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 1loo_1_A DATA FIRST_RESID 27 DATA SEQUENCE AATGSRVTVV LGAQWGDEGK GKVVDLLATD ADIVSRCQGG NNAGHTVVVD DATA SEQUENCE GKEYDFHLLP SGIINTKAVS FIGNGVVIHL PGLFEEAEKN EKKGLKDWEK DATA SEQUENCE RLIISDRAHL VFDFHQAVDG LQEVQRQAQE GKNIGTTKKG IGPTYSSKAA DATA SEQUENCE RTGLRICDLL SDFDEFSARF KNLAHQHQSM FPTLEIDVEG QLKRLKGFAE DATA SEQUENCE RIRPMVRDGV YFMYEALHGP PKKVLVEGAN AALLDIDFGT YPFVTSSNCT DATA SEQUENCE VGGVCTGLGI PPQNIGDVYG VVKAYTTRVG IGAFPTEQIN EIGDLLQNRG DATA SEQUENCE HEWGVTTGRK RRCGWLDLMI LRYAHMVNGF TALALTKLDI LDVLSEIKVG DATA SEQUENCE ISYKLNGKRI PYFPANQEIL QKVEVEYETL PGWKADTTGA RKWEDLPPQA DATA SEQUENCE QSYVRFVENH MGVAVKWVGV GKSRESMIQL F 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 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.577 177.584 -0.012 0.000 1.274 27 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 27 A CB 0.000 18.977 19.000 -0.039 0.000 0.831 28 A N 0.829 123.656 122.820 0.012 0.000 2.014 28 A HA 0.171 4.491 4.320 -0.000 0.000 0.218 28 A C 1.891 179.528 177.584 0.089 0.000 1.163 28 A CA 2.623 54.694 52.037 0.056 0.000 0.652 28 A CB -0.739 18.294 19.000 0.055 0.000 0.808 28 A HN 1.086 nan 8.150 nan 0.000 0.449 29 T N -0.371 114.192 114.554 0.015 0.000 2.684 29 T HA 0.282 4.632 4.350 -0.000 0.000 0.267 29 T C 1.355 175.894 174.700 -0.268 0.000 1.036 29 T CA 1.766 63.846 62.100 -0.033 0.000 1.148 29 T CB -0.671 68.165 68.868 -0.054 0.000 0.863 29 T HN 1.590 nan 8.240 nan 0.000 0.436 30 G N 0.482 109.117 108.800 -0.275 0.000 2.587 30 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.212 30 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.212 30 G C -0.229 174.485 174.900 -0.310 0.000 1.327 30 G CA -0.427 44.415 45.100 -0.430 0.000 0.898 30 G HN 0.489 nan 8.290 nan 0.000 0.551 31 S N 0.430 115.944 115.700 -0.309 0.000 2.562 31 S HA 0.496 4.966 4.470 -0.000 0.000 0.281 31 S C 0.670 175.164 174.600 -0.177 0.000 1.333 31 S CA 0.012 58.091 58.200 -0.202 0.000 1.052 31 S CB 0.725 63.816 63.200 -0.181 0.000 0.884 31 S HN 0.655 nan 8.310 nan 0.000 0.506 32 R N 1.233 121.663 120.500 -0.117 0.000 2.393 32 R HA 0.450 4.790 4.340 -0.000 0.000 0.310 32 R C -0.174 176.085 176.300 -0.068 0.000 0.968 32 R CA -0.804 55.243 56.100 -0.088 0.000 0.867 32 R CB 1.086 31.343 30.300 -0.072 0.000 1.124 32 R HN 0.559 nan 8.270 nan 0.000 0.450 33 V N 0.063 119.945 119.914 -0.054 0.000 2.924 33 V HA 0.292 4.412 4.120 -0.000 0.000 0.305 33 V C 0.100 176.167 176.094 -0.045 0.000 1.073 33 V CA -0.158 62.122 62.300 -0.034 0.000 1.098 33 V CB 1.410 33.229 31.823 -0.007 0.000 1.000 33 V HN 0.635 nan 8.190 nan 0.000 0.484 34 T N 3.957 118.490 114.554 -0.035 0.000 2.795 34 T HA 0.653 5.003 4.350 -0.000 0.000 0.282 34 T C -0.319 174.352 174.700 -0.049 0.000 0.980 34 T CA -0.306 61.749 62.100 -0.074 0.000 1.012 34 T CB 1.283 70.142 68.868 -0.015 0.000 0.936 34 T HN 0.776 nan 8.240 nan 0.000 0.457 35 V N 3.378 123.235 119.914 -0.095 0.000 2.680 35 V HA 0.592 4.712 4.120 -0.000 0.000 0.309 35 V C -0.416 175.703 176.094 0.041 0.000 1.052 35 V CA -0.877 61.415 62.300 -0.013 0.000 0.908 35 V CB 2.100 33.923 31.823 0.001 0.000 1.001 35 V HN 0.663 nan 8.190 nan 0.000 0.431 36 V N 5.708 125.675 119.914 0.089 0.000 2.407 36 V HA 0.546 4.666 4.120 -0.000 0.000 0.291 36 V C -0.413 175.740 176.094 0.098 0.000 1.018 36 V CA -0.298 62.080 62.300 0.130 0.000 0.842 36 V CB 1.352 33.227 31.823 0.087 0.000 0.996 36 V HN 0.656 nan 8.190 nan 0.000 0.426 37 L N 3.527 124.834 121.223 0.140 0.000 2.354 37 L HA 0.788 5.128 4.340 -0.000 0.000 0.269 37 L C 0.774 177.705 176.870 0.102 0.000 1.005 37 L CA -0.745 54.183 54.840 0.147 0.000 0.819 37 L CB 2.021 44.236 42.059 0.261 0.000 1.311 37 L HN 0.694 nan 8.230 nan 0.000 0.423 38 G N 0.241 109.089 108.800 0.080 0.000 2.403 38 G HA2 0.430 4.389 3.960 -0.000 0.000 0.259 38 G HA3 0.430 4.389 3.960 -0.000 0.000 0.259 38 G C 0.493 175.442 174.900 0.081 0.000 1.244 38 G CA 0.185 45.311 45.100 0.043 0.000 0.849 38 G HN 0.835 nan 8.290 nan 0.000 0.532 39 A N 1.926 124.757 122.820 0.019 0.000 2.267 39 A HA 0.304 4.624 4.320 -0.000 0.000 0.213 39 A C 1.380 178.956 177.584 -0.012 0.000 1.192 39 A CA 0.656 52.735 52.037 0.070 0.000 0.851 39 A CB 0.239 19.195 19.000 -0.073 0.000 0.881 39 A HN 0.673 nan 8.150 nan 0.000 0.494 40 Q N -2.363 117.406 119.800 -0.052 0.000 3.079 40 Q HA 0.244 4.584 4.340 -0.000 0.000 0.206 40 Q C -0.009 175.895 176.000 -0.160 0.000 1.168 40 Q CA -0.626 55.084 55.803 -0.154 0.000 0.338 40 Q CB 0.330 29.035 28.738 -0.054 0.000 5.762 40 Q HN 0.602 nan 8.270 nan 0.000 0.302 41 W N 1.097 122.389 121.300 -0.014 0.000 3.067 41 W HA 0.462 5.122 4.660 -0.000 0.000 0.417 41 W C 0.037 176.550 176.519 -0.011 0.000 1.029 41 W CA 0.885 58.220 57.345 -0.018 0.000 1.992 41 W CB 0.366 29.776 29.460 -0.084 0.000 1.122 41 W HN 0.736 nan 8.180 nan 0.000 0.681 42 G N 1.323 110.223 108.800 0.166 0.000 2.661 42 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.685 42 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.685 42 G C 0.024 174.964 174.900 0.066 0.000 1.298 42 G CA -0.451 44.712 45.100 0.104 0.000 0.855 42 G HN 0.111 nan 8.290 nan 0.000 0.560 43 D N -0.957 119.465 120.400 0.036 0.000 2.945 43 D HA -0.156 4.484 4.640 -0.000 0.000 0.225 43 D C 1.193 177.478 176.300 -0.024 0.000 1.158 43 D CA 1.716 55.721 54.000 0.009 0.000 0.805 43 D CB -0.830 39.981 40.800 0.019 0.000 1.098 43 D HN 0.732 nan 8.370 nan 0.000 0.426 44 E N -0.079 120.105 120.200 -0.028 0.000 2.158 44 E HA 0.216 4.566 4.350 -0.000 0.000 0.191 44 E C 1.776 178.335 176.600 -0.068 0.000 0.982 44 E CA 1.174 57.538 56.400 -0.060 0.000 0.823 44 E CB 0.106 29.775 29.700 -0.051 0.000 0.766 44 E HN 0.496 nan 8.360 nan 0.000 0.468 45 G N 0.329 109.093 108.800 -0.059 0.000 2.189 45 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.113 45 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.113 45 G C 0.595 175.442 174.900 -0.088 0.000 1.038 45 G CA 0.097 45.157 45.100 -0.066 0.000 0.704 45 G HN 0.092 nan 8.290 nan 0.000 0.490 46 K N 0.108 120.455 120.400 -0.089 0.000 2.032 46 K HA -0.054 4.265 4.320 -0.000 0.000 0.209 46 K C 2.753 179.259 176.600 -0.156 0.000 1.048 46 K CA 1.460 57.682 56.287 -0.109 0.000 0.927 46 K CB -0.294 32.155 32.500 -0.085 0.000 0.712 46 K HN 0.426 nan 8.250 nan 0.000 0.441 47 G N 1.892 110.574 108.800 -0.197 0.000 2.475 47 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.220 47 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.220 47 G C 1.446 176.283 174.900 -0.105 0.000 1.125 47 G CA 0.996 45.918 45.100 -0.298 0.000 0.755 47 G HN 0.270 nan 8.290 nan 0.000 0.565 48 K N -0.124 120.225 120.400 -0.086 0.000 2.103 48 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 48 K C 2.543 179.027 176.600 -0.193 0.000 1.052 48 K CA 0.940 57.170 56.287 -0.095 0.000 0.945 48 K CB -0.101 32.340 32.500 -0.098 0.000 0.722 48 K HN 0.222 nan 8.250 nan 0.000 0.443 49 V N 0.689 120.452 119.914 -0.251 0.000 2.453 49 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 49 V C 2.246 178.161 176.094 -0.298 0.000 1.048 49 V CA 1.152 63.210 62.300 -0.403 0.000 1.049 49 V CB 0.047 31.634 31.823 -0.393 0.000 0.672 49 V HN 0.112 nan 8.190 nan 0.000 0.457 50 V N 0.070 119.877 119.914 -0.178 0.000 2.270 50 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 50 V C 2.331 178.380 176.094 -0.076 0.000 1.043 50 V CA 2.140 64.374 62.300 -0.109 0.000 1.014 50 V CB -0.686 31.074 31.823 -0.105 0.000 0.645 50 V HN 0.510 nan 8.190 nan 0.000 0.447 51 D N 0.042 120.416 120.400 -0.043 0.000 2.158 51 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 51 D C 1.966 178.241 176.300 -0.042 0.000 0.995 51 D CA 1.300 55.304 54.000 0.007 0.000 0.846 51 D CB -0.256 40.580 40.800 0.060 0.000 0.941 51 D HN 0.355 nan 8.370 nan 0.000 0.456 52 L N 0.309 121.462 121.223 -0.117 0.000 2.141 52 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 52 L C 1.962 178.767 176.870 -0.108 0.000 1.094 52 L CA 1.389 56.141 54.840 -0.146 0.000 0.763 52 L CB -0.354 41.526 42.059 -0.298 0.000 0.908 52 L HN 0.007 nan 8.230 nan 0.000 0.437 53 L N -0.994 120.162 121.223 -0.112 0.000 2.307 53 L HA 0.131 4.471 4.340 -0.000 0.000 0.211 53 L C 2.473 179.345 176.870 0.004 0.000 1.099 53 L CA 0.632 55.453 54.840 -0.032 0.000 0.816 53 L CB -0.670 41.385 42.059 -0.007 0.000 0.952 53 L HN 0.268 nan 8.230 nan 0.000 0.455 54 A N -0.245 122.572 122.820 -0.006 0.000 2.121 54 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 54 A C 2.260 179.851 177.584 0.013 0.000 1.154 54 A CA 1.782 53.824 52.037 0.007 0.000 0.679 54 A CB -0.701 18.302 19.000 0.005 0.000 0.795 54 A HN 0.331 nan 8.150 nan 0.000 0.458 55 T N 1.203 115.764 114.554 0.011 0.000 2.607 55 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 55 T C 1.337 176.049 174.700 0.020 0.000 1.049 55 T CA 1.745 63.855 62.100 0.017 0.000 1.162 55 T CB -0.341 68.536 68.868 0.016 0.000 0.863 55 T HN 0.861 nan 8.240 nan 0.000 0.424 56 D N 0.648 121.062 120.400 0.024 0.000 2.525 56 D HA 0.376 5.016 4.640 -0.000 0.000 0.229 56 D C -0.056 176.258 176.300 0.023 0.000 1.202 56 D CA -0.287 53.728 54.000 0.024 0.000 0.828 56 D CB -0.191 40.626 40.800 0.029 0.000 1.008 56 D HN 0.315 nan 8.370 nan 0.000 0.493 57 A N 0.407 123.241 122.820 0.023 0.000 2.309 57 A HA 0.297 4.617 4.320 -0.000 0.000 0.298 57 A C 0.789 178.384 177.584 0.018 0.000 1.165 57 A CA -0.597 51.454 52.037 0.022 0.000 0.821 57 A CB 0.895 19.912 19.000 0.028 0.000 1.102 57 A HN -0.009 nan 8.150 nan 0.000 0.500 58 D N 1.143 121.549 120.400 0.011 0.000 2.162 58 D HA 0.051 4.691 4.640 -0.000 0.000 0.203 58 D C 0.211 176.527 176.300 0.027 0.000 0.967 58 D CA 1.553 55.558 54.000 0.008 0.000 0.840 58 D CB 0.220 41.010 40.800 -0.016 0.000 0.972 58 D HN 0.551 nan 8.370 nan 0.000 0.482 59 I N 0.909 121.499 120.570 0.034 0.000 2.533 59 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 59 I C -0.901 175.264 176.117 0.079 0.000 1.056 59 I CA -0.789 60.556 61.300 0.076 0.000 1.057 59 I CB 3.147 41.201 38.000 0.089 0.000 1.240 59 I HN -0.388 nan 8.210 nan 0.000 0.423 60 V N 4.624 124.593 119.914 0.091 0.000 2.487 60 V HA 0.618 4.737 4.120 -0.000 0.000 0.298 60 V C -0.134 176.023 176.094 0.105 0.000 1.028 60 V CA -0.316 62.025 62.300 0.068 0.000 0.860 60 V CB 1.784 33.618 31.823 0.019 0.000 0.991 60 V HN 0.918 nan 8.190 nan 0.000 0.427 61 S N 5.076 120.842 115.700 0.109 0.000 2.697 61 S HA 0.824 5.294 4.470 -0.000 0.000 0.289 61 S C -0.915 173.708 174.600 0.039 0.000 1.149 61 S CA -1.149 57.124 58.200 0.122 0.000 0.850 61 S CB 2.527 65.903 63.200 0.293 0.000 1.151 61 S HN 0.590 nan 8.310 nan 0.000 0.491 62 R N -0.143 120.345 120.500 -0.021 0.000 2.513 62 R HA 0.489 4.828 4.340 -0.000 0.000 0.301 62 R C 0.273 176.540 176.300 -0.055 0.000 0.968 62 R CA -0.569 55.510 56.100 -0.034 0.000 0.872 62 R CB 1.449 31.717 30.300 -0.054 0.000 1.177 62 R HN 0.962 nan 8.270 nan 0.000 0.444 63 C N 0.313 119.610 119.300 -0.006 0.000 2.865 63 C HA 0.309 4.769 4.460 -0.000 0.000 0.280 63 C C 0.158 175.159 174.990 0.017 0.000 1.255 63 C CA -0.272 58.750 59.018 0.007 0.000 1.705 63 C CB 0.190 27.958 27.740 0.046 0.000 2.080 63 C HN 0.492 nan 8.230 nan 0.000 0.591 64 Q N 0.313 120.128 119.800 0.026 0.000 2.315 64 Q HA 0.379 4.719 4.340 -0.000 0.000 0.273 64 Q C 0.604 176.640 176.000 0.060 0.000 1.053 64 Q CA 0.354 56.192 55.803 0.058 0.000 0.817 64 Q CB 1.829 30.601 28.738 0.057 0.000 1.326 64 Q HN 0.324 nan 8.270 nan 0.000 0.423 65 G N 1.130 109.987 108.800 0.095 0.000 2.394 65 G HA2 0.103 4.063 3.960 -0.000 0.000 0.214 65 G HA3 0.103 4.063 3.960 -0.000 0.000 0.214 65 G C 0.867 175.826 174.900 0.097 0.000 1.176 65 G CA 1.130 46.278 45.100 0.080 0.000 0.786 65 G HN 0.947 nan 8.290 nan 0.000 0.533 66 G N 0.612 109.492 108.800 0.133 0.000 2.675 66 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.312 66 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.312 66 G C 1.086 176.048 174.900 0.102 0.000 1.186 66 G CA 1.050 46.209 45.100 0.098 0.000 0.965 66 G HN 0.649 nan 8.290 nan 0.000 0.548 67 N N 1.659 120.411 118.700 0.087 0.000 2.282 67 N HA 0.110 4.850 4.740 -0.000 0.000 0.185 67 N C 0.841 176.402 175.510 0.086 0.000 1.099 67 N CA 0.957 54.057 53.050 0.083 0.000 0.878 67 N CB -0.131 38.406 38.487 0.083 0.000 0.993 67 N HN 0.666 nan 8.380 nan 0.000 0.481 68 N N -0.433 118.323 118.700 0.093 0.000 2.735 68 N HA -0.217 4.523 4.740 -0.000 0.000 0.248 68 N C -0.727 174.891 175.510 0.180 0.000 1.083 68 N CA 0.086 53.206 53.050 0.117 0.000 0.703 68 N CB -0.770 37.767 38.487 0.084 0.000 1.005 68 N HN 0.295 nan 8.380 nan 0.000 0.550 69 A N 0.251 123.162 122.820 0.153 0.000 2.448 69 A HA 0.514 4.834 4.320 -0.000 0.000 0.239 69 A C 1.149 178.865 177.584 0.221 0.000 1.080 69 A CA 0.547 52.688 52.037 0.173 0.000 0.779 69 A CB 0.339 19.406 19.000 0.112 0.000 1.026 69 A HN 0.330 nan 8.150 nan 0.000 0.499 70 G N -0.905 108.025 108.800 0.218 0.000 2.507 70 G HA2 0.490 4.449 3.960 -0.000 0.000 0.271 70 G HA3 0.490 4.449 3.960 -0.000 0.000 0.271 70 G C -0.608 174.294 174.900 0.003 0.000 1.189 70 G CA -0.065 45.002 45.100 -0.054 0.000 0.859 70 G HN 1.104 nan 8.290 nan 0.000 0.542 71 H N -0.903 118.037 119.070 -0.217 0.000 2.934 71 H HA 0.498 5.053 4.556 -0.000 0.000 0.340 71 H C -0.691 174.572 175.328 -0.108 0.000 1.008 71 H CA -0.492 55.509 56.048 -0.078 0.000 1.317 71 H CB 1.421 31.197 29.762 0.022 0.000 1.670 71 H HN 0.404 nan 8.280 nan 0.000 0.516 72 T N 5.410 119.724 114.554 -0.401 0.000 2.799 72 T HA 0.517 4.867 4.350 -0.000 0.000 0.286 72 T C -0.614 173.767 174.700 -0.531 0.000 0.973 72 T CA -0.505 61.338 62.100 -0.428 0.000 1.035 72 T CB 0.681 69.430 68.868 -0.198 0.000 0.932 72 T HN 0.345 nan 8.240 nan 0.000 0.469 73 V N 4.074 123.759 119.914 -0.381 0.000 2.709 73 V HA 0.600 4.720 4.120 -0.000 0.000 0.308 73 V C -0.287 175.791 176.094 -0.027 0.000 1.062 73 V CA -0.996 61.221 62.300 -0.138 0.000 0.901 73 V CB 2.002 33.881 31.823 0.093 0.000 1.003 73 V HN 0.788 nan 8.190 nan 0.000 0.425 74 V N 3.229 123.143 119.914 -0.001 0.000 2.409 74 V HA 0.953 5.073 4.120 -0.000 0.000 0.291 74 V C -0.437 175.687 176.094 0.049 0.000 1.020 74 V CA -0.730 61.562 62.300 -0.013 0.000 0.848 74 V CB 1.433 33.231 31.823 -0.041 0.000 0.990 74 V HN 0.968 nan 8.190 nan 0.000 0.430 75 V N 0.571 120.528 119.914 0.072 0.000 2.808 75 V HA 0.630 4.750 4.120 -0.000 0.000 0.308 75 V C 0.001 176.137 176.094 0.070 0.000 1.099 75 V CA -0.552 61.812 62.300 0.106 0.000 0.920 75 V CB 1.576 33.519 31.823 0.201 0.000 1.014 75 V HN 0.901 nan 8.190 nan 0.000 0.425 76 D N 3.043 123.474 120.400 0.051 0.000 2.845 76 D HA -0.213 4.427 4.640 -0.000 0.000 0.229 76 D C 1.267 177.572 176.300 0.009 0.000 1.170 76 D CA 2.172 56.194 54.000 0.036 0.000 0.717 76 D CB -1.142 39.691 40.800 0.055 0.000 1.073 76 D HN 2.137 nan 8.370 nan 0.000 0.424 77 G N -0.917 107.874 108.800 -0.015 0.000 2.131 77 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.223 77 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.223 77 G C 0.030 174.876 174.900 -0.091 0.000 0.990 77 G CA 0.405 45.480 45.100 -0.041 0.000 0.671 77 G HN 0.404 nan 8.290 nan 0.000 0.521 78 K N 0.209 120.522 120.400 -0.144 0.000 2.378 78 K HA 0.650 4.970 4.320 -0.000 0.000 0.252 78 K C -0.429 175.892 176.600 -0.467 0.000 0.931 78 K CA -0.686 55.406 56.287 -0.325 0.000 0.794 78 K CB 2.345 34.593 32.500 -0.420 0.000 1.181 78 K HN 0.260 nan 8.250 nan 0.000 0.425 79 E N 2.656 122.557 120.200 -0.498 0.000 2.133 79 E HA 0.278 4.628 4.350 -0.000 0.000 0.274 79 E C -1.116 175.129 176.600 -0.591 0.000 0.930 79 E CA -0.622 55.522 56.400 -0.427 0.000 0.770 79 E CB 0.624 30.175 29.700 -0.248 0.000 1.104 79 E HN 0.423 nan 8.360 nan 0.000 0.403 80 Y N 2.022 122.136 120.300 -0.311 0.000 2.487 80 Y HA 0.370 4.920 4.550 -0.000 0.000 0.337 80 Y C -0.221 175.202 175.900 -0.794 0.000 1.076 80 Y CA -1.000 56.760 58.100 -0.567 0.000 1.115 80 Y CB 1.660 39.688 38.460 -0.720 0.000 1.235 80 Y HN 0.459 nan 8.280 nan 0.000 0.468 81 D N 1.604 121.606 120.400 -0.663 0.000 2.505 81 D HA 0.379 5.019 4.640 -0.000 0.000 0.250 81 D C -1.684 174.241 176.300 -0.626 0.000 1.164 81 D CA -0.345 53.313 54.000 -0.570 0.000 0.870 81 D CB 0.372 41.030 40.800 -0.237 0.000 1.160 81 D HN 0.151 nan 8.370 nan 0.000 0.549 82 F N 2.066 121.876 119.950 -0.233 0.000 2.480 82 F HA 0.460 4.987 4.527 -0.000 0.000 0.329 82 F C 1.443 177.013 175.800 -0.383 0.000 1.091 82 F CA -0.636 57.246 58.000 -0.197 0.000 0.972 82 F CB 1.604 40.557 39.000 -0.078 0.000 1.150 82 F HN 0.415 nan 8.300 nan 0.000 0.467 83 H N 1.117 120.301 119.070 0.191 0.000 2.067 83 H HA 0.292 4.848 4.556 -0.000 0.000 0.220 83 H C 1.622 176.990 175.328 0.067 0.000 0.883 83 H CA 0.497 56.610 56.048 0.107 0.000 1.042 83 H CB 0.549 30.346 29.762 0.058 0.000 1.305 83 H HN 0.486 nan 8.280 nan 0.000 0.430 84 L N 1.215 122.531 121.223 0.155 0.000 2.354 84 L HA 0.174 4.514 4.340 -0.000 0.000 0.212 84 L C 0.408 177.269 176.870 -0.015 0.000 1.091 84 L CA 0.188 55.051 54.840 0.038 0.000 0.828 84 L CB 0.320 42.367 42.059 -0.020 0.000 0.973 84 L HN -0.079 nan 8.230 nan 0.000 0.461 85 L N 1.260 122.477 121.223 -0.009 0.000 2.367 85 L HA 0.208 4.548 4.340 -0.000 0.000 0.275 85 L C -2.120 174.647 176.870 -0.172 0.000 1.129 85 L CA -1.911 52.860 54.840 -0.114 0.000 0.839 85 L CB 0.178 42.137 42.059 -0.166 0.000 1.133 85 L HN -0.227 nan 8.230 nan 0.000 0.453 86 P HA 0.004 nan 4.420 nan 0.000 0.269 86 P C 0.544 177.649 177.300 -0.326 0.000 1.209 86 P CA -0.172 62.829 63.100 -0.166 0.000 0.776 86 P CB 0.861 32.497 31.700 -0.107 0.000 0.876 87 S N 1.928 117.540 115.700 -0.147 0.000 2.383 87 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 87 S C 2.115 176.597 174.600 -0.196 0.000 1.030 87 S CA 1.427 59.578 58.200 -0.081 0.000 1.002 87 S CB -1.748 61.606 63.200 0.258 0.000 0.829 87 S HN 0.567 nan 8.310 nan 0.000 0.467 88 G N 1.049 109.774 108.800 -0.125 0.000 2.653 88 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.212 88 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.212 88 G C 1.116 175.933 174.900 -0.137 0.000 1.138 88 G CA 0.466 45.513 45.100 -0.088 0.000 0.782 88 G HN 0.620 nan 8.290 nan 0.000 0.535 89 I N 0.299 120.699 120.570 -0.283 0.000 2.850 89 I HA -0.090 4.080 4.170 -0.000 0.000 0.266 89 I C 1.936 177.938 176.117 -0.191 0.000 1.257 89 I CA 0.293 61.444 61.300 -0.248 0.000 1.465 89 I CB 0.081 37.857 38.000 -0.374 0.000 1.091 89 I HN 0.040 nan 8.210 nan 0.000 0.467 90 I N 0.586 121.049 120.570 -0.179 0.000 2.315 90 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 90 I C 1.216 177.320 176.117 -0.021 0.000 1.117 90 I CA 0.847 62.104 61.300 -0.072 0.000 1.404 90 I CB -1.563 36.456 38.000 0.031 0.000 1.071 90 I HN 0.300 nan 8.210 nan 0.000 0.419 91 N N 1.971 120.660 118.700 -0.018 0.000 2.416 91 N HA -0.051 4.689 4.740 -0.000 0.000 0.265 91 N C 1.232 176.746 175.510 0.006 0.000 1.195 91 N CA 0.461 53.513 53.050 0.004 0.000 0.943 91 N CB 0.901 39.392 38.487 0.006 0.000 1.115 91 N HN 0.245 nan 8.380 nan 0.000 0.481 92 T N 0.874 115.438 114.554 0.017 0.000 3.085 92 T HA 0.031 4.381 4.350 -0.000 0.000 0.263 92 T C 1.014 175.726 174.700 0.021 0.000 1.127 92 T CA 0.907 63.020 62.100 0.021 0.000 1.103 92 T CB 0.038 68.923 68.868 0.028 0.000 0.921 92 T HN 0.456 nan 8.240 nan 0.000 0.510 93 K N 0.860 121.271 120.400 0.020 0.000 2.374 93 K HA 0.556 4.875 4.320 -0.000 0.000 0.196 93 K C 0.621 177.233 176.600 0.021 0.000 1.023 93 K CA -0.136 56.163 56.287 0.019 0.000 1.103 93 K CB 0.553 33.063 32.500 0.018 0.000 0.848 93 K HN 0.452 nan 8.250 nan 0.000 0.528 94 A N 0.601 123.435 122.820 0.023 0.000 2.386 94 A HA 0.604 4.924 4.320 -0.000 0.000 0.308 94 A C -0.708 176.902 177.584 0.043 0.000 1.128 94 A CA -0.636 51.419 52.037 0.030 0.000 0.789 94 A CB 1.360 20.375 19.000 0.024 0.000 1.325 94 A HN -0.054 nan 8.150 nan 0.000 0.437 95 V N 1.217 121.173 119.914 0.069 0.000 2.427 95 V HA 0.438 4.558 4.120 -0.000 0.000 0.286 95 V C 0.308 176.467 176.094 0.109 0.000 1.034 95 V CA -0.286 62.074 62.300 0.100 0.000 0.893 95 V CB 1.472 33.398 31.823 0.172 0.000 0.982 95 V HN 0.822 nan 8.190 nan 0.000 0.452 96 S N 4.860 120.611 115.700 0.086 0.000 2.480 96 S HA 0.663 5.133 4.470 -0.000 0.000 0.286 96 S C -0.837 173.852 174.600 0.149 0.000 1.180 96 S CA -0.261 57.985 58.200 0.078 0.000 1.075 96 S CB 0.636 63.838 63.200 0.003 0.000 0.996 96 S HN 0.543 nan 8.310 nan 0.000 0.487 97 F N 4.528 124.457 119.950 -0.034 0.000 2.539 97 F HA 0.564 5.090 4.527 -0.000 0.000 0.318 97 F C -1.453 174.322 175.800 -0.042 0.000 1.135 97 F CA -1.306 56.655 58.000 -0.065 0.000 0.915 97 F CB 0.782 39.780 39.000 -0.002 0.000 1.176 97 F HN 0.289 nan 8.300 nan 0.000 0.440 98 I N 5.636 125.802 120.570 -0.673 0.000 2.307 98 I HA 0.338 4.508 4.170 -0.000 0.000 0.289 98 I C 0.909 176.429 176.117 -0.995 0.000 1.021 98 I CA -0.452 60.486 61.300 -0.603 0.000 1.224 98 I CB 0.467 38.269 38.000 -0.330 0.000 1.376 98 I HN 0.703 nan 8.210 nan 0.000 0.470 99 G N 5.430 113.762 108.800 -0.779 0.000 2.651 99 G HA2 0.021 3.981 3.960 -0.000 0.000 0.260 99 G HA3 0.021 3.981 3.960 -0.000 0.000 0.260 99 G C 1.034 175.794 174.900 -0.232 0.000 1.216 99 G CA -0.475 44.303 45.100 -0.537 0.000 0.913 99 G HN 0.760 nan 8.290 nan 0.000 0.535 100 N N -0.215 118.449 118.700 -0.061 0.000 2.453 100 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 100 N C 1.746 177.281 175.510 0.041 0.000 1.041 100 N CA 1.091 54.151 53.050 0.016 0.000 0.900 100 N CB -0.108 38.430 38.487 0.085 0.000 0.961 100 N HN 0.497 nan 8.380 nan 0.000 0.443 101 G N 0.534 109.353 108.800 0.032 0.000 2.813 101 G HA2 0.144 4.104 3.960 -0.000 0.000 0.209 101 G HA3 0.144 4.104 3.960 -0.000 0.000 0.209 101 G C 0.350 175.295 174.900 0.075 0.000 1.150 101 G CA -0.147 44.996 45.100 0.073 0.000 0.785 101 G HN 0.169 nan 8.290 nan 0.000 0.535 102 V N 1.803 121.716 119.914 -0.000 0.000 2.465 102 V HA 0.334 4.454 4.120 -0.000 0.000 0.279 102 V C 0.461 176.509 176.094 -0.076 0.000 1.045 102 V CA -0.997 61.289 62.300 -0.024 0.000 0.938 102 V CB 1.421 33.201 31.823 -0.073 0.000 0.986 102 V HN 0.181 nan 8.190 nan 0.000 0.467 103 V N 4.422 124.256 119.914 -0.133 0.000 2.546 103 V HA 0.630 4.750 4.120 -0.000 0.000 0.284 103 V C -0.275 175.727 176.094 -0.154 0.000 1.050 103 V CA -0.340 61.824 62.300 -0.226 0.000 0.981 103 V CB 1.048 32.599 31.823 -0.453 0.000 0.990 103 V HN 0.645 nan 8.190 nan 0.000 0.474 104 I N 4.397 124.877 120.570 -0.150 0.000 2.465 104 I HA 0.419 4.589 4.170 -0.000 0.000 0.291 104 I C -0.329 175.732 176.117 -0.093 0.000 1.014 104 I CA -0.481 60.745 61.300 -0.123 0.000 1.093 104 I CB 1.776 39.691 38.000 -0.142 0.000 1.267 104 I HN 0.807 nan 8.210 nan 0.000 0.431 105 H N 6.692 125.651 119.070 -0.185 0.000 2.641 105 H HA 0.200 4.756 4.556 -0.000 0.000 0.295 105 H C 0.357 175.552 175.328 -0.222 0.000 1.070 105 H CA -0.921 55.022 56.048 -0.174 0.000 1.257 105 H CB 1.259 30.948 29.762 -0.121 0.000 1.393 105 H HN 0.531 nan 8.280 nan 0.000 0.464 106 L N 7.309 128.295 121.223 -0.396 0.000 1.963 106 L HA -0.170 4.170 4.340 -0.000 0.000 0.220 106 L C -0.426 176.020 176.870 -0.706 0.000 1.076 106 L CA 1.855 56.327 54.840 -0.614 0.000 0.772 106 L CB -2.280 39.260 42.059 -0.865 0.000 0.892 106 L HN 0.645 nan 8.230 nan 0.000 0.435 107 P HA -0.164 nan 4.420 nan 0.000 0.214 107 P C 1.692 178.851 177.300 -0.235 0.000 1.163 107 P CA 2.096 64.983 63.100 -0.355 0.000 0.889 107 P CB -0.300 31.257 31.700 -0.238 0.000 0.790 108 G N 0.383 108.935 108.800 -0.413 0.000 2.469 108 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 108 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 108 G C 1.592 176.415 174.900 -0.128 0.000 1.150 108 G CA 0.977 46.005 45.100 -0.120 0.000 0.763 108 G HN 0.270 nan 8.290 nan 0.000 0.561 109 L N -0.335 120.742 121.223 -0.243 0.000 1.976 109 L HA 0.121 4.460 4.340 -0.000 0.000 0.209 109 L C 2.565 179.227 176.870 -0.347 0.000 1.071 109 L CA 1.726 56.364 54.840 -0.337 0.000 0.746 109 L CB -0.826 40.909 42.059 -0.540 0.000 0.890 109 L HN 0.185 nan 8.230 nan 0.000 0.432 110 F N 0.361 120.265 119.950 -0.077 0.000 2.216 110 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 110 F C 2.630 178.417 175.800 -0.022 0.000 1.085 110 F CA 1.575 59.580 58.000 0.008 0.000 1.326 110 F CB -0.741 38.359 39.000 0.166 0.000 1.027 110 F HN 0.322 nan 8.300 nan 0.000 0.497 111 E N 0.391 120.672 120.200 0.135 0.000 2.110 111 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 111 E C 2.182 178.791 176.600 0.015 0.000 0.988 111 E CA 1.354 57.802 56.400 0.080 0.000 0.804 111 E CB -0.128 29.607 29.700 0.057 0.000 0.745 111 E HN 0.563 nan 8.360 nan 0.000 0.458 112 E N -0.333 119.846 120.200 -0.035 0.000 2.076 112 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 112 E C 1.946 178.456 176.600 -0.149 0.000 0.979 112 E CA 0.756 57.132 56.400 -0.040 0.000 0.807 112 E CB -0.087 29.612 29.700 -0.003 0.000 0.761 112 E HN 0.317 nan 8.360 nan 0.000 0.454 113 A N 1.322 123.946 122.820 -0.327 0.000 1.877 113 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 113 A C 1.931 179.236 177.584 -0.466 0.000 1.186 113 A CA 1.719 53.304 52.037 -0.754 0.000 0.620 113 A CB -0.540 17.630 19.000 -1.382 0.000 0.822 113 A HN 0.306 nan 8.150 nan 0.000 0.443 114 E N -0.520 119.597 120.200 -0.138 0.000 2.077 114 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 114 E C 2.147 178.756 176.600 0.015 0.000 0.989 114 E CA 1.118 57.532 56.400 0.023 0.000 0.800 114 E CB -0.106 29.657 29.700 0.104 0.000 0.746 114 E HN 0.411 nan 8.360 nan 0.000 0.452 115 K N 1.232 121.631 120.400 -0.002 0.000 2.009 115 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 115 K C 1.602 178.219 176.600 0.028 0.000 1.049 115 K CA 1.379 57.675 56.287 0.014 0.000 0.929 115 K CB -0.267 32.238 32.500 0.009 0.000 0.714 115 K HN 0.105 nan 8.250 nan 0.000 0.440 116 N N 1.088 119.800 118.700 0.019 0.000 2.244 116 N HA -0.158 4.581 4.740 -0.000 0.000 0.183 116 N C 1.805 177.425 175.510 0.184 0.000 1.016 116 N CA 0.832 53.966 53.050 0.139 0.000 0.866 116 N CB -0.084 38.464 38.487 0.102 0.000 0.980 116 N HN 0.443 nan 8.380 nan 0.000 0.430 117 E N 1.604 121.839 120.200 0.059 0.000 2.051 117 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 117 E C 0.821 177.521 176.600 0.167 0.000 0.991 117 E CA 1.091 57.574 56.400 0.139 0.000 0.799 117 E CB 0.112 29.921 29.700 0.181 0.000 0.748 117 E HN 0.248 nan 8.360 nan 0.000 0.449 118 K N 0.025 120.498 120.400 0.122 0.000 2.611 118 K HA -0.008 4.312 4.320 -0.000 0.000 0.193 118 K C 1.056 177.705 176.600 0.082 0.000 1.026 118 K CA 0.409 56.754 56.287 0.097 0.000 1.063 118 K CB 0.239 32.781 32.500 0.070 0.000 0.839 118 K HN 0.031 nan 8.250 nan 0.000 0.505 119 K N -1.204 119.269 120.400 0.123 0.000 2.477 119 K HA 0.134 4.453 4.320 -0.000 0.000 0.208 119 K C 0.855 177.531 176.600 0.126 0.000 1.117 119 K CA 0.398 56.720 56.287 0.058 0.000 1.039 119 K CB 1.721 34.194 32.500 -0.046 0.000 0.937 119 K HN 0.262 nan 8.250 nan 0.000 0.570 120 G N 1.127 110.100 108.800 0.288 0.000 3.505 120 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.210 120 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.210 120 G C -0.534 174.564 174.900 0.331 0.000 1.047 120 G CA -0.718 44.587 45.100 0.343 0.000 0.884 120 G HN 0.063 nan 8.290 nan 0.000 0.434 121 L N 2.593 124.005 121.223 0.315 0.000 2.698 121 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 121 L C 0.246 177.250 176.870 0.224 0.000 1.154 121 L CA 0.436 55.319 54.840 0.072 0.000 0.964 121 L CB 0.224 42.225 42.059 -0.096 0.000 1.272 121 L HN 0.128 nan 8.230 nan 0.000 0.483 122 K N 3.529 124.050 120.400 0.202 0.000 2.259 122 K HA 0.267 4.587 4.320 -0.000 0.000 0.249 122 K C -0.261 176.436 176.600 0.163 0.000 0.942 122 K CA -0.448 55.964 56.287 0.209 0.000 0.816 122 K CB 1.555 34.137 32.500 0.136 0.000 1.155 122 K HN 0.568 nan 8.250 nan 0.000 0.428 123 D N 1.829 122.280 120.400 0.086 0.000 2.945 123 D HA -0.203 4.436 4.640 -0.000 0.000 0.225 123 D C 1.203 177.467 176.300 -0.059 0.000 1.158 123 D CA 0.935 54.908 54.000 -0.044 0.000 0.805 123 D CB -0.949 39.846 40.800 -0.008 0.000 1.098 123 D HN 0.749 nan 8.370 nan 0.000 0.426 124 W N 1.497 122.802 121.300 0.008 0.000 2.388 124 W HA -0.140 4.520 4.660 -0.000 0.000 0.294 124 W C 1.519 178.038 176.519 0.000 0.000 1.212 124 W CA 1.268 58.606 57.345 -0.011 0.000 1.271 124 W CB -0.897 28.554 29.460 -0.014 0.000 1.126 124 W HN 0.130 nan 8.180 nan 0.000 0.535 125 E N 1.818 121.332 120.200 -1.145 0.000 2.510 125 E HA -0.175 4.175 4.350 -0.000 0.000 0.202 125 E C 1.126 177.501 176.600 -0.375 0.000 1.072 125 E CA 1.046 56.873 56.400 -0.956 0.000 0.883 125 E CB -0.567 28.429 29.700 -1.173 0.000 0.818 125 E HN 0.444 nan 8.360 nan 0.000 0.548 126 K N 0.435 120.692 120.400 -0.239 0.000 2.360 126 K HA 0.147 4.467 4.320 -0.000 0.000 0.196 126 K C 1.686 178.259 176.600 -0.045 0.000 1.049 126 K CA 0.215 56.431 56.287 -0.118 0.000 1.049 126 K CB 0.546 32.988 32.500 -0.096 0.000 0.881 126 K HN 0.111 nan 8.250 nan 0.000 0.542 127 R N 0.337 120.827 120.500 -0.017 0.000 2.535 127 R HA 0.231 4.571 4.340 -0.000 0.000 0.323 127 R C -0.322 176.005 176.300 0.044 0.000 0.979 127 R CA -0.348 55.766 56.100 0.024 0.000 1.120 127 R CB 0.132 30.453 30.300 0.034 0.000 1.306 127 R HN -0.097 nan 8.270 nan 0.000 0.540 128 L N 1.674 122.922 121.223 0.042 0.000 2.313 128 L HA 0.571 4.911 4.340 -0.000 0.000 0.283 128 L C -1.132 175.749 176.870 0.018 0.000 1.013 128 L CA -0.859 54.018 54.840 0.062 0.000 0.816 128 L CB 1.441 43.592 42.059 0.153 0.000 1.236 128 L HN 0.106 nan 8.230 nan 0.000 0.419 129 I N 5.726 126.303 120.570 0.012 0.000 2.530 129 I HA 0.485 4.655 4.170 -0.000 0.000 0.297 129 I C -0.759 175.375 176.117 0.029 0.000 1.011 129 I CA -0.555 60.722 61.300 -0.037 0.000 1.107 129 I CB 2.063 39.889 38.000 -0.290 0.000 1.285 129 I HN 0.496 nan 8.210 nan 0.000 0.436 130 I N 3.775 124.341 120.570 -0.007 0.000 2.478 130 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 130 I C 0.057 176.171 176.117 -0.005 0.000 1.042 130 I CA -0.482 60.774 61.300 -0.072 0.000 1.067 130 I CB 2.049 40.005 38.000 -0.073 0.000 1.233 130 I HN 0.472 nan 8.210 nan 0.000 0.431 131 S N 3.543 119.215 115.700 -0.046 0.000 2.537 131 S HA -0.027 4.443 4.470 -0.000 0.000 0.286 131 S C 1.107 175.726 174.600 0.032 0.000 1.299 131 S CA -0.312 57.938 58.200 0.085 0.000 1.067 131 S CB 0.372 63.606 63.200 0.056 0.000 0.864 131 S HN 0.733 nan 8.310 nan 0.000 0.494 132 D N 4.366 124.805 120.400 0.064 0.000 2.363 132 D HA -0.055 4.585 4.640 -0.000 0.000 0.226 132 D C 1.184 177.499 176.300 0.024 0.000 1.020 132 D CA 0.522 54.543 54.000 0.035 0.000 0.892 132 D CB -0.101 40.726 40.800 0.046 0.000 0.900 132 D HN 0.578 nan 8.370 nan 0.000 0.531 133 R N -0.003 120.523 120.500 0.042 0.000 2.317 133 R HA 0.344 4.683 4.340 -0.000 0.000 0.208 133 R C 0.516 176.836 176.300 0.035 0.000 0.914 133 R CA 0.013 56.138 56.100 0.042 0.000 1.060 133 R CB 0.491 30.841 30.300 0.083 0.000 1.015 133 R HN 0.098 nan 8.270 nan 0.000 0.498 134 A N 1.163 123.985 122.820 0.002 0.000 2.440 134 A HA 0.106 4.425 4.320 -0.000 0.000 0.251 134 A C -0.642 176.921 177.584 -0.036 0.000 1.089 134 A CA -0.159 51.876 52.037 -0.003 0.000 0.779 134 A CB 0.056 19.018 19.000 -0.063 0.000 1.022 134 A HN 0.240 nan 8.150 nan 0.000 0.492 135 H N 0.418 119.423 119.070 -0.108 0.000 2.615 135 H HA 0.450 5.006 4.556 -0.000 0.000 0.363 135 H C -0.156 175.045 175.328 -0.213 0.000 1.148 135 H CA 0.354 56.316 56.048 -0.143 0.000 1.401 135 H CB 0.591 30.236 29.762 -0.194 0.000 1.461 135 H HN 0.537 nan 8.280 nan 0.000 0.588 136 L N 2.370 123.467 121.223 -0.209 0.000 2.307 136 L HA 0.294 4.634 4.340 -0.000 0.000 0.284 136 L C -0.557 175.999 176.870 -0.524 0.000 1.023 136 L CA -0.951 53.652 54.840 -0.396 0.000 0.810 136 L CB 1.476 43.194 42.059 -0.568 0.000 1.231 136 L HN 0.298 nan 8.230 nan 0.000 0.423 137 V N 4.109 123.815 119.914 -0.346 0.000 2.353 137 V HA 0.215 4.334 4.120 -0.000 0.000 0.264 137 V C 0.178 176.202 176.094 -0.116 0.000 1.049 137 V CA -0.247 61.921 62.300 -0.219 0.000 0.896 137 V CB 0.092 31.799 31.823 -0.193 0.000 1.025 137 V HN 0.354 nan 8.190 nan 0.000 0.475 138 F N 2.246 122.247 119.950 0.085 0.000 2.368 138 F HA 0.293 4.820 4.527 -0.000 0.000 0.308 138 F C 1.634 177.276 175.800 -0.264 0.000 1.198 138 F CA -0.646 57.255 58.000 -0.165 0.000 1.130 138 F CB 0.319 38.936 39.000 -0.639 0.000 1.300 138 F HN 0.414 nan 8.300 nan 0.000 0.537 139 D N 0.489 121.007 120.400 0.196 0.000 2.144 139 D HA -0.189 4.451 4.640 -0.000 0.000 0.199 139 D C 2.045 178.366 176.300 0.036 0.000 0.984 139 D CA 1.636 55.730 54.000 0.157 0.000 0.834 139 D CB -0.393 40.593 40.800 0.310 0.000 0.955 139 D HN 0.485 nan 8.370 nan 0.000 0.465 140 F N -0.342 119.602 119.950 -0.011 0.000 2.365 140 F HA 0.031 4.558 4.527 -0.000 0.000 0.300 140 F C 2.115 177.836 175.800 -0.132 0.000 1.090 140 F CA 0.777 58.705 58.000 -0.120 0.000 1.408 140 F CB -1.192 37.665 39.000 -0.239 0.000 1.060 140 F HN 0.072 nan 8.300 nan 0.000 0.534 141 H N 0.404 119.215 119.070 -0.431 0.000 2.321 141 H HA -0.115 4.441 4.556 -0.000 0.000 0.300 141 H C 2.177 177.400 175.328 -0.175 0.000 1.087 141 H CA 1.745 57.621 56.048 -0.286 0.000 1.319 141 H CB -0.183 29.368 29.762 -0.351 0.000 1.379 141 H HN 0.360 nan 8.280 nan 0.000 0.501 142 Q N 0.032 119.789 119.800 -0.071 0.000 2.181 142 Q HA -0.148 4.192 4.340 -0.000 0.000 0.205 142 Q C 2.539 178.508 176.000 -0.050 0.000 0.980 142 Q CA 0.977 56.721 55.803 -0.098 0.000 0.862 142 Q CB -0.016 28.617 28.738 -0.174 0.000 0.905 142 Q HN 0.490 nan 8.270 nan 0.000 0.429 143 A N 0.288 123.096 122.820 -0.020 0.000 1.872 143 A HA -0.097 4.223 4.320 -0.000 0.000 0.214 143 A C 2.284 179.831 177.584 -0.062 0.000 1.187 143 A CA 1.024 53.056 52.037 -0.008 0.000 0.614 143 A CB -0.588 18.438 19.000 0.043 0.000 0.826 143 A HN 0.201 nan 8.150 nan 0.000 0.442 144 V N 0.669 120.525 119.914 -0.097 0.000 2.594 144 V HA -0.215 3.905 4.120 -0.000 0.000 0.253 144 V C 2.186 178.130 176.094 -0.249 0.000 1.069 144 V CA 2.414 64.522 62.300 -0.319 0.000 1.082 144 V CB -0.648 30.959 31.823 -0.361 0.000 0.680 144 V HN 0.663 nan 8.190 nan 0.000 0.469 145 D N 0.166 120.499 120.400 -0.112 0.000 2.213 145 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 145 D C 2.183 178.454 176.300 -0.050 0.000 0.961 145 D CA 1.143 55.102 54.000 -0.068 0.000 0.853 145 D CB -0.116 40.657 40.800 -0.044 0.000 0.967 145 D HN 0.341 nan 8.370 nan 0.000 0.496 146 G N -0.269 108.503 108.800 -0.047 0.000 2.448 146 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 146 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 146 G C 1.358 176.247 174.900 -0.018 0.000 1.135 146 G CA 0.385 45.470 45.100 -0.025 0.000 0.784 146 G HN 0.238 nan 8.290 nan 0.000 0.543 147 L N -0.193 121.009 121.223 -0.035 0.000 2.253 147 L HA 0.186 4.526 4.340 -0.000 0.000 0.205 147 L C 2.815 179.688 176.870 0.006 0.000 1.078 147 L CA 0.873 55.706 54.840 -0.011 0.000 0.805 147 L CB -0.676 41.376 42.059 -0.011 0.000 0.963 147 L HN 0.165 nan 8.230 nan 0.000 0.459 148 Q N -0.421 119.368 119.800 -0.019 0.000 2.197 148 Q HA -0.280 4.060 4.340 -0.000 0.000 0.207 148 Q C 1.986 178.005 176.000 0.032 0.000 0.984 148 Q CA 1.703 57.522 55.803 0.028 0.000 0.869 148 Q CB -0.021 28.724 28.738 0.013 0.000 0.906 148 Q HN 0.365 nan 8.270 nan 0.000 0.426 149 E N -0.181 120.028 120.200 0.015 0.000 2.158 149 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 149 E C 0.556 177.170 176.600 0.023 0.000 0.982 149 E CA 0.433 56.845 56.400 0.019 0.000 0.823 149 E CB 0.438 30.146 29.700 0.013 0.000 0.766 149 E HN 0.021 nan 8.360 nan 0.000 0.468 150 V N 1.772 121.699 119.914 0.022 0.000 3.099 150 V HA 0.137 4.257 4.120 -0.000 0.000 0.387 150 V C 0.869 176.982 176.094 0.032 0.000 1.358 150 V CA 0.691 63.006 62.300 0.024 0.000 1.528 150 V CB -0.352 31.484 31.823 0.021 0.000 1.342 150 V HN 0.291 nan 8.190 nan 0.000 0.513 151 Q N -0.247 119.574 119.800 0.036 0.000 2.219 151 Q HA 0.029 4.369 4.340 -0.000 0.000 0.169 151 Q C 1.947 177.971 176.000 0.040 0.000 0.701 151 Q CA -0.466 55.363 55.803 0.043 0.000 0.871 151 Q CB 0.119 28.894 28.738 0.062 0.000 1.215 151 Q HN 0.345 nan 8.270 nan 0.000 0.373 152 R N 1.291 121.815 120.500 0.040 0.000 2.092 152 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 152 R C 0.487 176.806 176.300 0.031 0.000 1.119 152 R CA 2.298 58.420 56.100 0.035 0.000 0.970 152 R CB 0.220 30.540 30.300 0.034 0.000 0.864 152 R HN 0.503 nan 8.270 nan 0.000 0.440 153 Q N -2.582 117.236 119.800 0.030 0.000 2.275 153 Q HA 0.386 4.726 4.340 -0.000 0.000 0.314 153 Q C -0.212 175.803 176.000 0.024 0.000 0.851 153 Q CA 0.118 55.938 55.803 0.029 0.000 1.083 153 Q CB 0.904 29.663 28.738 0.034 0.000 1.341 153 Q HN 0.075 nan 8.270 nan 0.000 0.402 154 A N 0.207 123.041 122.820 0.023 0.000 2.343 154 A HA 0.214 4.534 4.320 -0.000 0.000 0.223 154 A C 0.717 178.311 177.584 0.017 0.000 1.214 154 A CA 0.144 52.193 52.037 0.020 0.000 0.900 154 A CB 0.572 19.584 19.000 0.021 0.000 0.942 154 A HN 0.254 nan 8.150 nan 0.000 0.507 155 Q N 1.116 120.927 119.800 0.018 0.000 3.394 155 Q HA 0.188 4.528 4.340 -0.000 0.000 0.285 155 Q C -0.976 175.033 176.000 0.016 0.000 0.866 155 Q CA -0.037 55.776 55.803 0.016 0.000 0.844 155 Q CB 0.149 28.897 28.738 0.016 0.000 1.472 155 Q HN 0.449 nan 8.270 nan 0.000 0.401 156 E N -1.404 118.805 120.200 0.015 0.000 2.694 156 E HA -0.170 4.180 4.350 -0.000 0.000 0.272 156 E C 0.023 176.635 176.600 0.020 0.000 1.040 156 E CA 1.102 57.512 56.400 0.015 0.000 0.809 156 E CB -1.712 27.995 29.700 0.013 0.000 1.389 156 E HN 0.665 nan 8.360 nan 0.000 0.413 157 G N 0.184 108.998 108.800 0.023 0.000 2.462 157 G HA2 0.499 4.459 3.960 -0.000 0.000 0.319 157 G HA3 0.499 4.459 3.960 -0.000 0.000 0.319 157 G C -0.078 174.845 174.900 0.038 0.000 1.171 157 G CA -0.807 44.311 45.100 0.029 0.000 0.920 157 G HN -0.049 nan 8.290 nan 0.000 0.499 158 K N 0.712 121.142 120.400 0.050 0.000 2.237 158 K HA 0.171 4.491 4.320 -0.000 0.000 0.270 158 K C -0.254 176.403 176.600 0.094 0.000 1.015 158 K CA -0.222 56.114 56.287 0.082 0.000 0.949 158 K CB 0.730 33.292 32.500 0.104 0.000 0.976 158 K HN 0.449 nan 8.250 nan 0.000 0.472 159 N N 1.076 119.854 118.700 0.129 0.000 2.413 159 N HA 0.417 5.157 4.740 -0.000 0.000 0.266 159 N C 0.362 176.015 175.510 0.238 0.000 1.238 159 N CA -0.290 52.836 53.050 0.126 0.000 0.972 159 N CB 0.910 39.440 38.487 0.072 0.000 1.210 159 N HN 0.456 nan 8.380 nan 0.000 0.547 160 I N -2.269 118.408 120.570 0.178 0.000 2.766 160 I HA 0.357 4.527 4.170 -0.000 0.000 0.297 160 I C 0.873 177.089 176.117 0.165 0.000 0.797 160 I CA -0.225 61.191 61.300 0.194 0.000 2.632 160 I CB -0.062 37.937 38.000 -0.002 0.000 1.637 160 I HN 0.532 nan 8.210 nan 0.000 0.485 161 G N -0.035 108.811 108.800 0.078 0.000 3.217 161 G HA2 0.434 4.393 3.960 -0.000 0.000 0.213 161 G HA3 0.434 4.393 3.960 -0.000 0.000 0.213 161 G C -0.634 174.296 174.900 0.049 0.000 1.294 161 G CA -0.011 45.129 45.100 0.068 0.000 0.987 161 G HN 0.117 nan 8.290 nan 0.000 0.584 162 T N -1.203 113.378 114.554 0.044 0.000 2.667 162 T HA 0.543 4.893 4.350 -0.000 0.000 0.305 162 T C 0.116 174.829 174.700 0.022 0.000 1.022 162 T CA 0.616 62.736 62.100 0.034 0.000 0.995 162 T CB 0.389 69.278 68.868 0.036 0.000 1.026 162 T HN 0.605 nan 8.240 nan 0.000 0.527 163 T N 0.929 115.490 114.554 0.011 0.000 2.731 163 T HA 0.429 4.779 4.350 -0.000 0.000 0.300 163 T C -0.240 174.452 174.700 -0.013 0.000 1.283 163 T CA -1.023 61.077 62.100 -0.000 0.000 1.005 163 T CB 1.249 70.119 68.868 0.004 0.000 1.420 163 T HN 0.704 nan 8.240 nan 0.000 0.503 164 K N -0.634 119.753 120.400 -0.022 0.000 3.445 164 K HA -0.254 4.065 4.320 -0.000 0.000 0.316 164 K C 0.927 177.492 176.600 -0.059 0.000 1.278 164 K CA 1.500 57.767 56.287 -0.033 0.000 0.976 164 K CB -0.898 31.591 32.500 -0.018 0.000 1.238 164 K HN 0.457 nan 8.250 nan 0.000 0.430 165 K N -0.402 119.961 120.400 -0.061 0.000 2.334 165 K HA 0.070 4.390 4.320 -0.000 0.000 0.195 165 K C 1.192 177.713 176.600 -0.131 0.000 1.045 165 K CA 0.645 56.878 56.287 -0.089 0.000 1.004 165 K CB 0.677 33.148 32.500 -0.049 0.000 0.837 165 K HN 0.365 nan 8.250 nan 0.000 0.510 166 G N 2.182 110.924 108.800 -0.096 0.000 2.198 166 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 166 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 166 G C 0.718 175.535 174.900 -0.139 0.000 1.025 166 G CA 0.217 45.254 45.100 -0.105 0.000 0.769 166 G HN 0.119 nan 8.290 nan 0.000 0.507 167 I N 0.939 121.461 120.570 -0.081 0.000 2.110 167 I HA -0.056 4.114 4.170 -0.000 0.000 0.236 167 I C 3.064 179.192 176.117 0.019 0.000 1.068 167 I CA 2.080 63.351 61.300 -0.047 0.000 1.333 167 I CB -1.774 36.267 38.000 0.067 0.000 1.054 167 I HN 0.258 nan 8.210 nan 0.000 0.402 168 G N 2.316 111.161 108.800 0.075 0.000 2.553 168 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 168 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 168 G C -0.466 174.466 174.900 0.055 0.000 1.195 168 G CA 0.983 46.147 45.100 0.106 0.000 0.779 168 G HN 0.301 nan 8.290 nan 0.000 0.577 169 P HA -0.064 nan 4.420 nan 0.000 0.216 169 P C 2.040 179.210 177.300 -0.216 0.000 1.150 169 P CA 1.882 64.987 63.100 0.009 0.000 0.843 169 P CB -0.237 31.507 31.700 0.073 0.000 0.787 170 T N -1.815 112.426 114.554 -0.521 0.000 2.737 170 T HA -0.173 4.177 4.350 -0.000 0.000 0.265 170 T C 1.501 175.957 174.700 -0.407 0.000 1.038 170 T CA 1.342 62.974 62.100 -0.780 0.000 1.144 170 T CB -1.087 67.352 68.868 -0.714 0.000 0.866 170 T HN 0.050 nan 8.240 nan 0.000 0.434 171 Y N 1.739 121.919 120.300 -0.201 0.000 2.274 171 Y HA -0.098 4.452 4.550 -0.000 0.000 0.290 171 Y C 2.982 178.827 175.900 -0.092 0.000 1.145 171 Y CA 0.658 58.667 58.100 -0.152 0.000 1.203 171 Y CB -0.644 37.753 38.460 -0.105 0.000 0.984 171 Y HN 0.148 nan 8.280 nan 0.000 0.533 172 S N -0.947 114.811 115.700 0.096 0.000 2.368 172 S HA -0.184 4.286 4.470 -0.000 0.000 0.225 172 S C 2.281 176.947 174.600 0.109 0.000 1.030 172 S CA 1.434 59.696 58.200 0.103 0.000 0.999 172 S CB -0.423 62.851 63.200 0.124 0.000 0.844 172 S HN 0.396 nan 8.310 nan 0.000 0.459 173 S N 1.096 116.872 115.700 0.126 0.000 2.382 173 S HA -0.098 4.372 4.470 -0.000 0.000 0.228 173 S C 1.845 176.536 174.600 0.151 0.000 1.027 173 S CA 1.163 59.491 58.200 0.213 0.000 0.991 173 S CB -0.195 63.217 63.200 0.353 0.000 0.823 173 S HN 0.515 nan 8.310 nan 0.000 0.469 174 K N 1.580 121.995 120.400 0.025 0.000 2.002 174 K HA -0.071 4.249 4.320 -0.000 0.000 0.209 174 K C 2.246 178.858 176.600 0.019 0.000 1.048 174 K CA 1.267 57.499 56.287 -0.091 0.000 0.930 174 K CB -0.427 31.781 32.500 -0.486 0.000 0.714 174 K HN 0.266 nan 8.250 nan 0.000 0.438 175 A N 0.977 123.816 122.820 0.032 0.000 1.948 175 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 175 A C 2.241 179.862 177.584 0.061 0.000 1.177 175 A CA 2.028 54.092 52.037 0.045 0.000 0.636 175 A CB -0.800 18.227 19.000 0.046 0.000 0.815 175 A HN 0.521 nan 8.150 nan 0.000 0.449 176 A N -1.981 120.888 122.820 0.082 0.000 2.206 176 A HA 0.283 4.603 4.320 -0.000 0.000 0.211 176 A C 1.128 178.771 177.584 0.099 0.000 1.158 176 A CA 0.821 52.910 52.037 0.086 0.000 0.761 176 A CB -0.183 18.876 19.000 0.098 0.000 0.801 176 A HN 0.462 nan 8.150 nan 0.000 0.473 177 R N -2.085 118.488 120.500 0.121 0.000 3.531 177 R HA -0.123 4.217 4.340 -0.000 0.000 0.280 177 R C 0.743 177.132 176.300 0.147 0.000 1.130 177 R CA 1.171 57.355 56.100 0.139 0.000 0.757 177 R CB -2.949 27.412 30.300 0.101 0.000 1.218 177 R HN 0.397 nan 8.270 nan 0.000 0.454 178 T N -2.128 112.533 114.554 0.179 0.000 2.969 178 T HA 0.265 4.615 4.350 -0.000 0.000 0.250 178 T C 1.056 175.905 174.700 0.248 0.000 1.021 178 T CA 0.508 62.719 62.100 0.185 0.000 1.003 178 T CB 0.276 69.254 68.868 0.184 0.000 1.040 178 T HN 0.511 nan 8.240 nan 0.000 0.492 179 G N 1.019 110.003 108.800 0.305 0.000 2.667 179 G HA2 0.524 4.484 3.960 -0.000 0.000 0.250 179 G HA3 0.524 4.484 3.960 -0.000 0.000 0.250 179 G C -0.832 174.237 174.900 0.282 0.000 1.212 179 G CA -0.304 45.020 45.100 0.374 0.000 0.874 179 G HN 0.409 nan 8.290 nan 0.000 0.561 180 L N -0.302 121.101 121.223 0.300 0.000 2.342 180 L HA 0.605 4.944 4.340 -0.000 0.000 0.271 180 L C 0.463 177.331 176.870 -0.004 0.000 1.008 180 L CA -0.824 54.169 54.840 0.254 0.000 0.818 180 L CB 2.211 44.651 42.059 0.635 0.000 1.296 180 L HN 0.528 nan 8.230 nan 0.000 0.427 181 R N 1.122 121.600 120.500 -0.037 0.000 2.923 181 R HA 0.509 4.849 4.340 -0.000 0.000 0.252 181 R C 0.938 177.233 176.300 -0.008 0.000 1.130 181 R CA -0.915 55.094 56.100 -0.152 0.000 1.043 181 R CB 1.578 31.729 30.300 -0.249 0.000 1.205 181 R HN 0.512 nan 8.270 nan 0.000 0.495 182 I N 0.814 121.359 120.570 -0.042 0.000 2.151 182 I HA -0.403 3.767 4.170 -0.000 0.000 0.243 182 I C 2.634 178.748 176.117 -0.006 0.000 1.080 182 I CA 1.775 63.064 61.300 -0.019 0.000 1.339 182 I CB -0.499 37.486 38.000 -0.024 0.000 1.039 182 I HN 0.794 nan 8.210 nan 0.000 0.409 183 C N 0.447 119.751 119.300 0.005 0.000 2.401 183 C HA -0.184 4.276 4.460 -0.000 0.000 0.276 183 C C 2.313 177.322 174.990 0.033 0.000 1.233 183 C CA 0.771 59.802 59.018 0.021 0.000 1.753 183 C CB -1.349 26.409 27.740 0.029 0.000 2.029 183 C HN 0.487 nan 8.230 nan 0.000 0.478 184 D N 0.914 121.354 120.400 0.066 0.000 2.144 184 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 184 D C 2.217 178.540 176.300 0.037 0.000 0.984 184 D CA 1.057 55.145 54.000 0.145 0.000 0.834 184 D CB -0.506 40.467 40.800 0.288 0.000 0.955 184 D HN 0.563 nan 8.370 nan 0.000 0.465 185 L N 0.277 121.397 121.223 -0.172 0.000 2.046 185 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 185 L C 1.820 178.542 176.870 -0.247 0.000 1.077 185 L CA 0.871 55.322 54.840 -0.648 0.000 0.747 185 L CB 0.011 41.820 42.059 -0.416 0.000 0.896 185 L HN 0.014 nan 8.230 nan 0.000 0.432 186 L N -0.944 120.229 121.223 -0.083 0.000 2.554 186 L HA 0.037 4.377 4.340 -0.000 0.000 0.226 186 L C 1.722 178.605 176.870 0.022 0.000 1.137 186 L CA 0.678 55.510 54.840 -0.012 0.000 0.863 186 L CB -0.607 41.454 42.059 0.003 0.000 0.985 186 L HN 0.094 nan 8.230 nan 0.000 0.451 187 S N -0.926 114.793 115.700 0.033 0.000 2.397 187 S HA 0.054 4.524 4.470 -0.000 0.000 0.261 187 S C -0.124 174.535 174.600 0.099 0.000 1.187 187 S CA -0.608 57.630 58.200 0.062 0.000 1.023 187 S CB 0.343 63.584 63.200 0.070 0.000 1.103 187 S HN 0.351 nan 8.310 nan 0.000 0.474 188 D N 0.605 121.068 120.400 0.105 0.000 2.402 188 D HA -0.023 4.616 4.640 -0.000 0.000 0.268 188 D C 0.560 176.972 176.300 0.187 0.000 1.294 188 D CA 0.262 54.340 54.000 0.130 0.000 0.945 188 D CB -0.318 40.541 40.800 0.098 0.000 1.112 188 D HN 0.394 nan 8.370 nan 0.000 0.517 189 F N 3.067 123.059 119.950 0.071 0.000 2.333 189 F HA -0.135 4.391 4.527 -0.000 0.000 0.300 189 F C 1.666 177.568 175.800 0.169 0.000 1.083 189 F CA 1.141 59.212 58.000 0.119 0.000 1.395 189 F CB 0.195 39.228 39.000 0.056 0.000 1.056 189 F HN 0.439 nan 8.300 nan 0.000 0.529 190 D N -0.060 120.444 120.400 0.173 0.000 2.097 190 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 190 D C 2.100 178.418 176.300 0.030 0.000 0.984 190 D CA 1.342 55.397 54.000 0.092 0.000 0.826 190 D CB -0.255 40.601 40.800 0.093 0.000 0.973 190 D HN 0.299 nan 8.370 nan 0.000 0.460 191 E N 0.065 120.299 120.200 0.057 0.000 2.204 191 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 191 E C 1.800 178.422 176.600 0.037 0.000 0.989 191 E CA 0.428 56.855 56.400 0.045 0.000 0.824 191 E CB -0.419 29.322 29.700 0.068 0.000 0.756 191 E HN 0.211 nan 8.360 nan 0.000 0.477 192 F N 0.352 120.219 119.950 -0.138 0.000 2.113 192 F HA -0.099 4.428 4.527 -0.000 0.000 0.297 192 F C 2.229 177.888 175.800 -0.235 0.000 1.103 192 F CA 1.638 59.523 58.000 -0.191 0.000 1.248 192 F CB -0.561 38.237 39.000 -0.337 0.000 0.999 192 F HN -0.041 nan 8.300 nan 0.000 0.475 193 S N 0.712 116.202 115.700 -0.350 0.000 2.359 193 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 193 S C 2.337 176.832 174.600 -0.175 0.000 1.035 193 S CA 1.188 59.192 58.200 -0.327 0.000 1.018 193 S CB -1.019 62.057 63.200 -0.207 0.000 0.876 193 S HN 0.539 nan 8.310 nan 0.000 0.448 194 A N 1.830 124.579 122.820 -0.119 0.000 1.908 194 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 194 A C 2.183 179.704 177.584 -0.106 0.000 1.181 194 A CA 1.380 53.368 52.037 -0.080 0.000 0.627 194 A CB -0.456 18.515 19.000 -0.048 0.000 0.818 194 A HN 0.408 nan 8.150 nan 0.000 0.445 195 R N -2.211 118.208 120.500 -0.136 0.000 2.090 195 R HA -0.045 4.295 4.340 -0.000 0.000 0.228 195 R C 2.019 178.206 176.300 -0.187 0.000 1.110 195 R CA 1.384 57.407 56.100 -0.130 0.000 0.973 195 R CB -0.437 29.808 30.300 -0.091 0.000 0.869 195 R HN 0.611 nan 8.270 nan 0.000 0.440 196 F N 2.253 121.892 119.950 -0.519 0.000 2.102 196 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 196 F C 1.915 177.491 175.800 -0.374 0.000 1.105 196 F CA 1.598 59.243 58.000 -0.592 0.000 1.239 196 F CB 0.009 38.486 39.000 -0.872 0.000 0.991 196 F HN -0.203 nan 8.300 nan 0.000 0.474 197 K N 0.396 120.695 120.400 -0.168 0.000 2.032 197 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 197 K C 1.811 178.284 176.600 -0.211 0.000 1.048 197 K CA 2.091 58.266 56.287 -0.186 0.000 0.927 197 K CB -0.615 31.853 32.500 -0.052 0.000 0.712 197 K HN 0.469 nan 8.250 nan 0.000 0.441 198 N N 0.904 119.506 118.700 -0.163 0.000 2.069 198 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 198 N C 1.806 177.253 175.510 -0.104 0.000 1.031 198 N CA 0.793 53.762 53.050 -0.134 0.000 0.852 198 N CB -0.149 38.270 38.487 -0.113 0.000 1.018 198 N HN 0.013 nan 8.380 nan 0.000 0.423 199 L N 1.571 122.700 121.223 -0.156 0.000 1.976 199 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 199 L C 2.284 179.017 176.870 -0.229 0.000 1.071 199 L CA 1.667 56.463 54.840 -0.072 0.000 0.746 199 L CB -1.001 41.039 42.059 -0.032 0.000 0.890 199 L HN 0.117 nan 8.230 nan 0.000 0.432 200 A N -1.478 120.854 122.820 -0.814 0.000 1.978 200 A HA -0.301 4.019 4.320 -0.000 0.000 0.220 200 A C 2.374 179.670 177.584 -0.479 0.000 1.170 200 A CA 1.784 53.074 52.037 -1.244 0.000 0.636 200 A CB -1.112 17.011 19.000 -1.462 0.000 0.810 200 A HN 0.777 nan 8.150 nan 0.000 0.448 201 H N 0.122 118.983 119.070 -0.349 0.000 2.293 201 H HA -0.131 4.425 4.556 -0.000 0.000 0.300 201 H C 2.006 177.275 175.328 -0.098 0.000 1.082 201 H CA 2.198 58.135 56.048 -0.185 0.000 1.308 201 H CB -0.356 29.320 29.762 -0.143 0.000 1.375 201 H HN 0.651 nan 8.280 nan 0.000 0.495 202 Q N -0.643 119.292 119.800 0.225 0.000 2.135 202 Q HA -0.189 4.150 4.340 -0.000 0.000 0.204 202 Q C 2.245 178.287 176.000 0.070 0.000 0.981 202 Q CA 1.705 57.607 55.803 0.164 0.000 0.856 202 Q CB -0.189 28.622 28.738 0.121 0.000 0.902 202 Q HN 0.635 nan 8.270 nan 0.000 0.425 203 H N 0.310 119.392 119.070 0.021 0.000 2.389 203 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 203 H C 1.754 177.166 175.328 0.139 0.000 1.081 203 H CA 1.210 57.351 56.048 0.155 0.000 1.345 203 H CB 0.149 29.978 29.762 0.111 0.000 1.393 203 H HN 0.242 nan 8.280 nan 0.000 0.520 204 Q N -0.493 119.339 119.800 0.054 0.000 2.369 204 Q HA -0.044 4.296 4.340 -0.000 0.000 0.206 204 Q C 1.979 177.941 176.000 -0.063 0.000 0.963 204 Q CA 1.037 56.828 55.803 -0.020 0.000 0.894 204 Q CB 0.357 29.004 28.738 -0.151 0.000 0.965 204 Q HN 0.355 nan 8.270 nan 0.000 0.475 205 S N 0.337 115.982 115.700 -0.092 0.000 2.348 205 S HA -0.013 4.457 4.470 -0.000 0.000 0.219 205 S C 1.816 176.330 174.600 -0.143 0.000 1.033 205 S CA 0.831 58.965 58.200 -0.109 0.000 0.974 205 S CB 0.003 63.167 63.200 -0.060 0.000 0.868 205 S HN 0.337 nan 8.310 nan 0.000 0.459 206 M N 0.018 119.494 119.600 -0.208 0.000 2.394 206 M HA 0.104 4.584 4.480 -0.000 0.000 0.264 206 M C -0.615 175.186 176.300 -0.831 0.000 1.073 206 M CA 1.111 56.104 55.300 -0.511 0.000 1.111 206 M CB -0.019 32.205 32.600 -0.627 0.000 1.401 206 M HN 0.138 nan 8.290 nan 0.000 0.448 207 F N 0.141 120.077 119.950 -0.023 0.000 2.646 207 F HA 0.312 4.839 4.527 -0.000 0.000 0.364 207 F C -1.793 173.999 175.800 -0.014 0.000 1.137 207 F CA -2.044 55.956 58.000 -0.000 0.000 1.085 207 F CB 0.710 39.734 39.000 0.039 0.000 1.331 207 F HN -0.162 nan 8.300 nan 0.000 0.472 208 P HA -0.122 nan 4.420 nan 0.000 0.221 208 P C 1.168 178.500 177.300 0.054 0.000 1.150 208 P CA 1.347 64.467 63.100 0.034 0.000 0.800 208 P CB 0.003 31.704 31.700 0.002 0.000 0.787 209 T N -3.289 111.320 114.554 0.092 0.000 3.219 209 T HA 0.149 4.499 4.350 -0.000 0.000 0.249 209 T C 0.693 175.439 174.700 0.077 0.000 1.099 209 T CA -0.402 61.742 62.100 0.073 0.000 0.988 209 T CB -0.436 68.477 68.868 0.075 0.000 0.999 209 T HN -0.122 nan 8.240 nan 0.000 0.550 210 L N 2.504 123.786 121.223 0.097 0.000 2.276 210 L HA 0.486 4.826 4.340 -0.000 0.000 0.286 210 L C -0.413 176.480 176.870 0.039 0.000 1.061 210 L CA -0.049 54.838 54.840 0.079 0.000 0.807 210 L CB 0.877 43.014 42.059 0.129 0.000 1.177 210 L HN 0.350 nan 8.230 nan 0.000 0.429 211 E N 6.343 126.565 120.200 0.035 0.000 2.134 211 E HA 0.457 4.807 4.350 -0.000 0.000 0.278 211 E C -0.878 175.739 176.600 0.029 0.000 0.959 211 E CA -0.345 56.069 56.400 0.024 0.000 0.783 211 E CB 1.976 31.694 29.700 0.031 0.000 1.095 211 E HN 0.478 nan 8.360 nan 0.000 0.399 212 I N 2.309 122.877 120.570 -0.003 0.000 2.439 212 I HA 0.107 4.277 4.170 -0.000 0.000 0.285 212 I C -0.408 175.723 176.117 0.023 0.000 1.021 212 I CA -0.772 60.527 61.300 -0.001 0.000 1.091 212 I CB 1.596 39.508 38.000 -0.146 0.000 1.242 212 I HN 0.406 nan 8.210 nan 0.000 0.439 213 D N 6.636 127.084 120.400 0.080 0.000 2.608 213 D HA 0.132 4.772 4.640 -0.000 0.000 0.224 213 D C 1.085 177.458 176.300 0.122 0.000 1.123 213 D CA -0.068 53.983 54.000 0.085 0.000 1.030 213 D CB 0.622 41.478 40.800 0.094 0.000 1.093 213 D HN 0.267 nan 8.370 nan 0.000 0.497 214 V N 2.857 122.830 119.914 0.099 0.000 2.220 214 V HA -0.303 3.816 4.120 -0.000 0.000 0.250 214 V C 2.297 178.492 176.094 0.168 0.000 1.053 214 V CA 1.749 64.149 62.300 0.167 0.000 1.019 214 V CB -0.375 31.496 31.823 0.079 0.000 0.646 214 V HN 0.472 nan 8.190 nan 0.000 0.455 215 E N 0.469 120.728 120.200 0.099 0.000 2.160 215 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 215 E C 2.249 178.891 176.600 0.070 0.000 0.991 215 E CA 1.447 57.893 56.400 0.076 0.000 0.810 215 E CB -0.846 28.888 29.700 0.056 0.000 0.742 215 E HN 0.687 nan 8.360 nan 0.000 0.466 216 G N 1.013 109.860 108.800 0.078 0.000 2.404 216 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.215 216 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.215 216 G C 1.574 176.527 174.900 0.088 0.000 1.174 216 G CA 0.555 45.699 45.100 0.073 0.000 0.780 216 G HN 0.263 nan 8.290 nan 0.000 0.537 217 Q N -0.686 119.193 119.800 0.132 0.000 2.046 217 Q HA 0.032 4.371 4.340 -0.000 0.000 0.200 217 Q C 2.499 178.501 176.000 0.002 0.000 0.975 217 Q CA 0.791 56.685 55.803 0.153 0.000 0.836 217 Q CB -0.262 28.671 28.738 0.324 0.000 0.896 217 Q HN 0.356 nan 8.270 nan 0.000 0.428 218 L N 1.484 122.631 121.223 -0.126 0.000 2.127 218 L HA -0.209 4.130 4.340 -0.000 0.000 0.211 218 L C 2.177 179.112 176.870 0.108 0.000 1.089 218 L CA 1.792 56.515 54.840 -0.195 0.000 0.757 218 L CB -0.332 41.646 42.059 -0.136 0.000 0.899 218 L HN 0.067 nan 8.230 nan 0.000 0.434 219 K N -0.890 119.550 120.400 0.067 0.000 2.031 219 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 219 K C 2.247 178.831 176.600 -0.027 0.000 1.049 219 K CA 1.023 57.328 56.287 0.030 0.000 0.939 219 K CB -0.059 32.445 32.500 0.005 0.000 0.717 219 K HN 0.248 nan 8.250 nan 0.000 0.438 220 R N 0.479 120.971 120.500 -0.013 0.000 2.152 220 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 220 R C 2.336 178.584 176.300 -0.087 0.000 1.117 220 R CA 0.960 56.989 56.100 -0.118 0.000 0.981 220 R CB -0.182 30.121 30.300 0.004 0.000 0.870 220 R HN 0.242 nan 8.270 nan 0.000 0.451 221 L N 0.589 121.935 121.223 0.204 0.000 2.044 221 L HA -0.156 4.184 4.340 -0.000 0.000 0.205 221 L C 2.604 179.609 176.870 0.226 0.000 1.075 221 L CA 1.274 56.361 54.840 0.413 0.000 0.747 221 L CB -0.406 41.907 42.059 0.425 0.000 0.903 221 L HN 0.114 nan 8.230 nan 0.000 0.435 222 K N 0.235 120.678 120.400 0.072 0.000 2.160 222 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 222 K C 1.920 178.351 176.600 -0.281 0.000 1.047 222 K CA 1.545 57.576 56.287 -0.426 0.000 0.930 222 K CB -0.267 31.685 32.500 -0.912 0.000 0.720 222 K HN 0.384 nan 8.250 nan 0.000 0.450 223 G N 0.036 108.688 108.800 -0.247 0.000 2.403 223 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 223 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 223 G C 1.142 175.881 174.900 -0.268 0.000 1.154 223 G CA 0.317 45.232 45.100 -0.308 0.000 0.784 223 G HN 0.220 nan 8.290 nan 0.000 0.538 224 F N 1.852 121.738 119.950 -0.106 0.000 2.186 224 F HA 0.132 4.658 4.527 -0.000 0.000 0.299 224 F C 2.989 178.782 175.800 -0.013 0.000 1.090 224 F CA 0.380 58.333 58.000 -0.079 0.000 1.307 224 F CB -0.688 38.361 39.000 0.080 0.000 1.019 224 F HN 0.237 nan 8.300 nan 0.000 0.489 225 A N 0.078 122.996 122.820 0.163 0.000 1.873 225 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 225 A C 2.225 179.828 177.584 0.032 0.000 1.193 225 A CA 1.966 54.045 52.037 0.071 0.000 0.629 225 A CB -0.651 18.345 19.000 -0.007 0.000 0.826 225 A HN 0.264 nan 8.150 nan 0.000 0.447 226 E N -0.706 119.473 120.200 -0.034 0.000 2.106 226 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 226 E C 2.107 178.695 176.600 -0.020 0.000 0.984 226 E CA 1.105 57.477 56.400 -0.046 0.000 0.806 226 E CB -0.383 29.260 29.700 -0.095 0.000 0.750 226 E HN 0.698 nan 8.360 nan 0.000 0.458 227 R N 0.367 120.852 120.500 -0.025 0.000 2.115 227 R HA 0.041 4.381 4.340 -0.000 0.000 0.230 227 R C 2.290 178.683 176.300 0.154 0.000 1.111 227 R CA 0.769 56.855 56.100 -0.024 0.000 0.976 227 R CB -0.104 30.046 30.300 -0.250 0.000 0.870 227 R HN 0.168 nan 8.270 nan 0.000 0.445 228 I N 0.050 120.776 120.570 0.260 0.000 3.035 228 I HA -0.100 4.069 4.170 -0.000 0.000 0.271 228 I C 2.325 178.522 176.117 0.134 0.000 1.190 228 I CA 0.244 61.728 61.300 0.306 0.000 1.472 228 I CB -0.071 38.148 38.000 0.364 0.000 1.116 228 I HN 0.164 nan 8.210 nan 0.000 0.443 229 R N 1.889 122.439 120.500 0.083 0.000 2.140 229 R HA -0.192 4.148 4.340 -0.000 0.000 0.250 229 R C -0.655 175.661 176.300 0.027 0.000 1.150 229 R CA 2.391 58.516 56.100 0.041 0.000 0.966 229 R CB -1.401 28.910 30.300 0.018 0.000 0.869 229 R HN 0.324 nan 8.270 nan 0.000 0.445 230 P HA -0.127 nan 4.420 nan 0.000 0.226 230 P C 0.771 178.069 177.300 -0.003 0.000 1.153 230 P CA 1.427 64.526 63.100 -0.000 0.000 0.777 230 P CB 0.006 31.694 31.700 -0.020 0.000 0.794 231 M N -1.252 118.354 119.600 0.010 0.000 2.371 231 M HA 0.101 4.581 4.480 -0.000 0.000 0.246 231 M C 0.300 176.601 176.300 0.003 0.000 1.103 231 M CA 0.045 55.346 55.300 0.001 0.000 1.010 231 M CB 0.640 33.248 32.600 0.013 0.000 1.457 231 M HN -0.324 nan 8.290 nan 0.000 0.486 232 V N 1.313 121.237 119.914 0.016 0.000 2.567 232 V HA 0.388 4.508 4.120 -0.000 0.000 0.289 232 V C 0.051 176.162 176.094 0.028 0.000 1.049 232 V CA -0.256 62.056 62.300 0.020 0.000 0.969 232 V CB 1.412 33.250 31.823 0.026 0.000 0.995 232 V HN 0.355 nan 8.190 nan 0.000 0.471 233 R N 1.395 121.922 120.500 0.045 0.000 2.781 233 R HA 0.316 4.656 4.340 -0.000 0.000 0.269 233 R C -1.087 175.290 176.300 0.128 0.000 1.025 233 R CA -0.917 55.230 56.100 0.080 0.000 0.914 233 R CB 1.370 31.710 30.300 0.067 0.000 1.236 233 R HN 0.763 nan 8.270 nan 0.000 0.465 234 D N 0.771 121.271 120.400 0.166 0.000 2.342 234 D HA 0.016 4.656 4.640 -0.000 0.000 0.260 234 D C 0.753 177.224 176.300 0.285 0.000 1.278 234 D CA 0.324 54.440 54.000 0.193 0.000 0.910 234 D CB 1.363 42.272 40.800 0.180 0.000 1.079 234 D HN 0.712 nan 8.370 nan 0.000 0.496 235 G N 3.072 112.047 108.800 0.293 0.000 2.432 235 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 235 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 235 G C 1.607 176.742 174.900 0.392 0.000 1.135 235 G CA 0.389 45.755 45.100 0.443 0.000 0.767 235 G HN 0.501 nan 8.290 nan 0.000 0.550 236 V N -0.322 119.767 119.914 0.291 0.000 2.307 236 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 236 V C 2.244 178.478 176.094 0.234 0.000 1.045 236 V CA 1.693 64.135 62.300 0.236 0.000 1.024 236 V CB -0.675 31.250 31.823 0.170 0.000 0.651 236 V HN 0.500 nan 8.190 nan 0.000 0.449 237 Y N 0.067 120.458 120.300 0.151 0.000 2.242 237 Y HA -0.270 4.280 4.550 -0.000 0.000 0.291 237 Y C 2.242 178.238 175.900 0.159 0.000 1.137 237 Y CA 1.836 60.020 58.100 0.140 0.000 1.181 237 Y CB -0.353 38.169 38.460 0.103 0.000 0.989 237 Y HN 0.260 nan 8.280 nan 0.000 0.527 238 F N 0.088 120.067 119.950 0.049 0.000 2.095 238 F HA -0.285 4.242 4.527 -0.000 0.000 0.298 238 F C 2.226 177.877 175.800 -0.249 0.000 1.104 238 F CA 2.142 60.068 58.000 -0.123 0.000 1.232 238 F CB -0.384 38.522 39.000 -0.157 0.000 0.987 238 F HN 0.216 nan 8.300 nan 0.000 0.475 239 M N -0.749 118.778 119.600 -0.122 0.000 2.200 239 M HA -0.109 4.371 4.480 -0.000 0.000 0.265 239 M C 1.890 178.097 176.300 -0.155 0.000 1.066 239 M CA 1.538 56.720 55.300 -0.196 0.000 1.127 239 M CB -1.121 31.508 32.600 0.048 0.000 1.379 239 M HN 0.378 nan 8.290 nan 0.000 0.420 240 Y N 0.820 121.014 120.300 -0.176 0.000 2.145 240 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 240 Y C 2.114 177.910 175.900 -0.173 0.000 1.145 240 Y CA 2.077 60.111 58.100 -0.109 0.000 1.148 240 Y CB -0.198 38.174 38.460 -0.146 0.000 0.981 240 Y HN 0.250 nan 8.280 nan 0.000 0.507 241 E N 0.238 120.208 120.200 -0.384 0.000 2.038 241 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 241 E C 2.430 178.786 176.600 -0.407 0.000 1.000 241 E CA 1.261 57.386 56.400 -0.458 0.000 0.803 241 E CB -0.733 28.613 29.700 -0.591 0.000 0.750 241 E HN 0.557 nan 8.360 nan 0.000 0.448 242 A N 1.074 123.594 122.820 -0.500 0.000 1.940 242 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 242 A C 2.321 179.705 177.584 -0.334 0.000 1.176 242 A CA 1.182 52.951 52.037 -0.447 0.000 0.631 242 A CB -0.607 18.040 19.000 -0.588 0.000 0.814 242 A HN 0.190 nan 8.150 nan 0.000 0.446 243 L N -2.147 118.874 121.223 -0.337 0.000 2.418 243 L HA -0.017 4.323 4.340 -0.000 0.000 0.218 243 L C 1.602 178.124 176.870 -0.580 0.000 1.125 243 L CA 0.791 55.402 54.840 -0.382 0.000 0.835 243 L CB -0.213 41.645 42.059 -0.336 0.000 0.953 243 L HN 0.486 nan 8.230 nan 0.000 0.454 244 H N -1.498 117.308 119.070 -0.439 0.000 2.755 244 H HA 0.232 4.787 4.556 -0.000 0.000 0.273 244 H C 1.195 176.362 175.328 -0.269 0.000 1.055 244 H CA 0.173 55.983 56.048 -0.397 0.000 1.191 244 H CB 0.477 29.868 29.762 -0.618 0.000 1.536 244 H HN 0.172 nan 8.280 nan 0.000 0.529 245 G N 1.094 109.789 108.800 -0.175 0.000 2.666 245 G HA2 0.211 4.171 3.960 -0.000 0.000 0.207 245 G HA3 0.211 4.171 3.960 -0.000 0.000 0.207 245 G C -1.736 173.093 174.900 -0.118 0.000 1.481 245 G CA -0.984 44.039 45.100 -0.128 0.000 1.071 245 G HN 0.029 nan 8.290 nan 0.000 0.572 246 P HA 0.221 nan 4.420 nan 0.000 0.271 246 P C -2.508 174.732 177.300 -0.099 0.000 1.218 246 P CA -0.897 62.154 63.100 -0.083 0.000 0.780 246 P CB 0.161 31.824 31.700 -0.062 0.000 0.901 247 P HA -0.009 nan 4.420 nan 0.000 0.259 247 P C -0.271 176.978 177.300 -0.085 0.000 1.163 247 P CA 0.916 63.961 63.100 -0.092 0.000 0.760 247 P CB 0.518 32.177 31.700 -0.068 0.000 0.762 248 K N 2.487 122.827 120.400 -0.099 0.000 2.444 248 K HA 0.428 4.748 4.320 -0.000 0.000 0.252 248 K C -0.197 176.363 176.600 -0.067 0.000 0.993 248 K CA -0.968 55.267 56.287 -0.085 0.000 0.847 248 K CB 2.199 34.630 32.500 -0.115 0.000 1.340 248 K HN 0.289 nan 8.250 nan 0.000 0.446 249 K N 1.773 122.147 120.400 -0.043 0.000 2.389 249 K HA 0.334 4.654 4.320 -0.000 0.000 0.261 249 K C -1.060 175.532 176.600 -0.012 0.000 1.014 249 K CA -0.579 55.695 56.287 -0.021 0.000 0.920 249 K CB 1.554 34.054 32.500 0.000 0.000 1.149 249 K HN 0.175 nan 8.250 nan 0.000 0.444 250 V N 4.305 124.210 119.914 -0.015 0.000 2.435 250 V HA 0.372 4.492 4.120 -0.000 0.000 0.290 250 V C -0.610 175.499 176.094 0.025 0.000 1.030 250 V CA -1.012 61.292 62.300 0.007 0.000 0.881 250 V CB 1.388 33.207 31.823 -0.006 0.000 0.983 250 V HN 0.533 nan 8.190 nan 0.000 0.445 251 L N 6.090 127.340 121.223 0.044 0.000 2.341 251 L HA 0.728 5.068 4.340 -0.000 0.000 0.278 251 L C -0.600 176.303 176.870 0.055 0.000 1.005 251 L CA -0.087 54.780 54.840 0.046 0.000 0.818 251 L CB 1.979 44.064 42.059 0.043 0.000 1.259 251 L HN 0.446 nan 8.230 nan 0.000 0.418 252 V N 4.892 124.835 119.914 0.048 0.000 2.350 252 V HA 0.356 4.476 4.120 -0.000 0.000 0.285 252 V C -0.327 175.788 176.094 0.035 0.000 1.014 252 V CA -0.660 61.671 62.300 0.052 0.000 0.831 252 V CB 1.300 33.156 31.823 0.055 0.000 1.000 252 V HN 0.813 nan 8.190 nan 0.000 0.433 253 E N 3.852 124.064 120.200 0.020 0.000 2.052 253 E HA 0.512 4.862 4.350 -0.000 0.000 0.283 253 E C 0.498 177.102 176.600 0.007 0.000 1.071 253 E CA -0.500 55.900 56.400 0.000 0.000 0.851 253 E CB 1.329 31.009 29.700 -0.033 0.000 1.066 253 E HN 0.672 nan 8.360 nan 0.000 0.396 254 G N 2.725 111.538 108.800 0.021 0.000 2.491 254 G HA2 0.328 4.288 3.960 -0.000 0.000 0.238 254 G HA3 0.328 4.288 3.960 -0.000 0.000 0.238 254 G C -0.204 174.710 174.900 0.024 0.000 1.277 254 G CA -0.167 44.953 45.100 0.033 0.000 0.851 254 G HN 0.722 nan 8.290 nan 0.000 0.573 255 A N 2.018 124.859 122.820 0.035 0.000 2.310 255 A HA 0.615 4.935 4.320 -0.000 0.000 0.299 255 A C 0.869 178.484 177.584 0.052 0.000 1.147 255 A CA 0.167 52.228 52.037 0.039 0.000 0.818 255 A CB 0.122 19.151 19.000 0.048 0.000 1.096 255 A HN 1.050 nan 8.150 nan 0.000 0.495 256 N N -0.514 118.218 118.700 0.054 0.000 1.156 256 N HA -0.164 4.576 4.740 -0.000 0.000 0.125 256 N C 0.066 175.620 175.510 0.073 0.000 0.726 256 N CA 2.286 55.378 53.050 0.070 0.000 0.887 256 N CB -0.705 37.835 38.487 0.088 0.000 1.163 256 N HN 1.758 nan 8.380 nan 0.000 0.564 257 A N -1.532 121.343 122.820 0.092 0.000 2.599 257 A HA 0.805 5.125 4.320 -0.000 0.000 0.290 257 A C 0.599 178.237 177.584 0.091 0.000 1.101 257 A CA 0.153 52.242 52.037 0.086 0.000 0.674 257 A CB 0.391 19.436 19.000 0.075 0.000 1.277 257 A HN 0.999 nan 8.150 nan 0.000 0.419 258 A N -0.231 122.633 122.820 0.073 0.000 1.903 258 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 258 A C 1.584 179.217 177.584 0.082 0.000 1.191 258 A CA 2.116 54.190 52.037 0.062 0.000 0.638 258 A CB -0.931 18.083 19.000 0.023 0.000 0.823 258 A HN 0.918 nan 8.150 nan 0.000 0.451 259 L N -0.787 120.422 121.223 -0.024 0.000 2.610 259 L HA 0.073 4.413 4.340 -0.000 0.000 0.232 259 L C 1.174 178.181 176.870 0.227 0.000 1.149 259 L CA 0.163 54.984 54.840 -0.031 0.000 0.872 259 L CB -0.204 41.449 42.059 -0.676 0.000 0.992 259 L HN 0.369 nan 8.230 nan 0.000 0.447 260 L N -1.342 120.011 121.223 0.216 0.000 2.728 260 L HA 0.163 4.503 4.340 -0.000 0.000 0.238 260 L C 0.659 177.634 176.870 0.176 0.000 1.143 260 L CA -0.138 54.845 54.840 0.237 0.000 0.937 260 L CB 0.164 42.348 42.059 0.208 0.000 1.225 260 L HN 0.134 nan 8.230 nan 0.000 0.507 261 D N 1.277 121.785 120.400 0.180 0.000 2.390 261 D HA -0.045 4.595 4.640 -0.000 0.000 0.249 261 D C 1.276 177.645 176.300 0.114 0.000 1.144 261 D CA -0.070 54.020 54.000 0.150 0.000 0.880 261 D CB 1.507 42.445 40.800 0.231 0.000 1.182 261 D HN -0.024 nan 8.370 nan 0.000 0.451 262 I N 3.970 124.559 120.570 0.031 0.000 2.194 262 I HA -0.293 3.877 4.170 -0.000 0.000 0.246 262 I C 1.054 177.129 176.117 -0.071 0.000 1.093 262 I CA 1.836 63.140 61.300 0.007 0.000 1.355 262 I CB -0.330 37.617 38.000 -0.089 0.000 1.046 262 I HN 0.483 nan 8.210 nan 0.000 0.413 263 D N -0.766 119.474 120.400 -0.266 0.000 2.201 263 D HA -0.081 4.559 4.640 -0.000 0.000 0.209 263 D C 1.663 177.634 176.300 -0.547 0.000 0.961 263 D CA 1.102 54.754 54.000 -0.580 0.000 0.861 263 D CB -0.023 40.122 40.800 -1.092 0.000 0.997 263 D HN 0.312 nan 8.370 nan 0.000 0.486 264 F N 0.380 120.395 119.950 0.108 0.000 2.731 264 F HA 0.342 4.869 4.527 -0.000 0.000 0.298 264 F C 1.657 177.654 175.800 0.327 0.000 1.106 264 F CA -0.342 57.791 58.000 0.221 0.000 1.329 264 F CB -0.383 38.678 39.000 0.101 0.000 1.100 264 F HN -0.166 nan 8.300 nan 0.000 0.592 265 G N 0.048 109.067 108.800 0.365 0.000 2.588 265 G HA2 0.291 4.250 3.960 -0.000 0.000 0.278 265 G HA3 0.291 4.250 3.960 -0.000 0.000 0.278 265 G C 0.220 175.359 174.900 0.398 0.000 1.307 265 G CA -0.204 45.108 45.100 0.353 0.000 1.016 265 G HN 0.162 nan 8.290 nan 0.000 0.503 266 T N -1.683 113.149 114.554 0.464 0.000 4.475 266 T HA 0.143 4.493 4.350 -0.000 0.000 0.254 266 T C 0.154 175.081 174.700 0.380 0.000 1.160 266 T CA -0.476 61.920 62.100 0.494 0.000 1.091 266 T CB -0.840 68.433 68.868 0.674 0.000 1.377 266 T HN 0.336 nan 8.240 nan 0.000 1.057 267 Y N 4.020 124.411 120.300 0.152 0.000 2.805 267 Y HA 0.115 4.665 4.550 -0.000 0.000 0.337 267 Y C -1.093 174.734 175.900 -0.120 0.000 1.252 267 Y CA -1.423 56.681 58.100 0.007 0.000 1.515 267 Y CB 0.855 39.310 38.460 -0.009 0.000 1.305 267 Y HN 0.306 nan 8.280 nan 0.000 0.600 268 P HA -0.010 nan 4.420 nan 0.000 0.249 268 P C -0.631 176.236 177.300 -0.722 0.000 1.229 268 P CA 0.456 62.793 63.100 -1.271 0.000 0.788 268 P CB -0.137 30.837 31.700 -1.210 0.000 1.072 269 F N 2.299 122.184 119.950 -0.108 0.000 2.661 269 F HA 0.211 4.738 4.527 -0.000 0.000 0.356 269 F C 1.162 176.997 175.800 0.059 0.000 1.244 269 F CA -0.636 57.348 58.000 -0.026 0.000 1.290 269 F CB -0.586 38.411 39.000 -0.004 0.000 1.677 269 F HN -0.172 nan 8.300 nan 0.000 0.649 270 V N -2.569 117.422 119.914 0.128 0.000 3.226 270 V HA 0.750 4.870 4.120 -0.000 0.000 0.304 270 V C -0.021 176.125 176.094 0.087 0.000 1.336 270 V CA -0.947 61.445 62.300 0.152 0.000 1.066 270 V CB 1.427 33.358 31.823 0.180 0.000 1.087 270 V HN 0.275 nan 8.190 nan 0.000 0.451 271 T N -1.241 113.364 114.554 0.084 0.000 2.771 271 T HA 0.402 4.752 4.350 -0.000 0.000 0.290 271 T C 0.758 175.453 174.700 -0.008 0.000 1.005 271 T CA 0.293 62.420 62.100 0.046 0.000 0.944 271 T CB 1.072 69.971 68.868 0.052 0.000 1.147 271 T HN 0.960 nan 8.240 nan 0.000 0.534 272 S N 0.522 116.182 115.700 -0.067 0.000 2.605 272 S HA 0.281 4.751 4.470 -0.000 0.000 0.217 272 S C 0.543 174.808 174.600 -0.560 0.000 0.958 272 S CA -0.392 57.670 58.200 -0.230 0.000 0.919 272 S CB -0.472 62.636 63.200 -0.154 0.000 0.780 272 S HN 0.922 nan 8.310 nan 0.000 0.507 273 S N 0.723 116.207 115.700 -0.359 0.000 2.599 273 S HA 0.485 4.955 4.470 -0.000 0.000 0.287 273 S C -0.945 173.576 174.600 -0.132 0.000 1.105 273 S CA -1.121 56.864 58.200 -0.358 0.000 0.899 273 S CB 0.710 63.757 63.200 -0.255 0.000 1.100 273 S HN 0.197 nan 8.310 nan 0.000 0.482 274 N N 0.098 118.744 118.700 -0.090 0.000 2.452 274 N HA 0.242 4.982 4.740 -0.000 0.000 0.266 274 N C -0.289 175.243 175.510 0.035 0.000 1.209 274 N CA -0.267 52.783 53.050 -0.001 0.000 0.929 274 N CB 0.298 38.800 38.487 0.024 0.000 1.063 274 N HN 0.604 nan 8.380 nan 0.000 0.472 275 C N 1.387 120.729 119.300 0.069 0.000 2.778 275 C HA 0.155 4.615 4.460 -0.000 0.000 0.294 275 C C 1.114 176.149 174.990 0.075 0.000 1.331 275 C CA -0.368 58.693 59.018 0.071 0.000 1.741 275 C CB -1.899 25.890 27.740 0.082 0.000 2.106 275 C HN 0.776 nan 8.230 nan 0.000 0.603 276 T N -3.331 111.268 114.554 0.074 0.000 2.870 276 T HA 0.380 4.730 4.350 -0.000 0.000 0.277 276 T C 1.147 175.848 174.700 0.001 0.000 1.000 276 T CA -0.288 61.827 62.100 0.025 0.000 0.982 276 T CB 1.046 69.911 68.868 -0.006 0.000 1.249 276 T HN -0.160 nan 8.240 nan 0.000 0.589 277 V N 1.123 120.999 119.914 -0.063 0.000 2.392 277 V HA -0.002 4.118 4.120 -0.000 0.000 0.249 277 V C 2.533 178.611 176.094 -0.027 0.000 1.059 277 V CA 2.844 65.111 62.300 -0.055 0.000 1.051 277 V CB -1.369 30.383 31.823 -0.117 0.000 0.658 277 V HN 1.090 nan 8.190 nan 0.000 0.455 278 G N -0.606 108.181 108.800 -0.021 0.000 2.450 278 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 278 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 278 G C 1.541 176.460 174.900 0.033 0.000 1.130 278 G CA 0.776 45.883 45.100 0.012 0.000 0.760 278 G HN 0.711 nan 8.290 nan 0.000 0.557 279 G N 0.190 109.014 108.800 0.040 0.000 2.470 279 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.220 279 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.220 279 G C 1.656 176.582 174.900 0.044 0.000 1.121 279 G CA 1.010 46.135 45.100 0.042 0.000 0.766 279 G HN 0.342 nan 8.290 nan 0.000 0.553 280 V N 0.386 120.323 119.914 0.038 0.000 2.307 280 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 280 V C 3.002 179.131 176.094 0.058 0.000 1.045 280 V CA 1.716 64.044 62.300 0.046 0.000 1.024 280 V CB -0.680 31.162 31.823 0.033 0.000 0.651 280 V HN 0.486 nan 8.190 nan 0.000 0.449 281 C N 0.726 120.053 119.300 0.046 0.000 2.432 281 C HA -0.150 4.309 4.460 -0.000 0.000 0.277 281 C C 3.161 178.190 174.990 0.065 0.000 1.249 281 C CA 1.840 60.891 59.018 0.054 0.000 1.725 281 C CB -1.304 26.458 27.740 0.037 0.000 2.028 281 C HN 0.759 nan 8.230 nan 0.000 0.477 282 T N -1.474 113.115 114.554 0.057 0.000 3.023 282 T HA 0.056 4.406 4.350 -0.000 0.000 0.266 282 T C 1.733 176.477 174.700 0.073 0.000 1.093 282 T CA 1.659 63.796 62.100 0.061 0.000 1.129 282 T CB -0.405 68.492 68.868 0.048 0.000 0.899 282 T HN 0.523 nan 8.240 nan 0.000 0.491 283 G N 0.725 109.568 108.800 0.072 0.000 2.603 283 G HA2 0.277 4.236 3.960 -0.000 0.000 0.214 283 G HA3 0.277 4.236 3.960 -0.000 0.000 0.214 283 G C 1.311 176.265 174.900 0.089 0.000 1.140 283 G CA 0.095 45.238 45.100 0.071 0.000 0.800 283 G HN 0.537 nan 8.290 nan 0.000 0.533 284 L N -0.759 120.538 121.223 0.123 0.000 2.749 284 L HA 0.340 4.680 4.340 -0.000 0.000 0.242 284 L C 1.679 178.668 176.870 0.199 0.000 1.103 284 L CA 0.378 55.337 54.840 0.199 0.000 0.906 284 L CB 0.486 42.676 42.059 0.218 0.000 1.228 284 L HN 0.246 nan 8.230 nan 0.000 0.517 285 G N 2.436 111.322 108.800 0.143 0.000 2.212 285 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.255 285 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.255 285 G C 0.050 175.030 174.900 0.134 0.000 1.062 285 G CA 0.507 45.686 45.100 0.132 0.000 0.815 285 G HN 0.444 nan 8.290 nan 0.000 0.497 286 I N -2.360 118.282 120.570 0.120 0.000 2.603 286 I HA 0.830 5.000 4.170 -0.000 0.000 0.300 286 I C -2.068 174.102 176.117 0.088 0.000 1.017 286 I CA -3.152 58.219 61.300 0.118 0.000 1.098 286 I CB 2.374 40.435 38.000 0.102 0.000 1.279 286 I HN -0.049 nan 8.210 nan 0.000 0.437 287 P HA 0.278 nan 4.420 nan 0.000 0.276 287 P C -2.235 175.088 177.300 0.039 0.000 1.252 287 P CA -1.382 61.757 63.100 0.065 0.000 0.802 287 P CB 0.440 32.188 31.700 0.080 0.000 1.035 288 P HA -0.206 nan 4.420 nan 0.000 0.216 288 P C 1.467 178.764 177.300 -0.005 0.000 1.150 288 P CA 1.767 64.868 63.100 0.001 0.000 0.843 288 P CB -0.162 31.532 31.700 -0.009 0.000 0.787 289 Q N 0.247 120.049 119.800 0.004 0.000 2.437 289 Q HA -0.109 4.231 4.340 -0.000 0.000 0.210 289 Q C 0.800 176.788 176.000 -0.020 0.000 0.972 289 Q CA 1.256 57.056 55.803 -0.006 0.000 0.903 289 Q CB -1.482 27.259 28.738 0.006 0.000 0.967 289 Q HN 0.376 nan 8.270 nan 0.000 0.486 290 N N 0.207 118.900 118.700 -0.012 0.000 2.314 290 N HA 0.157 4.897 4.740 -0.000 0.000 0.200 290 N C -0.629 174.859 175.510 -0.037 0.000 1.135 290 N CA -0.137 52.890 53.050 -0.038 0.000 0.835 290 N CB 0.465 38.938 38.487 -0.024 0.000 0.989 290 N HN 0.132 nan 8.380 nan 0.000 0.478 291 I N 0.607 121.158 120.570 -0.031 0.000 2.312 291 I HA 0.280 4.450 4.170 -0.000 0.000 0.290 291 I C 1.174 177.261 176.117 -0.050 0.000 1.008 291 I CA -0.141 61.137 61.300 -0.036 0.000 1.226 291 I CB 0.857 38.837 38.000 -0.033 0.000 1.371 291 I HN 0.071 nan 8.210 nan 0.000 0.468 292 G N 6.017 114.781 108.800 -0.061 0.000 2.992 292 G HA2 0.101 4.061 3.960 -0.000 0.000 0.201 292 G HA3 0.101 4.061 3.960 -0.000 0.000 0.201 292 G C -0.066 174.777 174.900 -0.096 0.000 2.057 292 G CA -0.154 44.906 45.100 -0.068 0.000 0.800 292 G HN 0.495 nan 8.290 nan 0.000 0.700 293 D N 0.691 121.002 120.400 -0.149 0.000 2.390 293 D HA 0.352 4.992 4.640 -0.000 0.000 0.249 293 D C -0.534 175.541 176.300 -0.375 0.000 1.144 293 D CA 0.387 54.212 54.000 -0.292 0.000 0.880 293 D CB 2.119 42.635 40.800 -0.474 0.000 1.182 293 D HN -0.098 nan 8.370 nan 0.000 0.451 294 V N 4.192 123.946 119.914 -0.267 0.000 2.349 294 V HA 0.123 4.243 4.120 -0.000 0.000 0.284 294 V C -0.876 175.267 176.094 0.082 0.000 1.014 294 V CA -0.815 61.435 62.300 -0.084 0.000 0.826 294 V CB 0.400 32.251 31.823 0.047 0.000 1.009 294 V HN 0.320 nan 8.190 nan 0.000 0.431 295 Y N 2.242 122.667 120.300 0.208 0.000 2.326 295 Y HA 0.648 5.198 4.550 -0.000 0.000 0.337 295 Y C 0.989 176.866 175.900 -0.038 0.000 1.023 295 Y CA -1.052 57.129 58.100 0.135 0.000 1.143 295 Y CB 1.517 40.081 38.460 0.173 0.000 1.183 295 Y HN 0.633 nan 8.280 nan 0.000 0.485 296 G N 2.580 111.189 108.800 -0.318 0.000 2.327 296 G HA2 0.459 4.419 3.960 -0.000 0.000 0.302 296 G HA3 0.459 4.419 3.960 -0.000 0.000 0.302 296 G C -1.039 173.580 174.900 -0.469 0.000 1.113 296 G CA -0.541 43.890 45.100 -1.114 0.000 0.921 296 G HN 0.473 nan 8.290 nan 0.000 0.425 297 V N 3.558 123.315 119.914 -0.262 0.000 2.368 297 V HA 0.210 4.330 4.120 -0.000 0.000 0.266 297 V C 0.066 176.075 176.094 -0.142 0.000 1.045 297 V CA -0.480 61.734 62.300 -0.144 0.000 0.899 297 V CB 1.041 32.812 31.823 -0.087 0.000 1.006 297 V HN 0.452 nan 8.190 nan 0.000 0.470 298 V N 5.617 125.461 119.914 -0.116 0.000 2.357 298 V HA 0.351 4.471 4.120 -0.000 0.000 0.284 298 V C 0.284 176.358 176.094 -0.035 0.000 1.018 298 V CA -0.909 61.346 62.300 -0.075 0.000 0.841 298 V CB 1.530 33.312 31.823 -0.068 0.000 0.991 298 V HN 0.825 nan 8.190 nan 0.000 0.437 299 K N 3.045 123.409 120.400 -0.060 0.000 2.270 299 K HA 0.432 4.752 4.320 -0.000 0.000 0.276 299 K C 1.293 177.877 176.600 -0.027 0.000 1.023 299 K CA 0.191 56.405 56.287 -0.122 0.000 0.955 299 K CB 1.341 33.662 32.500 -0.299 0.000 0.975 299 K HN 0.784 nan 8.250 nan 0.000 0.471 300 A N 3.989 126.855 122.820 0.075 0.000 2.186 300 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 300 A C -0.097 177.774 177.584 0.478 0.000 1.159 300 A CA 1.107 53.365 52.037 0.368 0.000 0.680 300 A CB -0.623 18.662 19.000 0.475 0.000 0.787 300 A HN 0.716 nan 8.150 nan 0.000 0.467 301 Y N -4.744 115.724 120.300 0.281 0.000 2.689 301 Y HA 0.692 5.242 4.550 -0.000 0.000 0.333 301 Y C -0.421 175.648 175.900 0.282 0.000 1.190 301 Y CA -1.363 56.917 58.100 0.300 0.000 1.063 301 Y CB 0.306 38.902 38.460 0.226 0.000 1.294 301 Y HN -0.207 nan 8.280 nan 0.000 0.466 302 T N 1.847 116.684 114.554 0.472 0.000 2.829 302 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 302 T C -0.401 174.629 174.700 0.549 0.000 0.990 302 T CA -0.416 61.955 62.100 0.452 0.000 1.028 302 T CB 1.144 70.407 68.868 0.659 0.000 0.951 302 T HN 0.894 nan 8.240 nan 0.000 0.460 303 T N 0.525 115.274 114.554 0.326 0.000 2.906 303 T HA 0.802 5.151 4.350 -0.000 0.000 0.295 303 T C -0.859 173.858 174.700 0.028 0.000 1.075 303 T CA -1.140 61.112 62.100 0.254 0.000 1.005 303 T CB 2.324 71.305 68.868 0.188 0.000 1.136 303 T HN 0.673 nan 8.240 nan 0.000 0.498 304 R N 0.961 121.371 120.500 -0.151 0.000 2.643 304 R HA 0.627 4.967 4.340 -0.000 0.000 0.269 304 R C -2.177 173.965 176.300 -0.263 0.000 1.037 304 R CA -0.750 55.086 56.100 -0.441 0.000 0.894 304 R CB 2.269 31.805 30.300 -1.272 0.000 1.238 304 R HN 0.603 nan 8.270 nan 0.000 0.459 305 V N 3.673 123.440 119.914 -0.245 0.000 2.398 305 V HA 0.713 4.833 4.120 -0.000 0.000 0.286 305 V C 0.590 176.562 176.094 -0.202 0.000 1.026 305 V CA 0.753 62.968 62.300 -0.142 0.000 0.868 305 V CB 0.887 32.678 31.823 -0.055 0.000 0.982 305 V HN 1.115 nan 8.190 nan 0.000 0.443 306 G N 4.601 113.301 108.800 -0.166 0.000 2.728 306 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.294 306 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.294 306 G C -0.396 174.317 174.900 -0.312 0.000 1.342 306 G CA -0.330 44.648 45.100 -0.203 0.000 0.866 306 G HN 1.317 nan 8.290 nan 0.000 0.534 307 I N -0.840 119.510 120.570 -0.367 0.000 3.004 307 I HA 0.700 4.870 4.170 -0.000 0.000 0.287 307 I C 0.968 176.580 176.117 -0.842 0.000 1.144 307 I CA 0.107 61.138 61.300 -0.447 0.000 1.353 307 I CB 0.988 38.786 38.000 -0.337 0.000 1.417 307 I HN 2.448 nan 8.210 nan 0.000 0.602 308 G N 2.179 110.614 108.800 -0.609 0.000 2.326 308 G HA2 0.414 4.374 3.960 -0.000 0.000 0.413 308 G HA3 0.414 4.374 3.960 -0.000 0.000 0.413 308 G C -0.931 173.867 174.900 -0.172 0.000 1.444 308 G CA -0.489 44.286 45.100 -0.541 0.000 1.002 308 G HN 1.183 nan 8.290 nan 0.000 0.649 309 A N 0.020 122.852 122.820 0.019 0.000 2.511 309 A HA 0.583 4.903 4.320 -0.000 0.000 0.242 309 A C -0.375 177.322 177.584 0.188 0.000 1.069 309 A CA 0.381 52.483 52.037 0.108 0.000 0.763 309 A CB 0.257 19.340 19.000 0.138 0.000 1.001 309 A HN 1.879 nan 8.150 nan 0.000 0.498 310 F N 5.174 125.145 119.950 0.035 0.000 3.050 310 F HA 0.429 4.955 4.527 -0.000 0.000 0.382 310 F C -2.352 173.541 175.800 0.154 0.000 1.246 310 F CA -2.558 55.504 58.000 0.103 0.000 1.217 310 F CB 1.126 40.087 39.000 -0.065 0.000 1.795 310 F HN 0.363 nan 8.300 nan 0.000 0.622 311 P HA -0.205 nan 4.420 nan 0.000 0.217 311 P C 1.432 178.862 177.300 0.216 0.000 1.162 311 P CA 2.621 65.846 63.100 0.207 0.000 0.901 311 P CB 0.117 31.857 31.700 0.067 0.000 0.793 312 T N -4.337 110.415 114.554 0.330 0.000 3.144 312 T HA 0.100 4.450 4.350 -0.000 0.000 0.249 312 T C 0.520 175.121 174.700 -0.165 0.000 1.089 312 T CA -0.397 61.884 62.100 0.300 0.000 0.989 312 T CB -0.736 68.464 68.868 0.553 0.000 0.992 312 T HN 0.139 nan 8.240 nan 0.000 0.540 313 E N 1.761 121.510 120.200 -0.751 0.000 2.502 313 E HA -0.052 4.298 4.350 -0.000 0.000 0.261 313 E C -0.410 175.920 176.600 -0.451 0.000 0.974 313 E CA 0.195 55.969 56.400 -1.043 0.000 0.936 313 E CB 0.347 29.508 29.700 -0.899 0.000 0.926 313 E HN 0.248 nan 8.360 nan 0.000 0.459 314 Q N 4.681 124.218 119.800 -0.439 0.000 2.508 314 Q HA 0.276 4.616 4.340 -0.000 0.000 0.247 314 Q C -0.541 175.314 176.000 -0.243 0.000 1.047 314 Q CA -0.267 55.333 55.803 -0.339 0.000 0.783 314 Q CB 0.817 29.236 28.738 -0.531 0.000 1.172 314 Q HN 0.570 nan 8.270 nan 0.000 0.515 315 I N 3.227 123.695 120.570 -0.169 0.000 2.213 315 I HA 0.080 4.250 4.170 -0.000 0.000 0.295 315 I C -0.024 176.032 176.117 -0.101 0.000 1.172 315 I CA -0.105 61.124 61.300 -0.118 0.000 1.443 315 I CB -0.625 37.323 38.000 -0.087 0.000 1.491 315 I HN 0.437 nan 8.210 nan 0.000 0.652 316 N N 1.892 120.521 118.700 -0.118 0.000 3.496 316 N HA 0.063 4.803 4.740 -0.000 0.000 0.331 316 N C 0.585 176.029 175.510 -0.110 0.000 1.532 316 N CA -0.759 52.232 53.050 -0.099 0.000 0.863 316 N CB 0.273 38.704 38.487 -0.093 0.000 1.927 316 N HN 0.044 nan 8.380 nan 0.000 0.529 317 E N -0.042 120.100 120.200 -0.096 0.000 2.153 317 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 317 E C 1.287 177.805 176.600 -0.137 0.000 0.988 317 E CA 1.058 57.400 56.400 -0.097 0.000 0.811 317 E CB -0.268 29.389 29.700 -0.072 0.000 0.746 317 E HN 0.560 nan 8.360 nan 0.000 0.466 318 I N 1.997 122.457 120.570 -0.183 0.000 2.202 318 I HA -0.104 4.066 4.170 -0.000 0.000 0.242 318 I C 2.676 178.588 176.117 -0.341 0.000 1.091 318 I CA 1.516 62.644 61.300 -0.288 0.000 1.368 318 I CB -1.776 35.964 38.000 -0.432 0.000 1.058 318 I HN 0.232 nan 8.210 nan 0.000 0.410 319 G N 0.717 109.322 108.800 -0.324 0.000 2.442 319 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.219 319 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.219 319 G C 1.284 176.082 174.900 -0.170 0.000 1.141 319 G CA 0.759 45.698 45.100 -0.268 0.000 0.763 319 G HN 0.320 nan 8.290 nan 0.000 0.554 320 D N 0.096 120.416 120.400 -0.133 0.000 2.117 320 D HA -0.082 4.558 4.640 -0.000 0.000 0.198 320 D C 2.374 178.624 176.300 -0.083 0.000 0.982 320 D CA 0.495 54.447 54.000 -0.080 0.000 0.828 320 D CB -0.319 40.441 40.800 -0.067 0.000 0.967 320 D HN 0.255 nan 8.370 nan 0.000 0.464 321 L N 0.564 121.711 121.223 -0.127 0.000 2.046 321 L HA -0.084 4.255 4.340 -0.000 0.000 0.208 321 L C 2.155 178.922 176.870 -0.172 0.000 1.077 321 L CA 1.328 56.090 54.840 -0.130 0.000 0.747 321 L CB -0.430 41.539 42.059 -0.151 0.000 0.896 321 L HN -0.006 nan 8.230 nan 0.000 0.432 322 L N -1.157 119.905 121.223 -0.268 0.000 2.093 322 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 322 L C 2.618 179.350 176.870 -0.229 0.000 1.085 322 L CA 1.323 55.910 54.840 -0.421 0.000 0.755 322 L CB -0.544 41.149 42.059 -0.610 0.000 0.904 322 L HN 0.427 nan 8.230 nan 0.000 0.435 323 Q N 0.442 120.181 119.800 -0.101 0.000 2.084 323 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 323 Q C 1.855 177.905 176.000 0.082 0.000 0.978 323 Q CA 1.904 57.723 55.803 0.026 0.000 0.844 323 Q CB 0.067 28.836 28.738 0.051 0.000 0.898 323 Q HN 0.606 nan 8.270 nan 0.000 0.426 324 N N -0.664 118.077 118.700 0.068 0.000 2.148 324 N HA -0.061 4.678 4.740 -0.000 0.000 0.186 324 N C 1.770 177.374 175.510 0.157 0.000 1.031 324 N CA 0.571 53.702 53.050 0.135 0.000 0.848 324 N CB 0.026 38.559 38.487 0.078 0.000 1.005 324 N HN 0.084 nan 8.380 nan 0.000 0.427 325 R N 0.200 120.743 120.500 0.072 0.000 2.148 325 R HA -0.021 4.319 4.340 -0.000 0.000 0.227 325 R C 1.905 178.260 176.300 0.091 0.000 1.103 325 R CA 1.069 57.217 56.100 0.080 0.000 0.983 325 R CB -0.113 30.172 30.300 -0.025 0.000 0.874 325 R HN 0.230 nan 8.270 nan 0.000 0.451 326 G N -1.128 107.708 108.800 0.060 0.000 3.088 326 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.217 326 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.217 326 G C -0.559 174.332 174.900 -0.016 0.000 1.159 326 G CA -0.266 44.878 45.100 0.074 0.000 0.760 326 G HN 0.340 nan 8.290 nan 0.000 0.550 327 H N 0.453 119.299 119.070 -0.373 0.000 2.692 327 H HA -0.107 4.449 4.556 -0.000 0.000 0.316 327 H C -0.060 174.585 175.328 -1.140 0.000 1.176 327 H CA 0.526 55.893 56.048 -1.134 0.000 1.142 327 H CB -1.528 27.672 29.762 -0.937 0.000 1.475 327 H HN 0.340 nan 8.280 nan 0.000 0.423 328 E N 0.663 120.631 120.200 -0.387 0.000 1.802 328 E HA 0.200 4.550 4.350 -0.000 0.000 0.265 328 E C 0.200 176.823 176.600 0.039 0.000 1.168 328 E CA -0.002 56.313 56.400 -0.142 0.000 1.033 328 E CB -0.438 29.307 29.700 0.075 0.000 1.095 328 E HN 0.558 nan 8.360 nan 0.000 0.436 329 W N -0.464 120.879 121.300 0.073 0.000 3.213 329 W HA 0.559 5.219 4.660 -0.000 0.000 0.318 329 W C -0.018 176.527 176.519 0.044 0.000 1.248 329 W CA -1.767 55.602 57.345 0.041 0.000 1.187 329 W CB -0.062 29.406 29.460 0.014 0.000 1.403 329 W HN 0.235 nan 8.180 nan 0.000 0.556 330 G N 1.528 110.523 108.800 0.325 0.000 2.272 330 G HA2 0.183 4.143 3.960 -0.000 0.000 0.247 330 G HA3 0.183 4.143 3.960 -0.000 0.000 0.247 330 G C 0.552 175.630 174.900 0.295 0.000 1.272 330 G CA 0.154 45.388 45.100 0.223 0.000 0.921 330 G HN 1.257 nan 8.290 nan 0.000 0.495 331 V N 2.700 122.741 119.914 0.212 0.000 2.380 331 V HA -0.205 3.915 4.120 -0.000 0.000 0.251 331 V C 2.734 178.928 176.094 0.167 0.000 1.063 331 V CA 3.460 65.884 62.300 0.206 0.000 1.055 331 V CB -0.561 31.340 31.823 0.130 0.000 0.657 331 V HN 0.982 nan 8.190 nan 0.000 0.455 332 T N -2.522 112.108 114.554 0.127 0.000 2.898 332 T HA -0.108 4.242 4.350 -0.000 0.000 0.241 332 T C 1.970 176.710 174.700 0.066 0.000 1.024 332 T CA 1.506 63.658 62.100 0.086 0.000 1.174 332 T CB -1.010 67.901 68.868 0.072 0.000 0.873 332 T HN 0.616 nan 8.240 nan 0.000 0.422 333 T N -1.079 113.515 114.554 0.066 0.000 2.995 333 T HA 0.294 4.644 4.350 -0.000 0.000 0.269 333 T C 2.094 176.810 174.700 0.026 0.000 1.091 333 T CA 1.116 63.240 62.100 0.040 0.000 1.128 333 T CB -1.035 67.858 68.868 0.041 0.000 0.891 333 T HN 1.224 nan 8.240 nan 0.000 0.492 334 G N 1.687 110.526 108.800 0.065 0.000 2.184 334 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.264 334 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.264 334 G C 0.223 175.138 174.900 0.025 0.000 0.975 334 G CA 0.072 45.169 45.100 -0.005 0.000 0.642 334 G HN 0.694 nan 8.290 nan 0.000 0.536 335 R N 0.850 121.393 120.500 0.072 0.000 2.522 335 R HA 0.299 4.639 4.340 -0.000 0.000 0.284 335 R C 0.704 177.089 176.300 0.142 0.000 1.032 335 R CA 0.173 56.314 56.100 0.068 0.000 1.049 335 R CB 0.450 30.780 30.300 0.049 0.000 0.956 335 R HN 0.310 nan 8.270 nan 0.000 0.422 336 K N 3.111 123.584 120.400 0.122 0.000 2.355 336 K HA 0.084 4.404 4.320 -0.000 0.000 0.270 336 K C 0.231 176.908 176.600 0.128 0.000 1.003 336 K CA 0.090 56.484 56.287 0.178 0.000 0.957 336 K CB 0.709 33.286 32.500 0.128 0.000 0.939 336 K HN 0.323 nan 8.250 nan 0.000 0.482 337 R N 2.132 122.718 120.500 0.143 0.000 2.486 337 R HA 0.250 4.590 4.340 -0.000 0.000 0.286 337 R C -0.146 176.224 176.300 0.116 0.000 0.999 337 R CA -0.808 55.351 56.100 0.099 0.000 0.993 337 R CB 1.120 31.477 30.300 0.096 0.000 1.084 337 R HN 0.463 nan 8.270 nan 0.000 0.487 338 R N 0.796 121.367 120.500 0.118 0.000 2.491 338 R HA 0.161 4.500 4.340 -0.000 0.000 0.283 338 R C -0.485 176.043 176.300 0.381 0.000 1.072 338 R CA 0.017 56.247 56.100 0.215 0.000 1.048 338 R CB 0.426 30.899 30.300 0.289 0.000 0.983 338 R HN 0.492 nan 8.270 nan 0.000 0.450 339 C N 1.560 121.006 119.300 0.243 0.000 2.561 339 C HA 0.878 5.337 4.460 -0.000 0.000 0.319 339 C C 0.597 175.561 174.990 -0.042 0.000 1.198 339 C CA -0.446 58.711 59.018 0.231 0.000 1.665 339 C CB 1.591 29.377 27.740 0.076 0.000 2.258 339 C HN 0.990 nan 8.230 nan 0.000 0.493 340 G N 0.317 109.175 108.800 0.096 0.000 2.645 340 G HA2 0.615 4.575 3.960 -0.000 0.000 0.292 340 G HA3 0.615 4.575 3.960 -0.000 0.000 0.292 340 G C -1.704 173.267 174.900 0.118 0.000 1.415 340 G CA -0.677 44.316 45.100 -0.178 0.000 0.785 340 G HN 0.726 nan 8.290 nan 0.000 0.483 341 W N -0.634 120.805 121.300 0.231 0.000 2.093 341 W HA 0.479 5.139 4.660 -0.000 0.000 0.352 341 W C 0.751 177.503 176.519 0.389 0.000 1.294 341 W CA -0.606 56.920 57.345 0.302 0.000 1.290 341 W CB 0.690 30.340 29.460 0.315 0.000 1.149 341 W HN 0.397 nan 8.180 nan 0.000 0.606 342 L N 2.938 124.566 121.223 0.675 0.000 2.514 342 L HA -0.016 4.324 4.340 -0.000 0.000 0.280 342 L C -0.139 176.989 176.870 0.431 0.000 1.223 342 L CA 0.897 56.026 54.840 0.482 0.000 0.864 342 L CB 0.025 42.334 42.059 0.417 0.000 1.118 342 L HN 0.289 nan 8.230 nan 0.000 0.494 343 D N 4.276 124.885 120.400 0.348 0.000 2.440 343 D HA 0.157 4.797 4.640 -0.000 0.000 0.252 343 D C 0.764 177.165 176.300 0.169 0.000 1.180 343 D CA -0.288 53.895 54.000 0.304 0.000 0.894 343 D CB 0.829 41.876 40.800 0.411 0.000 1.111 343 D HN 0.636 nan 8.370 nan 0.000 0.544 344 L N 2.667 123.960 121.223 0.118 0.000 2.275 344 L HA -0.102 4.238 4.340 -0.000 0.000 0.215 344 L C 2.232 179.098 176.870 -0.006 0.000 1.119 344 L CA 0.583 55.458 54.840 0.060 0.000 0.790 344 L CB -0.141 41.956 42.059 0.063 0.000 0.919 344 L HN 0.458 nan 8.230 nan 0.000 0.443 345 M N -0.732 118.811 119.600 -0.096 0.000 2.175 345 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 345 M C 2.298 178.559 176.300 -0.066 0.000 1.063 345 M CA 1.748 56.924 55.300 -0.207 0.000 1.119 345 M CB -0.657 31.441 32.600 -0.837 0.000 1.377 345 M HN 0.216 nan 8.290 nan 0.000 0.415 346 I N -0.299 120.231 120.570 -0.067 0.000 2.202 346 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 346 I C 2.152 178.190 176.117 -0.132 0.000 1.091 346 I CA 0.702 61.826 61.300 -0.293 0.000 1.368 346 I CB -0.301 37.527 38.000 -0.287 0.000 1.058 346 I HN 0.151 nan 8.210 nan 0.000 0.410 347 L N 0.533 121.740 121.223 -0.026 0.000 2.012 347 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 347 L C 2.588 179.518 176.870 0.100 0.000 1.073 347 L CA 1.806 56.673 54.840 0.045 0.000 0.748 347 L CB -1.028 41.060 42.059 0.049 0.000 0.891 347 L HN 0.150 nan 8.230 nan 0.000 0.431 348 R N -2.121 118.426 120.500 0.078 0.000 2.081 348 R HA -0.223 4.117 4.340 -0.000 0.000 0.235 348 R C 2.269 178.629 176.300 0.100 0.000 1.131 348 R CA 1.529 57.693 56.100 0.106 0.000 0.960 348 R CB -0.646 29.699 30.300 0.075 0.000 0.856 348 R HN 0.314 nan 8.270 nan 0.000 0.436 349 Y N 1.461 121.722 120.300 -0.065 0.000 2.128 349 Y HA -0.270 4.280 4.550 -0.000 0.000 0.284 349 Y C 2.273 178.085 175.900 -0.147 0.000 1.154 349 Y CA 1.435 59.470 58.100 -0.110 0.000 1.149 349 Y CB -0.543 37.774 38.460 -0.238 0.000 0.976 349 Y HN 0.056 nan 8.280 nan 0.000 0.505 350 A N -0.676 122.062 122.820 -0.137 0.000 1.978 350 A HA -0.274 4.046 4.320 -0.000 0.000 0.220 350 A C 2.317 179.719 177.584 -0.303 0.000 1.170 350 A CA 1.973 53.898 52.037 -0.186 0.000 0.636 350 A CB -1.307 17.771 19.000 0.130 0.000 0.810 350 A HN 0.802 nan 8.150 nan 0.000 0.448 351 H N -1.062 117.872 119.070 -0.226 0.000 2.403 351 H HA 0.035 4.590 4.556 -0.000 0.000 0.298 351 H C 2.037 177.133 175.328 -0.385 0.000 1.059 351 H CA 1.249 57.094 56.048 -0.338 0.000 1.363 351 H CB -0.075 29.687 29.762 -0.001 0.000 1.410 351 H HN 0.459 nan 8.280 nan 0.000 0.528 352 M N 0.169 119.539 119.600 -0.383 0.000 2.108 352 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 352 M C 2.432 178.406 176.300 -0.543 0.000 1.066 352 M CA 1.379 56.426 55.300 -0.422 0.000 1.107 352 M CB -0.115 32.316 32.600 -0.282 0.000 1.356 352 M HN 0.126 nan 8.290 nan 0.000 0.406 353 V N 0.362 119.871 119.914 -0.675 0.000 2.407 353 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 353 V C 1.748 177.457 176.094 -0.643 0.000 1.041 353 V CA 1.516 63.357 62.300 -0.766 0.000 1.040 353 V CB -0.636 30.586 31.823 -1.003 0.000 0.671 353 V HN 0.468 nan 8.190 nan 0.000 0.455 354 N N -0.060 118.206 118.700 -0.723 0.000 2.356 354 N HA 0.102 4.842 4.740 -0.000 0.000 0.178 354 N C 1.474 176.604 175.510 -0.633 0.000 1.075 354 N CA 0.954 53.571 53.050 -0.721 0.000 0.889 354 N CB 0.496 38.357 38.487 -1.044 0.000 0.999 354 N HN 0.513 nan 8.380 nan 0.000 0.464 355 G N 1.723 110.116 108.800 -0.679 0.000 2.350 355 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.298 355 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.298 355 G C -0.153 174.704 174.900 -0.071 0.000 1.037 355 G CA -0.193 44.632 45.100 -0.458 0.000 1.074 355 G HN 0.306 nan 8.290 nan 0.000 0.511 356 F N -0.172 119.969 119.950 0.318 0.000 2.602 356 F HA 0.218 4.745 4.527 -0.000 0.000 0.367 356 F C 2.154 178.061 175.800 0.179 0.000 1.126 356 F CA 0.711 58.837 58.000 0.210 0.000 1.321 356 F CB 0.703 39.799 39.000 0.160 0.000 1.094 356 F HN 0.254 nan 8.300 nan 0.000 0.594 357 T N -0.386 114.353 114.554 0.308 0.000 3.037 357 T HA 0.574 4.924 4.350 -0.000 0.000 0.252 357 T C 0.275 175.113 174.700 0.231 0.000 1.073 357 T CA 0.324 62.544 62.100 0.201 0.000 1.091 357 T CB 0.261 69.194 68.868 0.108 0.000 0.935 357 T HN 0.711 nan 8.240 nan 0.000 0.488 358 A N 0.385 123.389 122.820 0.307 0.000 2.612 358 A HA 0.731 5.051 4.320 -0.000 0.000 0.293 358 A C -1.689 176.006 177.584 0.185 0.000 1.075 358 A CA -1.016 51.187 52.037 0.277 0.000 0.680 358 A CB 0.934 20.142 19.000 0.346 0.000 1.279 358 A HN 0.315 nan 8.150 nan 0.000 0.411 359 L N 0.192 121.444 121.223 0.047 0.000 2.319 359 L HA 0.836 5.176 4.340 -0.000 0.000 0.267 359 L C 0.251 177.130 176.870 0.015 0.000 1.011 359 L CA -0.923 53.895 54.840 -0.036 0.000 0.818 359 L CB 2.210 44.220 42.059 -0.081 0.000 1.316 359 L HN 0.915 nan 8.230 nan 0.000 0.432 360 A N 2.543 125.375 122.820 0.019 0.000 2.431 360 A HA 0.539 4.859 4.320 -0.000 0.000 0.318 360 A C -1.053 176.548 177.584 0.027 0.000 1.330 360 A CA -0.378 51.713 52.037 0.090 0.000 0.804 360 A CB 0.700 19.728 19.000 0.047 0.000 1.135 360 A HN 0.492 nan 8.150 nan 0.000 0.483 361 L N 4.005 125.264 121.223 0.060 0.000 2.283 361 L HA 0.543 4.883 4.340 -0.000 0.000 0.287 361 L C 0.658 177.579 176.870 0.084 0.000 1.073 361 L CA 0.597 55.480 54.840 0.073 0.000 0.822 361 L CB 0.589 42.716 42.059 0.113 0.000 1.186 361 L HN 0.699 nan 8.230 nan 0.000 0.436 362 T N 0.906 115.492 114.554 0.053 0.000 2.952 362 T HA 0.474 4.824 4.350 -0.000 0.000 0.286 362 T C 0.232 174.976 174.700 0.073 0.000 1.024 362 T CA -0.736 61.389 62.100 0.041 0.000 1.029 362 T CB 1.320 70.179 68.868 -0.016 0.000 1.094 362 T HN 0.601 nan 8.240 nan 0.000 0.515 363 K N -0.167 120.283 120.400 0.084 0.000 3.160 363 K HA -0.159 4.161 4.320 -0.000 0.000 0.280 363 K C 0.808 177.551 176.600 0.239 0.000 1.154 363 K CA 0.546 56.923 56.287 0.150 0.000 0.822 363 K CB -1.663 30.935 32.500 0.164 0.000 1.239 363 K HN 0.576 nan 8.250 nan 0.000 0.489 364 L N 2.222 123.577 121.223 0.219 0.000 2.079 364 L HA -0.197 4.142 4.340 -0.000 0.000 0.210 364 L C 2.250 179.314 176.870 0.323 0.000 1.081 364 L CA 2.596 57.608 54.840 0.287 0.000 0.752 364 L CB -0.302 41.880 42.059 0.203 0.000 0.896 364 L HN 0.359 nan 8.230 nan 0.000 0.433 365 D N -0.921 119.614 120.400 0.224 0.000 2.221 365 D HA -0.261 4.379 4.640 -0.000 0.000 0.204 365 D C 2.094 178.478 176.300 0.140 0.000 0.982 365 D CA 1.261 55.377 54.000 0.194 0.000 0.857 365 D CB -0.438 40.431 40.800 0.115 0.000 0.934 365 D HN 0.378 nan 8.370 nan 0.000 0.475 366 I N 1.025 121.677 120.570 0.137 0.000 2.335 366 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 366 I C 2.352 178.443 176.117 -0.044 0.000 1.129 366 I CA 0.870 62.198 61.300 0.047 0.000 1.402 366 I CB -0.296 37.754 38.000 0.084 0.000 1.069 366 I HN 0.052 nan 8.210 nan 0.000 0.424 367 L N -0.464 120.752 121.223 -0.011 0.000 2.591 367 L HA -0.002 4.338 4.340 -0.000 0.000 0.228 367 L C 1.496 178.066 176.870 -0.500 0.000 1.133 367 L CA 0.045 54.744 54.840 -0.235 0.000 0.880 367 L CB -0.618 41.279 42.059 -0.270 0.000 1.033 367 L HN 0.120 nan 8.230 nan 0.000 0.450 368 D N 0.467 120.735 120.400 -0.220 0.000 2.239 368 D HA -0.172 4.467 4.640 -0.000 0.000 0.202 368 D C 2.132 178.209 176.300 -0.372 0.000 0.993 368 D CA 1.128 54.972 54.000 -0.260 0.000 0.874 368 D CB 0.068 40.901 40.800 0.055 0.000 0.922 368 D HN 0.138 nan 8.370 nan 0.000 0.464 369 V N 0.264 120.009 119.914 -0.282 0.000 3.235 369 V HA 0.013 4.132 4.120 -0.000 0.000 0.259 369 V C 1.100 177.050 176.094 -0.240 0.000 1.133 369 V CA 0.212 62.382 62.300 -0.216 0.000 1.128 369 V CB -0.062 31.678 31.823 -0.137 0.000 0.757 369 V HN 0.107 nan 8.190 nan 0.000 0.469 370 L N -0.490 120.538 121.223 -0.326 0.000 2.395 370 L HA 0.228 4.568 4.340 -0.000 0.000 0.269 370 L C 1.496 178.204 176.870 -0.270 0.000 1.133 370 L CA 0.100 54.785 54.840 -0.258 0.000 0.812 370 L CB 1.057 42.981 42.059 -0.225 0.000 1.125 370 L HN 0.001 nan 8.230 nan 0.000 0.452 371 S N 0.249 115.849 115.700 -0.167 0.000 2.406 371 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 371 S C 0.238 174.758 174.600 -0.134 0.000 1.030 371 S CA 0.489 58.608 58.200 -0.135 0.000 0.958 371 S CB 0.018 63.165 63.200 -0.087 0.000 0.811 371 S HN 0.783 nan 8.310 nan 0.000 0.489 372 E N -0.053 120.068 120.200 -0.132 0.000 2.331 372 E HA 0.597 4.947 4.350 -0.000 0.000 0.275 372 E C -1.596 174.893 176.600 -0.186 0.000 0.895 372 E CA -0.762 55.550 56.400 -0.147 0.000 0.753 372 E CB 1.384 31.006 29.700 -0.129 0.000 1.216 372 E HN 0.098 nan 8.360 nan 0.000 0.434 373 I N 1.844 122.265 120.570 -0.248 0.000 2.509 373 I HA 0.386 4.556 4.170 -0.000 0.000 0.293 373 I C -0.215 175.544 176.117 -0.598 0.000 1.020 373 I CA -0.955 60.137 61.300 -0.346 0.000 1.088 373 I CB 1.956 39.857 38.000 -0.166 0.000 1.267 373 I HN 0.350 nan 8.210 nan 0.000 0.430 374 K N 4.468 124.053 120.400 -1.359 0.000 2.123 374 K HA 0.765 5.084 4.320 -0.000 0.000 0.259 374 K C -1.241 175.041 176.600 -0.530 0.000 0.960 374 K CA -0.797 54.790 56.287 -1.167 0.000 0.872 374 K CB 2.548 33.847 32.500 -2.001 0.000 1.079 374 K HN 0.270 nan 8.250 nan 0.000 0.440 375 V N 1.411 121.247 119.914 -0.130 0.000 2.524 375 V HA 0.256 4.376 4.120 -0.000 0.000 0.297 375 V C 0.085 176.304 176.094 0.208 0.000 1.035 375 V CA -1.101 61.266 62.300 0.110 0.000 0.867 375 V CB 1.789 33.570 31.823 -0.071 0.000 1.004 375 V HN 0.960 nan 8.190 nan 0.000 0.426 376 G N 3.734 112.679 108.800 0.241 0.000 2.343 376 G HA2 0.410 4.370 3.960 -0.000 0.000 0.254 376 G HA3 0.410 4.370 3.960 -0.000 0.000 0.254 376 G C 0.752 175.673 174.900 0.034 0.000 1.277 376 G CA -0.055 45.019 45.100 -0.044 0.000 0.909 376 G HN 0.974 nan 8.290 nan 0.000 0.502 377 I N 0.268 120.838 120.570 -0.000 0.000 3.939 377 I HA 0.350 4.520 4.170 -0.000 0.000 0.313 377 I C 0.703 176.808 176.117 -0.019 0.000 1.274 377 I CA 0.082 61.405 61.300 0.038 0.000 1.301 377 I CB 0.289 38.350 38.000 0.102 0.000 1.105 377 I HN 0.475 nan 8.210 nan 0.000 0.427 378 S N -0.793 114.878 115.700 -0.048 0.000 2.611 378 S HA 0.568 5.038 4.470 -0.000 0.000 0.268 378 S C -1.573 173.059 174.600 0.054 0.000 1.156 378 S CA -0.709 57.440 58.200 -0.085 0.000 0.817 378 S CB 1.552 64.736 63.200 -0.028 0.000 1.122 378 S HN 0.119 nan 8.310 nan 0.000 0.466 379 Y N 0.680 120.946 120.300 -0.056 0.000 2.409 379 Y HA 0.689 5.239 4.550 -0.000 0.000 0.339 379 Y C 0.367 176.218 175.900 -0.082 0.000 1.033 379 Y CA -1.448 56.606 58.100 -0.076 0.000 1.094 379 Y CB 1.614 40.013 38.460 -0.102 0.000 1.210 379 Y HN 0.736 nan 8.280 nan 0.000 0.456 380 K N 2.302 122.762 120.400 0.100 0.000 2.207 380 K HA 0.644 4.964 4.320 -0.000 0.000 0.255 380 K C -1.755 174.852 176.600 0.011 0.000 0.941 380 K CA -0.995 55.315 56.287 0.038 0.000 0.825 380 K CB 1.717 34.237 32.500 0.033 0.000 1.119 380 K HN 0.473 nan 8.250 nan 0.000 0.430 381 L N 3.840 125.066 121.223 0.004 0.000 2.404 381 L HA 0.315 4.654 4.340 -0.000 0.000 0.272 381 L C -0.765 176.113 176.870 0.013 0.000 0.980 381 L CA 0.231 55.071 54.840 -0.000 0.000 0.836 381 L CB 0.893 42.950 42.059 -0.003 0.000 1.238 381 L HN 0.835 nan 8.230 nan 0.000 0.408 382 N N 4.214 122.921 118.700 0.012 0.000 2.727 382 N HA -0.244 4.496 4.740 -0.000 0.000 0.249 382 N C 0.974 176.496 175.510 0.019 0.000 1.048 382 N CA 0.613 53.673 53.050 0.017 0.000 0.714 382 N CB -0.815 37.685 38.487 0.021 0.000 0.959 382 N HN 1.216 nan 8.380 nan 0.000 0.544 383 G N -1.312 107.499 108.800 0.019 0.000 2.320 383 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.242 383 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.242 383 G C 0.103 175.017 174.900 0.023 0.000 1.033 383 G CA 0.637 45.750 45.100 0.021 0.000 0.620 383 G HN 0.272 nan 8.290 nan 0.000 0.517 384 K N 0.805 121.219 120.400 0.023 0.000 2.110 384 K HA 0.478 4.798 4.320 -0.000 0.000 0.263 384 K C 0.368 176.979 176.600 0.018 0.000 0.975 384 K CA -0.868 55.433 56.287 0.024 0.000 0.895 384 K CB 1.521 34.039 32.500 0.030 0.000 1.060 384 K HN 0.393 nan 8.250 nan 0.000 0.448 385 R N 3.405 123.915 120.500 0.017 0.000 2.316 385 R HA 0.184 4.523 4.340 -0.000 0.000 0.314 385 R C 0.140 176.431 176.300 -0.014 0.000 1.069 385 R CA -0.217 55.887 56.100 0.007 0.000 0.959 385 R CB -0.024 30.284 30.300 0.012 0.000 0.987 385 R HN 0.603 nan 8.270 nan 0.000 0.446 386 I N 3.414 123.942 120.570 -0.071 0.000 2.392 386 I HA 0.439 4.609 4.170 -0.000 0.000 0.295 386 I C -1.922 174.071 176.117 -0.208 0.000 0.985 386 I CA -2.432 58.755 61.300 -0.188 0.000 1.221 386 I CB 2.012 39.726 38.000 -0.475 0.000 1.366 386 I HN 0.552 nan 8.210 nan 0.000 0.467 387 P HA 0.100 nan 4.420 nan 0.000 0.257 387 P C -0.788 176.554 177.300 0.069 0.000 1.281 387 P CA 0.511 63.615 63.100 0.006 0.000 0.826 387 P CB -0.219 31.539 31.700 0.096 0.000 1.237 388 Y N -2.592 117.751 120.300 0.070 0.000 2.602 388 Y HA 0.664 5.214 4.550 -0.000 0.000 0.342 388 Y C -0.945 175.033 175.900 0.131 0.000 1.029 388 Y CA -2.491 55.676 58.100 0.112 0.000 1.080 388 Y CB 0.396 38.921 38.460 0.109 0.000 1.284 388 Y HN -0.294 nan 8.280 nan 0.000 0.485 389 F N 3.972 123.998 119.950 0.126 0.000 2.390 389 F HA 0.603 5.130 4.527 -0.000 0.000 0.361 389 F C -2.468 173.388 175.800 0.095 0.000 1.124 389 F CA -3.062 54.922 58.000 -0.027 0.000 1.149 389 F CB 0.767 39.535 39.000 -0.388 0.000 1.160 389 F HN 0.326 nan 8.300 nan 0.000 0.501 390 P HA 0.045 nan 4.420 nan 0.000 0.262 390 P C -0.186 177.008 177.300 -0.178 0.000 1.182 390 P CA 0.356 63.395 63.100 -0.102 0.000 0.761 390 P CB 1.011 32.618 31.700 -0.155 0.000 0.795 391 A N 3.820 126.657 122.820 0.029 0.000 1.874 391 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 391 A C 1.187 178.819 177.584 0.081 0.000 1.189 391 A CA 0.849 52.934 52.037 0.080 0.000 0.615 391 A CB -0.572 18.484 19.000 0.092 0.000 0.830 391 A HN 0.658 nan 8.150 nan 0.000 0.443 392 N N -0.137 118.598 118.700 0.058 0.000 2.529 392 N HA 0.026 4.766 4.740 -0.000 0.000 0.278 392 N C 0.436 175.985 175.510 0.065 0.000 1.146 392 N CA -0.244 52.848 53.050 0.070 0.000 0.980 392 N CB 0.802 39.322 38.487 0.055 0.000 1.124 392 N HN 0.240 nan 8.380 nan 0.000 0.458 393 Q N 2.306 122.167 119.800 0.102 0.000 2.020 393 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 393 Q C 1.124 177.174 176.000 0.083 0.000 0.982 393 Q CA 1.824 57.705 55.803 0.131 0.000 0.838 393 Q CB -0.238 28.618 28.738 0.196 0.000 0.899 393 Q HN 0.657 nan 8.270 nan 0.000 0.423 394 E N 0.338 120.578 120.200 0.068 0.000 2.114 394 E HA -0.168 4.182 4.350 -0.000 0.000 0.199 394 E C 1.923 178.538 176.600 0.024 0.000 1.008 394 E CA 0.891 57.319 56.400 0.046 0.000 0.810 394 E CB -0.236 29.489 29.700 0.041 0.000 0.739 394 E HN 0.256 nan 8.360 nan 0.000 0.456 395 I N -0.078 120.502 120.570 0.018 0.000 2.233 395 I HA -0.160 4.010 4.170 -0.000 0.000 0.243 395 I C 2.256 178.343 176.117 -0.050 0.000 1.093 395 I CA 0.710 62.008 61.300 -0.003 0.000 1.380 395 I CB -1.008 37.002 38.000 0.017 0.000 1.067 395 I HN 0.183 nan 8.210 nan 0.000 0.413 396 L N 0.802 121.983 121.223 -0.070 0.000 2.127 396 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 396 L C 2.424 179.235 176.870 -0.098 0.000 1.089 396 L CA 1.724 56.478 54.840 -0.144 0.000 0.757 396 L CB -0.694 41.292 42.059 -0.120 0.000 0.899 396 L HN 0.223 nan 8.230 nan 0.000 0.434 397 Q N -0.638 119.147 119.800 -0.025 0.000 2.297 397 Q HA -0.122 4.218 4.340 -0.000 0.000 0.204 397 Q C 1.854 177.836 176.000 -0.031 0.000 0.962 397 Q CA 1.350 57.150 55.803 -0.005 0.000 0.879 397 Q CB 0.078 28.832 28.738 0.027 0.000 0.947 397 Q HN 0.466 nan 8.270 nan 0.000 0.462 398 K N -0.365 120.007 120.400 -0.046 0.000 2.379 398 K HA 0.100 4.420 4.320 -0.000 0.000 0.194 398 K C 0.290 176.846 176.600 -0.073 0.000 1.031 398 K CA 0.390 56.652 56.287 -0.042 0.000 1.037 398 K CB 0.506 32.993 32.500 -0.021 0.000 0.824 398 K HN 0.185 nan 8.250 nan 0.000 0.516 399 V N 0.546 120.373 119.914 -0.145 0.000 2.872 399 V HA 0.060 4.180 4.120 -0.000 0.000 0.307 399 V C -0.091 175.912 176.094 -0.152 0.000 1.072 399 V CA -0.420 61.763 62.300 -0.196 0.000 1.148 399 V CB 0.932 32.480 31.823 -0.458 0.000 0.954 399 V HN 0.151 nan 8.190 nan 0.000 0.490 400 E N 2.940 123.090 120.200 -0.083 0.000 2.151 400 E HA 0.521 4.871 4.350 -0.000 0.000 0.275 400 E C -1.114 175.478 176.600 -0.013 0.000 0.936 400 E CA -0.808 55.577 56.400 -0.026 0.000 0.777 400 E CB 1.936 31.641 29.700 0.008 0.000 1.108 400 E HN 0.762 nan 8.360 nan 0.000 0.401 401 V N 4.119 124.019 119.914 -0.024 0.000 2.546 401 V HA 0.154 4.274 4.120 -0.000 0.000 0.284 401 V C 0.182 176.176 176.094 -0.166 0.000 1.050 401 V CA -0.268 61.973 62.300 -0.098 0.000 0.981 401 V CB 1.302 32.943 31.823 -0.304 0.000 0.990 401 V HN 0.732 nan 8.190 nan 0.000 0.474 402 E N 3.259 123.367 120.200 -0.153 0.000 2.133 402 E HA 0.428 4.778 4.350 -0.000 0.000 0.274 402 E C -1.572 174.926 176.600 -0.171 0.000 0.930 402 E CA -0.479 55.876 56.400 -0.075 0.000 0.770 402 E CB 0.830 30.534 29.700 0.006 0.000 1.104 402 E HN 0.603 nan 8.360 nan 0.000 0.403 403 Y N 2.164 122.491 120.300 0.045 0.000 2.488 403 Y HA 0.356 4.906 4.550 -0.000 0.000 0.325 403 Y C -0.063 175.821 175.900 -0.026 0.000 1.204 403 Y CA -0.802 57.292 58.100 -0.010 0.000 1.229 403 Y CB 1.593 40.000 38.460 -0.088 0.000 1.274 403 Y HN 0.518 nan 8.280 nan 0.000 0.493 404 E N 0.374 120.644 120.200 0.118 0.000 2.279 404 E HA 0.330 4.679 4.350 -0.000 0.000 0.252 404 E C -1.531 174.998 176.600 -0.119 0.000 0.894 404 E CA -0.509 55.906 56.400 0.026 0.000 0.785 404 E CB 0.862 30.613 29.700 0.085 0.000 1.237 404 E HN 0.535 nan 8.360 nan 0.000 0.418 405 T N 5.167 119.653 114.554 -0.115 0.000 2.794 405 T HA 0.373 4.723 4.350 -0.000 0.000 0.296 405 T C -0.112 174.491 174.700 -0.162 0.000 0.949 405 T CA -0.201 61.784 62.100 -0.192 0.000 1.101 405 T CB 0.121 68.893 68.868 -0.159 0.000 0.905 405 T HN 0.377 nan 8.240 nan 0.000 0.516 406 L N 5.825 126.933 121.223 -0.192 0.000 2.342 406 L HA 0.533 4.873 4.340 -0.000 0.000 0.271 406 L C -2.111 174.720 176.870 -0.065 0.000 1.008 406 L CA -2.694 52.079 54.840 -0.111 0.000 0.818 406 L CB 2.068 44.056 42.059 -0.118 0.000 1.296 406 L HN 0.365 nan 8.230 nan 0.000 0.427 407 P HA 0.128 nan 4.420 nan 0.000 0.275 407 P C -0.320 176.996 177.300 0.026 0.000 1.227 407 P CA -0.099 62.999 63.100 -0.004 0.000 0.781 407 P CB 1.258 32.975 31.700 0.027 0.000 0.906 408 G N 1.075 109.831 108.800 -0.072 0.000 2.528 408 G HA2 0.296 4.255 3.960 -0.000 0.000 0.289 408 G HA3 0.296 4.255 3.960 -0.000 0.000 0.289 408 G C 0.200 175.096 174.900 -0.005 0.000 1.192 408 G CA -0.898 44.077 45.100 -0.210 0.000 0.921 408 G HN 0.684 nan 8.290 nan 0.000 0.512 409 W N -1.682 119.581 121.300 -0.062 0.000 2.942 409 W HA 0.348 5.008 4.660 -0.000 0.000 0.263 409 W C 0.844 177.337 176.519 -0.045 0.000 1.296 409 W CA -0.508 56.807 57.345 -0.051 0.000 1.504 409 W CB -0.011 29.415 29.460 -0.057 0.000 1.096 409 W HN 0.435 nan 8.180 nan 0.000 0.639 410 K N 1.104 121.367 120.400 -0.228 0.000 3.278 410 K HA -0.043 4.277 4.320 -0.000 0.000 0.270 410 K C -0.171 176.419 176.600 -0.016 0.000 0.955 410 K CA 0.642 56.837 56.287 -0.155 0.000 0.723 410 K CB -1.859 30.587 32.500 -0.091 0.000 1.382 410 K HN 0.428 nan 8.250 nan 0.000 0.461 411 A N 0.656 123.517 122.820 0.068 0.000 2.612 411 A HA 0.415 4.735 4.320 -0.000 0.000 0.293 411 A C -1.474 176.219 177.584 0.183 0.000 1.075 411 A CA -0.878 51.242 52.037 0.138 0.000 0.680 411 A CB 1.490 20.595 19.000 0.175 0.000 1.279 411 A HN 0.187 nan 8.150 nan 0.000 0.411 412 D N 1.390 121.855 120.400 0.109 0.000 2.339 412 D HA 0.343 4.983 4.640 -0.000 0.000 0.256 412 D C 1.294 177.655 176.300 0.102 0.000 1.214 412 D CA 0.885 54.942 54.000 0.096 0.000 0.877 412 D CB 0.987 41.818 40.800 0.051 0.000 1.111 412 D HN 0.557 nan 8.370 nan 0.000 0.478 413 T N -0.998 113.633 114.554 0.127 0.000 3.054 413 T HA -0.040 4.310 4.350 -0.000 0.000 0.255 413 T C 1.700 176.428 174.700 0.046 0.000 1.035 413 T CA 0.475 62.616 62.100 0.069 0.000 0.941 413 T CB -0.292 68.609 68.868 0.056 0.000 1.026 413 T HN 0.384 nan 8.240 nan 0.000 0.533 414 T N -0.301 114.284 114.554 0.053 0.000 2.822 414 T HA -0.038 4.312 4.350 -0.000 0.000 0.270 414 T C 2.108 176.822 174.700 0.023 0.000 1.064 414 T CA 1.373 63.495 62.100 0.036 0.000 1.131 414 T CB -1.005 67.880 68.868 0.029 0.000 0.858 414 T HN 0.478 nan 8.240 nan 0.000 0.483 415 G N 0.961 109.773 108.800 0.020 0.000 2.777 415 G HA2 0.476 4.436 3.960 -0.000 0.000 0.211 415 G HA3 0.476 4.436 3.960 -0.000 0.000 0.211 415 G C 0.641 175.547 174.900 0.009 0.000 1.149 415 G CA 0.039 45.147 45.100 0.013 0.000 0.785 415 G HN 0.874 nan 8.290 nan 0.000 0.536 416 A N 0.369 123.191 122.820 0.004 0.000 2.531 416 A HA 0.513 4.833 4.320 -0.000 0.000 0.236 416 A C 1.155 178.746 177.584 0.012 0.000 1.062 416 A CA 0.138 52.172 52.037 -0.005 0.000 0.760 416 A CB 0.359 19.341 19.000 -0.030 0.000 0.995 416 A HN 0.218 nan 8.150 nan 0.000 0.501 417 R N 0.399 120.910 120.500 0.018 0.000 2.539 417 R HA 0.154 4.494 4.340 -0.000 0.000 0.342 417 R C -0.488 175.841 176.300 0.049 0.000 0.941 417 R CA 0.389 56.508 56.100 0.033 0.000 1.146 417 R CB 0.165 30.482 30.300 0.027 0.000 1.541 417 R HN 0.929 nan 8.270 nan 0.000 0.525 418 K N -2.125 118.306 120.400 0.053 0.000 2.575 418 K HA 0.141 4.461 4.320 -0.000 0.000 0.279 418 K C 0.237 176.913 176.600 0.125 0.000 0.969 418 K CA -0.941 55.402 56.287 0.093 0.000 0.868 418 K CB 0.481 33.028 32.500 0.078 0.000 1.457 418 K HN -0.136 nan 8.250 nan 0.000 0.426 419 W N 1.717 123.004 121.300 -0.022 0.000 2.321 419 W HA -0.224 4.436 4.660 -0.000 0.000 0.306 419 W C 0.564 177.066 176.519 -0.029 0.000 1.217 419 W CA 2.477 59.805 57.345 -0.028 0.000 1.257 419 W CB 0.150 29.599 29.460 -0.019 0.000 1.145 419 W HN 0.861 nan 8.180 nan 0.000 0.509 420 E N 0.453 120.672 120.200 0.031 0.000 2.265 420 E HA -0.182 4.167 4.350 -0.000 0.000 0.196 420 E C 1.493 178.010 176.600 -0.139 0.000 0.996 420 E CA 1.550 57.900 56.400 -0.084 0.000 0.832 420 E CB -0.545 29.167 29.700 0.020 0.000 0.756 420 E HN 0.220 nan 8.360 nan 0.000 0.491 421 D N -0.089 120.246 120.400 -0.108 0.000 2.194 421 D HA -0.029 4.611 4.640 -0.000 0.000 0.204 421 D C 0.455 176.652 176.300 -0.171 0.000 0.964 421 D CA 0.334 54.272 54.000 -0.102 0.000 0.846 421 D CB 0.029 40.797 40.800 -0.052 0.000 0.962 421 D HN 0.191 nan 8.370 nan 0.000 0.490 422 L N 2.971 124.029 121.223 -0.276 0.000 2.456 422 L HA 0.124 4.464 4.340 -0.000 0.000 0.272 422 L C -1.849 174.788 176.870 -0.388 0.000 1.189 422 L CA -1.321 53.294 54.840 -0.375 0.000 0.846 422 L CB 0.146 41.888 42.059 -0.529 0.000 1.111 422 L HN -0.097 nan 8.230 nan 0.000 0.475 423 P HA 0.132 nan 4.420 nan 0.000 0.274 423 P C -2.207 174.938 177.300 -0.258 0.000 1.237 423 P CA -1.589 61.382 63.100 -0.216 0.000 0.793 423 P CB 0.395 32.044 31.700 -0.084 0.000 0.977 424 P HA -0.217 nan 4.420 nan 0.000 0.216 424 P C 1.240 178.503 177.300 -0.063 0.000 1.154 424 P CA 1.912 64.946 63.100 -0.110 0.000 0.865 424 P CB 0.000 31.678 31.700 -0.037 0.000 0.789 425 Q N -0.503 119.310 119.800 0.021 0.000 2.297 425 Q HA 0.064 4.404 4.340 -0.000 0.000 0.204 425 Q C 2.354 178.385 176.000 0.053 0.000 0.962 425 Q CA 1.574 57.465 55.803 0.147 0.000 0.879 425 Q CB -0.968 27.960 28.738 0.316 0.000 0.947 425 Q HN 0.281 nan 8.270 nan 0.000 0.462 426 A N 0.317 122.898 122.820 -0.399 0.000 1.930 426 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 426 A C 1.919 179.212 177.584 -0.486 0.000 1.176 426 A CA 0.863 52.250 52.037 -1.083 0.000 0.632 426 A CB -0.193 17.840 19.000 -1.613 0.000 0.819 426 A HN 0.305 nan 8.150 nan 0.000 0.445 427 Q N -0.150 119.396 119.800 -0.423 0.000 2.124 427 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 427 Q C 2.333 178.384 176.000 0.084 0.000 0.977 427 Q CA 1.670 57.251 55.803 -0.370 0.000 0.850 427 Q CB -0.188 28.174 28.738 -0.626 0.000 0.901 427 Q HN 0.618 nan 8.270 nan 0.000 0.429 428 S N 0.096 115.842 115.700 0.075 0.000 2.383 428 S HA -0.158 4.312 4.470 -0.000 0.000 0.227 428 S C 1.577 176.332 174.600 0.260 0.000 1.026 428 S CA 0.851 59.164 58.200 0.189 0.000 0.981 428 S CB -0.322 62.982 63.200 0.172 0.000 0.818 428 S HN 0.400 nan 8.310 nan 0.000 0.472 429 Y N 2.342 122.701 120.300 0.098 0.000 2.181 429 Y HA -0.157 4.393 4.550 -0.000 0.000 0.288 429 Y C 2.210 178.232 175.900 0.203 0.000 1.146 429 Y CA 0.970 59.162 58.100 0.153 0.000 1.164 429 Y CB -0.510 38.037 38.460 0.144 0.000 0.982 429 Y HN 0.025 nan 8.280 nan 0.000 0.515 430 V N 0.655 120.707 119.914 0.231 0.000 2.295 430 V HA -0.312 3.807 4.120 -0.000 0.000 0.246 430 V C 2.382 178.579 176.094 0.172 0.000 1.049 430 V CA 2.277 64.702 62.300 0.209 0.000 1.024 430 V CB -0.587 31.446 31.823 0.349 0.000 0.648 430 V HN 0.333 nan 8.190 nan 0.000 0.447 431 R N -0.958 119.681 120.500 0.232 0.000 2.105 431 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 431 R C 2.259 178.649 176.300 0.149 0.000 1.135 431 R CA 1.917 58.116 56.100 0.166 0.000 0.967 431 R CB -0.628 29.787 30.300 0.192 0.000 0.861 431 R HN 0.502 nan 8.270 nan 0.000 0.442 432 F N 1.241 121.216 119.950 0.041 0.000 2.126 432 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 432 F C 2.164 177.979 175.800 0.026 0.000 1.096 432 F CA 1.374 59.396 58.000 0.036 0.000 1.255 432 F CB -0.082 38.844 39.000 -0.122 0.000 0.997 432 F HN -0.263 nan 8.300 nan 0.000 0.479 433 V N 0.263 120.237 119.914 0.100 0.000 2.307 433 V HA -0.274 3.846 4.120 -0.000 0.000 0.245 433 V C 2.186 178.284 176.094 0.006 0.000 1.045 433 V CA 2.243 64.559 62.300 0.027 0.000 1.024 433 V CB -0.702 31.111 31.823 -0.016 0.000 0.651 433 V HN 0.326 nan 8.190 nan 0.000 0.449 434 E N 0.490 120.693 120.200 0.004 0.000 2.023 434 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 434 E C 2.142 178.705 176.600 -0.061 0.000 1.003 434 E CA 1.620 58.001 56.400 -0.031 0.000 0.809 434 E CB -0.333 29.348 29.700 -0.033 0.000 0.755 434 E HN 0.575 nan 8.360 nan 0.000 0.449 435 N N 0.690 119.349 118.700 -0.068 0.000 2.036 435 N HA -0.165 4.575 4.740 -0.000 0.000 0.195 435 N C 1.706 177.069 175.510 -0.245 0.000 1.037 435 N CA 1.448 54.401 53.050 -0.162 0.000 0.855 435 N CB -0.668 37.692 38.487 -0.212 0.000 1.033 435 N HN 0.317 nan 8.380 nan 0.000 0.423 436 H N -0.652 118.251 119.070 -0.279 0.000 2.546 436 H HA 0.214 4.770 4.556 -0.000 0.000 0.277 436 H C 1.645 176.894 175.328 -0.132 0.000 1.004 436 H CA 0.613 56.516 56.048 -0.242 0.000 1.231 436 H CB 0.078 29.631 29.762 -0.348 0.000 1.382 436 H HN 0.191 nan 8.280 nan 0.000 0.580 437 M N -1.511 118.076 119.600 -0.021 0.000 2.514 437 M HA 0.180 4.660 4.480 -0.000 0.000 0.258 437 M C 1.043 177.288 176.300 -0.093 0.000 1.159 437 M CA 0.662 55.938 55.300 -0.040 0.000 1.116 437 M CB 0.982 33.546 32.600 -0.060 0.000 1.333 437 M HN 0.474 nan 8.290 nan 0.000 0.487 438 G N 1.514 110.256 108.800 -0.096 0.000 2.153 438 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.252 438 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.252 438 G C -0.216 174.612 174.900 -0.120 0.000 0.994 438 G CA 0.175 45.222 45.100 -0.088 0.000 0.698 438 G HN 0.362 nan 8.290 nan 0.000 0.521 439 V N 0.253 120.073 119.914 -0.156 0.000 2.525 439 V HA 0.794 4.914 4.120 -0.000 0.000 0.299 439 V C 0.708 176.762 176.094 -0.067 0.000 1.034 439 V CA -0.708 61.507 62.300 -0.142 0.000 0.863 439 V CB 1.489 33.163 31.823 -0.249 0.000 0.999 439 V HN 1.193 nan 8.190 nan 0.000 0.423 440 A N 4.331 127.134 122.820 -0.028 0.000 2.483 440 A HA 0.499 4.819 4.320 -0.000 0.000 0.238 440 A C -0.027 177.615 177.584 0.097 0.000 1.070 440 A CA 0.014 52.061 52.037 0.016 0.000 0.770 440 A CB 0.345 19.324 19.000 -0.036 0.000 1.008 440 A HN 0.766 nan 8.150 nan 0.000 0.497 441 V N 3.467 123.430 119.914 0.081 0.000 2.383 441 V HA 0.177 4.297 4.120 -0.000 0.000 0.275 441 V C 1.285 177.337 176.094 -0.070 0.000 1.036 441 V CA -0.089 62.221 62.300 0.017 0.000 0.889 441 V CB 1.141 32.974 31.823 0.016 0.000 0.985 441 V HN 1.107 nan 8.190 nan 0.000 0.459 442 K N 3.909 124.088 120.400 -0.370 0.000 2.308 442 K HA 0.108 4.428 4.320 -0.000 0.000 0.197 442 K C -0.236 175.748 176.600 -1.028 0.000 1.049 442 K CA 0.421 56.025 56.287 -1.139 0.000 0.991 442 K CB 0.499 32.042 32.500 -1.594 0.000 0.836 442 K HN 0.584 nan 8.250 nan 0.000 0.500 443 W N 0.806 121.933 121.300 -0.289 0.000 2.915 443 W HA 0.380 5.040 4.660 -0.000 0.000 0.337 443 W C -1.209 175.252 176.519 -0.096 0.000 1.102 443 W CA -0.835 56.390 57.345 -0.199 0.000 1.224 443 W CB 1.702 31.026 29.460 -0.228 0.000 1.416 443 W HN -0.448 nan 8.180 nan 0.000 0.503 444 V N 1.878 121.906 119.914 0.189 0.000 2.443 444 V HA 0.520 4.640 4.120 -0.000 0.000 0.293 444 V C 0.383 176.547 176.094 0.116 0.000 1.021 444 V CA -0.730 61.655 62.300 0.143 0.000 0.848 444 V CB 1.407 33.317 31.823 0.145 0.000 0.998 444 V HN 0.625 nan 8.190 nan 0.000 0.424 445 G N 2.652 111.506 108.800 0.090 0.000 2.320 445 G HA2 0.489 4.448 3.960 -0.000 0.000 0.300 445 G HA3 0.489 4.448 3.960 -0.000 0.000 0.300 445 G C 0.290 175.229 174.900 0.064 0.000 1.126 445 G CA -0.112 45.022 45.100 0.056 0.000 0.896 445 G HN 1.070 nan 8.290 nan 0.000 0.436 446 V N 0.607 120.551 119.914 0.050 0.000 2.988 446 V HA 0.771 4.891 4.120 -0.000 0.000 0.356 446 V C 0.659 176.775 176.094 0.037 0.000 1.380 446 V CA 0.114 62.447 62.300 0.054 0.000 1.184 446 V CB -0.382 31.468 31.823 0.045 0.000 1.204 446 V HN 1.271 nan 8.190 nan 0.000 0.530 447 G N 0.105 108.917 108.800 0.020 0.000 2.313 447 G HA2 0.246 4.206 3.960 -0.000 0.000 0.296 447 G HA3 0.246 4.206 3.960 -0.000 0.000 0.296 447 G C -0.355 174.534 174.900 -0.020 0.000 1.356 447 G CA -0.175 44.923 45.100 -0.002 0.000 0.833 447 G HN -0.002 nan 8.290 nan 0.000 0.552 448 K N -0.230 120.149 120.400 -0.035 0.000 2.076 448 K HA 0.106 4.426 4.320 -0.000 0.000 0.204 448 K C 1.844 178.428 176.600 -0.027 0.000 1.051 448 K CA 1.152 57.415 56.287 -0.040 0.000 0.949 448 K CB -0.185 32.282 32.500 -0.055 0.000 0.726 448 K HN 0.656 nan 8.250 nan 0.000 0.443 449 S N 1.730 117.418 115.700 -0.020 0.000 2.563 449 S HA -0.023 4.446 4.470 -0.000 0.000 0.284 449 S C 1.020 175.609 174.600 -0.017 0.000 1.331 449 S CA -0.333 57.858 58.200 -0.014 0.000 1.047 449 S CB 1.229 64.425 63.200 -0.008 0.000 0.859 449 S HN 0.388 nan 8.310 nan 0.000 0.514 450 R N 1.215 121.705 120.500 -0.017 0.000 2.200 450 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 450 R C 1.200 177.488 176.300 -0.019 0.000 1.127 450 R CA 1.752 57.835 56.100 -0.029 0.000 0.989 450 R CB -0.477 29.808 30.300 -0.025 0.000 0.869 450 R HN 0.670 nan 8.270 nan 0.000 0.459 451 E N 0.909 121.105 120.200 -0.005 0.000 2.208 451 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 451 E C 0.672 177.278 176.600 0.011 0.000 0.988 451 E CA 1.163 57.566 56.400 0.006 0.000 0.828 451 E CB 0.197 29.902 29.700 0.008 0.000 0.763 451 E HN 0.261 nan 8.360 nan 0.000 0.478 452 S N 0.626 116.329 115.700 0.005 0.000 3.033 452 S HA 0.134 4.604 4.470 -0.000 0.000 0.258 452 S C -0.013 174.598 174.600 0.017 0.000 1.207 452 S CA 0.003 58.210 58.200 0.011 0.000 1.248 452 S CB -0.454 62.750 63.200 0.006 0.000 0.932 452 S HN 0.106 nan 8.310 nan 0.000 0.472 453 M N 1.792 121.408 119.600 0.027 0.000 2.327 453 M HA 0.537 5.017 4.480 -0.000 0.000 0.298 453 M C -1.651 174.711 176.300 0.103 0.000 1.065 453 M CA -0.513 54.818 55.300 0.052 0.000 0.916 453 M CB 1.130 33.729 32.600 -0.001 0.000 1.630 453 M HN 0.082 nan 8.290 nan 0.000 0.442 454 I N 3.435 124.085 120.570 0.134 0.000 2.354 454 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 454 I C -0.452 175.745 176.117 0.133 0.000 0.989 454 I CA -0.653 60.723 61.300 0.126 0.000 1.188 454 I CB 1.750 39.821 38.000 0.117 0.000 1.342 454 I HN 0.616 nan 8.210 nan 0.000 0.457 455 Q N 5.741 125.577 119.800 0.060 0.000 2.331 455 Q HA 0.377 4.717 4.340 -0.000 0.000 0.257 455 Q C 0.201 176.072 176.000 -0.216 0.000 0.957 455 Q CA -0.468 55.224 55.803 -0.185 0.000 0.923 455 Q CB 1.367 30.010 28.738 -0.159 0.000 1.212 455 Q HN 0.757 nan 8.270 nan 0.000 0.443 456 L N 4.726 125.744 121.223 -0.341 0.000 2.418 456 L HA 0.177 4.517 4.340 -0.000 0.000 0.218 456 L C 0.125 176.928 176.870 -0.112 0.000 1.125 456 L CA 0.317 55.033 54.840 -0.206 0.000 0.835 456 L CB -0.276 41.664 42.059 -0.199 0.000 0.953 456 L HN 0.576 nan 8.230 nan 0.000 0.454 457 F N 0.000 119.771 119.950 -0.298 0.000 2.286 457 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 457 F CA 0.000 57.853 58.000 -0.245 0.000 1.383 457 F CB 0.000 38.856 39.000 -0.240 0.000 1.145 457 F HN 0.000 nan 8.300 nan 0.000 0.574