3.960 0.000 0.000 0.253 317 G C 0.379 175.260 174.900 -0.030 0.000 0.979 317 G CA 0.085 45.167 45.100 -0.029 0.000 0.641 317 G HN 0.547 nan 8.290 nan 0.000 0.530 318 S N 1.417 117.096 115.700 -0.034 0.000 2.549 318 S HA 0.490 4.960 4.470 0.000 0.000 0.279 318 S C 0.761 175.339 174.600 -0.037 0.000 1.321 318 S CA 0.457 58.635 58.200 -0.036 0.000 1.054 318 S CB 0.981 64.155 63.200 -0.043 0.000 0.899 318 S HN 0.452 nan 8.310 nan 0.000 0.497 319 T N 3.339 117.877 114.554 -0.028 0.000 2.851 319 T HA 0.323 4.673 4.350 0.000 0.000 0.298 319 T C -0.152 174.540 174.700 -0.013 0.000 0.977 319 T CA -0.402 61.686 62.100 -0.019 0.000 1.126 319 T CB 0.424 69.291 68.868 -0.002 0.000 0.916 319 T HN 0.317 nan 8.240 nan 0.000 0.529 320 V N 3.459 123.360 119.914 -0.022 0.000 2.444 320 V HA 0.342 4.462 4.120 0.000 0.000 0.294 320 V C 0.161 176.254 176.094 -0.002 0.000 1.022 320 V CA -0.900 61.393 62.300 -0.012 0.000 0.850 320 V CB 1.656 33.444 31.823 -0.058 0.000 0.992 320 V HN 0.878 nan 8.190 nan 0.000 0.426 321 E N 4.046 124.299 120.200 0.088 0.000 2.167 321 E HA 0.284 4.634 4.350 0.000 0.000 0.284 321 E C 0.002 176.620 176.600 0.030 0.000 1.016 321 E CA -0.660 55.773 56.400 0.055 0.000 0.817 321 E CB 1.151 30.921 29.700 0.117 0.000 1.080 321 E HN 0.503 nan 8.360 nan 0.000 0.397 322 L N 4.215 125.382 121.223 -0.093 0.000 2.168 322 L HA 0.123 4.463 4.340 0.000 0.000 0.203 322 L C 0.325 177.311 176.870 0.194 0.000 1.078 322 L CA 1.121 55.929 54.840 -0.053 0.000 0.780 322 L CB -1.066 40.803 42.059 -0.317 0.000 0.939 322 L HN 0.643 nan 8.230 nan 0.000 0.451 323 W N -2.366 119.002 121.300 0.114 0.000 3.248 323 W HA 0.612 5.272 4.660 0.000 0.000 0.311 323 W C -0.307 176.247 176.519 0.059 0.000 1.258 323 W CA -0.481 56.912 57.345 0.081 0.000 1.191 323 W CB 0.414 29.928 29.460 0.089 0.000 1.389 323 W HN 0.087 nan 8.180 nan 0.000 0.561 324 G N 0.815 109.820 108.800 0.341 0.000 2.593 324 G HA2 0.062 4.022 3.960 0.000 0.000 0.103 324 G HA3 0.062 4.022 3.960 0.000 0.000 0.103 324 G C -0.037 174.926 174.900 0.104 0.000 1.103 324 G CA -0.309 44.919 45.100 0.213 0.000 1.109 324 G HN 0.452 nan 8.290 nan 0.000 0.516 325 K N 0.506 120.912 120.400 0.010 0.000 2.305 325 K HA 0.148 4.468 4.320 0.000 0.000 0.199 325 K C 1.766 178.295 176.600 -0.120 0.000 1.047 325 K CA 0.742 57.011 56.287 -0.031 0.000 0.976 325 K CB 0.097 32.578 32.500 -0.032 0.000 0.765 325 K HN 0.229 nan 8.250 nan 0.000 0.474 326 N N 0.344 118.884 118.700 -0.266 0.000 2.349 326 N HA 0.026 4.766 4.740 0.000 0.000 0.180 326 N C 0.218 175.512 175.510 -0.361 0.000 1.024 326 N CA 0.658 53.386 53.050 -0.537 0.000 0.869 326 N CB 0.641 38.260 38.487 -1.448 0.000 1.022 326 N HN 0.006 nan 8.380 nan 0.000 0.433 327 I N 2.975 123.417 120.570 -0.214 0.000 2.330 327 I HA 0.288 4.458 4.170 0.000 0.000 0.286 327 I C 0.098 176.265 176.117 0.083 0.000 1.025 327 I CA -0.504 60.794 61.300 -0.004 0.000 1.197 327 I CB 0.836 38.897 38.000 0.102 0.000 1.358 327 I HN -0.073 nan 8.210 nan 0.000 0.467 328 L N 4.827 126.084 121.223 0.057 0.000 2.453 328 L HA 0.163 4.503 4.340 0.000 0.000 0.272 328 L C 1.776 178.669 176.870 0.037 0.000 1.182 328 L CA -0.122 54.755 54.840 0.063 0.000 0.858 328 L CB 0.886 42.966 42.059 0.035 0.000 1.120 328 L HN 0.722 nan 8.230 nan 0.000 0.474 329 A N 2.202 125.005 122.820 -0.029 0.000 1.978 329 A HA -0.204 4.116 4.320 0.000 0.000 0.220 329 A C 2.326 179.708 177.584 -0.337 0.000 1.170 329 A CA 2.005 53.829 52.037 -0.356 0.000 0.636 329 A CB -0.605 17.935 19.000 -0.767 0.000 0.810 329 A HN 0.913 nan 8.150 nan 0.000 0.448 330 S N -0.134 115.454 115.700 -0.187 0.000 2.399 330 S HA -0.199 4.271 4.470 0.000 0.000 0.231 330 S C 1.608 176.155 174.600 -0.087 0.000 1.022 330 S CA 1.379 59.498 58.200 -0.135 0.000 0.983 330 S CB -0.435 62.731 63.200 -0.056 0.000 0.803 330 S HN 0.708 nan 8.310 nan 0.000 0.480 331 E N 0.900 121.072 120.200 -0.047 0.000 2.072 331 E HA -0.057 4.293 4.350 0.000 0.000 0.191 331 E C 2.155 178.743 176.600 -0.020 0.000 0.985 331 E CA 1.313 57.707 56.400 -0.010 0.000 0.801 331 E CB -0.316 29.401 29.700 0.029 0.000 0.750 331 E HN 0.442 nan 8.360 nan 0.000 0.452 332 V N 1.368 121.262 119.914 -0.034 0.000 2.358 332 V HA -0.224 3.896 4.120 0.000 0.000 0.246 332 V C 2.312 178.322 176.094 -0.140 0.000 1.047 332 V CA 1.719 63.992 62.300 -0.045 0.000 1.035 332 V CB -0.720 31.116 31.823 0.022 0.000 0.658 332 V HN 0.286 nan 8.190 nan 0.000 0.452 333 A N -0.487 122.206 122.820 -0.210 0.000 1.873 333 A HA -0.241 4.079 4.320 0.000 0.000 0.215 333 A C 2.456 179.968 177.584 -0.121 0.000 1.186 333 A CA 2.492 54.400 52.037 -0.215 0.000 0.616 333 A CB -1.009 17.828 19.000 -0.272 0.000 0.823 333 A HN 0.433 nan 8.150 nan 0.000 0.442 334 T N -0.713 113.791 114.554 -0.084 0.000 2.867 334 T HA 0.065 4.415 4.350 0.000 0.000 0.268 334 T C 1.905 176.586 174.700 -0.031 0.000 1.057 334 T CA 1.648 63.723 62.100 -0.043 0.000 1.136 334 T CB -0.379 68.476 68.868 -0.020 0.000 0.874 334 T HN 0.513 nan 8.240 nan 0.000 0.466 335 A N 0.609 123.411 122.820 -0.032 0.000 1.929 335 A HA 0.418 4.738 4.320 0.000 0.000 0.216 335 A C 2.325 179.894 177.584 -0.026 0.000 1.176 335 A CA 1.398 53.426 52.037 -0.015 0.000 0.628 335 A CB -0.733 18.268 19.000 0.002 0.000 0.816 335 A HN 0.546 nan 8.150 nan 0.000 0.444 336 A N -1.148 121.639 122.820 -0.055 0.000 2.276 336 A HA 0.264 4.584 4.320 0.000 0.000 0.212 336 A C 0.598 178.148 177.584 -0.056 0.000 1.230 336 A CA 0.677 52.676 52.037 -0.064 0.000 0.844 336 A CB -0.431 18.503 19.000 -0.110 0.000 0.860 336 A HN 0.472 nan 8.150 nan 0.000 0.486 337 D N -0.592 119.782 120.400 -0.043 0.000 2.705 337 D HA -0.135 4.505 4.640 0.000 0.000 0.240 337 D C 0.112 176.387 176.300 -0.042 0.000 1.137 337 D CA 1.541 55.521 54.000 -0.033 0.000 0.677 337 D CB -1.004 39.782 40.800 -0.023 0.000 1.049 337 D HN 0.492 nan 8.370 nan 0.000 0.427 338 T N -1.175 113.345 114.554 -0.056 0.000 2.671 338 T HA 0.677 5.027 4.350 0.000 0.000 0.300 338 T C -0.609 174.056 174.700 -0.058 0.000 1.238 338 T CA -0.503 61.561 62.100 -0.059 0.000 1.020 338 T CB 1.416 70.236 68.868 -0.080 0.000 1.503 338 T HN 0.227 nan 8.240 nan 0.000 0.497 339 I N 0.334 120.881 120.570 -0.038 0.000 2.607 339 I HA 0.600 4.770 4.170 0.000 0.000 0.305 339 I C -1.778 174.294 176.117 -0.074 0.000 0.995 339 I CA -2.834 58.471 61.300 0.010 0.000 1.148 339 I CB 2.124 40.220 38.000 0.160 0.000 1.323 339 I HN 0.368 nan 8.210 nan 0.000 0.461 340 P HA -0.206 nan 4.420 nan 0.000 0.218 340 P C 1.328 178.398 177.300 -0.383 0.000 1.148 340 P CA 1.666 64.474 63.100 -0.487 0.000 0.822 340 P CB -0.098 31.327 31.700 -0.458 0.000 0.784 341 Y N 0.707 120.967 120.300 -0.067 0.000 2.062 341 Y HA -0.254 4.296 4.550 0.000 0.000 0.276 341 Y C 3.153 179.019 175.900 -0.057 0.000 1.189 341 Y CA 2.133 60.262 58.100 0.049 0.000 1.130 341 Y CB -1.317 37.144 38.460 0.001 0.000 0.959 341 Y HN 0.056 nan 8.280 nan 0.000 0.499 342 Q N 0.511 120.341 119.800 0.049 0.000 2.046 342 Q HA -0.174 4.166 4.340 0.000 0.000 0.200 342 Q C 2.228 178.186 176.000 -0.069 0.000 0.975 342 Q CA 2.077 57.865 55.803 -0.025 0.000 0.836 342 Q CB -0.308 28.402 28.738 -0.047 0.000 0.896 342 Q HN 0.739 nan 8.270 nan 0.000 0.428 343 I N -2.615 117.828 120.570 -0.211 0.000 2.614 343 I HA -0.143 4.027 4.170 0.000 0.000 0.258 343 I C 1.705 177.740 176.117 -0.136 0.000 1.189 343 I CA 0.990 62.139 61.300 -0.252 0.000 1.462 343 I CB -0.492 37.188 38.000 -0.534 0.000 1.092 343 I HN 0.084 nan 8.210 nan 0.000 0.442 344 F N 1.117 120.990 119.950 -0.129 0.000 2.113 344 F HA -0.163 4.364 4.527 0.000 0.000 0.297 344 F C 2.708 178.509 175.800 0.000 0.000 1.103 344 F CA 0.991 58.965 58.000 -0.044 0.000 1.248 344 F CB -0.353 38.647 39.000 0.002 0.000 0.999 344 F HN 0.221 nan 8.300 nan 0.000 0.475 345 C N 0.133 119.539 119.300 0.175 0.000 2.435 345 C HA -0.136 4.324 4.460 0.000 0.000 0.279 345 C C 2.214 177.250 174.990 0.076 0.000 1.321 345 C CA 0.689 59.755 59.018 0.079 0.000 1.752 345 C CB -1.246 26.495 27.740 0.001 0.000 1.959 345 C HN 0.437 nan 8.230 nan 0.000 0.500 346 N N 0.865 119.618 118.700 0.089 0.000 2.550 346 N HA 0.021 4.761 4.740 0.000 0.000 0.186 346 N C 0.286 175.870 175.510 0.124 0.000 1.110 346 N CA 0.197 53.303 53.050 0.095 0.000 0.912 346 N CB -0.454 38.089 38.487 0.095 0.000 0.968 346 N HN 0.440 nan 8.380 nan 0.000 0.448 347 L N 1.282 122.595 121.223 0.150 0.000 2.559 347 L HA 0.003 4.343 4.340 0.000 0.000 0.274 347 L C 0.189 177.105 176.870 0.077 0.000 1.205 347 L CA 0.980 55.902 54.840 0.137 0.000 0.907 347 L CB 0.143 42.285 42.059 0.139 0.000 1.153 347 L HN -0.048 nan 8.230 nan 0.000 0.490 348 K N 3.486 123.922 120.400 0.060 0.000 2.533 348 K HA 0.411 4.731 4.320 0.000 0.000 0.272 348 K C 0.213 176.822 176.600 0.016 0.000 0.985 348 K CA -0.586 55.723 56.287 0.037 0.000 0.876 348 K CB 2.217 34.743 32.500 0.042 0.000 1.452 348 K HN 0.512 nan 8.250 nan 0.000 0.439 349 R N -0.689 119.816 120.500 0.008 0.000 3.075 349 R HA -0.231 4.109 4.340 0.000 0.000 0.235 349 R C -0.022 176.269 176.300 -0.015 0.000 0.799 349 R CA 1.778 57.876 56.100 -0.004 0.000 1.783 349 R CB -1.769 28.525 30.300 -0.010 0.000 1.344 349 R HN 0.441 nan 8.270 nan 0.000 0.587 350 V N 1.049 120.950 119.914 -0.023 0.000 2.655 350 V HA 0.410 4.530 4.120 0.000 0.000 0.300 350 V C -1.766 174.306 176.094 -0.036 0.000 1.044 350 V CA -1.036 61.239 62.300 -0.040 0.000 1.095 350 V CB 0.466 32.252 31.823 -0.062 0.000 0.952 350 V HN 0.216 nan 8.190 nan 0.000 0.485 351 P HA 0.348 nan 4.420 nan 0.000 0.276 351 P C -0.737 176.521 177.300 -0.070 0.000 1.235 351 P CA -0.302 62.778 63.100 -0.034 0.000 0.772 351 P CB 0.596 32.280 31.700 -0.027 0.000 0.871 352 R N 2.492 122.945 120.500 -0.079 0.000 2.234 352 R HA 0.428 4.768 4.340 0.000 0.000 0.324 352 R C -0.064 176.064 176.300 -0.288 0.000 1.054 352 R CA -0.266 55.698 56.100 -0.226 0.000 0.912 352 R CB 0.206 30.346 30.300 -0.266 0.000 1.030 352 R HN 0.468 nan 8.270 nan 0.000 0.455 353 L N 4.299 125.329 121.223 -0.322 0.000 2.295 353 L HA 0.450 4.790 4.340 0.000 0.000 0.285 353 L C -0.742 175.927 176.870 -0.334 0.000 1.035 353 L CA -0.798 53.919 54.840 -0.205 0.000 0.806 353 L CB 0.812 42.816 42.059 -0.091 0.000 1.214 353 L HN 0.502 nan 8.230 nan 0.000 0.426 354 Y N 1.342 121.652 120.300 0.017 0.000 2.352 354 Y HA 0.598 5.148 4.550 0.000 0.000 0.339 354 Y C 0.468 176.380 175.900 0.020 0.000 0.992 354 Y CA -0.369 57.745 58.100 0.023 0.000 1.100 354 Y CB 2.143 40.617 38.460 0.022 0.000 1.192 354 Y HN 0.680 nan 8.280 nan 0.000 0.458 355 S N 0.803 116.596 115.700 0.156 0.000 2.757 355 S HA 0.957 5.427 4.470 0.000 0.000 0.285 355 S C -0.290 174.362 174.600 0.086 0.000 1.196 355 S CA -0.425 57.833 58.200 0.097 0.000 0.856 355 S CB 1.581 64.815 63.200 0.056 0.000 1.212 355 S HN 1.646 nan 8.310 nan 0.000 0.516 356 G N 0.000 108.836 108.800 0.060 0.000 5.446 356 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 356 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 356 G CA 0.000 45.130 45.100 0.051 0.000 0.502 356 G HN 0.000 nan 8.290 nan 0.000 0.925