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 2w0b_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVALPRVSGG HDEHGHLEEF RTDPIGLMQR VRDELGDVGT FQLAGKQVVL DATA SEQUENCE LSGSHANEFF FRAGDDDLDQ AKAYPFMTPI FGEGVVFDAS PERRKEMLHN DATA SEQUENCE AALRGEQMKG HAATIEDQVR RMIADWGEAG EIDLLDFFAE LTIYTSSACL DATA SEQUENCE IGKKFRDQLD GRFAKLYHEL ERGTDPLAYV DPYLPIESFR RRDEARNGLV DATA SEQUENCE ALVADIMNGR IANXXXXXXX RDMLDVLIAV KAETGTPRFS ADEITGMFIS DATA SEQUENCE MMFAGHHTSS GTASWTLIEL MRHRDAYAAV IDELDELYGD GRSVSFHALR DATA SEQUENCE QIPQLENVLK ETLRLHPPLI ILMRVAKGEF EVQGHRIHEG DLVAASPAIS DATA SEQUENCE NRIPEDFPDP HDFVPARYEQ PRQEDLLNRW TWIPFGAGRH RCVGAAFAIM DATA SEQUENCE QIKAIFSVLL REYEFEMAQP PESYRNDHSK MVVQLAQPAA VRYRRRT 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.599 177.584 0.025 0.000 1.274 3 A CA 0.000 52.025 52.037 -0.019 0.000 0.836 3 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 4 V N 2.211 122.167 119.914 0.070 0.000 2.555 4 V HA 0.540 4.660 4.120 -0.001 0.000 0.286 4 V C 0.820 176.976 176.094 0.103 0.000 1.044 4 V CA 0.437 62.782 62.300 0.075 0.000 1.026 4 V CB 1.121 32.988 31.823 0.074 0.000 0.981 4 V HN 0.796 nan 8.190 nan 0.000 0.480 5 A N 6.144 129.010 122.820 0.076 0.000 2.310 5 A HA 0.676 4.996 4.320 -0.001 0.000 0.299 5 A C -0.230 177.400 177.584 0.077 0.000 1.147 5 A CA -0.573 51.509 52.037 0.075 0.000 0.818 5 A CB 0.371 19.400 19.000 0.048 0.000 1.096 5 A HN 0.805 nan 8.150 nan 0.000 0.495 6 L N 1.976 123.237 121.223 0.064 0.000 2.464 6 L HA 0.240 4.579 4.340 -0.001 0.000 0.264 6 L C -1.754 175.111 176.870 -0.007 0.000 1.199 6 L CA -1.573 53.282 54.840 0.025 0.000 0.818 6 L CB 0.179 42.223 42.059 -0.024 0.000 1.102 6 L HN 0.482 nan 8.230 nan 0.000 0.473 7 P HA 0.071 nan 4.420 nan 0.000 0.265 7 P C -0.994 176.284 177.300 -0.037 0.000 1.193 7 P CA -0.062 63.012 63.100 -0.044 0.000 0.765 7 P CB 0.488 32.127 31.700 -0.102 0.000 0.823 8 R N 3.257 123.759 120.500 0.003 0.000 2.534 8 R HA 0.486 4.825 4.340 -0.001 0.000 0.301 8 R C -1.214 175.109 176.300 0.038 0.000 0.961 8 R CA -1.121 54.995 56.100 0.027 0.000 0.871 8 R CB 0.803 31.141 30.300 0.063 0.000 1.170 8 R HN 0.265 nan 8.270 nan 0.000 0.446 9 V N 4.390 124.312 119.914 0.014 0.000 2.963 9 V HA 0.222 4.341 4.120 -0.001 0.000 0.306 9 V C 0.052 176.209 176.094 0.104 0.000 1.077 9 V CA 0.536 62.841 62.300 0.007 0.000 1.124 9 V CB 1.035 32.802 31.823 -0.092 0.000 0.987 9 V HN 1.104 nan 8.190 nan 0.000 0.487 10 S N 4.992 120.745 115.700 0.089 0.000 2.587 10 S HA 0.576 5.045 4.470 -0.001 0.000 0.260 10 S C 0.637 175.316 174.600 0.131 0.000 1.353 10 S CA 0.086 58.350 58.200 0.107 0.000 0.995 10 S CB 0.661 63.911 63.200 0.083 0.000 0.912 10 S HN 2.556 nan 8.310 nan 0.000 0.568 11 G N 0.583 109.373 108.800 -0.016 0.000 2.553 11 G HA2 0.321 4.281 3.960 -0.001 0.000 0.242 11 G HA3 0.321 4.281 3.960 -0.001 0.000 0.242 11 G C 0.725 175.146 174.900 -0.799 0.000 1.277 11 G CA 0.374 45.323 45.100 -0.253 0.000 0.910 11 G HN 2.574 nan 8.290 nan 0.000 0.576 12 G N -2.114 106.221 108.800 -0.775 0.000 2.182 12 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.248 12 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.248 12 G C 0.493 174.999 174.900 -0.656 0.000 1.042 12 G CA 1.299 45.709 45.100 -1.151 0.000 0.775 12 G HN 1.683 nan 8.290 nan 0.000 0.501 13 H N 0.215 119.180 119.070 -0.175 0.000 2.517 13 H HA 0.171 4.727 4.556 -0.001 0.000 0.282 13 H C 0.714 175.996 175.328 -0.076 0.000 1.023 13 H CA 0.249 56.237 56.048 -0.101 0.000 1.169 13 H CB 0.513 30.238 29.762 -0.062 0.000 1.454 13 H HN 0.452 nan 8.280 nan 0.000 0.556 14 D N 0.657 121.047 120.400 -0.016 0.000 2.451 14 D HA -0.037 4.602 4.640 -0.001 0.000 0.259 14 D C 1.550 177.824 176.300 -0.042 0.000 1.201 14 D CA -0.311 53.683 54.000 -0.010 0.000 1.028 14 D CB 1.428 42.230 40.800 0.003 0.000 1.095 14 D HN 0.213 nan 8.370 nan 0.000 0.539 15 E N -0.378 119.774 120.200 -0.080 0.000 2.085 15 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 15 E C 0.248 176.664 176.600 -0.306 0.000 0.994 15 E CA 1.341 57.612 56.400 -0.215 0.000 0.801 15 E CB -0.009 29.506 29.700 -0.307 0.000 0.743 15 E HN 0.419 nan 8.360 nan 0.000 0.453 16 H N -0.958 118.124 119.070 0.021 0.000 2.524 16 H HA 0.309 4.864 4.556 -0.001 0.000 0.297 16 H C 0.603 175.945 175.328 0.024 0.000 1.115 16 H CA -0.201 55.866 56.048 0.032 0.000 1.027 16 H CB 0.846 30.640 29.762 0.053 0.000 1.591 16 H HN 0.444 nan 8.280 nan 0.000 0.543 17 G N 0.779 109.603 108.800 0.040 0.000 2.557 17 G HA2 -0.427 3.533 3.960 -0.001 0.000 0.292 17 G HA3 -0.427 3.533 3.960 -0.001 0.000 0.292 17 G C 0.539 175.361 174.900 -0.131 0.000 1.162 17 G CA 0.584 45.645 45.100 -0.065 0.000 0.964 17 G HN 0.586 nan 8.290 nan 0.000 0.541 18 H N 0.741 119.861 119.070 0.084 0.000 2.539 18 H HA 0.368 4.923 4.556 -0.001 0.000 0.269 18 H C 2.216 177.625 175.328 0.136 0.000 0.980 18 H CA 0.601 56.702 56.048 0.088 0.000 1.152 18 H CB 0.329 30.169 29.762 0.130 0.000 1.407 18 H HN 0.391 nan 8.280 nan 0.000 0.564 19 L N 1.182 122.554 121.223 0.248 0.000 2.013 19 L HA -0.197 4.143 4.340 -0.001 0.000 0.212 19 L C 1.663 178.673 176.870 0.232 0.000 1.073 19 L CA 1.851 56.842 54.840 0.251 0.000 0.753 19 L CB -0.201 41.984 42.059 0.211 0.000 0.890 19 L HN 0.088 nan 8.230 nan 0.000 0.432 20 E N -0.088 120.214 120.200 0.170 0.000 2.058 20 E HA -0.269 4.080 4.350 -0.001 0.000 0.194 20 E C 2.204 178.865 176.600 0.101 0.000 0.997 20 E CA 1.706 58.177 56.400 0.119 0.000 0.801 20 E CB -0.298 29.453 29.700 0.084 0.000 0.746 20 E HN 0.697 nan 8.360 nan 0.000 0.450 21 E N -0.620 119.646 120.200 0.109 0.000 2.150 21 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 21 E C 1.660 178.306 176.600 0.077 0.000 0.985 21 E CA 0.522 56.968 56.400 0.078 0.000 0.814 21 E CB -0.135 29.616 29.700 0.084 0.000 0.752 21 E HN 0.259 nan 8.360 nan 0.000 0.466 22 F N 1.633 121.563 119.950 -0.033 0.000 2.269 22 F HA -0.088 4.438 4.527 -0.001 0.000 0.301 22 F C 2.333 178.115 175.800 -0.029 0.000 1.082 22 F CA 1.330 59.283 58.000 -0.078 0.000 1.360 22 F CB -0.013 38.965 39.000 -0.037 0.000 1.041 22 F HN -0.101 nan 8.300 nan 0.000 0.512 23 R N -0.368 120.146 120.500 0.024 0.000 2.062 23 R HA -0.102 4.237 4.340 -0.001 0.000 0.226 23 R C 2.248 178.504 176.300 -0.073 0.000 1.125 23 R CA 1.907 57.980 56.100 -0.046 0.000 0.966 23 R CB -0.588 29.728 30.300 0.027 0.000 0.861 23 R HN 0.397 nan 8.270 nan 0.000 0.433 24 T N -2.748 111.785 114.554 -0.035 0.000 3.014 24 T HA -0.066 4.284 4.350 -0.001 0.000 0.263 24 T C 0.444 175.119 174.700 -0.042 0.000 1.078 24 T CA 1.040 63.125 62.100 -0.026 0.000 1.135 24 T CB 0.190 69.056 68.868 -0.004 0.000 0.895 24 T HN 0.212 nan 8.240 nan 0.000 0.480 25 D N 1.222 121.571 120.400 -0.084 0.000 3.118 25 D HA 0.257 4.897 4.640 -0.001 0.000 0.259 25 D C -2.151 174.034 176.300 -0.191 0.000 1.292 25 D CA -1.627 52.307 54.000 -0.110 0.000 0.784 25 D CB 1.118 41.878 40.800 -0.065 0.000 1.413 25 D HN -0.005 nan 8.370 nan 0.000 0.583 26 P HA -0.089 nan 4.420 nan 0.000 0.217 26 P C 1.778 178.898 177.300 -0.299 0.000 1.150 26 P CA 0.657 63.492 63.100 -0.442 0.000 0.832 26 P CB 0.666 31.850 31.700 -0.860 0.000 0.787 27 I N -0.141 120.234 120.570 -0.326 0.000 2.252 27 I HA -0.119 4.051 4.170 -0.001 0.000 0.245 27 I C 2.734 178.749 176.117 -0.170 0.000 1.102 27 I CA 1.650 62.797 61.300 -0.255 0.000 1.385 27 I CB -1.293 36.514 38.000 -0.320 0.000 1.064 27 I HN -0.010 nan 8.210 nan 0.000 0.414 28 G N 1.255 109.964 108.800 -0.152 0.000 2.422 28 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.218 28 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.218 28 G C 1.655 176.491 174.900 -0.107 0.000 1.146 28 G CA 0.590 45.627 45.100 -0.104 0.000 0.769 28 G HN 0.247 nan 8.290 nan 0.000 0.547 29 L N 0.509 121.648 121.223 -0.140 0.000 1.994 29 L HA 0.063 4.402 4.340 -0.001 0.000 0.208 29 L C 2.835 179.572 176.870 -0.222 0.000 1.071 29 L CA 1.806 56.534 54.840 -0.186 0.000 0.745 29 L CB -0.462 41.450 42.059 -0.245 0.000 0.892 29 L HN 0.242 nan 8.230 nan 0.000 0.431 30 M N -1.285 118.188 119.600 -0.211 0.000 2.159 30 M HA -0.204 4.276 4.480 -0.001 0.000 0.263 30 M C 2.276 178.527 176.300 -0.082 0.000 1.063 30 M CA 1.695 56.906 55.300 -0.149 0.000 1.110 30 M CB -0.356 32.192 32.600 -0.087 0.000 1.374 30 M HN 0.350 nan 8.290 nan 0.000 0.411 31 Q N 0.717 120.471 119.800 -0.075 0.000 2.167 31 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 31 Q C 1.914 177.894 176.000 -0.033 0.000 0.970 31 Q CA 1.608 57.388 55.803 -0.039 0.000 0.855 31 Q CB -0.176 28.544 28.738 -0.030 0.000 0.911 31 Q HN 0.355 nan 8.270 nan 0.000 0.438 32 R N -0.986 119.483 120.500 -0.051 0.000 2.115 32 R HA -0.066 4.273 4.340 -0.001 0.000 0.230 32 R C 1.905 178.184 176.300 -0.036 0.000 1.111 32 R CA 1.166 57.244 56.100 -0.038 0.000 0.976 32 R CB -0.098 30.177 30.300 -0.040 0.000 0.870 32 R HN 0.208 nan 8.270 nan 0.000 0.445 33 V N 0.957 120.838 119.914 -0.055 0.000 2.287 33 V HA -0.287 3.832 4.120 -0.001 0.000 0.248 33 V C 2.525 178.610 176.094 -0.014 0.000 1.053 33 V CA 2.300 64.581 62.300 -0.033 0.000 1.027 33 V CB -0.605 31.212 31.823 -0.008 0.000 0.646 33 V HN 0.409 nan 8.190 nan 0.000 0.447 34 R N -0.145 120.350 120.500 -0.009 0.000 2.075 34 R HA -0.156 4.184 4.340 -0.001 0.000 0.232 34 R C 2.053 178.358 176.300 0.008 0.000 1.126 34 R CA 1.853 57.955 56.100 0.004 0.000 0.963 34 R CB -0.325 29.983 30.300 0.013 0.000 0.858 34 R HN 0.499 nan 8.270 nan 0.000 0.435 35 D N 0.466 120.869 120.400 0.006 0.000 2.117 35 D HA -0.156 4.484 4.640 -0.001 0.000 0.197 35 D C 1.642 177.949 176.300 0.011 0.000 0.987 35 D CA 1.415 55.422 54.000 0.012 0.000 0.829 35 D CB -0.070 40.736 40.800 0.010 0.000 0.961 35 D HN 0.434 nan 8.370 nan 0.000 0.460 36 E N -0.533 119.671 120.200 0.006 0.000 2.112 36 E HA 0.044 4.393 4.350 -0.001 0.000 0.190 36 E C 1.860 178.466 176.600 0.009 0.000 0.979 36 E CA 0.482 56.888 56.400 0.010 0.000 0.814 36 E CB 0.311 30.016 29.700 0.009 0.000 0.762 36 E HN 0.256 nan 8.360 nan 0.000 0.460 37 L N -1.482 119.742 121.223 0.001 0.000 2.717 37 L HA 0.325 4.664 4.340 -0.001 0.000 0.239 37 L C 1.122 177.991 176.870 -0.001 0.000 1.086 37 L CA 0.135 54.971 54.840 -0.008 0.000 0.897 37 L CB 0.661 42.699 42.059 -0.035 0.000 1.214 37 L HN 0.199 nan 8.230 nan 0.000 0.508 38 G N 0.926 109.730 108.800 0.007 0.000 2.484 38 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.225 38 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.225 38 G C -0.183 174.728 174.900 0.019 0.000 1.250 38 G CA 0.103 45.215 45.100 0.021 0.000 0.926 38 G HN 0.081 nan 8.290 nan 0.000 0.581 39 D N -0.205 120.218 120.400 0.038 0.000 2.312 39 D HA 0.216 4.855 4.640 -0.001 0.000 0.211 39 D C 1.018 177.334 176.300 0.027 0.000 0.964 39 D CA 1.547 55.577 54.000 0.050 0.000 0.877 39 D CB 0.272 41.125 40.800 0.088 0.000 0.924 39 D HN 0.459 nan 8.370 nan 0.000 0.515 40 V N -0.087 119.815 119.914 -0.020 0.000 2.482 40 V HA 0.749 4.869 4.120 -0.001 0.000 0.295 40 V C 0.379 176.360 176.094 -0.187 0.000 1.026 40 V CA -0.693 61.550 62.300 -0.095 0.000 0.856 40 V CB 1.898 33.654 31.823 -0.111 0.000 1.001 40 V HN 0.107 nan 8.190 nan 0.000 0.424 41 G N 2.375 111.100 108.800 -0.125 0.000 2.660 41 G HA2 0.784 4.743 3.960 -0.001 0.000 0.290 41 G HA3 0.784 4.743 3.960 -0.001 0.000 0.290 41 G C -0.802 174.051 174.900 -0.078 0.000 1.432 41 G CA -0.022 45.010 45.100 -0.115 0.000 0.807 41 G HN 0.794 nan 8.290 nan 0.000 0.485 42 T N -1.865 112.648 114.554 -0.068 0.000 2.916 42 T HA 0.841 5.190 4.350 -0.001 0.000 0.292 42 T C -0.719 173.960 174.700 -0.036 0.000 1.055 42 T CA -0.791 61.249 62.100 -0.101 0.000 1.009 42 T CB 1.815 70.614 68.868 -0.115 0.000 1.118 42 T HN 1.438 nan 8.240 nan 0.000 0.497 43 F N -0.761 119.058 119.950 -0.217 0.000 2.629 43 F HA 0.830 5.357 4.527 -0.001 0.000 0.316 43 F C -0.793 174.951 175.800 -0.094 0.000 1.081 43 F CA -1.438 56.367 58.000 -0.323 0.000 0.954 43 F CB 1.884 40.519 39.000 -0.608 0.000 1.337 43 F HN 0.633 nan 8.300 nan 0.000 0.474 44 Q N 1.782 121.782 119.800 0.332 0.000 2.325 44 Q HA 0.530 4.869 4.340 -0.001 0.000 0.262 44 Q C -1.808 174.295 176.000 0.172 0.000 0.968 44 Q CA -0.521 55.374 55.803 0.153 0.000 0.877 44 Q CB 1.610 30.452 28.738 0.173 0.000 1.253 44 Q HN 0.783 nan 8.270 nan 0.000 0.448 45 L N 4.502 125.721 121.223 -0.007 0.000 2.360 45 L HA 0.640 4.979 4.340 -0.001 0.000 0.265 45 L C 0.321 177.218 176.870 0.045 0.000 1.066 45 L CA 0.924 55.770 54.840 0.009 0.000 0.929 45 L CB -0.365 41.590 42.059 -0.174 0.000 1.306 45 L HN 0.905 nan 8.230 nan 0.000 0.434 46 A N 3.502 126.392 122.820 0.118 0.000 5.295 46 A HA -0.306 4.013 4.320 -0.001 0.000 0.313 46 A C 1.593 179.242 177.584 0.108 0.000 1.912 46 A CA 1.300 53.432 52.037 0.157 0.000 0.714 46 A CB -1.870 17.164 19.000 0.056 0.000 1.319 46 A HN 0.959 nan 8.150 nan 0.000 0.375 47 G N -0.735 108.117 108.800 0.087 0.000 2.598 47 G HA2 0.243 4.203 3.960 -0.001 0.000 0.215 47 G HA3 0.243 4.203 3.960 -0.001 0.000 0.215 47 G C 0.600 175.514 174.900 0.024 0.000 1.131 47 G CA 1.328 46.463 45.100 0.059 0.000 0.785 47 G HN 0.645 nan 8.290 nan 0.000 0.539 48 K N 0.701 121.102 120.400 0.003 0.000 2.185 48 K HA 0.276 4.595 4.320 -0.001 0.000 0.269 48 K C -0.439 176.094 176.600 -0.112 0.000 0.987 48 K CA -0.471 55.790 56.287 -0.043 0.000 0.865 48 K CB 2.040 34.514 32.500 -0.044 0.000 1.090 48 K HN 0.269 nan 8.250 nan 0.000 0.450 49 Q N 2.079 121.809 119.800 -0.117 0.000 2.267 49 Q HA 0.258 4.598 4.340 -0.001 0.000 0.255 49 Q C -1.001 174.818 176.000 -0.300 0.000 0.923 49 Q CA -0.511 55.185 55.803 -0.179 0.000 0.925 49 Q CB 1.045 29.725 28.738 -0.098 0.000 1.195 49 Q HN 0.246 nan 8.270 nan 0.000 0.417 50 V N 4.941 124.527 119.914 -0.547 0.000 2.370 50 V HA 0.251 4.370 4.120 -0.001 0.000 0.283 50 V C -0.373 175.409 176.094 -0.520 0.000 1.023 50 V CA -0.756 61.133 62.300 -0.684 0.000 0.857 50 V CB 1.649 32.672 31.823 -1.334 0.000 0.985 50 V HN 0.619 nan 8.190 nan 0.000 0.443 51 V N 6.644 126.390 119.914 -0.279 0.000 2.339 51 V HA 0.269 4.388 4.120 -0.001 0.000 0.261 51 V C -0.058 175.961 176.094 -0.125 0.000 1.058 51 V CA -0.315 61.888 62.300 -0.161 0.000 0.897 51 V CB 1.102 32.885 31.823 -0.066 0.000 1.052 51 V HN 0.645 nan 8.190 nan 0.000 0.480 52 L N 7.444 128.607 121.223 -0.100 0.000 2.260 52 L HA 0.488 4.827 4.340 -0.001 0.000 0.289 52 L C -0.311 176.536 176.870 -0.038 0.000 1.057 52 L CA 0.446 55.266 54.840 -0.034 0.000 0.811 52 L CB 0.592 42.714 42.059 0.104 0.000 1.184 52 L HN 0.464 nan 8.230 nan 0.000 0.429 53 L N 4.899 126.080 121.223 -0.070 0.000 2.343 53 L HA 0.739 5.078 4.340 -0.001 0.000 0.275 53 L C 0.115 176.958 176.870 -0.046 0.000 1.056 53 L CA -0.392 54.423 54.840 -0.042 0.000 0.804 53 L CB 1.619 43.663 42.059 -0.026 0.000 1.203 53 L HN 0.814 nan 8.230 nan 0.000 0.440 54 S N 0.392 116.100 115.700 0.014 0.000 2.596 54 S HA 0.918 5.388 4.470 -0.001 0.000 0.270 54 S C -0.367 174.288 174.600 0.093 0.000 1.155 54 S CA -0.284 57.944 58.200 0.046 0.000 0.827 54 S CB 1.847 65.070 63.200 0.040 0.000 1.130 54 S HN 1.286 nan 8.310 nan 0.000 0.467 55 G N 0.891 109.767 108.800 0.126 0.000 2.730 55 G HA2 0.001 3.960 3.960 -0.001 0.000 0.686 55 G HA3 0.001 3.960 3.960 -0.001 0.000 0.686 55 G C 0.607 175.628 174.900 0.201 0.000 1.343 55 G CA 0.363 45.553 45.100 0.150 0.000 0.826 55 G HN 2.067 nan 8.290 nan 0.000 0.582 56 S N -0.518 115.315 115.700 0.222 0.000 2.368 56 S HA -0.205 4.264 4.470 -0.001 0.000 0.225 56 S C 1.833 176.569 174.600 0.228 0.000 1.030 56 S CA 2.235 60.613 58.200 0.296 0.000 0.999 56 S CB -0.426 62.953 63.200 0.299 0.000 0.844 56 S HN 1.551 nan 8.310 nan 0.000 0.459 57 H N 2.202 121.332 119.070 0.099 0.000 2.293 57 H HA 0.167 4.722 4.556 -0.001 0.000 0.300 57 H C 2.200 177.551 175.328 0.039 0.000 1.082 57 H CA 1.831 57.904 56.048 0.042 0.000 1.308 57 H CB -0.771 29.012 29.762 0.036 0.000 1.375 57 H HN 0.464 nan 8.280 nan 0.000 0.495 58 A N 0.359 123.232 122.820 0.087 0.000 1.929 58 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 58 A C 2.206 179.839 177.584 0.082 0.000 1.176 58 A CA 1.450 53.522 52.037 0.059 0.000 0.628 58 A CB -0.392 18.675 19.000 0.112 0.000 0.816 58 A HN 0.525 nan 8.150 nan 0.000 0.444 59 N N -0.028 118.737 118.700 0.108 0.000 2.166 59 N HA -0.170 4.570 4.740 -0.001 0.000 0.186 59 N C 1.672 177.267 175.510 0.141 0.000 1.019 59 N CA 1.518 54.677 53.050 0.181 0.000 0.856 59 N CB -0.361 38.382 38.487 0.426 0.000 0.993 59 N HN 0.771 nan 8.380 nan 0.000 0.426 60 E N -0.344 119.745 120.200 -0.185 0.000 2.077 60 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 60 E C 1.790 178.096 176.600 -0.490 0.000 0.989 60 E CA 0.696 56.583 56.400 -0.855 0.000 0.800 60 E CB -0.200 28.813 29.700 -1.146 0.000 0.746 60 E HN 0.321 nan 8.360 nan 0.000 0.452 61 F N 0.760 120.467 119.950 -0.405 0.000 2.069 61 F HA -0.238 4.288 4.527 -0.001 0.000 0.298 61 F C 1.935 177.584 175.800 -0.251 0.000 1.113 61 F CA 1.865 59.672 58.000 -0.322 0.000 1.214 61 F CB -0.750 38.074 39.000 -0.295 0.000 0.978 61 F HN 0.137 nan 8.300 nan 0.000 0.474 62 F N -0.005 119.612 119.950 -0.554 0.000 2.095 62 F HA -0.228 4.298 4.527 -0.001 0.000 0.298 62 F C 1.885 177.328 175.800 -0.595 0.000 1.104 62 F CA 1.965 59.544 58.000 -0.701 0.000 1.232 62 F CB -0.764 37.861 39.000 -0.625 0.000 0.987 62 F HN -0.014 nan 8.300 nan 0.000 0.475 63 F N 0.331 120.272 119.950 -0.015 0.000 2.367 63 F HA 0.068 4.594 4.527 -0.001 0.000 0.298 63 F C 2.271 178.008 175.800 -0.104 0.000 1.094 63 F CA 0.971 59.000 58.000 0.049 0.000 1.409 63 F CB -0.611 38.613 39.000 0.372 0.000 1.064 63 F HN -0.158 nan 8.300 nan 0.000 0.528 64 R N 0.043 120.464 120.500 -0.133 0.000 2.297 64 R HA 0.285 4.625 4.340 -0.001 0.000 0.197 64 R C 0.677 176.844 176.300 -0.223 0.000 0.943 64 R CA 0.226 56.242 56.100 -0.140 0.000 1.038 64 R CB -0.147 30.033 30.300 -0.200 0.000 0.957 64 R HN 0.080 nan 8.270 nan 0.000 0.484 65 A N 1.216 123.799 122.820 -0.396 0.000 2.450 65 A HA 0.467 4.786 4.320 -0.001 0.000 0.255 65 A C 0.519 177.942 177.584 -0.269 0.000 1.096 65 A CA -0.103 51.669 52.037 -0.441 0.000 0.778 65 A CB 0.519 19.054 19.000 -0.775 0.000 1.031 65 A HN 0.284 nan 8.150 nan 0.000 0.494 66 G N 0.363 109.055 108.800 -0.180 0.000 2.547 66 G HA2 0.394 4.353 3.960 -0.001 0.000 0.291 66 G HA3 0.394 4.353 3.960 -0.001 0.000 0.291 66 G C 0.071 174.943 174.900 -0.047 0.000 1.211 66 G CA -0.314 44.724 45.100 -0.105 0.000 0.950 66 G HN 0.622 nan 8.290 nan 0.000 0.504 67 D N -0.381 120.038 120.400 0.033 0.000 2.310 67 D HA -0.069 4.571 4.640 -0.001 0.000 0.212 67 D C 1.568 177.886 176.300 0.030 0.000 0.965 67 D CA 0.554 54.587 54.000 0.055 0.000 0.879 67 D CB 0.195 41.054 40.800 0.099 0.000 0.921 67 D HN 0.306 nan 8.370 nan 0.000 0.510 68 D N 0.387 120.803 120.400 0.026 0.000 2.264 68 D HA -0.096 4.544 4.640 -0.001 0.000 0.208 68 D C 1.153 177.505 176.300 0.087 0.000 0.966 68 D CA 0.863 54.891 54.000 0.047 0.000 0.864 68 D CB 0.277 41.102 40.800 0.042 0.000 0.933 68 D HN 0.248 nan 8.370 nan 0.000 0.499 69 D N -0.667 119.771 120.400 0.063 0.000 2.856 69 D HA 0.162 4.801 4.640 -0.001 0.000 0.283 69 D C 0.517 176.838 176.300 0.035 0.000 1.051 69 D CA 0.204 54.298 54.000 0.157 0.000 0.965 69 D CB 1.126 41.901 40.800 -0.042 0.000 1.201 69 D HN 0.088 nan 8.370 nan 0.000 0.474 70 L N 1.814 122.943 121.223 -0.156 0.000 2.372 70 L HA 0.303 4.642 4.340 -0.001 0.000 0.273 70 L C -0.789 176.004 176.870 -0.129 0.000 0.989 70 L CA -0.761 53.960 54.840 -0.198 0.000 0.841 70 L CB 2.185 43.969 42.059 -0.459 0.000 1.225 70 L HN -0.194 nan 8.230 nan 0.000 0.414 71 D N 2.496 122.860 120.400 -0.061 0.000 2.316 71 D HA 0.040 4.679 4.640 -0.001 0.000 0.245 71 D C 0.586 176.845 176.300 -0.068 0.000 1.171 71 D CA 0.151 54.132 54.000 -0.032 0.000 0.856 71 D CB 1.674 42.474 40.800 0.000 0.000 1.090 71 D HN 0.525 nan 8.370 nan 0.000 0.476 72 Q N 3.368 123.113 119.800 -0.092 0.000 2.331 72 Q HA -0.046 4.294 4.340 -0.001 0.000 0.203 72 Q C 1.476 177.480 176.000 0.007 0.000 0.944 72 Q CA 0.599 56.338 55.803 -0.107 0.000 0.892 72 Q CB 0.202 28.707 28.738 -0.389 0.000 0.983 72 Q HN 0.583 nan 8.270 nan 0.000 0.482 73 A N 1.356 124.180 122.820 0.005 0.000 1.908 73 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 73 A C 1.750 179.363 177.584 0.049 0.000 1.181 73 A CA 1.401 53.463 52.037 0.041 0.000 0.627 73 A CB -0.107 18.912 19.000 0.033 0.000 0.818 73 A HN 0.133 nan 8.150 nan 0.000 0.445 74 K N -0.713 119.696 120.400 0.015 0.000 2.397 74 K HA 0.396 4.715 4.320 -0.001 0.000 0.202 74 K C 1.155 177.728 176.600 -0.045 0.000 1.022 74 K CA 0.714 56.997 56.287 -0.007 0.000 1.141 74 K CB 0.231 32.728 32.500 -0.005 0.000 0.857 74 K HN 0.410 nan 8.250 nan 0.000 0.514 75 A N -0.036 122.742 122.820 -0.070 0.000 2.275 75 A HA 0.079 4.398 4.320 -0.001 0.000 0.212 75 A C -0.039 177.321 177.584 -0.373 0.000 1.201 75 A CA 0.260 52.180 52.037 -0.196 0.000 0.843 75 A CB -0.058 18.761 19.000 -0.302 0.000 0.873 75 A HN 0.188 nan 8.150 nan 0.000 0.492 76 Y N -0.295 119.903 120.300 -0.170 0.000 2.511 76 Y HA 0.271 4.821 4.550 -0.001 0.000 0.356 76 Y C -1.780 173.624 175.900 -0.828 0.000 1.002 76 Y CA -2.104 55.675 58.100 -0.535 0.000 1.127 76 Y CB 0.883 38.980 38.460 -0.604 0.000 1.137 76 Y HN 0.194 nan 8.280 nan 0.000 0.652 77 P HA -0.193 nan 4.420 nan 0.000 0.225 77 P C 1.298 178.310 177.300 -0.480 0.000 1.148 77 P CA 1.159 63.979 63.100 -0.466 0.000 0.779 77 P CB -0.194 31.247 31.700 -0.431 0.000 0.780 78 F N -2.102 117.625 119.950 -0.372 0.000 2.408 78 F HA 0.001 4.528 4.527 -0.001 0.000 0.300 78 F C 1.866 177.398 175.800 -0.446 0.000 1.090 78 F CA 0.613 58.398 58.000 -0.358 0.000 1.427 78 F CB -1.536 37.355 39.000 -0.182 0.000 1.070 78 F HN -0.264 nan 8.300 nan 0.000 0.549 79 M N 0.527 119.679 119.600 -0.747 0.000 2.419 79 M HA -0.031 4.448 4.480 -0.001 0.000 0.264 79 M C 1.885 177.594 176.300 -0.985 0.000 1.082 79 M CA 0.962 55.681 55.300 -0.969 0.000 1.119 79 M CB -1.543 30.392 32.600 -1.108 0.000 1.398 79 M HN 0.197 nan 8.290 nan 0.000 0.453 80 T N 1.664 115.868 114.554 -0.583 0.000 2.684 80 T HA -0.082 4.268 4.350 -0.001 0.000 0.267 80 T C -0.746 173.797 174.700 -0.262 0.000 1.036 80 T CA 1.471 63.379 62.100 -0.319 0.000 1.148 80 T CB -1.293 67.480 68.868 -0.158 0.000 0.863 80 T HN 0.227 nan 8.240 nan 0.000 0.436 81 P HA 0.149 nan 4.420 nan 0.000 0.226 81 P C 1.201 178.356 177.300 -0.241 0.000 1.153 81 P CA 0.635 63.572 63.100 -0.271 0.000 0.777 81 P CB -0.170 31.208 31.700 -0.536 0.000 0.794 82 I N -1.947 118.387 120.570 -0.394 0.000 2.193 82 I HA -0.186 3.983 4.170 -0.001 0.000 0.240 82 I C 1.872 177.879 176.117 -0.182 0.000 1.084 82 I CA 1.200 62.282 61.300 -0.364 0.000 1.365 82 I CB -0.659 36.988 38.000 -0.588 0.000 1.064 82 I HN -0.165 nan 8.210 nan 0.000 0.410 83 F N 1.500 121.365 119.950 -0.142 0.000 2.202 83 F HA 0.027 4.553 4.527 -0.001 0.000 0.301 83 F C 1.919 177.681 175.800 -0.063 0.000 1.082 83 F CA 0.675 58.620 58.000 -0.091 0.000 1.313 83 F CB -1.724 37.222 39.000 -0.090 0.000 1.024 83 F HN 0.215 nan 8.300 nan 0.000 0.495 84 G N 0.358 109.219 108.800 0.102 0.000 2.601 84 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.261 84 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.261 84 G C 0.757 175.700 174.900 0.072 0.000 1.289 84 G CA 0.365 45.505 45.100 0.068 0.000 0.920 84 G HN 0.255 nan 8.290 nan 0.000 0.571 85 E N 0.511 120.732 120.200 0.035 0.000 2.415 85 E HA 0.198 4.548 4.350 -0.001 0.000 0.197 85 E C 1.684 178.286 176.600 0.003 0.000 1.007 85 E CA 0.691 57.102 56.400 0.017 0.000 0.890 85 E CB -0.170 29.530 29.700 -0.000 0.000 0.891 85 E HN 0.919 nan 8.360 nan 0.000 0.496 86 G N 1.413 110.210 108.800 -0.005 0.000 2.491 86 G HA2 0.322 4.282 3.960 -0.001 0.000 0.242 86 G HA3 0.322 4.282 3.960 -0.001 0.000 0.242 86 G C -0.236 174.636 174.900 -0.047 0.000 1.266 86 G CA -0.174 44.910 45.100 -0.027 0.000 0.844 86 G HN -0.041 nan 8.290 nan 0.000 0.571 87 V N 2.323 122.205 119.914 -0.053 0.000 2.577 87 V HA 0.215 4.334 4.120 -0.001 0.000 0.303 87 V C 0.610 176.621 176.094 -0.138 0.000 1.042 87 V CA -0.617 61.633 62.300 -0.083 0.000 0.872 87 V CB 1.550 33.353 31.823 -0.034 0.000 0.998 87 V HN 0.572 nan 8.190 nan 0.000 0.423 88 V N 3.042 122.757 119.914 -0.331 0.000 2.490 88 V HA 0.210 4.330 4.120 -0.001 0.000 0.238 88 V C 0.210 175.937 176.094 -0.612 0.000 1.056 88 V CA 1.108 62.950 62.300 -0.764 0.000 1.075 88 V CB -0.025 31.053 31.823 -1.241 0.000 0.746 88 V HN 0.668 nan 8.190 nan 0.000 0.479 89 F N 1.086 120.968 119.950 -0.114 0.000 2.361 89 F HA 0.477 5.003 4.527 -0.001 0.000 0.364 89 F C -0.109 175.675 175.800 -0.027 0.000 1.117 89 F CA -1.416 56.562 58.000 -0.037 0.000 1.071 89 F CB 0.281 39.247 39.000 -0.056 0.000 1.188 89 F HN 0.011 nan 8.300 nan 0.000 0.464 90 D N 2.419 122.917 120.400 0.162 0.000 2.351 90 D HA 0.656 5.296 4.640 -0.001 0.000 0.251 90 D C -0.281 176.063 176.300 0.073 0.000 1.137 90 D CA 0.551 54.602 54.000 0.085 0.000 0.879 90 D CB 0.832 41.674 40.800 0.070 0.000 1.181 90 D HN 0.746 nan 8.370 nan 0.000 0.448 91 A N 1.560 124.403 122.820 0.039 0.000 2.438 91 A HA 0.561 4.880 4.320 -0.001 0.000 0.301 91 A C -0.537 177.050 177.584 0.006 0.000 1.101 91 A CA -0.612 51.438 52.037 0.022 0.000 0.621 91 A CB 0.186 19.198 19.000 0.020 0.000 1.350 91 A HN 0.544 nan 8.150 nan 0.000 0.496 92 S N 0.093 115.794 115.700 0.002 0.000 2.576 92 S HA 0.359 4.829 4.470 -0.001 0.000 0.272 92 S C -1.805 172.787 174.600 -0.014 0.000 1.352 92 S CA 0.075 58.274 58.200 -0.003 0.000 1.021 92 S CB 0.277 63.478 63.200 0.002 0.000 0.887 92 S HN 0.384 nan 8.310 nan 0.000 0.542 93 P HA -0.137 nan 4.420 nan 0.000 0.216 93 P C 1.485 178.767 177.300 -0.030 0.000 1.153 93 P CA 1.416 64.496 63.100 -0.034 0.000 0.858 93 P CB 0.046 31.736 31.700 -0.017 0.000 0.789 94 E N -0.225 119.973 120.200 -0.004 0.000 2.106 94 E HA -0.182 4.168 4.350 -0.001 0.000 0.192 94 E C 2.177 178.778 176.600 0.002 0.000 0.984 94 E CA 1.287 57.695 56.400 0.013 0.000 0.806 94 E CB -0.549 29.167 29.700 0.027 0.000 0.750 94 E HN -0.005 nan 8.360 nan 0.000 0.458 95 R N -0.205 120.291 120.500 -0.007 0.000 2.090 95 R HA 0.057 4.396 4.340 -0.001 0.000 0.228 95 R C 2.336 178.619 176.300 -0.028 0.000 1.110 95 R CA 1.059 57.151 56.100 -0.013 0.000 0.973 95 R CB -0.023 30.270 30.300 -0.011 0.000 0.869 95 R HN 0.051 nan 8.270 nan 0.000 0.440 96 R N 0.340 120.817 120.500 -0.038 0.000 2.127 96 R HA -0.153 4.187 4.340 -0.001 0.000 0.238 96 R C 2.265 178.505 176.300 -0.100 0.000 1.134 96 R CA 1.668 57.731 56.100 -0.063 0.000 0.975 96 R CB -0.212 30.034 30.300 -0.090 0.000 0.865 96 R HN 0.198 nan 8.270 nan 0.000 0.447 97 K N 1.461 121.811 120.400 -0.083 0.000 2.025 97 K HA -0.178 4.141 4.320 -0.001 0.000 0.207 97 K C 1.723 178.317 176.600 -0.009 0.000 1.049 97 K CA 1.553 57.806 56.287 -0.057 0.000 0.933 97 K CB 0.084 32.584 32.500 -0.001 0.000 0.714 97 K HN 0.138 nan 8.250 nan 0.000 0.438 98 E N 0.350 120.555 120.200 0.008 0.000 2.070 98 E HA -0.231 4.118 4.350 -0.001 0.000 0.197 98 E C 2.019 178.605 176.600 -0.023 0.000 1.004 98 E CA 1.970 58.381 56.400 0.018 0.000 0.805 98 E CB -0.108 29.594 29.700 0.003 0.000 0.744 98 E HN 0.385 nan 8.360 nan 0.000 0.451 99 M N 0.229 119.792 119.600 -0.060 0.000 2.374 99 M HA -0.127 4.352 4.480 -0.001 0.000 0.264 99 M C 2.107 178.338 176.300 -0.114 0.000 1.067 99 M CA 0.912 56.162 55.300 -0.083 0.000 1.103 99 M CB -0.109 32.449 32.600 -0.070 0.000 1.402 99 M HN 0.155 nan 8.290 nan 0.000 0.444 100 L N -0.947 120.148 121.223 -0.214 0.000 2.093 100 L HA -0.217 4.122 4.340 -0.001 0.000 0.208 100 L C 2.194 178.783 176.870 -0.468 0.000 1.085 100 L CA 0.993 55.583 54.840 -0.417 0.000 0.755 100 L CB -0.537 41.077 42.059 -0.742 0.000 0.904 100 L HN 0.444 nan 8.230 nan 0.000 0.435 101 H N -3.021 116.036 119.070 -0.021 0.000 3.266 101 H HA 0.164 4.719 4.556 -0.001 0.000 0.246 101 H C 1.579 176.875 175.328 -0.054 0.000 0.998 101 H CA 0.001 56.019 56.048 -0.050 0.000 1.152 101 H CB 0.154 29.890 29.762 -0.045 0.000 1.466 101 H HN 0.198 nan 8.280 nan 0.000 0.481 102 N N 1.867 120.609 118.700 0.071 0.000 2.120 102 N HA -0.078 4.661 4.740 -0.001 0.000 0.188 102 N C 2.041 177.564 175.510 0.022 0.000 1.024 102 N CA 1.351 54.426 53.050 0.042 0.000 0.852 102 N CB -0.243 38.259 38.487 0.025 0.000 1.003 102 N HN 0.305 nan 8.380 nan 0.000 0.424 103 A N 1.009 123.831 122.820 0.004 0.000 1.873 103 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 103 A C 2.293 179.903 177.584 0.043 0.000 1.193 103 A CA 2.264 54.306 52.037 0.007 0.000 0.629 103 A CB -1.018 17.975 19.000 -0.011 0.000 0.826 103 A HN 0.329 nan 8.150 nan 0.000 0.447 104 A N -0.976 121.872 122.820 0.047 0.000 2.066 104 A HA 0.177 4.496 4.320 -0.001 0.000 0.218 104 A C 1.877 179.551 177.584 0.151 0.000 1.157 104 A CA 1.120 53.228 52.037 0.118 0.000 0.670 104 A CB -0.418 18.567 19.000 -0.024 0.000 0.804 104 A HN 0.465 nan 8.150 nan 0.000 0.453 105 L N -0.543 120.713 121.223 0.055 0.000 2.592 105 L HA 0.099 4.438 4.340 -0.001 0.000 0.227 105 L C 0.722 177.647 176.870 0.091 0.000 1.127 105 L CA -0.305 54.573 54.840 0.063 0.000 0.884 105 L CB -0.159 41.904 42.059 0.007 0.000 1.065 105 L HN 0.246 nan 8.230 nan 0.000 0.457 106 R N 0.172 120.718 120.500 0.077 0.000 2.623 106 R HA 0.029 4.368 4.340 -0.001 0.000 0.271 106 R C 1.438 177.767 176.300 0.050 0.000 1.043 106 R CA 0.432 56.559 56.100 0.046 0.000 1.083 106 R CB 0.690 31.004 30.300 0.023 0.000 0.974 106 R HN 0.118 nan 8.270 nan 0.000 0.436 107 G N 2.588 111.406 108.800 0.030 0.000 2.469 107 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.220 107 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.220 107 G C 1.122 176.025 174.900 0.005 0.000 1.136 107 G CA 0.757 45.870 45.100 0.022 0.000 0.759 107 G HN 0.791 nan 8.290 nan 0.000 0.562 108 E N 0.253 120.448 120.200 -0.008 0.000 2.409 108 E HA -0.107 4.242 4.350 -0.001 0.000 0.198 108 E C 1.711 178.278 176.600 -0.055 0.000 1.024 108 E CA 0.711 57.096 56.400 -0.025 0.000 0.861 108 E CB -0.201 29.486 29.700 -0.022 0.000 0.788 108 E HN 0.397 nan 8.360 nan 0.000 0.521 109 Q N -0.304 119.452 119.800 -0.072 0.000 2.408 109 Q HA 0.169 4.508 4.340 -0.001 0.000 0.205 109 Q C 2.004 177.826 176.000 -0.295 0.000 0.919 109 Q CA 0.205 55.876 55.803 -0.220 0.000 0.932 109 Q CB 0.085 28.685 28.738 -0.230 0.000 1.058 109 Q HN 0.348 nan 8.270 nan 0.000 0.517 110 M N 0.522 120.086 119.600 -0.061 0.000 2.117 110 M HA -0.155 4.324 4.480 -0.001 0.000 0.262 110 M C 2.089 178.392 176.300 0.004 0.000 1.065 110 M CA 1.367 56.695 55.300 0.047 0.000 1.114 110 M CB -0.679 31.960 32.600 0.065 0.000 1.361 110 M HN 0.124 nan 8.290 nan 0.000 0.408 111 K N 0.157 120.541 120.400 -0.028 0.000 2.032 111 K HA -0.142 4.177 4.320 -0.001 0.000 0.209 111 K C 1.997 178.593 176.600 -0.007 0.000 1.048 111 K CA 1.764 58.046 56.287 -0.009 0.000 0.927 111 K CB -0.382 32.115 32.500 -0.006 0.000 0.712 111 K HN 0.363 nan 8.250 nan 0.000 0.441 112 G N 0.278 109.039 108.800 -0.065 0.000 2.418 112 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.217 112 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.217 112 G C 1.168 176.082 174.900 0.024 0.000 1.158 112 G CA 0.856 45.924 45.100 -0.054 0.000 0.771 112 G HN 0.351 nan 8.290 nan 0.000 0.545 113 H N 0.918 120.029 119.070 0.069 0.000 2.387 113 H HA 0.044 4.599 4.556 -0.001 0.000 0.299 113 H C 2.892 178.231 175.328 0.018 0.000 1.090 113 H CA 1.057 57.157 56.048 0.088 0.000 1.332 113 H CB -0.691 29.186 29.762 0.192 0.000 1.386 113 H HN 0.382 nan 8.280 nan 0.000 0.516 114 A N 1.042 123.932 122.820 0.116 0.000 1.902 114 A HA -0.077 4.243 4.320 -0.001 0.000 0.217 114 A C 2.691 180.310 177.584 0.059 0.000 1.181 114 A CA 1.778 53.845 52.037 0.049 0.000 0.623 114 A CB -0.801 18.223 19.000 0.040 0.000 0.818 114 A HN 0.438 nan 8.150 nan 0.000 0.443 115 A N -1.077 121.782 122.820 0.065 0.000 1.898 115 A HA -0.061 4.259 4.320 -0.001 0.000 0.216 115 A C 2.295 179.908 177.584 0.048 0.000 1.181 115 A CA 2.216 54.285 52.037 0.055 0.000 0.620 115 A CB -1.234 17.794 19.000 0.047 0.000 0.819 115 A HN 0.418 nan 8.150 nan 0.000 0.442 116 T N 0.391 114.988 114.554 0.072 0.000 2.684 116 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 116 T C 1.785 176.511 174.700 0.043 0.000 1.036 116 T CA 1.638 63.779 62.100 0.069 0.000 1.148 116 T CB -0.412 68.532 68.868 0.127 0.000 0.863 116 T HN 0.425 nan 8.240 nan 0.000 0.436 117 I N 0.795 121.391 120.570 0.043 0.000 2.226 117 I HA -0.155 4.014 4.170 -0.001 0.000 0.245 117 I C 2.742 178.856 176.117 -0.005 0.000 1.100 117 I CA 1.316 62.622 61.300 0.009 0.000 1.374 117 I CB -0.358 37.627 38.000 -0.025 0.000 1.057 117 I HN 0.345 nan 8.210 nan 0.000 0.413 118 E N 1.101 121.304 120.200 0.004 0.000 2.070 118 E HA -0.352 3.998 4.350 -0.001 0.000 0.197 118 E C 1.761 178.346 176.600 -0.025 0.000 1.004 118 E CA 2.200 58.596 56.400 -0.007 0.000 0.805 118 E CB -0.098 29.610 29.700 0.014 0.000 0.744 118 E HN 0.425 nan 8.360 nan 0.000 0.451 119 D N -0.514 119.876 120.400 -0.017 0.000 2.144 119 D HA -0.180 4.460 4.640 -0.001 0.000 0.199 119 D C 2.021 178.287 176.300 -0.056 0.000 0.984 119 D CA 1.116 55.095 54.000 -0.034 0.000 0.834 119 D CB 0.052 40.837 40.800 -0.024 0.000 0.955 119 D HN 0.158 nan 8.370 nan 0.000 0.465 120 Q N -0.115 119.658 119.800 -0.045 0.000 2.119 120 Q HA -0.053 4.286 4.340 -0.001 0.000 0.201 120 Q C 2.492 178.445 176.000 -0.078 0.000 0.972 120 Q CA 0.610 56.380 55.803 -0.056 0.000 0.847 120 Q CB -0.469 28.265 28.738 -0.006 0.000 0.903 120 Q HN 0.309 nan 8.270 nan 0.000 0.433 121 V N 1.227 121.095 119.914 -0.077 0.000 2.358 121 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 121 V C 2.387 178.394 176.094 -0.146 0.000 1.047 121 V CA 1.659 63.895 62.300 -0.107 0.000 1.035 121 V CB -0.483 31.288 31.823 -0.086 0.000 0.658 121 V HN 0.309 nan 8.190 nan 0.000 0.452 122 R N -0.098 120.331 120.500 -0.119 0.000 2.096 122 R HA -0.130 4.209 4.340 -0.001 0.000 0.235 122 R C 2.522 178.734 176.300 -0.146 0.000 1.127 122 R CA 1.394 57.416 56.100 -0.129 0.000 0.968 122 R CB -0.368 29.881 30.300 -0.085 0.000 0.861 122 R HN 0.482 nan 8.270 nan 0.000 0.440 123 R N -0.128 120.293 120.500 -0.131 0.000 2.096 123 R HA -0.019 4.320 4.340 -0.001 0.000 0.235 123 R C 2.243 178.453 176.300 -0.150 0.000 1.127 123 R CA 1.149 57.167 56.100 -0.137 0.000 0.968 123 R CB -0.102 30.104 30.300 -0.156 0.000 0.861 123 R HN 0.119 nan 8.270 nan 0.000 0.440 124 M N 0.485 119.987 119.600 -0.163 0.000 2.319 124 M HA -0.040 4.439 4.480 -0.001 0.000 0.265 124 M C 2.025 178.169 176.300 -0.260 0.000 1.068 124 M CA 1.336 56.552 55.300 -0.139 0.000 1.118 124 M CB -0.175 32.312 32.600 -0.189 0.000 1.395 124 M HN 0.225 nan 8.290 nan 0.000 0.435 125 I N -3.669 116.589 120.570 -0.520 0.000 3.928 125 I HA 0.268 4.438 4.170 -0.001 0.000 0.335 125 I C 1.861 177.663 176.117 -0.524 0.000 1.325 125 I CA 0.102 60.710 61.300 -1.154 0.000 1.107 125 I CB -0.497 36.611 38.000 -1.487 0.000 1.014 125 I HN -0.054 nan 8.210 nan 0.000 0.400 126 A N 2.567 125.242 122.820 -0.242 0.000 1.978 126 A HA -0.237 4.083 4.320 -0.001 0.000 0.220 126 A C 1.786 179.372 177.584 0.005 0.000 1.170 126 A CA 2.117 54.100 52.037 -0.089 0.000 0.636 126 A CB -0.612 18.346 19.000 -0.069 0.000 0.810 126 A HN 0.723 nan 8.150 nan 0.000 0.448 127 D N -2.821 117.608 120.400 0.049 0.000 2.342 127 D HA -0.025 4.614 4.640 -0.001 0.000 0.221 127 D C 0.953 177.417 176.300 0.273 0.000 1.101 127 D CA -0.322 53.761 54.000 0.140 0.000 0.837 127 D CB -0.499 40.377 40.800 0.127 0.000 0.938 127 D HN 0.487 nan 8.370 nan 0.000 0.508 128 W N 2.050 123.324 121.300 -0.043 0.000 2.467 128 W HA 0.278 4.937 4.660 -0.001 0.000 0.275 128 W C 1.808 178.419 176.519 0.153 0.000 1.239 128 W CA 1.155 58.442 57.345 -0.097 0.000 1.266 128 W CB -0.632 28.431 29.460 -0.661 0.000 1.112 128 W HN 0.289 nan 8.180 nan 0.000 0.576 129 G N 0.305 109.338 108.800 0.389 0.000 2.575 129 G HA2 -0.432 3.528 3.960 -0.001 0.000 0.267 129 G HA3 -0.432 3.528 3.960 -0.001 0.000 0.267 129 G C 0.925 176.069 174.900 0.407 0.000 1.264 129 G CA 0.503 45.789 45.100 0.310 0.000 0.935 129 G HN 0.283 nan 8.290 nan 0.000 0.568 130 E N 0.156 120.511 120.200 0.258 0.000 2.158 130 E HA 0.357 4.706 4.350 -0.001 0.000 0.191 130 E C 1.091 177.847 176.600 0.260 0.000 0.982 130 E CA 1.524 58.052 56.400 0.214 0.000 0.823 130 E CB -0.101 29.652 29.700 0.089 0.000 0.766 130 E HN 1.614 nan 8.360 nan 0.000 0.468 131 A N -0.935 121.979 122.820 0.158 0.000 2.608 131 A HA 0.661 4.980 4.320 -0.001 0.000 0.292 131 A C -0.301 176.933 177.584 -0.582 0.000 1.066 131 A CA -0.242 51.685 52.037 -0.184 0.000 0.676 131 A CB 1.473 20.375 19.000 -0.164 0.000 1.277 131 A HN 0.282 nan 8.150 nan 0.000 0.413 132 G N -0.524 107.467 108.800 -1.349 0.000 2.325 132 G HA2 0.528 4.487 3.960 -0.001 0.000 0.295 132 G HA3 0.528 4.487 3.960 -0.001 0.000 0.295 132 G C -1.624 172.555 174.900 -1.202 0.000 1.274 132 G CA 0.196 44.616 45.100 -1.134 0.000 0.857 132 G HN 1.028 nan 8.290 nan 0.000 0.499 133 E N -0.770 119.048 120.200 -0.637 0.000 2.314 133 E HA 0.664 5.014 4.350 -0.001 0.000 0.272 133 E C -0.780 175.691 176.600 -0.215 0.000 0.884 133 E CA -0.967 55.213 56.400 -0.366 0.000 0.753 133 E CB 2.149 31.709 29.700 -0.234 0.000 1.213 133 E HN 0.806 nan 8.360 nan 0.000 0.432 134 I N -0.306 120.165 120.570 -0.164 0.000 3.002 134 I HA 0.571 4.740 4.170 -0.001 0.000 0.310 134 I C -0.826 175.259 176.117 -0.054 0.000 1.087 134 I CA -0.986 60.236 61.300 -0.130 0.000 1.017 134 I CB 2.114 39.956 38.000 -0.265 0.000 1.226 134 I HN 0.382 nan 8.210 nan 0.000 0.443 135 D N 3.686 124.082 120.400 -0.006 0.000 2.233 135 D HA 0.317 4.956 4.640 -0.001 0.000 0.240 135 D C 0.767 177.104 176.300 0.061 0.000 1.074 135 D CA -0.453 53.560 54.000 0.022 0.000 0.838 135 D CB 2.053 42.861 40.800 0.013 0.000 1.124 135 D HN 0.726 nan 8.370 nan 0.000 0.475 136 L N 3.437 124.706 121.223 0.077 0.000 2.083 136 L HA -0.190 4.149 4.340 -0.001 0.000 0.209 136 L C 2.365 179.352 176.870 0.195 0.000 1.083 136 L CA 0.703 55.635 54.840 0.153 0.000 0.752 136 L CB -0.322 41.818 42.059 0.134 0.000 0.899 136 L HN 0.475 nan 8.230 nan 0.000 0.433 137 L N -0.009 121.271 121.223 0.096 0.000 2.027 137 L HA -0.207 4.132 4.340 -0.001 0.000 0.206 137 L C 2.105 179.002 176.870 0.046 0.000 1.074 137 L CA 1.899 56.780 54.840 0.067 0.000 0.745 137 L CB -0.669 41.396 42.059 0.010 0.000 0.898 137 L HN 0.171 nan 8.230 nan 0.000 0.433 138 D N -0.867 119.550 120.400 0.029 0.000 2.123 138 D HA -0.251 4.388 4.640 -0.001 0.000 0.196 138 D C 1.999 178.325 176.300 0.044 0.000 0.992 138 D CA 1.722 55.731 54.000 0.015 0.000 0.833 138 D CB -0.327 40.492 40.800 0.030 0.000 0.954 138 D HN 0.414 nan 8.370 nan 0.000 0.455 139 F N 0.358 120.262 119.950 -0.076 0.000 2.074 139 F HA -0.120 4.407 4.527 -0.001 0.000 0.293 139 F C 2.083 177.766 175.800 -0.195 0.000 1.116 139 F CA 1.144 59.048 58.000 -0.160 0.000 1.212 139 F CB -0.413 38.415 39.000 -0.286 0.000 0.998 139 F HN -0.197 nan 8.300 nan 0.000 0.471 140 F N 0.558 120.511 119.950 0.005 0.000 2.234 140 F HA 0.010 4.536 4.527 -0.001 0.000 0.299 140 F C 2.533 178.238 175.800 -0.160 0.000 1.087 140 F CA 0.997 58.915 58.000 -0.136 0.000 1.340 140 F CB -1.445 37.549 39.000 -0.010 0.000 1.031 140 F HN 0.084 nan 8.300 nan 0.000 0.500 141 A N -0.339 122.525 122.820 0.074 0.000 1.902 141 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 141 A C 2.221 179.844 177.584 0.065 0.000 1.181 141 A CA 1.874 53.972 52.037 0.101 0.000 0.623 141 A CB -0.823 18.243 19.000 0.110 0.000 0.818 141 A HN 0.422 nan 8.150 nan 0.000 0.443 142 E N -0.600 119.524 120.200 -0.126 0.000 2.047 142 E HA -0.185 4.165 4.350 -0.001 0.000 0.191 142 E C 1.945 178.241 176.600 -0.507 0.000 0.987 142 E CA 1.233 57.437 56.400 -0.328 0.000 0.799 142 E CB -0.222 29.323 29.700 -0.259 0.000 0.752 142 E HN 0.408 nan 8.360 nan 0.000 0.449 143 L N 1.186 122.155 121.223 -0.424 0.000 2.013 143 L HA -0.203 4.136 4.340 -0.001 0.000 0.212 143 L C 2.479 179.253 176.870 -0.162 0.000 1.073 143 L CA 2.819 57.459 54.840 -0.333 0.000 0.753 143 L CB -1.058 40.691 42.059 -0.517 0.000 0.890 143 L HN 0.359 nan 8.230 nan 0.000 0.432 144 T N -3.563 110.943 114.554 -0.079 0.000 3.055 144 T HA -0.010 4.340 4.350 -0.001 0.000 0.265 144 T C 1.988 176.740 174.700 0.086 0.000 1.111 144 T CA 0.640 62.760 62.100 0.034 0.000 1.118 144 T CB -0.487 68.390 68.868 0.015 0.000 0.909 144 T HN 0.231 nan 8.240 nan 0.000 0.501 145 I N 0.820 121.340 120.570 -0.084 0.000 2.226 145 I HA -0.097 4.072 4.170 -0.001 0.000 0.245 145 I C 2.215 178.192 176.117 -0.233 0.000 1.100 145 I CA 1.407 62.522 61.300 -0.307 0.000 1.374 145 I CB -1.107 36.607 38.000 -0.477 0.000 1.057 145 I HN 0.227 nan 8.210 nan 0.000 0.413 146 Y N 1.373 121.607 120.300 -0.110 0.000 2.220 146 Y HA -0.167 4.382 4.550 -0.001 0.000 0.291 146 Y C 2.971 178.821 175.900 -0.083 0.000 1.129 146 Y CA 1.441 59.464 58.100 -0.128 0.000 1.161 146 Y CB -1.698 36.682 38.460 -0.133 0.000 0.997 146 Y HN 0.308 nan 8.280 nan 0.000 0.522 147 T N -2.238 112.371 114.554 0.092 0.000 2.777 147 T HA -0.187 4.162 4.350 -0.001 0.000 0.266 147 T C 2.174 176.923 174.700 0.081 0.000 1.040 147 T CA 1.540 63.686 62.100 0.076 0.000 1.141 147 T CB -0.980 67.925 68.868 0.062 0.000 0.868 147 T HN 0.403 nan 8.240 nan 0.000 0.444 148 S N 2.738 118.474 115.700 0.060 0.000 2.356 148 S HA -0.173 4.296 4.470 -0.001 0.000 0.223 148 S C 2.454 177.041 174.600 -0.023 0.000 1.032 148 S CA 1.585 59.803 58.200 0.031 0.000 1.005 148 S CB -1.216 61.997 63.200 0.022 0.000 0.867 148 S HN 0.814 nan 8.310 nan 0.000 0.449 149 S N 3.078 118.753 115.700 -0.042 0.000 2.368 149 S HA 0.102 4.572 4.470 -0.001 0.000 0.224 149 S C 2.168 176.769 174.600 0.001 0.000 1.029 149 S CA 0.887 59.066 58.200 -0.035 0.000 0.988 149 S CB -1.124 62.024 63.200 -0.086 0.000 0.838 149 S HN 0.824 nan 8.310 nan 0.000 0.462 150 A N 0.704 123.534 122.820 0.016 0.000 1.902 150 A HA -0.034 4.286 4.320 -0.001 0.000 0.217 150 A C 2.476 180.086 177.584 0.043 0.000 1.181 150 A CA 1.500 53.556 52.037 0.031 0.000 0.623 150 A CB -1.395 17.625 19.000 0.034 0.000 0.818 150 A HN 0.704 nan 8.150 nan 0.000 0.443 151 C N -1.479 117.835 119.300 0.023 0.000 2.486 151 C HA 0.117 4.576 4.460 -0.001 0.000 0.279 151 C C 2.482 177.411 174.990 -0.102 0.000 1.302 151 C CA 0.738 59.731 59.018 -0.042 0.000 1.720 151 C CB -1.131 26.508 27.740 -0.168 0.000 2.030 151 C HN 0.534 nan 8.230 nan 0.000 0.490 152 L N -0.037 121.110 121.223 -0.127 0.000 2.162 152 L HA 0.155 4.495 4.340 -0.001 0.000 0.205 152 L C 2.008 178.793 176.870 -0.143 0.000 1.086 152 L CA 1.743 56.500 54.840 -0.138 0.000 0.778 152 L CB -0.489 41.489 42.059 -0.136 0.000 0.928 152 L HN 0.288 nan 8.230 nan 0.000 0.446 153 I N -2.227 118.232 120.570 -0.185 0.000 3.194 153 I HA 0.412 4.582 4.170 -0.001 0.000 0.271 153 I C 0.758 176.769 176.117 -0.178 0.000 1.150 153 I CA 0.472 61.565 61.300 -0.345 0.000 1.440 153 I CB 0.378 37.953 38.000 -0.708 0.000 1.276 153 I HN 0.218 nan 8.210 nan 0.000 0.457 154 G N 0.459 109.231 108.800 -0.047 0.000 2.352 154 G HA2 0.060 4.020 3.960 -0.001 0.000 0.303 154 G HA3 0.060 4.020 3.960 -0.001 0.000 0.303 154 G C -0.362 174.573 174.900 0.059 0.000 1.593 154 G CA -0.681 44.432 45.100 0.022 0.000 0.963 154 G HN -0.055 nan 8.290 nan 0.000 0.685 155 K N 0.154 120.581 120.400 0.045 0.000 2.057 155 K HA -0.065 4.255 4.320 -0.001 0.000 0.207 155 K C 2.396 179.005 176.600 0.014 0.000 1.049 155 K CA 1.428 57.728 56.287 0.022 0.000 0.931 155 K CB 0.063 32.572 32.500 0.015 0.000 0.714 155 K HN 0.440 nan 8.250 nan 0.000 0.440 156 K N 0.616 121.041 120.400 0.042 0.000 2.063 156 K HA -0.189 4.130 4.320 -0.001 0.000 0.208 156 K C 2.041 178.682 176.600 0.068 0.000 1.048 156 K CA 1.353 57.668 56.287 0.046 0.000 0.928 156 K CB -0.141 32.399 32.500 0.067 0.000 0.713 156 K HN 0.058 nan 8.250 nan 0.000 0.442 157 F N 2.091 122.009 119.950 -0.053 0.000 2.113 157 F HA -0.132 4.394 4.527 -0.001 0.000 0.297 157 F C 2.482 178.221 175.800 -0.102 0.000 1.103 157 F CA 1.318 59.277 58.000 -0.068 0.000 1.248 157 F CB -0.313 38.614 39.000 -0.122 0.000 0.999 157 F HN -0.060 nan 8.300 nan 0.000 0.475 158 R N 0.897 121.313 120.500 -0.140 0.000 2.105 158 R HA -0.186 4.153 4.340 -0.001 0.000 0.239 158 R C 1.415 177.550 176.300 -0.274 0.000 1.135 158 R CA 2.086 58.038 56.100 -0.246 0.000 0.967 158 R CB -1.178 29.063 30.300 -0.098 0.000 0.861 158 R HN 0.277 nan 8.270 nan 0.000 0.442 159 D N 0.733 121.017 120.400 -0.194 0.000 2.350 159 D HA -0.105 4.535 4.640 -0.001 0.000 0.216 159 D C 1.215 177.407 176.300 -0.181 0.000 0.968 159 D CA 0.844 54.736 54.000 -0.180 0.000 0.894 159 D CB 0.053 40.787 40.800 -0.110 0.000 0.909 159 D HN 0.474 nan 8.370 nan 0.000 0.520 160 Q N -0.364 119.300 119.800 -0.227 0.000 2.319 160 Q HA 0.198 4.537 4.340 -0.001 0.000 0.202 160 Q C 0.321 176.182 176.000 -0.233 0.000 0.896 160 Q CA 0.009 55.695 55.803 -0.195 0.000 0.942 160 Q CB 1.105 29.750 28.738 -0.154 0.000 1.083 160 Q HN 0.245 nan 8.270 nan 0.000 0.510 161 L N 1.556 122.599 121.223 -0.300 0.000 2.360 161 L HA 0.337 4.676 4.340 -0.001 0.000 0.271 161 L C -0.155 176.704 176.870 -0.018 0.000 1.057 161 L CA -0.620 54.102 54.840 -0.198 0.000 0.803 161 L CB 0.923 42.777 42.059 -0.342 0.000 1.207 161 L HN 0.100 nan 8.230 nan 0.000 0.445 162 D N 0.028 120.498 120.400 0.117 0.000 2.958 162 D HA 0.219 4.859 4.640 -0.001 0.000 0.306 162 D C 0.902 177.351 176.300 0.247 0.000 1.226 162 D CA -0.139 53.971 54.000 0.183 0.000 1.032 162 D CB 0.467 41.316 40.800 0.080 0.000 1.400 162 D HN 0.414 nan 8.370 nan 0.000 0.587 163 G N -0.749 108.165 108.800 0.190 0.000 2.448 163 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.219 163 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.219 163 G C 1.342 176.311 174.900 0.115 0.000 1.127 163 G CA 0.696 45.875 45.100 0.132 0.000 0.766 163 G HN 0.361 nan 8.290 nan 0.000 0.552 164 R N -0.877 119.700 120.500 0.128 0.000 2.073 164 R HA -0.035 4.304 4.340 -0.001 0.000 0.234 164 R C 2.238 178.624 176.300 0.144 0.000 1.134 164 R CA 1.247 57.415 56.100 0.114 0.000 0.952 164 R CB -0.574 29.789 30.300 0.104 0.000 0.850 164 R HN 0.382 nan 8.270 nan 0.000 0.433 165 F N 1.454 121.432 119.950 0.047 0.000 2.095 165 F HA -0.247 4.280 4.527 -0.001 0.000 0.298 165 F C 2.346 178.175 175.800 0.049 0.000 1.104 165 F CA 1.600 59.635 58.000 0.059 0.000 1.232 165 F CB -0.370 38.650 39.000 0.033 0.000 0.987 165 F HN 0.025 nan 8.300 nan 0.000 0.475 166 A N 0.062 123.024 122.820 0.237 0.000 1.902 166 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 166 A C 2.274 179.926 177.584 0.113 0.000 1.181 166 A CA 1.561 53.661 52.037 0.105 0.000 0.623 166 A CB -0.546 18.429 19.000 -0.042 0.000 0.818 166 A HN 0.250 nan 8.150 nan 0.000 0.443 167 K N -0.120 120.331 120.400 0.085 0.000 2.057 167 K HA -0.034 4.285 4.320 -0.001 0.000 0.207 167 K C 1.903 178.562 176.600 0.098 0.000 1.049 167 K CA 1.204 57.541 56.287 0.083 0.000 0.931 167 K CB -0.714 31.820 32.500 0.057 0.000 0.714 167 K HN 0.562 nan 8.250 nan 0.000 0.440 168 L N -0.714 120.532 121.223 0.039 0.000 2.093 168 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 168 L C 2.462 179.317 176.870 -0.025 0.000 1.085 168 L CA 1.073 55.903 54.840 -0.018 0.000 0.755 168 L CB -0.498 41.501 42.059 -0.099 0.000 0.904 168 L HN 0.079 nan 8.230 nan 0.000 0.435 169 Y N -0.178 120.041 120.300 -0.136 0.000 2.224 169 Y HA -0.329 4.221 4.550 -0.001 0.000 0.289 169 Y C 2.830 178.749 175.900 0.031 0.000 1.146 169 Y CA 1.908 59.948 58.100 -0.100 0.000 1.182 169 Y CB -0.126 38.246 38.460 -0.145 0.000 0.983 169 Y HN 0.198 nan 8.280 nan 0.000 0.524 170 H N 0.059 119.214 119.070 0.142 0.000 2.352 170 H HA -0.143 4.413 4.556 -0.001 0.000 0.299 170 H C 2.064 177.423 175.328 0.051 0.000 1.097 170 H CA 2.142 58.264 56.048 0.124 0.000 1.311 170 H CB 0.042 29.868 29.762 0.107 0.000 1.377 170 H HN 0.240 nan 8.280 nan 0.000 0.504 171 E N -0.068 120.163 120.200 0.051 0.000 2.150 171 E HA -0.132 4.218 4.350 -0.001 0.000 0.193 171 E C 2.328 178.886 176.600 -0.070 0.000 0.985 171 E CA 0.668 57.055 56.400 -0.021 0.000 0.814 171 E CB -0.334 29.375 29.700 0.016 0.000 0.752 171 E HN 0.388 nan 8.360 nan 0.000 0.466 172 L N 1.703 122.862 121.223 -0.107 0.000 2.017 172 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 172 L C 1.960 178.791 176.870 -0.066 0.000 1.073 172 L CA 1.833 56.590 54.840 -0.139 0.000 0.745 172 L CB -0.308 41.563 42.059 -0.313 0.000 0.894 172 L HN 0.030 nan 8.230 nan 0.000 0.432 173 E N -0.986 119.176 120.200 -0.064 0.000 2.153 173 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 173 E C 2.097 178.647 176.600 -0.084 0.000 0.988 173 E CA 0.748 57.145 56.400 -0.005 0.000 0.811 173 E CB -0.106 29.565 29.700 -0.048 0.000 0.746 173 E HN 0.422 nan 8.360 nan 0.000 0.466 174 R N 0.110 120.515 120.500 -0.158 0.000 2.280 174 R HA -0.018 4.321 4.340 -0.001 0.000 0.207 174 R C 1.627 177.911 176.300 -0.028 0.000 1.043 174 R CA 0.747 56.769 56.100 -0.130 0.000 1.006 174 R CB -0.016 30.189 30.300 -0.158 0.000 0.885 174 R HN 0.065 nan 8.270 nan 0.000 0.467 175 G N 1.182 109.990 108.800 0.013 0.000 3.424 175 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.263 175 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.263 175 G C 0.602 175.603 174.900 0.169 0.000 1.310 175 G CA 0.017 45.193 45.100 0.126 0.000 1.089 175 G HN 0.251 nan 8.290 nan 0.000 0.534 176 T N -2.824 111.783 114.554 0.089 0.000 3.293 176 T HA 0.197 4.547 4.350 -0.001 0.000 0.276 176 T C 0.136 174.848 174.700 0.020 0.000 1.003 176 T CA -0.633 61.469 62.100 0.003 0.000 0.916 176 T CB 0.420 69.138 68.868 -0.251 0.000 1.134 176 T HN 0.164 nan 8.240 nan 0.000 0.530 177 D N 2.653 123.155 120.400 0.170 0.000 2.478 177 D HA 0.023 4.662 4.640 -0.001 0.000 0.234 177 D C -1.335 175.078 176.300 0.188 0.000 1.154 177 D CA -1.221 52.823 54.000 0.075 0.000 0.874 177 D CB 1.626 42.352 40.800 -0.123 0.000 1.198 177 D HN 0.062 nan 8.370 nan 0.000 0.455 178 P HA -0.045 nan 4.420 nan 0.000 0.230 178 P C 1.649 179.156 177.300 0.346 0.000 1.158 178 P CA 0.419 63.749 63.100 0.384 0.000 0.769 178 P CB 0.092 32.083 31.700 0.485 0.000 0.807 179 L N -0.719 120.619 121.223 0.193 0.000 2.450 179 L HA -0.180 4.160 4.340 -0.001 0.000 0.225 179 L C 2.300 179.331 176.870 0.268 0.000 1.145 179 L CA 1.007 55.923 54.840 0.126 0.000 0.801 179 L CB -0.832 41.196 42.059 -0.053 0.000 0.924 179 L HN -0.001 nan 8.230 nan 0.000 0.447 180 A N -1.127 121.912 122.820 0.364 0.000 2.121 180 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 180 A C 1.798 179.349 177.584 -0.055 0.000 1.154 180 A CA 0.999 53.129 52.037 0.155 0.000 0.679 180 A CB -0.564 18.488 19.000 0.086 0.000 0.795 180 A HN 0.427 nan 8.150 nan 0.000 0.458 181 Y N -0.842 119.534 120.300 0.125 0.000 2.457 181 Y HA -0.064 4.485 4.550 -0.001 0.000 0.292 181 Y C 2.310 178.228 175.900 0.030 0.000 1.125 181 Y CA 0.995 59.132 58.100 0.061 0.000 1.254 181 Y CB -0.116 38.371 38.460 0.044 0.000 1.012 181 Y HN 0.135 nan 8.280 nan 0.000 0.555 182 V N -0.626 119.367 119.914 0.132 0.000 2.231 182 V HA -0.129 3.990 4.120 -0.001 0.000 0.240 182 V C 0.177 176.311 176.094 0.066 0.000 1.039 182 V CA 1.678 64.019 62.300 0.068 0.000 0.998 182 V CB -0.137 31.689 31.823 0.005 0.000 0.639 182 V HN 0.245 nan 8.190 nan 0.000 0.451 183 D N -1.228 119.221 120.400 0.081 0.000 2.614 183 D HA 0.186 4.825 4.640 -0.001 0.000 0.203 183 D C -2.633 173.684 176.300 0.030 0.000 1.312 183 D CA -1.212 52.829 54.000 0.069 0.000 0.889 183 D CB 1.948 42.816 40.800 0.113 0.000 1.615 183 D HN 0.041 nan 8.370 nan 0.000 0.567 184 P HA 0.037 nan 4.420 nan 0.000 0.242 184 P C 0.317 177.007 177.300 -1.016 0.000 1.197 184 P CA 0.485 63.145 63.100 -0.733 0.000 0.765 184 P CB -0.144 31.055 31.700 -0.836 0.000 0.936 185 Y N -0.963 119.225 120.300 -0.187 0.000 2.584 185 Y HA 0.248 4.798 4.550 -0.001 0.000 0.254 185 Y C 1.360 177.322 175.900 0.104 0.000 1.177 185 Y CA -0.656 57.392 58.100 -0.086 0.000 1.216 185 Y CB -0.099 38.317 38.460 -0.073 0.000 1.172 185 Y HN -0.207 nan 8.280 nan 0.000 0.529 186 L N 3.576 125.005 121.223 0.343 0.000 2.499 186 L HA 0.046 4.386 4.340 -0.001 0.000 0.281 186 L C -1.659 175.387 176.870 0.293 0.000 1.234 186 L CA -1.414 53.605 54.840 0.299 0.000 0.839 186 L CB 0.342 42.552 42.059 0.251 0.000 1.104 186 L HN -0.019 nan 8.230 nan 0.000 0.500 187 P HA 0.135 nan 4.420 nan 0.000 0.226 187 P C -0.564 176.769 177.300 0.056 0.000 1.783 187 P CA 0.115 63.284 63.100 0.114 0.000 0.980 187 P CB -0.612 31.137 31.700 0.080 0.000 1.967 188 I N -3.043 117.538 120.570 0.018 0.000 2.607 188 I HA 0.462 4.631 4.170 -0.001 0.000 0.305 188 I C 1.520 177.597 176.117 -0.067 0.000 0.995 188 I CA -1.067 60.172 61.300 -0.101 0.000 1.148 188 I CB 1.880 39.697 38.000 -0.306 0.000 1.323 188 I HN -0.249 nan 8.210 nan 0.000 0.461 189 E N 2.783 122.944 120.200 -0.064 0.000 2.085 189 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 189 E C 1.898 178.490 176.600 -0.013 0.000 0.994 189 E CA 2.562 58.947 56.400 -0.024 0.000 0.801 189 E CB -0.120 29.565 29.700 -0.025 0.000 0.743 189 E HN 0.856 nan 8.360 nan 0.000 0.453 190 S N -0.654 115.004 115.700 -0.069 0.000 2.402 190 S HA -0.102 4.367 4.470 -0.001 0.000 0.229 190 S C 1.878 176.557 174.600 0.131 0.000 1.021 190 S CA 0.814 59.002 58.200 -0.020 0.000 0.974 190 S CB -0.545 62.605 63.200 -0.083 0.000 0.800 190 S HN 0.202 nan 8.310 nan 0.000 0.484 191 F N 2.326 122.256 119.950 -0.034 0.000 2.186 191 F HA 0.231 4.758 4.527 -0.001 0.000 0.299 191 F C 2.687 178.471 175.800 -0.027 0.000 1.090 191 F CA 0.281 58.254 58.000 -0.046 0.000 1.307 191 F CB -0.970 38.002 39.000 -0.046 0.000 1.019 191 F HN 0.248 nan 8.300 nan 0.000 0.489 192 R N 0.578 121.187 120.500 0.182 0.000 2.081 192 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 192 R C 2.340 178.681 176.300 0.067 0.000 1.131 192 R CA 1.327 57.489 56.100 0.103 0.000 0.960 192 R CB -0.088 30.255 30.300 0.072 0.000 0.856 192 R HN 0.175 nan 8.270 nan 0.000 0.436 193 R N -0.186 120.349 120.500 0.059 0.000 2.092 193 R HA -0.098 4.241 4.340 -0.001 0.000 0.231 193 R C 2.481 178.795 176.300 0.024 0.000 1.119 193 R CA 1.217 57.339 56.100 0.035 0.000 0.970 193 R CB -0.358 29.959 30.300 0.028 0.000 0.864 193 R HN 0.236 nan 8.270 nan 0.000 0.440 194 R N 1.215 121.737 120.500 0.037 0.000 2.080 194 R HA -0.179 4.161 4.340 -0.001 0.000 0.236 194 R C 1.183 177.470 176.300 -0.023 0.000 1.137 194 R CA 2.166 58.265 56.100 -0.002 0.000 0.943 194 R CB -0.180 30.122 30.300 0.003 0.000 0.846 194 R HN 0.134 nan 8.270 nan 0.000 0.431 195 D N 0.362 120.762 120.400 0.000 0.000 2.117 195 D HA -0.145 4.494 4.640 -0.001 0.000 0.197 195 D C 1.926 178.227 176.300 0.001 0.000 0.987 195 D CA 0.994 54.995 54.000 0.001 0.000 0.829 195 D CB -0.199 40.620 40.800 0.031 0.000 0.961 195 D HN 0.285 nan 8.370 nan 0.000 0.460 196 E N 0.711 120.916 120.200 0.009 0.000 2.077 196 E HA -0.098 4.251 4.350 -0.001 0.000 0.193 196 E C 2.091 178.687 176.600 -0.008 0.000 0.989 196 E CA 0.803 57.207 56.400 0.006 0.000 0.800 196 E CB -0.246 29.462 29.700 0.014 0.000 0.746 196 E HN 0.221 nan 8.360 nan 0.000 0.452 197 A N 1.297 124.105 122.820 -0.019 0.000 1.898 197 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 197 A C 2.221 179.766 177.584 -0.065 0.000 1.181 197 A CA 1.534 53.546 52.037 -0.042 0.000 0.620 197 A CB -0.448 18.521 19.000 -0.051 0.000 0.819 197 A HN 0.108 nan 8.150 nan 0.000 0.442 198 R N -0.241 120.221 120.500 -0.063 0.000 2.081 198 R HA -0.153 4.187 4.340 -0.001 0.000 0.235 198 R C 1.770 178.050 176.300 -0.033 0.000 1.131 198 R CA 1.645 57.707 56.100 -0.063 0.000 0.960 198 R CB -0.286 29.981 30.300 -0.056 0.000 0.856 198 R HN 0.522 nan 8.270 nan 0.000 0.436 199 N N -0.116 118.574 118.700 -0.017 0.000 2.149 199 N HA -0.126 4.614 4.740 -0.001 0.000 0.188 199 N C 1.681 177.191 175.510 0.000 0.000 1.019 199 N CA 1.534 54.583 53.050 -0.003 0.000 0.857 199 N CB -0.635 37.854 38.487 0.004 0.000 0.997 199 N HN 0.397 nan 8.380 nan 0.000 0.426 200 G N 1.049 109.844 108.800 -0.009 0.000 2.422 200 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.218 200 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.218 200 G C 1.710 176.605 174.900 -0.008 0.000 1.146 200 G CA 0.317 45.415 45.100 -0.004 0.000 0.769 200 G HN 0.232 nan 8.290 nan 0.000 0.547 201 L N 0.190 121.385 121.223 -0.047 0.000 2.056 201 L HA -0.048 4.291 4.340 -0.001 0.000 0.207 201 L C 2.976 179.882 176.870 0.059 0.000 1.078 201 L CA 0.310 55.114 54.840 -0.060 0.000 0.749 201 L CB -0.426 41.537 42.059 -0.161 0.000 0.901 201 L HN 0.069 nan 8.230 nan 0.000 0.433 202 V N 0.212 120.151 119.914 0.042 0.000 2.332 202 V HA -0.322 3.797 4.120 -0.001 0.000 0.248 202 V C 2.751 178.888 176.094 0.072 0.000 1.055 202 V CA 1.885 64.220 62.300 0.057 0.000 1.038 202 V CB -0.936 30.903 31.823 0.027 0.000 0.651 202 V HN 0.496 nan 8.190 nan 0.000 0.450 203 A N -0.425 122.430 122.820 0.058 0.000 1.930 203 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 203 A C 2.216 179.854 177.584 0.091 0.000 1.175 203 A CA 1.583 53.658 52.037 0.063 0.000 0.627 203 A CB -0.467 18.560 19.000 0.046 0.000 0.815 203 A HN 0.505 nan 8.150 nan 0.000 0.443 204 L N -0.610 120.684 121.223 0.118 0.000 2.046 204 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 204 L C 2.523 179.518 176.870 0.209 0.000 1.077 204 L CA 1.137 56.076 54.840 0.165 0.000 0.747 204 L CB -0.567 41.628 42.059 0.227 0.000 0.896 204 L HN 0.255 nan 8.230 nan 0.000 0.432 205 V N -0.013 120.052 119.914 0.253 0.000 2.358 205 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 205 V C 2.764 178.967 176.094 0.182 0.000 1.047 205 V CA 1.651 64.126 62.300 0.291 0.000 1.035 205 V CB -0.824 31.173 31.823 0.291 0.000 0.658 205 V HN 0.464 nan 8.190 nan 0.000 0.452 206 A N 0.103 122.996 122.820 0.122 0.000 1.917 206 A HA -0.290 4.029 4.320 -0.001 0.000 0.219 206 A C 1.978 179.615 177.584 0.089 0.000 1.182 206 A CA 2.218 54.307 52.037 0.086 0.000 0.633 206 A CB -0.668 18.369 19.000 0.062 0.000 0.819 206 A HN 0.549 nan 8.150 nan 0.000 0.448 207 D N -0.104 120.353 120.400 0.094 0.000 2.144 207 D HA -0.106 4.533 4.640 -0.001 0.000 0.199 207 D C 1.851 178.205 176.300 0.090 0.000 0.984 207 D CA 1.130 55.179 54.000 0.081 0.000 0.834 207 D CB -0.341 40.505 40.800 0.077 0.000 0.955 207 D HN 0.550 nan 8.370 nan 0.000 0.465 208 I N 0.333 120.977 120.570 0.123 0.000 2.202 208 I HA -0.247 3.922 4.170 -0.001 0.000 0.242 208 I C 2.470 178.665 176.117 0.130 0.000 1.091 208 I CA 0.810 62.191 61.300 0.136 0.000 1.368 208 I CB -0.156 37.969 38.000 0.208 0.000 1.058 208 I HN -0.051 nan 8.210 nan 0.000 0.410 209 M N 0.239 119.919 119.600 0.132 0.000 2.080 209 M HA -0.219 4.260 4.480 -0.001 0.000 0.260 209 M C 2.040 178.386 176.300 0.077 0.000 1.068 209 M CA 1.770 57.133 55.300 0.105 0.000 1.109 209 M CB -0.547 32.105 32.600 0.086 0.000 1.342 209 M HN 0.253 nan 8.290 nan 0.000 0.405 210 N N 0.378 119.119 118.700 0.068 0.000 2.120 210 N HA -0.087 4.653 4.740 -0.001 0.000 0.188 210 N C 1.813 177.353 175.510 0.049 0.000 1.024 210 N CA 1.698 54.779 53.050 0.052 0.000 0.852 210 N CB -0.807 37.708 38.487 0.046 0.000 1.003 210 N HN 0.448 nan 8.380 nan 0.000 0.424 211 G N 1.144 109.977 108.800 0.055 0.000 2.450 211 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.220 211 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.220 211 G C 1.688 176.617 174.900 0.049 0.000 1.130 211 G CA 0.380 45.508 45.100 0.048 0.000 0.760 211 G HN 0.310 nan 8.290 nan 0.000 0.557 212 R N -0.654 119.882 120.500 0.060 0.000 2.193 212 R HA 0.143 4.482 4.340 -0.001 0.000 0.213 212 R C 2.370 178.699 176.300 0.049 0.000 1.055 212 R CA 0.331 56.467 56.100 0.060 0.000 0.995 212 R CB -0.215 30.132 30.300 0.078 0.000 0.893 212 R HN 0.346 nan 8.270 nan 0.000 0.459 213 I N 0.695 121.293 120.570 0.046 0.000 2.315 213 I HA -0.211 3.958 4.170 -0.001 0.000 0.248 213 I C 2.270 178.405 176.117 0.031 0.000 1.117 213 I CA 1.267 62.589 61.300 0.037 0.000 1.404 213 I CB -0.151 37.870 38.000 0.034 0.000 1.071 213 I HN 0.106 nan 8.210 nan 0.000 0.419 214 A N 0.101 122.939 122.820 0.030 0.000 2.206 214 A HA 0.107 4.426 4.320 -0.001 0.000 0.211 214 A C 1.295 178.894 177.584 0.024 0.000 1.158 214 A CA 1.183 53.235 52.037 0.025 0.000 0.761 214 A CB -1.543 17.471 19.000 0.024 0.000 0.801 214 A HN 0.484 nan 8.150 nan 0.000 0.473 224 D N -0.294 120.142 120.400 0.061 0.000 2.243 224 D HA -0.125 4.514 4.640 -0.001 0.000 0.237 224 D C 1.315 177.654 176.300 0.065 0.000 1.364 224 D CA -0.270 53.764 54.000 0.057 0.000 0.927 224 D CB 0.688 41.525 40.800 0.062 0.000 1.216 224 D HN 0.128 nan 8.370 nan 0.000 0.517 225 M N -0.891 118.737 119.600 0.046 0.000 2.149 225 M HA -0.151 4.328 4.480 -0.001 0.000 0.261 225 M C 1.868 178.257 176.300 0.147 0.000 1.064 225 M CA 1.215 56.563 55.300 0.081 0.000 1.102 225 M CB -0.203 32.416 32.600 0.031 0.000 1.369 225 M HN 0.451 nan 8.290 nan 0.000 0.408 226 L N 0.861 122.179 121.223 0.158 0.000 2.056 226 L HA -0.197 4.143 4.340 -0.001 0.000 0.207 226 L C 1.741 178.691 176.870 0.133 0.000 1.078 226 L CA 1.998 56.958 54.840 0.199 0.000 0.749 226 L CB -0.945 41.252 42.059 0.229 0.000 0.901 226 L HN 0.291 nan 8.230 nan 0.000 0.433 227 D N -0.660 119.810 120.400 0.117 0.000 2.123 227 D HA -0.180 4.459 4.640 -0.001 0.000 0.196 227 D C 2.295 178.652 176.300 0.095 0.000 0.992 227 D CA 1.797 55.855 54.000 0.097 0.000 0.833 227 D CB -0.278 40.571 40.800 0.082 0.000 0.954 227 D HN 0.306 nan 8.370 nan 0.000 0.455 228 V N 1.366 121.341 119.914 0.102 0.000 2.287 228 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 228 V C 2.722 178.899 176.094 0.138 0.000 1.053 228 V CA 1.275 63.643 62.300 0.114 0.000 1.027 228 V CB -0.578 31.320 31.823 0.125 0.000 0.646 228 V HN 0.175 nan 8.190 nan 0.000 0.447 229 L N -0.802 120.502 121.223 0.135 0.000 2.093 229 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 229 L C 2.367 179.347 176.870 0.183 0.000 1.085 229 L CA 1.478 56.410 54.840 0.152 0.000 0.755 229 L CB -0.478 41.570 42.059 -0.018 0.000 0.904 229 L HN 0.259 nan 8.230 nan 0.000 0.435 230 I N 0.001 120.640 120.570 0.115 0.000 2.361 230 I HA -0.272 3.898 4.170 -0.001 0.000 0.251 230 I C 2.560 178.723 176.117 0.077 0.000 1.133 230 I CA 1.183 62.538 61.300 0.092 0.000 1.413 230 I CB -0.297 37.750 38.000 0.077 0.000 1.073 230 I HN 0.206 nan 8.210 nan 0.000 0.424 231 A N 0.093 122.962 122.820 0.082 0.000 2.169 231 A HA 0.102 4.422 4.320 -0.001 0.000 0.212 231 A C 1.108 178.718 177.584 0.043 0.000 1.153 231 A CA 0.109 52.181 52.037 0.057 0.000 0.756 231 A CB -0.335 18.700 19.000 0.059 0.000 0.813 231 A HN 0.128 nan 8.150 nan 0.000 0.471 232 V N 1.307 121.258 119.914 0.063 0.000 2.529 232 V HA 0.143 4.262 4.120 -0.001 0.000 0.292 232 V C 0.169 176.209 176.094 -0.089 0.000 1.028 232 V CA 0.311 62.616 62.300 0.008 0.000 1.074 232 V CB 0.622 32.471 31.823 0.043 0.000 0.958 232 V HN 0.354 nan 8.190 nan 0.000 0.481 233 K N 3.480 123.829 120.400 -0.084 0.000 2.164 233 K HA 0.751 5.070 4.320 -0.001 0.000 0.258 233 K C 0.135 176.658 176.600 -0.129 0.000 0.951 233 K CA -0.124 56.104 56.287 -0.097 0.000 0.844 233 K CB 1.745 34.213 32.500 -0.052 0.000 1.099 233 K HN 0.816 nan 8.250 nan 0.000 0.435 234 A N 1.412 124.149 122.820 -0.138 0.000 2.280 234 A HA 0.118 4.438 4.320 -0.001 0.000 0.268 234 A C 1.064 178.602 177.584 -0.076 0.000 1.111 234 A CA 0.234 52.197 52.037 -0.124 0.000 0.814 234 A CB 0.007 18.932 19.000 -0.124 0.000 1.093 234 A HN 0.948 nan 8.150 nan 0.000 0.498 235 E N -0.680 119.482 120.200 -0.063 0.000 2.130 235 E HA -0.261 4.089 4.350 -0.001 0.000 0.196 235 E C 1.364 177.942 176.600 -0.036 0.000 0.998 235 E CA 1.921 58.296 56.400 -0.042 0.000 0.806 235 E CB -0.741 28.938 29.700 -0.035 0.000 0.738 235 E HN 0.743 nan 8.360 nan 0.000 0.459 236 T N -3.637 110.894 114.554 -0.038 0.000 3.088 236 T HA 0.319 4.668 4.350 -0.001 0.000 0.259 236 T C 1.548 176.230 174.700 -0.029 0.000 1.122 236 T CA 0.689 62.771 62.100 -0.030 0.000 1.095 236 T CB 0.472 69.322 68.868 -0.029 0.000 0.930 236 T HN 0.517 nan 8.240 nan 0.000 0.508 237 G N 1.231 110.010 108.800 -0.036 0.000 2.211 237 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.201 237 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.201 237 G C 0.301 175.179 174.900 -0.037 0.000 0.997 237 G CA 0.052 45.133 45.100 -0.032 0.000 0.652 237 G HN 1.127 nan 8.290 nan 0.000 0.500 238 T N 0.753 115.280 114.554 -0.045 0.000 2.919 238 T HA 0.545 4.895 4.350 -0.001 0.000 0.302 238 T C -2.210 172.448 174.700 -0.070 0.000 1.031 238 T CA -1.094 60.977 62.100 -0.048 0.000 1.127 238 T CB 1.606 70.445 68.868 -0.049 0.000 0.952 238 T HN 0.105 nan 8.240 nan 0.000 0.540 239 P HA 0.190 nan 4.420 nan 0.000 0.265 239 P C 0.584 177.793 177.300 -0.151 0.000 1.193 239 P CA -0.448 62.603 63.100 -0.080 0.000 0.765 239 P CB 0.566 32.244 31.700 -0.036 0.000 0.823 240 R N 2.546 122.877 120.500 -0.282 0.000 2.090 240 R HA 0.042 4.382 4.340 -0.001 0.000 0.228 240 R C 0.035 176.003 176.300 -0.552 0.000 1.110 240 R CA 1.168 56.957 56.100 -0.520 0.000 0.973 240 R CB -0.074 29.701 30.300 -0.876 0.000 0.869 240 R HN 0.313 nan 8.270 nan 0.000 0.440 241 F N 0.625 120.529 119.950 -0.077 0.000 2.469 241 F HA 0.331 4.857 4.527 -0.001 0.000 0.332 241 F C 0.351 176.097 175.800 -0.090 0.000 1.103 241 F CA -1.269 56.668 58.000 -0.105 0.000 0.979 241 F CB 1.736 40.645 39.000 -0.153 0.000 1.137 241 F HN -0.020 nan 8.300 nan 0.000 0.463 242 S N 1.332 117.102 115.700 0.117 0.000 2.652 242 S HA 0.609 5.078 4.470 -0.001 0.000 0.270 242 S C 1.122 175.724 174.600 0.004 0.000 1.243 242 S CA -0.246 57.978 58.200 0.039 0.000 0.999 242 S CB 1.441 64.653 63.200 0.020 0.000 0.973 242 S HN 0.804 nan 8.310 nan 0.000 0.544 243 A N 0.743 123.561 122.820 -0.002 0.000 1.940 243 A HA -0.145 4.175 4.320 -0.001 0.000 0.219 243 A C 1.781 179.340 177.584 -0.042 0.000 1.176 243 A CA 2.205 54.231 52.037 -0.018 0.000 0.631 243 A CB -1.517 17.492 19.000 0.016 0.000 0.814 243 A HN 1.028 nan 8.150 nan 0.000 0.446 244 D N -0.796 119.590 120.400 -0.025 0.000 2.117 244 D HA -0.159 4.480 4.640 -0.001 0.000 0.197 244 D C 1.883 178.144 176.300 -0.064 0.000 0.987 244 D CA 1.679 55.661 54.000 -0.029 0.000 0.829 244 D CB -0.122 40.670 40.800 -0.013 0.000 0.961 244 D HN 0.631 nan 8.370 nan 0.000 0.460 245 E N -0.293 119.861 120.200 -0.076 0.000 2.047 245 E HA -0.127 4.223 4.350 -0.001 0.000 0.191 245 E C 2.344 178.785 176.600 -0.264 0.000 0.987 245 E CA 0.845 57.168 56.400 -0.129 0.000 0.799 245 E CB -0.040 29.620 29.700 -0.067 0.000 0.752 245 E HN 0.416 nan 8.360 nan 0.000 0.449 246 I N 0.865 121.241 120.570 -0.324 0.000 2.179 246 I HA -0.273 3.896 4.170 -0.001 0.000 0.242 246 I C 2.402 178.148 176.117 -0.619 0.000 1.088 246 I CA 1.213 62.160 61.300 -0.588 0.000 1.357 246 I CB -0.396 37.263 38.000 -0.567 0.000 1.051 246 I HN 0.131 nan 8.210 nan 0.000 0.409 247 T N 0.449 114.817 114.554 -0.309 0.000 2.746 247 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 247 T C 1.934 176.634 174.700 -0.001 0.000 1.039 247 T CA 1.494 63.540 62.100 -0.091 0.000 1.142 247 T CB -0.814 68.072 68.868 0.029 0.000 0.866 247 T HN 0.593 nan 8.240 nan 0.000 0.444 248 G N 1.117 109.894 108.800 -0.039 0.000 2.440 248 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.218 248 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.218 248 G C 1.564 176.495 174.900 0.052 0.000 1.154 248 G CA 1.052 46.165 45.100 0.023 0.000 0.767 248 G HN 0.444 nan 8.290 nan 0.000 0.552 249 M N -0.716 118.851 119.600 -0.055 0.000 2.099 249 M HA 0.041 4.520 4.480 -0.001 0.000 0.262 249 M C 2.264 178.693 176.300 0.216 0.000 1.067 249 M CA 1.346 56.645 55.300 -0.002 0.000 1.124 249 M CB -0.123 32.395 32.600 -0.137 0.000 1.353 249 M HN 0.168 nan 8.290 nan 0.000 0.410 250 F N 0.827 120.782 119.950 0.009 0.000 2.102 250 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 250 F C 2.247 178.179 175.800 0.220 0.000 1.105 250 F CA 1.119 59.152 58.000 0.055 0.000 1.239 250 F CB -1.268 37.742 39.000 0.018 0.000 0.991 250 F HN 0.168 nan 8.300 nan 0.000 0.474 251 I N -0.634 120.231 120.570 0.491 0.000 2.163 251 I HA -0.341 3.829 4.170 -0.001 0.000 0.243 251 I C 2.381 178.808 176.117 0.518 0.000 1.085 251 I CA 1.507 63.136 61.300 0.547 0.000 1.347 251 I CB -0.593 37.611 38.000 0.340 0.000 1.044 251 I HN 0.008 nan 8.210 nan 0.000 0.408 252 S N 0.370 116.297 115.700 0.379 0.000 2.383 252 S HA -0.134 4.336 4.470 -0.001 0.000 0.227 252 S C 1.981 176.774 174.600 0.321 0.000 1.026 252 S CA 1.317 59.745 58.200 0.381 0.000 0.981 252 S CB -0.224 63.141 63.200 0.274 0.000 0.818 252 S HN 0.351 nan 8.310 nan 0.000 0.472 253 M N 0.415 120.146 119.600 0.217 0.000 2.213 253 M HA -0.000 4.479 4.480 -0.001 0.000 0.263 253 M C 1.927 178.361 176.300 0.223 0.000 1.062 253 M CA 1.369 56.733 55.300 0.106 0.000 1.105 253 M CB -0.382 32.247 32.600 0.049 0.000 1.385 253 M HN 0.289 nan 8.290 nan 0.000 0.417 254 M N -1.859 117.921 119.600 0.301 0.000 2.509 254 M HA 0.018 4.497 4.480 -0.001 0.000 0.250 254 M C 1.690 178.205 176.300 0.358 0.000 1.132 254 M CA 0.477 55.921 55.300 0.240 0.000 1.080 254 M CB 0.011 32.686 32.600 0.126 0.000 1.408 254 M HN 0.161 nan 8.290 nan 0.000 0.484 255 F N 1.393 121.588 119.950 0.408 0.000 2.084 255 F HA -0.137 4.390 4.527 -0.001 0.000 0.296 255 F C 2.409 178.455 175.800 0.411 0.000 1.111 255 F CA 1.848 60.145 58.000 0.495 0.000 1.224 255 F CB -0.172 39.087 39.000 0.432 0.000 0.991 255 F HN 0.081 nan 8.300 nan 0.000 0.471 256 A N -0.017 123.112 122.820 0.515 0.000 1.908 256 A HA -0.104 4.216 4.320 -0.001 0.000 0.218 256 A C 2.372 179.973 177.584 0.027 0.000 1.181 256 A CA 1.798 54.000 52.037 0.275 0.000 0.627 256 A CB -1.763 17.331 19.000 0.156 0.000 0.818 256 A HN 0.507 nan 8.150 nan 0.000 0.445 257 G N -2.379 106.456 108.800 0.059 0.000 2.551 257 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.216 257 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.216 257 G C 1.469 176.367 174.900 -0.004 0.000 1.137 257 G CA 0.908 46.018 45.100 0.016 0.000 0.798 257 G HN 0.729 nan 8.290 nan 0.000 0.536 258 H N 1.322 120.351 119.070 -0.069 0.000 2.268 258 H HA -0.152 4.403 4.556 -0.001 0.000 0.304 258 H C 2.526 177.817 175.328 -0.062 0.000 1.064 258 H CA 1.920 57.921 56.048 -0.078 0.000 1.316 258 H CB -0.192 29.498 29.762 -0.120 0.000 1.386 258 H HN 0.605 nan 8.280 nan 0.000 0.496 259 H N -0.224 118.700 119.070 -0.242 0.000 2.421 259 H HA -0.072 4.484 4.556 -0.001 0.000 0.298 259 H C 2.225 177.462 175.328 -0.152 0.000 1.087 259 H CA 2.080 57.986 56.048 -0.237 0.000 1.330 259 H CB -0.645 29.029 29.762 -0.147 0.000 1.388 259 H HN 0.359 nan 8.280 nan 0.000 0.526 260 T N -1.311 112.864 114.554 -0.633 0.000 2.770 260 T HA -0.193 4.157 4.350 -0.001 0.000 0.263 260 T C 2.306 176.901 174.700 -0.175 0.000 1.039 260 T CA 1.318 63.193 62.100 -0.375 0.000 1.142 260 T CB -0.822 67.833 68.868 -0.354 0.000 0.868 260 T HN 0.581 nan 8.240 nan 0.000 0.435 261 S N 1.666 117.273 115.700 -0.155 0.000 2.368 261 S HA -0.131 4.338 4.470 -0.001 0.000 0.225 261 S C 2.395 176.908 174.600 -0.145 0.000 1.030 261 S CA 1.417 59.561 58.200 -0.094 0.000 0.999 261 S CB -1.119 62.061 63.200 -0.032 0.000 0.844 261 S HN 0.534 nan 8.310 nan 0.000 0.459 262 S N 1.873 117.447 115.700 -0.210 0.000 2.353 262 S HA -0.018 4.452 4.470 -0.001 0.000 0.222 262 S C 2.088 176.611 174.600 -0.130 0.000 1.035 262 S CA 1.664 59.761 58.200 -0.171 0.000 1.025 262 S CB -1.406 61.631 63.200 -0.272 0.000 0.902 262 S HN 0.749 nan 8.310 nan 0.000 0.440 263 G N -0.004 108.759 108.800 -0.063 0.000 2.402 263 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.216 263 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.216 263 G C 1.534 176.474 174.900 0.067 0.000 1.162 263 G CA 1.436 46.568 45.100 0.054 0.000 0.777 263 G HN 0.568 nan 8.290 nan 0.000 0.539 264 T N 1.649 116.200 114.554 -0.005 0.000 2.788 264 T HA 0.034 4.384 4.350 -0.001 0.000 0.268 264 T C 2.802 177.453 174.700 -0.081 0.000 1.044 264 T CA 1.428 63.526 62.100 -0.003 0.000 1.139 264 T CB -0.317 68.533 68.868 -0.030 0.000 0.867 264 T HN 0.367 nan 8.240 nan 0.000 0.454 265 A N 1.408 124.088 122.820 -0.233 0.000 1.877 265 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 265 A C 2.621 179.812 177.584 -0.656 0.000 1.186 265 A CA 1.939 53.705 52.037 -0.452 0.000 0.620 265 A CB -0.906 17.515 19.000 -0.966 0.000 0.822 265 A HN 0.438 nan 8.150 nan 0.000 0.443 266 S N -1.339 113.966 115.700 -0.659 0.000 2.359 266 S HA -0.216 4.253 4.470 -0.001 0.000 0.224 266 S C 1.600 175.955 174.600 -0.409 0.000 1.035 266 S CA 1.524 59.467 58.200 -0.427 0.000 1.018 266 S CB -0.515 62.493 63.200 -0.320 0.000 0.876 266 S HN 0.781 nan 8.310 nan 0.000 0.448 267 W N 1.677 122.833 121.300 -0.239 0.000 2.436 267 W HA -0.033 4.627 4.660 -0.001 0.000 0.284 267 W C 2.684 179.061 176.519 -0.237 0.000 1.225 267 W CA 0.923 58.103 57.345 -0.276 0.000 1.271 267 W CB -0.832 28.441 29.460 -0.313 0.000 1.114 267 W HN 0.196 nan 8.180 nan 0.000 0.559 268 T N 0.923 115.446 114.554 -0.052 0.000 2.746 268 T HA -0.221 4.128 4.350 -0.001 0.000 0.267 268 T C 1.728 176.227 174.700 -0.334 0.000 1.039 268 T CA 1.392 63.355 62.100 -0.228 0.000 1.142 268 T CB -0.615 67.968 68.868 -0.475 0.000 0.866 268 T HN -0.039 nan 8.240 nan 0.000 0.444 269 L N 0.877 121.947 121.223 -0.255 0.000 2.056 269 L HA 0.104 4.444 4.340 -0.001 0.000 0.207 269 L C 2.115 178.816 176.870 -0.281 0.000 1.078 269 L CA 1.391 56.103 54.840 -0.213 0.000 0.749 269 L CB -0.635 41.411 42.059 -0.022 0.000 0.901 269 L HN 0.270 nan 8.230 nan 0.000 0.433 270 I N -0.587 119.789 120.570 -0.323 0.000 2.163 270 I HA -0.256 3.913 4.170 -0.001 0.000 0.243 270 I C 2.360 178.331 176.117 -0.243 0.000 1.085 270 I CA 1.155 62.210 61.300 -0.407 0.000 1.347 270 I CB -0.417 37.231 38.000 -0.586 0.000 1.044 270 I HN 0.279 nan 8.210 nan 0.000 0.408 271 E N 0.628 120.731 120.200 -0.161 0.000 2.150 271 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 271 E C 2.362 178.791 176.600 -0.285 0.000 0.985 271 E CA 1.019 57.270 56.400 -0.249 0.000 0.814 271 E CB -0.236 29.247 29.700 -0.362 0.000 0.752 271 E HN 0.508 nan 8.360 nan 0.000 0.466 272 L N 0.120 121.193 121.223 -0.250 0.000 2.046 272 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 272 L C 2.650 179.473 176.870 -0.078 0.000 1.077 272 L CA 1.130 55.840 54.840 -0.216 0.000 0.747 272 L CB -0.363 41.387 42.059 -0.515 0.000 0.896 272 L HN 0.134 nan 8.230 nan 0.000 0.432 273 M N -1.078 118.453 119.600 -0.115 0.000 2.229 273 M HA -0.172 4.307 4.480 -0.001 0.000 0.264 273 M C 2.280 178.565 176.300 -0.025 0.000 1.063 273 M CA 1.559 56.879 55.300 0.035 0.000 1.114 273 M CB -0.317 32.266 32.600 -0.029 0.000 1.387 273 M HN 0.123 nan 8.290 nan 0.000 0.420 274 R N -0.743 119.668 120.500 -0.150 0.000 2.235 274 R HA -0.013 4.327 4.340 -0.001 0.000 0.213 274 R C 0.104 176.069 176.300 -0.559 0.000 1.059 274 R CA 0.669 56.581 56.100 -0.312 0.000 0.997 274 R CB 0.060 30.142 30.300 -0.365 0.000 0.884 274 R HN 0.412 nan 8.270 nan 0.000 0.462 275 H N -0.041 118.997 119.070 -0.053 0.000 2.448 275 H HA 0.248 4.803 4.556 -0.001 0.000 0.237 275 H C 0.312 175.713 175.328 0.121 0.000 1.391 275 H CA -0.404 55.659 56.048 0.025 0.000 1.477 275 H CB 0.831 30.579 29.762 -0.022 0.000 1.520 275 H HN -0.059 nan 8.280 nan 0.000 0.502 276 R N 0.878 121.480 120.500 0.170 0.000 2.237 276 R HA -0.084 4.256 4.340 -0.001 0.000 0.219 276 R C 1.275 177.682 176.300 0.180 0.000 1.080 276 R CA 0.650 56.864 56.100 0.190 0.000 0.995 276 R CB 0.014 30.373 30.300 0.100 0.000 0.875 276 R HN 0.628 nan 8.270 nan 0.000 0.462 277 D N 0.559 121.067 120.400 0.181 0.000 2.117 277 D HA -0.107 4.533 4.640 -0.001 0.000 0.198 277 D C 1.616 178.032 176.300 0.193 0.000 0.982 277 D CA 1.288 55.385 54.000 0.160 0.000 0.828 277 D CB -0.327 40.560 40.800 0.145 0.000 0.967 277 D HN 0.087 nan 8.370 nan 0.000 0.464 278 A N 0.056 123.032 122.820 0.261 0.000 1.898 278 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 278 A C 2.266 180.023 177.584 0.288 0.000 1.181 278 A CA 1.196 53.396 52.037 0.272 0.000 0.620 278 A CB -1.204 18.031 19.000 0.392 0.000 0.819 278 A HN 0.290 nan 8.150 nan 0.000 0.442 279 Y N 0.850 121.234 120.300 0.139 0.000 2.128 279 Y HA -0.168 4.381 4.550 -0.001 0.000 0.284 279 Y C 2.758 178.723 175.900 0.108 0.000 1.154 279 Y CA 0.940 59.109 58.100 0.115 0.000 1.149 279 Y CB -1.096 37.428 38.460 0.106 0.000 0.976 279 Y HN 0.325 nan 8.280 nan 0.000 0.505 280 A N 0.259 123.203 122.820 0.207 0.000 1.908 280 A HA -0.115 4.204 4.320 -0.001 0.000 0.218 280 A C 2.537 180.194 177.584 0.122 0.000 1.181 280 A CA 2.262 54.352 52.037 0.087 0.000 0.627 280 A CB -1.395 17.631 19.000 0.044 0.000 0.818 280 A HN 0.535 nan 8.150 nan 0.000 0.445 281 A N -0.682 122.222 122.820 0.139 0.000 1.902 281 A HA 0.012 4.332 4.320 -0.001 0.000 0.217 281 A C 2.230 179.892 177.584 0.130 0.000 1.181 281 A CA 1.764 53.871 52.037 0.117 0.000 0.623 281 A CB -0.876 18.189 19.000 0.109 0.000 0.818 281 A HN 0.388 nan 8.150 nan 0.000 0.443 282 V N 0.539 120.557 119.914 0.174 0.000 2.358 282 V HA -0.227 3.893 4.120 -0.001 0.000 0.246 282 V C 2.442 178.650 176.094 0.190 0.000 1.047 282 V CA 1.631 64.034 62.300 0.172 0.000 1.035 282 V CB -0.619 31.310 31.823 0.176 0.000 0.658 282 V HN 0.501 nan 8.190 nan 0.000 0.452 283 I N 0.305 121.013 120.570 0.230 0.000 2.163 283 I HA -0.214 3.956 4.170 -0.001 0.000 0.243 283 I C 2.333 178.528 176.117 0.130 0.000 1.085 283 I CA 1.756 63.174 61.300 0.195 0.000 1.347 283 I CB -1.296 36.797 38.000 0.156 0.000 1.044 283 I HN 0.346 nan 8.210 nan 0.000 0.408 284 D N 0.451 120.913 120.400 0.103 0.000 2.104 284 D HA -0.232 4.407 4.640 -0.001 0.000 0.194 284 D C 2.113 178.460 176.300 0.077 0.000 0.994 284 D CA 1.316 55.361 54.000 0.076 0.000 0.830 284 D CB -0.205 40.632 40.800 0.061 0.000 0.959 284 D HN 0.473 nan 8.370 nan 0.000 0.452 285 E N 0.301 120.552 120.200 0.084 0.000 2.077 285 E HA -0.151 4.198 4.350 -0.001 0.000 0.193 285 E C 2.268 178.916 176.600 0.079 0.000 0.989 285 E CA 0.616 57.057 56.400 0.069 0.000 0.800 285 E CB -0.121 29.621 29.700 0.069 0.000 0.746 285 E HN 0.223 nan 8.360 nan 0.000 0.452 286 L N 0.918 122.219 121.223 0.131 0.000 2.056 286 L HA -0.176 4.163 4.340 -0.001 0.000 0.207 286 L C 2.210 179.208 176.870 0.213 0.000 1.078 286 L CA 1.163 56.128 54.840 0.208 0.000 0.749 286 L CB -0.337 41.864 42.059 0.236 0.000 0.901 286 L HN 0.136 nan 8.230 nan 0.000 0.433 287 D N -0.006 120.478 120.400 0.140 0.000 2.117 287 D HA -0.176 4.463 4.640 -0.001 0.000 0.197 287 D C 2.134 178.488 176.300 0.090 0.000 0.987 287 D CA 1.147 55.214 54.000 0.112 0.000 0.829 287 D CB -0.020 40.826 40.800 0.076 0.000 0.961 287 D HN 0.385 nan 8.370 nan 0.000 0.460 288 E N -0.107 120.130 120.200 0.061 0.000 2.072 288 E HA -0.121 4.229 4.350 -0.001 0.000 0.191 288 E C 2.091 178.689 176.600 -0.004 0.000 0.985 288 E CA 0.215 56.635 56.400 0.032 0.000 0.801 288 E CB -0.045 29.671 29.700 0.025 0.000 0.750 288 E HN 0.100 nan 8.360 nan 0.000 0.452 289 L N 0.081 121.266 121.223 -0.063 0.000 2.017 289 L HA -0.181 4.158 4.340 -0.001 0.000 0.208 289 L C 1.834 178.461 176.870 -0.405 0.000 1.073 289 L CA 1.740 56.418 54.840 -0.270 0.000 0.745 289 L CB -0.417 41.381 42.059 -0.435 0.000 0.894 289 L HN 0.112 nan 8.230 nan 0.000 0.432 290 Y N -0.485 119.699 120.300 -0.195 0.000 2.583 290 Y HA 0.069 4.619 4.550 -0.001 0.000 0.293 290 Y C 2.299 178.205 175.900 0.010 0.000 1.157 290 Y CA 0.661 58.709 58.100 -0.088 0.000 1.315 290 Y CB -0.559 37.879 38.460 -0.036 0.000 1.021 290 Y HN 0.275 nan 8.280 nan 0.000 0.536 291 G N 0.142 109.002 108.800 0.100 0.000 2.535 291 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.218 291 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.218 291 G C 1.067 176.006 174.900 0.065 0.000 1.122 291 G CA 1.042 46.188 45.100 0.077 0.000 0.769 291 G HN 0.502 nan 8.290 nan 0.000 0.549 292 D N -0.767 119.678 120.400 0.075 0.000 2.349 292 D HA 0.167 4.807 4.640 -0.001 0.000 0.224 292 D C 1.810 178.138 176.300 0.046 0.000 1.029 292 D CA 0.675 54.711 54.000 0.059 0.000 0.879 292 D CB -0.566 40.275 40.800 0.069 0.000 0.906 292 D HN 0.402 nan 8.370 nan 0.000 0.528 293 G N 0.018 108.875 108.800 0.095 0.000 2.179 293 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.260 293 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.260 293 G C 0.294 175.236 174.900 0.071 0.000 0.977 293 G CA -0.024 45.124 45.100 0.079 0.000 0.641 293 G HN 0.343 nan 8.290 nan 0.000 0.533 294 R N 1.038 121.581 120.500 0.071 0.000 2.560 294 R HA 0.550 4.890 4.340 -0.001 0.000 0.270 294 R C 1.148 177.588 176.300 0.234 0.000 1.074 294 R CA 0.338 56.414 56.100 -0.039 0.000 1.140 294 R CB 0.770 30.756 30.300 -0.522 0.000 1.073 294 R HN 0.664 nan 8.270 nan 0.000 0.527 295 S N -0.533 115.277 115.700 0.183 0.000 2.624 295 S HA 0.064 4.534 4.470 -0.001 0.000 0.263 295 S C 1.533 176.409 174.600 0.460 0.000 1.287 295 S CA -0.847 57.523 58.200 0.283 0.000 0.990 295 S CB 0.767 64.064 63.200 0.163 0.000 0.950 295 S HN 0.280 nan 8.310 nan 0.000 0.561 296 V N 1.842 122.017 119.914 0.436 0.000 2.392 296 V HA -0.193 3.926 4.120 -0.001 0.000 0.249 296 V C 2.952 179.207 176.094 0.267 0.000 1.059 296 V CA 2.317 64.874 62.300 0.427 0.000 1.051 296 V CB -1.612 30.346 31.823 0.224 0.000 0.658 296 V HN 1.076 nan 8.190 nan 0.000 0.455 297 S N -0.493 115.320 115.700 0.189 0.000 2.447 297 S HA -0.192 4.278 4.470 -0.001 0.000 0.233 297 S C 1.837 176.509 174.600 0.120 0.000 1.006 297 S CA 1.496 59.770 58.200 0.124 0.000 0.957 297 S CB -0.604 62.651 63.200 0.093 0.000 0.773 297 S HN 0.584 nan 8.310 nan 0.000 0.507 298 F N 2.451 122.389 119.950 -0.021 0.000 2.123 298 F HA 0.110 4.636 4.527 -0.000 0.000 0.289 298 F C 2.669 178.368 175.800 -0.169 0.000 1.099 298 F CA 1.468 59.383 58.000 -0.142 0.000 1.234 298 F CB -0.363 38.475 39.000 -0.269 0.000 1.034 298 F HN 0.172 nan 8.300 nan 0.000 0.479 299 H N -0.141 118.975 119.070 0.077 0.000 2.428 299 H HA 0.107 4.663 4.556 -0.001 0.000 0.296 299 H C 2.212 177.489 175.328 -0.086 0.000 1.062 299 H CA 1.092 57.071 56.048 -0.116 0.000 1.350 299 H CB -0.588 29.019 29.762 -0.259 0.000 1.403 299 H HN 0.386 nan 8.280 nan 0.000 0.533 300 A N 0.582 123.473 122.820 0.119 0.000 2.168 300 A HA -0.035 4.284 4.320 -0.001 0.000 0.215 300 A C 1.844 179.416 177.584 -0.020 0.000 1.152 300 A CA 0.671 52.752 52.037 0.073 0.000 0.716 300 A CB -0.253 18.797 19.000 0.085 0.000 0.794 300 A HN 0.151 nan 8.150 nan 0.000 0.465 301 L N -1.114 120.053 121.223 -0.094 0.000 2.640 301 L HA 0.304 4.644 4.340 -0.001 0.000 0.230 301 L C 0.950 177.717 176.870 -0.172 0.000 1.123 301 L CA 0.631 55.394 54.840 -0.128 0.000 0.900 301 L CB -0.171 41.800 42.059 -0.147 0.000 1.146 301 L HN 0.244 nan 8.230 nan 0.000 0.484 302 R N -1.621 118.767 120.500 -0.186 0.000 2.905 302 R HA 0.443 4.783 4.340 -0.001 0.000 0.260 302 R C -0.452 175.796 176.300 -0.087 0.000 1.086 302 R CA -1.017 54.970 56.100 -0.189 0.000 0.978 302 R CB 0.853 30.937 30.300 -0.359 0.000 1.215 302 R HN -0.099 nan 8.270 nan 0.000 0.480 303 Q N 1.326 121.088 119.800 -0.064 0.000 2.300 303 Q HA 0.115 4.455 4.340 -0.001 0.000 0.280 303 Q C -0.330 175.667 176.000 -0.006 0.000 1.033 303 Q CA 0.926 56.711 55.803 -0.029 0.000 0.903 303 Q CB 0.480 29.204 28.738 -0.024 0.000 1.195 303 Q HN 0.431 nan 8.270 nan 0.000 0.386 304 I N 5.172 125.744 120.570 0.004 0.000 2.698 304 I HA 0.137 4.307 4.170 -0.001 0.000 0.276 304 I C -1.801 174.327 176.117 0.020 0.000 1.166 304 I CA -1.804 59.507 61.300 0.018 0.000 1.101 304 I CB 1.461 39.489 38.000 0.046 0.000 1.305 304 I HN 0.279 nan 8.210 nan 0.000 0.526 305 P HA -0.152 nan 4.420 nan 0.000 0.216 305 P C 1.394 178.705 177.300 0.019 0.000 1.153 305 P CA 1.319 64.425 63.100 0.010 0.000 0.848 305 P CB 0.256 31.961 31.700 0.007 0.000 0.787 306 Q N -0.813 119.007 119.800 0.032 0.000 2.079 306 Q HA -0.128 4.212 4.340 -0.001 0.000 0.200 306 Q C 2.193 178.219 176.000 0.043 0.000 0.974 306 Q CA 1.028 56.857 55.803 0.044 0.000 0.840 306 Q CB -1.107 27.668 28.738 0.062 0.000 0.898 306 Q HN 0.211 nan 8.270 nan 0.000 0.430 307 L N 1.512 122.760 121.223 0.042 0.000 2.056 307 L HA -0.141 4.198 4.340 -0.001 0.000 0.207 307 L C 1.928 178.798 176.870 -0.000 0.000 1.078 307 L CA 1.788 56.641 54.840 0.021 0.000 0.749 307 L CB -0.429 41.656 42.059 0.043 0.000 0.901 307 L HN 0.132 nan 8.230 nan 0.000 0.433 308 E N -0.551 119.652 120.200 0.005 0.000 2.110 308 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 308 E C 1.771 178.347 176.600 -0.041 0.000 0.988 308 E CA 1.201 57.593 56.400 -0.014 0.000 0.804 308 E CB -0.176 29.515 29.700 -0.015 0.000 0.745 308 E HN 0.557 nan 8.360 nan 0.000 0.458 309 N N 0.374 119.064 118.700 -0.017 0.000 2.270 309 N HA -0.096 4.644 4.740 -0.001 0.000 0.181 309 N C 1.898 177.404 175.510 -0.007 0.000 1.016 309 N CA 0.581 53.632 53.050 0.001 0.000 0.870 309 N CB -0.244 38.282 38.487 0.065 0.000 0.979 309 N HN -0.004 nan 8.380 nan 0.000 0.431 310 V N 1.456 121.378 119.914 0.015 0.000 2.343 310 V HA -0.178 3.941 4.120 -0.001 0.000 0.247 310 V C 2.333 178.469 176.094 0.069 0.000 1.051 310 V CA 1.084 63.436 62.300 0.086 0.000 1.036 310 V CB -0.484 31.418 31.823 0.132 0.000 0.654 310 V HN 0.200 nan 8.190 nan 0.000 0.451 311 L N 0.219 121.437 121.223 -0.009 0.000 2.017 311 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 311 L C 2.369 179.226 176.870 -0.022 0.000 1.073 311 L CA 1.979 56.807 54.840 -0.019 0.000 0.745 311 L CB -0.808 41.239 42.059 -0.021 0.000 0.894 311 L HN 0.207 nan 8.230 nan 0.000 0.432 312 K N -0.609 119.726 120.400 -0.109 0.000 2.063 312 K HA -0.250 4.069 4.320 -0.001 0.000 0.208 312 K C 2.094 178.617 176.600 -0.128 0.000 1.048 312 K CA 1.734 57.888 56.287 -0.223 0.000 0.928 312 K CB -0.152 31.784 32.500 -0.941 0.000 0.713 312 K HN 0.307 nan 8.250 nan 0.000 0.442 313 E N 0.302 120.481 120.200 -0.036 0.000 2.152 313 E HA -0.089 4.261 4.350 -0.001 0.000 0.192 313 E C 1.657 178.334 176.600 0.129 0.000 0.983 313 E CA 1.419 57.902 56.400 0.138 0.000 0.818 313 E CB -0.035 29.588 29.700 -0.128 0.000 0.758 313 E HN 0.134 nan 8.360 nan 0.000 0.467 314 T N 0.703 115.368 114.554 0.185 0.000 2.746 314 T HA -0.088 4.261 4.350 -0.001 0.000 0.267 314 T C 1.763 176.486 174.700 0.039 0.000 1.039 314 T CA 1.222 63.455 62.100 0.223 0.000 1.142 314 T CB -0.218 68.775 68.868 0.208 0.000 0.866 314 T HN 0.133 nan 8.240 nan 0.000 0.444 315 L N 0.411 121.589 121.223 -0.074 0.000 2.141 315 L HA -0.029 4.310 4.340 -0.001 0.000 0.209 315 L C 2.839 179.481 176.870 -0.380 0.000 1.094 315 L CA 1.135 55.817 54.840 -0.262 0.000 0.763 315 L CB -0.427 41.396 42.059 -0.394 0.000 0.908 315 L HN 0.152 nan 8.230 nan 0.000 0.437 316 R N 0.503 120.832 120.500 -0.285 0.000 2.073 316 R HA -0.145 4.194 4.340 -0.001 0.000 0.234 316 R C 2.253 178.334 176.300 -0.365 0.000 1.134 316 R CA 1.407 57.287 56.100 -0.367 0.000 0.952 316 R CB -0.121 30.131 30.300 -0.081 0.000 0.850 316 R HN 0.304 nan 8.270 nan 0.000 0.433 317 L N -0.708 120.306 121.223 -0.349 0.000 2.179 317 L HA -0.047 4.292 4.340 -0.001 0.000 0.208 317 L C 0.670 177.040 176.870 -0.833 0.000 1.096 317 L CA 0.660 55.154 54.840 -0.576 0.000 0.779 317 L CB 0.044 41.693 42.059 -0.685 0.000 0.922 317 L HN 0.271 nan 8.230 nan 0.000 0.443 318 H N -0.577 118.290 119.070 -0.338 0.000 2.535 318 H HA 0.279 4.834 4.556 -0.001 0.000 0.232 318 H C -2.370 172.757 175.328 -0.335 0.000 1.405 318 H CA -1.994 53.770 56.048 -0.474 0.000 1.224 318 H CB -0.116 29.116 29.762 -0.883 0.000 1.763 318 H HN 0.041 nan 8.280 nan 0.000 0.529 319 P HA 0.085 nan 4.420 nan 0.000 0.267 319 P C -2.114 175.121 177.300 -0.109 0.000 1.209 319 P CA -1.152 61.812 63.100 -0.227 0.000 0.763 319 P CB 1.527 33.076 31.700 -0.252 0.000 0.816 320 P HA -0.022 nan 4.420 nan 0.000 0.220 320 P C 0.101 177.473 177.300 0.121 0.000 1.148 320 P CA 1.221 64.341 63.100 0.032 0.000 0.803 320 P CB 0.176 31.874 31.700 -0.003 0.000 0.782 321 L N 0.035 121.310 121.223 0.087 0.000 2.280 321 L HA 0.261 4.600 4.340 -0.001 0.000 0.287 321 L C 1.380 178.304 176.870 0.089 0.000 1.023 321 L CA -0.127 54.804 54.840 0.152 0.000 0.819 321 L CB 0.842 43.020 42.059 0.198 0.000 1.212 321 L HN -0.105 nan 8.230 nan 0.000 0.420 322 I N 0.834 121.459 120.570 0.091 0.000 3.603 322 I HA 0.349 4.519 4.170 -0.001 0.000 0.297 322 I C 0.499 176.658 176.117 0.071 0.000 1.269 322 I CA 0.554 61.873 61.300 0.032 0.000 1.361 322 I CB 0.413 38.393 38.000 -0.034 0.000 1.063 322 I HN 0.397 nan 8.210 nan 0.000 0.448 323 I N 1.543 122.210 120.570 0.162 0.000 2.722 323 I HA 0.467 4.636 4.170 -0.001 0.000 0.295 323 I C -1.661 174.630 176.117 0.290 0.000 1.161 323 I CA -0.853 60.566 61.300 0.199 0.000 1.032 323 I CB 2.439 40.606 38.000 0.278 0.000 1.244 323 I HN -0.002 nan 8.210 nan 0.000 0.421 324 L N 6.964 128.327 121.223 0.233 0.000 2.362 324 L HA 0.650 4.989 4.340 -0.001 0.000 0.271 324 L C -0.866 176.177 176.870 0.288 0.000 1.002 324 L CA -0.769 54.307 54.840 0.394 0.000 0.818 324 L CB 1.998 44.318 42.059 0.434 0.000 1.298 324 L HN 0.464 nan 8.230 nan 0.000 0.420 325 M N 2.563 122.298 119.600 0.226 0.000 2.518 325 M HA 0.635 5.115 4.480 -0.001 0.000 0.300 325 M C -0.802 175.464 176.300 -0.057 0.000 1.175 325 M CA -0.639 54.641 55.300 -0.033 0.000 0.890 325 M CB 2.435 34.819 32.600 -0.361 0.000 1.710 325 M HN 0.525 nan 8.290 nan 0.000 0.453 326 R N 0.616 121.101 120.500 -0.024 0.000 2.799 326 R HA 0.808 5.147 4.340 -0.001 0.000 0.270 326 R C -1.493 174.768 176.300 -0.064 0.000 1.010 326 R CA -0.867 55.171 56.100 -0.105 0.000 0.916 326 R CB 2.080 32.249 30.300 -0.217 0.000 1.228 326 R HN 0.523 nan 8.270 nan 0.000 0.469 327 V N 1.198 121.081 119.914 -0.052 0.000 2.417 327 V HA 0.481 4.600 4.120 -0.001 0.000 0.291 327 V C 0.247 176.355 176.094 0.023 0.000 1.024 327 V CA -1.050 61.246 62.300 -0.007 0.000 0.861 327 V CB 1.519 33.342 31.823 0.001 0.000 0.985 327 V HN 0.888 nan 8.190 nan 0.000 0.436 328 A N 4.756 127.620 122.820 0.073 0.000 2.488 328 A HA 0.441 4.761 4.320 -0.001 0.000 0.249 328 A C 0.931 178.613 177.584 0.163 0.000 1.083 328 A CA -0.165 51.977 52.037 0.175 0.000 0.768 328 A CB 0.236 19.388 19.000 0.253 0.000 1.017 328 A HN 0.746 nan 8.150 nan 0.000 0.496 329 K N 1.516 122.044 120.400 0.213 0.000 2.358 329 K HA 0.243 4.562 4.320 -0.001 0.000 0.197 329 K C 0.757 177.411 176.600 0.089 0.000 1.025 329 K CA 0.903 57.269 56.287 0.132 0.000 1.104 329 K CB 0.507 33.076 32.500 0.115 0.000 0.855 329 K HN 0.876 nan 8.250 nan 0.000 0.531 330 G N -0.003 108.843 108.800 0.077 0.000 2.619 330 G HA2 0.322 4.282 3.960 -0.001 0.000 0.305 330 G HA3 0.322 4.282 3.960 -0.001 0.000 0.305 330 G C -1.585 173.060 174.900 -0.426 0.000 1.330 330 G CA -0.676 44.297 45.100 -0.212 0.000 0.789 330 G HN -0.052 nan 8.290 nan 0.000 0.487 331 E N -0.457 119.395 120.200 -0.580 0.000 2.216 331 E HA 0.593 4.943 4.350 -0.001 0.000 0.279 331 E C -1.357 174.739 176.600 -0.841 0.000 0.997 331 E CA -0.130 55.977 56.400 -0.489 0.000 0.817 331 E CB 1.741 31.302 29.700 -0.233 0.000 1.096 331 E HN 0.264 nan 8.360 nan 0.000 0.393 332 F N 0.477 120.390 119.950 -0.063 0.000 2.626 332 F HA 0.305 4.832 4.527 -0.001 0.000 0.311 332 F C -0.021 175.663 175.800 -0.194 0.000 1.088 332 F CA -0.949 56.995 58.000 -0.092 0.000 0.949 332 F CB 1.957 40.947 39.000 -0.017 0.000 1.322 332 F HN 0.315 nan 8.300 nan 0.000 0.461 333 E N 1.389 121.566 120.200 -0.037 0.000 2.187 333 E HA 0.688 5.038 4.350 -0.001 0.000 0.268 333 E C -1.939 174.530 176.600 -0.219 0.000 0.896 333 E CA -0.635 55.697 56.400 -0.113 0.000 0.766 333 E CB 2.032 31.683 29.700 -0.082 0.000 1.142 333 E HN 0.464 nan 8.360 nan 0.000 0.408 334 V N 5.398 125.198 119.914 -0.189 0.000 2.409 334 V HA 0.158 4.277 4.120 -0.001 0.000 0.290 334 V C -0.219 175.877 176.094 0.004 0.000 1.017 334 V CA -0.551 61.644 62.300 -0.175 0.000 0.841 334 V CB 1.236 32.894 31.823 -0.276 0.000 1.003 334 V HN 0.941 nan 8.190 nan 0.000 0.426 335 Q N 3.345 123.167 119.800 0.037 0.000 2.453 335 Q HA -0.281 4.058 4.340 -0.001 0.000 0.294 335 Q C 1.317 177.220 176.000 -0.161 0.000 1.295 335 Q CA 0.912 56.709 55.803 -0.010 0.000 0.853 335 Q CB -1.309 27.474 28.738 0.076 0.000 1.193 335 Q HN 1.622 nan 8.270 nan 0.000 0.461 336 G N -0.990 107.708 108.800 -0.170 0.000 2.205 336 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.261 336 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.261 336 G C -0.100 174.604 174.900 -0.327 0.000 0.980 336 G CA 0.428 45.375 45.100 -0.256 0.000 0.632 336 G HN 0.576 nan 8.290 nan 0.000 0.533 337 H N 0.181 119.217 119.070 -0.056 0.000 2.489 337 H HA 0.503 5.059 4.556 -0.001 0.000 0.322 337 H C 0.600 175.867 175.328 -0.101 0.000 1.091 337 H CA -0.247 55.764 56.048 -0.062 0.000 1.291 337 H CB 1.290 31.023 29.762 -0.048 0.000 1.436 337 H HN 0.414 nan 8.280 nan 0.000 0.480 338 R N 3.659 124.149 120.500 -0.018 0.000 2.229 338 R HA 0.340 4.679 4.340 -0.001 0.000 0.328 338 R C -0.596 175.530 176.300 -0.289 0.000 1.009 338 R CA -0.489 55.503 56.100 -0.179 0.000 0.864 338 R CB 0.223 30.374 30.300 -0.250 0.000 1.085 338 R HN 0.516 nan 8.270 nan 0.000 0.453 339 I N 4.345 124.799 120.570 -0.193 0.000 2.395 339 I HA 0.201 4.370 4.170 -0.001 0.000 0.289 339 I C -0.043 175.947 176.117 -0.212 0.000 1.023 339 I CA -0.518 60.722 61.300 -0.101 0.000 1.350 339 I CB 1.156 39.236 38.000 0.134 0.000 1.409 339 I HN 0.691 nan 8.210 nan 0.000 0.507 340 H N 3.701 122.806 119.070 0.059 0.000 2.533 340 H HA 0.228 4.783 4.556 -0.001 0.000 0.343 340 H C -0.122 175.228 175.328 0.037 0.000 1.160 340 H CA -0.806 55.255 56.048 0.022 0.000 1.218 340 H CB 1.086 30.851 29.762 0.004 0.000 1.566 340 H HN 0.447 nan 8.280 nan 0.000 0.522 341 E N 1.176 121.463 120.200 0.145 0.000 2.529 341 E HA -0.075 4.274 4.350 -0.001 0.000 0.259 341 E C 0.850 177.502 176.600 0.086 0.000 0.966 341 E CA 1.397 57.852 56.400 0.091 0.000 0.937 341 E CB 0.317 30.044 29.700 0.045 0.000 0.923 341 E HN 1.002 nan 8.360 nan 0.000 0.468 342 G N 4.579 113.423 108.800 0.074 0.000 2.241 342 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.244 342 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.244 342 G C 0.078 175.004 174.900 0.044 0.000 0.998 342 G CA 0.213 45.343 45.100 0.050 0.000 0.621 342 G HN 0.609 nan 8.290 nan 0.000 0.519 343 D N 0.826 121.264 120.400 0.063 0.000 2.472 343 D HA 0.361 5.001 4.640 -0.001 0.000 0.237 343 D C 1.149 177.452 176.300 0.005 0.000 1.141 343 D CA 0.129 54.149 54.000 0.034 0.000 0.875 343 D CB 0.584 41.422 40.800 0.062 0.000 1.192 343 D HN 0.345 nan 8.370 nan 0.000 0.450 344 L N 1.956 123.147 121.223 -0.053 0.000 2.380 344 L HA 0.257 4.597 4.340 -0.001 0.000 0.273 344 L C -0.180 176.640 176.870 -0.084 0.000 1.138 344 L CA -0.442 54.346 54.840 -0.087 0.000 0.832 344 L CB 0.921 42.871 42.059 -0.181 0.000 1.124 344 L HN 0.016 nan 8.230 nan 0.000 0.454 345 V N 2.733 122.635 119.914 -0.019 0.000 2.588 345 V HA 0.787 4.907 4.120 -0.001 0.000 0.304 345 V C -0.125 176.048 176.094 0.131 0.000 1.042 345 V CA -0.543 61.791 62.300 0.056 0.000 0.877 345 V CB 1.674 33.582 31.823 0.143 0.000 0.996 345 V HN 0.874 nan 8.190 nan 0.000 0.425 346 A N 3.338 126.157 122.820 -0.001 0.000 2.454 346 A HA 1.039 5.358 4.320 -0.001 0.000 0.302 346 A C -0.504 176.782 177.584 -0.497 0.000 1.079 346 A CA -0.257 51.695 52.037 -0.141 0.000 0.731 346 A CB 2.008 20.951 19.000 -0.095 0.000 1.299 346 A HN 1.488 nan 8.150 nan 0.000 0.413 347 A N 0.115 122.447 122.820 -0.813 0.000 2.423 347 A HA 0.858 5.177 4.320 -0.001 0.000 0.304 347 A C -0.321 177.109 177.584 -0.256 0.000 1.104 347 A CA -0.171 51.435 52.037 -0.718 0.000 0.757 347 A CB 1.562 19.755 19.000 -1.344 0.000 1.313 347 A HN 1.802 nan 8.150 nan 0.000 0.423 348 S N 1.420 117.059 115.700 -0.102 0.000 2.707 348 S HA 0.572 5.041 4.470 -0.001 0.000 0.312 348 S C -2.266 172.340 174.600 0.011 0.000 1.116 348 S CA -1.406 56.788 58.200 -0.010 0.000 1.078 348 S CB 1.260 64.460 63.200 -0.001 0.000 0.997 348 S HN 0.327 nan 8.310 nan 0.000 0.477 349 P HA -0.020 nan 4.420 nan 0.000 0.217 349 P C 1.436 178.678 177.300 -0.098 0.000 1.150 349 P CA 1.252 64.325 63.100 -0.045 0.000 0.832 349 P CB 0.115 31.767 31.700 -0.081 0.000 0.787 350 A N -0.370 122.398 122.820 -0.086 0.000 1.883 350 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 350 A C 2.058 179.589 177.584 -0.088 0.000 1.186 350 A CA 1.674 53.641 52.037 -0.116 0.000 0.624 350 A CB -1.437 17.487 19.000 -0.127 0.000 0.822 350 A HN 0.039 nan 8.150 nan 0.000 0.444 351 I N -0.407 120.135 120.570 -0.047 0.000 2.277 351 I HA -0.078 4.091 4.170 -0.001 0.000 0.243 351 I C 2.555 178.688 176.117 0.026 0.000 1.094 351 I CA 1.463 62.757 61.300 -0.011 0.000 1.393 351 I CB -1.632 36.367 38.000 -0.002 0.000 1.078 351 I HN 0.195 nan 8.210 nan 0.000 0.417 352 S N 1.554 117.280 115.700 0.044 0.000 2.382 352 S HA -0.138 4.331 4.470 -0.001 0.000 0.228 352 S C 1.609 176.309 174.600 0.166 0.000 1.027 352 S CA 1.134 59.409 58.200 0.126 0.000 0.991 352 S CB -0.329 62.968 63.200 0.161 0.000 0.823 352 S HN 0.437 nan 8.310 nan 0.000 0.469 353 N N 1.058 119.742 118.700 -0.027 0.000 2.573 353 N HA 0.014 4.753 4.740 -0.001 0.000 0.187 353 N C 0.920 176.244 175.510 -0.310 0.000 1.107 353 N CA 0.586 53.463 53.050 -0.289 0.000 0.918 353 N CB -0.010 38.230 38.487 -0.412 0.000 0.966 353 N HN 0.396 nan 8.380 nan 0.000 0.448 354 R N -0.280 120.200 120.500 -0.033 0.000 2.596 354 R HA 0.312 4.652 4.340 -0.001 0.000 0.369 354 R C -0.183 176.185 176.300 0.113 0.000 1.042 354 R CA -0.311 55.788 56.100 -0.003 0.000 1.120 354 R CB 0.693 30.956 30.300 -0.061 0.000 1.353 354 R HN 0.112 nan 8.270 nan 0.000 0.564 355 I N 4.292 125.015 120.570 0.256 0.000 2.742 355 I HA -0.045 4.125 4.170 -0.001 0.000 0.287 355 I C -1.114 175.080 176.117 0.127 0.000 1.186 355 I CA -1.056 60.345 61.300 0.169 0.000 1.417 355 I CB 0.827 38.924 38.000 0.162 0.000 1.377 355 I HN -0.122 nan 8.210 nan 0.000 0.556 356 P HA -0.133 nan 4.420 nan 0.000 0.222 356 P C 1.173 178.462 177.300 -0.020 0.000 1.153 356 P CA 0.912 64.015 63.100 0.005 0.000 0.798 356 P CB 0.304 31.997 31.700 -0.011 0.000 0.796 357 E N 0.274 120.456 120.200 -0.030 0.000 2.204 357 E HA -0.145 4.204 4.350 -0.001 0.000 0.194 357 E C 1.274 177.791 176.600 -0.140 0.000 0.989 357 E CA 1.272 57.635 56.400 -0.062 0.000 0.824 357 E CB -0.435 29.240 29.700 -0.041 0.000 0.756 357 E HN 0.096 nan 8.360 nan 0.000 0.477 358 D N -1.381 118.877 120.400 -0.237 0.000 2.324 358 D HA 0.032 4.671 4.640 -0.001 0.000 0.212 358 D C -0.408 175.402 176.300 -0.816 0.000 0.984 358 D CA 0.540 54.203 54.000 -0.562 0.000 0.885 358 D CB 0.252 40.580 40.800 -0.787 0.000 0.996 358 D HN 0.095 nan 8.370 nan 0.000 0.505 359 F N 1.017 120.955 119.950 -0.021 0.000 2.552 359 F HA 0.364 4.891 4.527 -0.001 0.000 0.369 359 F C -2.323 173.433 175.800 -0.075 0.000 1.112 359 F CA -2.774 55.197 58.000 -0.047 0.000 1.129 359 F CB 1.433 40.421 39.000 -0.021 0.000 1.360 359 F HN -0.362 nan 8.300 nan 0.000 0.473 360 P HA -0.002 nan 4.420 nan 0.000 0.262 360 P C -0.308 176.992 177.300 -0.000 0.000 1.182 360 P CA 0.596 63.692 63.100 -0.008 0.000 0.761 360 P CB 0.378 32.059 31.700 -0.032 0.000 0.795 361 D N 2.691 123.082 120.400 -0.014 0.000 2.746 361 D HA -0.125 4.514 4.640 -0.001 0.000 0.241 361 D C -1.369 174.902 176.300 -0.049 0.000 1.140 361 D CA 0.226 54.216 54.000 -0.018 0.000 0.707 361 D CB -0.877 39.925 40.800 0.004 0.000 1.034 361 D HN 0.371 nan 8.370 nan 0.000 0.423 362 P HA -0.147 nan 4.420 nan 0.000 0.226 362 P C 1.010 178.166 177.300 -0.240 0.000 1.153 362 P CA 1.068 64.060 63.100 -0.179 0.000 0.777 362 P CB 0.194 31.746 31.700 -0.246 0.000 0.794 363 H N -1.022 118.061 119.070 0.023 0.000 2.539 363 H HA 0.183 4.739 4.556 -0.001 0.000 0.269 363 H C 0.150 175.506 175.328 0.046 0.000 0.980 363 H CA 0.063 56.119 56.048 0.014 0.000 1.152 363 H CB -0.081 29.695 29.762 0.023 0.000 1.407 363 H HN 0.202 nan 8.280 nan 0.000 0.564 364 D N 0.518 120.989 120.400 0.119 0.000 2.225 364 D HA 0.050 4.690 4.640 -0.001 0.000 0.249 364 D C -0.324 176.036 176.300 0.100 0.000 1.052 364 D CA -0.524 53.554 54.000 0.130 0.000 0.909 364 D CB 1.277 42.131 40.800 0.090 0.000 1.186 364 D HN 0.012 nan 8.370 nan 0.000 0.431 365 F N 2.283 122.200 119.950 -0.054 0.000 2.404 365 F HA 0.288 4.814 4.527 -0.001 0.000 0.359 365 F C -0.526 175.167 175.800 -0.178 0.000 1.134 365 F CA -0.305 57.589 58.000 -0.178 0.000 1.160 365 F CB 0.323 39.040 39.000 -0.472 0.000 1.186 365 F HN -0.038 nan 8.300 nan 0.000 0.526 366 V N 9.509 129.125 119.914 -0.496 0.000 2.465 366 V HA 0.194 4.313 4.120 -0.001 0.000 0.263 366 V C -1.861 173.967 176.094 -0.442 0.000 0.981 366 V CA -1.000 61.075 62.300 -0.376 0.000 0.838 366 V CB 1.060 32.761 31.823 -0.203 0.000 1.068 366 V HN 0.566 nan 8.190 nan 0.000 0.458 367 P HA -0.108 nan 4.420 nan 0.000 0.220 367 P C 1.619 178.837 177.300 -0.137 0.000 1.148 367 P CA 1.374 64.313 63.100 -0.268 0.000 0.803 367 P CB 0.362 31.915 31.700 -0.244 0.000 0.782 368 A N 0.281 123.000 122.820 -0.168 0.000 2.131 368 A HA -0.216 4.103 4.320 -0.001 0.000 0.220 368 A C 2.206 179.657 177.584 -0.222 0.000 1.158 368 A CA 1.120 53.075 52.037 -0.138 0.000 0.665 368 A CB -1.136 17.802 19.000 -0.104 0.000 0.795 368 A HN 0.112 nan 8.150 nan 0.000 0.460 369 R N -1.896 118.366 120.500 -0.396 0.000 2.170 369 R HA -0.194 4.146 4.340 -0.001 0.000 0.242 369 R C 0.757 176.643 176.300 -0.691 0.000 1.145 369 R CA 1.760 57.488 56.100 -0.620 0.000 0.984 369 R CB -0.329 29.342 30.300 -1.048 0.000 0.869 369 R HN 0.751 nan 8.270 nan 0.000 0.455 370 Y N 0.035 120.247 120.300 -0.147 0.000 2.467 370 Y HA 0.219 4.768 4.550 -0.001 0.000 0.250 370 Y C 0.325 176.144 175.900 -0.134 0.000 1.155 370 Y CA -0.519 57.475 58.100 -0.175 0.000 1.249 370 Y CB 0.158 38.497 38.460 -0.201 0.000 1.146 370 Y HN -0.052 nan 8.280 nan 0.000 0.524 371 E N 1.017 121.199 120.200 -0.030 0.000 2.408 371 E HA -0.086 4.264 4.350 -0.001 0.000 0.259 371 E C 1.091 177.666 176.600 -0.042 0.000 1.110 371 E CA -0.205 56.178 56.400 -0.028 0.000 0.929 371 E CB 0.530 30.206 29.700 -0.039 0.000 0.971 371 E HN 0.151 nan 8.360 nan 0.000 0.438 372 Q N 1.537 121.317 119.800 -0.034 0.000 2.152 372 Q HA -0.145 4.194 4.340 -0.001 0.000 0.206 372 Q C -0.826 175.146 176.000 -0.046 0.000 0.985 372 Q CA 1.946 57.726 55.803 -0.038 0.000 0.863 372 Q CB -1.035 27.685 28.738 -0.030 0.000 0.904 372 Q HN 0.386 nan 8.270 nan 0.000 0.422 373 P HA -0.048 nan 4.420 nan 0.000 0.223 373 P C 0.863 178.125 177.300 -0.064 0.000 1.151 373 P CA 1.172 64.243 63.100 -0.049 0.000 0.787 373 P CB -0.029 31.645 31.700 -0.044 0.000 0.788 374 R N -1.254 119.198 120.500 -0.080 0.000 2.098 374 R HA 0.184 4.523 4.340 -0.001 0.000 0.203 374 R C 0.447 176.676 176.300 -0.118 0.000 1.166 374 R CA 0.085 56.121 56.100 -0.107 0.000 1.090 374 R CB -0.308 29.908 30.300 -0.140 0.000 0.992 374 R HN -0.006 nan 8.270 nan 0.000 0.477 375 Q N 0.778 120.508 119.800 -0.118 0.000 2.439 375 Q HA -0.230 4.110 4.340 -0.001 0.000 0.325 375 Q C 0.052 175.972 176.000 -0.132 0.000 1.372 375 Q CA 0.475 56.216 55.803 -0.104 0.000 0.909 375 Q CB -0.976 27.708 28.738 -0.089 0.000 1.167 375 Q HN 0.468 nan 8.270 nan 0.000 0.418 376 E N 0.502 120.589 120.200 -0.188 0.000 2.265 376 E HA -0.204 4.146 4.350 -0.001 0.000 0.196 376 E C 1.496 178.056 176.600 -0.067 0.000 0.996 376 E CA 1.179 57.501 56.400 -0.130 0.000 0.832 376 E CB 0.070 29.696 29.700 -0.124 0.000 0.756 376 E HN 0.628 nan 8.360 nan 0.000 0.491 377 D N 1.210 121.461 120.400 -0.248 0.000 2.097 377 D HA -0.197 4.443 4.640 -0.001 0.000 0.195 377 D C 2.030 178.153 176.300 -0.295 0.000 0.989 377 D CA 1.009 54.564 54.000 -0.741 0.000 0.827 377 D CB -0.644 39.209 40.800 -1.579 0.000 0.966 377 D HN 0.243 nan 8.370 nan 0.000 0.456 378 L N -0.510 120.579 121.223 -0.224 0.000 2.109 378 L HA -0.023 4.316 4.340 -0.001 0.000 0.207 378 L C 2.654 179.455 176.870 -0.115 0.000 1.086 378 L CA 0.372 55.123 54.840 -0.149 0.000 0.760 378 L CB -0.414 41.567 42.059 -0.130 0.000 0.910 378 L HN 0.044 nan 8.230 nan 0.000 0.437 379 L N -0.017 121.145 121.223 -0.101 0.000 2.093 379 L HA -0.054 4.286 4.340 -0.001 0.000 0.208 379 L C 1.155 177.979 176.870 -0.077 0.000 1.085 379 L CA 1.652 56.440 54.840 -0.088 0.000 0.755 379 L CB -0.401 41.602 42.059 -0.094 0.000 0.904 379 L HN 0.228 nan 8.230 nan 0.000 0.435 380 N N 0.877 119.555 118.700 -0.037 0.000 3.322 380 N HA 0.073 4.812 4.740 -0.001 0.000 0.290 380 N C 0.804 176.337 175.510 0.039 0.000 1.297 380 N CA -0.042 53.018 53.050 0.016 0.000 1.167 380 N CB 0.329 38.843 38.487 0.044 0.000 1.434 380 N HN 0.496 nan 8.380 nan 0.000 0.526 381 R N -0.506 119.891 120.500 -0.172 0.000 2.127 381 R HA -0.109 4.230 4.340 -0.001 0.000 0.238 381 R C 0.522 176.501 176.300 -0.536 0.000 1.134 381 R CA 1.152 56.966 56.100 -0.476 0.000 0.975 381 R CB -0.205 29.573 30.300 -0.871 0.000 0.865 381 R HN 0.408 nan 8.270 nan 0.000 0.447 382 W N 0.936 122.322 121.300 0.144 0.000 3.127 382 W HA 0.166 4.825 4.660 -0.001 0.000 0.344 382 W C 1.168 177.819 176.519 0.221 0.000 1.151 382 W CA 0.308 57.755 57.345 0.171 0.000 1.765 382 W CB 0.756 30.345 29.460 0.215 0.000 1.085 382 W HN 0.168 nan 8.180 nan 0.000 0.596 383 T N -5.652 109.132 114.554 0.383 0.000 2.969 383 T HA 0.037 4.386 4.350 -0.001 0.000 0.258 383 T C -0.041 174.955 174.700 0.494 0.000 0.962 383 T CA -0.317 62.029 62.100 0.410 0.000 0.903 383 T CB -0.367 68.726 68.868 0.375 0.000 1.177 383 T HN 0.021 nan 8.240 nan 0.000 0.511 384 W N 4.065 125.567 121.300 0.337 0.000 2.318 384 W HA 0.560 5.219 4.660 -0.001 0.000 0.362 384 W C 0.050 176.593 176.519 0.040 0.000 0.978 384 W CA -1.614 55.855 57.345 0.207 0.000 1.509 384 W CB 0.186 29.803 29.460 0.261 0.000 1.437 384 W HN 0.379 nan 8.180 nan 0.000 0.361 385 I N 4.953 125.358 120.570 -0.276 0.000 3.326 385 I HA 0.339 4.509 4.170 -0.001 0.000 0.336 385 I C -1.582 174.313 176.117 -0.371 0.000 1.543 385 I CA -1.564 59.590 61.300 -0.243 0.000 1.013 385 I CB 0.665 38.627 38.000 -0.063 0.000 1.468 385 I HN 0.012 nan 8.210 nan 0.000 0.515 386 P HA -0.067 nan 4.420 nan 0.000 0.223 386 P C 0.785 177.745 177.300 -0.567 0.000 1.151 386 P CA 1.290 63.966 63.100 -0.706 0.000 0.787 386 P CB -0.010 31.053 31.700 -1.063 0.000 0.788 387 F N -0.173 119.639 119.950 -0.231 0.000 2.639 387 F HA 0.422 4.948 4.527 -0.001 0.000 0.300 387 F C 1.806 177.586 175.800 -0.034 0.000 1.109 387 F CA 0.336 58.285 58.000 -0.085 0.000 1.335 387 F CB -0.426 38.547 39.000 -0.044 0.000 1.014 387 F HN 0.032 nan 8.300 nan 0.000 0.537 388 G N 1.102 109.947 108.800 0.075 0.000 2.601 388 G HA2 0.167 4.126 3.960 -0.001 0.000 0.252 388 G HA3 0.167 4.126 3.960 -0.001 0.000 0.252 388 G C -0.402 174.349 174.900 -0.248 0.000 1.294 388 G CA -0.277 44.835 45.100 0.019 0.000 0.912 388 G HN 1.041 nan 8.290 nan 0.000 0.574 389 A N -2.701 119.917 122.820 -0.337 0.000 2.544 389 A HA 1.046 5.365 4.320 -0.001 0.000 0.291 389 A C 1.311 178.980 177.584 0.141 0.000 1.055 389 A CA 1.231 53.117 52.037 -0.251 0.000 0.651 389 A CB 0.506 19.194 19.000 -0.520 0.000 1.296 389 A HN 3.159 nan 8.150 nan 0.000 0.431 390 G N 0.593 109.548 108.800 0.259 0.000 2.596 390 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.295 390 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.295 390 G C 0.900 175.902 174.900 0.171 0.000 1.240 390 G CA 0.824 46.130 45.100 0.344 0.000 0.985 390 G HN 1.124 nan 8.290 nan 0.000 0.555 391 R N 0.244 120.803 120.500 0.098 0.000 2.105 391 R HA -0.049 4.290 4.340 -0.001 0.000 0.239 391 R C 1.758 177.927 176.300 -0.218 0.000 1.135 391 R CA 1.963 57.988 56.100 -0.125 0.000 0.967 391 R CB -0.600 29.522 30.300 -0.295 0.000 0.861 391 R HN 0.739 nan 8.270 nan 0.000 0.442 392 H N -0.535 118.623 119.070 0.146 0.000 2.486 392 H HA 0.188 4.744 4.556 -0.001 0.000 0.284 392 H C 0.170 175.593 175.328 0.158 0.000 1.103 392 H CA -0.407 55.726 56.048 0.142 0.000 1.089 392 H CB 0.353 30.210 29.762 0.159 0.000 1.603 392 H HN 0.018 nan 8.280 nan 0.000 0.557 393 R N 0.973 121.596 120.500 0.205 0.000 2.638 393 R HA -0.050 4.290 4.340 -0.001 0.000 0.268 393 R C 0.005 176.377 176.300 0.121 0.000 1.006 393 R CA 0.044 56.233 56.100 0.149 0.000 1.088 393 R CB 0.292 30.637 30.300 0.075 0.000 0.950 393 R HN 0.266 nan 8.270 nan 0.000 0.419 394 C N 5.983 125.363 119.300 0.133 0.000 2.517 394 C HA -0.016 4.444 4.460 -0.001 0.000 0.403 394 C C 2.171 177.152 174.990 -0.014 0.000 1.467 394 C CA -0.083 58.989 59.018 0.091 0.000 1.542 394 C CB -1.047 26.802 27.740 0.183 0.000 2.482 394 C HN 0.743 nan 8.230 nan 0.000 0.610 395 V N 4.500 124.407 119.914 -0.013 0.000 3.217 395 V HA 0.191 4.311 4.120 -0.001 0.000 0.264 395 V C 1.829 177.882 176.094 -0.068 0.000 1.135 395 V CA 1.851 64.128 62.300 -0.039 0.000 1.142 395 V CB -0.951 30.863 31.823 -0.015 0.000 0.754 395 V HN 0.979 nan 8.190 nan 0.000 0.484 396 G N -0.664 108.087 108.800 -0.081 0.000 3.042 396 G HA2 0.312 4.271 3.960 -0.001 0.000 0.212 396 G HA3 0.312 4.271 3.960 -0.001 0.000 0.212 396 G C 1.454 176.334 174.900 -0.034 0.000 1.166 396 G CA 0.586 45.657 45.100 -0.050 0.000 0.767 396 G HN 0.707 nan 8.290 nan 0.000 0.546 397 A N 1.343 124.021 122.820 -0.237 0.000 1.902 397 A HA 0.200 4.520 4.320 -0.001 0.000 0.217 397 A C 2.767 180.165 177.584 -0.311 0.000 1.181 397 A CA 2.162 53.827 52.037 -0.620 0.000 0.623 397 A CB -0.675 17.548 19.000 -1.295 0.000 0.818 397 A HN 0.657 nan 8.150 nan 0.000 0.443 398 A N -1.252 121.467 122.820 -0.168 0.000 1.902 398 A HA -0.051 4.268 4.320 -0.001 0.000 0.217 398 A C 2.076 179.671 177.584 0.019 0.000 1.181 398 A CA 1.581 53.576 52.037 -0.070 0.000 0.623 398 A CB -0.750 18.227 19.000 -0.037 0.000 0.818 398 A HN 0.695 nan 8.150 nan 0.000 0.443 399 F N 1.008 120.925 119.950 -0.056 0.000 2.095 399 F HA -0.129 4.397 4.527 -0.001 0.000 0.298 399 F C 2.522 178.319 175.800 -0.005 0.000 1.104 399 F CA 1.499 59.490 58.000 -0.014 0.000 1.232 399 F CB -0.340 38.649 39.000 -0.018 0.000 0.987 399 F HN 0.253 nan 8.300 nan 0.000 0.475 400 A N 0.605 123.525 122.820 0.167 0.000 1.902 400 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 400 A C 2.262 179.864 177.584 0.030 0.000 1.181 400 A CA 1.984 54.092 52.037 0.119 0.000 0.623 400 A CB -1.188 17.955 19.000 0.238 0.000 0.818 400 A HN 0.523 nan 8.150 nan 0.000 0.443 401 I N -0.791 119.799 120.570 0.032 0.000 2.252 401 I HA -0.245 3.924 4.170 -0.001 0.000 0.245 401 I C 2.722 178.827 176.117 -0.021 0.000 1.102 401 I CA 1.474 62.794 61.300 0.033 0.000 1.385 401 I CB -0.311 37.703 38.000 0.023 0.000 1.064 401 I HN 0.403 nan 8.210 nan 0.000 0.414 402 M N 0.868 120.420 119.600 -0.081 0.000 2.108 402 M HA -0.295 4.185 4.480 -0.001 0.000 0.261 402 M C 2.291 178.508 176.300 -0.137 0.000 1.066 402 M CA 2.020 57.256 55.300 -0.107 0.000 1.107 402 M CB -0.770 31.743 32.600 -0.145 0.000 1.356 402 M HN 0.327 nan 8.290 nan 0.000 0.406 403 Q N -0.104 119.545 119.800 -0.252 0.000 2.079 403 Q HA -0.151 4.188 4.340 -0.001 0.000 0.200 403 Q C 1.961 177.936 176.000 -0.043 0.000 0.974 403 Q CA 1.533 57.199 55.803 -0.229 0.000 0.840 403 Q CB -0.051 28.477 28.738 -0.350 0.000 0.898 403 Q HN 0.517 nan 8.270 nan 0.000 0.430 404 I N 1.148 121.733 120.570 0.025 0.000 2.226 404 I HA -0.268 3.901 4.170 -0.001 0.000 0.245 404 I C 2.139 178.398 176.117 0.237 0.000 1.100 404 I CA 1.566 62.969 61.300 0.171 0.000 1.374 404 I CB -0.858 37.223 38.000 0.135 0.000 1.057 404 I HN 0.289 nan 8.210 nan 0.000 0.413 405 K N 0.731 121.209 120.400 0.130 0.000 2.057 405 K HA -0.138 4.182 4.320 -0.001 0.000 0.207 405 K C 2.219 178.918 176.600 0.166 0.000 1.049 405 K CA 1.597 57.975 56.287 0.151 0.000 0.931 405 K CB -0.175 32.383 32.500 0.096 0.000 0.714 405 K HN 0.295 nan 8.250 nan 0.000 0.440 406 A N 1.372 124.249 122.820 0.096 0.000 1.898 406 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 406 A C 2.119 179.733 177.584 0.050 0.000 1.181 406 A CA 1.227 53.310 52.037 0.078 0.000 0.620 406 A CB -0.530 18.483 19.000 0.021 0.000 0.819 406 A HN 0.161 nan 8.150 nan 0.000 0.442 407 I N -1.841 118.742 120.570 0.021 0.000 2.179 407 I HA -0.245 3.924 4.170 -0.001 0.000 0.242 407 I C 2.175 178.190 176.117 -0.171 0.000 1.088 407 I CA 1.495 62.738 61.300 -0.094 0.000 1.357 407 I CB -0.332 37.568 38.000 -0.166 0.000 1.051 407 I HN 0.321 nan 8.210 nan 0.000 0.409 408 F N 0.266 120.259 119.950 0.071 0.000 2.456 408 F HA -0.103 4.423 4.527 -0.001 0.000 0.298 408 F C 2.690 178.541 175.800 0.086 0.000 1.104 408 F CA 0.764 58.812 58.000 0.080 0.000 1.435 408 F CB -0.500 38.528 39.000 0.047 0.000 1.078 408 F HN -0.074 nan 8.300 nan 0.000 0.546 409 S N -0.094 115.724 115.700 0.196 0.000 2.383 409 S HA -0.151 4.319 4.470 -0.001 0.000 0.229 409 S C 2.231 176.793 174.600 -0.064 0.000 1.030 409 S CA 1.345 59.592 58.200 0.078 0.000 1.002 409 S CB -0.414 62.854 63.200 0.113 0.000 0.829 409 S HN 0.143 nan 8.310 nan 0.000 0.467 410 V N 1.706 121.599 119.914 -0.034 0.000 2.273 410 V HA -0.045 4.074 4.120 -0.001 0.000 0.242 410 V C 2.189 178.303 176.094 0.033 0.000 1.035 410 V CA 1.264 63.536 62.300 -0.048 0.000 1.013 410 V CB -0.705 31.084 31.823 -0.057 0.000 0.652 410 V HN 0.385 nan 8.190 nan 0.000 0.452 411 L N -0.343 120.912 121.223 0.053 0.000 2.012 411 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 411 L C 2.354 179.472 176.870 0.414 0.000 1.073 411 L CA 1.678 56.645 54.840 0.212 0.000 0.748 411 L CB -0.519 41.595 42.059 0.091 0.000 0.891 411 L HN 0.311 nan 8.230 nan 0.000 0.431 412 L N -0.993 120.453 121.223 0.372 0.000 2.395 412 L HA -0.084 4.255 4.340 -0.001 0.000 0.218 412 L C 2.511 179.549 176.870 0.280 0.000 1.130 412 L CA 0.603 55.708 54.840 0.441 0.000 0.826 412 L CB -0.362 41.963 42.059 0.443 0.000 0.941 412 L HN 0.229 nan 8.230 nan 0.000 0.451 413 R N -0.546 120.047 120.500 0.154 0.000 2.210 413 R HA -0.009 4.331 4.340 -0.001 0.000 0.203 413 R C 1.762 178.067 176.300 0.009 0.000 1.010 413 R CA 0.390 56.524 56.100 0.056 0.000 1.008 413 R CB 0.264 30.538 30.300 -0.043 0.000 0.923 413 R HN 0.288 nan 8.270 nan 0.000 0.469 414 E N -0.578 119.640 120.200 0.031 0.000 2.166 414 E HA 0.061 4.410 4.350 -0.001 0.000 0.192 414 E C -0.165 176.231 176.600 -0.341 0.000 0.967 414 E CA 0.858 57.184 56.400 -0.123 0.000 0.840 414 E CB 0.370 30.058 29.700 -0.019 0.000 0.795 414 E HN 0.152 nan 8.360 nan 0.000 0.470 415 Y N 0.250 120.572 120.300 0.037 0.000 2.545 415 Y HA 0.305 4.855 4.550 -0.000 0.000 0.348 415 Y C 0.107 175.908 175.900 -0.164 0.000 1.002 415 Y CA -0.883 57.154 58.100 -0.106 0.000 1.039 415 Y CB 1.787 40.112 38.460 -0.224 0.000 1.271 415 Y HN -0.274 nan 8.280 nan 0.000 0.467 416 E N 2.050 122.204 120.200 -0.078 0.000 2.204 416 E HA 0.451 4.800 4.350 -0.001 0.000 0.276 416 E C -1.646 174.826 176.600 -0.214 0.000 0.974 416 E CA -0.617 55.777 56.400 -0.010 0.000 0.815 416 E CB 1.587 31.283 29.700 -0.005 0.000 1.119 416 E HN 0.345 nan 8.360 nan 0.000 0.393 417 F N 1.135 121.297 119.950 0.354 0.000 2.532 417 F HA 0.381 4.907 4.527 -0.001 0.000 0.321 417 F C 0.351 176.277 175.800 0.210 0.000 1.089 417 F CA -0.668 57.486 58.000 0.257 0.000 0.926 417 F CB 1.830 40.972 39.000 0.237 0.000 1.168 417 F HN 0.274 nan 8.300 nan 0.000 0.459 418 E N 2.214 122.576 120.200 0.270 0.000 2.340 418 E HA 0.442 4.791 4.350 -0.001 0.000 0.273 418 E C -1.139 175.536 176.600 0.125 0.000 0.891 418 E CA -1.081 55.417 56.400 0.164 0.000 0.757 418 E CB 2.687 32.437 29.700 0.083 0.000 1.231 418 E HN 0.512 nan 8.360 nan 0.000 0.439 419 M N 1.509 121.171 119.600 0.103 0.000 2.219 419 M HA 0.148 4.627 4.480 -0.001 0.000 0.353 419 M C 0.583 176.959 176.300 0.127 0.000 1.304 419 M CA 0.322 55.710 55.300 0.146 0.000 1.115 419 M CB 0.714 33.423 32.600 0.182 0.000 1.664 419 M HN 0.702 nan 8.290 nan 0.000 0.459 420 A N 3.410 126.312 122.820 0.136 0.000 2.348 420 A HA 0.129 4.448 4.320 -0.001 0.000 0.224 420 A C 0.338 177.931 177.584 0.015 0.000 1.227 420 A CA 0.065 52.129 52.037 0.045 0.000 0.885 420 A CB 0.107 19.109 19.000 0.003 0.000 0.933 420 A HN 0.855 nan 8.150 nan 0.000 0.506 421 Q N -1.133 118.686 119.800 0.032 0.000 2.605 421 Q HA 0.591 4.930 4.340 -0.001 0.000 0.296 421 Q C -3.117 172.867 176.000 -0.026 0.000 1.056 421 Q CA -2.622 53.133 55.803 -0.081 0.000 0.778 421 Q CB 0.511 29.093 28.738 -0.261 0.000 1.497 421 Q HN -0.082 nan 8.270 nan 0.000 0.443 422 P HA 0.065 nan 4.420 nan 0.000 0.266 422 P C -2.089 175.255 177.300 0.074 0.000 1.195 422 P CA -0.819 62.282 63.100 0.001 0.000 0.768 422 P CB 0.173 31.857 31.700 -0.026 0.000 0.838 423 P HA -0.173 nan 4.420 nan 0.000 0.218 423 P C 0.701 178.149 177.300 0.246 0.000 1.148 423 P CA 1.482 64.723 63.100 0.236 0.000 0.822 423 P CB 0.013 31.773 31.700 0.099 0.000 0.784 424 E N -0.888 119.390 120.200 0.130 0.000 2.482 424 E HA -0.053 4.297 4.350 -0.001 0.000 0.196 424 E C 1.788 178.441 176.600 0.089 0.000 1.047 424 E CA 0.812 57.283 56.400 0.118 0.000 0.869 424 E CB -0.668 29.073 29.700 0.070 0.000 0.836 424 E HN 0.325 nan 8.360 nan 0.000 0.520 425 S N -0.640 115.059 115.700 -0.002 0.000 2.528 425 S HA -0.008 4.461 4.470 -0.001 0.000 0.219 425 S C 0.252 174.734 174.600 -0.196 0.000 0.985 425 S CA -0.315 57.806 58.200 -0.133 0.000 0.914 425 S CB -0.288 62.763 63.200 -0.248 0.000 0.776 425 S HN 0.120 nan 8.310 nan 0.000 0.526 426 Y N 3.618 123.919 120.300 0.002 0.000 2.359 426 Y HA 0.530 5.080 4.550 -0.001 0.000 0.334 426 Y C 0.857 176.826 175.900 0.115 0.000 1.058 426 Y CA -0.528 57.533 58.100 -0.065 0.000 1.244 426 Y CB 0.641 38.966 38.460 -0.225 0.000 1.187 426 Y HN 0.368 nan 8.280 nan 0.000 0.510 427 R N 1.006 121.645 120.500 0.232 0.000 2.716 427 R HA 0.493 4.833 4.340 -0.001 0.000 0.271 427 R C -1.732 174.745 176.300 0.295 0.000 1.028 427 R CA -1.116 55.206 56.100 0.369 0.000 0.883 427 R CB 1.006 31.421 30.300 0.193 0.000 1.250 427 R HN 0.377 nan 8.270 nan 0.000 0.465 428 N N 0.508 119.351 118.700 0.239 0.000 2.508 428 N HA 0.131 4.870 4.740 -0.001 0.000 0.285 428 N C -1.324 174.034 175.510 -0.253 0.000 1.144 428 N CA -0.254 52.764 53.050 -0.053 0.000 0.978 428 N CB 1.145 39.420 38.487 -0.354 0.000 1.180 428 N HN 0.551 nan 8.380 nan 0.000 0.484 429 D N 0.221 120.495 120.400 -0.210 0.000 2.347 429 D HA 0.120 4.760 4.640 -0.001 0.000 0.235 429 D C -0.268 175.884 176.300 -0.245 0.000 1.149 429 D CA -0.048 53.854 54.000 -0.164 0.000 0.850 429 D CB 0.149 40.914 40.800 -0.057 0.000 1.061 429 D HN 0.473 nan 8.370 nan 0.000 0.487 430 H N 0.775 119.822 119.070 -0.039 0.000 2.505 430 H HA 0.093 4.648 4.556 -0.001 0.000 0.289 430 H C 1.709 176.948 175.328 -0.149 0.000 1.052 430 H CA 0.124 56.113 56.048 -0.098 0.000 1.156 430 H CB 0.635 30.319 29.762 -0.131 0.000 1.507 430 H HN 0.301 nan 8.280 nan 0.000 0.548 431 S N -0.128 115.555 115.700 -0.028 0.000 2.522 431 S HA 0.026 4.495 4.470 -0.001 0.000 0.227 431 S C 0.801 175.358 174.600 -0.070 0.000 0.986 431 S CA 0.095 58.261 58.200 -0.057 0.000 0.929 431 S CB 0.249 63.426 63.200 -0.039 0.000 0.769 431 S HN 0.055 nan 8.310 nan 0.000 0.529 432 K N 0.408 120.760 120.400 -0.081 0.000 2.281 432 K HA 0.445 4.764 4.320 -0.001 0.000 0.242 432 K C 0.689 177.202 176.600 -0.146 0.000 0.971 432 K CA -0.950 55.276 56.287 -0.101 0.000 0.834 432 K CB 0.777 33.212 32.500 -0.110 0.000 1.181 432 K HN 0.027 nan 8.250 nan 0.000 0.435 433 M N 0.302 119.760 119.600 -0.237 0.000 2.446 433 M HA -0.022 4.457 4.480 -0.001 0.000 0.263 433 M C 0.503 176.608 176.300 -0.326 0.000 1.066 433 M CA 0.864 55.961 55.300 -0.339 0.000 1.087 433 M CB -0.347 31.711 32.600 -0.903 0.000 1.406 433 M HN 0.133 nan 8.290 nan 0.000 0.459 434 V N 1.550 121.273 119.914 -0.319 0.000 2.333 434 V HA 0.192 4.312 4.120 -0.001 0.000 0.274 434 V C 0.178 176.164 176.094 -0.180 0.000 1.028 434 V CA -0.785 61.320 62.300 -0.326 0.000 0.851 434 V CB 1.489 33.099 31.823 -0.356 0.000 1.000 434 V HN -0.121 nan 8.190 nan 0.000 0.456 435 V N 6.247 126.111 119.914 -0.084 0.000 2.637 435 V HA 0.272 4.391 4.120 -0.001 0.000 0.296 435 V C 0.178 176.286 176.094 0.023 0.000 1.046 435 V CA -0.128 62.167 62.300 -0.008 0.000 1.066 435 V CB 1.131 33.000 31.823 0.077 0.000 0.968 435 V HN 0.826 nan 8.190 nan 0.000 0.483 436 Q N 2.673 122.478 119.800 0.008 0.000 2.397 436 Q HA 0.462 4.801 4.340 -0.001 0.000 0.275 436 Q C -0.902 175.138 176.000 0.067 0.000 1.090 436 Q CA -1.201 54.645 55.803 0.072 0.000 0.809 436 Q CB 2.929 31.728 28.738 0.102 0.000 1.362 436 Q HN 0.584 nan 8.270 nan 0.000 0.431 437 L N 1.655 122.935 121.223 0.095 0.000 2.490 437 L HA 0.199 4.538 4.340 -0.001 0.000 0.274 437 L C -0.246 176.646 176.870 0.036 0.000 1.201 437 L CA 0.557 55.431 54.840 0.057 0.000 0.869 437 L CB 0.436 42.472 42.059 -0.037 0.000 1.123 437 L HN 0.785 nan 8.230 nan 0.000 0.484 438 A N 5.183 128.015 122.820 0.020 0.000 2.332 438 A HA 0.464 4.784 4.320 -0.001 0.000 0.258 438 A C -0.216 177.362 177.584 -0.011 0.000 1.087 438 A CA -0.321 51.719 52.037 0.006 0.000 0.802 438 A CB 0.255 19.254 19.000 -0.001 0.000 1.042 438 A HN 0.803 nan 8.150 nan 0.000 0.489 439 Q N 0.756 120.548 119.800 -0.013 0.000 2.257 439 Q HA 0.510 4.850 4.340 -0.001 0.000 0.262 439 Q C -2.231 173.739 176.000 -0.049 0.000 0.997 439 Q CA -1.742 54.042 55.803 -0.031 0.000 0.873 439 Q CB 1.193 29.919 28.738 -0.020 0.000 1.312 439 Q HN 0.691 nan 8.270 nan 0.000 0.450 440 P HA 0.303 nan 4.420 nan 0.000 0.277 440 P C -1.495 175.734 177.300 -0.119 0.000 1.240 440 P CA -0.472 62.579 63.100 -0.082 0.000 0.798 440 P CB 0.964 32.608 31.700 -0.094 0.000 0.979 441 A N 0.976 123.764 122.820 -0.053 0.000 3.355 441 A HA 0.583 4.903 4.320 -0.001 0.000 0.290 441 A C 0.218 177.880 177.584 0.129 0.000 0.973 441 A CA -0.518 51.545 52.037 0.043 0.000 0.933 441 A CB -0.250 18.808 19.000 0.097 0.000 1.138 441 A HN 0.672 nan 8.150 nan 0.000 0.490 442 A N 0.474 123.323 122.820 0.048 0.000 2.409 442 A HA 0.637 4.956 4.320 -0.001 0.000 0.262 442 A C -0.227 177.429 177.584 0.120 0.000 1.113 442 A CA -0.009 52.054 52.037 0.044 0.000 0.790 442 A CB 0.417 19.403 19.000 -0.023 0.000 1.046 442 A HN 0.930 nan 8.150 nan 0.000 0.496 443 V N 4.014 123.964 119.914 0.060 0.000 2.760 443 V HA 0.381 4.501 4.120 -0.001 0.000 0.309 443 V C 0.025 176.121 176.094 0.003 0.000 1.077 443 V CA -0.740 61.605 62.300 0.075 0.000 0.910 443 V CB 1.987 33.861 31.823 0.085 0.000 1.008 443 V HN 1.024 nan 8.190 nan 0.000 0.424 444 R N 3.011 123.505 120.500 -0.009 0.000 2.459 444 R HA 0.595 4.934 4.340 -0.001 0.000 0.281 444 R C -1.196 175.042 176.300 -0.103 0.000 1.050 444 R CA -0.392 55.619 56.100 -0.148 0.000 1.055 444 R CB 1.233 31.451 30.300 -0.136 0.000 1.045 444 R HN 0.773 nan 8.270 nan 0.000 0.495 445 Y N -1.043 119.085 120.300 -0.288 0.000 2.570 445 Y HA 0.705 5.254 4.550 -0.001 0.000 0.345 445 Y C -0.730 175.042 175.900 -0.213 0.000 1.014 445 Y CA -1.557 56.298 58.100 -0.409 0.000 1.063 445 Y CB 1.555 39.549 38.460 -0.777 0.000 1.272 445 Y HN 0.513 nan 8.280 nan 0.000 0.477 446 R N 1.961 122.549 120.500 0.147 0.000 2.566 446 R HA 0.432 4.771 4.340 -0.001 0.000 0.271 446 R C -1.228 175.206 176.300 0.222 0.000 1.071 446 R CA -0.856 55.350 56.100 0.176 0.000 0.915 446 R CB 1.737 32.037 30.300 0.001 0.000 1.228 446 R HN 0.984 nan 8.270 nan 0.000 0.449 447 R N 2.806 123.380 120.500 0.122 0.000 2.585 447 R HA 0.067 4.407 4.340 -0.001 0.000 0.275 447 R C -0.119 176.074 176.300 -0.178 0.000 1.018 447 R CA 0.344 56.276 56.100 -0.280 0.000 1.072 447 R CB 0.511 30.670 30.300 -0.235 0.000 0.953 447 R HN 0.451 nan 8.270 nan 0.000 0.419 448 R N 1.475 121.840 120.500 -0.226 0.000 2.491 448 R HA 0.082 4.421 4.340 -0.001 0.000 0.283 448 R C 0.647 176.886 176.300 -0.102 0.000 1.072 448 R CA 0.377 56.406 56.100 -0.118 0.000 1.048 448 R CB 0.704 30.953 30.300 -0.086 0.000 0.983 448 R HN 0.674 nan 8.270 nan 0.000 0.450 449 T N 0.000 114.514 114.554 -0.066 0.000 3.816 449 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 449 T CA 0.000 62.069 62.100 -0.052 0.000 1.349 449 T CB 0.000 68.844 68.868 -0.040 0.000 0.612 449 T HN 0.000 nan 8.240 nan 0.000 0.658