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 3l71_1_N DATA FIRST_RESID 3 DATA SEQUENCE TYAQTLQNIP ETNVTTLDNG LRVASEESSQ PTCTVGVWIG AGSRYENEKN DATA SEQUENCE NGAGYFVEHL AFKGTKKRPC AAFEKEVESM GAHFNGYTSR EQTAFYIKAL DATA SEQUENCE SKDMPKVVEL LADVVQNCAL EESQIEKERG VILQELKEMD NDMTNVTFDY DATA SEQUENCE LHATAFQGTA LARTVEGTTE NIKHLTRADL ASYIDTHFKA PRMVLAAAGG DATA SEQUENCE ISHKELVDAA RQHFSGVSFT YKEDAVPILP RCRFTGSEIR ARDDALPVAH DATA SEQUENCE VALAVEGPGW ADPDNVVLHV ANAIIGRYDR TFGGGKHLSS RLAALAVEHK DATA SEQUENCE LCHSFQTFNT SYSDTGLFGF HFVADPLSID DMMFCAQGEW MRLCTSTTES DATA SEQUENCE EVKRAKNHLR SAMVAQLDGT TPVCETIGSH LLNYGRRISL EEWDSRISAV DATA SEQUENCE DARMVRDVCS KYIYDKCPAL AAVGPIEQLL DYNRIRSGMY WI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.757 174.700 0.095 0.000 1.109 3 T CA 0.000 62.142 62.100 0.070 0.000 1.349 3 T CB 0.000 68.904 68.868 0.060 0.000 0.612 4 Y N 2.496 122.801 120.300 0.007 0.000 2.097 4 Y HA 0.064 4.614 4.550 -0.000 0.000 0.282 4 Y C 2.692 178.598 175.900 0.010 0.000 1.152 4 Y CA 3.093 61.198 58.100 0.009 0.000 1.136 4 Y CB -1.025 37.442 38.460 0.012 0.000 0.975 4 Y HN 0.963 nan 8.280 nan 0.000 0.498 5 A N 0.484 123.258 122.820 -0.077 0.000 1.869 5 A HA -0.367 3.953 4.320 -0.000 0.000 0.218 5 A C 2.119 179.605 177.584 -0.164 0.000 1.203 5 A CA 2.603 54.544 52.037 -0.161 0.000 0.638 5 A CB -1.066 17.923 19.000 -0.019 0.000 0.831 5 A HN 0.728 nan 8.150 nan 0.000 0.450 6 Q N -0.860 118.889 119.800 -0.085 0.000 2.050 6 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 6 Q C 2.319 178.267 176.000 -0.086 0.000 0.980 6 Q CA 2.197 57.959 55.803 -0.067 0.000 0.840 6 Q CB -0.737 27.983 28.738 -0.031 0.000 0.898 6 Q HN 0.899 nan 8.270 nan 0.000 0.424 7 T N 0.150 114.653 114.554 -0.085 0.000 2.778 7 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 7 T C 1.853 176.482 174.700 -0.118 0.000 1.050 7 T CA 1.040 63.094 62.100 -0.077 0.000 1.137 7 T CB -0.386 68.459 68.868 -0.040 0.000 0.860 7 T HN 0.147 nan 8.240 nan 0.000 0.468 8 L N 0.463 121.560 121.223 -0.208 0.000 2.056 8 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 8 L C 3.198 179.989 176.870 -0.131 0.000 1.078 8 L CA 1.524 56.239 54.840 -0.210 0.000 0.749 8 L CB -0.531 41.325 42.059 -0.338 0.000 0.901 8 L HN 0.367 nan 8.230 nan 0.000 0.433 9 Q N -0.233 119.498 119.800 -0.116 0.000 2.079 9 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 9 Q C 1.412 177.372 176.000 -0.067 0.000 0.974 9 Q CA 1.392 57.146 55.803 -0.082 0.000 0.840 9 Q CB -0.132 28.565 28.738 -0.069 0.000 0.898 9 Q HN 0.420 nan 8.270 nan 0.000 0.430 10 N N 0.233 118.896 118.700 -0.062 0.000 2.567 10 N HA 0.062 4.802 4.740 -0.000 0.000 0.195 10 N C -0.470 175.011 175.510 -0.047 0.000 1.242 10 N CA 0.323 53.344 53.050 -0.048 0.000 0.884 10 N CB 0.104 38.568 38.487 -0.038 0.000 1.007 10 N HN 0.196 nan 8.380 nan 0.000 0.450 11 I N 2.488 123.024 120.570 -0.057 0.000 2.452 11 I HA 0.109 4.279 4.170 -0.000 0.000 0.287 11 I C -1.652 174.432 176.117 -0.055 0.000 1.079 11 I CA -1.846 59.422 61.300 -0.054 0.000 1.387 11 I CB 0.489 38.453 38.000 -0.059 0.000 1.404 11 I HN -0.059 nan 8.210 nan 0.000 0.522 12 P HA -0.054 nan 4.420 nan 0.000 0.261 12 P C -0.284 176.976 177.300 -0.067 0.000 1.173 12 P CA 0.205 63.274 63.100 -0.051 0.000 0.760 12 P CB 0.606 32.281 31.700 -0.042 0.000 0.783 13 E N 1.289 121.446 120.200 -0.072 0.000 2.404 13 E HA 0.108 4.458 4.350 -0.000 0.000 0.261 13 E C -0.250 176.285 176.600 -0.109 0.000 1.074 13 E CA -0.132 56.214 56.400 -0.089 0.000 0.917 13 E CB 0.474 30.122 29.700 -0.086 0.000 0.965 13 E HN 0.355 nan 8.360 nan 0.000 0.433 14 T N 3.990 118.471 114.554 -0.122 0.000 2.743 14 T HA 0.227 4.577 4.350 -0.000 0.000 0.293 14 T C -0.418 174.171 174.700 -0.184 0.000 0.945 14 T CA -0.723 61.293 62.100 -0.141 0.000 1.030 14 T CB 0.302 69.091 68.868 -0.132 0.000 0.912 14 T HN 0.329 nan 8.240 nan 0.000 0.483 15 N N 2.786 121.310 118.700 -0.293 0.000 2.434 15 N HA 0.423 5.163 4.740 -0.000 0.000 0.272 15 N C -0.866 174.400 175.510 -0.408 0.000 1.040 15 N CA -0.317 52.427 53.050 -0.510 0.000 0.956 15 N CB 1.838 39.657 38.487 -1.113 0.000 1.108 15 N HN 0.266 nan 8.380 nan 0.000 0.481 16 V N 1.278 121.081 119.914 -0.186 0.000 2.588 16 V HA 0.584 4.704 4.120 -0.000 0.000 0.304 16 V C 0.085 176.228 176.094 0.083 0.000 1.042 16 V CA -0.706 61.592 62.300 -0.003 0.000 0.877 16 V CB 1.754 33.570 31.823 -0.012 0.000 0.996 16 V HN 0.843 nan 8.190 nan 0.000 0.425 17 T N 0.001 114.654 114.554 0.164 0.000 2.916 17 T HA 0.631 4.981 4.350 -0.000 0.000 0.305 17 T C -0.559 174.186 174.700 0.075 0.000 1.119 17 T CA -0.686 61.492 62.100 0.131 0.000 1.008 17 T CB 1.957 70.935 68.868 0.183 0.000 1.129 17 T HN 0.528 nan 8.240 nan 0.000 0.480 18 T N 3.454 118.036 114.554 0.047 0.000 2.794 18 T HA 0.548 4.898 4.350 -0.000 0.000 0.280 18 T C 0.260 174.971 174.700 0.019 0.000 0.987 18 T CA -0.867 61.249 62.100 0.027 0.000 0.993 18 T CB 0.668 69.548 68.868 0.021 0.000 0.939 18 T HN 0.586 nan 8.240 nan 0.000 0.449 19 L N 2.881 124.111 121.223 0.011 0.000 2.349 19 L HA 0.224 4.564 4.340 -0.000 0.000 0.275 19 L C 1.183 178.055 176.870 0.003 0.000 1.115 19 L CA -0.730 54.117 54.840 0.012 0.000 0.820 19 L CB 0.542 42.614 42.059 0.021 0.000 1.135 19 L HN 0.689 nan 8.230 nan 0.000 0.445 20 D N 1.464 121.864 120.400 0.001 0.000 2.271 20 D HA -0.179 4.461 4.640 -0.000 0.000 0.207 20 D C 1.378 177.666 176.300 -0.020 0.000 0.983 20 D CA 1.231 55.226 54.000 -0.008 0.000 0.878 20 D CB -0.084 40.709 40.800 -0.011 0.000 0.920 20 D HN 0.633 nan 8.370 nan 0.000 0.479 21 N N 0.082 118.770 118.700 -0.020 0.000 2.521 21 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 21 N C 1.439 176.933 175.510 -0.026 0.000 1.146 21 N CA 1.066 54.096 53.050 -0.034 0.000 0.893 21 N CB 0.517 38.992 38.487 -0.020 0.000 0.975 21 N HN 0.257 nan 8.380 nan 0.000 0.451 22 G N 0.362 109.152 108.800 -0.018 0.000 2.195 22 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.224 22 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.224 22 G C -0.259 174.626 174.900 -0.024 0.000 0.990 22 G CA 0.087 45.178 45.100 -0.015 0.000 0.639 22 G HN 0.421 nan 8.290 nan 0.000 0.514 23 L N 1.079 122.278 121.223 -0.041 0.000 2.371 23 L HA 0.783 5.123 4.340 -0.000 0.000 0.272 23 L C 0.525 177.367 176.870 -0.046 0.000 1.124 23 L CA -0.840 53.953 54.840 -0.078 0.000 0.816 23 L CB 0.607 42.569 42.059 -0.163 0.000 1.129 23 L HN 0.201 nan 8.230 nan 0.000 0.448 24 R N 3.235 123.710 120.500 -0.042 0.000 2.460 24 R HA 0.606 4.946 4.340 -0.000 0.000 0.303 24 R C -1.377 174.927 176.300 0.007 0.000 0.968 24 R CA -0.694 55.405 56.100 -0.003 0.000 0.889 24 R CB 2.103 32.409 30.300 0.009 0.000 1.123 24 R HN 0.407 nan 8.270 nan 0.000 0.455 25 V N 2.451 122.395 119.914 0.051 0.000 2.448 25 V HA 0.721 4.841 4.120 -0.000 0.000 0.295 25 V C -0.422 175.777 176.094 0.174 0.000 1.025 25 V CA -0.586 61.767 62.300 0.089 0.000 0.859 25 V CB 1.553 33.415 31.823 0.065 0.000 0.988 25 V HN 0.937 nan 8.190 nan 0.000 0.431 26 A N 4.050 126.951 122.820 0.135 0.000 2.454 26 A HA 1.049 5.369 4.320 -0.000 0.000 0.302 26 A C -0.361 177.275 177.584 0.088 0.000 1.079 26 A CA -0.205 51.888 52.037 0.093 0.000 0.731 26 A CB 2.215 21.218 19.000 0.005 0.000 1.299 26 A HN 1.347 nan 8.150 nan 0.000 0.413 27 S N -0.047 115.670 115.700 0.028 0.000 2.578 27 S HA 0.599 5.069 4.470 -0.000 0.000 0.272 27 S C -1.316 173.261 174.600 -0.039 0.000 1.145 27 S CA -0.602 57.615 58.200 0.029 0.000 0.835 27 S CB 1.406 64.686 63.200 0.132 0.000 1.104 27 S HN 1.014 nan 8.310 nan 0.000 0.458 28 E N 0.586 120.767 120.200 -0.032 0.000 2.220 28 E HA 0.337 4.687 4.350 -0.000 0.000 0.256 28 E C -1.021 175.567 176.600 -0.020 0.000 0.881 28 E CA -0.306 56.065 56.400 -0.048 0.000 0.766 28 E CB 1.303 30.962 29.700 -0.067 0.000 1.187 28 E HN 0.670 nan 8.360 nan 0.000 0.419 29 E N 3.434 123.625 120.200 -0.015 0.000 2.194 29 E HA 0.208 4.558 4.350 -0.000 0.000 0.284 29 E C -0.804 175.790 176.600 -0.009 0.000 1.035 29 E CA -0.251 56.149 56.400 -0.000 0.000 0.836 29 E CB 0.881 30.587 29.700 0.011 0.000 1.070 29 E HN 0.534 nan 8.360 nan 0.000 0.401 30 S N 2.320 118.017 115.700 -0.004 0.000 2.759 30 S HA 0.270 4.740 4.470 -0.000 0.000 0.310 30 S C 0.295 174.894 174.600 -0.002 0.000 1.123 30 S CA -0.796 57.400 58.200 -0.006 0.000 0.959 30 S CB 1.648 64.844 63.200 -0.007 0.000 1.172 30 S HN 0.314 nan 8.310 nan 0.000 0.539 31 S N 0.175 115.873 115.700 -0.003 0.000 2.677 31 S HA 0.227 4.697 4.470 -0.000 0.000 0.246 31 S C -0.136 174.464 174.600 -0.001 0.000 1.005 31 S CA -0.435 57.764 58.200 -0.002 0.000 1.062 31 S CB -0.991 62.207 63.200 -0.003 0.000 0.778 31 S HN 0.613 nan 8.310 nan 0.000 0.461 32 Q N 2.027 121.827 119.800 0.001 0.000 2.278 32 Q HA 0.278 4.618 4.340 -0.000 0.000 0.257 32 Q C -1.663 174.337 176.000 -0.000 0.000 0.928 32 Q CA -2.330 53.474 55.803 0.001 0.000 0.932 32 Q CB 1.501 30.241 28.738 0.003 0.000 1.221 32 Q HN 0.230 nan 8.270 nan 0.000 0.434 33 P HA -0.134 nan 4.420 nan 0.000 0.228 33 P C 0.395 177.689 177.300 -0.011 0.000 1.151 33 P CA 1.041 64.137 63.100 -0.007 0.000 0.770 33 P CB 0.440 32.135 31.700 -0.009 0.000 0.786 34 T N -0.799 113.751 114.554 -0.007 0.000 2.932 34 T HA 0.578 4.928 4.350 -0.000 0.000 0.289 34 T C -0.609 174.094 174.700 0.004 0.000 1.039 34 T CA -0.506 61.589 62.100 -0.009 0.000 1.024 34 T CB 1.232 70.093 68.868 -0.011 0.000 1.090 34 T HN 0.271 nan 8.240 nan 0.000 0.496 35 C N 0.748 120.053 119.300 0.009 0.000 3.314 35 C HA 0.912 5.372 4.460 -0.000 0.000 0.344 35 C C -0.939 174.083 174.990 0.055 0.000 1.461 35 C CA -0.607 58.429 59.018 0.029 0.000 1.249 35 C CB 1.079 28.834 27.740 0.026 0.000 1.632 35 C HN 0.847 nan 8.230 nan 0.000 0.452 36 T N 1.404 116.009 114.554 0.084 0.000 2.928 36 T HA 0.709 5.059 4.350 -0.000 0.000 0.296 36 T C -0.641 174.162 174.700 0.172 0.000 1.000 36 T CA -0.301 61.886 62.100 0.145 0.000 0.989 36 T CB 1.356 70.327 68.868 0.171 0.000 1.005 36 T HN 1.995 nan 8.240 nan 0.000 0.442 37 V N 0.184 120.218 119.914 0.199 0.000 2.841 37 V HA 1.105 5.225 4.120 -0.000 0.000 0.310 37 V C -0.283 175.976 176.094 0.275 0.000 1.090 37 V CA -0.456 61.979 62.300 0.225 0.000 0.930 37 V CB 1.616 33.523 31.823 0.140 0.000 1.014 37 V HN 1.189 nan 8.190 nan 0.000 0.425 38 G N 0.908 109.924 108.800 0.360 0.000 2.559 38 G HA2 0.616 4.576 3.960 -0.000 0.000 0.291 38 G HA3 0.616 4.576 3.960 -0.000 0.000 0.291 38 G C -1.810 173.212 174.900 0.203 0.000 1.424 38 G CA -0.124 45.105 45.100 0.215 0.000 0.786 38 G HN 1.708 nan 8.290 nan 0.000 0.485 39 V N 0.931 120.839 119.914 -0.010 0.000 2.448 39 V HA 0.711 4.831 4.120 -0.000 0.000 0.295 39 V C -1.059 174.918 176.094 -0.195 0.000 1.025 39 V CA -0.964 61.352 62.300 0.027 0.000 0.859 39 V CB 1.139 32.968 31.823 0.010 0.000 0.988 39 V HN 0.642 nan 8.190 nan 0.000 0.431 40 W N 7.474 128.754 121.300 -0.033 0.000 2.349 40 W HA 0.556 5.216 4.660 -0.000 0.000 0.309 40 W C -0.488 175.976 176.519 -0.091 0.000 1.083 40 W CA -0.545 56.757 57.345 -0.071 0.000 1.224 40 W CB 1.726 31.163 29.460 -0.039 0.000 1.256 40 W HN 0.468 nan 8.180 nan 0.000 0.461 41 I N 2.226 122.771 120.570 -0.042 0.000 2.412 41 I HA 0.283 4.453 4.170 -0.000 0.000 0.296 41 I C 1.176 177.290 176.117 -0.005 0.000 0.987 41 I CA -0.682 60.594 61.300 -0.040 0.000 1.180 41 I CB 1.542 39.470 38.000 -0.120 0.000 1.340 41 I HN 0.479 nan 8.210 nan 0.000 0.455 42 G N 4.959 113.748 108.800 -0.018 0.000 3.284 42 G HA2 0.496 4.456 3.960 -0.000 0.000 0.251 42 G HA3 0.496 4.456 3.960 -0.000 0.000 0.251 42 G C 0.056 174.735 174.900 -0.368 0.000 0.913 42 G CA 0.014 45.084 45.100 -0.049 0.000 1.947 42 G HN 0.725 nan 8.290 nan 0.000 0.635 43 A N -0.401 122.234 122.820 -0.308 0.000 2.527 43 A HA 1.064 5.384 4.320 -0.000 0.000 0.293 43 A C 0.183 177.717 177.584 -0.083 0.000 1.117 43 A CA -0.167 51.532 52.037 -0.563 0.000 0.723 43 A CB 1.876 20.729 19.000 -0.245 0.000 1.313 43 A HN 1.603 nan 8.150 nan 0.000 0.411 44 G N -1.231 107.613 108.800 0.073 0.000 2.317 44 G HA2 0.513 4.473 3.960 -0.000 0.000 0.293 44 G HA3 0.513 4.473 3.960 -0.000 0.000 0.293 44 G C 0.679 175.735 174.900 0.259 0.000 1.287 44 G CA 0.776 46.016 45.100 0.233 0.000 0.850 44 G HN 1.811 nan 8.290 nan 0.000 0.515 45 S N -0.517 115.282 115.700 0.164 0.000 2.442 45 S HA -0.130 4.340 4.470 -0.000 0.000 0.236 45 S C 2.025 176.673 174.600 0.080 0.000 1.007 45 S CA 1.656 59.918 58.200 0.104 0.000 0.965 45 S CB -0.185 63.033 63.200 0.030 0.000 0.773 45 S HN 0.717 nan 8.310 nan 0.000 0.504 46 R N -0.148 120.388 120.500 0.060 0.000 2.148 46 R HA -0.047 4.293 4.340 -0.000 0.000 0.227 46 R C 1.271 177.504 176.300 -0.112 0.000 1.103 46 R CA 1.281 57.329 56.100 -0.087 0.000 0.983 46 R CB -0.316 29.848 30.300 -0.226 0.000 0.874 46 R HN 0.561 nan 8.270 nan 0.000 0.451 47 Y N 0.768 121.040 120.300 -0.046 0.000 2.546 47 Y HA 0.108 4.658 4.550 -0.000 0.000 0.287 47 Y C 0.549 176.451 175.900 0.003 0.000 1.158 47 Y CA 0.191 58.252 58.100 -0.064 0.000 1.307 47 Y CB 0.083 38.379 38.460 -0.273 0.000 1.036 47 Y HN 0.101 nan 8.280 nan 0.000 0.532 48 E N 0.933 121.243 120.200 0.184 0.000 2.405 48 E HA 0.095 4.445 4.350 -0.000 0.000 0.253 48 E C 0.086 176.757 176.600 0.119 0.000 1.257 48 E CA -0.435 56.080 56.400 0.191 0.000 0.960 48 E CB 0.388 30.184 29.700 0.161 0.000 1.077 48 E HN 0.231 nan 8.360 nan 0.000 0.512 49 N N -0.413 118.353 118.700 0.109 0.000 3.038 49 N HA 0.009 4.749 4.740 -0.000 0.000 0.307 49 N C 0.442 175.988 175.510 0.060 0.000 1.441 49 N CA -0.501 52.593 53.050 0.073 0.000 0.772 49 N CB 1.322 39.853 38.487 0.073 0.000 1.651 49 N HN 0.483 nan 8.380 nan 0.000 0.593 50 E N 0.090 120.318 120.200 0.046 0.000 2.265 50 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 50 E C 0.606 177.233 176.600 0.045 0.000 0.996 50 E CA 1.250 57.674 56.400 0.041 0.000 0.832 50 E CB 0.168 29.888 29.700 0.033 0.000 0.756 50 E HN 0.523 nan 8.360 nan 0.000 0.491 51 K N -0.008 120.421 120.400 0.049 0.000 2.348 51 K HA 0.009 4.329 4.320 -0.000 0.000 0.194 51 K C 1.283 177.916 176.600 0.056 0.000 1.052 51 K CA 0.639 56.956 56.287 0.050 0.000 1.004 51 K CB 0.294 32.818 32.500 0.040 0.000 0.873 51 K HN 0.043 nan 8.250 nan 0.000 0.523 52 N N 0.238 118.979 118.700 0.068 0.000 2.187 52 N HA -0.070 4.670 4.740 -0.000 0.000 0.212 52 N C -0.543 175.006 175.510 0.065 0.000 1.152 52 N CA -0.203 52.890 53.050 0.072 0.000 0.872 52 N CB -0.369 38.187 38.487 0.115 0.000 1.025 52 N HN 0.056 nan 8.380 nan 0.000 0.514 53 N N 0.584 119.321 118.700 0.062 0.000 2.365 53 N HA 0.127 4.867 4.740 -0.000 0.000 0.265 53 N C 0.693 176.226 175.510 0.039 0.000 1.288 53 N CA 1.296 54.374 53.050 0.048 0.000 0.869 53 N CB 0.002 38.512 38.487 0.038 0.000 1.071 53 N HN 0.464 nan 8.380 nan 0.000 0.480 54 G N 1.891 110.707 108.800 0.026 0.000 2.195 54 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.224 54 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.224 54 G C 0.797 175.742 174.900 0.074 0.000 0.990 54 G CA 0.403 45.540 45.100 0.061 0.000 0.639 54 G HN 0.837 nan 8.290 nan 0.000 0.514 55 A N 0.721 123.498 122.820 -0.072 0.000 1.845 55 A HA 0.329 4.649 4.320 -0.000 0.000 0.215 55 A C 2.870 180.153 177.584 -0.501 0.000 1.195 55 A CA 2.515 54.403 52.037 -0.249 0.000 0.616 55 A CB -1.253 17.547 19.000 -0.333 0.000 0.832 55 A HN 1.647 nan 8.150 nan 0.000 0.443 56 G N -2.137 106.094 108.800 -0.949 0.000 2.485 56 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.221 56 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.221 56 G C 1.514 176.373 174.900 -0.068 0.000 1.115 56 G CA 1.463 46.127 45.100 -0.727 0.000 0.751 56 G HN 0.574 nan 8.290 nan 0.000 0.567 57 Y N -0.211 120.025 120.300 -0.107 0.000 2.269 57 Y HA 0.219 4.769 4.550 -0.000 0.000 0.294 57 Y C 2.254 178.190 175.900 0.061 0.000 1.120 57 Y CA 0.423 58.526 58.100 0.006 0.000 1.159 57 Y CB -0.350 38.095 38.460 -0.025 0.000 1.024 57 Y HN 0.191 nan 8.280 nan 0.000 0.532 58 F N -0.983 118.900 119.950 -0.112 0.000 2.216 58 F HA -0.210 4.317 4.527 0.000 0.000 0.300 58 F C 2.117 177.833 175.800 -0.140 0.000 1.085 58 F CA 1.087 58.971 58.000 -0.193 0.000 1.326 58 F CB -0.029 38.880 39.000 -0.153 0.000 1.027 58 F HN -0.146 nan 8.300 nan 0.000 0.497 59 V N -0.217 119.766 119.914 0.114 0.000 2.667 59 V HA -0.245 3.875 4.120 -0.000 0.000 0.252 59 V C 2.167 178.308 176.094 0.078 0.000 1.065 59 V CA 1.887 64.230 62.300 0.071 0.000 1.083 59 V CB -0.380 31.473 31.823 0.049 0.000 0.692 59 V HN 0.350 nan 8.190 nan 0.000 0.468 60 E N -0.773 119.470 120.200 0.072 0.000 2.150 60 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 60 E C 2.033 178.550 176.600 -0.139 0.000 0.985 60 E CA 0.866 57.279 56.400 0.022 0.000 0.814 60 E CB -0.059 29.617 29.700 -0.041 0.000 0.752 60 E HN 0.713 nan 8.360 nan 0.000 0.466 61 H N -0.525 118.397 119.070 -0.247 0.000 2.495 61 H HA 0.005 4.561 4.556 -0.000 0.000 0.287 61 H C 1.911 177.159 175.328 -0.135 0.000 1.033 61 H CA 0.699 56.617 56.048 -0.217 0.000 1.307 61 H CB 0.519 30.105 29.762 -0.292 0.000 1.401 61 H HN 0.218 nan 8.280 nan 0.000 0.555 62 L N -0.685 120.524 121.223 -0.022 0.000 2.425 62 L HA 0.170 4.510 4.340 -0.000 0.000 0.215 62 L C 2.753 179.476 176.870 -0.246 0.000 1.065 62 L CA 0.400 55.197 54.840 -0.071 0.000 0.842 62 L CB -0.139 41.914 42.059 -0.010 0.000 1.033 62 L HN 0.078 nan 8.230 nan 0.000 0.474 63 A N 0.529 123.100 122.820 -0.415 0.000 2.104 63 A HA -0.234 4.086 4.320 -0.000 0.000 0.223 63 A C 1.878 178.957 177.584 -0.842 0.000 1.164 63 A CA 1.921 53.497 52.037 -0.769 0.000 0.659 63 A CB -0.760 17.495 19.000 -1.241 0.000 0.808 63 A HN 0.490 nan 8.150 nan 0.000 0.465 64 F N -1.551 118.181 119.950 -0.363 0.000 2.720 64 F HA 0.143 4.670 4.527 0.000 0.000 0.301 64 F C 1.045 176.715 175.800 -0.216 0.000 1.103 64 F CA -0.243 57.555 58.000 -0.337 0.000 1.291 64 F CB 0.519 39.364 39.000 -0.258 0.000 1.086 64 F HN -0.112 nan 8.300 nan 0.000 0.592 65 K N 1.627 121.999 120.400 -0.047 0.000 2.790 65 K HA 0.309 4.629 4.320 -0.000 0.000 0.229 65 K C 0.562 177.116 176.600 -0.077 0.000 1.040 65 K CA 0.219 56.499 56.287 -0.012 0.000 1.211 65 K CB -0.722 31.776 32.500 -0.003 0.000 1.002 65 K HN 0.293 nan 8.250 nan 0.000 0.479 66 G N 0.783 109.439 108.800 -0.240 0.000 2.719 66 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.686 66 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.686 66 G C -0.051 174.679 174.900 -0.283 0.000 1.201 66 G CA -0.357 44.587 45.100 -0.261 0.000 0.768 66 G HN 0.293 nan 8.290 nan 0.000 0.629 67 T N -1.374 113.035 114.554 -0.242 0.000 2.876 67 T HA 0.687 5.037 4.350 -0.000 0.000 0.277 67 T C 1.441 176.101 174.700 -0.066 0.000 0.997 67 T CA 0.226 62.230 62.100 -0.159 0.000 0.966 67 T CB 1.691 70.477 68.868 -0.137 0.000 1.312 67 T HN 0.626 nan 8.240 nan 0.000 0.598 68 K N -0.170 120.203 120.400 -0.045 0.000 2.116 68 K HA 0.067 4.387 4.320 -0.000 0.000 0.203 68 K C 2.363 178.963 176.600 -0.001 0.000 1.052 68 K CA 0.639 56.914 56.287 -0.020 0.000 0.952 68 K CB -0.110 32.380 32.500 -0.018 0.000 0.729 68 K HN 0.523 nan 8.250 nan 0.000 0.446 69 K N 1.405 121.809 120.400 0.007 0.000 2.097 69 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 69 K C 0.219 176.843 176.600 0.040 0.000 1.050 69 K CA 0.969 57.270 56.287 0.023 0.000 0.938 69 K CB 0.277 32.795 32.500 0.030 0.000 0.718 69 K HN 0.070 nan 8.250 nan 0.000 0.442 70 R N 0.689 121.224 120.500 0.059 0.000 2.569 70 R HA 0.326 4.666 4.340 -0.000 0.000 0.293 70 R C -2.995 173.365 176.300 0.100 0.000 1.186 70 R CA -1.835 54.319 56.100 0.091 0.000 0.956 70 R CB 1.351 31.735 30.300 0.140 0.000 1.196 70 R HN -0.129 nan 8.270 nan 0.000 0.444 71 P HA -0.139 nan 4.420 nan 0.000 0.271 71 P C 0.847 178.208 177.300 0.103 0.000 1.233 71 P CA -0.297 62.837 63.100 0.057 0.000 0.795 71 P CB 0.732 32.456 31.700 0.041 0.000 0.936 72 C N 1.726 121.072 119.300 0.078 0.000 2.323 72 C HA -0.290 4.170 4.460 -0.000 0.000 0.276 72 C C 3.005 178.082 174.990 0.146 0.000 1.151 72 C CA 3.108 62.193 59.018 0.112 0.000 1.789 72 C CB -1.905 25.875 27.740 0.067 0.000 1.921 72 C HN 0.715 nan 8.230 nan 0.000 0.417 73 A N 0.332 123.206 122.820 0.091 0.000 1.896 73 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 73 A C 2.473 180.103 177.584 0.076 0.000 1.206 73 A CA 3.673 55.753 52.037 0.071 0.000 0.647 73 A CB -1.499 17.528 19.000 0.045 0.000 0.828 73 A HN 1.218 nan 8.150 nan 0.000 0.455 74 A N -1.478 121.393 122.820 0.085 0.000 1.883 74 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 74 A C 2.087 179.727 177.584 0.093 0.000 1.186 74 A CA 1.881 53.964 52.037 0.076 0.000 0.624 74 A CB -0.807 18.241 19.000 0.081 0.000 0.822 74 A HN 0.756 nan 8.150 nan 0.000 0.444 75 F N 0.897 120.861 119.950 0.023 0.000 2.046 75 F HA -0.186 4.341 4.527 0.000 0.000 0.297 75 F C 2.345 178.171 175.800 0.043 0.000 1.123 75 F CA 2.329 60.353 58.000 0.040 0.000 1.199 75 F CB -0.535 38.501 39.000 0.060 0.000 0.972 75 F HN 0.388 nan 8.300 nan 0.000 0.474 76 E N 0.133 120.379 120.200 0.077 0.000 2.049 76 E HA -0.330 4.020 4.350 -0.000 0.000 0.198 76 E C 2.245 178.781 176.600 -0.106 0.000 1.007 76 E CA 1.753 58.136 56.400 -0.028 0.000 0.809 76 E CB -0.445 29.297 29.700 0.070 0.000 0.749 76 E HN 0.390 nan 8.360 nan 0.000 0.450 77 K N 1.088 121.457 120.400 -0.052 0.000 2.160 77 K HA -0.257 4.063 4.320 -0.000 0.000 0.206 77 K C 2.098 178.640 176.600 -0.096 0.000 1.047 77 K CA 1.673 57.926 56.287 -0.056 0.000 0.930 77 K CB -0.002 32.484 32.500 -0.024 0.000 0.720 77 K HN 0.098 nan 8.250 nan 0.000 0.450 78 E N -0.211 119.901 120.200 -0.147 0.000 2.152 78 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 78 E C 1.673 178.144 176.600 -0.215 0.000 0.983 78 E CA 0.866 57.165 56.400 -0.168 0.000 0.818 78 E CB 0.276 29.870 29.700 -0.177 0.000 0.758 78 E HN 0.149 nan 8.360 nan 0.000 0.467 79 V N 1.082 120.814 119.914 -0.302 0.000 2.302 79 V HA -0.169 3.951 4.120 -0.000 0.000 0.243 79 V C 2.095 178.094 176.094 -0.158 0.000 1.036 79 V CA 1.853 63.988 62.300 -0.274 0.000 1.020 79 V CB -0.571 31.049 31.823 -0.339 0.000 0.657 79 V HN 0.234 nan 8.190 nan 0.000 0.453 80 E N 1.287 121.414 120.200 -0.122 0.000 2.033 80 E HA -0.248 4.102 4.350 -0.000 0.000 0.199 80 E C 2.296 178.857 176.600 -0.064 0.000 1.011 80 E CA 2.050 58.410 56.400 -0.065 0.000 0.815 80 E CB -0.350 29.322 29.700 -0.047 0.000 0.755 80 E HN 0.716 nan 8.360 nan 0.000 0.451 81 S N 0.862 116.520 115.700 -0.071 0.000 2.488 81 S HA -0.190 4.280 4.470 -0.000 0.000 0.246 81 S C 1.892 176.451 174.600 -0.067 0.000 0.992 81 S CA 1.471 59.635 58.200 -0.061 0.000 0.963 81 S CB -0.513 62.653 63.200 -0.057 0.000 0.754 81 S HN 0.370 nan 8.310 nan 0.000 0.519 82 M N -1.350 118.198 119.600 -0.087 0.000 2.333 82 M HA 0.554 5.034 4.480 -0.000 0.000 0.257 82 M C 1.326 177.567 176.300 -0.098 0.000 1.078 82 M CA 0.348 55.594 55.300 -0.090 0.000 1.005 82 M CB 0.043 32.580 32.600 -0.105 0.000 1.444 82 M HN 0.291 nan 8.290 nan 0.000 0.496 83 G N 1.475 110.219 108.800 -0.095 0.000 2.148 83 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.254 83 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.254 83 G C 0.165 174.945 174.900 -0.199 0.000 0.981 83 G CA 0.208 45.237 45.100 -0.118 0.000 0.670 83 G HN 0.946 nan 8.290 nan 0.000 0.528 84 A N -0.189 122.534 122.820 -0.162 0.000 2.340 84 A HA 0.708 5.028 4.320 -0.000 0.000 0.268 84 A C 0.030 177.573 177.584 -0.068 0.000 1.100 84 A CA -0.249 51.682 52.037 -0.176 0.000 0.803 84 A CB 0.426 19.325 19.000 -0.168 0.000 1.043 84 A HN 0.588 nan 8.150 nan 0.000 0.488 85 H N 0.633 119.673 119.070 -0.049 0.000 2.504 85 H HA 0.405 4.961 4.556 -0.000 0.000 0.322 85 H C -1.504 173.819 175.328 -0.007 0.000 1.055 85 H CA -0.398 55.638 56.048 -0.021 0.000 1.231 85 H CB 1.336 31.110 29.762 0.021 0.000 1.417 85 H HN 0.535 nan 8.280 nan 0.000 0.472 86 F N 3.465 123.344 119.950 -0.119 0.000 2.402 86 F HA 0.337 4.864 4.527 -0.000 0.000 0.355 86 F C -0.474 175.020 175.800 -0.509 0.000 1.123 86 F CA -0.982 56.835 58.000 -0.305 0.000 1.021 86 F CB 0.828 39.583 39.000 -0.408 0.000 1.160 86 F HN 0.584 nan 8.300 nan 0.000 0.451 87 N N 2.155 120.808 118.700 -0.079 0.000 2.647 87 N HA 0.831 5.571 4.740 -0.000 0.000 0.266 87 N C -0.951 174.310 175.510 -0.415 0.000 1.373 87 N CA -0.211 52.623 53.050 -0.361 0.000 0.807 87 N CB 2.374 40.664 38.487 -0.328 0.000 1.513 87 N HN 0.817 nan 8.380 nan 0.000 0.505 88 G N -0.773 107.926 108.800 -0.169 0.000 2.451 88 G HA2 0.483 4.443 3.960 -0.000 0.000 0.292 88 G HA3 0.483 4.443 3.960 -0.000 0.000 0.292 88 G C -2.239 172.621 174.900 -0.066 0.000 1.427 88 G CA -0.353 44.609 45.100 -0.230 0.000 0.792 88 G HN 0.768 nan 8.290 nan 0.000 0.498 89 Y N -2.586 117.555 120.300 -0.264 0.000 2.764 89 Y HA 0.866 5.416 4.550 -0.000 0.000 0.331 89 Y C -0.739 175.053 175.900 -0.180 0.000 1.280 89 Y CA -0.925 57.100 58.100 -0.125 0.000 1.065 89 Y CB 1.550 40.021 38.460 0.018 0.000 1.319 89 Y HN 1.011 nan 8.280 nan 0.000 0.453 90 T N 1.199 115.925 114.554 0.286 0.000 3.071 90 T HA 0.597 4.947 4.350 -0.000 0.000 0.311 90 T C -0.795 174.082 174.700 0.295 0.000 1.042 90 T CA 0.158 62.380 62.100 0.203 0.000 1.028 90 T CB 0.730 69.688 68.868 0.149 0.000 1.068 90 T HN 1.376 nan 8.240 nan 0.000 0.451 91 S N 4.551 120.427 115.700 0.294 0.000 2.702 91 S HA 0.569 5.039 4.470 -0.000 0.000 0.272 91 S C 1.233 175.932 174.600 0.165 0.000 1.068 91 S CA -0.857 57.474 58.200 0.217 0.000 0.964 91 S CB 0.918 64.281 63.200 0.272 0.000 1.307 91 S HN 0.727 nan 8.310 nan 0.000 0.567 92 R N 0.279 120.870 120.500 0.151 0.000 2.127 92 R HA 0.255 4.595 4.340 -0.000 0.000 0.217 92 R C 1.182 177.568 176.300 0.143 0.000 1.074 92 R CA 1.028 57.172 56.100 0.074 0.000 0.991 92 R CB -0.079 30.180 30.300 -0.068 0.000 0.895 92 R HN 0.679 nan 8.270 nan 0.000 0.450 93 E N -0.443 119.902 120.200 0.242 0.000 2.676 93 E HA 0.088 4.438 4.350 -0.000 0.000 0.222 93 E C -0.531 176.270 176.600 0.335 0.000 0.968 93 E CA -0.076 56.535 56.400 0.352 0.000 1.090 93 E CB 1.149 31.055 29.700 0.343 0.000 1.066 93 E HN 0.078 nan 8.360 nan 0.000 0.496 94 Q N 0.341 120.311 119.800 0.284 0.000 2.353 94 Q HA 0.336 4.676 4.340 -0.000 0.000 0.275 94 Q C -1.548 174.554 176.000 0.170 0.000 1.029 94 Q CA -0.389 55.556 55.803 0.237 0.000 0.848 94 Q CB 2.373 31.306 28.738 0.326 0.000 1.390 94 Q HN -0.062 nan 8.270 nan 0.000 0.401 95 T N 1.058 115.598 114.554 -0.024 0.000 2.906 95 T HA 0.934 5.284 4.350 -0.000 0.000 0.295 95 T C -1.577 172.716 174.700 -0.677 0.000 1.061 95 T CA -0.388 61.520 62.100 -0.319 0.000 1.000 95 T CB 1.717 70.481 68.868 -0.174 0.000 1.103 95 T HN 0.710 nan 8.240 nan 0.000 0.486 96 A N 1.804 123.884 122.820 -1.234 0.000 2.589 96 A HA 0.825 5.145 4.320 -0.000 0.000 0.296 96 A C -2.044 174.770 177.584 -1.283 0.000 1.062 96 A CA -0.761 50.484 52.037 -1.319 0.000 0.686 96 A CB 1.104 19.085 19.000 -1.698 0.000 1.282 96 A HN 0.694 nan 8.150 nan 0.000 0.404 97 F N 1.720 121.357 119.950 -0.522 0.000 2.539 97 F HA 0.618 5.145 4.527 -0.000 0.000 0.328 97 F C -0.398 175.365 175.800 -0.061 0.000 1.148 97 F CA -0.328 57.557 58.000 -0.191 0.000 0.940 97 F CB 1.876 40.823 39.000 -0.088 0.000 1.194 97 F HN 0.679 nan 8.300 nan 0.000 0.438 98 Y N 1.194 121.625 120.300 0.219 0.000 2.581 98 Y HA 0.905 5.455 4.550 -0.000 0.000 0.345 98 Y C -1.529 174.500 175.900 0.214 0.000 1.036 98 Y CA -1.933 56.233 58.100 0.110 0.000 1.042 98 Y CB 1.511 39.954 38.460 -0.029 0.000 1.289 98 Y HN 0.391 nan 8.280 nan 0.000 0.471 99 I N 2.009 122.691 120.570 0.187 0.000 2.647 99 I HA 0.425 4.595 4.170 -0.000 0.000 0.295 99 I C -1.111 175.084 176.117 0.129 0.000 1.078 99 I CA -1.195 60.109 61.300 0.007 0.000 1.048 99 I CB 2.579 40.372 38.000 -0.346 0.000 1.239 99 I HN 0.596 nan 8.210 nan 0.000 0.421 100 K N 4.611 125.081 120.400 0.116 0.000 2.339 100 K HA 0.834 5.154 4.320 -0.000 0.000 0.264 100 K C -0.837 175.737 176.600 -0.044 0.000 0.986 100 K CA -0.324 56.017 56.287 0.090 0.000 0.866 100 K CB 2.245 34.845 32.500 0.168 0.000 1.103 100 K HN 0.723 nan 8.250 nan 0.000 0.441 101 A N 2.872 125.662 122.820 -0.051 0.000 2.529 101 A HA 0.582 4.902 4.320 -0.000 0.000 0.296 101 A C -1.395 176.152 177.584 -0.062 0.000 1.205 101 A CA -0.883 51.099 52.037 -0.092 0.000 0.671 101 A CB 0.625 19.564 19.000 -0.100 0.000 1.301 101 A HN 0.561 nan 8.150 nan 0.000 0.450 102 L N 0.843 122.027 121.223 -0.065 0.000 2.417 102 L HA 0.260 4.600 4.340 -0.000 0.000 0.268 102 L C 1.493 178.344 176.870 -0.031 0.000 1.158 102 L CA -0.359 54.455 54.840 -0.045 0.000 0.819 102 L CB 0.997 43.028 42.059 -0.047 0.000 1.112 102 L HN 0.802 nan 8.230 nan 0.000 0.458 103 S N 0.707 116.396 115.700 -0.018 0.000 2.402 103 S HA -0.215 4.255 4.470 -0.000 0.000 0.233 103 S C 1.822 176.414 174.600 -0.014 0.000 1.030 103 S CA 1.382 59.577 58.200 -0.009 0.000 1.003 103 S CB -0.244 62.955 63.200 -0.002 0.000 0.813 103 S HN 0.650 nan 8.310 nan 0.000 0.477 104 K N 1.143 121.532 120.400 -0.020 0.000 2.160 104 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 104 K C 0.359 176.942 176.600 -0.027 0.000 1.047 104 K CA 1.645 57.919 56.287 -0.021 0.000 0.930 104 K CB -0.102 32.383 32.500 -0.025 0.000 0.720 104 K HN 0.322 nan 8.250 nan 0.000 0.450 105 D N 0.572 120.949 120.400 -0.038 0.000 2.368 105 D HA -0.068 4.572 4.640 -0.000 0.000 0.218 105 D C 1.518 177.789 176.300 -0.049 0.000 1.112 105 D CA -0.040 53.930 54.000 -0.050 0.000 0.834 105 D CB 0.244 41.002 40.800 -0.069 0.000 0.953 105 D HN 0.269 nan 8.370 nan 0.000 0.505 106 M N 2.185 121.768 119.600 -0.030 0.000 2.103 106 M HA -0.147 4.333 4.480 -0.000 0.000 0.255 106 M C -1.189 175.096 176.300 -0.025 0.000 1.074 106 M CA 2.031 57.321 55.300 -0.017 0.000 1.090 106 M CB -1.193 31.410 32.600 0.004 0.000 1.325 106 M HN -0.046 nan 8.290 nan 0.000 0.403 107 P HA -0.136 nan 4.420 nan 0.000 0.217 107 P C 1.259 178.505 177.300 -0.091 0.000 1.154 107 P CA 1.594 64.676 63.100 -0.031 0.000 0.841 107 P CB -0.353 31.347 31.700 -0.000 0.000 0.788 108 K N 0.528 120.876 120.400 -0.087 0.000 2.147 108 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 108 K C 1.894 178.399 176.600 -0.159 0.000 1.049 108 K CA 1.144 57.359 56.287 -0.120 0.000 0.936 108 K CB -1.027 31.417 32.500 -0.093 0.000 0.722 108 K HN -0.120 nan 8.250 nan 0.000 0.446 109 V N -0.006 119.826 119.914 -0.137 0.000 2.244 109 V HA -0.238 3.882 4.120 -0.000 0.000 0.244 109 V C 2.229 178.230 176.094 -0.155 0.000 1.042 109 V CA 1.794 64.002 62.300 -0.154 0.000 1.006 109 V CB -0.516 31.238 31.823 -0.115 0.000 0.641 109 V HN 0.161 nan 8.190 nan 0.000 0.446 110 V N 0.196 120.038 119.914 -0.120 0.000 2.370 110 V HA -0.374 3.746 4.120 -0.000 0.000 0.252 110 V C 2.483 178.389 176.094 -0.314 0.000 1.068 110 V CA 2.538 64.773 62.300 -0.108 0.000 1.061 110 V CB -0.725 31.072 31.823 -0.042 0.000 0.656 110 V HN 0.705 nan 8.190 nan 0.000 0.455 111 E N -0.186 119.707 120.200 -0.513 0.000 2.072 111 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 111 E C 2.255 178.658 176.600 -0.328 0.000 0.985 111 E CA 1.180 57.120 56.400 -0.767 0.000 0.801 111 E CB -0.085 29.163 29.700 -0.752 0.000 0.750 111 E HN 0.595 nan 8.360 nan 0.000 0.452 112 L N 0.653 121.765 121.223 -0.186 0.000 2.046 112 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 112 L C 2.590 179.491 176.870 0.052 0.000 1.077 112 L CA 0.758 55.592 54.840 -0.010 0.000 0.747 112 L CB -0.381 41.643 42.059 -0.058 0.000 0.896 112 L HN 0.243 nan 8.230 nan 0.000 0.432 113 L N -0.334 120.877 121.223 -0.020 0.000 1.943 113 L HA -0.264 4.076 4.340 -0.000 0.000 0.215 113 L C 2.912 179.827 176.870 0.075 0.000 1.074 113 L CA 1.505 56.399 54.840 0.090 0.000 0.759 113 L CB -0.864 41.276 42.059 0.136 0.000 0.888 113 L HN 0.254 nan 8.230 nan 0.000 0.433 114 A N -0.230 122.541 122.820 -0.080 0.000 1.958 114 A HA -0.360 3.960 4.320 -0.000 0.000 0.221 114 A C 1.927 179.449 177.584 -0.104 0.000 1.178 114 A CA 2.494 54.360 52.037 -0.285 0.000 0.642 114 A CB -0.900 17.457 19.000 -1.071 0.000 0.816 114 A HN 0.561 nan 8.150 nan 0.000 0.453 115 D N -0.914 119.434 120.400 -0.087 0.000 2.144 115 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 115 D C 1.784 178.056 176.300 -0.047 0.000 0.984 115 D CA 1.396 55.375 54.000 -0.035 0.000 0.834 115 D CB -0.033 40.775 40.800 0.014 0.000 0.955 115 D HN 0.196 nan 8.370 nan 0.000 0.465 116 V N 0.314 120.204 119.914 -0.040 0.000 2.270 116 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 116 V C 2.708 178.678 176.094 -0.207 0.000 1.043 116 V CA 1.684 63.885 62.300 -0.165 0.000 1.014 116 V CB -0.677 31.078 31.823 -0.113 0.000 0.645 116 V HN 0.332 nan 8.190 nan 0.000 0.447 117 V N -1.520 118.311 119.914 -0.138 0.000 2.515 117 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 117 V C 2.004 178.163 176.094 0.107 0.000 1.058 117 V CA 1.900 64.151 62.300 -0.083 0.000 1.064 117 V CB -0.752 31.024 31.823 -0.077 0.000 0.675 117 V HN 0.573 nan 8.190 nan 0.000 0.461 118 Q N 0.397 120.247 119.800 0.083 0.000 2.297 118 Q HA 0.166 4.506 4.340 -0.000 0.000 0.203 118 Q C 0.920 176.942 176.000 0.037 0.000 0.931 118 Q CA 0.971 56.828 55.803 0.090 0.000 0.885 118 Q CB 0.125 28.917 28.738 0.090 0.000 0.991 118 Q HN 0.653 nan 8.270 nan 0.000 0.498 119 N N 0.111 118.807 118.700 -0.007 0.000 2.416 119 N HA 0.089 4.829 4.740 -0.000 0.000 0.267 119 N C -0.757 174.713 175.510 -0.066 0.000 1.294 119 N CA -0.082 52.951 53.050 -0.028 0.000 0.891 119 N CB 0.747 39.218 38.487 -0.026 0.000 1.238 119 N HN 0.122 nan 8.380 nan 0.000 0.508 120 C N 1.419 120.670 119.300 -0.082 0.000 2.437 120 C HA 0.083 4.543 4.460 -0.000 0.000 0.399 120 C C 2.187 177.121 174.990 -0.092 0.000 1.478 120 C CA -0.010 58.933 59.018 -0.125 0.000 1.538 120 C CB -0.668 27.003 27.740 -0.114 0.000 2.506 120 C HN 0.613 nan 8.230 nan 0.000 0.603 121 A N 5.359 128.117 122.820 -0.103 0.000 1.933 121 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 121 A C 1.558 179.107 177.584 -0.057 0.000 1.175 121 A CA 1.528 53.523 52.037 -0.069 0.000 0.628 121 A CB -0.578 18.383 19.000 -0.065 0.000 0.814 121 A HN 1.376 nan 8.150 nan 0.000 0.444 122 L N -1.024 120.160 121.223 -0.064 0.000 3.678 122 L HA -0.189 4.151 4.340 -0.000 0.000 0.425 122 L C 0.017 176.861 176.870 -0.042 0.000 1.240 122 L CA 0.105 54.911 54.840 -0.055 0.000 0.876 122 L CB -1.907 40.114 42.059 -0.063 0.000 1.766 122 L HN 0.559 nan 8.230 nan 0.000 0.917 123 E N 0.732 120.913 120.200 -0.031 0.000 2.493 123 E HA -0.048 4.302 4.350 -0.000 0.000 0.255 123 E C 1.092 177.685 176.600 -0.012 0.000 0.999 123 E CA 0.431 56.820 56.400 -0.018 0.000 0.934 123 E CB 0.972 30.666 29.700 -0.009 0.000 0.940 123 E HN 0.262 nan 8.360 nan 0.000 0.473 124 E N 2.498 122.689 120.200 -0.015 0.000 2.130 124 E HA -0.229 4.121 4.350 -0.000 0.000 0.196 124 E C 1.496 178.097 176.600 0.003 0.000 0.998 124 E CA 1.874 58.266 56.400 -0.013 0.000 0.806 124 E CB -0.059 29.633 29.700 -0.015 0.000 0.738 124 E HN 0.587 nan 8.360 nan 0.000 0.459 125 S N -0.751 114.953 115.700 0.007 0.000 2.406 125 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 125 S C 2.053 176.669 174.600 0.026 0.000 1.020 125 S CA 0.937 59.146 58.200 0.015 0.000 0.965 125 S CB -0.251 62.956 63.200 0.012 0.000 0.798 125 S HN 0.194 nan 8.310 nan 0.000 0.488 126 Q N 1.667 121.483 119.800 0.027 0.000 2.046 126 Q HA 0.114 4.454 4.340 -0.000 0.000 0.200 126 Q C 1.951 177.998 176.000 0.079 0.000 0.975 126 Q CA 1.741 57.569 55.803 0.042 0.000 0.836 126 Q CB -0.707 28.050 28.738 0.032 0.000 0.896 126 Q HN 0.679 nan 8.270 nan 0.000 0.428 127 I N 0.860 121.482 120.570 0.087 0.000 2.248 127 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 127 I C 1.803 178.038 176.117 0.197 0.000 1.107 127 I CA 1.271 62.673 61.300 0.170 0.000 1.373 127 I CB -0.312 37.703 38.000 0.024 0.000 1.055 127 I HN 0.249 nan 8.210 nan 0.000 0.418 128 E N 0.510 120.771 120.200 0.102 0.000 2.274 128 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 128 E C 1.943 178.581 176.600 0.063 0.000 0.996 128 E CA 0.785 57.235 56.400 0.083 0.000 0.840 128 E CB -0.116 29.613 29.700 0.048 0.000 0.772 128 E HN 0.490 nan 8.360 nan 0.000 0.491 129 K N 0.664 121.098 120.400 0.056 0.000 2.128 129 K HA -0.052 4.268 4.320 -0.000 0.000 0.202 129 K C 1.531 178.135 176.600 0.007 0.000 1.050 129 K CA 0.546 56.851 56.287 0.029 0.000 0.966 129 K CB 0.335 32.852 32.500 0.029 0.000 0.759 129 K HN -0.153 nan 8.250 nan 0.000 0.454 130 E N 0.816 121.025 120.200 0.016 0.000 2.338 130 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 130 E C 1.809 178.224 176.600 -0.309 0.000 1.007 130 E CA 0.658 57.006 56.400 -0.088 0.000 0.849 130 E CB -0.030 29.645 29.700 -0.041 0.000 0.774 130 E HN 0.315 nan 8.360 nan 0.000 0.506 131 R N 0.474 120.889 120.500 -0.142 0.000 2.075 131 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 131 R C 2.269 178.481 176.300 -0.146 0.000 1.126 131 R CA 1.606 57.618 56.100 -0.145 0.000 0.963 131 R CB -0.447 29.917 30.300 0.106 0.000 0.858 131 R HN 0.167 nan 8.270 nan 0.000 0.435 132 G N -0.090 108.662 108.800 -0.079 0.000 2.403 132 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.216 132 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.216 132 G C 1.368 176.225 174.900 -0.072 0.000 1.154 132 G CA 0.596 45.660 45.100 -0.060 0.000 0.784 132 G HN 0.201 nan 8.290 nan 0.000 0.538 133 V N 1.298 121.163 119.914 -0.081 0.000 2.261 133 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 133 V C 2.794 178.842 176.094 -0.077 0.000 1.047 133 V CA 1.538 63.810 62.300 -0.047 0.000 1.015 133 V CB -0.380 31.448 31.823 0.008 0.000 0.642 133 V HN 0.384 nan 8.190 nan 0.000 0.446 134 I N -0.444 119.978 120.570 -0.247 0.000 2.208 134 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 134 I C 2.338 178.377 176.117 -0.130 0.000 1.097 134 I CA 1.620 62.748 61.300 -0.288 0.000 1.363 134 I CB -0.378 37.256 38.000 -0.609 0.000 1.051 134 I HN 0.271 nan 8.210 nan 0.000 0.413 135 L N 0.093 121.235 121.223 -0.135 0.000 2.187 135 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 135 L C 2.693 179.534 176.870 -0.048 0.000 1.100 135 L CA 1.096 55.887 54.840 -0.082 0.000 0.765 135 L CB -0.466 41.548 42.059 -0.075 0.000 0.904 135 L HN 0.386 nan 8.230 nan 0.000 0.437 136 Q N -0.188 119.591 119.800 -0.036 0.000 2.123 136 Q HA -0.125 4.215 4.340 -0.000 0.000 0.196 136 Q C 1.977 177.975 176.000 -0.003 0.000 0.958 136 Q CA 1.002 56.795 55.803 -0.016 0.000 0.841 136 Q CB -0.072 28.660 28.738 -0.009 0.000 0.915 136 Q HN 0.573 nan 8.270 nan 0.000 0.455 137 E N 0.736 120.946 120.200 0.018 0.000 2.267 137 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 137 E C 2.071 178.681 176.600 0.017 0.000 0.998 137 E CA 0.525 56.953 56.400 0.048 0.000 0.830 137 E CB -0.049 29.732 29.700 0.135 0.000 0.751 137 E HN 0.285 nan 8.360 nan 0.000 0.491 138 L N 0.623 121.841 121.223 -0.009 0.000 2.072 138 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 138 L C 2.320 179.166 176.870 -0.038 0.000 1.079 138 L CA 1.196 56.012 54.840 -0.039 0.000 0.752 138 L CB -0.259 41.770 42.059 -0.050 0.000 0.906 138 L HN 0.036 nan 8.230 nan 0.000 0.436 139 K N 0.029 120.412 120.400 -0.028 0.000 2.148 139 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 139 K C 1.943 178.529 176.600 -0.023 0.000 1.050 139 K CA 1.204 57.477 56.287 -0.024 0.000 0.942 139 K CB 0.008 32.497 32.500 -0.018 0.000 0.724 139 K HN 0.369 nan 8.250 nan 0.000 0.446 140 E N 0.652 120.842 120.200 -0.016 0.000 2.028 140 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 140 E C 1.930 178.515 176.600 -0.025 0.000 0.988 140 E CA 1.218 57.611 56.400 -0.013 0.000 0.799 140 E CB -0.076 29.623 29.700 -0.001 0.000 0.755 140 E HN 0.254 nan 8.360 nan 0.000 0.447 141 M N 0.923 120.504 119.600 -0.032 0.000 2.446 141 M HA -0.134 4.346 4.480 -0.000 0.000 0.263 141 M C 1.393 177.648 176.300 -0.076 0.000 1.066 141 M CA 0.857 56.124 55.300 -0.054 0.000 1.087 141 M CB -0.064 32.496 32.600 -0.068 0.000 1.406 141 M HN -0.027 nan 8.290 nan 0.000 0.459 142 D N 0.684 121.044 120.400 -0.067 0.000 2.269 142 D HA -0.076 4.564 4.640 -0.000 0.000 0.208 142 D C 1.122 177.381 176.300 -0.069 0.000 0.963 142 D CA 0.858 54.812 54.000 -0.077 0.000 0.864 142 D CB 0.070 40.838 40.800 -0.054 0.000 0.936 142 D HN 0.214 nan 8.370 nan 0.000 0.505 143 N N 0.442 119.111 118.700 -0.052 0.000 2.276 143 N HA -0.022 4.718 4.740 -0.000 0.000 0.212 143 N C -0.527 174.952 175.510 -0.051 0.000 1.127 143 N CA 0.138 53.162 53.050 -0.043 0.000 0.834 143 N CB 0.537 39.010 38.487 -0.023 0.000 1.014 143 N HN 0.122 nan 8.380 nan 0.000 0.491 144 D N 1.268 121.624 120.400 -0.073 0.000 2.505 144 D HA 0.131 4.771 4.640 -0.000 0.000 0.242 144 D C 1.424 177.643 176.300 -0.137 0.000 1.136 144 D CA -0.390 53.565 54.000 -0.075 0.000 0.954 144 D CB 0.394 41.158 40.800 -0.059 0.000 1.002 144 D HN -0.224 nan 8.370 nan 0.000 0.512 145 M N 0.920 120.392 119.600 -0.213 0.000 2.153 145 M HA -0.190 4.290 4.480 -0.000 0.000 0.253 145 M C 1.693 177.726 176.300 -0.445 0.000 1.081 145 M CA 1.451 56.480 55.300 -0.453 0.000 1.076 145 M CB -1.574 30.500 32.600 -0.876 0.000 1.350 145 M HN 0.260 nan 8.290 nan 0.000 0.401 146 T N 0.832 115.259 114.554 -0.211 0.000 2.746 146 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 146 T C 1.733 176.459 174.700 0.043 0.000 1.039 146 T CA 1.434 63.571 62.100 0.062 0.000 1.142 146 T CB -0.228 68.744 68.868 0.173 0.000 0.866 146 T HN 0.364 nan 8.240 nan 0.000 0.444 147 N N 0.685 119.355 118.700 -0.050 0.000 2.333 147 N HA 0.029 4.769 4.740 -0.000 0.000 0.178 147 N C 1.965 177.414 175.510 -0.102 0.000 1.018 147 N CA 0.470 53.479 53.050 -0.068 0.000 0.882 147 N CB -0.326 38.092 38.487 -0.115 0.000 0.984 147 N HN 0.196 nan 8.380 nan 0.000 0.434 148 V N 1.222 121.028 119.914 -0.181 0.000 2.407 148 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 148 V C 2.174 178.054 176.094 -0.357 0.000 1.055 148 V CA 1.686 63.779 62.300 -0.346 0.000 1.049 148 V CB -0.821 30.805 31.823 -0.328 0.000 0.662 148 V HN 0.326 nan 8.190 nan 0.000 0.455 149 T N -0.173 114.310 114.554 -0.118 0.000 2.737 149 T HA -0.104 4.246 4.350 -0.000 0.000 0.265 149 T C 1.657 176.358 174.700 0.002 0.000 1.038 149 T CA 1.520 63.620 62.100 -0.001 0.000 1.144 149 T CB -0.363 68.528 68.868 0.039 0.000 0.866 149 T HN 0.361 nan 8.240 nan 0.000 0.434 150 F N 1.764 121.660 119.950 -0.091 0.000 2.269 150 F HA -0.042 4.485 4.527 -0.000 0.000 0.301 150 F C 2.237 178.104 175.800 0.111 0.000 1.082 150 F CA 0.677 58.670 58.000 -0.011 0.000 1.360 150 F CB -0.395 38.540 39.000 -0.109 0.000 1.041 150 F HN 0.096 nan 8.300 nan 0.000 0.512 151 D N -0.903 119.577 120.400 0.134 0.000 2.084 151 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 151 D C 2.309 178.728 176.300 0.199 0.000 0.985 151 D CA 1.399 55.437 54.000 0.064 0.000 0.826 151 D CB -0.717 40.006 40.800 -0.129 0.000 0.978 151 D HN 0.326 nan 8.370 nan 0.000 0.456 152 Y N 0.267 120.608 120.300 0.069 0.000 2.207 152 Y HA -0.205 4.345 4.550 -0.000 0.000 0.287 152 Y C 2.388 178.310 175.900 0.037 0.000 1.156 152 Y CA -0.115 58.007 58.100 0.036 0.000 1.182 152 Y CB -0.049 38.411 38.460 0.000 0.000 0.979 152 Y HN -0.019 nan 8.280 nan 0.000 0.521 153 L N -0.133 121.210 121.223 0.201 0.000 2.042 153 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 153 L C 1.918 178.837 176.870 0.083 0.000 1.076 153 L CA 2.004 56.885 54.840 0.068 0.000 0.749 153 L CB -0.697 41.332 42.059 -0.050 0.000 0.893 153 L HN 0.143 nan 8.230 nan 0.000 0.432 154 H N -0.685 118.483 119.070 0.164 0.000 2.363 154 H HA 0.081 4.637 4.556 -0.000 0.000 0.301 154 H C 2.217 177.671 175.328 0.211 0.000 1.074 154 H CA 1.388 57.605 56.048 0.281 0.000 1.354 154 H CB -0.494 29.452 29.762 0.306 0.000 1.397 154 H HN 0.469 nan 8.280 nan 0.000 0.516 155 A N -0.649 122.343 122.820 0.288 0.000 1.997 155 A HA -0.253 4.067 4.320 -0.000 0.000 0.221 155 A C 2.396 180.033 177.584 0.088 0.000 1.172 155 A CA 2.493 54.644 52.037 0.189 0.000 0.645 155 A CB -0.842 18.284 19.000 0.210 0.000 0.813 155 A HN 0.489 nan 8.150 nan 0.000 0.454 156 T N -2.219 112.349 114.554 0.023 0.000 3.042 156 T HA 0.357 4.707 4.350 -0.000 0.000 0.245 156 T C 1.987 176.550 174.700 -0.230 0.000 1.029 156 T CA 1.125 63.170 62.100 -0.092 0.000 1.120 156 T CB -0.316 68.485 68.868 -0.111 0.000 0.917 156 T HN 0.501 nan 8.240 nan 0.000 0.467 157 A N 0.217 122.851 122.820 -0.310 0.000 1.978 157 A HA 0.125 4.445 4.320 -0.000 0.000 0.220 157 A C 1.229 178.307 177.584 -0.842 0.000 1.170 157 A CA 1.215 52.811 52.037 -0.734 0.000 0.636 157 A CB -0.635 17.953 19.000 -0.687 0.000 0.810 157 A HN 0.617 nan 8.150 nan 0.000 0.448 158 F N 0.314 120.203 119.950 -0.102 0.000 2.805 158 F HA 0.174 4.701 4.527 -0.000 0.000 0.317 158 F C 0.626 176.410 175.800 -0.027 0.000 1.146 158 F CA -0.720 57.264 58.000 -0.028 0.000 1.265 158 F CB 0.109 39.144 39.000 0.059 0.000 0.992 158 F HN 0.313 nan 8.300 nan 0.000 0.511 159 Q N 0.212 120.039 119.800 0.046 0.000 2.326 159 Q HA 0.196 4.536 4.340 -0.000 0.000 0.314 159 Q C 1.145 177.171 176.000 0.042 0.000 1.091 159 Q CA 0.806 56.626 55.803 0.028 0.000 0.974 159 Q CB 0.305 29.017 28.738 -0.042 0.000 1.220 159 Q HN 0.524 nan 8.270 nan 0.000 0.398 160 G N 1.359 110.183 108.800 0.041 0.000 2.153 160 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.252 160 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.252 160 G C 0.152 175.080 174.900 0.046 0.000 0.994 160 G CA 0.596 45.716 45.100 0.034 0.000 0.698 160 G HN 1.286 nan 8.290 nan 0.000 0.521 161 T N -5.103 109.490 114.554 0.065 0.000 2.716 161 T HA 0.847 5.197 4.350 -0.000 0.000 0.286 161 T C 1.461 176.172 174.700 0.018 0.000 1.052 161 T CA 0.618 62.745 62.100 0.045 0.000 1.024 161 T CB 1.272 70.179 68.868 0.065 0.000 1.349 161 T HN 1.346 nan 8.240 nan 0.000 0.525 162 A N 0.043 122.844 122.820 -0.032 0.000 1.873 162 A HA 0.213 4.533 4.320 -0.000 0.000 0.215 162 A C 2.293 179.829 177.584 -0.081 0.000 1.186 162 A CA 1.100 53.101 52.037 -0.059 0.000 0.616 162 A CB -1.288 17.648 19.000 -0.107 0.000 0.823 162 A HN 0.767 nan 8.150 nan 0.000 0.442 163 L N -0.455 120.668 121.223 -0.166 0.000 2.450 163 L HA -0.160 4.180 4.340 -0.000 0.000 0.224 163 L C 2.634 179.540 176.870 0.060 0.000 1.149 163 L CA 0.553 55.259 54.840 -0.223 0.000 0.816 163 L CB -0.291 41.335 42.059 -0.721 0.000 0.932 163 L HN 0.471 nan 8.230 nan 0.000 0.449 164 A N -0.388 122.504 122.820 0.120 0.000 2.206 164 A HA 0.007 4.327 4.320 -0.000 0.000 0.211 164 A C 1.098 178.758 177.584 0.127 0.000 1.158 164 A CA 0.220 52.373 52.037 0.192 0.000 0.761 164 A CB -0.174 18.916 19.000 0.151 0.000 0.801 164 A HN 0.268 nan 8.150 nan 0.000 0.473 165 R N 0.626 121.164 120.500 0.062 0.000 2.457 165 R HA 0.395 4.735 4.340 -0.000 0.000 0.284 165 R C 0.192 176.488 176.300 -0.008 0.000 1.024 165 R CA 0.168 56.285 56.100 0.029 0.000 1.025 165 R CB 0.719 31.027 30.300 0.013 0.000 1.063 165 R HN 0.383 nan 8.270 nan 0.000 0.493 166 T N -2.066 112.470 114.554 -0.031 0.000 2.828 166 T HA 0.082 4.432 4.350 -0.000 0.000 0.290 166 T C 1.406 176.041 174.700 -0.108 0.000 1.019 166 T CA -0.872 61.175 62.100 -0.088 0.000 1.031 166 T CB 0.981 69.784 68.868 -0.109 0.000 1.001 166 T HN 0.222 nan 8.240 nan 0.000 0.531 167 V N 1.393 121.213 119.914 -0.157 0.000 2.591 167 V HA -0.031 4.089 4.120 -0.000 0.000 0.249 167 V C 2.467 178.398 176.094 -0.273 0.000 1.053 167 V CA 1.534 63.741 62.300 -0.155 0.000 1.068 167 V CB -0.916 30.824 31.823 -0.138 0.000 0.689 167 V HN 0.847 nan 8.190 nan 0.000 0.462 168 E N 0.348 120.275 120.200 -0.455 0.000 2.358 168 E HA 0.292 4.642 4.350 -0.000 0.000 0.195 168 E C 1.186 177.666 176.600 -0.199 0.000 1.010 168 E CA 0.728 56.754 56.400 -0.624 0.000 0.856 168 E CB -0.228 29.078 29.700 -0.657 0.000 0.795 168 E HN 0.611 nan 8.360 nan 0.000 0.504 169 G N -0.465 108.260 108.800 -0.125 0.000 2.728 169 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.294 169 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.294 169 G C -0.089 174.788 174.900 -0.039 0.000 1.342 169 G CA -0.449 44.625 45.100 -0.043 0.000 0.866 169 G HN 0.104 nan 8.290 nan 0.000 0.534 170 T N -0.168 114.380 114.554 -0.009 0.000 2.927 170 T HA 0.567 4.917 4.350 -0.000 0.000 0.281 170 T C 1.849 176.539 174.700 -0.016 0.000 0.998 170 T CA 0.410 62.505 62.100 -0.008 0.000 1.019 170 T CB 1.430 70.305 68.868 0.012 0.000 1.061 170 T HN 0.772 nan 8.240 nan 0.000 0.518 171 T N 1.487 116.027 114.554 -0.023 0.000 2.788 171 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 171 T C 1.917 176.579 174.700 -0.064 0.000 1.044 171 T CA 1.133 63.208 62.100 -0.042 0.000 1.139 171 T CB -0.086 68.762 68.868 -0.035 0.000 0.867 171 T HN 0.488 nan 8.240 nan 0.000 0.454 172 E N 1.441 121.622 120.200 -0.032 0.000 2.015 172 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 172 E C 2.284 178.871 176.600 -0.022 0.000 0.991 172 E CA 0.953 57.334 56.400 -0.030 0.000 0.802 172 E CB -0.673 29.076 29.700 0.081 0.000 0.759 172 E HN 0.364 nan 8.360 nan 0.000 0.447 173 N N 0.867 119.591 118.700 0.039 0.000 2.091 173 N HA -0.160 4.580 4.740 -0.000 0.000 0.193 173 N C 1.921 177.474 175.510 0.072 0.000 1.021 173 N CA 1.006 54.096 53.050 0.066 0.000 0.862 173 N CB -0.302 38.221 38.487 0.061 0.000 1.018 173 N HN 0.180 nan 8.380 nan 0.000 0.429 174 I N 0.209 120.808 120.570 0.049 0.000 2.500 174 I HA -0.149 4.021 4.170 -0.000 0.000 0.252 174 I C 1.655 177.812 176.117 0.067 0.000 1.142 174 I CA 0.873 62.241 61.300 0.114 0.000 1.451 174 I CB 0.006 38.007 38.000 0.002 0.000 1.093 174 I HN 0.088 nan 8.210 nan 0.000 0.430 175 K N -0.406 119.909 120.400 -0.142 0.000 2.366 175 K HA -0.051 4.269 4.320 -0.000 0.000 0.198 175 K C 1.284 177.673 176.600 -0.351 0.000 1.044 175 K CA 0.777 56.882 56.287 -0.304 0.000 0.973 175 K CB 0.132 32.313 32.500 -0.531 0.000 0.767 175 K HN 0.396 nan 8.250 nan 0.000 0.475 176 H N -0.832 118.271 119.070 0.055 0.000 3.241 176 H HA 0.188 4.744 4.556 0.000 0.000 0.260 176 H C 0.315 175.633 175.328 -0.016 0.000 1.084 176 H CA -0.336 55.723 56.048 0.019 0.000 1.203 176 H CB 0.266 30.035 29.762 0.011 0.000 1.524 176 H HN -0.016 nan 8.280 nan 0.000 0.521 177 L N 2.046 123.305 121.223 0.061 0.000 2.554 177 L HA -0.037 4.303 4.340 -0.000 0.000 0.293 177 L C 0.484 177.252 176.870 -0.170 0.000 1.252 177 L CA 0.940 55.732 54.840 -0.080 0.000 0.862 177 L CB 0.374 42.321 42.059 -0.187 0.000 1.113 177 L HN 0.069 nan 8.230 nan 0.000 0.510 178 T N 2.462 116.916 114.554 -0.166 0.000 2.932 178 T HA 0.221 4.571 4.350 -0.000 0.000 0.289 178 T C 0.962 175.546 174.700 -0.194 0.000 1.039 178 T CA -0.734 61.274 62.100 -0.153 0.000 1.024 178 T CB 2.047 70.868 68.868 -0.078 0.000 1.090 178 T HN 0.536 nan 8.240 nan 0.000 0.496 179 R N 1.043 121.449 120.500 -0.157 0.000 2.133 179 R HA -0.181 4.159 4.340 -0.000 0.000 0.247 179 R C 2.084 178.316 176.300 -0.113 0.000 1.151 179 R CA 2.019 58.035 56.100 -0.139 0.000 0.971 179 R CB -0.877 29.369 30.300 -0.090 0.000 0.866 179 R HN 0.734 nan 8.270 nan 0.000 0.447 180 A N 1.117 123.883 122.820 -0.089 0.000 1.841 180 A HA -0.189 4.131 4.320 -0.000 0.000 0.214 180 A C 1.724 179.269 177.584 -0.064 0.000 1.195 180 A CA 1.937 53.935 52.037 -0.066 0.000 0.611 180 A CB -0.707 18.263 19.000 -0.050 0.000 0.835 180 A HN 0.405 nan 8.150 nan 0.000 0.443 181 D N 0.379 120.736 120.400 -0.071 0.000 2.149 181 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 181 D C 1.810 178.087 176.300 -0.040 0.000 1.001 181 D CA 1.524 55.496 54.000 -0.048 0.000 0.849 181 D CB -0.368 40.393 40.800 -0.066 0.000 0.939 181 D HN 0.467 nan 8.370 nan 0.000 0.449 182 L N 0.379 121.532 121.223 -0.117 0.000 2.027 182 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 182 L C 2.570 179.413 176.870 -0.045 0.000 1.074 182 L CA 1.122 55.894 54.840 -0.114 0.000 0.745 182 L CB -0.627 41.302 42.059 -0.217 0.000 0.898 182 L HN 0.050 nan 8.230 nan 0.000 0.433 183 A N -0.411 122.370 122.820 -0.064 0.000 1.865 183 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 183 A C 2.569 180.123 177.584 -0.051 0.000 1.191 183 A CA 2.277 54.281 52.037 -0.055 0.000 0.623 183 A CB -0.913 18.054 19.000 -0.055 0.000 0.826 183 A HN 0.382 nan 8.150 nan 0.000 0.444 184 S N -1.836 113.841 115.700 -0.039 0.000 2.359 184 S HA -0.264 4.206 4.470 -0.000 0.000 0.223 184 S C 1.891 176.453 174.600 -0.064 0.000 1.039 184 S CA 1.932 60.104 58.200 -0.048 0.000 1.042 184 S CB -0.658 62.527 63.200 -0.025 0.000 0.915 184 S HN 0.657 nan 8.310 nan 0.000 0.439 185 Y N 1.946 122.177 120.300 -0.116 0.000 2.069 185 Y HA -0.206 4.344 4.550 -0.000 0.000 0.278 185 Y C 1.967 177.727 175.900 -0.234 0.000 1.175 185 Y CA 2.257 60.310 58.100 -0.079 0.000 1.134 185 Y CB -0.502 37.922 38.460 -0.061 0.000 0.965 185 Y HN 0.351 nan 8.280 nan 0.000 0.498 186 I N -0.025 120.437 120.570 -0.179 0.000 2.179 186 I HA -0.330 3.840 4.170 -0.000 0.000 0.242 186 I C 2.012 177.936 176.117 -0.322 0.000 1.088 186 I CA 1.743 62.762 61.300 -0.469 0.000 1.357 186 I CB -0.589 37.279 38.000 -0.219 0.000 1.051 186 I HN 0.246 nan 8.210 nan 0.000 0.409 187 D N 0.495 120.782 120.400 -0.189 0.000 2.178 187 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 187 D C 2.189 178.370 176.300 -0.198 0.000 0.980 187 D CA 1.603 55.522 54.000 -0.134 0.000 0.842 187 D CB -0.127 40.617 40.800 -0.092 0.000 0.948 187 D HN 0.369 nan 8.370 nan 0.000 0.472 188 T N -0.218 114.136 114.554 -0.334 0.000 2.896 188 T HA -0.055 4.295 4.350 -0.000 0.000 0.263 188 T C 1.583 175.897 174.700 -0.645 0.000 1.050 188 T CA 0.817 62.615 62.100 -0.503 0.000 1.140 188 T CB 0.110 68.558 68.868 -0.700 0.000 0.877 188 T HN 0.288 nan 8.240 nan 0.000 0.457 189 H N -0.567 118.269 119.070 -0.390 0.000 2.506 189 H HA 0.278 4.834 4.556 -0.000 0.000 0.289 189 H C 0.327 175.626 175.328 -0.048 0.000 1.009 189 H CA -0.092 55.748 56.048 -0.346 0.000 1.303 189 H CB -0.080 29.278 29.762 -0.673 0.000 1.453 189 H HN 0.358 nan 8.280 nan 0.000 0.526 190 F N 3.006 122.928 119.950 -0.047 0.000 2.600 190 F HA 0.193 4.720 4.527 -0.000 0.000 0.345 190 F C 0.257 176.044 175.800 -0.023 0.000 1.271 190 F CA -0.102 57.890 58.000 -0.013 0.000 1.138 190 F CB -0.032 38.984 39.000 0.027 0.000 1.449 190 F HN -0.243 nan 8.300 nan 0.000 0.645 191 K N 1.318 121.801 120.400 0.139 0.000 2.482 191 K HA 0.453 4.773 4.320 -0.000 0.000 0.251 191 K C 0.525 177.135 176.600 0.016 0.000 0.936 191 K CA -0.598 55.724 56.287 0.058 0.000 0.791 191 K CB 2.094 34.604 32.500 0.017 0.000 1.213 191 K HN 0.414 nan 8.250 nan 0.000 0.428 192 A N 4.804 127.621 122.820 -0.005 0.000 1.935 192 A HA -0.218 4.102 4.320 -0.000 0.000 0.224 192 A C -0.444 177.114 177.584 -0.043 0.000 1.324 192 A CA 2.206 54.213 52.037 -0.050 0.000 0.686 192 A CB -1.555 17.426 19.000 -0.032 0.000 0.837 192 A HN 0.661 nan 8.150 nan 0.000 0.481 193 P HA -0.144 nan 4.420 nan 0.000 0.218 193 P C 0.962 178.262 177.300 0.000 0.000 1.149 193 P CA 1.380 64.475 63.100 -0.009 0.000 0.817 193 P CB -0.186 31.512 31.700 -0.002 0.000 0.785 194 R N -1.490 119.012 120.500 0.003 0.000 2.334 194 R HA 0.328 4.668 4.340 -0.000 0.000 0.220 194 R C 1.036 177.337 176.300 0.000 0.000 0.917 194 R CA 0.048 56.154 56.100 0.011 0.000 1.073 194 R CB -0.109 30.200 30.300 0.014 0.000 1.056 194 R HN 0.289 nan 8.270 nan 0.000 0.506 195 M N -0.003 119.583 119.600 -0.025 0.000 2.664 195 M HA 0.440 4.920 4.480 -0.000 0.000 0.314 195 M C -0.959 175.315 176.300 -0.043 0.000 1.200 195 M CA -1.056 54.214 55.300 -0.049 0.000 0.916 195 M CB 2.810 35.336 32.600 -0.125 0.000 1.717 195 M HN -0.286 nan 8.290 nan 0.000 0.470 196 V N 2.337 122.251 119.914 -0.000 0.000 2.668 196 V HA 0.395 4.515 4.120 -0.000 0.000 0.304 196 V C -1.385 174.761 176.094 0.085 0.000 1.071 196 V CA -0.720 61.602 62.300 0.035 0.000 0.894 196 V CB 2.272 34.145 31.823 0.084 0.000 1.008 196 V HN 0.659 nan 8.190 nan 0.000 0.425 197 L N 5.110 126.352 121.223 0.031 0.000 2.264 197 L HA 0.879 5.219 4.340 -0.000 0.000 0.287 197 L C 0.240 177.207 176.870 0.161 0.000 1.039 197 L CA 0.228 55.126 54.840 0.096 0.000 0.829 197 L CB 0.764 42.834 42.059 0.018 0.000 1.211 197 L HN 0.802 nan 8.230 nan 0.000 0.427 198 A N 4.233 127.214 122.820 0.268 0.000 2.337 198 A HA 1.004 5.324 4.320 -0.000 0.000 0.331 198 A C -0.819 176.891 177.584 0.210 0.000 1.137 198 A CA -0.016 52.122 52.037 0.169 0.000 0.807 198 A CB 1.503 20.500 19.000 -0.006 0.000 1.250 198 A HN 1.046 nan 8.150 nan 0.000 0.468 199 A N -0.078 122.814 122.820 0.119 0.000 2.574 199 A HA 0.903 5.223 4.320 -0.000 0.000 0.297 199 A C -0.586 177.033 177.584 0.058 0.000 1.062 199 A CA 0.103 52.210 52.037 0.117 0.000 0.686 199 A CB 1.282 20.353 19.000 0.118 0.000 1.285 199 A HN 2.554 nan 8.150 nan 0.000 0.403 200 A N 0.237 123.087 122.820 0.051 0.000 2.549 200 A HA 1.047 5.367 4.320 -0.000 0.000 0.297 200 A C 0.257 177.857 177.584 0.027 0.000 1.061 200 A CA 0.272 52.320 52.037 0.018 0.000 0.690 200 A CB 1.169 20.162 19.000 -0.012 0.000 1.287 200 A HN 2.903 nan 8.150 nan 0.000 0.402 201 G N -0.191 108.618 108.800 0.015 0.000 2.255 201 G HA2 0.460 4.420 3.960 -0.000 0.000 0.216 201 G HA3 0.460 4.420 3.960 -0.000 0.000 0.216 201 G C 0.295 175.203 174.900 0.012 0.000 1.307 201 G CA 0.038 45.147 45.100 0.014 0.000 1.162 201 G HN 1.928 nan 8.290 nan 0.000 0.494 202 G N 0.522 109.329 108.800 0.012 0.000 3.161 202 G HA2 0.578 4.538 3.960 -0.000 0.000 0.293 202 G HA3 0.578 4.538 3.960 -0.000 0.000 0.293 202 G C -0.178 174.732 174.900 0.016 0.000 0.893 202 G CA -0.027 45.079 45.100 0.010 0.000 1.756 202 G HN 0.673 nan 8.290 nan 0.000 0.549 203 I N 0.219 120.804 120.570 0.025 0.000 2.730 203 I HA 0.296 4.466 4.170 -0.000 0.000 0.298 203 I C -0.041 176.104 176.117 0.046 0.000 1.089 203 I CA -0.976 60.344 61.300 0.034 0.000 1.041 203 I CB 2.543 40.570 38.000 0.044 0.000 1.235 203 I HN 0.245 nan 8.210 nan 0.000 0.423 204 S N 2.950 118.677 115.700 0.044 0.000 2.465 204 S HA 0.119 4.589 4.470 -0.000 0.000 0.279 204 S C 1.024 175.673 174.600 0.082 0.000 1.201 204 S CA -0.105 58.129 58.200 0.057 0.000 1.053 204 S CB 0.186 63.407 63.200 0.034 0.000 0.953 204 S HN 0.688 nan 8.310 nan 0.000 0.488 205 H N 5.918 124.995 119.070 0.011 0.000 2.321 205 H HA -0.115 4.441 4.556 -0.000 0.000 0.295 205 H C 1.626 176.967 175.328 0.022 0.000 1.102 205 H CA 2.500 58.557 56.048 0.015 0.000 1.266 205 H CB 0.165 29.931 29.762 0.007 0.000 1.363 205 H HN 0.541 nan 8.280 nan 0.000 0.492 206 K N 0.893 121.272 120.400 -0.035 0.000 1.977 206 K HA -0.166 4.154 4.320 -0.000 0.000 0.218 206 K C 2.151 178.708 176.600 -0.072 0.000 1.051 206 K CA 1.829 58.067 56.287 -0.081 0.000 0.953 206 K CB -0.847 31.649 32.500 -0.007 0.000 0.727 206 K HN 0.569 nan 8.250 nan 0.000 0.445 207 E N 0.764 120.951 120.200 -0.022 0.000 2.233 207 E HA -0.221 4.129 4.350 -0.000 0.000 0.199 207 E C 1.975 178.570 176.600 -0.009 0.000 1.004 207 E CA 0.936 57.331 56.400 -0.008 0.000 0.819 207 E CB -0.226 29.477 29.700 0.006 0.000 0.738 207 E HN 0.092 nan 8.360 nan 0.000 0.478 208 L N 0.438 121.645 121.223 -0.026 0.000 2.007 208 L HA -0.103 4.237 4.340 -0.000 0.000 0.205 208 L C 2.376 179.232 176.870 -0.023 0.000 1.073 208 L CA 1.384 56.219 54.840 -0.008 0.000 0.744 208 L CB -0.747 41.315 42.059 0.004 0.000 0.898 208 L HN 0.015 nan 8.230 nan 0.000 0.435 209 V N -0.138 119.697 119.914 -0.132 0.000 2.392 209 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 209 V C 2.150 178.228 176.094 -0.027 0.000 1.059 209 V CA 2.339 64.574 62.300 -0.107 0.000 1.051 209 V CB -0.580 31.100 31.823 -0.239 0.000 0.658 209 V HN 0.573 nan 8.190 nan 0.000 0.455 210 D N 0.790 121.172 120.400 -0.031 0.000 2.084 210 D HA -0.120 4.520 4.640 -0.000 0.000 0.194 210 D C 2.238 178.554 176.300 0.026 0.000 0.990 210 D CA 1.866 55.862 54.000 -0.006 0.000 0.826 210 D CB -0.466 40.328 40.800 -0.010 0.000 0.971 210 D HN 0.573 nan 8.370 nan 0.000 0.453 211 A N 1.008 123.860 122.820 0.053 0.000 2.024 211 A HA -0.057 4.263 4.320 -0.000 0.000 0.220 211 A C 2.246 179.945 177.584 0.191 0.000 1.164 211 A CA 2.071 54.181 52.037 0.122 0.000 0.643 211 A CB -0.455 18.607 19.000 0.103 0.000 0.806 211 A HN 0.253 nan 8.150 nan 0.000 0.451 212 A N -0.203 122.712 122.820 0.158 0.000 1.840 212 A HA -0.086 4.234 4.320 -0.000 0.000 0.214 212 A C 2.178 179.891 177.584 0.215 0.000 1.198 212 A CA 1.405 53.601 52.037 0.264 0.000 0.608 212 A CB -0.492 18.645 19.000 0.227 0.000 0.839 212 A HN 0.476 nan 8.150 nan 0.000 0.443 213 R N -0.778 119.788 120.500 0.109 0.000 2.117 213 R HA -0.221 4.119 4.340 -0.000 0.000 0.243 213 R C 2.494 178.797 176.300 0.006 0.000 1.143 213 R CA 1.928 58.064 56.100 0.060 0.000 0.968 213 R CB -0.271 30.040 30.300 0.018 0.000 0.863 213 R HN 0.762 nan 8.270 nan 0.000 0.444 214 Q N -0.963 118.805 119.800 -0.053 0.000 2.119 214 Q HA -0.158 4.182 4.340 -0.000 0.000 0.201 214 Q C 0.881 176.633 176.000 -0.413 0.000 0.972 214 Q CA 1.626 57.286 55.803 -0.238 0.000 0.847 214 Q CB 0.224 28.773 28.738 -0.316 0.000 0.903 214 Q HN 0.557 nan 8.270 nan 0.000 0.433 215 H N -2.727 116.264 119.070 -0.132 0.000 2.740 215 H HA 0.183 4.739 4.556 -0.000 0.000 0.265 215 H C -0.501 174.585 175.328 -0.404 0.000 0.978 215 H CA -0.014 55.861 56.048 -0.288 0.000 1.198 215 H CB 0.659 30.169 29.762 -0.420 0.000 1.467 215 H HN 0.048 nan 8.280 nan 0.000 0.511 216 F N 1.406 121.407 119.950 0.085 0.000 2.532 216 F HA 0.167 4.694 4.527 -0.000 0.000 0.313 216 F C 1.164 176.971 175.800 0.010 0.000 1.301 216 F CA -0.579 57.450 58.000 0.048 0.000 1.154 216 F CB 0.767 39.796 39.000 0.048 0.000 1.335 216 F HN 0.152 nan 8.300 nan 0.000 0.542 217 S N 0.027 115.794 115.700 0.112 0.000 2.348 217 S HA 0.012 4.482 4.470 -0.000 0.000 0.219 217 S C 1.685 176.306 174.600 0.035 0.000 1.033 217 S CA 0.396 58.624 58.200 0.046 0.000 0.974 217 S CB -0.863 62.335 63.200 -0.002 0.000 0.868 217 S HN 0.472 nan 8.310 nan 0.000 0.459 218 G N 2.846 111.673 108.800 0.045 0.000 2.888 218 G HA2 0.174 4.134 3.960 -0.000 0.000 0.311 218 G HA3 0.174 4.134 3.960 -0.000 0.000 0.311 218 G C -0.147 174.730 174.900 -0.039 0.000 0.310 218 G CA 0.094 45.204 45.100 0.016 0.000 1.201 218 G HN 0.439 nan 8.290 nan 0.000 0.194 219 V N 2.785 122.622 119.914 -0.127 0.000 2.837 219 V HA 0.607 4.727 4.120 -0.000 0.000 0.310 219 V C 0.722 176.590 176.094 -0.378 0.000 1.059 219 V CA -0.287 61.875 62.300 -0.229 0.000 1.004 219 V CB 1.907 33.563 31.823 -0.277 0.000 1.045 219 V HN 0.993 nan 8.190 nan 0.000 0.465 220 S N 1.345 116.850 115.700 -0.325 0.000 2.578 220 S HA 0.640 5.110 4.470 -0.000 0.000 0.283 220 S C -0.009 174.354 174.600 -0.396 0.000 1.195 220 S CA -0.477 57.553 58.200 -0.282 0.000 1.050 220 S CB 1.273 64.412 63.200 -0.102 0.000 1.012 220 S HN 0.433 nan 8.310 nan 0.000 0.511 221 F N 0.744 120.709 119.950 0.025 0.000 2.480 221 F HA 0.162 4.689 4.527 -0.000 0.000 0.280 221 F C 1.852 177.688 175.800 0.059 0.000 1.002 221 F CA 0.287 58.309 58.000 0.036 0.000 1.325 221 F CB -0.526 38.492 39.000 0.030 0.000 1.134 221 F HN 0.683 nan 8.300 nan 0.000 0.646 222 T N -1.653 113.060 114.554 0.265 0.000 2.816 222 T HA 0.066 4.416 4.350 -0.000 0.000 0.282 222 T C 0.789 175.599 174.700 0.182 0.000 0.993 222 T CA -0.320 61.918 62.100 0.230 0.000 0.994 222 T CB 0.602 69.568 68.868 0.163 0.000 1.025 222 T HN 0.438 nan 8.240 nan 0.000 0.529 223 Y N -0.075 120.256 120.300 0.052 0.000 2.373 223 Y HA 0.198 4.748 4.550 -0.000 0.000 0.293 223 Y C 2.305 178.225 175.900 0.034 0.000 1.129 223 Y CA 0.330 58.452 58.100 0.037 0.000 1.226 223 Y CB -0.444 38.036 38.460 0.033 0.000 1.000 223 Y HN 0.491 nan 8.280 nan 0.000 0.549 224 K N 1.073 120.967 120.400 -0.842 0.000 2.026 224 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 224 K C 1.848 178.299 176.600 -0.249 0.000 1.048 224 K CA 1.973 57.874 56.287 -0.644 0.000 0.929 224 K CB -0.205 31.960 32.500 -0.559 0.000 0.713 224 K HN 0.517 nan 8.250 nan 0.000 0.439 225 E N 0.843 120.956 120.200 -0.145 0.000 2.171 225 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 225 E C 0.898 177.468 176.600 -0.050 0.000 0.997 225 E CA 1.452 57.810 56.400 -0.069 0.000 0.810 225 E CB -0.127 29.557 29.700 -0.027 0.000 0.738 225 E HN 0.386 nan 8.360 nan 0.000 0.467 226 D N -0.058 120.319 120.400 -0.039 0.000 2.340 226 D HA 0.100 4.740 4.640 -0.000 0.000 0.220 226 D C -0.256 176.041 176.300 -0.005 0.000 1.039 226 D CA 0.080 54.074 54.000 -0.010 0.000 0.866 226 D CB 0.452 41.263 40.800 0.018 0.000 0.913 226 D HN 0.076 nan 8.370 nan 0.000 0.523 227 A N 0.801 123.602 122.820 -0.032 0.000 2.276 227 A HA 0.467 4.787 4.320 -0.000 0.000 0.316 227 A C -0.349 177.236 177.584 0.001 0.000 1.229 227 A CA -0.592 51.437 52.037 -0.014 0.000 0.851 227 A CB 1.096 20.070 19.000 -0.044 0.000 1.165 227 A HN 0.105 nan 8.150 nan 0.000 0.513 228 V N 5.879 125.811 119.914 0.030 0.000 2.408 228 V HA 0.439 4.559 4.120 -0.000 0.000 0.267 228 V C -1.823 174.313 176.094 0.070 0.000 1.047 228 V CA -1.760 60.572 62.300 0.054 0.000 0.937 228 V CB 0.937 32.799 31.823 0.065 0.000 0.999 228 V HN 0.875 nan 8.190 nan 0.000 0.472 229 P HA 0.251 nan 4.420 nan 0.000 0.271 229 P C -0.463 176.901 177.300 0.107 0.000 1.226 229 P CA -0.011 63.145 63.100 0.094 0.000 0.765 229 P CB 0.661 32.430 31.700 0.114 0.000 0.835 230 I N 3.518 124.130 120.570 0.070 0.000 2.371 230 I HA 0.160 4.330 4.170 -0.000 0.000 0.290 230 I C 0.939 177.069 176.117 0.022 0.000 1.028 230 I CA -0.723 60.610 61.300 0.055 0.000 1.345 230 I CB 0.494 38.523 38.000 0.049 0.000 1.407 230 I HN 0.181 nan 8.210 nan 0.000 0.501 231 L N 8.045 129.256 121.223 -0.020 0.000 2.395 231 L HA 0.346 4.686 4.340 -0.000 0.000 0.269 231 L C -1.716 175.121 176.870 -0.055 0.000 1.133 231 L CA -1.680 53.107 54.840 -0.089 0.000 0.812 231 L CB 0.280 42.202 42.059 -0.229 0.000 1.125 231 L HN 0.442 nan 8.230 nan 0.000 0.452 232 P HA 0.067 nan 4.420 nan 0.000 0.271 232 P C -0.757 176.524 177.300 -0.032 0.000 1.220 232 P CA -0.484 62.600 63.100 -0.026 0.000 0.768 232 P CB 0.643 32.331 31.700 -0.020 0.000 0.848 233 R N 2.814 123.312 120.500 -0.002 0.000 2.623 233 R HA 0.144 4.484 4.340 -0.000 0.000 0.271 233 R C -0.926 175.388 176.300 0.022 0.000 1.043 233 R CA 0.004 56.112 56.100 0.013 0.000 1.083 233 R CB -0.009 30.317 30.300 0.043 0.000 0.974 233 R HN 0.456 nan 8.270 nan 0.000 0.436 234 C N 4.947 124.263 119.300 0.028 0.000 2.273 234 C HA 0.356 4.816 4.460 -0.000 0.000 0.328 234 C C 0.322 175.452 174.990 0.233 0.000 1.275 234 C CA -0.621 58.442 59.018 0.074 0.000 1.704 234 C CB 0.372 28.065 27.740 -0.078 0.000 2.326 234 C HN 0.845 nan 8.230 nan 0.000 0.517 235 R N 3.134 123.767 120.500 0.221 0.000 2.347 235 R HA 0.258 4.598 4.340 -0.000 0.000 0.304 235 R C -0.694 175.784 176.300 0.298 0.000 1.072 235 R CA -0.211 56.027 56.100 0.230 0.000 0.980 235 R CB 0.353 30.730 30.300 0.128 0.000 0.986 235 R HN 0.690 nan 8.270 nan 0.000 0.448 236 F N 3.047 123.084 119.950 0.144 0.000 2.399 236 F HA 0.246 4.773 4.527 -0.000 0.000 0.342 236 F C -0.575 175.200 175.800 -0.041 0.000 1.106 236 F CA 0.496 58.489 58.000 -0.011 0.000 1.196 236 F CB 1.421 40.406 39.000 -0.026 0.000 1.163 236 F HN 0.418 nan 8.300 nan 0.000 0.547 237 T N 4.525 118.507 114.554 -0.954 0.000 2.949 237 T HA 0.396 4.746 4.350 -0.000 0.000 0.300 237 T C -0.094 174.204 174.700 -0.670 0.000 0.988 237 T CA -0.541 61.224 62.100 -0.560 0.000 0.993 237 T CB 1.123 69.790 68.868 -0.336 0.000 0.984 237 T HN 0.931 nan 8.240 nan 0.000 0.442 238 G N 2.736 111.382 108.800 -0.257 0.000 2.335 238 G HA2 0.485 4.445 3.960 -0.000 0.000 0.268 238 G HA3 0.485 4.445 3.960 -0.000 0.000 0.268 238 G C 0.038 174.801 174.900 -0.229 0.000 1.228 238 G CA -0.079 44.988 45.100 -0.055 0.000 0.968 238 G HN 0.957 nan 8.290 nan 0.000 0.459 239 S N 1.162 116.720 115.700 -0.237 0.000 2.669 239 S HA 0.690 5.160 4.470 -0.000 0.000 0.266 239 S C -1.010 173.485 174.600 -0.175 0.000 1.149 239 S CA -0.916 57.045 58.200 -0.398 0.000 0.842 239 S CB 1.776 64.784 63.200 -0.320 0.000 1.160 239 S HN 0.998 nan 8.310 nan 0.000 0.487 240 E N -0.136 119.958 120.200 -0.177 0.000 2.408 240 E HA 0.799 5.149 4.350 -0.000 0.000 0.275 240 E C -1.478 175.067 176.600 -0.092 0.000 0.935 240 E CA -1.163 55.211 56.400 -0.043 0.000 0.775 240 E CB 2.165 31.924 29.700 0.099 0.000 1.277 240 E HN 0.828 nan 8.360 nan 0.000 0.455 241 I N 0.850 121.366 120.570 -0.089 0.000 2.534 241 I HA 0.459 4.629 4.170 -0.000 0.000 0.288 241 I C -1.518 174.520 176.117 -0.132 0.000 1.077 241 I CA -0.817 60.395 61.300 -0.147 0.000 1.051 241 I CB 1.406 39.275 38.000 -0.218 0.000 1.234 241 I HN 0.568 nan 8.210 nan 0.000 0.425 242 R N 6.578 127.003 120.500 -0.125 0.000 2.388 242 R HA 0.621 4.961 4.340 -0.000 0.000 0.314 242 R C -0.818 175.421 176.300 -0.103 0.000 0.959 242 R CA -0.740 55.311 56.100 -0.083 0.000 0.851 242 R CB 1.913 32.190 30.300 -0.038 0.000 1.168 242 R HN 0.650 nan 8.270 nan 0.000 0.472 243 A N 4.056 126.824 122.820 -0.087 0.000 2.341 243 A HA 0.291 4.611 4.320 -0.000 0.000 0.326 243 A C -0.038 177.554 177.584 0.014 0.000 1.402 243 A CA -0.555 51.451 52.037 -0.052 0.000 0.957 243 A CB 0.236 19.242 19.000 0.011 0.000 1.151 243 A HN 0.711 nan 8.150 nan 0.000 0.533 244 R N 1.981 122.484 120.500 0.005 0.000 2.312 244 R HA 0.463 4.803 4.340 -0.000 0.000 0.311 244 R C -1.618 174.698 176.300 0.026 0.000 1.004 244 R CA -0.271 55.841 56.100 0.020 0.000 0.902 244 R CB 0.839 31.147 30.300 0.012 0.000 1.073 244 R HN 0.572 nan 8.270 nan 0.000 0.457 245 D N 2.781 123.202 120.400 0.035 0.000 2.323 245 D HA 0.121 4.761 4.640 -0.000 0.000 0.242 245 D C -0.498 175.823 176.300 0.035 0.000 1.347 245 D CA -0.408 53.612 54.000 0.033 0.000 0.988 245 D CB 1.246 42.068 40.800 0.037 0.000 1.314 245 D HN 0.518 nan 8.370 nan 0.000 0.564 246 D N 1.993 122.410 120.400 0.029 0.000 2.310 246 D HA -0.047 4.593 4.640 -0.000 0.000 0.212 246 D C 1.685 178.002 176.300 0.030 0.000 0.965 246 D CA 0.542 54.560 54.000 0.030 0.000 0.879 246 D CB 0.306 41.121 40.800 0.025 0.000 0.921 246 D HN 0.504 nan 8.370 nan 0.000 0.510 247 A N 0.280 123.116 122.820 0.027 0.000 2.209 247 A HA 0.028 4.348 4.320 -0.000 0.000 0.212 247 A C 1.162 178.763 177.584 0.028 0.000 1.158 247 A CA 0.128 52.180 52.037 0.025 0.000 0.742 247 A CB -0.224 18.788 19.000 0.021 0.000 0.790 247 A HN 0.156 nan 8.150 nan 0.000 0.472 248 L N 0.609 121.852 121.223 0.034 0.000 2.371 248 L HA 0.177 4.517 4.340 -0.000 0.000 0.272 248 L C -0.825 176.070 176.870 0.041 0.000 1.124 248 L CA -1.730 53.133 54.840 0.039 0.000 0.816 248 L CB 0.934 43.023 42.059 0.051 0.000 1.129 248 L HN 0.137 nan 8.230 nan 0.000 0.448 249 P HA -0.106 nan 4.420 nan 0.000 0.215 249 P C 0.134 177.445 177.300 0.018 0.000 1.157 249 P CA 1.279 64.393 63.100 0.025 0.000 0.863 249 P CB 0.152 31.860 31.700 0.013 0.000 0.787 250 V N -4.530 115.394 119.914 0.017 0.000 2.962 250 V HA 0.875 4.995 4.120 -0.000 0.000 0.313 250 V C -0.616 175.533 176.094 0.092 0.000 1.099 250 V CA -1.464 60.837 62.300 0.002 0.000 0.971 250 V CB 1.476 33.200 31.823 -0.166 0.000 1.028 250 V HN 0.185 nan 8.190 nan 0.000 0.430 251 A N 2.308 125.180 122.820 0.086 0.000 2.293 251 A HA 0.766 5.086 4.320 -0.000 0.000 0.302 251 A C -0.277 177.358 177.584 0.085 0.000 1.119 251 A CA -0.555 51.558 52.037 0.127 0.000 0.823 251 A CB 0.454 19.516 19.000 0.104 0.000 1.097 251 A HN 1.048 nan 8.150 nan 0.000 0.491 252 H N 0.104 119.178 119.070 0.006 0.000 2.524 252 H HA 0.605 5.161 4.556 -0.000 0.000 0.353 252 H C -1.359 173.880 175.328 -0.150 0.000 1.136 252 H CA -0.468 55.562 56.048 -0.029 0.000 1.193 252 H CB 2.023 31.870 29.762 0.142 0.000 1.558 252 H HN 0.392 nan 8.280 nan 0.000 0.515 253 V N 1.717 121.440 119.914 -0.319 0.000 2.733 253 V HA 0.533 4.653 4.120 -0.000 0.000 0.306 253 V C -0.685 175.192 176.094 -0.361 0.000 1.084 253 V CA -0.774 61.251 62.300 -0.458 0.000 0.905 253 V CB 1.720 32.974 31.823 -0.948 0.000 1.010 253 V HN 0.913 nan 8.190 nan 0.000 0.424 254 A N 4.533 127.231 122.820 -0.203 0.000 2.393 254 A HA 0.990 5.310 4.320 -0.000 0.000 0.306 254 A C -1.564 175.846 177.584 -0.291 0.000 1.050 254 A CA -0.555 51.360 52.037 -0.203 0.000 0.724 254 A CB 1.745 20.562 19.000 -0.305 0.000 1.248 254 A HN 0.970 nan 8.150 nan 0.000 0.424 255 L N 1.699 122.627 121.223 -0.492 0.000 2.431 255 L HA 0.913 5.253 4.340 -0.000 0.000 0.266 255 L C -0.363 176.306 176.870 -0.334 0.000 0.978 255 L CA 0.216 54.777 54.840 -0.465 0.000 0.822 255 L CB 1.949 43.566 42.059 -0.737 0.000 1.310 255 L HN 1.389 nan 8.230 nan 0.000 0.409 256 A N 3.456 126.287 122.820 0.018 0.000 2.606 256 A HA 0.822 5.142 4.320 -0.000 0.000 0.293 256 A C -1.404 176.352 177.584 0.286 0.000 1.082 256 A CA -0.136 52.023 52.037 0.202 0.000 0.685 256 A CB 1.616 20.767 19.000 0.252 0.000 1.284 256 A HN 1.224 nan 8.150 nan 0.000 0.408 257 V N -1.457 118.576 119.914 0.198 0.000 3.096 257 V HA 0.712 4.832 4.120 -0.000 0.000 0.319 257 V C 0.159 176.057 176.094 -0.327 0.000 1.103 257 V CA -0.838 61.447 62.300 -0.024 0.000 1.016 257 V CB 1.494 33.286 31.823 -0.053 0.000 1.090 257 V HN 0.986 nan 8.190 nan 0.000 0.449 258 E N 0.748 120.407 120.200 -0.902 0.000 2.384 258 E HA 0.441 4.791 4.350 -0.000 0.000 0.266 258 E C 0.250 176.730 176.600 -0.199 0.000 1.012 258 E CA 0.276 56.218 56.400 -0.764 0.000 0.901 258 E CB 1.013 30.119 29.700 -0.990 0.000 0.967 258 E HN 1.083 nan 8.360 nan 0.000 0.435 259 G N 3.535 112.287 108.800 -0.079 0.000 2.488 259 G HA2 0.248 4.208 3.960 -0.000 0.000 0.318 259 G HA3 0.248 4.208 3.960 -0.000 0.000 0.318 259 G C -1.741 173.143 174.900 -0.027 0.000 1.188 259 G CA -0.982 44.061 45.100 -0.095 0.000 0.944 259 G HN 0.464 nan 8.290 nan 0.000 0.495 260 P HA 0.118 nan 4.420 nan 0.000 0.222 260 P C 0.808 178.115 177.300 0.011 0.000 1.153 260 P CA 1.271 64.392 63.100 0.034 0.000 0.798 260 P CB 0.342 32.046 31.700 0.007 0.000 0.796 261 G N -0.688 108.056 108.800 -0.093 0.000 2.907 261 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 261 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 261 G C 0.090 174.974 174.900 -0.026 0.000 1.115 261 G CA -0.408 44.631 45.100 -0.102 0.000 0.760 261 G HN 0.001 nan 8.290 nan 0.000 0.620 262 W N 1.091 122.450 121.300 0.097 0.000 2.221 262 W HA -0.317 4.343 4.660 -0.000 0.000 0.357 262 W C 2.932 179.598 176.519 0.245 0.000 1.538 262 W CA 3.267 60.673 57.345 0.102 0.000 1.560 262 W CB -0.880 28.540 29.460 -0.067 0.000 1.021 262 W HN 1.373 nan 8.180 nan 0.000 0.470 263 A N -0.741 122.349 122.820 0.451 0.000 2.032 263 A HA -0.184 4.136 4.320 -0.000 0.000 0.221 263 A C 0.984 178.739 177.584 0.285 0.000 1.165 263 A CA 1.556 53.817 52.037 0.374 0.000 0.645 263 A CB -0.710 18.445 19.000 0.258 0.000 0.807 263 A HN 0.230 nan 8.150 nan 0.000 0.453 264 D N -0.692 119.841 120.400 0.222 0.000 2.383 264 D HA 0.202 4.842 4.640 -0.000 0.000 0.252 264 D C -1.680 174.714 176.300 0.157 0.000 1.166 264 D CA -1.718 52.376 54.000 0.157 0.000 0.879 264 D CB 1.194 42.059 40.800 0.108 0.000 1.164 264 D HN 0.018 nan 8.370 nan 0.000 0.462 265 P HA -0.088 nan 4.420 nan 0.000 0.220 265 P C 0.641 177.997 177.300 0.094 0.000 1.148 265 P CA 0.633 63.814 63.100 0.135 0.000 0.803 265 P CB 0.377 32.141 31.700 0.106 0.000 0.782 266 D N -0.969 119.462 120.400 0.051 0.000 2.182 266 D HA -0.161 4.479 4.640 -0.000 0.000 0.201 266 D C 1.644 177.880 176.300 -0.106 0.000 0.986 266 D CA 0.799 54.786 54.000 -0.021 0.000 0.847 266 D CB -0.831 39.955 40.800 -0.023 0.000 0.942 266 D HN 0.161 nan 8.370 nan 0.000 0.467 267 N N 0.463 119.112 118.700 -0.086 0.000 2.258 267 N HA -0.129 4.611 4.740 -0.000 0.000 0.187 267 N C 1.920 177.400 175.510 -0.049 0.000 1.012 267 N CA 0.491 53.457 53.050 -0.139 0.000 0.870 267 N CB -0.037 38.445 38.487 -0.008 0.000 0.977 267 N HN 0.136 nan 8.380 nan 0.000 0.434 268 V N 0.715 120.660 119.914 0.052 0.000 2.261 268 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 268 V C 2.480 178.604 176.094 0.051 0.000 1.047 268 V CA 1.242 63.584 62.300 0.070 0.000 1.015 268 V CB -0.536 31.349 31.823 0.103 0.000 0.642 268 V HN 0.053 nan 8.190 nan 0.000 0.446 269 V N -0.260 119.661 119.914 0.011 0.000 2.343 269 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 269 V C 2.352 178.430 176.094 -0.027 0.000 1.051 269 V CA 1.797 64.096 62.300 -0.001 0.000 1.036 269 V CB -0.628 31.183 31.823 -0.020 0.000 0.654 269 V HN 0.424 nan 8.190 nan 0.000 0.451 270 L N -0.611 120.532 121.223 -0.133 0.000 2.013 270 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 270 L C 2.556 179.476 176.870 0.083 0.000 1.073 270 L CA 2.150 56.902 54.840 -0.148 0.000 0.753 270 L CB -0.782 41.056 42.059 -0.368 0.000 0.890 270 L HN 0.431 nan 8.230 nan 0.000 0.432 271 H N -1.573 117.547 119.070 0.084 0.000 2.387 271 H HA -0.143 4.413 4.556 -0.000 0.000 0.299 271 H C 2.258 177.644 175.328 0.097 0.000 1.090 271 H CA 1.230 57.331 56.048 0.089 0.000 1.332 271 H CB 0.107 29.872 29.762 0.005 0.000 1.386 271 H HN 0.062 nan 8.280 nan 0.000 0.516 272 V N 0.705 120.731 119.914 0.186 0.000 2.407 272 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 272 V C 2.561 178.742 176.094 0.145 0.000 1.055 272 V CA 1.531 63.915 62.300 0.139 0.000 1.049 272 V CB -0.882 30.996 31.823 0.093 0.000 0.662 272 V HN 0.566 nan 8.190 nan 0.000 0.455 273 A N 0.454 123.364 122.820 0.150 0.000 1.845 273 A HA -0.296 4.024 4.320 -0.000 0.000 0.215 273 A C 2.062 179.777 177.584 0.218 0.000 1.195 273 A CA 2.353 54.495 52.037 0.174 0.000 0.616 273 A CB -0.989 18.124 19.000 0.188 0.000 0.832 273 A HN 0.652 nan 8.150 nan 0.000 0.443 274 N N -0.111 118.742 118.700 0.256 0.000 2.258 274 N HA -0.124 4.616 4.740 -0.000 0.000 0.187 274 N C 1.801 177.419 175.510 0.180 0.000 1.012 274 N CA 0.866 54.036 53.050 0.200 0.000 0.870 274 N CB -0.203 38.383 38.487 0.166 0.000 0.977 274 N HN 0.544 nan 8.380 nan 0.000 0.434 275 A N 0.915 123.845 122.820 0.182 0.000 1.969 275 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 275 A C 2.064 179.687 177.584 0.065 0.000 1.169 275 A CA 0.784 52.907 52.037 0.143 0.000 0.635 275 A CB -0.389 18.741 19.000 0.216 0.000 0.810 275 A HN 0.189 nan 8.150 nan 0.000 0.445 276 I N -0.242 120.385 120.570 0.095 0.000 2.179 276 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 276 I C 2.266 178.426 176.117 0.072 0.000 1.088 276 I CA 1.394 62.737 61.300 0.071 0.000 1.357 276 I CB -0.283 37.766 38.000 0.081 0.000 1.051 276 I HN 0.305 nan 8.210 nan 0.000 0.409 277 I N -0.072 120.565 120.570 0.112 0.000 2.286 277 I HA -0.046 4.124 4.170 -0.000 0.000 0.245 277 I C 1.747 177.978 176.117 0.190 0.000 1.104 277 I CA 0.841 62.216 61.300 0.125 0.000 1.397 277 I CB -0.977 37.105 38.000 0.137 0.000 1.072 277 I HN 0.466 nan 8.210 nan 0.000 0.417 278 G N 1.942 110.836 108.800 0.157 0.000 2.566 278 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.280 278 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.280 278 G C 0.104 175.082 174.900 0.131 0.000 1.225 278 G CA 0.473 45.637 45.100 0.107 0.000 0.966 278 G HN 0.647 nan 8.290 nan 0.000 0.560 279 R N -1.992 118.448 120.500 -0.101 0.000 2.795 279 R HA 0.792 5.132 4.340 -0.000 0.000 0.268 279 R C -1.129 174.692 176.300 -0.798 0.000 1.041 279 R CA -0.981 54.788 56.100 -0.551 0.000 0.927 279 R CB 1.598 31.790 30.300 -0.181 0.000 1.235 279 R HN 1.571 nan 8.270 nan 0.000 0.463 280 Y N 0.269 119.748 120.300 -1.369 0.000 2.656 280 Y HA 0.484 5.034 4.550 -0.000 0.000 0.334 280 Y C -2.295 172.941 175.900 -1.106 0.000 1.179 280 Y CA -0.674 56.546 58.100 -1.467 0.000 1.050 280 Y CB 2.444 40.298 38.460 -1.010 0.000 1.308 280 Y HN 1.021 nan 8.280 nan 0.000 0.456 281 D N 1.434 120.452 120.400 -2.304 0.000 2.747 281 D HA 0.235 4.875 4.640 -0.000 0.000 0.218 281 D C -0.539 175.019 176.300 -1.236 0.000 1.230 281 D CA -0.568 52.658 54.000 -1.290 0.000 0.774 281 D CB 1.181 41.686 40.800 -0.491 0.000 1.667 281 D HN 0.627 nan 8.370 nan 0.000 0.499 282 R N 0.685 120.753 120.500 -0.721 0.000 2.429 282 R HA -0.115 4.225 4.340 -0.000 0.000 0.249 282 R C 1.152 177.392 176.300 -0.099 0.000 1.203 282 R CA 1.913 57.835 56.100 -0.296 0.000 1.062 282 R CB -0.488 29.742 30.300 -0.115 0.000 0.849 282 R HN 0.656 nan 8.270 nan 0.000 0.494 283 T N -3.440 111.095 114.554 -0.031 0.000 3.054 283 T HA 0.143 4.493 4.350 -0.000 0.000 0.255 283 T C 0.186 175.001 174.700 0.192 0.000 1.035 283 T CA -0.463 61.688 62.100 0.085 0.000 0.941 283 T CB 0.068 68.975 68.868 0.064 0.000 1.026 283 T HN -0.164 nan 8.240 nan 0.000 0.533 284 F N 2.472 122.352 119.950 -0.117 0.000 2.506 284 F HA 0.562 5.089 4.527 -0.000 0.000 0.371 284 F C 1.711 177.534 175.800 0.038 0.000 1.078 284 F CA -1.051 56.935 58.000 -0.022 0.000 1.195 284 F CB 0.680 39.699 39.000 0.032 0.000 1.099 284 F HN 0.181 nan 8.300 nan 0.000 0.548 285 G N 2.361 111.237 108.800 0.127 0.000 2.448 285 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.218 285 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.218 285 G C 1.801 176.776 174.900 0.125 0.000 1.135 285 G CA 0.591 45.750 45.100 0.098 0.000 0.784 285 G HN 0.875 nan 8.290 nan 0.000 0.543 286 G N 0.660 109.551 108.800 0.151 0.000 2.479 286 G HA2 0.196 4.156 3.960 -0.000 0.000 0.220 286 G HA3 0.196 4.156 3.960 -0.000 0.000 0.220 286 G C 1.505 176.492 174.900 0.143 0.000 1.115 286 G CA 0.935 46.129 45.100 0.157 0.000 0.757 286 G HN 1.112 nan 8.290 nan 0.000 0.560 287 G N 1.222 110.121 108.800 0.165 0.000 2.661 287 G HA2 -0.468 3.492 3.960 -0.000 0.000 0.327 287 G HA3 -0.468 3.492 3.960 -0.000 0.000 0.327 287 G C 1.302 176.162 174.900 -0.066 0.000 1.320 287 G CA 1.685 46.831 45.100 0.077 0.000 0.997 287 G HN 0.978 nan 8.290 nan 0.000 0.543 288 K N 0.068 120.343 120.400 -0.209 0.000 2.520 288 K HA -0.039 4.281 4.320 -0.000 0.000 0.197 288 K C 1.747 178.128 176.600 -0.364 0.000 1.043 288 K CA 2.186 58.274 56.287 -0.331 0.000 0.944 288 K CB -0.242 32.009 32.500 -0.415 0.000 0.770 288 K HN 0.743 nan 8.250 nan 0.000 0.480 289 H N 0.169 119.231 119.070 -0.013 0.000 2.586 289 H HA 0.271 4.827 4.556 -0.000 0.000 0.273 289 H C -0.089 175.241 175.328 0.004 0.000 0.997 289 H CA -0.714 55.329 56.048 -0.008 0.000 1.177 289 H CB 0.279 30.042 29.762 0.001 0.000 1.471 289 H HN -0.027 nan 8.280 nan 0.000 0.538 290 L N 0.865 122.139 121.223 0.084 0.000 2.514 290 L HA -0.086 4.254 4.340 -0.000 0.000 0.280 290 L C 1.189 178.088 176.870 0.049 0.000 1.223 290 L CA 0.003 54.893 54.840 0.082 0.000 0.864 290 L CB 0.749 42.859 42.059 0.084 0.000 1.118 290 L HN 0.280 nan 8.230 nan 0.000 0.494 291 S N 0.430 116.160 115.700 0.050 0.000 2.423 291 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 291 S C 0.997 175.608 174.600 0.017 0.000 1.014 291 S CA 0.654 58.872 58.200 0.030 0.000 0.965 291 S CB -0.050 63.166 63.200 0.026 0.000 0.785 291 S HN 0.729 nan 8.310 nan 0.000 0.495 292 S N 1.496 117.210 115.700 0.023 0.000 2.481 292 S HA 0.136 4.606 4.470 -0.000 0.000 0.282 292 S C 1.128 175.727 174.600 -0.002 0.000 1.243 292 S CA -0.539 57.678 58.200 0.029 0.000 1.078 292 S CB 0.346 63.593 63.200 0.078 0.000 0.916 292 S HN 0.311 nan 8.310 nan 0.000 0.495 293 R N 3.034 123.523 120.500 -0.020 0.000 2.091 293 R HA -0.113 4.227 4.340 -0.000 0.000 0.238 293 R C 2.072 178.316 176.300 -0.093 0.000 1.136 293 R CA 1.601 57.669 56.100 -0.054 0.000 0.959 293 R CB -0.491 29.775 30.300 -0.056 0.000 0.856 293 R HN 0.644 nan 8.270 nan 0.000 0.437 294 L N 0.759 121.915 121.223 -0.112 0.000 2.083 294 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 294 L C 2.192 178.991 176.870 -0.118 0.000 1.083 294 L CA 1.835 56.540 54.840 -0.224 0.000 0.752 294 L CB -0.636 41.139 42.059 -0.473 0.000 0.899 294 L HN 0.169 nan 8.230 nan 0.000 0.433 295 A N -0.469 122.369 122.820 0.030 0.000 1.877 295 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 295 A C 2.475 179.849 177.584 -0.349 0.000 1.186 295 A CA 1.842 53.803 52.037 -0.128 0.000 0.620 295 A CB -1.201 17.753 19.000 -0.075 0.000 0.822 295 A HN 0.552 nan 8.150 nan 0.000 0.443 296 A N -0.266 122.432 122.820 -0.205 0.000 1.883 296 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 296 A C 2.215 179.658 177.584 -0.234 0.000 1.186 296 A CA 1.614 53.527 52.037 -0.207 0.000 0.624 296 A CB -0.697 18.225 19.000 -0.130 0.000 0.822 296 A HN 0.473 nan 8.150 nan 0.000 0.444 297 L N -0.802 120.314 121.223 -0.180 0.000 2.012 297 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 297 L C 3.155 179.939 176.870 -0.143 0.000 1.073 297 L CA 1.190 55.964 54.840 -0.109 0.000 0.748 297 L CB -0.608 41.419 42.059 -0.054 0.000 0.891 297 L HN 0.452 nan 8.230 nan 0.000 0.431 298 A N -0.374 122.308 122.820 -0.229 0.000 1.917 298 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 298 A C 2.304 179.725 177.584 -0.272 0.000 1.182 298 A CA 2.235 54.123 52.037 -0.248 0.000 0.633 298 A CB -0.935 17.881 19.000 -0.307 0.000 0.819 298 A HN 0.225 nan 8.150 nan 0.000 0.448 299 V N -0.100 119.572 119.914 -0.403 0.000 2.229 299 V HA -0.278 3.841 4.120 -0.000 0.000 0.243 299 V C 2.544 178.499 176.094 -0.232 0.000 1.042 299 V CA 2.297 64.419 62.300 -0.297 0.000 1.000 299 V CB -0.911 30.726 31.823 -0.311 0.000 0.637 299 V HN 0.821 nan 8.190 nan 0.000 0.446 300 E N -0.080 119.937 120.200 -0.305 0.000 2.065 300 E HA -0.291 4.059 4.350 -0.000 0.000 0.201 300 E C 1.830 178.180 176.600 -0.416 0.000 1.016 300 E CA 2.021 58.177 56.400 -0.406 0.000 0.818 300 E CB -0.183 29.162 29.700 -0.593 0.000 0.749 300 E HN 0.751 nan 8.360 nan 0.000 0.453 301 H N 0.224 119.220 119.070 -0.123 0.000 2.524 301 H HA 0.148 4.704 4.556 0.000 0.000 0.280 301 H C -0.020 175.245 175.328 -0.105 0.000 1.018 301 H CA 0.338 56.320 56.048 -0.109 0.000 1.165 301 H CB 0.478 30.172 29.762 -0.114 0.000 1.411 301 H HN 0.102 nan 8.280 nan 0.000 0.569 302 K N 0.966 121.345 120.400 -0.035 0.000 3.278 302 K HA -0.191 4.129 4.320 -0.000 0.000 0.270 302 K C 0.993 177.568 176.600 -0.043 0.000 0.955 302 K CA 0.119 56.378 56.287 -0.046 0.000 0.723 302 K CB -1.856 30.618 32.500 -0.042 0.000 1.382 302 K HN 0.427 nan 8.250 nan 0.000 0.461 303 L N -1.503 119.687 121.223 -0.056 0.000 2.240 303 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 303 L C 1.395 178.212 176.870 -0.090 0.000 1.106 303 L CA 1.129 55.912 54.840 -0.094 0.000 0.793 303 L CB -0.024 41.942 42.059 -0.156 0.000 0.927 303 L HN 0.664 nan 8.230 nan 0.000 0.446 304 C N -5.388 113.902 119.300 -0.016 0.000 3.275 304 C HA 0.255 4.715 4.460 -0.000 0.000 0.340 304 C C 1.319 176.370 174.990 0.102 0.000 1.366 304 C CA -1.000 58.062 59.018 0.073 0.000 1.227 304 C CB 0.989 28.770 27.740 0.067 0.000 1.512 304 C HN 0.174 nan 8.230 nan 0.000 0.461 305 H N 0.833 119.937 119.070 0.057 0.000 2.512 305 H HA 0.222 4.778 4.556 -0.000 0.000 0.279 305 H C 1.003 176.295 175.328 -0.060 0.000 0.999 305 H CA 1.661 57.715 56.048 0.009 0.000 1.283 305 H CB 0.488 30.244 29.762 -0.010 0.000 1.421 305 H HN 0.975 nan 8.280 nan 0.000 0.554 306 S N -0.244 115.531 115.700 0.125 0.000 2.633 306 S HA 0.399 4.869 4.470 -0.000 0.000 0.271 306 S C -1.568 173.141 174.600 0.182 0.000 1.112 306 S CA -1.053 57.149 58.200 0.003 0.000 0.828 306 S CB 1.570 64.734 63.200 -0.060 0.000 1.086 306 S HN 0.231 nan 8.310 nan 0.000 0.461 307 F N -0.557 119.429 119.950 0.059 0.000 2.688 307 F HA 0.803 5.330 4.527 -0.000 0.000 0.308 307 F C -1.568 174.325 175.800 0.154 0.000 1.117 307 F CA -0.675 57.400 58.000 0.125 0.000 0.976 307 F CB 1.110 40.160 39.000 0.085 0.000 1.291 307 F HN 1.004 nan 8.300 nan 0.000 0.439 308 Q N 1.359 121.481 119.800 0.537 0.000 2.421 308 Q HA 0.735 5.075 4.340 -0.000 0.000 0.280 308 Q C -1.583 174.736 176.000 0.530 0.000 1.085 308 Q CA -0.977 55.087 55.803 0.435 0.000 0.807 308 Q CB 2.704 31.692 28.738 0.416 0.000 1.405 308 Q HN 0.873 nan 8.270 nan 0.000 0.419 309 T N -0.567 114.213 114.554 0.377 0.000 2.895 309 T HA 0.815 5.165 4.350 -0.000 0.000 0.283 309 T C -0.424 174.399 174.700 0.205 0.000 1.014 309 T CA -0.621 61.592 62.100 0.188 0.000 1.037 309 T CB 0.644 69.598 68.868 0.143 0.000 1.006 309 T HN 0.591 nan 8.240 nan 0.000 0.468 310 F N -0.472 119.538 119.950 0.099 0.000 2.645 310 F HA 0.791 5.318 4.527 -0.000 0.000 0.310 310 F C -0.843 174.931 175.800 -0.044 0.000 1.102 310 F CA -1.269 56.788 58.000 0.094 0.000 0.952 310 F CB 1.779 40.901 39.000 0.204 0.000 1.326 310 F HN 0.579 nan 8.300 nan 0.000 0.456 311 N N 0.801 119.697 118.700 0.328 0.000 2.752 311 N HA 0.220 4.960 4.740 -0.000 0.000 0.260 311 N C -1.603 173.980 175.510 0.121 0.000 1.562 311 N CA -0.182 52.967 53.050 0.165 0.000 0.788 311 N CB 1.010 39.449 38.487 -0.081 0.000 1.192 311 N HN 0.721 nan 8.380 nan 0.000 0.503 312 T N 1.301 115.948 114.554 0.155 0.000 2.751 312 T HA 0.188 4.538 4.350 -0.000 0.000 0.290 312 T C 0.075 174.507 174.700 -0.447 0.000 0.919 312 T CA 0.279 62.311 62.100 -0.113 0.000 1.136 312 T CB 0.146 68.961 68.868 -0.089 0.000 0.875 312 T HN 0.248 nan 8.240 nan 0.000 0.532 313 S N 2.940 118.200 115.700 -0.733 0.000 2.646 313 S HA 0.676 5.146 4.470 -0.000 0.000 0.276 313 S C -0.747 173.133 174.600 -1.199 0.000 1.222 313 S CA -0.615 56.879 58.200 -1.177 0.000 1.014 313 S CB 0.737 62.678 63.200 -2.098 0.000 0.991 313 S HN 0.643 nan 8.310 nan 0.000 0.533 314 Y N -0.656 119.272 120.300 -0.620 0.000 2.677 314 Y HA 0.204 4.754 4.550 -0.000 0.000 0.334 314 Y C 1.728 177.617 175.900 -0.018 0.000 1.154 314 Y CA -1.086 56.941 58.100 -0.122 0.000 1.070 314 Y CB 1.199 39.652 38.460 -0.013 0.000 1.294 314 Y HN 0.745 nan 8.280 nan 0.000 0.475 315 S N -0.058 115.915 115.700 0.455 0.000 2.365 315 S HA -0.238 4.232 4.470 -0.000 0.000 0.221 315 S C 1.024 175.756 174.600 0.219 0.000 1.037 315 S CA 2.049 60.473 58.200 0.373 0.000 1.060 315 S CB -0.436 62.920 63.200 0.261 0.000 0.974 315 S HN 0.869 nan 8.310 nan 0.000 0.427 316 D N -0.113 120.380 120.400 0.156 0.000 2.369 316 D HA 0.225 4.865 4.640 -0.000 0.000 0.211 316 D C 0.931 177.306 176.300 0.124 0.000 1.077 316 D CA 0.471 54.542 54.000 0.119 0.000 0.842 316 D CB 0.398 41.248 40.800 0.083 0.000 0.947 316 D HN 0.473 nan 8.370 nan 0.000 0.509 317 T N -1.811 112.832 114.554 0.149 0.000 2.606 317 T HA 0.605 4.955 4.350 -0.000 0.000 0.280 317 T C -1.151 173.646 174.700 0.162 0.000 1.074 317 T CA 0.189 62.401 62.100 0.187 0.000 1.140 317 T CB 1.326 70.373 68.868 0.298 0.000 1.631 317 T HN 0.343 nan 8.240 nan 0.000 0.464 318 G N -0.135 108.830 108.800 0.276 0.000 2.315 318 G HA2 0.476 4.436 3.960 -0.000 0.000 0.294 318 G HA3 0.476 4.436 3.960 -0.000 0.000 0.294 318 G C -2.437 172.601 174.900 0.230 0.000 1.300 318 G CA -0.686 44.491 45.100 0.129 0.000 0.843 318 G HN 0.753 nan 8.290 nan 0.000 0.527 319 L N 0.446 121.763 121.223 0.157 0.000 2.446 319 L HA 0.505 4.845 4.340 -0.000 0.000 0.268 319 L C -1.395 175.688 176.870 0.355 0.000 0.975 319 L CA -0.521 54.478 54.840 0.265 0.000 0.848 319 L CB 2.022 44.277 42.059 0.327 0.000 1.225 319 L HN 0.537 nan 8.230 nan 0.000 0.410 320 F N 3.211 123.194 119.950 0.055 0.000 2.388 320 F HA 0.792 5.319 4.527 -0.000 0.000 0.358 320 F C 0.368 176.121 175.800 -0.079 0.000 1.122 320 F CA 0.056 58.021 58.000 -0.058 0.000 1.056 320 F CB 1.284 40.159 39.000 -0.208 0.000 1.155 320 F HN 0.433 nan 8.300 nan 0.000 0.461 321 G N 4.389 112.700 108.800 -0.815 0.000 2.588 321 G HA2 0.530 4.490 3.960 -0.000 0.000 0.281 321 G HA3 0.530 4.490 3.960 -0.000 0.000 0.281 321 G C -1.823 172.483 174.900 -0.990 0.000 1.223 321 G CA -0.353 44.377 45.100 -0.617 0.000 0.871 321 G HN 0.798 nan 8.290 nan 0.000 0.492 322 F N -0.980 118.579 119.950 -0.651 0.000 2.678 322 F HA 0.803 5.330 4.527 0.000 0.000 0.308 322 F C -1.235 174.635 175.800 0.116 0.000 1.118 322 F CA -1.280 56.550 58.000 -0.283 0.000 0.959 322 F CB 1.727 40.579 39.000 -0.246 0.000 1.305 322 F HN 0.762 nan 8.300 nan 0.000 0.443 323 H N 2.414 121.779 119.070 0.491 0.000 2.679 323 H HA 0.691 5.247 4.556 -0.000 0.000 0.360 323 H C -2.166 173.443 175.328 0.469 0.000 1.105 323 H CA -0.868 55.389 56.048 0.349 0.000 1.196 323 H CB 2.383 32.390 29.762 0.408 0.000 1.636 323 H HN 0.827 nan 8.280 nan 0.000 0.531 324 F N 2.174 121.963 119.950 -0.270 0.000 2.613 324 F HA 0.601 5.128 4.527 -0.000 0.000 0.310 324 F C -2.164 173.388 175.800 -0.414 0.000 1.085 324 F CA -1.005 56.851 58.000 -0.240 0.000 0.945 324 F CB 0.861 39.866 39.000 0.008 0.000 1.298 324 F HN 0.140 nan 8.300 nan 0.000 0.455 325 V N 2.407 122.336 119.914 0.026 0.000 2.409 325 V HA 0.924 5.044 4.120 -0.000 0.000 0.291 325 V C -0.196 175.996 176.094 0.165 0.000 1.020 325 V CA -0.153 62.055 62.300 -0.153 0.000 0.848 325 V CB 0.660 32.269 31.823 -0.357 0.000 0.990 325 V HN 1.308 nan 8.190 nan 0.000 0.430 326 A N 3.604 126.543 122.820 0.198 0.000 2.564 326 A HA 0.744 5.064 4.320 -0.000 0.000 0.288 326 A C -1.074 176.630 177.584 0.199 0.000 1.164 326 A CA -0.809 51.388 52.037 0.268 0.000 0.712 326 A CB 1.293 20.430 19.000 0.228 0.000 1.303 326 A HN 0.686 nan 8.150 nan 0.000 0.418 327 D N 1.488 122.018 120.400 0.217 0.000 2.313 327 D HA 0.252 4.892 4.640 -0.000 0.000 0.247 327 D C -1.389 174.976 176.300 0.108 0.000 1.094 327 D CA -0.991 53.104 54.000 0.157 0.000 0.925 327 D CB 0.971 41.866 40.800 0.160 0.000 1.188 327 D HN 0.250 nan 8.370 nan 0.000 0.430 328 P HA -0.177 nan 4.420 nan 0.000 0.218 328 P C 1.320 178.654 177.300 0.057 0.000 1.154 328 P CA 1.207 64.348 63.100 0.069 0.000 0.872 328 P CB 0.248 31.981 31.700 0.054 0.000 0.790 329 L N -0.492 120.757 121.223 0.044 0.000 2.612 329 L HA 0.075 4.415 4.340 -0.000 0.000 0.230 329 L C 1.595 178.470 176.870 0.008 0.000 1.140 329 L CA 0.804 55.657 54.840 0.022 0.000 0.896 329 L CB -0.617 41.450 42.059 0.013 0.000 1.065 329 L HN 0.128 nan 8.230 nan 0.000 0.447 330 S N -2.717 112.996 115.700 0.021 0.000 2.780 330 S HA 0.238 4.708 4.470 -0.000 0.000 0.248 330 S C 1.377 175.966 174.600 -0.017 0.000 1.036 330 S CA -0.430 57.762 58.200 -0.014 0.000 1.061 330 S CB 0.035 63.223 63.200 -0.020 0.000 1.037 330 S HN 0.226 nan 8.310 nan 0.000 0.584 331 I N 2.116 122.718 120.570 0.054 0.000 2.179 331 I HA -0.176 3.994 4.170 -0.000 0.000 0.242 331 I C 2.552 178.711 176.117 0.071 0.000 1.088 331 I CA 1.930 63.312 61.300 0.136 0.000 1.357 331 I CB -0.467 37.650 38.000 0.195 0.000 1.051 331 I HN 0.306 nan 8.210 nan 0.000 0.409 332 D N 1.140 121.562 120.400 0.037 0.000 2.092 332 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 332 D C 1.816 178.109 176.300 -0.011 0.000 0.994 332 D CA 1.572 55.583 54.000 0.019 0.000 0.828 332 D CB -0.036 40.757 40.800 -0.012 0.000 0.963 332 D HN 0.227 nan 8.370 nan 0.000 0.450 333 D N -0.568 119.786 120.400 -0.076 0.000 2.117 333 D HA -0.164 4.476 4.640 -0.000 0.000 0.197 333 D C 2.002 178.236 176.300 -0.111 0.000 0.987 333 D CA 0.739 54.678 54.000 -0.101 0.000 0.829 333 D CB -0.338 40.362 40.800 -0.168 0.000 0.961 333 D HN 0.260 nan 8.370 nan 0.000 0.460 334 M N 0.514 119.964 119.600 -0.249 0.000 2.065 334 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 334 M C 2.105 178.089 176.300 -0.526 0.000 1.069 334 M CA 1.358 56.349 55.300 -0.514 0.000 1.110 334 M CB -0.423 31.637 32.600 -0.900 0.000 1.328 334 M HN -0.030 nan 8.290 nan 0.000 0.405 335 M N -0.363 119.052 119.600 -0.309 0.000 2.080 335 M HA -0.171 4.309 4.480 -0.000 0.000 0.260 335 M C 1.945 178.174 176.300 -0.119 0.000 1.068 335 M CA 1.897 57.170 55.300 -0.045 0.000 1.109 335 M CB -1.024 31.687 32.600 0.185 0.000 1.342 335 M HN 0.433 nan 8.290 nan 0.000 0.405 336 F N 0.090 119.928 119.950 -0.188 0.000 2.091 336 F HA -0.286 4.241 4.527 -0.000 0.000 0.299 336 F C 2.136 177.796 175.800 -0.233 0.000 1.103 336 F CA 2.149 60.040 58.000 -0.182 0.000 1.228 336 F CB -0.772 38.128 39.000 -0.167 0.000 0.984 336 F HN 0.298 nan 8.300 nan 0.000 0.477 337 C N 0.411 119.581 119.300 -0.216 0.000 2.466 337 C HA 0.017 4.477 4.460 -0.000 0.000 0.278 337 C C 3.130 177.824 174.990 -0.494 0.000 1.288 337 C CA 0.817 59.637 59.018 -0.329 0.000 1.722 337 C CB -1.808 25.795 27.740 -0.229 0.000 2.017 337 C HN 0.667 nan 8.230 nan 0.000 0.488 338 A N 0.642 123.093 122.820 -0.615 0.000 1.841 338 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 338 A C 2.087 179.201 177.584 -0.782 0.000 1.199 338 A CA 1.812 53.300 52.037 -0.915 0.000 0.621 338 A CB -0.865 17.383 19.000 -1.254 0.000 0.835 338 A HN 0.726 nan 8.150 nan 0.000 0.445 339 Q N -0.813 118.654 119.800 -0.556 0.000 2.197 339 Q HA -0.153 4.187 4.340 -0.000 0.000 0.207 339 Q C 2.128 177.978 176.000 -0.251 0.000 0.984 339 Q CA 1.143 56.755 55.803 -0.318 0.000 0.869 339 Q CB -0.498 28.120 28.738 -0.201 0.000 0.906 339 Q HN 0.725 nan 8.270 nan 0.000 0.426 340 G N 1.178 109.731 108.800 -0.411 0.000 2.440 340 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.218 340 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.218 340 G C 1.287 176.074 174.900 -0.189 0.000 1.154 340 G CA 0.580 45.467 45.100 -0.356 0.000 0.767 340 G HN 0.198 nan 8.290 nan 0.000 0.552 341 E N -0.103 119.968 120.200 -0.216 0.000 2.150 341 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 341 E C 2.150 178.813 176.600 0.104 0.000 0.985 341 E CA 0.428 56.766 56.400 -0.104 0.000 0.814 341 E CB -0.249 29.331 29.700 -0.201 0.000 0.752 341 E HN 0.583 nan 8.360 nan 0.000 0.466 342 W N 0.618 121.859 121.300 -0.098 0.000 2.355 342 W HA -0.058 4.602 4.660 -0.000 0.000 0.309 342 W C 2.118 178.659 176.519 0.038 0.000 1.206 342 W CA 0.702 58.058 57.345 0.019 0.000 1.284 342 W CB -0.635 28.872 29.460 0.078 0.000 1.145 342 W HN 0.079 nan 8.180 nan 0.000 0.502 343 M N -0.373 119.374 119.600 0.245 0.000 2.213 343 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 343 M C 1.970 178.340 176.300 0.117 0.000 1.062 343 M CA 1.409 56.816 55.300 0.178 0.000 1.105 343 M CB -1.438 31.219 32.600 0.095 0.000 1.385 343 M HN 0.052 nan 8.290 nan 0.000 0.417 344 R N -0.051 120.488 120.500 0.064 0.000 2.081 344 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 344 R C 2.278 178.610 176.300 0.054 0.000 1.131 344 R CA 1.041 57.159 56.100 0.030 0.000 0.960 344 R CB -0.354 29.945 30.300 -0.001 0.000 0.856 344 R HN 0.341 nan 8.270 nan 0.000 0.436 345 L N -0.109 121.166 121.223 0.087 0.000 1.990 345 L HA -0.321 4.019 4.340 -0.000 0.000 0.213 345 L C 2.649 179.549 176.870 0.050 0.000 1.072 345 L CA 1.484 56.370 54.840 0.075 0.000 0.755 345 L CB -0.562 41.554 42.059 0.096 0.000 0.889 345 L HN 0.370 nan 8.230 nan 0.000 0.432 346 C N -1.209 118.133 119.300 0.069 0.000 2.425 346 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 346 C C 2.904 177.909 174.990 0.025 0.000 1.280 346 C CA 1.326 60.376 59.018 0.052 0.000 1.744 346 C CB -1.212 26.609 27.740 0.135 0.000 1.989 346 C HN 0.712 nan 8.230 nan 0.000 0.491 347 T N -1.864 112.718 114.554 0.046 0.000 3.034 347 T HA 0.052 4.402 4.350 -0.000 0.000 0.248 347 T C 0.914 175.622 174.700 0.013 0.000 1.040 347 T CA 1.059 63.175 62.100 0.027 0.000 1.107 347 T CB -0.183 68.717 68.868 0.054 0.000 0.932 347 T HN 0.490 nan 8.240 nan 0.000 0.474 348 S N 0.914 116.620 115.700 0.011 0.000 2.825 348 S HA 0.338 4.808 4.470 -0.000 0.000 0.242 348 S C -0.132 174.472 174.600 0.006 0.000 0.980 348 S CA -0.666 57.535 58.200 0.002 0.000 1.107 348 S CB -0.023 63.169 63.200 -0.013 0.000 1.172 348 S HN 0.290 nan 8.310 nan 0.000 0.483 349 T N 3.307 117.869 114.554 0.013 0.000 2.926 349 T HA 0.368 4.718 4.350 -0.000 0.000 0.307 349 T C 0.245 174.953 174.700 0.014 0.000 1.059 349 T CA 0.382 62.493 62.100 0.018 0.000 1.122 349 T CB 0.782 69.665 68.868 0.024 0.000 0.972 349 T HN 0.429 nan 8.240 nan 0.000 0.545 350 T N 2.901 117.464 114.554 0.015 0.000 2.888 350 T HA 0.226 4.576 4.350 -0.000 0.000 0.284 350 T C 1.265 175.975 174.700 0.017 0.000 1.017 350 T CA -0.888 61.220 62.100 0.013 0.000 1.022 350 T CB 1.642 70.516 68.868 0.010 0.000 1.013 350 T HN 0.497 nan 8.240 nan 0.000 0.465 351 E N 1.429 121.638 120.200 0.015 0.000 2.118 351 E HA -0.107 4.243 4.350 -0.000 0.000 0.195 351 E C 2.284 178.896 176.600 0.019 0.000 0.992 351 E CA 1.193 57.603 56.400 0.018 0.000 0.804 351 E CB -0.281 29.428 29.700 0.015 0.000 0.741 351 E HN 0.599 nan 8.360 nan 0.000 0.458 352 S N 1.307 117.016 115.700 0.016 0.000 2.359 352 S HA -0.181 4.289 4.470 -0.000 0.000 0.224 352 S C 1.900 176.512 174.600 0.021 0.000 1.035 352 S CA 1.240 59.449 58.200 0.016 0.000 1.018 352 S CB -0.285 62.922 63.200 0.012 0.000 0.876 352 S HN 0.340 nan 8.310 nan 0.000 0.448 353 E N 0.805 121.018 120.200 0.022 0.000 2.038 353 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 353 E C 2.450 179.072 176.600 0.037 0.000 1.000 353 E CA 1.615 58.031 56.400 0.028 0.000 0.803 353 E CB -0.531 29.186 29.700 0.027 0.000 0.750 353 E HN 0.552 nan 8.360 nan 0.000 0.448 354 V N 0.199 120.135 119.914 0.037 0.000 2.343 354 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 354 V C 2.266 178.387 176.094 0.044 0.000 1.051 354 V CA 1.659 63.986 62.300 0.044 0.000 1.036 354 V CB -0.507 31.340 31.823 0.040 0.000 0.654 354 V HN 0.091 nan 8.190 nan 0.000 0.451 355 K N 0.700 121.121 120.400 0.035 0.000 2.074 355 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 355 K C 2.494 179.115 176.600 0.035 0.000 1.048 355 K CA 2.357 58.663 56.287 0.031 0.000 0.926 355 K CB -0.325 32.189 32.500 0.024 0.000 0.713 355 K HN 0.608 nan 8.250 nan 0.000 0.444 356 R N -0.298 120.225 120.500 0.038 0.000 2.075 356 R HA 0.001 4.341 4.340 -0.000 0.000 0.226 356 R C 2.187 178.532 176.300 0.074 0.000 1.114 356 R CA 1.004 57.132 56.100 0.047 0.000 0.972 356 R CB -0.171 30.152 30.300 0.038 0.000 0.869 356 R HN 0.180 nan 8.270 nan 0.000 0.437 357 A N 1.416 124.280 122.820 0.074 0.000 1.940 357 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 357 A C 1.939 179.596 177.584 0.121 0.000 1.176 357 A CA 1.539 53.638 52.037 0.104 0.000 0.631 357 A CB -0.258 18.797 19.000 0.090 0.000 0.814 357 A HN 0.319 nan 8.150 nan 0.000 0.446 358 K N -0.218 120.232 120.400 0.083 0.000 2.025 358 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 358 K C 1.767 178.397 176.600 0.050 0.000 1.049 358 K CA 1.381 57.708 56.287 0.066 0.000 0.933 358 K CB -0.206 32.326 32.500 0.053 0.000 0.714 358 K HN 0.407 nan 8.250 nan 0.000 0.438 359 N N 0.485 119.210 118.700 0.042 0.000 2.166 359 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 359 N C 1.797 177.321 175.510 0.022 0.000 1.019 359 N CA 1.311 54.364 53.050 0.004 0.000 0.856 359 N CB -0.407 38.078 38.487 -0.003 0.000 0.993 359 N HN 0.329 nan 8.380 nan 0.000 0.426 360 H N 0.519 119.589 119.070 -0.001 0.000 2.353 360 H HA -0.007 4.549 4.556 -0.000 0.000 0.300 360 H C 1.984 177.315 175.328 0.005 0.000 1.090 360 H CA 1.087 57.140 56.048 0.008 0.000 1.327 360 H CB -0.268 29.512 29.762 0.031 0.000 1.383 360 H HN 0.051 nan 8.280 nan 0.000 0.508 361 L N 0.673 121.908 121.223 0.020 0.000 2.056 361 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 361 L C 2.299 179.114 176.870 -0.091 0.000 1.078 361 L CA 1.527 56.341 54.840 -0.044 0.000 0.749 361 L CB -0.575 41.497 42.059 0.022 0.000 0.901 361 L HN 0.199 nan 8.230 nan 0.000 0.433 362 R N -0.940 119.534 120.500 -0.044 0.000 2.094 362 R HA -0.159 4.181 4.340 -0.000 0.000 0.239 362 R C 2.218 178.493 176.300 -0.042 0.000 1.137 362 R CA 1.791 57.886 56.100 -0.009 0.000 0.943 362 R CB -0.874 29.418 30.300 -0.013 0.000 0.850 362 R HN 0.374 nan 8.270 nan 0.000 0.433 363 S N 0.739 116.378 115.700 -0.102 0.000 2.402 363 S HA -0.188 4.282 4.470 -0.000 0.000 0.233 363 S C 2.044 176.562 174.600 -0.137 0.000 1.030 363 S CA 1.292 59.424 58.200 -0.113 0.000 1.003 363 S CB -0.218 62.896 63.200 -0.144 0.000 0.813 363 S HN 0.504 nan 8.310 nan 0.000 0.477 364 A N 2.502 125.195 122.820 -0.212 0.000 1.873 364 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 364 A C 2.242 179.763 177.584 -0.105 0.000 1.186 364 A CA 1.787 53.709 52.037 -0.191 0.000 0.616 364 A CB -0.778 18.081 19.000 -0.235 0.000 0.823 364 A HN 0.675 nan 8.150 nan 0.000 0.442 365 M N -1.064 118.481 119.600 -0.092 0.000 2.117 365 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 365 M C 1.807 178.119 176.300 0.020 0.000 1.065 365 M CA 2.132 57.405 55.300 -0.044 0.000 1.114 365 M CB -0.879 31.695 32.600 -0.043 0.000 1.361 365 M HN 0.020 nan 8.290 nan 0.000 0.408 366 V N 1.713 121.645 119.914 0.031 0.000 2.343 366 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 366 V C 3.005 179.109 176.094 0.017 0.000 1.051 366 V CA 2.033 64.362 62.300 0.048 0.000 1.036 366 V CB -1.282 30.586 31.823 0.074 0.000 0.654 366 V HN 0.687 nan 8.190 nan 0.000 0.451 367 A N -0.935 121.879 122.820 -0.009 0.000 2.121 367 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 367 A C 2.055 179.634 177.584 -0.009 0.000 1.154 367 A CA 1.135 53.163 52.037 -0.015 0.000 0.679 367 A CB -0.373 18.605 19.000 -0.036 0.000 0.795 367 A HN 0.660 nan 8.150 nan 0.000 0.458 368 Q N -0.746 119.050 119.800 -0.006 0.000 2.444 368 Q HA 0.173 4.513 4.340 -0.000 0.000 0.206 368 Q C 0.076 176.075 176.000 -0.002 0.000 0.948 368 Q CA 0.366 56.169 55.803 0.000 0.000 0.946 368 Q CB 0.019 28.763 28.738 0.010 0.000 1.027 368 Q HN 0.640 nan 8.270 nan 0.000 0.513 369 L N 0.593 121.816 121.223 -0.000 0.000 3.168 369 L HA 0.304 4.644 4.340 -0.000 0.000 0.277 369 L C -0.433 176.433 176.870 -0.006 0.000 1.308 369 L CA -0.372 54.461 54.840 -0.011 0.000 0.976 369 L CB 0.408 42.461 42.059 -0.009 0.000 1.383 369 L HN -0.092 nan 8.230 nan 0.000 0.572 370 D N 1.585 121.984 120.400 -0.002 0.000 2.499 370 D HA 0.547 5.187 4.640 -0.000 0.000 0.225 370 D C 0.458 176.762 176.300 0.007 0.000 1.124 370 D CA 0.426 54.428 54.000 0.003 0.000 0.938 370 D CB 0.599 41.402 40.800 0.005 0.000 1.014 370 D HN 0.405 nan 8.370 nan 0.000 0.517 371 G N 1.246 110.049 108.800 0.005 0.000 2.354 371 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.582 371 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.582 371 G C 0.806 175.710 174.900 0.007 0.000 1.316 371 G CA -0.051 45.057 45.100 0.013 0.000 0.995 371 G HN 0.326 nan 8.290 nan 0.000 0.573 372 T N -3.096 111.470 114.554 0.020 0.000 2.852 372 T HA 0.044 4.394 4.350 -0.000 0.000 0.256 372 T C 2.368 177.077 174.700 0.016 0.000 1.038 372 T CA 2.580 64.691 62.100 0.019 0.000 1.141 372 T CB -0.771 68.119 68.868 0.038 0.000 0.869 372 T HN 0.812 nan 8.240 nan 0.000 0.439 373 T N 3.487 118.062 114.554 0.035 0.000 2.635 373 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 373 T C -0.327 174.343 174.700 -0.050 0.000 1.040 373 T CA 1.792 63.889 62.100 -0.005 0.000 1.156 373 T CB -1.409 67.470 68.868 0.017 0.000 0.863 373 T HN 0.468 nan 8.240 nan 0.000 0.430 374 P HA 0.053 nan 4.420 nan 0.000 0.220 374 P C 1.538 178.792 177.300 -0.077 0.000 1.148 374 P CA 0.712 63.788 63.100 -0.040 0.000 0.803 374 P CB -0.176 31.516 31.700 -0.014 0.000 0.782 375 V N -0.134 119.735 119.914 -0.076 0.000 2.488 375 V HA -0.163 3.957 4.120 -0.000 0.000 0.246 375 V C 2.941 178.926 176.094 -0.182 0.000 1.046 375 V CA 1.651 63.885 62.300 -0.110 0.000 1.053 375 V CB -1.389 30.388 31.823 -0.077 0.000 0.679 375 V HN 0.219 nan 8.190 nan 0.000 0.458 376 C N 0.412 119.613 119.300 -0.166 0.000 2.440 376 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 376 C C 2.858 177.434 174.990 -0.690 0.000 1.295 376 C CA 1.487 60.346 59.018 -0.264 0.000 1.738 376 C CB -0.522 27.211 27.740 -0.013 0.000 1.987 376 C HN 0.704 nan 8.230 nan 0.000 0.492 377 E N 0.383 120.304 120.200 -0.465 0.000 2.110 377 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 377 E C 2.059 178.330 176.600 -0.549 0.000 0.988 377 E CA 2.231 58.330 56.400 -0.503 0.000 0.804 377 E CB -0.456 29.218 29.700 -0.043 0.000 0.745 377 E HN 0.585 nan 8.360 nan 0.000 0.458 378 T N 0.533 114.872 114.554 -0.359 0.000 2.737 378 T HA -0.057 4.293 4.350 -0.000 0.000 0.265 378 T C 1.853 176.329 174.700 -0.373 0.000 1.038 378 T CA 1.470 63.404 62.100 -0.277 0.000 1.144 378 T CB -0.254 68.453 68.868 -0.268 0.000 0.866 378 T HN 0.157 nan 8.240 nan 0.000 0.434 379 I N 1.072 121.380 120.570 -0.436 0.000 2.127 379 I HA -0.137 4.033 4.170 -0.000 0.000 0.241 379 I C 2.921 178.810 176.117 -0.381 0.000 1.075 379 I CA 1.395 62.483 61.300 -0.355 0.000 1.334 379 I CB -0.884 36.940 38.000 -0.293 0.000 1.040 379 I HN 0.323 nan 8.210 nan 0.000 0.405 380 G N 0.137 108.484 108.800 -0.755 0.000 2.469 380 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 380 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 380 G C 1.747 176.393 174.900 -0.423 0.000 1.150 380 G CA 1.277 45.910 45.100 -0.778 0.000 0.763 380 G HN 0.396 nan 8.290 nan 0.000 0.561 381 S N -0.507 114.924 115.700 -0.447 0.000 2.348 381 S HA -0.002 4.468 4.470 -0.000 0.000 0.219 381 S C 1.922 176.401 174.600 -0.201 0.000 1.033 381 S CA 0.593 58.641 58.200 -0.254 0.000 0.974 381 S CB -0.537 62.537 63.200 -0.210 0.000 0.868 381 S HN 0.547 nan 8.310 nan 0.000 0.459 382 H N 1.150 120.092 119.070 -0.213 0.000 2.357 382 H HA -0.092 4.464 4.556 -0.000 0.000 0.296 382 H C 2.085 177.386 175.328 -0.045 0.000 1.108 382 H CA 1.512 57.548 56.048 -0.019 0.000 1.273 382 H CB -0.249 29.556 29.762 0.072 0.000 1.367 382 H HN 0.245 nan 8.280 nan 0.000 0.498 383 L N -0.094 121.154 121.223 0.041 0.000 2.005 383 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 383 L C 2.581 179.431 176.870 -0.033 0.000 1.072 383 L CA 0.496 55.341 54.840 0.009 0.000 0.744 383 L CB -0.317 41.737 42.059 -0.008 0.000 0.895 383 L HN 0.187 nan 8.230 nan 0.000 0.433 384 L N 0.096 121.279 121.223 -0.068 0.000 2.127 384 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 384 L C 2.110 178.894 176.870 -0.144 0.000 1.089 384 L CA 1.774 56.575 54.840 -0.066 0.000 0.757 384 L CB -0.763 41.278 42.059 -0.031 0.000 0.899 384 L HN 0.340 nan 8.230 nan 0.000 0.434 385 N N -2.693 115.803 118.700 -0.339 0.000 2.482 385 N HA -0.018 4.722 4.740 -0.000 0.000 0.179 385 N C 1.327 176.606 175.510 -0.384 0.000 1.039 385 N CA 0.743 53.468 53.050 -0.541 0.000 0.884 385 N CB 0.069 37.754 38.487 -1.336 0.000 1.113 385 N HN 0.320 nan 8.380 nan 0.000 0.440 386 Y N 0.024 120.254 120.300 -0.117 0.000 2.458 386 Y HA 0.365 4.915 4.550 -0.000 0.000 0.254 386 Y C 1.533 177.415 175.900 -0.032 0.000 1.120 386 Y CA -0.058 58.008 58.100 -0.056 0.000 1.282 386 Y CB 0.061 38.447 38.460 -0.123 0.000 1.109 386 Y HN 0.058 nan 8.280 nan 0.000 0.526 387 G N 1.473 110.324 108.800 0.085 0.000 2.176 387 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.252 387 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.252 387 G C 0.186 175.120 174.900 0.058 0.000 1.024 387 G CA 0.522 45.657 45.100 0.059 0.000 0.755 387 G HN 0.566 nan 8.290 nan 0.000 0.507 388 R N -3.064 117.484 120.500 0.080 0.000 2.979 388 R HA 0.631 4.971 4.340 -0.000 0.000 0.286 388 R C -1.146 175.208 176.300 0.089 0.000 0.972 388 R CA -1.120 55.008 56.100 0.047 0.000 0.828 388 R CB 0.412 30.717 30.300 0.008 0.000 1.368 388 R HN 0.333 nan 8.270 nan 0.000 0.511 389 R N 1.391 121.909 120.500 0.029 0.000 2.346 389 R HA 0.547 4.887 4.340 -0.000 0.000 0.311 389 R C -0.947 175.340 176.300 -0.022 0.000 0.983 389 R CA -0.582 55.552 56.100 0.057 0.000 0.880 389 R CB 0.908 31.165 30.300 -0.072 0.000 1.100 389 R HN 0.648 nan 8.270 nan 0.000 0.453 390 I N 4.330 124.946 120.570 0.078 0.000 2.328 390 I HA 0.230 4.400 4.170 -0.000 0.000 0.287 390 I C 0.170 176.068 176.117 -0.365 0.000 1.012 390 I CA -0.724 60.340 61.300 -0.393 0.000 1.195 390 I CB 1.578 38.932 38.000 -1.076 0.000 1.350 390 I HN 0.803 nan 8.210 nan 0.000 0.464 391 S N 5.966 121.488 115.700 -0.297 0.000 2.593 391 S HA 0.309 4.779 4.470 -0.000 0.000 0.269 391 S C 1.161 175.681 174.600 -0.134 0.000 1.334 391 S CA -0.691 57.397 58.200 -0.187 0.000 1.015 391 S CB 1.244 64.360 63.200 -0.140 0.000 0.912 391 S HN 0.597 nan 8.310 nan 0.000 0.541 392 L N 0.639 121.860 121.223 -0.004 0.000 2.079 392 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 392 L C 2.907 179.818 176.870 0.069 0.000 1.081 392 L CA 2.017 56.932 54.840 0.125 0.000 0.752 392 L CB -0.720 41.393 42.059 0.090 0.000 0.896 392 L HN 0.953 nan 8.230 nan 0.000 0.433 393 E N 0.408 120.590 120.200 -0.029 0.000 2.118 393 E HA -0.297 4.053 4.350 -0.000 0.000 0.195 393 E C 2.061 178.652 176.600 -0.015 0.000 0.992 393 E CA 1.615 57.985 56.400 -0.049 0.000 0.804 393 E CB 0.058 29.710 29.700 -0.079 0.000 0.741 393 E HN 0.501 nan 8.360 nan 0.000 0.458 394 E N -0.361 119.806 120.200 -0.054 0.000 2.033 394 E HA -0.145 4.205 4.350 -0.000 0.000 0.189 394 E C 1.835 178.479 176.600 0.074 0.000 0.979 394 E CA 0.808 57.166 56.400 -0.070 0.000 0.802 394 E CB -0.342 29.219 29.700 -0.233 0.000 0.763 394 E HN 0.437 nan 8.360 nan 0.000 0.449 395 W N 1.807 123.108 121.300 0.002 0.000 2.290 395 W HA -0.281 4.379 4.660 -0.000 0.000 0.323 395 W C 2.347 178.890 176.519 0.040 0.000 1.260 395 W CA 0.827 58.185 57.345 0.022 0.000 1.266 395 W CB -0.277 29.209 29.460 0.042 0.000 1.149 395 W HN 0.295 nan 8.180 nan 0.000 0.482 396 D N -0.259 120.331 120.400 0.316 0.000 2.123 396 D HA -0.216 4.424 4.640 -0.000 0.000 0.196 396 D C 2.158 178.560 176.300 0.170 0.000 0.992 396 D CA 1.850 55.984 54.000 0.224 0.000 0.833 396 D CB -0.309 40.607 40.800 0.193 0.000 0.954 396 D HN 0.093 nan 8.370 nan 0.000 0.455 397 S N -0.118 115.662 115.700 0.133 0.000 2.356 397 S HA -0.163 4.307 4.470 -0.000 0.000 0.223 397 S C 2.102 176.768 174.600 0.111 0.000 1.032 397 S CA 1.099 59.356 58.200 0.095 0.000 1.005 397 S CB -0.048 63.185 63.200 0.055 0.000 0.867 397 S HN 0.267 nan 8.310 nan 0.000 0.449 398 R N 0.297 120.889 120.500 0.153 0.000 2.073 398 R HA 0.040 4.380 4.340 -0.000 0.000 0.234 398 R C 2.384 178.769 176.300 0.142 0.000 1.134 398 R CA 1.808 58.005 56.100 0.162 0.000 0.952 398 R CB -0.584 29.870 30.300 0.257 0.000 0.850 398 R HN 0.460 nan 8.270 nan 0.000 0.433 399 I N 0.628 121.292 120.570 0.156 0.000 2.264 399 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 399 I C 1.967 178.140 176.117 0.094 0.000 1.111 399 I CA 1.246 62.612 61.300 0.111 0.000 1.382 399 I CB -0.211 37.851 38.000 0.103 0.000 1.060 399 I HN 0.109 nan 8.210 nan 0.000 0.418 400 S N 0.538 116.298 115.700 0.101 0.000 2.447 400 S HA -0.019 4.451 4.470 -0.000 0.000 0.233 400 S C 2.030 176.670 174.600 0.067 0.000 1.006 400 S CA 1.009 59.258 58.200 0.083 0.000 0.957 400 S CB -0.114 63.139 63.200 0.089 0.000 0.773 400 S HN 0.539 nan 8.310 nan 0.000 0.507 401 A N 0.948 123.809 122.820 0.068 0.000 2.169 401 A HA 0.254 4.574 4.320 -0.000 0.000 0.212 401 A C 0.851 178.465 177.584 0.050 0.000 1.153 401 A CA 0.080 52.151 52.037 0.056 0.000 0.756 401 A CB -0.130 18.904 19.000 0.056 0.000 0.813 401 A HN 0.262 nan 8.150 nan 0.000 0.471 402 V N 2.731 122.678 119.914 0.055 0.000 2.614 402 V HA 0.288 4.408 4.120 -0.000 0.000 0.291 402 V C -0.188 175.930 176.094 0.041 0.000 1.049 402 V CA -0.165 62.164 62.300 0.048 0.000 1.038 402 V CB 0.838 32.693 31.823 0.053 0.000 0.980 402 V HN 0.673 nan 8.190 nan 0.000 0.481 403 D N 3.569 123.989 120.400 0.033 0.000 2.559 403 D HA 0.505 5.145 4.640 -0.000 0.000 0.250 403 D C 0.686 177.001 176.300 0.025 0.000 1.135 403 D CA -0.055 53.962 54.000 0.029 0.000 0.955 403 D CB 2.106 42.920 40.800 0.025 0.000 1.442 403 D HN 0.443 nan 8.370 nan 0.000 0.471 404 A N 1.162 123.996 122.820 0.022 0.000 1.870 404 A HA -0.306 4.014 4.320 -0.000 0.000 0.219 404 A C 2.096 179.688 177.584 0.014 0.000 1.224 404 A CA 2.340 54.389 52.037 0.019 0.000 0.650 404 A CB -0.818 18.192 19.000 0.016 0.000 0.836 404 A HN 0.648 nan 8.150 nan 0.000 0.454 405 R N -0.755 119.751 120.500 0.011 0.000 2.140 405 R HA -0.218 4.122 4.340 -0.000 0.000 0.250 405 R C 2.198 178.501 176.300 0.005 0.000 1.150 405 R CA 2.388 58.491 56.100 0.006 0.000 0.966 405 R CB -0.618 29.686 30.300 0.006 0.000 0.869 405 R HN 0.717 nan 8.270 nan 0.000 0.445 406 M N -0.272 119.334 119.600 0.010 0.000 2.200 406 M HA -0.117 4.363 4.480 -0.000 0.000 0.265 406 M C 2.006 178.310 176.300 0.007 0.000 1.066 406 M CA 1.138 56.444 55.300 0.011 0.000 1.127 406 M CB 0.204 32.816 32.600 0.019 0.000 1.379 406 M HN -0.060 nan 8.290 nan 0.000 0.420 407 V N 0.554 120.474 119.914 0.010 0.000 2.343 407 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 407 V C 2.312 178.402 176.094 -0.006 0.000 1.051 407 V CA 1.785 64.088 62.300 0.005 0.000 1.036 407 V CB -0.877 30.959 31.823 0.020 0.000 0.654 407 V HN 0.477 nan 8.190 nan 0.000 0.451 408 R N 0.054 120.553 120.500 -0.002 0.000 2.073 408 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 408 R C 2.139 178.427 176.300 -0.021 0.000 1.134 408 R CA 1.825 57.919 56.100 -0.009 0.000 0.952 408 R CB -0.526 29.770 30.300 -0.008 0.000 0.850 408 R HN 0.560 nan 8.270 nan 0.000 0.433 409 D N 0.249 120.638 120.400 -0.019 0.000 2.097 409 D HA -0.122 4.518 4.640 -0.000 0.000 0.195 409 D C 2.066 178.355 176.300 -0.018 0.000 0.989 409 D CA 1.105 55.090 54.000 -0.025 0.000 0.827 409 D CB -0.311 40.479 40.800 -0.018 0.000 0.966 409 D HN 0.009 nan 8.370 nan 0.000 0.456 410 V N 1.069 120.983 119.914 -0.001 0.000 2.295 410 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 410 V C 2.813 178.923 176.094 0.027 0.000 1.049 410 V CA 1.390 63.712 62.300 0.037 0.000 1.024 410 V CB -0.599 31.225 31.823 0.001 0.000 0.648 410 V HN 0.280 nan 8.190 nan 0.000 0.447 411 C N -0.326 118.937 119.300 -0.062 0.000 2.429 411 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 411 C C 3.152 178.098 174.990 -0.074 0.000 1.262 411 C CA 1.404 60.342 59.018 -0.133 0.000 1.733 411 C CB -1.099 26.574 27.740 -0.111 0.000 2.010 411 C HN 0.620 nan 8.230 nan 0.000 0.483 412 S N 0.428 116.110 115.700 -0.029 0.000 2.359 412 S HA -0.252 4.218 4.470 -0.000 0.000 0.224 412 S C 1.901 176.492 174.600 -0.014 0.000 1.035 412 S CA 1.720 59.924 58.200 0.006 0.000 1.018 412 S CB -0.405 62.761 63.200 -0.058 0.000 0.876 412 S HN 0.710 nan 8.310 nan 0.000 0.448 413 K N -0.286 120.068 120.400 -0.077 0.000 2.152 413 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 413 K C 1.348 177.728 176.600 -0.367 0.000 1.048 413 K CA 1.416 57.578 56.287 -0.208 0.000 0.933 413 K CB -0.125 32.226 32.500 -0.247 0.000 0.721 413 K HN 0.447 nan 8.250 nan 0.000 0.447 414 Y N -0.786 119.386 120.300 -0.215 0.000 2.498 414 Y HA 0.196 4.746 4.550 -0.000 0.000 0.259 414 Y C 1.661 177.383 175.900 -0.297 0.000 1.086 414 Y CA 0.053 57.979 58.100 -0.289 0.000 1.287 414 Y CB 0.533 38.723 38.460 -0.450 0.000 1.146 414 Y HN -0.049 nan 8.280 nan 0.000 0.523 415 I N -2.418 118.064 120.570 -0.147 0.000 3.194 415 I HA -0.068 4.102 4.170 -0.000 0.000 0.271 415 I C 0.158 176.258 176.117 -0.029 0.000 1.150 415 I CA -0.109 61.075 61.300 -0.192 0.000 1.440 415 I CB -0.099 37.674 38.000 -0.379 0.000 1.276 415 I HN -0.118 nan 8.210 nan 0.000 0.457 416 Y N 3.991 124.260 120.300 -0.051 0.000 2.802 416 Y HA -0.165 4.385 4.550 -0.000 0.000 0.333 416 Y C 0.695 176.628 175.900 0.054 0.000 1.244 416 Y CA 0.520 58.640 58.100 0.033 0.000 1.558 416 Y CB -0.194 38.283 38.460 0.029 0.000 1.233 416 Y HN 0.219 nan 8.280 nan 0.000 0.547 417 D N 2.750 122.917 120.400 -0.389 0.000 2.723 417 D HA -0.219 4.421 4.640 -0.000 0.000 0.236 417 D C -1.034 175.260 176.300 -0.010 0.000 1.138 417 D CA 0.687 54.592 54.000 -0.159 0.000 0.676 417 D CB -0.559 40.162 40.800 -0.131 0.000 1.069 417 D HN 0.363 nan 8.370 nan 0.000 0.430 418 K N -0.147 120.262 120.400 0.015 0.000 2.156 418 K HA 0.473 4.793 4.320 -0.000 0.000 0.254 418 K C -0.031 176.640 176.600 0.119 0.000 0.950 418 K CA -0.589 55.732 56.287 0.056 0.000 0.849 418 K CB 1.544 34.060 32.500 0.026 0.000 1.100 418 K HN 0.130 nan 8.250 nan 0.000 0.434 419 C N 4.636 124.040 119.300 0.172 0.000 2.442 419 C HA 0.260 4.720 4.460 -0.000 0.000 0.362 419 C C -1.411 173.781 174.990 0.337 0.000 1.242 419 C CA -1.097 58.079 59.018 0.264 0.000 1.741 419 C CB -0.564 27.333 27.740 0.262 0.000 2.378 419 C HN 0.536 nan 8.230 nan 0.000 0.549 420 P HA 0.471 nan 4.420 nan 0.000 0.279 420 P C -0.964 176.533 177.300 0.330 0.000 1.276 420 P CA -0.222 63.076 63.100 0.330 0.000 0.801 420 P CB 1.138 32.975 31.700 0.228 0.000 1.127 421 A N 0.977 123.951 122.820 0.256 0.000 2.304 421 A HA 0.619 4.939 4.320 -0.000 0.000 0.323 421 A C -0.943 176.675 177.584 0.056 0.000 1.195 421 A CA -0.575 51.502 52.037 0.067 0.000 0.826 421 A CB 0.181 19.125 19.000 -0.093 0.000 1.184 421 A HN 0.545 nan 8.150 nan 0.000 0.496 422 L N 2.373 123.627 121.223 0.050 0.000 2.386 422 L HA 0.867 5.207 4.340 -0.000 0.000 0.271 422 L C -0.268 176.588 176.870 -0.023 0.000 0.993 422 L CA -0.127 54.717 54.840 0.007 0.000 0.819 422 L CB 1.886 43.980 42.059 0.059 0.000 1.294 422 L HN 0.916 nan 8.230 nan 0.000 0.414 423 A N 4.153 126.943 122.820 -0.049 0.000 2.343 423 A HA 0.975 5.295 4.320 -0.000 0.000 0.308 423 A C -1.080 176.493 177.584 -0.019 0.000 1.092 423 A CA 0.019 52.044 52.037 -0.020 0.000 0.751 423 A CB 1.427 20.438 19.000 0.018 0.000 1.203 423 A HN 1.244 nan 8.150 nan 0.000 0.452 424 A N 1.790 124.612 122.820 0.002 0.000 2.398 424 A HA 0.750 5.070 4.320 -0.000 0.000 0.301 424 A C -1.187 176.433 177.584 0.059 0.000 1.041 424 A CA -0.467 51.577 52.037 0.012 0.000 0.711 424 A CB 1.492 20.486 19.000 -0.009 0.000 1.240 424 A HN 1.367 nan 8.150 nan 0.000 0.420 425 V N 1.547 121.521 119.914 0.100 0.000 2.760 425 V HA 0.903 5.024 4.120 -0.000 0.000 0.309 425 V C 0.659 176.822 176.094 0.114 0.000 1.077 425 V CA 0.545 62.916 62.300 0.119 0.000 0.910 425 V CB 1.122 33.033 31.823 0.146 0.000 1.008 425 V HN 2.400 nan 8.190 nan 0.000 0.424 426 G N 5.411 114.264 108.800 0.089 0.000 2.337 426 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.197 426 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.197 426 G C -3.011 171.928 174.900 0.065 0.000 1.238 426 G CA -0.255 44.897 45.100 0.086 0.000 1.119 426 G HN 0.601 nan 8.290 nan 0.000 0.514 427 P HA 0.306 nan 4.420 nan 0.000 0.231 427 P C 0.987 178.320 177.300 0.056 0.000 1.811 427 P CA -0.075 63.057 63.100 0.052 0.000 1.051 427 P CB -0.901 30.830 31.700 0.051 0.000 1.951 428 I N -1.793 118.808 120.570 0.051 0.000 3.812 428 I HA 0.181 4.351 4.170 -0.000 0.000 0.319 428 I C 1.500 177.643 176.117 0.042 0.000 1.353 428 I CA -0.165 61.165 61.300 0.051 0.000 1.170 428 I CB -0.460 37.566 38.000 0.044 0.000 1.057 428 I HN 0.044 nan 8.210 nan 0.000 0.411 429 E N 1.762 121.984 120.200 0.036 0.000 2.118 429 E HA -0.301 4.049 4.350 -0.000 0.000 0.195 429 E C 2.116 178.734 176.600 0.029 0.000 0.992 429 E CA 1.364 57.781 56.400 0.028 0.000 0.804 429 E CB -0.010 29.703 29.700 0.022 0.000 0.741 429 E HN 0.733 nan 8.360 nan 0.000 0.458 430 Q N 0.122 119.943 119.800 0.035 0.000 2.297 430 Q HA -0.055 4.285 4.340 -0.000 0.000 0.204 430 Q C 0.382 176.406 176.000 0.040 0.000 0.962 430 Q CA 0.147 55.968 55.803 0.031 0.000 0.879 430 Q CB 0.125 28.881 28.738 0.030 0.000 0.947 430 Q HN 0.223 nan 8.270 nan 0.000 0.462 431 L N 1.091 122.347 121.223 0.056 0.000 2.305 431 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 431 L C -1.181 175.716 176.870 0.045 0.000 1.085 431 L CA -0.004 54.875 54.840 0.065 0.000 0.813 431 L CB 1.029 43.137 42.059 0.082 0.000 1.157 431 L HN 0.076 nan 8.230 nan 0.000 0.436 432 L N 3.633 124.879 121.223 0.038 0.000 2.775 432 L HA 0.451 4.791 4.340 -0.000 0.000 0.263 432 L C -1.606 175.282 176.870 0.030 0.000 1.017 432 L CA -0.407 54.453 54.840 0.033 0.000 0.891 432 L CB 1.818 43.893 42.059 0.027 0.000 1.482 432 L HN 0.825 nan 8.230 nan 0.000 0.410 433 D N 0.830 121.255 120.400 0.042 0.000 6.013 433 D HA -0.282 4.358 4.640 -0.000 0.000 0.242 433 D C 0.024 176.358 176.300 0.058 0.000 1.609 433 D CA 1.117 55.151 54.000 0.056 0.000 1.473 433 D CB -0.220 40.603 40.800 0.037 0.000 0.711 433 D HN 0.556 nan 8.370 nan 0.000 0.388 434 Y N 4.634 124.936 120.300 0.004 0.000 2.165 434 Y HA -0.202 4.348 4.550 -0.000 0.000 0.286 434 Y C 2.032 177.942 175.900 0.017 0.000 1.155 434 Y CA 2.269 60.373 58.100 0.005 0.000 1.164 434 Y CB -0.132 38.325 38.460 -0.004 0.000 0.978 434 Y HN 0.508 nan 8.280 nan 0.000 0.513 435 N N 0.235 118.997 118.700 0.104 0.000 2.036 435 N HA -0.209 4.531 4.740 -0.000 0.000 0.195 435 N C 1.871 177.358 175.510 -0.038 0.000 1.037 435 N CA 1.582 54.664 53.050 0.053 0.000 0.855 435 N CB -0.296 38.241 38.487 0.084 0.000 1.033 435 N HN 0.330 nan 8.380 nan 0.000 0.423 436 R N 0.977 121.457 120.500 -0.034 0.000 2.081 436 R HA -0.005 4.335 4.340 -0.000 0.000 0.235 436 R C 2.386 178.625 176.300 -0.102 0.000 1.131 436 R CA 0.635 56.708 56.100 -0.044 0.000 0.960 436 R CB -0.980 29.312 30.300 -0.013 0.000 0.856 436 R HN 0.388 nan 8.270 nan 0.000 0.436 437 I N 0.428 120.904 120.570 -0.157 0.000 2.226 437 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 437 I C 2.579 178.545 176.117 -0.252 0.000 1.100 437 I CA 1.082 62.263 61.300 -0.199 0.000 1.374 437 I CB -0.279 37.572 38.000 -0.248 0.000 1.057 437 I HN 0.013 nan 8.210 nan 0.000 0.413 438 R N 1.249 121.535 120.500 -0.356 0.000 2.127 438 R HA -0.116 4.224 4.340 -0.000 0.000 0.238 438 R C 2.133 178.363 176.300 -0.117 0.000 1.134 438 R CA 1.777 57.732 56.100 -0.242 0.000 0.975 438 R CB -0.614 29.577 30.300 -0.181 0.000 0.865 438 R HN 0.212 nan 8.270 nan 0.000 0.447 439 S N -0.940 114.665 115.700 -0.158 0.000 2.453 439 S HA 0.044 4.514 4.470 -0.000 0.000 0.231 439 S C 1.575 175.841 174.600 -0.557 0.000 1.005 439 S CA 0.860 58.851 58.200 -0.348 0.000 0.949 439 S CB 0.073 63.168 63.200 -0.175 0.000 0.774 439 S HN 0.625 nan 8.310 nan 0.000 0.510 440 G N 0.779 109.396 108.800 -0.304 0.000 2.848 440 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.208 440 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.208 440 G C 0.919 175.688 174.900 -0.218 0.000 1.152 440 G CA 0.110 45.054 45.100 -0.260 0.000 0.789 440 G HN 0.331 nan 8.290 nan 0.000 0.531 441 M N 0.073 119.521 119.600 -0.253 0.000 2.494 441 M HA 0.288 4.768 4.480 -0.000 0.000 0.232 441 M C -0.266 175.891 176.300 -0.238 0.000 1.137 441 M CA -0.104 55.127 55.300 -0.116 0.000 1.012 441 M CB -0.965 31.631 32.600 -0.008 0.000 1.567 441 M HN 0.466 nan 8.290 nan 0.000 0.486 442 Y N -4.434 115.732 120.300 -0.224 0.000 2.624 442 Y HA 0.496 5.046 4.550 0.000 0.000 0.334 442 Y C -0.848 175.187 175.900 0.226 0.000 1.155 442 Y CA -2.393 55.508 58.100 -0.332 0.000 1.046 442 Y CB 0.199 38.359 38.460 -0.500 0.000 1.316 442 Y HN 0.239 nan 8.280 nan 0.000 0.457 443 W N 2.568 124.122 121.300 0.423 0.000 3.098 443 W HA -0.102 4.558 4.660 0.000 0.000 0.452 443 W C 0.378 176.978 176.519 0.135 0.000 1.839 443 W CA 0.104 57.626 57.345 0.296 0.000 0.464 443 W CB -0.706 28.903 29.460 0.249 0.000 2.860 443 W HN 1.120 nan 8.180 nan 0.000 0.426 444 I N 0.000 120.624 120.570 0.090 0.000 2.984 444 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 444 I CA 0.000 61.219 61.300 -0.135 0.000 1.566 444 I CB 0.000 37.867 38.000 -0.222 0.000 1.214 444 I HN 0.000 nan 8.210 nan 0.000 0.494