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 2vfw_1_B DATA FIRST_RESID 30 DATA SEQUENCE DLPRHIAVLC DGNRRWARSA GYDDVSYGYR MGAAKIAEML RWCHEAGIEL DATA SEQUENCE ATVYLLSTEN LQRDPDELAA LIEIITDVVE EICAPANHWS VRTVGDLGLI DATA SEQUENCE GEEPARRLRG AVESTPEVAS FHVNVAVGYG GRREIVDAVR ALLSKELANG DATA SEQUENCE ATAEELVDAV TVEGISENLY TSGQPDPDLV IRTSGEQRLS GFLLWQSAYS DATA SEQUENCE EMWFTEAHWP AFRHVDFLRA LRDYSAR 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 30 D HA 0.000 nan 4.640 nan 0.000 0.175 30 D C 0.000 176.433 176.300 0.222 0.000 2.045 30 D CA 0.000 54.091 54.000 0.152 0.000 0.868 30 D CB 0.000 40.844 40.800 0.073 0.000 0.688 31 L N 1.790 123.096 121.223 0.138 0.000 2.325 31 L HA 0.673 5.012 4.340 -0.001 0.000 0.278 31 L C -2.418 174.406 176.870 -0.076 0.000 1.023 31 L CA -1.934 52.918 54.840 0.019 0.000 0.811 31 L CB 1.598 43.662 42.059 0.008 0.000 1.249 31 L HN -0.080 nan 8.230 nan 0.000 0.431 32 P HA 0.189 nan 4.420 nan 0.000 0.271 32 P C -0.093 177.144 177.300 -0.105 0.000 1.233 32 P CA -0.070 62.787 63.100 -0.406 0.000 0.764 32 P CB 0.643 31.994 31.700 -0.581 0.000 0.825 33 R N 2.278 122.766 120.500 -0.021 0.000 2.115 33 R HA -0.049 4.290 4.340 -0.001 0.000 0.226 33 R C 0.375 176.730 176.300 0.091 0.000 1.100 33 R CA 0.938 57.063 56.100 0.041 0.000 0.980 33 R CB 0.030 30.361 30.300 0.052 0.000 0.875 33 R HN 0.628 nan 8.270 nan 0.000 0.445 34 H N -0.634 118.403 119.070 -0.055 0.000 3.096 34 H HA 0.296 4.852 4.556 -0.001 0.000 0.335 34 H C -1.312 173.977 175.328 -0.065 0.000 0.990 34 H CA -0.818 55.198 56.048 -0.054 0.000 1.393 34 H CB 0.884 30.610 29.762 -0.060 0.000 1.742 34 H HN -0.026 nan 8.280 nan 0.000 0.501 35 I N 4.208 124.910 120.570 0.220 0.000 2.359 35 I HA 0.448 4.618 4.170 -0.001 0.000 0.294 35 I C -0.113 176.077 176.117 0.121 0.000 0.987 35 I CA -0.629 60.721 61.300 0.083 0.000 1.225 35 I CB 1.565 39.633 38.000 0.113 0.000 1.366 35 I HN 0.592 nan 8.210 nan 0.000 0.466 36 A N 6.846 129.664 122.820 -0.003 0.000 2.318 36 A HA 0.749 5.068 4.320 -0.001 0.000 0.317 36 A C -0.735 176.897 177.584 0.081 0.000 1.159 36 A CA -0.478 51.589 52.037 0.050 0.000 0.799 36 A CB 1.198 20.157 19.000 -0.068 0.000 1.194 36 A HN 0.448 nan 8.150 nan 0.000 0.479 37 V N 2.841 122.796 119.914 0.068 0.000 2.448 37 V HA 0.514 4.633 4.120 -0.001 0.000 0.295 37 V C -0.623 175.337 176.094 -0.223 0.000 1.025 37 V CA -0.485 61.753 62.300 -0.103 0.000 0.859 37 V CB 1.070 32.761 31.823 -0.219 0.000 0.988 37 V HN 0.720 nan 8.190 nan 0.000 0.431 38 L N 4.043 125.107 121.223 -0.265 0.000 2.296 38 L HA 0.503 4.843 4.340 -0.001 0.000 0.286 38 L C -0.204 176.424 176.870 -0.403 0.000 1.023 38 L CA 0.042 54.700 54.840 -0.305 0.000 0.812 38 L CB 1.580 43.547 42.059 -0.154 0.000 1.223 38 L HN 0.729 nan 8.230 nan 0.000 0.421 39 C N 1.518 120.518 119.300 -0.501 0.000 2.250 39 C HA 0.333 4.793 4.460 -0.001 0.000 0.380 39 C C -0.018 174.893 174.990 -0.133 0.000 1.075 39 C CA -1.274 57.366 59.018 -0.631 0.000 1.577 39 C CB -1.385 25.679 27.740 -1.126 0.000 1.608 39 C HN 0.629 nan 8.230 nan 0.000 0.477 40 D N 0.919 121.343 120.400 0.040 0.000 2.255 40 D HA 0.439 5.078 4.640 -0.001 0.000 0.249 40 D C 1.024 177.488 176.300 0.272 0.000 1.078 40 D CA 0.820 54.907 54.000 0.145 0.000 0.896 40 D CB 1.633 42.528 40.800 0.158 0.000 1.194 40 D HN 0.801 nan 8.370 nan 0.000 0.429 41 G N 2.232 111.177 108.800 0.242 0.000 2.134 41 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.209 41 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.209 41 G C 0.980 176.009 174.900 0.215 0.000 0.993 41 G CA -0.227 45.031 45.100 0.263 0.000 0.669 41 G HN 0.393 nan 8.290 nan 0.000 0.519 42 N N 0.432 119.247 118.700 0.192 0.000 2.058 42 N HA -0.051 4.689 4.740 -0.001 0.000 0.191 42 N C 2.370 177.905 175.510 0.041 0.000 1.037 42 N CA 1.637 54.764 53.050 0.127 0.000 0.848 42 N CB -0.306 38.261 38.487 0.132 0.000 1.021 42 N HN 0.655 nan 8.380 nan 0.000 0.422 43 R N 0.531 120.991 120.500 -0.066 0.000 2.073 43 R HA 0.123 4.463 4.340 -0.001 0.000 0.229 43 R C 2.332 178.622 176.300 -0.017 0.000 1.120 43 R CA 0.785 56.832 56.100 -0.088 0.000 0.967 43 R CB -0.140 30.102 30.300 -0.096 0.000 0.862 43 R HN 0.195 nan 8.270 nan 0.000 0.436 44 R N -0.242 120.232 120.500 -0.044 0.000 2.081 44 R HA -0.196 4.144 4.340 -0.001 0.000 0.235 44 R C 1.974 178.113 176.300 -0.268 0.000 1.131 44 R CA 1.780 57.789 56.100 -0.152 0.000 0.960 44 R CB -0.363 29.823 30.300 -0.189 0.000 0.856 44 R HN 0.339 nan 8.270 nan 0.000 0.436 45 W N 1.062 122.084 121.300 -0.463 0.000 2.338 45 W HA -0.211 4.448 4.660 -0.002 0.000 0.304 45 W C 2.091 178.618 176.519 0.014 0.000 1.212 45 W CA 1.890 59.091 57.345 -0.240 0.000 1.264 45 W CB -0.214 29.243 29.460 -0.005 0.000 1.142 45 W HN 0.091 nan 8.180 nan 0.000 0.512 46 A N 0.236 123.160 122.820 0.174 0.000 1.968 46 A HA -0.082 4.237 4.320 -0.001 0.000 0.217 46 A C 2.030 179.621 177.584 0.011 0.000 1.169 46 A CA 1.495 53.629 52.037 0.161 0.000 0.638 46 A CB -0.782 18.442 19.000 0.374 0.000 0.812 46 A HN 0.414 nan 8.150 nan 0.000 0.446 47 R N -0.132 120.340 120.500 -0.047 0.000 2.090 47 R HA -0.069 4.270 4.340 -0.001 0.000 0.228 47 R C 2.223 178.429 176.300 -0.156 0.000 1.110 47 R CA 1.553 57.605 56.100 -0.080 0.000 0.973 47 R CB -0.257 30.013 30.300 -0.051 0.000 0.869 47 R HN 0.455 nan 8.270 nan 0.000 0.440 48 S N 0.578 116.160 115.700 -0.197 0.000 2.359 48 S HA -0.194 4.275 4.470 -0.001 0.000 0.223 48 S C 1.873 176.298 174.600 -0.291 0.000 1.039 48 S CA 1.490 59.570 58.200 -0.200 0.000 1.042 48 S CB -0.316 62.785 63.200 -0.164 0.000 0.915 48 S HN 0.576 nan 8.310 nan 0.000 0.439 49 A N 0.338 122.870 122.820 -0.480 0.000 2.239 49 A HA 0.413 4.732 4.320 -0.001 0.000 0.209 49 A C 1.485 178.676 177.584 -0.657 0.000 1.171 49 A CA 0.848 52.519 52.037 -0.609 0.000 0.768 49 A CB -1.043 17.436 19.000 -0.869 0.000 0.790 49 A HN 1.092 nan 8.150 nan 0.000 0.478 50 G N -1.619 106.914 108.800 -0.445 0.000 2.289 50 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.280 50 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.280 50 G C -0.378 174.312 174.900 -0.351 0.000 1.089 50 G CA 0.115 45.021 45.100 -0.323 0.000 0.939 50 G HN 0.412 nan 8.290 nan 0.000 0.499 51 Y N 0.399 120.619 120.300 -0.133 0.000 2.477 51 Y HA 0.299 4.849 4.550 -0.001 0.000 0.349 51 Y C 1.440 177.301 175.900 -0.064 0.000 0.977 51 Y CA -0.925 57.112 58.100 -0.106 0.000 1.214 51 Y CB 1.097 39.516 38.460 -0.069 0.000 1.124 51 Y HN 0.259 nan 8.280 nan 0.000 0.521 52 D N 1.314 121.761 120.400 0.077 0.000 2.158 52 D HA -0.211 4.428 4.640 -0.001 0.000 0.197 52 D C -0.052 176.283 176.300 0.058 0.000 0.995 52 D CA 1.368 55.393 54.000 0.041 0.000 0.846 52 D CB 0.239 41.050 40.800 0.018 0.000 0.941 52 D HN 0.517 nan 8.370 nan 0.000 0.456 53 D N 0.171 120.619 120.400 0.079 0.000 2.479 53 D HA 0.030 4.669 4.640 -0.001 0.000 0.218 53 D C 1.589 177.945 176.300 0.093 0.000 1.131 53 D CA -0.190 53.852 54.000 0.070 0.000 0.916 53 D CB 1.310 42.142 40.800 0.052 0.000 1.022 53 D HN -0.026 nan 8.370 nan 0.000 0.515 54 V N 1.807 121.757 119.914 0.061 0.000 3.141 54 V HA -0.137 3.982 4.120 -0.001 0.000 0.265 54 V C 1.974 178.017 176.094 -0.086 0.000 1.126 54 V CA 1.585 63.893 62.300 0.013 0.000 1.141 54 V CB -0.602 31.204 31.823 -0.028 0.000 0.743 54 V HN 0.439 nan 8.190 nan 0.000 0.492 55 S N -0.580 115.127 115.700 0.012 0.000 2.447 55 S HA -0.239 4.231 4.470 -0.001 0.000 0.233 55 S C 1.874 176.511 174.600 0.061 0.000 1.006 55 S CA 1.275 59.519 58.200 0.072 0.000 0.957 55 S CB -1.026 62.277 63.200 0.173 0.000 0.773 55 S HN 0.734 nan 8.310 nan 0.000 0.507 56 Y N 2.946 123.211 120.300 -0.058 0.000 2.207 56 Y HA 0.006 4.556 4.550 -0.001 0.000 0.287 56 Y C 2.434 178.311 175.900 -0.038 0.000 1.156 56 Y CA 1.037 59.086 58.100 -0.084 0.000 1.182 56 Y CB -1.069 37.254 38.460 -0.229 0.000 0.979 56 Y HN 0.314 nan 8.280 nan 0.000 0.521 57 G N -1.029 107.745 108.800 -0.043 0.000 2.469 57 G HA2 -0.324 3.636 3.960 -0.001 0.000 0.220 57 G HA3 -0.324 3.636 3.960 -0.001 0.000 0.220 57 G C 1.309 176.128 174.900 -0.134 0.000 1.136 57 G CA 1.259 46.343 45.100 -0.025 0.000 0.759 57 G HN 0.472 nan 8.290 nan 0.000 0.562 58 Y N 0.979 121.259 120.300 -0.033 0.000 2.242 58 Y HA 0.012 4.561 4.550 -0.001 0.000 0.291 58 Y C 2.981 178.815 175.900 -0.110 0.000 1.137 58 Y CA 0.800 58.870 58.100 -0.050 0.000 1.181 58 Y CB -0.444 37.998 38.460 -0.030 0.000 0.989 58 Y HN 0.114 nan 8.280 nan 0.000 0.527 59 R N -0.912 119.565 120.500 -0.039 0.000 2.083 59 R HA -0.220 4.119 4.340 -0.001 0.000 0.237 59 R C 2.220 178.388 176.300 -0.221 0.000 1.137 59 R CA 1.859 57.873 56.100 -0.143 0.000 0.951 59 R CB -0.641 29.533 30.300 -0.211 0.000 0.851 59 R HN 0.283 nan 8.270 nan 0.000 0.434 60 M N 0.579 119.943 119.600 -0.393 0.000 2.159 60 M HA -0.023 4.456 4.480 -0.001 0.000 0.263 60 M C 2.083 178.218 176.300 -0.276 0.000 1.063 60 M CA 1.704 56.763 55.300 -0.403 0.000 1.110 60 M CB -0.618 31.592 32.600 -0.651 0.000 1.374 60 M HN 0.223 nan 8.290 nan 0.000 0.411 61 G N -0.971 107.747 108.800 -0.136 0.000 2.422 61 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.218 61 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.218 61 G C 1.546 176.570 174.900 0.207 0.000 1.146 61 G CA 0.951 46.142 45.100 0.152 0.000 0.769 61 G HN 0.638 nan 8.290 nan 0.000 0.547 62 A N 1.191 124.056 122.820 0.075 0.000 1.902 62 A HA 0.292 4.611 4.320 -0.001 0.000 0.217 62 A C 2.821 180.414 177.584 0.014 0.000 1.181 62 A CA 2.170 54.235 52.037 0.047 0.000 0.623 62 A CB -0.783 18.220 19.000 0.004 0.000 0.818 62 A HN 0.759 nan 8.150 nan 0.000 0.443 63 A N -0.416 122.377 122.820 -0.045 0.000 1.902 63 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 63 A C 2.083 179.609 177.584 -0.096 0.000 1.181 63 A CA 2.331 54.323 52.037 -0.076 0.000 0.623 63 A CB -0.391 18.545 19.000 -0.107 0.000 0.818 63 A HN 0.378 nan 8.150 nan 0.000 0.443 64 K N 0.140 120.471 120.400 -0.116 0.000 2.057 64 K HA 0.023 4.343 4.320 -0.001 0.000 0.207 64 K C 1.622 178.206 176.600 -0.027 0.000 1.049 64 K CA 1.266 57.428 56.287 -0.208 0.000 0.931 64 K CB -0.570 31.620 32.500 -0.516 0.000 0.714 64 K HN 0.556 nan 8.250 nan 0.000 0.440 65 I N 0.203 120.928 120.570 0.259 0.000 2.151 65 I HA -0.350 3.819 4.170 -0.001 0.000 0.243 65 I C 2.190 178.340 176.117 0.055 0.000 1.080 65 I CA 1.423 62.879 61.300 0.261 0.000 1.339 65 I CB -0.468 37.629 38.000 0.162 0.000 1.039 65 I HN 0.188 nan 8.210 nan 0.000 0.409 66 A N 0.296 123.120 122.820 0.007 0.000 1.892 66 A HA -0.241 4.078 4.320 -0.001 0.000 0.218 66 A C 2.263 179.758 177.584 -0.148 0.000 1.188 66 A CA 1.757 53.788 52.037 -0.009 0.000 0.631 66 A CB -0.531 18.455 19.000 -0.023 0.000 0.822 66 A HN 0.370 nan 8.150 nan 0.000 0.447 67 E N -1.060 118.935 120.200 -0.340 0.000 2.110 67 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 67 E C 1.941 177.676 176.600 -1.442 0.000 0.988 67 E CA 1.582 57.534 56.400 -0.746 0.000 0.804 67 E CB -0.398 28.889 29.700 -0.689 0.000 0.745 67 E HN 0.655 nan 8.360 nan 0.000 0.458 68 M N 0.518 119.488 119.600 -1.050 0.000 2.108 68 M HA -0.137 4.343 4.480 -0.001 0.000 0.261 68 M C 2.037 178.128 176.300 -0.349 0.000 1.066 68 M CA 1.389 56.269 55.300 -0.701 0.000 1.107 68 M CB -0.335 32.296 32.600 0.052 0.000 1.356 68 M HN 0.027 nan 8.290 nan 0.000 0.406 69 L N -0.887 120.226 121.223 -0.183 0.000 2.093 69 L HA -0.171 4.168 4.340 -0.001 0.000 0.208 69 L C 2.713 179.447 176.870 -0.227 0.000 1.085 69 L CA 1.402 56.185 54.840 -0.095 0.000 0.755 69 L CB -0.750 41.316 42.059 0.012 0.000 0.904 69 L HN 0.379 nan 8.230 nan 0.000 0.435 70 R N -0.246 120.183 120.500 -0.118 0.000 2.073 70 R HA -0.202 4.138 4.340 -0.001 0.000 0.234 70 R C 2.262 178.534 176.300 -0.046 0.000 1.134 70 R CA 1.831 57.925 56.100 -0.010 0.000 0.952 70 R CB -0.217 30.064 30.300 -0.033 0.000 0.850 70 R HN 0.308 nan 8.270 nan 0.000 0.433 71 W N 0.500 121.668 121.300 -0.221 0.000 2.333 71 W HA -0.189 4.471 4.660 -0.001 0.000 0.316 71 W C 2.469 178.792 176.519 -0.327 0.000 1.215 71 W CA 0.161 57.277 57.345 -0.382 0.000 1.278 71 W CB -1.574 27.381 29.460 -0.842 0.000 1.154 71 W HN 0.216 nan 8.180 nan 0.000 0.486 72 C N -0.849 118.396 119.300 -0.091 0.000 2.388 72 C HA -0.279 4.180 4.460 -0.001 0.000 0.277 72 C C 2.657 177.536 174.990 -0.185 0.000 1.210 72 C CA 1.650 60.713 59.018 0.076 0.000 1.743 72 C CB -1.816 26.027 27.740 0.171 0.000 2.047 72 C HN 0.441 nan 8.230 nan 0.000 0.458 73 H N 1.153 119.725 119.070 -0.830 0.000 2.321 73 H HA -0.152 4.403 4.556 -0.001 0.000 0.295 73 H C 1.994 177.114 175.328 -0.347 0.000 1.102 73 H CA 2.330 57.735 56.048 -1.072 0.000 1.266 73 H CB -0.405 28.712 29.762 -1.075 0.000 1.363 73 H HN 0.585 nan 8.280 nan 0.000 0.492 74 E N -0.633 119.382 120.200 -0.309 0.000 2.208 74 E HA -0.004 4.345 4.350 -0.001 0.000 0.193 74 E C 2.250 178.804 176.600 -0.076 0.000 0.988 74 E CA 0.514 56.776 56.400 -0.231 0.000 0.828 74 E CB -0.025 29.625 29.700 -0.085 0.000 0.763 74 E HN 0.608 nan 8.360 nan 0.000 0.478 75 A N 0.489 123.330 122.820 0.035 0.000 2.014 75 A HA 0.080 4.399 4.320 -0.001 0.000 0.218 75 A C 1.766 179.380 177.584 0.050 0.000 1.163 75 A CA 1.266 53.372 52.037 0.115 0.000 0.652 75 A CB -0.222 18.951 19.000 0.290 0.000 0.808 75 A HN 0.343 nan 8.150 nan 0.000 0.449 76 G N -1.421 107.389 108.800 0.017 0.000 2.155 76 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.135 76 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.135 76 G C -0.142 174.811 174.900 0.089 0.000 1.023 76 G CA -0.096 45.022 45.100 0.031 0.000 0.688 76 G HN 0.358 nan 8.290 nan 0.000 0.499 77 I N 0.564 121.215 120.570 0.135 0.000 2.331 77 I HA 0.294 4.463 4.170 -0.001 0.000 0.292 77 I C 1.365 177.687 176.117 0.341 0.000 0.998 77 I CA -0.582 60.838 61.300 0.201 0.000 1.267 77 I CB 1.369 39.504 38.000 0.224 0.000 1.386 77 I HN 0.181 nan 8.210 nan 0.000 0.476 78 E N 4.391 124.716 120.200 0.208 0.000 2.158 78 E HA 0.015 4.364 4.350 -0.001 0.000 0.191 78 E C -0.402 176.199 176.600 0.001 0.000 0.982 78 E CA 0.783 57.285 56.400 0.170 0.000 0.823 78 E CB 0.371 30.101 29.700 0.049 0.000 0.766 78 E HN 0.277 nan 8.360 nan 0.000 0.468 79 L N -0.192 120.983 121.223 -0.081 0.000 2.470 79 L HA 0.569 4.908 4.340 -0.001 0.000 0.268 79 L C -1.786 174.975 176.870 -0.181 0.000 0.964 79 L CA -0.708 53.934 54.840 -0.330 0.000 0.839 79 L CB 1.848 43.585 42.059 -0.537 0.000 1.276 79 L HN -0.126 nan 8.230 nan 0.000 0.403 80 A N 2.590 125.250 122.820 -0.266 0.000 2.355 80 A HA 0.872 5.191 4.320 -0.001 0.000 0.317 80 A C -0.779 176.777 177.584 -0.046 0.000 1.094 80 A CA -0.443 51.584 52.037 -0.016 0.000 0.764 80 A CB 1.322 20.376 19.000 0.090 0.000 1.230 80 A HN 0.618 nan 8.150 nan 0.000 0.448 81 T N 2.442 117.061 114.554 0.110 0.000 2.833 81 T HA 0.512 4.862 4.350 -0.001 0.000 0.297 81 T C -0.133 174.655 174.700 0.145 0.000 1.015 81 T CA -0.369 61.798 62.100 0.111 0.000 0.963 81 T CB 0.664 69.636 68.868 0.173 0.000 0.955 81 T HN 1.031 nan 8.240 nan 0.000 0.449 82 V N 1.978 121.940 119.914 0.080 0.000 2.481 82 V HA 0.498 4.617 4.120 -0.001 0.000 0.286 82 V C -0.475 175.649 176.094 0.050 0.000 1.042 82 V CA -1.140 61.167 62.300 0.011 0.000 0.928 82 V CB 0.763 32.554 31.823 -0.054 0.000 0.986 82 V HN 0.875 nan 8.190 nan 0.000 0.462 83 Y N 3.965 124.062 120.300 -0.337 0.000 2.504 83 Y HA 0.438 4.987 4.550 -0.001 0.000 0.351 83 Y C 0.826 176.510 175.900 -0.360 0.000 0.988 83 Y CA -0.621 57.158 58.100 -0.535 0.000 1.239 83 Y CB 1.095 38.882 38.460 -1.122 0.000 1.128 83 Y HN 0.740 nan 8.280 nan 0.000 0.525 84 L N 5.291 126.356 121.223 -0.263 0.000 2.286 84 L HA 0.185 4.525 4.340 -0.001 0.000 0.203 84 L C -0.792 175.831 176.870 -0.412 0.000 1.068 84 L CA 0.285 54.950 54.840 -0.292 0.000 0.811 84 L CB 0.518 42.484 42.059 -0.155 0.000 0.989 84 L HN 0.481 nan 8.230 nan 0.000 0.467 85 L N -0.302 120.656 121.223 -0.442 0.000 2.543 85 L HA 0.345 4.684 4.340 -0.001 0.000 0.265 85 L C -0.560 176.128 176.870 -0.304 0.000 0.945 85 L CA -0.181 54.431 54.840 -0.379 0.000 0.869 85 L CB 1.997 43.935 42.059 -0.201 0.000 1.294 85 L HN -0.016 nan 8.230 nan 0.000 0.405 86 S N 0.570 116.075 115.700 -0.325 0.000 2.593 86 S HA 0.443 4.912 4.470 -0.001 0.000 0.297 86 S C 1.124 175.725 174.600 0.003 0.000 1.112 86 S CA 0.058 58.238 58.200 -0.033 0.000 1.043 86 S CB 1.403 64.607 63.200 0.006 0.000 1.054 86 S HN 0.806 nan 8.310 nan 0.000 0.516 87 T N -0.459 114.133 114.554 0.064 0.000 2.778 87 T HA -0.180 4.169 4.350 -0.001 0.000 0.269 87 T C 1.242 175.956 174.700 0.023 0.000 1.050 87 T CA 1.686 63.806 62.100 0.033 0.000 1.137 87 T CB -0.697 68.193 68.868 0.037 0.000 0.860 87 T HN 0.664 nan 8.240 nan 0.000 0.468 88 E N 1.686 121.909 120.200 0.038 0.000 2.058 88 E HA -0.108 4.241 4.350 -0.001 0.000 0.194 88 E C 2.314 178.916 176.600 0.003 0.000 0.997 88 E CA 1.265 57.682 56.400 0.030 0.000 0.801 88 E CB -0.307 29.424 29.700 0.051 0.000 0.746 88 E HN 0.486 nan 8.360 nan 0.000 0.450 89 N N 0.025 118.705 118.700 -0.033 0.000 2.309 89 N HA -0.093 4.646 4.740 -0.001 0.000 0.182 89 N C 1.393 176.878 175.510 -0.042 0.000 1.018 89 N CA 0.663 53.679 53.050 -0.056 0.000 0.876 89 N CB -0.076 38.330 38.487 -0.136 0.000 0.972 89 N HN 0.231 nan 8.380 nan 0.000 0.434 90 L N 0.715 121.918 121.223 -0.034 0.000 2.622 90 L HA -0.009 4.331 4.340 -0.001 0.000 0.233 90 L C 1.310 178.176 176.870 -0.007 0.000 1.156 90 L CA 0.498 55.324 54.840 -0.024 0.000 0.866 90 L CB -0.248 41.800 42.059 -0.019 0.000 0.980 90 L HN 0.017 nan 8.230 nan 0.000 0.448 91 Q N 0.175 119.976 119.800 0.001 0.000 2.360 91 Q HA 0.143 4.482 4.340 -0.001 0.000 0.202 91 Q C 0.569 176.579 176.000 0.016 0.000 0.915 91 Q CA 0.185 55.994 55.803 0.010 0.000 0.943 91 Q CB 0.229 28.977 28.738 0.016 0.000 1.064 91 Q HN 0.497 nan 8.270 nan 0.000 0.511 92 R N 1.489 121.998 120.500 0.015 0.000 2.649 92 R HA 0.108 4.447 4.340 -0.001 0.000 0.270 92 R C -0.076 176.239 176.300 0.025 0.000 1.105 92 R CA -0.417 55.700 56.100 0.029 0.000 1.193 92 R CB 0.288 30.614 30.300 0.043 0.000 1.120 92 R HN 0.012 nan 8.270 nan 0.000 0.561 93 D N 0.967 121.387 120.400 0.034 0.000 2.383 93 D HA 0.042 4.681 4.640 -0.001 0.000 0.252 93 D C -1.766 174.551 176.300 0.028 0.000 1.166 93 D CA -1.475 52.542 54.000 0.029 0.000 0.879 93 D CB 1.145 41.965 40.800 0.033 0.000 1.164 93 D HN 0.107 nan 8.370 nan 0.000 0.462 94 P HA -0.103 nan 4.420 nan 0.000 0.219 94 P C 0.446 177.757 177.300 0.018 0.000 1.146 94 P CA 0.884 63.992 63.100 0.013 0.000 0.808 94 P CB 0.176 31.881 31.700 0.009 0.000 0.779 95 D N -0.849 119.566 120.400 0.025 0.000 2.182 95 D HA -0.190 4.449 4.640 -0.001 0.000 0.201 95 D C 1.881 178.207 176.300 0.043 0.000 0.986 95 D CA 1.115 55.133 54.000 0.030 0.000 0.847 95 D CB -0.269 40.549 40.800 0.031 0.000 0.942 95 D HN 0.357 nan 8.370 nan 0.000 0.467 96 E N -0.601 119.633 120.200 0.055 0.000 2.340 96 E HA -0.010 4.340 4.350 -0.001 0.000 0.198 96 E C 1.813 178.455 176.600 0.069 0.000 0.961 96 E CA -0.153 56.302 56.400 0.092 0.000 0.905 96 E CB 0.163 29.937 29.700 0.124 0.000 0.884 96 E HN 0.132 nan 8.360 nan 0.000 0.491 97 L N 1.135 122.375 121.223 0.028 0.000 2.093 97 L HA 0.021 4.360 4.340 -0.001 0.000 0.208 97 L C 2.232 179.080 176.870 -0.036 0.000 1.085 97 L CA 2.003 56.831 54.840 -0.019 0.000 0.755 97 L CB -0.437 41.612 42.059 -0.017 0.000 0.904 97 L HN 0.144 nan 8.230 nan 0.000 0.435 98 A N -0.384 122.430 122.820 -0.011 0.000 1.902 98 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 98 A C 2.462 180.039 177.584 -0.012 0.000 1.181 98 A CA 1.722 53.752 52.037 -0.013 0.000 0.623 98 A CB -1.166 17.834 19.000 -0.000 0.000 0.818 98 A HN 0.560 nan 8.150 nan 0.000 0.443 99 A N -0.311 122.516 122.820 0.011 0.000 1.865 99 A HA -0.087 4.232 4.320 -0.001 0.000 0.217 99 A C 2.155 179.733 177.584 -0.010 0.000 1.191 99 A CA 1.827 53.881 52.037 0.029 0.000 0.623 99 A CB -0.801 18.250 19.000 0.084 0.000 0.826 99 A HN 0.759 nan 8.150 nan 0.000 0.444 100 L N -0.181 121.002 121.223 -0.068 0.000 2.043 100 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 100 L C 2.262 179.015 176.870 -0.195 0.000 1.075 100 L CA 1.901 56.586 54.840 -0.259 0.000 0.752 100 L CB -0.414 41.352 42.059 -0.488 0.000 0.891 100 L HN 0.447 nan 8.230 nan 0.000 0.432 101 I N -0.735 119.757 120.570 -0.129 0.000 2.226 101 I HA -0.236 3.934 4.170 -0.001 0.000 0.245 101 I C 2.412 178.484 176.117 -0.074 0.000 1.100 101 I CA 1.015 62.255 61.300 -0.100 0.000 1.374 101 I CB -0.295 37.662 38.000 -0.072 0.000 1.057 101 I HN 0.307 nan 8.210 nan 0.000 0.413 102 E N 0.589 120.756 120.200 -0.054 0.000 2.072 102 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 102 E C 2.263 178.839 176.600 -0.040 0.000 0.985 102 E CA 1.227 57.605 56.400 -0.037 0.000 0.801 102 E CB -0.204 29.484 29.700 -0.020 0.000 0.750 102 E HN 0.510 nan 8.360 nan 0.000 0.452 103 I N 0.821 121.363 120.570 -0.046 0.000 2.127 103 I HA -0.286 3.883 4.170 -0.001 0.000 0.241 103 I C 2.440 178.522 176.117 -0.059 0.000 1.075 103 I CA 0.961 62.235 61.300 -0.043 0.000 1.334 103 I CB -0.301 37.679 38.000 -0.033 0.000 1.040 103 I HN 0.037 nan 8.210 nan 0.000 0.405 104 I N 0.358 120.872 120.570 -0.092 0.000 2.194 104 I HA -0.343 3.826 4.170 -0.001 0.000 0.246 104 I C 2.505 178.586 176.117 -0.061 0.000 1.093 104 I CA 1.808 63.053 61.300 -0.091 0.000 1.355 104 I CB -0.602 37.325 38.000 -0.122 0.000 1.046 104 I HN 0.289 nan 8.210 nan 0.000 0.413 105 T N -0.184 114.337 114.554 -0.055 0.000 2.777 105 T HA -0.158 4.191 4.350 -0.001 0.000 0.266 105 T C 1.493 176.172 174.700 -0.036 0.000 1.040 105 T CA 1.433 63.507 62.100 -0.042 0.000 1.141 105 T CB -0.304 68.541 68.868 -0.038 0.000 0.868 105 T HN 0.321 nan 8.240 nan 0.000 0.444 106 D N 0.997 121.377 120.400 -0.034 0.000 2.097 106 D HA -0.067 4.572 4.640 -0.001 0.000 0.195 106 D C 2.334 178.616 176.300 -0.030 0.000 0.989 106 D CA 0.685 54.667 54.000 -0.031 0.000 0.827 106 D CB -0.726 40.058 40.800 -0.027 0.000 0.966 106 D HN 0.168 nan 8.370 nan 0.000 0.456 107 V N 0.932 120.830 119.914 -0.027 0.000 2.252 107 V HA -0.247 3.872 4.120 -0.001 0.000 0.249 107 V C 2.698 178.788 176.094 -0.006 0.000 1.056 107 V CA 1.319 63.610 62.300 -0.015 0.000 1.022 107 V CB -0.524 31.290 31.823 -0.015 0.000 0.641 107 V HN 0.064 nan 8.190 nan 0.000 0.445 108 V N -0.464 119.441 119.914 -0.015 0.000 2.407 108 V HA -0.251 3.869 4.120 -0.001 0.000 0.248 108 V C 2.332 178.415 176.094 -0.017 0.000 1.055 108 V CA 2.016 64.311 62.300 -0.009 0.000 1.049 108 V CB -0.643 31.169 31.823 -0.020 0.000 0.662 108 V HN 0.630 nan 8.190 nan 0.000 0.455 109 E N -0.479 119.703 120.200 -0.031 0.000 2.274 109 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 109 E C 2.199 178.761 176.600 -0.063 0.000 0.996 109 E CA 0.946 57.320 56.400 -0.044 0.000 0.840 109 E CB 0.044 29.718 29.700 -0.043 0.000 0.772 109 E HN 0.694 nan 8.360 nan 0.000 0.491 110 E N 0.892 121.057 120.200 -0.058 0.000 2.076 110 E HA -0.126 4.224 4.350 -0.001 0.000 0.190 110 E C 2.031 178.562 176.600 -0.115 0.000 0.979 110 E CA 0.456 56.803 56.400 -0.088 0.000 0.807 110 E CB 0.076 29.738 29.700 -0.064 0.000 0.761 110 E HN 0.185 nan 8.360 nan 0.000 0.454 111 I N 0.777 121.336 120.570 -0.018 0.000 2.248 111 I HA -0.336 3.833 4.170 -0.001 0.000 0.248 111 I C 2.174 178.286 176.117 -0.008 0.000 1.107 111 I CA 0.813 62.166 61.300 0.088 0.000 1.373 111 I CB -0.232 37.887 38.000 0.198 0.000 1.055 111 I HN 0.319 nan 8.210 nan 0.000 0.418 112 C N 1.008 120.280 119.300 -0.048 0.000 2.618 112 C HA 0.387 4.846 4.460 -0.001 0.000 0.264 112 C C 1.615 176.515 174.990 -0.151 0.000 1.334 112 C CA -0.906 58.069 59.018 -0.071 0.000 1.731 112 C CB -1.507 26.206 27.740 -0.044 0.000 1.852 112 C HN 0.443 nan 8.230 nan 0.000 0.566 113 A N 2.424 125.125 122.820 -0.198 0.000 2.580 113 A HA 0.131 4.451 4.320 -0.001 0.000 0.244 113 A C -0.833 176.562 177.584 -0.316 0.000 1.045 113 A CA -0.129 51.768 52.037 -0.233 0.000 0.761 113 A CB -0.099 18.752 19.000 -0.247 0.000 0.962 113 A HN 0.363 nan 8.150 nan 0.000 0.512 114 P HA -0.148 nan 4.420 nan 0.000 0.221 114 P C 1.435 178.332 177.300 -0.671 0.000 1.145 114 P CA 1.786 64.631 63.100 -0.424 0.000 0.795 114 P CB 0.187 31.727 31.700 -0.266 0.000 0.775 115 A N -0.600 121.955 122.820 -0.441 0.000 2.066 115 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 115 A C 2.074 179.425 177.584 -0.388 0.000 1.157 115 A CA 1.322 53.146 52.037 -0.354 0.000 0.670 115 A CB -1.025 17.841 19.000 -0.223 0.000 0.804 115 A HN 0.121 nan 8.150 nan 0.000 0.453 116 N N -0.454 117.907 118.700 -0.565 0.000 2.270 116 N HA -0.087 4.652 4.740 -0.001 0.000 0.181 116 N C -0.228 174.990 175.510 -0.488 0.000 1.016 116 N CA 0.783 53.341 53.050 -0.821 0.000 0.870 116 N CB -0.378 37.181 38.487 -1.546 0.000 0.979 116 N HN 0.548 nan 8.380 nan 0.000 0.431 117 H N -1.006 117.903 119.070 -0.267 0.000 2.506 117 H HA -0.185 4.370 4.556 -0.001 0.000 0.323 117 H C -0.672 174.708 175.328 0.086 0.000 1.076 117 H CA 0.640 56.642 56.048 -0.076 0.000 1.108 117 H CB -1.628 28.122 29.762 -0.020 0.000 1.569 117 H HN 0.272 nan 8.280 nan 0.000 0.399 118 W N 0.285 121.562 121.300 -0.038 0.000 2.512 118 W HA 0.416 5.076 4.660 -0.001 0.000 0.335 118 W C 0.715 177.145 176.519 -0.148 0.000 1.088 118 W CA -0.977 56.316 57.345 -0.086 0.000 1.236 118 W CB 1.232 30.662 29.460 -0.051 0.000 1.307 118 W HN 0.097 nan 8.180 nan 0.000 0.567 119 S N 1.948 117.607 115.700 -0.070 0.000 2.452 119 S HA 0.599 5.069 4.470 -0.001 0.000 0.284 119 S C -0.839 173.696 174.600 -0.108 0.000 1.171 119 S CA -0.350 57.748 58.200 -0.170 0.000 1.064 119 S CB 0.078 62.996 63.200 -0.470 0.000 0.967 119 S HN 0.201 nan 8.310 nan 0.000 0.484 120 V N 6.276 126.171 119.914 -0.032 0.000 2.604 120 V HA 0.646 4.766 4.120 -0.001 0.000 0.305 120 V C 0.050 176.135 176.094 -0.015 0.000 1.043 120 V CA -0.944 61.345 62.300 -0.019 0.000 0.888 120 V CB 1.793 33.627 31.823 0.019 0.000 0.995 120 V HN 0.864 nan 8.190 nan 0.000 0.429 121 R N 1.967 122.453 120.500 -0.023 0.000 2.628 121 R HA 0.609 4.948 4.340 -0.001 0.000 0.288 121 R C -0.443 175.839 176.300 -0.030 0.000 0.980 121 R CA -0.375 55.716 56.100 -0.015 0.000 0.891 121 R CB 2.102 32.397 30.300 -0.007 0.000 1.188 121 R HN 0.901 nan 8.270 nan 0.000 0.450 122 T N 0.259 114.793 114.554 -0.033 0.000 2.817 122 T HA 0.338 4.687 4.350 -0.001 0.000 0.293 122 T C -0.054 174.572 174.700 -0.124 0.000 0.964 122 T CA -0.618 61.443 62.100 -0.065 0.000 1.085 122 T CB 1.355 70.185 68.868 -0.064 0.000 0.921 122 T HN 0.178 nan 8.240 nan 0.000 0.502 123 V N 3.905 123.719 119.914 -0.166 0.000 2.313 123 V HA 0.777 4.897 4.120 -0.001 0.000 0.278 123 V C 0.812 176.661 176.094 -0.407 0.000 1.017 123 V CA 0.473 62.587 62.300 -0.310 0.000 0.823 123 V CB 0.202 31.938 31.823 -0.146 0.000 1.010 123 V HN 1.509 nan 8.190 nan 0.000 0.443 124 G N 4.011 112.178 108.800 -1.056 0.000 2.361 124 G HA2 0.038 3.997 3.960 -0.001 0.000 0.331 124 G HA3 0.038 3.997 3.960 -0.001 0.000 0.331 124 G C -1.612 173.077 174.900 -0.352 0.000 1.324 124 G CA -0.837 43.917 45.100 -0.577 0.000 0.984 124 G HN 0.498 nan 8.290 nan 0.000 0.586 125 D N 0.196 120.563 120.400 -0.054 0.000 2.277 125 D HA 0.420 5.060 4.640 -0.001 0.000 0.249 125 D C 1.510 177.808 176.300 -0.003 0.000 1.134 125 D CA -0.391 53.625 54.000 0.027 0.000 0.863 125 D CB 1.323 42.164 40.800 0.068 0.000 1.143 125 D HN 0.308 nan 8.370 nan 0.000 0.458 126 L N 2.722 123.943 121.223 -0.004 0.000 2.591 126 L HA 0.175 4.514 4.340 -0.001 0.000 0.228 126 L C 2.097 178.966 176.870 -0.001 0.000 1.133 126 L CA 0.002 54.836 54.840 -0.009 0.000 0.880 126 L CB 0.277 42.328 42.059 -0.013 0.000 1.033 126 L HN 0.430 nan 8.230 nan 0.000 0.450 127 G N -0.107 108.699 108.800 0.009 0.000 2.848 127 G HA2 0.040 3.999 3.960 -0.001 0.000 0.208 127 G HA3 0.040 3.999 3.960 -0.001 0.000 0.208 127 G C 1.268 176.170 174.900 0.004 0.000 1.152 127 G CA 0.083 45.188 45.100 0.009 0.000 0.789 127 G HN 0.339 nan 8.290 nan 0.000 0.531 128 L N -0.079 121.145 121.223 0.001 0.000 2.701 128 L HA 0.352 4.692 4.340 -0.001 0.000 0.238 128 L C 2.157 179.020 176.870 -0.012 0.000 1.106 128 L CA 0.080 54.918 54.840 -0.003 0.000 0.898 128 L CB 0.127 42.187 42.059 0.001 0.000 1.188 128 L HN 0.318 nan 8.230 nan 0.000 0.508 129 I N -1.930 118.630 120.570 -0.016 0.000 3.783 129 I HA 0.528 4.698 4.170 -0.001 0.000 0.310 129 I C 0.799 176.902 176.117 -0.023 0.000 1.274 129 I CA 0.240 61.524 61.300 -0.026 0.000 1.294 129 I CB 0.312 38.291 38.000 -0.035 0.000 1.051 129 I HN 0.094 nan 8.210 nan 0.000 0.435 130 G N 1.702 110.493 108.800 -0.016 0.000 2.617 130 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.686 130 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.686 130 G C -0.150 174.743 174.900 -0.012 0.000 1.214 130 G CA 0.018 45.110 45.100 -0.013 0.000 0.796 130 G HN 0.280 nan 8.290 nan 0.000 0.654 131 E N 0.067 120.261 120.200 -0.010 0.000 2.017 131 E HA -0.075 4.274 4.350 -0.001 0.000 0.193 131 E C 2.366 178.960 176.600 -0.010 0.000 0.997 131 E CA 2.204 58.599 56.400 -0.008 0.000 0.804 131 E CB -0.007 29.689 29.700 -0.006 0.000 0.757 131 E HN 0.534 nan 8.360 nan 0.000 0.448 132 E N -0.290 119.903 120.200 -0.011 0.000 2.106 132 E HA -0.091 4.259 4.350 -0.001 0.000 0.192 132 E C -0.548 176.042 176.600 -0.015 0.000 0.984 132 E CA 1.297 57.690 56.400 -0.012 0.000 0.806 132 E CB -1.523 28.170 29.700 -0.011 0.000 0.750 132 E HN 0.397 nan 8.360 nan 0.000 0.458 133 P HA -0.031 nan 4.420 nan 0.000 0.216 133 P C 1.362 178.648 177.300 -0.023 0.000 1.153 133 P CA 1.773 64.859 63.100 -0.023 0.000 0.844 133 P CB -0.082 31.601 31.700 -0.028 0.000 0.787 134 A N 0.159 122.967 122.820 -0.020 0.000 1.908 134 A HA -0.242 4.077 4.320 -0.001 0.000 0.218 134 A C 2.435 180.009 177.584 -0.015 0.000 1.181 134 A CA 1.794 53.820 52.037 -0.018 0.000 0.627 134 A CB -1.286 17.706 19.000 -0.013 0.000 0.818 134 A HN 0.008 nan 8.150 nan 0.000 0.445 135 R N -0.589 119.903 120.500 -0.013 0.000 2.094 135 R HA -0.173 4.167 4.340 -0.001 0.000 0.239 135 R C 2.461 178.752 176.300 -0.015 0.000 1.137 135 R CA 1.947 58.040 56.100 -0.012 0.000 0.943 135 R CB -0.265 30.028 30.300 -0.011 0.000 0.850 135 R HN 0.528 nan 8.270 nan 0.000 0.433 136 R N 0.013 120.502 120.500 -0.017 0.000 2.096 136 R HA -0.090 4.250 4.340 -0.001 0.000 0.235 136 R C 2.388 178.675 176.300 -0.022 0.000 1.127 136 R CA 1.449 57.537 56.100 -0.020 0.000 0.968 136 R CB -0.245 30.042 30.300 -0.022 0.000 0.861 136 R HN 0.294 nan 8.270 nan 0.000 0.440 137 L N -0.197 121.013 121.223 -0.023 0.000 2.027 137 L HA -0.144 4.195 4.340 -0.001 0.000 0.206 137 L C 2.770 179.628 176.870 -0.020 0.000 1.074 137 L CA 1.238 56.064 54.840 -0.024 0.000 0.745 137 L CB -0.429 41.614 42.059 -0.027 0.000 0.898 137 L HN 0.205 nan 8.230 nan 0.000 0.433 138 R N 0.291 120.781 120.500 -0.017 0.000 2.081 138 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 138 R C 2.246 178.539 176.300 -0.012 0.000 1.131 138 R CA 1.478 57.571 56.100 -0.012 0.000 0.960 138 R CB -0.463 29.832 30.300 -0.008 0.000 0.856 138 R HN 0.383 nan 8.270 nan 0.000 0.436 139 G N 0.066 108.858 108.800 -0.014 0.000 2.440 139 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.218 139 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.218 139 G C 1.490 176.378 174.900 -0.019 0.000 1.154 139 G CA 0.934 46.025 45.100 -0.015 0.000 0.767 139 G HN 0.496 nan 8.290 nan 0.000 0.552 140 A N -0.040 122.767 122.820 -0.022 0.000 1.873 140 A HA 0.102 4.422 4.320 -0.001 0.000 0.215 140 A C 2.606 180.176 177.584 -0.023 0.000 1.186 140 A CA 1.863 53.884 52.037 -0.027 0.000 0.616 140 A CB -0.678 18.304 19.000 -0.030 0.000 0.823 140 A HN 0.267 nan 8.150 nan 0.000 0.442 141 V N 0.174 120.078 119.914 -0.017 0.000 2.427 141 V HA -0.215 3.904 4.120 -0.001 0.000 0.248 141 V C 2.258 178.347 176.094 -0.009 0.000 1.051 141 V CA 2.095 64.388 62.300 -0.012 0.000 1.048 141 V CB -0.790 31.026 31.823 -0.011 0.000 0.666 141 V HN 0.623 nan 8.190 nan 0.000 0.456 142 E N 0.530 120.725 120.200 -0.008 0.000 2.338 142 E HA -0.131 4.219 4.350 -0.001 0.000 0.197 142 E C 2.158 178.755 176.600 -0.005 0.000 1.007 142 E CA 1.210 57.608 56.400 -0.004 0.000 0.849 142 E CB -0.096 29.602 29.700 -0.003 0.000 0.774 142 E HN 0.754 nan 8.360 nan 0.000 0.506 143 S N 0.170 115.863 115.700 -0.012 0.000 2.562 143 S HA -0.052 4.418 4.470 -0.001 0.000 0.221 143 S C 1.164 175.756 174.600 -0.013 0.000 0.975 143 S CA 0.208 58.399 58.200 -0.015 0.000 0.918 143 S CB -0.382 62.802 63.200 -0.027 0.000 0.772 143 S HN 0.181 nan 8.310 nan 0.000 0.531 144 T N 1.460 116.008 114.554 -0.010 0.000 2.904 144 T HA 0.534 4.884 4.350 -0.001 0.000 0.290 144 T C -2.430 172.276 174.700 0.011 0.000 1.018 144 T CA -1.761 60.337 62.100 -0.003 0.000 1.075 144 T CB 0.571 69.438 68.868 -0.002 0.000 0.986 144 T HN 0.098 nan 8.240 nan 0.000 0.523 145 P HA 0.225 nan 4.420 nan 0.000 0.273 145 P C 0.430 177.732 177.300 0.003 0.000 1.250 145 P CA -0.371 62.744 63.100 0.025 0.000 0.793 145 P CB 1.006 32.734 31.700 0.046 0.000 1.011 146 E N -0.160 120.049 120.200 0.015 0.000 2.127 146 E HA 0.050 4.399 4.350 -0.001 0.000 0.191 146 E C -0.024 176.607 176.600 0.051 0.000 0.964 146 E CA 0.247 56.666 56.400 0.031 0.000 0.832 146 E CB 0.316 30.039 29.700 0.038 0.000 0.790 146 E HN 0.109 nan 8.360 nan 0.000 0.465 147 V N 1.692 121.631 119.914 0.042 0.000 2.432 147 V HA 0.511 4.631 4.120 -0.001 0.000 0.271 147 V C 0.019 176.121 176.094 0.014 0.000 1.046 147 V CA 0.264 62.599 62.300 0.059 0.000 0.945 147 V CB 0.718 32.571 31.823 0.050 0.000 0.992 147 V HN 0.366 nan 8.190 nan 0.000 0.471 148 A N 3.805 126.625 122.820 0.001 0.000 2.581 148 A HA 0.680 4.999 4.320 -0.001 0.000 0.290 148 A C 0.492 178.130 177.584 0.090 0.000 1.119 148 A CA 0.195 52.218 52.037 -0.025 0.000 0.670 148 A CB 1.299 20.201 19.000 -0.163 0.000 1.280 148 A HN 0.866 nan 8.150 nan 0.000 0.425 149 S N -0.878 114.912 115.700 0.150 0.000 2.503 149 S HA 0.347 4.816 4.470 -0.001 0.000 0.215 149 S C -0.002 174.809 174.600 0.351 0.000 1.003 149 S CA 0.422 58.767 58.200 0.242 0.000 0.910 149 S CB -0.088 63.245 63.200 0.221 0.000 0.790 149 S HN 1.066 nan 8.310 nan 0.000 0.514 150 F N 3.165 123.152 119.950 0.061 0.000 2.493 150 F HA 0.512 5.038 4.527 -0.001 0.000 0.329 150 F C -0.405 175.263 175.800 -0.220 0.000 1.126 150 F CA -1.411 56.548 58.000 -0.068 0.000 0.937 150 F CB 1.275 40.071 39.000 -0.340 0.000 1.146 150 F HN 0.105 nan 8.300 nan 0.000 0.442 151 H N 5.003 123.618 119.070 -0.759 0.000 2.469 151 H HA 0.661 5.216 4.556 -0.001 0.000 0.342 151 H C -1.115 173.618 175.328 -0.991 0.000 1.115 151 H CA -0.980 54.682 56.048 -0.643 0.000 1.204 151 H CB 2.362 31.899 29.762 -0.375 0.000 1.492 151 H HN 0.338 nan 8.280 nan 0.000 0.499 152 V N 3.392 122.991 119.914 -0.524 0.000 2.588 152 V HA 0.139 4.258 4.120 -0.001 0.000 0.304 152 V C -0.207 175.774 176.094 -0.190 0.000 1.042 152 V CA -1.017 61.042 62.300 -0.403 0.000 0.877 152 V CB 1.797 33.463 31.823 -0.262 0.000 0.996 152 V HN 0.708 nan 8.190 nan 0.000 0.425 153 N N 2.748 121.356 118.700 -0.154 0.000 2.419 153 N HA 0.482 5.222 4.740 -0.001 0.000 0.277 153 N C -0.504 174.982 175.510 -0.040 0.000 1.006 153 N CA -0.310 52.688 53.050 -0.086 0.000 0.923 153 N CB 2.056 40.492 38.487 -0.087 0.000 1.140 153 N HN 0.606 nan 8.380 nan 0.000 0.488 154 V N -0.202 119.694 119.914 -0.030 0.000 2.333 154 V HA 0.714 4.833 4.120 -0.001 0.000 0.274 154 V C 0.462 176.556 176.094 0.000 0.000 1.028 154 V CA -1.351 60.944 62.300 -0.010 0.000 0.851 154 V CB 0.635 32.449 31.823 -0.016 0.000 1.000 154 V HN 0.623 nan 8.190 nan 0.000 0.456 155 A N 5.305 128.164 122.820 0.065 0.000 2.437 155 A HA 0.678 4.997 4.320 -0.001 0.000 0.303 155 A C -0.149 177.507 177.584 0.120 0.000 1.324 155 A CA -0.248 51.870 52.037 0.135 0.000 0.983 155 A CB -0.086 19.136 19.000 0.371 0.000 1.142 155 A HN 1.122 nan 8.150 nan 0.000 0.541 156 V N 1.935 121.885 119.914 0.059 0.000 2.531 156 V HA 0.674 4.793 4.120 -0.001 0.000 0.301 156 V C 0.979 177.098 176.094 0.041 0.000 1.034 156 V CA 0.323 62.632 62.300 0.015 0.000 0.865 156 V CB 1.312 33.114 31.823 -0.035 0.000 0.995 156 V HN 1.745 nan 8.190 nan 0.000 0.424 157 G N 3.609 112.439 108.800 0.050 0.000 2.246 157 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.273 157 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.273 157 G C -0.480 174.495 174.900 0.125 0.000 1.055 157 G CA 0.577 45.710 45.100 0.056 0.000 0.851 157 G HN 1.061 nan 8.290 nan 0.000 0.500 158 Y N 0.487 120.858 120.300 0.118 0.000 2.341 158 Y HA 0.587 5.136 4.550 -0.001 0.000 0.337 158 Y C 0.494 176.537 175.900 0.238 0.000 1.014 158 Y CA -0.222 57.994 58.100 0.194 0.000 1.111 158 Y CB 1.727 40.359 38.460 0.288 0.000 1.194 158 Y HN 0.434 nan 8.280 nan 0.000 0.462 159 G N 2.651 111.107 108.800 -0.574 0.000 2.617 159 G HA2 0.426 4.385 3.960 -0.001 0.000 0.306 159 G HA3 0.426 4.385 3.960 -0.001 0.000 0.306 159 G C 0.372 174.837 174.900 -0.725 0.000 1.360 159 G CA -0.379 44.475 45.100 -0.409 0.000 0.983 159 G HN 0.974 nan 8.290 nan 0.000 0.496 160 G N 0.944 109.556 108.800 -0.312 0.000 2.402 160 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.216 160 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.216 160 G C 1.645 176.517 174.900 -0.046 0.000 1.162 160 G CA 0.454 45.504 45.100 -0.084 0.000 0.777 160 G HN 0.592 nan 8.290 nan 0.000 0.539 161 R N -0.351 120.130 120.500 -0.032 0.000 2.092 161 R HA 0.046 4.386 4.340 -0.001 0.000 0.231 161 R C 2.616 178.884 176.300 -0.053 0.000 1.119 161 R CA 1.108 57.201 56.100 -0.013 0.000 0.970 161 R CB -0.202 30.100 30.300 0.004 0.000 0.864 161 R HN 0.186 nan 8.270 nan 0.000 0.440 162 R N 1.387 121.834 120.500 -0.088 0.000 2.092 162 R HA -0.138 4.202 4.340 -0.001 0.000 0.231 162 R C 1.978 178.201 176.300 -0.128 0.000 1.119 162 R CA 1.621 57.665 56.100 -0.094 0.000 0.970 162 R CB -0.186 30.067 30.300 -0.079 0.000 0.864 162 R HN 0.264 nan 8.270 nan 0.000 0.440 163 E N 0.105 120.208 120.200 -0.162 0.000 2.049 163 E HA -0.246 4.104 4.350 -0.001 0.000 0.198 163 E C 1.828 178.302 176.600 -0.210 0.000 1.007 163 E CA 1.977 58.268 56.400 -0.180 0.000 0.809 163 E CB -0.188 29.499 29.700 -0.023 0.000 0.749 163 E HN 0.426 nan 8.360 nan 0.000 0.450 164 I N 0.371 120.854 120.570 -0.145 0.000 2.163 164 I HA -0.290 3.880 4.170 -0.001 0.000 0.243 164 I C 2.470 178.477 176.117 -0.183 0.000 1.085 164 I CA 0.867 62.057 61.300 -0.184 0.000 1.347 164 I CB -0.224 37.740 38.000 -0.059 0.000 1.044 164 I HN 0.084 nan 8.210 nan 0.000 0.408 165 V N 0.780 120.619 119.914 -0.125 0.000 2.332 165 V HA -0.308 3.812 4.120 -0.001 0.000 0.248 165 V C 2.008 178.024 176.094 -0.131 0.000 1.055 165 V CA 2.064 64.299 62.300 -0.107 0.000 1.038 165 V CB -0.665 31.115 31.823 -0.071 0.000 0.651 165 V HN 0.432 nan 8.190 nan 0.000 0.450 166 D N 0.236 120.540 120.400 -0.161 0.000 2.178 166 D HA -0.067 4.572 4.640 -0.001 0.000 0.202 166 D C 2.200 178.374 176.300 -0.210 0.000 0.974 166 D CA 1.437 55.330 54.000 -0.178 0.000 0.841 166 D CB -0.195 40.476 40.800 -0.216 0.000 0.953 166 D HN 0.462 nan 8.370 nan 0.000 0.478 167 A N 0.702 123.366 122.820 -0.259 0.000 1.969 167 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 167 A C 2.483 179.936 177.584 -0.218 0.000 1.169 167 A CA 0.892 52.767 52.037 -0.270 0.000 0.635 167 A CB -0.514 18.273 19.000 -0.356 0.000 0.810 167 A HN 0.137 nan 8.150 nan 0.000 0.445 168 V N -0.200 119.597 119.914 -0.195 0.000 2.379 168 V HA -0.201 3.918 4.120 -0.001 0.000 0.245 168 V C 2.600 178.629 176.094 -0.108 0.000 1.044 168 V CA 2.062 64.274 62.300 -0.147 0.000 1.036 168 V CB -0.721 31.028 31.823 -0.123 0.000 0.664 168 V HN 0.530 nan 8.190 nan 0.000 0.453 169 R N 0.216 120.654 120.500 -0.103 0.000 2.090 169 R HA -0.004 4.335 4.340 -0.001 0.000 0.228 169 R C 2.458 178.711 176.300 -0.078 0.000 1.110 169 R CA 1.254 57.307 56.100 -0.079 0.000 0.973 169 R CB -0.575 29.682 30.300 -0.072 0.000 0.869 169 R HN 0.505 nan 8.270 nan 0.000 0.440 170 A N 1.751 124.513 122.820 -0.098 0.000 1.865 170 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 170 A C 2.157 179.693 177.584 -0.080 0.000 1.191 170 A CA 1.251 53.234 52.037 -0.091 0.000 0.623 170 A CB -0.750 18.181 19.000 -0.116 0.000 0.826 170 A HN 0.319 nan 8.150 nan 0.000 0.444 171 L N -0.624 120.543 121.223 -0.094 0.000 2.013 171 L HA -0.189 4.150 4.340 -0.001 0.000 0.212 171 L C 2.352 179.187 176.870 -0.058 0.000 1.073 171 L CA 1.694 56.486 54.840 -0.080 0.000 0.753 171 L CB -0.218 41.783 42.059 -0.096 0.000 0.890 171 L HN 0.449 nan 8.230 nan 0.000 0.432 172 L N -1.300 119.889 121.223 -0.057 0.000 2.395 172 L HA -0.095 4.244 4.340 -0.001 0.000 0.218 172 L C 2.390 179.238 176.870 -0.036 0.000 1.130 172 L CA 0.466 55.281 54.840 -0.043 0.000 0.826 172 L CB -0.205 41.829 42.059 -0.042 0.000 0.941 172 L HN 0.197 nan 8.230 nan 0.000 0.451 173 S N -0.306 115.370 115.700 -0.039 0.000 2.406 173 S HA -0.072 4.397 4.470 -0.001 0.000 0.224 173 S C 1.892 176.475 174.600 -0.029 0.000 1.030 173 S CA 0.720 58.901 58.200 -0.032 0.000 0.958 173 S CB 0.051 63.230 63.200 -0.034 0.000 0.811 173 S HN 0.340 nan 8.310 nan 0.000 0.489 174 K N 1.231 121.611 120.400 -0.033 0.000 2.057 174 K HA -0.038 4.281 4.320 -0.001 0.000 0.207 174 K C 2.110 178.696 176.600 -0.023 0.000 1.049 174 K CA 1.031 57.301 56.287 -0.028 0.000 0.931 174 K CB -0.057 32.424 32.500 -0.032 0.000 0.714 174 K HN 0.203 nan 8.250 nan 0.000 0.440 175 E N 0.881 121.066 120.200 -0.025 0.000 2.072 175 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 175 E C 2.073 178.663 176.600 -0.017 0.000 0.985 175 E CA 0.815 57.203 56.400 -0.020 0.000 0.801 175 E CB -0.207 29.481 29.700 -0.021 0.000 0.750 175 E HN 0.133 nan 8.360 nan 0.000 0.452 176 L N 1.002 122.214 121.223 -0.018 0.000 2.046 176 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 176 L C 2.235 179.096 176.870 -0.014 0.000 1.077 176 L CA 1.933 56.764 54.840 -0.015 0.000 0.747 176 L CB -0.688 41.362 42.059 -0.016 0.000 0.896 176 L HN 0.038 nan 8.230 nan 0.000 0.432 177 A N -0.649 122.162 122.820 -0.015 0.000 1.902 177 A HA -0.224 4.095 4.320 -0.001 0.000 0.217 177 A C 2.048 179.625 177.584 -0.011 0.000 1.181 177 A CA 1.904 53.933 52.037 -0.013 0.000 0.623 177 A CB -0.793 18.199 19.000 -0.014 0.000 0.818 177 A HN 0.635 nan 8.150 nan 0.000 0.443 178 N N -0.780 117.913 118.700 -0.012 0.000 2.550 178 N HA 0.020 4.760 4.740 -0.001 0.000 0.186 178 N C 1.008 176.513 175.510 -0.008 0.000 1.110 178 N CA 1.083 54.128 53.050 -0.010 0.000 0.912 178 N CB 0.156 38.637 38.487 -0.010 0.000 0.968 178 N HN 0.706 nan 8.380 nan 0.000 0.448 179 G N -0.029 108.766 108.800 -0.009 0.000 2.143 179 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.175 179 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.175 179 G C 0.102 174.997 174.900 -0.007 0.000 1.004 179 G CA -0.037 45.059 45.100 -0.007 0.000 0.671 179 G HN 0.506 nan 8.290 nan 0.000 0.512 180 A N 0.908 123.723 122.820 -0.009 0.000 2.477 180 A HA 0.677 4.997 4.320 -0.001 0.000 0.246 180 A C 1.181 178.761 177.584 -0.008 0.000 1.078 180 A CA 1.113 53.145 52.037 -0.008 0.000 0.770 180 A CB 0.120 19.114 19.000 -0.010 0.000 1.011 180 A HN 1.732 nan 8.150 nan 0.000 0.494 181 T N -0.261 114.289 114.554 -0.007 0.000 2.754 181 T HA 0.470 4.820 4.350 -0.001 0.000 0.286 181 T C 1.393 176.089 174.700 -0.007 0.000 0.997 181 T CA -0.046 62.050 62.100 -0.006 0.000 0.982 181 T CB 0.943 69.809 68.868 -0.005 0.000 1.027 181 T HN 1.140 nan 8.240 nan 0.000 0.529 182 A N 0.214 123.030 122.820 -0.006 0.000 1.969 182 A HA -0.051 4.269 4.320 -0.001 0.000 0.218 182 A C 2.314 179.895 177.584 -0.006 0.000 1.169 182 A CA 0.988 53.022 52.037 -0.007 0.000 0.635 182 A CB -0.726 18.270 19.000 -0.006 0.000 0.810 182 A HN 0.894 nan 8.150 nan 0.000 0.445 183 E N 0.126 120.323 120.200 -0.004 0.000 2.106 183 E HA -0.175 4.174 4.350 -0.001 0.000 0.192 183 E C 1.699 178.297 176.600 -0.003 0.000 0.984 183 E CA 1.280 57.678 56.400 -0.003 0.000 0.806 183 E CB -0.283 29.415 29.700 -0.002 0.000 0.750 183 E HN 0.781 nan 8.360 nan 0.000 0.458 184 E N 0.599 120.797 120.200 -0.004 0.000 2.274 184 E HA -0.037 4.312 4.350 -0.001 0.000 0.194 184 E C 2.166 178.763 176.600 -0.006 0.000 0.996 184 E CA 0.183 56.581 56.400 -0.004 0.000 0.840 184 E CB 0.052 29.749 29.700 -0.005 0.000 0.772 184 E HN 0.167 nan 8.360 nan 0.000 0.491 185 L N 0.214 121.432 121.223 -0.008 0.000 2.072 185 L HA -0.135 4.205 4.340 -0.001 0.000 0.205 185 L C 2.272 179.137 176.870 -0.009 0.000 1.079 185 L CA 0.529 55.363 54.840 -0.010 0.000 0.752 185 L CB -0.269 41.782 42.059 -0.013 0.000 0.906 185 L HN 0.031 nan 8.230 nan 0.000 0.436 186 V N -0.374 119.536 119.914 -0.006 0.000 2.636 186 V HA -0.311 3.808 4.120 -0.001 0.000 0.258 186 V C 1.206 177.299 176.094 -0.001 0.000 1.092 186 V CA 1.752 64.050 62.300 -0.004 0.000 1.110 186 V CB -0.513 31.309 31.823 -0.002 0.000 0.685 186 V HN 0.460 nan 8.190 nan 0.000 0.481 187 D N -1.413 118.986 120.400 -0.001 0.000 2.469 187 D HA 0.331 4.970 4.640 -0.001 0.000 0.215 187 D C 1.784 178.085 176.300 0.001 0.000 1.154 187 D CA 0.772 54.773 54.000 0.002 0.000 0.832 187 D CB 0.853 41.655 40.800 0.003 0.000 1.008 187 D HN 0.397 nan 8.370 nan 0.000 0.506 188 A N 0.151 122.969 122.820 -0.004 0.000 2.067 188 A HA 0.045 4.365 4.320 -0.001 0.000 0.217 188 A C 1.158 178.737 177.584 -0.008 0.000 1.156 188 A CA 0.348 52.380 52.037 -0.007 0.000 0.683 188 A CB 0.047 19.039 19.000 -0.014 0.000 0.808 188 A HN 0.051 nan 8.150 nan 0.000 0.455 189 V N 2.061 121.971 119.914 -0.007 0.000 2.521 189 V HA 0.409 4.528 4.120 -0.001 0.000 0.286 189 V C 0.632 176.735 176.094 0.014 0.000 1.034 189 V CA 0.540 62.835 62.300 -0.009 0.000 1.045 189 V CB 0.114 31.932 31.823 -0.009 0.000 0.974 189 V HN 0.617 nan 8.190 nan 0.000 0.480 190 T N 0.813 115.378 114.554 0.018 0.000 2.812 190 T HA 0.499 4.849 4.350 -0.001 0.000 0.294 190 T C 0.618 175.378 174.700 0.101 0.000 1.159 190 T CA -0.483 61.651 62.100 0.057 0.000 1.008 190 T CB 1.608 70.504 68.868 0.046 0.000 1.289 190 T HN 0.016 nan 8.240 nan 0.000 0.514 191 V N 0.705 120.725 119.914 0.178 0.000 2.453 191 V HA -0.053 4.067 4.120 -0.001 0.000 0.247 191 V C 2.761 179.026 176.094 0.284 0.000 1.048 191 V CA 1.768 64.278 62.300 0.350 0.000 1.049 191 V CB -0.843 31.158 31.823 0.297 0.000 0.672 191 V HN 0.936 nan 8.190 nan 0.000 0.457 192 E N 0.328 120.618 120.200 0.150 0.000 2.072 192 E HA -0.132 4.217 4.350 -0.001 0.000 0.191 192 E C 2.332 178.949 176.600 0.029 0.000 0.985 192 E CA 1.140 57.598 56.400 0.096 0.000 0.801 192 E CB -0.363 29.375 29.700 0.064 0.000 0.750 192 E HN 0.634 nan 8.360 nan 0.000 0.452 193 G N 1.428 110.227 108.800 -0.001 0.000 2.440 193 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.218 193 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.218 193 G C 1.590 176.412 174.900 -0.129 0.000 1.154 193 G CA 0.739 45.807 45.100 -0.053 0.000 0.767 193 G HN 0.146 nan 8.290 nan 0.000 0.552 194 I N 0.942 121.387 120.570 -0.209 0.000 2.202 194 I HA -0.160 4.010 4.170 -0.001 0.000 0.242 194 I C 3.035 178.869 176.117 -0.472 0.000 1.091 194 I CA 1.113 62.135 61.300 -0.463 0.000 1.368 194 I CB -0.396 37.069 38.000 -0.892 0.000 1.058 194 I HN 0.078 nan 8.210 nan 0.000 0.410 195 S N 0.598 116.129 115.700 -0.281 0.000 2.359 195 S HA -0.256 4.213 4.470 -0.001 0.000 0.223 195 S C 1.861 176.403 174.600 -0.097 0.000 1.039 195 S CA 1.659 59.797 58.200 -0.104 0.000 1.042 195 S CB -0.452 62.832 63.200 0.140 0.000 0.915 195 S HN 0.481 nan 8.310 nan 0.000 0.439 196 E N 0.846 121.001 120.200 -0.074 0.000 2.267 196 E HA -0.067 4.282 4.350 -0.001 0.000 0.197 196 E C 0.946 177.493 176.600 -0.089 0.000 0.998 196 E CA 0.647 57.010 56.400 -0.060 0.000 0.830 196 E CB -0.080 29.592 29.700 -0.046 0.000 0.751 196 E HN 0.387 nan 8.360 nan 0.000 0.491 197 N N -0.058 118.554 118.700 -0.146 0.000 2.177 197 N HA 0.125 4.864 4.740 -0.001 0.000 0.218 197 N C -0.151 175.225 175.510 -0.223 0.000 1.182 197 N CA 0.011 52.962 53.050 -0.165 0.000 0.882 197 N CB 0.930 39.315 38.487 -0.170 0.000 1.052 197 N HN 0.054 nan 8.380 nan 0.000 0.519 198 L N 0.202 121.295 121.223 -0.217 0.000 2.466 198 L HA 0.141 4.480 4.340 -0.001 0.000 0.257 198 L C 1.458 178.253 176.870 -0.126 0.000 1.189 198 L CA -0.597 54.109 54.840 -0.222 0.000 0.813 198 L CB 0.300 42.261 42.059 -0.163 0.000 1.118 198 L HN 0.036 nan 8.230 nan 0.000 0.471 199 Y N -0.339 119.962 120.300 0.002 0.000 2.298 199 Y HA -0.219 4.330 4.550 -0.001 0.000 0.287 199 Y C 2.436 178.336 175.900 -0.002 0.000 1.164 199 Y CA 1.498 59.610 58.100 0.019 0.000 1.229 199 Y CB -0.785 37.720 38.460 0.075 0.000 0.977 199 Y HN 0.692 nan 8.280 nan 0.000 0.538 200 T N -4.009 110.626 114.554 0.135 0.000 3.206 200 T HA 0.146 4.495 4.350 -0.001 0.000 0.253 200 T C 0.600 175.317 174.700 0.029 0.000 1.042 200 T CA 0.042 62.181 62.100 0.066 0.000 0.931 200 T CB -0.361 68.544 68.868 0.062 0.000 1.029 200 T HN 0.094 nan 8.240 nan 0.000 0.564 201 S N 1.278 116.988 115.700 0.017 0.000 2.931 201 S HA 0.301 4.771 4.470 -0.001 0.000 0.342 201 S C 1.734 176.332 174.600 -0.005 0.000 1.220 201 S CA 1.131 59.329 58.200 -0.004 0.000 1.045 201 S CB -1.019 62.172 63.200 -0.015 0.000 0.758 201 S HN 1.422 nan 8.310 nan 0.000 0.508 202 G N 3.605 112.402 108.800 -0.005 0.000 2.159 202 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.256 202 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.256 202 G C -0.070 174.810 174.900 -0.034 0.000 0.977 202 G CA 0.501 45.592 45.100 -0.014 0.000 0.652 202 G HN 0.753 nan 8.290 nan 0.000 0.531 203 Q N 0.481 120.263 119.800 -0.030 0.000 2.248 203 Q HA 0.543 4.882 4.340 -0.001 0.000 0.263 203 Q C -2.170 173.828 176.000 -0.003 0.000 1.007 203 Q CA -1.882 53.884 55.803 -0.062 0.000 0.877 203 Q CB 1.734 30.414 28.738 -0.096 0.000 1.315 203 Q HN 0.253 nan 8.270 nan 0.000 0.454 204 P HA 0.047 nan 4.420 nan 0.000 0.271 204 P C -0.933 176.487 177.300 0.200 0.000 1.218 204 P CA -0.159 62.988 63.100 0.078 0.000 0.780 204 P CB 0.563 32.303 31.700 0.065 0.000 0.901 205 D N 2.540 123.022 120.400 0.136 0.000 2.399 205 D HA 0.143 4.782 4.640 -0.001 0.000 0.241 205 D C -2.089 174.191 176.300 -0.034 0.000 1.133 205 D CA -1.153 52.892 54.000 0.076 0.000 0.890 205 D CB -0.665 40.169 40.800 0.057 0.000 1.201 205 D HN 0.200 nan 8.370 nan 0.000 0.432 206 P HA 0.026 nan 4.420 nan 0.000 0.262 206 P C -0.293 176.884 177.300 -0.205 0.000 1.199 206 P CA 0.255 62.994 63.100 -0.602 0.000 0.763 206 P CB 0.519 31.872 31.700 -0.578 0.000 0.790 207 D N 1.995 122.323 120.400 -0.120 0.000 2.183 207 D HA 0.045 4.685 4.640 -0.001 0.000 0.205 207 D C 0.164 176.496 176.300 0.055 0.000 0.962 207 D CA 1.002 55.015 54.000 0.021 0.000 0.849 207 D CB 0.064 40.881 40.800 0.029 0.000 0.978 207 D HN 0.163 nan 8.370 nan 0.000 0.488 208 L N 0.343 121.514 121.223 -0.088 0.000 2.408 208 L HA 0.473 4.813 4.340 -0.001 0.000 0.268 208 L C -1.557 175.277 176.870 -0.060 0.000 0.986 208 L CA -0.897 53.914 54.840 -0.048 0.000 0.820 208 L CB 2.277 44.217 42.059 -0.199 0.000 1.303 208 L HN -0.272 nan 8.230 nan 0.000 0.411 209 V N 6.612 126.514 119.914 -0.020 0.000 2.305 209 V HA 0.400 4.519 4.120 -0.001 0.000 0.275 209 V C 0.206 176.304 176.094 0.006 0.000 1.020 209 V CA -0.421 61.865 62.300 -0.022 0.000 0.811 209 V CB 1.035 32.836 31.823 -0.037 0.000 1.031 209 V HN 0.597 nan 8.190 nan 0.000 0.439 210 I N 4.925 125.533 120.570 0.062 0.000 2.436 210 I HA 0.344 4.513 4.170 -0.001 0.000 0.289 210 I C 0.466 176.637 176.117 0.090 0.000 1.083 210 I CA 0.201 61.601 61.300 0.166 0.000 1.372 210 I CB 0.517 38.621 38.000 0.174 0.000 1.408 210 I HN 0.527 nan 8.210 nan 0.000 0.516 211 R N 4.546 125.107 120.500 0.101 0.000 2.670 211 R HA 0.600 4.940 4.340 -0.001 0.000 0.289 211 R C -0.585 175.851 176.300 0.227 0.000 0.965 211 R CA -0.327 55.851 56.100 0.131 0.000 0.899 211 R CB 1.960 32.370 30.300 0.184 0.000 1.173 211 R HN 0.616 nan 8.270 nan 0.000 0.456 212 T N 0.380 115.064 114.554 0.216 0.000 2.773 212 T HA 0.335 4.684 4.350 -0.001 0.000 0.278 212 T C -0.353 174.491 174.700 0.239 0.000 1.011 212 T CA 0.350 62.606 62.100 0.261 0.000 1.014 212 T CB 1.263 70.329 68.868 0.330 0.000 1.293 212 T HN 0.643 nan 8.240 nan 0.000 0.554 213 S N -0.453 115.390 115.700 0.238 0.000 3.521 213 S HA -0.173 4.297 4.470 -0.001 0.000 0.328 213 S C 1.163 175.839 174.600 0.127 0.000 1.165 213 S CA 1.928 60.253 58.200 0.208 0.000 0.941 213 S CB -1.763 61.676 63.200 0.399 0.000 0.951 213 S HN 2.346 nan 8.310 nan 0.000 0.539 214 G N -0.257 108.595 108.800 0.086 0.000 2.175 214 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.265 214 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.265 214 G C -0.319 174.591 174.900 0.017 0.000 0.979 214 G CA 0.611 45.730 45.100 0.031 0.000 0.663 214 G HN 0.720 nan 8.290 nan 0.000 0.533 215 E N 0.345 120.597 120.200 0.088 0.000 2.351 215 E HA 0.206 4.556 4.350 -0.001 0.000 0.266 215 E C 0.885 177.499 176.600 0.024 0.000 1.031 215 E CA 0.313 56.758 56.400 0.075 0.000 0.911 215 E CB 0.588 30.368 29.700 0.133 0.000 0.986 215 E HN 0.644 nan 8.360 nan 0.000 0.446 216 Q N 2.615 122.344 119.800 -0.117 0.000 2.211 216 Q HA 0.199 4.538 4.340 -0.001 0.000 0.301 216 Q C 0.144 176.117 176.000 -0.045 0.000 0.884 216 Q CA -0.121 55.518 55.803 -0.273 0.000 1.115 216 Q CB 0.980 29.368 28.738 -0.582 0.000 1.217 216 Q HN 0.195 nan 8.270 nan 0.000 0.451 217 R N -0.128 120.407 120.500 0.058 0.000 2.856 217 R HA 0.466 4.805 4.340 -0.001 0.000 0.258 217 R C 0.510 176.883 176.300 0.123 0.000 1.066 217 R CA -0.293 55.852 56.100 0.075 0.000 1.045 217 R CB 0.985 31.324 30.300 0.064 0.000 1.178 217 R HN 0.193 nan 8.270 nan 0.000 0.499 218 L N -0.073 121.214 121.223 0.106 0.000 2.286 218 L HA 0.118 4.457 4.340 -0.001 0.000 0.203 218 L C 0.746 177.690 176.870 0.123 0.000 1.068 218 L CA 0.475 55.385 54.840 0.116 0.000 0.811 218 L CB 0.189 42.302 42.059 0.090 0.000 0.989 218 L HN 0.839 nan 8.230 nan 0.000 0.467 219 S N -0.765 115.007 115.700 0.121 0.000 2.769 219 S HA -0.221 4.248 4.470 -0.001 0.000 0.264 219 S C 1.222 175.920 174.600 0.164 0.000 1.288 219 S CA 0.717 59.005 58.200 0.147 0.000 1.378 219 S CB -1.774 61.520 63.200 0.157 0.000 1.702 219 S HN 0.776 nan 8.310 nan 0.000 0.656 220 G N 0.737 109.622 108.800 0.142 0.000 2.283 220 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.280 220 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.280 220 G C -0.137 174.910 174.900 0.246 0.000 1.029 220 G CA 0.507 45.698 45.100 0.151 0.000 0.840 220 G HN 0.951 nan 8.290 nan 0.000 0.505 221 F N 0.707 120.643 119.950 -0.023 0.000 2.456 221 F HA 0.492 5.018 4.527 -0.002 0.000 0.358 221 F C 1.466 177.201 175.800 -0.108 0.000 1.095 221 F CA -0.979 56.912 58.000 -0.182 0.000 1.216 221 F CB 0.230 38.926 39.000 -0.506 0.000 1.125 221 F HN 0.282 nan 8.300 nan 0.000 0.549 222 L N 7.315 128.168 121.223 -0.616 0.000 3.965 222 L HA -0.302 4.037 4.340 -0.001 0.000 0.476 222 L C 1.255 178.065 176.870 -0.101 0.000 1.201 222 L CA -0.052 54.537 54.840 -0.418 0.000 0.710 222 L CB -1.199 40.427 42.059 -0.722 0.000 1.509 222 L HN 0.736 nan 8.230 nan 0.000 0.815 223 L N 0.928 122.202 121.223 0.085 0.000 1.989 223 L HA -0.183 4.156 4.340 -0.001 0.000 0.211 223 L C 1.994 178.904 176.870 0.067 0.000 1.071 223 L CA 2.449 57.336 54.840 0.078 0.000 0.749 223 L CB -0.479 41.654 42.059 0.123 0.000 0.890 223 L HN 0.668 nan 8.230 nan 0.000 0.431 224 W N 0.232 121.496 121.300 -0.060 0.000 2.379 224 W HA -0.205 4.455 4.660 -0.000 0.000 0.307 224 W C 2.207 178.650 176.519 -0.125 0.000 1.200 224 W CA 1.685 58.978 57.345 -0.088 0.000 1.297 224 W CB -0.279 29.149 29.460 -0.053 0.000 1.140 224 W HN 0.317 nan 8.180 nan 0.000 0.507 225 Q N 0.453 120.361 119.800 0.179 0.000 2.167 225 Q HA -0.144 4.195 4.340 -0.001 0.000 0.202 225 Q C 2.244 178.183 176.000 -0.103 0.000 0.970 225 Q CA 2.258 58.103 55.803 0.069 0.000 0.855 225 Q CB -0.788 27.988 28.738 0.063 0.000 0.911 225 Q HN 0.221 nan 8.270 nan 0.000 0.438 226 S N -0.631 114.977 115.700 -0.153 0.000 2.634 226 S HA 0.341 4.810 4.470 -0.001 0.000 0.221 226 S C 1.734 176.201 174.600 -0.222 0.000 0.952 226 S CA 0.132 58.226 58.200 -0.176 0.000 0.930 226 S CB 0.110 63.203 63.200 -0.178 0.000 0.780 226 S HN 0.318 nan 8.310 nan 0.000 0.498 227 A N 0.788 123.372 122.820 -0.394 0.000 2.093 227 A HA -0.069 4.250 4.320 -0.001 0.000 0.222 227 A C 1.142 178.330 177.584 -0.660 0.000 1.162 227 A CA 1.356 52.996 52.037 -0.661 0.000 0.655 227 A CB -0.711 17.617 19.000 -1.120 0.000 0.805 227 A HN 0.772 nan 8.150 nan 0.000 0.461 228 Y N -1.021 119.228 120.300 -0.085 0.000 2.717 228 Y HA 0.283 4.832 4.550 -0.002 0.000 0.250 228 Y C 0.741 176.622 175.900 -0.033 0.000 1.149 228 Y CA -0.830 57.235 58.100 -0.058 0.000 1.211 228 Y CB -0.479 37.944 38.460 -0.062 0.000 1.289 228 Y HN 0.053 nan 8.280 nan 0.000 0.552 229 S N 1.216 116.947 115.700 0.051 0.000 2.579 229 S HA 0.095 4.565 4.470 -0.001 0.000 0.275 229 S C 0.229 174.865 174.600 0.060 0.000 1.345 229 S CA -0.669 57.554 58.200 0.038 0.000 1.031 229 S CB 0.802 63.980 63.200 -0.036 0.000 0.892 229 S HN 0.133 nan 8.310 nan 0.000 0.529 230 E N 1.416 121.674 120.200 0.096 0.000 2.259 230 E HA 0.171 4.521 4.350 -0.001 0.000 0.281 230 E C -0.523 176.110 176.600 0.054 0.000 1.037 230 E CA 0.034 56.496 56.400 0.103 0.000 0.854 230 E CB 0.698 30.512 29.700 0.189 0.000 1.051 230 E HN 0.474 nan 8.360 nan 0.000 0.409 231 M N 2.862 122.459 119.600 -0.006 0.000 2.211 231 M HA 0.220 4.699 4.480 -0.001 0.000 0.356 231 M C -0.823 175.328 176.300 -0.249 0.000 1.216 231 M CA -0.046 55.130 55.300 -0.207 0.000 1.134 231 M CB 0.716 33.162 32.600 -0.255 0.000 1.564 231 M HN 0.494 nan 8.290 nan 0.000 0.463 232 W N 5.187 126.139 121.300 -0.581 0.000 2.839 232 W HA 0.619 5.280 4.660 0.002 0.000 0.334 232 W C -2.196 173.992 176.519 -0.551 0.000 1.064 232 W CA -0.579 56.523 57.345 -0.405 0.000 1.236 232 W CB 1.116 30.512 29.460 -0.107 0.000 1.405 232 W HN 0.425 nan 8.180 nan 0.000 0.478 233 F N 3.844 123.433 119.950 -0.601 0.000 2.532 233 F HA 0.666 5.194 4.527 0.000 0.000 0.321 233 F C 0.421 175.665 175.800 -0.926 0.000 1.089 233 F CA -1.019 56.684 58.000 -0.496 0.000 0.926 233 F CB 2.271 41.113 39.000 -0.263 0.000 1.168 233 F HN 0.110 nan 8.300 nan 0.000 0.459 234 T N 0.318 114.708 114.554 -0.272 0.000 2.906 234 T HA 0.285 4.634 4.350 -0.001 0.000 0.295 234 T C 0.551 175.273 174.700 0.037 0.000 1.061 234 T CA -0.475 61.537 62.100 -0.146 0.000 1.000 234 T CB 1.488 70.446 68.868 0.151 0.000 1.103 234 T HN 0.619 nan 8.240 nan 0.000 0.486 235 E N 1.462 121.673 120.200 0.019 0.000 2.158 235 E HA 0.145 4.494 4.350 -0.001 0.000 0.191 235 E C 1.096 177.677 176.600 -0.033 0.000 0.982 235 E CA 0.363 56.760 56.400 -0.006 0.000 0.823 235 E CB -0.380 29.305 29.700 -0.025 0.000 0.766 235 E HN 0.763 nan 8.360 nan 0.000 0.468 236 A N 2.951 125.809 122.820 0.064 0.000 2.567 236 A HA -0.049 4.271 4.320 -0.001 0.000 0.240 236 A C 0.037 177.709 177.584 0.147 0.000 1.053 236 A CA 0.083 52.178 52.037 0.097 0.000 0.755 236 A CB -0.197 18.944 19.000 0.235 0.000 0.978 236 A HN 0.117 nan 8.150 nan 0.000 0.507 237 H N 1.638 120.891 119.070 0.304 0.000 2.690 237 H HA -0.039 4.517 4.556 -0.000 0.000 0.365 237 H C 1.167 176.652 175.328 0.262 0.000 1.142 237 H CA -0.130 56.105 56.048 0.311 0.000 1.417 237 H CB 0.433 30.433 29.762 0.396 0.000 1.446 237 H HN 0.983 nan 8.280 nan 0.000 0.599 238 W N 3.422 124.847 121.300 0.207 0.000 2.318 238 W HA -0.119 4.540 4.660 -0.002 0.000 0.313 238 W C -1.274 175.239 176.519 -0.009 0.000 1.221 238 W CA 1.329 58.724 57.345 0.084 0.000 1.266 238 W CB -1.150 28.319 29.460 0.015 0.000 1.150 238 W HN 0.531 nan 8.180 nan 0.000 0.496 239 P HA -0.088 nan 4.420 nan 0.000 0.228 239 P C 0.830 177.675 177.300 -0.757 0.000 1.151 239 P CA 2.296 64.894 63.100 -0.837 0.000 0.770 239 P CB -0.402 30.423 31.700 -1.458 0.000 0.786 240 A N -2.186 120.380 122.820 -0.423 0.000 2.348 240 A HA 0.171 4.490 4.320 -0.001 0.000 0.224 240 A C 0.464 178.061 177.584 0.021 0.000 1.227 240 A CA -0.422 51.572 52.037 -0.072 0.000 0.885 240 A CB -0.955 18.183 19.000 0.230 0.000 0.933 240 A HN 0.052 nan 8.150 nan 0.000 0.506 241 F N 2.002 121.808 119.950 -0.240 0.000 2.578 241 F HA 0.332 4.858 4.527 -0.002 0.000 0.376 241 F C 0.807 176.604 175.800 -0.005 0.000 1.085 241 F CA 0.434 58.347 58.000 -0.144 0.000 1.260 241 F CB 0.375 39.112 39.000 -0.439 0.000 1.095 241 F HN 0.142 nan 8.300 nan 0.000 0.573 242 R N 3.199 123.455 120.500 -0.406 0.000 2.888 242 R HA 0.168 4.507 4.340 -0.001 0.000 0.266 242 R C 0.618 176.510 176.300 -0.680 0.000 1.020 242 R CA -0.994 54.946 56.100 -0.267 0.000 0.963 242 R CB 1.189 31.384 30.300 -0.174 0.000 1.197 242 R HN 0.732 nan 8.270 nan 0.000 0.481 243 H N 0.618 119.085 119.070 -1.004 0.000 2.390 243 H HA -0.134 4.422 4.556 -0.000 0.000 0.298 243 H C 1.640 176.583 175.328 -0.642 0.000 1.106 243 H CA 2.231 57.461 56.048 -1.364 0.000 1.297 243 H CB 0.203 29.247 29.762 -1.197 0.000 1.375 243 H HN 0.297 nan 8.280 nan 0.000 0.509 244 V N 0.440 120.077 119.914 -0.463 0.000 2.407 244 V HA -0.226 3.893 4.120 -0.001 0.000 0.248 244 V C 1.550 177.450 176.094 -0.324 0.000 1.055 244 V CA 2.478 64.574 62.300 -0.339 0.000 1.049 244 V CB -0.310 31.405 31.823 -0.179 0.000 0.662 244 V HN 0.546 nan 8.190 nan 0.000 0.455 245 D N -0.591 119.573 120.400 -0.394 0.000 2.144 245 D HA -0.180 4.459 4.640 -0.001 0.000 0.200 245 D C 1.881 177.975 176.300 -0.342 0.000 0.978 245 D CA 1.642 55.451 54.000 -0.319 0.000 0.833 245 D CB -0.307 40.158 40.800 -0.558 0.000 0.961 245 D HN 0.585 nan 8.370 nan 0.000 0.470 246 F N 1.759 121.337 119.950 -0.621 0.000 2.134 246 F HA -0.117 4.409 4.527 -0.001 0.000 0.299 246 F C 2.145 177.700 175.800 -0.407 0.000 1.097 246 F CA 1.089 58.891 58.000 -0.330 0.000 1.264 246 F CB -0.269 38.597 39.000 -0.223 0.000 1.001 246 F HN -0.150 nan 8.300 nan 0.000 0.479 247 L N -0.007 120.903 121.223 -0.521 0.000 2.141 247 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 247 L C 2.679 179.326 176.870 -0.373 0.000 1.094 247 L CA 1.356 55.904 54.840 -0.486 0.000 0.763 247 L CB -0.770 41.048 42.059 -0.401 0.000 0.908 247 L HN 0.162 nan 8.230 nan 0.000 0.437 248 R N 0.595 120.916 120.500 -0.299 0.000 2.066 248 R HA -0.152 4.187 4.340 -0.001 0.000 0.232 248 R C 2.427 178.543 176.300 -0.307 0.000 1.131 248 R CA 1.390 57.407 56.100 -0.138 0.000 0.955 248 R CB -0.214 30.147 30.300 0.101 0.000 0.851 248 R HN 0.299 nan 8.270 nan 0.000 0.432 249 A N 1.379 123.693 122.820 -0.844 0.000 1.892 249 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 249 A C 2.227 179.351 177.584 -0.766 0.000 1.188 249 A CA 1.484 52.587 52.037 -1.556 0.000 0.631 249 A CB -0.684 17.311 19.000 -1.674 0.000 0.822 249 A HN 0.357 nan 8.150 nan 0.000 0.447 250 L N -1.267 119.580 121.223 -0.627 0.000 2.056 250 L HA -0.168 4.172 4.340 -0.001 0.000 0.207 250 L C 2.838 179.606 176.870 -0.171 0.000 1.078 250 L CA 1.742 56.338 54.840 -0.407 0.000 0.749 250 L CB -0.574 41.189 42.059 -0.494 0.000 0.901 250 L HN 0.534 nan 8.230 nan 0.000 0.433 251 R N 0.441 120.836 120.500 -0.175 0.000 2.073 251 R HA -0.189 4.150 4.340 -0.001 0.000 0.234 251 R C 1.818 178.112 176.300 -0.009 0.000 1.134 251 R CA 2.020 58.077 56.100 -0.071 0.000 0.952 251 R CB -0.160 30.099 30.300 -0.067 0.000 0.850 251 R HN 0.273 nan 8.270 nan 0.000 0.433 252 D N -0.394 120.015 120.400 0.015 0.000 2.144 252 D HA -0.196 4.443 4.640 -0.001 0.000 0.199 252 D C 1.581 177.943 176.300 0.103 0.000 0.984 252 D CA 1.198 55.271 54.000 0.122 0.000 0.834 252 D CB -0.408 40.601 40.800 0.347 0.000 0.955 252 D HN 0.346 nan 8.370 nan 0.000 0.465 253 Y N 1.100 121.366 120.300 -0.056 0.000 2.145 253 Y HA -0.222 4.328 4.550 -0.001 0.000 0.286 253 Y C 2.548 178.425 175.900 -0.038 0.000 1.145 253 Y CA 1.934 60.005 58.100 -0.049 0.000 1.148 253 Y CB -0.362 38.032 38.460 -0.111 0.000 0.981 253 Y HN -0.100 nan 8.280 nan 0.000 0.507 254 S N 0.142 115.877 115.700 0.059 0.000 2.368 254 S HA -0.186 4.283 4.470 -0.001 0.000 0.225 254 S C 2.018 176.572 174.600 -0.077 0.000 1.030 254 S CA 1.192 59.386 58.200 -0.010 0.000 0.999 254 S CB -0.792 62.430 63.200 0.036 0.000 0.844 254 S HN 0.585 nan 8.310 nan 0.000 0.459 255 A N 0.942 123.735 122.820 -0.046 0.000 2.238 255 A HA 0.290 4.610 4.320 -0.001 0.000 0.208 255 A C 1.215 178.767 177.584 -0.052 0.000 1.177 255 A CA -0.106 51.910 52.037 -0.035 0.000 0.804 255 A CB -0.127 18.872 19.000 -0.002 0.000 0.823 255 A HN 0.512 nan 8.150 nan 0.000 0.482 256 R N 0.000 120.436 120.500 -0.106 0.000 2.786 256 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 256 R CA 0.000 56.034 56.100 -0.109 0.000 0.921 256 R CB 0.000 30.231 30.300 -0.114 0.000 0.687 256 R HN 0.000 nan 8.270 nan 0.000 0.535