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 3kgf_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNWTVDIPIX XXXXLPPLPT DLRTRLDAAL AKPAAQQPTW PADQALAMRT DATA SEQUENCE VLESVPPVTV PSEIVRLQEQ LAQVAKGEAF LLQGGDCAET FMDNTEPHIR DATA SEQUENCE GNVRALLQMA VVLTYGASMP VVKVARIAGQ YAKPRSADID ALGLRSYRGD DATA SEQUENCE MINGFAPDAA AREHDPSRLV RAYANASAAM NLVRALTSSG LASLHLVHDW DATA SEQUENCE NREFVRTSPA GARYEALATE IDRGLRFMSA CGVADRNLQT AEIYASHEAL DATA SEQUENCE VLDYERAMLR LSDGDDGEPQ LFDLSAHTVW IGERTRQIDG AHIAFAQVIA DATA SEQUENCE NPVGVKLGPN MTPELAVEYV ERLDPHNKPG RLTLVSRMGN HKVRDLLPPI DATA SEQUENCE VEKVQATGHQ VIWQCDPMHG NTHESXXXFK TRHFDRIVDE VQGFFEVHRA DATA SEQUENCE LGTHPGGIHV EITGENVTEC LGGAQDISET DLAGRYETAC DPRLNTQQSL DATA SEQUENCE ELAFLVAEML RD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.340 176.300 0.066 0.000 1.140 1 M CA 0.000 55.331 55.300 0.052 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 N N 1.635 120.372 118.700 0.062 0.000 2.284 2 N HA 0.730 5.470 4.740 -0.000 0.000 0.300 2 N C -1.272 174.316 175.510 0.130 0.000 1.047 2 N CA -0.940 52.141 53.050 0.052 0.000 0.821 2 N CB 1.812 40.283 38.487 -0.028 0.000 1.337 2 N HN 0.572 nan 8.380 nan 0.000 0.482 3 W N 0.918 122.206 121.300 -0.020 0.000 2.183 3 W HA 0.547 5.207 4.660 -0.000 0.000 0.348 3 W C -1.049 175.457 176.519 -0.021 0.000 1.257 3 W CA -0.320 57.013 57.345 -0.021 0.000 1.324 3 W CB -0.141 29.303 29.460 -0.025 0.000 1.144 3 W HN 0.191 nan 8.180 nan 0.000 0.622 4 T N 2.160 116.771 114.554 0.094 0.000 2.937 4 T HA 0.376 4.726 4.350 -0.000 0.000 0.297 4 T C -0.299 174.397 174.700 -0.005 0.000 0.991 4 T CA -0.555 61.513 62.100 -0.053 0.000 0.990 4 T CB 1.543 70.407 68.868 -0.006 0.000 0.991 4 T HN 0.503 nan 8.240 nan 0.000 0.440 5 V N 0.304 120.153 119.914 -0.109 0.000 2.732 5 V HA 0.690 4.810 4.120 -0.000 0.000 0.310 5 V C -0.406 175.663 176.094 -0.041 0.000 1.053 5 V CA -0.935 61.344 62.300 -0.035 0.000 0.957 5 V CB 1.592 33.376 31.823 -0.065 0.000 1.018 5 V HN 0.672 nan 8.190 nan 0.000 0.452 6 D N 2.922 123.316 120.400 -0.010 0.000 2.304 6 D HA 0.417 5.057 4.640 -0.000 0.000 0.250 6 D C 0.006 176.287 176.300 -0.031 0.000 1.107 6 D CA 0.134 54.123 54.000 -0.019 0.000 0.885 6 D CB 1.944 42.742 40.800 -0.003 0.000 1.192 6 D HN 0.580 nan 8.370 nan 0.000 0.436 7 I N 4.258 124.804 120.570 -0.039 0.000 2.363 7 I HA 0.080 4.249 4.170 -0.000 0.000 0.292 7 I C -1.768 174.330 176.117 -0.032 0.000 1.075 7 I CA -1.545 59.728 61.300 -0.044 0.000 1.333 7 I CB 0.406 38.377 38.000 -0.048 0.000 1.415 7 I HN 0.001 nan 8.210 nan 0.000 0.502 8 P HA 0.221 nan 4.420 nan 0.000 0.269 8 P C 0.165 177.452 177.300 -0.022 0.000 1.252 8 P CA 0.060 63.146 63.100 -0.024 0.000 0.780 8 P CB 0.469 32.154 31.700 -0.025 0.000 0.829 16 P HA 0.479 nan 4.420 nan 0.000 0.265 16 P C -2.544 174.756 177.300 -0.000 0.000 1.187 16 P CA -0.465 62.634 63.100 -0.001 0.000 0.766 16 P CB -0.779 30.921 31.700 0.000 0.000 0.820 17 P HA 0.101 nan 4.420 nan 0.000 0.272 17 P C -0.129 177.172 177.300 0.001 0.000 1.240 17 P CA -0.682 62.418 63.100 0.000 0.000 0.791 17 P CB 0.247 31.947 31.700 0.000 0.000 0.978 18 L N 3.052 124.276 121.223 0.002 0.000 2.573 18 L HA 0.062 4.402 4.340 -0.000 0.000 0.290 18 L C -1.854 175.016 176.870 0.001 0.000 1.247 18 L CA -0.861 53.980 54.840 0.002 0.000 0.876 18 L CB -1.365 40.695 42.059 0.001 0.000 1.123 18 L HN 0.381 nan 8.230 nan 0.000 0.505 19 P HA 0.034 nan 4.420 nan 0.000 0.265 19 P C 0.722 178.021 177.300 -0.003 0.000 1.187 19 P CA 0.126 63.225 63.100 -0.001 0.000 0.766 19 P CB 0.303 32.003 31.700 -0.001 0.000 0.820 20 T N 0.638 115.191 114.554 -0.002 0.000 2.720 20 T HA -0.198 4.151 4.350 -0.000 0.000 0.268 20 T C 1.298 175.996 174.700 -0.003 0.000 1.037 20 T CA 1.929 64.028 62.100 -0.002 0.000 1.144 20 T CB -0.701 68.167 68.868 -0.001 0.000 0.864 20 T HN 0.625 nan 8.240 nan 0.000 0.444 21 D N 1.834 122.231 120.400 -0.005 0.000 2.144 21 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 21 D C 2.120 178.413 176.300 -0.012 0.000 0.984 21 D CA 0.869 54.864 54.000 -0.007 0.000 0.834 21 D CB -0.683 40.113 40.800 -0.006 0.000 0.955 21 D HN 0.366 nan 8.370 nan 0.000 0.465 22 L N -0.220 120.994 121.223 -0.015 0.000 2.109 22 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 22 L C 2.847 179.705 176.870 -0.020 0.000 1.086 22 L CA 0.718 55.543 54.840 -0.025 0.000 0.760 22 L CB -0.462 41.581 42.059 -0.027 0.000 0.910 22 L HN 0.031 nan 8.230 nan 0.000 0.437 23 R N 0.637 121.131 120.500 -0.010 0.000 2.073 23 R HA -0.135 4.205 4.340 -0.000 0.000 0.234 23 R C 2.162 178.461 176.300 -0.001 0.000 1.134 23 R CA 2.347 58.445 56.100 -0.003 0.000 0.952 23 R CB -1.180 29.121 30.300 0.000 0.000 0.850 23 R HN 0.174 nan 8.270 nan 0.000 0.433 24 T N 0.680 115.233 114.554 -0.003 0.000 2.684 24 T HA -0.124 4.225 4.350 -0.000 0.000 0.267 24 T C 1.877 176.576 174.700 -0.002 0.000 1.036 24 T CA 1.918 64.017 62.100 -0.001 0.000 1.148 24 T CB -0.197 68.671 68.868 -0.002 0.000 0.863 24 T HN 0.341 nan 8.240 nan 0.000 0.436 25 R N 0.128 120.623 120.500 -0.010 0.000 2.092 25 R HA 0.062 4.401 4.340 -0.000 0.000 0.231 25 R C 2.366 178.658 176.300 -0.013 0.000 1.119 25 R CA 0.763 56.854 56.100 -0.015 0.000 0.970 25 R CB -0.475 29.808 30.300 -0.028 0.000 0.864 25 R HN 0.213 nan 8.270 nan 0.000 0.440 26 L N 1.356 122.570 121.223 -0.015 0.000 2.027 26 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 26 L C 1.255 178.146 176.870 0.036 0.000 1.074 26 L CA 1.952 56.793 54.840 0.002 0.000 0.745 26 L CB -0.469 41.590 42.059 -0.000 0.000 0.898 26 L HN 0.031 nan 8.230 nan 0.000 0.433 27 D N -0.028 120.388 120.400 0.025 0.000 2.123 27 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 27 D C 2.203 178.519 176.300 0.027 0.000 0.992 27 D CA 1.610 55.627 54.000 0.028 0.000 0.833 27 D CB -0.254 40.557 40.800 0.019 0.000 0.954 27 D HN 0.495 nan 8.370 nan 0.000 0.455 28 A N 0.941 123.773 122.820 0.020 0.000 1.902 28 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 28 A C 2.317 179.918 177.584 0.028 0.000 1.181 28 A CA 2.322 54.370 52.037 0.019 0.000 0.623 28 A CB -0.773 18.233 19.000 0.011 0.000 0.818 28 A HN 0.239 nan 8.150 nan 0.000 0.443 29 A N -0.268 122.575 122.820 0.037 0.000 1.877 29 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 29 A C 2.101 179.726 177.584 0.068 0.000 1.186 29 A CA 1.567 53.641 52.037 0.061 0.000 0.620 29 A CB -0.608 18.442 19.000 0.084 0.000 0.822 29 A HN 0.475 nan 8.150 nan 0.000 0.443 30 L N -0.981 120.285 121.223 0.072 0.000 2.395 30 L HA -0.042 4.298 4.340 -0.000 0.000 0.218 30 L C 2.757 179.640 176.870 0.023 0.000 1.130 30 L CA 0.584 55.453 54.840 0.047 0.000 0.826 30 L CB -0.307 41.789 42.059 0.061 0.000 0.941 30 L HN 0.439 nan 8.230 nan 0.000 0.451 31 A N -0.315 122.520 122.820 0.026 0.000 2.119 31 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 31 A C 1.141 178.736 177.584 0.018 0.000 1.152 31 A CA 0.357 52.406 52.037 0.019 0.000 0.708 31 A CB -0.122 18.889 19.000 0.019 0.000 0.805 31 A HN 0.218 nan 8.150 nan 0.000 0.460 32 K N 0.605 121.017 120.400 0.021 0.000 2.276 32 K HA 0.281 4.601 4.320 -0.000 0.000 0.259 32 K C -2.570 174.043 176.600 0.022 0.000 1.001 32 K CA -1.665 54.636 56.287 0.024 0.000 0.927 32 K CB -0.045 32.474 32.500 0.033 0.000 0.969 32 K HN 0.039 nan 8.250 nan 0.000 0.490 33 P HA -0.002 nan 4.420 nan 0.000 0.267 33 P C -1.498 175.832 177.300 0.051 0.000 1.205 33 P CA 0.094 63.214 63.100 0.033 0.000 0.765 33 P CB 0.767 32.488 31.700 0.035 0.000 0.828 34 A N 2.948 125.796 122.820 0.046 0.000 2.311 34 A HA 0.680 5.000 4.320 -0.000 0.000 0.306 34 A C -0.014 177.638 177.584 0.113 0.000 1.189 34 A CA -0.641 51.449 52.037 0.088 0.000 0.791 34 A CB 0.852 19.841 19.000 -0.017 0.000 1.172 34 A HN 0.549 nan 8.150 nan 0.000 0.481 35 A N 2.175 125.086 122.820 0.152 0.000 2.332 35 A HA 0.565 4.885 4.320 -0.000 0.000 0.258 35 A C 0.670 178.283 177.584 0.048 0.000 1.087 35 A CA -0.080 51.993 52.037 0.061 0.000 0.802 35 A CB 0.047 19.052 19.000 0.009 0.000 1.042 35 A HN 1.240 nan 8.150 nan 0.000 0.489 36 Q N -1.067 118.728 119.800 -0.008 0.000 2.494 36 Q HA -0.140 4.200 4.340 -0.000 0.000 0.272 36 Q C -0.550 175.418 176.000 -0.054 0.000 1.145 36 Q CA 0.916 56.694 55.803 -0.043 0.000 0.943 36 Q CB -1.608 27.081 28.738 -0.080 0.000 1.338 36 Q HN 0.824 nan 8.270 nan 0.000 0.492 37 Q N 0.811 120.581 119.800 -0.051 0.000 2.259 37 Q HA 0.454 4.794 4.340 -0.000 0.000 0.246 37 Q C -1.765 174.106 176.000 -0.214 0.000 0.920 37 Q CA -1.688 54.047 55.803 -0.115 0.000 0.895 37 Q CB 0.409 29.098 28.738 -0.082 0.000 1.220 37 Q HN 0.073 nan 8.270 nan 0.000 0.439 38 P HA 0.016 nan 4.420 nan 0.000 0.269 38 P C -0.463 176.546 177.300 -0.485 0.000 1.217 38 P CA -0.041 62.681 63.100 -0.631 0.000 0.783 38 P CB 0.257 30.927 31.700 -1.718 0.000 0.898 39 T N -0.323 114.140 114.554 -0.151 0.000 3.042 39 T HA 0.569 4.919 4.350 -0.000 0.000 0.356 39 T C -0.848 173.840 174.700 -0.020 0.000 1.233 39 T CA -0.646 61.359 62.100 -0.158 0.000 1.038 39 T CB -0.607 68.152 68.868 -0.182 0.000 1.089 39 T HN 0.499 nan 8.240 nan 0.000 0.531 40 W N 1.005 122.348 121.300 0.072 0.000 3.029 40 W HA 0.756 5.416 4.660 -0.000 0.000 0.339 40 W C -3.238 173.298 176.519 0.028 0.000 1.198 40 W CA -3.268 54.109 57.345 0.054 0.000 1.148 40 W CB -0.805 28.702 29.460 0.078 0.000 1.451 40 W HN 0.264 nan 8.180 nan 0.000 0.564 41 P HA 0.284 nan 4.420 nan 0.000 0.268 41 P C 0.731 178.122 177.300 0.152 0.000 1.205 41 P CA 0.328 63.524 63.100 0.160 0.000 0.771 41 P CB 0.885 32.635 31.700 0.083 0.000 0.858 42 A N 3.149 126.039 122.820 0.117 0.000 1.902 42 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 42 A C 1.805 179.414 177.584 0.041 0.000 1.181 42 A CA 1.888 53.982 52.037 0.095 0.000 0.623 42 A CB -1.071 17.970 19.000 0.070 0.000 0.818 42 A HN 0.704 nan 8.150 nan 0.000 0.443 43 D N -0.352 120.061 120.400 0.021 0.000 2.144 43 D HA -0.228 4.412 4.640 -0.000 0.000 0.199 43 D C 1.801 178.079 176.300 -0.038 0.000 0.984 43 D CA 1.631 55.627 54.000 -0.006 0.000 0.834 43 D CB -0.705 40.092 40.800 -0.005 0.000 0.955 43 D HN 0.645 nan 8.370 nan 0.000 0.465 44 Q N 0.368 120.136 119.800 -0.053 0.000 2.049 44 Q HA 0.044 4.384 4.340 -0.000 0.000 0.198 44 Q C 2.513 178.393 176.000 -0.201 0.000 0.971 44 Q CA 1.340 57.071 55.803 -0.121 0.000 0.833 44 Q CB -0.209 28.453 28.738 -0.126 0.000 0.896 44 Q HN 0.401 nan 8.270 nan 0.000 0.434 45 A N 1.222 123.915 122.820 -0.212 0.000 1.917 45 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 45 A C 2.075 179.597 177.584 -0.103 0.000 1.182 45 A CA 1.444 53.349 52.037 -0.219 0.000 0.633 45 A CB -0.745 18.260 19.000 0.008 0.000 0.819 45 A HN 0.363 nan 8.150 nan 0.000 0.448 46 L N -0.214 120.978 121.223 -0.052 0.000 2.042 46 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 46 L C 2.653 179.488 176.870 -0.059 0.000 1.076 46 L CA 2.313 57.132 54.840 -0.036 0.000 0.749 46 L CB -0.994 41.055 42.059 -0.017 0.000 0.893 46 L HN 0.359 nan 8.230 nan 0.000 0.432 47 A N -0.617 122.157 122.820 -0.077 0.000 1.883 47 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 47 A C 2.196 179.719 177.584 -0.101 0.000 1.186 47 A CA 2.372 54.358 52.037 -0.084 0.000 0.624 47 A CB -0.562 18.383 19.000 -0.092 0.000 0.822 47 A HN 0.506 nan 8.150 nan 0.000 0.444 48 M N -0.527 118.992 119.600 -0.135 0.000 2.117 48 M HA -0.084 4.395 4.480 -0.000 0.000 0.262 48 M C 2.148 178.388 176.300 -0.100 0.000 1.065 48 M CA 1.351 56.567 55.300 -0.140 0.000 1.114 48 M CB -1.339 31.137 32.600 -0.206 0.000 1.361 48 M HN 0.411 nan 8.290 nan 0.000 0.408 49 R N -0.479 119.973 120.500 -0.080 0.000 2.081 49 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 49 R C 2.179 178.437 176.300 -0.070 0.000 1.131 49 R CA 1.837 57.901 56.100 -0.060 0.000 0.960 49 R CB -0.854 29.429 30.300 -0.029 0.000 0.856 49 R HN 0.394 nan 8.270 nan 0.000 0.436 50 T N 0.939 115.454 114.554 -0.064 0.000 2.746 50 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 50 T C 2.058 176.715 174.700 -0.072 0.000 1.039 50 T CA 1.294 63.358 62.100 -0.059 0.000 1.142 50 T CB -0.188 68.651 68.868 -0.049 0.000 0.866 50 T HN -0.001 nan 8.240 nan 0.000 0.444 51 V N 1.618 121.482 119.914 -0.083 0.000 2.261 51 V HA -0.124 3.996 4.120 -0.000 0.000 0.246 51 V C 2.483 178.498 176.094 -0.132 0.000 1.047 51 V CA 1.553 63.799 62.300 -0.091 0.000 1.015 51 V CB -0.680 31.089 31.823 -0.089 0.000 0.642 51 V HN 0.450 nan 8.190 nan 0.000 0.446 52 L N -0.398 120.731 121.223 -0.157 0.000 2.201 52 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 52 L C 2.433 179.166 176.870 -0.228 0.000 1.105 52 L CA 1.251 55.938 54.840 -0.255 0.000 0.775 52 L CB -0.605 41.314 42.059 -0.233 0.000 0.913 52 L HN 0.419 nan 8.230 nan 0.000 0.440 53 E N -0.503 119.611 120.200 -0.143 0.000 2.338 53 E HA -0.114 4.236 4.350 -0.000 0.000 0.197 53 E C 1.691 178.233 176.600 -0.097 0.000 1.007 53 E CA 0.866 57.203 56.400 -0.105 0.000 0.849 53 E CB 0.151 29.811 29.700 -0.066 0.000 0.774 53 E HN 0.324 nan 8.360 nan 0.000 0.506 54 S N 0.060 115.695 115.700 -0.107 0.000 2.559 54 S HA 0.055 4.525 4.470 -0.000 0.000 0.226 54 S C 0.557 175.100 174.600 -0.094 0.000 1.000 54 S CA -0.327 57.824 58.200 -0.081 0.000 0.948 54 S CB 0.616 63.784 63.200 -0.054 0.000 0.870 54 S HN 0.163 nan 8.310 nan 0.000 0.497 55 V N 1.159 120.966 119.914 -0.179 0.000 3.096 55 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 55 V C -2.802 173.238 176.094 -0.090 0.000 1.088 55 V CA -2.223 59.960 62.300 -0.196 0.000 1.129 55 V CB -0.612 30.834 31.823 -0.628 0.000 1.014 55 V HN -0.038 nan 8.190 nan 0.000 0.486 56 P HA 0.244 nan 4.420 nan 0.000 0.265 56 P C -2.478 174.907 177.300 0.141 0.000 1.193 56 P CA -0.688 62.466 63.100 0.091 0.000 0.765 56 P CB -0.286 31.492 31.700 0.129 0.000 0.823 57 P HA 0.007 nan 4.420 nan 0.000 0.274 57 P C 0.633 178.026 177.300 0.155 0.000 1.237 57 P CA -0.115 63.045 63.100 0.100 0.000 0.793 57 P CB 0.866 32.589 31.700 0.038 0.000 0.977 58 V N 0.236 120.252 119.914 0.170 0.000 2.453 58 V HA -0.054 4.066 4.120 -0.000 0.000 0.247 58 V C 1.525 177.634 176.094 0.026 0.000 1.048 58 V CA 2.338 64.712 62.300 0.124 0.000 1.049 58 V CB -1.013 30.902 31.823 0.153 0.000 0.672 58 V HN 0.826 nan 8.190 nan 0.000 0.457 59 T N -1.645 112.896 114.554 -0.022 0.000 2.887 59 T HA 0.724 5.074 4.350 -0.000 0.000 0.292 59 T C -0.799 173.890 174.700 -0.018 0.000 1.087 59 T CA -0.267 61.776 62.100 -0.095 0.000 1.009 59 T CB 2.131 70.766 68.868 -0.389 0.000 1.203 59 T HN 0.293 nan 8.240 nan 0.000 0.518 60 V N -1.656 118.263 119.914 0.008 0.000 2.864 60 V HA 0.631 4.751 4.120 -0.000 0.000 0.314 60 V C -2.369 173.665 176.094 -0.100 0.000 1.073 60 V CA -2.624 59.652 62.300 -0.040 0.000 0.956 60 V CB 1.447 33.253 31.823 -0.027 0.000 1.023 60 V HN 0.617 nan 8.190 nan 0.000 0.435 61 P HA -0.149 nan 4.420 nan 0.000 0.216 61 P C 1.891 178.993 177.300 -0.330 0.000 1.150 61 P CA 2.385 65.065 63.100 -0.701 0.000 0.843 61 P CB 0.066 31.050 31.700 -1.194 0.000 0.787 62 S N -0.642 114.956 115.700 -0.170 0.000 2.423 62 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 62 S C 1.808 176.431 174.600 0.038 0.000 1.014 62 S CA 1.020 59.188 58.200 -0.053 0.000 0.965 62 S CB -1.081 62.098 63.200 -0.035 0.000 0.785 62 S HN 0.256 nan 8.310 nan 0.000 0.495 63 E N 1.160 121.415 120.200 0.092 0.000 2.106 63 E HA 0.019 4.368 4.350 -0.000 0.000 0.192 63 E C 1.946 178.701 176.600 0.257 0.000 0.984 63 E CA 1.235 57.758 56.400 0.206 0.000 0.806 63 E CB -0.350 29.545 29.700 0.325 0.000 0.750 63 E HN 0.592 nan 8.360 nan 0.000 0.458 64 I N 0.681 121.405 120.570 0.256 0.000 2.252 64 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 64 I C 2.311 178.541 176.117 0.189 0.000 1.102 64 I CA 0.680 62.139 61.300 0.265 0.000 1.385 64 I CB -0.160 38.063 38.000 0.372 0.000 1.064 64 I HN -0.023 nan 8.210 nan 0.000 0.414 65 V N 1.003 121.022 119.914 0.176 0.000 2.343 65 V HA -0.279 3.840 4.120 -0.000 0.000 0.247 65 V C 2.655 178.792 176.094 0.071 0.000 1.051 65 V CA 2.007 64.387 62.300 0.132 0.000 1.036 65 V CB -0.783 31.107 31.823 0.112 0.000 0.654 65 V HN 0.427 nan 8.190 nan 0.000 0.451 66 R N -0.136 120.408 120.500 0.073 0.000 2.081 66 R HA -0.192 4.148 4.340 -0.000 0.000 0.235 66 R C 2.276 178.580 176.300 0.007 0.000 1.131 66 R CA 1.882 58.019 56.100 0.061 0.000 0.960 66 R CB -0.401 29.960 30.300 0.102 0.000 0.856 66 R HN 0.433 nan 8.270 nan 0.000 0.436 67 L N 1.255 122.441 121.223 -0.061 0.000 2.046 67 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 67 L C 2.398 179.160 176.870 -0.181 0.000 1.077 67 L CA 2.036 56.679 54.840 -0.328 0.000 0.747 67 L CB -0.780 40.940 42.059 -0.565 0.000 0.896 67 L HN 0.266 nan 8.230 nan 0.000 0.432 68 Q N 0.244 120.001 119.800 -0.071 0.000 2.077 68 Q HA -0.272 4.068 4.340 -0.000 0.000 0.206 68 Q C 2.074 178.051 176.000 -0.039 0.000 0.989 68 Q CA 2.426 58.205 55.803 -0.040 0.000 0.853 68 Q CB -0.315 28.427 28.738 0.008 0.000 0.907 68 Q HN 0.673 nan 8.270 nan 0.000 0.418 69 E N -0.373 119.814 120.200 -0.023 0.000 2.085 69 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 69 E C 2.197 178.782 176.600 -0.025 0.000 0.994 69 E CA 1.461 57.852 56.400 -0.015 0.000 0.801 69 E CB -0.094 29.606 29.700 0.001 0.000 0.743 69 E HN 0.529 nan 8.360 nan 0.000 0.453 70 Q N 0.165 119.940 119.800 -0.041 0.000 2.119 70 Q HA -0.094 4.246 4.340 -0.000 0.000 0.201 70 Q C 2.281 178.249 176.000 -0.053 0.000 0.972 70 Q CA 0.852 56.632 55.803 -0.039 0.000 0.847 70 Q CB 0.004 28.716 28.738 -0.043 0.000 0.903 70 Q HN 0.315 nan 8.270 nan 0.000 0.433 71 L N 0.045 121.218 121.223 -0.084 0.000 2.217 71 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 71 L C 2.440 179.280 176.870 -0.051 0.000 1.107 71 L CA 0.582 55.376 54.840 -0.077 0.000 0.783 71 L CB -0.512 41.488 42.059 -0.100 0.000 0.919 71 L HN 0.202 nan 8.230 nan 0.000 0.442 72 A N -0.511 122.284 122.820 -0.042 0.000 1.933 72 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 72 A C 2.267 179.831 177.584 -0.032 0.000 1.175 72 A CA 1.249 53.266 52.037 -0.033 0.000 0.628 72 A CB -0.319 18.666 19.000 -0.026 0.000 0.814 72 A HN 0.359 nan 8.150 nan 0.000 0.444 73 Q N -0.182 119.601 119.800 -0.028 0.000 2.084 73 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 73 Q C 2.368 178.349 176.000 -0.032 0.000 0.978 73 Q CA 1.658 57.444 55.803 -0.027 0.000 0.844 73 Q CB -0.827 27.905 28.738 -0.011 0.000 0.898 73 Q HN 0.514 nan 8.270 nan 0.000 0.426 74 V N 1.351 121.261 119.914 -0.007 0.000 2.255 74 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 74 V C 2.439 178.551 176.094 0.029 0.000 1.051 74 V CA 1.993 64.316 62.300 0.039 0.000 1.018 74 V CB -1.261 30.577 31.823 0.024 0.000 0.641 74 V HN 0.347 nan 8.190 nan 0.000 0.445 75 A N -0.418 122.398 122.820 -0.006 0.000 1.978 75 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 75 A C 2.174 179.738 177.584 -0.033 0.000 1.170 75 A CA 1.867 53.898 52.037 -0.009 0.000 0.636 75 A CB -0.461 18.516 19.000 -0.039 0.000 0.810 75 A HN 0.583 nan 8.150 nan 0.000 0.448 76 K N -1.340 119.015 120.400 -0.074 0.000 2.525 76 K HA 0.205 4.525 4.320 -0.000 0.000 0.192 76 K C 0.949 177.429 176.600 -0.201 0.000 1.029 76 K CA 0.447 56.676 56.287 -0.096 0.000 1.029 76 K CB -0.137 32.322 32.500 -0.068 0.000 0.814 76 K HN 0.675 nan 8.250 nan 0.000 0.503 77 G N 1.714 110.247 108.800 -0.445 0.000 2.137 77 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.237 77 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.237 77 G C 0.221 174.817 174.900 -0.506 0.000 1.002 77 G CA 0.221 44.761 45.100 -0.934 0.000 0.702 77 G HN 0.476 nan 8.290 nan 0.000 0.515 78 E N -0.673 119.372 120.200 -0.259 0.000 2.601 78 E HA 0.564 4.914 4.350 -0.000 0.000 0.219 78 E C 0.761 177.362 176.600 0.002 0.000 0.964 78 E CA 0.531 56.879 56.400 -0.087 0.000 1.050 78 E CB 0.943 30.606 29.700 -0.062 0.000 1.068 78 E HN 0.952 nan 8.360 nan 0.000 0.496 79 A N 0.681 123.535 122.820 0.057 0.000 2.599 79 A HA 0.667 4.987 4.320 -0.000 0.000 0.290 79 A C -2.073 175.712 177.584 0.336 0.000 1.101 79 A CA -0.624 51.507 52.037 0.157 0.000 0.674 79 A CB 1.157 20.211 19.000 0.091 0.000 1.277 79 A HN 0.111 nan 8.150 nan 0.000 0.419 80 F N 0.113 120.140 119.950 0.128 0.000 2.540 80 F HA 0.687 5.214 4.527 -0.000 0.000 0.317 80 F C -1.021 174.817 175.800 0.063 0.000 1.104 80 F CA -0.992 57.080 58.000 0.121 0.000 0.913 80 F CB 1.953 41.019 39.000 0.109 0.000 1.170 80 F HN 0.541 nan 8.300 nan 0.000 0.450 81 L N 7.088 128.050 121.223 -0.437 0.000 2.272 81 L HA 0.589 4.929 4.340 -0.000 0.000 0.289 81 L C -1.721 174.948 176.870 -0.336 0.000 1.032 81 L CA -0.608 54.056 54.840 -0.293 0.000 0.810 81 L CB 1.127 43.019 42.059 -0.277 0.000 1.205 81 L HN 0.629 nan 8.230 nan 0.000 0.422 82 L N 5.077 126.251 121.223 -0.083 0.000 2.287 82 L HA 0.586 4.926 4.340 -0.000 0.000 0.287 82 L C -0.774 176.049 176.870 -0.079 0.000 1.022 82 L CA 0.150 54.974 54.840 -0.027 0.000 0.814 82 L CB 1.382 43.499 42.059 0.098 0.000 1.217 82 L HN 0.824 nan 8.230 nan 0.000 0.420 83 Q N 3.394 123.104 119.800 -0.150 0.000 2.321 83 Q HA 0.798 5.138 4.340 -0.000 0.000 0.270 83 Q C -1.037 174.859 176.000 -0.174 0.000 1.032 83 Q CA -0.591 55.060 55.803 -0.252 0.000 0.784 83 Q CB 2.017 30.409 28.738 -0.577 0.000 1.264 83 Q HN 0.958 nan 8.270 nan 0.000 0.448 84 G N 0.876 109.628 108.800 -0.080 0.000 2.632 84 G HA2 0.727 4.686 3.960 -0.000 0.000 0.292 84 G HA3 0.727 4.686 3.960 -0.000 0.000 0.292 84 G C -1.009 173.918 174.900 0.045 0.000 1.465 84 G CA -0.001 45.110 45.100 0.018 0.000 0.824 84 G HN 0.931 nan 8.290 nan 0.000 0.509 85 G N -0.308 108.532 108.800 0.068 0.000 2.333 85 G HA2 0.423 4.383 3.960 -0.000 0.000 0.288 85 G HA3 0.423 4.383 3.960 -0.000 0.000 0.288 85 G C -1.675 173.268 174.900 0.072 0.000 1.286 85 G CA -0.709 44.424 45.100 0.054 0.000 0.865 85 G HN 0.655 nan 8.290 nan 0.000 0.506 86 D N -0.407 120.034 120.400 0.069 0.000 2.449 86 D HA 0.185 4.825 4.640 -0.000 0.000 0.236 86 D C 1.615 177.972 176.300 0.096 0.000 1.149 86 D CA 0.358 54.406 54.000 0.079 0.000 0.878 86 D CB 1.559 42.419 40.800 0.100 0.000 1.198 86 D HN 0.607 nan 8.370 nan 0.000 0.446 87 C N 2.273 121.622 119.300 0.082 0.000 2.432 87 C HA 0.117 4.576 4.460 -0.000 0.000 0.277 87 C C 0.868 175.920 174.990 0.105 0.000 1.249 87 C CA 1.122 60.209 59.018 0.116 0.000 1.725 87 C CB -0.696 27.101 27.740 0.095 0.000 2.028 87 C HN 0.618 nan 8.230 nan 0.000 0.477 88 A N 0.496 123.352 122.820 0.059 0.000 2.353 88 A HA 0.611 4.930 4.320 -0.000 0.000 0.299 88 A C -0.661 176.909 177.584 -0.024 0.000 1.089 88 A CA -0.425 51.621 52.037 0.016 0.000 0.736 88 A CB 0.548 19.583 19.000 0.058 0.000 1.195 88 A HN 0.654 nan 8.150 nan 0.000 0.447 89 E N 1.083 121.197 120.200 -0.144 0.000 2.404 89 E HA 0.382 4.731 4.350 -0.000 0.000 0.261 89 E C 0.372 176.995 176.600 0.038 0.000 1.074 89 E CA 0.481 56.785 56.400 -0.161 0.000 0.917 89 E CB 0.746 30.099 29.700 -0.578 0.000 0.965 89 E HN 0.723 nan 8.360 nan 0.000 0.433 90 T N -1.358 113.292 114.554 0.161 0.000 2.907 90 T HA 0.303 4.653 4.350 -0.000 0.000 0.292 90 T C 0.427 175.310 174.700 0.306 0.000 1.043 90 T CA -0.816 61.372 62.100 0.148 0.000 1.003 90 T CB 0.535 69.385 68.868 -0.029 0.000 1.084 90 T HN 0.198 nan 8.240 nan 0.000 0.483 91 F N 0.857 120.901 119.950 0.158 0.000 2.171 91 F HA 0.042 4.569 4.527 -0.000 0.000 0.300 91 F C 2.494 178.322 175.800 0.047 0.000 1.090 91 F CA 0.836 58.870 58.000 0.057 0.000 1.293 91 F CB -0.937 38.051 39.000 -0.019 0.000 1.013 91 F HN 0.619 nan 8.300 nan 0.000 0.486 92 M N -0.018 119.694 119.600 0.187 0.000 2.117 92 M HA -0.181 4.299 4.480 -0.000 0.000 0.262 92 M C 0.678 176.996 176.300 0.031 0.000 1.065 92 M CA 1.948 57.297 55.300 0.080 0.000 1.114 92 M CB -0.224 32.383 32.600 0.012 0.000 1.361 92 M HN -0.035 nan 8.290 nan 0.000 0.408 93 D N 0.103 120.497 120.400 -0.011 0.000 2.342 93 D HA 0.034 4.674 4.640 -0.000 0.000 0.221 93 D C -0.149 176.164 176.300 0.021 0.000 1.101 93 D CA 0.109 54.045 54.000 -0.106 0.000 0.837 93 D CB -0.544 40.032 40.800 -0.374 0.000 0.938 93 D HN 0.321 nan 8.370 nan 0.000 0.508 94 N N 1.805 120.586 118.700 0.135 0.000 3.178 94 N HA -0.010 4.730 4.740 -0.000 0.000 0.300 94 N C -0.690 174.899 175.510 0.130 0.000 1.242 94 N CA 0.095 53.261 53.050 0.194 0.000 1.192 94 N CB -0.134 38.516 38.487 0.273 0.000 1.463 94 N HN -0.015 nan 8.380 nan 0.000 0.539 95 T N -2.726 111.905 114.554 0.129 0.000 2.916 95 T HA 0.295 4.644 4.350 -0.000 0.000 0.292 95 T C 0.936 175.684 174.700 0.080 0.000 1.064 95 T CA -0.836 61.315 62.100 0.084 0.000 1.011 95 T CB 1.745 70.654 68.868 0.069 0.000 1.152 95 T HN 0.235 nan 8.240 nan 0.000 0.510 96 E N 0.627 120.854 120.200 0.046 0.000 2.058 96 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 96 E C -0.874 175.739 176.600 0.022 0.000 0.997 96 E CA 1.371 57.788 56.400 0.028 0.000 0.801 96 E CB -1.010 28.699 29.700 0.016 0.000 0.746 96 E HN 0.525 nan 8.360 nan 0.000 0.450 97 P HA -0.145 nan 4.420 nan 0.000 0.217 97 P C 0.868 178.181 177.300 0.021 0.000 1.150 97 P CA 1.514 64.623 63.100 0.014 0.000 0.832 97 P CB -0.111 31.602 31.700 0.021 0.000 0.787 98 H N -0.501 118.555 119.070 -0.023 0.000 2.363 98 H HA -0.007 4.549 4.556 -0.000 0.000 0.301 98 H C 1.827 177.142 175.328 -0.022 0.000 1.074 98 H CA 1.381 57.414 56.048 -0.025 0.000 1.354 98 H CB -0.950 28.804 29.762 -0.014 0.000 1.397 98 H HN -0.036 nan 8.280 nan 0.000 0.516 99 I N -0.000 120.526 120.570 -0.073 0.000 2.179 99 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 99 I C 2.772 178.821 176.117 -0.114 0.000 1.088 99 I CA 1.595 62.835 61.300 -0.099 0.000 1.357 99 I CB -0.338 37.663 38.000 0.000 0.000 1.051 99 I HN 0.235 nan 8.210 nan 0.000 0.409 100 R N 1.166 121.620 120.500 -0.078 0.000 2.091 100 R HA -0.160 4.179 4.340 -0.000 0.000 0.238 100 R C 2.319 178.535 176.300 -0.140 0.000 1.136 100 R CA 1.855 57.908 56.100 -0.079 0.000 0.959 100 R CB -0.677 29.589 30.300 -0.056 0.000 0.856 100 R HN 0.412 nan 8.270 nan 0.000 0.437 101 G N 0.268 108.964 108.800 -0.174 0.000 2.418 101 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 101 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 101 G C 1.097 175.867 174.900 -0.215 0.000 1.158 101 G CA 0.931 45.905 45.100 -0.209 0.000 0.771 101 G HN 0.353 nan 8.290 nan 0.000 0.545 102 N N 0.071 118.614 118.700 -0.263 0.000 2.188 102 N HA -0.063 4.677 4.740 -0.000 0.000 0.184 102 N C 2.269 177.709 175.510 -0.116 0.000 1.018 102 N CA 0.844 53.769 53.050 -0.210 0.000 0.858 102 N CB -0.345 37.979 38.487 -0.271 0.000 0.989 102 N HN 0.192 nan 8.380 nan 0.000 0.426 103 V N 1.096 120.952 119.914 -0.096 0.000 2.307 103 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 103 V C 2.461 178.548 176.094 -0.013 0.000 1.045 103 V CA 1.530 63.809 62.300 -0.035 0.000 1.024 103 V CB -0.460 31.354 31.823 -0.014 0.000 0.651 103 V HN 0.322 nan 8.190 nan 0.000 0.449 104 R N 0.571 121.035 120.500 -0.059 0.000 2.083 104 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 104 R C 2.267 178.541 176.300 -0.044 0.000 1.137 104 R CA 1.980 58.038 56.100 -0.069 0.000 0.951 104 R CB -0.524 29.542 30.300 -0.391 0.000 0.851 104 R HN 0.457 nan 8.270 nan 0.000 0.434 105 A N 1.084 123.846 122.820 -0.096 0.000 1.902 105 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 105 A C 2.087 179.649 177.584 -0.037 0.000 1.181 105 A CA 1.292 53.282 52.037 -0.080 0.000 0.623 105 A CB -0.584 18.357 19.000 -0.097 0.000 0.818 105 A HN 0.404 nan 8.150 nan 0.000 0.443 106 L N -0.319 120.891 121.223 -0.021 0.000 2.056 106 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 106 L C 2.354 179.239 176.870 0.024 0.000 1.078 106 L CA 1.562 56.403 54.840 0.002 0.000 0.749 106 L CB -0.413 41.651 42.059 0.007 0.000 0.901 106 L HN 0.412 nan 8.230 nan 0.000 0.433 107 L N -1.137 120.117 121.223 0.051 0.000 2.042 107 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 107 L C 2.625 179.542 176.870 0.078 0.000 1.076 107 L CA 1.436 56.324 54.840 0.081 0.000 0.749 107 L CB -0.632 41.510 42.059 0.138 0.000 0.893 107 L HN 0.384 nan 8.230 nan 0.000 0.432 108 Q N -0.573 119.281 119.800 0.091 0.000 2.061 108 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 108 Q C 2.355 178.333 176.000 -0.036 0.000 0.984 108 Q CA 1.699 57.539 55.803 0.062 0.000 0.846 108 Q CB -0.192 28.582 28.738 0.060 0.000 0.902 108 Q HN 0.524 nan 8.270 nan 0.000 0.421 109 M N 0.010 119.579 119.600 -0.052 0.000 2.080 109 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 109 M C 2.409 178.677 176.300 -0.053 0.000 1.068 109 M CA 1.584 56.837 55.300 -0.077 0.000 1.109 109 M CB -0.467 32.112 32.600 -0.035 0.000 1.342 109 M HN 0.255 nan 8.290 nan 0.000 0.405 110 A N -0.097 122.722 122.820 -0.002 0.000 1.940 110 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 110 A C 2.248 179.835 177.584 0.005 0.000 1.176 110 A CA 1.740 53.792 52.037 0.025 0.000 0.631 110 A CB -1.014 18.012 19.000 0.045 0.000 0.814 110 A HN 0.324 nan 8.150 nan 0.000 0.446 111 V N -0.496 119.412 119.914 -0.011 0.000 2.295 111 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 111 V C 2.564 178.634 176.094 -0.039 0.000 1.049 111 V CA 2.047 64.338 62.300 -0.014 0.000 1.024 111 V CB -0.794 31.030 31.823 0.003 0.000 0.648 111 V HN 0.380 nan 8.190 nan 0.000 0.447 112 V N -0.358 119.475 119.914 -0.134 0.000 2.358 112 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 112 V C 2.253 178.263 176.094 -0.139 0.000 1.047 112 V CA 1.815 63.967 62.300 -0.248 0.000 1.035 112 V CB -0.492 30.952 31.823 -0.632 0.000 0.658 112 V HN 0.431 nan 8.190 nan 0.000 0.452 113 L N -0.519 120.632 121.223 -0.120 0.000 2.109 113 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 113 L C 2.621 179.434 176.870 -0.095 0.000 1.086 113 L CA 1.574 56.336 54.840 -0.130 0.000 0.760 113 L CB -0.867 41.150 42.059 -0.069 0.000 0.910 113 L HN 0.339 nan 8.230 nan 0.000 0.437 114 T N -1.143 113.403 114.554 -0.015 0.000 2.708 114 T HA -0.272 4.078 4.350 -0.000 0.000 0.266 114 T C 1.711 176.411 174.700 0.000 0.000 1.037 114 T CA 1.638 63.745 62.100 0.012 0.000 1.146 114 T CB -0.402 68.488 68.868 0.037 0.000 0.865 114 T HN 0.280 nan 8.240 nan 0.000 0.435 115 Y N 1.749 122.005 120.300 -0.073 0.000 2.145 115 Y HA -0.017 4.533 4.550 -0.000 0.000 0.286 115 Y C 2.554 178.417 175.900 -0.062 0.000 1.145 115 Y CA 1.335 59.398 58.100 -0.061 0.000 1.148 115 Y CB -0.806 37.615 38.460 -0.064 0.000 0.981 115 Y HN 0.190 nan 8.280 nan 0.000 0.507 116 G N -0.574 108.197 108.800 -0.049 0.000 2.402 116 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 116 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 116 G C 1.744 176.536 174.900 -0.180 0.000 1.162 116 G CA 0.780 45.811 45.100 -0.114 0.000 0.777 116 G HN 0.561 nan 8.290 nan 0.000 0.539 117 A N -0.221 122.484 122.820 -0.191 0.000 2.066 117 A HA 0.334 4.654 4.320 -0.000 0.000 0.218 117 A C 1.793 179.322 177.584 -0.093 0.000 1.157 117 A CA 1.423 53.370 52.037 -0.151 0.000 0.670 117 A CB -0.252 18.645 19.000 -0.171 0.000 0.804 117 A HN 0.758 nan 8.150 nan 0.000 0.453 118 S N -1.435 114.179 115.700 -0.144 0.000 3.641 118 S HA -0.186 4.284 4.470 -0.000 0.000 0.346 118 S C -0.020 174.553 174.600 -0.045 0.000 1.074 118 S CA 1.406 59.528 58.200 -0.130 0.000 1.026 118 S CB -2.203 60.914 63.200 -0.138 0.000 0.908 118 S HN 1.248 nan 8.310 nan 0.000 0.479 119 M N -3.311 116.281 119.600 -0.012 0.000 2.732 119 M HA 0.686 5.166 4.480 -0.000 0.000 0.272 119 M C -3.449 172.885 176.300 0.057 0.000 1.203 119 M CA -2.324 52.995 55.300 0.031 0.000 0.841 119 M CB 1.073 33.710 32.600 0.061 0.000 1.685 119 M HN -0.226 nan 8.290 nan 0.000 0.492 120 P HA 0.267 nan 4.420 nan 0.000 0.269 120 P C -1.071 176.302 177.300 0.122 0.000 1.209 120 P CA -0.343 62.802 63.100 0.076 0.000 0.776 120 P CB 0.640 32.376 31.700 0.061 0.000 0.876 121 V N 3.708 123.696 119.914 0.122 0.000 2.417 121 V HA 0.187 4.306 4.120 -0.000 0.000 0.291 121 V C 0.126 176.294 176.094 0.122 0.000 1.024 121 V CA -0.686 61.713 62.300 0.164 0.000 0.861 121 V CB 1.922 33.849 31.823 0.173 0.000 0.985 121 V HN 0.223 nan 8.190 nan 0.000 0.436 122 V N 5.760 125.736 119.914 0.103 0.000 2.432 122 V HA 0.328 4.447 4.120 -0.000 0.000 0.271 122 V C 0.161 176.308 176.094 0.089 0.000 1.046 122 V CA -0.640 61.711 62.300 0.085 0.000 0.945 122 V CB 1.008 32.832 31.823 0.001 0.000 0.992 122 V HN 0.817 nan 8.190 nan 0.000 0.471 123 K N 4.306 124.796 120.400 0.150 0.000 2.316 123 K HA 0.648 4.968 4.320 -0.000 0.000 0.267 123 K C -1.203 175.497 176.600 0.166 0.000 1.025 123 K CA -0.448 55.910 56.287 0.119 0.000 0.896 123 K CB 1.877 34.431 32.500 0.090 0.000 1.124 123 K HN 0.456 nan 8.250 nan 0.000 0.451 124 V N 2.518 122.487 119.914 0.093 0.000 2.407 124 V HA 0.446 4.566 4.120 -0.000 0.000 0.291 124 V C -0.191 175.940 176.094 0.062 0.000 1.018 124 V CA -1.018 61.347 62.300 0.110 0.000 0.842 124 V CB 1.423 33.270 31.823 0.039 0.000 0.996 124 V HN 0.873 nan 8.190 nan 0.000 0.426 125 A N 5.162 128.046 122.820 0.106 0.000 2.327 125 A HA 0.658 4.978 4.320 -0.000 0.000 0.283 125 A C 0.326 177.993 177.584 0.139 0.000 1.127 125 A CA -0.591 51.499 52.037 0.089 0.000 0.810 125 A CB 0.375 19.422 19.000 0.079 0.000 1.066 125 A HN 0.844 nan 8.150 nan 0.000 0.492 126 R N 1.189 121.776 120.500 0.144 0.000 2.325 126 R HA 0.559 4.899 4.340 -0.000 0.000 0.323 126 R C -0.814 175.567 176.300 0.135 0.000 1.177 126 R CA 0.400 56.639 56.100 0.231 0.000 1.018 126 R CB -0.137 30.341 30.300 0.296 0.000 1.070 126 R HN 0.685 nan 8.270 nan 0.000 0.495 127 I N -0.332 120.315 120.570 0.127 0.000 2.961 127 I HA 0.240 4.410 4.170 -0.000 0.000 0.303 127 I C -0.774 175.393 176.117 0.083 0.000 1.505 127 I CA -0.472 60.865 61.300 0.062 0.000 0.964 127 I CB 1.824 39.865 38.000 0.068 0.000 1.348 127 I HN 0.648 nan 8.210 nan 0.000 0.508 128 A N 3.430 126.279 122.820 0.049 0.000 2.745 128 A HA 0.056 4.376 4.320 -0.000 0.000 0.296 128 A C 0.848 178.503 177.584 0.118 0.000 1.500 128 A CA 1.560 53.662 52.037 0.109 0.000 0.766 128 A CB -2.189 16.889 19.000 0.129 0.000 1.030 128 A HN 2.175 nan 8.150 nan 0.000 0.489 129 G N -2.159 106.600 108.800 -0.068 0.000 3.732 129 G HA2 0.223 4.183 3.960 -0.000 0.000 0.220 129 G HA3 0.223 4.183 3.960 -0.000 0.000 0.220 129 G C 0.027 174.595 174.900 -0.554 0.000 0.903 129 G CA 0.648 45.584 45.100 -0.273 0.000 0.896 129 G HN 1.293 nan 8.290 nan 0.000 0.685 130 Q N 0.903 120.416 119.800 -0.478 0.000 3.184 130 Q HA 0.524 4.864 4.340 -0.000 0.000 0.288 130 Q C -0.005 175.742 176.000 -0.422 0.000 1.412 130 Q CA -0.281 55.339 55.803 -0.305 0.000 0.991 130 Q CB -0.793 27.895 28.738 -0.084 0.000 1.688 130 Q HN 0.612 nan 8.270 nan 0.000 0.554 131 Y N -0.320 119.870 120.300 -0.184 0.000 2.588 131 Y HA 0.566 5.116 4.550 -0.000 0.000 0.247 131 Y C 0.212 175.974 175.900 -0.230 0.000 1.157 131 Y CA -0.339 57.644 58.100 -0.195 0.000 1.215 131 Y CB 1.205 39.555 38.460 -0.183 0.000 1.245 131 Y HN 0.415 nan 8.280 nan 0.000 0.534 132 A N 1.502 124.265 122.820 -0.095 0.000 2.398 132 A HA 0.719 5.039 4.320 -0.000 0.000 0.301 132 A C -1.022 176.479 177.584 -0.138 0.000 1.041 132 A CA -0.794 51.158 52.037 -0.143 0.000 0.711 132 A CB 1.154 20.079 19.000 -0.126 0.000 1.240 132 A HN 0.244 nan 8.150 nan 0.000 0.420 133 K N 2.220 122.516 120.400 -0.174 0.000 2.426 133 K HA 0.821 5.140 4.320 -0.000 0.000 0.251 133 K C -3.160 173.365 176.600 -0.126 0.000 0.941 133 K CA -1.913 54.300 56.287 -0.123 0.000 0.808 133 K CB 2.792 35.235 32.500 -0.096 0.000 1.265 133 K HN 0.370 nan 8.250 nan 0.000 0.432 134 P HA 0.286 nan 4.420 nan 0.000 0.279 134 P C -1.096 176.173 177.300 -0.052 0.000 1.252 134 P CA -0.680 62.371 63.100 -0.082 0.000 0.811 134 P CB 0.809 32.460 31.700 -0.082 0.000 1.035 135 R N 0.463 120.938 120.500 -0.041 0.000 2.628 135 R HA 0.258 4.598 4.340 -0.000 0.000 0.288 135 R C 1.317 177.613 176.300 -0.007 0.000 0.980 135 R CA -0.574 55.517 56.100 -0.014 0.000 0.891 135 R CB 1.429 31.723 30.300 -0.010 0.000 1.188 135 R HN 0.596 nan 8.270 nan 0.000 0.450 136 S N 0.683 116.386 115.700 0.006 0.000 2.383 136 S HA 0.012 4.482 4.470 -0.000 0.000 0.227 136 S C 0.847 175.451 174.600 0.007 0.000 1.026 136 S CA 0.740 58.944 58.200 0.008 0.000 0.981 136 S CB 0.190 63.401 63.200 0.018 0.000 0.818 136 S HN 0.660 nan 8.310 nan 0.000 0.472 137 A N 0.607 123.433 122.820 0.009 0.000 2.342 137 A HA 0.636 4.956 4.320 -0.000 0.000 0.323 137 A C 0.132 177.721 177.584 0.008 0.000 1.125 137 A CA -0.406 51.635 52.037 0.008 0.000 0.785 137 A CB 1.363 20.369 19.000 0.010 0.000 1.221 137 A HN 0.167 nan 8.150 nan 0.000 0.463 138 D N 0.909 121.312 120.400 0.005 0.000 2.333 138 D HA 0.051 4.691 4.640 -0.000 0.000 0.208 138 D C 0.224 176.530 176.300 0.010 0.000 0.984 138 D CA 0.858 54.864 54.000 0.009 0.000 0.873 138 D CB 0.098 40.897 40.800 -0.001 0.000 0.935 138 D HN 0.363 nan 8.370 nan 0.000 0.521 139 I N 1.975 122.547 120.570 0.004 0.000 2.404 139 I HA 0.206 4.376 4.170 -0.000 0.000 0.293 139 I C 0.197 176.315 176.117 0.002 0.000 0.992 139 I CA -0.899 60.401 61.300 0.001 0.000 1.149 139 I CB 1.260 39.256 38.000 -0.006 0.000 1.315 139 I HN -0.023 nan 8.210 nan 0.000 0.446 140 D N 5.161 125.561 120.400 -0.001 0.000 2.478 140 D HA 0.315 4.955 4.640 -0.000 0.000 0.274 140 D C 1.024 177.314 176.300 -0.015 0.000 1.234 140 D CA -0.493 53.504 54.000 -0.004 0.000 1.069 140 D CB 0.621 41.419 40.800 -0.004 0.000 1.113 140 D HN 0.446 nan 8.370 nan 0.000 0.571 141 A N -0.826 121.981 122.820 -0.022 0.000 2.070 141 A HA -0.019 4.301 4.320 -0.000 0.000 0.220 141 A C 2.122 179.683 177.584 -0.038 0.000 1.159 141 A CA 0.802 52.821 52.037 -0.029 0.000 0.656 141 A CB -0.796 18.182 19.000 -0.037 0.000 0.800 141 A HN 0.532 nan 8.150 nan 0.000 0.453 142 L N -1.559 119.637 121.223 -0.045 0.000 2.592 142 L HA 0.203 4.542 4.340 -0.000 0.000 0.227 142 L C 1.629 178.477 176.870 -0.037 0.000 1.127 142 L CA 0.530 55.340 54.840 -0.049 0.000 0.884 142 L CB -0.209 41.810 42.059 -0.067 0.000 1.065 142 L HN 0.559 nan 8.230 nan 0.000 0.457 143 G N 0.733 109.516 108.800 -0.029 0.000 2.143 143 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.249 143 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.249 143 G C 0.121 175.009 174.900 -0.019 0.000 0.981 143 G CA -0.102 44.985 45.100 -0.022 0.000 0.665 143 G HN 0.232 nan 8.290 nan 0.000 0.528 144 L N 0.505 121.715 121.223 -0.022 0.000 2.379 144 L HA 0.524 4.863 4.340 -0.000 0.000 0.269 144 L C 1.329 178.199 176.870 -0.000 0.000 1.084 144 L CA -1.244 53.587 54.840 -0.016 0.000 0.802 144 L CB 0.709 42.751 42.059 -0.029 0.000 1.175 144 L HN 0.019 nan 8.230 nan 0.000 0.448 145 R N 1.425 121.932 120.500 0.011 0.000 2.504 145 R HA 0.016 4.355 4.340 -0.000 0.000 0.291 145 R C -0.184 176.153 176.300 0.062 0.000 0.974 145 R CA -0.035 56.085 56.100 0.034 0.000 1.077 145 R CB 0.089 30.413 30.300 0.041 0.000 0.926 145 R HN 0.596 nan 8.270 nan 0.000 0.407 146 S N 3.033 118.772 115.700 0.065 0.000 2.558 146 S HA -0.099 4.371 4.470 -0.000 0.000 0.288 146 S C -0.081 174.594 174.600 0.124 0.000 1.318 146 S CA -0.207 58.038 58.200 0.075 0.000 1.056 146 S CB 0.181 63.411 63.200 0.049 0.000 0.853 146 S HN 0.395 nan 8.310 nan 0.000 0.505 147 Y N 2.770 123.060 120.300 -0.016 0.000 2.465 147 Y HA 0.171 4.721 4.550 -0.000 0.000 0.331 147 Y C 1.039 176.937 175.900 -0.004 0.000 1.102 147 Y CA -0.139 57.956 58.100 -0.008 0.000 1.358 147 Y CB 0.259 38.714 38.460 -0.008 0.000 1.213 147 Y HN 0.603 nan 8.280 nan 0.000 0.525 148 R N 4.087 124.295 120.500 -0.486 0.000 2.629 148 R HA 0.352 4.692 4.340 -0.000 0.000 0.386 148 R C 0.047 175.971 176.300 -0.628 0.000 1.071 148 R CA 0.197 56.015 56.100 -0.470 0.000 1.104 148 R CB 0.258 30.357 30.300 -0.335 0.000 1.370 148 R HN 1.020 nan 8.270 nan 0.000 0.574 149 G N 0.908 108.961 108.800 -1.245 0.000 2.690 149 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.686 149 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.686 149 G C -0.372 174.317 174.900 -0.351 0.000 1.277 149 G CA -0.685 43.951 45.100 -0.773 0.000 0.799 149 G HN 0.151 nan 8.290 nan 0.000 0.613 150 D N 0.055 120.352 120.400 -0.172 0.000 2.310 150 D HA -0.043 4.597 4.640 -0.000 0.000 0.212 150 D C 2.386 178.518 176.300 -0.280 0.000 0.965 150 D CA 1.120 54.904 54.000 -0.361 0.000 0.879 150 D CB 0.002 40.138 40.800 -1.106 0.000 0.921 150 D HN 0.474 nan 8.370 nan 0.000 0.510 151 M N -0.426 119.103 119.600 -0.119 0.000 2.476 151 M HA -0.033 4.447 4.480 -0.000 0.000 0.262 151 M C 1.081 177.471 176.300 0.150 0.000 1.079 151 M CA 1.118 56.439 55.300 0.034 0.000 1.104 151 M CB 0.267 32.840 32.600 -0.045 0.000 1.409 151 M HN -0.023 nan 8.290 nan 0.000 0.467 152 I N -0.642 119.947 120.570 0.031 0.000 3.366 152 I HA 0.078 4.247 4.170 -0.000 0.000 0.267 152 I C 0.353 176.492 176.117 0.037 0.000 1.149 152 I CA -0.123 61.174 61.300 -0.006 0.000 1.436 152 I CB 0.216 37.978 38.000 -0.397 0.000 1.379 152 I HN 0.316 nan 8.210 nan 0.000 0.460 153 N N 0.505 119.215 118.700 0.016 0.000 3.344 153 N HA 0.335 5.075 4.740 -0.000 0.000 0.296 153 N C -0.614 175.055 175.510 0.264 0.000 1.571 153 N CA -0.455 52.681 53.050 0.143 0.000 0.844 153 N CB 0.545 39.120 38.487 0.146 0.000 1.718 153 N HN -0.031 nan 8.380 nan 0.000 0.589 154 G N -1.278 107.671 108.800 0.250 0.000 2.389 154 G HA2 0.415 4.375 3.960 -0.000 0.000 0.328 154 G HA3 0.415 4.375 3.960 -0.000 0.000 0.328 154 G C -0.405 174.522 174.900 0.045 0.000 1.133 154 G CA -0.753 44.460 45.100 0.188 0.000 0.891 154 G HN 0.490 nan 8.290 nan 0.000 0.485 155 F N 2.611 122.287 119.950 -0.456 0.000 2.259 155 F HA 0.267 4.794 4.527 -0.000 0.000 0.298 155 F C 1.964 177.539 175.800 -0.374 0.000 1.088 155 F CA 0.643 58.092 58.000 -0.918 0.000 1.358 155 F CB 0.064 38.532 39.000 -0.887 0.000 1.040 155 F HN 0.502 nan 8.300 nan 0.000 0.505 156 A N 2.350 125.107 122.820 -0.105 0.000 2.567 156 A HA 0.094 4.414 4.320 -0.000 0.000 0.240 156 A C -2.034 175.437 177.584 -0.188 0.000 1.053 156 A CA -0.630 51.348 52.037 -0.099 0.000 0.755 156 A CB -0.887 18.113 19.000 -0.000 0.000 0.978 156 A HN 0.269 nan 8.150 nan 0.000 0.507 157 P HA 0.131 nan 4.420 nan 0.000 0.220 157 P C -1.113 176.134 177.300 -0.088 0.000 1.806 157 P CA 0.140 63.135 63.100 -0.174 0.000 0.976 157 P CB -0.375 31.215 31.700 -0.182 0.000 1.952 158 D N -0.630 119.734 120.400 -0.060 0.000 2.581 158 D HA 0.292 4.931 4.640 -0.000 0.000 0.232 158 D C 0.474 176.768 176.300 -0.011 0.000 1.143 158 D CA -0.907 53.076 54.000 -0.029 0.000 0.881 158 D CB 1.792 42.583 40.800 -0.015 0.000 1.500 158 D HN -0.077 nan 8.370 nan 0.000 0.458 159 A N 1.257 124.075 122.820 -0.003 0.000 1.877 159 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 159 A C 2.201 179.800 177.584 0.024 0.000 1.186 159 A CA 2.509 54.551 52.037 0.007 0.000 0.620 159 A CB -1.085 17.917 19.000 0.003 0.000 0.822 159 A HN 0.736 nan 8.150 nan 0.000 0.443 160 A N -0.197 122.637 122.820 0.023 0.000 1.902 160 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 160 A C 2.485 180.101 177.584 0.053 0.000 1.181 160 A CA 2.138 54.197 52.037 0.036 0.000 0.623 160 A CB -1.010 18.007 19.000 0.028 0.000 0.818 160 A HN 1.132 nan 8.150 nan 0.000 0.443 161 A N -0.780 122.068 122.820 0.047 0.000 1.972 161 A HA -0.125 4.194 4.320 -0.000 0.000 0.219 161 A C 2.053 179.695 177.584 0.097 0.000 1.169 161 A CA 1.306 53.381 52.037 0.063 0.000 0.635 161 A CB -0.335 18.686 19.000 0.036 0.000 0.810 161 A HN 0.362 nan 8.150 nan 0.000 0.446 162 R N 0.452 121.007 120.500 0.091 0.000 2.299 162 R HA 0.108 4.448 4.340 -0.000 0.000 0.197 162 R C -0.276 176.146 176.300 0.202 0.000 0.971 162 R CA 0.085 56.267 56.100 0.137 0.000 1.030 162 R CB -0.194 30.162 30.300 0.094 0.000 0.932 162 R HN 0.483 nan 8.270 nan 0.000 0.477 163 E N 1.234 121.532 120.200 0.163 0.000 2.373 163 E HA 0.026 4.376 4.350 -0.000 0.000 0.267 163 E C -0.225 176.561 176.600 0.311 0.000 1.032 163 E CA 0.101 56.609 56.400 0.180 0.000 0.889 163 E CB 0.484 30.248 29.700 0.105 0.000 0.984 163 E HN 0.273 nan 8.360 nan 0.000 0.425 164 H N 1.832 120.979 119.070 0.129 0.000 2.899 164 H HA 0.059 4.615 4.556 -0.000 0.000 0.303 164 H C -0.318 175.245 175.328 0.392 0.000 1.042 164 H CA -0.199 55.986 56.048 0.229 0.000 1.479 164 H CB 0.750 30.571 29.762 0.098 0.000 1.493 164 H HN 0.211 nan 8.280 nan 0.000 0.534 165 D N 5.573 126.294 120.400 0.535 0.000 2.462 165 D HA 0.123 4.763 4.640 -0.000 0.000 0.245 165 D C -1.853 174.473 176.300 0.043 0.000 1.122 165 D CA -2.624 51.536 54.000 0.268 0.000 0.864 165 D CB 1.741 42.639 40.800 0.163 0.000 1.098 165 D HN 0.240 nan 8.370 nan 0.000 0.541 166 P HA -0.130 nan 4.420 nan 0.000 0.222 166 P C 1.296 178.264 177.300 -0.553 0.000 1.147 166 P CA 0.711 63.134 63.100 -1.128 0.000 0.790 166 P CB 0.083 31.083 31.700 -1.166 0.000 0.780 167 S N 0.339 115.862 115.700 -0.295 0.000 2.440 167 S HA -0.158 4.312 4.470 -0.000 0.000 0.238 167 S C 1.977 176.489 174.600 -0.146 0.000 1.010 167 S CA 0.695 58.766 58.200 -0.214 0.000 0.972 167 S CB -1.043 62.049 63.200 -0.179 0.000 0.774 167 S HN 0.129 nan 8.310 nan 0.000 0.501 168 R N 0.571 121.032 120.500 -0.066 0.000 2.241 168 R HA 0.141 4.481 4.340 -0.000 0.000 0.224 168 R C 2.053 178.389 176.300 0.061 0.000 1.101 168 R CA 1.088 57.234 56.100 0.076 0.000 0.995 168 R CB -0.628 29.792 30.300 0.200 0.000 0.870 168 R HN 0.455 nan 8.270 nan 0.000 0.463 169 L N -0.257 120.951 121.223 -0.024 0.000 2.017 169 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 169 L C 2.230 179.186 176.870 0.145 0.000 1.073 169 L CA 1.138 56.027 54.840 0.082 0.000 0.745 169 L CB -0.362 41.715 42.059 0.029 0.000 0.894 169 L HN 0.013 nan 8.230 nan 0.000 0.432 170 V N -0.718 119.211 119.914 0.026 0.000 2.488 170 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 170 V C 2.595 178.717 176.094 0.048 0.000 1.046 170 V CA 1.351 63.684 62.300 0.055 0.000 1.053 170 V CB -0.534 31.237 31.823 -0.086 0.000 0.679 170 V HN 0.365 nan 8.190 nan 0.000 0.458 171 R N 0.045 120.478 120.500 -0.111 0.000 2.091 171 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 171 R C 2.373 178.365 176.300 -0.513 0.000 1.136 171 R CA 1.631 57.544 56.100 -0.312 0.000 0.959 171 R CB -0.444 29.584 30.300 -0.454 0.000 0.856 171 R HN 0.522 nan 8.270 nan 0.000 0.437 172 A N 0.030 122.694 122.820 -0.259 0.000 1.877 172 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 172 A C 1.983 179.570 177.584 0.005 0.000 1.186 172 A CA 1.489 53.406 52.037 -0.200 0.000 0.620 172 A CB -0.881 18.041 19.000 -0.130 0.000 0.822 172 A HN 0.593 nan 8.150 nan 0.000 0.443 173 Y N 0.737 121.125 120.300 0.147 0.000 2.145 173 Y HA -0.095 4.455 4.550 -0.000 0.000 0.286 173 Y C 2.589 178.567 175.900 0.129 0.000 1.145 173 Y CA 1.322 59.573 58.100 0.251 0.000 1.148 173 Y CB -0.694 37.913 38.460 0.246 0.000 0.981 173 Y HN 0.302 nan 8.280 nan 0.000 0.507 174 A N 0.946 123.663 122.820 -0.172 0.000 1.883 174 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 174 A C 2.208 179.645 177.584 -0.245 0.000 1.186 174 A CA 1.985 53.892 52.037 -0.217 0.000 0.624 174 A CB -1.002 18.075 19.000 0.129 0.000 0.822 174 A HN 0.672 nan 8.150 nan 0.000 0.444 175 N N 0.150 118.722 118.700 -0.213 0.000 2.120 175 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 175 N C 2.012 177.550 175.510 0.047 0.000 1.024 175 N CA 1.480 54.470 53.050 -0.100 0.000 0.852 175 N CB -0.362 38.027 38.487 -0.164 0.000 1.003 175 N HN 0.490 nan 8.380 nan 0.000 0.424 176 A N 1.242 124.111 122.820 0.083 0.000 1.877 176 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 176 A C 2.464 180.042 177.584 -0.010 0.000 1.186 176 A CA 2.189 54.310 52.037 0.140 0.000 0.620 176 A CB -0.792 18.348 19.000 0.233 0.000 0.822 176 A HN 0.476 nan 8.150 nan 0.000 0.443 177 S N 0.197 115.765 115.700 -0.219 0.000 2.402 177 S HA 0.068 4.538 4.470 -0.000 0.000 0.229 177 S C 2.071 176.608 174.600 -0.105 0.000 1.021 177 S CA 1.241 59.322 58.200 -0.198 0.000 0.974 177 S CB -0.642 62.315 63.200 -0.404 0.000 0.800 177 S HN 0.864 nan 8.310 nan 0.000 0.484 178 A N 2.266 125.019 122.820 -0.112 0.000 1.898 178 A HA 0.311 4.631 4.320 -0.000 0.000 0.216 178 A C 2.546 180.123 177.584 -0.010 0.000 1.181 178 A CA 1.694 53.695 52.037 -0.061 0.000 0.620 178 A CB -1.477 17.480 19.000 -0.072 0.000 0.819 178 A HN 0.798 nan 8.150 nan 0.000 0.442 179 A N -1.056 121.777 122.820 0.023 0.000 1.877 179 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 179 A C 2.188 179.797 177.584 0.042 0.000 1.186 179 A CA 2.260 54.328 52.037 0.051 0.000 0.620 179 A CB -0.509 18.547 19.000 0.093 0.000 0.822 179 A HN 0.517 nan 8.150 nan 0.000 0.443 180 M N 0.439 120.065 119.600 0.043 0.000 2.159 180 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 180 M C 1.731 178.052 176.300 0.036 0.000 1.063 180 M CA 2.107 57.438 55.300 0.051 0.000 1.110 180 M CB -0.788 31.848 32.600 0.060 0.000 1.374 180 M HN 0.550 nan 8.290 nan 0.000 0.411 181 N N -0.209 118.501 118.700 0.017 0.000 2.069 181 N HA -0.194 4.546 4.740 -0.000 0.000 0.191 181 N C 1.530 177.047 175.510 0.012 0.000 1.031 181 N CA 1.759 54.816 53.050 0.011 0.000 0.852 181 N CB -0.366 38.119 38.487 -0.003 0.000 1.018 181 N HN 0.403 nan 8.380 nan 0.000 0.423 182 L N -0.056 121.174 121.223 0.012 0.000 2.056 182 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 182 L C 2.020 178.900 176.870 0.017 0.000 1.078 182 L CA 1.210 56.058 54.840 0.013 0.000 0.749 182 L CB -0.645 41.422 42.059 0.014 0.000 0.901 182 L HN 0.065 nan 8.230 nan 0.000 0.433 183 V N 0.171 120.099 119.914 0.022 0.000 2.332 183 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 183 V C 2.732 178.834 176.094 0.013 0.000 1.055 183 V CA 2.217 64.529 62.300 0.021 0.000 1.038 183 V CB -0.729 31.114 31.823 0.033 0.000 0.651 183 V HN 0.473 nan 8.190 nan 0.000 0.450 184 R N 0.204 120.713 120.500 0.016 0.000 2.083 184 R HA -0.156 4.183 4.340 -0.000 0.000 0.237 184 R C 2.481 178.784 176.300 0.005 0.000 1.137 184 R CA 1.602 57.706 56.100 0.007 0.000 0.951 184 R CB -0.736 29.574 30.300 0.015 0.000 0.851 184 R HN 0.536 nan 8.270 nan 0.000 0.434 185 A N 1.401 124.227 122.820 0.010 0.000 1.883 185 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 185 A C 2.243 179.837 177.584 0.016 0.000 1.186 185 A CA 1.290 53.333 52.037 0.011 0.000 0.624 185 A CB -0.649 18.358 19.000 0.011 0.000 0.822 185 A HN 0.183 nan 8.150 nan 0.000 0.444 186 L N -0.179 121.056 121.223 0.020 0.000 2.046 186 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 186 L C 2.985 179.875 176.870 0.034 0.000 1.077 186 L CA 1.922 56.782 54.840 0.033 0.000 0.747 186 L CB -0.894 41.185 42.059 0.035 0.000 0.896 186 L HN 0.676 nan 8.230 nan 0.000 0.432 187 T N -4.205 110.360 114.554 0.019 0.000 3.023 187 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 187 T C 1.792 176.494 174.700 0.003 0.000 1.093 187 T CA 0.975 63.081 62.100 0.010 0.000 1.129 187 T CB -0.228 68.630 68.868 -0.015 0.000 0.899 187 T HN 0.407 nan 8.240 nan 0.000 0.491 188 S N 1.208 116.910 115.700 0.002 0.000 2.517 188 S HA 0.158 4.628 4.470 -0.000 0.000 0.214 188 S C 1.778 176.382 174.600 0.008 0.000 0.991 188 S CA 0.236 58.436 58.200 0.000 0.000 0.906 188 S CB -0.142 63.056 63.200 -0.004 0.000 0.789 188 S HN 0.634 nan 8.310 nan 0.000 0.513 189 S N -0.785 114.924 115.700 0.015 0.000 2.701 189 S HA 0.645 5.115 4.470 -0.000 0.000 0.242 189 S C 1.173 175.788 174.600 0.024 0.000 1.025 189 S CA 0.307 58.518 58.200 0.017 0.000 1.016 189 S CB 0.447 63.657 63.200 0.018 0.000 0.977 189 S HN 1.101 nan 8.310 nan 0.000 0.546 190 G N 1.018 109.835 108.800 0.029 0.000 2.705 190 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.193 190 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.193 190 G C 0.494 175.424 174.900 0.051 0.000 1.015 190 G CA 0.063 45.181 45.100 0.031 0.000 0.743 190 G HN 0.385 nan 8.290 nan 0.000 0.476 191 L N 1.956 123.233 121.223 0.089 0.000 2.131 191 L HA 0.474 4.814 4.340 -0.000 0.000 0.210 191 L C 2.624 179.583 176.870 0.149 0.000 1.092 191 L CA 2.943 57.887 54.840 0.174 0.000 0.759 191 L CB -0.203 41.962 42.059 0.177 0.000 0.903 191 L HN 0.628 nan 8.230 nan 0.000 0.435 192 A N -1.725 121.142 122.820 0.079 0.000 2.370 192 A HA 0.174 4.494 4.320 -0.000 0.000 0.238 192 A C 1.112 178.703 177.584 0.013 0.000 1.289 192 A CA 0.300 52.369 52.037 0.052 0.000 0.885 192 A CB -0.644 18.378 19.000 0.037 0.000 0.961 192 A HN 0.305 nan 8.150 nan 0.000 0.499 193 S N 0.212 115.908 115.700 -0.008 0.000 2.515 193 S HA 0.144 4.614 4.470 -0.000 0.000 0.285 193 S C 1.243 175.817 174.600 -0.043 0.000 1.265 193 S CA -0.421 57.775 58.200 -0.007 0.000 1.079 193 S CB 0.019 63.214 63.200 -0.010 0.000 0.877 193 S HN 0.493 nan 8.310 nan 0.000 0.493 194 L N 6.331 127.534 121.223 -0.033 0.000 2.043 194 L HA -0.103 4.236 4.340 -0.000 0.000 0.212 194 L C 1.804 178.558 176.870 -0.193 0.000 1.075 194 L CA 2.228 56.988 54.840 -0.133 0.000 0.752 194 L CB -1.088 40.847 42.059 -0.207 0.000 0.891 194 L HN 0.902 nan 8.230 nan 0.000 0.432 195 H N -1.836 117.184 119.070 -0.082 0.000 2.326 195 H HA -0.129 4.427 4.556 -0.000 0.000 0.301 195 H C 1.915 177.147 175.328 -0.161 0.000 1.081 195 H CA 1.751 57.754 56.048 -0.074 0.000 1.334 195 H CB -0.320 29.403 29.762 -0.065 0.000 1.385 195 H HN 0.308 nan 8.280 nan 0.000 0.504 196 L N 0.338 121.463 121.223 -0.164 0.000 2.046 196 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 196 L C 2.027 178.322 176.870 -0.958 0.000 1.077 196 L CA 1.179 55.711 54.840 -0.514 0.000 0.747 196 L CB -0.482 41.284 42.059 -0.489 0.000 0.896 196 L HN 0.114 nan 8.230 nan 0.000 0.432 197 V N -0.717 118.803 119.914 -0.656 0.000 2.343 197 V HA -0.325 3.794 4.120 -0.000 0.000 0.247 197 V C 2.539 178.546 176.094 -0.145 0.000 1.051 197 V CA 2.028 64.067 62.300 -0.436 0.000 1.036 197 V CB -1.076 30.717 31.823 -0.052 0.000 0.654 197 V HN 0.681 nan 8.190 nan 0.000 0.451 198 H N 0.511 119.466 119.070 -0.192 0.000 2.389 198 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 198 H C 2.002 177.301 175.328 -0.050 0.000 1.081 198 H CA 1.814 57.809 56.048 -0.088 0.000 1.345 198 H CB -0.205 29.488 29.762 -0.114 0.000 1.393 198 H HN 0.370 nan 8.280 nan 0.000 0.520 199 D N -0.136 120.135 120.400 -0.215 0.000 2.149 199 D HA -0.195 4.445 4.640 -0.000 0.000 0.198 199 D C 1.810 178.070 176.300 -0.067 0.000 0.990 199 D CA 0.952 54.833 54.000 -0.199 0.000 0.839 199 D CB -0.385 40.295 40.800 -0.201 0.000 0.948 199 D HN 0.529 nan 8.370 nan 0.000 0.460 200 W N 1.430 122.721 121.300 -0.015 0.000 2.358 200 W HA -0.048 4.611 4.660 -0.000 0.000 0.303 200 W C 2.036 178.576 176.519 0.036 0.000 1.208 200 W CA 0.307 57.659 57.345 0.012 0.000 1.274 200 W CB -1.275 28.194 29.460 0.014 0.000 1.138 200 W HN 0.038 nan 8.180 nan 0.000 0.515 201 N N 0.311 119.139 118.700 0.213 0.000 2.166 201 N HA -0.142 4.597 4.740 -0.000 0.000 0.186 201 N C 1.791 177.419 175.510 0.197 0.000 1.019 201 N CA 1.299 54.478 53.050 0.215 0.000 0.856 201 N CB -0.670 37.907 38.487 0.150 0.000 0.993 201 N HN 0.231 nan 8.380 nan 0.000 0.426 202 R N 0.511 120.991 120.500 -0.034 0.000 2.075 202 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 202 R C 1.908 178.234 176.300 0.045 0.000 1.126 202 R CA 0.969 57.045 56.100 -0.041 0.000 0.963 202 R CB -0.187 30.016 30.300 -0.162 0.000 0.858 202 R HN 0.202 nan 8.270 nan 0.000 0.435 203 E N 0.788 121.041 120.200 0.089 0.000 2.085 203 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 203 E C 1.563 178.236 176.600 0.122 0.000 0.994 203 E CA 1.210 57.673 56.400 0.106 0.000 0.801 203 E CB -0.321 29.471 29.700 0.152 0.000 0.743 203 E HN 0.259 nan 8.360 nan 0.000 0.453 204 F N 0.065 120.049 119.950 0.056 0.000 2.095 204 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 204 F C 1.989 177.799 175.800 0.017 0.000 1.104 204 F CA 1.559 59.586 58.000 0.044 0.000 1.232 204 F CB -0.592 38.457 39.000 0.082 0.000 0.987 204 F HN -0.052 nan 8.300 nan 0.000 0.475 205 V N 2.004 121.844 119.914 -0.123 0.000 2.407 205 V HA -0.298 3.821 4.120 -0.000 0.000 0.248 205 V C 2.501 178.461 176.094 -0.224 0.000 1.055 205 V CA 2.382 64.531 62.300 -0.252 0.000 1.049 205 V CB -0.927 30.868 31.823 -0.047 0.000 0.662 205 V HN 0.513 nan 8.190 nan 0.000 0.455 206 R N 0.842 121.265 120.500 -0.128 0.000 2.240 206 R HA -0.035 4.305 4.340 -0.000 0.000 0.203 206 R C 1.870 178.102 176.300 -0.114 0.000 1.011 206 R CA 1.381 57.422 56.100 -0.100 0.000 1.007 206 R CB -0.594 29.678 30.300 -0.048 0.000 0.911 206 R HN 0.576 nan 8.270 nan 0.000 0.468 207 T N -2.863 111.607 114.554 -0.140 0.000 2.971 207 T HA 0.100 4.449 4.350 -0.000 0.000 0.252 207 T C 0.832 175.424 174.700 -0.179 0.000 1.022 207 T CA 0.020 62.049 62.100 -0.119 0.000 0.980 207 T CB 0.183 69.017 68.868 -0.056 0.000 1.044 207 T HN 0.144 nan 8.240 nan 0.000 0.501 208 S N 2.593 118.086 115.700 -0.344 0.000 2.560 208 S HA 0.220 4.690 4.470 -0.000 0.000 0.284 208 S C -1.309 173.144 174.600 -0.246 0.000 1.327 208 S CA -1.034 56.931 58.200 -0.393 0.000 1.055 208 S CB 0.834 63.501 63.200 -0.888 0.000 0.868 208 S HN 0.100 nan 8.310 nan 0.000 0.506 209 P HA -0.017 nan 4.420 nan 0.000 0.216 209 P C 0.535 177.755 177.300 -0.134 0.000 1.150 209 P CA 1.424 64.453 63.100 -0.119 0.000 0.843 209 P CB 0.029 31.680 31.700 -0.081 0.000 0.787 210 A N -1.090 121.641 122.820 -0.148 0.000 2.460 210 A HA 0.435 4.754 4.320 -0.000 0.000 0.258 210 A C 2.063 179.490 177.584 -0.262 0.000 1.300 210 A CA 0.386 52.318 52.037 -0.174 0.000 0.913 210 A CB -1.057 17.883 19.000 -0.099 0.000 1.031 210 A HN 0.195 nan 8.150 nan 0.000 0.512 211 G N 0.353 108.988 108.800 -0.274 0.000 2.442 211 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.219 211 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.219 211 G C 1.637 176.389 174.900 -0.246 0.000 1.141 211 G CA 1.207 46.127 45.100 -0.301 0.000 0.763 211 G HN 0.759 nan 8.290 nan 0.000 0.554 212 A N 0.505 123.195 122.820 -0.218 0.000 1.978 212 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 212 A C 2.298 179.736 177.584 -0.243 0.000 1.170 212 A CA 1.874 53.800 52.037 -0.185 0.000 0.636 212 A CB -0.444 18.469 19.000 -0.145 0.000 0.810 212 A HN 0.402 nan 8.150 nan 0.000 0.448 213 R N -1.913 118.349 120.500 -0.396 0.000 2.096 213 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 213 R C 0.935 176.878 176.300 -0.596 0.000 1.127 213 R CA 1.725 57.476 56.100 -0.582 0.000 0.968 213 R CB -0.212 29.524 30.300 -0.940 0.000 0.861 213 R HN 0.600 nan 8.270 nan 0.000 0.440 214 Y N -0.276 119.888 120.300 -0.227 0.000 2.458 214 Y HA 0.224 4.774 4.550 -0.000 0.000 0.256 214 Y C 1.598 177.339 175.900 -0.265 0.000 1.159 214 Y CA -0.371 57.503 58.100 -0.378 0.000 1.261 214 Y CB 0.139 38.058 38.460 -0.903 0.000 1.119 214 Y HN 0.128 nan 8.280 nan 0.000 0.524 215 E N 0.878 121.029 120.200 -0.081 0.000 2.051 215 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 215 E C 2.365 178.980 176.600 0.025 0.000 0.991 215 E CA 1.315 57.695 56.400 -0.034 0.000 0.799 215 E CB 0.020 29.684 29.700 -0.060 0.000 0.748 215 E HN 0.434 nan 8.360 nan 0.000 0.449 216 A N 0.696 123.530 122.820 0.024 0.000 1.883 216 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 216 A C 2.111 179.752 177.584 0.096 0.000 1.186 216 A CA 1.324 53.390 52.037 0.048 0.000 0.624 216 A CB -0.618 18.404 19.000 0.037 0.000 0.822 216 A HN 0.331 nan 8.150 nan 0.000 0.444 217 L N -0.509 120.814 121.223 0.167 0.000 2.156 217 L HA 0.073 4.412 4.340 -0.000 0.000 0.208 217 L C 2.624 179.644 176.870 0.249 0.000 1.095 217 L CA 1.883 56.867 54.840 0.240 0.000 0.770 217 L CB -0.746 41.550 42.059 0.395 0.000 0.914 217 L HN 0.336 nan 8.230 nan 0.000 0.439 218 A N -1.609 121.408 122.820 0.329 0.000 1.933 218 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 218 A C 2.248 179.946 177.584 0.191 0.000 1.175 218 A CA 2.234 54.473 52.037 0.336 0.000 0.628 218 A CB -1.049 18.122 19.000 0.284 0.000 0.814 218 A HN 0.482 nan 8.150 nan 0.000 0.444 219 T N -0.758 113.861 114.554 0.108 0.000 2.857 219 T HA -0.088 4.261 4.350 -0.000 0.000 0.266 219 T C 1.853 176.553 174.700 -0.001 0.000 1.048 219 T CA 1.330 63.467 62.100 0.062 0.000 1.139 219 T CB -0.154 68.738 68.868 0.041 0.000 0.874 219 T HN 0.731 nan 8.240 nan 0.000 0.455 220 E N 0.778 120.960 120.200 -0.030 0.000 2.077 220 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 220 E C 2.068 178.447 176.600 -0.369 0.000 0.989 220 E CA 0.995 57.330 56.400 -0.108 0.000 0.800 220 E CB -0.247 29.447 29.700 -0.011 0.000 0.746 220 E HN 0.484 nan 8.360 nan 0.000 0.452 221 I N 1.057 121.322 120.570 -0.507 0.000 2.142 221 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 221 I C 2.352 178.189 176.117 -0.466 0.000 1.078 221 I CA 1.603 62.475 61.300 -0.713 0.000 1.343 221 I CB -0.387 37.369 38.000 -0.408 0.000 1.046 221 I HN 0.210 nan 8.210 nan 0.000 0.405 222 D N 0.920 121.183 120.400 -0.228 0.000 2.116 222 D HA -0.224 4.416 4.640 -0.000 0.000 0.193 222 D C 2.312 178.545 176.300 -0.112 0.000 0.998 222 D CA 1.666 55.583 54.000 -0.139 0.000 0.836 222 D CB 0.030 40.954 40.800 0.207 0.000 0.951 222 D HN 0.128 nan 8.370 nan 0.000 0.449 223 R N -0.648 119.805 120.500 -0.078 0.000 2.115 223 R HA 0.050 4.390 4.340 -0.000 0.000 0.230 223 R C 2.458 178.754 176.300 -0.006 0.000 1.111 223 R CA 1.070 57.149 56.100 -0.036 0.000 0.976 223 R CB -0.353 29.922 30.300 -0.042 0.000 0.870 223 R HN 0.238 nan 8.270 nan 0.000 0.445 224 G N 0.913 109.685 108.800 -0.047 0.000 2.402 224 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 224 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 224 G C 1.396 176.345 174.900 0.082 0.000 1.162 224 G CA 0.272 45.425 45.100 0.089 0.000 0.777 224 G HN 0.126 nan 8.290 nan 0.000 0.539 225 L N -0.249 120.922 121.223 -0.086 0.000 2.017 225 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 225 L C 3.225 180.111 176.870 0.027 0.000 1.073 225 L CA 1.226 56.000 54.840 -0.110 0.000 0.745 225 L CB -0.206 41.670 42.059 -0.305 0.000 0.894 225 L HN 0.184 nan 8.230 nan 0.000 0.432 226 R N -1.463 119.071 120.500 0.056 0.000 2.189 226 R HA -0.168 4.171 4.340 -0.000 0.000 0.223 226 R C 2.076 178.481 176.300 0.175 0.000 1.092 226 R CA 0.956 57.121 56.100 0.109 0.000 0.989 226 R CB -0.308 30.043 30.300 0.086 0.000 0.876 226 R HN 0.191 nan 8.270 nan 0.000 0.457 227 F N 1.391 121.346 119.950 0.007 0.000 2.171 227 F HA -0.107 4.420 4.527 -0.000 0.000 0.300 227 F C 1.897 177.709 175.800 0.020 0.000 1.090 227 F CA 1.325 59.334 58.000 0.016 0.000 1.293 227 F CB -0.133 38.880 39.000 0.021 0.000 1.013 227 F HN -0.092 nan 8.300 nan 0.000 0.486 228 M N -0.755 118.856 119.600 0.018 0.000 2.086 228 M HA -0.233 4.247 4.480 -0.000 0.000 0.261 228 M C 2.254 178.524 176.300 -0.051 0.000 1.067 228 M CA 1.973 57.226 55.300 -0.078 0.000 1.116 228 M CB -0.847 31.748 32.600 -0.009 0.000 1.348 228 M HN 0.020 nan 8.290 nan 0.000 0.407 229 S N 0.945 116.661 115.700 0.025 0.000 2.368 229 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 229 S C 2.157 176.753 174.600 -0.006 0.000 1.030 229 S CA 1.343 59.555 58.200 0.019 0.000 0.999 229 S CB -0.517 62.712 63.200 0.047 0.000 0.844 229 S HN 0.568 nan 8.310 nan 0.000 0.459 230 A N 0.305 123.132 122.820 0.013 0.000 1.940 230 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 230 A C 2.183 179.737 177.584 -0.050 0.000 1.176 230 A CA 1.511 53.559 52.037 0.019 0.000 0.631 230 A CB -1.061 18.009 19.000 0.117 0.000 0.814 230 A HN 0.622 nan 8.150 nan 0.000 0.446 231 C N -1.341 117.867 119.300 -0.154 0.000 2.626 231 C HA 0.436 4.896 4.460 -0.000 0.000 0.266 231 C C 1.851 176.770 174.990 -0.118 0.000 1.317 231 C CA 0.190 59.090 59.018 -0.197 0.000 1.716 231 C CB -1.200 26.308 27.740 -0.386 0.000 1.819 231 C HN 1.118 nan 8.230 nan 0.000 0.578 232 G N 0.948 109.700 108.800 -0.080 0.000 2.182 232 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.248 232 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.248 232 G C 0.319 175.188 174.900 -0.051 0.000 1.042 232 G CA 0.656 45.725 45.100 -0.052 0.000 0.775 232 G HN 1.201 nan 8.290 nan 0.000 0.501 233 V N -4.022 115.856 119.914 -0.059 0.000 2.991 233 V HA 0.802 4.922 4.120 -0.000 0.000 0.355 233 V C 0.927 177.009 176.094 -0.021 0.000 1.384 233 V CA 0.472 62.745 62.300 -0.046 0.000 1.171 233 V CB 0.506 32.290 31.823 -0.066 0.000 1.190 233 V HN 1.635 nan 8.190 nan 0.000 0.540 234 A N 2.287 125.103 122.820 -0.005 0.000 2.990 234 A HA 0.550 4.870 4.320 -0.000 0.000 0.282 234 A C 0.385 177.984 177.584 0.025 0.000 1.688 234 A CA 0.312 52.372 52.037 0.038 0.000 1.391 234 A CB -0.849 18.177 19.000 0.044 0.000 1.112 234 A HN 0.861 nan 8.150 nan 0.000 0.588 235 D N -0.265 120.150 120.400 0.024 0.000 2.616 235 D HA 0.145 4.784 4.640 -0.000 0.000 0.260 235 D C 1.273 177.583 176.300 0.018 0.000 1.158 235 D CA -0.886 53.120 54.000 0.010 0.000 1.085 235 D CB 0.271 41.071 40.800 -0.001 0.000 1.222 235 D HN 0.148 nan 8.370 nan 0.000 0.626 236 R N -0.310 120.194 120.500 0.007 0.000 2.154 236 R HA -0.238 4.101 4.340 -0.000 0.000 0.248 236 R C 1.032 177.339 176.300 0.012 0.000 1.155 236 R CA 1.608 57.712 56.100 0.007 0.000 0.979 236 R CB -0.505 29.796 30.300 0.001 0.000 0.869 236 R HN 0.449 nan 8.270 nan 0.000 0.452 237 N N 0.313 119.019 118.700 0.012 0.000 2.453 237 N HA -0.052 4.688 4.740 -0.000 0.000 0.183 237 N C 1.362 176.882 175.510 0.016 0.000 1.041 237 N CA 0.672 53.729 53.050 0.011 0.000 0.900 237 N CB 0.027 38.519 38.487 0.008 0.000 0.961 237 N HN 0.300 nan 8.380 nan 0.000 0.443 238 L N -0.391 120.850 121.223 0.030 0.000 2.558 238 L HA 0.080 4.419 4.340 -0.000 0.000 0.225 238 L C 1.430 178.331 176.870 0.052 0.000 1.128 238 L CA 0.320 55.185 54.840 0.041 0.000 0.868 238 L CB -0.071 42.044 42.059 0.093 0.000 1.006 238 L HN 0.126 nan 8.230 nan 0.000 0.454 239 Q N -0.026 119.798 119.800 0.039 0.000 2.398 239 Q HA 0.083 4.422 4.340 -0.000 0.000 0.204 239 Q C 0.957 176.967 176.000 0.018 0.000 0.932 239 Q CA 0.635 56.457 55.803 0.032 0.000 0.916 239 Q CB 0.511 29.260 28.738 0.018 0.000 1.024 239 Q HN 0.537 nan 8.270 nan 0.000 0.504 240 T N -2.948 111.613 114.554 0.012 0.000 2.883 240 T HA 0.853 5.203 4.350 -0.000 0.000 0.296 240 T C -1.063 173.636 174.700 -0.000 0.000 1.117 240 T CA -0.572 61.531 62.100 0.004 0.000 1.006 240 T CB 2.389 71.255 68.868 -0.002 0.000 1.191 240 T HN 0.044 nan 8.240 nan 0.000 0.508 241 A N 0.664 123.478 122.820 -0.009 0.000 2.566 241 A HA 0.770 5.090 4.320 -0.000 0.000 0.292 241 A C -1.125 176.423 177.584 -0.059 0.000 1.112 241 A CA -1.000 51.027 52.037 -0.017 0.000 0.707 241 A CB 1.358 20.359 19.000 0.001 0.000 1.302 241 A HN 0.881 nan 8.150 nan 0.000 0.409 242 E N 0.660 120.803 120.200 -0.094 0.000 2.146 242 E HA 0.496 4.846 4.350 -0.000 0.000 0.282 242 E C -1.238 175.198 176.600 -0.273 0.000 0.989 242 E CA -0.034 56.213 56.400 -0.255 0.000 0.799 242 E CB 1.518 31.017 29.700 -0.336 0.000 1.088 242 E HN 0.468 nan 8.360 nan 0.000 0.397 243 I N 4.058 124.453 120.570 -0.292 0.000 2.382 243 I HA 0.229 4.399 4.170 -0.000 0.000 0.285 243 I C -0.699 175.271 176.117 -0.245 0.000 1.007 243 I CA -0.742 60.457 61.300 -0.168 0.000 1.142 243 I CB 0.509 38.483 38.000 -0.043 0.000 1.289 243 I HN 0.449 nan 8.210 nan 0.000 0.453 244 Y N 4.266 124.544 120.300 -0.037 0.000 2.301 244 Y HA 0.535 5.085 4.550 -0.000 0.000 0.328 244 Y C 0.774 176.795 175.900 0.202 0.000 1.242 244 Y CA -0.488 57.591 58.100 -0.036 0.000 1.323 244 Y CB 0.955 39.330 38.460 -0.142 0.000 1.266 244 Y HN 0.560 nan 8.280 nan 0.000 0.527 245 A N 1.780 124.997 122.820 0.662 0.000 2.301 245 A HA 0.703 5.023 4.320 -0.000 0.000 0.312 245 A C -0.452 177.340 177.584 0.348 0.000 1.182 245 A CA -0.271 52.009 52.037 0.404 0.000 0.826 245 A CB 0.301 19.477 19.000 0.293 0.000 1.134 245 A HN 0.733 nan 8.150 nan 0.000 0.501 246 S N 1.819 117.694 115.700 0.291 0.000 2.556 246 S HA 0.883 5.353 4.470 -0.000 0.000 0.271 246 S C -0.845 173.932 174.600 0.295 0.000 1.135 246 S CA -0.630 57.728 58.200 0.263 0.000 0.858 246 S CB 1.581 64.985 63.200 0.339 0.000 1.114 246 S HN 1.414 nan 8.310 nan 0.000 0.468 247 H N -0.395 118.678 119.070 0.005 0.000 2.981 247 H HA 0.483 5.039 4.556 -0.000 0.000 0.327 247 H C -1.248 173.387 175.328 -1.156 0.000 1.342 247 H CA -0.636 55.190 56.048 -0.370 0.000 1.123 247 H CB 1.090 30.744 29.762 -0.181 0.000 1.851 247 H HN 0.836 nan 8.280 nan 0.000 0.531 248 E N 1.046 120.351 120.200 -1.491 0.000 2.351 248 E HA 0.345 4.695 4.350 -0.000 0.000 0.266 248 E C -0.361 175.942 176.600 -0.496 0.000 1.031 248 E CA -0.369 55.160 56.400 -1.453 0.000 0.911 248 E CB 0.399 29.570 29.700 -0.881 0.000 0.986 248 E HN 0.607 nan 8.360 nan 0.000 0.446 249 A N 5.617 128.187 122.820 -0.416 0.000 2.544 249 A HA 0.123 4.442 4.320 -0.000 0.000 0.301 249 A C 0.162 177.741 177.584 -0.007 0.000 1.368 249 A CA -0.235 51.740 52.037 -0.104 0.000 1.045 249 A CB 0.034 19.008 19.000 -0.044 0.000 1.129 249 A HN 0.733 nan 8.150 nan 0.000 0.540 250 L N 3.921 125.158 121.223 0.023 0.000 2.588 250 L HA 0.294 4.634 4.340 -0.000 0.000 0.194 250 L C 0.456 177.396 176.870 0.116 0.000 1.070 250 L CA 1.104 55.975 54.840 0.052 0.000 0.852 250 L CB 0.376 42.397 42.059 -0.063 0.000 1.199 250 L HN 0.295 nan 8.230 nan 0.000 0.486 251 V N 2.736 122.681 119.914 0.052 0.000 2.372 251 V HA 0.111 4.231 4.120 -0.000 0.000 0.261 251 V C 1.377 177.494 176.094 0.038 0.000 1.055 251 V CA 0.050 62.382 62.300 0.053 0.000 0.930 251 V CB 0.742 32.616 31.823 0.085 0.000 1.031 251 V HN 0.322 nan 8.190 nan 0.000 0.479 252 L N 2.022 123.198 121.223 -0.078 0.000 2.217 252 L HA -0.047 4.293 4.340 -0.000 0.000 0.211 252 L C 2.008 178.830 176.870 -0.081 0.000 1.107 252 L CA 0.847 55.544 54.840 -0.238 0.000 0.783 252 L CB -0.225 41.612 42.059 -0.370 0.000 0.919 252 L HN 0.594 nan 8.230 nan 0.000 0.442 253 D N -0.457 119.989 120.400 0.077 0.000 2.123 253 D HA -0.251 4.389 4.640 -0.000 0.000 0.196 253 D C 1.869 178.264 176.300 0.158 0.000 0.992 253 D CA 1.481 55.574 54.000 0.154 0.000 0.833 253 D CB -0.039 40.950 40.800 0.314 0.000 0.954 253 D HN 0.322 nan 8.370 nan 0.000 0.455 254 Y N 1.825 122.168 120.300 0.072 0.000 2.184 254 Y HA -0.132 4.418 4.550 -0.000 0.000 0.290 254 Y C 2.190 178.125 175.900 0.058 0.000 1.129 254 Y CA 1.318 59.461 58.100 0.073 0.000 1.144 254 Y CB 0.112 38.634 38.460 0.103 0.000 0.995 254 Y HN -0.176 nan 8.280 nan 0.000 0.513 255 E N 0.718 120.965 120.200 0.078 0.000 2.072 255 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 255 E C 2.243 178.896 176.600 0.088 0.000 0.985 255 E CA 1.612 58.022 56.400 0.017 0.000 0.801 255 E CB -0.491 29.126 29.700 -0.139 0.000 0.750 255 E HN 0.681 nan 8.360 nan 0.000 0.452 256 R N 0.995 121.516 120.500 0.035 0.000 2.092 256 R HA 0.061 4.401 4.340 -0.000 0.000 0.231 256 R C 2.172 178.516 176.300 0.074 0.000 1.119 256 R CA 1.407 57.616 56.100 0.182 0.000 0.970 256 R CB -0.452 29.928 30.300 0.133 0.000 0.864 256 R HN 0.061 nan 8.270 nan 0.000 0.440 257 A N 1.108 123.919 122.820 -0.015 0.000 2.066 257 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 257 A C 1.872 179.383 177.584 -0.122 0.000 1.157 257 A CA 0.837 52.830 52.037 -0.073 0.000 0.670 257 A CB -0.091 18.848 19.000 -0.102 0.000 0.804 257 A HN 0.258 nan 8.150 nan 0.000 0.453 258 M N -0.099 119.413 119.600 -0.146 0.000 2.494 258 M HA 0.305 4.785 4.480 -0.000 0.000 0.232 258 M C -0.032 176.262 176.300 -0.010 0.000 1.137 258 M CA -0.028 55.190 55.300 -0.137 0.000 1.012 258 M CB -0.980 31.477 32.600 -0.239 0.000 1.567 258 M HN 0.211 nan 8.290 nan 0.000 0.486 259 L N 1.816 123.061 121.223 0.037 0.000 2.453 259 L HA 0.111 4.451 4.340 -0.000 0.000 0.272 259 L C 0.519 177.412 176.870 0.039 0.000 1.182 259 L CA 0.243 55.119 54.840 0.061 0.000 0.858 259 L CB 0.177 42.274 42.059 0.063 0.000 1.120 259 L HN 0.100 nan 8.230 nan 0.000 0.474 260 R N 2.681 123.222 120.500 0.069 0.000 2.795 260 R HA 0.538 4.878 4.340 -0.000 0.000 0.275 260 R C -1.220 175.142 176.300 0.103 0.000 0.981 260 R CA -1.134 55.001 56.100 0.058 0.000 0.917 260 R CB 2.048 32.370 30.300 0.037 0.000 1.202 260 R HN 0.324 nan 8.270 nan 0.000 0.469 261 L N 1.505 122.772 121.223 0.074 0.000 2.292 261 L HA 0.309 4.649 4.340 -0.000 0.000 0.284 261 L C 0.288 177.215 176.870 0.096 0.000 1.065 261 L CA 0.145 55.042 54.840 0.095 0.000 0.806 261 L CB 1.247 43.336 42.059 0.049 0.000 1.175 261 L HN 0.806 nan 8.230 nan 0.000 0.431 262 S N 1.611 117.411 115.700 0.168 0.000 2.589 262 S HA 0.129 4.599 4.470 -0.000 0.000 0.265 262 S C 0.495 175.120 174.600 0.043 0.000 1.342 262 S CA 0.004 58.252 58.200 0.080 0.000 1.005 262 S CB 0.642 63.958 63.200 0.194 0.000 0.909 262 S HN 0.721 nan 8.310 nan 0.000 0.555 263 D N -1.208 119.194 120.400 0.003 0.000 2.328 263 D HA 0.182 4.822 4.640 -0.000 0.000 0.226 263 D C 1.364 177.670 176.300 0.010 0.000 1.066 263 D CA 0.328 54.329 54.000 0.001 0.000 0.861 263 D CB -1.001 39.788 40.800 -0.017 0.000 0.912 263 D HN 1.048 nan 8.370 nan 0.000 0.521 264 G N 0.670 109.485 108.800 0.025 0.000 2.186 264 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.266 264 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.266 264 G C 0.710 175.618 174.900 0.014 0.000 0.982 264 G CA 0.711 45.825 45.100 0.024 0.000 0.670 264 G HN 0.349 nan 8.290 nan 0.000 0.533 265 D N 0.994 121.399 120.400 0.008 0.000 2.157 265 D HA -0.064 4.575 4.640 -0.000 0.000 0.197 265 D C 0.808 177.113 176.300 0.008 0.000 0.995 265 D CA 1.323 55.325 54.000 0.004 0.000 0.860 265 D CB -0.159 40.639 40.800 -0.003 0.000 1.016 265 D HN 0.461 nan 8.370 nan 0.000 0.452 266 D N 0.664 121.072 120.400 0.013 0.000 2.441 266 D HA 0.421 5.061 4.640 -0.000 0.000 0.221 266 D C 0.934 177.250 176.300 0.027 0.000 1.156 266 D CA 0.280 54.291 54.000 0.017 0.000 0.896 266 D CB 0.805 41.616 40.800 0.019 0.000 1.028 266 D HN 0.317 nan 8.370 nan 0.000 0.509 267 G N 2.676 111.485 108.800 0.015 0.000 2.728 267 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.294 267 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.294 267 G C -0.312 174.597 174.900 0.015 0.000 1.342 267 G CA -0.936 44.170 45.100 0.010 0.000 0.866 267 G HN 0.444 nan 8.290 nan 0.000 0.534 268 E N 1.152 121.355 120.200 0.004 0.000 2.404 268 E HA 0.312 4.662 4.350 -0.000 0.000 0.261 268 E C -2.114 174.502 176.600 0.027 0.000 1.074 268 E CA -1.089 55.315 56.400 0.006 0.000 0.917 268 E CB 0.444 30.138 29.700 -0.009 0.000 0.965 268 E HN 0.272 nan 8.360 nan 0.000 0.433 269 P HA -0.054 nan 4.420 nan 0.000 0.265 269 P C -1.020 176.306 177.300 0.043 0.000 1.193 269 P CA 0.672 63.803 63.100 0.052 0.000 0.765 269 P CB 0.468 32.189 31.700 0.035 0.000 0.823 270 Q N 1.381 121.234 119.800 0.089 0.000 2.433 270 Q HA 0.488 4.828 4.340 -0.000 0.000 0.279 270 Q C -0.663 175.358 176.000 0.035 0.000 1.105 270 Q CA -1.093 54.706 55.803 -0.007 0.000 0.815 270 Q CB 1.858 30.511 28.738 -0.141 0.000 1.403 270 Q HN 0.324 nan 8.270 nan 0.000 0.435 271 L N 1.996 123.166 121.223 -0.088 0.000 2.319 271 L HA 0.340 4.680 4.340 -0.000 0.000 0.280 271 L C -0.894 175.866 176.870 -0.184 0.000 1.099 271 L CA 0.078 54.880 54.840 -0.063 0.000 0.828 271 L CB 0.080 42.065 42.059 -0.124 0.000 1.150 271 L HN 0.411 nan 8.230 nan 0.000 0.442 272 F N 1.196 121.119 119.950 -0.045 0.000 2.458 272 F HA 0.222 4.749 4.527 -0.000 0.000 0.336 272 F C 0.445 176.235 175.800 -0.016 0.000 1.114 272 F CA -0.872 57.112 58.000 -0.027 0.000 0.987 272 F CB 1.385 40.383 39.000 -0.004 0.000 1.130 272 F HN 0.360 nan 8.300 nan 0.000 0.458 273 D N 4.277 124.761 120.400 0.141 0.000 2.352 273 D HA 0.155 4.795 4.640 -0.000 0.000 0.245 273 D C 0.243 176.633 176.300 0.150 0.000 1.224 273 D CA 0.208 54.295 54.000 0.146 0.000 0.879 273 D CB 0.616 41.520 40.800 0.172 0.000 1.057 273 D HN 0.534 nan 8.370 nan 0.000 0.491 274 L N 3.179 124.472 121.223 0.116 0.000 2.783 274 L HA 0.045 4.385 4.340 -0.000 0.000 0.236 274 L C 1.848 178.768 176.870 0.083 0.000 1.225 274 L CA -0.098 54.791 54.840 0.081 0.000 1.026 274 L CB -0.166 41.926 42.059 0.054 0.000 1.314 274 L HN 0.317 nan 8.230 nan 0.000 0.489 275 S N -0.955 114.820 115.700 0.125 0.000 2.527 275 S HA 0.345 4.815 4.470 -0.000 0.000 0.222 275 S C 0.722 175.501 174.600 0.299 0.000 0.985 275 S CA 0.233 58.575 58.200 0.237 0.000 0.921 275 S CB 0.330 63.726 63.200 0.326 0.000 0.772 275 S HN 0.343 nan 8.310 nan 0.000 0.529 276 A N -0.280 122.627 122.820 0.146 0.000 2.536 276 A HA 0.684 5.004 4.320 -0.000 0.000 0.293 276 A C -0.265 177.295 177.584 -0.040 0.000 1.119 276 A CA -0.578 51.504 52.037 0.075 0.000 0.654 276 A CB -0.128 18.905 19.000 0.054 0.000 1.291 276 A HN 0.266 nan 8.150 nan 0.000 0.439 277 H N -0.599 118.575 119.070 0.174 0.000 2.370 277 H HA 0.304 4.859 4.556 -0.000 0.000 0.304 277 H C 0.815 176.205 175.328 0.104 0.000 1.055 277 H CA 1.798 57.949 56.048 0.172 0.000 1.373 277 H CB 0.490 30.408 29.762 0.261 0.000 1.423 277 H HN 0.619 nan 8.280 nan 0.000 0.533 278 T N 0.634 115.309 114.554 0.202 0.000 2.900 278 T HA 0.543 4.893 4.350 -0.000 0.000 0.295 278 T C -1.301 173.440 174.700 0.069 0.000 1.044 278 T CA -0.623 61.544 62.100 0.113 0.000 0.995 278 T CB 1.012 69.931 68.868 0.085 0.000 1.072 278 T HN 0.133 nan 8.240 nan 0.000 0.473 279 V N 1.871 121.807 119.914 0.037 0.000 3.040 279 V HA 1.029 5.149 4.120 -0.000 0.000 0.312 279 V C -1.192 174.973 176.094 0.118 0.000 1.115 279 V CA -1.251 61.010 62.300 -0.066 0.000 0.998 279 V CB 1.527 33.220 31.823 -0.217 0.000 1.042 279 V HN 1.095 nan 8.190 nan 0.000 0.433 280 W N 1.886 123.174 121.300 -0.020 0.000 2.902 280 W HA 0.932 5.592 4.660 -0.000 0.000 0.346 280 W C -1.607 174.908 176.519 -0.008 0.000 1.139 280 W CA -1.359 55.981 57.345 -0.008 0.000 1.139 280 W CB 1.177 30.643 29.460 0.011 0.000 1.439 280 W HN 0.494 nan 8.180 nan 0.000 0.558 281 I N 3.000 123.674 120.570 0.173 0.000 2.378 281 I HA 0.473 4.643 4.170 -0.000 0.000 0.291 281 I C 0.873 177.067 176.117 0.127 0.000 0.992 281 I CA -0.816 60.513 61.300 0.048 0.000 1.154 281 I CB 0.455 38.475 38.000 0.034 0.000 1.315 281 I HN 0.816 nan 8.210 nan 0.000 0.448 282 G N 4.094 112.919 108.800 0.042 0.000 2.580 282 G HA2 0.186 4.145 3.960 -0.000 0.000 0.278 282 G HA3 0.186 4.145 3.960 -0.000 0.000 0.278 282 G C 0.758 175.637 174.900 -0.036 0.000 1.212 282 G CA -0.240 44.889 45.100 0.049 0.000 0.939 282 G HN 0.672 nan 8.290 nan 0.000 0.513 283 E N -0.006 120.170 120.200 -0.040 0.000 2.130 283 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 283 E C 2.410 178.992 176.600 -0.031 0.000 0.998 283 E CA 1.009 57.389 56.400 -0.034 0.000 0.806 283 E CB 0.052 29.735 29.700 -0.028 0.000 0.738 283 E HN 0.459 nan 8.360 nan 0.000 0.459 284 R N -0.296 120.171 120.500 -0.055 0.000 2.300 284 R HA 0.024 4.363 4.340 -0.000 0.000 0.199 284 R C 1.441 177.685 176.300 -0.094 0.000 0.920 284 R CA 1.044 57.110 56.100 -0.056 0.000 1.046 284 R CB 0.370 30.636 30.300 -0.058 0.000 0.984 284 R HN 0.096 nan 8.270 nan 0.000 0.493 285 T N -2.404 112.059 114.554 -0.151 0.000 3.170 285 T HA 0.107 4.457 4.350 -0.000 0.000 0.288 285 T C 0.975 175.603 174.700 -0.119 0.000 0.992 285 T CA -0.629 61.309 62.100 -0.270 0.000 0.909 285 T CB 0.149 68.585 68.868 -0.721 0.000 1.133 285 T HN 0.215 nan 8.240 nan 0.000 0.530 286 R N 0.830 121.318 120.500 -0.020 0.000 2.449 286 R HA 0.336 4.676 4.340 -0.000 0.000 0.262 286 R C -0.384 176.040 176.300 0.207 0.000 1.006 286 R CA -0.563 55.583 56.100 0.076 0.000 1.104 286 R CB -0.528 29.760 30.300 -0.020 0.000 1.206 286 R HN 0.207 nan 8.270 nan 0.000 0.538 287 Q N 1.028 120.910 119.800 0.137 0.000 2.308 287 Q HA -0.089 4.251 4.340 -0.000 0.000 0.313 287 Q C 0.923 177.010 176.000 0.145 0.000 1.075 287 Q CA 0.098 55.977 55.803 0.126 0.000 0.995 287 Q CB 0.578 29.369 28.738 0.088 0.000 1.107 287 Q HN 0.309 nan 8.270 nan 0.000 0.380 288 I N 2.068 122.692 120.570 0.090 0.000 2.264 288 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 288 I C 0.615 176.752 176.117 0.034 0.000 1.111 288 I CA 1.719 63.031 61.300 0.019 0.000 1.382 288 I CB 0.182 38.090 38.000 -0.154 0.000 1.060 288 I HN 0.638 nan 8.210 nan 0.000 0.418 289 D N 0.672 121.092 120.400 0.032 0.000 2.388 289 D HA 0.229 4.869 4.640 -0.000 0.000 0.221 289 D C 0.652 176.984 176.300 0.053 0.000 1.133 289 D CA 0.264 54.284 54.000 0.032 0.000 0.831 289 D CB -0.032 40.776 40.800 0.014 0.000 0.962 289 D HN 0.367 nan 8.370 nan 0.000 0.502 290 G N -0.217 108.633 108.800 0.084 0.000 2.502 290 G HA2 0.409 4.369 3.960 -0.000 0.000 0.305 290 G HA3 0.409 4.369 3.960 -0.000 0.000 0.305 290 G C 1.092 176.056 174.900 0.108 0.000 1.190 290 G CA -0.068 45.094 45.100 0.103 0.000 0.933 290 G HN 0.051 nan 8.290 nan 0.000 0.503 291 A N -0.501 122.369 122.820 0.083 0.000 1.933 291 A HA -0.046 4.273 4.320 -0.000 0.000 0.218 291 A C 1.990 179.579 177.584 0.008 0.000 1.175 291 A CA 2.043 54.089 52.037 0.015 0.000 0.628 291 A CB -0.750 18.202 19.000 -0.080 0.000 0.814 291 A HN 0.764 nan 8.150 nan 0.000 0.444 292 H N -0.291 118.821 119.070 0.069 0.000 2.293 292 H HA -0.058 4.498 4.556 -0.000 0.000 0.300 292 H C 1.958 177.370 175.328 0.141 0.000 1.082 292 H CA 1.756 57.852 56.048 0.080 0.000 1.308 292 H CB -0.131 29.647 29.762 0.026 0.000 1.375 292 H HN 0.339 nan 8.280 nan 0.000 0.495 293 I N 0.595 121.313 120.570 0.246 0.000 2.226 293 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 293 I C 2.544 178.751 176.117 0.149 0.000 1.100 293 I CA 1.306 62.723 61.300 0.195 0.000 1.374 293 I CB -1.339 36.791 38.000 0.216 0.000 1.057 293 I HN 0.297 nan 8.210 nan 0.000 0.413 294 A N 0.306 123.205 122.820 0.132 0.000 1.933 294 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 294 A C 2.296 179.937 177.584 0.095 0.000 1.175 294 A CA 1.245 53.336 52.037 0.090 0.000 0.628 294 A CB -1.007 18.036 19.000 0.073 0.000 0.814 294 A HN 0.379 nan 8.150 nan 0.000 0.444 295 F N 0.921 120.866 119.950 -0.008 0.000 2.134 295 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 295 F C 2.503 178.297 175.800 -0.011 0.000 1.097 295 F CA 1.243 59.230 58.000 -0.022 0.000 1.264 295 F CB -0.300 38.669 39.000 -0.051 0.000 1.001 295 F HN 0.243 nan 8.300 nan 0.000 0.479 296 A N -0.203 122.710 122.820 0.155 0.000 1.972 296 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 296 A C 2.099 179.657 177.584 -0.044 0.000 1.169 296 A CA 1.755 53.826 52.037 0.057 0.000 0.635 296 A CB -0.802 18.267 19.000 0.115 0.000 0.810 296 A HN 0.607 nan 8.150 nan 0.000 0.446 297 Q N -0.752 119.031 119.800 -0.029 0.000 2.224 297 Q HA -0.076 4.264 4.340 -0.000 0.000 0.203 297 Q C 1.916 177.856 176.000 -0.100 0.000 0.970 297 Q CA 1.403 57.179 55.803 -0.045 0.000 0.865 297 Q CB -0.165 28.562 28.738 -0.018 0.000 0.922 297 Q HN 0.521 nan 8.270 nan 0.000 0.445 298 V N 1.272 121.079 119.914 -0.177 0.000 2.649 298 V HA -0.032 4.088 4.120 -0.000 0.000 0.248 298 V C 1.273 177.198 176.094 -0.282 0.000 1.054 298 V CA 0.609 62.776 62.300 -0.222 0.000 1.073 298 V CB -0.248 31.413 31.823 -0.270 0.000 0.699 298 V HN 0.330 nan 8.190 nan 0.000 0.463 299 I N -1.689 118.675 120.570 -0.344 0.000 2.612 299 I HA 0.598 4.768 4.170 -0.000 0.000 0.295 299 I C 1.168 177.094 176.117 -0.318 0.000 1.011 299 I CA -0.159 60.932 61.300 -0.349 0.000 1.326 299 I CB 1.459 39.253 38.000 -0.344 0.000 1.427 299 I HN -0.043 nan 8.210 nan 0.000 0.537 300 A N 3.702 126.224 122.820 -0.497 0.000 2.178 300 A HA 0.143 4.463 4.320 -0.000 0.000 0.211 300 A C 0.723 178.099 177.584 -0.346 0.000 1.157 300 A CA 0.063 51.743 52.037 -0.595 0.000 0.780 300 A CB -0.978 17.207 19.000 -1.359 0.000 0.828 300 A HN 0.874 nan 8.150 nan 0.000 0.476 301 N N 1.327 119.906 118.700 -0.202 0.000 2.441 301 N HA 0.310 5.050 4.740 -0.000 0.000 0.251 301 N C -2.840 172.658 175.510 -0.020 0.000 1.242 301 N CA -0.885 52.154 53.050 -0.018 0.000 0.898 301 N CB -0.218 38.295 38.487 0.043 0.000 1.100 301 N HN 0.097 nan 8.380 nan 0.000 0.443 302 P HA 0.013 nan 4.420 nan 0.000 0.266 302 P C -0.650 176.659 177.300 0.014 0.000 1.195 302 P CA -0.153 62.944 63.100 -0.005 0.000 0.768 302 P CB 0.536 32.224 31.700 -0.021 0.000 0.838 303 V N 0.220 120.141 119.914 0.012 0.000 3.040 303 V HA 1.002 5.122 4.120 -0.000 0.000 0.312 303 V C -0.200 175.916 176.094 0.036 0.000 1.115 303 V CA -0.869 61.457 62.300 0.042 0.000 0.998 303 V CB 2.046 33.893 31.823 0.040 0.000 1.042 303 V HN 0.644 nan 8.190 nan 0.000 0.433 304 G N 0.345 109.201 108.800 0.093 0.000 2.533 304 G HA2 0.694 4.653 3.960 -0.000 0.000 0.304 304 G HA3 0.694 4.653 3.960 -0.000 0.000 0.304 304 G C -1.598 173.348 174.900 0.078 0.000 1.263 304 G CA -0.869 44.271 45.100 0.067 0.000 0.964 304 G HN 1.149 nan 8.290 nan 0.000 0.479 305 V N 1.889 121.784 119.914 -0.031 0.000 2.531 305 V HA 0.393 4.513 4.120 -0.000 0.000 0.301 305 V C -0.601 175.426 176.094 -0.111 0.000 1.034 305 V CA -1.294 60.938 62.300 -0.113 0.000 0.865 305 V CB 1.861 33.465 31.823 -0.366 0.000 0.995 305 V HN 0.600 nan 8.190 nan 0.000 0.424 306 K N 5.128 125.485 120.400 -0.071 0.000 2.368 306 K HA 0.478 4.797 4.320 -0.000 0.000 0.282 306 K C -0.779 175.773 176.600 -0.080 0.000 1.035 306 K CA 0.033 56.270 56.287 -0.083 0.000 0.973 306 K CB 0.994 33.446 32.500 -0.080 0.000 0.957 306 K HN 0.523 nan 8.250 nan 0.000 0.474 307 L N 2.354 123.558 121.223 -0.032 0.000 2.316 307 L HA 0.397 4.737 4.340 -0.000 0.000 0.280 307 L C 0.835 177.725 176.870 0.032 0.000 1.006 307 L CA -0.790 54.059 54.840 0.016 0.000 0.836 307 L CB 1.761 43.865 42.059 0.076 0.000 1.221 307 L HN 0.643 nan 8.230 nan 0.000 0.418 308 G N 2.272 111.090 108.800 0.031 0.000 2.557 308 G HA2 0.456 4.416 3.960 -0.000 0.000 0.302 308 G HA3 0.456 4.416 3.960 -0.000 0.000 0.302 308 G C -1.838 173.082 174.900 0.033 0.000 1.311 308 G CA -1.084 44.034 45.100 0.030 0.000 1.030 308 G HN 0.413 nan 8.290 nan 0.000 0.509 309 P HA -0.097 nan 4.420 nan 0.000 0.228 309 P C 0.963 178.272 177.300 0.015 0.000 1.151 309 P CA 0.813 63.917 63.100 0.007 0.000 0.770 309 P CB 0.115 31.808 31.700 -0.010 0.000 0.786 310 N N -0.890 117.828 118.700 0.029 0.000 2.336 310 N HA -0.006 4.733 4.740 -0.000 0.000 0.189 310 N C 0.483 176.020 175.510 0.046 0.000 1.113 310 N CA -0.164 52.905 53.050 0.032 0.000 0.858 310 N CB -0.672 37.836 38.487 0.034 0.000 0.970 310 N HN 0.015 nan 8.380 nan 0.000 0.471 311 M N 2.511 122.145 119.600 0.058 0.000 2.252 311 M HA 0.083 4.563 4.480 -0.000 0.000 0.348 311 M C 0.003 176.341 176.300 0.064 0.000 1.334 311 M CA -0.033 55.317 55.300 0.084 0.000 1.071 311 M CB 0.483 33.145 32.600 0.105 0.000 1.763 311 M HN 0.263 nan 8.290 nan 0.000 0.452 312 T N 3.296 117.890 114.554 0.066 0.000 2.929 312 T HA 0.591 4.941 4.350 -0.000 0.000 0.284 312 T C -2.178 172.558 174.700 0.060 0.000 1.014 312 T CA -1.769 60.358 62.100 0.045 0.000 1.051 312 T CB 1.107 69.991 68.868 0.027 0.000 1.028 312 T HN 0.513 nan 8.240 nan 0.000 0.485 313 P HA -0.097 nan 4.420 nan 0.000 0.216 313 P C 1.164 178.494 177.300 0.051 0.000 1.153 313 P CA 1.124 64.258 63.100 0.057 0.000 0.858 313 P CB 0.097 31.817 31.700 0.033 0.000 0.789 314 E N -0.795 119.420 120.200 0.024 0.000 2.051 314 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 314 E C 1.875 178.463 176.600 -0.021 0.000 0.991 314 E CA 0.767 57.168 56.400 0.002 0.000 0.799 314 E CB -1.309 28.386 29.700 -0.009 0.000 0.748 314 E HN 0.096 nan 8.360 nan 0.000 0.449 315 L N 0.619 121.829 121.223 -0.021 0.000 2.046 315 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 315 L C 2.058 178.907 176.870 -0.035 0.000 1.077 315 L CA 1.978 56.765 54.840 -0.088 0.000 0.747 315 L CB -0.897 41.133 42.059 -0.050 0.000 0.896 315 L HN 0.128 nan 8.230 nan 0.000 0.432 316 A N -1.130 121.767 122.820 0.129 0.000 1.908 316 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 316 A C 2.275 179.939 177.584 0.133 0.000 1.181 316 A CA 2.185 54.362 52.037 0.234 0.000 0.627 316 A CB -1.163 17.975 19.000 0.229 0.000 0.818 316 A HN 0.308 nan 8.150 nan 0.000 0.445 317 V N -0.067 119.879 119.914 0.054 0.000 2.343 317 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 317 V C 2.586 178.642 176.094 -0.062 0.000 1.051 317 V CA 2.435 64.731 62.300 -0.006 0.000 1.036 317 V CB -0.754 31.068 31.823 -0.003 0.000 0.654 317 V HN 0.722 nan 8.190 nan 0.000 0.451 318 E N -0.284 119.857 120.200 -0.098 0.000 2.085 318 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 318 E C 2.003 178.509 176.600 -0.156 0.000 0.994 318 E CA 1.678 57.981 56.400 -0.161 0.000 0.801 318 E CB -0.404 29.156 29.700 -0.232 0.000 0.743 318 E HN 0.660 nan 8.360 nan 0.000 0.453 319 Y N -0.344 119.931 120.300 -0.042 0.000 2.128 319 Y HA -0.202 4.348 4.550 -0.000 0.000 0.284 319 Y C 2.416 178.262 175.900 -0.089 0.000 1.154 319 Y CA 1.315 59.388 58.100 -0.046 0.000 1.149 319 Y CB -0.858 37.587 38.460 -0.026 0.000 0.976 319 Y HN -0.036 nan 8.280 nan 0.000 0.505 320 V N 0.019 119.946 119.914 0.021 0.000 2.295 320 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 320 V C 2.044 177.990 176.094 -0.247 0.000 1.049 320 V CA 2.168 64.380 62.300 -0.148 0.000 1.024 320 V CB -0.543 31.136 31.823 -0.239 0.000 0.648 320 V HN 0.421 nan 8.190 nan 0.000 0.447 321 E N -0.467 119.602 120.200 -0.220 0.000 2.152 321 E HA -0.148 4.201 4.350 -0.000 0.000 0.192 321 E C 2.489 179.028 176.600 -0.101 0.000 0.983 321 E CA 0.780 57.068 56.400 -0.187 0.000 0.818 321 E CB -0.093 29.529 29.700 -0.130 0.000 0.758 321 E HN 0.522 nan 8.360 nan 0.000 0.467 322 R N 0.131 120.590 120.500 -0.067 0.000 2.075 322 R HA 0.031 4.370 4.340 -0.000 0.000 0.226 322 R C 2.184 178.473 176.300 -0.019 0.000 1.114 322 R CA 0.757 56.836 56.100 -0.036 0.000 0.972 322 R CB 0.015 30.310 30.300 -0.009 0.000 0.869 322 R HN 0.168 nan 8.270 nan 0.000 0.437 323 L N -0.343 120.880 121.223 -0.000 0.000 2.513 323 L HA 0.073 4.413 4.340 -0.000 0.000 0.222 323 L C 0.467 177.335 176.870 -0.004 0.000 1.096 323 L CA 0.352 55.197 54.840 0.009 0.000 0.857 323 L CB 0.272 42.353 42.059 0.036 0.000 1.026 323 L HN -0.002 nan 8.230 nan 0.000 0.469 324 D N -0.188 120.201 120.400 -0.018 0.000 2.963 324 D HA 0.120 4.760 4.640 -0.000 0.000 0.361 324 D C -1.499 174.850 176.300 0.081 0.000 1.317 324 D CA -1.765 52.261 54.000 0.044 0.000 0.832 324 D CB 0.576 41.428 40.800 0.087 0.000 1.135 324 D HN -0.050 nan 8.370 nan 0.000 0.476 325 P HA -0.130 nan 4.420 nan 0.000 0.220 325 P C 0.511 177.679 177.300 -0.219 0.000 1.148 325 P CA 1.088 64.094 63.100 -0.157 0.000 0.803 325 P CB 0.099 31.599 31.700 -0.333 0.000 0.782 326 H N -1.761 117.345 119.070 0.059 0.000 2.551 326 H HA 0.159 4.715 4.556 -0.000 0.000 0.271 326 H C 0.310 175.629 175.328 -0.016 0.000 0.984 326 H CA -0.219 55.838 56.048 0.016 0.000 1.164 326 H CB -0.404 29.356 29.762 -0.004 0.000 1.437 326 H HN -0.040 nan 8.280 nan 0.000 0.550 327 N N 2.094 120.836 118.700 0.069 0.000 2.641 327 N HA -0.180 4.560 4.740 -0.000 0.000 0.267 327 N C -1.354 174.148 175.510 -0.013 0.000 1.087 327 N CA 0.278 53.274 53.050 -0.090 0.000 0.731 327 N CB -0.606 37.661 38.487 -0.366 0.000 0.886 327 N HN 0.248 nan 8.380 nan 0.000 0.547 328 K N 1.754 122.181 120.400 0.044 0.000 2.404 328 K HA 0.401 4.721 4.320 -0.000 0.000 0.257 328 K C -2.417 174.189 176.600 0.010 0.000 1.026 328 K CA -1.669 54.632 56.287 0.023 0.000 0.951 328 K CB 1.179 33.700 32.500 0.034 0.000 1.203 328 K HN 0.202 nan 8.250 nan 0.000 0.446 329 P HA -0.081 nan 4.420 nan 0.000 0.261 329 P C 0.879 178.164 177.300 -0.026 0.000 1.173 329 P CA 1.118 64.207 63.100 -0.018 0.000 0.760 329 P CB 0.455 32.140 31.700 -0.024 0.000 0.783 330 G N 3.358 112.133 108.800 -0.041 0.000 2.199 330 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.254 330 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.254 330 G C 1.302 176.174 174.900 -0.048 0.000 0.982 330 G CA 0.524 45.592 45.100 -0.053 0.000 0.632 330 G HN 0.610 nan 8.290 nan 0.000 0.529 331 R N -0.027 120.456 120.500 -0.029 0.000 2.096 331 R HA 0.242 4.582 4.340 -0.000 0.000 0.235 331 R C 1.034 177.315 176.300 -0.032 0.000 1.127 331 R CA 1.811 57.899 56.100 -0.021 0.000 0.968 331 R CB -0.249 30.053 30.300 0.004 0.000 0.861 331 R HN 0.805 nan 8.270 nan 0.000 0.440 332 L N 0.532 121.724 121.223 -0.050 0.000 2.362 332 L HA 0.488 4.828 4.340 -0.000 0.000 0.275 332 L C -1.349 175.444 176.870 -0.130 0.000 0.998 332 L CA -0.213 54.581 54.840 -0.076 0.000 0.820 332 L CB 2.345 44.357 42.059 -0.078 0.000 1.270 332 L HN 0.070 nan 8.230 nan 0.000 0.415 333 T N 6.009 120.492 114.554 -0.118 0.000 2.779 333 T HA 0.562 4.912 4.350 -0.000 0.000 0.280 333 T C -0.370 174.239 174.700 -0.152 0.000 0.987 333 T CA -0.329 61.681 62.100 -0.150 0.000 0.966 333 T CB 0.897 69.704 68.868 -0.103 0.000 0.933 333 T HN 0.413 nan 8.240 nan 0.000 0.442 334 L N 3.457 124.549 121.223 -0.218 0.000 2.272 334 L HA 0.534 4.874 4.340 -0.000 0.000 0.289 334 L C -0.437 176.450 176.870 0.029 0.000 1.032 334 L CA -1.010 53.754 54.840 -0.126 0.000 0.810 334 L CB 1.346 43.265 42.059 -0.234 0.000 1.205 334 L HN 0.367 nan 8.230 nan 0.000 0.422 335 V N 2.237 122.158 119.914 0.011 0.000 2.277 335 V HA 0.143 4.263 4.120 -0.000 0.000 0.269 335 V C 0.534 176.648 176.094 0.034 0.000 1.036 335 V CA -0.367 61.930 62.300 -0.004 0.000 0.821 335 V CB 1.114 32.875 31.823 -0.103 0.000 1.052 335 V HN 0.798 nan 8.190 nan 0.000 0.462 336 S N 5.380 121.151 115.700 0.118 0.000 2.488 336 S HA 0.446 4.916 4.470 -0.000 0.000 0.278 336 S C 0.242 174.858 174.600 0.028 0.000 1.259 336 S CA -0.563 57.714 58.200 0.128 0.000 1.061 336 S CB -0.091 63.272 63.200 0.272 0.000 0.910 336 S HN 0.837 nan 8.310 nan 0.000 0.491 337 R N 4.606 125.122 120.500 0.027 0.000 2.607 337 R HA 0.407 4.747 4.340 -0.000 0.000 0.278 337 R C -0.042 176.277 176.300 0.033 0.000 1.637 337 R CA -0.393 55.718 56.100 0.019 0.000 1.325 337 R CB 0.050 30.361 30.300 0.018 0.000 1.211 337 R HN 0.434 nan 8.270 nan 0.000 0.565 338 M N 0.528 120.145 119.600 0.029 0.000 2.567 338 M HA 0.366 4.846 4.480 -0.000 0.000 0.261 338 M C 0.479 176.763 176.300 -0.026 0.000 1.180 338 M CA 0.746 56.046 55.300 -0.000 0.000 1.143 338 M CB -0.078 32.514 32.600 -0.012 0.000 1.319 338 M HN 0.867 nan 8.290 nan 0.000 0.490 339 G N 2.502 111.320 108.800 0.029 0.000 2.788 339 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 339 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 339 G C 0.329 175.289 174.900 0.099 0.000 1.147 339 G CA -0.070 45.095 45.100 0.108 0.000 0.755 339 G HN 0.410 nan 8.290 nan 0.000 0.634 340 N N 0.922 119.752 118.700 0.217 0.000 2.244 340 N HA -0.197 4.543 4.740 -0.000 0.000 0.183 340 N C 1.684 177.288 175.510 0.156 0.000 1.016 340 N CA 2.264 55.404 53.050 0.150 0.000 0.866 340 N CB -0.495 38.062 38.487 0.116 0.000 0.980 340 N HN 1.013 nan 8.380 nan 0.000 0.430 341 H N -0.155 118.924 119.070 0.016 0.000 2.524 341 H HA 0.200 4.756 4.556 -0.000 0.000 0.282 341 H C 0.818 176.153 175.328 0.011 0.000 1.016 341 H CA 0.619 56.673 56.048 0.010 0.000 1.270 341 H CB -0.087 29.678 29.762 0.005 0.000 1.394 341 H HN 0.310 nan 8.280 nan 0.000 0.568 342 K N 0.159 120.346 120.400 -0.354 0.000 2.399 342 K HA 0.122 4.442 4.320 -0.000 0.000 0.196 342 K C 2.053 178.580 176.600 -0.121 0.000 1.103 342 K CA 0.525 56.647 56.287 -0.275 0.000 0.986 342 K CB 0.695 32.964 32.500 -0.384 0.000 0.952 342 K HN 0.020 nan 8.250 nan 0.000 0.541 343 V N 2.275 122.148 119.914 -0.068 0.000 2.324 343 V HA -0.295 3.824 4.120 -0.000 0.000 0.250 343 V C 1.921 177.993 176.094 -0.037 0.000 1.060 343 V CA 1.894 64.184 62.300 -0.017 0.000 1.042 343 V CB -0.215 31.640 31.823 0.053 0.000 0.650 343 V HN 0.245 nan 8.190 nan 0.000 0.450 344 R N -0.401 120.080 120.500 -0.033 0.000 2.148 344 R HA -0.094 4.246 4.340 -0.000 0.000 0.227 344 R C 1.933 178.193 176.300 -0.067 0.000 1.103 344 R CA 1.646 57.717 56.100 -0.049 0.000 0.983 344 R CB -0.260 30.026 30.300 -0.024 0.000 0.874 344 R HN 0.585 nan 8.270 nan 0.000 0.451 345 D N 0.111 120.475 120.400 -0.061 0.000 2.201 345 D HA -0.006 4.633 4.640 -0.000 0.000 0.209 345 D C 1.890 178.151 176.300 -0.066 0.000 0.961 345 D CA 0.874 54.838 54.000 -0.059 0.000 0.861 345 D CB 0.196 40.967 40.800 -0.049 0.000 0.997 345 D HN 0.162 nan 8.370 nan 0.000 0.486 346 L N 0.243 121.425 121.223 -0.067 0.000 2.307 346 L HA 0.023 4.362 4.340 -0.000 0.000 0.211 346 L C 2.207 179.036 176.870 -0.068 0.000 1.099 346 L CA 0.168 54.974 54.840 -0.057 0.000 0.816 346 L CB 0.011 42.043 42.059 -0.046 0.000 0.952 346 L HN 0.005 nan 8.230 nan 0.000 0.455 347 L N 0.763 121.927 121.223 -0.099 0.000 2.095 347 L HA 0.046 4.386 4.340 -0.000 0.000 0.204 347 L C -0.528 176.195 176.870 -0.245 0.000 1.080 347 L CA 1.607 56.354 54.840 -0.156 0.000 0.759 347 L CB -1.277 40.675 42.059 -0.178 0.000 0.914 347 L HN 0.004 nan 8.230 nan 0.000 0.439 348 P HA -0.137 nan 4.420 nan 0.000 0.215 348 P C -1.423 175.767 177.300 -0.182 0.000 1.157 348 P CA 2.094 65.045 63.100 -0.248 0.000 0.874 348 P CB -1.286 30.304 31.700 -0.184 0.000 0.790 349 P HA -0.099 nan 4.420 nan 0.000 0.218 349 P C 1.579 178.850 177.300 -0.048 0.000 1.149 349 P CA 1.287 64.346 63.100 -0.069 0.000 0.817 349 P CB -0.486 31.188 31.700 -0.043 0.000 0.785 350 I N -0.848 119.691 120.570 -0.052 0.000 2.202 350 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 350 I C 2.445 178.568 176.117 0.010 0.000 1.091 350 I CA 1.181 62.492 61.300 0.019 0.000 1.368 350 I CB -0.846 37.188 38.000 0.058 0.000 1.058 350 I HN -0.204 nan 8.210 nan 0.000 0.410 351 V N 0.803 120.560 119.914 -0.261 0.000 2.295 351 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 351 V C 2.398 178.445 176.094 -0.077 0.000 1.049 351 V CA 1.967 63.996 62.300 -0.450 0.000 1.024 351 V CB -0.736 30.557 31.823 -0.883 0.000 0.648 351 V HN 0.434 nan 8.190 nan 0.000 0.447 352 E N -0.018 120.127 120.200 -0.091 0.000 2.070 352 E HA -0.318 4.031 4.350 -0.000 0.000 0.197 352 E C 2.260 178.885 176.600 0.043 0.000 1.004 352 E CA 1.694 58.081 56.400 -0.021 0.000 0.805 352 E CB -0.186 29.489 29.700 -0.041 0.000 0.744 352 E HN 0.398 nan 8.360 nan 0.000 0.451 353 K N 0.683 121.113 120.400 0.051 0.000 2.057 353 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 353 K C 1.952 178.620 176.600 0.114 0.000 1.050 353 K CA 0.722 57.050 56.287 0.069 0.000 0.935 353 K CB -0.175 32.359 32.500 0.056 0.000 0.715 353 K HN -0.063 nan 8.250 nan 0.000 0.439 354 V N 1.097 121.125 119.914 0.189 0.000 2.358 354 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 354 V C 2.292 178.529 176.094 0.239 0.000 1.047 354 V CA 1.573 64.016 62.300 0.239 0.000 1.035 354 V CB -0.445 31.622 31.823 0.406 0.000 0.658 354 V HN 0.389 nan 8.190 nan 0.000 0.452 355 Q N 0.016 119.976 119.800 0.268 0.000 2.124 355 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 355 Q C 2.396 178.480 176.000 0.140 0.000 0.977 355 Q CA 1.802 57.734 55.803 0.215 0.000 0.850 355 Q CB -0.673 28.175 28.738 0.183 0.000 0.901 355 Q HN 0.652 nan 8.270 nan 0.000 0.429 356 A N 1.049 123.935 122.820 0.111 0.000 2.125 356 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 356 A C 2.241 179.880 177.584 0.090 0.000 1.156 356 A CA 1.842 53.927 52.037 0.081 0.000 0.671 356 A CB -0.730 18.305 19.000 0.059 0.000 0.794 356 A HN 0.543 nan 8.150 nan 0.000 0.459 357 T N -4.050 110.577 114.554 0.122 0.000 2.962 357 T HA 0.263 4.613 4.350 -0.000 0.000 0.270 357 T C 1.654 176.469 174.700 0.190 0.000 1.088 357 T CA 1.315 63.516 62.100 0.168 0.000 1.127 357 T CB -0.434 68.552 68.868 0.197 0.000 0.883 357 T HN 1.679 nan 8.240 nan 0.000 0.493 358 G N 0.904 109.785 108.800 0.135 0.000 2.179 358 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.260 358 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.260 358 G C 0.068 174.974 174.900 0.009 0.000 0.977 358 G CA 0.268 45.401 45.100 0.056 0.000 0.641 358 G HN 0.760 nan 8.290 nan 0.000 0.533 359 H N 0.479 119.560 119.070 0.018 0.000 2.551 359 H HA 0.397 4.952 4.556 -0.000 0.000 0.358 359 H C 0.227 175.552 175.328 -0.006 0.000 1.151 359 H CA 0.282 56.329 56.048 -0.002 0.000 1.374 359 H CB 0.664 30.417 29.762 -0.016 0.000 1.473 359 H HN 0.358 nan 8.280 nan 0.000 0.574 360 Q N 2.278 122.125 119.800 0.078 0.000 2.456 360 Q HA 0.276 4.616 4.340 -0.000 0.000 0.252 360 Q C -0.216 175.751 176.000 -0.056 0.000 1.042 360 Q CA -0.622 55.191 55.803 0.016 0.000 0.766 360 Q CB 1.780 30.521 28.738 0.004 0.000 1.196 360 Q HN 0.411 nan 8.270 nan 0.000 0.504 361 V N -0.149 119.659 119.914 -0.178 0.000 2.997 361 V HA 0.548 4.668 4.120 -0.000 0.000 0.311 361 V C 0.140 176.006 176.094 -0.381 0.000 1.066 361 V CA -0.856 61.241 62.300 -0.339 0.000 1.039 361 V CB 0.993 32.455 31.823 -0.602 0.000 1.081 361 V HN 0.552 nan 8.190 nan 0.000 0.467 362 I N 1.672 122.049 120.570 -0.322 0.000 2.342 362 I HA 0.280 4.450 4.170 -0.000 0.000 0.291 362 I C -0.651 175.279 176.117 -0.311 0.000 1.010 362 I CA 0.085 61.253 61.300 -0.218 0.000 1.308 362 I CB 0.920 38.842 38.000 -0.129 0.000 1.400 362 I HN 0.688 nan 8.210 nan 0.000 0.488 363 W N 6.497 127.800 121.300 0.003 0.000 2.332 363 W HA 0.424 5.084 4.660 -0.000 0.000 0.306 363 W C 0.184 176.789 176.519 0.144 0.000 1.149 363 W CA -0.354 57.044 57.345 0.090 0.000 1.271 363 W CB 0.568 30.051 29.460 0.039 0.000 1.243 363 W HN 0.408 nan 8.180 nan 0.000 0.459 364 Q N 3.437 123.413 119.800 0.293 0.000 2.353 364 Q HA 0.446 4.786 4.340 -0.000 0.000 0.268 364 Q C -1.030 174.829 176.000 -0.234 0.000 1.045 364 Q CA -0.760 55.025 55.803 -0.031 0.000 0.811 364 Q CB 2.135 30.805 28.738 -0.113 0.000 1.305 364 Q HN 0.626 nan 8.270 nan 0.000 0.447 365 C N 3.681 122.531 119.300 -0.750 0.000 2.285 365 C HA 0.382 4.842 4.460 -0.000 0.000 0.335 365 C C -0.488 174.286 174.990 -0.359 0.000 1.267 365 C CA -0.384 58.123 59.018 -0.851 0.000 1.762 365 C CB 0.268 27.131 27.740 -1.461 0.000 2.365 365 C HN 0.820 nan 8.230 nan 0.000 0.527 366 D N 7.443 127.713 120.400 -0.216 0.000 2.467 366 D HA 0.330 4.970 4.640 -0.000 0.000 0.220 366 D C -1.626 174.615 176.300 -0.099 0.000 1.103 366 D CA -2.082 51.834 54.000 -0.141 0.000 0.886 366 D CB 1.349 42.058 40.800 -0.151 0.000 1.025 366 D HN 0.476 nan 8.370 nan 0.000 0.514 367 P HA 0.058 nan 4.420 nan 0.000 0.257 367 P C 0.929 178.190 177.300 -0.064 0.000 1.325 367 P CA 0.012 63.074 63.100 -0.064 0.000 0.850 367 P CB 0.357 32.018 31.700 -0.065 0.000 1.324 368 M N -0.882 118.650 119.600 -0.113 0.000 2.398 368 M HA 0.059 4.539 4.480 -0.000 0.000 0.261 368 M C 1.750 177.917 176.300 -0.221 0.000 1.125 368 M CA 1.582 56.754 55.300 -0.212 0.000 1.183 368 M CB -1.652 30.698 32.600 -0.417 0.000 1.322 368 M HN 0.101 nan 8.290 nan 0.000 0.467 369 H N -0.136 118.910 119.070 -0.041 0.000 2.547 369 H HA 0.140 4.696 4.556 -0.000 0.000 0.272 369 H C 1.983 177.320 175.328 0.015 0.000 0.989 369 H CA 1.105 57.142 56.048 -0.019 0.000 1.214 369 H CB -0.227 29.503 29.762 -0.053 0.000 1.389 369 H HN 0.488 nan 8.280 nan 0.000 0.577 370 G N -0.523 108.337 108.800 0.099 0.000 2.939 370 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.210 370 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.210 370 G C 0.572 175.548 174.900 0.127 0.000 1.160 370 G CA -0.141 45.022 45.100 0.106 0.000 0.770 370 G HN 0.240 nan 8.290 nan 0.000 0.543 371 N N 1.170 119.926 118.700 0.093 0.000 2.660 371 N HA 0.150 4.890 4.740 -0.000 0.000 0.316 371 N C -0.775 174.810 175.510 0.125 0.000 1.774 371 N CA 0.035 53.152 53.050 0.110 0.000 0.946 371 N CB 1.265 39.808 38.487 0.092 0.000 1.322 371 N HN -0.071 nan 8.380 nan 0.000 0.492 372 T N 0.854 115.483 114.554 0.125 0.000 2.859 372 T HA 0.363 4.713 4.350 -0.000 0.000 0.281 372 T C -0.047 174.770 174.700 0.195 0.000 1.005 372 T CA -0.466 61.711 62.100 0.127 0.000 1.025 372 T CB 1.718 70.633 68.868 0.078 0.000 0.977 372 T HN 0.377 nan 8.240 nan 0.000 0.458 373 H N 0.390 119.503 119.070 0.071 0.000 2.943 373 H HA 0.551 5.107 4.556 -0.000 0.000 0.323 373 H C -1.384 173.991 175.328 0.078 0.000 1.296 373 H CA -1.009 55.078 56.048 0.065 0.000 1.155 373 H CB 1.412 31.206 29.762 0.054 0.000 1.882 373 H HN 0.423 nan 8.280 nan 0.000 0.553 374 E N 1.238 121.483 120.200 0.075 0.000 2.171 374 E HA 0.269 4.619 4.350 -0.000 0.000 0.271 374 E C -0.044 176.606 176.600 0.083 0.000 0.916 374 E CA -0.622 55.784 56.400 0.010 0.000 0.774 374 E CB 2.344 32.063 29.700 0.032 0.000 1.128 374 E HN 0.706 nan 8.360 nan 0.000 0.403 380 K N 1.961 122.387 120.400 0.044 0.000 2.436 380 K HA 0.411 4.731 4.320 -0.000 0.000 0.282 380 K C -0.075 176.619 176.600 0.156 0.000 1.044 380 K CA 0.482 56.829 56.287 0.100 0.000 1.028 380 K CB 0.880 33.479 32.500 0.164 0.000 0.919 380 K HN 0.644 nan 8.250 nan 0.000 0.474 381 T N 2.768 117.297 114.554 -0.041 0.000 2.841 381 T HA 0.567 4.917 4.350 -0.000 0.000 0.296 381 T C -1.506 173.095 174.700 -0.165 0.000 1.166 381 T CA -0.907 61.147 62.100 -0.076 0.000 1.007 381 T CB 0.956 69.756 68.868 -0.112 0.000 1.253 381 T HN 0.569 nan 8.240 nan 0.000 0.511 382 R N 1.414 121.899 120.500 -0.025 0.000 2.673 382 R HA 0.406 4.746 4.340 -0.000 0.000 0.281 382 R C -1.067 175.342 176.300 0.181 0.000 0.991 382 R CA -0.983 55.180 56.100 0.106 0.000 0.896 382 R CB 1.300 31.638 30.300 0.064 0.000 1.201 382 R HN 0.566 nan 8.270 nan 0.000 0.457 383 H N 2.961 122.178 119.070 0.244 0.000 2.580 383 H HA 0.055 4.611 4.556 -0.000 0.000 0.322 383 H C 0.347 175.785 175.328 0.183 0.000 1.082 383 H CA -0.094 56.086 56.048 0.219 0.000 1.383 383 H CB 0.836 30.712 29.762 0.190 0.000 1.450 383 H HN 0.617 nan 8.280 nan 0.000 0.505 384 F N 3.995 124.020 119.950 0.123 0.000 2.161 384 F HA -0.226 4.301 4.527 -0.000 0.000 0.300 384 F C 1.520 177.456 175.800 0.227 0.000 1.089 384 F CA 1.615 59.700 58.000 0.140 0.000 1.282 384 F CB 0.272 39.308 39.000 0.059 0.000 1.010 384 F HN 0.552 nan 8.300 nan 0.000 0.485 385 D N -0.166 120.503 120.400 0.449 0.000 2.183 385 D HA -0.088 4.551 4.640 -0.000 0.000 0.203 385 D C 2.361 178.680 176.300 0.031 0.000 0.969 385 D CA 0.876 54.973 54.000 0.163 0.000 0.842 385 D CB -0.267 40.615 40.800 0.136 0.000 0.957 385 D HN 0.371 nan 8.370 nan 0.000 0.484 386 R N 0.140 120.683 120.500 0.071 0.000 2.090 386 R HA 0.056 4.396 4.340 -0.000 0.000 0.228 386 R C 2.476 178.781 176.300 0.008 0.000 1.110 386 R CA 0.444 56.569 56.100 0.041 0.000 0.973 386 R CB -0.100 30.244 30.300 0.072 0.000 0.869 386 R HN 0.218 nan 8.270 nan 0.000 0.440 387 I N 0.311 120.860 120.570 -0.035 0.000 2.127 387 I HA -0.293 3.877 4.170 -0.000 0.000 0.241 387 I C 2.297 178.328 176.117 -0.144 0.000 1.075 387 I CA 1.348 62.588 61.300 -0.099 0.000 1.334 387 I CB -0.401 37.510 38.000 -0.150 0.000 1.040 387 I HN -0.034 nan 8.210 nan 0.000 0.405 388 V N 0.906 120.660 119.914 -0.267 0.000 2.332 388 V HA -0.352 3.768 4.120 -0.000 0.000 0.248 388 V C 2.183 178.241 176.094 -0.061 0.000 1.055 388 V CA 2.462 64.632 62.300 -0.216 0.000 1.038 388 V CB -0.707 30.939 31.823 -0.295 0.000 0.651 388 V HN 0.481 nan 8.190 nan 0.000 0.450 389 D N -0.425 119.957 120.400 -0.030 0.000 2.178 389 D HA -0.206 4.434 4.640 -0.000 0.000 0.202 389 D C 2.191 178.526 176.300 0.059 0.000 0.974 389 D CA 1.356 55.370 54.000 0.024 0.000 0.841 389 D CB -0.033 40.784 40.800 0.029 0.000 0.953 389 D HN 0.578 nan 8.370 nan 0.000 0.478 390 E N -0.654 119.578 120.200 0.053 0.000 2.106 390 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 390 E C 1.969 178.651 176.600 0.137 0.000 0.984 390 E CA 0.955 57.404 56.400 0.082 0.000 0.806 390 E CB 0.161 29.893 29.700 0.054 0.000 0.750 390 E HN 0.149 nan 8.360 nan 0.000 0.458 391 V N 0.961 120.944 119.914 0.115 0.000 2.358 391 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 391 V C 2.496 178.822 176.094 0.388 0.000 1.047 391 V CA 1.949 64.388 62.300 0.232 0.000 1.035 391 V CB -0.707 31.207 31.823 0.152 0.000 0.658 391 V HN 0.298 nan 8.190 nan 0.000 0.452 392 Q N 1.355 121.280 119.800 0.209 0.000 2.061 392 Q HA -0.146 4.194 4.340 -0.000 0.000 0.204 392 Q C 2.195 178.334 176.000 0.231 0.000 0.984 392 Q CA 2.490 58.403 55.803 0.184 0.000 0.846 392 Q CB -1.073 27.718 28.738 0.088 0.000 0.902 392 Q HN 0.534 nan 8.270 nan 0.000 0.421 393 G N -0.556 108.356 108.800 0.186 0.000 2.418 393 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.217 393 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.217 393 G C 1.327 176.325 174.900 0.164 0.000 1.158 393 G CA 0.666 45.850 45.100 0.140 0.000 0.771 393 G HN 0.474 nan 8.290 nan 0.000 0.545 394 F N 0.692 120.692 119.950 0.083 0.000 2.095 394 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 394 F C 2.279 178.130 175.800 0.087 0.000 1.104 394 F CA 1.453 59.487 58.000 0.057 0.000 1.232 394 F CB -0.214 38.852 39.000 0.110 0.000 0.987 394 F HN 0.116 nan 8.300 nan 0.000 0.475 395 F N 1.156 121.240 119.950 0.223 0.000 2.134 395 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 395 F C 2.408 178.209 175.800 0.002 0.000 1.097 395 F CA 1.998 60.064 58.000 0.111 0.000 1.264 395 F CB -0.774 38.319 39.000 0.155 0.000 1.001 395 F HN 0.036 nan 8.300 nan 0.000 0.479 396 E N -0.291 120.005 120.200 0.160 0.000 2.085 396 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 396 E C 2.345 178.900 176.600 -0.076 0.000 0.994 396 E CA 1.561 57.989 56.400 0.047 0.000 0.801 396 E CB -0.429 29.296 29.700 0.043 0.000 0.743 396 E HN 0.157 nan 8.360 nan 0.000 0.453 397 V N 1.382 121.182 119.914 -0.190 0.000 2.287 397 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 397 V C 2.181 178.003 176.094 -0.454 0.000 1.053 397 V CA 1.972 64.054 62.300 -0.362 0.000 1.027 397 V CB -0.613 30.891 31.823 -0.532 0.000 0.646 397 V HN 0.373 nan 8.190 nan 0.000 0.447 398 H N -0.215 118.623 119.070 -0.386 0.000 2.357 398 H HA -0.029 4.527 4.556 -0.000 0.000 0.301 398 H C 2.599 177.808 175.328 -0.198 0.000 1.082 398 H CA 1.292 57.112 56.048 -0.380 0.000 1.342 398 H CB -0.131 29.299 29.762 -0.554 0.000 1.389 398 H HN 0.265 nan 8.280 nan 0.000 0.511 399 R N 1.022 121.513 120.500 -0.014 0.000 2.094 399 R HA -0.077 4.263 4.340 -0.000 0.000 0.239 399 R C 2.457 178.748 176.300 -0.014 0.000 1.137 399 R CA 1.229 57.339 56.100 0.018 0.000 0.943 399 R CB -1.234 29.096 30.300 0.049 0.000 0.850 399 R HN 0.342 nan 8.270 nan 0.000 0.433 400 A N 0.561 123.352 122.820 -0.048 0.000 1.972 400 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 400 A C 2.257 179.803 177.584 -0.063 0.000 1.169 400 A CA 1.234 53.238 52.037 -0.055 0.000 0.635 400 A CB -0.402 18.553 19.000 -0.075 0.000 0.810 400 A HN 0.246 nan 8.150 nan 0.000 0.446 401 L N -1.756 119.412 121.223 -0.091 0.000 2.529 401 L HA 0.224 4.564 4.340 -0.000 0.000 0.223 401 L C 1.672 178.523 176.870 -0.031 0.000 1.113 401 L CA 0.501 55.292 54.840 -0.081 0.000 0.861 401 L CB -0.058 41.913 42.059 -0.145 0.000 1.012 401 L HN 0.555 nan 8.230 nan 0.000 0.461 402 G N 0.909 109.703 108.800 -0.011 0.000 2.153 402 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.252 402 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.252 402 G C 0.387 175.315 174.900 0.046 0.000 0.994 402 G CA 0.518 45.630 45.100 0.020 0.000 0.698 402 G HN 0.396 nan 8.290 nan 0.000 0.521 403 T N -2.840 111.746 114.554 0.054 0.000 2.862 403 T HA 0.569 4.919 4.350 -0.000 0.000 0.276 403 T C -0.035 174.711 174.700 0.076 0.000 0.974 403 T CA -0.261 61.904 62.100 0.108 0.000 0.966 403 T CB 1.979 70.925 68.868 0.130 0.000 1.072 403 T HN 0.526 nan 8.240 nan 0.000 0.538 404 H N 2.091 121.124 119.070 -0.062 0.000 2.594 404 H HA 0.405 4.961 4.556 -0.000 0.000 0.304 404 H C -2.503 172.521 175.328 -0.506 0.000 1.068 404 H CA -2.347 53.609 56.048 -0.153 0.000 1.308 404 H CB 0.757 30.510 29.762 -0.016 0.000 1.409 404 H HN 0.298 nan 8.280 nan 0.000 0.460 405 P HA 0.140 nan 4.420 nan 0.000 0.277 405 P C 0.717 177.610 177.300 -0.679 0.000 1.354 405 P CA 0.000 62.464 63.100 -1.060 0.000 0.891 405 P CB 0.888 31.843 31.700 -1.243 0.000 1.058 406 G N 2.334 110.875 108.800 -0.432 0.000 2.683 406 G HA2 0.401 4.361 3.960 -0.000 0.000 0.213 406 G HA3 0.401 4.361 3.960 -0.000 0.000 0.213 406 G C 0.569 175.087 174.900 -0.637 0.000 1.142 406 G CA 0.365 45.216 45.100 -0.415 0.000 0.793 406 G HN 0.755 nan 8.290 nan 0.000 0.534 407 G N -0.649 107.721 108.800 -0.717 0.000 2.322 407 G HA2 0.452 4.412 3.960 -0.000 0.000 0.295 407 G HA3 0.452 4.412 3.960 -0.000 0.000 0.295 407 G C -1.589 172.989 174.900 -0.538 0.000 1.369 407 G CA -0.379 44.030 45.100 -1.151 0.000 0.821 407 G HN 0.765 nan 8.290 nan 0.000 0.536 408 I N -2.528 117.816 120.570 -0.377 0.000 2.828 408 I HA 0.815 4.985 4.170 -0.000 0.000 0.302 408 I C -0.999 175.048 176.117 -0.117 0.000 1.101 408 I CA -1.116 60.081 61.300 -0.171 0.000 1.031 408 I CB 2.670 40.676 38.000 0.010 0.000 1.231 408 I HN 0.709 nan 8.210 nan 0.000 0.427 409 H N 4.549 123.497 119.070 -0.203 0.000 2.906 409 H HA 0.725 5.281 4.556 -0.000 0.000 0.324 409 H C -1.429 173.812 175.328 -0.146 0.000 0.973 409 H CA -0.792 55.135 56.048 -0.203 0.000 1.321 409 H CB 1.679 31.259 29.762 -0.303 0.000 1.535 409 H HN 0.704 nan 8.280 nan 0.000 0.518 410 V N 1.501 121.524 119.914 0.182 0.000 3.074 410 V HA 0.526 4.646 4.120 -0.000 0.000 0.314 410 V C -0.429 175.721 176.094 0.093 0.000 1.117 410 V CA -1.086 61.255 62.300 0.068 0.000 1.014 410 V CB 2.234 34.073 31.823 0.027 0.000 1.057 410 V HN 0.768 nan 8.190 nan 0.000 0.438 411 E N 2.948 123.160 120.200 0.020 0.000 2.113 411 E HA 0.706 5.056 4.350 -0.000 0.000 0.273 411 E C -0.653 175.953 176.600 0.010 0.000 0.924 411 E CA -0.378 56.038 56.400 0.027 0.000 0.764 411 E CB 1.962 31.659 29.700 -0.006 0.000 1.104 411 E HN 0.809 nan 8.360 nan 0.000 0.406 412 I N -0.801 119.780 120.570 0.018 0.000 3.174 412 I HA 0.761 4.931 4.170 -0.000 0.000 0.313 412 I C -0.753 175.358 176.117 -0.010 0.000 1.155 412 I CA -0.667 60.633 61.300 -0.001 0.000 0.977 412 I CB 2.738 40.735 38.000 -0.004 0.000 1.248 412 I HN 0.333 nan 8.210 nan 0.000 0.453 413 T N 0.897 115.435 114.554 -0.027 0.000 2.889 413 T HA 0.494 4.843 4.350 -0.000 0.000 0.315 413 T C 0.510 175.168 174.700 -0.070 0.000 1.291 413 T CA 0.045 62.121 62.100 -0.041 0.000 1.028 413 T CB 1.576 70.460 68.868 0.028 0.000 1.235 413 T HN 1.004 nan 8.240 nan 0.000 0.491 414 G N 1.501 110.233 108.800 -0.113 0.000 2.744 414 G HA2 0.103 4.063 3.960 -0.000 0.000 0.211 414 G HA3 0.103 4.063 3.960 -0.000 0.000 0.211 414 G C 0.362 175.213 174.900 -0.082 0.000 1.143 414 G CA 0.178 45.205 45.100 -0.121 0.000 0.788 414 G HN 0.670 nan 8.290 nan 0.000 0.534 415 E N 0.695 120.876 120.200 -0.033 0.000 2.383 415 E HA 0.020 4.370 4.350 -0.000 0.000 0.264 415 E C -0.369 176.211 176.600 -0.033 0.000 1.050 415 E CA -0.462 55.931 56.400 -0.011 0.000 0.896 415 E CB 0.781 30.499 29.700 0.029 0.000 0.982 415 E HN 0.027 nan 8.360 nan 0.000 0.424 416 N N 2.105 120.785 118.700 -0.033 0.000 3.254 416 N HA 0.014 4.753 4.740 -0.000 0.000 0.308 416 N C -0.416 175.067 175.510 -0.044 0.000 1.281 416 N CA -0.162 52.867 53.050 -0.035 0.000 1.212 416 N CB -0.476 37.994 38.487 -0.027 0.000 1.478 416 N HN 0.288 nan 8.380 nan 0.000 0.548 417 V N -0.761 119.119 119.914 -0.056 0.000 3.264 417 V HA 0.522 4.642 4.120 -0.000 0.000 0.304 417 V C 0.644 176.686 176.094 -0.086 0.000 1.086 417 V CA -0.473 61.779 62.300 -0.080 0.000 1.090 417 V CB 0.955 32.708 31.823 -0.117 0.000 1.112 417 V HN 0.458 nan 8.190 nan 0.000 0.472 418 T N -1.275 113.218 114.554 -0.101 0.000 3.327 418 T HA 0.575 4.925 4.350 -0.000 0.000 0.373 418 T C -0.006 174.638 174.700 -0.094 0.000 1.589 418 T CA -0.315 61.730 62.100 -0.093 0.000 1.497 418 T CB 0.421 69.236 68.868 -0.090 0.000 1.032 418 T HN 0.839 nan 8.240 nan 0.000 0.640 419 E N 0.216 120.345 120.200 -0.118 0.000 2.399 419 E HA 0.215 4.565 4.350 -0.000 0.000 0.206 419 E C 0.059 176.651 176.600 -0.014 0.000 0.812 419 E CA -0.159 56.158 56.400 -0.137 0.000 1.138 419 E CB 0.704 30.183 29.700 -0.369 0.000 1.140 419 E HN 0.545 nan 8.360 nan 0.000 0.536 420 C N 2.307 121.586 119.300 -0.036 0.000 2.341 420 C HA 0.427 4.887 4.460 -0.000 0.000 0.338 420 C C 0.451 175.406 174.990 -0.057 0.000 1.257 420 C CA -0.931 58.080 59.018 -0.012 0.000 1.883 420 C CB 0.112 27.873 27.740 0.034 0.000 2.334 420 C HN 0.305 nan 8.230 nan 0.000 0.524 421 L N 3.520 124.681 121.223 -0.103 0.000 2.439 421 L HA 0.526 4.866 4.340 -0.000 0.000 0.269 421 L C 1.164 177.786 176.870 -0.412 0.000 1.179 421 L CA 1.288 55.985 54.840 -0.239 0.000 0.828 421 L CB -0.064 41.841 42.059 -0.257 0.000 1.106 421 L HN 1.110 nan 8.230 nan 0.000 0.467 422 G N 1.428 110.032 108.800 -0.327 0.000 2.499 422 G HA2 0.244 4.204 3.960 -0.000 0.000 0.232 422 G HA3 0.244 4.204 3.960 -0.000 0.000 0.232 422 G C 0.119 174.883 174.900 -0.227 0.000 1.251 422 G CA -0.362 44.614 45.100 -0.207 0.000 0.917 422 G HN 1.566 nan 8.290 nan 0.000 0.580 423 G N -2.059 106.501 108.800 -0.400 0.000 2.828 423 G HA2 0.362 4.322 3.960 -0.000 0.000 0.463 423 G HA3 0.362 4.322 3.960 -0.000 0.000 0.463 423 G C 1.321 176.047 174.900 -0.289 0.000 1.394 423 G CA 1.450 46.093 45.100 -0.762 0.000 0.862 423 G HN 2.489 nan 8.290 nan 0.000 0.540 424 A N -0.825 121.872 122.820 -0.204 0.000 2.024 424 A HA -0.037 4.283 4.320 -0.000 0.000 0.220 424 A C 2.249 179.793 177.584 -0.067 0.000 1.164 424 A CA 2.429 54.426 52.037 -0.067 0.000 0.643 424 A CB -0.381 18.620 19.000 0.003 0.000 0.806 424 A HN 0.827 nan 8.150 nan 0.000 0.451 425 Q N -1.179 118.571 119.800 -0.084 0.000 2.436 425 Q HA -0.050 4.290 4.340 -0.000 0.000 0.209 425 Q C -0.030 175.935 176.000 -0.059 0.000 0.965 425 Q CA 0.398 56.163 55.803 -0.064 0.000 0.910 425 Q CB -0.058 28.642 28.738 -0.063 0.000 0.980 425 Q HN 0.616 nan 8.270 nan 0.000 0.491 426 D N 0.623 120.983 120.400 -0.066 0.000 2.802 426 D HA -0.180 4.460 4.640 -0.000 0.000 0.229 426 D C -0.991 175.283 176.300 -0.042 0.000 1.203 426 D CA 0.182 54.160 54.000 -0.038 0.000 0.712 426 D CB -0.633 40.165 40.800 -0.005 0.000 0.973 426 D HN 0.123 nan 8.370 nan 0.000 0.407 427 I N 1.528 122.054 120.570 -0.073 0.000 2.664 427 I HA -0.001 4.169 4.170 -0.000 0.000 0.284 427 I C 1.528 177.613 176.117 -0.052 0.000 1.154 427 I CA 0.180 61.439 61.300 -0.069 0.000 1.402 427 I CB -0.436 37.512 38.000 -0.087 0.000 1.395 427 I HN 0.322 nan 8.210 nan 0.000 0.545 428 S N 5.529 121.212 115.700 -0.028 0.000 2.707 428 S HA 0.343 4.813 4.470 -0.000 0.000 0.276 428 S C 0.954 175.552 174.600 -0.003 0.000 1.179 428 S CA -0.711 57.489 58.200 0.001 0.000 0.992 428 S CB 1.689 64.897 63.200 0.012 0.000 1.030 428 S HN 0.588 nan 8.310 nan 0.000 0.554 429 E N 0.552 120.771 120.200 0.032 0.000 2.110 429 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 429 E C 2.109 178.724 176.600 0.025 0.000 0.988 429 E CA 1.770 58.197 56.400 0.044 0.000 0.804 429 E CB -0.600 29.153 29.700 0.089 0.000 0.745 429 E HN 0.934 nan 8.360 nan 0.000 0.458 430 T N -0.085 114.484 114.554 0.025 0.000 2.867 430 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 430 T C 1.374 176.061 174.700 -0.021 0.000 1.057 430 T CA 1.121 63.235 62.100 0.023 0.000 1.136 430 T CB -0.187 68.697 68.868 0.027 0.000 0.874 430 T HN -0.070 nan 8.240 nan 0.000 0.466 431 D N 1.707 122.083 120.400 -0.041 0.000 2.178 431 D HA 0.004 4.644 4.640 -0.000 0.000 0.201 431 D C 2.081 178.299 176.300 -0.136 0.000 0.980 431 D CA 0.577 54.538 54.000 -0.067 0.000 0.842 431 D CB -0.444 40.322 40.800 -0.056 0.000 0.948 431 D HN 0.374 nan 8.370 nan 0.000 0.472 432 L N 0.677 121.768 121.223 -0.221 0.000 2.081 432 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 432 L C 2.397 178.860 176.870 -0.677 0.000 1.080 432 L CA 1.204 55.776 54.840 -0.445 0.000 0.754 432 L CB -0.492 41.187 42.059 -0.633 0.000 0.893 432 L HN 0.004 nan 8.230 nan 0.000 0.433 433 A N 0.104 122.612 122.820 -0.520 0.000 2.121 433 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 433 A C 2.357 179.915 177.584 -0.043 0.000 1.154 433 A CA 1.348 53.274 52.037 -0.186 0.000 0.679 433 A CB -0.897 18.178 19.000 0.124 0.000 0.795 433 A HN 0.457 nan 8.150 nan 0.000 0.458 434 G N -0.451 108.309 108.800 -0.068 0.000 2.414 434 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.215 434 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.215 434 G C 1.121 176.016 174.900 -0.008 0.000 1.188 434 G CA 0.429 45.514 45.100 -0.024 0.000 0.783 434 G HN 0.477 nan 8.290 nan 0.000 0.537 435 R N -0.982 119.503 120.500 -0.024 0.000 2.638 435 R HA 0.168 4.508 4.340 -0.000 0.000 0.261 435 R C -1.515 174.773 176.300 -0.020 0.000 1.515 435 R CA -0.482 55.609 56.100 -0.015 0.000 1.623 435 R CB 0.502 30.780 30.300 -0.035 0.000 1.347 435 R HN 0.332 nan 8.270 nan 0.000 0.705 436 Y N 1.443 121.686 120.300 -0.094 0.000 2.650 436 Y HA 0.122 4.672 4.550 -0.000 0.000 0.343 436 Y C 0.709 176.612 175.900 0.005 0.000 1.078 436 Y CA 0.365 58.423 58.100 -0.070 0.000 1.356 436 Y CB 0.467 38.859 38.460 -0.113 0.000 1.204 436 Y HN 0.301 nan 8.280 nan 0.000 0.508 437 E N 1.441 121.543 120.200 -0.163 0.000 2.490 437 E HA 0.006 4.356 4.350 -0.000 0.000 0.209 437 E C 0.533 177.016 176.600 -0.195 0.000 0.971 437 E CA -0.058 56.270 56.400 -0.121 0.000 0.988 437 E CB 0.581 30.207 29.700 -0.123 0.000 1.029 437 E HN 0.466 nan 8.360 nan 0.000 0.496 438 T N 0.261 114.649 114.554 -0.277 0.000 2.933 438 T HA 0.017 4.366 4.350 -0.000 0.000 0.306 438 T C 1.146 175.779 174.700 -0.113 0.000 1.045 438 T CA 0.371 62.355 62.100 -0.194 0.000 1.143 438 T CB 0.960 69.697 68.868 -0.218 0.000 1.003 438 T HN 0.191 nan 8.240 nan 0.000 0.540 439 A N 3.529 126.264 122.820 -0.142 0.000 2.168 439 A HA 0.197 4.517 4.320 -0.000 0.000 0.215 439 A C 1.849 179.624 177.584 0.319 0.000 1.152 439 A CA 0.985 52.959 52.037 -0.105 0.000 0.716 439 A CB -0.539 18.419 19.000 -0.070 0.000 0.794 439 A HN 0.915 nan 8.150 nan 0.000 0.465 440 C N -2.047 117.385 119.300 0.220 0.000 3.614 440 C HA 0.371 4.831 4.460 -0.000 0.000 0.095 440 C C -0.832 174.273 174.990 0.191 0.000 2.706 440 C CA -0.089 59.080 59.018 0.252 0.000 1.175 440 C CB -0.490 27.374 27.740 0.206 0.000 2.332 440 C HN 0.441 nan 8.230 nan 0.000 0.505 441 D N 2.905 123.386 120.400 0.135 0.000 2.313 441 D HA 0.324 4.964 4.640 -0.000 0.000 0.247 441 D C -2.433 173.878 176.300 0.019 0.000 1.094 441 D CA -0.874 53.185 54.000 0.099 0.000 0.925 441 D CB 0.537 41.380 40.800 0.071 0.000 1.188 441 D HN 0.351 nan 8.370 nan 0.000 0.430 442 P HA 0.105 nan 4.420 nan 0.000 0.267 442 P C -0.387 176.861 177.300 -0.085 0.000 1.205 442 P CA 0.010 63.061 63.100 -0.082 0.000 0.765 442 P CB 0.737 32.451 31.700 0.024 0.000 0.828 443 R N 2.305 122.735 120.500 -0.116 0.000 2.598 443 R HA 0.497 4.837 4.340 -0.000 0.000 0.279 443 R C 0.158 176.430 176.300 -0.048 0.000 0.984 443 R CA -1.169 54.891 56.100 -0.068 0.000 0.999 443 R CB 0.764 31.029 30.300 -0.058 0.000 1.114 443 R HN 0.436 nan 8.270 nan 0.000 0.493 444 L N 3.157 124.374 121.223 -0.009 0.000 2.455 444 L HA 0.046 4.386 4.340 -0.000 0.000 0.272 444 L C 0.595 177.459 176.870 -0.010 0.000 1.174 444 L CA -0.352 54.503 54.840 0.025 0.000 0.869 444 L CB -0.041 42.063 42.059 0.075 0.000 1.130 444 L HN 0.723 nan 8.230 nan 0.000 0.474 445 N N 0.529 119.215 118.700 -0.023 0.000 2.327 445 N HA 0.002 4.742 4.740 -0.000 0.000 0.257 445 N C 0.778 176.263 175.510 -0.042 0.000 1.281 445 N CA -0.261 52.765 53.050 -0.040 0.000 0.942 445 N CB 0.155 38.613 38.487 -0.049 0.000 1.199 445 N HN 0.501 nan 8.380 nan 0.000 0.532 446 T N -0.833 113.688 114.554 -0.054 0.000 2.699 446 T HA -0.200 4.149 4.350 -0.000 0.000 0.268 446 T C 1.481 176.118 174.700 -0.105 0.000 1.036 446 T CA 1.682 63.734 62.100 -0.080 0.000 1.147 446 T CB -0.291 68.522 68.868 -0.090 0.000 0.862 446 T HN 0.520 nan 8.240 nan 0.000 0.446 447 Q N -0.021 119.746 119.800 -0.055 0.000 2.079 447 Q HA -0.111 4.229 4.340 -0.000 0.000 0.200 447 Q C 2.591 178.553 176.000 -0.065 0.000 0.974 447 Q CA 1.416 57.207 55.803 -0.020 0.000 0.840 447 Q CB -0.144 28.690 28.738 0.161 0.000 0.898 447 Q HN 0.637 nan 8.270 nan 0.000 0.430 448 Q N 0.124 119.894 119.800 -0.050 0.000 2.124 448 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 448 Q C 2.322 178.400 176.000 0.129 0.000 0.977 448 Q CA 1.657 57.444 55.803 -0.027 0.000 0.850 448 Q CB -0.075 28.659 28.738 -0.006 0.000 0.901 448 Q HN 0.361 nan 8.270 nan 0.000 0.429 449 S N 0.538 116.260 115.700 0.036 0.000 2.368 449 S HA -0.149 4.320 4.470 -0.000 0.000 0.225 449 S C 1.896 176.474 174.600 -0.037 0.000 1.030 449 S CA 0.903 59.117 58.200 0.023 0.000 0.999 449 S CB -0.324 62.866 63.200 -0.018 0.000 0.844 449 S HN 0.282 nan 8.310 nan 0.000 0.459 450 L N 2.130 123.253 121.223 -0.166 0.000 2.072 450 L HA 0.142 4.482 4.340 -0.000 0.000 0.205 450 L C 2.585 179.365 176.870 -0.151 0.000 1.079 450 L CA 2.148 56.819 54.840 -0.281 0.000 0.752 450 L CB -1.144 40.520 42.059 -0.659 0.000 0.906 450 L HN 0.521 nan 8.230 nan 0.000 0.436 451 E N -0.816 119.316 120.200 -0.113 0.000 2.085 451 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 451 E C 2.208 178.896 176.600 0.148 0.000 0.994 451 E CA 1.567 57.974 56.400 0.012 0.000 0.801 451 E CB -0.245 29.540 29.700 0.142 0.000 0.743 451 E HN 0.425 nan 8.360 nan 0.000 0.453 452 L N 0.735 122.106 121.223 0.246 0.000 2.046 452 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 452 L C 2.259 179.155 176.870 0.043 0.000 1.077 452 L CA 2.127 57.059 54.840 0.154 0.000 0.747 452 L CB -0.738 41.380 42.059 0.099 0.000 0.896 452 L HN 0.189 nan 8.230 nan 0.000 0.432 453 A N -0.724 122.090 122.820 -0.010 0.000 1.892 453 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 453 A C 2.184 179.685 177.584 -0.137 0.000 1.188 453 A CA 2.249 54.228 52.037 -0.097 0.000 0.631 453 A CB -1.260 17.632 19.000 -0.180 0.000 0.822 453 A HN 0.487 nan 8.150 nan 0.000 0.447 454 F N -0.214 119.646 119.950 -0.151 0.000 2.134 454 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 454 F C 2.161 177.937 175.800 -0.040 0.000 1.097 454 F CA 1.484 59.397 58.000 -0.146 0.000 1.264 454 F CB -0.287 38.441 39.000 -0.454 0.000 1.001 454 F HN 0.106 nan 8.300 nan 0.000 0.479 455 L N -0.992 120.322 121.223 0.153 0.000 2.093 455 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 455 L C 2.223 179.093 176.870 0.000 0.000 1.085 455 L CA 0.593 55.517 54.840 0.139 0.000 0.755 455 L CB -0.673 41.480 42.059 0.157 0.000 0.904 455 L HN -0.031 nan 8.230 nan 0.000 0.435 456 V N -0.145 119.736 119.914 -0.055 0.000 2.453 456 V HA -0.184 3.935 4.120 -0.000 0.000 0.247 456 V C 2.738 178.684 176.094 -0.248 0.000 1.048 456 V CA 1.475 63.669 62.300 -0.177 0.000 1.049 456 V CB -0.744 31.034 31.823 -0.076 0.000 0.672 456 V HN 0.441 nan 8.190 nan 0.000 0.457 457 A N -0.127 122.601 122.820 -0.153 0.000 1.940 457 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 457 A C 2.182 179.714 177.584 -0.087 0.000 1.176 457 A CA 1.788 53.746 52.037 -0.132 0.000 0.631 457 A CB -0.376 18.579 19.000 -0.075 0.000 0.814 457 A HN 0.526 nan 8.150 nan 0.000 0.446 458 E N -0.460 119.721 120.200 -0.032 0.000 2.152 458 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 458 E C 2.036 178.574 176.600 -0.103 0.000 0.983 458 E CA 1.075 57.468 56.400 -0.012 0.000 0.818 458 E CB -0.405 29.334 29.700 0.065 0.000 0.758 458 E HN 0.759 nan 8.360 nan 0.000 0.467 459 M N 0.216 119.673 119.600 -0.239 0.000 2.117 459 M HA -0.124 4.355 4.480 -0.000 0.000 0.262 459 M C 2.388 178.454 176.300 -0.391 0.000 1.065 459 M CA 1.199 56.246 55.300 -0.421 0.000 1.114 459 M CB -0.344 31.723 32.600 -0.887 0.000 1.361 459 M HN 0.041 nan 8.290 nan 0.000 0.408 460 L N -0.429 120.567 121.223 -0.377 0.000 2.046 460 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 460 L C 2.589 179.431 176.870 -0.046 0.000 1.077 460 L CA 1.455 56.224 54.840 -0.119 0.000 0.747 460 L CB -0.478 41.473 42.059 -0.181 0.000 0.896 460 L HN 0.236 nan 8.230 nan 0.000 0.432 461 R N -0.593 119.868 120.500 -0.065 0.000 2.115 461 R HA -0.071 4.269 4.340 -0.000 0.000 0.226 461 R C 0.483 176.780 176.300 -0.005 0.000 1.100 461 R CA 0.450 56.532 56.100 -0.029 0.000 0.980 461 R CB -0.282 30.014 30.300 -0.008 0.000 0.875 461 R HN 0.269 nan 8.270 nan 0.000 0.445 462 D N 0.000 120.394 120.400 -0.009 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 54.008 54.000 0.013 0.000 0.868 462 D CB 0.000 40.826 40.800 0.044 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683