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 1kh1_1_C DATA FIRST_RESID 1 DATA SEQUENCE MKIVLAYSGG LDTSIILKWL KETYRAEVIA FTADIGQGEE VEEAREKALR DATA SEQUENCE TGASKAIALD LKEEFVRDFV FPMMRAGAVY EGYYLLGTSI ARPLIAKHLV DATA SEQUENCE RIAEEEGAEA IAHGATGKGN DQVRFELTAY ALKPDIKVIA PWREWSFQGR DATA SEQUENCE KEMIAYAEAH GIPVPXXXXX PYSMDANLLH ISYEGGVLED PWAEPPKGMF DATA SEQUENCE RMTQDPEEAP DAPEYVEVEF FEGDPVAVNG ERLSPAALLQ RLNEIGGRHG DATA SEQUENCE VGRVDIVENR FVGMKSRGVY ETPGGTILYH ARRAVESLTL DREVLHQRDM DATA SEQUENCE LSPKYAELVY YGFWYAPERE ALQAYFDHVA RSVTGVARLK LYKGNVYVVG DATA SEQUENCE RKAPKSLYRQ DLVSFXXXXG YDQKDAEGFI KIQALRLRVR ALVER VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.003 0.000 1.140 1 M CA 0.000 55.306 55.300 0.011 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 K N 1.457 121.849 120.400 -0.015 0.000 2.207 2 K HA 0.866 5.186 4.320 0.001 0.000 0.255 2 K C -1.342 175.231 176.600 -0.044 0.000 0.941 2 K CA -0.658 55.615 56.287 -0.023 0.000 0.825 2 K CB 2.475 34.964 32.500 -0.018 0.000 1.119 2 K HN 0.621 nan 8.250 nan 0.000 0.430 3 I N 2.142 122.682 120.570 -0.049 0.000 2.512 3 I HA 0.168 4.338 4.170 0.001 0.000 0.287 3 I C -0.715 175.377 176.117 -0.043 0.000 1.069 3 I CA -1.197 60.060 61.300 -0.073 0.000 1.056 3 I CB 2.173 40.102 38.000 -0.118 0.000 1.229 3 I HN 0.209 nan 8.210 nan 0.000 0.429 4 V N 6.482 126.373 119.914 -0.039 0.000 2.408 4 V HA 0.259 4.379 4.120 0.001 0.000 0.267 4 V C -0.145 175.958 176.094 0.014 0.000 1.047 4 V CA -0.406 61.890 62.300 -0.006 0.000 0.937 4 V CB 1.287 33.096 31.823 -0.023 0.000 0.999 4 V HN 0.410 nan 8.190 nan 0.000 0.472 5 L N 5.386 126.645 121.223 0.060 0.000 2.307 5 L HA 0.801 5.142 4.340 0.001 0.000 0.284 5 L C 0.548 177.522 176.870 0.172 0.000 1.023 5 L CA -0.336 54.553 54.840 0.080 0.000 0.810 5 L CB 1.441 43.547 42.059 0.079 0.000 1.231 5 L HN 0.668 nan 8.230 nan 0.000 0.423 6 A N 5.009 127.905 122.820 0.127 0.000 2.666 6 A HA 0.211 4.532 4.320 0.001 0.000 0.301 6 A C -1.009 176.652 177.584 0.129 0.000 1.470 6 A CA -0.101 52.027 52.037 0.152 0.000 1.159 6 A CB -1.101 17.927 19.000 0.048 0.000 1.116 6 A HN 0.666 nan 8.150 nan 0.000 0.548 7 Y N 2.898 123.204 120.300 0.011 0.000 2.330 7 Y HA 0.392 4.942 4.550 0.001 0.000 0.336 7 Y C 1.139 177.008 175.900 -0.050 0.000 1.036 7 Y CA -0.188 57.909 58.100 -0.004 0.000 1.125 7 Y CB 1.681 40.150 38.460 0.015 0.000 1.194 7 Y HN 0.562 nan 8.280 nan 0.000 0.469 8 S N 2.191 117.519 115.700 -0.620 0.000 2.559 8 S HA 0.330 4.800 4.470 0.001 0.000 0.226 8 S C 1.336 175.561 174.600 -0.626 0.000 1.000 8 S CA 0.196 58.103 58.200 -0.487 0.000 0.948 8 S CB 0.165 63.203 63.200 -0.271 0.000 0.870 8 S HN 1.565 nan 8.310 nan 0.000 0.497 9 G N 0.830 108.867 108.800 -1.271 0.000 2.253 9 G HA2 -0.160 3.800 3.960 0.001 0.000 0.251 9 G HA3 -0.160 3.800 3.960 0.001 0.000 0.251 9 G C 0.652 175.368 174.900 -0.307 0.000 0.998 9 G CA -0.038 44.655 45.100 -0.678 0.000 0.621 9 G HN 1.131 nan 8.290 nan 0.000 0.524 10 G N -0.515 108.117 108.800 -0.281 0.000 2.716 10 G HA2 0.487 4.447 3.960 0.001 0.000 0.251 10 G HA3 0.487 4.447 3.960 0.001 0.000 0.251 10 G C 1.217 176.109 174.900 -0.014 0.000 1.224 10 G CA 0.272 45.310 45.100 -0.103 0.000 0.891 10 G HN 0.961 nan 8.290 nan 0.000 0.561 11 L N -0.354 120.886 121.223 0.029 0.000 1.989 11 L HA -0.065 4.276 4.340 0.001 0.000 0.211 11 L C 2.287 179.225 176.870 0.114 0.000 1.071 11 L CA 2.475 57.354 54.840 0.065 0.000 0.749 11 L CB -0.633 41.455 42.059 0.048 0.000 0.890 11 L HN 0.524 nan 8.230 nan 0.000 0.431 12 D N -0.818 119.672 120.400 0.150 0.000 2.104 12 D HA -0.175 4.465 4.640 0.001 0.000 0.194 12 D C 2.199 178.659 176.300 0.266 0.000 0.994 12 D CA 2.067 56.218 54.000 0.251 0.000 0.830 12 D CB -0.546 40.498 40.800 0.406 0.000 0.959 12 D HN 0.586 nan 8.370 nan 0.000 0.452 13 T N -2.112 112.562 114.554 0.200 0.000 2.995 13 T HA -0.009 4.342 4.350 0.001 0.000 0.269 13 T C 2.074 177.002 174.700 0.380 0.000 1.091 13 T CA 0.994 63.234 62.100 0.234 0.000 1.128 13 T CB -0.142 68.778 68.868 0.086 0.000 0.891 13 T HN -0.103 nan 8.240 nan 0.000 0.492 14 S N 1.326 117.234 115.700 0.346 0.000 2.371 14 S HA 0.174 4.644 4.470 0.001 0.000 0.224 14 S C 1.947 176.709 174.600 0.270 0.000 1.029 14 S CA 0.729 59.165 58.200 0.392 0.000 0.978 14 S CB -0.395 62.974 63.200 0.281 0.000 0.833 14 S HN 0.466 nan 8.310 nan 0.000 0.466 15 I N 1.439 122.158 120.570 0.247 0.000 2.208 15 I HA -0.202 3.968 4.170 0.001 0.000 0.245 15 I C 2.030 178.384 176.117 0.396 0.000 1.097 15 I CA 1.245 62.715 61.300 0.283 0.000 1.363 15 I CB -0.402 37.695 38.000 0.162 0.000 1.051 15 I HN 0.257 nan 8.210 nan 0.000 0.413 16 I N 0.423 121.223 120.570 0.383 0.000 2.163 16 I HA -0.336 3.834 4.170 0.001 0.000 0.243 16 I C 2.593 178.927 176.117 0.363 0.000 1.085 16 I CA 1.434 62.966 61.300 0.387 0.000 1.347 16 I CB -0.282 37.847 38.000 0.215 0.000 1.044 16 I HN 0.267 nan 8.210 nan 0.000 0.408 17 L N 0.698 122.080 121.223 0.266 0.000 2.012 17 L HA -0.267 4.073 4.340 0.001 0.000 0.210 17 L C 2.698 179.661 176.870 0.156 0.000 1.073 17 L CA 1.654 56.588 54.840 0.156 0.000 0.748 17 L CB -0.299 41.779 42.059 0.033 0.000 0.891 17 L HN 0.169 nan 8.230 nan 0.000 0.431 18 K N -0.742 119.762 120.400 0.172 0.000 2.057 18 K HA -0.255 4.065 4.320 0.001 0.000 0.207 18 K C 1.727 178.441 176.600 0.189 0.000 1.049 18 K CA 1.873 58.212 56.287 0.087 0.000 0.931 18 K CB -0.799 31.656 32.500 -0.075 0.000 0.714 18 K HN 0.515 nan 8.250 nan 0.000 0.440 19 W N 1.955 123.364 121.300 0.183 0.000 2.342 19 W HA -0.150 4.510 4.660 0.001 0.000 0.297 19 W C 1.720 178.335 176.519 0.160 0.000 1.213 19 W CA 1.258 58.721 57.345 0.195 0.000 1.251 19 W CB -0.213 29.385 29.460 0.229 0.000 1.136 19 W HN -0.042 nan 8.180 nan 0.000 0.526 20 L N 0.466 121.908 121.223 0.365 0.000 2.141 20 L HA -0.225 4.116 4.340 0.001 0.000 0.209 20 L C 2.618 179.528 176.870 0.066 0.000 1.094 20 L CA 1.062 56.031 54.840 0.216 0.000 0.763 20 L CB -0.795 41.373 42.059 0.183 0.000 0.908 20 L HN -0.118 nan 8.230 nan 0.000 0.437 21 K N 0.033 120.461 120.400 0.046 0.000 1.991 21 K HA -0.181 4.139 4.320 0.001 0.000 0.207 21 K C 1.913 178.493 176.600 -0.034 0.000 1.045 21 K CA 1.128 57.423 56.287 0.014 0.000 0.937 21 K CB -0.472 32.041 32.500 0.022 0.000 0.720 21 K HN 0.257 nan 8.250 nan 0.000 0.438 22 E N 0.759 120.928 120.200 -0.052 0.000 2.097 22 E HA -0.171 4.179 4.350 0.001 0.000 0.196 22 E C 1.554 178.020 176.600 -0.224 0.000 1.000 22 E CA 1.798 58.149 56.400 -0.081 0.000 0.804 22 E CB 0.126 29.824 29.700 -0.003 0.000 0.740 22 E HN 0.258 nan 8.360 nan 0.000 0.454 23 T N -0.593 113.694 114.554 -0.444 0.000 2.781 23 T HA -0.076 4.274 4.350 0.001 0.000 0.252 23 T C 1.492 175.895 174.700 -0.496 0.000 1.039 23 T CA 1.221 62.936 62.100 -0.643 0.000 1.147 23 T CB -0.469 67.592 68.868 -1.344 0.000 0.865 23 T HN 0.236 nan 8.240 nan 0.000 0.423 24 Y N 0.855 120.966 120.300 -0.316 0.000 2.482 24 Y HA 0.339 4.889 4.550 0.001 0.000 0.270 24 Y C 0.907 176.738 175.900 -0.114 0.000 1.152 24 Y CA -0.366 57.630 58.100 -0.174 0.000 1.292 24 Y CB -0.131 38.255 38.460 -0.123 0.000 1.070 24 Y HN -0.001 nan 8.280 nan 0.000 0.528 25 R N -0.039 120.463 120.500 0.004 0.000 3.322 25 R HA -0.181 4.160 4.340 0.001 0.000 0.253 25 R C -0.248 176.070 176.300 0.030 0.000 0.987 25 R CA 0.498 56.598 56.100 -0.000 0.000 0.666 25 R CB -1.784 28.503 30.300 -0.021 0.000 1.072 25 R HN 0.263 nan 8.270 nan 0.000 0.447 26 A N 0.742 123.592 122.820 0.049 0.000 2.311 26 A HA 0.424 4.745 4.320 0.001 0.000 0.334 26 A C 0.059 177.650 177.584 0.011 0.000 1.139 26 A CA -0.659 51.398 52.037 0.033 0.000 0.830 26 A CB 1.104 20.122 19.000 0.030 0.000 1.234 26 A HN 0.347 nan 8.150 nan 0.000 0.483 27 E N 1.141 121.342 120.200 0.002 0.000 2.217 27 E HA 0.397 4.747 4.350 0.001 0.000 0.279 27 E C -1.221 175.373 176.600 -0.011 0.000 1.068 27 E CA -0.229 56.168 56.400 -0.004 0.000 0.882 27 E CB 0.534 30.232 29.700 -0.005 0.000 1.039 27 E HN 0.323 nan 8.360 nan 0.000 0.418 28 V N 6.928 126.834 119.914 -0.013 0.000 2.350 28 V HA 0.208 4.328 4.120 0.001 0.000 0.276 28 V C 0.029 176.110 176.094 -0.021 0.000 1.028 28 V CA -0.755 61.534 62.300 -0.019 0.000 0.860 28 V CB 1.104 32.916 31.823 -0.019 0.000 0.990 28 V HN 0.638 nan 8.190 nan 0.000 0.453 29 I N 4.730 125.296 120.570 -0.008 0.000 2.297 29 I HA 0.492 4.663 4.170 0.001 0.000 0.291 29 I C 0.665 176.807 176.117 0.042 0.000 1.033 29 I CA -0.232 61.075 61.300 0.012 0.000 1.253 29 I CB 0.994 39.005 38.000 0.017 0.000 1.396 29 I HN 0.627 nan 8.210 nan 0.000 0.476 30 A N 7.055 129.894 122.820 0.031 0.000 2.363 30 A HA 0.590 4.910 4.320 0.001 0.000 0.270 30 A C -0.939 176.779 177.584 0.223 0.000 1.121 30 A CA -0.192 51.891 52.037 0.077 0.000 0.800 30 A CB 0.516 19.457 19.000 -0.099 0.000 1.052 30 A HN 0.541 nan 8.150 nan 0.000 0.493 31 F N 1.898 121.907 119.950 0.099 0.000 2.507 31 F HA 0.600 5.127 4.527 0.001 0.000 0.328 31 F C -0.435 175.419 175.800 0.090 0.000 1.136 31 F CA -0.257 57.791 58.000 0.080 0.000 0.930 31 F CB 2.070 41.106 39.000 0.059 0.000 1.166 31 F HN 0.433 nan 8.300 nan 0.000 0.436 32 T N 5.643 119.839 114.554 -0.597 0.000 2.841 32 T HA 0.798 5.148 4.350 0.001 0.000 0.285 32 T C -0.785 173.404 174.700 -0.852 0.000 0.991 32 T CA -0.560 61.185 62.100 -0.592 0.000 0.966 32 T CB 1.314 70.053 68.868 -0.216 0.000 0.962 32 T HN 0.787 nan 8.240 nan 0.000 0.438 33 A N 2.309 124.646 122.820 -0.805 0.000 2.342 33 A HA 0.674 4.994 4.320 0.001 0.000 0.323 33 A C -0.659 176.727 177.584 -0.330 0.000 1.125 33 A CA -0.775 50.919 52.037 -0.573 0.000 0.785 33 A CB 0.925 19.612 19.000 -0.522 0.000 1.221 33 A HN 0.731 nan 8.150 nan 0.000 0.463 34 D N 2.353 122.617 120.400 -0.227 0.000 2.396 34 D HA 0.363 5.004 4.640 0.001 0.000 0.225 34 D C 0.404 176.608 176.300 -0.160 0.000 1.121 34 D CA -0.276 53.625 54.000 -0.164 0.000 0.853 34 D CB 0.232 40.970 40.800 -0.103 0.000 1.043 34 D HN 0.433 nan 8.370 nan 0.000 0.500 35 I N 0.733 121.176 120.570 -0.212 0.000 3.877 35 I HA 0.531 4.701 4.170 0.001 0.000 0.332 35 I C 0.925 176.958 176.117 -0.141 0.000 1.525 35 I CA -0.644 60.497 61.300 -0.265 0.000 1.146 35 I CB 0.221 37.841 38.000 -0.633 0.000 1.137 35 I HN 0.467 nan 8.210 nan 0.000 0.424 36 G N 2.070 110.825 108.800 -0.076 0.000 2.164 36 G HA2 -0.240 3.720 3.960 0.001 0.000 0.212 36 G HA3 -0.240 3.720 3.960 0.001 0.000 0.212 36 G C 0.294 175.178 174.900 -0.026 0.000 1.031 36 G CA 0.245 45.335 45.100 -0.017 0.000 0.730 36 G HN 0.515 nan 8.290 nan 0.000 0.501 37 Q N -0.380 119.381 119.800 -0.065 0.000 2.378 37 Q HA 0.400 4.741 4.340 0.001 0.000 0.205 37 Q C 2.179 178.157 176.000 -0.037 0.000 0.954 37 Q CA 1.571 57.338 55.803 -0.060 0.000 0.901 37 Q CB 0.147 28.829 28.738 -0.093 0.000 0.981 37 Q HN 1.779 nan 8.270 nan 0.000 0.483 38 G N 0.566 109.349 108.800 -0.029 0.000 2.136 38 G HA2 -0.306 3.654 3.960 0.001 0.000 0.242 38 G HA3 -0.306 3.654 3.960 0.001 0.000 0.242 38 G C -0.207 174.679 174.900 -0.024 0.000 0.989 38 G CA 0.370 45.461 45.100 -0.016 0.000 0.682 38 G HN 0.500 nan 8.290 nan 0.000 0.522 39 E N -0.613 119.562 120.200 -0.041 0.000 2.243 39 E HA 0.687 5.037 4.350 0.001 0.000 0.260 39 E C -0.234 176.341 176.600 -0.041 0.000 0.985 39 E CA -1.031 55.343 56.400 -0.044 0.000 0.858 39 E CB 1.080 30.741 29.700 -0.065 0.000 1.210 39 E HN 0.059 nan 8.360 nan 0.000 0.411 40 E N 1.228 121.408 120.200 -0.034 0.000 2.026 40 E HA 0.115 4.466 4.350 0.001 0.000 0.253 40 E C 0.038 176.617 176.600 -0.034 0.000 1.056 40 E CA -0.371 56.013 56.400 -0.027 0.000 0.927 40 E CB 0.341 30.033 29.700 -0.014 0.000 1.172 40 E HN 0.520 nan 8.360 nan 0.000 0.445 41 V N 3.153 123.036 119.914 -0.052 0.000 2.511 41 V HA -0.296 3.824 4.120 0.001 0.000 0.257 41 V C 1.981 178.055 176.094 -0.032 0.000 1.088 41 V CA 2.201 64.461 62.300 -0.066 0.000 1.098 41 V CB -0.528 31.238 31.823 -0.096 0.000 0.674 41 V HN 0.568 nan 8.190 nan 0.000 0.470 42 E N 0.267 120.457 120.200 -0.016 0.000 2.106 42 E HA -0.180 4.170 4.350 0.001 0.000 0.192 42 E C 2.143 178.753 176.600 0.016 0.000 0.984 42 E CA 1.354 57.756 56.400 0.003 0.000 0.806 42 E CB -0.170 29.532 29.700 0.004 0.000 0.750 42 E HN 0.695 nan 8.360 nan 0.000 0.458 43 E N -0.319 119.887 120.200 0.010 0.000 2.072 43 E HA -0.153 4.197 4.350 0.001 0.000 0.191 43 E C 1.995 178.623 176.600 0.046 0.000 0.985 43 E CA 0.923 57.336 56.400 0.021 0.000 0.801 43 E CB -0.176 29.529 29.700 0.009 0.000 0.750 43 E HN 0.342 nan 8.360 nan 0.000 0.452 44 A N 1.472 124.313 122.820 0.035 0.000 1.902 44 A HA -0.219 4.102 4.320 0.001 0.000 0.217 44 A C 2.091 179.800 177.584 0.208 0.000 1.181 44 A CA 1.483 53.571 52.037 0.084 0.000 0.623 44 A CB -0.447 18.533 19.000 -0.034 0.000 0.818 44 A HN 0.073 nan 8.150 nan 0.000 0.443 45 R N -0.178 120.391 120.500 0.115 0.000 2.091 45 R HA -0.173 4.168 4.340 0.001 0.000 0.238 45 R C 2.028 178.374 176.300 0.076 0.000 1.136 45 R CA 1.888 58.049 56.100 0.101 0.000 0.959 45 R CB -0.243 30.089 30.300 0.054 0.000 0.856 45 R HN 0.711 nan 8.270 nan 0.000 0.437 46 E N -0.050 120.188 120.200 0.063 0.000 2.107 46 E HA -0.191 4.160 4.350 0.001 0.000 0.191 46 E C 1.931 178.562 176.600 0.051 0.000 0.982 46 E CA 0.932 57.358 56.400 0.043 0.000 0.809 46 E CB 0.006 29.726 29.700 0.034 0.000 0.756 46 E HN 0.259 nan 8.360 nan 0.000 0.459 47 K N 1.081 121.539 120.400 0.096 0.000 2.057 47 K HA -0.158 4.163 4.320 0.001 0.000 0.207 47 K C 2.176 178.814 176.600 0.064 0.000 1.049 47 K CA 1.178 57.536 56.287 0.118 0.000 0.931 47 K CB -0.121 32.499 32.500 0.199 0.000 0.714 47 K HN 0.084 nan 8.250 nan 0.000 0.440 48 A N 1.278 124.104 122.820 0.010 0.000 1.908 48 A HA -0.167 4.153 4.320 0.001 0.000 0.218 48 A C 2.102 179.574 177.584 -0.186 0.000 1.181 48 A CA 1.476 53.299 52.037 -0.357 0.000 0.627 48 A CB -0.629 18.093 19.000 -0.463 0.000 0.818 48 A HN 0.343 nan 8.150 nan 0.000 0.445 49 L N -1.442 119.735 121.223 -0.077 0.000 2.093 49 L HA -0.124 4.216 4.340 0.001 0.000 0.208 49 L C 2.777 179.627 176.870 -0.034 0.000 1.085 49 L CA 1.516 56.328 54.840 -0.047 0.000 0.755 49 L CB -0.384 41.665 42.059 -0.017 0.000 0.904 49 L HN 0.431 nan 8.230 nan 0.000 0.435 50 R N -0.396 120.093 120.500 -0.018 0.000 2.115 50 R HA -0.117 4.223 4.340 0.001 0.000 0.230 50 R C 1.807 178.104 176.300 -0.006 0.000 1.111 50 R CA 1.629 57.728 56.100 -0.002 0.000 0.976 50 R CB -0.045 30.265 30.300 0.018 0.000 0.870 50 R HN 0.242 nan 8.270 nan 0.000 0.445 51 T N -1.440 113.098 114.554 -0.027 0.000 3.113 51 T HA 0.162 4.512 4.350 0.001 0.000 0.256 51 T C 0.964 175.643 174.700 -0.035 0.000 1.131 51 T CA 0.866 62.952 62.100 -0.023 0.000 1.074 51 T CB 0.774 69.621 68.868 -0.035 0.000 0.944 51 T HN 0.585 nan 8.240 nan 0.000 0.516 52 G N 0.959 109.729 108.800 -0.050 0.000 2.367 52 G HA2 0.048 4.008 3.960 0.001 0.000 0.181 52 G HA3 0.048 4.008 3.960 0.001 0.000 0.181 52 G C 0.325 175.194 174.900 -0.053 0.000 1.000 52 G CA -0.322 44.756 45.100 -0.036 0.000 0.693 52 G HN 0.745 nan 8.290 nan 0.000 0.480 53 A N 1.180 123.942 122.820 -0.098 0.000 2.567 53 A HA 0.524 4.845 4.320 0.001 0.000 0.240 53 A C 1.739 179.293 177.584 -0.050 0.000 1.053 53 A CA 1.490 53.470 52.037 -0.094 0.000 0.755 53 A CB 0.270 19.178 19.000 -0.154 0.000 0.978 53 A HN 1.695 nan 8.150 nan 0.000 0.507 54 S N 1.199 116.880 115.700 -0.032 0.000 2.562 54 S HA 0.140 4.610 4.470 0.001 0.000 0.221 54 S C 0.464 175.057 174.600 -0.011 0.000 0.975 54 S CA 0.874 59.063 58.200 -0.017 0.000 0.918 54 S CB -0.174 63.019 63.200 -0.011 0.000 0.772 54 S HN 0.826 nan 8.310 nan 0.000 0.531 55 K N -0.295 120.098 120.400 -0.013 0.000 2.583 55 K HA 0.563 4.884 4.320 0.001 0.000 0.260 55 K C -2.228 174.378 176.600 0.010 0.000 0.931 55 K CA -0.350 55.940 56.287 0.003 0.000 0.849 55 K CB 1.599 34.107 32.500 0.013 0.000 1.347 55 K HN 0.137 nan 8.250 nan 0.000 0.425 56 A N 4.987 127.822 122.820 0.025 0.000 2.343 56 A HA 0.699 5.020 4.320 0.001 0.000 0.308 56 A C -1.092 176.542 177.584 0.082 0.000 1.092 56 A CA -0.731 51.334 52.037 0.046 0.000 0.751 56 A CB 0.535 19.549 19.000 0.024 0.000 1.203 56 A HN 0.606 nan 8.150 nan 0.000 0.452 57 I N 1.983 122.637 120.570 0.141 0.000 2.406 57 I HA 0.608 4.778 4.170 0.001 0.000 0.290 57 I C 0.290 176.511 176.117 0.173 0.000 0.999 57 I CA -0.428 60.983 61.300 0.186 0.000 1.124 57 I CB 2.118 40.284 38.000 0.278 0.000 1.289 57 I HN 0.712 nan 8.210 nan 0.000 0.441 58 A N 8.018 130.898 122.820 0.101 0.000 2.335 58 A HA 0.855 5.175 4.320 0.001 0.000 0.304 58 A C -0.995 176.608 177.584 0.031 0.000 1.118 58 A CA -0.404 51.637 52.037 0.007 0.000 0.757 58 A CB 0.876 19.871 19.000 -0.009 0.000 1.188 58 A HN 0.665 nan 8.150 nan 0.000 0.460 59 L N 1.389 122.609 121.223 -0.005 0.000 2.354 59 L HA 0.481 4.821 4.340 0.001 0.000 0.269 59 L C -0.765 176.080 176.870 -0.042 0.000 1.005 59 L CA -0.996 53.862 54.840 0.030 0.000 0.819 59 L CB 2.196 44.333 42.059 0.130 0.000 1.311 59 L HN 0.695 nan 8.230 nan 0.000 0.423 60 D N 2.604 122.996 120.400 -0.012 0.000 2.380 60 D HA 0.297 4.937 4.640 0.001 0.000 0.230 60 D C 0.032 176.325 176.300 -0.012 0.000 1.154 60 D CA -0.003 53.984 54.000 -0.022 0.000 0.859 60 D CB 0.973 41.773 40.800 0.000 0.000 1.045 60 D HN 0.394 nan 8.370 nan 0.000 0.495 61 L N 3.533 124.731 121.223 -0.042 0.000 2.910 61 L HA 0.205 4.545 4.340 0.001 0.000 0.252 61 L C 1.839 178.736 176.870 0.044 0.000 1.195 61 L CA -0.315 54.517 54.840 -0.014 0.000 1.003 61 L CB 0.221 42.219 42.059 -0.101 0.000 1.328 61 L HN 0.193 nan 8.230 nan 0.000 0.540 62 K N 0.656 121.080 120.400 0.039 0.000 2.020 62 K HA -0.195 4.125 4.320 0.001 0.000 0.212 62 K C 1.999 178.660 176.600 0.100 0.000 1.050 62 K CA 1.557 57.899 56.287 0.091 0.000 0.929 62 K CB 0.090 32.622 32.500 0.052 0.000 0.714 62 K HN 0.175 nan 8.250 nan 0.000 0.443 63 E N 0.437 120.668 120.200 0.052 0.000 2.038 63 E HA -0.237 4.114 4.350 0.001 0.000 0.195 63 E C 2.069 178.694 176.600 0.041 0.000 1.000 63 E CA 1.106 57.514 56.400 0.014 0.000 0.803 63 E CB -0.188 29.523 29.700 0.019 0.000 0.750 63 E HN 0.413 nan 8.360 nan 0.000 0.448 64 E N -0.124 120.150 120.200 0.123 0.000 2.085 64 E HA -0.195 4.156 4.350 0.001 0.000 0.194 64 E C 2.011 178.807 176.600 0.328 0.000 0.994 64 E CA 0.714 57.245 56.400 0.218 0.000 0.801 64 E CB -0.177 29.693 29.700 0.284 0.000 0.743 64 E HN 0.120 nan 8.360 nan 0.000 0.453 65 F N 1.045 121.044 119.950 0.081 0.000 2.069 65 F HA -0.205 4.322 4.527 0.000 0.000 0.298 65 F C 2.023 177.844 175.800 0.036 0.000 1.113 65 F CA 1.409 59.427 58.000 0.030 0.000 1.214 65 F CB -0.641 38.297 39.000 -0.104 0.000 0.978 65 F HN -0.123 nan 8.300 nan 0.000 0.474 66 V N 1.080 120.815 119.914 -0.299 0.000 2.453 66 V HA -0.180 3.940 4.120 0.001 0.000 0.247 66 V C 2.564 178.245 176.094 -0.688 0.000 1.048 66 V CA 2.024 63.963 62.300 -0.601 0.000 1.049 66 V CB -0.837 30.653 31.823 -0.555 0.000 0.672 66 V HN 0.357 nan 8.190 nan 0.000 0.457 67 R N 0.165 120.398 120.500 -0.444 0.000 2.100 67 R HA -0.090 4.250 4.340 0.001 0.000 0.220 67 R C 1.437 177.698 176.300 -0.065 0.000 1.091 67 R CA 1.618 57.519 56.100 -0.332 0.000 0.986 67 R CB -0.052 30.152 30.300 -0.160 0.000 0.888 67 R HN 0.418 nan 8.270 nan 0.000 0.444 68 D N -1.134 119.272 120.400 0.010 0.000 2.360 68 D HA 0.072 4.712 4.640 0.001 0.000 0.210 68 D C 0.469 176.552 176.300 -0.360 0.000 1.047 68 D CA 0.537 54.485 54.000 -0.086 0.000 0.854 68 D CB 0.435 41.190 40.800 -0.075 0.000 0.936 68 D HN 0.206 nan 8.370 nan 0.000 0.514 69 F N -0.904 119.012 119.950 -0.057 0.000 2.347 69 F HA 0.071 4.598 4.527 0.000 0.000 0.266 69 F C 2.150 177.773 175.800 -0.295 0.000 0.884 69 F CA -0.067 57.779 58.000 -0.256 0.000 1.123 69 F CB -0.387 38.400 39.000 -0.354 0.000 1.098 69 F HN -0.268 nan 8.300 nan 0.000 0.803 70 V N 0.663 120.441 119.914 -0.227 0.000 2.261 70 V HA -0.271 3.849 4.120 0.001 0.000 0.246 70 V C 2.242 178.395 176.094 0.098 0.000 1.047 70 V CA 1.806 63.971 62.300 -0.226 0.000 1.015 70 V CB -0.631 30.916 31.823 -0.460 0.000 0.642 70 V HN 0.163 nan 8.190 nan 0.000 0.446 71 F N 0.259 120.152 119.950 -0.096 0.000 2.095 71 F HA -0.049 4.478 4.527 0.001 0.000 0.298 71 F C 0.205 176.013 175.800 0.014 0.000 1.104 71 F CA 1.173 59.152 58.000 -0.035 0.000 1.232 71 F CB -2.549 36.437 39.000 -0.022 0.000 0.987 71 F HN 0.275 nan 8.300 nan 0.000 0.475 72 P HA -0.207 nan 4.420 nan 0.000 0.216 72 P C 2.121 179.559 177.300 0.230 0.000 1.150 72 P CA 1.634 64.881 63.100 0.246 0.000 0.837 72 P CB -0.229 31.681 31.700 0.350 0.000 0.786 73 M N -1.924 117.855 119.600 0.298 0.000 2.200 73 M HA -0.091 4.390 4.480 0.001 0.000 0.265 73 M C 1.816 178.124 176.300 0.014 0.000 1.066 73 M CA 1.794 57.265 55.300 0.286 0.000 1.127 73 M CB -0.367 32.389 32.600 0.260 0.000 1.379 73 M HN -0.146 nan 8.290 nan 0.000 0.420 74 M N -0.386 119.220 119.600 0.011 0.000 2.175 74 M HA -0.138 4.342 4.480 0.001 0.000 0.264 74 M C 2.104 178.317 176.300 -0.145 0.000 1.063 74 M CA 1.533 56.805 55.300 -0.046 0.000 1.119 74 M CB -0.495 32.103 32.600 -0.004 0.000 1.377 74 M HN 0.260 nan 8.290 nan 0.000 0.415 75 R N 0.462 120.878 120.500 -0.141 0.000 2.117 75 R HA -0.128 4.212 4.340 0.001 0.000 0.243 75 R C 2.115 178.210 176.300 -0.342 0.000 1.143 75 R CA 1.547 57.538 56.100 -0.181 0.000 0.968 75 R CB -0.529 29.708 30.300 -0.104 0.000 0.863 75 R HN 0.377 nan 8.270 nan 0.000 0.444 76 A N 0.118 122.562 122.820 -0.627 0.000 2.206 76 A HA 0.154 4.474 4.320 0.001 0.000 0.211 76 A C 1.387 178.447 177.584 -0.872 0.000 1.158 76 A CA 0.745 51.960 52.037 -1.369 0.000 0.761 76 A CB -0.199 17.370 19.000 -2.386 0.000 0.801 76 A HN 0.456 nan 8.150 nan 0.000 0.473 77 G N -1.207 107.332 108.800 -0.436 0.000 2.221 77 G HA2 0.050 4.011 3.960 0.001 0.000 0.265 77 G HA3 0.050 4.011 3.960 0.001 0.000 0.265 77 G C 0.368 175.210 174.900 -0.097 0.000 1.041 77 G CA 0.400 45.367 45.100 -0.221 0.000 0.807 77 G HN 1.627 nan 8.290 nan 0.000 0.502 78 A N -0.499 122.248 122.820 -0.121 0.000 2.515 78 A HA 0.566 4.886 4.320 0.001 0.000 0.263 78 A C 0.407 178.001 177.584 0.018 0.000 1.096 78 A CA 0.710 52.754 52.037 0.011 0.000 0.769 78 A CB 0.664 19.758 19.000 0.157 0.000 1.040 78 A HN 1.347 nan 8.150 nan 0.000 0.505 79 V N 4.285 124.206 119.914 0.012 0.000 2.532 79 V HA 0.145 4.265 4.120 0.001 0.000 0.294 79 V C -0.939 175.154 176.094 -0.003 0.000 1.036 79 V CA -0.519 61.752 62.300 -0.047 0.000 0.876 79 V CB 1.156 32.903 31.823 -0.127 0.000 1.012 79 V HN 0.798 nan 8.190 nan 0.000 0.432 80 Y N 3.946 124.187 120.300 -0.098 0.000 2.436 80 Y HA 0.285 4.835 4.550 0.001 0.000 0.336 80 Y C 1.207 177.068 175.900 -0.064 0.000 1.049 80 Y CA -0.092 57.953 58.100 -0.092 0.000 1.294 80 Y CB 0.328 38.739 38.460 -0.083 0.000 1.179 80 Y HN 0.873 nan 8.280 nan 0.000 0.520 81 E N 4.132 123.961 120.200 -0.618 0.000 2.199 81 E HA -0.306 4.044 4.350 0.001 0.000 0.208 81 E C 1.190 177.660 176.600 -0.216 0.000 1.310 81 E CA 0.617 56.753 56.400 -0.441 0.000 0.709 81 E CB -1.479 27.907 29.700 -0.522 0.000 1.127 81 E HN 1.194 nan 8.360 nan 0.000 0.354 82 G N -1.343 107.291 108.800 -0.276 0.000 2.302 82 G HA2 -0.412 3.549 3.960 0.001 0.000 0.263 82 G HA3 -0.412 3.549 3.960 0.001 0.000 0.263 82 G C 0.510 174.982 174.900 -0.714 0.000 0.995 82 G CA 1.187 45.990 45.100 -0.495 0.000 0.622 82 G HN 0.497 nan 8.290 nan 0.000 0.538 83 Y N -2.799 117.474 120.300 -0.045 0.000 2.498 83 Y HA 0.377 4.928 4.550 0.000 0.000 0.278 83 Y C 0.822 176.742 175.900 0.033 0.000 1.148 83 Y CA -0.532 57.556 58.100 -0.021 0.000 1.126 83 Y CB 0.284 38.763 38.460 0.032 0.000 1.320 83 Y HN 0.165 nan 8.280 nan 0.000 0.538 84 Y N 3.055 123.388 120.300 0.056 0.000 2.496 84 Y HA 0.203 4.754 4.550 0.001 0.000 0.334 84 Y C 0.572 176.424 175.900 -0.080 0.000 1.080 84 Y CA -0.802 57.259 58.100 -0.065 0.000 1.355 84 Y CB 0.434 38.859 38.460 -0.058 0.000 1.193 84 Y HN 0.113 nan 8.280 nan 0.000 0.523 85 L N 7.398 128.396 121.223 -0.374 0.000 2.627 85 L HA 0.057 4.398 4.340 0.001 0.000 0.232 85 L C 0.500 176.958 176.870 -0.686 0.000 1.150 85 L CA 0.039 54.634 54.840 -0.408 0.000 0.917 85 L CB -0.454 41.481 42.059 -0.208 0.000 1.104 85 L HN 0.793 nan 8.230 nan 0.000 0.445 86 L N -0.327 119.988 121.223 -1.513 0.000 3.717 86 L HA -0.269 4.072 4.340 0.001 0.000 0.414 86 L C 1.745 178.171 176.870 -0.741 0.000 1.228 86 L CA 0.157 54.250 54.840 -1.244 0.000 0.918 86 L CB -1.978 39.766 42.059 -0.526 0.000 1.865 86 L HN 0.421 nan 8.230 nan 0.000 0.922 87 G N -0.818 107.459 108.800 -0.871 0.000 2.440 87 G HA2 -0.233 3.727 3.960 0.001 0.000 0.218 87 G HA3 -0.233 3.727 3.960 0.001 0.000 0.218 87 G C 1.269 175.842 174.900 -0.545 0.000 1.154 87 G CA 1.492 45.931 45.100 -1.103 0.000 0.767 87 G HN 0.442 nan 8.290 nan 0.000 0.552 88 T N 0.807 115.293 114.554 -0.112 0.000 2.896 88 T HA -0.004 4.346 4.350 0.001 0.000 0.263 88 T C 2.866 177.516 174.700 -0.083 0.000 1.050 88 T CA 1.194 63.343 62.100 0.082 0.000 1.140 88 T CB -0.161 68.859 68.868 0.254 0.000 0.877 88 T HN 0.243 nan 8.240 nan 0.000 0.457 89 S N 2.222 117.863 115.700 -0.097 0.000 2.351 89 S HA -0.123 4.347 4.470 0.001 0.000 0.220 89 S C 2.031 176.491 174.600 -0.233 0.000 1.035 89 S CA 1.574 59.665 58.200 -0.183 0.000 1.031 89 S CB -0.468 62.638 63.200 -0.157 0.000 0.928 89 S HN 0.617 nan 8.310 nan 0.000 0.433 90 I N 1.276 121.708 120.570 -0.230 0.000 2.916 90 I HA 0.111 4.282 4.170 0.001 0.000 0.267 90 I C 1.986 177.977 176.117 -0.210 0.000 1.263 90 I CA 0.431 61.557 61.300 -0.290 0.000 1.471 90 I CB -1.072 36.760 38.000 -0.280 0.000 1.089 90 I HN 0.157 nan 8.210 nan 0.000 0.468 91 A N 1.043 123.765 122.820 -0.164 0.000 1.935 91 A HA 0.015 4.336 4.320 0.001 0.000 0.214 91 A C 2.311 179.635 177.584 -0.434 0.000 1.178 91 A CA 0.493 52.325 52.037 -0.342 0.000 0.640 91 A CB -0.292 18.446 19.000 -0.436 0.000 0.825 91 A HN 0.218 nan 8.150 nan 0.000 0.447 92 R N 0.140 120.388 120.500 -0.421 0.000 2.096 92 R HA -0.116 4.224 4.340 0.001 0.000 0.240 92 R C -0.444 175.638 176.300 -0.363 0.000 1.139 92 R CA 1.829 57.602 56.100 -0.546 0.000 0.952 92 R CB -2.421 27.440 30.300 -0.731 0.000 0.854 92 R HN 0.365 nan 8.270 nan 0.000 0.436 93 P HA -0.163 nan 4.420 nan 0.000 0.214 93 P C 1.587 178.914 177.300 0.045 0.000 1.163 93 P CA 0.853 63.968 63.100 0.024 0.000 0.889 93 P CB -0.161 31.557 31.700 0.029 0.000 0.790 94 L N -0.661 120.293 121.223 -0.447 0.000 2.043 94 L HA -0.192 4.148 4.340 0.001 0.000 0.212 94 L C 2.127 179.004 176.870 0.013 0.000 1.075 94 L CA 1.901 56.456 54.840 -0.475 0.000 0.752 94 L CB -1.293 40.201 42.059 -0.942 0.000 0.891 94 L HN -0.085 nan 8.230 nan 0.000 0.432 95 I N -0.628 119.934 120.570 -0.015 0.000 2.286 95 I HA -0.208 3.963 4.170 0.001 0.000 0.245 95 I C 2.602 178.882 176.117 0.272 0.000 1.104 95 I CA 1.044 62.465 61.300 0.202 0.000 1.397 95 I CB -0.730 37.398 38.000 0.215 0.000 1.072 95 I HN 0.334 nan 8.210 nan 0.000 0.417 96 A N 0.885 123.841 122.820 0.226 0.000 1.933 96 A HA -0.270 4.050 4.320 0.001 0.000 0.218 96 A C 2.382 180.040 177.584 0.123 0.000 1.175 96 A CA 1.954 54.120 52.037 0.216 0.000 0.628 96 A CB -0.571 18.544 19.000 0.193 0.000 0.814 96 A HN 0.358 nan 8.150 nan 0.000 0.444 97 K N -1.141 119.346 120.400 0.144 0.000 2.001 97 K HA -0.275 4.046 4.320 0.001 0.000 0.214 97 K C 1.929 178.493 176.600 -0.061 0.000 1.050 97 K CA 2.143 58.460 56.287 0.050 0.000 0.934 97 K CB -0.340 32.263 32.500 0.172 0.000 0.718 97 K HN 0.630 nan 8.250 nan 0.000 0.443 98 H N 0.255 119.298 119.070 -0.046 0.000 2.423 98 H HA -0.026 4.530 4.556 0.001 0.000 0.297 98 H C 1.921 177.022 175.328 -0.380 0.000 1.075 98 H CA 1.514 57.417 56.048 -0.241 0.000 1.342 98 H CB -0.004 29.547 29.762 -0.351 0.000 1.395 98 H HN 0.127 nan 8.280 nan 0.000 0.530 99 L N -0.635 120.511 121.223 -0.128 0.000 2.017 99 L HA -0.188 4.152 4.340 0.001 0.000 0.208 99 L C 2.267 179.072 176.870 -0.109 0.000 1.073 99 L CA 0.935 55.703 54.840 -0.119 0.000 0.745 99 L CB -0.441 41.633 42.059 0.025 0.000 0.894 99 L HN 0.176 nan 8.230 nan 0.000 0.432 100 V N -0.158 119.708 119.914 -0.079 0.000 2.343 100 V HA -0.299 3.822 4.120 0.001 0.000 0.247 100 V C 2.703 178.736 176.094 -0.102 0.000 1.051 100 V CA 1.912 64.164 62.300 -0.081 0.000 1.036 100 V CB -0.670 31.110 31.823 -0.071 0.000 0.654 100 V HN 0.468 nan 8.190 nan 0.000 0.451 101 R N -0.024 120.391 120.500 -0.141 0.000 2.073 101 R HA -0.128 4.213 4.340 0.001 0.000 0.234 101 R C 2.273 178.496 176.300 -0.128 0.000 1.134 101 R CA 1.894 57.906 56.100 -0.148 0.000 0.952 101 R CB -0.326 29.842 30.300 -0.221 0.000 0.850 101 R HN 0.466 nan 8.270 nan 0.000 0.433 102 I N 0.978 121.450 120.570 -0.164 0.000 2.286 102 I HA -0.231 3.939 4.170 0.001 0.000 0.248 102 I C 2.603 178.667 176.117 -0.088 0.000 1.115 102 I CA 1.225 62.443 61.300 -0.137 0.000 1.392 102 I CB -0.378 37.495 38.000 -0.212 0.000 1.065 102 I HN 0.292 nan 8.210 nan 0.000 0.418 103 A N 0.585 123.353 122.820 -0.086 0.000 1.933 103 A HA -0.224 4.096 4.320 0.001 0.000 0.218 103 A C 2.191 179.747 177.584 -0.046 0.000 1.175 103 A CA 1.714 53.716 52.037 -0.059 0.000 0.628 103 A CB -0.516 18.449 19.000 -0.058 0.000 0.814 103 A HN 0.466 nan 8.150 nan 0.000 0.444 104 E N -0.318 119.852 120.200 -0.050 0.000 2.047 104 E HA -0.183 4.167 4.350 0.001 0.000 0.191 104 E C 2.014 178.595 176.600 -0.032 0.000 0.987 104 E CA 1.236 57.614 56.400 -0.038 0.000 0.799 104 E CB -0.238 29.438 29.700 -0.041 0.000 0.752 104 E HN 0.718 nan 8.360 nan 0.000 0.449 105 E N 0.709 120.886 120.200 -0.038 0.000 2.085 105 E HA -0.185 4.165 4.350 0.001 0.000 0.194 105 E C 1.675 178.263 176.600 -0.020 0.000 0.994 105 E CA 0.881 57.264 56.400 -0.027 0.000 0.801 105 E CB 0.074 29.756 29.700 -0.029 0.000 0.743 105 E HN 0.173 nan 8.360 nan 0.000 0.453 106 E N -0.508 119.678 120.200 -0.023 0.000 2.489 106 E HA 0.033 4.383 4.350 0.001 0.000 0.193 106 E C 0.817 177.408 176.600 -0.015 0.000 1.057 106 E CA 0.503 56.893 56.400 -0.016 0.000 0.866 106 E CB 0.603 30.292 29.700 -0.018 0.000 0.916 106 E HN 0.349 nan 8.360 nan 0.000 0.500 107 G N 1.756 110.547 108.800 -0.016 0.000 2.323 107 G HA2 -0.280 3.680 3.960 0.001 0.000 0.292 107 G HA3 -0.280 3.680 3.960 0.001 0.000 0.292 107 G C 0.296 175.187 174.900 -0.014 0.000 1.040 107 G CA 0.427 45.520 45.100 -0.013 0.000 0.942 107 G HN 0.439 nan 8.290 nan 0.000 0.506 108 A N -0.749 122.059 122.820 -0.021 0.000 2.301 108 A HA 0.765 5.086 4.320 0.001 0.000 0.312 108 A C 1.016 178.584 177.584 -0.025 0.000 1.182 108 A CA 0.628 52.650 52.037 -0.025 0.000 0.826 108 A CB 0.828 19.809 19.000 -0.032 0.000 1.134 108 A HN 0.506 nan 8.150 nan 0.000 0.501 109 E N 1.340 121.525 120.200 -0.024 0.000 2.107 109 E HA 0.127 4.477 4.350 0.001 0.000 0.191 109 E C 0.678 177.260 176.600 -0.031 0.000 0.982 109 E CA 1.201 57.590 56.400 -0.019 0.000 0.809 109 E CB 0.098 29.792 29.700 -0.010 0.000 0.756 109 E HN 0.832 nan 8.360 nan 0.000 0.459 110 A N 0.155 122.941 122.820 -0.057 0.000 2.569 110 A HA 0.636 4.956 4.320 0.001 0.000 0.290 110 A C -0.807 176.723 177.584 -0.091 0.000 1.136 110 A CA -0.851 51.138 52.037 -0.079 0.000 0.710 110 A CB 1.004 19.937 19.000 -0.112 0.000 1.303 110 A HN 0.281 nan 8.150 nan 0.000 0.413 111 I N -2.959 117.550 120.570 -0.100 0.000 3.002 111 I HA 0.972 5.142 4.170 0.001 0.000 0.310 111 I C -0.280 175.758 176.117 -0.131 0.000 1.087 111 I CA -1.151 60.095 61.300 -0.091 0.000 1.017 111 I CB 2.266 40.227 38.000 -0.065 0.000 1.226 111 I HN 1.002 nan 8.210 nan 0.000 0.443 112 A N 1.854 124.597 122.820 -0.128 0.000 2.515 112 A HA 0.859 5.180 4.320 0.001 0.000 0.298 112 A C -1.332 176.120 177.584 -0.219 0.000 1.059 112 A CA -0.496 51.409 52.037 -0.220 0.000 0.698 112 A CB 1.225 20.114 19.000 -0.185 0.000 1.289 112 A HN 1.087 nan 8.150 nan 0.000 0.404 113 H N -1.407 117.485 119.070 -0.296 0.000 2.864 113 H HA 0.752 5.308 4.556 0.001 0.000 0.354 113 H C 0.396 175.540 175.328 -0.306 0.000 1.208 113 H CA -0.460 55.291 56.048 -0.497 0.000 1.191 113 H CB 1.568 30.658 29.762 -1.120 0.000 1.889 113 H HN 0.700 nan 8.280 nan 0.000 0.574 114 G N -0.627 108.143 108.800 -0.049 0.000 3.707 114 G HA2 0.481 4.441 3.960 0.001 0.000 0.286 114 G HA3 0.481 4.441 3.960 0.001 0.000 0.286 114 G C -0.029 174.935 174.900 0.107 0.000 1.112 114 G CA 0.040 45.217 45.100 0.128 0.000 0.861 114 G HN 0.861 nan 8.290 nan 0.000 0.534 115 A N 0.998 123.930 122.820 0.187 0.000 2.388 115 A HA 0.623 4.943 4.320 0.001 0.000 0.257 115 A C 1.094 178.568 177.584 -0.184 0.000 1.095 115 A CA 0.218 52.255 52.037 -0.001 0.000 0.791 115 A CB 0.234 19.267 19.000 0.055 0.000 1.029 115 A HN 0.549 nan 8.150 nan 0.000 0.489 116 T N -0.158 114.103 114.554 -0.488 0.000 2.698 116 T HA 0.386 4.737 4.350 0.001 0.000 0.295 116 T C 1.250 175.866 174.700 -0.139 0.000 1.007 116 T CA 0.193 61.962 62.100 -0.553 0.000 0.980 116 T CB 0.664 69.118 68.868 -0.689 0.000 1.036 116 T HN 0.961 nan 8.240 nan 0.000 0.526 117 G N -0.810 107.967 108.800 -0.037 0.000 2.880 117 G HA2 0.086 4.046 3.960 0.001 0.000 0.209 117 G HA3 0.086 4.046 3.960 0.001 0.000 0.209 117 G C 1.184 176.081 174.900 -0.006 0.000 1.157 117 G CA -0.293 44.815 45.100 0.014 0.000 0.779 117 G HN 0.734 nan 8.290 nan 0.000 0.539 118 K N 0.078 120.456 120.400 -0.036 0.000 2.358 118 K HA 0.225 4.545 4.320 0.001 0.000 0.197 118 K C 1.378 177.961 176.600 -0.030 0.000 1.025 118 K CA 0.058 56.331 56.287 -0.024 0.000 1.104 118 K CB 1.212 33.702 32.500 -0.017 0.000 0.855 118 K HN 0.209 nan 8.250 nan 0.000 0.531 119 G N 0.511 109.279 108.800 -0.054 0.000 2.671 119 G HA2 0.079 4.040 3.960 0.001 0.000 0.275 119 G HA3 0.079 4.040 3.960 0.001 0.000 0.275 119 G C 0.204 175.084 174.900 -0.035 0.000 1.368 119 G CA -0.461 44.611 45.100 -0.045 0.000 1.044 119 G HN -0.030 nan 8.290 nan 0.000 0.543 120 N N -0.454 118.211 118.700 -0.057 0.000 2.368 120 N HA 0.001 4.741 4.740 0.001 0.000 0.178 120 N C 1.190 176.628 175.510 -0.119 0.000 1.076 120 N CA 0.081 53.087 53.050 -0.074 0.000 0.889 120 N CB 0.433 38.813 38.487 -0.178 0.000 1.040 120 N HN 0.373 nan 8.380 nan 0.000 0.463 121 D N 2.180 122.503 120.400 -0.127 0.000 2.149 121 D HA -0.183 4.457 4.640 0.001 0.000 0.198 121 D C 2.044 178.296 176.300 -0.080 0.000 0.990 121 D CA 1.011 54.912 54.000 -0.165 0.000 0.839 121 D CB 0.039 40.807 40.800 -0.053 0.000 0.948 121 D HN 0.558 nan 8.370 nan 0.000 0.460 122 Q N 0.463 120.240 119.800 -0.039 0.000 2.096 122 Q HA -0.119 4.222 4.340 0.001 0.000 0.204 122 Q C 2.239 178.223 176.000 -0.027 0.000 0.982 122 Q CA 1.373 57.132 55.803 -0.073 0.000 0.850 122 Q CB -0.534 28.239 28.738 0.058 0.000 0.901 122 Q HN 0.123 nan 8.270 nan 0.000 0.422 123 V N 1.473 121.373 119.914 -0.023 0.000 2.295 123 V HA -0.244 3.877 4.120 0.001 0.000 0.246 123 V C 2.485 178.538 176.094 -0.069 0.000 1.049 123 V CA 2.224 64.520 62.300 -0.007 0.000 1.024 123 V CB -0.706 31.146 31.823 0.048 0.000 0.648 123 V HN 0.346 nan 8.190 nan 0.000 0.447 124 R N -0.726 119.680 120.500 -0.156 0.000 2.073 124 R HA -0.136 4.204 4.340 0.001 0.000 0.234 124 R C 2.291 178.455 176.300 -0.226 0.000 1.134 124 R CA 1.940 57.894 56.100 -0.244 0.000 0.952 124 R CB -0.552 29.521 30.300 -0.377 0.000 0.850 124 R HN 0.445 nan 8.270 nan 0.000 0.433 125 F N 1.070 120.899 119.950 -0.201 0.000 2.102 125 F HA -0.176 4.352 4.527 0.001 0.000 0.298 125 F C 2.380 178.106 175.800 -0.124 0.000 1.105 125 F CA 1.430 59.311 58.000 -0.199 0.000 1.239 125 F CB -0.080 38.654 39.000 -0.444 0.000 0.991 125 F HN 0.058 nan 8.300 nan 0.000 0.474 126 E N 0.127 120.377 120.200 0.083 0.000 2.152 126 E HA -0.137 4.213 4.350 0.001 0.000 0.192 126 E C 2.265 178.906 176.600 0.068 0.000 0.983 126 E CA 0.711 57.112 56.400 0.002 0.000 0.818 126 E CB -0.178 29.580 29.700 0.097 0.000 0.758 126 E HN 0.409 nan 8.360 nan 0.000 0.467 127 L N 0.623 121.904 121.223 0.098 0.000 2.046 127 L HA -0.173 4.167 4.340 0.001 0.000 0.208 127 L C 2.491 179.455 176.870 0.157 0.000 1.077 127 L CA 1.179 56.093 54.840 0.124 0.000 0.747 127 L CB -0.499 41.510 42.059 -0.083 0.000 0.896 127 L HN 0.178 nan 8.230 nan 0.000 0.432 128 T N -0.191 114.444 114.554 0.135 0.000 2.737 128 T HA -0.150 4.200 4.350 0.001 0.000 0.265 128 T C 2.015 176.782 174.700 0.111 0.000 1.038 128 T CA 1.292 63.522 62.100 0.215 0.000 1.144 128 T CB -0.225 68.798 68.868 0.259 0.000 0.866 128 T HN 0.439 nan 8.240 nan 0.000 0.434 129 A N 0.538 123.377 122.820 0.031 0.000 1.865 129 A HA -0.124 4.196 4.320 0.001 0.000 0.217 129 A C 2.072 179.630 177.584 -0.042 0.000 1.191 129 A CA 1.585 53.582 52.037 -0.067 0.000 0.623 129 A CB -1.226 17.655 19.000 -0.197 0.000 0.826 129 A HN 0.663 nan 8.150 nan 0.000 0.444 130 Y N -0.435 119.906 120.300 0.069 0.000 2.293 130 Y HA -0.089 4.461 4.550 0.001 0.000 0.291 130 Y C 2.846 178.782 175.900 0.059 0.000 1.137 130 Y CA 0.478 58.614 58.100 0.060 0.000 1.202 130 Y CB -0.126 38.374 38.460 0.068 0.000 0.990 130 Y HN 0.385 nan 8.280 nan 0.000 0.537 131 A N -0.123 122.830 122.820 0.221 0.000 1.929 131 A HA -0.080 4.241 4.320 0.001 0.000 0.216 131 A C 2.042 179.671 177.584 0.076 0.000 1.176 131 A CA 1.154 53.289 52.037 0.163 0.000 0.628 131 A CB -0.698 18.425 19.000 0.205 0.000 0.816 131 A HN 0.465 nan 8.150 nan 0.000 0.444 132 L N -2.075 119.158 121.223 0.017 0.000 2.249 132 L HA 0.134 4.475 4.340 0.001 0.000 0.207 132 L C 0.869 177.730 176.870 -0.015 0.000 1.090 132 L CA 0.821 55.627 54.840 -0.056 0.000 0.802 132 L CB 0.075 42.048 42.059 -0.142 0.000 0.947 132 L HN 0.197 nan 8.230 nan 0.000 0.453 133 K N 0.232 120.646 120.400 0.024 0.000 2.756 133 K HA 0.222 4.542 4.320 0.001 0.000 0.218 133 K C -1.985 174.676 176.600 0.101 0.000 1.057 133 K CA -1.607 54.701 56.287 0.036 0.000 1.056 133 K CB 1.102 33.605 32.500 0.005 0.000 1.235 133 K HN -0.303 nan 8.250 nan 0.000 0.547 134 P HA -0.177 nan 4.420 nan 0.000 0.218 134 P C -0.185 177.211 177.300 0.159 0.000 1.146 134 P CA 1.256 64.447 63.100 0.153 0.000 0.813 134 P CB 0.345 32.098 31.700 0.088 0.000 0.778 135 D N -0.618 119.846 120.400 0.106 0.000 2.349 135 D HA 0.045 4.685 4.640 0.001 0.000 0.224 135 D C 0.959 177.317 176.300 0.098 0.000 1.029 135 D CA -0.103 53.950 54.000 0.088 0.000 0.879 135 D CB -0.144 40.686 40.800 0.051 0.000 0.906 135 D HN 0.230 nan 8.370 nan 0.000 0.528 136 I N 1.336 121.975 120.570 0.114 0.000 2.634 136 I HA -0.035 4.135 4.170 0.001 0.000 0.284 136 I C 0.056 176.228 176.117 0.092 0.000 1.124 136 I CA -0.146 61.190 61.300 0.060 0.000 1.417 136 I CB 0.518 38.508 38.000 -0.015 0.000 1.396 136 I HN -0.391 nan 8.210 nan 0.000 0.571 137 K N 5.472 125.894 120.400 0.036 0.000 2.183 137 K HA 0.602 4.923 4.320 0.001 0.000 0.274 137 K C -1.247 175.334 176.600 -0.032 0.000 1.009 137 K CA -0.353 55.961 56.287 0.044 0.000 0.888 137 K CB 1.555 34.069 32.500 0.024 0.000 1.078 137 K HN 0.352 nan 8.250 nan 0.000 0.459 138 V N 4.568 124.469 119.914 -0.023 0.000 2.540 138 V HA 0.505 4.625 4.120 0.001 0.000 0.302 138 V C -0.319 175.725 176.094 -0.084 0.000 1.035 138 V CA -0.836 61.407 62.300 -0.094 0.000 0.873 138 V CB 1.563 33.296 31.823 -0.150 0.000 0.992 138 V HN 0.610 nan 8.190 nan 0.000 0.428 139 I N 3.594 124.060 120.570 -0.173 0.000 2.389 139 I HA 0.664 4.834 4.170 0.001 0.000 0.288 139 I C 0.198 176.115 176.117 -0.334 0.000 0.999 139 I CA -0.550 60.637 61.300 -0.188 0.000 1.129 139 I CB 1.859 39.711 38.000 -0.247 0.000 1.288 139 I HN 0.693 nan 8.210 nan 0.000 0.444 140 A N 8.131 130.761 122.820 -0.317 0.000 2.654 140 A HA 0.561 4.881 4.320 0.001 0.000 0.345 140 A C -2.007 175.288 177.584 -0.481 0.000 1.368 140 A CA -1.478 50.266 52.037 -0.489 0.000 0.895 140 A CB 0.182 19.005 19.000 -0.296 0.000 1.143 140 A HN 0.454 nan 8.150 nan 0.000 0.490 141 P HA -0.204 nan 4.420 nan 0.000 0.216 141 P C 0.856 177.083 177.300 -1.789 0.000 1.157 141 P CA 1.481 63.807 63.100 -1.289 0.000 0.880 141 P CB 0.020 30.921 31.700 -1.331 0.000 0.791 142 W N -0.304 120.091 121.300 -1.508 0.000 2.341 142 W HA -0.121 4.540 4.660 0.001 0.000 0.283 142 W C 2.454 178.547 176.519 -0.709 0.000 1.215 142 W CA 1.183 57.796 57.345 -1.221 0.000 1.211 142 W CB -0.511 28.634 29.460 -0.525 0.000 1.131 142 W HN -0.055 nan 8.180 nan 0.000 0.552 143 R N -0.590 119.709 120.500 -0.336 0.000 2.189 143 R HA 0.020 4.360 4.340 0.001 0.000 0.203 143 R C 1.602 177.801 176.300 -0.168 0.000 1.012 143 R CA 0.856 56.865 56.100 -0.151 0.000 1.015 143 R CB -0.093 30.166 30.300 -0.068 0.000 0.938 143 R HN 0.305 nan 8.270 nan 0.000 0.472 144 E N 0.007 120.024 120.200 -0.304 0.000 2.276 144 E HA -0.043 4.307 4.350 0.001 0.000 0.193 144 E C 0.103 176.679 176.600 -0.039 0.000 0.983 144 E CA 0.111 56.441 56.400 -0.115 0.000 0.861 144 E CB 0.065 29.793 29.700 0.047 0.000 0.817 144 E HN 0.149 nan 8.360 nan 0.000 0.485 145 W N 1.400 122.437 121.300 -0.438 0.000 2.141 145 W HA 0.230 4.890 4.660 0.000 0.000 0.354 145 W C 1.069 177.360 176.519 -0.380 0.000 1.297 145 W CA -0.901 56.136 57.345 -0.512 0.000 1.380 145 W CB -0.149 28.572 29.460 -1.231 0.000 1.168 145 W HN -0.216 nan 8.180 nan 0.000 0.639 146 S N 0.198 115.806 115.700 -0.155 0.000 2.548 146 S HA 0.195 4.665 4.470 0.001 0.000 0.215 146 S C 0.540 175.048 174.600 -0.153 0.000 0.976 146 S CA -0.553 57.575 58.200 -0.121 0.000 0.908 146 S CB -1.012 62.129 63.200 -0.099 0.000 0.781 146 S HN 0.359 nan 8.310 nan 0.000 0.519 147 F N 2.638 122.351 119.950 -0.395 0.000 2.629 147 F HA 0.108 4.635 4.527 0.000 0.000 0.369 147 F C 1.023 176.682 175.800 -0.235 0.000 1.125 147 F CA -0.047 57.650 58.000 -0.506 0.000 1.330 147 F CB 0.260 38.600 39.000 -1.099 0.000 1.071 147 F HN 0.214 nan 8.300 nan 0.000 0.595 148 Q N 2.553 122.387 119.800 0.057 0.000 2.589 148 Q HA 0.513 4.853 4.340 0.001 0.000 0.245 148 Q C -0.288 175.729 176.000 0.029 0.000 0.931 148 Q CA -0.676 55.165 55.803 0.063 0.000 0.730 148 Q CB 1.987 30.761 28.738 0.060 0.000 1.315 148 Q HN 0.972 nan 8.270 nan 0.000 0.469 149 G N 1.091 109.914 108.800 0.039 0.000 2.539 149 G HA2 -0.180 3.780 3.960 0.001 0.000 0.686 149 G HA3 -0.180 3.780 3.960 0.001 0.000 0.686 149 G C -0.419 174.460 174.900 -0.036 0.000 1.258 149 G CA -0.619 44.492 45.100 0.018 0.000 0.846 149 G HN 0.575 nan 8.290 nan 0.000 0.647 150 R N 0.148 120.640 120.500 -0.013 0.000 2.236 150 R HA 0.127 4.468 4.340 0.001 0.000 0.208 150 R C 2.254 178.504 176.300 -0.084 0.000 1.036 150 R CA 1.830 57.907 56.100 -0.039 0.000 1.001 150 R CB -0.185 30.119 30.300 0.006 0.000 0.896 150 R HN 0.430 nan 8.270 nan 0.000 0.464 151 K N 0.657 121.015 120.400 -0.070 0.000 1.984 151 K HA -0.059 4.261 4.320 0.001 0.000 0.209 151 K C 1.785 178.316 176.600 -0.116 0.000 1.046 151 K CA 1.718 57.962 56.287 -0.071 0.000 0.934 151 K CB -0.381 32.093 32.500 -0.043 0.000 0.717 151 K HN 0.192 nan 8.250 nan 0.000 0.438 152 E N 0.298 120.412 120.200 -0.143 0.000 2.085 152 E HA -0.150 4.200 4.350 0.001 0.000 0.194 152 E C 2.058 178.391 176.600 -0.445 0.000 0.994 152 E CA 1.358 57.630 56.400 -0.212 0.000 0.801 152 E CB -0.101 29.500 29.700 -0.166 0.000 0.743 152 E HN 0.267 nan 8.360 nan 0.000 0.453 153 M N 0.151 119.413 119.600 -0.564 0.000 2.117 153 M HA -0.165 4.315 4.480 0.001 0.000 0.262 153 M C 2.308 178.381 176.300 -0.378 0.000 1.065 153 M CA 1.298 56.141 55.300 -0.762 0.000 1.114 153 M CB -0.208 32.031 32.600 -0.601 0.000 1.361 153 M HN 0.136 nan 8.290 nan 0.000 0.408 154 I N -0.074 120.365 120.570 -0.218 0.000 2.315 154 I HA -0.231 3.939 4.170 0.001 0.000 0.248 154 I C 2.698 178.759 176.117 -0.094 0.000 1.117 154 I CA 0.944 62.173 61.300 -0.118 0.000 1.404 154 I CB -0.610 37.342 38.000 -0.080 0.000 1.071 154 I HN 0.249 nan 8.210 nan 0.000 0.419 155 A N 0.779 123.537 122.820 -0.103 0.000 1.851 155 A HA -0.319 4.002 4.320 0.001 0.000 0.216 155 A C 2.312 179.878 177.584 -0.031 0.000 1.195 155 A CA 1.842 53.843 52.037 -0.060 0.000 0.622 155 A CB -1.334 17.637 19.000 -0.048 0.000 0.831 155 A HN 0.504 nan 8.150 nan 0.000 0.444 156 Y N 0.724 120.911 120.300 -0.189 0.000 2.193 156 Y HA -0.209 4.341 4.550 0.001 0.000 0.285 156 Y C 2.586 178.487 175.900 0.002 0.000 1.166 156 Y CA 1.615 59.657 58.100 -0.097 0.000 1.181 156 Y CB -0.413 37.843 38.460 -0.340 0.000 0.976 156 Y HN 0.322 nan 8.280 nan 0.000 0.520 157 A N -0.190 122.621 122.820 -0.014 0.000 1.898 157 A HA -0.169 4.151 4.320 0.001 0.000 0.216 157 A C 2.119 179.678 177.584 -0.043 0.000 1.181 157 A CA 1.690 53.711 52.037 -0.026 0.000 0.620 157 A CB -0.777 18.216 19.000 -0.010 0.000 0.819 157 A HN 0.591 nan 8.150 nan 0.000 0.442 158 E N -0.220 119.951 120.200 -0.049 0.000 2.031 158 E HA -0.102 4.248 4.350 0.001 0.000 0.193 158 E C 2.275 178.833 176.600 -0.071 0.000 0.994 158 E CA 1.094 57.465 56.400 -0.049 0.000 0.800 158 E CB -0.314 29.358 29.700 -0.046 0.000 0.752 158 E HN 0.571 nan 8.360 nan 0.000 0.447 159 A N 0.850 123.610 122.820 -0.099 0.000 1.859 159 A HA -0.291 4.030 4.320 0.001 0.000 0.218 159 A C 1.806 179.258 177.584 -0.221 0.000 1.242 159 A CA 2.312 54.248 52.037 -0.169 0.000 0.661 159 A CB -1.408 17.464 19.000 -0.213 0.000 0.842 159 A HN 0.412 nan 8.150 nan 0.000 0.455 160 H N -0.819 118.095 119.070 -0.259 0.000 2.566 160 H HA 0.244 4.800 4.556 0.001 0.000 0.285 160 H C 1.550 176.807 175.328 -0.119 0.000 1.041 160 H CA 1.169 57.093 56.048 -0.206 0.000 1.207 160 H CB -0.302 29.291 29.762 -0.281 0.000 1.353 160 H HN 0.918 nan 8.280 nan 0.000 0.604 161 G N 0.076 108.866 108.800 -0.017 0.000 2.132 161 G HA2 -0.276 3.684 3.960 0.001 0.000 0.234 161 G HA3 -0.276 3.684 3.960 0.001 0.000 0.234 161 G C 0.174 175.080 174.900 0.010 0.000 0.989 161 G CA 0.028 45.122 45.100 -0.010 0.000 0.676 161 G HN 0.361 nan 8.290 nan 0.000 0.522 162 I N 1.940 122.522 120.570 0.019 0.000 2.452 162 I HA 0.199 4.369 4.170 0.001 0.000 0.287 162 I C -1.509 174.621 176.117 0.022 0.000 1.079 162 I CA -1.929 59.390 61.300 0.033 0.000 1.387 162 I CB 0.798 38.827 38.000 0.049 0.000 1.404 162 I HN -0.110 nan 8.210 nan 0.000 0.522 163 P HA -0.081 nan 4.420 nan 0.000 0.263 163 P C -0.661 176.646 177.300 0.011 0.000 1.162 163 P CA 0.212 63.321 63.100 0.015 0.000 0.758 163 P CB 0.314 32.027 31.700 0.022 0.000 0.773 164 V N 1.531 121.445 119.914 -0.000 0.000 3.046 164 V HA 0.716 4.836 4.120 0.001 0.000 0.316 164 V C -2.008 174.081 176.094 -0.009 0.000 1.104 164 V CA -2.127 60.169 62.300 -0.006 0.000 1.006 164 V CB -0.100 31.714 31.823 -0.015 0.000 1.058 164 V HN 0.366 nan 8.190 nan 0.000 0.440 172 Y N -1.231 119.056 120.300 -0.022 0.000 2.702 172 Y HA 0.719 5.270 4.550 0.001 0.000 0.336 172 Y C -0.925 174.954 175.900 -0.035 0.000 1.203 172 Y CA -1.386 56.699 58.100 -0.025 0.000 1.072 172 Y CB 0.243 38.692 38.460 -0.017 0.000 1.327 172 Y HN -0.053 nan 8.280 nan 0.000 0.456 173 S N 1.884 117.706 115.700 0.204 0.000 2.525 173 S HA 0.840 5.310 4.470 0.001 0.000 0.290 173 S C -0.865 173.725 174.600 -0.016 0.000 1.152 173 S CA -0.511 57.731 58.200 0.070 0.000 1.072 173 S CB 0.280 63.478 63.200 -0.003 0.000 1.027 173 S HN 0.651 nan 8.310 nan 0.000 0.500 174 M N 2.975 122.523 119.600 -0.086 0.000 2.644 174 M HA 0.485 4.965 4.480 0.001 0.000 0.304 174 M C -1.631 174.537 176.300 -0.220 0.000 1.215 174 M CA -0.709 54.424 55.300 -0.278 0.000 0.871 174 M CB 2.271 34.694 32.600 -0.296 0.000 1.740 174 M HN 0.683 nan 8.290 nan 0.000 0.464 175 D N 1.211 121.440 120.400 -0.285 0.000 2.891 175 D HA 0.697 5.337 4.640 0.001 0.000 0.224 175 D C -1.911 174.289 176.300 -0.168 0.000 1.321 175 D CA -0.117 53.789 54.000 -0.157 0.000 0.929 175 D CB 1.596 42.360 40.800 -0.061 0.000 1.551 175 D HN 0.737 nan 8.370 nan 0.000 0.574 176 A N 3.141 125.900 122.820 -0.101 0.000 2.435 176 A HA 0.887 5.207 4.320 0.001 0.000 0.304 176 A C -0.866 176.717 177.584 -0.002 0.000 1.064 176 A CA -0.715 51.295 52.037 -0.045 0.000 0.727 176 A CB 1.353 20.309 19.000 -0.073 0.000 1.284 176 A HN 0.719 nan 8.150 nan 0.000 0.415 177 N N -0.479 118.272 118.700 0.085 0.000 3.179 177 N HA 0.271 5.011 4.740 0.001 0.000 0.250 177 N C -0.003 175.611 175.510 0.174 0.000 1.507 177 N CA -0.845 52.236 53.050 0.050 0.000 0.883 177 N CB 0.221 38.664 38.487 -0.073 0.000 1.435 177 N HN 0.288 nan 8.380 nan 0.000 0.532 178 L N -0.350 121.012 121.223 0.232 0.000 2.189 178 L HA -0.074 4.266 4.340 0.001 0.000 0.214 178 L C 1.744 178.739 176.870 0.209 0.000 1.097 178 L CA 1.207 56.181 54.840 0.222 0.000 0.764 178 L CB -0.297 41.903 42.059 0.235 0.000 0.900 178 L HN 0.564 nan 8.230 nan 0.000 0.436 179 L N -1.561 119.824 121.223 0.270 0.000 2.127 179 L HA -0.034 4.306 4.340 0.001 0.000 0.203 179 L C 0.965 177.982 176.870 0.246 0.000 1.080 179 L CA 0.541 55.476 54.840 0.158 0.000 0.768 179 L CB 0.091 42.175 42.059 0.041 0.000 0.924 179 L HN 0.495 nan 8.230 nan 0.000 0.444 180 H N -2.461 116.697 119.070 0.148 0.000 2.917 180 H HA 0.424 4.981 4.556 0.001 0.000 0.269 180 H C -1.419 173.993 175.328 0.141 0.000 1.488 180 H CA -1.310 54.836 56.048 0.165 0.000 1.173 180 H CB 0.836 30.724 29.762 0.211 0.000 1.868 180 H HN -0.101 nan 8.280 nan 0.000 0.600 181 I N 1.206 121.672 120.570 -0.174 0.000 2.534 181 I HA 0.321 4.491 4.170 0.001 0.000 0.288 181 I C -0.334 175.414 176.117 -0.615 0.000 1.077 181 I CA -0.743 60.327 61.300 -0.383 0.000 1.051 181 I CB 2.073 39.981 38.000 -0.153 0.000 1.234 181 I HN 0.588 nan 8.210 nan 0.000 0.425 182 S N 5.409 120.670 115.700 -0.732 0.000 2.525 182 S HA 0.677 5.147 4.470 0.001 0.000 0.290 182 S C -1.414 172.742 174.600 -0.740 0.000 1.152 182 S CA -0.210 57.679 58.200 -0.518 0.000 1.072 182 S CB 0.620 63.730 63.200 -0.150 0.000 1.027 182 S HN 0.352 nan 8.310 nan 0.000 0.500 183 Y N 2.372 122.380 120.300 -0.487 0.000 2.346 183 Y HA 0.520 5.070 4.550 0.001 0.000 0.332 183 Y C 0.084 175.748 175.900 -0.394 0.000 0.985 183 Y CA -0.710 57.116 58.100 -0.457 0.000 1.112 183 Y CB 1.621 39.690 38.460 -0.652 0.000 1.170 183 Y HN 0.812 nan 8.280 nan 0.000 0.447 184 E N 1.493 121.628 120.200 -0.108 0.000 2.401 184 E HA 0.708 5.058 4.350 0.001 0.000 0.280 184 E C -0.321 176.281 176.600 0.004 0.000 1.039 184 E CA -0.909 55.445 56.400 -0.077 0.000 0.814 184 E CB 2.179 31.820 29.700 -0.098 0.000 1.275 184 E HN 0.951 nan 8.360 nan 0.000 0.448 185 G N 0.082 108.888 108.800 0.010 0.000 2.685 185 G HA2 0.282 4.242 3.960 0.001 0.000 0.387 185 G HA3 0.282 4.242 3.960 0.001 0.000 0.387 185 G C 0.697 175.633 174.900 0.060 0.000 1.324 185 G CA 0.310 45.428 45.100 0.030 0.000 0.878 185 G HN 1.858 nan 8.290 nan 0.000 0.527 186 G N -1.664 107.164 108.800 0.046 0.000 2.634 186 G HA2 -0.014 3.946 3.960 0.001 0.000 0.309 186 G HA3 -0.014 3.946 3.960 0.001 0.000 0.309 186 G C 2.014 176.940 174.900 0.044 0.000 1.265 186 G CA 2.836 47.960 45.100 0.041 0.000 0.998 186 G HN 2.559 nan 8.290 nan 0.000 0.551 187 V N -1.580 118.366 119.914 0.054 0.000 3.026 187 V HA 0.134 4.254 4.120 0.001 0.000 0.265 187 V C 2.528 178.643 176.094 0.034 0.000 1.121 187 V CA 2.525 64.852 62.300 0.044 0.000 1.142 187 V CB -0.313 31.539 31.823 0.048 0.000 0.730 187 V HN 0.594 nan 8.190 nan 0.000 0.503 188 L N 0.350 121.595 121.223 0.037 0.000 2.492 188 L HA 0.187 4.528 4.340 0.001 0.000 0.223 188 L C 2.472 179.344 176.870 0.003 0.000 1.132 188 L CA 1.154 55.991 54.840 -0.005 0.000 0.850 188 L CB -0.937 41.103 42.059 -0.032 0.000 0.966 188 L HN 0.420 nan 8.230 nan 0.000 0.454 189 E N -0.781 119.432 120.200 0.021 0.000 2.265 189 E HA -0.168 4.182 4.350 0.001 0.000 0.196 189 E C 0.393 177.017 176.600 0.040 0.000 0.996 189 E CA 0.425 56.841 56.400 0.028 0.000 0.832 189 E CB 0.053 29.772 29.700 0.031 0.000 0.756 189 E HN 0.311 nan 8.360 nan 0.000 0.491 190 D N 0.449 120.877 120.400 0.046 0.000 2.365 190 D HA 0.034 4.674 4.640 0.001 0.000 0.237 190 D C -1.946 174.405 176.300 0.085 0.000 1.190 190 D CA -2.396 51.650 54.000 0.075 0.000 0.867 190 D CB 1.313 42.167 40.800 0.089 0.000 1.050 190 D HN -0.192 nan 8.370 nan 0.000 0.491 191 P HA -0.070 nan 4.420 nan 0.000 0.221 191 P C 0.901 178.294 177.300 0.155 0.000 1.145 191 P CA 0.645 63.809 63.100 0.105 0.000 0.795 191 P CB 0.035 31.805 31.700 0.115 0.000 0.775 192 W N -0.074 121.223 121.300 -0.006 0.000 3.197 192 W HA 0.377 5.038 4.660 0.001 0.000 0.274 192 W C -0.380 176.133 176.519 -0.010 0.000 1.297 192 W CA -0.073 57.268 57.345 -0.007 0.000 1.662 192 W CB 0.296 29.755 29.460 -0.003 0.000 1.106 192 W HN -0.186 nan 8.180 nan 0.000 0.663 193 A N 1.982 124.793 122.820 -0.014 0.000 2.260 193 A HA 0.246 4.567 4.320 0.001 0.000 0.308 193 A C -0.138 177.368 177.584 -0.129 0.000 1.254 193 A CA -0.407 51.581 52.037 -0.082 0.000 0.874 193 A CB 0.462 19.464 19.000 0.002 0.000 1.153 193 A HN 0.353 nan 8.150 nan 0.000 0.527 194 E N 2.786 122.882 120.200 -0.173 0.000 2.418 194 E HA 0.232 4.582 4.350 0.001 0.000 0.261 194 E C -2.108 174.425 176.600 -0.110 0.000 1.070 194 E CA -1.267 55.044 56.400 -0.150 0.000 0.931 194 E CB 0.349 29.959 29.700 -0.151 0.000 0.954 194 E HN 0.420 nan 8.360 nan 0.000 0.439 195 P HA 0.120 nan 4.420 nan 0.000 0.272 195 P C -2.451 174.777 177.300 -0.119 0.000 1.223 195 P CA -0.877 62.132 63.100 -0.152 0.000 0.784 195 P CB 0.180 31.742 31.700 -0.229 0.000 0.923 196 P HA 0.142 nan 4.420 nan 0.000 0.276 196 P C -0.402 176.856 177.300 -0.070 0.000 1.235 196 P CA -0.253 62.811 63.100 -0.059 0.000 0.772 196 P CB 0.669 32.370 31.700 0.002 0.000 0.871 197 K N 2.057 122.437 120.400 -0.033 0.000 2.527 197 K HA 0.232 4.552 4.320 0.001 0.000 0.278 197 K C 1.324 177.917 176.600 -0.011 0.000 0.981 197 K CA 1.471 57.750 56.287 -0.014 0.000 1.009 197 K CB -0.598 31.897 32.500 -0.008 0.000 0.895 197 K HN 0.787 nan 8.250 nan 0.000 0.493 198 G N 3.368 112.170 108.800 0.003 0.000 2.159 198 G HA2 -0.318 3.642 3.960 0.001 0.000 0.256 198 G HA3 -0.318 3.642 3.960 0.001 0.000 0.256 198 G C 0.538 175.428 174.900 -0.016 0.000 0.977 198 G CA 0.531 45.637 45.100 0.010 0.000 0.652 198 G HN 0.673 nan 8.290 nan 0.000 0.531 199 M N -0.601 118.904 119.600 -0.158 0.000 2.248 199 M HA 0.406 4.886 4.480 0.001 0.000 0.265 199 M C 0.943 176.942 176.300 -0.502 0.000 1.079 199 M CA 0.527 55.598 55.300 -0.381 0.000 1.150 199 M CB 0.142 32.235 32.600 -0.844 0.000 1.366 199 M HN 0.116 nan 8.290 nan 0.000 0.433 200 F N 1.169 120.903 119.950 -0.359 0.000 2.572 200 F HA 0.038 4.565 4.527 0.000 0.000 0.370 200 F C 1.424 177.204 175.800 -0.034 0.000 1.103 200 F CA 0.478 58.322 58.000 -0.261 0.000 1.286 200 F CB 0.399 39.271 39.000 -0.213 0.000 1.105 200 F HN 0.104 nan 8.300 nan 0.000 0.583 201 R N 1.790 122.455 120.500 0.275 0.000 2.342 201 R HA 0.176 4.516 4.340 0.001 0.000 0.204 201 R C 1.591 177.985 176.300 0.158 0.000 0.882 201 R CA 0.108 56.324 56.100 0.193 0.000 1.041 201 R CB 0.154 30.567 30.300 0.189 0.000 1.188 201 R HN 0.676 nan 8.270 nan 0.000 0.598 202 M N 1.186 120.902 119.600 0.192 0.000 2.501 202 M HA 0.068 4.548 4.480 0.001 0.000 0.261 202 M C -0.124 176.233 176.300 0.094 0.000 1.129 202 M CA 0.898 56.280 55.300 0.136 0.000 1.126 202 M CB 0.814 33.508 32.600 0.157 0.000 1.359 202 M HN -0.006 nan 8.290 nan 0.000 0.471 203 T N -1.352 113.252 114.554 0.084 0.000 2.841 203 T HA 0.449 4.800 4.350 0.001 0.000 0.283 203 T C -0.606 174.074 174.700 -0.033 0.000 1.000 203 T CA -0.916 61.180 62.100 -0.006 0.000 0.977 203 T CB 1.982 70.791 68.868 -0.100 0.000 0.979 203 T HN 0.182 nan 8.240 nan 0.000 0.446 204 Q N 1.632 121.402 119.800 -0.050 0.000 2.454 204 Q HA 0.174 4.514 4.340 0.001 0.000 0.247 204 Q C -0.241 175.698 176.000 -0.100 0.000 1.028 204 Q CA 0.017 55.783 55.803 -0.061 0.000 0.910 204 Q CB 0.533 29.221 28.738 -0.083 0.000 1.276 204 Q HN 0.749 nan 8.270 nan 0.000 0.489 205 D N 2.787 123.136 120.400 -0.085 0.000 2.304 205 D HA 0.132 4.773 4.640 0.001 0.000 0.250 205 D C -1.782 174.448 176.300 -0.118 0.000 1.107 205 D CA -1.859 52.077 54.000 -0.108 0.000 0.885 205 D CB 1.388 42.153 40.800 -0.059 0.000 1.192 205 D HN 0.408 nan 8.370 nan 0.000 0.436 206 P HA -0.204 nan 4.420 nan 0.000 0.216 206 P C 0.708 177.931 177.300 -0.129 0.000 1.167 206 P CA 1.562 64.576 63.100 -0.144 0.000 0.914 206 P CB 0.274 31.886 31.700 -0.147 0.000 0.793 207 E N -0.965 119.175 120.200 -0.100 0.000 2.273 207 E HA -0.187 4.163 4.350 0.001 0.000 0.198 207 E C 1.312 177.869 176.600 -0.071 0.000 1.002 207 E CA 0.976 57.329 56.400 -0.078 0.000 0.828 207 E CB -0.421 29.246 29.700 -0.055 0.000 0.747 207 E HN 0.379 nan 8.360 nan 0.000 0.491 208 E N -0.664 119.490 120.200 -0.077 0.000 2.501 208 E HA 0.238 4.588 4.350 0.001 0.000 0.201 208 E C 0.075 176.622 176.600 -0.088 0.000 1.016 208 E CA 0.020 56.380 56.400 -0.067 0.000 0.920 208 E CB 0.557 30.225 29.700 -0.053 0.000 1.023 208 E HN 0.155 nan 8.360 nan 0.000 0.474 209 A N 2.694 125.444 122.820 -0.116 0.000 2.366 209 A HA 0.374 4.695 4.320 0.001 0.000 0.249 209 A C -2.212 175.300 177.584 -0.120 0.000 1.084 209 A CA -1.032 50.914 52.037 -0.151 0.000 0.794 209 A CB -0.327 18.581 19.000 -0.153 0.000 1.034 209 A HN -0.134 nan 8.150 nan 0.000 0.491 210 P HA -0.025 nan 4.420 nan 0.000 0.267 210 P C -0.088 177.257 177.300 0.074 0.000 1.195 210 P CA 0.193 63.275 63.100 -0.030 0.000 0.773 210 P CB 0.427 32.109 31.700 -0.030 0.000 0.837 211 D N 0.222 120.685 120.400 0.104 0.000 2.333 211 D HA 0.048 4.688 4.640 0.001 0.000 0.208 211 D C 0.550 177.012 176.300 0.269 0.000 0.984 211 D CA 0.623 54.727 54.000 0.173 0.000 0.873 211 D CB 0.302 41.163 40.800 0.103 0.000 0.935 211 D HN 0.348 nan 8.370 nan 0.000 0.521 212 A N 2.253 125.203 122.820 0.217 0.000 2.305 212 A HA 0.497 4.817 4.320 0.001 0.000 0.322 212 A C -2.345 175.376 177.584 0.229 0.000 1.187 212 A CA -1.262 50.875 52.037 0.167 0.000 0.825 212 A CB 1.065 20.130 19.000 0.108 0.000 1.164 212 A HN -0.137 nan 8.150 nan 0.000 0.498 213 P HA 0.191 nan 4.420 nan 0.000 0.272 213 P C -0.729 176.525 177.300 -0.078 0.000 1.223 213 P CA -0.056 63.049 63.100 0.008 0.000 0.784 213 P CB 1.045 32.563 31.700 -0.304 0.000 0.923 214 E N 1.526 121.606 120.200 -0.201 0.000 2.210 214 E HA 0.315 4.666 4.350 0.001 0.000 0.266 214 E C -1.236 175.230 176.600 -0.222 0.000 0.883 214 E CA -0.730 55.598 56.400 -0.120 0.000 0.761 214 E CB 0.923 30.638 29.700 0.026 0.000 1.156 214 E HN 0.318 nan 8.360 nan 0.000 0.412 215 Y N 1.818 122.117 120.300 -0.002 0.000 2.352 215 Y HA 0.509 5.059 4.550 0.001 0.000 0.326 215 Y C -0.029 175.880 175.900 0.015 0.000 1.166 215 Y CA -0.548 57.553 58.100 0.002 0.000 1.182 215 Y CB 1.879 40.342 38.460 0.005 0.000 1.216 215 Y HN 0.277 nan 8.280 nan 0.000 0.474 216 V N 2.921 122.941 119.914 0.176 0.000 2.888 216 V HA 0.502 4.622 4.120 0.001 0.000 0.309 216 V C -1.311 174.852 176.094 0.116 0.000 1.114 216 V CA -0.610 61.762 62.300 0.119 0.000 0.940 216 V CB 2.175 34.048 31.823 0.083 0.000 1.021 216 V HN 0.882 nan 8.190 nan 0.000 0.426 217 E N 3.772 124.027 120.200 0.091 0.000 2.212 217 E HA 0.711 5.062 4.350 0.001 0.000 0.268 217 E C -1.637 175.008 176.600 0.074 0.000 0.902 217 E CA -0.736 55.714 56.400 0.084 0.000 0.779 217 E CB 2.627 32.365 29.700 0.064 0.000 1.172 217 E HN 0.511 nan 8.360 nan 0.000 0.409 218 V N 2.239 122.213 119.914 0.099 0.000 2.577 218 V HA 0.226 4.346 4.120 0.001 0.000 0.303 218 V C -0.373 175.793 176.094 0.121 0.000 1.042 218 V CA -0.780 61.562 62.300 0.071 0.000 0.872 218 V CB 1.768 33.649 31.823 0.097 0.000 0.998 218 V HN 0.658 nan 8.190 nan 0.000 0.423 219 E N 3.556 123.768 120.200 0.018 0.000 2.197 219 E HA 0.544 4.895 4.350 0.001 0.000 0.281 219 E C -1.794 174.796 176.600 -0.016 0.000 0.995 219 E CA -0.501 55.947 56.400 0.079 0.000 0.808 219 E CB 1.129 30.853 29.700 0.041 0.000 1.093 219 E HN 0.487 nan 8.360 nan 0.000 0.394 220 F N 4.074 124.027 119.950 0.005 0.000 2.458 220 F HA 0.387 4.915 4.527 0.001 0.000 0.336 220 F C -0.514 175.330 175.800 0.075 0.000 1.114 220 F CA -0.825 57.169 58.000 -0.010 0.000 0.987 220 F CB 1.148 40.103 39.000 -0.076 0.000 1.130 220 F HN 0.366 nan 8.300 nan 0.000 0.458 221 F N 3.494 123.473 119.950 0.048 0.000 2.460 221 F HA 0.402 4.929 4.527 0.001 0.000 0.341 221 F C 0.281 176.091 175.800 0.017 0.000 1.130 221 F CA -1.539 56.477 58.000 0.025 0.000 0.962 221 F CB 0.701 39.700 39.000 -0.002 0.000 1.171 221 F HN 0.776 nan 8.300 nan 0.000 0.436 222 E N 3.482 123.407 120.200 -0.459 0.000 2.791 222 E HA -0.225 4.125 4.350 0.001 0.000 0.271 222 E C 1.071 177.573 176.600 -0.163 0.000 1.044 222 E CA 0.729 56.891 56.400 -0.397 0.000 0.814 222 E CB -1.586 27.735 29.700 -0.632 0.000 1.400 222 E HN 1.333 nan 8.360 nan 0.000 0.423 223 G N -0.541 108.220 108.800 -0.065 0.000 2.234 223 G HA2 -0.241 3.719 3.960 0.001 0.000 0.235 223 G HA3 -0.241 3.719 3.960 0.001 0.000 0.235 223 G C -0.244 174.664 174.900 0.014 0.000 0.997 223 G CA 0.188 45.268 45.100 -0.034 0.000 0.623 223 G HN 0.296 nan 8.290 nan 0.000 0.514 224 D N 1.605 121.979 120.400 -0.043 0.000 2.256 224 D HA 0.513 5.154 4.640 0.001 0.000 0.246 224 D C -2.803 173.223 176.300 -0.457 0.000 1.042 224 D CA -1.383 52.416 54.000 -0.336 0.000 0.841 224 D CB 1.991 42.648 40.800 -0.237 0.000 1.223 224 D HN 0.022 nan 8.370 nan 0.000 0.470 225 P HA -0.001 nan 4.420 nan 0.000 0.271 225 P C 0.873 177.942 177.300 -0.385 0.000 1.220 225 P CA -0.183 62.322 63.100 -0.991 0.000 0.768 225 P CB 0.878 32.046 31.700 -0.886 0.000 0.848 226 V N 0.666 120.429 119.914 -0.251 0.000 3.548 226 V HA 0.739 4.860 4.120 0.001 0.000 0.279 226 V C 0.271 176.330 176.094 -0.058 0.000 1.446 226 V CA 0.393 62.649 62.300 -0.073 0.000 1.023 226 V CB -0.243 31.569 31.823 -0.020 0.000 0.820 226 V HN 0.518 nan 8.190 nan 0.000 0.438 227 A N -0.434 122.332 122.820 -0.089 0.000 2.608 227 A HA 0.813 5.133 4.320 0.001 0.000 0.292 227 A C -1.434 176.125 177.584 -0.042 0.000 1.066 227 A CA -0.350 51.660 52.037 -0.045 0.000 0.676 227 A CB 2.043 21.027 19.000 -0.027 0.000 1.277 227 A HN 0.566 nan 8.150 nan 0.000 0.413 228 V N 2.396 122.303 119.914 -0.011 0.000 2.531 228 V HA 0.415 4.535 4.120 0.001 0.000 0.301 228 V C -0.075 176.032 176.094 0.020 0.000 1.034 228 V CA -0.656 61.648 62.300 0.007 0.000 0.865 228 V CB 1.435 33.268 31.823 0.016 0.000 0.995 228 V HN 0.974 nan 8.190 nan 0.000 0.424 229 N N 3.880 122.599 118.700 0.031 0.000 2.721 229 N HA -0.221 4.520 4.740 0.001 0.000 0.249 229 N C 1.158 176.681 175.510 0.022 0.000 1.072 229 N CA 1.547 54.618 53.050 0.034 0.000 0.710 229 N CB -0.969 37.542 38.487 0.041 0.000 0.993 229 N HN 1.589 nan 8.380 nan 0.000 0.547 230 G N -0.431 108.378 108.800 0.016 0.000 2.179 230 G HA2 -0.339 3.621 3.960 0.001 0.000 0.260 230 G HA3 -0.339 3.621 3.960 0.001 0.000 0.260 230 G C -0.240 174.662 174.900 0.003 0.000 0.977 230 G CA 0.625 45.730 45.100 0.009 0.000 0.641 230 G HN 0.693 nan 8.290 nan 0.000 0.533 231 E N 0.958 121.161 120.200 0.005 0.000 2.133 231 E HA 0.491 4.841 4.350 0.001 0.000 0.274 231 E C 0.502 177.100 176.600 -0.004 0.000 0.930 231 E CA -1.055 55.346 56.400 0.002 0.000 0.770 231 E CB 0.502 30.207 29.700 0.008 0.000 1.104 231 E HN 0.175 nan 8.360 nan 0.000 0.403 232 R N 4.084 124.579 120.500 -0.010 0.000 2.489 232 R HA 0.272 4.612 4.340 0.001 0.000 0.287 232 R C -0.361 175.937 176.300 -0.003 0.000 1.053 232 R CA 0.155 56.246 56.100 -0.014 0.000 1.036 232 R CB 0.087 30.373 30.300 -0.024 0.000 0.966 232 R HN 0.543 nan 8.270 nan 0.000 0.432 233 L N 1.074 122.299 121.223 0.003 0.000 2.422 233 L HA 0.256 4.596 4.340 0.001 0.000 0.264 233 L C 0.401 177.287 176.870 0.027 0.000 0.984 233 L CA -0.899 53.949 54.840 0.014 0.000 0.819 233 L CB 2.240 44.309 42.059 0.018 0.000 1.330 233 L HN 0.681 nan 8.230 nan 0.000 0.410 234 S N 1.174 116.887 115.700 0.021 0.000 2.576 234 S HA 0.181 4.651 4.470 0.001 0.000 0.272 234 S C -1.952 172.658 174.600 0.016 0.000 1.352 234 S CA -0.715 57.496 58.200 0.019 0.000 1.021 234 S CB 0.727 63.930 63.200 0.004 0.000 0.887 234 S HN 0.449 nan 8.310 nan 0.000 0.542 235 P HA -0.182 nan 4.420 nan 0.000 0.215 235 P C 1.678 178.885 177.300 -0.156 0.000 1.163 235 P CA 2.355 65.347 63.100 -0.180 0.000 0.894 235 P CB -0.282 31.041 31.700 -0.628 0.000 0.791 236 A N -0.504 122.239 122.820 -0.129 0.000 1.902 236 A HA -0.090 4.230 4.320 0.001 0.000 0.217 236 A C 2.304 179.884 177.584 -0.008 0.000 1.181 236 A CA 2.079 54.080 52.037 -0.060 0.000 0.623 236 A CB -1.595 17.391 19.000 -0.023 0.000 0.818 236 A HN 0.205 nan 8.150 nan 0.000 0.443 237 A N -0.624 122.196 122.820 0.001 0.000 2.015 237 A HA 0.064 4.384 4.320 0.001 0.000 0.219 237 A C 2.147 179.748 177.584 0.027 0.000 1.163 237 A CA 1.345 53.392 52.037 0.017 0.000 0.646 237 A CB -0.490 18.519 19.000 0.016 0.000 0.806 237 A HN 0.633 nan 8.150 nan 0.000 0.448 238 L N -1.051 120.194 121.223 0.035 0.000 2.109 238 L HA 0.017 4.357 4.340 0.001 0.000 0.207 238 L C 2.294 179.199 176.870 0.058 0.000 1.086 238 L CA 1.023 55.893 54.840 0.050 0.000 0.760 238 L CB -0.124 41.981 42.059 0.077 0.000 0.910 238 L HN 0.416 nan 8.230 nan 0.000 0.437 239 L N -0.435 120.825 121.223 0.062 0.000 2.056 239 L HA -0.219 4.122 4.340 0.001 0.000 0.207 239 L C 2.636 179.542 176.870 0.060 0.000 1.078 239 L CA 1.397 56.277 54.840 0.067 0.000 0.749 239 L CB -0.209 41.877 42.059 0.045 0.000 0.901 239 L HN 0.445 nan 8.230 nan 0.000 0.433 240 Q N 0.593 120.423 119.800 0.050 0.000 2.002 240 Q HA -0.299 4.041 4.340 0.001 0.000 0.204 240 Q C 2.163 178.194 176.000 0.051 0.000 0.988 240 Q CA 2.187 58.020 55.803 0.050 0.000 0.843 240 Q CB -0.333 28.429 28.738 0.040 0.000 0.908 240 Q HN 0.202 nan 8.270 nan 0.000 0.420 241 R N -0.095 120.432 120.500 0.046 0.000 2.096 241 R HA -0.068 4.272 4.340 0.001 0.000 0.240 241 R C 2.202 178.535 176.300 0.056 0.000 1.139 241 R CA 1.856 57.984 56.100 0.046 0.000 0.952 241 R CB -0.819 29.505 30.300 0.040 0.000 0.854 241 R HN 0.481 nan 8.270 nan 0.000 0.436 242 L N 0.390 121.648 121.223 0.059 0.000 2.291 242 L HA -0.091 4.250 4.340 0.001 0.000 0.214 242 L C 1.686 178.602 176.870 0.076 0.000 1.120 242 L CA 0.781 55.662 54.840 0.068 0.000 0.799 242 L CB -0.484 41.616 42.059 0.068 0.000 0.925 242 L HN 0.260 nan 8.230 nan 0.000 0.446 243 N N 0.307 119.052 118.700 0.074 0.000 2.142 243 N HA -0.157 4.584 4.740 0.001 0.000 0.186 243 N C 1.693 177.246 175.510 0.071 0.000 1.023 243 N CA 1.146 54.244 53.050 0.079 0.000 0.852 243 N CB -0.024 38.512 38.487 0.081 0.000 0.998 243 N HN 0.425 nan 8.380 nan 0.000 0.424 244 E N 0.679 120.917 120.200 0.064 0.000 2.031 244 E HA -0.080 4.270 4.350 0.001 0.000 0.193 244 E C 2.064 178.705 176.600 0.068 0.000 0.994 244 E CA 0.799 57.233 56.400 0.056 0.000 0.800 244 E CB -0.104 29.625 29.700 0.049 0.000 0.752 244 E HN 0.320 nan 8.360 nan 0.000 0.447 245 I N 0.869 121.490 120.570 0.086 0.000 2.142 245 I HA -0.180 3.991 4.170 0.001 0.000 0.240 245 I C 2.574 178.798 176.117 0.178 0.000 1.078 245 I CA 1.346 62.722 61.300 0.127 0.000 1.343 245 I CB -0.540 37.525 38.000 0.109 0.000 1.046 245 I HN 0.166 nan 8.210 nan 0.000 0.405 246 G N 0.218 109.094 108.800 0.127 0.000 2.421 246 G HA2 -0.104 3.857 3.960 0.001 0.000 0.217 246 G HA3 -0.104 3.857 3.960 0.001 0.000 0.217 246 G C 1.703 176.666 174.900 0.105 0.000 1.143 246 G CA 0.695 45.868 45.100 0.122 0.000 0.784 246 G HN 0.496 nan 8.290 nan 0.000 0.541 247 G N 1.536 110.381 108.800 0.074 0.000 2.421 247 G HA2 -0.232 3.729 3.960 0.001 0.000 0.216 247 G HA3 -0.232 3.729 3.960 0.001 0.000 0.216 247 G C 1.829 176.727 174.900 -0.004 0.000 1.171 247 G CA 1.026 46.148 45.100 0.036 0.000 0.775 247 G HN 0.602 nan 8.290 nan 0.000 0.543 248 R N -0.628 119.856 120.500 -0.026 0.000 2.249 248 R HA -0.032 4.308 4.340 0.001 0.000 0.230 248 R C 1.522 177.648 176.300 -0.291 0.000 1.121 248 R CA 1.517 57.529 56.100 -0.148 0.000 0.997 248 R CB -0.534 29.657 30.300 -0.183 0.000 0.867 248 R HN 0.405 nan 8.270 nan 0.000 0.465 249 H N -0.270 118.777 119.070 -0.037 0.000 2.586 249 H HA 0.187 4.744 4.556 0.001 0.000 0.273 249 H C 0.836 176.101 175.328 -0.104 0.000 0.997 249 H CA 0.512 56.521 56.048 -0.066 0.000 1.177 249 H CB 1.177 30.913 29.762 -0.042 0.000 1.471 249 H HN 0.556 nan 8.280 nan 0.000 0.538 250 G N 1.647 110.429 108.800 -0.031 0.000 2.176 250 G HA2 -0.276 3.685 3.960 0.001 0.000 0.252 250 G HA3 -0.276 3.685 3.960 0.001 0.000 0.252 250 G C 0.249 175.083 174.900 -0.109 0.000 1.024 250 G CA 0.418 45.453 45.100 -0.107 0.000 0.755 250 G HN 0.205 nan 8.290 nan 0.000 0.507 251 V N -0.158 119.732 119.914 -0.039 0.000 2.649 251 V HA 0.618 4.738 4.120 0.001 0.000 0.292 251 V C 1.647 177.726 176.094 -0.024 0.000 1.055 251 V CA 1.326 63.607 62.300 -0.032 0.000 1.023 251 V CB 1.296 33.126 31.823 0.012 0.000 0.992 251 V HN 2.004 nan 8.190 nan 0.000 0.480 252 G N 4.193 112.985 108.800 -0.013 0.000 2.248 252 G HA2 -0.206 3.754 3.960 0.001 0.000 0.252 252 G HA3 -0.206 3.754 3.960 0.001 0.000 0.252 252 G C -0.017 174.898 174.900 0.024 0.000 1.085 252 G CA -0.292 44.827 45.100 0.031 0.000 0.845 252 G HN 0.648 nan 8.290 nan 0.000 0.494 253 R N -0.608 119.859 120.500 -0.054 0.000 2.294 253 R HA 0.611 4.952 4.340 0.001 0.000 0.319 253 R C -0.355 175.964 176.300 0.032 0.000 0.984 253 R CA -0.653 55.404 56.100 -0.072 0.000 0.861 253 R CB 2.214 32.304 30.300 -0.349 0.000 1.104 253 R HN 0.100 nan 8.270 nan 0.000 0.451 254 V N 2.495 122.502 119.914 0.156 0.000 2.604 254 V HA 0.209 4.329 4.120 0.001 0.000 0.305 254 V C -0.706 175.474 176.094 0.143 0.000 1.043 254 V CA -0.650 61.737 62.300 0.144 0.000 0.888 254 V CB 2.122 34.108 31.823 0.270 0.000 0.995 254 V HN 0.683 nan 8.190 nan 0.000 0.429 255 D N 5.183 125.584 120.400 0.002 0.000 2.420 255 D HA 0.496 5.136 4.640 0.001 0.000 0.255 255 D C -0.781 175.478 176.300 -0.068 0.000 1.185 255 D CA -0.109 53.876 54.000 -0.025 0.000 0.904 255 D CB 1.132 41.896 40.800 -0.059 0.000 1.102 255 D HN 0.594 nan 8.370 nan 0.000 0.534 256 I N -0.584 119.996 120.570 0.017 0.000 2.969 256 I HA 0.619 4.789 4.170 0.001 0.000 0.307 256 I C -1.284 174.870 176.117 0.062 0.000 1.149 256 I CA -1.051 60.261 61.300 0.021 0.000 1.008 256 I CB 2.368 40.415 38.000 0.078 0.000 1.232 256 I HN -0.131 nan 8.210 nan 0.000 0.435 257 V N 3.858 123.808 119.914 0.060 0.000 2.333 257 V HA 0.314 4.434 4.120 0.001 0.000 0.274 257 V C 0.109 176.260 176.094 0.095 0.000 1.028 257 V CA -0.296 62.048 62.300 0.073 0.000 0.851 257 V CB 0.881 32.743 31.823 0.065 0.000 1.000 257 V HN 0.889 nan 8.190 nan 0.000 0.456 258 E N 4.789 125.063 120.200 0.123 0.000 2.222 258 E HA 0.425 4.775 4.350 0.001 0.000 0.267 258 E C -0.937 175.775 176.600 0.186 0.000 0.963 258 E CA -1.019 55.470 56.400 0.149 0.000 0.837 258 E CB 1.571 31.381 29.700 0.184 0.000 1.183 258 E HN 0.483 nan 8.360 nan 0.000 0.403 259 N N 1.970 120.799 118.700 0.215 0.000 2.419 259 N HA 0.192 4.932 4.740 0.001 0.000 0.264 259 N C -0.525 175.245 175.510 0.433 0.000 1.031 259 N CA -0.260 52.949 53.050 0.266 0.000 0.951 259 N CB 1.240 39.866 38.487 0.232 0.000 1.101 259 N HN 0.331 nan 8.380 nan 0.000 0.488 260 R N 0.854 121.595 120.500 0.401 0.000 2.543 260 R HA 0.202 4.543 4.340 0.001 0.000 0.268 260 R C 0.951 177.548 176.300 0.494 0.000 1.067 260 R CA -0.576 55.821 56.100 0.495 0.000 1.142 260 R CB 0.710 31.183 30.300 0.288 0.000 1.110 260 R HN 0.452 nan 8.270 nan 0.000 0.549 261 F N 1.091 121.190 119.950 0.248 0.000 2.234 261 F HA -0.049 4.479 4.527 0.000 0.000 0.296 261 F C 1.451 177.225 175.800 -0.044 0.000 1.089 261 F CA 1.135 59.115 58.000 -0.034 0.000 1.343 261 F CB 0.141 39.029 39.000 -0.187 0.000 1.040 261 F HN 0.174 nan 8.300 nan 0.000 0.498 262 V N -0.691 119.247 119.914 0.039 0.000 2.484 262 V HA 0.236 4.356 4.120 0.001 0.000 0.236 262 V C 1.853 177.943 176.094 -0.007 0.000 1.062 262 V CA 0.892 63.145 62.300 -0.078 0.000 1.081 262 V CB -1.087 30.695 31.823 -0.067 0.000 0.751 262 V HN 0.273 nan 8.190 nan 0.000 0.484 263 G N -0.802 108.024 108.800 0.043 0.000 2.489 263 G HA2 0.302 4.263 3.960 0.001 0.000 0.271 263 G HA3 0.302 4.263 3.960 0.001 0.000 0.271 263 G C 0.186 175.133 174.900 0.080 0.000 1.427 263 G CA 0.157 45.288 45.100 0.051 0.000 1.057 263 G HN 0.107 nan 8.290 nan 0.000 0.532 264 M N -0.998 118.649 119.600 0.079 0.000 2.213 264 M HA 0.435 4.916 4.480 0.001 0.000 0.202 264 M C 0.816 177.187 176.300 0.118 0.000 1.507 264 M CA 0.573 55.927 55.300 0.090 0.000 1.776 264 M CB -0.123 32.519 32.600 0.068 0.000 1.049 264 M HN 0.339 nan 8.290 nan 0.000 0.850 265 K N -0.313 120.148 120.400 0.102 0.000 2.106 265 K HA 0.537 4.858 4.320 0.001 0.000 0.246 265 K C -1.211 175.451 176.600 0.103 0.000 0.987 265 K CA -0.499 55.855 56.287 0.113 0.000 0.904 265 K CB 1.453 34.009 32.500 0.093 0.000 1.071 265 K HN 0.443 nan 8.250 nan 0.000 0.453 266 S N 0.672 116.438 115.700 0.110 0.000 2.562 266 S HA 0.216 4.686 4.470 0.001 0.000 0.274 266 S C -1.549 173.097 174.600 0.076 0.000 1.160 266 S CA -0.893 57.360 58.200 0.089 0.000 0.933 266 S CB 1.149 64.412 63.200 0.106 0.000 1.100 266 S HN 0.510 nan 8.310 nan 0.000 0.468 267 R N 2.784 123.310 120.500 0.043 0.000 2.267 267 R HA 0.552 4.892 4.340 0.001 0.000 0.319 267 R C 0.106 176.386 176.300 -0.033 0.000 1.067 267 R CA 0.123 56.233 56.100 0.016 0.000 0.936 267 R CB 0.432 30.735 30.300 0.006 0.000 1.006 267 R HN 0.810 nan 8.270 nan 0.000 0.452 268 G N 1.690 110.461 108.800 -0.048 0.000 2.519 268 G HA2 0.553 4.513 3.960 0.001 0.000 0.307 268 G HA3 0.553 4.513 3.960 0.001 0.000 0.307 268 G C -1.520 173.165 174.900 -0.358 0.000 1.266 268 G CA -0.378 44.570 45.100 -0.254 0.000 0.970 268 G HN 0.382 nan 8.290 nan 0.000 0.481 269 V N 1.235 120.765 119.914 -0.639 0.000 2.577 269 V HA 0.591 4.711 4.120 0.001 0.000 0.303 269 V C -1.333 174.486 176.094 -0.459 0.000 1.042 269 V CA -0.675 61.412 62.300 -0.356 0.000 0.872 269 V CB 1.185 32.837 31.823 -0.284 0.000 0.998 269 V HN 0.701 nan 8.190 nan 0.000 0.423 270 Y N 2.072 122.509 120.300 0.229 0.000 2.512 270 Y HA 0.654 5.204 4.550 0.000 0.000 0.348 270 Y C 0.094 176.188 175.900 0.324 0.000 0.990 270 Y CA -1.091 57.185 58.100 0.292 0.000 1.033 270 Y CB 2.049 40.734 38.460 0.374 0.000 1.259 270 Y HN 0.721 nan 8.280 nan 0.000 0.461 271 E N -0.064 120.421 120.200 0.475 0.000 2.218 271 E HA 0.609 4.960 4.350 0.001 0.000 0.263 271 E C -1.423 175.364 176.600 0.311 0.000 0.879 271 E CA -1.051 55.547 56.400 0.330 0.000 0.762 271 E CB 1.736 31.637 29.700 0.335 0.000 1.166 271 E HN 0.542 nan 8.360 nan 0.000 0.415 272 T N 4.612 119.310 114.554 0.240 0.000 3.542 272 T HA 0.206 4.557 4.350 0.001 0.000 0.276 272 T C -1.905 172.878 174.700 0.137 0.000 1.412 272 T CA -1.121 61.107 62.100 0.213 0.000 1.664 272 T CB 0.799 69.784 68.868 0.195 0.000 0.863 272 T HN 0.375 nan 8.240 nan 0.000 0.661 273 P HA -0.178 nan 4.420 nan 0.000 0.212 273 P C 1.857 179.215 177.300 0.097 0.000 1.178 273 P CA 1.511 64.665 63.100 0.090 0.000 0.915 273 P CB -0.104 31.644 31.700 0.081 0.000 0.788 274 G N -0.110 108.749 108.800 0.099 0.000 2.433 274 G HA2 -0.209 3.751 3.960 0.001 0.000 0.216 274 G HA3 -0.209 3.751 3.960 0.001 0.000 0.216 274 G C 2.013 176.973 174.900 0.100 0.000 1.186 274 G CA 1.168 46.325 45.100 0.095 0.000 0.779 274 G HN 0.418 nan 8.290 nan 0.000 0.543 275 G N 0.094 108.951 108.800 0.095 0.000 2.469 275 G HA2 -0.188 3.772 3.960 0.001 0.000 0.220 275 G HA3 -0.188 3.772 3.960 0.001 0.000 0.220 275 G C 1.829 176.791 174.900 0.104 0.000 1.136 275 G CA 1.809 46.961 45.100 0.086 0.000 0.759 275 G HN 0.409 nan 8.290 nan 0.000 0.562 276 T N 0.996 115.613 114.554 0.105 0.000 2.867 276 T HA 0.026 4.377 4.350 0.001 0.000 0.268 276 T C 2.354 177.183 174.700 0.216 0.000 1.057 276 T CA 0.715 62.892 62.100 0.127 0.000 1.136 276 T CB -0.065 68.878 68.868 0.124 0.000 0.874 276 T HN 0.274 nan 8.240 nan 0.000 0.466 277 I N 0.561 121.236 120.570 0.176 0.000 2.286 277 I HA -0.071 4.099 4.170 0.001 0.000 0.245 277 I C 2.152 178.383 176.117 0.190 0.000 1.104 277 I CA 1.064 62.474 61.300 0.184 0.000 1.397 277 I CB -0.286 37.789 38.000 0.126 0.000 1.072 277 I HN 0.189 nan 8.210 nan 0.000 0.417 278 L N -0.521 120.799 121.223 0.163 0.000 2.131 278 L HA -0.251 4.089 4.340 0.001 0.000 0.210 278 L C 2.613 179.574 176.870 0.150 0.000 1.092 278 L CA 1.355 56.304 54.840 0.183 0.000 0.759 278 L CB -0.627 41.507 42.059 0.125 0.000 0.903 278 L HN 0.280 nan 8.230 nan 0.000 0.435 279 Y N -0.206 120.070 120.300 -0.040 0.000 2.200 279 Y HA -0.243 4.308 4.550 0.001 0.000 0.290 279 Y C 2.757 178.504 175.900 -0.255 0.000 1.137 279 Y CA 1.657 59.642 58.100 -0.191 0.000 1.163 279 Y CB -0.061 38.205 38.460 -0.323 0.000 0.988 279 Y HN 0.193 nan 8.280 nan 0.000 0.518 280 H N -0.875 118.258 119.070 0.105 0.000 2.482 280 H HA 0.125 4.682 4.556 0.001 0.000 0.286 280 H C 2.265 177.554 175.328 -0.066 0.000 1.017 280 H CA 0.908 56.962 56.048 0.011 0.000 1.322 280 H CB -0.359 29.457 29.762 0.090 0.000 1.426 280 H HN 0.503 nan 8.280 nan 0.000 0.546 281 A N 1.642 124.516 122.820 0.090 0.000 1.873 281 A HA -0.167 4.154 4.320 0.001 0.000 0.215 281 A C 2.505 179.939 177.584 -0.249 0.000 1.186 281 A CA 1.455 53.532 52.037 0.066 0.000 0.616 281 A CB -0.474 18.704 19.000 0.296 0.000 0.823 281 A HN 0.338 nan 8.150 nan 0.000 0.442 282 R N -0.218 120.032 120.500 -0.417 0.000 2.096 282 R HA -0.169 4.172 4.340 0.001 0.000 0.240 282 R C 2.230 178.177 176.300 -0.588 0.000 1.139 282 R CA 1.875 57.443 56.100 -0.888 0.000 0.952 282 R CB -0.362 29.605 30.300 -0.555 0.000 0.854 282 R HN 0.490 nan 8.270 nan 0.000 0.436 283 R N -0.096 120.138 120.500 -0.444 0.000 2.152 283 R HA -0.062 4.278 4.340 0.001 0.000 0.232 283 R C 2.290 178.453 176.300 -0.228 0.000 1.117 283 R CA 1.105 57.004 56.100 -0.336 0.000 0.981 283 R CB -0.235 29.866 30.300 -0.333 0.000 0.870 283 R HN 0.357 nan 8.270 nan 0.000 0.451 284 A N 0.577 123.277 122.820 -0.200 0.000 1.929 284 A HA -0.058 4.262 4.320 0.001 0.000 0.216 284 A C 2.254 179.736 177.584 -0.170 0.000 1.176 284 A CA 0.975 52.931 52.037 -0.135 0.000 0.628 284 A CB -0.195 18.761 19.000 -0.074 0.000 0.816 284 A HN 0.100 nan 8.150 nan 0.000 0.444 285 V N 0.254 120.009 119.914 -0.265 0.000 2.667 285 V HA -0.179 3.941 4.120 0.001 0.000 0.252 285 V C 2.187 178.140 176.094 -0.234 0.000 1.065 285 V CA 1.894 64.040 62.300 -0.257 0.000 1.083 285 V CB -0.714 30.874 31.823 -0.392 0.000 0.692 285 V HN 0.618 nan 8.190 nan 0.000 0.468 286 E N 0.766 120.807 120.200 -0.266 0.000 2.208 286 E HA -0.132 4.218 4.350 0.001 0.000 0.193 286 E C 2.234 178.752 176.600 -0.137 0.000 0.988 286 E CA 1.273 57.550 56.400 -0.205 0.000 0.828 286 E CB -0.156 29.413 29.700 -0.219 0.000 0.763 286 E HN 0.738 nan 8.360 nan 0.000 0.478 287 S N 0.250 115.874 115.700 -0.128 0.000 2.507 287 S HA -0.017 4.453 4.470 0.001 0.000 0.235 287 S C 1.774 176.330 174.600 -0.073 0.000 0.988 287 S CA 0.544 58.690 58.200 -0.089 0.000 0.944 287 S CB -0.023 63.124 63.200 -0.089 0.000 0.762 287 S HN 0.182 nan 8.310 nan 0.000 0.526 288 L N 0.787 121.962 121.223 -0.079 0.000 2.577 288 L HA 0.155 4.495 4.340 0.001 0.000 0.225 288 L C 2.476 179.322 176.870 -0.040 0.000 1.053 288 L CA 1.067 55.881 54.840 -0.043 0.000 0.866 288 L CB -0.260 41.773 42.059 -0.043 0.000 1.132 288 L HN 0.492 nan 8.230 nan 0.000 0.486 289 T N -2.476 112.033 114.554 -0.074 0.000 3.044 289 T HA 0.284 4.634 4.350 0.001 0.000 0.250 289 T C 0.657 175.304 174.700 -0.088 0.000 1.081 289 T CA -0.037 62.015 62.100 -0.080 0.000 1.040 289 T CB 0.097 68.903 68.868 -0.102 0.000 0.962 289 T HN -0.052 nan 8.240 nan 0.000 0.506 290 L N 2.141 123.310 121.223 -0.089 0.000 2.325 290 L HA 0.481 4.821 4.340 0.001 0.000 0.278 290 L C 0.063 176.890 176.870 -0.072 0.000 1.023 290 L CA -1.128 53.660 54.840 -0.087 0.000 0.811 290 L CB 1.492 43.495 42.059 -0.092 0.000 1.249 290 L HN 0.250 nan 8.230 nan 0.000 0.431 291 D N 2.398 122.755 120.400 -0.071 0.000 2.372 291 D HA -0.004 4.637 4.640 0.001 0.000 0.243 291 D C 1.005 177.239 176.300 -0.111 0.000 1.121 291 D CA -0.230 53.726 54.000 -0.074 0.000 0.898 291 D CB 1.363 42.127 40.800 -0.060 0.000 1.202 291 D HN 0.539 nan 8.370 nan 0.000 0.428 292 R N 2.224 122.634 120.500 -0.149 0.000 2.112 292 R HA -0.192 4.149 4.340 0.001 0.000 0.242 292 R C 1.488 177.494 176.300 -0.489 0.000 1.137 292 R CA 1.594 57.508 56.100 -0.311 0.000 0.944 292 R CB 0.016 30.157 30.300 -0.265 0.000 0.857 292 R HN 0.540 nan 8.270 nan 0.000 0.435 293 E N -0.027 120.010 120.200 -0.272 0.000 2.204 293 E HA -0.102 4.248 4.350 0.001 0.000 0.194 293 E C 2.060 178.628 176.600 -0.053 0.000 0.989 293 E CA 0.821 57.120 56.400 -0.169 0.000 0.824 293 E CB -0.006 29.655 29.700 -0.065 0.000 0.756 293 E HN 0.254 nan 8.360 nan 0.000 0.477 294 V N 1.390 121.282 119.914 -0.038 0.000 2.323 294 V HA -0.203 3.918 4.120 0.001 0.000 0.244 294 V C 2.384 178.521 176.094 0.071 0.000 1.041 294 V CA 1.206 63.530 62.300 0.039 0.000 1.025 294 V CB -0.422 31.402 31.823 0.002 0.000 0.656 294 V HN 0.175 nan 8.190 nan 0.000 0.451 295 L N 0.201 121.432 121.223 0.013 0.000 2.017 295 L HA -0.211 4.130 4.340 0.001 0.000 0.208 295 L C 2.361 179.345 176.870 0.191 0.000 1.073 295 L CA 2.158 57.041 54.840 0.072 0.000 0.745 295 L CB -1.059 41.025 42.059 0.042 0.000 0.894 295 L HN 0.470 nan 8.230 nan 0.000 0.432 296 H N -1.826 117.269 119.070 0.042 0.000 2.421 296 H HA -0.176 4.381 4.556 0.001 0.000 0.298 296 H C 2.075 177.433 175.328 0.050 0.000 1.087 296 H CA 0.997 57.068 56.048 0.039 0.000 1.330 296 H CB 0.262 30.043 29.762 0.030 0.000 1.388 296 H HN 0.441 nan 8.280 nan 0.000 0.526 297 Q N 1.057 120.972 119.800 0.192 0.000 2.096 297 Q HA -0.093 4.247 4.340 0.001 0.000 0.197 297 Q C 2.381 178.469 176.000 0.146 0.000 0.964 297 Q CA 0.870 56.746 55.803 0.122 0.000 0.838 297 Q CB 0.025 28.825 28.738 0.103 0.000 0.906 297 Q HN 0.093 nan 8.270 nan 0.000 0.444 298 R N 0.515 121.178 120.500 0.272 0.000 2.081 298 R HA -0.135 4.206 4.340 0.001 0.000 0.235 298 R C 0.985 177.467 176.300 0.303 0.000 1.131 298 R CA 1.896 58.242 56.100 0.411 0.000 0.960 298 R CB -0.609 29.916 30.300 0.375 0.000 0.856 298 R HN 0.351 nan 8.270 nan 0.000 0.436 299 D N 0.066 120.575 120.400 0.182 0.000 2.218 299 D HA -0.112 4.529 4.640 0.001 0.000 0.204 299 D C 1.763 178.120 176.300 0.095 0.000 0.976 299 D CA 0.970 55.038 54.000 0.114 0.000 0.853 299 D CB -0.056 40.787 40.800 0.071 0.000 0.939 299 D HN 0.299 nan 8.370 nan 0.000 0.481 300 M N -0.603 119.051 119.600 0.090 0.000 2.558 300 M HA 0.064 4.544 4.480 0.001 0.000 0.255 300 M C 1.465 177.803 176.300 0.062 0.000 1.113 300 M CA 0.513 55.844 55.300 0.051 0.000 1.097 300 M CB 0.391 33.006 32.600 0.024 0.000 1.426 300 M HN 0.004 nan 8.290 nan 0.000 0.488 301 L N -1.806 119.491 121.223 0.123 0.000 2.515 301 L HA 0.084 4.424 4.340 0.001 0.000 0.223 301 L C 2.345 179.431 176.870 0.360 0.000 1.079 301 L CA 0.007 54.952 54.840 0.175 0.000 0.857 301 L CB -0.175 41.907 42.059 0.038 0.000 1.050 301 L HN 0.116 nan 8.230 nan 0.000 0.476 302 S N 1.045 116.932 115.700 0.312 0.000 2.368 302 S HA -0.141 4.329 4.470 0.001 0.000 0.226 302 S C -0.527 174.162 174.600 0.148 0.000 1.044 302 S CA 1.826 60.114 58.200 0.147 0.000 1.062 302 S CB -1.002 62.213 63.200 0.025 0.000 0.931 302 S HN 0.261 nan 8.310 nan 0.000 0.440 303 P HA -0.115 nan 4.420 nan 0.000 0.216 303 P C 1.338 178.686 177.300 0.080 0.000 1.150 303 P CA 1.213 64.345 63.100 0.054 0.000 0.837 303 P CB 0.067 31.772 31.700 0.008 0.000 0.786 304 K N -1.060 119.410 120.400 0.116 0.000 2.062 304 K HA -0.161 4.159 4.320 0.001 0.000 0.205 304 K C 2.131 178.813 176.600 0.137 0.000 1.051 304 K CA 1.308 57.655 56.287 0.099 0.000 0.941 304 K CB -1.424 31.133 32.500 0.094 0.000 0.719 304 K HN 0.057 nan 8.250 nan 0.000 0.440 305 Y N 0.348 120.716 120.300 0.114 0.000 2.224 305 Y HA -0.150 4.401 4.550 0.000 0.000 0.289 305 Y C 1.876 177.815 175.900 0.064 0.000 1.146 305 Y CA 1.783 59.960 58.100 0.128 0.000 1.182 305 Y CB -0.428 38.137 38.460 0.175 0.000 0.983 305 Y HN 0.139 nan 8.280 nan 0.000 0.524 306 A N 0.912 123.862 122.820 0.216 0.000 1.877 306 A HA -0.260 4.060 4.320 0.001 0.000 0.216 306 A C 2.078 179.697 177.584 0.058 0.000 1.186 306 A CA 2.016 54.142 52.037 0.148 0.000 0.620 306 A CB -0.910 18.190 19.000 0.167 0.000 0.822 306 A HN 0.734 nan 8.150 nan 0.000 0.443 307 E N 0.016 120.220 120.200 0.006 0.000 2.204 307 E HA -0.081 4.269 4.350 0.001 0.000 0.194 307 E C 1.846 178.158 176.600 -0.479 0.000 0.989 307 E CA 0.904 57.122 56.400 -0.302 0.000 0.824 307 E CB -0.454 29.013 29.700 -0.389 0.000 0.756 307 E HN 0.588 nan 8.360 nan 0.000 0.477 308 L N 1.045 122.143 121.223 -0.209 0.000 2.017 308 L HA -0.158 4.183 4.340 0.001 0.000 0.208 308 L C 2.553 179.403 176.870 -0.033 0.000 1.073 308 L CA 0.880 55.675 54.840 -0.075 0.000 0.745 308 L CB -0.358 41.631 42.059 -0.117 0.000 0.894 308 L HN 0.099 nan 8.230 nan 0.000 0.432 309 V N -1.007 118.831 119.914 -0.127 0.000 2.295 309 V HA -0.340 3.780 4.120 0.001 0.000 0.246 309 V C 2.220 178.268 176.094 -0.077 0.000 1.049 309 V CA 1.867 64.139 62.300 -0.047 0.000 1.024 309 V CB -0.711 31.080 31.823 -0.053 0.000 0.648 309 V HN 0.382 nan 8.190 nan 0.000 0.447 310 Y N -0.160 119.964 120.300 -0.294 0.000 2.207 310 Y HA -0.262 4.289 4.550 0.001 0.000 0.287 310 Y C 2.327 178.112 175.900 -0.191 0.000 1.156 310 Y CA 1.732 59.606 58.100 -0.377 0.000 1.182 310 Y CB -0.222 37.699 38.460 -0.898 0.000 0.979 310 Y HN 0.303 nan 8.280 nan 0.000 0.521 311 Y N -0.494 119.647 120.300 -0.265 0.000 2.516 311 Y HA 0.215 4.765 4.550 0.000 0.000 0.291 311 Y C 2.188 177.820 175.900 -0.445 0.000 1.131 311 Y CA 0.345 58.121 58.100 -0.540 0.000 1.281 311 Y CB -0.473 37.492 38.460 -0.826 0.000 1.013 311 Y HN 0.254 nan 8.280 nan 0.000 0.554 312 G N -1.212 107.491 108.800 -0.163 0.000 2.163 312 G HA2 -0.257 3.703 3.960 0.001 0.000 0.213 312 G HA3 -0.257 3.703 3.960 0.001 0.000 0.213 312 G C 0.139 174.914 174.900 -0.208 0.000 0.991 312 G CA -0.373 44.594 45.100 -0.221 0.000 0.653 312 G HN 0.245 nan 8.290 nan 0.000 0.518 313 F N 1.106 121.099 119.950 0.073 0.000 2.733 313 F HA 0.350 4.877 4.527 0.001 0.000 0.344 313 F C 1.652 177.490 175.800 0.063 0.000 1.179 313 F CA -0.536 57.515 58.000 0.085 0.000 1.316 313 F CB -0.099 38.931 39.000 0.050 0.000 1.577 313 F HN 0.397 nan 8.300 nan 0.000 0.591 314 W N -0.146 121.154 121.300 -0.001 0.000 2.441 314 W HA -0.137 4.523 4.660 0.000 0.000 0.302 314 W C 0.200 176.611 176.519 -0.180 0.000 1.191 314 W CA 1.247 58.503 57.345 -0.149 0.000 1.327 314 W CB -0.218 29.099 29.460 -0.237 0.000 1.128 314 W HN 0.189 nan 8.180 nan 0.000 0.522 315 Y N 1.031 121.427 120.300 0.160 0.000 2.933 315 Y HA 0.439 4.989 4.550 0.001 0.000 0.380 315 Y C 0.531 176.475 175.900 0.073 0.000 1.056 315 Y CA -0.304 57.829 58.100 0.055 0.000 1.704 315 Y CB -0.601 37.958 38.460 0.165 0.000 1.558 315 Y HN -0.164 nan 8.280 nan 0.000 0.501 316 A N 0.822 123.729 122.820 0.145 0.000 2.355 316 A HA 0.475 4.795 4.320 0.001 0.000 0.324 316 A C -1.672 175.940 177.584 0.048 0.000 1.117 316 A CA -1.878 50.258 52.037 0.165 0.000 0.785 316 A CB 1.233 20.406 19.000 0.288 0.000 1.254 316 A HN 0.116 nan 8.150 nan 0.000 0.453 317 P HA -0.227 nan 4.420 nan 0.000 0.216 317 P C 0.531 177.819 177.300 -0.019 0.000 1.150 317 P CA 1.712 64.817 63.100 0.008 0.000 0.843 317 P CB 0.250 31.960 31.700 0.017 0.000 0.787 318 E N -0.029 120.154 120.200 -0.028 0.000 2.106 318 E HA -0.147 4.203 4.350 0.001 0.000 0.192 318 E C 2.375 178.957 176.600 -0.030 0.000 0.984 318 E CA 0.812 57.188 56.400 -0.040 0.000 0.806 318 E CB -0.821 28.838 29.700 -0.069 0.000 0.750 318 E HN 0.184 nan 8.360 nan 0.000 0.458 319 R N 1.301 121.763 120.500 -0.064 0.000 2.090 319 R HA -0.093 4.248 4.340 0.001 0.000 0.228 319 R C 1.556 177.802 176.300 -0.090 0.000 1.110 319 R CA 1.284 57.320 56.100 -0.108 0.000 0.973 319 R CB 0.012 30.146 30.300 -0.276 0.000 0.869 319 R HN 0.273 nan 8.270 nan 0.000 0.440 320 E N 0.086 120.209 120.200 -0.127 0.000 2.150 320 E HA -0.107 4.244 4.350 0.001 0.000 0.193 320 E C 1.910 178.494 176.600 -0.028 0.000 0.985 320 E CA 1.049 57.385 56.400 -0.107 0.000 0.814 320 E CB -0.029 29.617 29.700 -0.091 0.000 0.752 320 E HN 0.414 nan 8.360 nan 0.000 0.466 321 A N 1.212 124.023 122.820 -0.016 0.000 1.872 321 A HA -0.107 4.213 4.320 0.001 0.000 0.214 321 A C 2.170 179.755 177.584 0.002 0.000 1.187 321 A CA 0.860 52.890 52.037 -0.011 0.000 0.614 321 A CB -0.545 18.441 19.000 -0.024 0.000 0.826 321 A HN 0.124 nan 8.150 nan 0.000 0.442 322 L N -0.981 120.265 121.223 0.037 0.000 2.141 322 L HA -0.205 4.135 4.340 0.001 0.000 0.209 322 L C 2.799 179.735 176.870 0.110 0.000 1.094 322 L CA 1.482 56.338 54.840 0.027 0.000 0.763 322 L CB -0.378 41.825 42.059 0.240 0.000 0.908 322 L HN 0.443 nan 8.230 nan 0.000 0.437 323 Q N 0.234 120.170 119.800 0.227 0.000 2.181 323 Q HA -0.185 4.155 4.340 0.001 0.000 0.205 323 Q C 2.182 178.251 176.000 0.115 0.000 0.980 323 Q CA 1.927 57.868 55.803 0.230 0.000 0.862 323 Q CB -0.177 28.621 28.738 0.099 0.000 0.905 323 Q HN 0.466 nan 8.270 nan 0.000 0.429 324 A N -0.836 122.016 122.820 0.053 0.000 1.898 324 A HA -0.188 4.132 4.320 0.001 0.000 0.216 324 A C 1.969 179.561 177.584 0.014 0.000 1.181 324 A CA 1.456 53.510 52.037 0.028 0.000 0.620 324 A CB -1.024 17.981 19.000 0.008 0.000 0.819 324 A HN 0.606 nan 8.150 nan 0.000 0.442 325 Y N -0.461 119.745 120.300 -0.157 0.000 2.145 325 Y HA -0.200 4.350 4.550 0.001 0.000 0.286 325 Y C 1.950 177.749 175.900 -0.169 0.000 1.145 325 Y CA 1.880 59.835 58.100 -0.241 0.000 1.148 325 Y CB -0.503 37.679 38.460 -0.464 0.000 0.981 325 Y HN 0.299 nan 8.280 nan 0.000 0.507 326 F N 0.243 120.167 119.950 -0.044 0.000 2.186 326 F HA -0.195 4.332 4.527 0.000 0.000 0.299 326 F C 2.095 177.792 175.800 -0.171 0.000 1.090 326 F CA 1.105 59.012 58.000 -0.156 0.000 1.307 326 F CB -0.287 38.617 39.000 -0.159 0.000 1.019 326 F HN 0.041 nan 8.300 nan 0.000 0.489 327 D N -1.120 119.322 120.400 0.070 0.000 2.178 327 D HA -0.191 4.449 4.640 0.001 0.000 0.202 327 D C 1.846 178.116 176.300 -0.051 0.000 0.974 327 D CA 1.292 55.297 54.000 0.009 0.000 0.841 327 D CB -0.517 40.300 40.800 0.028 0.000 0.953 327 D HN 0.341 nan 8.370 nan 0.000 0.478 328 H N 0.188 119.165 119.070 -0.154 0.000 2.321 328 H HA -0.049 4.507 4.556 0.001 0.000 0.300 328 H C 1.844 177.041 175.328 -0.219 0.000 1.087 328 H CA 1.528 57.465 56.048 -0.185 0.000 1.319 328 H CB -0.116 29.511 29.762 -0.225 0.000 1.379 328 H HN -0.079 nan 8.280 nan 0.000 0.501 329 V N 0.617 120.371 119.914 -0.268 0.000 2.427 329 V HA -0.170 3.951 4.120 0.001 0.000 0.248 329 V C 2.677 178.637 176.094 -0.224 0.000 1.051 329 V CA 1.461 63.595 62.300 -0.276 0.000 1.048 329 V CB -1.077 30.582 31.823 -0.273 0.000 0.666 329 V HN 0.687 nan 8.190 nan 0.000 0.456 330 A N 0.053 122.769 122.820 -0.173 0.000 2.015 330 A HA -0.203 4.118 4.320 0.001 0.000 0.219 330 A C 2.371 179.843 177.584 -0.186 0.000 1.163 330 A CA 1.556 53.500 52.037 -0.155 0.000 0.646 330 A CB -0.603 18.333 19.000 -0.108 0.000 0.806 330 A HN 0.472 nan 8.150 nan 0.000 0.448 331 R N 0.051 120.420 120.500 -0.219 0.000 2.170 331 R HA -0.123 4.217 4.340 0.001 0.000 0.242 331 R C 1.636 177.779 176.300 -0.263 0.000 1.145 331 R CA 1.726 57.678 56.100 -0.247 0.000 0.984 331 R CB -0.190 29.952 30.300 -0.263 0.000 0.869 331 R HN 0.484 nan 8.270 nan 0.000 0.455 332 S N -0.253 115.301 115.700 -0.242 0.000 2.470 332 S HA 0.047 4.517 4.470 0.001 0.000 0.225 332 S C 0.466 174.958 174.600 -0.179 0.000 1.006 332 S CA 0.217 58.294 58.200 -0.206 0.000 0.934 332 S CB 0.539 63.626 63.200 -0.187 0.000 0.778 332 S HN 0.055 nan 8.310 nan 0.000 0.517 333 V N 3.823 123.627 119.914 -0.183 0.000 2.356 333 V HA 0.148 4.268 4.120 0.001 0.000 0.244 333 V C 0.000 176.026 176.094 -0.114 0.000 1.120 333 V CA 0.356 62.552 62.300 -0.174 0.000 1.181 333 V CB -0.870 30.821 31.823 -0.220 0.000 1.244 333 V HN 0.215 nan 8.190 nan 0.000 0.487 334 T N 3.314 117.816 114.554 -0.086 0.000 2.841 334 T HA 0.805 5.156 4.350 0.001 0.000 0.285 334 T C 0.358 175.074 174.700 0.026 0.000 0.991 334 T CA 0.087 62.185 62.100 -0.004 0.000 0.966 334 T CB 1.826 70.671 68.868 -0.038 0.000 0.962 334 T HN 0.988 nan 8.240 nan 0.000 0.438 335 G N 1.133 109.991 108.800 0.096 0.000 2.345 335 G HA2 0.426 4.387 3.960 0.001 0.000 0.285 335 G HA3 0.426 4.387 3.960 0.001 0.000 0.285 335 G C -2.174 172.802 174.900 0.127 0.000 1.297 335 G CA -0.566 44.578 45.100 0.074 0.000 0.875 335 G HN 0.735 nan 8.290 nan 0.000 0.506 336 V N 0.266 120.233 119.914 0.087 0.000 2.709 336 V HA 0.811 4.932 4.120 0.001 0.000 0.308 336 V C 0.404 176.546 176.094 0.080 0.000 1.062 336 V CA -0.061 62.306 62.300 0.112 0.000 0.901 336 V CB 1.371 33.239 31.823 0.076 0.000 1.003 336 V HN 1.819 nan 8.190 nan 0.000 0.425 337 A N 4.358 127.250 122.820 0.119 0.000 2.325 337 A HA 0.904 5.224 4.320 0.001 0.000 0.333 337 A C -0.344 177.295 177.584 0.093 0.000 1.155 337 A CA -0.744 51.341 52.037 0.081 0.000 0.814 337 A CB 1.147 20.199 19.000 0.088 0.000 1.206 337 A HN 0.844 nan 8.150 nan 0.000 0.482 338 R N 1.984 122.531 120.500 0.079 0.000 2.409 338 R HA 0.624 4.965 4.340 0.001 0.000 0.313 338 R C -1.923 174.456 176.300 0.133 0.000 0.953 338 R CA -0.402 55.761 56.100 0.104 0.000 0.849 338 R CB 0.564 30.913 30.300 0.081 0.000 1.171 338 R HN 0.605 nan 8.270 nan 0.000 0.458 339 L N 3.130 124.440 121.223 0.146 0.000 2.354 339 L HA 0.528 4.869 4.340 0.001 0.000 0.269 339 L C -0.502 176.418 176.870 0.083 0.000 1.005 339 L CA -0.682 54.229 54.840 0.119 0.000 0.819 339 L CB 1.873 43.983 42.059 0.085 0.000 1.311 339 L HN 0.482 nan 8.230 nan 0.000 0.423 340 K N 2.597 123.002 120.400 0.009 0.000 2.316 340 K HA 0.605 4.925 4.320 0.001 0.000 0.267 340 K C -1.331 175.214 176.600 -0.091 0.000 1.025 340 K CA -0.356 55.790 56.287 -0.235 0.000 0.896 340 K CB 0.575 32.888 32.500 -0.312 0.000 1.124 340 K HN 0.537 nan 8.250 nan 0.000 0.451 341 L N 4.797 125.885 121.223 -0.224 0.000 2.312 341 L HA 0.439 4.779 4.340 0.001 0.000 0.281 341 L C -0.831 175.922 176.870 -0.194 0.000 1.070 341 L CA -1.004 53.680 54.840 -0.260 0.000 0.805 341 L CB 0.568 42.328 42.059 -0.499 0.000 1.174 341 L HN 0.643 nan 8.230 nan 0.000 0.434 342 Y N 3.084 123.297 120.300 -0.144 0.000 2.275 342 Y HA 0.159 4.709 4.550 0.000 0.000 0.319 342 Y C -0.595 175.347 175.900 0.071 0.000 1.204 342 Y CA -1.476 56.628 58.100 0.006 0.000 1.136 342 Y CB 0.940 39.436 38.460 0.059 0.000 1.228 342 Y HN 0.567 nan 8.280 nan 0.000 0.413 343 K N 4.962 125.108 120.400 -0.424 0.000 4.430 343 K HA -0.219 4.101 4.320 0.001 0.000 0.283 343 K C 1.005 177.478 176.600 -0.211 0.000 0.845 343 K CA 1.385 57.433 56.287 -0.397 0.000 0.819 343 K CB -1.357 30.730 32.500 -0.689 0.000 1.735 343 K HN 1.460 nan 8.250 nan 0.000 0.429 344 G N -0.258 108.466 108.800 -0.127 0.000 2.212 344 G HA2 -0.332 3.629 3.960 0.001 0.000 0.266 344 G HA3 -0.332 3.629 3.960 0.001 0.000 0.266 344 G C 0.057 174.877 174.900 -0.134 0.000 0.978 344 G CA 0.452 45.477 45.100 -0.126 0.000 0.632 344 G HN 0.520 nan 8.290 nan 0.000 0.537 345 N N -0.648 117.958 118.700 -0.155 0.000 2.404 345 N HA 0.683 5.423 4.740 0.001 0.000 0.297 345 N C -0.632 174.667 175.510 -0.352 0.000 1.163 345 N CA -0.301 52.563 53.050 -0.309 0.000 0.864 345 N CB 2.063 40.263 38.487 -0.479 0.000 1.247 345 N HN 0.148 nan 8.380 nan 0.000 0.510 346 V N 2.961 122.576 119.914 -0.499 0.000 2.409 346 V HA 0.385 4.506 4.120 0.001 0.000 0.290 346 V C -1.276 174.517 176.094 -0.502 0.000 1.017 346 V CA -0.607 61.479 62.300 -0.357 0.000 0.841 346 V CB 0.402 32.109 31.823 -0.193 0.000 1.003 346 V HN 0.505 nan 8.190 nan 0.000 0.426 347 Y N 2.897 123.129 120.300 -0.112 0.000 2.352 347 Y HA 0.561 5.111 4.550 0.000 0.000 0.339 347 Y C 0.236 176.100 175.900 -0.060 0.000 0.992 347 Y CA -1.024 57.017 58.100 -0.099 0.000 1.100 347 Y CB 1.948 40.362 38.460 -0.077 0.000 1.192 347 Y HN 0.357 nan 8.280 nan 0.000 0.458 348 V N 4.793 124.766 119.914 0.099 0.000 2.455 348 V HA 0.062 4.182 4.120 0.001 0.000 0.273 348 V C 0.656 176.801 176.094 0.085 0.000 1.045 348 V CA -0.068 62.279 62.300 0.077 0.000 0.976 348 V CB 0.847 32.698 31.823 0.047 0.000 0.993 348 V HN 0.836 nan 8.190 nan 0.000 0.475 349 V N 1.848 121.817 119.914 0.093 0.000 3.556 349 V HA 0.757 4.878 4.120 0.001 0.000 0.287 349 V C 0.615 176.736 176.094 0.046 0.000 1.422 349 V CA 0.629 62.979 62.300 0.083 0.000 1.038 349 V CB 0.203 32.123 31.823 0.161 0.000 0.850 349 V HN 0.915 nan 8.190 nan 0.000 0.437 350 G N 0.896 109.718 108.800 0.037 0.000 2.547 350 G HA2 0.693 4.654 3.960 0.001 0.000 0.291 350 G HA3 0.693 4.654 3.960 0.001 0.000 0.291 350 G C -1.676 173.222 174.900 -0.002 0.000 1.471 350 G CA -0.586 44.516 45.100 0.003 0.000 0.798 350 G HN 0.590 nan 8.290 nan 0.000 0.504 351 R N -0.070 120.414 120.500 -0.026 0.000 2.634 351 R HA 0.674 5.014 4.340 0.001 0.000 0.263 351 R C -1.533 174.747 176.300 -0.032 0.000 1.060 351 R CA -0.980 55.103 56.100 -0.028 0.000 0.898 351 R CB 1.082 31.349 30.300 -0.054 0.000 1.253 351 R HN 1.042 nan 8.270 nan 0.000 0.461 352 K N 0.620 121.011 120.400 -0.014 0.000 2.551 352 K HA 0.870 5.190 4.320 0.001 0.000 0.269 352 K C -1.696 174.907 176.600 0.005 0.000 0.949 352 K CA -0.878 55.407 56.287 -0.003 0.000 0.849 352 K CB 2.609 35.114 32.500 0.008 0.000 1.411 352 K HN 0.817 nan 8.250 nan 0.000 0.432 353 A N 1.701 124.527 122.820 0.009 0.000 2.520 353 A HA 0.548 4.868 4.320 0.001 0.000 0.298 353 A C -2.263 175.331 177.584 0.017 0.000 1.051 353 A CA -1.295 50.748 52.037 0.010 0.000 0.690 353 A CB 1.385 20.378 19.000 -0.012 0.000 1.281 353 A HN 0.658 nan 8.150 nan 0.000 0.402 354 P HA -0.100 nan 4.420 nan 0.000 0.217 354 P C 0.394 177.700 177.300 0.010 0.000 1.150 354 P CA 1.326 64.439 63.100 0.022 0.000 0.832 354 P CB 0.296 32.018 31.700 0.036 0.000 0.787 355 K N 0.319 120.719 120.400 -0.001 0.000 2.981 355 K HA 0.219 4.539 4.320 0.001 0.000 0.213 355 K C 0.307 176.899 176.600 -0.013 0.000 1.154 355 K CA -0.252 56.027 56.287 -0.012 0.000 1.111 355 K CB 0.290 32.773 32.500 -0.028 0.000 0.975 355 K HN -0.050 nan 8.250 nan 0.000 0.462 356 S N 0.737 116.439 115.700 0.004 0.000 2.552 356 S HA 0.070 4.540 4.470 0.001 0.000 0.289 356 S C 1.041 175.655 174.600 0.023 0.000 1.304 356 S CA -0.279 57.934 58.200 0.020 0.000 1.063 356 S CB 0.383 63.616 63.200 0.055 0.000 0.848 356 S HN 0.399 nan 8.310 nan 0.000 0.499 357 L N 4.205 125.445 121.223 0.029 0.000 2.611 357 L HA 0.232 4.573 4.340 0.001 0.000 0.229 357 L C 0.165 177.066 176.870 0.051 0.000 1.137 357 L CA -0.176 54.674 54.840 0.017 0.000 0.901 357 L CB -0.317 41.741 42.059 -0.002 0.000 1.098 357 L HN 0.684 nan 8.230 nan 0.000 0.456 358 Y N 2.054 122.327 120.300 -0.044 0.000 2.316 358 Y HA 0.365 4.916 4.550 0.001 0.000 0.331 358 Y C 0.060 175.935 175.900 -0.042 0.000 1.083 358 Y CA -0.653 57.421 58.100 -0.044 0.000 1.206 358 Y CB 0.492 38.928 38.460 -0.040 0.000 1.195 358 Y HN -0.021 nan 8.280 nan 0.000 0.497 359 R N 5.711 125.752 120.500 -0.765 0.000 2.473 359 R HA 0.110 4.450 4.340 0.001 0.000 0.303 359 R C 0.656 176.446 176.300 -0.849 0.000 1.002 359 R CA -0.561 55.165 56.100 -0.624 0.000 0.884 359 R CB 1.668 31.781 30.300 -0.311 0.000 1.173 359 R HN 0.865 nan 8.270 nan 0.000 0.464 360 Q N 2.645 122.005 119.800 -0.733 0.000 2.124 360 Q HA -0.193 4.148 4.340 0.001 0.000 0.202 360 Q C 0.932 176.769 176.000 -0.271 0.000 0.977 360 Q CA 2.133 57.675 55.803 -0.436 0.000 0.850 360 Q CB 0.281 28.928 28.738 -0.152 0.000 0.901 360 Q HN 0.686 nan 8.270 nan 0.000 0.429 361 D N 0.388 120.647 120.400 -0.235 0.000 2.190 361 D HA -0.226 4.415 4.640 0.001 0.000 0.200 361 D C 1.721 177.897 176.300 -0.207 0.000 0.992 361 D CA 1.057 54.951 54.000 -0.177 0.000 0.854 361 D CB -0.314 40.404 40.800 -0.138 0.000 0.936 361 D HN 0.416 nan 8.370 nan 0.000 0.462 362 L N 0.766 121.840 121.223 -0.248 0.000 2.341 362 L HA -0.028 4.313 4.340 0.001 0.000 0.214 362 L C 2.647 179.295 176.870 -0.369 0.000 1.115 362 L CA 0.387 55.066 54.840 -0.268 0.000 0.820 362 L CB -0.082 41.839 42.059 -0.230 0.000 0.944 362 L HN 0.067 nan 8.230 nan 0.000 0.452 363 V N -4.454 115.274 119.914 -0.309 0.000 2.922 363 V HA 0.151 4.271 4.120 0.001 0.000 0.242 363 V C 1.505 177.421 176.094 -0.296 0.000 1.094 363 V CA 0.181 62.322 62.300 -0.265 0.000 1.106 363 V CB -0.271 31.502 31.823 -0.083 0.000 0.799 363 V HN 0.350 nan 8.190 nan 0.000 0.474 364 S N 0.495 116.065 115.700 -0.217 0.000 2.587 364 S HA 0.480 4.950 4.470 0.001 0.000 0.260 364 S C -0.584 173.823 174.600 -0.321 0.000 1.353 364 S CA -0.075 58.059 58.200 -0.111 0.000 0.995 364 S CB 0.233 63.402 63.200 -0.051 0.000 0.912 364 S HN 0.382 nan 8.310 nan 0.000 0.568 371 Y N 1.848 122.091 120.300 -0.094 0.000 2.328 371 Y HA 0.632 5.183 4.550 0.000 0.000 0.336 371 Y C -1.441 174.408 175.900 -0.085 0.000 0.960 371 Y CA -1.186 56.854 58.100 -0.100 0.000 1.134 371 Y CB 1.993 40.374 38.460 -0.131 0.000 1.166 371 Y HN 0.013 nan 8.280 nan 0.000 0.464 372 D N 5.228 125.312 120.400 -0.527 0.000 2.381 372 D HA 0.074 4.714 4.640 0.001 0.000 0.235 372 D C 0.906 177.013 176.300 -0.321 0.000 1.068 372 D CA -0.419 53.414 54.000 -0.279 0.000 0.832 372 D CB 1.403 42.084 40.800 -0.198 0.000 1.101 372 D HN 0.737 nan 8.370 nan 0.000 0.515 373 Q N 3.956 123.741 119.800 -0.026 0.000 2.133 373 Q HA -0.277 4.063 4.340 0.001 0.000 0.208 373 Q C 0.983 176.992 176.000 0.016 0.000 0.991 373 Q CA 1.446 57.306 55.803 0.095 0.000 0.867 373 Q CB -0.299 28.519 28.738 0.134 0.000 0.911 373 Q HN 0.283 nan 8.270 nan 0.000 0.417 374 K N 1.010 121.398 120.400 -0.020 0.000 2.362 374 K HA -0.085 4.235 4.320 0.001 0.000 0.200 374 K C 1.529 178.110 176.600 -0.032 0.000 1.046 374 K CA 1.193 57.473 56.287 -0.012 0.000 0.952 374 K CB -0.084 32.408 32.500 -0.012 0.000 0.753 374 K HN 0.261 nan 8.250 nan 0.000 0.466 375 D N -0.168 120.168 120.400 -0.107 0.000 2.144 375 D HA -0.121 4.519 4.640 0.001 0.000 0.199 375 D C 1.626 177.911 176.300 -0.026 0.000 0.984 375 D CA 1.275 55.208 54.000 -0.111 0.000 0.834 375 D CB -0.107 40.540 40.800 -0.255 0.000 0.955 375 D HN 0.257 nan 8.370 nan 0.000 0.465 376 A N 0.909 123.721 122.820 -0.015 0.000 1.933 376 A HA -0.228 4.092 4.320 0.001 0.000 0.218 376 A C 2.103 179.796 177.584 0.183 0.000 1.175 376 A CA 1.772 53.879 52.037 0.116 0.000 0.628 376 A CB -0.549 18.543 19.000 0.154 0.000 0.814 376 A HN 0.294 nan 8.150 nan 0.000 0.444 377 E N -0.495 119.770 120.200 0.108 0.000 2.077 377 E HA -0.127 4.224 4.350 0.001 0.000 0.193 377 E C 2.038 178.690 176.600 0.086 0.000 0.989 377 E CA 1.126 57.581 56.400 0.091 0.000 0.800 377 E CB -0.429 29.305 29.700 0.055 0.000 0.746 377 E HN 0.503 nan 8.360 nan 0.000 0.452 378 G N 0.254 109.104 108.800 0.082 0.000 2.408 378 G HA2 -0.270 3.690 3.960 0.001 0.000 0.217 378 G HA3 -0.270 3.690 3.960 0.001 0.000 0.217 378 G C 1.327 176.287 174.900 0.099 0.000 1.150 378 G CA 0.549 45.690 45.100 0.067 0.000 0.776 378 G HN 0.377 nan 8.290 nan 0.000 0.542 379 F N 1.514 121.461 119.950 -0.005 0.000 2.095 379 F HA -0.040 4.488 4.527 0.001 0.000 0.298 379 F C 2.429 178.236 175.800 0.012 0.000 1.104 379 F CA 1.295 59.297 58.000 0.003 0.000 1.232 379 F CB -0.216 38.791 39.000 0.012 0.000 0.987 379 F HN 0.100 nan 8.300 nan 0.000 0.475 380 I N 0.397 121.006 120.570 0.065 0.000 2.179 380 I HA -0.321 3.849 4.170 0.001 0.000 0.242 380 I C 2.432 178.497 176.117 -0.088 0.000 1.088 380 I CA 1.480 62.757 61.300 -0.040 0.000 1.357 380 I CB -0.540 37.510 38.000 0.083 0.000 1.051 380 I HN 0.117 nan 8.210 nan 0.000 0.409 381 K N 0.446 120.823 120.400 -0.038 0.000 2.057 381 K HA -0.131 4.190 4.320 0.001 0.000 0.207 381 K C 2.092 178.649 176.600 -0.070 0.000 1.049 381 K CA 1.221 57.484 56.287 -0.040 0.000 0.931 381 K CB -0.077 32.415 32.500 -0.013 0.000 0.714 381 K HN 0.260 nan 8.250 nan 0.000 0.440 382 I N 1.722 122.236 120.570 -0.094 0.000 2.179 382 I HA -0.240 3.930 4.170 0.001 0.000 0.242 382 I C 2.372 178.397 176.117 -0.153 0.000 1.088 382 I CA 1.390 62.627 61.300 -0.105 0.000 1.357 382 I CB -1.120 36.821 38.000 -0.099 0.000 1.051 382 I HN 0.222 nan 8.210 nan 0.000 0.409 383 Q N 0.597 120.240 119.800 -0.262 0.000 2.124 383 Q HA -0.096 4.245 4.340 0.001 0.000 0.202 383 Q C 2.289 178.197 176.000 -0.153 0.000 0.977 383 Q CA 1.753 57.392 55.803 -0.273 0.000 0.850 383 Q CB -0.340 28.128 28.738 -0.450 0.000 0.901 383 Q HN 0.554 nan 8.270 nan 0.000 0.429 384 A N 0.441 123.189 122.820 -0.120 0.000 2.119 384 A HA -0.055 4.266 4.320 0.001 0.000 0.216 384 A C 2.046 179.599 177.584 -0.053 0.000 1.152 384 A CA 0.311 52.306 52.037 -0.071 0.000 0.708 384 A CB -0.361 18.609 19.000 -0.051 0.000 0.805 384 A HN 0.284 nan 8.150 nan 0.000 0.460 385 L N 1.433 122.622 121.223 -0.057 0.000 1.978 385 L HA -0.280 4.060 4.340 0.001 0.000 0.218 385 L C 2.745 179.595 176.870 -0.034 0.000 1.075 385 L CA 2.826 57.642 54.840 -0.041 0.000 0.767 385 L CB -0.628 41.406 42.059 -0.041 0.000 0.890 385 L HN 0.613 nan 8.230 nan 0.000 0.434 386 R N -0.507 119.971 120.500 -0.037 0.000 2.127 386 R HA -0.180 4.160 4.340 0.001 0.000 0.238 386 R C 2.142 178.427 176.300 -0.024 0.000 1.134 386 R CA 2.038 58.121 56.100 -0.028 0.000 0.975 386 R CB -1.114 29.169 30.300 -0.029 0.000 0.865 386 R HN 0.476 nan 8.270 nan 0.000 0.447 387 L N 0.536 121.742 121.223 -0.027 0.000 2.056 387 L HA -0.042 4.298 4.340 0.001 0.000 0.207 387 L C 2.839 179.699 176.870 -0.017 0.000 1.078 387 L CA 1.349 56.176 54.840 -0.021 0.000 0.749 387 L CB -0.462 41.583 42.059 -0.023 0.000 0.901 387 L HN 0.195 nan 8.230 nan 0.000 0.433 388 R N -0.232 120.257 120.500 -0.018 0.000 2.092 388 R HA -0.079 4.261 4.340 0.001 0.000 0.231 388 R C 2.260 178.553 176.300 -0.012 0.000 1.119 388 R CA 1.082 57.173 56.100 -0.014 0.000 0.970 388 R CB -0.602 29.689 30.300 -0.015 0.000 0.864 388 R HN 0.208 nan 8.270 nan 0.000 0.440 389 V N 1.488 121.394 119.914 -0.014 0.000 2.343 389 V HA -0.254 3.866 4.120 0.001 0.000 0.247 389 V C 2.602 178.690 176.094 -0.010 0.000 1.051 389 V CA 1.784 64.077 62.300 -0.012 0.000 1.036 389 V CB -0.653 31.162 31.823 -0.013 0.000 0.654 389 V HN 0.326 nan 8.190 nan 0.000 0.451 390 R N 0.355 120.849 120.500 -0.011 0.000 2.080 390 R HA -0.209 4.131 4.340 0.001 0.000 0.236 390 R C 2.341 178.637 176.300 -0.007 0.000 1.137 390 R CA 1.924 58.019 56.100 -0.009 0.000 0.943 390 R CB -0.516 29.778 30.300 -0.009 0.000 0.846 390 R HN 0.475 nan 8.270 nan 0.000 0.431 391 A N 1.238 124.054 122.820 -0.007 0.000 1.883 391 A HA -0.158 4.162 4.320 0.001 0.000 0.217 391 A C 2.298 179.879 177.584 -0.005 0.000 1.186 391 A CA 1.467 53.501 52.037 -0.005 0.000 0.624 391 A CB -0.667 18.330 19.000 -0.005 0.000 0.822 391 A HN 0.367 nan 8.150 nan 0.000 0.444 392 L N -0.450 120.770 121.223 -0.005 0.000 2.042 392 L HA -0.191 4.149 4.340 0.001 0.000 0.210 392 L C 2.489 179.356 176.870 -0.004 0.000 1.076 392 L CA 1.248 56.085 54.840 -0.005 0.000 0.749 392 L CB -0.587 41.468 42.059 -0.006 0.000 0.893 392 L HN 0.262 nan 8.230 nan 0.000 0.432 393 V N -0.732 119.179 119.914 -0.005 0.000 2.427 393 V HA -0.187 3.934 4.120 0.001 0.000 0.248 393 V C 2.283 178.375 176.094 -0.004 0.000 1.051 393 V CA 1.360 63.657 62.300 -0.004 0.000 1.048 393 V CB -0.509 31.311 31.823 -0.005 0.000 0.666 393 V HN 0.421 nan 8.190 nan 0.000 0.456 394 E N -0.176 120.022 120.200 -0.003 0.000 2.418 394 E HA 0.027 4.377 4.350 0.001 0.000 0.197 394 E C 0.786 177.385 176.600 -0.002 0.000 1.026 394 E CA 0.075 56.474 56.400 -0.003 0.000 0.862 394 E CB -0.128 29.570 29.700 -0.003 0.000 0.799 394 E HN 0.580 nan 8.360 nan 0.000 0.518 395 R N 0.000 120.498 120.500 -0.003 0.000 2.786 395 R HA 0.000 4.340 4.340 0.001 0.000 0.208 395 R CA 0.000 56.099 56.100 -0.002 0.000 0.921 395 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535