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 2jjp_1_A DATA FIRST_RESID 15 DATA SEQUENCE LTTIDEVPGM ADETALLDWL GTMREKQPVW QDRYGVWHVF RHADVQTVLR DATA SEQUENCE DTATFSSDPT RVIEGASPTP GMIHEIDPPE HRALRKVVSS AFTPRTISDL DATA SEQUENCE EPRIRDVTRS LLADAGESFD LVDVLAFPLP VTIVAELLGL PPMDHEQFGD DATA SEQUENCE WSGALVDIQM DDPTDPALAE RIADVLNPLT AYLKARCAER RADPGDDLIS DATA SEQUENCE RLVLAEVDGR ALDDEEAANF STALLLAGHI TTTVLLGNIV RTLDEHPAHW DATA SEQUENCE DAAAEDPGRI PAIVEEVLRY RPPFPQMQRT TTKATEVAGV PIPADVMVNT DATA SEQUENCE WVLSANRDSD AHDDPDRFDP SRKSGGAAQL SFGHGVHFCL GAPLARLENR DATA SEQUENCE VALEEIIARF GRLTVDRDDE RLRHFEQIVL GTRHLPVLAG SSPRQSA 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 15 L HA 0.000 nan 4.340 nan 0.000 0.249 15 L C 0.000 176.855 176.870 -0.026 0.000 1.165 15 L CA 0.000 54.800 54.840 -0.067 0.000 0.813 15 L CB 0.000 42.021 42.059 -0.063 0.000 0.961 16 T N -1.419 113.127 114.554 -0.012 0.000 2.903 16 T HA 0.313 4.700 4.350 0.062 0.000 0.299 16 T C 0.161 174.893 174.700 0.055 0.000 1.093 16 T CA -0.627 61.483 62.100 0.017 0.000 1.002 16 T CB 2.211 71.085 68.868 0.010 0.000 1.127 16 T HN 0.391 nan 8.240 nan 0.000 0.488 17 T N 2.653 117.244 114.554 0.062 0.000 3.607 17 T HA 0.265 4.652 4.350 0.062 0.000 0.225 17 T C -0.209 174.537 174.700 0.077 0.000 0.904 17 T CA -0.097 62.057 62.100 0.090 0.000 0.962 17 T CB -0.712 68.195 68.868 0.064 0.000 1.221 17 T HN 0.325 nan 8.240 nan 0.000 0.641 18 I N 2.624 123.246 120.570 0.085 0.000 2.563 18 I HA 0.307 4.514 4.170 0.062 0.000 0.276 18 I C -0.840 175.338 176.117 0.102 0.000 1.074 18 I CA -1.361 59.980 61.300 0.068 0.000 1.124 18 I CB 0.678 38.698 38.000 0.033 0.000 1.225 18 I HN 0.092 nan 8.210 nan 0.000 0.482 19 D N 6.037 126.531 120.400 0.157 0.000 2.586 19 D HA -0.056 4.621 4.640 0.062 0.000 0.234 19 D C 1.122 177.478 176.300 0.094 0.000 1.132 19 D CA 0.638 54.779 54.000 0.235 0.000 0.860 19 D CB 1.064 41.991 40.800 0.212 0.000 1.159 19 D HN 0.676 nan 8.370 nan 0.000 0.490 20 E N 1.407 121.615 120.200 0.014 0.000 2.513 20 E HA 0.176 4.563 4.350 0.062 0.000 0.225 20 E C -0.497 175.950 176.600 -0.255 0.000 1.019 20 E CA -0.330 55.996 56.400 -0.124 0.000 1.041 20 E CB 0.406 29.999 29.700 -0.178 0.000 2.093 20 E HN 0.123 nan 8.360 nan 0.000 0.551 21 V N 1.861 121.337 119.914 -0.731 0.000 3.434 21 V HA -0.102 4.055 4.120 0.062 0.000 0.459 21 V C -2.598 173.124 176.094 -0.620 0.000 0.681 21 V CA 0.073 61.744 62.300 -1.049 0.000 1.967 21 V CB -1.717 29.842 31.823 -0.441 0.000 2.417 21 V HN 0.457 nan 8.190 nan 0.000 0.495 22 P HA 0.336 nan 4.420 nan 0.000 0.264 22 P C 0.842 178.023 177.300 -0.198 0.000 1.193 22 P CA 1.259 64.168 63.100 -0.317 0.000 0.763 22 P CB 0.684 32.237 31.700 -0.244 0.000 0.810 23 G N 3.087 111.827 108.800 -0.099 0.000 2.614 23 G HA2 0.033 4.030 3.960 0.062 0.000 0.239 23 G HA3 0.033 4.030 3.960 0.062 0.000 0.239 23 G C 1.237 176.146 174.900 0.015 0.000 1.240 23 G CA -0.531 44.561 45.100 -0.012 0.000 0.842 23 G HN 0.362 nan 8.290 nan 0.000 0.584 24 M N 1.437 121.084 119.600 0.080 0.000 2.192 24 M HA -0.211 4.306 4.480 0.062 0.000 0.259 24 M C 2.795 179.121 176.300 0.042 0.000 1.071 24 M CA 1.768 57.130 55.300 0.104 0.000 1.082 24 M CB -1.547 31.142 32.600 0.149 0.000 1.373 24 M HN 0.672 nan 8.290 nan 0.000 0.408 25 A N -0.327 122.497 122.820 0.006 0.000 1.933 25 A HA -0.144 4.213 4.320 0.062 0.000 0.218 25 A C 1.191 178.612 177.584 -0.271 0.000 1.175 25 A CA 1.421 53.402 52.037 -0.094 0.000 0.628 25 A CB -0.507 18.472 19.000 -0.034 0.000 0.814 25 A HN 0.428 nan 8.150 nan 0.000 0.444 26 D N -0.466 119.841 120.400 -0.155 0.000 2.456 26 D HA 0.177 4.854 4.640 0.062 0.000 0.219 26 D C 0.880 177.118 176.300 -0.103 0.000 1.126 26 D CA -0.204 53.705 54.000 -0.152 0.000 0.890 26 D CB 0.629 41.367 40.800 -0.103 0.000 1.025 26 D HN 0.505 nan 8.370 nan 0.000 0.511 27 E N 1.766 121.898 120.200 -0.114 0.000 2.072 27 E HA -0.131 4.255 4.350 0.062 0.000 0.190 27 E C 0.995 177.580 176.600 -0.025 0.000 0.982 27 E CA 0.816 57.192 56.400 -0.039 0.000 0.803 27 E CB 0.461 30.150 29.700 -0.019 0.000 0.755 27 E HN 0.347 nan 8.360 nan 0.000 0.453 28 T N 0.452 114.985 114.554 -0.036 0.000 2.788 28 T HA -0.095 4.292 4.350 0.062 0.000 0.268 28 T C 1.738 176.425 174.700 -0.021 0.000 1.044 28 T CA 1.261 63.347 62.100 -0.024 0.000 1.139 28 T CB -0.173 68.683 68.868 -0.021 0.000 0.867 28 T HN 0.317 nan 8.240 nan 0.000 0.454 29 A N 1.074 123.876 122.820 -0.031 0.000 1.897 29 A HA 0.048 4.405 4.320 0.062 0.000 0.215 29 A C 2.181 179.759 177.584 -0.009 0.000 1.181 29 A CA 1.018 53.038 52.037 -0.027 0.000 0.620 29 A CB -0.737 18.232 19.000 -0.051 0.000 0.821 29 A HN 0.405 nan 8.150 nan 0.000 0.443 30 L N 0.117 121.330 121.223 -0.015 0.000 1.989 30 L HA -0.155 4.221 4.340 0.062 0.000 0.211 30 L C 2.288 179.194 176.870 0.060 0.000 1.071 30 L CA 1.826 56.676 54.840 0.016 0.000 0.749 30 L CB -0.639 41.451 42.059 0.051 0.000 0.890 30 L HN 0.417 nan 8.230 nan 0.000 0.431 31 L N -0.653 120.586 121.223 0.027 0.000 2.083 31 L HA -0.204 4.173 4.340 0.062 0.000 0.209 31 L C 2.313 179.167 176.870 -0.026 0.000 1.083 31 L CA 1.584 56.425 54.840 0.002 0.000 0.752 31 L CB -0.781 41.266 42.059 -0.020 0.000 0.899 31 L HN 0.401 nan 8.230 nan 0.000 0.433 32 D N -0.631 119.761 120.400 -0.015 0.000 2.117 32 D HA -0.249 4.428 4.640 0.062 0.000 0.198 32 D C 1.983 178.248 176.300 -0.058 0.000 0.982 32 D CA 1.028 55.005 54.000 -0.038 0.000 0.828 32 D CB -0.159 40.629 40.800 -0.021 0.000 0.967 32 D HN 0.279 nan 8.370 nan 0.000 0.464 33 W N 1.065 122.226 121.300 -0.232 0.000 2.315 33 W HA -0.176 4.512 4.660 0.047 0.000 0.323 33 W C 2.150 178.393 176.519 -0.459 0.000 1.233 33 W CA 1.847 58.990 57.345 -0.335 0.000 1.267 33 W CB -0.604 28.647 29.460 -0.347 0.000 1.160 33 W HN 0.026 nan 8.180 nan 0.000 0.474 34 L N 0.341 121.386 121.223 -0.297 0.000 2.043 34 L HA -0.209 4.168 4.340 0.062 0.000 0.212 34 L C 2.703 179.261 176.870 -0.520 0.000 1.075 34 L CA 1.667 56.162 54.840 -0.574 0.000 0.752 34 L CB -1.659 40.259 42.059 -0.236 0.000 0.891 34 L HN 0.272 nan 8.230 nan 0.000 0.432 35 G N -0.932 107.685 108.800 -0.305 0.000 2.440 35 G HA2 -0.260 3.736 3.960 0.062 0.000 0.218 35 G HA3 -0.260 3.736 3.960 0.062 0.000 0.218 35 G C 1.571 176.293 174.900 -0.296 0.000 1.154 35 G CA 1.422 46.382 45.100 -0.233 0.000 0.767 35 G HN 0.324 nan 8.290 nan 0.000 0.552 36 T N 1.409 115.733 114.554 -0.384 0.000 2.812 36 T HA -0.038 4.349 4.350 0.062 0.000 0.264 36 T C 2.569 176.951 174.700 -0.530 0.000 1.042 36 T CA 1.143 63.003 62.100 -0.400 0.000 1.140 36 T CB -0.141 68.488 68.868 -0.399 0.000 0.870 36 T HN 0.051 nan 8.240 nan 0.000 0.445 37 M N 0.987 120.069 119.600 -0.864 0.000 2.086 37 M HA 0.027 4.544 4.480 0.062 0.000 0.261 37 M C 2.344 178.334 176.300 -0.516 0.000 1.067 37 M CA 1.368 56.098 55.300 -0.950 0.000 1.116 37 M CB -1.123 30.345 32.600 -1.886 0.000 1.348 37 M HN 0.127 nan 8.290 nan 0.000 0.407 38 R N 0.222 120.466 120.500 -0.426 0.000 2.119 38 R HA -0.197 4.180 4.340 0.062 0.000 0.246 38 R C 2.206 178.444 176.300 -0.103 0.000 1.146 38 R CA 1.904 57.918 56.100 -0.143 0.000 0.962 38 R CB -0.101 30.135 30.300 -0.107 0.000 0.863 38 R HN 0.475 nan 8.270 nan 0.000 0.442 39 E N -0.434 119.671 120.200 -0.158 0.000 2.033 39 E HA -0.135 4.252 4.350 0.062 0.000 0.189 39 E C 1.489 178.026 176.600 -0.104 0.000 0.979 39 E CA 1.136 57.466 56.400 -0.116 0.000 0.802 39 E CB 0.269 29.886 29.700 -0.139 0.000 0.763 39 E HN 0.245 nan 8.360 nan 0.000 0.449 40 K N -0.852 119.453 120.400 -0.158 0.000 2.365 40 K HA 0.058 4.415 4.320 0.062 0.000 0.195 40 K C 0.590 177.134 176.600 -0.093 0.000 1.079 40 K CA 0.188 56.400 56.287 -0.126 0.000 0.979 40 K CB 0.692 33.095 32.500 -0.161 0.000 0.929 40 K HN -0.126 nan 8.250 nan 0.000 0.523 41 Q N 0.368 120.094 119.800 -0.124 0.000 3.557 41 Q HA 0.140 4.517 4.340 0.062 0.000 0.264 41 Q C -2.370 173.697 176.000 0.111 0.000 0.850 41 Q CA -1.606 54.187 55.803 -0.017 0.000 0.833 41 Q CB 1.152 29.834 28.738 -0.093 0.000 1.505 41 Q HN -0.124 nan 8.270 nan 0.000 0.402 42 P HA -0.072 nan 4.420 nan 0.000 0.222 42 P C -0.182 177.330 177.300 0.354 0.000 1.147 42 P CA 0.654 63.912 63.100 0.264 0.000 0.790 42 P CB 0.477 32.269 31.700 0.153 0.000 0.780 43 V N 0.220 120.337 119.914 0.338 0.000 2.443 43 V HA 0.393 4.550 4.120 0.062 0.000 0.293 43 V C -1.157 175.266 176.094 0.548 0.000 1.021 43 V CA -0.637 61.899 62.300 0.392 0.000 0.848 43 V CB 1.944 33.961 31.823 0.324 0.000 0.998 43 V HN 0.044 nan 8.190 nan 0.000 0.424 44 W N 4.562 126.072 121.300 0.351 0.000 2.702 44 W HA 0.590 5.289 4.660 0.065 0.000 0.331 44 W C -0.548 175.994 176.519 0.037 0.000 1.049 44 W CA -0.705 56.780 57.345 0.234 0.000 1.230 44 W CB 1.786 31.459 29.460 0.355 0.000 1.408 44 W HN 0.583 nan 8.180 nan 0.000 0.492 45 Q N 5.124 124.399 119.800 -0.875 0.000 2.347 45 Q HA 0.213 4.589 4.340 0.062 0.000 0.262 45 Q C -0.158 174.999 176.000 -1.407 0.000 0.980 45 Q CA -0.556 54.401 55.803 -1.410 0.000 0.867 45 Q CB 1.103 28.713 28.738 -1.881 0.000 1.242 45 Q HN 0.604 nan 8.270 nan 0.000 0.453 46 D N 2.594 122.232 120.400 -1.271 0.000 2.447 46 D HA -0.011 4.666 4.640 0.062 0.000 0.265 46 D C 0.880 176.877 176.300 -0.505 0.000 1.250 46 D CA -0.355 53.023 54.000 -1.036 0.000 1.046 46 D CB 0.512 40.916 40.800 -0.660 0.000 1.095 46 D HN 0.708 nan 8.370 nan 0.000 0.555 47 R N -1.018 119.251 120.500 -0.386 0.000 2.328 47 R HA -0.090 4.287 4.340 0.062 0.000 0.207 47 R C 0.632 176.617 176.300 -0.525 0.000 1.056 47 R CA 0.892 56.727 56.100 -0.442 0.000 1.016 47 R CB -0.683 29.331 30.300 -0.478 0.000 0.872 47 R HN 0.489 nan 8.270 nan 0.000 0.471 48 Y N 0.257 120.492 120.300 -0.107 0.000 2.457 48 Y HA 0.348 4.934 4.550 0.060 0.000 0.263 48 Y C 1.482 177.331 175.900 -0.085 0.000 1.164 48 Y CA 0.141 58.200 58.100 -0.067 0.000 1.274 48 Y CB 0.867 39.309 38.460 -0.031 0.000 1.097 48 Y HN 0.324 nan 8.280 nan 0.000 0.523 49 G N 0.384 109.134 108.800 -0.082 0.000 2.143 49 G HA2 -0.266 3.731 3.960 0.062 0.000 0.249 49 G HA3 -0.266 3.731 3.960 0.062 0.000 0.249 49 G C -0.211 174.645 174.900 -0.073 0.000 0.981 49 G CA 0.130 45.165 45.100 -0.108 0.000 0.665 49 G HN 0.132 nan 8.290 nan 0.000 0.528 50 V N 0.297 120.158 119.914 -0.088 0.000 2.465 50 V HA 0.609 4.765 4.120 0.062 0.000 0.279 50 V C 0.393 176.362 176.094 -0.208 0.000 1.045 50 V CA -0.510 61.761 62.300 -0.047 0.000 0.938 50 V CB 0.808 32.624 31.823 -0.013 0.000 0.986 50 V HN 0.294 nan 8.190 nan 0.000 0.467 51 W N 3.662 124.857 121.300 -0.175 0.000 2.449 51 W HA 0.571 5.267 4.660 0.060 0.000 0.331 51 W C 0.282 176.652 176.519 -0.248 0.000 1.119 51 W CA -0.285 56.992 57.345 -0.114 0.000 1.240 51 W CB 0.719 30.162 29.460 -0.028 0.000 1.251 51 W HN 0.511 nan 8.180 nan 0.000 0.576 52 H N 1.183 120.408 119.070 0.258 0.000 2.679 52 H HA 0.565 5.158 4.556 0.062 0.000 0.360 52 H C -1.195 173.954 175.328 -0.299 0.000 1.105 52 H CA -0.915 55.172 56.048 0.066 0.000 1.196 52 H CB 2.080 31.974 29.762 0.219 0.000 1.636 52 H HN 0.045 nan 8.280 nan 0.000 0.531 53 V N 4.152 123.911 119.914 -0.259 0.000 2.444 53 V HA 0.152 4.309 4.120 0.062 0.000 0.294 53 V C -0.294 175.676 176.094 -0.206 0.000 1.022 53 V CA -0.230 61.943 62.300 -0.211 0.000 0.850 53 V CB 1.104 32.885 31.823 -0.070 0.000 0.992 53 V HN 0.758 nan 8.190 nan 0.000 0.426 54 F N 1.755 121.815 119.950 0.183 0.000 2.680 54 F HA 0.371 4.936 4.527 0.063 0.000 0.290 54 F C 1.436 177.293 175.800 0.095 0.000 1.114 54 F CA -0.467 57.598 58.000 0.108 0.000 1.333 54 F CB 0.484 39.444 39.000 -0.066 0.000 1.091 54 F HN 0.292 nan 8.300 nan 0.000 0.606 55 R N 0.560 121.201 120.500 0.235 0.000 2.490 55 R HA 0.078 4.455 4.340 0.062 0.000 0.278 55 R C 1.289 177.679 176.300 0.150 0.000 1.069 55 R CA -0.266 55.937 56.100 0.172 0.000 1.080 55 R CB 0.467 30.841 30.300 0.124 0.000 1.030 55 R HN 0.183 nan 8.270 nan 0.000 0.491 56 H N 2.120 121.232 119.070 0.070 0.000 2.290 56 H HA -0.187 4.405 4.556 0.061 0.000 0.298 56 H C 1.505 176.834 175.328 0.000 0.000 1.087 56 H CA 2.434 58.505 56.048 0.039 0.000 1.291 56 H CB 0.310 30.078 29.762 0.010 0.000 1.369 56 H HN 0.741 nan 8.280 nan 0.000 0.492 57 A N 0.576 123.402 122.820 0.010 0.000 1.969 57 A HA -0.138 4.218 4.320 0.062 0.000 0.218 57 A C 2.068 179.612 177.584 -0.067 0.000 1.169 57 A CA 1.634 53.643 52.037 -0.048 0.000 0.635 57 A CB -0.154 18.866 19.000 0.034 0.000 0.810 57 A HN 0.467 nan 8.150 nan 0.000 0.445 58 D N -0.412 119.970 120.400 -0.029 0.000 2.137 58 D HA -0.043 4.634 4.640 0.062 0.000 0.202 58 D C 2.151 178.401 176.300 -0.082 0.000 0.970 58 D CA 1.165 55.148 54.000 -0.029 0.000 0.837 58 D CB -0.431 40.378 40.800 0.015 0.000 0.981 58 D HN 0.179 nan 8.370 nan 0.000 0.475 59 V N 1.598 121.466 119.914 -0.077 0.000 2.252 59 V HA -0.305 3.852 4.120 0.062 0.000 0.249 59 V C 2.583 178.595 176.094 -0.137 0.000 1.056 59 V CA 1.775 64.019 62.300 -0.094 0.000 1.022 59 V CB -0.597 31.203 31.823 -0.039 0.000 0.641 59 V HN 0.231 nan 8.190 nan 0.000 0.445 60 Q N -0.485 119.172 119.800 -0.237 0.000 2.062 60 Q HA -0.257 4.120 4.340 0.062 0.000 0.209 60 Q C 2.325 178.317 176.000 -0.012 0.000 0.996 60 Q CA 2.428 58.080 55.803 -0.251 0.000 0.859 60 Q CB -0.614 27.837 28.738 -0.479 0.000 0.920 60 Q HN 0.683 nan 8.270 nan 0.000 0.415 61 T N 0.850 115.384 114.554 -0.033 0.000 2.635 61 T HA -0.165 4.222 4.350 0.062 0.000 0.267 61 T C 2.051 176.756 174.700 0.008 0.000 1.040 61 T CA 1.595 63.712 62.100 0.029 0.000 1.156 61 T CB -0.433 68.449 68.868 0.024 0.000 0.863 61 T HN 0.058 nan 8.240 nan 0.000 0.430 62 V N 1.546 121.349 119.914 -0.185 0.000 2.220 62 V HA -0.149 4.008 4.120 0.062 0.000 0.246 62 V C 2.560 178.531 176.094 -0.205 0.000 1.049 62 V CA 1.690 63.660 62.300 -0.550 0.000 1.003 62 V CB -0.761 30.597 31.823 -0.774 0.000 0.634 62 V HN 0.445 nan 8.190 nan 0.000 0.444 63 L N -0.324 120.860 121.223 -0.066 0.000 2.127 63 L HA -0.223 4.154 4.340 0.062 0.000 0.211 63 L C 2.735 179.667 176.870 0.103 0.000 1.089 63 L CA 1.839 56.711 54.840 0.055 0.000 0.757 63 L CB -0.683 41.457 42.059 0.136 0.000 0.899 63 L HN 0.317 nan 8.230 nan 0.000 0.434 64 R N 0.219 120.807 120.500 0.146 0.000 2.090 64 R HA -0.130 4.247 4.340 0.062 0.000 0.228 64 R C 0.506 176.856 176.300 0.085 0.000 1.110 64 R CA 1.042 57.177 56.100 0.058 0.000 0.973 64 R CB -0.030 30.344 30.300 0.124 0.000 0.869 64 R HN 0.159 nan 8.270 nan 0.000 0.440 65 D N 0.966 121.463 120.400 0.160 0.000 2.522 65 D HA -0.000 4.677 4.640 0.062 0.000 0.218 65 D C 0.690 177.108 176.300 0.195 0.000 1.149 65 D CA 0.007 54.118 54.000 0.184 0.000 0.981 65 D CB 1.186 42.140 40.800 0.257 0.000 1.041 65 D HN 0.246 nan 8.370 nan 0.000 0.518 66 T N -0.152 114.467 114.554 0.109 0.000 2.995 66 T HA -0.010 4.377 4.350 0.062 0.000 0.269 66 T C 1.847 176.572 174.700 0.042 0.000 1.091 66 T CA 0.713 62.866 62.100 0.089 0.000 1.128 66 T CB 0.061 68.966 68.868 0.061 0.000 0.891 66 T HN 0.198 nan 8.240 nan 0.000 0.492 67 A N 1.870 124.698 122.820 0.013 0.000 1.898 67 A HA -0.004 4.353 4.320 0.062 0.000 0.216 67 A C 2.577 180.105 177.584 -0.093 0.000 1.181 67 A CA 1.966 53.984 52.037 -0.031 0.000 0.620 67 A CB -1.226 17.756 19.000 -0.031 0.000 0.819 67 A HN 0.555 nan 8.150 nan 0.000 0.442 68 T N -1.464 113.000 114.554 -0.150 0.000 2.894 68 T HA 0.187 4.574 4.350 0.062 0.000 0.258 68 T C -0.006 174.369 174.700 -0.542 0.000 1.043 68 T CA 0.610 62.463 62.100 -0.411 0.000 1.141 68 T CB -0.174 68.336 68.868 -0.598 0.000 0.873 68 T HN 0.270 nan 8.240 nan 0.000 0.449 69 F N 2.126 122.055 119.950 -0.036 0.000 2.359 69 F HA 0.486 5.052 4.527 0.064 0.000 0.369 69 F C 0.438 176.212 175.800 -0.043 0.000 1.084 69 F CA -0.992 56.982 58.000 -0.043 0.000 1.096 69 F CB 1.155 40.133 39.000 -0.036 0.000 1.335 69 F HN -0.049 nan 8.300 nan 0.000 0.457 70 S N 1.307 117.055 115.700 0.080 0.000 2.584 70 S HA 0.231 4.738 4.470 0.062 0.000 0.273 70 S C 0.947 175.541 174.600 -0.009 0.000 1.311 70 S CA -0.498 57.717 58.200 0.024 0.000 1.034 70 S CB 1.335 64.530 63.200 -0.009 0.000 0.939 70 S HN 0.517 nan 8.310 nan 0.000 0.513 71 S N 1.821 117.479 115.700 -0.071 0.000 2.575 71 S HA 0.112 4.619 4.470 0.062 0.000 0.215 71 S C -0.005 174.507 174.600 -0.146 0.000 0.966 71 S CA -0.206 57.894 58.200 -0.167 0.000 0.911 71 S CB -0.199 62.768 63.200 -0.389 0.000 0.780 71 S HN 0.824 nan 8.310 nan 0.000 0.514 72 D N 2.201 122.548 120.400 -0.089 0.000 2.365 72 D HA 0.209 4.886 4.640 0.062 0.000 0.237 72 D C -1.831 174.429 176.300 -0.065 0.000 1.190 72 D CA -2.262 51.690 54.000 -0.081 0.000 0.867 72 D CB 1.365 42.135 40.800 -0.050 0.000 1.050 72 D HN 0.018 nan 8.370 nan 0.000 0.491 73 P HA -0.094 nan 4.420 nan 0.000 0.216 73 P C 1.206 178.483 177.300 -0.038 0.000 1.153 73 P CA 1.211 64.280 63.100 -0.052 0.000 0.844 73 P CB -0.133 31.533 31.700 -0.057 0.000 0.787 74 T N -1.915 112.614 114.554 -0.041 0.000 3.219 74 T HA -0.109 4.278 4.350 0.062 0.000 0.264 74 T C 1.783 176.468 174.700 -0.024 0.000 1.178 74 T CA 0.405 62.487 62.100 -0.030 0.000 1.057 74 T CB -0.851 67.999 68.868 -0.030 0.000 0.919 74 T HN -0.023 nan 8.240 nan 0.000 0.545 75 R N 0.921 121.405 120.500 -0.026 0.000 2.105 75 R HA -0.078 4.299 4.340 0.062 0.000 0.239 75 R C 2.348 178.637 176.300 -0.018 0.000 1.135 75 R CA 2.063 58.150 56.100 -0.023 0.000 0.967 75 R CB -0.580 29.705 30.300 -0.025 0.000 0.861 75 R HN 0.529 nan 8.270 nan 0.000 0.442 76 V N -0.022 119.884 119.914 -0.014 0.000 2.379 76 V HA 0.115 4.272 4.120 0.062 0.000 0.243 76 V C 1.507 177.597 176.094 -0.007 0.000 1.035 76 V CA 0.738 63.033 62.300 -0.008 0.000 1.035 76 V CB -0.932 30.890 31.823 -0.002 0.000 0.673 76 V HN 0.355 nan 8.190 nan 0.000 0.457 77 I N 1.237 121.802 120.570 -0.008 0.000 2.815 77 I HA 0.110 4.317 4.170 0.062 0.000 0.291 77 I C 1.565 177.678 176.117 -0.007 0.000 1.209 77 I CA 0.205 61.501 61.300 -0.007 0.000 1.431 77 I CB 0.781 38.776 38.000 -0.008 0.000 1.351 77 I HN 0.423 nan 8.210 nan 0.000 0.585 78 E N 3.767 123.965 120.200 -0.005 0.000 2.333 78 E HA 0.027 4.414 4.350 0.062 0.000 0.198 78 E C 0.818 177.415 176.600 -0.006 0.000 1.007 78 E CA 0.969 57.366 56.400 -0.005 0.000 0.845 78 E CB -0.664 29.035 29.700 -0.003 0.000 0.766 78 E HN 0.792 nan 8.360 nan 0.000 0.507 79 G N 0.482 109.278 108.800 -0.007 0.000 2.607 79 G HA2 0.486 4.483 3.960 0.062 0.000 0.332 79 G HA3 0.486 4.483 3.960 0.062 0.000 0.332 79 G C -0.141 174.753 174.900 -0.010 0.000 1.046 79 G CA -0.456 44.640 45.100 -0.007 0.000 1.099 79 G HN 0.340 nan 8.290 nan 0.000 0.451 80 A N 2.860 125.674 122.820 -0.010 0.000 3.125 80 A HA 0.394 4.751 4.320 0.062 0.000 0.272 80 A C 1.349 178.926 177.584 -0.012 0.000 1.976 80 A CA 0.229 52.259 52.037 -0.012 0.000 1.502 80 A CB -0.554 18.440 19.000 -0.011 0.000 0.959 80 A HN 1.182 nan 8.150 nan 0.000 0.608 81 S N 1.228 116.919 115.700 -0.014 0.000 2.891 81 S HA 0.487 4.994 4.470 0.062 0.000 0.186 81 S C -2.771 171.817 174.600 -0.019 0.000 1.401 81 S CA -1.379 56.813 58.200 -0.013 0.000 1.035 81 S CB 0.169 63.362 63.200 -0.011 0.000 1.293 81 S HN 0.339 nan 8.310 nan 0.000 0.493 82 P HA 0.246 nan 4.420 nan 0.000 0.281 82 P C -0.271 177.018 177.300 -0.018 0.000 1.286 82 P CA -0.089 62.995 63.100 -0.026 0.000 0.772 82 P CB 0.514 32.201 31.700 -0.021 0.000 0.862 83 T N 6.759 121.301 114.554 -0.021 0.000 2.793 83 T HA 0.131 4.518 4.350 0.062 0.000 0.289 83 T C -2.122 172.584 174.700 0.009 0.000 0.956 83 T CA -0.567 61.531 62.100 -0.003 0.000 1.177 83 T CB -0.610 68.259 68.868 0.002 0.000 0.897 83 T HN 0.276 nan 8.240 nan 0.000 0.533 84 P HA 0.277 nan 4.420 nan 0.000 0.271 84 P C 1.029 178.355 177.300 0.043 0.000 1.220 84 P CA 0.411 63.523 63.100 0.020 0.000 0.768 84 P CB 0.490 32.197 31.700 0.013 0.000 0.848 85 G N 2.604 111.433 108.800 0.047 0.000 2.176 85 G HA2 -0.228 3.769 3.960 0.062 0.000 0.253 85 G HA3 -0.228 3.769 3.960 0.062 0.000 0.253 85 G C 0.182 175.187 174.900 0.175 0.000 0.979 85 G CA -0.416 44.733 45.100 0.083 0.000 0.641 85 G HN 0.420 nan 8.290 nan 0.000 0.530 86 M N 1.215 120.894 119.600 0.132 0.000 2.974 86 M HA 0.403 4.920 4.480 0.062 0.000 0.301 86 M C 1.682 178.075 176.300 0.156 0.000 1.409 86 M CA -1.237 54.161 55.300 0.163 0.000 1.515 86 M CB -0.574 32.043 32.600 0.029 0.000 1.163 86 M HN 0.354 nan 8.290 nan 0.000 0.520 87 I N 2.473 123.219 120.570 0.294 0.000 2.530 87 I HA -0.298 3.909 4.170 0.062 0.000 0.257 87 I C 2.278 178.644 176.117 0.415 0.000 1.179 87 I CA 1.362 62.844 61.300 0.303 0.000 1.440 87 I CB -0.054 38.089 38.000 0.238 0.000 1.087 87 I HN 0.643 nan 8.210 nan 0.000 0.440 88 H N -0.274 118.916 119.070 0.199 0.000 2.547 88 H HA 0.114 4.707 4.556 0.062 0.000 0.266 88 H C 0.704 175.966 175.328 -0.111 0.000 0.988 88 H CA 0.306 56.382 56.048 0.046 0.000 1.147 88 H CB -0.131 29.620 29.762 -0.018 0.000 1.365 88 H HN 0.495 nan 8.280 nan 0.000 0.589 89 E N 0.695 120.658 120.200 -0.394 0.000 2.734 89 E HA 0.358 4.744 4.350 0.062 0.000 0.211 89 E C -0.663 175.856 176.600 -0.135 0.000 0.991 89 E CA -0.113 56.065 56.400 -0.370 0.000 1.065 89 E CB 0.829 30.247 29.700 -0.469 0.000 1.047 89 E HN 0.340 nan 8.360 nan 0.000 0.470 90 I N 1.093 121.666 120.570 0.004 0.000 2.569 90 I HA 0.230 4.437 4.170 0.062 0.000 0.290 90 I C -0.622 175.597 176.117 0.170 0.000 1.088 90 I CA -0.916 60.437 61.300 0.088 0.000 1.047 90 I CB 1.975 40.049 38.000 0.123 0.000 1.237 90 I HN -0.145 nan 8.210 nan 0.000 0.421 91 D N 6.674 127.137 120.400 0.105 0.000 2.340 91 D HA 0.359 5.036 4.640 0.062 0.000 0.251 91 D C -2.412 173.955 176.300 0.112 0.000 1.080 91 D CA -1.481 52.581 54.000 0.103 0.000 0.971 91 D CB 0.647 41.478 40.800 0.051 0.000 1.137 91 D HN 0.102 nan 8.370 nan 0.000 0.475 92 P HA -0.016 nan 4.420 nan 0.000 0.266 92 P C -1.758 175.566 177.300 0.040 0.000 1.180 92 P CA -0.403 62.738 63.100 0.069 0.000 0.765 92 P CB 0.131 31.856 31.700 0.041 0.000 0.806 93 P HA 0.050 nan 4.420 nan 0.000 0.252 93 P C 0.684 177.997 177.300 0.022 0.000 1.218 93 P CA 0.740 63.854 63.100 0.024 0.000 0.807 93 P CB 0.362 32.066 31.700 0.006 0.000 1.072 94 E N -0.535 119.683 120.200 0.030 0.000 2.110 94 E HA -0.213 4.174 4.350 0.062 0.000 0.193 94 E C 2.137 178.747 176.600 0.017 0.000 0.988 94 E CA 0.912 57.321 56.400 0.015 0.000 0.804 94 E CB -1.090 28.622 29.700 0.019 0.000 0.745 94 E HN 0.427 nan 8.360 nan 0.000 0.458 95 H N 1.025 120.080 119.070 -0.025 0.000 2.357 95 H HA -0.151 4.442 4.556 0.062 0.000 0.296 95 H C 2.173 177.454 175.328 -0.078 0.000 1.108 95 H CA 1.654 57.675 56.048 -0.045 0.000 1.273 95 H CB 0.181 29.901 29.762 -0.070 0.000 1.367 95 H HN 0.009 nan 8.280 nan 0.000 0.498 96 R N 0.432 120.866 120.500 -0.110 0.000 2.073 96 R HA -0.087 4.290 4.340 0.062 0.000 0.234 96 R C 2.424 178.615 176.300 -0.181 0.000 1.134 96 R CA 1.219 57.225 56.100 -0.156 0.000 0.952 96 R CB -0.448 29.827 30.300 -0.042 0.000 0.850 96 R HN 0.417 nan 8.270 nan 0.000 0.433 97 A N 0.695 123.439 122.820 -0.126 0.000 1.929 97 A HA -0.120 4.237 4.320 0.062 0.000 0.216 97 A C 2.059 179.554 177.584 -0.147 0.000 1.176 97 A CA 0.723 52.694 52.037 -0.110 0.000 0.628 97 A CB -0.401 18.556 19.000 -0.072 0.000 0.816 97 A HN 0.264 nan 8.150 nan 0.000 0.444 98 L N -0.198 120.918 121.223 -0.179 0.000 2.005 98 L HA -0.083 4.294 4.340 0.062 0.000 0.207 98 L C 2.486 179.182 176.870 -0.290 0.000 1.072 98 L CA 2.327 57.040 54.840 -0.212 0.000 0.744 98 L CB -0.699 41.252 42.059 -0.180 0.000 0.895 98 L HN 0.474 nan 8.230 nan 0.000 0.433 99 R N -0.313 119.956 120.500 -0.384 0.000 2.091 99 R HA -0.218 4.159 4.340 0.062 0.000 0.238 99 R C 2.321 178.487 176.300 -0.223 0.000 1.136 99 R CA 1.858 57.741 56.100 -0.362 0.000 0.959 99 R CB -0.225 29.775 30.300 -0.500 0.000 0.856 99 R HN 0.230 nan 8.270 nan 0.000 0.437 100 K N -0.737 119.551 120.400 -0.186 0.000 2.063 100 K HA -0.104 4.253 4.320 0.062 0.000 0.208 100 K C 1.874 178.410 176.600 -0.107 0.000 1.048 100 K CA 1.627 57.844 56.287 -0.117 0.000 0.928 100 K CB -0.033 32.410 32.500 -0.095 0.000 0.713 100 K HN 0.031 nan 8.250 nan 0.000 0.442 101 V N 0.611 120.443 119.914 -0.136 0.000 2.307 101 V HA -0.229 3.928 4.120 0.062 0.000 0.245 101 V C 2.206 178.222 176.094 -0.131 0.000 1.045 101 V CA 1.886 64.114 62.300 -0.120 0.000 1.024 101 V CB -0.296 31.448 31.823 -0.131 0.000 0.651 101 V HN 0.263 nan 8.190 nan 0.000 0.449 102 V N -0.277 119.499 119.914 -0.229 0.000 2.379 102 V HA -0.152 4.005 4.120 0.062 0.000 0.245 102 V C 2.573 178.652 176.094 -0.024 0.000 1.044 102 V CA 1.985 64.137 62.300 -0.247 0.000 1.036 102 V CB -1.415 29.974 31.823 -0.722 0.000 0.664 102 V HN 0.629 nan 8.190 nan 0.000 0.453 103 S N 2.469 118.156 115.700 -0.020 0.000 2.402 103 S HA -0.260 4.247 4.470 0.062 0.000 0.233 103 S C 2.130 176.777 174.600 0.078 0.000 1.030 103 S CA 2.020 60.269 58.200 0.081 0.000 1.003 103 S CB -1.181 62.042 63.200 0.038 0.000 0.813 103 S HN 1.064 nan 8.310 nan 0.000 0.477 104 S N 1.655 117.372 115.700 0.027 0.000 2.453 104 S HA 0.259 4.766 4.470 0.062 0.000 0.231 104 S C 1.855 176.483 174.600 0.047 0.000 1.005 104 S CA 0.578 58.792 58.200 0.024 0.000 0.949 104 S CB -0.542 62.656 63.200 -0.003 0.000 0.774 104 S HN 0.809 nan 8.310 nan 0.000 0.510 105 A N 0.412 123.282 122.820 0.083 0.000 1.956 105 A HA 0.404 4.761 4.320 0.062 0.000 0.212 105 A C 0.827 178.515 177.584 0.174 0.000 1.188 105 A CA 0.056 52.163 52.037 0.116 0.000 0.675 105 A CB -0.492 18.589 19.000 0.135 0.000 0.845 105 A HN 0.564 nan 8.150 nan 0.000 0.455 106 F N 3.020 123.004 119.950 0.057 0.000 2.499 106 F HA 0.350 4.914 4.527 0.061 0.000 0.353 106 F C 0.640 176.470 175.800 0.050 0.000 1.196 106 F CA -0.208 57.838 58.000 0.078 0.000 1.244 106 F CB 0.122 39.206 39.000 0.139 0.000 1.577 106 F HN 0.132 nan 8.300 nan 0.000 0.614 107 T N 2.096 116.575 114.554 -0.124 0.000 2.945 107 T HA 0.429 4.816 4.350 0.062 0.000 0.286 107 T C -1.972 172.633 174.700 -0.158 0.000 1.025 107 T CA -2.166 59.882 62.100 -0.087 0.000 1.039 107 T CB 1.811 70.654 68.868 -0.042 0.000 1.068 107 T HN 0.062 nan 8.240 nan 0.000 0.497 108 P HA -0.146 nan 4.420 nan 0.000 0.214 108 P C 1.468 178.712 177.300 -0.094 0.000 1.169 108 P CA 1.161 64.209 63.100 -0.085 0.000 0.908 108 P CB 0.008 31.684 31.700 -0.041 0.000 0.791 109 R N -1.046 119.413 120.500 -0.069 0.000 2.140 109 R HA -0.142 4.235 4.340 0.062 0.000 0.250 109 R C 2.325 178.578 176.300 -0.077 0.000 1.150 109 R CA 2.200 58.265 56.100 -0.058 0.000 0.966 109 R CB -2.240 28.035 30.300 -0.042 0.000 0.869 109 R HN 0.225 nan 8.270 nan 0.000 0.445 110 T N 0.803 115.291 114.554 -0.111 0.000 2.821 110 T HA -0.012 4.375 4.350 0.062 0.000 0.267 110 T C 1.645 176.247 174.700 -0.164 0.000 1.046 110 T CA 1.042 63.063 62.100 -0.131 0.000 1.139 110 T CB -0.067 68.703 68.868 -0.163 0.000 0.871 110 T HN -0.001 nan 8.240 nan 0.000 0.454 111 I N 2.105 122.541 120.570 -0.224 0.000 2.163 111 I HA -0.098 4.109 4.170 0.062 0.000 0.240 111 I C 2.836 178.896 176.117 -0.096 0.000 1.081 111 I CA 1.438 62.623 61.300 -0.192 0.000 1.353 111 I CB -1.720 36.145 38.000 -0.226 0.000 1.054 111 I HN 0.313 nan 8.210 nan 0.000 0.407 112 S N 0.668 116.322 115.700 -0.076 0.000 2.382 112 S HA -0.185 4.322 4.470 0.062 0.000 0.228 112 S C 1.490 176.070 174.600 -0.033 0.000 1.027 112 S CA 1.291 59.465 58.200 -0.043 0.000 0.991 112 S CB -0.647 62.532 63.200 -0.034 0.000 0.823 112 S HN 0.420 nan 8.310 nan 0.000 0.469 113 D N 1.707 122.084 120.400 -0.039 0.000 2.351 113 D HA 0.013 4.690 4.640 0.062 0.000 0.216 113 D C 1.655 177.942 176.300 -0.023 0.000 0.968 113 D CA 0.625 54.608 54.000 -0.028 0.000 0.899 113 D CB -0.270 40.514 40.800 -0.028 0.000 0.907 113 D HN 0.452 nan 8.370 nan 0.000 0.514 114 L N 0.556 121.762 121.223 -0.028 0.000 2.478 114 L HA -0.048 4.329 4.340 0.062 0.000 0.223 114 L C 2.374 179.238 176.870 -0.009 0.000 1.140 114 L CA 0.357 55.186 54.840 -0.018 0.000 0.842 114 L CB -0.227 41.819 42.059 -0.021 0.000 0.953 114 L HN -0.038 nan 8.230 nan 0.000 0.452 115 E N 1.002 121.197 120.200 -0.008 0.000 2.049 115 E HA -0.244 4.143 4.350 0.062 0.000 0.198 115 E C -0.536 176.065 176.600 0.001 0.000 1.007 115 E CA 1.751 58.151 56.400 -0.001 0.000 0.809 115 E CB -0.550 29.150 29.700 0.001 0.000 0.749 115 E HN 0.320 nan 8.360 nan 0.000 0.450 116 P HA -0.159 nan 4.420 nan 0.000 0.215 116 P C 1.088 178.386 177.300 -0.002 0.000 1.153 116 P CA 1.412 64.511 63.100 -0.002 0.000 0.853 116 P CB -0.049 31.649 31.700 -0.003 0.000 0.788 117 R N 0.105 120.603 120.500 -0.003 0.000 2.081 117 R HA -0.043 4.334 4.340 0.062 0.000 0.235 117 R C 2.166 178.464 176.300 -0.002 0.000 1.131 117 R CA 1.383 57.481 56.100 -0.003 0.000 0.960 117 R CB -1.608 28.691 30.300 -0.002 0.000 0.856 117 R HN 0.127 nan 8.270 nan 0.000 0.436 118 I N -0.049 120.521 120.570 0.000 0.000 2.208 118 I HA -0.315 3.892 4.170 0.062 0.000 0.245 118 I C 2.643 178.762 176.117 0.004 0.000 1.097 118 I CA 1.700 63.002 61.300 0.003 0.000 1.363 118 I CB -0.292 37.714 38.000 0.009 0.000 1.051 118 I HN 0.209 nan 8.210 nan 0.000 0.413 119 R N 0.619 121.122 120.500 0.004 0.000 2.073 119 R HA -0.203 4.174 4.340 0.062 0.000 0.229 119 R C 1.981 178.279 176.300 -0.003 0.000 1.120 119 R CA 1.969 58.072 56.100 0.004 0.000 0.967 119 R CB -0.197 30.106 30.300 0.004 0.000 0.862 119 R HN 0.327 nan 8.270 nan 0.000 0.436 120 D N -0.490 119.907 120.400 -0.006 0.000 2.088 120 D HA -0.166 4.511 4.640 0.062 0.000 0.191 120 D C 1.819 178.112 176.300 -0.012 0.000 0.992 120 D CA 2.000 55.994 54.000 -0.010 0.000 0.831 120 D CB -0.011 40.784 40.800 -0.008 0.000 0.973 120 D HN 0.037 nan 8.370 nan 0.000 0.447 121 V N 0.120 120.028 119.914 -0.010 0.000 2.252 121 V HA -0.313 3.844 4.120 0.062 0.000 0.249 121 V C 2.606 178.692 176.094 -0.013 0.000 1.056 121 V CA 2.325 64.617 62.300 -0.013 0.000 1.022 121 V CB -1.130 30.684 31.823 -0.014 0.000 0.641 121 V HN 0.352 nan 8.190 nan 0.000 0.445 122 T N -0.761 113.789 114.554 -0.006 0.000 2.720 122 T HA -0.247 4.140 4.350 0.062 0.000 0.268 122 T C 2.070 176.764 174.700 -0.009 0.000 1.037 122 T CA 1.926 64.027 62.100 0.003 0.000 1.144 122 T CB -0.268 68.611 68.868 0.018 0.000 0.864 122 T HN 0.391 nan 8.240 nan 0.000 0.444 123 R N 0.549 121.038 120.500 -0.019 0.000 2.075 123 R HA -0.043 4.334 4.340 0.062 0.000 0.232 123 R C 2.733 179.004 176.300 -0.048 0.000 1.126 123 R CA 1.476 57.553 56.100 -0.038 0.000 0.963 123 R CB -0.275 30.003 30.300 -0.036 0.000 0.858 123 R HN 0.204 nan 8.270 nan 0.000 0.435 124 S N 0.649 116.326 115.700 -0.037 0.000 2.382 124 S HA -0.063 4.444 4.470 0.062 0.000 0.228 124 S C 1.808 176.381 174.600 -0.045 0.000 1.027 124 S CA 0.976 59.153 58.200 -0.038 0.000 0.991 124 S CB -0.103 63.081 63.200 -0.027 0.000 0.823 124 S HN 0.268 nan 8.310 nan 0.000 0.469 125 L N 0.864 122.063 121.223 -0.040 0.000 2.056 125 L HA -0.067 4.310 4.340 0.062 0.000 0.207 125 L C 2.143 178.963 176.870 -0.084 0.000 1.078 125 L CA 1.058 55.868 54.840 -0.049 0.000 0.749 125 L CB -0.545 41.496 42.059 -0.030 0.000 0.901 125 L HN 0.300 nan 8.230 nan 0.000 0.433 126 L N -0.418 120.763 121.223 -0.070 0.000 2.156 126 L HA -0.109 4.268 4.340 0.062 0.000 0.208 126 L C 2.816 179.618 176.870 -0.112 0.000 1.095 126 L CA 0.782 55.572 54.840 -0.082 0.000 0.770 126 L CB -0.701 41.347 42.059 -0.018 0.000 0.914 126 L HN 0.208 nan 8.230 nan 0.000 0.439 127 A N -0.428 122.329 122.820 -0.106 0.000 2.076 127 A HA -0.269 4.088 4.320 0.062 0.000 0.220 127 A C 1.787 179.327 177.584 -0.074 0.000 1.160 127 A CA 2.179 54.157 52.037 -0.097 0.000 0.653 127 A CB -0.428 18.526 19.000 -0.077 0.000 0.801 127 A HN 0.399 nan 8.150 nan 0.000 0.455 128 D N -2.057 118.292 120.400 -0.084 0.000 2.398 128 D HA 0.420 5.097 4.640 0.062 0.000 0.210 128 D C 1.624 177.862 176.300 -0.103 0.000 1.094 128 D CA 0.661 54.618 54.000 -0.071 0.000 0.839 128 D CB 0.124 40.889 40.800 -0.058 0.000 0.963 128 D HN 0.283 nan 8.370 nan 0.000 0.506 129 A N -0.070 122.637 122.820 -0.189 0.000 2.016 129 A HA 0.491 4.848 4.320 0.062 0.000 0.217 129 A C 1.521 179.011 177.584 -0.156 0.000 1.162 129 A CA 1.103 52.906 52.037 -0.390 0.000 0.662 129 A CB -0.493 17.834 19.000 -1.121 0.000 0.812 129 A HN 0.393 nan 8.150 nan 0.000 0.450 130 G N -0.974 107.832 108.800 0.009 0.000 2.615 130 G HA2 -0.196 3.801 3.960 0.062 0.000 0.218 130 G HA3 -0.196 3.801 3.960 0.062 0.000 0.218 130 G C 0.044 175.104 174.900 0.266 0.000 1.339 130 G CA 0.153 45.327 45.100 0.123 0.000 0.884 130 G HN 0.309 nan 8.290 nan 0.000 0.559 131 E N -0.596 119.736 120.200 0.221 0.000 2.526 131 E HA 0.401 4.788 4.350 0.062 0.000 0.208 131 E C 0.402 177.029 176.600 0.046 0.000 0.997 131 E CA 0.729 57.225 56.400 0.159 0.000 0.961 131 E CB 0.790 30.544 29.700 0.089 0.000 1.030 131 E HN 0.592 nan 8.360 nan 0.000 0.483 132 S N 0.760 116.541 115.700 0.135 0.000 2.737 132 S HA 0.498 5.005 4.470 0.062 0.000 0.269 132 S C -1.151 173.496 174.600 0.079 0.000 1.150 132 S CA -0.843 57.334 58.200 -0.040 0.000 1.077 132 S CB -0.015 63.163 63.200 -0.037 0.000 1.075 132 S HN 0.243 nan 8.310 nan 0.000 0.476 133 F N 0.879 120.775 119.950 -0.090 0.000 2.745 133 F HA 0.696 5.262 4.527 0.065 0.000 0.316 133 F C -0.935 174.832 175.800 -0.055 0.000 1.155 133 F CA -1.206 56.760 58.000 -0.056 0.000 0.937 133 F CB 0.415 39.391 39.000 -0.039 0.000 1.361 133 F HN 0.354 nan 8.300 nan 0.000 0.472 134 D N 1.486 121.992 120.400 0.177 0.000 2.316 134 D HA 0.196 4.873 4.640 0.062 0.000 0.245 134 D C 0.724 177.158 176.300 0.223 0.000 1.171 134 D CA -0.195 53.865 54.000 0.102 0.000 0.856 134 D CB 1.389 42.261 40.800 0.121 0.000 1.090 134 D HN 0.711 nan 8.370 nan 0.000 0.476 135 L N 4.578 125.849 121.223 0.081 0.000 2.127 135 L HA -0.134 4.243 4.340 0.062 0.000 0.211 135 L C 1.754 178.679 176.870 0.091 0.000 1.089 135 L CA 1.463 56.401 54.840 0.163 0.000 0.757 135 L CB -0.100 41.979 42.059 0.033 0.000 0.899 135 L HN 0.482 nan 8.230 nan 0.000 0.434 136 V N -0.769 119.133 119.914 -0.020 0.000 2.283 136 V HA -0.237 3.920 4.120 0.062 0.000 0.243 136 V C 2.180 178.244 176.094 -0.049 0.000 1.039 136 V CA 1.912 64.119 62.300 -0.155 0.000 1.016 136 V CB -0.583 30.983 31.823 -0.428 0.000 0.650 136 V HN 0.389 nan 8.190 nan 0.000 0.449 137 D N -0.295 120.117 120.400 0.020 0.000 2.144 137 D HA -0.112 4.565 4.640 0.062 0.000 0.200 137 D C 2.058 178.433 176.300 0.125 0.000 0.978 137 D CA 1.026 55.083 54.000 0.094 0.000 0.833 137 D CB -0.091 40.779 40.800 0.118 0.000 0.961 137 D HN 0.248 nan 8.370 nan 0.000 0.470 138 V N -0.087 119.903 119.914 0.128 0.000 2.346 138 V HA -0.084 4.073 4.120 0.062 0.000 0.244 138 V C 1.942 178.068 176.094 0.053 0.000 1.037 138 V CA 1.193 63.536 62.300 0.072 0.000 1.029 138 V CB 0.090 31.922 31.823 0.014 0.000 0.663 138 V HN 0.134 nan 8.190 nan 0.000 0.454 139 L N -1.249 120.025 121.223 0.084 0.000 2.664 139 L HA 0.504 4.880 4.340 0.062 0.000 0.198 139 L C 2.160 179.053 176.870 0.039 0.000 1.057 139 L CA 1.579 56.456 54.840 0.061 0.000 0.871 139 L CB -0.552 41.566 42.059 0.098 0.000 1.364 139 L HN 0.073 nan 8.230 nan 0.000 0.483 140 A N -0.508 122.333 122.820 0.035 0.000 1.972 140 A HA -0.195 4.162 4.320 0.062 0.000 0.219 140 A C 2.109 179.687 177.584 -0.011 0.000 1.169 140 A CA 2.106 54.139 52.037 -0.007 0.000 0.635 140 A CB -0.902 18.066 19.000 -0.054 0.000 0.810 140 A HN 0.536 nan 8.150 nan 0.000 0.446 141 F N 1.153 121.013 119.950 -0.150 0.000 2.104 141 F HA 0.087 4.650 4.527 0.060 0.000 0.288 141 F C -0.816 174.940 175.800 -0.074 0.000 1.107 141 F CA 1.060 58.989 58.000 -0.118 0.000 1.208 141 F CB -0.695 38.244 39.000 -0.102 0.000 1.033 141 F HN 0.117 nan 8.300 nan 0.000 0.478 142 P HA -0.138 nan 4.420 nan 0.000 0.220 142 P C 1.991 179.167 177.300 -0.207 0.000 1.148 142 P CA 1.152 64.116 63.100 -0.225 0.000 0.803 142 P CB -0.269 31.421 31.700 -0.016 0.000 0.782 143 L N 1.719 122.864 121.223 -0.130 0.000 1.976 143 L HA -0.017 4.360 4.340 0.062 0.000 0.209 143 L C -0.852 175.947 176.870 -0.119 0.000 1.071 143 L CA 2.844 57.629 54.840 -0.091 0.000 0.746 143 L CB -2.455 39.581 42.059 -0.039 0.000 0.890 143 L HN -0.014 nan 8.230 nan 0.000 0.432 144 P HA -0.091 nan 4.420 nan 0.000 0.219 144 P C 2.074 179.259 177.300 -0.193 0.000 1.150 144 P CA 1.363 64.389 63.100 -0.124 0.000 0.814 144 P CB -0.094 31.547 31.700 -0.099 0.000 0.787 145 V N 0.533 120.211 119.914 -0.393 0.000 2.255 145 V HA -0.252 3.905 4.120 0.062 0.000 0.247 145 V C 2.596 178.571 176.094 -0.198 0.000 1.051 145 V CA 2.770 64.792 62.300 -0.463 0.000 1.018 145 V CB -1.992 29.313 31.823 -0.863 0.000 0.641 145 V HN 0.176 nan 8.190 nan 0.000 0.445 146 T N 0.390 114.845 114.554 -0.166 0.000 2.684 146 T HA -0.141 4.246 4.350 0.062 0.000 0.267 146 T C 1.850 176.530 174.700 -0.033 0.000 1.036 146 T CA 1.655 63.712 62.100 -0.072 0.000 1.148 146 T CB -0.229 68.600 68.868 -0.064 0.000 0.863 146 T HN 0.212 nan 8.240 nan 0.000 0.436 147 I N 0.951 121.498 120.570 -0.038 0.000 2.202 147 I HA -0.071 4.136 4.170 0.062 0.000 0.242 147 I C 2.548 178.679 176.117 0.023 0.000 1.091 147 I CA 1.031 62.328 61.300 -0.005 0.000 1.368 147 I CB -1.399 36.600 38.000 -0.003 0.000 1.058 147 I HN 0.134 nan 8.210 nan 0.000 0.410 148 V N 1.457 121.388 119.914 0.027 0.000 2.427 148 V HA -0.198 3.959 4.120 0.062 0.000 0.248 148 V C 2.856 179.002 176.094 0.087 0.000 1.051 148 V CA 1.608 63.952 62.300 0.073 0.000 1.048 148 V CB -1.108 30.766 31.823 0.085 0.000 0.666 148 V HN 0.425 nan 8.190 nan 0.000 0.456 149 A N -0.193 122.673 122.820 0.077 0.000 1.877 149 A HA -0.250 4.107 4.320 0.062 0.000 0.216 149 A C 2.196 179.824 177.584 0.075 0.000 1.186 149 A CA 1.945 54.038 52.037 0.094 0.000 0.620 149 A CB -0.469 18.585 19.000 0.090 0.000 0.822 149 A HN 0.609 nan 8.150 nan 0.000 0.443 150 E N -0.821 119.411 120.200 0.052 0.000 2.106 150 E HA -0.153 4.233 4.350 0.062 0.000 0.192 150 E C 1.960 178.588 176.600 0.046 0.000 0.984 150 E CA 1.087 57.512 56.400 0.042 0.000 0.806 150 E CB -0.232 29.483 29.700 0.026 0.000 0.750 150 E HN 0.552 nan 8.360 nan 0.000 0.458 151 L N 0.842 122.099 121.223 0.055 0.000 2.017 151 L HA -0.155 4.222 4.340 0.062 0.000 0.208 151 L C 2.003 178.923 176.870 0.085 0.000 1.073 151 L CA 1.600 56.479 54.840 0.065 0.000 0.745 151 L CB -0.242 41.867 42.059 0.084 0.000 0.894 151 L HN 0.078 nan 8.230 nan 0.000 0.432 152 L N -0.101 121.180 121.223 0.097 0.000 2.362 152 L HA 0.078 4.455 4.340 0.062 0.000 0.219 152 L C 1.521 178.436 176.870 0.075 0.000 1.134 152 L CA 0.746 55.645 54.840 0.098 0.000 0.807 152 L CB -0.760 41.360 42.059 0.101 0.000 0.927 152 L HN 0.650 nan 8.230 nan 0.000 0.447 153 G N 0.180 109.019 108.800 0.065 0.000 2.142 153 G HA2 -0.243 3.754 3.960 0.062 0.000 0.225 153 G HA3 -0.243 3.754 3.960 0.062 0.000 0.225 153 G C -0.002 174.929 174.900 0.052 0.000 1.015 153 G CA -0.267 44.863 45.100 0.050 0.000 0.716 153 G HN 0.193 nan 8.290 nan 0.000 0.508 154 L N 1.202 122.470 121.223 0.074 0.000 2.379 154 L HA 0.555 4.932 4.340 0.062 0.000 0.269 154 L C -0.993 175.931 176.870 0.091 0.000 1.084 154 L CA -2.287 52.612 54.840 0.098 0.000 0.802 154 L CB 0.874 43.027 42.059 0.157 0.000 1.175 154 L HN -0.001 nan 8.230 nan 0.000 0.448 155 P HA 0.189 nan 4.420 nan 0.000 0.272 155 P C -2.607 174.740 177.300 0.077 0.000 1.240 155 P CA -1.082 62.066 63.100 0.081 0.000 0.791 155 P CB -0.510 31.245 31.700 0.091 0.000 0.978 156 P HA 0.202 nan 4.420 nan 0.000 0.268 156 P C -0.277 177.044 177.300 0.035 0.000 1.205 156 P CA 0.316 63.442 63.100 0.043 0.000 0.771 156 P CB 0.216 31.934 31.700 0.030 0.000 0.858 157 M N 1.272 120.896 119.600 0.039 0.000 2.444 157 M HA 0.234 4.751 4.480 0.062 0.000 0.319 157 M C 1.147 177.449 176.300 0.003 0.000 1.183 157 M CA -0.171 55.130 55.300 0.001 0.000 1.032 157 M CB 0.732 33.367 32.600 0.059 0.000 1.569 157 M HN 0.238 nan 8.290 nan 0.000 0.468 158 D N -0.855 119.491 120.400 -0.090 0.000 2.271 158 D HA -0.040 4.637 4.640 0.062 0.000 0.206 158 D C 0.074 176.437 176.300 0.105 0.000 0.967 158 D CA 0.888 54.869 54.000 -0.031 0.000 0.867 158 D CB 0.316 41.059 40.800 -0.096 0.000 0.960 158 D HN 0.411 nan 8.370 nan 0.000 0.509 159 H N 0.860 120.023 119.070 0.155 0.000 2.764 159 H HA 0.434 5.027 4.556 0.062 0.000 0.341 159 H C -0.178 175.329 175.328 0.299 0.000 1.072 159 H CA 0.395 56.576 56.048 0.222 0.000 1.444 159 H CB 0.693 30.637 29.762 0.303 0.000 1.458 159 H HN 0.163 nan 8.280 nan 0.000 0.572 160 E N 2.094 122.524 120.200 0.384 0.000 2.716 160 E HA 0.091 4.478 4.350 0.062 0.000 0.379 160 E C -1.132 175.537 176.600 0.115 0.000 0.969 160 E CA -0.177 56.445 56.400 0.370 0.000 0.735 160 E CB 0.234 30.166 29.700 0.386 0.000 1.498 160 E HN 0.658 nan 8.360 nan 0.000 0.395 161 Q N 3.886 123.630 119.800 -0.094 0.000 2.038 161 Q HA 0.201 4.578 4.340 0.062 0.000 0.240 161 Q C -0.911 174.936 176.000 -0.256 0.000 0.831 161 Q CA -0.554 55.181 55.803 -0.113 0.000 1.068 161 Q CB 0.699 29.403 28.738 -0.058 0.000 1.241 161 Q HN 0.588 nan 8.270 nan 0.000 0.435 162 F N 1.819 121.197 119.950 -0.953 0.000 2.695 162 F HA -0.183 4.380 4.527 0.060 0.000 0.305 162 F C 0.580 175.827 175.800 -0.922 0.000 1.044 162 F CA 1.346 58.499 58.000 -1.412 0.000 1.049 162 F CB -1.438 37.140 39.000 -0.704 0.000 1.267 162 F HN 0.393 nan 8.300 nan 0.000 0.828 163 G N 4.252 112.508 108.800 -0.907 0.000 2.381 163 G HA2 -0.221 3.775 3.960 0.062 0.000 0.281 163 G HA3 -0.221 3.775 3.960 0.062 0.000 0.281 163 G C 0.802 175.478 174.900 -0.372 0.000 0.984 163 G CA 0.768 45.693 45.100 -0.291 0.000 1.339 163 G HN 1.282 nan 8.290 nan 0.000 0.485 164 D N -0.572 119.715 120.400 -0.187 0.000 2.133 164 D HA -0.256 4.421 4.640 0.062 0.000 0.192 164 D C 1.907 178.161 176.300 -0.076 0.000 1.001 164 D CA 2.370 56.295 54.000 -0.125 0.000 0.844 164 D CB -0.467 40.286 40.800 -0.078 0.000 0.944 164 D HN 0.892 nan 8.370 nan 0.000 0.447 165 W N 1.503 122.735 121.300 -0.114 0.000 2.576 165 W HA 0.159 4.858 4.660 0.065 0.000 0.275 165 W C 2.121 178.583 176.519 -0.095 0.000 1.241 165 W CA 1.129 58.408 57.345 -0.110 0.000 1.328 165 W CB -0.787 28.604 29.460 -0.115 0.000 1.092 165 W HN 0.048 nan 8.180 nan 0.000 0.586 166 S N 0.325 115.410 115.700 -1.024 0.000 2.428 166 S HA 0.060 4.567 4.470 0.062 0.000 0.230 166 S C 2.035 176.388 174.600 -0.411 0.000 1.014 166 S CA 1.089 58.832 58.200 -0.762 0.000 0.957 166 S CB -1.227 61.511 63.200 -0.770 0.000 0.784 166 S HN 0.405 nan 8.310 nan 0.000 0.499 167 G N 1.705 110.252 108.800 -0.422 0.000 2.404 167 G HA2 0.102 4.099 3.960 0.062 0.000 0.215 167 G HA3 0.102 4.099 3.960 0.062 0.000 0.215 167 G C 1.701 176.509 174.900 -0.154 0.000 1.174 167 G CA 0.685 45.589 45.100 -0.327 0.000 0.780 167 G HN 0.742 nan 8.290 nan 0.000 0.537 168 A N 0.592 123.347 122.820 -0.109 0.000 1.948 168 A HA -0.013 4.344 4.320 0.062 0.000 0.220 168 A C 2.338 179.913 177.584 -0.016 0.000 1.177 168 A CA 1.465 53.481 52.037 -0.034 0.000 0.636 168 A CB -0.447 18.559 19.000 0.010 0.000 0.815 168 A HN 0.343 nan 8.150 nan 0.000 0.449 169 L N -0.192 121.018 121.223 -0.021 0.000 1.994 169 L HA -0.101 4.276 4.340 0.062 0.000 0.208 169 L C 2.428 179.282 176.870 -0.027 0.000 1.071 169 L CA 1.959 56.799 54.840 0.000 0.000 0.745 169 L CB -0.808 41.261 42.059 0.016 0.000 0.892 169 L HN 0.269 nan 8.230 nan 0.000 0.431 170 V N -0.475 119.399 119.914 -0.067 0.000 3.041 170 V HA -0.166 3.991 4.120 0.062 0.000 0.260 170 V C 1.320 177.413 176.094 -0.002 0.000 1.105 170 V CA 1.387 63.648 62.300 -0.066 0.000 1.125 170 V CB -0.266 31.449 31.823 -0.181 0.000 0.730 170 V HN 0.397 nan 8.190 nan 0.000 0.479 171 D N -0.725 119.678 120.400 0.004 0.000 2.358 171 D HA 0.119 4.796 4.640 0.062 0.000 0.224 171 D C 0.458 176.766 176.300 0.012 0.000 1.123 171 D CA -0.225 53.791 54.000 0.026 0.000 0.833 171 D CB 0.011 40.821 40.800 0.016 0.000 0.946 171 D HN 0.300 nan 8.370 nan 0.000 0.505 172 I N 1.423 121.996 120.570 0.005 0.000 2.815 172 I HA -0.094 4.113 4.170 0.062 0.000 0.291 172 I C 0.467 176.584 176.117 0.000 0.000 1.209 172 I CA 0.370 61.671 61.300 0.002 0.000 1.431 172 I CB 0.676 38.675 38.000 -0.001 0.000 1.351 172 I HN 0.057 nan 8.210 nan 0.000 0.585 173 Q N 8.368 128.167 119.800 -0.001 0.000 2.320 173 Q HA 0.105 4.481 4.340 0.062 0.000 0.262 173 Q C -0.973 175.019 176.000 -0.014 0.000 1.225 173 Q CA 0.427 56.227 55.803 -0.004 0.000 0.916 173 Q CB 0.131 28.868 28.738 -0.002 0.000 1.417 173 Q HN 0.560 nan 8.270 nan 0.000 0.462 174 M N 3.716 123.305 119.600 -0.018 0.000 2.365 174 M HA 0.192 4.709 4.480 0.062 0.000 0.287 174 M C -1.727 174.540 176.300 -0.055 0.000 1.154 174 M CA -0.166 55.109 55.300 -0.041 0.000 0.941 174 M CB 2.087 34.665 32.600 -0.037 0.000 1.704 174 M HN 0.577 nan 8.290 nan 0.000 0.479 175 D N 1.227 121.560 120.400 -0.112 0.000 2.259 175 D HA 0.102 4.779 4.640 0.062 0.000 0.301 175 D C -0.749 175.275 176.300 -0.459 0.000 1.149 175 D CA 0.441 54.334 54.000 -0.178 0.000 1.012 175 D CB 0.664 41.407 40.800 -0.095 0.000 1.797 175 D HN 0.646 nan 8.370 nan 0.000 0.513 176 D N 1.077 121.160 120.400 -0.528 0.000 2.411 176 D HA 0.221 4.898 4.640 0.062 0.000 0.225 176 D C -1.932 174.176 176.300 -0.320 0.000 1.156 176 D CA -1.948 51.606 54.000 -0.744 0.000 0.874 176 D CB 1.907 42.424 40.800 -0.471 0.000 1.034 176 D HN -0.014 nan 8.370 nan 0.000 0.502 177 P HA -0.053 nan 4.420 nan 0.000 0.230 177 P C 1.130 178.388 177.300 -0.070 0.000 1.158 177 P CA 0.844 63.873 63.100 -0.120 0.000 0.769 177 P CB 0.029 31.677 31.700 -0.087 0.000 0.807 178 T N -4.778 109.742 114.554 -0.056 0.000 3.085 178 T HA -0.050 4.337 4.350 0.062 0.000 0.263 178 T C 0.726 175.420 174.700 -0.011 0.000 1.127 178 T CA -0.008 62.086 62.100 -0.009 0.000 1.103 178 T CB -0.865 68.023 68.868 0.035 0.000 0.921 178 T HN -0.074 nan 8.240 nan 0.000 0.510 179 D N 2.969 123.350 120.400 -0.032 0.000 2.363 179 D HA 0.175 4.852 4.640 0.062 0.000 0.263 179 D C -1.468 174.821 176.300 -0.018 0.000 1.258 179 D CA -2.292 51.694 54.000 -0.022 0.000 0.907 179 D CB 1.518 42.294 40.800 -0.039 0.000 1.107 179 D HN 0.083 nan 8.370 nan 0.000 0.495 180 P HA -0.118 nan 4.420 nan 0.000 0.218 180 P C 1.069 178.364 177.300 -0.008 0.000 1.148 180 P CA 1.366 64.461 63.100 -0.007 0.000 0.822 180 P CB 0.133 31.832 31.700 -0.002 0.000 0.784 181 A N 0.101 122.917 122.820 -0.007 0.000 1.884 181 A HA -0.262 4.095 4.320 0.062 0.000 0.219 181 A C 2.182 179.761 177.584 -0.009 0.000 1.197 181 A CA 2.136 54.169 52.037 -0.007 0.000 0.637 181 A CB -1.784 17.212 19.000 -0.006 0.000 0.827 181 A HN 0.230 nan 8.150 nan 0.000 0.450 182 L N -0.336 120.877 121.223 -0.015 0.000 2.054 182 L HA -0.311 4.066 4.340 0.062 0.000 0.220 182 L C 2.655 179.518 176.870 -0.012 0.000 1.081 182 L CA 2.813 57.643 54.840 -0.017 0.000 0.780 182 L CB -0.622 41.420 42.059 -0.028 0.000 0.893 182 L HN 0.432 nan 8.230 nan 0.000 0.438 183 A N -0.956 121.857 122.820 -0.012 0.000 1.917 183 A HA -0.344 4.013 4.320 0.062 0.000 0.219 183 A C 2.333 179.914 177.584 -0.004 0.000 1.182 183 A CA 2.218 54.250 52.037 -0.009 0.000 0.633 183 A CB -0.854 18.140 19.000 -0.011 0.000 0.819 183 A HN 0.721 nan 8.150 nan 0.000 0.448 184 E N -1.062 119.136 120.200 -0.004 0.000 2.072 184 E HA -0.191 4.196 4.350 0.062 0.000 0.190 184 E C 2.218 178.819 176.600 0.001 0.000 0.982 184 E CA 0.575 56.974 56.400 -0.002 0.000 0.803 184 E CB -0.053 29.646 29.700 -0.002 0.000 0.755 184 E HN 0.342 nan 8.360 nan 0.000 0.453 185 R N 0.591 121.091 120.500 0.000 0.000 2.081 185 R HA -0.127 4.250 4.340 0.062 0.000 0.235 185 R C 2.292 178.598 176.300 0.010 0.000 1.131 185 R CA 0.761 56.863 56.100 0.003 0.000 0.960 185 R CB -0.693 29.607 30.300 0.001 0.000 0.856 185 R HN 0.325 nan 8.270 nan 0.000 0.436 186 I N 0.773 121.349 120.570 0.010 0.000 2.127 186 I HA -0.211 3.996 4.170 0.062 0.000 0.241 186 I C 2.432 178.561 176.117 0.020 0.000 1.075 186 I CA 1.475 62.787 61.300 0.020 0.000 1.334 186 I CB -1.632 36.378 38.000 0.017 0.000 1.040 186 I HN 0.060 nan 8.210 nan 0.000 0.405 187 A N 0.318 123.145 122.820 0.010 0.000 1.940 187 A HA -0.293 4.064 4.320 0.062 0.000 0.219 187 A C 2.125 179.710 177.584 0.001 0.000 1.176 187 A CA 2.189 54.229 52.037 0.005 0.000 0.631 187 A CB -0.964 18.037 19.000 0.001 0.000 0.814 187 A HN 0.462 nan 8.150 nan 0.000 0.446 188 D N -0.502 119.900 120.400 0.002 0.000 2.133 188 D HA -0.146 4.531 4.640 0.062 0.000 0.195 188 D C 1.764 178.063 176.300 -0.002 0.000 0.997 188 D CA 1.749 55.749 54.000 -0.000 0.000 0.840 188 D CB -0.078 40.724 40.800 0.003 0.000 0.947 188 D HN 0.178 nan 8.370 nan 0.000 0.452 189 V N 0.090 120.012 119.914 0.014 0.000 2.323 189 V HA -0.154 4.003 4.120 0.062 0.000 0.244 189 V C 2.541 178.618 176.094 -0.029 0.000 1.041 189 V CA 1.202 63.519 62.300 0.028 0.000 1.025 189 V CB -0.392 31.489 31.823 0.097 0.000 0.656 189 V HN 0.300 nan 8.190 nan 0.000 0.451 190 L N -0.146 121.066 121.223 -0.019 0.000 2.240 190 L HA -0.039 4.338 4.340 0.062 0.000 0.211 190 L C 2.363 179.180 176.870 -0.088 0.000 1.106 190 L CA 0.776 55.579 54.840 -0.061 0.000 0.793 190 L CB -0.624 41.435 42.059 0.000 0.000 0.927 190 L HN 0.338 nan 8.230 nan 0.000 0.446 191 N N 0.242 118.910 118.700 -0.054 0.000 2.104 191 N HA -0.146 4.631 4.740 0.062 0.000 0.190 191 N C -0.807 174.670 175.510 -0.054 0.000 1.024 191 N CA 1.550 54.574 53.050 -0.042 0.000 0.853 191 N CB -1.293 37.179 38.487 -0.024 0.000 1.008 191 N HN 0.263 nan 8.380 nan 0.000 0.424 192 P HA -0.090 nan 4.420 nan 0.000 0.217 192 P C 1.708 178.948 177.300 -0.100 0.000 1.150 192 P CA 0.779 63.834 63.100 -0.075 0.000 0.832 192 P CB 0.117 31.765 31.700 -0.088 0.000 0.787 193 L N -0.224 120.871 121.223 -0.213 0.000 2.044 193 L HA -0.063 4.314 4.340 0.062 0.000 0.205 193 L C 2.292 179.107 176.870 -0.091 0.000 1.075 193 L CA 2.063 56.739 54.840 -0.273 0.000 0.747 193 L CB -1.504 40.193 42.059 -0.603 0.000 0.903 193 L HN -0.087 nan 8.230 nan 0.000 0.435 194 T N -0.299 114.207 114.554 -0.079 0.000 2.803 194 T HA -0.182 4.205 4.350 0.062 0.000 0.269 194 T C 1.843 176.541 174.700 -0.003 0.000 1.052 194 T CA 1.215 63.300 62.100 -0.026 0.000 1.136 194 T CB -0.452 68.405 68.868 -0.018 0.000 0.864 194 T HN 0.497 nan 8.240 nan 0.000 0.467 195 A N 0.609 123.430 122.820 0.002 0.000 1.872 195 A HA -0.016 4.341 4.320 0.062 0.000 0.214 195 A C 2.065 179.663 177.584 0.023 0.000 1.187 195 A CA 1.251 53.293 52.037 0.010 0.000 0.614 195 A CB -1.064 17.943 19.000 0.011 0.000 0.826 195 A HN 0.565 nan 8.150 nan 0.000 0.442 196 Y N 0.440 120.700 120.300 -0.067 0.000 2.193 196 Y HA -0.202 4.385 4.550 0.062 0.000 0.285 196 Y C 1.803 177.675 175.900 -0.048 0.000 1.166 196 Y CA 2.029 60.093 58.100 -0.061 0.000 1.181 196 Y CB -0.240 38.169 38.460 -0.085 0.000 0.976 196 Y HN 0.216 nan 8.280 nan 0.000 0.520 197 L N 0.043 121.240 121.223 -0.043 0.000 2.179 197 L HA -0.111 4.266 4.340 0.062 0.000 0.208 197 L C 2.601 179.405 176.870 -0.109 0.000 1.096 197 L CA 1.145 55.925 54.840 -0.101 0.000 0.779 197 L CB -0.470 41.597 42.059 0.013 0.000 0.922 197 L HN 0.072 nan 8.230 nan 0.000 0.443 198 K N 0.404 120.762 120.400 -0.070 0.000 2.103 198 K HA -0.203 4.153 4.320 0.062 0.000 0.207 198 K C 2.085 178.634 176.600 -0.085 0.000 1.048 198 K CA 1.406 57.660 56.287 -0.054 0.000 0.930 198 K CB -0.047 32.435 32.500 -0.030 0.000 0.716 198 K HN 0.303 nan 8.250 nan 0.000 0.444 199 A N 1.427 124.168 122.820 -0.133 0.000 1.930 199 A HA -0.112 4.244 4.320 0.062 0.000 0.217 199 A C 2.019 179.496 177.584 -0.179 0.000 1.175 199 A CA 0.939 52.888 52.037 -0.148 0.000 0.627 199 A CB -0.306 18.596 19.000 -0.164 0.000 0.815 199 A HN 0.196 nan 8.150 nan 0.000 0.443 200 R N -0.322 120.019 120.500 -0.266 0.000 2.081 200 R HA -0.116 4.261 4.340 0.062 0.000 0.235 200 R C 2.231 178.467 176.300 -0.107 0.000 1.131 200 R CA 1.517 57.489 56.100 -0.214 0.000 0.960 200 R CB -1.593 28.545 30.300 -0.269 0.000 0.856 200 R HN 0.612 nan 8.270 nan 0.000 0.436 201 C N 0.507 119.760 119.300 -0.080 0.000 2.413 201 C HA -0.078 4.419 4.460 0.062 0.000 0.277 201 C C 2.891 177.861 174.990 -0.032 0.000 1.265 201 C CA 0.791 59.788 59.018 -0.035 0.000 1.752 201 C CB -1.145 26.586 27.740 -0.015 0.000 1.998 201 C HN 0.553 nan 8.230 nan 0.000 0.489 202 A N 0.254 123.047 122.820 -0.044 0.000 1.969 202 A HA -0.171 4.186 4.320 0.062 0.000 0.218 202 A C 2.000 179.564 177.584 -0.033 0.000 1.169 202 A CA 1.520 53.537 52.037 -0.034 0.000 0.635 202 A CB -0.487 18.491 19.000 -0.036 0.000 0.810 202 A HN 0.706 nan 8.150 nan 0.000 0.445 203 E N -0.669 119.504 120.200 -0.045 0.000 2.106 203 E HA -0.149 4.238 4.350 0.062 0.000 0.192 203 E C 2.243 178.828 176.600 -0.025 0.000 0.984 203 E CA 0.759 57.136 56.400 -0.038 0.000 0.806 203 E CB -0.060 29.609 29.700 -0.050 0.000 0.750 203 E HN 0.287 nan 8.360 nan 0.000 0.458 204 R N 0.496 120.982 120.500 -0.023 0.000 2.090 204 R HA -0.034 4.343 4.340 0.062 0.000 0.228 204 R C 2.160 178.456 176.300 -0.006 0.000 1.110 204 R CA 0.790 56.884 56.100 -0.010 0.000 0.973 204 R CB -0.563 29.736 30.300 -0.002 0.000 0.869 204 R HN 0.136 nan 8.270 nan 0.000 0.440 205 R N 0.589 121.085 120.500 -0.008 0.000 2.105 205 R HA -0.103 4.274 4.340 0.062 0.000 0.239 205 R C 2.011 178.307 176.300 -0.006 0.000 1.135 205 R CA 1.580 57.676 56.100 -0.006 0.000 0.967 205 R CB -0.173 30.122 30.300 -0.007 0.000 0.861 205 R HN 0.210 nan 8.270 nan 0.000 0.442 206 A N -0.088 122.727 122.820 -0.009 0.000 1.902 206 A HA -0.132 4.224 4.320 0.062 0.000 0.217 206 A C 0.633 178.214 177.584 -0.006 0.000 1.181 206 A CA 1.579 53.611 52.037 -0.008 0.000 0.623 206 A CB 0.062 19.055 19.000 -0.011 0.000 0.818 206 A HN 0.383 nan 8.150 nan 0.000 0.443 207 D N -1.155 119.241 120.400 -0.005 0.000 2.472 207 D HA 0.376 5.053 4.640 0.062 0.000 0.248 207 D C -3.118 173.182 176.300 -0.000 0.000 1.271 207 D CA -1.638 52.360 54.000 -0.003 0.000 0.888 207 D CB 0.854 41.652 40.800 -0.003 0.000 1.337 207 D HN 0.009 nan 8.370 nan 0.000 0.526 208 P HA 0.361 nan 4.420 nan 0.000 0.271 208 P C 0.349 177.653 177.300 0.007 0.000 1.216 208 P CA -0.241 62.862 63.100 0.005 0.000 0.771 208 P CB 1.518 33.221 31.700 0.006 0.000 0.864 209 G N 1.001 109.807 108.800 0.010 0.000 2.782 209 G HA2 0.164 4.160 3.960 0.062 0.000 0.201 209 G HA3 0.164 4.160 3.960 0.062 0.000 0.201 209 G C -0.155 174.754 174.900 0.014 0.000 1.374 209 G CA -0.193 44.914 45.100 0.011 0.000 1.039 209 G HN 0.400 nan 8.290 nan 0.000 0.576 210 D N -0.431 119.978 120.400 0.015 0.000 2.398 210 D HA 0.084 4.761 4.640 0.062 0.000 0.210 210 D C 0.542 176.856 176.300 0.024 0.000 1.094 210 D CA -0.271 53.739 54.000 0.016 0.000 0.839 210 D CB -0.034 40.772 40.800 0.010 0.000 0.963 210 D HN 0.422 nan 8.370 nan 0.000 0.506 211 D N -0.043 120.374 120.400 0.028 0.000 2.362 211 D HA -0.123 4.554 4.640 0.062 0.000 0.238 211 D C 1.433 177.768 176.300 0.059 0.000 1.212 211 D CA -0.451 53.573 54.000 0.040 0.000 0.902 211 D CB 1.391 42.215 40.800 0.039 0.000 1.180 211 D HN 0.006 nan 8.370 nan 0.000 0.445 212 L N 1.032 122.305 121.223 0.084 0.000 2.141 212 L HA -0.073 4.304 4.340 0.062 0.000 0.209 212 L C 2.246 179.191 176.870 0.125 0.000 1.094 212 L CA 1.144 56.060 54.840 0.127 0.000 0.763 212 L CB -0.439 41.738 42.059 0.197 0.000 0.908 212 L HN 0.550 nan 8.230 nan 0.000 0.437 213 I N -1.384 119.244 120.570 0.097 0.000 2.286 213 I HA -0.287 3.920 4.170 0.062 0.000 0.248 213 I C 2.280 178.433 176.117 0.060 0.000 1.115 213 I CA 1.253 62.600 61.300 0.079 0.000 1.392 213 I CB -0.281 37.750 38.000 0.051 0.000 1.065 213 I HN 0.200 nan 8.210 nan 0.000 0.418 214 S N 0.344 116.073 115.700 0.048 0.000 2.383 214 S HA -0.107 4.400 4.470 0.062 0.000 0.227 214 S C 2.023 176.646 174.600 0.039 0.000 1.026 214 S CA 1.022 59.242 58.200 0.034 0.000 0.981 214 S CB -0.188 63.029 63.200 0.027 0.000 0.818 214 S HN 0.382 nan 8.310 nan 0.000 0.472 215 R N 0.765 121.298 120.500 0.054 0.000 2.075 215 R HA 0.052 4.429 4.340 0.062 0.000 0.232 215 R C 2.207 178.542 176.300 0.059 0.000 1.126 215 R CA 0.984 57.118 56.100 0.056 0.000 0.963 215 R CB -0.511 29.833 30.300 0.073 0.000 0.858 215 R HN 0.346 nan 8.270 nan 0.000 0.435 216 L N 0.144 121.416 121.223 0.081 0.000 2.017 216 L HA -0.166 4.211 4.340 0.062 0.000 0.208 216 L C 2.369 179.263 176.870 0.039 0.000 1.073 216 L CA 1.054 55.939 54.840 0.076 0.000 0.745 216 L CB -0.431 41.707 42.059 0.131 0.000 0.894 216 L HN 0.039 nan 8.230 nan 0.000 0.432 217 V N -0.052 119.885 119.914 0.037 0.000 2.515 217 V HA -0.243 3.914 4.120 0.062 0.000 0.250 217 V C 2.194 178.294 176.094 0.010 0.000 1.058 217 V CA 1.385 63.697 62.300 0.020 0.000 1.064 217 V CB -0.187 31.647 31.823 0.017 0.000 0.675 217 V HN 0.369 nan 8.190 nan 0.000 0.461 218 L N -0.213 121.017 121.223 0.013 0.000 2.446 218 L HA 0.265 4.642 4.340 0.062 0.000 0.219 218 L C 1.448 178.319 176.870 0.002 0.000 1.116 218 L CA 0.080 54.924 54.840 0.007 0.000 0.844 218 L CB -0.344 41.720 42.059 0.009 0.000 0.970 218 L HN 0.313 nan 8.230 nan 0.000 0.457 219 A N 1.242 124.064 122.820 0.003 0.000 2.540 219 A HA 0.095 4.451 4.320 0.062 0.000 0.239 219 A C 0.131 177.704 177.584 -0.017 0.000 1.061 219 A CA 0.591 52.624 52.037 -0.006 0.000 0.758 219 A CB 0.054 19.047 19.000 -0.010 0.000 0.991 219 A HN 0.357 nan 8.150 nan 0.000 0.502 220 E N 1.592 121.780 120.200 -0.019 0.000 2.307 220 E HA 0.504 4.891 4.350 0.062 0.000 0.280 220 E C -1.919 174.665 176.600 -0.026 0.000 0.900 220 E CA -0.424 55.962 56.400 -0.024 0.000 0.790 220 E CB 1.807 31.496 29.700 -0.018 0.000 1.261 220 E HN 0.450 nan 8.360 nan 0.000 0.405 221 V N 3.720 123.613 119.914 -0.034 0.000 2.531 221 V HA 0.243 4.400 4.120 0.062 0.000 0.301 221 V C -0.699 175.375 176.094 -0.034 0.000 1.034 221 V CA -0.914 61.365 62.300 -0.034 0.000 0.865 221 V CB 1.754 33.551 31.823 -0.043 0.000 0.995 221 V HN 0.884 nan 8.190 nan 0.000 0.424 222 D N 3.927 124.310 120.400 -0.028 0.000 2.704 222 D HA -0.194 4.483 4.640 0.062 0.000 0.232 222 D C 1.368 177.653 176.300 -0.025 0.000 1.183 222 D CA 1.731 55.716 54.000 -0.025 0.000 0.647 222 D CB -1.229 39.555 40.800 -0.027 0.000 1.013 222 D HN 1.517 nan 8.370 nan 0.000 0.415 223 G N -0.699 108.087 108.800 -0.023 0.000 2.212 223 G HA2 -0.415 3.582 3.960 0.062 0.000 0.266 223 G HA3 -0.415 3.582 3.960 0.062 0.000 0.266 223 G C 0.438 175.324 174.900 -0.024 0.000 0.978 223 G CA 0.510 45.597 45.100 -0.021 0.000 0.632 223 G HN 0.668 nan 8.290 nan 0.000 0.537 224 R N 1.108 121.589 120.500 -0.030 0.000 2.202 224 R HA 0.745 5.122 4.340 0.062 0.000 0.334 224 R C 0.133 176.410 176.300 -0.038 0.000 1.036 224 R CA 0.437 56.516 56.100 -0.036 0.000 0.878 224 R CB 0.449 30.722 30.300 -0.045 0.000 1.067 224 R HN 0.929 nan 8.270 nan 0.000 0.457 225 A N 4.788 127.588 122.820 -0.033 0.000 2.413 225 A HA 0.580 4.937 4.320 0.062 0.000 0.307 225 A C -1.095 176.469 177.584 -0.033 0.000 1.087 225 A CA -0.886 51.132 52.037 -0.031 0.000 0.750 225 A CB 1.185 20.172 19.000 -0.021 0.000 1.296 225 A HN 0.666 nan 8.150 nan 0.000 0.423 226 L N 2.209 123.413 121.223 -0.032 0.000 2.319 226 L HA 0.273 4.650 4.340 0.062 0.000 0.280 226 L C 0.033 176.896 176.870 -0.010 0.000 1.099 226 L CA -0.690 54.135 54.840 -0.026 0.000 0.828 226 L CB 0.782 42.826 42.059 -0.026 0.000 1.150 226 L HN 0.927 nan 8.230 nan 0.000 0.442 227 D N 0.726 121.121 120.400 -0.007 0.000 2.398 227 D HA -0.005 4.672 4.640 0.062 0.000 0.247 227 D C 0.434 176.737 176.300 0.005 0.000 1.227 227 D CA -0.498 53.501 54.000 -0.002 0.000 0.980 227 D CB 0.738 41.536 40.800 -0.003 0.000 1.106 227 D HN 0.336 nan 8.370 nan 0.000 0.493 228 D N -0.901 119.501 120.400 0.003 0.000 2.219 228 D HA -0.138 4.539 4.640 0.062 0.000 0.205 228 D C 1.548 177.855 176.300 0.011 0.000 0.970 228 D CA 0.794 54.797 54.000 0.005 0.000 0.851 228 D CB -0.084 40.713 40.800 -0.004 0.000 0.943 228 D HN 0.671 nan 8.370 nan 0.000 0.488 229 E N 0.841 121.047 120.200 0.010 0.000 2.033 229 E HA -0.221 4.166 4.350 0.062 0.000 0.199 229 E C 1.767 178.386 176.600 0.031 0.000 1.011 229 E CA 1.293 57.702 56.400 0.015 0.000 0.815 229 E CB 0.155 29.861 29.700 0.010 0.000 0.755 229 E HN 0.292 nan 8.360 nan 0.000 0.451 230 E N -0.313 119.906 120.200 0.031 0.000 2.072 230 E HA -0.152 4.235 4.350 0.062 0.000 0.191 230 E C 1.997 178.649 176.600 0.087 0.000 0.985 230 E CA 0.786 57.214 56.400 0.047 0.000 0.801 230 E CB -0.109 29.600 29.700 0.015 0.000 0.750 230 E HN 0.339 nan 8.360 nan 0.000 0.452 231 A N 1.440 124.302 122.820 0.070 0.000 1.902 231 A HA -0.118 4.239 4.320 0.062 0.000 0.217 231 A C 2.364 180.018 177.584 0.118 0.000 1.181 231 A CA 1.683 53.784 52.037 0.106 0.000 0.623 231 A CB -0.630 18.410 19.000 0.066 0.000 0.818 231 A HN 0.294 nan 8.150 nan 0.000 0.443 232 A N 0.244 123.105 122.820 0.068 0.000 1.877 232 A HA -0.193 4.164 4.320 0.062 0.000 0.216 232 A C 1.977 179.597 177.584 0.060 0.000 1.186 232 A CA 1.764 53.829 52.037 0.047 0.000 0.620 232 A CB -0.668 18.342 19.000 0.017 0.000 0.822 232 A HN 0.525 nan 8.150 nan 0.000 0.443 233 N N -0.830 117.916 118.700 0.076 0.000 2.036 233 N HA -0.178 4.599 4.740 0.062 0.000 0.195 233 N C 1.463 177.049 175.510 0.128 0.000 1.037 233 N CA 1.779 54.882 53.050 0.090 0.000 0.855 233 N CB -0.654 37.890 38.487 0.095 0.000 1.033 233 N HN 0.524 nan 8.380 nan 0.000 0.423 234 F N 1.799 121.761 119.950 0.020 0.000 2.186 234 F HA -0.045 4.519 4.527 0.062 0.000 0.299 234 F C 2.300 178.106 175.800 0.009 0.000 1.090 234 F CA 0.927 58.936 58.000 0.015 0.000 1.307 234 F CB -0.266 38.733 39.000 -0.000 0.000 1.019 234 F HN -0.079 nan 8.300 nan 0.000 0.489 235 S N -0.564 115.128 115.700 -0.014 0.000 2.399 235 S HA -0.170 4.337 4.470 0.062 0.000 0.231 235 S C 1.942 176.486 174.600 -0.093 0.000 1.022 235 S CA 1.582 59.727 58.200 -0.091 0.000 0.983 235 S CB -0.616 62.600 63.200 0.027 0.000 0.803 235 S HN 0.459 nan 8.310 nan 0.000 0.480 236 T N 2.477 117.003 114.554 -0.047 0.000 2.701 236 T HA -0.027 4.360 4.350 0.062 0.000 0.263 236 T C 2.243 176.928 174.700 -0.024 0.000 1.040 236 T CA 1.221 63.312 62.100 -0.015 0.000 1.147 236 T CB -0.585 68.280 68.868 -0.005 0.000 0.865 236 T HN 0.465 nan 8.240 nan 0.000 0.426 237 A N 1.674 124.442 122.820 -0.086 0.000 1.884 237 A HA -0.115 4.241 4.320 0.062 0.000 0.219 237 A C 2.197 179.662 177.584 -0.198 0.000 1.197 237 A CA 1.470 53.424 52.037 -0.138 0.000 0.637 237 A CB -1.007 17.897 19.000 -0.159 0.000 0.827 237 A HN 0.343 nan 8.150 nan 0.000 0.450 238 L N -1.203 119.806 121.223 -0.357 0.000 2.043 238 L HA -0.175 4.202 4.340 0.062 0.000 0.212 238 L C 2.442 179.287 176.870 -0.042 0.000 1.075 238 L CA 1.716 56.386 54.840 -0.284 0.000 0.752 238 L CB -1.268 40.562 42.059 -0.381 0.000 0.891 238 L HN 0.435 nan 8.230 nan 0.000 0.432 239 L N -1.023 120.223 121.223 0.039 0.000 2.017 239 L HA -0.185 4.192 4.340 0.062 0.000 0.208 239 L C 2.418 179.478 176.870 0.316 0.000 1.073 239 L CA 1.482 56.454 54.840 0.220 0.000 0.745 239 L CB -0.772 41.431 42.059 0.241 0.000 0.894 239 L HN 0.235 nan 8.230 nan 0.000 0.432 240 L N -0.843 120.514 121.223 0.223 0.000 1.990 240 L HA -0.257 4.120 4.340 0.062 0.000 0.213 240 L C 2.489 179.438 176.870 0.131 0.000 1.072 240 L CA 1.824 56.767 54.840 0.172 0.000 0.755 240 L CB -0.535 41.604 42.059 0.134 0.000 0.889 240 L HN 0.345 nan 8.230 nan 0.000 0.432 241 A N 0.009 122.872 122.820 0.073 0.000 1.892 241 A HA -0.231 4.126 4.320 0.062 0.000 0.218 241 A C 2.239 179.897 177.584 0.123 0.000 1.188 241 A CA 1.932 54.017 52.037 0.080 0.000 0.631 241 A CB -1.591 17.414 19.000 0.009 0.000 0.822 241 A HN 0.594 nan 8.150 nan 0.000 0.447 242 G N -2.583 106.296 108.800 0.132 0.000 2.559 242 G HA2 -0.125 3.872 3.960 0.062 0.000 0.216 242 G HA3 -0.125 3.872 3.960 0.062 0.000 0.216 242 G C 1.280 176.212 174.900 0.054 0.000 1.126 242 G CA 0.831 45.992 45.100 0.101 0.000 0.778 242 G HN 0.783 nan 8.290 nan 0.000 0.543 243 H N -1.115 117.961 119.070 0.011 0.000 2.563 243 H HA 0.237 4.829 4.556 0.061 0.000 0.264 243 H C 1.432 176.858 175.328 0.164 0.000 0.957 243 H CA 0.032 56.087 56.048 0.012 0.000 1.173 243 H CB 0.788 30.456 29.762 -0.157 0.000 1.420 243 H HN 0.249 nan 8.280 nan 0.000 0.551 244 I N 0.027 120.726 120.570 0.215 0.000 4.046 244 I HA -0.113 4.094 4.170 0.062 0.000 0.285 244 I C 2.490 178.668 176.117 0.102 0.000 1.183 244 I CA 0.867 62.280 61.300 0.187 0.000 1.337 244 I CB -0.360 37.704 38.000 0.107 0.000 1.478 244 I HN 0.150 nan 8.210 nan 0.000 0.452 245 T N -1.689 112.927 114.554 0.104 0.000 2.639 245 T HA -0.142 4.245 4.350 0.062 0.000 0.261 245 T C 1.851 176.563 174.700 0.020 0.000 1.053 245 T CA 2.241 64.374 62.100 0.056 0.000 1.158 245 T CB -1.051 67.922 68.868 0.175 0.000 0.863 245 T HN 0.100 nan 8.240 nan 0.000 0.413 246 T N 1.966 116.551 114.554 0.052 0.000 2.788 246 T HA -0.088 4.299 4.350 0.062 0.000 0.268 246 T C 2.223 176.927 174.700 0.006 0.000 1.044 246 T CA 1.830 63.950 62.100 0.033 0.000 1.139 246 T CB -1.005 67.884 68.868 0.035 0.000 0.867 246 T HN 0.616 nan 8.240 nan 0.000 0.454 247 T N 1.602 116.165 114.554 0.015 0.000 2.720 247 T HA -0.097 4.290 4.350 0.062 0.000 0.268 247 T C 2.095 176.762 174.700 -0.055 0.000 1.037 247 T CA 1.104 63.187 62.100 -0.028 0.000 1.144 247 T CB -0.501 68.400 68.868 0.056 0.000 0.864 247 T HN 0.214 nan 8.240 nan 0.000 0.444 248 V N 1.021 120.920 119.914 -0.025 0.000 2.346 248 V HA 0.001 4.158 4.120 0.062 0.000 0.244 248 V C 2.339 178.397 176.094 -0.060 0.000 1.037 248 V CA 0.930 63.203 62.300 -0.046 0.000 1.029 248 V CB -0.640 31.089 31.823 -0.157 0.000 0.663 248 V HN 0.283 nan 8.190 nan 0.000 0.454 249 L N -0.042 121.142 121.223 -0.066 0.000 2.017 249 L HA -0.122 4.255 4.340 0.062 0.000 0.208 249 L C 2.175 179.033 176.870 -0.021 0.000 1.073 249 L CA 1.936 56.748 54.840 -0.047 0.000 0.745 249 L CB -0.747 41.296 42.059 -0.026 0.000 0.894 249 L HN 0.283 nan 8.230 nan 0.000 0.432 250 L N -0.258 120.960 121.223 -0.008 0.000 2.093 250 L HA 0.046 4.423 4.340 0.062 0.000 0.208 250 L C 2.318 179.191 176.870 0.004 0.000 1.085 250 L CA 1.889 56.735 54.840 0.010 0.000 0.755 250 L CB -1.361 40.712 42.059 0.024 0.000 0.904 250 L HN 0.315 nan 8.230 nan 0.000 0.435 251 G N -0.739 108.049 108.800 -0.022 0.000 2.418 251 G HA2 -0.306 3.691 3.960 0.062 0.000 0.217 251 G HA3 -0.306 3.691 3.960 0.062 0.000 0.217 251 G C 1.426 176.310 174.900 -0.026 0.000 1.158 251 G CA 0.831 45.912 45.100 -0.033 0.000 0.771 251 G HN 0.441 nan 8.290 nan 0.000 0.545 252 N N 0.634 119.319 118.700 -0.025 0.000 2.142 252 N HA -0.020 4.756 4.740 0.062 0.000 0.186 252 N C 2.206 177.689 175.510 -0.045 0.000 1.023 252 N CA 0.616 53.653 53.050 -0.021 0.000 0.852 252 N CB -0.282 38.197 38.487 -0.013 0.000 0.998 252 N HN 0.358 nan 8.380 nan 0.000 0.424 253 I N 0.347 120.889 120.570 -0.045 0.000 2.127 253 I HA -0.261 3.946 4.170 0.062 0.000 0.241 253 I C 2.025 178.084 176.117 -0.096 0.000 1.075 253 I CA 0.969 62.220 61.300 -0.082 0.000 1.334 253 I CB -0.311 37.664 38.000 -0.041 0.000 1.040 253 I HN -0.071 nan 8.210 nan 0.000 0.405 254 V N 0.464 120.380 119.914 0.003 0.000 2.295 254 V HA -0.277 3.880 4.120 0.062 0.000 0.246 254 V C 2.563 178.697 176.094 0.066 0.000 1.049 254 V CA 1.749 64.114 62.300 0.108 0.000 1.024 254 V CB -0.797 31.127 31.823 0.168 0.000 0.648 254 V HN 0.347 nan 8.190 nan 0.000 0.447 255 R N -0.109 120.393 120.500 0.004 0.000 2.112 255 R HA -0.202 4.175 4.340 0.062 0.000 0.242 255 R C 2.416 178.684 176.300 -0.053 0.000 1.137 255 R CA 2.312 58.404 56.100 -0.013 0.000 0.944 255 R CB -0.787 29.504 30.300 -0.016 0.000 0.857 255 R HN 0.565 nan 8.270 nan 0.000 0.435 256 T N 1.464 115.932 114.554 -0.142 0.000 2.737 256 T HA -0.067 4.320 4.350 0.062 0.000 0.265 256 T C 1.929 176.426 174.700 -0.337 0.000 1.038 256 T CA 0.912 62.832 62.100 -0.300 0.000 1.144 256 T CB -0.167 68.363 68.868 -0.564 0.000 0.866 256 T HN 0.141 nan 8.240 nan 0.000 0.434 257 L N 0.985 121.989 121.223 -0.365 0.000 2.079 257 L HA -0.144 4.233 4.340 0.062 0.000 0.210 257 L C 2.511 179.338 176.870 -0.072 0.000 1.081 257 L CA 1.334 55.928 54.840 -0.410 0.000 0.752 257 L CB -0.528 40.970 42.059 -0.935 0.000 0.896 257 L HN 0.232 nan 8.230 nan 0.000 0.433 258 D N -0.025 120.446 120.400 0.118 0.000 2.263 258 D HA -0.187 4.490 4.640 0.062 0.000 0.208 258 D C 1.965 178.290 176.300 0.041 0.000 0.971 258 D CA 1.060 55.180 54.000 0.200 0.000 0.867 258 D CB 0.211 41.095 40.800 0.140 0.000 0.929 258 D HN 0.341 nan 8.370 nan 0.000 0.492 259 E N -1.340 118.811 120.200 -0.082 0.000 2.318 259 E HA -0.005 4.382 4.350 0.062 0.000 0.193 259 E C 0.174 176.456 176.600 -0.530 0.000 0.998 259 E CA 0.484 56.711 56.400 -0.288 0.000 0.859 259 E CB 0.275 29.761 29.700 -0.358 0.000 0.812 259 E HN 0.468 nan 8.360 nan 0.000 0.492 260 H N 0.139 119.201 119.070 -0.014 0.000 2.348 260 H HA 0.142 4.718 4.556 0.034 0.000 0.232 260 H C -2.025 173.372 175.328 0.114 0.000 1.419 260 H CA -1.652 54.453 56.048 0.095 0.000 1.416 260 H CB 0.886 30.794 29.762 0.243 0.000 1.510 260 H HN 0.117 nan 8.280 nan 0.000 0.507 261 P HA -0.031 nan 4.420 nan 0.000 0.233 261 P C 1.546 178.991 177.300 0.243 0.000 1.167 261 P CA 0.520 63.796 63.100 0.293 0.000 0.770 261 P CB 0.250 32.124 31.700 0.291 0.000 0.837 262 A N 0.065 122.937 122.820 0.087 0.000 2.084 262 A HA -0.220 4.137 4.320 0.062 0.000 0.221 262 A C 2.014 179.560 177.584 -0.063 0.000 1.161 262 A CA 1.318 53.342 52.037 -0.022 0.000 0.653 262 A CB -1.533 17.381 19.000 -0.143 0.000 0.802 262 A HN 0.263 nan 8.150 nan 0.000 0.457 263 H N -2.766 116.344 119.070 0.066 0.000 2.502 263 H HA -0.087 4.504 4.556 0.058 0.000 0.283 263 H C 1.820 177.148 175.328 -0.001 0.000 1.015 263 H CA 0.824 56.871 56.048 -0.002 0.000 1.298 263 H CB -0.206 29.529 29.762 -0.045 0.000 1.411 263 H HN 0.800 nan 8.280 nan 0.000 0.556 264 W N 1.958 123.354 121.300 0.159 0.000 2.318 264 W HA -0.171 4.527 4.660 0.062 0.000 0.313 264 W C 2.127 178.695 176.519 0.080 0.000 1.221 264 W CA 0.946 58.355 57.345 0.107 0.000 1.266 264 W CB -0.082 29.425 29.460 0.079 0.000 1.150 264 W HN 0.171 nan 8.180 nan 0.000 0.496 265 D N -0.270 120.305 120.400 0.292 0.000 2.149 265 D HA -0.107 4.570 4.640 0.062 0.000 0.201 265 D C 2.178 178.553 176.300 0.124 0.000 0.972 265 D CA 1.526 55.629 54.000 0.172 0.000 0.835 265 D CB -0.546 40.323 40.800 0.115 0.000 0.966 265 D HN 0.172 nan 8.370 nan 0.000 0.476 266 A N 1.405 124.288 122.820 0.106 0.000 1.930 266 A HA 0.000 4.357 4.320 0.062 0.000 0.217 266 A C 2.314 179.955 177.584 0.094 0.000 1.175 266 A CA 1.809 53.894 52.037 0.079 0.000 0.627 266 A CB -0.403 18.635 19.000 0.063 0.000 0.815 266 A HN 0.241 nan 8.150 nan 0.000 0.443 267 A N -0.485 122.409 122.820 0.122 0.000 2.016 267 A HA 0.363 4.720 4.320 0.062 0.000 0.217 267 A C 2.392 180.047 177.584 0.118 0.000 1.162 267 A CA 1.448 53.551 52.037 0.110 0.000 0.662 267 A CB -0.743 18.321 19.000 0.107 0.000 0.812 267 A HN 0.899 nan 8.150 nan 0.000 0.450 268 A N 0.063 122.970 122.820 0.144 0.000 1.877 268 A HA -0.157 4.199 4.320 0.062 0.000 0.216 268 A C 1.934 179.568 177.584 0.082 0.000 1.186 268 A CA 1.740 53.849 52.037 0.121 0.000 0.620 268 A CB -0.393 18.685 19.000 0.130 0.000 0.822 268 A HN 0.403 nan 8.150 nan 0.000 0.443 269 E N -0.240 120.004 120.200 0.074 0.000 2.106 269 E HA -0.095 4.292 4.350 0.062 0.000 0.192 269 E C -0.152 176.476 176.600 0.046 0.000 0.984 269 E CA 1.039 57.471 56.400 0.053 0.000 0.806 269 E CB -0.092 29.636 29.700 0.047 0.000 0.750 269 E HN 0.537 nan 8.360 nan 0.000 0.458 270 D N -0.918 119.513 120.400 0.052 0.000 2.405 270 D HA 0.173 4.850 4.640 0.062 0.000 0.264 270 D C -2.242 174.087 176.300 0.048 0.000 1.240 270 D CA -2.210 51.816 54.000 0.043 0.000 0.893 270 D CB 1.180 42.001 40.800 0.036 0.000 1.198 270 D HN -0.244 nan 8.370 nan 0.000 0.514 271 P HA -0.006 nan 4.420 nan 0.000 0.226 271 P C 1.351 178.676 177.300 0.041 0.000 1.146 271 P CA 0.689 63.819 63.100 0.051 0.000 0.773 271 P CB 0.351 32.080 31.700 0.049 0.000 0.772 272 G N -0.291 108.529 108.800 0.033 0.000 2.534 272 G HA2 -0.202 3.795 3.960 0.062 0.000 0.217 272 G HA3 -0.202 3.795 3.960 0.062 0.000 0.217 272 G C 1.518 176.432 174.900 0.024 0.000 1.128 272 G CA 0.079 45.196 45.100 0.027 0.000 0.784 272 G HN 0.256 nan 8.290 nan 0.000 0.542 273 R N -0.317 120.199 120.500 0.026 0.000 2.237 273 R HA 0.161 4.537 4.340 0.062 0.000 0.219 273 R C 2.220 178.526 176.300 0.010 0.000 1.080 273 R CA 0.217 56.327 56.100 0.017 0.000 0.995 273 R CB -0.223 30.094 30.300 0.028 0.000 0.875 273 R HN 0.387 nan 8.270 nan 0.000 0.462 274 I N 1.080 121.664 120.570 0.023 0.000 2.127 274 I HA -0.226 3.981 4.170 0.062 0.000 0.241 274 I C -0.832 175.295 176.117 0.017 0.000 1.075 274 I CA 1.405 62.718 61.300 0.021 0.000 1.334 274 I CB -1.004 37.020 38.000 0.040 0.000 1.040 274 I HN 0.047 nan 8.210 nan 0.000 0.405 275 P HA -0.245 nan 4.420 nan 0.000 0.216 275 P C 1.402 178.716 177.300 0.023 0.000 1.154 275 P CA 2.073 65.194 63.100 0.035 0.000 0.865 275 P CB -0.063 31.660 31.700 0.039 0.000 0.789 276 A N -1.184 121.634 122.820 -0.002 0.000 1.969 276 A HA -0.152 4.205 4.320 0.062 0.000 0.218 276 A C 2.176 179.715 177.584 -0.076 0.000 1.169 276 A CA 1.215 53.231 52.037 -0.036 0.000 0.635 276 A CB -1.516 17.452 19.000 -0.053 0.000 0.810 276 A HN 0.125 nan 8.150 nan 0.000 0.445 277 I N -0.355 120.174 120.570 -0.068 0.000 2.226 277 I HA -0.231 3.976 4.170 0.062 0.000 0.245 277 I C 2.335 178.456 176.117 0.007 0.000 1.100 277 I CA 1.240 62.505 61.300 -0.058 0.000 1.374 277 I CB -0.327 37.638 38.000 -0.058 0.000 1.057 277 I HN 0.170 nan 8.210 nan 0.000 0.413 278 V N 0.326 120.249 119.914 0.014 0.000 2.261 278 V HA -0.238 3.919 4.120 0.062 0.000 0.246 278 V C 2.498 178.618 176.094 0.044 0.000 1.047 278 V CA 1.700 64.023 62.300 0.038 0.000 1.015 278 V CB -0.724 31.135 31.823 0.059 0.000 0.642 278 V HN 0.357 nan 8.190 nan 0.000 0.446 279 E N 0.124 120.352 120.200 0.046 0.000 2.114 279 E HA -0.271 4.116 4.350 0.062 0.000 0.199 279 E C 2.193 178.802 176.600 0.014 0.000 1.008 279 E CA 1.801 58.228 56.400 0.046 0.000 0.810 279 E CB -0.323 29.407 29.700 0.050 0.000 0.739 279 E HN 0.688 nan 8.360 nan 0.000 0.456 280 E N 0.242 120.432 120.200 -0.017 0.000 2.107 280 E HA -0.071 4.316 4.350 0.062 0.000 0.191 280 E C 2.021 178.716 176.600 0.158 0.000 0.982 280 E CA 0.594 56.971 56.400 -0.037 0.000 0.809 280 E CB -0.052 29.451 29.700 -0.328 0.000 0.756 280 E HN 0.045 nan 8.360 nan 0.000 0.459 281 V N 0.682 120.716 119.914 0.201 0.000 2.453 281 V HA -0.184 3.973 4.120 0.062 0.000 0.247 281 V C 2.438 178.595 176.094 0.105 0.000 1.048 281 V CA 1.284 63.691 62.300 0.180 0.000 1.049 281 V CB -0.450 31.404 31.823 0.052 0.000 0.672 281 V HN 0.296 nan 8.190 nan 0.000 0.457 282 L N -0.241 120.999 121.223 0.028 0.000 2.013 282 L HA -0.263 4.114 4.340 0.062 0.000 0.212 282 L C 2.780 179.633 176.870 -0.028 0.000 1.073 282 L CA 2.112 56.916 54.840 -0.059 0.000 0.753 282 L CB -0.496 41.477 42.059 -0.144 0.000 0.890 282 L HN 0.281 nan 8.230 nan 0.000 0.432 283 R N -1.293 119.218 120.500 0.017 0.000 2.073 283 R HA -0.213 4.164 4.340 0.062 0.000 0.229 283 R C 2.419 178.761 176.300 0.070 0.000 1.120 283 R CA 1.567 57.676 56.100 0.014 0.000 0.967 283 R CB -0.340 29.928 30.300 -0.054 0.000 0.862 283 R HN 0.255 nan 8.270 nan 0.000 0.436 284 Y N 0.397 120.698 120.300 0.000 0.000 2.184 284 Y HA 0.009 4.583 4.550 0.041 0.000 0.290 284 Y C 0.411 176.329 175.900 0.031 0.000 1.129 284 Y CA 1.412 59.535 58.100 0.038 0.000 1.144 284 Y CB 0.414 38.954 38.460 0.133 0.000 0.995 284 Y HN -0.129 nan 8.280 nan 0.000 0.513 285 R N 1.099 121.683 120.500 0.139 0.000 2.547 285 R HA 0.260 4.637 4.340 0.062 0.000 0.280 285 R C -2.812 173.490 176.300 0.004 0.000 1.630 285 R CA -2.083 54.044 56.100 0.045 0.000 1.470 285 R CB 0.900 31.246 30.300 0.077 0.000 1.178 285 R HN 0.050 nan 8.270 nan 0.000 0.591 286 P HA 0.119 nan 4.420 nan 0.000 0.271 286 P C -2.282 174.957 177.300 -0.102 0.000 1.226 286 P CA -1.380 61.688 63.100 -0.053 0.000 0.765 286 P CB 1.341 33.038 31.700 -0.006 0.000 0.835 287 P HA -0.126 nan 4.420 nan 0.000 0.216 287 P C -0.068 176.883 177.300 -0.581 0.000 1.154 287 P CA 1.564 64.408 63.100 -0.427 0.000 0.865 287 P CB -0.099 31.258 31.700 -0.572 0.000 0.789 288 F N -0.601 119.303 119.950 -0.076 0.000 2.293 288 F HA 0.287 4.853 4.527 0.066 0.000 0.370 288 F C -1.305 174.444 175.800 -0.084 0.000 1.090 288 F CA -2.261 55.685 58.000 -0.090 0.000 1.133 288 F CB 1.198 40.139 39.000 -0.098 0.000 1.360 288 F HN -0.024 nan 8.300 nan 0.000 0.489 289 P HA -0.064 nan 4.420 nan 0.000 0.231 289 P C -0.534 176.696 177.300 -0.117 0.000 1.168 289 P CA 0.937 64.050 63.100 0.022 0.000 0.779 289 P CB 0.578 32.309 31.700 0.052 0.000 0.844 290 Q N -0.613 119.053 119.800 -0.225 0.000 2.331 290 Q HA 0.557 4.934 4.340 0.062 0.000 0.272 290 Q C -0.511 175.359 176.000 -0.216 0.000 1.062 290 Q CA -0.732 54.832 55.803 -0.399 0.000 0.806 290 Q CB 2.340 30.648 28.738 -0.717 0.000 1.312 290 Q HN -0.122 nan 8.270 nan 0.000 0.431 291 M N 1.287 120.773 119.600 -0.189 0.000 2.724 291 M HA 0.470 4.987 4.480 0.062 0.000 0.310 291 M C -0.817 175.391 176.300 -0.154 0.000 1.217 291 M CA -0.495 54.715 55.300 -0.150 0.000 0.894 291 M CB 2.055 34.590 32.600 -0.108 0.000 1.719 291 M HN 0.620 nan 8.290 nan 0.000 0.479 292 Q N 1.116 120.838 119.800 -0.130 0.000 2.375 292 Q HA 0.650 5.027 4.340 0.062 0.000 0.271 292 Q C -0.893 175.054 176.000 -0.087 0.000 1.074 292 Q CA -0.946 54.791 55.803 -0.110 0.000 0.808 292 Q CB 3.159 31.839 28.738 -0.097 0.000 1.327 292 Q HN 0.452 nan 8.270 nan 0.000 0.441 293 R N 0.540 121.008 120.500 -0.053 0.000 2.855 293 R HA 0.658 5.035 4.340 0.062 0.000 0.266 293 R C -0.995 175.338 176.300 0.055 0.000 1.034 293 R CA -0.767 55.337 56.100 0.006 0.000 0.944 293 R CB 2.042 32.373 30.300 0.052 0.000 1.219 293 R HN 0.537 nan 8.270 nan 0.000 0.474 294 T N 1.182 115.783 114.554 0.079 0.000 2.841 294 T HA 0.276 4.663 4.350 0.062 0.000 0.285 294 T C -0.371 174.359 174.700 0.051 0.000 0.991 294 T CA -0.636 61.499 62.100 0.058 0.000 0.966 294 T CB 1.633 70.507 68.868 0.009 0.000 0.962 294 T HN 0.635 nan 8.240 nan 0.000 0.438 295 T N 0.077 114.637 114.554 0.010 0.000 2.901 295 T HA 0.236 4.623 4.350 0.062 0.000 0.301 295 T C 1.425 176.039 174.700 -0.143 0.000 1.012 295 T CA -0.341 61.665 62.100 -0.156 0.000 1.135 295 T CB 0.743 69.485 68.868 -0.210 0.000 0.936 295 T HN 0.680 nan 8.240 nan 0.000 0.539 296 T N -1.368 113.072 114.554 -0.191 0.000 3.069 296 T HA 0.253 4.640 4.350 0.062 0.000 0.252 296 T C 0.288 174.909 174.700 -0.132 0.000 1.053 296 T CA -0.424 61.599 62.100 -0.128 0.000 0.964 296 T CB -0.412 68.386 68.868 -0.117 0.000 1.005 296 T HN 0.985 nan 8.240 nan 0.000 0.532 297 K N -0.273 120.020 120.400 -0.178 0.000 2.625 297 K HA 0.668 5.024 4.320 0.062 0.000 0.284 297 K C -1.218 175.271 176.600 -0.186 0.000 0.984 297 K CA -1.092 55.102 56.287 -0.155 0.000 0.865 297 K CB 0.894 33.308 32.500 -0.144 0.000 1.468 297 K HN -0.031 nan 8.250 nan 0.000 0.407 298 A N 1.270 124.006 122.820 -0.140 0.000 2.566 298 A HA 0.311 4.668 4.320 0.062 0.000 0.245 298 A C 0.043 177.528 177.584 -0.165 0.000 1.056 298 A CA 1.094 53.046 52.037 -0.142 0.000 0.757 298 A CB -0.159 18.784 19.000 -0.095 0.000 0.979 298 A HN 0.682 nan 8.150 nan 0.000 0.508 299 T N 0.776 115.214 114.554 -0.193 0.000 2.778 299 T HA 0.636 5.023 4.350 0.062 0.000 0.293 299 T C -1.228 173.398 174.700 -0.123 0.000 1.144 299 T CA -0.137 61.859 62.100 -0.174 0.000 1.010 299 T CB 1.228 69.921 68.868 -0.291 0.000 1.325 299 T HN 0.927 nan 8.240 nan 0.000 0.515 300 E N 0.706 120.871 120.200 -0.059 0.000 2.340 300 E HA 0.668 5.055 4.350 0.062 0.000 0.273 300 E C -1.835 174.788 176.600 0.038 0.000 0.891 300 E CA -0.888 55.494 56.400 -0.031 0.000 0.757 300 E CB 2.102 31.789 29.700 -0.022 0.000 1.231 300 E HN 0.345 nan 8.360 nan 0.000 0.439 301 V N 1.808 121.745 119.914 0.039 0.000 2.531 301 V HA 0.572 4.729 4.120 0.062 0.000 0.301 301 V C 0.453 176.585 176.094 0.063 0.000 1.034 301 V CA -0.018 62.322 62.300 0.066 0.000 0.865 301 V CB 0.958 32.822 31.823 0.067 0.000 0.995 301 V HN 1.137 nan 8.190 nan 0.000 0.424 302 A N 3.728 126.583 122.820 0.059 0.000 2.860 302 A HA 0.027 4.384 4.320 0.062 0.000 0.267 302 A C 1.737 179.357 177.584 0.060 0.000 1.421 302 A CA 1.349 53.423 52.037 0.062 0.000 0.831 302 A CB -1.626 17.422 19.000 0.079 0.000 1.041 302 A HN 2.732 nan 8.150 nan 0.000 0.623 303 G N -3.674 105.155 108.800 0.049 0.000 2.162 303 G HA2 -0.008 3.989 3.960 0.062 0.000 0.260 303 G HA3 -0.008 3.989 3.960 0.062 0.000 0.260 303 G C 0.315 175.245 174.900 0.051 0.000 0.976 303 G CA 0.600 45.726 45.100 0.043 0.000 0.655 303 G HN 1.883 nan 8.290 nan 0.000 0.533 304 V N 2.727 122.677 119.914 0.060 0.000 2.370 304 V HA 0.501 4.658 4.120 0.062 0.000 0.279 304 V C -1.527 174.564 176.094 -0.005 0.000 1.029 304 V CA -1.650 60.697 62.300 0.078 0.000 0.870 304 V CB 1.670 33.587 31.823 0.157 0.000 0.984 304 V HN 0.207 nan 8.190 nan 0.000 0.451 305 P HA 0.419 nan 4.420 nan 0.000 0.281 305 P C -0.805 176.325 177.300 -0.284 0.000 1.252 305 P CA -0.047 62.997 63.100 -0.092 0.000 0.778 305 P CB 1.196 32.882 31.700 -0.024 0.000 0.895 306 I N 5.196 125.537 120.570 -0.383 0.000 2.498 306 I HA 0.332 4.539 4.170 0.062 0.000 0.290 306 I C -2.163 173.725 176.117 -0.381 0.000 1.032 306 I CA -2.944 57.934 61.300 -0.703 0.000 1.073 306 I CB 2.726 40.238 38.000 -0.813 0.000 1.251 306 I HN 0.145 nan 8.210 nan 0.000 0.426 307 P HA 0.191 nan 4.420 nan 0.000 0.274 307 P C -0.613 176.608 177.300 -0.131 0.000 1.256 307 P CA -0.380 62.645 63.100 -0.126 0.000 0.795 307 P CB 0.680 32.374 31.700 -0.009 0.000 1.038 308 A N 0.547 123.313 122.820 -0.090 0.000 2.386 308 A HA 0.255 4.612 4.320 0.062 0.000 0.248 308 A C 0.511 178.066 177.584 -0.049 0.000 1.082 308 A CA 0.093 52.077 52.037 -0.089 0.000 0.789 308 A CB -0.815 18.141 19.000 -0.074 0.000 1.025 308 A HN 0.711 nan 8.150 nan 0.000 0.490 309 D N -1.708 118.664 120.400 -0.048 0.000 3.017 309 D HA -0.154 4.523 4.640 0.062 0.000 0.220 309 D C 0.072 176.381 176.300 0.016 0.000 1.141 309 D CA 1.395 55.385 54.000 -0.016 0.000 0.848 309 D CB -2.333 38.461 40.800 -0.010 0.000 1.102 309 D HN 1.066 nan 8.370 nan 0.000 0.427 310 V N -3.084 116.847 119.914 0.028 0.000 3.019 310 V HA 0.695 4.852 4.120 0.062 0.000 0.317 310 V C 0.481 176.634 176.094 0.097 0.000 1.094 310 V CA -1.118 61.238 62.300 0.094 0.000 1.000 310 V CB 2.610 34.548 31.823 0.192 0.000 1.060 310 V HN 0.099 nan 8.190 nan 0.000 0.443 311 M N 2.586 122.259 119.600 0.121 0.000 2.249 311 M HA 0.654 5.171 4.480 0.062 0.000 0.351 311 M C -1.342 175.023 176.300 0.110 0.000 1.180 311 M CA -0.335 55.013 55.300 0.080 0.000 1.127 311 M CB 1.470 34.087 32.600 0.028 0.000 1.546 311 M HN 0.679 nan 8.290 nan 0.000 0.461 312 V N 4.924 124.872 119.914 0.056 0.000 2.483 312 V HA 0.368 4.524 4.120 0.062 0.000 0.297 312 V C -0.737 175.307 176.094 -0.082 0.000 1.027 312 V CA -0.833 61.483 62.300 0.027 0.000 0.855 312 V CB 1.833 33.687 31.823 0.052 0.000 0.995 312 V HN 0.891 nan 8.190 nan 0.000 0.424 313 N N 2.471 121.085 118.700 -0.144 0.000 2.419 313 N HA 0.503 5.280 4.740 0.062 0.000 0.277 313 N C -0.323 175.139 175.510 -0.081 0.000 1.006 313 N CA -0.472 52.481 53.050 -0.162 0.000 0.923 313 N CB 1.739 40.104 38.487 -0.204 0.000 1.140 313 N HN 0.766 nan 8.380 nan 0.000 0.488 314 T N -0.605 113.875 114.554 -0.124 0.000 2.743 314 T HA 0.250 4.637 4.350 0.062 0.000 0.292 314 T C -0.500 174.188 174.700 -0.020 0.000 0.972 314 T CA -0.736 61.339 62.100 -0.041 0.000 0.967 314 T CB 0.165 68.987 68.868 -0.078 0.000 0.926 314 T HN 0.375 nan 8.240 nan 0.000 0.459 315 W N 4.060 125.385 121.300 0.042 0.000 2.290 315 W HA 0.378 5.069 4.660 0.052 0.000 0.408 315 W C 1.142 177.746 176.519 0.142 0.000 0.966 315 W CA -0.826 56.614 57.345 0.158 0.000 1.579 315 W CB -0.350 29.304 29.460 0.324 0.000 1.662 315 W HN 0.562 nan 8.180 nan 0.000 0.341 316 V N 2.998 123.036 119.914 0.207 0.000 2.392 316 V HA -0.342 3.815 4.120 0.062 0.000 0.249 316 V C 2.185 178.422 176.094 0.238 0.000 1.059 316 V CA 1.664 64.075 62.300 0.185 0.000 1.051 316 V CB -0.806 31.080 31.823 0.106 0.000 0.658 316 V HN 0.556 nan 8.190 nan 0.000 0.455 317 L N 0.112 121.507 121.223 0.286 0.000 2.012 317 L HA -0.161 4.216 4.340 0.062 0.000 0.210 317 L C 2.602 179.643 176.870 0.286 0.000 1.073 317 L CA 2.476 57.483 54.840 0.277 0.000 0.748 317 L CB -0.901 41.362 42.059 0.340 0.000 0.891 317 L HN 0.309 nan 8.230 nan 0.000 0.431 318 S N -0.801 115.143 115.700 0.406 0.000 2.353 318 S HA -0.207 4.300 4.470 0.062 0.000 0.222 318 S C 2.168 176.926 174.600 0.264 0.000 1.035 318 S CA 1.372 59.759 58.200 0.312 0.000 1.025 318 S CB -0.610 62.848 63.200 0.430 0.000 0.902 318 S HN 0.695 nan 8.310 nan 0.000 0.440 319 A N 1.713 124.716 122.820 0.306 0.000 1.948 319 A HA -0.158 4.199 4.320 0.062 0.000 0.220 319 A C 1.904 179.706 177.584 0.363 0.000 1.177 319 A CA 2.052 54.293 52.037 0.341 0.000 0.636 319 A CB -0.868 18.326 19.000 0.324 0.000 0.815 319 A HN 0.616 nan 8.150 nan 0.000 0.449 320 N N -0.627 118.242 118.700 0.282 0.000 2.354 320 N HA -0.043 4.734 4.740 0.062 0.000 0.179 320 N C 1.264 176.847 175.510 0.122 0.000 1.021 320 N CA 0.703 53.877 53.050 0.207 0.000 0.887 320 N CB -0.162 38.390 38.487 0.108 0.000 0.974 320 N HN 0.271 nan 8.380 nan 0.000 0.437 321 R N 0.719 121.291 120.500 0.119 0.000 2.334 321 R HA 0.119 4.496 4.340 0.062 0.000 0.220 321 R C -0.365 175.994 176.300 0.097 0.000 0.917 321 R CA -0.135 56.008 56.100 0.072 0.000 1.073 321 R CB -0.629 29.684 30.300 0.022 0.000 1.056 321 R HN 0.159 nan 8.270 nan 0.000 0.506 322 D N 0.830 121.318 120.400 0.146 0.000 2.316 322 D HA 0.000 4.677 4.640 0.062 0.000 0.245 322 D C 1.040 177.383 176.300 0.073 0.000 1.171 322 D CA -0.010 54.051 54.000 0.102 0.000 0.856 322 D CB 1.218 42.099 40.800 0.135 0.000 1.090 322 D HN 0.049 nan 8.370 nan 0.000 0.476 323 S N 2.712 118.439 115.700 0.044 0.000 2.469 323 S HA -0.172 4.335 4.470 0.062 0.000 0.238 323 S C 1.018 175.613 174.600 -0.008 0.000 0.998 323 S CA 0.627 58.845 58.200 0.030 0.000 0.957 323 S CB 0.048 63.260 63.200 0.021 0.000 0.764 323 S HN 0.445 nan 8.310 nan 0.000 0.514 324 D N 1.865 122.254 120.400 -0.019 0.000 2.312 324 D HA 0.199 4.876 4.640 0.062 0.000 0.211 324 D C 1.910 178.130 176.300 -0.133 0.000 0.964 324 D CA 1.105 55.079 54.000 -0.043 0.000 0.877 324 D CB -0.227 40.570 40.800 -0.004 0.000 0.924 324 D HN 0.622 nan 8.370 nan 0.000 0.515 325 A N -0.140 122.524 122.820 -0.259 0.000 2.014 325 A HA 0.049 4.406 4.320 0.062 0.000 0.210 325 A C 0.674 177.779 177.584 -0.799 0.000 1.188 325 A CA 0.511 52.136 52.037 -0.686 0.000 0.731 325 A CB 0.180 18.435 19.000 -1.242 0.000 0.858 325 A HN 0.176 nan 8.150 nan 0.000 0.464 326 H N -0.065 118.926 119.070 -0.132 0.000 2.851 326 H HA 0.294 4.890 4.556 0.067 0.000 0.372 326 H C -1.632 173.671 175.328 -0.042 0.000 1.158 326 H CA -1.070 54.933 56.048 -0.076 0.000 1.159 326 H CB 1.164 30.892 29.762 -0.058 0.000 1.757 326 H HN 0.216 nan 8.280 nan 0.000 0.546 327 D N 1.797 122.253 120.400 0.092 0.000 2.302 327 D HA 0.028 4.705 4.640 0.062 0.000 0.248 327 D C -0.005 176.328 176.300 0.056 0.000 1.094 327 D CA 0.073 54.103 54.000 0.050 0.000 0.897 327 D CB 0.744 41.559 40.800 0.025 0.000 1.200 327 D HN 0.445 nan 8.370 nan 0.000 0.429 328 D N 1.599 122.025 120.400 0.044 0.000 2.803 328 D HA -0.135 4.542 4.640 0.062 0.000 0.233 328 D C -1.463 174.874 176.300 0.060 0.000 1.182 328 D CA 0.042 54.069 54.000 0.045 0.000 0.726 328 D CB -0.462 40.358 40.800 0.033 0.000 0.987 328 D HN 0.380 nan 8.370 nan 0.000 0.412 329 P HA -0.114 nan 4.420 nan 0.000 0.223 329 P C 0.805 178.160 177.300 0.092 0.000 1.151 329 P CA 0.802 63.945 63.100 0.071 0.000 0.787 329 P CB 0.415 32.165 31.700 0.083 0.000 0.788 330 D N -0.163 120.301 120.400 0.106 0.000 2.349 330 D HA -0.019 4.658 4.640 0.062 0.000 0.224 330 D C 1.069 177.564 176.300 0.325 0.000 1.029 330 D CA 0.305 54.405 54.000 0.168 0.000 0.879 330 D CB -0.152 40.706 40.800 0.097 0.000 0.906 330 D HN 0.296 nan 8.370 nan 0.000 0.528 331 R N 0.820 121.446 120.500 0.209 0.000 2.234 331 R HA 0.113 4.490 4.340 0.062 0.000 0.324 331 R C -0.579 175.763 176.300 0.069 0.000 1.054 331 R CA -0.560 55.630 56.100 0.149 0.000 0.912 331 R CB -0.083 30.254 30.300 0.062 0.000 1.030 331 R HN -0.270 nan 8.270 nan 0.000 0.455 332 F N 4.608 124.387 119.950 -0.286 0.000 2.494 332 F HA 0.203 4.766 4.527 0.060 0.000 0.369 332 F C -0.716 174.801 175.800 -0.472 0.000 1.098 332 F CA 0.043 57.618 58.000 -0.709 0.000 1.154 332 F CB 0.528 38.669 39.000 -1.432 0.000 1.103 332 F HN 0.741 nan 8.300 nan 0.000 0.549 333 D N 8.371 128.178 120.400 -0.988 0.000 2.328 333 D HA 0.319 4.996 4.640 0.062 0.000 0.243 333 D C -2.345 173.550 176.300 -0.675 0.000 1.324 333 D CA -1.892 51.696 54.000 -0.686 0.000 0.966 333 D CB 1.548 42.166 40.800 -0.303 0.000 1.324 333 D HN 0.160 nan 8.370 nan 0.000 0.549 334 P HA -0.039 nan 4.420 nan 0.000 0.220 334 P C 0.907 178.050 177.300 -0.262 0.000 1.148 334 P CA 0.639 63.425 63.100 -0.524 0.000 0.803 334 P CB 0.366 31.748 31.700 -0.530 0.000 0.782 335 S N -0.548 115.032 115.700 -0.199 0.000 2.607 335 S HA -0.025 4.482 4.470 0.062 0.000 0.224 335 S C 0.817 175.364 174.600 -0.089 0.000 0.969 335 S CA -0.190 57.947 58.200 -0.104 0.000 0.927 335 S CB -0.837 62.327 63.200 -0.061 0.000 0.772 335 S HN 0.311 nan 8.310 nan 0.000 0.533 336 R N 2.458 122.886 120.500 -0.119 0.000 2.435 336 R HA 0.193 4.570 4.340 0.062 0.000 0.325 336 R C -0.040 176.235 176.300 -0.042 0.000 1.149 336 R CA -0.161 55.894 56.100 -0.076 0.000 0.995 336 R CB 0.007 30.257 30.300 -0.084 0.000 1.008 336 R HN -0.004 nan 8.270 nan 0.000 0.470 337 K N 2.213 122.598 120.400 -0.024 0.000 2.469 337 K HA -0.026 4.331 4.320 0.062 0.000 0.274 337 K C -0.714 175.893 176.600 0.011 0.000 0.983 337 K CA 0.414 56.698 56.287 -0.005 0.000 0.974 337 K CB 0.776 33.274 32.500 -0.003 0.000 0.913 337 K HN 0.603 nan 8.250 nan 0.000 0.493 338 S N 1.067 116.781 115.700 0.024 0.000 2.594 338 S HA 0.357 4.864 4.470 0.062 0.000 0.296 338 S C -0.475 174.144 174.600 0.032 0.000 1.124 338 S CA -0.634 57.589 58.200 0.039 0.000 1.011 338 S CB 1.464 64.704 63.200 0.067 0.000 1.016 338 S HN 0.725 nan 8.310 nan 0.000 0.485 339 G N 2.135 110.949 108.800 0.023 0.000 2.661 339 G HA2 0.442 4.439 3.960 0.062 0.000 0.292 339 G HA3 0.442 4.439 3.960 0.062 0.000 0.292 339 G C 0.859 175.776 174.900 0.028 0.000 0.781 339 G CA 0.222 45.334 45.100 0.020 0.000 1.860 339 G HN 1.487 nan 8.290 nan 0.000 0.512 340 G N 0.844 109.665 108.800 0.036 0.000 2.638 340 G HA2 0.215 4.212 3.960 0.062 0.000 0.269 340 G HA3 0.215 4.212 3.960 0.062 0.000 0.269 340 G C 0.442 175.383 174.900 0.069 0.000 1.141 340 G CA -0.117 45.011 45.100 0.047 0.000 1.081 340 G HN 1.816 nan 8.290 nan 0.000 0.527 341 A N 0.178 123.042 122.820 0.073 0.000 2.594 341 A HA 0.602 4.959 4.320 0.062 0.000 0.291 341 A C 1.127 178.789 177.584 0.130 0.000 1.374 341 A CA 1.357 53.455 52.037 0.101 0.000 1.025 341 A CB -0.232 18.820 19.000 0.087 0.000 1.072 341 A HN 2.281 nan 8.150 nan 0.000 0.555 342 A N 2.853 125.772 122.820 0.164 0.000 2.318 342 A HA 0.600 4.957 4.320 0.062 0.000 0.317 342 A C -0.087 177.683 177.584 0.311 0.000 1.159 342 A CA -0.651 51.519 52.037 0.222 0.000 0.799 342 A CB 0.823 19.940 19.000 0.196 0.000 1.194 342 A HN 0.726 nan 8.150 nan 0.000 0.479 343 Q N 2.482 122.540 119.800 0.429 0.000 2.490 343 Q HA 0.304 4.681 4.340 0.062 0.000 0.226 343 Q C 0.425 176.650 176.000 0.375 0.000 1.132 343 Q CA -0.276 55.765 55.803 0.396 0.000 0.928 343 Q CB 0.470 29.495 28.738 0.478 0.000 1.299 343 Q HN 0.739 nan 8.270 nan 0.000 0.528 344 L N 2.196 123.593 121.223 0.289 0.000 2.261 344 L HA -0.128 4.249 4.340 0.062 0.000 0.216 344 L C 1.392 178.334 176.870 0.119 0.000 1.114 344 L CA 1.743 56.725 54.840 0.235 0.000 0.777 344 L CB -0.186 42.011 42.059 0.231 0.000 0.910 344 L HN 0.570 nan 8.230 nan 0.000 0.440 345 S N -1.193 114.518 115.700 0.018 0.000 2.507 345 S HA -0.010 4.497 4.470 0.062 0.000 0.235 345 S C 1.303 175.784 174.600 -0.199 0.000 0.988 345 S CA 0.754 58.887 58.200 -0.111 0.000 0.944 345 S CB -0.400 62.668 63.200 -0.220 0.000 0.762 345 S HN 0.497 nan 8.310 nan 0.000 0.526 346 F N 1.285 121.175 119.950 -0.100 0.000 2.664 346 F HA 0.370 4.939 4.527 0.069 0.000 0.303 346 F C 1.539 177.032 175.800 -0.511 0.000 1.092 346 F CA 0.009 57.795 58.000 -0.356 0.000 1.305 346 F CB 0.352 38.958 39.000 -0.656 0.000 1.054 346 F HN 0.318 nan 8.300 nan 0.000 0.565 347 G N 0.522 109.293 108.800 -0.048 0.000 2.500 347 G HA2 -0.096 3.901 3.960 0.062 0.000 0.209 347 G HA3 -0.096 3.901 3.960 0.062 0.000 0.209 347 G C -1.554 173.520 174.900 0.290 0.000 1.283 347 G CA -0.671 44.463 45.100 0.055 0.000 0.960 347 G HN 0.495 nan 8.290 nan 0.000 0.528 348 H N -0.731 118.478 119.070 0.232 0.000 3.155 348 H HA 0.676 5.269 4.556 0.063 0.000 0.328 348 H C 0.373 175.836 175.328 0.225 0.000 1.059 348 H CA 1.830 58.050 56.048 0.287 0.000 1.378 348 H CB 1.008 30.866 29.762 0.160 0.000 1.998 348 H HN 2.689 nan 8.280 nan 0.000 0.480 349 G N 1.383 110.045 108.800 -0.231 0.000 2.451 349 G HA2 -0.164 3.833 3.960 0.062 0.000 0.208 349 G HA3 -0.164 3.833 3.960 0.062 0.000 0.208 349 G C 0.909 175.813 174.900 0.006 0.000 1.248 349 G CA 0.257 45.230 45.100 -0.212 0.000 0.989 349 G HN 1.479 nan 8.290 nan 0.000 0.559 350 V N -2.493 117.404 119.914 -0.028 0.000 2.970 350 V HA 0.112 4.269 4.120 0.062 0.000 0.260 350 V C 1.758 177.832 176.094 -0.034 0.000 1.100 350 V CA 2.421 64.707 62.300 -0.024 0.000 1.122 350 V CB -0.639 31.129 31.823 -0.092 0.000 0.721 350 V HN 0.708 nan 8.190 nan 0.000 0.483 351 H N -0.732 118.371 119.070 0.055 0.000 2.526 351 H HA 0.288 4.881 4.556 0.061 0.000 0.274 351 H C 0.550 175.976 175.328 0.164 0.000 0.999 351 H CA -0.636 55.464 56.048 0.087 0.000 1.157 351 H CB -0.007 29.738 29.762 -0.029 0.000 1.407 351 H HN 0.551 nan 8.280 nan 0.000 0.568 352 F N 1.758 121.791 119.950 0.138 0.000 2.623 352 F HA -0.131 4.433 4.527 0.062 0.000 0.386 352 F C 0.913 176.789 175.800 0.128 0.000 1.068 352 F CA -0.160 57.922 58.000 0.137 0.000 1.265 352 F CB 0.381 39.441 39.000 0.100 0.000 1.026 352 F HN 0.125 nan 8.300 nan 0.000 0.568 353 C N 8.710 127.831 119.300 -0.299 0.000 2.271 353 C HA -0.095 4.402 4.460 0.062 0.000 0.397 353 C C 1.674 176.687 174.990 0.039 0.000 1.533 353 C CA -0.208 58.733 59.018 -0.129 0.000 1.433 353 C CB -1.781 25.842 27.740 -0.196 0.000 2.511 353 C HN 0.966 nan 8.230 nan 0.000 0.610 354 L N 6.028 127.306 121.223 0.091 0.000 2.217 354 L HA 0.220 4.597 4.340 0.062 0.000 0.211 354 L C 2.164 179.147 176.870 0.189 0.000 1.107 354 L CA 2.283 57.208 54.840 0.142 0.000 0.783 354 L CB -0.441 41.678 42.059 0.099 0.000 0.919 354 L HN 0.850 nan 8.230 nan 0.000 0.442 355 G N -1.978 106.880 108.800 0.097 0.000 3.042 355 G HA2 0.143 4.140 3.960 0.062 0.000 0.212 355 G HA3 0.143 4.140 3.960 0.062 0.000 0.212 355 G C 1.523 176.455 174.900 0.054 0.000 1.166 355 G CA 0.423 45.639 45.100 0.194 0.000 0.767 355 G HN 0.504 nan 8.290 nan 0.000 0.546 356 A N 2.091 124.796 122.820 -0.192 0.000 1.927 356 A HA -0.079 4.278 4.320 0.062 0.000 0.220 356 A C 0.636 178.076 177.584 -0.241 0.000 1.185 356 A CA 2.011 53.656 52.037 -0.654 0.000 0.639 356 A CB -1.086 17.294 19.000 -1.033 0.000 0.820 356 A HN 0.375 nan 8.150 nan 0.000 0.451 357 P HA -0.099 nan 4.420 nan 0.000 0.217 357 P C 1.644 178.960 177.300 0.027 0.000 1.151 357 P CA 0.769 63.868 63.100 -0.002 0.000 0.828 357 P CB -0.066 31.636 31.700 0.004 0.000 0.788 358 L N 0.054 121.312 121.223 0.057 0.000 2.017 358 L HA -0.081 4.296 4.340 0.062 0.000 0.208 358 L C 2.201 179.128 176.870 0.095 0.000 1.073 358 L CA 2.108 56.994 54.840 0.076 0.000 0.745 358 L CB -1.664 40.483 42.059 0.146 0.000 0.894 358 L HN -0.117 nan 8.230 nan 0.000 0.432 359 A N -0.371 122.523 122.820 0.124 0.000 1.902 359 A HA -0.214 4.143 4.320 0.062 0.000 0.217 359 A C 2.411 180.095 177.584 0.167 0.000 1.181 359 A CA 1.771 53.912 52.037 0.172 0.000 0.623 359 A CB -0.540 18.634 19.000 0.289 0.000 0.818 359 A HN 0.520 nan 8.150 nan 0.000 0.443 360 R N -1.230 119.371 120.500 0.168 0.000 2.081 360 R HA -0.106 4.271 4.340 0.062 0.000 0.235 360 R C 2.115 178.475 176.300 0.100 0.000 1.131 360 R CA 1.400 57.593 56.100 0.156 0.000 0.960 360 R CB -0.581 29.807 30.300 0.146 0.000 0.856 360 R HN 0.488 nan 8.270 nan 0.000 0.436 361 L N 1.577 122.844 121.223 0.075 0.000 2.046 361 L HA -0.146 4.231 4.340 0.062 0.000 0.208 361 L C 1.759 178.661 176.870 0.053 0.000 1.077 361 L CA 1.852 56.724 54.840 0.053 0.000 0.747 361 L CB -0.296 41.782 42.059 0.032 0.000 0.896 361 L HN 0.096 nan 8.230 nan 0.000 0.432 362 E N -0.818 119.418 120.200 0.061 0.000 2.107 362 E HA -0.143 4.244 4.350 0.062 0.000 0.191 362 E C 1.891 178.526 176.600 0.058 0.000 0.982 362 E CA 1.029 57.460 56.400 0.052 0.000 0.809 362 E CB -0.073 29.658 29.700 0.052 0.000 0.756 362 E HN 0.554 nan 8.360 nan 0.000 0.459 363 N N 0.572 119.315 118.700 0.071 0.000 2.331 363 N HA -0.116 4.661 4.740 0.062 0.000 0.180 363 N C 1.796 177.347 175.510 0.068 0.000 1.019 363 N CA 0.535 53.627 53.050 0.070 0.000 0.881 363 N CB -0.003 38.529 38.487 0.076 0.000 0.972 363 N HN 0.098 nan 8.380 nan 0.000 0.435 364 R N 1.123 121.663 120.500 0.067 0.000 2.066 364 R HA -0.023 4.354 4.340 0.062 0.000 0.232 364 R C 2.029 178.365 176.300 0.060 0.000 1.131 364 R CA 1.003 57.139 56.100 0.061 0.000 0.955 364 R CB -0.187 30.147 30.300 0.056 0.000 0.851 364 R HN -0.093 nan 8.270 nan 0.000 0.432 365 V N 1.259 121.206 119.914 0.054 0.000 2.358 365 V HA -0.199 3.958 4.120 0.062 0.000 0.246 365 V C 2.498 178.628 176.094 0.060 0.000 1.047 365 V CA 1.823 64.152 62.300 0.048 0.000 1.035 365 V CB -0.664 31.180 31.823 0.035 0.000 0.658 365 V HN 0.573 nan 8.190 nan 0.000 0.452 366 A N -0.059 122.800 122.820 0.066 0.000 1.873 366 A HA -0.261 4.096 4.320 0.062 0.000 0.218 366 A C 2.187 179.841 177.584 0.117 0.000 1.193 366 A CA 2.442 54.529 52.037 0.084 0.000 0.629 366 A CB -0.706 18.342 19.000 0.080 0.000 0.826 366 A HN 0.454 nan 8.150 nan 0.000 0.447 367 L N -0.238 121.055 121.223 0.117 0.000 2.056 367 L HA -0.111 4.266 4.340 0.062 0.000 0.207 367 L C 2.174 179.145 176.870 0.168 0.000 1.078 367 L CA 2.451 57.386 54.840 0.157 0.000 0.749 367 L CB -0.769 41.355 42.059 0.108 0.000 0.901 367 L HN 0.549 nan 8.230 nan 0.000 0.433 368 E N -0.554 119.715 120.200 0.116 0.000 2.108 368 E HA -0.269 4.118 4.350 0.062 0.000 0.203 368 E C 2.006 178.663 176.600 0.096 0.000 1.022 368 E CA 1.803 58.262 56.400 0.099 0.000 0.823 368 E CB -0.036 29.703 29.700 0.066 0.000 0.744 368 E HN 0.498 nan 8.360 nan 0.000 0.456 369 E N 0.004 120.255 120.200 0.085 0.000 2.208 369 E HA -0.104 4.283 4.350 0.062 0.000 0.193 369 E C 2.143 178.786 176.600 0.071 0.000 0.988 369 E CA 0.490 56.922 56.400 0.054 0.000 0.828 369 E CB -0.027 29.696 29.700 0.038 0.000 0.763 369 E HN 0.398 nan 8.360 nan 0.000 0.478 370 I N 0.772 121.447 120.570 0.175 0.000 2.163 370 I HA -0.260 3.947 4.170 0.062 0.000 0.240 370 I C 2.357 178.622 176.117 0.247 0.000 1.081 370 I CA 0.998 62.477 61.300 0.297 0.000 1.353 370 I CB -0.258 37.969 38.000 0.378 0.000 1.054 370 I HN 0.024 nan 8.210 nan 0.000 0.407 371 I N 0.817 121.538 120.570 0.251 0.000 2.226 371 I HA -0.283 3.923 4.170 0.062 0.000 0.245 371 I C 2.759 178.935 176.117 0.099 0.000 1.100 371 I CA 1.366 62.797 61.300 0.218 0.000 1.374 371 I CB -0.498 37.669 38.000 0.278 0.000 1.057 371 I HN 0.182 nan 8.210 nan 0.000 0.413 372 A N 0.669 123.521 122.820 0.052 0.000 1.933 372 A HA -0.224 4.133 4.320 0.062 0.000 0.218 372 A C 2.452 179.987 177.584 -0.081 0.000 1.175 372 A CA 1.866 53.900 52.037 -0.005 0.000 0.628 372 A CB -0.527 18.466 19.000 -0.012 0.000 0.814 372 A HN 0.408 nan 8.150 nan 0.000 0.444 373 R N -2.142 118.247 120.500 -0.185 0.000 2.064 373 R HA 0.060 4.436 4.340 0.062 0.000 0.221 373 R C 1.341 177.414 176.300 -0.379 0.000 1.136 373 R CA 1.408 57.263 56.100 -0.408 0.000 0.980 373 R CB -0.207 29.642 30.300 -0.751 0.000 0.876 373 R HN 0.411 nan 8.270 nan 0.000 0.437 374 F N -0.342 119.603 119.950 -0.009 0.000 2.714 374 F HA 0.393 4.958 4.527 0.063 0.000 0.294 374 F C 1.827 177.566 175.800 -0.101 0.000 1.120 374 F CA 0.595 58.563 58.000 -0.052 0.000 1.398 374 F CB 0.360 39.320 39.000 -0.067 0.000 1.120 374 F HN 0.395 nan 8.300 nan 0.000 0.589 375 G N 1.200 110.043 108.800 0.071 0.000 2.623 375 G HA2 -0.370 3.627 3.960 0.062 0.000 0.241 375 G HA3 -0.370 3.627 3.960 0.062 0.000 0.241 375 G C 0.600 175.414 174.900 -0.144 0.000 1.114 375 G CA 0.799 45.911 45.100 0.021 0.000 0.682 375 G HN 0.606 nan 8.290 nan 0.000 0.524 376 R N -1.514 118.746 120.500 -0.400 0.000 2.753 376 R HA 0.693 5.070 4.340 0.062 0.000 0.272 376 R C -1.714 174.018 176.300 -0.947 0.000 1.034 376 R CA -1.072 54.281 56.100 -1.245 0.000 0.869 376 R CB 0.489 30.094 30.300 -1.159 0.000 1.264 376 R HN 0.441 nan 8.270 nan 0.000 0.481 377 L N 0.622 121.130 121.223 -1.192 0.000 2.354 377 L HA 0.687 5.064 4.340 0.062 0.000 0.264 377 L C -0.418 176.240 176.870 -0.353 0.000 1.008 377 L CA -1.015 53.476 54.840 -0.581 0.000 0.819 377 L CB 2.544 44.361 42.059 -0.402 0.000 1.339 377 L HN 0.823 nan 8.230 nan 0.000 0.420 378 T N 0.516 114.919 114.554 -0.251 0.000 2.887 378 T HA 0.609 4.996 4.350 0.062 0.000 0.288 378 T C -0.741 173.878 174.700 -0.135 0.000 1.021 378 T CA -0.434 61.593 62.100 -0.123 0.000 1.000 378 T CB 1.553 70.353 68.868 -0.114 0.000 1.034 378 T HN 0.223 nan 8.240 nan 0.000 0.467 379 V N 4.207 124.073 119.914 -0.079 0.000 2.614 379 V HA 0.284 4.441 4.120 0.062 0.000 0.291 379 V C 0.317 176.349 176.094 -0.102 0.000 1.049 379 V CA -0.443 61.798 62.300 -0.099 0.000 1.038 379 V CB 1.252 33.037 31.823 -0.063 0.000 0.980 379 V HN 0.898 nan 8.190 nan 0.000 0.481 380 D N 4.175 124.501 120.400 -0.123 0.000 2.443 380 D HA 0.245 4.922 4.640 0.062 0.000 0.221 380 D C 0.399 176.649 176.300 -0.082 0.000 1.097 380 D CA -0.449 53.486 54.000 -0.109 0.000 0.865 380 D CB 0.530 41.247 40.800 -0.138 0.000 1.034 380 D HN 0.425 nan 8.370 nan 0.000 0.511 381 R N 3.273 123.736 120.500 -0.062 0.000 3.863 381 R HA 0.170 4.547 4.340 0.062 0.000 0.304 381 R C -0.480 175.794 176.300 -0.045 0.000 1.485 381 R CA -0.281 55.790 56.100 -0.048 0.000 1.355 381 R CB 0.423 30.703 30.300 -0.033 0.000 1.457 381 R HN 0.295 nan 8.270 nan 0.000 0.669 382 D N -0.053 120.317 120.400 -0.051 0.000 2.388 382 D HA 0.003 4.680 4.640 0.062 0.000 0.221 382 D C 0.494 176.769 176.300 -0.042 0.000 1.133 382 D CA 0.589 54.562 54.000 -0.045 0.000 0.831 382 D CB 0.612 41.383 40.800 -0.049 0.000 0.962 382 D HN 0.281 nan 8.370 nan 0.000 0.502 383 D N -0.472 119.902 120.400 -0.044 0.000 2.135 383 D HA 0.013 4.690 4.640 0.062 0.000 0.318 383 D C -0.370 175.906 176.300 -0.040 0.000 1.109 383 D CA 0.319 54.293 54.000 -0.042 0.000 0.952 383 D CB 0.884 41.655 40.800 -0.049 0.000 1.816 383 D HN 0.178 nan 8.370 nan 0.000 0.528 384 E N -0.783 119.391 120.200 -0.043 0.000 2.423 384 E HA 0.482 4.869 4.350 0.062 0.000 0.280 384 E C -0.808 175.775 176.600 -0.029 0.000 1.030 384 E CA -1.029 55.350 56.400 -0.036 0.000 0.812 384 E CB 1.329 31.004 29.700 -0.042 0.000 1.313 384 E HN -0.190 nan 8.360 nan 0.000 0.456 385 R N 0.493 120.985 120.500 -0.013 0.000 2.707 385 R HA 0.237 4.614 4.340 0.062 0.000 0.270 385 R C 0.028 176.333 176.300 0.009 0.000 1.083 385 R CA -0.715 55.389 56.100 0.008 0.000 1.182 385 R CB 0.181 30.497 30.300 0.027 0.000 1.084 385 R HN 0.381 nan 8.270 nan 0.000 0.528 386 L N 1.508 122.745 121.223 0.023 0.000 2.467 386 L HA 0.102 4.479 4.340 0.062 0.000 0.270 386 L C 1.053 177.923 176.870 0.001 0.000 1.205 386 L CA 0.678 55.490 54.840 -0.047 0.000 0.828 386 L CB -0.048 41.902 42.059 -0.182 0.000 1.101 386 L HN 0.366 nan 8.230 nan 0.000 0.479 387 R N 2.406 122.860 120.500 -0.077 0.000 2.369 387 R HA 0.199 4.576 4.340 0.062 0.000 0.310 387 R C -0.420 175.789 176.300 -0.151 0.000 1.141 387 R CA -0.434 55.635 56.100 -0.051 0.000 1.116 387 R CB -0.112 30.159 30.300 -0.048 0.000 1.135 387 R HN 0.590 nan 8.270 nan 0.000 0.529 388 H N 2.774 121.789 119.070 -0.091 0.000 2.771 388 H HA -0.022 4.568 4.556 0.055 0.000 0.364 388 H C 0.064 175.324 175.328 -0.114 0.000 1.133 388 H CA 0.395 56.401 56.048 -0.070 0.000 1.423 388 H CB 0.632 30.400 29.762 0.009 0.000 1.425 388 H HN 0.281 nan 8.280 nan 0.000 0.606 389 F N 1.443 121.471 119.950 0.130 0.000 2.529 389 F HA -0.059 4.502 4.527 0.055 0.000 0.365 389 F C 1.820 177.675 175.800 0.092 0.000 1.102 389 F CA 0.110 58.161 58.000 0.085 0.000 1.271 389 F CB 0.595 39.627 39.000 0.053 0.000 1.120 389 F HN 0.537 nan 8.300 nan 0.000 0.579 390 E N 1.752 122.099 120.200 0.244 0.000 2.299 390 E HA -0.091 4.296 4.350 0.062 0.000 0.193 390 E C 1.132 177.815 176.600 0.138 0.000 0.998 390 E CA 0.811 57.300 56.400 0.148 0.000 0.851 390 E CB 0.216 29.974 29.700 0.097 0.000 0.795 390 E HN 0.878 nan 8.360 nan 0.000 0.492 391 Q N -1.321 118.573 119.800 0.156 0.000 2.129 391 Q HA 0.160 4.537 4.340 0.062 0.000 0.164 391 Q C 1.806 177.846 176.000 0.067 0.000 0.573 391 Q CA -0.357 55.506 55.803 0.100 0.000 0.812 391 Q CB 0.117 28.896 28.738 0.069 0.000 1.106 391 Q HN -0.042 nan 8.270 nan 0.000 0.405 392 I N 2.286 122.873 120.570 0.028 0.000 2.480 392 I HA 0.066 4.273 4.170 0.062 0.000 0.251 392 I C 1.432 177.551 176.117 0.004 0.000 1.124 392 I CA 0.721 62.023 61.300 0.003 0.000 1.444 392 I CB 0.025 38.021 38.000 -0.007 0.000 1.098 392 I HN 0.207 nan 8.210 nan 0.000 0.428 393 V N -0.566 119.282 119.914 -0.109 0.000 2.881 393 V HA 0.559 4.716 4.120 0.062 0.000 0.316 393 V C -0.351 175.706 176.094 -0.062 0.000 1.070 393 V CA -1.141 61.032 62.300 -0.212 0.000 0.976 393 V CB 2.432 33.941 31.823 -0.523 0.000 1.038 393 V HN 0.048 nan 8.190 nan 0.000 0.446 394 L N 3.720 124.906 121.223 -0.061 0.000 2.270 394 L HA 0.906 5.283 4.340 0.062 0.000 0.286 394 L C 0.320 177.234 176.870 0.074 0.000 1.059 394 L CA 1.358 56.229 54.840 0.053 0.000 0.839 394 L CB -0.082 42.003 42.059 0.043 0.000 1.221 394 L HN 1.333 nan 8.230 nan 0.000 0.431 395 G N 1.898 110.824 108.800 0.210 0.000 2.335 395 G HA2 0.400 4.397 3.960 0.062 0.000 0.291 395 G HA3 0.400 4.397 3.960 0.062 0.000 0.291 395 G C -1.112 173.904 174.900 0.193 0.000 1.261 395 G CA -0.031 45.178 45.100 0.180 0.000 0.871 395 G HN 0.577 nan 8.290 nan 0.000 0.491 396 T N -1.927 112.643 114.554 0.027 0.000 2.887 396 T HA 0.602 4.989 4.350 0.062 0.000 0.288 396 T C 0.901 175.447 174.700 -0.257 0.000 1.021 396 T CA -0.597 61.362 62.100 -0.235 0.000 1.000 396 T CB 2.470 71.131 68.868 -0.344 0.000 1.034 396 T HN 0.526 nan 8.240 nan 0.000 0.467 397 R N 0.382 120.579 120.500 -0.505 0.000 2.090 397 R HA 0.061 4.438 4.340 0.062 0.000 0.228 397 R C 0.513 176.538 176.300 -0.460 0.000 1.110 397 R CA 0.902 56.765 56.100 -0.395 0.000 0.973 397 R CB -0.076 29.996 30.300 -0.381 0.000 0.869 397 R HN 0.695 nan 8.270 nan 0.000 0.440 398 H N -1.204 117.763 119.070 -0.171 0.000 2.865 398 H HA 0.337 4.929 4.556 0.060 0.000 0.372 398 H C -1.234 173.999 175.328 -0.158 0.000 1.173 398 H CA -0.937 55.022 56.048 -0.148 0.000 1.147 398 H CB 2.310 32.010 29.762 -0.103 0.000 1.805 398 H HN -0.123 nan 8.280 nan 0.000 0.553 399 L N 3.845 125.049 121.223 -0.031 0.000 2.514 399 L HA 0.280 4.656 4.340 0.062 0.000 0.257 399 L C -2.676 174.134 176.870 -0.100 0.000 1.101 399 L CA -1.466 53.327 54.840 -0.079 0.000 0.911 399 L CB 1.323 43.325 42.059 -0.096 0.000 1.162 399 L HN 0.315 nan 8.230 nan 0.000 0.477 400 P HA 0.215 nan 4.420 nan 0.000 0.268 400 P C -0.755 176.401 177.300 -0.239 0.000 1.204 400 P CA 0.163 63.168 63.100 -0.158 0.000 0.768 400 P CB 1.261 32.892 31.700 -0.116 0.000 0.842 401 V N 1.257 120.924 119.914 -0.412 0.000 3.141 401 V HA 0.710 4.867 4.120 0.062 0.000 0.312 401 V C -0.803 174.964 176.094 -0.545 0.000 1.157 401 V CA -1.226 60.785 62.300 -0.481 0.000 1.041 401 V CB 2.085 33.543 31.823 -0.609 0.000 1.071 401 V HN 0.247 nan 8.190 nan 0.000 0.441 402 L N 1.601 122.552 121.223 -0.452 0.000 2.438 402 L HA 0.837 5.214 4.340 0.062 0.000 0.270 402 L C 0.069 176.703 176.870 -0.394 0.000 0.972 402 L CA -0.711 53.907 54.840 -0.370 0.000 0.831 402 L CB 1.966 43.889 42.059 -0.226 0.000 1.273 402 L HN 1.020 nan 8.230 nan 0.000 0.405 403 A N 1.646 124.225 122.820 -0.402 0.000 2.320 403 A HA 0.593 4.949 4.320 0.062 0.000 0.287 403 A C 1.028 178.524 177.584 -0.147 0.000 1.181 403 A CA 0.213 52.052 52.037 -0.330 0.000 0.831 403 A CB 1.040 19.820 19.000 -0.367 0.000 1.102 403 A HN 0.929 nan 8.150 nan 0.000 0.513 404 G N 1.254 109.982 108.800 -0.120 0.000 2.408 404 G HA2 0.215 4.212 3.960 0.062 0.000 0.215 404 G HA3 0.215 4.212 3.960 0.062 0.000 0.215 404 G C 0.663 175.554 174.900 -0.014 0.000 1.156 404 G CA 0.970 46.029 45.100 -0.067 0.000 0.793 404 G HN 0.671 nan 8.290 nan 0.000 0.535 405 S N -0.937 114.773 115.700 0.017 0.000 2.621 405 S HA 0.721 5.227 4.470 0.062 0.000 0.302 405 S C -0.404 174.294 174.600 0.164 0.000 1.093 405 S CA -0.127 58.110 58.200 0.061 0.000 1.017 405 S CB 2.022 65.243 63.200 0.034 0.000 1.077 405 S HN 0.840 nan 8.310 nan 0.000 0.517 406 S N 0.298 116.073 115.700 0.126 0.000 2.622 406 S HA 0.412 4.919 4.470 0.062 0.000 0.275 406 S C -3.095 171.528 174.600 0.039 0.000 1.112 406 S CA -1.014 57.265 58.200 0.132 0.000 0.837 406 S CB 0.647 64.020 63.200 0.287 0.000 1.082 406 S HN 0.303 nan 8.310 nan 0.000 0.456 407 P HA 0.113 nan 4.420 nan 0.000 0.236 407 P C 1.113 178.411 177.300 -0.004 0.000 1.172 407 P CA 0.369 63.454 63.100 -0.024 0.000 0.759 407 P CB 0.023 31.687 31.700 -0.060 0.000 0.843 408 R N -0.545 119.967 120.500 0.020 0.000 2.153 408 R HA 0.046 4.422 4.340 0.062 0.000 0.218 408 R C 0.801 177.115 176.300 0.023 0.000 1.072 408 R CA 0.490 56.605 56.100 0.025 0.000 0.990 408 R CB -0.194 30.133 30.300 0.045 0.000 0.889 408 R HN 0.469 nan 8.270 nan 0.000 0.452 409 Q N 0.680 120.496 119.800 0.026 0.000 2.311 409 Q HA 0.084 4.461 4.340 0.062 0.000 0.272 409 Q C -0.317 175.690 176.000 0.011 0.000 1.012 409 Q CA 0.433 56.249 55.803 0.020 0.000 0.891 409 Q CB 1.300 30.051 28.738 0.022 0.000 1.201 409 Q HN -0.103 nan 8.270 nan 0.000 0.391 410 S N 0.147 115.852 115.700 0.009 0.000 2.677 410 S HA 0.754 5.261 4.470 0.062 0.000 0.304 410 S C -0.759 173.844 174.600 0.004 0.000 1.108 410 S CA -0.526 57.677 58.200 0.005 0.000 0.944 410 S CB 1.444 64.647 63.200 0.005 0.000 1.127 410 S HN 0.701 nan 8.310 nan 0.000 0.511 411 A N 0.000 122.822 122.820 0.003 0.000 2.254 411 A HA 0.000 4.357 4.320 0.062 0.000 0.244 411 A CA 0.000 52.038 52.037 0.002 0.000 0.836 411 A CB 0.000 19.001 19.000 0.001 0.000 0.831 411 A HN 0.000 nan 8.150 nan 0.000 0.486