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 2ibp_1_A DATA FIRST_RESID 3 DATA SEQUENCE EQTVQVKTTG KILQSPcGPI IHGLEDVLIK STSISDIDGE KGILWYRGYR DATA SEQUENCE IEELARLSTY EEVSYLILYG RLPTKRELED YINRMKKYRE LHPATVEVIR DATA SEQUENCE NLAKAHPMFA LEAAVAAEGA YDEDNQKLIE ALSVGRYKAE EKELAYRIAE DATA SEQUENCE KLVAKMPTIV AYHYRFSRGL EVVRPRDDLG HAANFLYMMF GREPDPLASR DATA SEQUENCE GIDLYLILHA DHEVPASTFA AHVVASTLSD LYSSVAAAIA ALKGPLHGGA DATA SEQUENCE NEMAVRNYLE IGTPAKAKEI VEAATKPGGP KLMGVGHRVY KAYDPRAKIF DATA SEQUENCE KEFSRDYVAK FGDPQNLFAI ASAIEQEVLS HPYFQQRKLY PNVDFWSGIA DATA SEQUENCE FYYMGIPYEY FTPIFAMSRV VGWVAHVLEY WENNRIFRPR AcYIGPHDLQ DATA SEQUENCE YIPLEQR 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 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.605 176.600 0.008 0.000 1.382 3 E CA 0.000 56.405 56.400 0.009 0.000 0.976 3 E CB 0.000 29.706 29.700 0.010 0.000 0.812 4 Q N 1.347 121.153 119.800 0.010 0.000 2.544 4 Q HA 0.682 4.916 4.340 -0.177 0.000 0.291 4 Q C -1.134 174.872 176.000 0.011 0.000 1.068 4 Q CA -1.032 54.777 55.803 0.009 0.000 0.785 4 Q CB 2.252 30.994 28.738 0.008 0.000 1.481 4 Q HN 0.314 nan 8.270 nan 0.000 0.430 5 T N 0.986 115.546 114.554 0.010 0.000 2.794 5 T HA 0.546 4.790 4.350 -0.177 0.000 0.280 5 T C -0.710 173.996 174.700 0.011 0.000 0.987 5 T CA -0.516 61.591 62.100 0.011 0.000 0.993 5 T CB 1.283 70.156 68.868 0.010 0.000 0.939 5 T HN 0.398 nan 8.240 nan 0.000 0.449 6 V N 3.760 123.682 119.914 0.013 0.000 2.604 6 V HA 0.357 4.371 4.120 -0.177 0.000 0.305 6 V C -0.347 175.754 176.094 0.012 0.000 1.043 6 V CA -1.079 61.229 62.300 0.013 0.000 0.888 6 V CB 1.995 33.828 31.823 0.016 0.000 0.995 6 V HN 0.723 nan 8.190 nan 0.000 0.429 7 Q N 3.115 122.921 119.800 0.009 0.000 2.307 7 Q HA 0.409 4.643 4.340 -0.177 0.000 0.259 7 Q C -0.715 175.290 176.000 0.008 0.000 0.998 7 Q CA -0.086 55.722 55.803 0.008 0.000 0.923 7 Q CB 1.704 30.446 28.738 0.006 0.000 1.196 7 Q HN 0.537 nan 8.270 nan 0.000 0.416 8 V N 3.954 123.872 119.914 0.008 0.000 2.378 8 V HA 0.296 4.309 4.120 -0.177 0.000 0.288 8 V C 0.100 176.195 176.094 0.002 0.000 1.016 8 V CA -0.785 61.519 62.300 0.007 0.000 0.840 8 V CB 1.620 33.449 31.823 0.011 0.000 0.994 8 V HN 0.560 nan 8.190 nan 0.000 0.431 9 K N 2.387 122.786 120.400 -0.001 0.000 2.174 9 K HA 0.705 4.919 4.320 -0.177 0.000 0.275 9 K C -0.175 176.419 176.600 -0.009 0.000 1.015 9 K CA -0.243 56.041 56.287 -0.004 0.000 0.933 9 K CB 1.678 34.175 32.500 -0.005 0.000 1.025 9 K HN 0.712 nan 8.250 nan 0.000 0.463 10 T N -0.378 114.171 114.554 -0.009 0.000 2.942 10 T HA 0.146 4.390 4.350 -0.177 0.000 0.327 10 T C 0.144 174.837 174.700 -0.011 0.000 1.360 10 T CA -0.653 61.440 62.100 -0.013 0.000 1.055 10 T CB 1.301 70.163 68.868 -0.010 0.000 1.261 10 T HN 0.689 nan 8.240 nan 0.000 0.485 11 T N 0.305 114.850 114.554 -0.015 0.000 3.105 11 T HA 0.448 4.692 4.350 -0.177 0.000 0.253 11 T C 1.019 175.713 174.700 -0.010 0.000 1.047 11 T CA 0.290 62.383 62.100 -0.012 0.000 0.944 11 T CB 0.057 68.916 68.868 -0.016 0.000 1.016 11 T HN 0.740 nan 8.240 nan 0.000 0.544 12 G N 0.945 109.741 108.800 -0.007 0.000 2.537 12 G HA2 0.540 4.394 3.960 -0.177 0.000 0.297 12 G HA3 0.540 4.394 3.960 -0.177 0.000 0.297 12 G C -0.785 174.128 174.900 0.022 0.000 1.310 12 G CA -1.105 43.997 45.100 0.005 0.000 1.027 12 G HN 0.368 nan 8.290 nan 0.000 0.505 13 K N -0.401 120.029 120.400 0.051 0.000 2.174 13 K HA 0.390 4.603 4.320 -0.177 0.000 0.275 13 K C -0.566 176.061 176.600 0.045 0.000 1.015 13 K CA 0.023 56.338 56.287 0.048 0.000 0.933 13 K CB 1.632 34.171 32.500 0.064 0.000 1.025 13 K HN 0.226 nan 8.250 nan 0.000 0.463 14 I N 4.210 124.788 120.570 0.012 0.000 2.404 14 I HA 0.291 4.355 4.170 -0.177 0.000 0.293 14 I C -0.554 175.550 176.117 -0.022 0.000 0.992 14 I CA -0.828 60.475 61.300 0.005 0.000 1.149 14 I CB 1.117 39.119 38.000 0.004 0.000 1.315 14 I HN 0.306 nan 8.210 nan 0.000 0.446 15 L N 6.418 127.623 121.223 -0.031 0.000 2.341 15 L HA 0.426 4.659 4.340 -0.177 0.000 0.278 15 L C -0.174 176.679 176.870 -0.029 0.000 1.005 15 L CA -0.753 54.054 54.840 -0.054 0.000 0.818 15 L CB 1.687 43.686 42.059 -0.101 0.000 1.259 15 L HN 0.600 nan 8.230 nan 0.000 0.418 16 Q N 1.908 121.692 119.800 -0.027 0.000 2.260 16 Q HA 0.678 4.912 4.340 -0.177 0.000 0.242 16 Q C -0.444 175.547 176.000 -0.015 0.000 0.932 16 Q CA -0.696 55.098 55.803 -0.014 0.000 0.891 16 Q CB 1.841 30.573 28.738 -0.011 0.000 1.222 16 Q HN 0.647 nan 8.270 nan 0.000 0.453 17 S N -0.607 115.091 115.700 -0.004 0.000 2.596 17 S HA 0.420 4.784 4.470 -0.177 0.000 0.270 17 S C -2.444 172.162 174.600 0.011 0.000 1.155 17 S CA -1.186 57.014 58.200 0.000 0.000 0.827 17 S CB 1.357 64.561 63.200 0.006 0.000 1.130 17 S HN 0.435 nan 8.310 nan 0.000 0.467 18 P HA 0.080 nan 4.420 nan 0.000 0.221 18 P C 0.691 178.011 177.300 0.032 0.000 1.145 18 P CA 0.879 63.996 63.100 0.028 0.000 0.795 18 P CB -0.197 31.529 31.700 0.043 0.000 0.775 19 c N -2.427 116.194 118.600 0.035 0.000 2.926 19 c HA 0.653 5.117 4.570 -0.177 0.000 0.272 19 c C 1.309 175.417 174.090 0.030 0.000 1.249 19 c CA 0.290 56.642 56.329 0.038 0.000 1.691 19 c CB -0.928 41.611 42.510 0.048 0.000 1.983 19 c HN 0.405 nan 8.230 nan 0.000 0.615 20 G N 1.425 110.239 108.800 0.024 0.000 2.331 20 G HA2 0.118 3.971 3.960 -0.177 0.000 0.402 20 G HA3 0.118 3.971 3.960 -0.177 0.000 0.402 20 G C -3.271 171.639 174.900 0.017 0.000 1.275 20 G CA -0.922 44.190 45.100 0.020 0.000 1.003 20 G HN -0.096 nan 8.290 nan 0.000 0.500 21 P HA 0.497 nan 4.420 nan 0.000 0.276 21 P C -0.389 176.924 177.300 0.021 0.000 1.230 21 P CA 0.006 63.114 63.100 0.014 0.000 0.776 21 P CB 0.865 32.573 31.700 0.013 0.000 0.888 22 I N 4.149 124.730 120.570 0.018 0.000 2.330 22 I HA 0.309 4.373 4.170 -0.177 0.000 0.289 22 I C 0.663 176.807 176.117 0.044 0.000 1.001 22 I CA -0.777 60.543 61.300 0.033 0.000 1.193 22 I CB 1.007 39.022 38.000 0.026 0.000 1.345 22 I HN 0.131 nan 8.210 nan 0.000 0.461 23 I N 6.116 126.719 120.570 0.055 0.000 2.294 23 I HA 0.080 4.144 4.170 -0.177 0.000 0.295 23 I C 0.263 176.442 176.117 0.102 0.000 1.098 23 I CA -0.482 60.853 61.300 0.059 0.000 1.277 23 I CB 0.004 38.022 38.000 0.030 0.000 1.434 23 I HN 0.518 nan 8.210 nan 0.000 0.498 24 H N 5.910 124.973 119.070 -0.012 0.000 3.046 24 H HA 0.144 4.596 4.556 -0.174 0.000 0.303 24 H C 1.225 176.540 175.328 -0.022 0.000 1.002 24 H CA 0.672 56.712 56.048 -0.013 0.000 1.460 24 H CB 0.459 30.211 29.762 -0.015 0.000 1.493 24 H HN 0.834 nan 8.280 nan 0.000 0.559 25 G N 4.347 113.043 108.800 -0.173 0.000 2.168 25 G HA2 -0.301 3.553 3.960 -0.177 0.000 0.263 25 G HA3 -0.301 3.553 3.960 -0.177 0.000 0.263 25 G C 0.801 175.638 174.900 -0.105 0.000 0.977 25 G CA 0.166 45.152 45.100 -0.189 0.000 0.659 25 G HN 0.922 nan 8.290 nan 0.000 0.533 26 L N -1.068 120.125 121.223 -0.049 0.000 3.781 26 L HA -0.198 4.036 4.340 -0.177 0.000 0.426 26 L C 0.855 177.658 176.870 -0.112 0.000 1.197 26 L CA 1.080 55.882 54.840 -0.063 0.000 0.907 26 L CB -1.310 40.704 42.059 -0.076 0.000 1.812 26 L HN 0.711 nan 8.230 nan 0.000 0.956 27 E N 1.398 121.546 120.200 -0.087 0.000 2.406 27 E HA -0.024 4.220 4.350 -0.177 0.000 0.258 27 E C 0.781 177.332 176.600 -0.082 0.000 1.043 27 E CA 0.381 56.724 56.400 -0.094 0.000 0.929 27 E CB 0.328 29.987 29.700 -0.068 0.000 0.969 27 E HN 0.291 nan 8.360 nan 0.000 0.462 28 D N 1.525 121.863 120.400 -0.104 0.000 2.946 28 D HA -0.170 4.363 4.640 -0.177 0.000 0.202 28 D C -0.427 175.825 176.300 -0.079 0.000 1.068 28 D CA 0.739 54.688 54.000 -0.085 0.000 1.011 28 D CB -1.398 39.370 40.800 -0.054 0.000 1.105 28 D HN 0.232 nan 8.370 nan 0.000 0.425 29 V N 1.693 121.550 119.914 -0.095 0.000 2.521 29 V HA 0.075 4.088 4.120 -0.177 0.000 0.286 29 V C 1.312 177.358 176.094 -0.080 0.000 1.034 29 V CA -0.204 62.055 62.300 -0.068 0.000 1.045 29 V CB 0.872 32.663 31.823 -0.054 0.000 0.974 29 V HN 0.071 nan 8.190 nan 0.000 0.480 30 L N 6.295 127.498 121.223 -0.033 0.000 2.416 30 L HA 0.253 4.487 4.340 -0.177 0.000 0.272 30 L C 1.148 178.032 176.870 0.024 0.000 1.161 30 L CA 0.230 55.061 54.840 -0.015 0.000 0.845 30 L CB 0.536 42.600 42.059 0.008 0.000 1.119 30 L HN 0.761 nan 8.230 nan 0.000 0.464 31 I N 0.073 120.663 120.570 0.035 0.000 4.288 31 I HA 0.287 4.351 4.170 -0.177 0.000 0.331 31 I C 0.233 176.478 176.117 0.213 0.000 1.322 31 I CA -0.160 61.230 61.300 0.150 0.000 1.149 31 I CB 0.321 38.418 38.000 0.161 0.000 1.112 31 I HN 0.656 nan 8.210 nan 0.000 0.403 32 K N 0.120 120.613 120.400 0.154 0.000 2.809 32 K HA 0.439 4.652 4.320 -0.177 0.000 0.293 32 K C -1.424 175.253 176.600 0.127 0.000 1.061 32 K CA -0.705 55.696 56.287 0.189 0.000 0.837 32 K CB 0.862 33.560 32.500 0.330 0.000 1.524 32 K HN -0.106 nan 8.250 nan 0.000 0.370 33 S N 0.074 115.844 115.700 0.116 0.000 2.578 33 S HA 0.607 4.971 4.470 -0.177 0.000 0.283 33 S C -0.879 173.787 174.600 0.110 0.000 1.195 33 S CA -0.439 57.813 58.200 0.085 0.000 1.050 33 S CB 1.574 64.807 63.200 0.056 0.000 1.012 33 S HN 0.536 nan 8.310 nan 0.000 0.511 34 T N 0.095 114.701 114.554 0.087 0.000 2.900 34 T HA 0.489 4.732 4.350 -0.177 0.000 0.303 34 T C 0.000 174.725 174.700 0.041 0.000 1.142 34 T CA -0.540 61.610 62.100 0.084 0.000 1.007 34 T CB 1.205 70.152 68.868 0.132 0.000 1.156 34 T HN 0.532 nan 8.240 nan 0.000 0.490 35 S N 2.462 118.173 115.700 0.018 0.000 2.749 35 S HA 0.320 4.683 4.470 -0.177 0.000 0.246 35 S C 1.404 176.009 174.600 0.009 0.000 1.023 35 S CA -0.443 57.763 58.200 0.009 0.000 1.012 35 S CB -0.425 62.780 63.200 0.009 0.000 0.942 35 S HN 0.654 nan 8.310 nan 0.000 0.531 36 I N 2.187 122.742 120.570 -0.025 0.000 2.206 36 I HA 0.061 4.125 4.170 -0.177 0.000 0.239 36 I C 1.169 177.331 176.117 0.076 0.000 1.078 36 I CA 0.825 62.090 61.300 -0.060 0.000 1.367 36 I CB -0.119 37.695 38.000 -0.310 0.000 1.078 36 I HN 0.520 nan 8.210 nan 0.000 0.413 37 S N -1.020 114.765 115.700 0.141 0.000 2.607 37 S HA 0.607 4.970 4.470 -0.177 0.000 0.273 37 S C -1.305 173.425 174.600 0.218 0.000 1.148 37 S CA -0.902 57.461 58.200 0.272 0.000 0.833 37 S CB 3.087 66.503 63.200 0.360 0.000 1.130 37 S HN 0.112 nan 8.310 nan 0.000 0.470 38 D N -0.331 120.240 120.400 0.285 0.000 2.753 38 D HA 0.619 5.153 4.640 -0.177 0.000 0.224 38 D C -1.509 175.001 176.300 0.349 0.000 1.213 38 D CA -0.391 53.755 54.000 0.242 0.000 0.833 38 D CB 1.653 42.542 40.800 0.150 0.000 1.607 38 D HN 0.685 nan 8.370 nan 0.000 0.463 39 I N 1.850 122.533 120.570 0.189 0.000 2.465 39 I HA 0.270 4.333 4.170 -0.177 0.000 0.291 39 I C -0.811 175.408 176.117 0.171 0.000 1.014 39 I CA -0.836 60.535 61.300 0.118 0.000 1.093 39 I CB 2.020 39.898 38.000 -0.203 0.000 1.267 39 I HN 0.234 nan 8.210 nan 0.000 0.431 40 D N 5.062 125.612 120.400 0.250 0.000 2.467 40 D HA 0.226 4.760 4.640 -0.177 0.000 0.220 40 D C 1.050 177.415 176.300 0.108 0.000 1.103 40 D CA -0.259 53.864 54.000 0.205 0.000 0.886 40 D CB 1.714 42.697 40.800 0.305 0.000 1.025 40 D HN 0.739 nan 8.370 nan 0.000 0.514 41 G N 3.186 112.006 108.800 0.033 0.000 2.422 41 G HA2 -0.239 3.614 3.960 -0.177 0.000 0.218 41 G HA3 -0.239 3.614 3.960 -0.177 0.000 0.218 41 G C 1.304 176.264 174.900 0.100 0.000 1.140 41 G CA 0.468 45.584 45.100 0.027 0.000 0.775 41 G HN 0.393 nan 8.290 nan 0.000 0.545 42 E N 0.482 120.727 120.200 0.076 0.000 2.072 42 E HA 0.043 4.287 4.350 -0.177 0.000 0.190 42 E C 2.397 179.026 176.600 0.048 0.000 0.982 42 E CA 0.867 57.306 56.400 0.066 0.000 0.803 42 E CB -0.018 29.716 29.700 0.057 0.000 0.755 42 E HN 0.369 nan 8.360 nan 0.000 0.453 43 K N -1.082 119.349 120.400 0.052 0.000 2.379 43 K HA 0.190 4.403 4.320 -0.177 0.000 0.194 43 K C 0.466 177.055 176.600 -0.018 0.000 1.031 43 K CA 0.525 56.821 56.287 0.016 0.000 1.037 43 K CB 0.692 33.210 32.500 0.031 0.000 0.824 43 K HN 0.199 nan 8.250 nan 0.000 0.516 44 G N 2.500 111.327 108.800 0.045 0.000 2.326 44 G HA2 -0.236 3.618 3.960 -0.177 0.000 0.286 44 G HA3 -0.236 3.618 3.960 -0.177 0.000 0.286 44 G C -0.246 174.614 174.900 -0.067 0.000 1.096 44 G CA -0.128 44.994 45.100 0.036 0.000 1.003 44 G HN 0.212 nan 8.290 nan 0.000 0.503 45 I N -0.434 120.096 120.570 -0.067 0.000 2.509 45 I HA 0.678 4.742 4.170 -0.177 0.000 0.293 45 I C -0.257 175.649 176.117 -0.351 0.000 1.020 45 I CA -1.321 59.749 61.300 -0.383 0.000 1.088 45 I CB 1.964 39.530 38.000 -0.723 0.000 1.267 45 I HN 0.134 nan 8.210 nan 0.000 0.430 46 L N 6.338 127.297 121.223 -0.439 0.000 2.385 46 L HA 0.605 4.839 4.340 -0.177 0.000 0.273 46 L C -1.771 174.891 176.870 -0.346 0.000 0.990 46 L CA -0.197 54.529 54.840 -0.191 0.000 0.821 46 L CB 1.701 43.742 42.059 -0.030 0.000 1.279 46 L HN 0.474 nan 8.230 nan 0.000 0.412 47 W N 4.117 125.415 121.300 -0.003 0.000 2.736 47 W HA 0.406 4.958 4.660 -0.179 0.000 0.335 47 W C -1.319 175.295 176.519 0.158 0.000 1.059 47 W CA -0.613 56.743 57.345 0.017 0.000 1.226 47 W CB 1.876 31.362 29.460 0.045 0.000 1.416 47 W HN 0.341 nan 8.180 nan 0.000 0.505 48 Y N 2.438 122.936 120.300 0.330 0.000 2.334 48 Y HA 0.280 4.725 4.550 -0.175 0.000 0.336 48 Y C 0.888 176.949 175.900 0.268 0.000 0.960 48 Y CA -1.928 56.312 58.100 0.234 0.000 1.164 48 Y CB 0.860 39.417 38.460 0.162 0.000 1.155 48 Y HN 0.378 nan 8.280 nan 0.000 0.478 49 R N 1.821 122.521 120.500 0.332 0.000 3.516 49 R HA -0.231 4.002 4.340 -0.177 0.000 0.271 49 R C 1.122 177.543 176.300 0.202 0.000 1.098 49 R CA 0.952 57.194 56.100 0.237 0.000 0.732 49 R CB -2.005 28.448 30.300 0.256 0.000 1.152 49 R HN 1.260 nan 8.270 nan 0.000 0.455 50 G N -2.005 106.874 108.800 0.131 0.000 2.217 50 G HA2 -0.374 3.480 3.960 -0.177 0.000 0.246 50 G HA3 -0.374 3.480 3.960 -0.177 0.000 0.246 50 G C -0.118 174.788 174.900 0.010 0.000 0.990 50 G CA 0.397 45.454 45.100 -0.071 0.000 0.627 50 G HN 0.373 nan 8.290 nan 0.000 0.522 51 Y N 1.681 122.159 120.300 0.298 0.000 2.320 51 Y HA 0.625 5.068 4.550 -0.178 0.000 0.334 51 Y C 1.324 177.343 175.900 0.200 0.000 1.055 51 Y CA -0.895 57.354 58.100 0.249 0.000 1.143 51 Y CB 0.800 39.351 38.460 0.151 0.000 1.193 51 Y HN 0.061 nan 8.280 nan 0.000 0.477 52 R N 2.460 123.078 120.500 0.196 0.000 2.590 52 R HA 0.007 4.241 4.340 -0.177 0.000 0.274 52 R C 1.090 177.302 176.300 -0.147 0.000 1.061 52 R CA -0.185 55.811 56.100 -0.174 0.000 1.081 52 R CB 0.644 30.795 30.300 -0.248 0.000 0.984 52 R HN 0.784 nan 8.270 nan 0.000 0.448 53 I N 2.960 123.351 120.570 -0.299 0.000 2.264 53 I HA -0.255 3.809 4.170 -0.177 0.000 0.248 53 I C 1.443 177.455 176.117 -0.174 0.000 1.111 53 I CA 1.750 62.866 61.300 -0.307 0.000 1.382 53 I CB -0.085 37.680 38.000 -0.390 0.000 1.060 53 I HN 0.603 nan 8.210 nan 0.000 0.418 54 E N 0.442 120.545 120.200 -0.160 0.000 2.085 54 E HA -0.223 4.021 4.350 -0.177 0.000 0.194 54 E C 2.148 178.715 176.600 -0.055 0.000 0.994 54 E CA 1.508 57.846 56.400 -0.102 0.000 0.801 54 E CB -0.272 29.364 29.700 -0.107 0.000 0.743 54 E HN 0.478 nan 8.360 nan 0.000 0.453 55 E N 0.221 120.400 120.200 -0.034 0.000 2.072 55 E HA -0.122 4.121 4.350 -0.177 0.000 0.191 55 E C 2.280 178.884 176.600 0.007 0.000 0.985 55 E CA 0.735 57.140 56.400 0.009 0.000 0.801 55 E CB -0.236 29.504 29.700 0.067 0.000 0.750 55 E HN 0.327 nan 8.360 nan 0.000 0.452 56 L N 0.460 121.682 121.223 -0.001 0.000 2.056 56 L HA -0.096 4.137 4.340 -0.177 0.000 0.207 56 L C 2.566 179.444 176.870 0.013 0.000 1.078 56 L CA 1.069 55.910 54.840 0.001 0.000 0.749 56 L CB -0.567 41.504 42.059 0.020 0.000 0.901 56 L HN 0.047 nan 8.230 nan 0.000 0.433 57 A N 0.090 122.909 122.820 -0.001 0.000 1.933 57 A HA -0.231 3.982 4.320 -0.177 0.000 0.218 57 A C 2.460 180.060 177.584 0.026 0.000 1.175 57 A CA 1.720 53.770 52.037 0.022 0.000 0.628 57 A CB -0.531 18.474 19.000 0.008 0.000 0.814 57 A HN 0.356 nan 8.150 nan 0.000 0.444 58 R N -0.678 119.828 120.500 0.010 0.000 2.073 58 R HA 0.093 4.326 4.340 -0.177 0.000 0.229 58 R C 1.307 177.618 176.300 0.017 0.000 1.120 58 R CA 1.394 57.502 56.100 0.013 0.000 0.967 58 R CB -0.163 30.138 30.300 0.001 0.000 0.862 58 R HN 0.498 nan 8.270 nan 0.000 0.436 59 L N -0.463 120.768 121.223 0.012 0.000 2.731 59 L HA 0.259 4.493 4.340 -0.177 0.000 0.240 59 L C 0.834 177.706 176.870 0.004 0.000 1.120 59 L CA -0.319 54.526 54.840 0.007 0.000 0.913 59 L CB 0.998 43.057 42.059 0.000 0.000 1.213 59 L HN 0.032 nan 8.230 nan 0.000 0.515 60 S N -0.663 115.044 115.700 0.012 0.000 2.801 60 S HA 0.733 5.097 4.470 -0.177 0.000 0.312 60 S C -0.153 174.477 174.600 0.051 0.000 1.112 60 S CA -0.157 58.051 58.200 0.013 0.000 0.943 60 S CB 1.606 64.802 63.200 -0.006 0.000 1.269 60 S HN 0.244 nan 8.310 nan 0.000 0.558 61 T N -1.153 113.440 114.554 0.064 0.000 2.865 61 T HA 0.423 4.667 4.350 -0.177 0.000 0.294 61 T C 0.147 174.936 174.700 0.148 0.000 1.119 61 T CA -0.504 61.664 62.100 0.114 0.000 1.007 61 T CB 0.690 69.622 68.868 0.106 0.000 1.225 61 T HN 0.567 nan 8.240 nan 0.000 0.515 62 Y N 1.043 121.383 120.300 0.068 0.000 2.274 62 Y HA -0.016 4.426 4.550 -0.180 0.000 0.290 62 Y C 2.180 178.101 175.900 0.035 0.000 1.145 62 Y CA 1.889 60.014 58.100 0.042 0.000 1.203 62 Y CB -0.380 38.103 38.460 0.038 0.000 0.984 62 Y HN 0.822 nan 8.280 nan 0.000 0.533 63 E N 0.266 120.511 120.200 0.076 0.000 2.058 63 E HA -0.241 4.003 4.350 -0.177 0.000 0.194 63 E C 2.190 178.846 176.600 0.093 0.000 0.997 63 E CA 1.784 58.244 56.400 0.101 0.000 0.801 63 E CB -0.295 29.510 29.700 0.176 0.000 0.746 63 E HN 0.626 nan 8.360 nan 0.000 0.450 64 E N 0.123 120.340 120.200 0.029 0.000 2.072 64 E HA -0.137 4.107 4.350 -0.177 0.000 0.190 64 E C 1.950 178.517 176.600 -0.055 0.000 0.982 64 E CA 0.926 57.307 56.400 -0.031 0.000 0.803 64 E CB 0.182 29.852 29.700 -0.049 0.000 0.755 64 E HN 0.073 nan 8.360 nan 0.000 0.453 65 V N 1.255 121.127 119.914 -0.071 0.000 2.427 65 V HA -0.257 3.757 4.120 -0.177 0.000 0.248 65 V C 2.546 178.523 176.094 -0.195 0.000 1.051 65 V CA 1.887 64.145 62.300 -0.071 0.000 1.048 65 V CB -0.480 31.361 31.823 0.031 0.000 0.666 65 V HN 0.424 nan 8.190 nan 0.000 0.456 66 S N -0.576 114.888 115.700 -0.393 0.000 2.382 66 S HA -0.291 4.072 4.470 -0.177 0.000 0.228 66 S C 1.994 176.456 174.600 -0.231 0.000 1.027 66 S CA 1.720 59.658 58.200 -0.436 0.000 0.991 66 S CB -0.853 61.940 63.200 -0.679 0.000 0.823 66 S HN 0.637 nan 8.310 nan 0.000 0.469 67 Y N 2.043 122.124 120.300 -0.364 0.000 2.097 67 Y HA -0.119 4.326 4.550 -0.175 0.000 0.282 67 Y C 2.325 178.132 175.900 -0.155 0.000 1.152 67 Y CA 1.673 59.503 58.100 -0.449 0.000 1.136 67 Y CB -0.552 37.525 38.460 -0.639 0.000 0.975 67 Y HN 0.317 nan 8.280 nan 0.000 0.498 68 L N 0.602 121.891 121.223 0.110 0.000 2.013 68 L HA -0.261 3.972 4.340 -0.177 0.000 0.212 68 L C 2.168 179.032 176.870 -0.010 0.000 1.073 68 L CA 2.001 56.895 54.840 0.090 0.000 0.753 68 L CB -0.904 41.178 42.059 0.037 0.000 0.890 68 L HN 0.403 nan 8.230 nan 0.000 0.432 69 I N -1.321 119.183 120.570 -0.111 0.000 2.226 69 I HA -0.271 3.793 4.170 -0.177 0.000 0.245 69 I C 2.338 178.335 176.117 -0.201 0.000 1.100 69 I CA 1.189 62.384 61.300 -0.175 0.000 1.374 69 I CB -0.353 37.474 38.000 -0.287 0.000 1.057 69 I HN 0.353 nan 8.210 nan 0.000 0.413 70 L N 0.011 121.064 121.223 -0.284 0.000 2.027 70 L HA -0.194 4.040 4.340 -0.177 0.000 0.206 70 L C 2.079 178.701 176.870 -0.414 0.000 1.074 70 L CA 2.082 56.673 54.840 -0.415 0.000 0.745 70 L CB -0.688 41.014 42.059 -0.594 0.000 0.898 70 L HN 0.159 nan 8.230 nan 0.000 0.433 71 Y N -0.527 119.643 120.300 -0.217 0.000 2.510 71 Y HA 0.382 4.828 4.550 -0.173 0.000 0.273 71 Y C 1.922 177.777 175.900 -0.076 0.000 1.119 71 Y CA 0.372 58.345 58.100 -0.212 0.000 1.286 71 Y CB -0.049 38.068 38.460 -0.572 0.000 1.061 71 Y HN 0.282 nan 8.280 nan 0.000 0.542 72 G N 0.806 109.651 108.800 0.075 0.000 2.175 72 G HA2 -0.257 3.596 3.960 -0.177 0.000 0.244 72 G HA3 -0.257 3.596 3.960 -0.177 0.000 0.244 72 G C 0.254 175.246 174.900 0.153 0.000 0.982 72 G CA 0.179 45.337 45.100 0.097 0.000 0.641 72 G HN 0.493 nan 8.290 nan 0.000 0.527 73 R N -1.185 119.432 120.500 0.195 0.000 2.752 73 R HA 0.747 4.980 4.340 -0.177 0.000 0.271 73 R C -0.574 175.855 176.300 0.215 0.000 1.026 73 R CA -1.276 54.954 56.100 0.217 0.000 0.901 73 R CB 0.752 31.156 30.300 0.174 0.000 1.243 73 R HN 0.144 nan 8.270 nan 0.000 0.463 74 L N 2.211 123.495 121.223 0.103 0.000 2.426 74 L HA 0.366 4.600 4.340 -0.177 0.000 0.271 74 L C -1.752 175.048 176.870 -0.117 0.000 1.169 74 L CA -1.846 52.968 54.840 -0.042 0.000 0.836 74 L CB 0.576 42.556 42.059 -0.132 0.000 1.112 74 L HN 0.492 nan 8.230 nan 0.000 0.465 75 P HA 0.130 nan 4.420 nan 0.000 0.277 75 P C -0.463 176.628 177.300 -0.348 0.000 1.240 75 P CA -0.491 62.196 63.100 -0.689 0.000 0.798 75 P CB 0.897 31.787 31.700 -1.349 0.000 0.979 76 T N -1.564 112.834 114.554 -0.260 0.000 2.766 76 T HA 0.114 4.358 4.350 -0.177 0.000 0.295 76 T C 1.363 175.964 174.700 -0.165 0.000 1.024 76 T CA -0.457 61.548 62.100 -0.158 0.000 1.018 76 T CB 0.735 69.540 68.868 -0.105 0.000 1.002 76 T HN 0.441 nan 8.240 nan 0.000 0.532 77 K N 0.254 120.591 120.400 -0.107 0.000 2.044 77 K HA -0.234 3.980 4.320 -0.177 0.000 0.210 77 K C 2.530 179.082 176.600 -0.080 0.000 1.049 77 K CA 1.665 57.901 56.287 -0.085 0.000 0.927 77 K CB -0.205 32.262 32.500 -0.054 0.000 0.713 77 K HN 0.686 nan 8.250 nan 0.000 0.443 78 R N 0.770 121.227 120.500 -0.071 0.000 2.081 78 R HA -0.136 4.098 4.340 -0.177 0.000 0.235 78 R C 1.952 178.216 176.300 -0.060 0.000 1.131 78 R CA 1.970 58.039 56.100 -0.052 0.000 0.960 78 R CB -0.048 30.228 30.300 -0.040 0.000 0.856 78 R HN 0.323 nan 8.270 nan 0.000 0.436 79 E N 0.117 120.251 120.200 -0.110 0.000 2.077 79 E HA -0.217 4.027 4.350 -0.177 0.000 0.193 79 E C 1.887 178.398 176.600 -0.149 0.000 0.989 79 E CA 1.231 57.549 56.400 -0.138 0.000 0.800 79 E CB -0.093 29.448 29.700 -0.265 0.000 0.746 79 E HN 0.209 nan 8.360 nan 0.000 0.452 80 L N 1.513 122.603 121.223 -0.221 0.000 2.027 80 L HA -0.149 4.085 4.340 -0.177 0.000 0.206 80 L C 1.855 178.745 176.870 0.033 0.000 1.074 80 L CA 1.780 56.539 54.840 -0.134 0.000 0.745 80 L CB -0.237 41.720 42.059 -0.170 0.000 0.898 80 L HN 0.025 nan 8.230 nan 0.000 0.433 81 E N -0.451 119.748 120.200 -0.001 0.000 2.058 81 E HA -0.245 3.999 4.350 -0.177 0.000 0.194 81 E C 1.784 178.409 176.600 0.040 0.000 0.997 81 E CA 1.539 57.950 56.400 0.018 0.000 0.801 81 E CB -0.167 29.532 29.700 -0.002 0.000 0.746 81 E HN 0.542 nan 8.360 nan 0.000 0.450 82 D N -0.146 120.282 120.400 0.047 0.000 2.117 82 D HA -0.173 4.361 4.640 -0.177 0.000 0.197 82 D C 1.727 178.094 176.300 0.111 0.000 0.987 82 D CA 0.909 54.945 54.000 0.060 0.000 0.829 82 D CB -0.428 40.405 40.800 0.056 0.000 0.961 82 D HN 0.204 nan 8.370 nan 0.000 0.460 83 Y N 1.410 121.739 120.300 0.048 0.000 2.145 83 Y HA -0.165 4.278 4.550 -0.179 0.000 0.286 83 Y C 2.228 178.170 175.900 0.070 0.000 1.145 83 Y CA 1.299 59.471 58.100 0.119 0.000 1.148 83 Y CB -0.412 38.196 38.460 0.247 0.000 0.981 83 Y HN -0.105 nan 8.280 nan 0.000 0.507 84 I N 0.393 121.015 120.570 0.086 0.000 2.208 84 I HA -0.382 3.682 4.170 -0.177 0.000 0.245 84 I C 1.959 178.029 176.117 -0.079 0.000 1.097 84 I CA 1.543 62.830 61.300 -0.023 0.000 1.363 84 I CB -0.507 37.528 38.000 0.059 0.000 1.051 84 I HN 0.331 nan 8.210 nan 0.000 0.413 85 N N 0.794 119.461 118.700 -0.055 0.000 2.188 85 N HA -0.122 4.511 4.740 -0.177 0.000 0.184 85 N C 1.901 177.302 175.510 -0.181 0.000 1.018 85 N CA 1.125 54.125 53.050 -0.083 0.000 0.858 85 N CB -0.225 38.232 38.487 -0.049 0.000 0.989 85 N HN 0.351 nan 8.380 nan 0.000 0.426 86 R N 0.064 120.420 120.500 -0.241 0.000 2.075 86 R HA 0.050 4.284 4.340 -0.177 0.000 0.232 86 R C 2.096 177.959 176.300 -0.729 0.000 1.126 86 R CA 0.934 56.724 56.100 -0.517 0.000 0.963 86 R CB -0.157 29.939 30.300 -0.340 0.000 0.858 86 R HN 0.204 nan 8.270 nan 0.000 0.435 87 M N 0.916 120.274 119.600 -0.403 0.000 2.117 87 M HA -0.158 4.216 4.480 -0.177 0.000 0.262 87 M C 1.954 178.208 176.300 -0.077 0.000 1.065 87 M CA 1.703 56.888 55.300 -0.191 0.000 1.114 87 M CB -0.712 31.735 32.600 -0.255 0.000 1.361 87 M HN 0.065 nan 8.290 nan 0.000 0.408 88 K N 0.248 120.591 120.400 -0.095 0.000 2.063 88 K HA -0.181 4.033 4.320 -0.177 0.000 0.208 88 K C 2.125 178.707 176.600 -0.031 0.000 1.048 88 K CA 1.313 57.584 56.287 -0.025 0.000 0.928 88 K CB -0.210 32.276 32.500 -0.023 0.000 0.713 88 K HN 0.262 nan 8.250 nan 0.000 0.442 89 K N 0.137 120.459 120.400 -0.131 0.000 2.147 89 K HA -0.154 4.060 4.320 -0.177 0.000 0.205 89 K C 1.524 178.153 176.600 0.049 0.000 1.049 89 K CA 1.314 57.545 56.287 -0.093 0.000 0.936 89 K CB 0.030 32.406 32.500 -0.208 0.000 0.722 89 K HN 0.113 nan 8.250 nan 0.000 0.446 90 Y N 0.732 121.065 120.300 0.055 0.000 2.544 90 Y HA 0.072 4.517 4.550 -0.174 0.000 0.286 90 Y C 1.918 177.863 175.900 0.075 0.000 1.141 90 Y CA 0.197 58.340 58.100 0.072 0.000 1.299 90 Y CB -0.184 38.316 38.460 0.066 0.000 1.030 90 Y HN 0.023 nan 8.280 nan 0.000 0.543 91 R N 0.365 120.985 120.500 0.200 0.000 2.105 91 R HA -0.153 4.080 4.340 -0.177 0.000 0.239 91 R C 0.893 177.249 176.300 0.093 0.000 1.135 91 R CA 1.170 57.347 56.100 0.129 0.000 0.967 91 R CB -0.241 30.111 30.300 0.088 0.000 0.861 91 R HN 0.144 nan 8.270 nan 0.000 0.442 92 E N 0.952 121.224 120.200 0.120 0.000 2.383 92 E HA 0.102 4.346 4.350 -0.177 0.000 0.264 92 E C -0.700 175.982 176.600 0.138 0.000 1.050 92 E CA 0.109 56.583 56.400 0.123 0.000 0.896 92 E CB 0.570 30.354 29.700 0.140 0.000 0.982 92 E HN 0.055 nan 8.360 nan 0.000 0.424 93 L N 3.090 124.402 121.223 0.148 0.000 2.375 93 L HA 0.299 4.533 4.340 -0.177 0.000 0.268 93 L C 0.792 177.798 176.870 0.226 0.000 1.058 93 L CA -1.012 53.940 54.840 0.188 0.000 0.803 93 L CB 0.957 43.124 42.059 0.181 0.000 1.212 93 L HN 0.584 nan 8.230 nan 0.000 0.451 94 H N 2.390 121.549 119.070 0.149 0.000 2.815 94 H HA 0.049 4.500 4.556 -0.175 0.000 0.350 94 H C -1.920 173.490 175.328 0.136 0.000 1.080 94 H CA -1.204 54.921 56.048 0.129 0.000 1.433 94 H CB 1.765 31.608 29.762 0.135 0.000 1.432 94 H HN 0.303 nan 8.280 nan 0.000 0.592 95 P HA -0.160 nan 4.420 nan 0.000 0.216 95 P C 1.079 178.521 177.300 0.238 0.000 1.150 95 P CA 2.158 65.300 63.100 0.071 0.000 0.843 95 P CB 0.016 31.669 31.700 -0.078 0.000 0.787 96 A N -1.048 122.060 122.820 0.480 0.000 1.933 96 A HA -0.176 4.038 4.320 -0.177 0.000 0.218 96 A C 2.212 179.963 177.584 0.279 0.000 1.175 96 A CA 2.313 54.559 52.037 0.349 0.000 0.628 96 A CB -1.819 17.407 19.000 0.377 0.000 0.814 96 A HN 0.169 nan 8.150 nan 0.000 0.444 97 T N -0.261 114.481 114.554 0.314 0.000 2.746 97 T HA -0.114 4.130 4.350 -0.177 0.000 0.267 97 T C 1.866 176.728 174.700 0.270 0.000 1.039 97 T CA 1.574 63.823 62.100 0.248 0.000 1.142 97 T CB -0.441 68.575 68.868 0.246 0.000 0.866 97 T HN 0.167 nan 8.240 nan 0.000 0.444 98 V N 1.751 121.851 119.914 0.309 0.000 2.407 98 V HA -0.129 3.884 4.120 -0.177 0.000 0.248 98 V C 2.662 178.910 176.094 0.256 0.000 1.055 98 V CA 1.476 64.001 62.300 0.375 0.000 1.049 98 V CB -0.520 31.520 31.823 0.362 0.000 0.662 98 V HN 0.406 nan 8.190 nan 0.000 0.455 99 E N 0.052 120.349 120.200 0.162 0.000 2.106 99 E HA -0.128 4.116 4.350 -0.177 0.000 0.192 99 E C 2.345 178.979 176.600 0.057 0.000 0.984 99 E CA 1.026 57.463 56.400 0.062 0.000 0.806 99 E CB -0.516 29.219 29.700 0.059 0.000 0.750 99 E HN 0.479 nan 8.360 nan 0.000 0.458 100 V N 1.762 121.745 119.914 0.116 0.000 2.287 100 V HA -0.255 3.758 4.120 -0.177 0.000 0.248 100 V C 2.434 178.608 176.094 0.134 0.000 1.053 100 V CA 1.554 63.920 62.300 0.110 0.000 1.027 100 V CB -0.484 31.413 31.823 0.122 0.000 0.646 100 V HN 0.196 nan 8.190 nan 0.000 0.447 101 I N -0.502 120.195 120.570 0.212 0.000 2.208 101 I HA -0.280 3.783 4.170 -0.177 0.000 0.245 101 I C 2.740 178.969 176.117 0.187 0.000 1.097 101 I CA 1.826 63.316 61.300 0.316 0.000 1.363 101 I CB -0.472 37.821 38.000 0.489 0.000 1.051 101 I HN 0.211 nan 8.210 nan 0.000 0.413 102 R N 1.069 121.513 120.500 -0.094 0.000 2.081 102 R HA -0.172 4.061 4.340 -0.177 0.000 0.235 102 R C 2.078 178.223 176.300 -0.258 0.000 1.131 102 R CA 1.580 57.324 56.100 -0.592 0.000 0.960 102 R CB -0.183 29.602 30.300 -0.859 0.000 0.856 102 R HN 0.394 nan 8.270 nan 0.000 0.436 103 N N 0.470 119.103 118.700 -0.112 0.000 2.364 103 N HA -0.128 4.506 4.740 -0.177 0.000 0.183 103 N C 0.988 176.498 175.510 -0.000 0.000 1.022 103 N CA 0.950 53.968 53.050 -0.054 0.000 0.883 103 N CB 0.120 38.594 38.487 -0.022 0.000 0.965 103 N HN 0.312 nan 8.380 nan 0.000 0.438 104 L N 0.196 121.460 121.223 0.069 0.000 2.872 104 L HA 0.294 4.528 4.340 -0.177 0.000 0.245 104 L C 1.772 178.796 176.870 0.257 0.000 1.211 104 L CA -0.295 54.638 54.840 0.155 0.000 1.013 104 L CB 0.127 42.305 42.059 0.199 0.000 1.326 104 L HN -0.041 nan 8.230 nan 0.000 0.525 105 A N 0.575 123.445 122.820 0.084 0.000 1.972 105 A HA -0.166 4.048 4.320 -0.177 0.000 0.219 105 A C 2.131 179.710 177.584 -0.008 0.000 1.169 105 A CA 1.438 53.439 52.037 -0.061 0.000 0.635 105 A CB -0.119 18.820 19.000 -0.103 0.000 0.810 105 A HN 0.364 nan 8.150 nan 0.000 0.446 106 K N -0.664 119.771 120.400 0.058 0.000 2.404 106 K HA 0.375 4.589 4.320 -0.177 0.000 0.194 106 K C 0.542 177.222 176.600 0.133 0.000 1.023 106 K CA 0.218 56.547 56.287 0.070 0.000 1.094 106 K CB 0.177 32.694 32.500 0.029 0.000 0.841 106 K HN 0.469 nan 8.250 nan 0.000 0.523 107 A N 0.708 123.657 122.820 0.216 0.000 2.256 107 A HA 0.194 4.408 4.320 -0.177 0.000 0.318 107 A C -0.515 177.264 177.584 0.326 0.000 1.103 107 A CA -0.607 51.570 52.037 0.232 0.000 0.860 107 A CB 0.244 19.348 19.000 0.174 0.000 1.182 107 A HN 0.263 nan 8.150 nan 0.000 0.501 108 H N 1.072 120.292 119.070 0.250 0.000 2.928 108 H HA 0.069 4.518 4.556 -0.178 0.000 0.338 108 H C -1.551 173.767 175.328 -0.016 0.000 1.047 108 H CA -0.882 55.257 56.048 0.152 0.000 1.435 108 H CB 1.179 31.043 29.762 0.171 0.000 1.428 108 H HN 0.270 nan 8.280 nan 0.000 0.590 109 P HA -0.181 nan 4.420 nan 0.000 0.218 109 P C 1.708 178.843 177.300 -0.275 0.000 1.148 109 P CA 1.069 63.738 63.100 -0.718 0.000 0.822 109 P CB 0.199 31.390 31.700 -0.848 0.000 0.784 110 M N -2.157 117.464 119.600 0.036 0.000 2.213 110 M HA -0.075 4.298 4.480 -0.177 0.000 0.263 110 M C 2.001 178.258 176.300 -0.072 0.000 1.062 110 M CA 1.352 56.642 55.300 -0.015 0.000 1.105 110 M CB -1.570 30.993 32.600 -0.062 0.000 1.385 110 M HN -0.090 nan 8.290 nan 0.000 0.417 111 F N 0.618 120.596 119.950 0.047 0.000 2.146 111 F HA -0.076 4.347 4.527 -0.174 0.000 0.298 111 F C 2.633 178.436 175.800 0.005 0.000 1.096 111 F CA 1.365 59.375 58.000 0.017 0.000 1.275 111 F CB -1.105 37.914 39.000 0.033 0.000 1.008 111 F HN 0.156 nan 8.300 nan 0.000 0.480 112 A N -0.133 122.774 122.820 0.146 0.000 1.902 112 A HA -0.141 4.073 4.320 -0.177 0.000 0.217 112 A C 2.109 179.747 177.584 0.090 0.000 1.181 112 A CA 1.457 53.550 52.037 0.093 0.000 0.623 112 A CB -1.021 17.945 19.000 -0.056 0.000 0.818 112 A HN 0.267 nan 8.150 nan 0.000 0.443 113 L N -0.061 121.186 121.223 0.040 0.000 2.017 113 L HA -0.191 4.042 4.340 -0.177 0.000 0.208 113 L C 2.472 179.388 176.870 0.077 0.000 1.073 113 L CA 2.195 57.075 54.840 0.067 0.000 0.745 113 L CB -0.775 41.315 42.059 0.051 0.000 0.894 113 L HN 0.480 nan 8.230 nan 0.000 0.432 114 E N -0.809 119.427 120.200 0.059 0.000 2.038 114 E HA -0.274 3.969 4.350 -0.177 0.000 0.195 114 E C 2.223 178.867 176.600 0.073 0.000 1.000 114 E CA 1.341 57.771 56.400 0.050 0.000 0.803 114 E CB -0.308 29.419 29.700 0.045 0.000 0.750 114 E HN 0.533 nan 8.360 nan 0.000 0.448 115 A N 1.280 124.159 122.820 0.099 0.000 1.898 115 A HA -0.049 4.165 4.320 -0.177 0.000 0.216 115 A C 2.362 180.000 177.584 0.089 0.000 1.181 115 A CA 1.571 53.661 52.037 0.089 0.000 0.620 115 A CB -0.547 18.515 19.000 0.102 0.000 0.819 115 A HN 0.291 nan 8.150 nan 0.000 0.442 116 A N -0.581 122.309 122.820 0.116 0.000 1.930 116 A HA 0.030 4.244 4.320 -0.177 0.000 0.217 116 A C 2.205 179.866 177.584 0.127 0.000 1.175 116 A CA 1.698 53.815 52.037 0.133 0.000 0.627 116 A CB -0.819 18.280 19.000 0.165 0.000 0.815 116 A HN 0.355 nan 8.150 nan 0.000 0.443 117 V N -0.190 119.803 119.914 0.133 0.000 2.358 117 V HA -0.225 3.788 4.120 -0.177 0.000 0.246 117 V C 3.049 179.240 176.094 0.162 0.000 1.047 117 V CA 1.859 64.272 62.300 0.188 0.000 1.035 117 V CB -1.152 30.768 31.823 0.161 0.000 0.658 117 V HN 0.610 nan 8.190 nan 0.000 0.452 118 A N 0.043 122.908 122.820 0.076 0.000 1.877 118 A HA -0.126 4.087 4.320 -0.177 0.000 0.216 118 A C 2.438 179.972 177.584 -0.083 0.000 1.186 118 A CA 2.118 54.158 52.037 0.005 0.000 0.620 118 A CB -0.829 18.169 19.000 -0.003 0.000 0.822 118 A HN 0.563 nan 8.150 nan 0.000 0.443 119 A N -0.338 122.456 122.820 -0.044 0.000 1.902 119 A HA -0.179 4.035 4.320 -0.177 0.000 0.217 119 A C 1.981 179.482 177.584 -0.139 0.000 1.181 119 A CA 2.195 54.184 52.037 -0.080 0.000 0.623 119 A CB -0.520 18.496 19.000 0.027 0.000 0.818 119 A HN 0.556 nan 8.150 nan 0.000 0.443 120 E N -0.099 120.053 120.200 -0.080 0.000 2.110 120 E HA -0.052 4.192 4.350 -0.177 0.000 0.193 120 E C 1.923 178.175 176.600 -0.579 0.000 0.988 120 E CA 1.434 57.755 56.400 -0.131 0.000 0.804 120 E CB -0.685 29.073 29.700 0.098 0.000 0.745 120 E HN 0.428 nan 8.360 nan 0.000 0.458 121 G N -0.136 108.110 108.800 -0.923 0.000 2.471 121 G HA2 -0.163 3.691 3.960 -0.177 0.000 0.219 121 G HA3 -0.163 3.691 3.960 -0.177 0.000 0.219 121 G C 1.612 176.139 174.900 -0.621 0.000 1.125 121 G CA 0.685 44.953 45.100 -1.386 0.000 0.775 121 G HN 0.412 nan 8.290 nan 0.000 0.548 122 A N -0.116 122.405 122.820 -0.499 0.000 1.969 122 A HA 0.102 4.316 4.320 -0.177 0.000 0.218 122 A C 1.823 179.036 177.584 -0.618 0.000 1.169 122 A CA 1.077 52.782 52.037 -0.552 0.000 0.635 122 A CB -0.308 18.272 19.000 -0.701 0.000 0.810 122 A HN 0.396 nan 8.150 nan 0.000 0.445 123 Y N -0.559 119.562 120.300 -0.297 0.000 2.531 123 Y HA 0.215 4.662 4.550 -0.172 0.000 0.249 123 Y C 0.286 176.087 175.900 -0.166 0.000 1.168 123 Y CA -1.449 56.487 58.100 -0.274 0.000 1.226 123 Y CB 0.295 38.417 38.460 -0.564 0.000 1.177 123 Y HN 0.211 nan 8.280 nan 0.000 0.527 124 D N 1.714 122.060 120.400 -0.090 0.000 2.346 124 D HA -0.024 4.509 4.640 -0.177 0.000 0.260 124 D C 0.715 177.033 176.300 0.029 0.000 1.252 124 D CA 0.460 54.444 54.000 -0.026 0.000 0.895 124 D CB 0.913 41.641 40.800 -0.121 0.000 1.097 124 D HN 0.450 nan 8.370 nan 0.000 0.489 125 E N 2.516 122.763 120.200 0.078 0.000 2.110 125 E HA -0.177 4.067 4.350 -0.177 0.000 0.193 125 E C 0.986 177.633 176.600 0.079 0.000 0.988 125 E CA 0.880 57.327 56.400 0.079 0.000 0.804 125 E CB 0.280 30.034 29.700 0.090 0.000 0.745 125 E HN 0.538 nan 8.360 nan 0.000 0.458 126 D N 0.560 121.015 120.400 0.093 0.000 2.097 126 D HA -0.155 4.379 4.640 -0.177 0.000 0.195 126 D C 1.763 178.132 176.300 0.115 0.000 0.989 126 D CA 0.948 55.011 54.000 0.105 0.000 0.827 126 D CB -0.407 40.460 40.800 0.112 0.000 0.966 126 D HN 0.047 nan 8.370 nan 0.000 0.456 127 N N 0.384 119.160 118.700 0.126 0.000 2.069 127 N HA -0.164 4.470 4.740 -0.177 0.000 0.191 127 N C 1.665 177.224 175.510 0.083 0.000 1.031 127 N CA 1.185 54.318 53.050 0.138 0.000 0.852 127 N CB -0.031 38.527 38.487 0.119 0.000 1.018 127 N HN 0.022 nan 8.380 nan 0.000 0.423 128 Q N 0.650 120.477 119.800 0.045 0.000 2.096 128 Q HA -0.176 4.057 4.340 -0.177 0.000 0.204 128 Q C 1.965 177.993 176.000 0.046 0.000 0.982 128 Q CA 1.323 57.145 55.803 0.032 0.000 0.850 128 Q CB -0.521 28.233 28.738 0.027 0.000 0.901 128 Q HN 0.516 nan 8.270 nan 0.000 0.422 129 K N 0.187 120.623 120.400 0.060 0.000 2.057 129 K HA -0.132 4.081 4.320 -0.177 0.000 0.207 129 K C 2.035 178.675 176.600 0.067 0.000 1.049 129 K CA 0.674 56.998 56.287 0.061 0.000 0.931 129 K CB -0.096 32.445 32.500 0.068 0.000 0.714 129 K HN 0.092 nan 8.250 nan 0.000 0.440 130 L N 1.469 122.745 121.223 0.089 0.000 2.056 130 L HA -0.065 4.169 4.340 -0.177 0.000 0.207 130 L C 1.864 178.772 176.870 0.063 0.000 1.078 130 L CA 1.424 56.326 54.840 0.103 0.000 0.749 130 L CB -0.264 41.892 42.059 0.162 0.000 0.901 130 L HN 0.216 nan 8.230 nan 0.000 0.433 131 I N -0.489 120.116 120.570 0.058 0.000 2.208 131 I HA -0.269 3.795 4.170 -0.177 0.000 0.245 131 I C 2.572 178.696 176.117 0.012 0.000 1.097 131 I CA 1.459 62.776 61.300 0.030 0.000 1.363 131 I CB -0.462 37.555 38.000 0.029 0.000 1.051 131 I HN 0.385 nan 8.210 nan 0.000 0.413 132 E N 1.464 121.677 120.200 0.020 0.000 2.077 132 E HA -0.242 4.002 4.350 -0.177 0.000 0.193 132 E C 2.220 178.825 176.600 0.009 0.000 0.989 132 E CA 1.700 58.108 56.400 0.014 0.000 0.800 132 E CB -0.023 29.689 29.700 0.020 0.000 0.746 132 E HN 0.466 nan 8.360 nan 0.000 0.452 133 A N 1.279 124.109 122.820 0.018 0.000 1.877 133 A HA -0.128 4.085 4.320 -0.177 0.000 0.216 133 A C 2.479 180.058 177.584 -0.008 0.000 1.186 133 A CA 1.326 53.373 52.037 0.016 0.000 0.620 133 A CB -0.769 18.256 19.000 0.041 0.000 0.822 133 A HN 0.313 nan 8.150 nan 0.000 0.443 134 L N 0.718 121.919 121.223 -0.036 0.000 2.201 134 L HA -0.149 4.084 4.340 -0.177 0.000 0.212 134 L C 2.876 179.700 176.870 -0.076 0.000 1.105 134 L CA 1.300 56.078 54.840 -0.103 0.000 0.775 134 L CB -0.477 41.462 42.059 -0.200 0.000 0.913 134 L HN 0.632 nan 8.230 nan 0.000 0.440 135 S N -0.025 115.650 115.700 -0.042 0.000 2.419 135 S HA -0.110 4.254 4.470 -0.177 0.000 0.233 135 S C 1.495 176.079 174.600 -0.027 0.000 1.016 135 S CA 1.037 59.219 58.200 -0.030 0.000 0.974 135 S CB -0.506 62.685 63.200 -0.016 0.000 0.786 135 S HN 0.355 nan 8.310 nan 0.000 0.492 136 V N -2.709 117.191 119.914 -0.024 0.000 3.271 136 V HA 0.728 4.742 4.120 -0.177 0.000 0.327 136 V C 1.226 177.307 176.094 -0.023 0.000 1.389 136 V CA -0.121 62.168 62.300 -0.018 0.000 1.156 136 V CB -0.852 30.966 31.823 -0.009 0.000 1.103 136 V HN 0.733 nan 8.190 nan 0.000 0.453 137 G N 1.215 109.992 108.800 -0.038 0.000 2.160 137 G HA2 -0.333 3.521 3.960 -0.177 0.000 0.251 137 G HA3 -0.333 3.521 3.960 -0.177 0.000 0.251 137 G C 0.294 175.180 174.900 -0.022 0.000 1.008 137 G CA 0.592 45.664 45.100 -0.046 0.000 0.724 137 G HN 0.849 nan 8.290 nan 0.000 0.514 138 R N -0.556 119.941 120.500 -0.005 0.000 2.207 138 R HA 0.589 4.822 4.340 -0.177 0.000 0.334 138 R C -1.105 175.249 176.300 0.090 0.000 1.013 138 R CA -0.914 55.201 56.100 0.026 0.000 0.858 138 R CB 0.387 30.697 30.300 0.016 0.000 1.094 138 R HN 0.277 nan 8.270 nan 0.000 0.457 139 Y N 5.605 125.859 120.300 -0.077 0.000 2.563 139 Y HA 0.329 4.776 4.550 -0.172 0.000 0.351 139 Y C -1.279 174.605 175.900 -0.025 0.000 1.087 139 Y CA -0.706 57.348 58.100 -0.076 0.000 1.272 139 Y CB 0.384 38.752 38.460 -0.153 0.000 1.095 139 Y HN 0.507 nan 8.280 nan 0.000 0.620 140 K N 1.102 121.383 120.400 -0.198 0.000 2.270 140 K HA 0.681 4.894 4.320 -0.177 0.000 0.248 140 K C 1.097 177.562 176.600 -0.225 0.000 1.076 140 K CA -0.074 56.106 56.287 -0.177 0.000 0.957 140 K CB 0.435 32.891 32.500 -0.074 0.000 1.400 140 K HN 0.387 nan 8.250 nan 0.000 0.573 141 A N 1.191 123.935 122.820 -0.126 0.000 1.873 141 A HA -0.236 3.978 4.320 -0.177 0.000 0.218 141 A C 1.950 179.489 177.584 -0.074 0.000 1.193 141 A CA 2.219 54.198 52.037 -0.096 0.000 0.629 141 A CB -0.676 18.292 19.000 -0.053 0.000 0.826 141 A HN 0.735 nan 8.150 nan 0.000 0.447 142 E N -0.798 119.373 120.200 -0.048 0.000 2.085 142 E HA -0.225 4.018 4.350 -0.177 0.000 0.194 142 E C 2.080 178.681 176.600 0.001 0.000 0.994 142 E CA 1.510 57.904 56.400 -0.010 0.000 0.801 142 E CB -0.165 29.537 29.700 0.003 0.000 0.743 142 E HN 0.683 nan 8.360 nan 0.000 0.453 143 E N 0.835 121.007 120.200 -0.048 0.000 2.072 143 E HA -0.119 4.124 4.350 -0.177 0.000 0.191 143 E C 1.814 178.414 176.600 0.001 0.000 0.985 143 E CA 0.942 57.338 56.400 -0.005 0.000 0.801 143 E CB 0.005 29.708 29.700 0.004 0.000 0.750 143 E HN 0.114 nan 8.360 nan 0.000 0.452 144 K N 0.596 120.872 120.400 -0.206 0.000 2.097 144 K HA -0.141 4.073 4.320 -0.177 0.000 0.206 144 K C 1.937 178.693 176.600 0.261 0.000 1.049 144 K CA 1.083 57.372 56.287 0.003 0.000 0.933 144 K CB -0.021 32.426 32.500 -0.089 0.000 0.717 144 K HN 0.077 nan 8.250 nan 0.000 0.442 145 E N 1.061 121.343 120.200 0.136 0.000 2.077 145 E HA -0.159 4.084 4.350 -0.177 0.000 0.193 145 E C 2.144 178.878 176.600 0.223 0.000 0.989 145 E CA 0.984 57.487 56.400 0.172 0.000 0.800 145 E CB -0.201 29.556 29.700 0.096 0.000 0.746 145 E HN 0.314 nan 8.360 nan 0.000 0.452 146 L N 0.497 121.831 121.223 0.184 0.000 2.017 146 L HA -0.181 4.053 4.340 -0.177 0.000 0.208 146 L C 2.614 179.611 176.870 0.213 0.000 1.073 146 L CA 1.243 56.192 54.840 0.182 0.000 0.745 146 L CB -0.606 41.550 42.059 0.161 0.000 0.894 146 L HN 0.066 nan 8.230 nan 0.000 0.432 147 A N -0.686 122.300 122.820 0.276 0.000 1.908 147 A HA -0.252 3.962 4.320 -0.177 0.000 0.218 147 A C 2.051 179.675 177.584 0.066 0.000 1.181 147 A CA 1.651 53.839 52.037 0.251 0.000 0.627 147 A CB -0.877 18.387 19.000 0.440 0.000 0.818 147 A HN 0.380 nan 8.150 nan 0.000 0.445 148 Y N -0.768 119.606 120.300 0.123 0.000 2.263 148 Y HA -0.093 4.355 4.550 -0.170 0.000 0.292 148 Y C 2.581 178.542 175.900 0.102 0.000 1.130 148 Y CA 1.598 59.742 58.100 0.074 0.000 1.179 148 Y CB -0.280 38.264 38.460 0.141 0.000 0.998 148 Y HN 0.263 nan 8.280 nan 0.000 0.532 149 R N 0.429 121.083 120.500 0.257 0.000 2.083 149 R HA -0.180 4.054 4.340 -0.177 0.000 0.237 149 R C 2.031 178.326 176.300 -0.008 0.000 1.137 149 R CA 1.939 58.143 56.100 0.174 0.000 0.951 149 R CB -0.503 29.896 30.300 0.166 0.000 0.851 149 R HN 0.331 nan 8.270 nan 0.000 0.434 150 I N 0.424 120.992 120.570 -0.002 0.000 2.226 150 I HA -0.246 3.818 4.170 -0.177 0.000 0.245 150 I C 2.566 178.564 176.117 -0.197 0.000 1.100 150 I CA 1.240 62.490 61.300 -0.083 0.000 1.374 150 I CB -0.386 37.623 38.000 0.015 0.000 1.057 150 I HN 0.275 nan 8.210 nan 0.000 0.413 151 A N 0.575 123.296 122.820 -0.165 0.000 1.883 151 A HA -0.253 3.961 4.320 -0.177 0.000 0.217 151 A C 2.229 179.744 177.584 -0.114 0.000 1.186 151 A CA 1.887 53.802 52.037 -0.203 0.000 0.624 151 A CB -0.654 18.169 19.000 -0.295 0.000 0.822 151 A HN 0.462 nan 8.150 nan 0.000 0.444 152 E N -0.257 119.937 120.200 -0.010 0.000 2.077 152 E HA -0.209 4.034 4.350 -0.177 0.000 0.193 152 E C 2.090 178.716 176.600 0.043 0.000 0.989 152 E CA 1.430 57.894 56.400 0.107 0.000 0.800 152 E CB -0.170 29.719 29.700 0.315 0.000 0.746 152 E HN 0.609 nan 8.360 nan 0.000 0.452 153 K N 0.566 120.862 120.400 -0.175 0.000 2.057 153 K HA -0.124 4.090 4.320 -0.177 0.000 0.207 153 K C 2.226 178.778 176.600 -0.081 0.000 1.049 153 K CA 0.905 57.056 56.287 -0.228 0.000 0.931 153 K CB -0.134 32.152 32.500 -0.357 0.000 0.714 153 K HN 0.077 nan 8.250 nan 0.000 0.440 154 L N 0.562 121.674 121.223 -0.185 0.000 2.046 154 L HA -0.206 4.027 4.340 -0.177 0.000 0.208 154 L C 2.299 179.164 176.870 -0.009 0.000 1.077 154 L CA 0.945 55.689 54.840 -0.159 0.000 0.747 154 L CB -0.363 41.531 42.059 -0.275 0.000 0.896 154 L HN 0.003 nan 8.230 nan 0.000 0.432 155 V N -0.292 119.631 119.914 0.014 0.000 2.358 155 V HA -0.259 3.755 4.120 -0.177 0.000 0.246 155 V C 2.657 178.875 176.094 0.207 0.000 1.047 155 V CA 1.748 64.103 62.300 0.090 0.000 1.035 155 V CB -0.838 31.017 31.823 0.053 0.000 0.658 155 V HN 0.482 nan 8.190 nan 0.000 0.452 156 A N -0.311 122.627 122.820 0.196 0.000 1.969 156 A HA -0.174 4.040 4.320 -0.177 0.000 0.218 156 A C 2.257 179.968 177.584 0.213 0.000 1.169 156 A CA 1.658 53.868 52.037 0.288 0.000 0.635 156 A CB -0.297 18.867 19.000 0.274 0.000 0.810 156 A HN 0.557 nan 8.150 nan 0.000 0.445 157 K N -1.653 118.832 120.400 0.140 0.000 2.262 157 K HA 0.109 4.322 4.320 -0.177 0.000 0.200 157 K C 1.853 178.480 176.600 0.045 0.000 1.049 157 K CA 0.819 57.158 56.287 0.087 0.000 0.979 157 K CB -0.130 32.436 32.500 0.110 0.000 0.773 157 K HN 0.361 nan 8.250 nan 0.000 0.474 158 M N 1.819 121.457 119.600 0.062 0.000 2.082 158 M HA -0.114 4.260 4.480 -0.177 0.000 0.258 158 M C -1.319 174.965 176.300 -0.027 0.000 1.069 158 M CA 1.750 57.069 55.300 0.032 0.000 1.102 158 M CB -0.672 31.948 32.600 0.034 0.000 1.336 158 M HN -0.088 nan 8.290 nan 0.000 0.404 159 P HA -0.059 nan 4.420 nan 0.000 0.218 159 P C 1.152 178.463 177.300 0.019 0.000 1.149 159 P CA 1.524 64.559 63.100 -0.109 0.000 0.817 159 P CB -0.304 31.262 31.700 -0.224 0.000 0.785 160 T N -0.416 114.081 114.554 -0.095 0.000 2.777 160 T HA -0.088 4.156 4.350 -0.177 0.000 0.266 160 T C 1.783 176.266 174.700 -0.363 0.000 1.040 160 T CA 1.034 62.943 62.100 -0.319 0.000 1.141 160 T CB -0.883 67.746 68.868 -0.398 0.000 0.868 160 T HN 0.075 nan 8.240 nan 0.000 0.444 161 I N 0.943 121.433 120.570 -0.133 0.000 2.127 161 I HA -0.183 3.881 4.170 -0.177 0.000 0.241 161 I C 2.529 178.738 176.117 0.153 0.000 1.075 161 I CA 1.058 62.373 61.300 0.024 0.000 1.334 161 I CB -0.593 37.457 38.000 0.083 0.000 1.040 161 I HN 0.088 nan 8.210 nan 0.000 0.405 162 V N 1.144 121.152 119.914 0.156 0.000 2.255 162 V HA -0.334 3.680 4.120 -0.177 0.000 0.247 162 V C 2.731 179.015 176.094 0.316 0.000 1.051 162 V CA 2.194 64.664 62.300 0.283 0.000 1.018 162 V CB -1.144 30.820 31.823 0.236 0.000 0.641 162 V HN 0.521 nan 8.190 nan 0.000 0.445 163 A N -1.194 121.759 122.820 0.222 0.000 1.902 163 A HA -0.214 3.999 4.320 -0.177 0.000 0.217 163 A C 2.136 179.811 177.584 0.151 0.000 1.181 163 A CA 1.816 53.889 52.037 0.061 0.000 0.623 163 A CB -0.734 18.229 19.000 -0.062 0.000 0.818 163 A HN 0.545 nan 8.150 nan 0.000 0.443 164 Y N -0.523 119.758 120.300 -0.032 0.000 2.224 164 Y HA -0.186 4.259 4.550 -0.176 0.000 0.289 164 Y C 2.480 178.318 175.900 -0.104 0.000 1.146 164 Y CA 0.980 58.967 58.100 -0.189 0.000 1.182 164 Y CB -1.067 37.347 38.460 -0.077 0.000 0.983 164 Y HN 0.590 nan 8.280 nan 0.000 0.524 165 H N -1.024 118.215 119.070 0.282 0.000 2.353 165 H HA -0.239 4.214 4.556 -0.170 0.000 0.300 165 H C 2.170 177.651 175.328 0.256 0.000 1.090 165 H CA 1.952 58.203 56.048 0.339 0.000 1.327 165 H CB -0.563 29.425 29.762 0.377 0.000 1.383 165 H HN 0.376 nan 8.280 nan 0.000 0.508 166 Y N 2.031 122.382 120.300 0.086 0.000 2.081 166 Y HA -0.251 4.191 4.550 -0.179 0.000 0.280 166 Y C 2.641 178.410 175.900 -0.218 0.000 1.163 166 Y CA 1.906 59.849 58.100 -0.262 0.000 1.135 166 Y CB -0.239 37.801 38.460 -0.700 0.000 0.970 166 Y HN 0.044 nan 8.280 nan 0.000 0.498 167 R N -0.367 119.911 120.500 -0.370 0.000 2.080 167 R HA -0.185 4.049 4.340 -0.177 0.000 0.236 167 R C 2.164 178.261 176.300 -0.339 0.000 1.137 167 R CA 1.822 57.647 56.100 -0.458 0.000 0.943 167 R CB -1.597 28.435 30.300 -0.446 0.000 0.846 167 R HN 0.399 nan 8.270 nan 0.000 0.431 168 F N 1.558 121.366 119.950 -0.236 0.000 2.171 168 F HA -0.173 4.246 4.527 -0.180 0.000 0.300 168 F C 2.716 178.360 175.800 -0.260 0.000 1.090 168 F CA 1.475 59.344 58.000 -0.218 0.000 1.293 168 F CB -1.067 37.833 39.000 -0.167 0.000 1.013 168 F HN 0.120 nan 8.300 nan 0.000 0.486 169 S N -0.186 115.416 115.700 -0.163 0.000 2.419 169 S HA -0.162 4.202 4.470 -0.177 0.000 0.233 169 S C 1.805 176.316 174.600 -0.149 0.000 1.016 169 S CA 0.803 58.900 58.200 -0.172 0.000 0.974 169 S CB -0.286 62.836 63.200 -0.129 0.000 0.786 169 S HN 0.196 nan 8.310 nan 0.000 0.492 170 R N 0.915 121.263 120.500 -0.254 0.000 2.388 170 R HA 0.395 4.629 4.340 -0.177 0.000 0.247 170 R C 1.385 177.597 176.300 -0.146 0.000 0.931 170 R CA 0.178 56.136 56.100 -0.237 0.000 1.082 170 R CB -0.403 29.644 30.300 -0.422 0.000 1.135 170 R HN 0.552 nan 8.270 nan 0.000 0.525 171 G N 0.647 109.392 108.800 -0.093 0.000 2.225 171 G HA2 -0.284 3.569 3.960 -0.177 0.000 0.267 171 G HA3 -0.284 3.569 3.960 -0.177 0.000 0.267 171 G C -0.114 174.757 174.900 -0.048 0.000 1.024 171 G CA 0.362 45.436 45.100 -0.043 0.000 0.784 171 G HN 0.239 nan 8.290 nan 0.000 0.507 172 L N -0.524 120.645 121.223 -0.090 0.000 2.352 172 L HA 0.596 4.830 4.340 -0.177 0.000 0.269 172 L C 0.526 177.326 176.870 -0.117 0.000 1.034 172 L CA -1.325 53.446 54.840 -0.115 0.000 0.806 172 L CB 0.897 42.849 42.059 -0.179 0.000 1.244 172 L HN -0.031 nan 8.230 nan 0.000 0.447 173 E N 1.150 121.275 120.200 -0.125 0.000 2.366 173 E HA 0.191 4.435 4.350 -0.177 0.000 0.266 173 E C -0.414 175.992 176.600 -0.323 0.000 1.051 173 E CA -0.335 55.974 56.400 -0.153 0.000 0.884 173 E CB 1.704 31.342 29.700 -0.103 0.000 1.006 173 E HN 0.375 nan 8.360 nan 0.000 0.417 174 V N -0.272 119.342 119.914 -0.500 0.000 2.963 174 V HA 0.164 4.178 4.120 -0.177 0.000 0.306 174 V C 0.250 176.098 176.094 -0.409 0.000 1.077 174 V CA -0.638 61.250 62.300 -0.686 0.000 1.124 174 V CB 0.864 31.943 31.823 -1.239 0.000 0.987 174 V HN 0.276 nan 8.190 nan 0.000 0.487 175 V N 5.347 125.061 119.914 -0.333 0.000 2.334 175 V HA 0.452 4.465 4.120 -0.177 0.000 0.281 175 V C 0.641 176.710 176.094 -0.041 0.000 1.016 175 V CA -0.566 61.591 62.300 -0.237 0.000 0.832 175 V CB 0.747 32.316 31.823 -0.425 0.000 0.999 175 V HN 0.965 nan 8.190 nan 0.000 0.439 176 R N 4.765 125.292 120.500 0.044 0.000 2.694 176 R HA 0.280 4.514 4.340 -0.177 0.000 0.268 176 R C -2.405 174.049 176.300 0.256 0.000 1.061 176 R CA -1.460 54.761 56.100 0.203 0.000 1.133 176 R CB 0.235 30.619 30.300 0.141 0.000 1.020 176 R HN 0.409 nan 8.270 nan 0.000 0.475 177 P HA 0.025 nan 4.420 nan 0.000 0.268 177 P C -0.779 176.628 177.300 0.178 0.000 1.204 177 P CA 0.283 63.505 63.100 0.203 0.000 0.768 177 P CB 0.525 32.300 31.700 0.125 0.000 0.842 178 R N 2.333 122.922 120.500 0.149 0.000 2.202 178 R HA 0.090 4.324 4.340 -0.177 0.000 0.334 178 R C 0.804 177.097 176.300 -0.012 0.000 1.036 178 R CA -0.256 55.836 56.100 -0.014 0.000 0.878 178 R CB 0.365 30.480 30.300 -0.309 0.000 1.067 178 R HN 0.430 nan 8.270 nan 0.000 0.457 179 D N 1.528 121.926 120.400 -0.003 0.000 2.263 179 D HA -0.161 4.373 4.640 -0.177 0.000 0.208 179 D C 1.043 177.337 176.300 -0.010 0.000 0.971 179 D CA 1.274 55.275 54.000 0.002 0.000 0.867 179 D CB 0.332 41.134 40.800 0.003 0.000 0.929 179 D HN 0.580 nan 8.370 nan 0.000 0.492 180 D N -0.809 119.570 120.400 -0.035 0.000 2.340 180 D HA -0.052 4.482 4.640 -0.177 0.000 0.220 180 D C 0.517 176.799 176.300 -0.030 0.000 1.039 180 D CA 0.003 53.983 54.000 -0.033 0.000 0.866 180 D CB -0.018 40.754 40.800 -0.047 0.000 0.913 180 D HN 0.239 nan 8.370 nan 0.000 0.523 181 L N 0.539 121.742 121.223 -0.033 0.000 2.334 181 L HA 0.540 4.774 4.340 -0.177 0.000 0.275 181 L C 1.260 178.159 176.870 0.048 0.000 1.036 181 L CA -1.125 53.711 54.840 -0.007 0.000 0.807 181 L CB 1.865 43.901 42.059 -0.038 0.000 1.231 181 L HN -0.079 nan 8.230 nan 0.000 0.438 182 G N -1.092 107.755 108.800 0.079 0.000 2.684 182 G HA2 -0.001 3.853 3.960 -0.177 0.000 0.255 182 G HA3 -0.001 3.853 3.960 -0.177 0.000 0.255 182 G C 0.565 175.572 174.900 0.178 0.000 1.219 182 G CA 0.029 45.208 45.100 0.131 0.000 0.901 182 G HN 0.842 nan 8.290 nan 0.000 0.548 183 H N 0.278 119.423 119.070 0.124 0.000 2.290 183 H HA -0.084 4.364 4.556 -0.179 0.000 0.298 183 H C 2.658 178.072 175.328 0.143 0.000 1.087 183 H CA 2.809 58.942 56.048 0.141 0.000 1.291 183 H CB -0.020 29.862 29.762 0.200 0.000 1.369 183 H HN 0.461 nan 8.280 nan 0.000 0.492 184 A N 0.573 123.541 122.820 0.247 0.000 1.873 184 A HA -0.023 4.190 4.320 -0.177 0.000 0.215 184 A C 2.584 180.282 177.584 0.190 0.000 1.186 184 A CA 1.603 53.751 52.037 0.184 0.000 0.616 184 A CB -1.316 17.794 19.000 0.183 0.000 0.823 184 A HN 0.599 nan 8.150 nan 0.000 0.442 185 A N 0.324 123.243 122.820 0.165 0.000 1.902 185 A HA -0.242 3.972 4.320 -0.177 0.000 0.217 185 A C 1.960 179.631 177.584 0.145 0.000 1.181 185 A CA 2.213 54.337 52.037 0.146 0.000 0.623 185 A CB -0.816 18.253 19.000 0.114 0.000 0.818 185 A HN 0.640 nan 8.150 nan 0.000 0.443 186 N N -1.180 117.597 118.700 0.130 0.000 2.166 186 N HA -0.169 4.465 4.740 -0.177 0.000 0.186 186 N C 1.395 176.991 175.510 0.142 0.000 1.019 186 N CA 1.720 54.859 53.050 0.148 0.000 0.856 186 N CB -0.419 38.129 38.487 0.101 0.000 0.993 186 N HN 0.409 nan 8.380 nan 0.000 0.426 187 F N 0.995 120.909 119.950 -0.060 0.000 2.095 187 F HA -0.067 4.356 4.527 -0.174 0.000 0.298 187 F C 1.757 177.475 175.800 -0.136 0.000 1.104 187 F CA 1.342 59.261 58.000 -0.135 0.000 1.232 187 F CB -0.485 38.401 39.000 -0.189 0.000 0.987 187 F HN 0.073 nan 8.300 nan 0.000 0.475 188 L N -0.995 120.086 121.223 -0.236 0.000 2.083 188 L HA -0.235 3.999 4.340 -0.177 0.000 0.209 188 L C 2.441 179.198 176.870 -0.189 0.000 1.083 188 L CA 1.582 56.242 54.840 -0.300 0.000 0.752 188 L CB -1.097 40.992 42.059 0.050 0.000 0.899 188 L HN 0.292 nan 8.230 nan 0.000 0.433 189 Y N 0.692 120.912 120.300 -0.133 0.000 2.181 189 Y HA -0.262 4.181 4.550 -0.178 0.000 0.288 189 Y C 2.526 178.341 175.900 -0.142 0.000 1.146 189 Y CA 1.603 59.657 58.100 -0.077 0.000 1.164 189 Y CB -0.214 38.231 38.460 -0.025 0.000 0.982 189 Y HN 0.043 nan 8.280 nan 0.000 0.515 190 M N -0.934 118.449 119.600 -0.362 0.000 2.229 190 M HA -0.210 4.164 4.480 -0.177 0.000 0.264 190 M C 1.968 177.977 176.300 -0.486 0.000 1.063 190 M CA 1.154 56.212 55.300 -0.404 0.000 1.114 190 M CB -0.229 32.282 32.600 -0.150 0.000 1.387 190 M HN 0.338 nan 8.290 nan 0.000 0.420 191 M N -0.770 118.369 119.600 -0.768 0.000 2.123 191 M HA -0.070 4.304 4.480 -0.177 0.000 0.263 191 M C 1.399 177.211 176.300 -0.813 0.000 1.069 191 M CA 1.853 56.510 55.300 -1.070 0.000 1.133 191 M CB -0.628 30.750 32.600 -2.037 0.000 1.356 191 M HN 0.210 nan 8.290 nan 0.000 0.415 192 F N -0.910 118.876 119.950 -0.274 0.000 2.706 192 F HA 0.411 4.832 4.527 -0.175 0.000 0.308 192 F C 1.598 177.295 175.800 -0.170 0.000 1.095 192 F CA 0.233 58.133 58.000 -0.166 0.000 1.244 192 F CB -0.512 38.396 39.000 -0.154 0.000 1.063 192 F HN 0.365 nan 8.300 nan 0.000 0.582 193 G N 1.577 110.270 108.800 -0.179 0.000 2.148 193 G HA2 -0.295 3.558 3.960 -0.177 0.000 0.254 193 G HA3 -0.295 3.558 3.960 -0.177 0.000 0.254 193 G C 0.257 175.139 174.900 -0.029 0.000 0.981 193 G CA 0.226 45.176 45.100 -0.250 0.000 0.670 193 G HN 0.551 nan 8.290 nan 0.000 0.528 194 R N -0.590 119.976 120.500 0.109 0.000 2.725 194 R HA 0.710 4.943 4.340 -0.177 0.000 0.277 194 R C -0.378 176.113 176.300 0.319 0.000 0.987 194 R CA -0.930 55.304 56.100 0.223 0.000 0.901 194 R CB 1.516 31.889 30.300 0.121 0.000 1.207 194 R HN 0.202 nan 8.270 nan 0.000 0.463 195 E N 3.575 123.928 120.200 0.256 0.000 2.415 195 E HA 0.126 4.370 4.350 -0.177 0.000 0.263 195 E C -1.693 174.996 176.600 0.148 0.000 0.995 195 E CA -1.563 54.939 56.400 0.171 0.000 0.915 195 E CB 0.734 30.466 29.700 0.054 0.000 0.951 195 E HN 0.393 nan 8.360 nan 0.000 0.449 196 P HA 0.023 nan 4.420 nan 0.000 0.276 196 P C -0.614 176.770 177.300 0.140 0.000 1.252 196 P CA -0.318 62.871 63.100 0.147 0.000 0.802 196 P CB 0.596 32.396 31.700 0.167 0.000 1.035 197 D N 1.300 121.795 120.400 0.159 0.000 2.424 197 D HA 0.016 4.550 4.640 -0.177 0.000 0.244 197 D C -1.355 175.071 176.300 0.209 0.000 1.134 197 D CA -1.524 52.595 54.000 0.199 0.000 0.881 197 D CB 0.784 41.782 40.800 0.331 0.000 1.191 197 D HN 0.074 nan 8.370 nan 0.000 0.445 198 P HA -0.183 nan 4.420 nan 0.000 0.217 198 P C 1.519 178.950 177.300 0.219 0.000 1.151 198 P CA 0.599 63.795 63.100 0.159 0.000 0.849 198 P CB 0.152 31.918 31.700 0.110 0.000 0.787 199 L N -0.599 120.786 121.223 0.270 0.000 2.093 199 L HA -0.037 4.197 4.340 -0.177 0.000 0.208 199 L C 2.220 179.429 176.870 0.565 0.000 1.085 199 L CA 1.899 56.970 54.840 0.386 0.000 0.755 199 L CB -1.569 40.680 42.059 0.317 0.000 0.904 199 L HN -0.115 nan 8.230 nan 0.000 0.435 200 A N -1.640 121.483 122.820 0.505 0.000 1.898 200 A HA -0.146 4.067 4.320 -0.177 0.000 0.216 200 A C 2.373 180.149 177.584 0.321 0.000 1.181 200 A CA 1.781 54.104 52.037 0.477 0.000 0.620 200 A CB -0.855 18.343 19.000 0.330 0.000 0.819 200 A HN 0.492 nan 8.150 nan 0.000 0.442 201 S N -0.717 115.136 115.700 0.255 0.000 2.368 201 S HA -0.183 4.181 4.470 -0.177 0.000 0.225 201 S C 2.075 176.771 174.600 0.160 0.000 1.030 201 S CA 1.461 59.779 58.200 0.197 0.000 0.999 201 S CB -0.353 62.949 63.200 0.169 0.000 0.844 201 S HN 0.664 nan 8.310 nan 0.000 0.459 202 R N 0.976 121.576 120.500 0.167 0.000 2.091 202 R HA -0.114 4.120 4.340 -0.177 0.000 0.238 202 R C 2.422 178.652 176.300 -0.117 0.000 1.136 202 R CA 1.589 57.747 56.100 0.096 0.000 0.959 202 R CB -0.799 29.604 30.300 0.173 0.000 0.856 202 R HN 0.441 nan 8.270 nan 0.000 0.437 203 G N 1.350 109.968 108.800 -0.303 0.000 2.446 203 G HA2 -0.216 3.638 3.960 -0.177 0.000 0.217 203 G HA3 -0.216 3.638 3.960 -0.177 0.000 0.217 203 G C 1.373 176.194 174.900 -0.132 0.000 1.168 203 G CA 0.745 45.269 45.100 -0.960 0.000 0.771 203 G HN 0.197 nan 8.290 nan 0.000 0.551 204 I N 1.420 122.043 120.570 0.089 0.000 2.202 204 I HA -0.101 3.962 4.170 -0.177 0.000 0.242 204 I C 2.329 178.534 176.117 0.147 0.000 1.091 204 I CA 1.475 62.888 61.300 0.188 0.000 1.368 204 I CB -1.033 37.095 38.000 0.213 0.000 1.058 204 I HN 0.149 nan 8.210 nan 0.000 0.410 205 D N 0.875 121.346 120.400 0.119 0.000 2.104 205 D HA -0.212 4.322 4.640 -0.177 0.000 0.194 205 D C 2.136 178.517 176.300 0.134 0.000 0.994 205 D CA 1.071 55.150 54.000 0.132 0.000 0.830 205 D CB -0.043 40.842 40.800 0.143 0.000 0.959 205 D HN 0.129 nan 8.370 nan 0.000 0.452 206 L N -0.348 120.938 121.223 0.104 0.000 2.017 206 L HA -0.147 4.087 4.340 -0.177 0.000 0.208 206 L C 2.146 179.129 176.870 0.188 0.000 1.073 206 L CA 1.719 56.641 54.840 0.138 0.000 0.745 206 L CB -1.180 40.931 42.059 0.087 0.000 0.894 206 L HN 0.209 nan 8.230 nan 0.000 0.432 207 Y N -0.501 119.862 120.300 0.106 0.000 2.165 207 Y HA -0.273 4.169 4.550 -0.181 0.000 0.286 207 Y C 2.238 178.162 175.900 0.041 0.000 1.155 207 Y CA 2.051 60.130 58.100 -0.035 0.000 1.164 207 Y CB -0.193 38.190 38.460 -0.129 0.000 0.978 207 Y HN 0.201 nan 8.280 nan 0.000 0.513 208 L N -0.490 120.793 121.223 0.101 0.000 2.046 208 L HA -0.239 3.994 4.340 -0.177 0.000 0.208 208 L C 2.404 179.290 176.870 0.026 0.000 1.077 208 L CA 1.459 56.200 54.840 -0.164 0.000 0.747 208 L CB -0.591 41.093 42.059 -0.624 0.000 0.896 208 L HN 0.284 nan 8.230 nan 0.000 0.432 209 I N -0.158 120.527 120.570 0.193 0.000 2.179 209 I HA -0.325 3.739 4.170 -0.177 0.000 0.242 209 I C 2.392 178.626 176.117 0.194 0.000 1.088 209 I CA 1.456 62.926 61.300 0.284 0.000 1.357 209 I CB -0.241 37.887 38.000 0.213 0.000 1.051 209 I HN 0.225 nan 8.210 nan 0.000 0.409 210 L N -0.431 120.799 121.223 0.013 0.000 2.275 210 L HA -0.192 4.042 4.340 -0.177 0.000 0.215 210 L C 1.545 178.179 176.870 -0.393 0.000 1.119 210 L CA 1.218 55.946 54.840 -0.187 0.000 0.790 210 L CB -0.590 41.278 42.059 -0.318 0.000 0.919 210 L HN 0.364 nan 8.230 nan 0.000 0.443 211 H N -1.649 117.247 119.070 -0.289 0.000 2.592 211 H HA 0.285 4.734 4.556 -0.179 0.000 0.279 211 H C 1.839 176.967 175.328 -0.332 0.000 1.089 211 H CA 0.360 56.181 56.048 -0.379 0.000 1.150 211 H CB 0.365 29.686 29.762 -0.734 0.000 1.575 211 H HN 0.149 nan 8.280 nan 0.000 0.547 212 A N -0.034 122.753 122.820 -0.055 0.000 1.940 212 A HA -0.099 4.114 4.320 -0.177 0.000 0.219 212 A C 0.496 177.922 177.584 -0.263 0.000 1.176 212 A CA 1.822 53.767 52.037 -0.152 0.000 0.631 212 A CB 0.086 19.014 19.000 -0.119 0.000 0.814 212 A HN 0.418 nan 8.150 nan 0.000 0.446 213 D N -4.262 116.045 120.400 -0.155 0.000 2.654 213 D HA 0.428 4.962 4.640 -0.177 0.000 0.231 213 D C -1.221 175.279 176.300 0.334 0.000 1.239 213 D CA -0.413 53.593 54.000 0.010 0.000 0.790 213 D CB 0.859 41.614 40.800 -0.074 0.000 1.480 213 D HN 0.175 nan 8.370 nan 0.000 0.442 214 H N 2.968 122.156 119.070 0.196 0.000 2.733 214 H HA 0.163 4.611 4.556 -0.180 0.000 0.230 214 H C -0.190 175.254 175.328 0.193 0.000 1.402 214 H CA -0.134 56.051 56.048 0.228 0.000 1.464 214 H CB 0.279 30.187 29.762 0.242 0.000 1.877 214 H HN 0.681 nan 8.280 nan 0.000 0.593 215 E N -0.390 119.886 120.200 0.127 0.000 3.374 215 E HA -0.252 3.992 4.350 -0.177 0.000 0.319 215 E C -0.541 176.082 176.600 0.039 0.000 1.492 215 E CA 1.415 57.867 56.400 0.086 0.000 1.899 215 E CB -0.678 29.005 29.700 -0.027 0.000 1.894 215 E HN 0.187 nan 8.360 nan 0.000 0.484 216 V N 2.268 122.166 119.914 -0.026 0.000 2.320 216 V HA 0.278 4.291 4.120 -0.177 0.000 0.257 216 V C -1.858 174.201 176.094 -0.058 0.000 0.996 216 V CA -0.925 61.320 62.300 -0.092 0.000 0.928 216 V CB 0.263 31.971 31.823 -0.191 0.000 1.169 216 V HN 0.337 nan 8.190 nan 0.000 0.475 217 P HA 0.307 nan 4.420 nan 0.000 0.277 217 P C 1.123 178.463 177.300 0.068 0.000 1.276 217 P CA -0.114 62.995 63.100 0.015 0.000 0.788 217 P CB 1.191 32.942 31.700 0.085 0.000 1.114 218 A N 0.472 123.277 122.820 -0.025 0.000 1.978 218 A HA -0.186 4.027 4.320 -0.177 0.000 0.220 218 A C 2.264 179.966 177.584 0.197 0.000 1.170 218 A CA 2.392 54.487 52.037 0.098 0.000 0.636 218 A CB -1.711 17.301 19.000 0.021 0.000 0.810 218 A HN 0.679 nan 8.150 nan 0.000 0.448 219 S N -0.978 114.960 115.700 0.396 0.000 2.355 219 S HA -0.141 4.223 4.470 -0.177 0.000 0.222 219 S C 1.856 176.439 174.600 -0.029 0.000 1.031 219 S CA 1.807 60.108 58.200 0.168 0.000 0.993 219 S CB -1.232 62.156 63.200 0.313 0.000 0.859 219 S HN 0.469 nan 8.310 nan 0.000 0.453 220 T N 1.808 116.521 114.554 0.264 0.000 2.788 220 T HA 0.024 4.268 4.350 -0.177 0.000 0.268 220 T C 1.316 176.149 174.700 0.221 0.000 1.044 220 T CA 1.263 63.495 62.100 0.220 0.000 1.139 220 T CB -0.536 68.463 68.868 0.218 0.000 0.867 220 T HN 0.395 nan 8.240 nan 0.000 0.454 221 F N 2.420 122.345 119.950 -0.040 0.000 2.146 221 F HA 0.091 4.528 4.527 -0.150 0.000 0.298 221 F C 2.460 178.144 175.800 -0.194 0.000 1.096 221 F CA 0.471 58.376 58.000 -0.157 0.000 1.275 221 F CB -1.035 37.831 39.000 -0.223 0.000 1.008 221 F HN 0.151 nan 8.300 nan 0.000 0.480 222 A N 0.434 123.135 122.820 -0.199 0.000 1.908 222 A HA -0.112 4.101 4.320 -0.177 0.000 0.218 222 A C 2.485 179.875 177.584 -0.323 0.000 1.181 222 A CA 2.157 53.990 52.037 -0.339 0.000 0.627 222 A CB -1.586 17.256 19.000 -0.264 0.000 0.818 222 A HN 0.474 nan 8.150 nan 0.000 0.445 223 A N -0.941 121.697 122.820 -0.305 0.000 1.908 223 A HA -0.183 4.030 4.320 -0.177 0.000 0.218 223 A C 1.938 179.364 177.584 -0.265 0.000 1.181 223 A CA 2.028 53.875 52.037 -0.317 0.000 0.627 223 A CB -0.893 17.883 19.000 -0.374 0.000 0.818 223 A HN 0.689 nan 8.150 nan 0.000 0.445 224 H N -1.018 117.887 119.070 -0.274 0.000 2.321 224 H HA -0.067 4.377 4.556 -0.186 0.000 0.300 224 H C 2.108 177.275 175.328 -0.269 0.000 1.087 224 H CA 1.774 57.651 56.048 -0.284 0.000 1.319 224 H CB -0.173 29.413 29.762 -0.293 0.000 1.379 224 H HN 0.238 nan 8.280 nan 0.000 0.501 225 V N -0.211 119.473 119.914 -0.385 0.000 2.295 225 V HA -0.228 3.785 4.120 -0.177 0.000 0.246 225 V C 2.344 178.390 176.094 -0.080 0.000 1.049 225 V CA 1.543 63.620 62.300 -0.373 0.000 1.024 225 V CB -0.509 30.918 31.823 -0.660 0.000 0.648 225 V HN 0.258 nan 8.190 nan 0.000 0.447 226 V N 0.285 120.125 119.914 -0.124 0.000 2.307 226 V HA -0.220 3.794 4.120 -0.177 0.000 0.245 226 V C 2.690 178.817 176.094 0.054 0.000 1.045 226 V CA 1.979 64.250 62.300 -0.048 0.000 1.024 226 V CB -1.089 30.676 31.823 -0.096 0.000 0.651 226 V HN 0.556 nan 8.190 nan 0.000 0.449 227 A N 0.646 123.488 122.820 0.038 0.000 2.019 227 A HA -0.186 4.027 4.320 -0.177 0.000 0.219 227 A C 2.484 180.353 177.584 0.476 0.000 1.164 227 A CA 1.937 54.092 52.037 0.197 0.000 0.644 227 A CB -0.668 18.238 19.000 -0.156 0.000 0.805 227 A HN 0.700 nan 8.150 nan 0.000 0.449 228 S N -0.126 115.800 115.700 0.378 0.000 2.474 228 S HA -0.133 4.230 4.470 -0.177 0.000 0.235 228 S C 1.668 176.440 174.600 0.287 0.000 0.997 228 S CA 1.736 60.219 58.200 0.471 0.000 0.949 228 S CB -1.132 62.401 63.200 0.555 0.000 0.766 228 S HN 0.795 nan 8.310 nan 0.000 0.517 229 T N -0.588 114.093 114.554 0.211 0.000 3.129 229 T HA 0.378 4.621 4.350 -0.177 0.000 0.251 229 T C 0.879 175.626 174.700 0.078 0.000 1.117 229 T CA 0.200 62.370 62.100 0.117 0.000 1.034 229 T CB -0.794 68.124 68.868 0.083 0.000 0.968 229 T HN 0.508 nan 8.240 nan 0.000 0.526 230 L N 0.281 121.582 121.223 0.130 0.000 4.351 230 L HA -0.183 4.051 4.340 -0.177 0.000 0.410 230 L C 0.795 177.720 176.870 0.092 0.000 1.150 230 L CA 0.055 54.897 54.840 0.003 0.000 0.961 230 L CB -2.783 39.151 42.059 -0.208 0.000 2.130 230 L HN 0.478 nan 8.230 nan 0.000 0.787 231 S N 0.877 116.681 115.700 0.174 0.000 2.589 231 S HA 0.180 4.544 4.470 -0.177 0.000 0.265 231 S C 0.474 175.224 174.600 0.249 0.000 1.342 231 S CA 0.011 58.299 58.200 0.146 0.000 1.005 231 S CB 0.644 63.901 63.200 0.095 0.000 0.909 231 S HN 0.437 nan 8.310 nan 0.000 0.555 232 D N 2.120 122.630 120.400 0.184 0.000 2.358 232 D HA 0.025 4.558 4.640 -0.177 0.000 0.244 232 D C 1.509 177.918 176.300 0.183 0.000 1.163 232 D CA -0.455 53.687 54.000 0.237 0.000 0.945 232 D CB 0.577 41.489 40.800 0.187 0.000 1.152 232 D HN 0.522 nan 8.370 nan 0.000 0.451 233 L N 0.251 121.571 121.223 0.161 0.000 2.083 233 L HA -0.242 3.992 4.340 -0.177 0.000 0.209 233 L C 2.429 179.268 176.870 -0.052 0.000 1.083 233 L CA 1.188 55.998 54.840 -0.051 0.000 0.752 233 L CB -0.536 41.440 42.059 -0.138 0.000 0.899 233 L HN 0.490 nan 8.230 nan 0.000 0.433 234 Y N -0.625 119.664 120.300 -0.019 0.000 2.145 234 Y HA -0.252 4.186 4.550 -0.187 0.000 0.286 234 Y C 2.905 178.780 175.900 -0.041 0.000 1.145 234 Y CA 1.643 59.730 58.100 -0.023 0.000 1.148 234 Y CB -0.432 38.020 38.460 -0.015 0.000 0.981 234 Y HN 0.087 nan 8.280 nan 0.000 0.507 235 S N -0.642 115.137 115.700 0.131 0.000 2.382 235 S HA -0.196 4.168 4.470 -0.177 0.000 0.228 235 S C 2.198 176.776 174.600 -0.037 0.000 1.027 235 S CA 1.422 59.644 58.200 0.037 0.000 0.991 235 S CB -0.425 62.795 63.200 0.033 0.000 0.823 235 S HN 0.378 nan 8.310 nan 0.000 0.469 236 S N 1.067 116.730 115.700 -0.060 0.000 2.368 236 S HA -0.055 4.309 4.470 -0.177 0.000 0.225 236 S C 1.998 176.458 174.600 -0.233 0.000 1.030 236 S CA 1.008 59.116 58.200 -0.154 0.000 0.999 236 S CB -0.345 62.740 63.200 -0.191 0.000 0.844 236 S HN 0.334 nan 8.310 nan 0.000 0.459 237 V N 1.938 121.746 119.914 -0.177 0.000 2.427 237 V HA -0.148 3.866 4.120 -0.177 0.000 0.248 237 V C 2.627 178.589 176.094 -0.220 0.000 1.051 237 V CA 1.535 63.717 62.300 -0.197 0.000 1.048 237 V CB -1.175 30.634 31.823 -0.025 0.000 0.666 237 V HN 0.528 nan 8.190 nan 0.000 0.456 238 A N 0.133 122.890 122.820 -0.106 0.000 1.908 238 A HA -0.156 4.058 4.320 -0.177 0.000 0.218 238 A C 2.424 179.913 177.584 -0.158 0.000 1.181 238 A CA 2.179 54.167 52.037 -0.082 0.000 0.627 238 A CB -0.750 18.239 19.000 -0.019 0.000 0.818 238 A HN 0.567 nan 8.150 nan 0.000 0.445 239 A N -0.203 122.501 122.820 -0.193 0.000 1.898 239 A HA 0.184 4.397 4.320 -0.177 0.000 0.216 239 A C 2.515 179.900 177.584 -0.331 0.000 1.181 239 A CA 2.023 53.927 52.037 -0.221 0.000 0.620 239 A CB -1.038 17.839 19.000 -0.204 0.000 0.819 239 A HN 1.080 nan 8.150 nan 0.000 0.442 240 A N 0.094 122.591 122.820 -0.538 0.000 1.908 240 A HA -0.139 4.074 4.320 -0.177 0.000 0.218 240 A C 2.116 179.285 177.584 -0.692 0.000 1.181 240 A CA 1.646 53.156 52.037 -0.880 0.000 0.627 240 A CB -0.660 17.200 19.000 -1.899 0.000 0.818 240 A HN 0.512 nan 8.150 nan 0.000 0.445 241 I N -0.290 119.961 120.570 -0.531 0.000 2.226 241 I HA -0.293 3.771 4.170 -0.177 0.000 0.245 241 I C 2.983 179.000 176.117 -0.166 0.000 1.100 241 I CA 1.018 62.200 61.300 -0.196 0.000 1.374 241 I CB -0.386 37.573 38.000 -0.069 0.000 1.057 241 I HN 0.367 nan 8.210 nan 0.000 0.413 242 A N 0.800 123.511 122.820 -0.180 0.000 1.908 242 A HA -0.228 3.985 4.320 -0.177 0.000 0.218 242 A C 2.527 180.024 177.584 -0.143 0.000 1.181 242 A CA 2.157 54.101 52.037 -0.155 0.000 0.627 242 A CB -0.856 18.068 19.000 -0.127 0.000 0.818 242 A HN 0.455 nan 8.150 nan 0.000 0.445 243 A N -0.764 121.972 122.820 -0.140 0.000 1.897 243 A HA 0.045 4.259 4.320 -0.177 0.000 0.215 243 A C 2.087 179.656 177.584 -0.026 0.000 1.181 243 A CA 1.558 53.559 52.037 -0.060 0.000 0.620 243 A CB -0.611 18.372 19.000 -0.027 0.000 0.821 243 A HN 0.731 nan 8.150 nan 0.000 0.443 244 L N 0.178 121.330 121.223 -0.119 0.000 2.127 244 L HA -0.135 4.099 4.340 -0.177 0.000 0.211 244 L C 2.156 178.924 176.870 -0.169 0.000 1.089 244 L CA 2.442 57.121 54.840 -0.268 0.000 0.757 244 L CB -0.505 41.499 42.059 -0.092 0.000 0.899 244 L HN 0.455 nan 8.230 nan 0.000 0.434 245 K N -0.332 119.983 120.400 -0.141 0.000 2.280 245 K HA -0.023 4.191 4.320 -0.177 0.000 0.202 245 K C 0.928 177.432 176.600 -0.159 0.000 1.047 245 K CA 0.593 56.773 56.287 -0.179 0.000 0.942 245 K CB -0.407 31.929 32.500 -0.274 0.000 0.739 245 K HN 0.475 nan 8.250 nan 0.000 0.457 246 G N 1.567 110.309 108.800 -0.096 0.000 2.441 246 G HA2 0.061 3.915 3.960 -0.177 0.000 0.243 246 G HA3 0.061 3.915 3.960 -0.177 0.000 0.243 246 G C -1.754 173.121 174.900 -0.041 0.000 1.281 246 G CA -1.139 43.922 45.100 -0.066 0.000 0.854 246 G HN 0.114 nan 8.290 nan 0.000 0.560 247 P HA -0.071 nan 4.420 nan 0.000 0.225 247 P C 1.542 178.825 177.300 -0.027 0.000 1.148 247 P CA 0.681 63.752 63.100 -0.048 0.000 0.779 247 P CB 0.258 31.924 31.700 -0.058 0.000 0.780 248 L N -1.658 119.554 121.223 -0.018 0.000 2.554 248 L HA 0.013 4.247 4.340 -0.177 0.000 0.226 248 L C 2.420 179.286 176.870 -0.006 0.000 1.137 248 L CA 0.611 55.435 54.840 -0.026 0.000 0.863 248 L CB -0.830 41.202 42.059 -0.046 0.000 0.985 248 L HN 0.083 nan 8.230 nan 0.000 0.451 249 H N -0.116 118.911 119.070 -0.071 0.000 2.729 249 H HA 0.319 4.763 4.556 -0.186 0.000 0.263 249 H C 0.521 175.768 175.328 -0.135 0.000 0.961 249 H CA 0.728 56.729 56.048 -0.078 0.000 1.217 249 H CB 1.020 30.748 29.762 -0.056 0.000 1.447 249 H HN 0.236 nan 8.280 nan 0.000 0.496 250 G N -2.789 106.031 108.800 0.034 0.000 2.600 250 G HA2 0.422 4.276 3.960 -0.177 0.000 0.293 250 G HA3 0.422 4.276 3.960 -0.177 0.000 0.293 250 G C 0.142 175.024 174.900 -0.029 0.000 1.408 250 G CA -0.280 44.788 45.100 -0.053 0.000 0.782 250 G HN 0.294 nan 8.290 nan 0.000 0.482 251 G N -1.598 107.198 108.800 -0.006 0.000 2.284 251 G HA2 0.147 4.001 3.960 -0.177 0.000 0.201 251 G HA3 0.147 4.001 3.960 -0.177 0.000 0.201 251 G C 1.545 176.445 174.900 -0.001 0.000 0.998 251 G CA 1.371 46.467 45.100 -0.007 0.000 0.651 251 G HN 1.959 nan 8.290 nan 0.000 0.489 252 A N 1.786 124.615 122.820 0.015 0.000 1.902 252 A HA -0.054 4.160 4.320 -0.177 0.000 0.217 252 A C 2.164 179.767 177.584 0.033 0.000 1.181 252 A CA 2.530 54.573 52.037 0.010 0.000 0.623 252 A CB -0.614 18.406 19.000 0.034 0.000 0.818 252 A HN 1.124 nan 8.150 nan 0.000 0.443 253 N N 0.372 119.149 118.700 0.128 0.000 2.244 253 N HA -0.195 4.439 4.740 -0.177 0.000 0.183 253 N C 1.515 177.189 175.510 0.273 0.000 1.016 253 N CA 1.662 54.830 53.050 0.197 0.000 0.866 253 N CB -0.648 37.987 38.487 0.248 0.000 0.980 253 N HN 0.746 nan 8.380 nan 0.000 0.430 254 E N -0.149 120.214 120.200 0.272 0.000 2.047 254 E HA -0.171 4.073 4.350 -0.177 0.000 0.191 254 E C 1.838 178.331 176.600 -0.179 0.000 0.987 254 E CA 0.944 57.383 56.400 0.064 0.000 0.799 254 E CB -0.108 29.469 29.700 -0.205 0.000 0.752 254 E HN 0.243 nan 8.360 nan 0.000 0.449 255 M N 1.114 120.609 119.600 -0.174 0.000 2.159 255 M HA -0.043 4.331 4.480 -0.177 0.000 0.263 255 M C 2.005 178.123 176.300 -0.302 0.000 1.063 255 M CA 1.810 56.971 55.300 -0.232 0.000 1.110 255 M CB -0.438 32.059 32.600 -0.170 0.000 1.374 255 M HN 0.216 nan 8.290 nan 0.000 0.411 256 A N -0.878 121.749 122.820 -0.320 0.000 1.883 256 A HA -0.122 4.091 4.320 -0.177 0.000 0.217 256 A C 2.196 179.230 177.584 -0.918 0.000 1.186 256 A CA 2.162 53.804 52.037 -0.658 0.000 0.624 256 A CB -1.308 17.371 19.000 -0.535 0.000 0.822 256 A HN 0.372 nan 8.150 nan 0.000 0.444 257 V N 0.030 119.706 119.914 -0.397 0.000 2.295 257 V HA -0.284 3.730 4.120 -0.177 0.000 0.246 257 V C 2.649 178.620 176.094 -0.204 0.000 1.049 257 V CA 2.299 64.490 62.300 -0.181 0.000 1.024 257 V CB -0.843 31.055 31.823 0.125 0.000 0.648 257 V HN 0.533 nan 8.190 nan 0.000 0.447 258 R N 0.167 120.533 120.500 -0.223 0.000 2.105 258 R HA -0.174 4.060 4.340 -0.177 0.000 0.239 258 R C 2.209 178.399 176.300 -0.184 0.000 1.135 258 R CA 1.727 57.713 56.100 -0.191 0.000 0.967 258 R CB -0.476 29.658 30.300 -0.277 0.000 0.861 258 R HN 0.526 nan 8.270 nan 0.000 0.442 259 N N 0.016 118.544 118.700 -0.288 0.000 2.120 259 N HA -0.152 4.482 4.740 -0.177 0.000 0.188 259 N C 1.592 177.004 175.510 -0.164 0.000 1.024 259 N CA 1.317 54.213 53.050 -0.257 0.000 0.852 259 N CB -0.416 37.859 38.487 -0.354 0.000 1.003 259 N HN 0.238 nan 8.380 nan 0.000 0.424 260 Y N 1.233 121.439 120.300 -0.157 0.000 2.224 260 Y HA -0.005 4.439 4.550 -0.176 0.000 0.289 260 Y C 2.315 178.151 175.900 -0.106 0.000 1.146 260 Y CA 0.360 58.368 58.100 -0.153 0.000 1.182 260 Y CB -0.930 37.412 38.460 -0.196 0.000 0.983 260 Y HN 0.009 nan 8.280 nan 0.000 0.524 261 L N -0.203 121.039 121.223 0.031 0.000 2.046 261 L HA -0.220 4.014 4.340 -0.177 0.000 0.208 261 L C 2.518 179.402 176.870 0.022 0.000 1.077 261 L CA 1.809 56.657 54.840 0.014 0.000 0.747 261 L CB -0.469 41.586 42.059 -0.008 0.000 0.896 261 L HN 0.247 nan 8.230 nan 0.000 0.432 262 E N 0.688 120.888 120.200 -0.000 0.000 2.072 262 E HA -0.203 4.040 4.350 -0.177 0.000 0.191 262 E C 2.330 178.937 176.600 0.011 0.000 0.985 262 E CA 0.952 57.352 56.400 -0.000 0.000 0.801 262 E CB 0.022 29.707 29.700 -0.025 0.000 0.750 262 E HN 0.440 nan 8.360 nan 0.000 0.452 263 I N 0.032 120.612 120.570 0.017 0.000 2.163 263 I HA -0.227 3.837 4.170 -0.177 0.000 0.243 263 I C 2.200 178.335 176.117 0.030 0.000 1.085 263 I CA 1.361 62.677 61.300 0.026 0.000 1.347 263 I CB -0.483 37.545 38.000 0.046 0.000 1.044 263 I HN 0.514 nan 8.210 nan 0.000 0.408 264 G N -0.164 108.659 108.800 0.039 0.000 2.562 264 G HA2 -0.357 3.497 3.960 -0.177 0.000 0.241 264 G HA3 -0.357 3.497 3.960 -0.177 0.000 0.241 264 G C 0.774 175.696 174.900 0.036 0.000 1.120 264 G CA 0.741 45.865 45.100 0.041 0.000 0.673 264 G HN 0.476 nan 8.290 nan 0.000 0.519 265 T N 0.934 115.505 114.554 0.028 0.000 2.841 265 T HA 0.637 4.881 4.350 -0.177 0.000 0.285 265 T C -1.437 173.271 174.700 0.013 0.000 0.991 265 T CA -0.899 61.214 62.100 0.023 0.000 0.966 265 T CB 2.142 71.024 68.868 0.023 0.000 0.962 265 T HN -0.056 nan 8.240 nan 0.000 0.438 266 P HA 0.014 nan 4.420 nan 0.000 0.221 266 P C 1.353 178.656 177.300 0.005 0.000 1.145 266 P CA 0.796 63.893 63.100 -0.005 0.000 0.795 266 P CB 0.046 31.745 31.700 -0.003 0.000 0.775 267 A N 0.113 122.940 122.820 0.012 0.000 2.076 267 A HA -0.218 3.996 4.320 -0.177 0.000 0.220 267 A C 1.965 179.557 177.584 0.015 0.000 1.160 267 A CA 1.532 53.578 52.037 0.014 0.000 0.653 267 A CB -0.969 18.040 19.000 0.016 0.000 0.801 267 A HN 0.221 nan 8.150 nan 0.000 0.455 268 K N -0.352 120.057 120.400 0.014 0.000 2.459 268 K HA 0.225 4.439 4.320 -0.177 0.000 0.193 268 K C 2.031 178.640 176.600 0.016 0.000 1.030 268 K CA 0.436 56.732 56.287 0.015 0.000 1.026 268 K CB -0.146 32.363 32.500 0.015 0.000 0.809 268 K HN 0.447 nan 8.250 nan 0.000 0.504 269 A N 2.234 125.062 122.820 0.013 0.000 1.892 269 A HA -0.277 3.937 4.320 -0.177 0.000 0.218 269 A C 2.087 179.685 177.584 0.022 0.000 1.188 269 A CA 1.837 53.881 52.037 0.012 0.000 0.631 269 A CB -0.363 18.640 19.000 0.004 0.000 0.822 269 A HN 0.235 nan 8.150 nan 0.000 0.447 270 K N 0.037 120.455 120.400 0.030 0.000 2.026 270 K HA -0.216 3.997 4.320 -0.177 0.000 0.208 270 K C 2.148 178.781 176.600 0.055 0.000 1.048 270 K CA 1.733 58.050 56.287 0.050 0.000 0.929 270 K CB -0.214 32.313 32.500 0.045 0.000 0.713 270 K HN 0.787 nan 8.250 nan 0.000 0.439 271 E N 0.452 120.674 120.200 0.037 0.000 2.106 271 E HA -0.189 4.054 4.350 -0.177 0.000 0.192 271 E C 2.015 178.631 176.600 0.026 0.000 0.984 271 E CA 1.113 57.532 56.400 0.032 0.000 0.806 271 E CB -0.330 29.383 29.700 0.021 0.000 0.750 271 E HN 0.363 nan 8.360 nan 0.000 0.458 272 I N 1.411 121.994 120.570 0.022 0.000 2.202 272 I HA -0.227 3.837 4.170 -0.177 0.000 0.242 272 I C 2.494 178.623 176.117 0.020 0.000 1.091 272 I CA 0.843 62.153 61.300 0.016 0.000 1.368 272 I CB -0.112 37.898 38.000 0.015 0.000 1.058 272 I HN 0.014 nan 8.210 nan 0.000 0.410 273 V N 0.745 120.672 119.914 0.021 0.000 2.427 273 V HA -0.274 3.739 4.120 -0.177 0.000 0.248 273 V C 2.471 178.593 176.094 0.047 0.000 1.051 273 V CA 2.058 64.368 62.300 0.016 0.000 1.048 273 V CB -0.659 31.138 31.823 -0.044 0.000 0.666 273 V HN 0.507 nan 8.190 nan 0.000 0.456 274 E N 0.722 120.961 120.200 0.064 0.000 2.077 274 E HA -0.233 4.011 4.350 -0.177 0.000 0.193 274 E C 2.190 178.765 176.600 -0.041 0.000 0.989 274 E CA 1.451 57.883 56.400 0.053 0.000 0.800 274 E CB -0.265 29.499 29.700 0.107 0.000 0.746 274 E HN 0.548 nan 8.360 nan 0.000 0.452 275 A N 1.030 123.839 122.820 -0.019 0.000 1.972 275 A HA -0.055 4.159 4.320 -0.177 0.000 0.219 275 A C 2.339 179.884 177.584 -0.065 0.000 1.169 275 A CA 1.593 53.607 52.037 -0.038 0.000 0.635 275 A CB -0.644 18.347 19.000 -0.015 0.000 0.810 275 A HN 0.423 nan 8.150 nan 0.000 0.446 276 A N -0.323 122.475 122.820 -0.037 0.000 2.119 276 A HA 0.032 4.246 4.320 -0.177 0.000 0.217 276 A C 2.079 179.536 177.584 -0.211 0.000 1.153 276 A CA 1.834 53.863 52.037 -0.014 0.000 0.692 276 A CB -1.013 18.087 19.000 0.168 0.000 0.799 276 A HN 0.753 nan 8.150 nan 0.000 0.458 277 T N -2.524 111.757 114.554 -0.455 0.000 3.169 277 T HA 0.272 4.516 4.350 -0.177 0.000 0.250 277 T C 0.388 174.729 174.700 -0.600 0.000 1.111 277 T CA -0.035 61.428 62.100 -1.062 0.000 1.010 277 T CB -0.290 67.802 68.868 -1.293 0.000 0.984 277 T HN 0.380 nan 8.240 nan 0.000 0.537 278 K N 2.077 122.304 120.400 -0.289 0.000 2.375 278 K HA 0.527 4.741 4.320 -0.177 0.000 0.249 278 K C -3.090 173.457 176.600 -0.089 0.000 0.942 278 K CA -2.360 53.835 56.287 -0.153 0.000 0.806 278 K CB 1.984 34.421 32.500 -0.105 0.000 1.227 278 K HN -0.020 nan 8.250 nan 0.000 0.430 279 P HA 0.258 nan 4.420 nan 0.000 0.292 279 P C -0.795 176.490 177.300 -0.026 0.000 1.326 279 P CA -0.447 62.636 63.100 -0.029 0.000 0.787 279 P CB 1.132 32.822 31.700 -0.016 0.000 0.903 280 G N 1.151 109.937 108.800 -0.023 0.000 2.020 280 G HA2 0.493 4.347 3.960 -0.177 0.000 0.304 280 G HA3 0.493 4.347 3.960 -0.177 0.000 0.304 280 G C -0.246 174.644 174.900 -0.018 0.000 1.500 280 G CA -0.044 45.044 45.100 -0.021 0.000 1.120 280 G HN 0.627 nan 8.290 nan 0.000 0.555 281 G N 2.384 111.172 108.800 -0.019 0.000 2.938 281 G HA2 0.639 4.492 3.960 -0.177 0.000 0.144 281 G HA3 0.639 4.492 3.960 -0.177 0.000 0.144 281 G C -2.080 172.807 174.900 -0.021 0.000 1.366 281 G CA 0.197 45.283 45.100 -0.023 0.000 0.852 281 G HN 0.700 nan 8.290 nan 0.000 0.638 282 P HA 0.413 nan 4.420 nan 0.000 0.306 282 P C -1.003 176.299 177.300 0.002 0.000 1.309 282 P CA -0.565 62.528 63.100 -0.011 0.000 0.759 282 P CB 0.647 32.337 31.700 -0.018 0.000 1.314 283 K N -0.184 120.221 120.400 0.008 0.000 2.156 283 K HA 0.521 4.734 4.320 -0.177 0.000 0.254 283 K C -0.580 176.038 176.600 0.030 0.000 0.950 283 K CA -0.833 55.475 56.287 0.035 0.000 0.849 283 K CB 0.744 33.267 32.500 0.038 0.000 1.100 283 K HN 0.237 nan 8.250 nan 0.000 0.434 284 L N 3.141 124.404 121.223 0.068 0.000 2.360 284 L HA 0.166 4.400 4.340 -0.177 0.000 0.276 284 L C 0.396 177.296 176.870 0.049 0.000 1.121 284 L CA -0.614 54.260 54.840 0.056 0.000 0.845 284 L CB 0.485 42.598 42.059 0.090 0.000 1.143 284 L HN 0.525 nan 8.230 nan 0.000 0.452 285 M N 2.386 121.975 119.600 -0.019 0.000 2.239 285 M HA 0.101 4.474 4.480 -0.177 0.000 0.348 285 M C 1.227 177.568 176.300 0.067 0.000 1.239 285 M CA 0.501 55.780 55.300 -0.035 0.000 1.114 285 M CB 0.443 32.945 32.600 -0.163 0.000 1.641 285 M HN 0.896 nan 8.290 nan 0.000 0.453 286 G N 2.905 111.769 108.800 0.107 0.000 2.179 286 G HA2 -0.155 3.699 3.960 -0.177 0.000 0.257 286 G HA3 -0.155 3.699 3.960 -0.177 0.000 0.257 286 G C -0.279 174.752 174.900 0.218 0.000 1.010 286 G CA 0.055 45.277 45.100 0.204 0.000 0.736 286 G HN 0.589 nan 8.290 nan 0.000 0.513 287 V N 0.002 120.009 119.914 0.155 0.000 2.487 287 V HA 0.889 4.903 4.120 -0.177 0.000 0.298 287 V C 0.828 176.998 176.094 0.126 0.000 1.028 287 V CA 0.406 62.754 62.300 0.081 0.000 0.860 287 V CB 1.184 33.037 31.823 0.050 0.000 0.991 287 V HN 2.073 nan 8.190 nan 0.000 0.427 288 G N 3.061 111.946 108.800 0.143 0.000 2.690 288 G HA2 0.008 3.862 3.960 -0.177 0.000 0.686 288 G HA3 0.008 3.862 3.960 -0.177 0.000 0.686 288 G C -1.069 173.984 174.900 0.255 0.000 1.277 288 G CA -0.358 44.853 45.100 0.185 0.000 0.799 288 G HN 1.195 nan 8.290 nan 0.000 0.613 289 H N 0.654 119.808 119.070 0.139 0.000 3.094 289 H HA 0.374 4.823 4.556 -0.178 0.000 0.346 289 H C 1.171 176.558 175.328 0.098 0.000 1.238 289 H CA -0.400 55.736 56.048 0.147 0.000 1.209 289 H CB 1.577 31.493 29.762 0.256 0.000 1.911 289 H HN 0.671 nan 8.280 nan 0.000 0.540 290 R N 1.896 122.311 120.500 -0.142 0.000 2.148 290 R HA -0.033 4.201 4.340 -0.177 0.000 0.227 290 R C 0.662 177.004 176.300 0.070 0.000 1.103 290 R CA 1.774 57.844 56.100 -0.050 0.000 0.983 290 R CB 0.382 30.596 30.300 -0.144 0.000 0.874 290 R HN 0.342 nan 8.270 nan 0.000 0.451 291 V N -1.004 119.071 119.914 0.270 0.000 2.743 291 V HA 0.039 4.053 4.120 -0.177 0.000 0.237 291 V C 0.180 176.296 176.094 0.037 0.000 1.113 291 V CA 0.235 62.591 62.300 0.093 0.000 1.141 291 V CB -0.258 31.512 31.823 -0.087 0.000 0.873 291 V HN 0.039 nan 8.190 nan 0.000 0.486 292 Y N 2.469 122.902 120.300 0.223 0.000 2.496 292 Y HA 0.255 4.699 4.550 -0.178 0.000 0.334 292 Y C 1.022 176.991 175.900 0.115 0.000 1.080 292 Y CA -0.180 57.944 58.100 0.041 0.000 1.355 292 Y CB 0.298 38.671 38.460 -0.146 0.000 1.193 292 Y HN 0.041 nan 8.280 nan 0.000 0.523 293 K N 2.916 123.455 120.400 0.232 0.000 2.861 293 K HA 0.664 4.878 4.320 -0.177 0.000 0.210 293 K C -0.456 176.223 176.600 0.132 0.000 1.112 293 K CA -0.090 56.329 56.287 0.221 0.000 1.076 293 K CB 0.434 33.028 32.500 0.156 0.000 0.853 293 K HN 0.635 nan 8.250 nan 0.000 0.463 294 A N -0.273 122.506 122.820 -0.068 0.000 2.540 294 A HA 0.403 4.617 4.320 -0.177 0.000 0.291 294 A C -1.754 175.476 177.584 -0.589 0.000 1.083 294 A CA -0.848 50.783 52.037 -0.676 0.000 0.650 294 A CB 0.400 19.224 19.000 -0.293 0.000 1.292 294 A HN 0.181 nan 8.150 nan 0.000 0.435 295 Y N 1.673 121.493 120.300 -0.800 0.000 2.632 295 Y HA 0.203 4.647 4.550 -0.177 0.000 0.329 295 Y C 0.751 176.424 175.900 -0.379 0.000 1.174 295 Y CA 0.942 58.838 58.100 -0.341 0.000 1.469 295 Y CB 0.421 38.755 38.460 -0.211 0.000 1.242 295 Y HN 0.694 nan 8.280 nan 0.000 0.540 296 D N 8.597 128.816 120.400 -0.302 0.000 2.434 296 D HA -0.017 4.517 4.640 -0.177 0.000 0.252 296 D C -1.662 174.449 176.300 -0.315 0.000 1.185 296 D CA -1.667 51.913 54.000 -0.699 0.000 0.886 296 D CB 1.351 41.846 40.800 -0.509 0.000 1.148 296 D HN 0.350 nan 8.370 nan 0.000 0.483 297 P HA -0.122 nan 4.420 nan 0.000 0.218 297 P C 1.075 178.285 177.300 -0.150 0.000 1.149 297 P CA 0.962 63.924 63.100 -0.230 0.000 0.817 297 P CB 0.331 31.877 31.700 -0.257 0.000 0.785 298 R N 0.005 120.392 120.500 -0.188 0.000 2.115 298 R HA 0.026 4.260 4.340 -0.177 0.000 0.230 298 R C 2.510 178.835 176.300 0.041 0.000 1.111 298 R CA 1.335 57.360 56.100 -0.124 0.000 0.976 298 R CB -0.921 29.225 30.300 -0.256 0.000 0.870 298 R HN 0.147 nan 8.270 nan 0.000 0.445 299 A N 1.519 124.402 122.820 0.105 0.000 1.898 299 A HA -0.181 4.032 4.320 -0.177 0.000 0.216 299 A C 2.059 179.835 177.584 0.320 0.000 1.181 299 A CA 1.334 53.586 52.037 0.358 0.000 0.620 299 A CB -0.305 18.944 19.000 0.416 0.000 0.819 299 A HN 0.208 nan 8.150 nan 0.000 0.442 300 K N -0.199 120.328 120.400 0.211 0.000 2.026 300 K HA -0.107 4.107 4.320 -0.177 0.000 0.208 300 K C 1.768 178.314 176.600 -0.090 0.000 1.048 300 K CA 1.747 57.978 56.287 -0.092 0.000 0.929 300 K CB -0.320 32.029 32.500 -0.251 0.000 0.713 300 K HN 0.510 nan 8.250 nan 0.000 0.439 301 I N -0.131 120.432 120.570 -0.012 0.000 2.202 301 I HA -0.219 3.845 4.170 -0.177 0.000 0.242 301 I C 2.100 178.276 176.117 0.099 0.000 1.091 301 I CA 0.920 62.233 61.300 0.022 0.000 1.368 301 I CB -0.221 37.803 38.000 0.039 0.000 1.058 301 I HN 0.121 nan 8.210 nan 0.000 0.410 302 F N 1.801 121.768 119.950 0.028 0.000 2.259 302 F HA -0.152 4.271 4.527 -0.173 0.000 0.298 302 F C 2.498 178.329 175.800 0.051 0.000 1.088 302 F CA 1.404 59.479 58.000 0.125 0.000 1.358 302 F CB -0.225 38.892 39.000 0.195 0.000 1.040 302 F HN -0.109 nan 8.300 nan 0.000 0.505 303 K N 0.181 120.461 120.400 -0.200 0.000 2.032 303 K HA -0.214 3.999 4.320 -0.177 0.000 0.209 303 K C 1.932 178.315 176.600 -0.361 0.000 1.048 303 K CA 1.825 57.682 56.287 -0.716 0.000 0.927 303 K CB -0.149 31.672 32.500 -1.132 0.000 0.712 303 K HN 0.120 nan 8.250 nan 0.000 0.441 304 E N 0.255 120.312 120.200 -0.238 0.000 2.077 304 E HA -0.184 4.060 4.350 -0.177 0.000 0.193 304 E C 1.790 178.275 176.600 -0.191 0.000 0.989 304 E CA 0.925 57.221 56.400 -0.173 0.000 0.800 304 E CB -0.414 29.217 29.700 -0.115 0.000 0.746 304 E HN 0.393 nan 8.360 nan 0.000 0.452 305 F N 2.190 121.978 119.950 -0.270 0.000 2.095 305 F HA -0.198 4.223 4.527 -0.176 0.000 0.298 305 F C 2.302 177.927 175.800 -0.292 0.000 1.104 305 F CA 1.602 59.424 58.000 -0.296 0.000 1.232 305 F CB -0.365 38.349 39.000 -0.477 0.000 0.987 305 F HN -0.133 nan 8.300 nan 0.000 0.475 306 S N 0.702 116.027 115.700 -0.625 0.000 2.383 306 S HA -0.229 4.135 4.470 -0.177 0.000 0.229 306 S C 2.117 176.315 174.600 -0.671 0.000 1.030 306 S CA 1.325 59.225 58.200 -0.501 0.000 1.002 306 S CB -0.527 62.687 63.200 0.023 0.000 0.829 306 S HN 0.450 nan 8.310 nan 0.000 0.467 307 R N 1.213 121.278 120.500 -0.726 0.000 2.083 307 R HA -0.151 4.083 4.340 -0.177 0.000 0.237 307 R C 1.440 177.389 176.300 -0.586 0.000 1.137 307 R CA 1.885 57.443 56.100 -0.905 0.000 0.951 307 R CB -0.369 29.683 30.300 -0.413 0.000 0.851 307 R HN 0.276 nan 8.270 nan 0.000 0.434 308 D N -0.515 119.602 120.400 -0.472 0.000 2.117 308 D HA -0.205 4.329 4.640 -0.177 0.000 0.197 308 D C 1.601 177.666 176.300 -0.391 0.000 0.987 308 D CA 1.189 54.963 54.000 -0.377 0.000 0.829 308 D CB -0.457 40.162 40.800 -0.302 0.000 0.961 308 D HN 0.314 nan 8.370 nan 0.000 0.460 309 Y N 1.541 121.465 120.300 -0.627 0.000 2.145 309 Y HA -0.235 4.209 4.550 -0.176 0.000 0.286 309 Y C 2.267 178.071 175.900 -0.161 0.000 1.145 309 Y CA 1.728 59.615 58.100 -0.354 0.000 1.148 309 Y CB -0.157 38.021 38.460 -0.471 0.000 0.981 309 Y HN -0.059 nan 8.280 nan 0.000 0.507 310 V N -1.606 118.237 119.914 -0.119 0.000 2.809 310 V HA -0.012 4.001 4.120 -0.177 0.000 0.256 310 V C 2.221 178.176 176.094 -0.232 0.000 1.080 310 V CA 1.317 63.540 62.300 -0.129 0.000 1.102 310 V CB -1.505 30.255 31.823 -0.104 0.000 0.705 310 V HN 0.401 nan 8.190 nan 0.000 0.475 311 A N 0.678 123.321 122.820 -0.295 0.000 1.933 311 A HA -0.171 4.043 4.320 -0.177 0.000 0.218 311 A C 2.403 179.806 177.584 -0.302 0.000 1.175 311 A CA 2.225 54.107 52.037 -0.257 0.000 0.628 311 A CB -0.480 18.372 19.000 -0.246 0.000 0.814 311 A HN 0.631 nan 8.150 nan 0.000 0.444 312 K N -1.827 118.312 120.400 -0.435 0.000 2.067 312 K HA 0.026 4.240 4.320 -0.177 0.000 0.203 312 K C 1.051 177.213 176.600 -0.731 0.000 1.048 312 K CA 1.204 57.102 56.287 -0.649 0.000 0.954 312 K CB -0.139 31.792 32.500 -0.948 0.000 0.737 312 K HN 0.378 nan 8.250 nan 0.000 0.444 313 F N 0.498 120.194 119.950 -0.423 0.000 2.749 313 F HA 0.315 4.736 4.527 -0.176 0.000 0.300 313 F C 0.904 176.527 175.800 -0.295 0.000 1.103 313 F CA 0.434 58.205 58.000 -0.382 0.000 1.342 313 F CB 0.799 39.464 39.000 -0.559 0.000 1.098 313 F HN 0.285 nan 8.300 nan 0.000 0.586 314 G N 0.780 109.495 108.800 -0.141 0.000 2.712 314 G HA2 -0.157 3.697 3.960 -0.177 0.000 0.683 314 G HA3 -0.157 3.697 3.960 -0.177 0.000 0.683 314 G C -1.109 173.668 174.900 -0.204 0.000 1.320 314 G CA -0.489 44.530 45.100 -0.134 0.000 0.847 314 G HN 0.173 nan 8.290 nan 0.000 0.553 315 D N 0.533 120.859 120.400 -0.125 0.000 2.739 315 D HA 0.474 5.008 4.640 -0.177 0.000 0.335 315 D C -0.387 175.946 176.300 0.055 0.000 1.216 315 D CA -1.103 52.871 54.000 -0.043 0.000 0.808 315 D CB 0.799 41.699 40.800 0.166 0.000 1.121 315 D HN 0.135 nan 8.370 nan 0.000 0.499 316 P HA -0.140 nan 4.420 nan 0.000 0.219 316 P C 0.813 178.249 177.300 0.228 0.000 1.146 316 P CA 0.942 64.100 63.100 0.097 0.000 0.808 316 P CB 0.497 32.240 31.700 0.071 0.000 0.779 317 Q N -1.036 119.014 119.800 0.417 0.000 2.247 317 Q HA 0.144 4.378 4.340 -0.177 0.000 0.204 317 Q C 0.070 176.220 176.000 0.250 0.000 0.872 317 Q CA -0.019 55.985 55.803 0.335 0.000 0.951 317 Q CB -0.799 28.154 28.738 0.358 0.000 1.099 317 Q HN 0.260 nan 8.270 nan 0.000 0.501 318 N N -1.143 117.724 118.700 0.279 0.000 2.741 318 N HA -0.236 4.398 4.740 -0.177 0.000 0.251 318 N C 0.239 175.842 175.510 0.156 0.000 1.112 318 N CA 0.471 53.639 53.050 0.197 0.000 0.750 318 N CB -1.346 37.211 38.487 0.117 0.000 1.119 318 N HN 0.234 nan 8.380 nan 0.000 0.561 319 L N -0.987 120.366 121.223 0.217 0.000 2.046 319 L HA -0.136 4.098 4.340 -0.177 0.000 0.208 319 L C 2.135 179.006 176.870 0.001 0.000 1.077 319 L CA 1.647 56.514 54.840 0.045 0.000 0.747 319 L CB -0.391 41.653 42.059 -0.025 0.000 0.896 319 L HN 0.282 nan 8.230 nan 0.000 0.432 320 F N 0.721 120.744 119.950 0.123 0.000 2.186 320 F HA -0.137 4.284 4.527 -0.178 0.000 0.299 320 F C 2.449 178.307 175.800 0.097 0.000 1.090 320 F CA 1.044 59.145 58.000 0.169 0.000 1.307 320 F CB -0.201 38.946 39.000 0.245 0.000 1.019 320 F HN -0.021 nan 8.300 nan 0.000 0.489 321 A N 0.656 123.555 122.820 0.130 0.000 1.877 321 A HA -0.155 4.059 4.320 -0.177 0.000 0.216 321 A C 2.279 179.800 177.584 -0.105 0.000 1.186 321 A CA 2.019 54.074 52.037 0.030 0.000 0.620 321 A CB -1.156 17.898 19.000 0.090 0.000 0.822 321 A HN 0.470 nan 8.150 nan 0.000 0.443 322 I N -0.360 120.112 120.570 -0.163 0.000 2.163 322 I HA -0.251 3.813 4.170 -0.177 0.000 0.240 322 I C 3.007 178.852 176.117 -0.454 0.000 1.081 322 I CA 1.056 62.209 61.300 -0.245 0.000 1.353 322 I CB -0.421 37.451 38.000 -0.213 0.000 1.054 322 I HN 0.347 nan 8.210 nan 0.000 0.407 323 A N 0.175 122.484 122.820 -0.852 0.000 1.908 323 A HA -0.217 3.996 4.320 -0.177 0.000 0.218 323 A C 2.487 179.825 177.584 -0.410 0.000 1.181 323 A CA 2.331 53.729 52.037 -1.065 0.000 0.627 323 A CB -0.810 17.325 19.000 -1.442 0.000 0.818 323 A HN 0.395 nan 8.150 nan 0.000 0.445 324 S N -0.249 115.276 115.700 -0.292 0.000 2.368 324 S HA -0.051 4.312 4.470 -0.177 0.000 0.225 324 S C 2.307 176.898 174.600 -0.014 0.000 1.030 324 S CA 1.209 59.375 58.200 -0.056 0.000 0.999 324 S CB -0.477 62.599 63.200 -0.206 0.000 0.844 324 S HN 0.812 nan 8.310 nan 0.000 0.459 325 A N 1.408 124.192 122.820 -0.061 0.000 1.902 325 A HA -0.046 4.168 4.320 -0.177 0.000 0.217 325 A C 2.075 179.655 177.584 -0.006 0.000 1.181 325 A CA 1.219 53.242 52.037 -0.023 0.000 0.623 325 A CB -0.693 18.289 19.000 -0.030 0.000 0.818 325 A HN 0.484 nan 8.150 nan 0.000 0.443 326 I N -0.706 119.858 120.570 -0.009 0.000 2.202 326 I HA -0.239 3.825 4.170 -0.177 0.000 0.242 326 I C 2.622 178.757 176.117 0.031 0.000 1.091 326 I CA 1.651 62.973 61.300 0.037 0.000 1.368 326 I CB -0.351 37.711 38.000 0.103 0.000 1.058 326 I HN 0.513 nan 8.210 nan 0.000 0.410 327 E N 1.034 121.281 120.200 0.079 0.000 2.058 327 E HA -0.302 3.941 4.350 -0.177 0.000 0.194 327 E C 2.161 178.749 176.600 -0.021 0.000 0.997 327 E CA 1.686 58.045 56.400 -0.067 0.000 0.801 327 E CB -0.045 29.703 29.700 0.080 0.000 0.746 327 E HN 0.554 nan 8.360 nan 0.000 0.450 328 Q N -0.173 119.646 119.800 0.032 0.000 2.096 328 Q HA -0.180 4.054 4.340 -0.177 0.000 0.204 328 Q C 2.164 178.173 176.000 0.014 0.000 0.982 328 Q CA 1.420 57.245 55.803 0.035 0.000 0.850 328 Q CB 0.003 28.765 28.738 0.040 0.000 0.901 328 Q HN 0.240 nan 8.270 nan 0.000 0.422 329 E N 0.053 120.250 120.200 -0.005 0.000 2.072 329 E HA -0.123 4.121 4.350 -0.177 0.000 0.191 329 E C 2.215 178.789 176.600 -0.043 0.000 0.985 329 E CA 0.817 57.221 56.400 0.006 0.000 0.801 329 E CB -0.218 29.489 29.700 0.013 0.000 0.750 329 E HN 0.174 nan 8.360 nan 0.000 0.452 330 V N 1.677 121.461 119.914 -0.216 0.000 2.332 330 V HA -0.232 3.782 4.120 -0.177 0.000 0.248 330 V C 2.465 178.439 176.094 -0.199 0.000 1.055 330 V CA 1.393 63.398 62.300 -0.493 0.000 1.038 330 V CB -0.466 30.977 31.823 -0.632 0.000 0.651 330 V HN 0.210 nan 8.190 nan 0.000 0.450 331 L N 0.524 121.703 121.223 -0.074 0.000 2.291 331 L HA -0.063 4.171 4.340 -0.177 0.000 0.214 331 L C 2.332 179.246 176.870 0.073 0.000 1.120 331 L CA 1.512 56.369 54.840 0.029 0.000 0.799 331 L CB -0.456 41.662 42.059 0.099 0.000 0.925 331 L HN 0.542 nan 8.230 nan 0.000 0.446 332 S N -3.096 112.650 115.700 0.078 0.000 2.517 332 S HA -0.046 4.318 4.470 -0.177 0.000 0.214 332 S C 0.635 175.307 174.600 0.120 0.000 0.991 332 S CA -0.334 57.916 58.200 0.084 0.000 0.906 332 S CB -0.351 62.882 63.200 0.056 0.000 0.789 332 S HN 0.412 nan 8.310 nan 0.000 0.513 333 H N 3.789 122.927 119.070 0.114 0.000 2.723 333 H HA 0.309 4.759 4.556 -0.177 0.000 0.294 333 H C -1.472 173.992 175.328 0.227 0.000 1.079 333 H CA -1.756 54.416 56.048 0.206 0.000 1.411 333 H CB 1.272 31.255 29.762 0.368 0.000 1.439 333 H HN 0.027 nan 8.280 nan 0.000 0.474 334 P HA -0.279 nan 4.420 nan 0.000 0.216 334 P C 1.284 178.728 177.300 0.239 0.000 1.150 334 P CA 1.321 64.536 63.100 0.192 0.000 0.843 334 P CB -0.002 31.760 31.700 0.104 0.000 0.787 335 Y N 0.404 120.853 120.300 0.248 0.000 2.069 335 Y HA -0.289 4.154 4.550 -0.178 0.000 0.278 335 Y C 2.261 178.053 175.900 -0.181 0.000 1.175 335 Y CA 2.011 60.100 58.100 -0.019 0.000 1.134 335 Y CB -1.185 37.155 38.460 -0.200 0.000 0.965 335 Y HN -0.230 nan 8.280 nan 0.000 0.498 336 F N 0.358 120.375 119.950 0.111 0.000 2.146 336 F HA -0.220 4.201 4.527 -0.178 0.000 0.298 336 F C 2.513 178.164 175.800 -0.248 0.000 1.096 336 F CA 1.783 59.721 58.000 -0.103 0.000 1.275 336 F CB -0.868 38.085 39.000 -0.078 0.000 1.008 336 F HN 0.102 nan 8.300 nan 0.000 0.480 337 Q N 0.152 119.957 119.800 0.009 0.000 2.061 337 Q HA -0.278 3.956 4.340 -0.177 0.000 0.204 337 Q C 2.145 178.124 176.000 -0.035 0.000 0.984 337 Q CA 1.918 57.687 55.803 -0.057 0.000 0.846 337 Q CB -0.513 28.254 28.738 0.049 0.000 0.902 337 Q HN 0.539 nan 8.270 nan 0.000 0.421 338 Q N 0.200 119.967 119.800 -0.055 0.000 2.226 338 Q HA -0.099 4.135 4.340 -0.177 0.000 0.204 338 Q C 1.367 177.291 176.000 -0.127 0.000 0.975 338 Q CA 0.972 56.730 55.803 -0.075 0.000 0.866 338 Q CB 0.086 28.770 28.738 -0.089 0.000 0.915 338 Q HN 0.211 nan 8.270 nan 0.000 0.440 339 R N 0.139 120.503 120.500 -0.227 0.000 2.393 339 R HA 0.092 4.326 4.340 -0.177 0.000 0.244 339 R C -0.376 175.873 176.300 -0.085 0.000 0.920 339 R CA -0.117 55.850 56.100 -0.223 0.000 1.076 339 R CB 0.630 30.661 30.300 -0.448 0.000 1.119 339 R HN -0.082 nan 8.270 nan 0.000 0.524 340 K N 0.635 121.024 120.400 -0.019 0.000 3.096 340 K HA -0.185 4.028 4.320 -0.177 0.000 0.266 340 K C -0.908 175.785 176.600 0.155 0.000 1.043 340 K CA 0.803 57.192 56.287 0.170 0.000 0.758 340 K CB -1.972 30.659 32.500 0.218 0.000 1.260 340 K HN 0.321 nan 8.250 nan 0.000 0.481 341 L N 1.363 122.544 121.223 -0.070 0.000 2.264 341 L HA 0.390 4.623 4.340 -0.177 0.000 0.287 341 L C 0.122 176.883 176.870 -0.182 0.000 1.039 341 L CA -0.684 54.176 54.840 0.035 0.000 0.829 341 L CB 0.292 42.460 42.059 0.182 0.000 1.211 341 L HN -0.016 nan 8.230 nan 0.000 0.427 342 Y N 2.839 123.145 120.300 0.011 0.000 2.602 342 Y HA 0.515 4.958 4.550 -0.178 0.000 0.342 342 Y C -2.220 173.484 175.900 -0.327 0.000 1.029 342 Y CA -2.904 55.095 58.100 -0.168 0.000 1.080 342 Y CB 1.212 39.565 38.460 -0.179 0.000 1.284 342 Y HN 0.386 nan 8.280 nan 0.000 0.485 343 P HA 0.061 nan 4.420 nan 0.000 0.268 343 P C -1.101 175.972 177.300 -0.378 0.000 1.205 343 P CA -0.019 62.719 63.100 -0.604 0.000 0.771 343 P CB 0.426 31.520 31.700 -1.009 0.000 0.858 344 N N 0.716 119.377 118.700 -0.066 0.000 2.525 344 N HA 0.170 4.804 4.740 -0.177 0.000 0.288 344 N C 0.697 176.325 175.510 0.197 0.000 1.242 344 N CA -0.917 52.166 53.050 0.055 0.000 0.905 344 N CB -0.090 38.529 38.487 0.221 0.000 1.258 344 N HN 0.046 nan 8.380 nan 0.000 0.551 345 V N 0.007 120.036 119.914 0.192 0.000 2.469 345 V HA -0.234 3.780 4.120 -0.177 0.000 0.251 345 V C 0.785 177.097 176.094 0.364 0.000 1.064 345 V CA 2.136 64.612 62.300 0.292 0.000 1.066 345 V CB -0.845 31.069 31.823 0.152 0.000 0.667 345 V HN 0.636 nan 8.190 nan 0.000 0.461 346 D N -0.687 119.890 120.400 0.296 0.000 2.263 346 D HA -0.178 4.356 4.640 -0.177 0.000 0.208 346 D C 1.768 178.202 176.300 0.223 0.000 0.971 346 D CA 1.219 55.367 54.000 0.247 0.000 0.867 346 D CB -0.313 40.600 40.800 0.187 0.000 0.929 346 D HN 0.614 nan 8.370 nan 0.000 0.492 347 F N -0.953 119.032 119.950 0.058 0.000 2.269 347 F HA -0.148 4.272 4.527 -0.178 0.000 0.301 347 F C 1.329 177.034 175.800 -0.157 0.000 1.082 347 F CA 1.274 59.198 58.000 -0.127 0.000 1.360 347 F CB 0.083 38.890 39.000 -0.322 0.000 1.041 347 F HN -0.058 nan 8.300 nan 0.000 0.512 348 W N -1.465 120.094 121.300 0.432 0.000 2.968 348 W HA 0.118 4.671 4.660 -0.179 0.000 0.253 348 W C 2.647 179.389 176.519 0.372 0.000 1.150 348 W CA 0.609 58.203 57.345 0.414 0.000 1.463 348 W CB -0.739 29.030 29.460 0.514 0.000 0.906 348 W HN -0.092 nan 8.180 nan 0.000 0.650 349 S N -0.038 115.969 115.700 0.513 0.000 2.469 349 S HA -0.037 4.327 4.470 -0.177 0.000 0.238 349 S C 1.849 176.363 174.600 -0.143 0.000 0.998 349 S CA 1.322 59.651 58.200 0.216 0.000 0.957 349 S CB -0.798 62.386 63.200 -0.027 0.000 0.764 349 S HN 0.196 nan 8.310 nan 0.000 0.514 350 G N 1.096 109.917 108.800 0.035 0.000 2.712 350 G HA2 0.184 4.038 3.960 -0.177 0.000 0.212 350 G HA3 0.184 4.038 3.960 -0.177 0.000 0.212 350 G C 1.245 176.227 174.900 0.137 0.000 1.142 350 G CA 0.317 45.434 45.100 0.028 0.000 0.789 350 G HN 0.564 nan 8.290 nan 0.000 0.535 351 I N 1.308 121.980 120.570 0.170 0.000 2.163 351 I HA -0.164 3.899 4.170 -0.177 0.000 0.240 351 I C 3.253 179.410 176.117 0.066 0.000 1.081 351 I CA 1.118 62.492 61.300 0.123 0.000 1.353 351 I CB -0.216 37.944 38.000 0.267 0.000 1.054 351 I HN 0.219 nan 8.210 nan 0.000 0.407 352 A N 0.937 123.798 122.820 0.069 0.000 1.902 352 A HA -0.194 4.019 4.320 -0.177 0.000 0.217 352 A C 2.098 179.683 177.584 0.001 0.000 1.181 352 A CA 1.501 53.473 52.037 -0.108 0.000 0.623 352 A CB -0.881 18.110 19.000 -0.015 0.000 0.818 352 A HN 0.301 nan 8.150 nan 0.000 0.443 353 F N -1.318 118.594 119.950 -0.063 0.000 2.095 353 F HA -0.166 4.254 4.527 -0.178 0.000 0.298 353 F C 2.229 178.068 175.800 0.065 0.000 1.104 353 F CA 0.802 58.720 58.000 -0.136 0.000 1.232 353 F CB -1.550 37.073 39.000 -0.629 0.000 0.987 353 F HN 0.459 nan 8.300 nan 0.000 0.475 354 Y N -0.559 119.891 120.300 0.250 0.000 2.128 354 Y HA -0.337 4.106 4.550 -0.178 0.000 0.284 354 Y C 2.430 178.395 175.900 0.108 0.000 1.154 354 Y CA 1.851 60.049 58.100 0.163 0.000 1.149 354 Y CB -0.815 37.674 38.460 0.049 0.000 0.976 354 Y HN -0.004 nan 8.280 nan 0.000 0.505 355 Y N -0.482 119.969 120.300 0.252 0.000 2.352 355 Y HA -0.187 4.257 4.550 -0.176 0.000 0.292 355 Y C 2.315 178.215 175.900 -0.000 0.000 1.136 355 Y CA 1.134 59.321 58.100 0.144 0.000 1.227 355 Y CB -0.735 37.897 38.460 0.287 0.000 0.991 355 Y HN 0.229 nan 8.280 nan 0.000 0.545 356 M N -1.194 118.476 119.600 0.116 0.000 2.630 356 M HA 0.082 4.456 4.480 -0.177 0.000 0.254 356 M C 1.574 177.783 176.300 -0.153 0.000 1.092 356 M CA 1.260 56.562 55.300 0.003 0.000 1.087 356 M CB -0.186 32.468 32.600 0.090 0.000 1.453 356 M HN 0.408 nan 8.290 nan 0.000 0.509 357 G N 1.512 110.242 108.800 -0.118 0.000 2.132 357 G HA2 -0.227 3.626 3.960 -0.177 0.000 0.234 357 G HA3 -0.227 3.626 3.960 -0.177 0.000 0.234 357 G C 0.035 174.932 174.900 -0.006 0.000 0.989 357 G CA -0.467 44.521 45.100 -0.186 0.000 0.676 357 G HN 0.453 nan 8.290 nan 0.000 0.522 358 I N 2.154 122.778 120.570 0.090 0.000 2.379 358 I HA 0.235 4.299 4.170 -0.177 0.000 0.290 358 I C -1.633 174.586 176.117 0.170 0.000 1.063 358 I CA -2.058 59.300 61.300 0.098 0.000 1.351 358 I CB 0.997 39.026 38.000 0.049 0.000 1.410 358 I HN -0.097 nan 8.210 nan 0.000 0.505 359 P HA -0.008 nan 4.420 nan 0.000 0.269 359 P C 0.087 177.430 177.300 0.072 0.000 1.215 359 P CA -0.009 63.155 63.100 0.107 0.000 0.780 359 P CB 0.369 32.252 31.700 0.305 0.000 0.898 360 Y N 1.168 121.348 120.300 -0.201 0.000 2.151 360 Y HA -0.253 4.190 4.550 -0.179 0.000 0.284 360 Y C 2.212 177.850 175.900 -0.437 0.000 1.166 360 Y CA 1.923 59.558 58.100 -0.775 0.000 1.163 360 Y CB -1.207 36.960 38.460 -0.489 0.000 0.974 360 Y HN 0.501 nan 8.280 nan 0.000 0.511 361 E N -1.292 118.899 120.200 -0.015 0.000 2.472 361 E HA -0.209 4.034 4.350 -0.177 0.000 0.200 361 E C 0.796 177.183 176.600 -0.356 0.000 1.046 361 E CA 1.167 57.461 56.400 -0.176 0.000 0.871 361 E CB -0.596 28.909 29.700 -0.325 0.000 0.806 361 E HN 0.571 nan 8.360 nan 0.000 0.533 362 Y N -0.966 119.372 120.300 0.063 0.000 2.457 362 Y HA 0.147 4.593 4.550 -0.174 0.000 0.263 362 Y C 1.216 177.203 175.900 0.145 0.000 1.164 362 Y CA -0.277 57.871 58.100 0.080 0.000 1.274 362 Y CB 0.176 38.660 38.460 0.041 0.000 1.097 362 Y HN -0.014 nan 8.280 nan 0.000 0.523 363 F N 0.212 120.174 119.950 0.020 0.000 2.075 363 F HA -0.218 4.201 4.527 -0.181 0.000 0.297 363 F C 2.343 178.161 175.800 0.030 0.000 1.113 363 F CA 1.579 59.584 58.000 0.009 0.000 1.218 363 F CB -1.327 37.792 39.000 0.198 0.000 0.984 363 F HN -0.067 nan 8.300 nan 0.000 0.472 364 T N 0.527 115.231 114.554 0.250 0.000 2.777 364 T HA -0.082 4.161 4.350 -0.177 0.000 0.266 364 T C -0.524 174.270 174.700 0.156 0.000 1.040 364 T CA 1.239 63.438 62.100 0.165 0.000 1.141 364 T CB -1.228 67.686 68.868 0.076 0.000 0.868 364 T HN 0.078 nan 8.240 nan 0.000 0.444 365 P HA -0.014 nan 4.420 nan 0.000 0.216 365 P C 1.384 178.687 177.300 0.005 0.000 1.150 365 P CA 0.974 64.111 63.100 0.061 0.000 0.843 365 P CB -0.182 31.553 31.700 0.057 0.000 0.787 366 I N -2.503 118.022 120.570 -0.074 0.000 2.315 366 I HA -0.226 3.837 4.170 -0.177 0.000 0.248 366 I C 2.194 178.287 176.117 -0.040 0.000 1.117 366 I CA 1.104 62.247 61.300 -0.262 0.000 1.404 366 I CB -0.539 37.105 38.000 -0.593 0.000 1.071 366 I HN -0.120 nan 8.210 nan 0.000 0.419 367 F N 1.913 121.860 119.950 -0.004 0.000 2.126 367 F HA -0.293 4.121 4.527 -0.189 0.000 0.299 367 F C 2.510 178.264 175.800 -0.076 0.000 1.096 367 F CA 1.611 59.658 58.000 0.078 0.000 1.255 367 F CB -0.229 38.823 39.000 0.088 0.000 0.997 367 F HN 0.018 nan 8.300 nan 0.000 0.479 368 A N 0.408 123.308 122.820 0.132 0.000 1.908 368 A HA -0.244 3.970 4.320 -0.177 0.000 0.218 368 A C 2.246 179.705 177.584 -0.208 0.000 1.181 368 A CA 2.043 54.063 52.037 -0.028 0.000 0.627 368 A CB -0.862 18.265 19.000 0.211 0.000 0.818 368 A HN 0.532 nan 8.150 nan 0.000 0.445 369 M N -0.819 118.679 119.600 -0.170 0.000 2.149 369 M HA -0.143 4.230 4.480 -0.177 0.000 0.261 369 M C 2.506 178.645 176.300 -0.269 0.000 1.064 369 M CA 1.744 56.918 55.300 -0.211 0.000 1.102 369 M CB -0.232 32.161 32.600 -0.345 0.000 1.369 369 M HN 0.547 nan 8.290 nan 0.000 0.408 370 S N 0.012 115.505 115.700 -0.343 0.000 2.336 370 S HA -0.113 4.250 4.470 -0.177 0.000 0.216 370 S C 1.963 176.340 174.600 -0.372 0.000 1.032 370 S CA 1.158 59.130 58.200 -0.379 0.000 0.973 370 S CB -0.093 62.887 63.200 -0.366 0.000 0.888 370 S HN 0.311 nan 8.310 nan 0.000 0.455 371 R N 1.135 121.212 120.500 -0.705 0.000 2.235 371 R HA 0.125 4.359 4.340 -0.177 0.000 0.213 371 R C 1.987 177.642 176.300 -1.075 0.000 1.059 371 R CA 1.085 56.616 56.100 -0.948 0.000 0.997 371 R CB -1.287 28.232 30.300 -1.302 0.000 0.884 371 R HN 0.364 nan 8.270 nan 0.000 0.462 372 V N -0.452 118.995 119.914 -0.778 0.000 2.469 372 V HA -0.195 3.819 4.120 -0.177 0.000 0.251 372 V C 1.903 177.900 176.094 -0.163 0.000 1.064 372 V CA 2.096 64.186 62.300 -0.349 0.000 1.066 372 V CB -0.303 31.487 31.823 -0.055 0.000 0.667 372 V HN 0.295 nan 8.190 nan 0.000 0.461 373 V N 0.697 120.513 119.914 -0.163 0.000 2.427 373 V HA -0.061 3.953 4.120 -0.177 0.000 0.248 373 V C 2.482 178.481 176.094 -0.159 0.000 1.051 373 V CA 2.411 64.625 62.300 -0.142 0.000 1.048 373 V CB -0.784 30.940 31.823 -0.165 0.000 0.666 373 V HN 0.625 nan 8.190 nan 0.000 0.456 374 G N -1.020 107.662 108.800 -0.197 0.000 2.418 374 G HA2 -0.243 3.611 3.960 -0.177 0.000 0.217 374 G HA3 -0.243 3.611 3.960 -0.177 0.000 0.217 374 G C 1.336 176.334 174.900 0.163 0.000 1.158 374 G CA 0.944 46.009 45.100 -0.058 0.000 0.771 374 G HN 0.573 nan 8.290 nan 0.000 0.545 375 W N 1.048 122.356 121.300 0.014 0.000 2.333 375 W HA -0.141 4.490 4.660 -0.048 0.000 0.316 375 W C 2.886 179.328 176.519 -0.129 0.000 1.215 375 W CA 1.856 59.179 57.345 -0.036 0.000 1.278 375 W CB -1.428 27.991 29.460 -0.069 0.000 1.154 375 W HN 0.216 nan 8.180 nan 0.000 0.486 376 V N -0.484 119.470 119.914 0.066 0.000 2.407 376 V HA -0.104 3.909 4.120 -0.177 0.000 0.248 376 V C 2.255 178.213 176.094 -0.226 0.000 1.055 376 V CA 2.270 64.483 62.300 -0.146 0.000 1.049 376 V CB -1.679 30.032 31.823 -0.187 0.000 0.662 376 V HN 0.024 nan 8.190 nan 0.000 0.455 377 A N -0.458 122.254 122.820 -0.180 0.000 1.902 377 A HA -0.223 3.991 4.320 -0.177 0.000 0.217 377 A C 2.204 179.673 177.584 -0.192 0.000 1.181 377 A CA 1.940 53.842 52.037 -0.225 0.000 0.623 377 A CB -1.076 17.787 19.000 -0.229 0.000 0.818 377 A HN 0.748 nan 8.150 nan 0.000 0.443 378 H N -0.833 118.169 119.070 -0.113 0.000 2.353 378 H HA -0.077 4.375 4.556 -0.173 0.000 0.300 378 H C 2.334 177.485 175.328 -0.296 0.000 1.090 378 H CA 1.759 57.749 56.048 -0.097 0.000 1.327 378 H CB -0.212 29.550 29.762 -0.000 0.000 1.383 378 H HN 0.300 nan 8.280 nan 0.000 0.508 379 V N 1.418 121.141 119.914 -0.317 0.000 2.261 379 V HA -0.252 3.762 4.120 -0.177 0.000 0.246 379 V C 2.832 178.590 176.094 -0.560 0.000 1.047 379 V CA 1.424 63.373 62.300 -0.586 0.000 1.015 379 V CB -0.642 30.736 31.823 -0.740 0.000 0.642 379 V HN 0.269 nan 8.190 nan 0.000 0.446 380 L N -0.200 120.771 121.223 -0.420 0.000 2.079 380 L HA -0.229 4.004 4.340 -0.177 0.000 0.210 380 L C 2.583 179.480 176.870 0.045 0.000 1.081 380 L CA 2.054 56.779 54.840 -0.192 0.000 0.752 380 L CB -0.626 41.241 42.059 -0.321 0.000 0.896 380 L HN 0.459 nan 8.230 nan 0.000 0.433 381 E N -0.279 119.930 120.200 0.015 0.000 2.051 381 E HA -0.288 3.956 4.350 -0.177 0.000 0.192 381 E C 2.237 178.957 176.600 0.200 0.000 0.991 381 E CA 1.371 57.837 56.400 0.109 0.000 0.799 381 E CB -0.189 29.553 29.700 0.071 0.000 0.748 381 E HN 0.413 nan 8.360 nan 0.000 0.449 382 Y N -0.202 120.149 120.300 0.085 0.000 2.181 382 Y HA -0.220 4.231 4.550 -0.164 0.000 0.288 382 Y C 1.636 177.689 175.900 0.256 0.000 1.146 382 Y CA 1.607 59.815 58.100 0.179 0.000 1.164 382 Y CB -0.289 38.282 38.460 0.185 0.000 0.982 382 Y HN 0.231 nan 8.280 nan 0.000 0.515 383 W N 1.050 122.375 121.300 0.042 0.000 2.538 383 W HA -0.101 4.454 4.660 -0.174 0.000 0.254 383 W C 1.821 178.326 176.519 -0.023 0.000 1.249 383 W CA 0.873 58.159 57.345 -0.099 0.000 1.253 383 W CB -0.605 28.719 29.460 -0.226 0.000 1.130 383 W HN 0.195 nan 8.180 nan 0.000 0.618 384 E N -0.563 119.786 120.200 0.247 0.000 2.347 384 E HA -0.133 4.111 4.350 -0.177 0.000 0.196 384 E C 0.350 176.989 176.600 0.065 0.000 1.008 384 E CA 0.884 57.395 56.400 0.185 0.000 0.852 384 E CB -0.155 29.639 29.700 0.156 0.000 0.783 384 E HN 0.123 nan 8.360 nan 0.000 0.505 385 N N 0.794 119.468 118.700 -0.043 0.000 2.732 385 N HA -0.003 4.631 4.740 -0.177 0.000 0.230 385 N C -1.386 173.930 175.510 -0.323 0.000 1.487 385 N CA -0.237 52.737 53.050 -0.127 0.000 0.765 385 N CB -0.203 38.225 38.487 -0.099 0.000 1.384 385 N HN -0.140 nan 8.380 nan 0.000 0.530 386 N N 0.867 119.407 118.700 -0.267 0.000 2.518 386 N HA 0.359 4.992 4.740 -0.177 0.000 0.266 386 N C -0.592 174.764 175.510 -0.256 0.000 1.196 386 N CA 0.083 52.924 53.050 -0.349 0.000 0.947 386 N CB 0.594 39.021 38.487 -0.100 0.000 1.098 386 N HN 0.331 nan 8.380 nan 0.000 0.450 387 R N 3.514 123.885 120.500 -0.216 0.000 2.522 387 R HA 0.414 4.648 4.340 -0.177 0.000 0.283 387 R C -1.217 175.071 176.300 -0.021 0.000 1.074 387 R CA -0.571 55.470 56.100 -0.098 0.000 0.925 387 R CB 0.471 30.689 30.300 -0.137 0.000 1.205 387 R HN 0.709 nan 8.270 nan 0.000 0.436 388 I N 4.732 125.305 120.570 0.004 0.000 2.710 388 I HA 0.141 4.205 4.170 -0.177 0.000 0.286 388 I C -0.544 175.554 176.117 -0.031 0.000 1.181 388 I CA 0.044 61.376 61.300 0.054 0.000 1.430 388 I CB 0.311 38.349 38.000 0.063 0.000 1.367 388 I HN 0.588 nan 8.210 nan 0.000 0.577 389 F N 7.362 127.376 119.950 0.106 0.000 2.495 389 F HA 0.252 4.683 4.527 -0.160 0.000 0.365 389 F C 0.912 176.740 175.800 0.047 0.000 1.090 389 F CA 0.232 58.276 58.000 0.073 0.000 1.235 389 F CB 0.338 39.346 39.000 0.013 0.000 1.119 389 F HN 0.368 nan 8.300 nan 0.000 0.562 390 R N 3.380 123.991 120.500 0.185 0.000 2.701 390 R HA 0.237 4.470 4.340 -0.177 0.000 0.281 390 R C -2.232 174.140 176.300 0.120 0.000 1.367 390 R CA -1.233 54.938 56.100 0.120 0.000 1.510 390 R CB 0.174 30.514 30.300 0.068 0.000 1.306 390 R HN 0.462 nan 8.270 nan 0.000 0.682 391 P HA 0.257 nan 4.420 nan 0.000 0.277 391 P C -0.498 176.853 177.300 0.084 0.000 1.276 391 P CA -0.426 62.746 63.100 0.120 0.000 0.788 391 P CB 0.907 32.683 31.700 0.128 0.000 1.114 392 R N -1.803 118.742 120.500 0.075 0.000 2.781 392 R HA 0.840 5.074 4.340 -0.177 0.000 0.269 392 R C -1.608 174.730 176.300 0.064 0.000 1.025 392 R CA -1.134 55.005 56.100 0.064 0.000 0.914 392 R CB 1.049 31.384 30.300 0.059 0.000 1.236 392 R HN 0.503 nan 8.270 nan 0.000 0.465 393 A N 0.271 123.130 122.820 0.066 0.000 2.384 393 A HA 0.642 4.855 4.320 -0.177 0.000 0.312 393 A C -1.257 176.377 177.584 0.083 0.000 1.113 393 A CA -0.805 51.273 52.037 0.069 0.000 0.779 393 A CB 1.910 20.951 19.000 0.070 0.000 1.307 393 A HN 0.770 nan 8.150 nan 0.000 0.436 394 c N 1.468 120.115 118.600 0.079 0.000 2.281 394 c HA 0.620 5.084 4.570 -0.177 0.000 0.325 394 c C -0.459 173.705 174.090 0.123 0.000 1.282 394 c CA -0.670 55.716 56.329 0.095 0.000 1.640 394 c CB -1.002 41.544 42.510 0.061 0.000 2.288 394 c HN 0.763 nan 8.230 nan 0.000 0.507 395 Y N 6.394 126.714 120.300 0.034 0.000 2.442 395 Y HA 0.569 5.012 4.550 -0.179 0.000 0.330 395 Y C -0.032 175.886 175.900 0.030 0.000 1.129 395 Y CA 0.072 58.189 58.100 0.028 0.000 1.365 395 Y CB 0.307 38.792 38.460 0.043 0.000 1.233 395 Y HN 0.619 nan 8.280 nan 0.000 0.529 396 I N 6.859 127.099 120.570 -0.550 0.000 2.468 396 I HA 0.630 4.694 4.170 -0.177 0.000 0.284 396 I C 0.114 175.766 176.117 -0.775 0.000 1.038 396 I CA -0.379 60.647 61.300 -0.457 0.000 1.083 396 I CB 1.253 39.122 38.000 -0.219 0.000 1.223 396 I HN 0.837 nan 8.210 nan 0.000 0.443 397 G N 6.871 115.265 108.800 -0.678 0.000 2.327 397 G HA2 0.318 4.172 3.960 -0.177 0.000 0.291 397 G HA3 0.318 4.172 3.960 -0.177 0.000 0.291 397 G C -3.326 171.464 174.900 -0.183 0.000 1.290 397 G CA -0.593 44.204 45.100 -0.505 0.000 0.857 397 G HN 0.308 nan 8.290 nan 0.000 0.520 398 P HA 0.564 nan 4.420 nan 0.000 0.276 398 P C -1.129 176.097 177.300 -0.124 0.000 1.261 398 P CA 0.018 63.116 63.100 -0.002 0.000 0.800 398 P CB 1.012 32.722 31.700 0.016 0.000 1.066 399 H N -1.492 117.655 119.070 0.128 0.000 2.851 399 H HA 0.273 4.723 4.556 -0.177 0.000 0.372 399 H C -0.523 174.836 175.328 0.052 0.000 1.158 399 H CA -0.238 55.860 56.048 0.083 0.000 1.159 399 H CB 1.030 30.830 29.762 0.063 0.000 1.757 399 H HN 0.360 nan 8.280 nan 0.000 0.546 400 D N 1.148 121.641 120.400 0.154 0.000 2.746 400 D HA -0.172 4.362 4.640 -0.177 0.000 0.236 400 D C -0.537 175.809 176.300 0.076 0.000 1.129 400 D CA 0.507 54.566 54.000 0.098 0.000 0.691 400 D CB -1.089 39.764 40.800 0.089 0.000 1.077 400 D HN 0.365 nan 8.370 nan 0.000 0.432 401 L N -0.157 121.107 121.223 0.069 0.000 2.461 401 L HA 0.116 4.349 4.340 -0.177 0.000 0.272 401 L C 1.192 178.101 176.870 0.064 0.000 1.197 401 L CA 0.064 54.937 54.840 0.054 0.000 0.836 401 L CB 0.415 42.499 42.059 0.042 0.000 1.105 401 L HN -0.030 nan 8.230 nan 0.000 0.477 402 Q N 2.314 122.146 119.800 0.054 0.000 2.294 402 Q HA 0.109 4.342 4.340 -0.177 0.000 0.257 402 Q C -0.995 175.055 176.000 0.083 0.000 0.955 402 Q CA -0.209 55.637 55.803 0.071 0.000 0.936 402 Q CB 0.601 29.369 28.738 0.049 0.000 1.188 402 Q HN 0.334 nan 8.270 nan 0.000 0.420 403 Y N 4.741 125.046 120.300 0.008 0.000 2.632 403 Y HA 0.209 4.653 4.550 -0.178 0.000 0.329 403 Y C -0.638 175.264 175.900 0.005 0.000 1.174 403 Y CA 0.313 58.416 58.100 0.005 0.000 1.469 403 Y CB 0.380 38.843 38.460 0.004 0.000 1.242 403 Y HN 0.640 nan 8.280 nan 0.000 0.540 404 I N 9.398 129.753 120.570 -0.358 0.000 2.404 404 I HA 0.296 4.360 4.170 -0.177 0.000 0.293 404 I C -2.158 173.771 176.117 -0.313 0.000 0.992 404 I CA -2.457 58.719 61.300 -0.206 0.000 1.149 404 I CB 1.600 39.506 38.000 -0.157 0.000 1.315 404 I HN 0.543 nan 8.210 nan 0.000 0.446 405 P HA -0.046 nan 4.420 nan 0.000 0.266 405 P C 0.642 177.910 177.300 -0.053 0.000 1.193 405 P CA -0.221 62.899 63.100 0.034 0.000 0.770 405 P CB 0.650 32.394 31.700 0.072 0.000 0.836 406 L N 4.228 125.440 121.223 -0.018 0.000 2.010 406 L HA -0.258 3.975 4.340 -0.177 0.000 0.219 406 L C 2.070 178.923 176.870 -0.028 0.000 1.077 406 L CA 2.213 57.033 54.840 -0.033 0.000 0.773 406 L CB -1.296 40.769 42.059 0.011 0.000 0.892 406 L HN 0.571 nan 8.230 nan 0.000 0.436 407 E N -1.415 118.780 120.200 -0.008 0.000 2.333 407 E HA -0.262 3.982 4.350 -0.177 0.000 0.198 407 E C 1.586 178.177 176.600 -0.015 0.000 1.007 407 E CA 1.324 57.719 56.400 -0.007 0.000 0.845 407 E CB -0.387 29.314 29.700 0.002 0.000 0.766 407 E HN 0.733 nan 8.360 nan 0.000 0.507 408 Q N 0.329 120.114 119.800 -0.024 0.000 2.282 408 Q HA 0.195 4.429 4.340 -0.177 0.000 0.206 408 Q C 0.260 176.236 176.000 -0.039 0.000 0.878 408 Q CA -0.243 55.544 55.803 -0.026 0.000 0.944 408 Q CB 0.598 29.323 28.738 -0.021 0.000 1.100 408 Q HN 0.154 nan 8.270 nan 0.000 0.509 409 R N 0.000 120.469 120.500 -0.051 0.000 2.786 409 R HA 0.000 4.234 4.340 -0.177 0.000 0.208 409 R CA 0.000 56.065 56.100 -0.058 0.000 0.921 409 R CB 0.000 30.252 30.300 -0.080 0.000 0.687 409 R HN 0.000 nan 8.270 nan 0.000 0.535