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 1kcx_1_A DATA FIRST_RESID 15 DATA SEQUENCE DRLLIRGGRI INDDQSFYAD VYLEDGLIKQ IGENLIVPGG VKTIEANGRM DATA SEQUENCE VIPGGIDVNT YLQKPSQGMT SADDFFQGTK AALAGGTTMI IDHVVPEPGS DATA SEQUENCE SLLTSFEKWH EAADTKSCCD YSLHVDITSW YDGVREELEV LVQDKGVNSF DATA SEQUENCE QVYMAYKDLY QMSDSQLYEA FTFLKGLGAV ILVHAENGDL IAQEQKRILE DATA SEQUENCE MGITGPEGHA LSRPEELEAE AVFRAIAIAG RINCPVYITK VMSKSAADII DATA SEQUENCE ALARKKGPLV FGEPIAASLG TDGTHYWSKN WAKAAAFVTS PPLSPDPTTP DATA SEQUENCE DYLTSLLACG DLQVTGSGHC PYSTAQKAVG KDNFTLIPEG VNGIEERMTV DATA SEQUENCE VWDKAVATGK MDENQFVAVT STNAAKIFNL YPRKGRIAVG SDADVVIWDP DATA SEQUENCE DKMKTITAKS HKSTVEYNIF EGMECHGSPL VVISQGKIVF EDGNISVSKG DATA SEQUENCE MGRFIPRKPF PEHLYQRVRI RSKVFG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 15 D HA 0.000 nan 4.640 nan 0.000 0.175 15 D C 0.000 176.276 176.300 -0.041 0.000 2.045 15 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 15 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 16 R N 0.973 121.460 120.500 -0.022 0.000 2.570 16 R HA 0.372 4.712 4.340 0.001 0.000 0.277 16 R C -0.266 176.043 176.300 0.015 0.000 1.039 16 R CA -0.125 55.951 56.100 -0.040 0.000 1.065 16 R CB 0.550 30.934 30.300 0.140 0.000 0.964 16 R HN 0.197 nan 8.270 nan 0.000 0.428 17 L N 3.788 124.991 121.223 -0.032 0.000 2.505 17 L HA 0.388 4.729 4.340 0.001 0.000 0.266 17 L C -1.847 175.102 176.870 0.131 0.000 0.954 17 L CA -0.801 54.067 54.840 0.047 0.000 0.852 17 L CB 1.952 44.010 42.059 -0.002 0.000 1.282 17 L HN 0.524 nan 8.230 nan 0.000 0.403 18 L N 5.840 127.171 121.223 0.180 0.000 2.322 18 L HA 0.679 5.020 4.340 0.001 0.000 0.281 18 L C -1.129 175.803 176.870 0.104 0.000 1.014 18 L CA -0.066 54.894 54.840 0.200 0.000 0.815 18 L CB 1.411 43.575 42.059 0.175 0.000 1.247 18 L HN 0.572 nan 8.230 nan 0.000 0.421 19 I N 5.546 126.172 120.570 0.092 0.000 2.354 19 I HA 0.458 4.629 4.170 0.001 0.000 0.286 19 I C -0.039 176.110 176.117 0.054 0.000 1.007 19 I CA -0.519 60.816 61.300 0.057 0.000 1.167 19 I CB 0.976 39.001 38.000 0.042 0.000 1.320 19 I HN 0.576 nan 8.210 nan 0.000 0.458 20 R N 3.405 123.933 120.500 0.046 0.000 2.668 20 R HA 0.529 4.870 4.340 0.001 0.000 0.279 20 R C 0.830 177.159 176.300 0.049 0.000 0.976 20 R CA -0.268 55.859 56.100 0.046 0.000 0.978 20 R CB 1.738 32.060 30.300 0.038 0.000 1.133 20 R HN 0.881 nan 8.270 nan 0.000 0.484 21 G N 0.896 109.735 108.800 0.065 0.000 2.166 21 G HA2 -0.258 3.703 3.960 0.001 0.000 0.260 21 G HA3 -0.258 3.703 3.960 0.001 0.000 0.260 21 G C 0.382 175.353 174.900 0.119 0.000 0.986 21 G CA 0.277 45.432 45.100 0.091 0.000 0.683 21 G HN 0.837 nan 8.290 nan 0.000 0.527 22 G N -1.038 107.803 108.800 0.069 0.000 2.528 22 G HA2 0.579 4.540 3.960 0.001 0.000 0.289 22 G HA3 0.579 4.540 3.960 0.001 0.000 0.289 22 G C -0.008 174.840 174.900 -0.086 0.000 1.192 22 G CA -0.275 44.833 45.100 0.013 0.000 0.921 22 G HN 0.587 nan 8.290 nan 0.000 0.512 23 R N 0.867 121.226 120.500 -0.236 0.000 2.246 23 R HA 0.373 4.713 4.340 0.001 0.000 0.332 23 R C -0.285 175.757 176.300 -0.429 0.000 0.974 23 R CA -0.601 55.148 56.100 -0.585 0.000 0.837 23 R CB 0.386 30.302 30.300 -0.641 0.000 1.145 23 R HN 0.404 nan 8.270 nan 0.000 0.467 24 I N 5.920 126.137 120.570 -0.589 0.000 2.471 24 I HA 0.139 4.309 4.170 0.001 0.000 0.286 24 I C 0.073 175.960 176.117 -0.385 0.000 1.079 24 I CA -0.255 60.718 61.300 -0.545 0.000 1.398 24 I CB 0.943 38.379 38.000 -0.940 0.000 1.403 24 I HN 0.452 nan 8.210 nan 0.000 0.530 25 I N 6.359 126.829 120.570 -0.167 0.000 2.390 25 I HA 0.345 4.516 4.170 0.001 0.000 0.283 25 I C -0.074 176.054 176.117 0.018 0.000 1.016 25 I CA -0.393 60.881 61.300 -0.043 0.000 1.151 25 I CB 0.512 38.520 38.000 0.013 0.000 1.293 25 I HN 0.560 nan 8.210 nan 0.000 0.458 26 N N 4.464 123.206 118.700 0.070 0.000 2.530 26 N HA 0.206 4.947 4.740 0.001 0.000 0.283 26 N C 0.953 176.511 175.510 0.080 0.000 1.238 26 N CA -0.385 52.720 53.050 0.091 0.000 0.971 26 N CB 1.422 39.997 38.487 0.147 0.000 1.195 26 N HN 0.510 nan 8.380 nan 0.000 0.583 27 D N -0.720 119.723 120.400 0.073 0.000 2.224 27 D HA -0.145 4.495 4.640 0.001 0.000 0.205 27 D C 0.606 176.935 176.300 0.047 0.000 0.965 27 D CA 1.000 55.027 54.000 0.045 0.000 0.852 27 D CB -0.072 40.740 40.800 0.019 0.000 0.947 27 D HN 0.602 nan 8.370 nan 0.000 0.494 28 D N -0.085 120.355 120.400 0.067 0.000 2.327 28 D HA -0.055 4.585 4.640 0.001 0.000 0.205 28 D C 0.905 177.246 176.300 0.068 0.000 0.989 28 D CA 0.461 54.496 54.000 0.058 0.000 0.873 28 D CB 0.132 40.968 40.800 0.060 0.000 0.955 28 D HN 0.593 nan 8.370 nan 0.000 0.515 29 Q N -1.996 117.865 119.800 0.102 0.000 2.874 29 Q HA 0.518 4.859 4.340 0.001 0.000 0.303 29 Q C -1.769 174.340 176.000 0.181 0.000 0.876 29 Q CA -0.994 54.884 55.803 0.125 0.000 0.765 29 Q CB 0.771 29.582 28.738 0.122 0.000 1.478 29 Q HN -0.120 nan 8.270 nan 0.000 0.434 30 S N 0.329 116.143 115.700 0.190 0.000 2.570 30 S HA 0.969 5.440 4.470 0.001 0.000 0.286 30 S C -1.458 173.298 174.600 0.260 0.000 1.099 30 S CA -0.560 57.720 58.200 0.133 0.000 0.913 30 S CB 1.026 64.234 63.200 0.014 0.000 1.085 30 S HN 0.667 nan 8.310 nan 0.000 0.480 31 F N -1.061 118.836 119.950 -0.089 0.000 2.725 31 F HA 0.597 5.125 4.527 0.002 0.000 0.309 31 F C -2.144 173.579 175.800 -0.128 0.000 1.132 31 F CA -1.558 56.416 58.000 -0.043 0.000 0.957 31 F CB 0.343 39.362 39.000 0.033 0.000 1.286 31 F HN 0.464 nan 8.300 nan 0.000 0.440 32 Y N 1.774 122.125 120.300 0.086 0.000 2.316 32 Y HA 0.763 5.313 4.550 0.001 0.000 0.331 32 Y C 0.487 176.437 175.900 0.082 0.000 1.083 32 Y CA 0.241 58.343 58.100 0.003 0.000 1.206 32 Y CB 1.383 39.870 38.460 0.045 0.000 1.195 32 Y HN 1.067 nan 8.280 nan 0.000 0.497 33 A N 2.097 124.985 122.820 0.114 0.000 2.549 33 A HA 0.445 4.766 4.320 0.001 0.000 0.291 33 A C -1.866 175.759 177.584 0.069 0.000 1.034 33 A CA -1.137 50.989 52.037 0.148 0.000 0.655 33 A CB 1.006 20.171 19.000 0.275 0.000 1.299 33 A HN 0.557 nan 8.150 nan 0.000 0.427 34 D N 0.037 120.490 120.400 0.088 0.000 2.277 34 D HA 0.571 5.212 4.640 0.001 0.000 0.250 34 D C -0.625 175.726 176.300 0.084 0.000 1.032 34 D CA -0.101 53.941 54.000 0.070 0.000 0.947 34 D CB 1.950 42.791 40.800 0.068 0.000 1.159 34 D HN 0.336 nan 8.370 nan 0.000 0.460 35 V N 1.556 121.521 119.914 0.085 0.000 2.540 35 V HA 0.194 4.315 4.120 0.001 0.000 0.302 35 V C -1.087 175.108 176.094 0.169 0.000 1.035 35 V CA -0.895 61.468 62.300 0.105 0.000 0.873 35 V CB 1.553 33.408 31.823 0.054 0.000 0.992 35 V HN 0.425 nan 8.190 nan 0.000 0.428 36 Y N 5.729 126.043 120.300 0.024 0.000 2.328 36 Y HA 0.739 5.290 4.550 0.001 0.000 0.337 36 Y C -0.760 175.150 175.900 0.015 0.000 0.966 36 Y CA -1.148 56.963 58.100 0.019 0.000 1.136 36 Y CB 1.257 39.729 38.460 0.020 0.000 1.170 36 Y HN 0.542 nan 8.280 nan 0.000 0.470 37 L N 5.644 126.638 121.223 -0.381 0.000 2.334 37 L HA 0.669 5.010 4.340 0.001 0.000 0.276 37 L C -0.770 175.767 176.870 -0.555 0.000 1.014 37 L CA -0.868 53.751 54.840 -0.369 0.000 0.815 37 L CB 2.140 44.102 42.059 -0.161 0.000 1.268 37 L HN 0.645 nan 8.230 nan 0.000 0.428 38 E N 1.993 121.969 120.200 -0.374 0.000 2.388 38 E HA 0.123 4.473 4.350 0.001 0.000 0.289 38 E C -1.446 175.066 176.600 -0.147 0.000 0.944 38 E CA -0.559 55.672 56.400 -0.282 0.000 0.792 38 E CB 1.311 30.808 29.700 -0.338 0.000 1.239 38 E HN 0.657 nan 8.360 nan 0.000 0.412 39 D N 3.482 123.824 120.400 -0.096 0.000 2.697 39 D HA -0.199 4.442 4.640 0.001 0.000 0.238 39 D C 0.691 176.959 176.300 -0.054 0.000 1.152 39 D CA 1.864 55.828 54.000 -0.059 0.000 0.666 39 D CB -1.147 39.626 40.800 -0.045 0.000 1.037 39 D HN 1.048 nan 8.370 nan 0.000 0.423 40 G N -1.003 107.764 108.800 -0.056 0.000 2.175 40 G HA2 -0.320 3.641 3.960 0.001 0.000 0.265 40 G HA3 -0.320 3.641 3.960 0.001 0.000 0.265 40 G C 0.340 175.209 174.900 -0.052 0.000 0.979 40 G CA 0.837 45.910 45.100 -0.045 0.000 0.663 40 G HN 0.508 nan 8.290 nan 0.000 0.533 41 L N -0.351 120.832 121.223 -0.067 0.000 2.333 41 L HA 0.627 4.968 4.340 0.001 0.000 0.263 41 L C 0.473 177.297 176.870 -0.077 0.000 1.014 41 L CA -1.391 53.411 54.840 -0.063 0.000 0.820 41 L CB 2.027 44.054 42.059 -0.053 0.000 1.352 41 L HN -0.034 nan 8.230 nan 0.000 0.421 42 I N 2.467 123.006 120.570 -0.052 0.000 2.322 42 I HA 0.112 4.283 4.170 0.001 0.000 0.292 42 I C 0.845 176.951 176.117 -0.019 0.000 1.060 42 I CA -0.297 60.981 61.300 -0.036 0.000 1.309 42 I CB 0.842 38.837 38.000 -0.008 0.000 1.415 42 I HN 0.609 nan 8.210 nan 0.000 0.492 43 K N 4.944 125.329 120.400 -0.024 0.000 2.166 43 K HA 0.167 4.488 4.320 0.001 0.000 0.201 43 K C 0.287 176.958 176.600 0.118 0.000 1.052 43 K CA 0.876 57.187 56.287 0.039 0.000 0.969 43 K CB 0.267 32.787 32.500 0.033 0.000 0.761 43 K HN 0.624 nan 8.250 nan 0.000 0.459 44 Q N -0.467 119.433 119.800 0.166 0.000 2.435 44 Q HA 0.527 4.868 4.340 0.001 0.000 0.282 44 Q C -1.237 174.852 176.000 0.148 0.000 1.020 44 Q CA -0.466 55.431 55.803 0.157 0.000 0.820 44 Q CB 2.915 31.759 28.738 0.178 0.000 1.436 44 Q HN -0.035 nan 8.270 nan 0.000 0.395 45 I N 0.550 121.198 120.570 0.129 0.000 2.571 45 I HA 0.821 4.991 4.170 0.001 0.000 0.289 45 I C -0.322 175.883 176.117 0.147 0.000 1.115 45 I CA -0.572 60.821 61.300 0.154 0.000 1.045 45 I CB 2.390 40.510 38.000 0.200 0.000 1.238 45 I HN 0.744 nan 8.210 nan 0.000 0.424 46 G N 2.493 111.382 108.800 0.149 0.000 2.387 46 G HA2 0.429 4.390 3.960 0.001 0.000 0.294 46 G HA3 0.429 4.390 3.960 0.001 0.000 0.294 46 G C 0.090 175.059 174.900 0.114 0.000 1.509 46 G CA 0.130 45.305 45.100 0.125 0.000 0.806 46 G HN 0.656 nan 8.290 nan 0.000 0.546 47 E N -1.317 118.945 120.200 0.103 0.000 2.136 47 E HA 0.121 4.472 4.350 0.001 0.000 0.208 47 E C 1.289 177.928 176.600 0.065 0.000 1.035 47 E CA 3.138 59.591 56.400 0.089 0.000 0.838 47 E CB -0.888 28.850 29.700 0.064 0.000 0.748 47 E HN 2.473 nan 8.360 nan 0.000 0.459 48 N N -3.906 114.820 118.700 0.044 0.000 2.928 48 N HA 0.714 5.455 4.740 0.001 0.000 0.247 48 N C 0.625 176.137 175.510 0.003 0.000 1.141 48 N CA 0.365 53.431 53.050 0.026 0.000 0.977 48 N CB -0.304 38.195 38.487 0.020 0.000 1.663 48 N HN 1.930 nan 8.380 nan 0.000 0.509 49 L N -0.382 120.833 121.223 -0.012 0.000 7.194 49 L HA 0.060 4.401 4.340 0.001 0.000 0.162 49 L C 1.684 178.510 176.870 -0.073 0.000 1.215 49 L CA 2.167 56.981 54.840 -0.045 0.000 1.466 49 L CB -1.810 40.228 42.059 -0.036 0.000 2.669 49 L HN 2.546 nan 8.230 nan 0.000 1.094 50 I N -4.336 116.176 120.570 -0.097 0.000 5.359 50 I HA 0.037 4.208 4.170 0.001 0.000 0.298 50 I C 0.287 176.278 176.117 -0.211 0.000 1.795 50 I CA 0.345 61.575 61.300 -0.116 0.000 0.982 50 I CB -1.872 36.079 38.000 -0.082 0.000 3.358 50 I HN 2.402 nan 8.210 nan 0.000 0.478 51 V N 0.405 120.155 119.914 -0.274 0.000 2.769 51 V HA 0.868 4.989 4.120 0.001 0.000 0.312 51 V C -1.816 174.158 176.094 -0.200 0.000 1.058 51 V CA -1.525 60.530 62.300 -0.408 0.000 0.952 51 V CB 0.627 32.032 31.823 -0.696 0.000 1.019 51 V HN -0.140 nan 8.190 nan 0.000 0.445 52 P HA 0.182 nan 4.420 nan 0.000 0.270 52 P C 1.266 178.545 177.300 -0.035 0.000 1.221 52 P CA 0.742 63.813 63.100 -0.048 0.000 0.788 52 P CB 0.581 32.283 31.700 0.004 0.000 0.904 53 G N 0.831 109.621 108.800 -0.017 0.000 2.422 53 G HA2 -0.076 3.885 3.960 0.001 0.000 0.218 53 G HA3 -0.076 3.885 3.960 0.001 0.000 0.218 53 G C 0.842 175.744 174.900 0.003 0.000 1.146 53 G CA 0.596 45.691 45.100 -0.010 0.000 0.769 53 G HN 0.718 nan 8.290 nan 0.000 0.547 54 G N -0.139 108.670 108.800 0.014 0.000 2.807 54 G HA2 0.460 4.421 3.960 0.001 0.000 0.316 54 G HA3 0.460 4.421 3.960 0.001 0.000 0.316 54 G C -1.257 173.670 174.900 0.045 0.000 0.900 54 G CA -0.202 44.913 45.100 0.025 0.000 1.499 54 G HN 0.245 nan 8.290 nan 0.000 0.484 55 V N 2.822 122.764 119.914 0.047 0.000 2.577 55 V HA 0.250 4.371 4.120 0.001 0.000 0.294 55 V C 0.248 176.382 176.094 0.067 0.000 1.052 55 V CA -1.415 60.934 62.300 0.082 0.000 0.891 55 V CB 1.747 33.641 31.823 0.118 0.000 1.017 55 V HN 0.743 nan 8.190 nan 0.000 0.436 56 K N 2.465 122.902 120.400 0.061 0.000 2.550 56 K HA 0.172 4.493 4.320 0.001 0.000 0.280 56 K C -0.327 176.305 176.600 0.054 0.000 0.987 56 K CA 0.692 57.005 56.287 0.044 0.000 1.048 56 K CB 0.395 32.916 32.500 0.035 0.000 0.879 56 K HN 0.768 nan 8.250 nan 0.000 0.491 57 T N 5.150 119.727 114.554 0.038 0.000 2.881 57 T HA 0.428 4.779 4.350 0.001 0.000 0.290 57 T C -0.387 174.330 174.700 0.028 0.000 1.000 57 T CA -0.623 61.502 62.100 0.040 0.000 0.978 57 T CB 0.750 69.637 68.868 0.033 0.000 0.997 57 T HN 0.444 nan 8.240 nan 0.000 0.443 58 I N 2.781 123.370 120.570 0.031 0.000 2.354 58 I HA 0.311 4.481 4.170 0.001 0.000 0.292 58 I C 0.079 176.210 176.117 0.022 0.000 0.989 58 I CA -0.875 60.437 61.300 0.021 0.000 1.188 58 I CB 1.431 39.443 38.000 0.021 0.000 1.342 58 I HN 0.398 nan 8.210 nan 0.000 0.457 59 E N 5.542 125.752 120.200 0.016 0.000 1.963 59 E HA 0.227 4.578 4.350 0.001 0.000 0.274 59 E C 0.700 177.312 176.600 0.019 0.000 1.061 59 E CA -0.221 56.190 56.400 0.019 0.000 0.847 59 E CB 1.590 31.298 29.700 0.013 0.000 1.083 59 E HN 0.739 nan 8.360 nan 0.000 0.402 60 A N 3.789 126.624 122.820 0.026 0.000 2.019 60 A HA -0.208 4.113 4.320 0.001 0.000 0.219 60 A C 0.729 178.332 177.584 0.032 0.000 1.164 60 A CA 0.721 52.773 52.037 0.026 0.000 0.644 60 A CB -0.560 18.456 19.000 0.027 0.000 0.805 60 A HN 0.780 nan 8.150 nan 0.000 0.449 61 N N -1.930 116.794 118.700 0.041 0.000 2.705 61 N HA -0.165 4.576 4.740 0.001 0.000 0.255 61 N C 0.777 176.327 175.510 0.066 0.000 1.008 61 N CA 1.406 54.483 53.050 0.045 0.000 0.742 61 N CB -1.444 37.059 38.487 0.026 0.000 0.906 61 N HN 1.275 nan 8.380 nan 0.000 0.541 62 G N -2.007 106.858 108.800 0.108 0.000 2.225 62 G HA2 -0.399 3.562 3.960 0.001 0.000 0.254 62 G HA3 -0.399 3.562 3.960 0.001 0.000 0.254 62 G C 0.455 175.414 174.900 0.099 0.000 0.988 62 G CA 0.453 45.650 45.100 0.161 0.000 0.625 62 G HN 0.485 nan 8.290 nan 0.000 0.527 63 R N 0.399 120.930 120.500 0.053 0.000 2.738 63 R HA 0.616 4.957 4.340 0.001 0.000 0.268 63 R C 1.311 177.618 176.300 0.011 0.000 1.062 63 R CA 0.029 56.147 56.100 0.030 0.000 1.158 63 R CB 0.062 30.370 30.300 0.014 0.000 1.046 63 R HN 0.434 nan 8.270 nan 0.000 0.493 64 M N 1.162 120.778 119.600 0.027 0.000 2.228 64 M HA 0.181 4.662 4.480 0.001 0.000 0.351 64 M C -0.518 175.795 176.300 0.021 0.000 1.233 64 M CA -0.081 55.226 55.300 0.011 0.000 1.129 64 M CB 0.845 33.483 32.600 0.063 0.000 1.604 64 M HN 0.036 nan 8.290 nan 0.000 0.457 65 V N 5.745 125.637 119.914 -0.036 0.000 2.326 65 V HA 0.532 4.652 4.120 0.001 0.000 0.281 65 V C -0.118 175.961 176.094 -0.025 0.000 1.015 65 V CA -0.555 61.731 62.300 -0.022 0.000 0.823 65 V CB 0.707 32.492 31.823 -0.062 0.000 1.009 65 V HN 0.801 nan 8.190 nan 0.000 0.436 66 I N 2.866 123.451 120.570 0.024 0.000 3.002 66 I HA 0.795 4.965 4.170 0.001 0.000 0.310 66 I C -2.870 173.259 176.117 0.020 0.000 1.087 66 I CA -3.119 58.193 61.300 0.021 0.000 1.017 66 I CB 2.591 40.616 38.000 0.042 0.000 1.226 66 I HN 0.279 nan 8.210 nan 0.000 0.443 67 P HA 0.170 nan 4.420 nan 0.000 0.271 67 P C -0.039 177.257 177.300 -0.006 0.000 1.216 67 P CA 0.072 63.171 63.100 -0.001 0.000 0.776 67 P CB 0.637 32.334 31.700 -0.005 0.000 0.881 68 G N 2.356 111.157 108.800 0.002 0.000 2.491 68 G HA2 0.369 4.330 3.960 0.001 0.000 0.238 68 G HA3 0.369 4.330 3.960 0.001 0.000 0.238 68 G C 0.460 175.348 174.900 -0.020 0.000 1.277 68 G CA -0.182 44.922 45.100 0.006 0.000 0.851 68 G HN 0.593 nan 8.290 nan 0.000 0.573 69 G N -0.493 108.293 108.800 -0.024 0.000 2.527 69 G HA2 0.443 4.404 3.960 0.001 0.000 0.248 69 G HA3 0.443 4.404 3.960 0.001 0.000 0.248 69 G C -0.192 174.692 174.900 -0.026 0.000 1.231 69 G CA -0.582 44.488 45.100 -0.051 0.000 0.838 69 G HN 0.636 nan 8.290 nan 0.000 0.570 70 I N 1.393 121.947 120.570 -0.025 0.000 2.382 70 I HA 0.142 4.313 4.170 0.001 0.000 0.285 70 I C -0.820 175.306 176.117 0.015 0.000 1.007 70 I CA -0.706 60.591 61.300 -0.006 0.000 1.142 70 I CB 1.922 39.924 38.000 0.005 0.000 1.289 70 I HN 0.311 nan 8.210 nan 0.000 0.453 71 D N 6.430 126.842 120.400 0.020 0.000 2.393 71 D HA 0.097 4.738 4.640 0.001 0.000 0.232 71 D C 1.136 177.471 176.300 0.059 0.000 1.192 71 D CA -0.258 53.776 54.000 0.055 0.000 0.882 71 D CB 1.590 42.425 40.800 0.059 0.000 1.038 71 D HN 0.423 nan 8.370 nan 0.000 0.499 72 V N 1.845 121.822 119.914 0.105 0.000 3.241 72 V HA 0.053 4.174 4.120 0.001 0.000 0.269 72 V C 0.556 176.776 176.094 0.210 0.000 1.151 72 V CA 0.337 62.703 62.300 0.110 0.000 1.158 72 V CB -0.630 31.373 31.823 0.299 0.000 0.764 72 V HN 0.386 nan 8.190 nan 0.000 0.508 73 N N 1.358 120.200 118.700 0.236 0.000 2.581 73 N HA 0.339 5.080 4.740 0.001 0.000 0.279 73 N C -0.761 174.949 175.510 0.332 0.000 1.124 73 N CA 0.466 53.720 53.050 0.341 0.000 0.833 73 N CB 1.881 40.598 38.487 0.384 0.000 1.338 73 N HN 0.649 nan 8.380 nan 0.000 0.533 74 T N -0.014 114.721 114.554 0.302 0.000 2.900 74 T HA 0.530 4.881 4.350 0.001 0.000 0.295 74 T C -0.842 174.000 174.700 0.237 0.000 1.044 74 T CA -0.423 61.844 62.100 0.279 0.000 0.995 74 T CB 1.502 70.462 68.868 0.154 0.000 1.072 74 T HN 0.242 nan 8.240 nan 0.000 0.473 75 Y N 1.711 122.146 120.300 0.224 0.000 2.473 75 Y HA 0.392 4.943 4.550 0.001 0.000 0.345 75 Y C 1.323 177.288 175.900 0.108 0.000 0.932 75 Y CA -0.781 57.448 58.100 0.216 0.000 1.124 75 Y CB 0.211 38.783 38.460 0.186 0.000 1.162 75 Y HN 0.575 nan 8.280 nan 0.000 0.629 76 L N -0.301 120.960 121.223 0.064 0.000 2.131 76 L HA -0.191 4.150 4.340 0.001 0.000 0.210 76 L C 1.244 178.008 176.870 -0.175 0.000 1.092 76 L CA 1.678 56.421 54.840 -0.162 0.000 0.759 76 L CB 0.003 41.706 42.059 -0.592 0.000 0.903 76 L HN 0.447 nan 8.230 nan 0.000 0.435 77 Q N -0.105 119.664 119.800 -0.052 0.000 2.182 77 Q HA 0.120 4.461 4.340 0.001 0.000 0.270 77 Q C -0.047 176.106 176.000 0.256 0.000 0.861 77 Q CA -0.157 55.612 55.803 -0.057 0.000 1.098 77 Q CB 0.816 29.284 28.738 -0.449 0.000 1.188 77 Q HN 0.166 nan 8.270 nan 0.000 0.464 78 K N 2.766 123.374 120.400 0.347 0.000 2.412 78 K HA 0.141 4.462 4.320 0.001 0.000 0.281 78 K C -2.402 174.417 176.600 0.366 0.000 1.027 78 K CA -1.242 55.321 56.287 0.460 0.000 0.989 78 K CB 0.636 33.430 32.500 0.490 0.000 0.935 78 K HN -0.027 nan 8.250 nan 0.000 0.475 79 P HA 0.130 nan 4.420 nan 0.000 0.294 79 P C -1.353 176.075 177.300 0.213 0.000 1.294 79 P CA -0.557 62.707 63.100 0.274 0.000 0.827 79 P CB 1.614 33.465 31.700 0.253 0.000 0.992 80 S N 2.470 118.253 115.700 0.138 0.000 2.652 80 S HA 0.170 4.641 4.470 0.001 0.000 0.273 80 S C -0.377 174.156 174.600 -0.113 0.000 1.172 80 S CA -0.273 57.902 58.200 -0.042 0.000 1.009 80 S CB 0.133 63.224 63.200 -0.182 0.000 1.094 80 S HN 0.395 nan 8.310 nan 0.000 0.471 81 Q N 2.178 121.921 119.800 -0.096 0.000 2.475 81 Q HA -0.203 4.138 4.340 0.001 0.000 0.280 81 Q C 0.935 176.912 176.000 -0.038 0.000 1.234 81 Q CA 1.575 57.329 55.803 -0.082 0.000 0.873 81 Q CB -2.021 26.649 28.738 -0.114 0.000 1.256 81 Q HN 1.961 nan 8.270 nan 0.000 0.475 82 G N -1.194 107.605 108.800 -0.002 0.000 2.162 82 G HA2 -0.334 3.627 3.960 0.001 0.000 0.260 82 G HA3 -0.334 3.627 3.960 0.001 0.000 0.260 82 G C 0.191 175.126 174.900 0.058 0.000 0.976 82 G CA 0.769 45.886 45.100 0.028 0.000 0.655 82 G HN 0.340 nan 8.290 nan 0.000 0.533 83 M N 0.827 120.477 119.600 0.083 0.000 2.456 83 M HA 0.467 4.947 4.480 0.001 0.000 0.324 83 M C 0.022 176.501 176.300 0.298 0.000 1.124 83 M CA -0.538 54.859 55.300 0.162 0.000 0.959 83 M CB 2.159 34.858 32.600 0.165 0.000 1.692 83 M HN 0.036 nan 8.290 nan 0.000 0.444 84 T N 0.929 115.617 114.554 0.222 0.000 2.889 84 T HA 0.190 4.541 4.350 0.001 0.000 0.291 84 T C 0.225 174.938 174.700 0.021 0.000 0.995 84 T CA -0.413 61.781 62.100 0.155 0.000 1.092 84 T CB 1.308 70.202 68.868 0.044 0.000 0.954 84 T HN 0.697 nan 8.240 nan 0.000 0.506 85 S N 1.215 116.794 115.700 -0.202 0.000 2.558 85 S HA 0.157 4.628 4.470 0.001 0.000 0.291 85 S C 1.644 176.007 174.600 -0.395 0.000 1.306 85 S CA -0.134 57.638 58.200 -0.713 0.000 1.056 85 S CB 0.047 62.994 63.200 -0.422 0.000 0.836 85 S HN 0.814 nan 8.310 nan 0.000 0.504 86 A N 3.954 126.521 122.820 -0.421 0.000 1.978 86 A HA -0.016 4.305 4.320 0.001 0.000 0.220 86 A C 0.572 178.095 177.584 -0.102 0.000 1.170 86 A CA 1.173 53.101 52.037 -0.180 0.000 0.636 86 A CB -0.241 18.682 19.000 -0.128 0.000 0.810 86 A HN 0.825 nan 8.150 nan 0.000 0.448 87 D N 1.013 121.357 120.400 -0.093 0.000 2.373 87 D HA 0.336 4.976 4.640 0.001 0.000 0.227 87 D C -0.640 175.605 176.300 -0.092 0.000 1.091 87 D CA -0.372 53.601 54.000 -0.045 0.000 0.840 87 D CB 1.180 42.003 40.800 0.038 0.000 1.060 87 D HN 0.486 nan 8.370 nan 0.000 0.502 88 D N 0.290 120.646 120.400 -0.072 0.000 2.414 88 D HA -0.022 4.619 4.640 0.001 0.000 0.259 88 D C 1.093 177.330 176.300 -0.105 0.000 1.269 88 D CA -0.495 53.446 54.000 -0.099 0.000 1.028 88 D CB 0.408 41.206 40.800 -0.004 0.000 1.093 88 D HN 0.070 nan 8.370 nan 0.000 0.545 89 F N -1.205 118.715 119.950 -0.050 0.000 2.250 89 F HA -0.068 4.460 4.527 0.001 0.000 0.301 89 F C 1.917 177.712 175.800 -0.008 0.000 1.077 89 F CA 0.896 58.856 58.000 -0.067 0.000 1.348 89 F CB -0.451 38.465 39.000 -0.139 0.000 1.040 89 F HN 0.336 nan 8.300 nan 0.000 0.509 90 F N 0.511 120.503 119.950 0.070 0.000 2.104 90 F HA -0.106 4.422 4.527 0.001 0.000 0.288 90 F C 2.471 178.270 175.800 -0.002 0.000 1.107 90 F CA 1.303 59.319 58.000 0.027 0.000 1.208 90 F CB -0.804 38.202 39.000 0.009 0.000 1.033 90 F HN -0.243 nan 8.300 nan 0.000 0.478 91 Q N 0.720 120.432 119.800 -0.147 0.000 2.061 91 Q HA -0.133 4.208 4.340 0.001 0.000 0.204 91 Q C 2.496 178.344 176.000 -0.254 0.000 0.984 91 Q CA 1.640 57.293 55.803 -0.251 0.000 0.846 91 Q CB -1.516 27.184 28.738 -0.063 0.000 0.902 91 Q HN 0.601 nan 8.270 nan 0.000 0.421 92 G N 0.822 109.511 108.800 -0.185 0.000 2.459 92 G HA2 -0.302 3.659 3.960 0.001 0.000 0.217 92 G HA3 -0.302 3.659 3.960 0.001 0.000 0.217 92 G C 1.565 176.331 174.900 -0.223 0.000 1.183 92 G CA 2.034 47.000 45.100 -0.224 0.000 0.776 92 G HN 0.543 nan 8.290 nan 0.000 0.552 93 T N -1.117 113.343 114.554 -0.156 0.000 2.951 93 T HA 0.046 4.397 4.350 0.001 0.000 0.268 93 T C 2.091 176.689 174.700 -0.170 0.000 1.073 93 T CA 1.566 63.600 62.100 -0.110 0.000 1.134 93 T CB -0.078 68.784 68.868 -0.011 0.000 0.884 93 T HN 0.387 nan 8.240 nan 0.000 0.479 94 K N 1.566 121.790 120.400 -0.293 0.000 2.026 94 K HA 0.031 4.352 4.320 0.001 0.000 0.208 94 K C 2.620 179.096 176.600 -0.207 0.000 1.048 94 K CA 1.209 57.315 56.287 -0.302 0.000 0.929 94 K CB -0.624 31.572 32.500 -0.507 0.000 0.713 94 K HN 0.386 nan 8.250 nan 0.000 0.439 95 A N 1.096 123.783 122.820 -0.222 0.000 1.933 95 A HA -0.103 4.218 4.320 0.001 0.000 0.218 95 A C 2.316 179.792 177.584 -0.179 0.000 1.175 95 A CA 1.863 53.784 52.037 -0.194 0.000 0.628 95 A CB -0.739 18.121 19.000 -0.233 0.000 0.814 95 A HN 0.505 nan 8.150 nan 0.000 0.444 96 A N -0.156 122.559 122.820 -0.175 0.000 1.877 96 A HA -0.056 4.265 4.320 0.001 0.000 0.216 96 A C 2.172 179.693 177.584 -0.105 0.000 1.186 96 A CA 1.514 53.475 52.037 -0.126 0.000 0.620 96 A CB -0.656 18.285 19.000 -0.097 0.000 0.822 96 A HN 0.469 nan 8.150 nan 0.000 0.443 97 L N -0.760 120.403 121.223 -0.101 0.000 2.046 97 L HA -0.212 4.129 4.340 0.001 0.000 0.208 97 L C 3.065 179.830 176.870 -0.175 0.000 1.077 97 L CA 1.067 55.858 54.840 -0.083 0.000 0.747 97 L CB -0.536 41.499 42.059 -0.039 0.000 0.896 97 L HN 0.453 nan 8.230 nan 0.000 0.432 98 A N 0.054 122.730 122.820 -0.240 0.000 1.972 98 A HA -0.098 4.223 4.320 0.001 0.000 0.219 98 A C 2.157 179.396 177.584 -0.575 0.000 1.169 98 A CA 1.606 53.332 52.037 -0.519 0.000 0.635 98 A CB -0.888 17.930 19.000 -0.304 0.000 0.810 98 A HN 0.454 nan 8.150 nan 0.000 0.446 99 G N -2.247 106.385 108.800 -0.281 0.000 3.141 99 G HA2 0.387 4.348 3.960 0.001 0.000 0.218 99 G HA3 0.387 4.348 3.960 0.001 0.000 0.218 99 G C 1.069 175.942 174.900 -0.045 0.000 1.170 99 G CA 0.460 45.462 45.100 -0.162 0.000 0.769 99 G HN 1.584 nan 8.290 nan 0.000 0.546 100 G N -0.786 107.966 108.800 -0.078 0.000 2.176 100 G HA2 -0.256 3.705 3.960 0.001 0.000 0.253 100 G HA3 -0.256 3.705 3.960 0.001 0.000 0.253 100 G C 0.328 175.256 174.900 0.046 0.000 0.979 100 G CA 0.361 45.492 45.100 0.052 0.000 0.641 100 G HN 0.559 nan 8.290 nan 0.000 0.530 101 T N 1.413 115.970 114.554 0.005 0.000 2.744 101 T HA 0.505 4.856 4.350 0.001 0.000 0.291 101 T C 1.444 176.142 174.700 -0.003 0.000 0.957 101 T CA 0.536 62.637 62.100 0.001 0.000 1.002 101 T CB 1.259 70.124 68.868 -0.004 0.000 0.919 101 T HN 0.568 nan 8.240 nan 0.000 0.468 102 T N 0.873 115.430 114.554 0.005 0.000 3.069 102 T HA 0.422 4.773 4.350 0.001 0.000 0.252 102 T C 0.354 175.062 174.700 0.014 0.000 1.053 102 T CA -0.233 61.873 62.100 0.010 0.000 0.964 102 T CB 0.194 69.068 68.868 0.011 0.000 1.005 102 T HN 0.480 nan 8.240 nan 0.000 0.532 103 M N 1.677 121.282 119.600 0.009 0.000 2.413 103 M HA 0.598 5.079 4.480 0.001 0.000 0.287 103 M C -2.117 174.190 176.300 0.012 0.000 1.186 103 M CA -1.208 54.099 55.300 0.011 0.000 0.927 103 M CB 2.719 35.305 32.600 -0.023 0.000 1.715 103 M HN 0.325 nan 8.290 nan 0.000 0.478 104 I N 1.282 121.874 120.570 0.038 0.000 2.828 104 I HA 0.640 4.811 4.170 0.001 0.000 0.302 104 I C -1.526 174.580 176.117 -0.018 0.000 1.101 104 I CA -0.994 60.325 61.300 0.030 0.000 1.031 104 I CB 2.483 40.532 38.000 0.082 0.000 1.231 104 I HN 0.679 nan 8.210 nan 0.000 0.427 105 I N 2.977 123.475 120.570 -0.119 0.000 2.464 105 I HA 0.313 4.484 4.170 0.001 0.000 0.277 105 I C -1.035 174.926 176.117 -0.259 0.000 1.040 105 I CA -0.175 60.907 61.300 -0.364 0.000 1.153 105 I CB 1.251 38.768 38.000 -0.805 0.000 1.274 105 I HN 0.636 nan 8.210 nan 0.000 0.469 106 D N 4.341 124.706 120.400 -0.058 0.000 2.255 106 D HA 0.175 4.816 4.640 0.001 0.000 0.249 106 D C -0.083 176.167 176.300 -0.083 0.000 1.078 106 D CA -0.113 53.922 54.000 0.059 0.000 0.896 106 D CB 0.902 41.909 40.800 0.345 0.000 1.194 106 D HN 0.344 nan 8.370 nan 0.000 0.429 107 H N 2.568 121.520 119.070 -0.196 0.000 2.800 107 H HA 0.208 4.765 4.556 0.001 0.000 0.291 107 H C -0.410 174.629 175.328 -0.482 0.000 1.076 107 H CA -0.465 55.350 56.048 -0.387 0.000 1.452 107 H CB 0.788 29.950 29.762 -1.001 0.000 1.461 107 H HN 0.136 nan 8.280 nan 0.000 0.488 108 V N 5.547 125.112 119.914 -0.582 0.000 2.488 108 V HA 0.027 4.148 4.120 0.001 0.000 0.277 108 V C 0.422 176.043 176.094 -0.788 0.000 1.046 108 V CA -0.379 61.100 62.300 -1.369 0.000 0.986 108 V CB 1.293 32.598 31.823 -0.863 0.000 0.989 108 V HN 0.437 nan 8.190 nan 0.000 0.475 109 V N 7.938 127.304 119.914 -0.912 0.000 2.304 109 V HA 0.311 4.432 4.120 0.001 0.000 0.278 109 V C -2.249 173.817 176.094 -0.047 0.000 1.018 109 V CA -1.826 60.357 62.300 -0.195 0.000 0.814 109 V CB 1.418 33.329 31.823 0.146 0.000 1.021 109 V HN 0.765 nan 8.190 nan 0.000 0.440 110 P HA 0.085 nan 4.420 nan 0.000 0.266 110 P C 0.085 177.479 177.300 0.155 0.000 1.195 110 P CA 0.175 63.338 63.100 0.105 0.000 0.768 110 P CB 0.731 32.496 31.700 0.108 0.000 0.838 111 E N 3.754 124.066 120.200 0.186 0.000 2.374 111 E HA 0.148 4.499 4.350 0.001 0.000 0.260 111 E C -2.054 174.624 176.600 0.131 0.000 1.101 111 E CA -1.914 54.587 56.400 0.168 0.000 0.907 111 E CB -0.027 29.765 29.700 0.153 0.000 1.014 111 E HN 0.311 nan 8.360 nan 0.000 0.427 112 P HA 0.034 nan 4.420 nan 0.000 0.265 112 P C -0.071 177.260 177.300 0.051 0.000 1.193 112 P CA 0.905 64.059 63.100 0.090 0.000 0.765 112 P CB 0.581 32.324 31.700 0.071 0.000 0.823 113 G N 1.838 110.650 108.800 0.021 0.000 2.155 113 G HA2 -0.218 3.743 3.960 0.001 0.000 0.257 113 G HA3 -0.218 3.743 3.960 0.001 0.000 0.257 113 G C 0.219 175.096 174.900 -0.038 0.000 0.983 113 G CA 0.362 45.445 45.100 -0.028 0.000 0.676 113 G HN 0.779 nan 8.290 nan 0.000 0.528 114 S N -0.614 115.085 115.700 -0.001 0.000 2.578 114 S HA 0.840 5.311 4.470 0.001 0.000 0.301 114 S C 0.312 174.920 174.600 0.014 0.000 1.091 114 S CA 0.463 58.675 58.200 0.021 0.000 1.032 114 S CB 2.243 65.493 63.200 0.083 0.000 1.064 114 S HN 1.717 nan 8.310 nan 0.000 0.508 115 S N 1.887 117.607 115.700 0.034 0.000 2.645 115 S HA 0.392 4.863 4.470 0.001 0.000 0.266 115 S C 1.125 175.837 174.600 0.187 0.000 1.258 115 S CA -0.972 57.292 58.200 0.106 0.000 0.990 115 S CB -0.078 63.180 63.200 0.096 0.000 0.967 115 S HN 0.711 nan 8.310 nan 0.000 0.556 116 L N 0.428 121.798 121.223 0.245 0.000 2.109 116 L HA -0.013 4.328 4.340 0.001 0.000 0.207 116 L C 2.410 179.404 176.870 0.208 0.000 1.086 116 L CA 0.889 55.853 54.840 0.208 0.000 0.760 116 L CB -0.739 41.432 42.059 0.186 0.000 0.910 116 L HN 0.672 nan 8.230 nan 0.000 0.437 117 L N -0.612 120.721 121.223 0.185 0.000 2.083 117 L HA -0.173 4.168 4.340 0.001 0.000 0.209 117 L C 2.615 179.621 176.870 0.227 0.000 1.083 117 L CA 1.369 56.329 54.840 0.201 0.000 0.752 117 L CB -0.902 41.243 42.059 0.142 0.000 0.899 117 L HN 0.265 nan 8.230 nan 0.000 0.433 118 T N -1.081 113.580 114.554 0.177 0.000 2.821 118 T HA -0.130 4.221 4.350 0.001 0.000 0.267 118 T C 2.146 176.964 174.700 0.197 0.000 1.046 118 T CA 1.558 63.753 62.100 0.158 0.000 1.139 118 T CB -0.050 68.889 68.868 0.118 0.000 0.871 118 T HN 0.272 nan 8.240 nan 0.000 0.454 119 S N 1.124 116.961 115.700 0.228 0.000 2.383 119 S HA -0.000 4.471 4.470 0.001 0.000 0.227 119 S C 1.626 176.431 174.600 0.341 0.000 1.026 119 S CA 0.643 59.018 58.200 0.291 0.000 0.981 119 S CB -0.457 62.869 63.200 0.210 0.000 0.818 119 S HN 0.517 nan 8.310 nan 0.000 0.472 120 F N 2.673 122.708 119.950 0.142 0.000 2.102 120 F HA -0.118 4.410 4.527 0.002 0.000 0.298 120 F C 2.361 178.265 175.800 0.173 0.000 1.105 120 F CA 1.886 59.956 58.000 0.115 0.000 1.239 120 F CB -0.571 38.452 39.000 0.038 0.000 0.991 120 F HN 0.236 nan 8.300 nan 0.000 0.474 121 E N 0.404 120.642 120.200 0.062 0.000 2.085 121 E HA -0.314 4.037 4.350 0.001 0.000 0.194 121 E C 2.356 178.935 176.600 -0.036 0.000 0.994 121 E CA 1.634 58.010 56.400 -0.039 0.000 0.801 121 E CB -0.306 29.441 29.700 0.078 0.000 0.743 121 E HN 0.507 nan 8.360 nan 0.000 0.453 122 K N 0.011 120.463 120.400 0.085 0.000 2.002 122 K HA -0.171 4.150 4.320 0.001 0.000 0.209 122 K C 2.117 178.750 176.600 0.055 0.000 1.048 122 K CA 1.606 57.943 56.287 0.083 0.000 0.930 122 K CB -0.305 32.302 32.500 0.179 0.000 0.714 122 K HN 0.336 nan 8.250 nan 0.000 0.438 123 W N 0.729 121.990 121.300 -0.064 0.000 2.355 123 W HA -0.237 4.424 4.660 0.002 0.000 0.309 123 W C 2.397 178.792 176.519 -0.207 0.000 1.206 123 W CA 1.757 59.078 57.345 -0.040 0.000 1.284 123 W CB -0.609 28.875 29.460 0.039 0.000 1.145 123 W HN 0.418 nan 8.180 nan 0.000 0.502 124 H N 0.535 119.435 119.070 -0.282 0.000 2.319 124 H HA -0.218 4.339 4.556 0.002 0.000 0.299 124 H C 2.080 177.213 175.328 -0.325 0.000 1.092 124 H CA 2.503 58.269 56.048 -0.470 0.000 1.302 124 H CB -0.644 28.563 29.762 -0.924 0.000 1.373 124 H HN 0.219 nan 8.280 nan 0.000 0.497 125 E N -0.289 119.715 120.200 -0.326 0.000 2.077 125 E HA -0.162 4.189 4.350 0.001 0.000 0.193 125 E C 2.279 178.706 176.600 -0.289 0.000 0.989 125 E CA 1.035 57.240 56.400 -0.325 0.000 0.800 125 E CB -0.242 29.335 29.700 -0.205 0.000 0.746 125 E HN 0.528 nan 8.360 nan 0.000 0.452 126 A N 1.423 124.079 122.820 -0.274 0.000 1.845 126 A HA -0.107 4.214 4.320 0.001 0.000 0.215 126 A C 2.485 179.797 177.584 -0.452 0.000 1.195 126 A CA 2.047 53.918 52.037 -0.277 0.000 0.616 126 A CB -1.071 17.788 19.000 -0.234 0.000 0.832 126 A HN 0.440 nan 8.150 nan 0.000 0.443 127 A N -0.319 121.975 122.820 -0.877 0.000 1.908 127 A HA -0.216 4.105 4.320 0.001 0.000 0.218 127 A C 1.801 178.967 177.584 -0.697 0.000 1.181 127 A CA 2.048 53.229 52.037 -1.426 0.000 0.627 127 A CB -0.762 16.977 19.000 -2.101 0.000 0.818 127 A HN 0.446 nan 8.150 nan 0.000 0.445 128 D N -0.588 119.583 120.400 -0.382 0.000 2.221 128 D HA -0.114 4.527 4.640 0.001 0.000 0.204 128 D C 2.083 178.296 176.300 -0.145 0.000 0.982 128 D CA 1.922 55.828 54.000 -0.158 0.000 0.857 128 D CB -0.214 40.443 40.800 -0.238 0.000 0.934 128 D HN 0.649 nan 8.370 nan 0.000 0.475 129 T N -3.511 110.932 114.554 -0.185 0.000 3.060 129 T HA 0.192 4.543 4.350 0.001 0.000 0.249 129 T C 1.553 176.198 174.700 -0.091 0.000 1.079 129 T CA 0.139 62.164 62.100 -0.125 0.000 1.013 129 T CB 0.498 69.290 68.868 -0.127 0.000 0.975 129 T HN 0.013 nan 8.240 nan 0.000 0.518 130 K N 0.443 120.791 120.400 -0.086 0.000 2.511 130 K HA 0.297 4.618 4.320 0.001 0.000 0.206 130 K C 0.698 177.391 176.600 0.155 0.000 1.333 130 K CA -0.099 56.215 56.287 0.045 0.000 0.957 130 K CB 0.790 33.356 32.500 0.111 0.000 1.172 130 K HN 0.169 nan 8.250 nan 0.000 0.547 131 S N 0.691 116.390 115.700 -0.002 0.000 2.546 131 S HA -0.046 4.425 4.470 0.001 0.000 0.290 131 S C 1.081 175.752 174.600 0.118 0.000 1.290 131 S CA -0.392 57.831 58.200 0.038 0.000 1.069 131 S CB 0.324 63.408 63.200 -0.193 0.000 0.846 131 S HN 0.337 nan 8.310 nan 0.000 0.495 132 C N 4.238 123.611 119.300 0.122 0.000 2.594 132 C HA 0.261 4.722 4.460 0.001 0.000 0.265 132 C C 1.248 176.292 174.990 0.091 0.000 1.351 132 C CA -0.496 58.588 59.018 0.110 0.000 1.744 132 C CB -2.167 25.597 27.740 0.039 0.000 1.890 132 C HN 0.946 nan 8.230 nan 0.000 0.551 133 C N -1.449 117.914 119.300 0.106 0.000 3.213 133 C HA 0.608 5.069 4.460 0.001 0.000 0.319 133 C C -0.945 174.153 174.990 0.181 0.000 1.386 133 C CA -1.002 58.081 59.018 0.107 0.000 1.494 133 C CB 0.293 28.075 27.740 0.071 0.000 1.905 133 C HN 0.251 nan 8.230 nan 0.000 0.456 134 D N 1.119 121.591 120.400 0.121 0.000 2.400 134 D HA 0.452 5.093 4.640 0.001 0.000 0.238 134 D C -0.533 175.863 176.300 0.159 0.000 1.157 134 D CA 1.040 55.094 54.000 0.091 0.000 0.889 134 D CB 0.399 41.182 40.800 -0.027 0.000 1.199 134 D HN 0.808 nan 8.370 nan 0.000 0.436 135 Y N -2.339 117.937 120.300 -0.039 0.000 2.609 135 Y HA 0.628 5.179 4.550 0.001 0.000 0.336 135 Y C -1.059 174.750 175.900 -0.153 0.000 1.129 135 Y CA -1.051 57.025 58.100 -0.041 0.000 1.040 135 Y CB 0.864 39.367 38.460 0.073 0.000 1.310 135 Y HN 0.146 nan 8.280 nan 0.000 0.460 136 S N 1.400 117.001 115.700 -0.165 0.000 2.671 136 S HA 0.833 5.304 4.470 0.001 0.000 0.299 136 S C -1.365 173.190 174.600 -0.075 0.000 1.116 136 S CA -0.947 57.043 58.200 -0.350 0.000 0.912 136 S CB 1.551 64.473 63.200 -0.464 0.000 1.130 136 S HN 0.632 nan 8.310 nan 0.000 0.501 137 L N 1.540 122.734 121.223 -0.048 0.000 2.408 137 L HA 0.544 4.885 4.340 0.001 0.000 0.268 137 L C -0.980 175.695 176.870 -0.325 0.000 0.986 137 L CA -0.712 54.106 54.840 -0.036 0.000 0.820 137 L CB 1.809 44.068 42.059 0.334 0.000 1.303 137 L HN 0.700 nan 8.230 nan 0.000 0.411 138 H N 0.806 119.647 119.070 -0.381 0.000 2.502 138 H HA 0.577 5.134 4.556 0.001 0.000 0.338 138 H C -0.805 174.275 175.328 -0.414 0.000 1.155 138 H CA -0.705 55.017 56.048 -0.545 0.000 1.237 138 H CB 2.348 31.615 29.762 -0.825 0.000 1.534 138 H HN 0.171 nan 8.280 nan 0.000 0.523 139 V N 2.591 122.331 119.914 -0.289 0.000 2.409 139 V HA 0.092 4.213 4.120 0.001 0.000 0.291 139 V C -0.714 175.437 176.094 0.094 0.000 1.020 139 V CA -0.794 61.444 62.300 -0.103 0.000 0.848 139 V CB 1.445 33.257 31.823 -0.018 0.000 0.990 139 V HN 0.792 nan 8.190 nan 0.000 0.430 140 D N 4.655 125.111 120.400 0.093 0.000 2.316 140 D HA 0.364 5.005 4.640 0.001 0.000 0.245 140 D C 0.127 176.554 176.300 0.212 0.000 1.171 140 D CA 0.090 54.199 54.000 0.182 0.000 0.856 140 D CB 1.103 42.026 40.800 0.204 0.000 1.090 140 D HN 0.384 nan 8.370 nan 0.000 0.476 141 I N 2.722 123.460 120.570 0.280 0.000 2.260 141 I HA 0.009 4.180 4.170 0.001 0.000 0.297 141 I C 1.523 177.810 176.117 0.283 0.000 1.143 141 I CA -0.100 61.371 61.300 0.285 0.000 1.271 141 I CB 0.236 38.446 38.000 0.349 0.000 1.461 141 I HN 0.373 nan 8.210 nan 0.000 0.530 142 T N 0.305 114.968 114.554 0.182 0.000 3.085 142 T HA 0.019 4.370 4.350 0.001 0.000 0.263 142 T C 0.628 175.476 174.700 0.247 0.000 1.127 142 T CA 0.211 62.364 62.100 0.088 0.000 1.103 142 T CB -0.183 68.602 68.868 -0.139 0.000 0.921 142 T HN 0.605 nan 8.240 nan 0.000 0.510 143 S N -0.839 115.045 115.700 0.306 0.000 2.542 143 S HA 0.336 4.807 4.470 0.001 0.000 0.276 143 S C -1.635 173.174 174.600 0.350 0.000 1.148 143 S CA -1.105 57.301 58.200 0.344 0.000 0.886 143 S CB 0.437 63.846 63.200 0.347 0.000 1.109 143 S HN 0.434 nan 8.310 nan 0.000 0.458 144 W N 5.539 126.882 121.300 0.072 0.000 1.912 144 W HA 0.349 5.010 4.660 0.002 0.000 0.399 144 W C -0.935 175.571 176.519 -0.021 0.000 0.800 144 W CA -0.738 56.578 57.345 -0.048 0.000 1.593 144 W CB 0.119 29.570 29.460 -0.015 0.000 1.769 144 W HN 0.804 nan 8.180 nan 0.000 0.281 145 Y N -0.176 120.031 120.300 -0.155 0.000 2.354 145 Y HA 0.367 4.919 4.550 0.002 0.000 0.322 145 Y C -0.023 175.707 175.900 -0.283 0.000 1.253 145 Y CA -1.449 56.559 58.100 -0.154 0.000 1.272 145 Y CB 0.197 38.609 38.460 -0.080 0.000 1.255 145 Y HN 0.102 nan 8.280 nan 0.000 0.500 146 D N 1.218 121.644 120.400 0.044 0.000 2.426 146 D HA 0.340 4.980 4.640 0.001 0.000 0.261 146 D C 0.933 177.226 176.300 -0.011 0.000 1.245 146 D CA 2.544 56.514 54.000 -0.050 0.000 0.917 146 D CB -0.102 40.698 40.800 0.001 0.000 1.123 146 D HN 0.980 nan 8.370 nan 0.000 0.508 147 G N 1.836 110.521 108.800 -0.191 0.000 2.231 147 G HA2 -0.293 3.668 3.960 0.001 0.000 0.206 147 G HA3 -0.293 3.668 3.960 0.001 0.000 0.206 147 G C 1.139 175.859 174.900 -0.299 0.000 0.996 147 G CA 0.047 45.061 45.100 -0.143 0.000 0.645 147 G HN 0.566 nan 8.290 nan 0.000 0.498 148 V N 1.479 120.976 119.914 -0.695 0.000 2.469 148 V HA -0.145 3.976 4.120 0.001 0.000 0.251 148 V C 2.819 178.496 176.094 -0.696 0.000 1.064 148 V CA 3.108 64.837 62.300 -0.952 0.000 1.066 148 V CB -0.450 30.443 31.823 -1.551 0.000 0.667 148 V HN 0.566 nan 8.190 nan 0.000 0.461 149 R N -0.386 119.639 120.500 -0.793 0.000 2.091 149 R HA -0.217 4.124 4.340 0.001 0.000 0.238 149 R C 2.170 178.354 176.300 -0.192 0.000 1.136 149 R CA 2.008 57.662 56.100 -0.743 0.000 0.959 149 R CB -0.388 29.303 30.300 -1.013 0.000 0.856 149 R HN 0.513 nan 8.270 nan 0.000 0.437 150 E N 0.752 120.856 120.200 -0.160 0.000 2.077 150 E HA -0.175 4.176 4.350 0.001 0.000 0.193 150 E C 1.838 178.431 176.600 -0.013 0.000 0.989 150 E CA 1.346 57.726 56.400 -0.035 0.000 0.800 150 E CB -0.068 29.611 29.700 -0.036 0.000 0.746 150 E HN 0.411 nan 8.360 nan 0.000 0.452 151 E N 0.203 120.374 120.200 -0.048 0.000 2.077 151 E HA -0.139 4.212 4.350 0.001 0.000 0.193 151 E C 2.132 178.729 176.600 -0.004 0.000 0.989 151 E CA 0.765 57.159 56.400 -0.010 0.000 0.800 151 E CB -0.171 29.531 29.700 0.003 0.000 0.746 151 E HN 0.231 nan 8.360 nan 0.000 0.452 152 L N 1.086 122.287 121.223 -0.038 0.000 2.046 152 L HA -0.201 4.140 4.340 0.001 0.000 0.208 152 L C 2.306 179.180 176.870 0.006 0.000 1.077 152 L CA 1.263 56.068 54.840 -0.058 0.000 0.747 152 L CB -0.469 41.545 42.059 -0.075 0.000 0.896 152 L HN 0.132 nan 8.230 nan 0.000 0.432 153 E N -0.273 119.967 120.200 0.067 0.000 2.110 153 E HA -0.177 4.174 4.350 0.001 0.000 0.193 153 E C 2.255 178.867 176.600 0.020 0.000 0.988 153 E CA 1.245 57.670 56.400 0.041 0.000 0.804 153 E CB -0.096 29.653 29.700 0.081 0.000 0.745 153 E HN 0.315 nan 8.360 nan 0.000 0.458 154 V N 1.383 121.309 119.914 0.019 0.000 2.453 154 V HA -0.202 3.919 4.120 0.001 0.000 0.247 154 V C 2.273 178.351 176.094 -0.026 0.000 1.048 154 V CA 1.200 63.502 62.300 0.004 0.000 1.049 154 V CB -0.379 31.450 31.823 0.010 0.000 0.672 154 V HN 0.224 nan 8.190 nan 0.000 0.457 155 L N -0.504 120.706 121.223 -0.021 0.000 2.046 155 L HA -0.149 4.192 4.340 0.001 0.000 0.208 155 L C 2.427 179.278 176.870 -0.031 0.000 1.077 155 L CA 1.176 55.965 54.840 -0.086 0.000 0.747 155 L CB -0.577 41.523 42.059 0.068 0.000 0.896 155 L HN 0.189 nan 8.230 nan 0.000 0.432 156 V N -0.580 119.376 119.914 0.070 0.000 2.255 156 V HA -0.297 3.824 4.120 0.001 0.000 0.243 156 V C 2.379 178.476 176.094 0.005 0.000 1.038 156 V CA 1.980 64.312 62.300 0.055 0.000 1.008 156 V CB -0.543 31.304 31.823 0.040 0.000 0.645 156 V HN 0.514 nan 8.190 nan 0.000 0.449 157 Q N -0.603 119.199 119.800 0.002 0.000 2.119 157 Q HA -0.218 4.123 4.340 0.001 0.000 0.201 157 Q C 1.550 177.552 176.000 0.004 0.000 0.972 157 Q CA 1.973 57.779 55.803 0.005 0.000 0.847 157 Q CB 0.050 28.793 28.738 0.008 0.000 0.903 157 Q HN 0.683 nan 8.270 nan 0.000 0.433 158 D N -0.825 119.571 120.400 -0.006 0.000 2.431 158 D HA 0.000 4.641 4.640 0.001 0.000 0.227 158 D C 1.440 177.737 176.300 -0.005 0.000 1.030 158 D CA 0.282 54.283 54.000 0.002 0.000 0.897 158 D CB 0.251 41.057 40.800 0.009 0.000 1.058 158 D HN 0.073 nan 8.370 nan 0.000 0.500 159 K N 0.388 120.745 120.400 -0.072 0.000 2.361 159 K HA 0.169 4.490 4.320 0.001 0.000 0.196 159 K C 1.231 177.815 176.600 -0.027 0.000 1.039 159 K CA 0.635 56.838 56.287 -0.141 0.000 1.001 159 K CB 0.566 32.719 32.500 -0.578 0.000 0.795 159 K HN 0.199 nan 8.250 nan 0.000 0.495 160 G N 1.329 110.117 108.800 -0.020 0.000 2.137 160 G HA2 -0.208 3.753 3.960 0.001 0.000 0.237 160 G HA3 -0.208 3.753 3.960 0.001 0.000 0.237 160 G C -0.149 174.735 174.900 -0.027 0.000 1.002 160 G CA 0.099 45.212 45.100 0.023 0.000 0.702 160 G HN 0.093 nan 8.290 nan 0.000 0.515 161 V N 1.780 121.627 119.914 -0.112 0.000 2.333 161 V HA 0.407 4.527 4.120 0.001 0.000 0.274 161 V C 0.904 176.890 176.094 -0.180 0.000 1.028 161 V CA -0.037 62.130 62.300 -0.221 0.000 0.851 161 V CB 1.406 32.984 31.823 -0.409 0.000 1.000 161 V HN 0.552 nan 8.190 nan 0.000 0.456 162 N N 2.288 120.889 118.700 -0.166 0.000 2.203 162 N HA 0.036 4.777 4.740 0.001 0.000 0.207 162 N C 0.149 175.653 175.510 -0.010 0.000 1.130 162 N CA -0.074 52.956 53.050 -0.033 0.000 0.861 162 N CB 0.694 39.174 38.487 -0.012 0.000 1.005 162 N HN 0.573 nan 8.380 nan 0.000 0.507 163 S N -0.521 115.028 115.700 -0.253 0.000 2.538 163 S HA 0.767 5.238 4.470 0.001 0.000 0.288 163 S C -1.068 173.237 174.600 -0.492 0.000 1.108 163 S CA -0.796 57.338 58.200 -0.110 0.000 0.971 163 S CB 0.971 64.272 63.200 0.169 0.000 1.041 163 S HN 0.046 nan 8.310 nan 0.000 0.483 164 F N 0.530 120.482 119.950 0.003 0.000 2.588 164 F HA 0.600 5.128 4.527 0.001 0.000 0.310 164 F C -0.049 175.737 175.800 -0.023 0.000 1.082 164 F CA -0.667 57.336 58.000 0.005 0.000 0.929 164 F CB 2.345 41.371 39.000 0.043 0.000 1.254 164 F HN 0.708 nan 8.300 nan 0.000 0.455 165 Q N 2.232 122.134 119.800 0.170 0.000 2.337 165 Q HA 0.776 5.117 4.340 0.001 0.000 0.266 165 Q C -1.646 174.406 176.000 0.087 0.000 1.023 165 Q CA -0.938 54.905 55.803 0.067 0.000 0.829 165 Q CB 2.508 31.244 28.738 -0.003 0.000 1.306 165 Q HN 0.688 nan 8.270 nan 0.000 0.449 166 V N 0.519 120.480 119.914 0.079 0.000 2.769 166 V HA 0.595 4.716 4.120 0.001 0.000 0.312 166 V C -1.389 174.787 176.094 0.137 0.000 1.061 166 V CA -0.783 61.624 62.300 0.178 0.000 0.931 166 V CB 1.199 33.162 31.823 0.233 0.000 1.010 166 V HN 0.707 nan 8.190 nan 0.000 0.433 167 Y N 2.887 123.331 120.300 0.240 0.000 2.361 167 Y HA 0.617 5.168 4.550 0.002 0.000 0.332 167 Y C 1.091 177.130 175.900 0.231 0.000 1.101 167 Y CA -0.834 57.435 58.100 0.281 0.000 1.137 167 Y CB 2.134 40.796 38.460 0.335 0.000 1.207 167 Y HN 0.597 nan 8.280 nan 0.000 0.463 168 M N 1.363 121.188 119.600 0.373 0.000 2.337 168 M HA 0.342 4.823 4.480 0.001 0.000 0.256 168 M C 0.442 176.851 176.300 0.182 0.000 1.075 168 M CA 0.170 55.611 55.300 0.235 0.000 1.024 168 M CB 0.648 33.363 32.600 0.192 0.000 1.429 168 M HN 0.712 nan 8.290 nan 0.000 0.497 169 A N -1.173 121.764 122.820 0.196 0.000 2.468 169 A HA 0.657 4.978 4.320 0.001 0.000 0.277 169 A C -0.916 176.642 177.584 -0.043 0.000 1.203 169 A CA -0.434 51.571 52.037 -0.054 0.000 0.932 169 A CB 0.328 19.148 19.000 -0.301 0.000 1.438 169 A HN 0.410 nan 8.150 nan 0.000 0.468 170 Y N -1.238 119.060 120.300 -0.004 0.000 3.059 170 Y HA -0.144 4.407 4.550 0.001 0.000 0.171 170 Y C 0.519 176.371 175.900 -0.080 0.000 1.717 170 Y CA 0.827 58.863 58.100 -0.108 0.000 1.069 170 Y CB -1.673 36.629 38.460 -0.263 0.000 1.470 170 Y HN 0.763 nan 8.280 nan 0.000 0.414 171 K N 2.001 122.415 120.400 0.025 0.000 2.550 171 K HA -0.054 4.267 4.320 0.001 0.000 0.280 171 K C 0.767 177.377 176.600 0.016 0.000 0.987 171 K CA 1.114 57.415 56.287 0.024 0.000 1.048 171 K CB 0.224 32.727 32.500 0.004 0.000 0.879 171 K HN 0.529 nan 8.250 nan 0.000 0.491 172 D N 1.334 121.751 120.400 0.028 0.000 3.077 172 D HA -0.245 4.396 4.640 0.001 0.000 0.217 172 D C 0.341 176.640 176.300 -0.001 0.000 1.162 172 D CA 1.401 55.412 54.000 0.019 0.000 0.943 172 D CB -0.646 40.156 40.800 0.003 0.000 1.122 172 D HN 0.506 nan 8.370 nan 0.000 0.413 173 L N -1.915 119.294 121.223 -0.022 0.000 2.862 173 L HA 0.160 4.501 4.340 0.001 0.000 0.169 173 L C 1.213 178.086 176.870 0.006 0.000 1.164 173 L CA 0.725 55.484 54.840 -0.136 0.000 0.858 173 L CB 0.054 41.876 42.059 -0.395 0.000 1.329 173 L HN -0.069 nan 8.230 nan 0.000 0.514 174 Y N -0.418 119.873 120.300 -0.014 0.000 2.467 174 Y HA 0.387 4.938 4.550 0.001 0.000 0.259 174 Y C 0.831 176.796 175.900 0.109 0.000 1.084 174 Y CA -0.873 57.197 58.100 -0.049 0.000 1.275 174 Y CB -0.673 37.513 38.460 -0.456 0.000 1.208 174 Y HN 0.251 nan 8.280 nan 0.000 0.511 175 Q N 1.634 121.599 119.800 0.275 0.000 2.368 175 Q HA -0.007 4.334 4.340 0.001 0.000 0.331 175 Q C -0.447 175.674 176.000 0.201 0.000 1.086 175 Q CA 0.543 56.484 55.803 0.230 0.000 1.031 175 Q CB 0.374 29.196 28.738 0.141 0.000 1.125 175 Q HN 0.300 nan 8.270 nan 0.000 0.389 176 M N 3.104 122.817 119.600 0.187 0.000 2.364 176 M HA 0.294 4.775 4.480 0.001 0.000 0.334 176 M C -0.439 175.903 176.300 0.070 0.000 1.107 176 M CA -0.493 54.886 55.300 0.132 0.000 0.988 176 M CB 1.658 34.336 32.600 0.129 0.000 1.673 176 M HN 0.832 nan 8.290 nan 0.000 0.441 177 S N 2.143 117.868 115.700 0.041 0.000 2.614 177 S HA 0.178 4.649 4.470 0.001 0.000 0.265 177 S C 0.461 175.041 174.600 -0.034 0.000 1.303 177 S CA -0.515 57.691 58.200 0.010 0.000 1.000 177 S CB 0.728 63.935 63.200 0.011 0.000 0.935 177 S HN 0.753 nan 8.310 nan 0.000 0.551 178 D N 1.447 121.819 120.400 -0.047 0.000 2.158 178 D HA -0.077 4.564 4.640 0.001 0.000 0.197 178 D C 2.021 178.267 176.300 -0.091 0.000 0.995 178 D CA 1.611 55.561 54.000 -0.084 0.000 0.846 178 D CB -0.611 40.143 40.800 -0.077 0.000 0.941 178 D HN 0.562 nan 8.370 nan 0.000 0.456 179 S N 0.410 116.065 115.700 -0.075 0.000 2.383 179 S HA -0.131 4.340 4.470 0.001 0.000 0.227 179 S C 1.920 176.483 174.600 -0.062 0.000 1.026 179 S CA 0.784 58.939 58.200 -0.076 0.000 0.981 179 S CB -0.076 63.086 63.200 -0.065 0.000 0.818 179 S HN 0.373 nan 8.310 nan 0.000 0.472 180 Q N 0.469 120.217 119.800 -0.086 0.000 2.123 180 Q HA 0.085 4.425 4.340 0.001 0.000 0.199 180 Q C 2.120 177.921 176.000 -0.332 0.000 0.966 180 Q CA 0.784 56.475 55.803 -0.186 0.000 0.845 180 Q CB -0.279 28.404 28.738 -0.093 0.000 0.907 180 Q HN 0.464 nan 8.270 nan 0.000 0.439 181 L N -0.495 120.579 121.223 -0.247 0.000 2.046 181 L HA -0.211 4.129 4.340 0.001 0.000 0.208 181 L C 2.372 178.957 176.870 -0.474 0.000 1.077 181 L CA 1.241 55.859 54.840 -0.370 0.000 0.747 181 L CB -0.494 41.323 42.059 -0.403 0.000 0.896 181 L HN 0.267 nan 8.230 nan 0.000 0.432 182 Y N 0.924 120.971 120.300 -0.422 0.000 2.181 182 Y HA -0.287 4.264 4.550 0.001 0.000 0.288 182 Y C 2.577 178.369 175.900 -0.179 0.000 1.146 182 Y CA 1.900 59.818 58.100 -0.304 0.000 1.164 182 Y CB -0.090 38.252 38.460 -0.196 0.000 0.982 182 Y HN 0.159 nan 8.280 nan 0.000 0.515 183 E N -0.305 119.909 120.200 0.024 0.000 2.051 183 E HA -0.213 4.138 4.350 0.001 0.000 0.192 183 E C 2.328 178.829 176.600 -0.165 0.000 0.991 183 E CA 1.105 57.497 56.400 -0.013 0.000 0.799 183 E CB -0.317 29.347 29.700 -0.059 0.000 0.748 183 E HN 0.569 nan 8.360 nan 0.000 0.449 184 A N 0.509 123.006 122.820 -0.538 0.000 1.877 184 A HA -0.179 4.142 4.320 0.001 0.000 0.216 184 A C 1.904 179.502 177.584 0.023 0.000 1.186 184 A CA 1.235 52.923 52.037 -0.581 0.000 0.620 184 A CB -0.824 17.699 19.000 -0.795 0.000 0.822 184 A HN 0.256 nan 8.150 nan 0.000 0.443 185 F N 0.981 120.805 119.950 -0.211 0.000 2.095 185 F HA -0.154 4.374 4.527 0.001 0.000 0.298 185 F C 2.810 178.543 175.800 -0.112 0.000 1.104 185 F CA 1.594 59.513 58.000 -0.135 0.000 1.232 185 F CB -1.414 37.490 39.000 -0.159 0.000 0.987 185 F HN 0.170 nan 8.300 nan 0.000 0.475 186 T N 0.148 114.733 114.554 0.051 0.000 2.674 186 T HA -0.244 4.106 4.350 0.001 0.000 0.265 186 T C 1.836 176.599 174.700 0.105 0.000 1.039 186 T CA 1.547 63.652 62.100 0.009 0.000 1.150 186 T CB -0.815 68.019 68.868 -0.056 0.000 0.864 186 T HN 0.184 nan 8.240 nan 0.000 0.427 187 F N 1.488 121.460 119.950 0.037 0.000 2.134 187 F HA 0.036 4.564 4.527 0.001 0.000 0.299 187 F C 1.967 177.778 175.800 0.020 0.000 1.097 187 F CA 0.973 59.017 58.000 0.074 0.000 1.264 187 F CB -0.461 38.660 39.000 0.202 0.000 1.001 187 F HN 0.045 nan 8.300 nan 0.000 0.479 188 L N 0.316 121.567 121.223 0.047 0.000 2.046 188 L HA -0.249 4.092 4.340 0.001 0.000 0.208 188 L C 2.598 179.376 176.870 -0.153 0.000 1.077 188 L CA 1.859 56.637 54.840 -0.104 0.000 0.747 188 L CB -0.801 41.236 42.059 -0.037 0.000 0.896 188 L HN 0.138 nan 8.230 nan 0.000 0.432 189 K N 0.498 120.861 120.400 -0.060 0.000 2.063 189 K HA -0.170 4.151 4.320 0.001 0.000 0.208 189 K C 2.038 178.592 176.600 -0.077 0.000 1.048 189 K CA 1.583 57.882 56.287 0.020 0.000 0.928 189 K CB -0.400 32.146 32.500 0.076 0.000 0.713 189 K HN 0.301 nan 8.250 nan 0.000 0.442 190 G N 1.393 110.119 108.800 -0.124 0.000 2.450 190 G HA2 -0.207 3.754 3.960 0.001 0.000 0.220 190 G HA3 -0.207 3.754 3.960 0.001 0.000 0.220 190 G C 1.396 176.163 174.900 -0.222 0.000 1.130 190 G CA 0.763 45.782 45.100 -0.134 0.000 0.760 190 G HN 0.284 nan 8.290 nan 0.000 0.557 191 L N 0.262 121.238 121.223 -0.413 0.000 2.554 191 L HA 0.236 4.577 4.340 0.001 0.000 0.226 191 L C 1.963 178.367 176.870 -0.777 0.000 1.137 191 L CA 0.372 54.948 54.840 -0.440 0.000 0.863 191 L CB -0.176 41.626 42.059 -0.428 0.000 0.985 191 L HN 0.366 nan 8.230 nan 0.000 0.451 192 G N 0.698 108.810 108.800 -1.146 0.000 2.176 192 G HA2 -0.251 3.710 3.960 0.001 0.000 0.252 192 G HA3 -0.251 3.710 3.960 0.001 0.000 0.252 192 G C 0.319 174.676 174.900 -0.905 0.000 1.024 192 G CA 0.183 44.011 45.100 -2.121 0.000 0.755 192 G HN 0.505 nan 8.290 nan 0.000 0.507 193 A N -0.986 121.626 122.820 -0.347 0.000 2.271 193 A HA 0.803 5.124 4.320 0.001 0.000 0.288 193 A C 0.508 178.136 177.584 0.074 0.000 1.094 193 A CA 0.001 52.014 52.037 -0.040 0.000 0.828 193 A CB 1.240 20.308 19.000 0.113 0.000 1.091 193 A HN 1.167 nan 8.150 nan 0.000 0.493 194 V N 1.821 121.781 119.914 0.077 0.000 2.383 194 V HA 0.229 4.350 4.120 0.001 0.000 0.275 194 V C -0.131 175.965 176.094 0.004 0.000 1.036 194 V CA 0.075 62.369 62.300 -0.011 0.000 0.889 194 V CB 0.618 32.390 31.823 -0.085 0.000 0.985 194 V HN 0.597 nan 8.190 nan 0.000 0.459 195 I N 6.397 126.920 120.570 -0.079 0.000 2.301 195 I HA 0.278 4.449 4.170 0.001 0.000 0.292 195 I C -0.447 175.607 176.117 -0.104 0.000 1.046 195 I CA -0.209 61.005 61.300 -0.143 0.000 1.282 195 I CB 0.973 38.717 38.000 -0.428 0.000 1.409 195 I HN 0.371 nan 8.210 nan 0.000 0.484 196 L N 7.675 128.867 121.223 -0.051 0.000 2.343 196 L HA 0.594 4.935 4.340 0.001 0.000 0.275 196 L C -0.183 176.723 176.870 0.059 0.000 1.056 196 L CA -0.464 54.383 54.840 0.012 0.000 0.804 196 L CB 1.778 43.778 42.059 -0.098 0.000 1.203 196 L HN 0.232 nan 8.230 nan 0.000 0.440 197 V N 1.246 121.239 119.914 0.131 0.000 2.709 197 V HA 0.323 4.444 4.120 0.001 0.000 0.308 197 V C -0.761 175.408 176.094 0.126 0.000 1.062 197 V CA -0.749 61.635 62.300 0.140 0.000 0.901 197 V CB 1.810 33.755 31.823 0.203 0.000 1.003 197 V HN 0.672 nan 8.190 nan 0.000 0.425 198 H N 4.049 123.127 119.070 0.015 0.000 2.685 198 H HA 0.627 5.183 4.556 0.001 0.000 0.286 198 H C -0.239 175.166 175.328 0.128 0.000 1.102 198 H CA -0.205 55.879 56.048 0.060 0.000 1.254 198 H CB 1.285 31.072 29.762 0.042 0.000 1.397 198 H HN 0.800 nan 8.280 nan 0.000 0.473 199 A N 5.692 128.580 122.820 0.112 0.000 2.478 199 A HA 0.405 4.726 4.320 0.001 0.000 0.327 199 A C -0.264 177.391 177.584 0.118 0.000 1.431 199 A CA -0.444 51.678 52.037 0.143 0.000 1.014 199 A CB 0.179 19.245 19.000 0.111 0.000 1.143 199 A HN 0.833 nan 8.150 nan 0.000 0.532 200 E N 1.473 121.774 120.200 0.167 0.000 2.335 200 E HA 0.107 4.458 4.350 0.001 0.000 0.280 200 E C -1.259 175.383 176.600 0.071 0.000 0.918 200 E CA -0.848 55.611 56.400 0.099 0.000 0.765 200 E CB 1.596 31.358 29.700 0.103 0.000 1.218 200 E HN 0.634 nan 8.360 nan 0.000 0.425 201 N N 1.893 120.617 118.700 0.040 0.000 2.402 201 N HA 0.024 4.765 4.740 0.001 0.000 0.259 201 N C 0.778 176.287 175.510 -0.001 0.000 1.167 201 N CA 0.321 53.388 53.050 0.028 0.000 0.949 201 N CB 1.094 39.595 38.487 0.024 0.000 1.212 201 N HN 0.768 nan 8.380 nan 0.000 0.493 202 G N 3.124 111.920 108.800 -0.005 0.000 2.422 202 G HA2 -0.237 3.724 3.960 0.001 0.000 0.218 202 G HA3 -0.237 3.724 3.960 0.001 0.000 0.218 202 G C 1.068 175.955 174.900 -0.021 0.000 1.146 202 G CA 0.432 45.509 45.100 -0.039 0.000 0.769 202 G HN 0.547 nan 8.290 nan 0.000 0.547 203 D N 0.598 120.997 120.400 -0.002 0.000 2.097 203 D HA -0.061 4.580 4.640 0.001 0.000 0.195 203 D C 2.660 178.958 176.300 -0.003 0.000 0.989 203 D CA 0.557 54.557 54.000 0.000 0.000 0.827 203 D CB -0.235 40.568 40.800 0.006 0.000 0.966 203 D HN 0.288 nan 8.370 nan 0.000 0.456 204 L N 0.448 121.670 121.223 -0.002 0.000 2.141 204 L HA -0.067 4.274 4.340 0.001 0.000 0.209 204 L C 2.535 179.401 176.870 -0.007 0.000 1.094 204 L CA 0.462 55.300 54.840 -0.002 0.000 0.763 204 L CB -0.211 41.849 42.059 0.001 0.000 0.908 204 L HN 0.006 nan 8.230 nan 0.000 0.437 205 I N 0.025 120.584 120.570 -0.018 0.000 2.315 205 I HA -0.258 3.913 4.170 0.001 0.000 0.248 205 I C 2.793 178.904 176.117 -0.010 0.000 1.117 205 I CA 1.073 62.358 61.300 -0.025 0.000 1.404 205 I CB -0.319 37.646 38.000 -0.058 0.000 1.071 205 I HN 0.195 nan 8.210 nan 0.000 0.419 206 A N 0.103 122.915 122.820 -0.013 0.000 1.902 206 A HA -0.221 4.100 4.320 0.001 0.000 0.217 206 A C 2.254 179.839 177.584 0.001 0.000 1.181 206 A CA 1.280 53.312 52.037 -0.008 0.000 0.623 206 A CB -0.414 18.579 19.000 -0.011 0.000 0.818 206 A HN 0.362 nan 8.150 nan 0.000 0.443 207 Q N -0.171 119.630 119.800 0.002 0.000 2.050 207 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 207 Q C 1.867 177.876 176.000 0.014 0.000 0.980 207 Q CA 1.460 57.266 55.803 0.006 0.000 0.840 207 Q CB -0.431 28.310 28.738 0.004 0.000 0.898 207 Q HN 0.661 nan 8.270 nan 0.000 0.424 208 E N 0.758 120.968 120.200 0.017 0.000 2.152 208 E HA -0.123 4.228 4.350 0.001 0.000 0.192 208 E C 2.013 178.652 176.600 0.066 0.000 0.983 208 E CA 0.553 56.971 56.400 0.029 0.000 0.818 208 E CB 0.036 29.744 29.700 0.013 0.000 0.758 208 E HN 0.473 nan 8.360 nan 0.000 0.467 209 Q N 0.688 120.533 119.800 0.076 0.000 2.050 209 Q HA -0.145 4.196 4.340 0.001 0.000 0.202 209 Q C 2.167 178.212 176.000 0.076 0.000 0.980 209 Q CA 1.360 57.241 55.803 0.130 0.000 0.840 209 Q CB -0.054 28.719 28.738 0.058 0.000 0.898 209 Q HN 0.159 nan 8.270 nan 0.000 0.424 210 K N 0.366 120.782 120.400 0.026 0.000 2.009 210 K HA -0.214 4.107 4.320 0.001 0.000 0.210 210 K C 2.170 178.788 176.600 0.029 0.000 1.049 210 K CA 1.413 57.705 56.287 0.008 0.000 0.929 210 K CB -0.231 32.270 32.500 0.000 0.000 0.714 210 K HN 0.068 nan 8.250 nan 0.000 0.440 211 R N 0.869 121.391 120.500 0.036 0.000 2.083 211 R HA -0.148 4.193 4.340 0.001 0.000 0.237 211 R C 2.228 178.564 176.300 0.059 0.000 1.137 211 R CA 1.497 57.620 56.100 0.038 0.000 0.951 211 R CB -0.139 30.179 30.300 0.030 0.000 0.851 211 R HN 0.115 nan 8.270 nan 0.000 0.434 212 I N 1.124 121.750 120.570 0.094 0.000 2.179 212 I HA -0.282 3.889 4.170 0.001 0.000 0.242 212 I C 2.352 178.571 176.117 0.168 0.000 1.088 212 I CA 1.363 62.739 61.300 0.128 0.000 1.357 212 I CB -0.994 37.108 38.000 0.171 0.000 1.051 212 I HN 0.327 nan 8.210 nan 0.000 0.409 213 L N 0.202 121.529 121.223 0.173 0.000 2.191 213 L HA -0.184 4.157 4.340 0.001 0.000 0.212 213 L C 2.417 179.321 176.870 0.056 0.000 1.103 213 L CA 1.062 55.964 54.840 0.104 0.000 0.769 213 L CB -0.390 41.651 42.059 -0.030 0.000 0.908 213 L HN 0.301 nan 8.230 nan 0.000 0.438 214 E N -0.316 119.911 120.200 0.046 0.000 2.152 214 E HA -0.166 4.184 4.350 0.001 0.000 0.192 214 E C 2.072 178.692 176.600 0.033 0.000 0.983 214 E CA 0.842 57.260 56.400 0.029 0.000 0.818 214 E CB 0.028 29.741 29.700 0.022 0.000 0.758 214 E HN 0.443 nan 8.360 nan 0.000 0.467 215 M N -0.747 118.880 119.600 0.045 0.000 2.686 215 M HA 0.026 4.507 4.480 0.001 0.000 0.246 215 M C 1.038 177.365 176.300 0.044 0.000 1.096 215 M CA 0.783 56.107 55.300 0.040 0.000 1.076 215 M CB 0.559 33.184 32.600 0.042 0.000 1.504 215 M HN 0.286 nan 8.290 nan 0.000 0.524 216 G N 1.118 109.948 108.800 0.051 0.000 2.143 216 G HA2 -0.251 3.710 3.960 0.001 0.000 0.249 216 G HA3 -0.251 3.710 3.960 0.001 0.000 0.249 216 G C 0.096 175.039 174.900 0.072 0.000 0.981 216 G CA -0.359 44.772 45.100 0.051 0.000 0.665 216 G HN 0.480 nan 8.290 nan 0.000 0.528 217 I N 2.312 122.941 120.570 0.098 0.000 2.347 217 I HA 0.287 4.458 4.170 0.001 0.000 0.294 217 I C 1.682 177.938 176.117 0.233 0.000 1.090 217 I CA 0.598 61.963 61.300 0.108 0.000 1.314 217 I CB 1.000 39.032 38.000 0.053 0.000 1.423 217 I HN 0.255 nan 8.210 nan 0.000 0.503 218 T N 0.847 115.526 114.554 0.208 0.000 2.969 218 T HA 0.182 4.533 4.350 0.001 0.000 0.250 218 T C 1.032 175.954 174.700 0.371 0.000 1.021 218 T CA -0.053 62.233 62.100 0.311 0.000 1.003 218 T CB 0.189 69.153 68.868 0.160 0.000 1.040 218 T HN 0.544 nan 8.240 nan 0.000 0.492 219 G N 2.348 111.273 108.800 0.209 0.000 2.684 219 G HA2 0.393 4.354 3.960 0.001 0.000 0.255 219 G HA3 0.393 4.354 3.960 0.001 0.000 0.255 219 G C -1.575 173.299 174.900 -0.044 0.000 1.219 219 G CA -1.135 44.066 45.100 0.169 0.000 0.901 219 G HN 0.036 nan 8.290 nan 0.000 0.548 220 P HA -0.133 nan 4.420 nan 0.000 0.217 220 P C 1.879 178.830 177.300 -0.581 0.000 1.148 220 P CA 1.478 64.375 63.100 -0.340 0.000 0.828 220 P CB 0.137 31.615 31.700 -0.370 0.000 0.783 221 E N -0.015 119.758 120.200 -0.712 0.000 2.219 221 E HA -0.174 4.177 4.350 0.001 0.000 0.198 221 E C 2.057 178.099 176.600 -0.930 0.000 0.998 221 E CA 1.921 57.625 56.400 -1.160 0.000 0.818 221 E CB -1.753 26.978 29.700 -1.616 0.000 0.741 221 E HN 0.241 nan 8.360 nan 0.000 0.477 222 G N 0.309 108.558 108.800 -0.918 0.000 2.448 222 G HA2 -0.311 3.650 3.960 0.001 0.000 0.219 222 G HA3 -0.311 3.650 3.960 0.001 0.000 0.219 222 G C 1.448 175.426 174.900 -1.538 0.000 1.127 222 G CA 0.972 45.261 45.100 -1.352 0.000 0.766 222 G HN 0.455 nan 8.290 nan 0.000 0.552 223 H N 1.082 119.398 119.070 -1.257 0.000 2.326 223 H HA 0.163 4.720 4.556 0.002 0.000 0.301 223 H C 2.683 177.680 175.328 -0.551 0.000 1.081 223 H CA 1.834 57.466 56.048 -0.693 0.000 1.334 223 H CB -0.266 29.181 29.762 -0.525 0.000 1.385 223 H HN 0.246 nan 8.280 nan 0.000 0.504 224 A N 0.439 122.840 122.820 -0.698 0.000 1.902 224 A HA -0.089 4.232 4.320 0.001 0.000 0.217 224 A C 2.481 179.909 177.584 -0.259 0.000 1.181 224 A CA 1.550 53.310 52.037 -0.462 0.000 0.623 224 A CB -0.859 17.954 19.000 -0.312 0.000 0.818 224 A HN 0.469 nan 8.150 nan 0.000 0.443 225 L N 0.458 121.508 121.223 -0.288 0.000 2.201 225 L HA -0.120 4.221 4.340 0.001 0.000 0.212 225 L C 2.626 179.411 176.870 -0.142 0.000 1.105 225 L CA 1.382 56.131 54.840 -0.152 0.000 0.775 225 L CB -0.301 41.669 42.059 -0.149 0.000 0.913 225 L HN 0.562 nan 8.230 nan 0.000 0.440 226 S N -0.772 114.806 115.700 -0.204 0.000 2.558 226 S HA 0.049 4.520 4.470 0.001 0.000 0.217 226 S C 1.239 175.775 174.600 -0.108 0.000 0.975 226 S CA -0.162 57.982 58.200 -0.093 0.000 0.912 226 S CB 0.032 63.248 63.200 0.027 0.000 0.776 226 S HN 0.388 nan 8.310 nan 0.000 0.526 227 R N 2.076 122.472 120.500 -0.175 0.000 2.881 227 R HA 0.325 4.665 4.340 0.001 0.000 0.331 227 R C -2.861 173.382 176.300 -0.094 0.000 1.207 227 R CA -1.696 54.316 56.100 -0.147 0.000 1.265 227 R CB 0.629 30.786 30.300 -0.237 0.000 1.351 227 R HN 0.376 nan 8.270 nan 0.000 0.613 228 P HA -0.129 nan 4.420 nan 0.000 0.266 228 P C 0.348 177.638 177.300 -0.015 0.000 1.193 228 P CA 0.419 63.503 63.100 -0.026 0.000 0.770 228 P CB 0.787 32.476 31.700 -0.018 0.000 0.836 229 E N 1.385 121.584 120.200 -0.003 0.000 2.267 229 E HA -0.254 4.097 4.350 0.001 0.000 0.197 229 E C 0.885 177.485 176.600 0.000 0.000 0.998 229 E CA 1.269 57.671 56.400 0.003 0.000 0.830 229 E CB -0.429 29.275 29.700 0.007 0.000 0.751 229 E HN 0.364 nan 8.360 nan 0.000 0.491 230 E N 1.010 121.207 120.200 -0.006 0.000 2.204 230 E HA -0.093 4.258 4.350 0.001 0.000 0.195 230 E C 1.926 178.531 176.600 0.009 0.000 0.990 230 E CA 0.950 57.348 56.400 -0.004 0.000 0.821 230 E CB -0.136 29.560 29.700 -0.007 0.000 0.750 230 E HN 0.395 nan 8.360 nan 0.000 0.477 231 L N 0.220 121.447 121.223 0.007 0.000 2.395 231 L HA -0.013 4.328 4.340 0.001 0.000 0.218 231 L C 2.390 179.275 176.870 0.026 0.000 1.130 231 L CA 0.780 55.628 54.840 0.014 0.000 0.826 231 L CB -0.188 41.870 42.059 -0.001 0.000 0.941 231 L HN 0.186 nan 8.230 nan 0.000 0.451 232 E N 0.929 121.143 120.200 0.023 0.000 2.042 232 E HA -0.145 4.206 4.350 0.001 0.000 0.189 232 E C 2.295 178.922 176.600 0.046 0.000 0.974 232 E CA 0.942 57.362 56.400 0.033 0.000 0.806 232 E CB 0.068 29.782 29.700 0.023 0.000 0.769 232 E HN 0.334 nan 8.360 nan 0.000 0.451 233 A N 1.989 124.830 122.820 0.034 0.000 1.892 233 A HA -0.257 4.064 4.320 0.001 0.000 0.218 233 A C 2.172 179.802 177.584 0.077 0.000 1.188 233 A CA 1.874 53.932 52.037 0.034 0.000 0.631 233 A CB -0.748 18.250 19.000 -0.003 0.000 0.822 233 A HN 0.397 nan 8.150 nan 0.000 0.447 234 E N 0.349 120.597 120.200 0.080 0.000 2.058 234 E HA -0.176 4.175 4.350 0.001 0.000 0.194 234 E C 2.223 178.909 176.600 0.142 0.000 0.997 234 E CA 1.490 57.966 56.400 0.127 0.000 0.801 234 E CB -0.418 29.333 29.700 0.085 0.000 0.746 234 E HN 0.475 nan 8.360 nan 0.000 0.450 235 A N 0.683 123.565 122.820 0.105 0.000 1.902 235 A HA -0.122 4.199 4.320 0.001 0.000 0.217 235 A C 2.612 180.273 177.584 0.129 0.000 1.181 235 A CA 1.595 53.694 52.037 0.104 0.000 0.623 235 A CB -0.717 18.343 19.000 0.099 0.000 0.818 235 A HN 0.193 nan 8.150 nan 0.000 0.443 236 V N -1.129 118.866 119.914 0.135 0.000 2.287 236 V HA -0.278 3.843 4.120 0.001 0.000 0.248 236 V C 2.271 178.495 176.094 0.217 0.000 1.053 236 V CA 2.158 64.547 62.300 0.148 0.000 1.027 236 V CB -0.950 30.939 31.823 0.111 0.000 0.646 236 V HN 0.661 nan 8.190 nan 0.000 0.447 237 F N 0.693 120.661 119.950 0.029 0.000 2.102 237 F HA -0.263 4.264 4.527 0.001 0.000 0.298 237 F C 2.795 178.610 175.800 0.025 0.000 1.105 237 F CA 1.928 59.940 58.000 0.021 0.000 1.239 237 F CB 0.007 39.013 39.000 0.011 0.000 0.991 237 F HN -0.021 nan 8.300 nan 0.000 0.474 238 R N 0.558 121.087 120.500 0.049 0.000 2.081 238 R HA -0.167 4.174 4.340 0.001 0.000 0.235 238 R C 2.257 178.530 176.300 -0.044 0.000 1.131 238 R CA 1.385 57.437 56.100 -0.081 0.000 0.960 238 R CB -0.544 29.741 30.300 -0.025 0.000 0.856 238 R HN 0.336 nan 8.270 nan 0.000 0.436 239 A N 0.669 123.524 122.820 0.057 0.000 1.933 239 A HA -0.102 4.219 4.320 0.001 0.000 0.218 239 A C 2.128 179.816 177.584 0.174 0.000 1.175 239 A CA 1.311 53.432 52.037 0.141 0.000 0.628 239 A CB -0.427 18.718 19.000 0.241 0.000 0.814 239 A HN 0.381 nan 8.150 nan 0.000 0.444 240 I N -0.479 120.163 120.570 0.119 0.000 2.439 240 I HA -0.210 3.961 4.170 0.001 0.000 0.251 240 I C 2.892 179.018 176.117 0.015 0.000 1.139 240 I CA 0.812 62.172 61.300 0.099 0.000 1.438 240 I CB -0.257 37.826 38.000 0.139 0.000 1.085 240 I HN 0.360 nan 8.210 nan 0.000 0.427 241 A N 1.246 124.007 122.820 -0.098 0.000 1.898 241 A HA -0.147 4.174 4.320 0.001 0.000 0.216 241 A C 2.282 179.822 177.584 -0.073 0.000 1.181 241 A CA 1.335 53.274 52.037 -0.164 0.000 0.620 241 A CB -0.669 18.144 19.000 -0.312 0.000 0.819 241 A HN 0.336 nan 8.150 nan 0.000 0.442 242 I N -0.230 120.306 120.570 -0.056 0.000 2.142 242 I HA -0.284 3.887 4.170 0.001 0.000 0.240 242 I C 3.024 179.165 176.117 0.040 0.000 1.078 242 I CA 1.123 62.388 61.300 -0.058 0.000 1.343 242 I CB -0.524 37.315 38.000 -0.270 0.000 1.046 242 I HN 0.357 nan 8.210 nan 0.000 0.405 243 A N 1.124 124.055 122.820 0.186 0.000 1.917 243 A HA -0.193 4.128 4.320 0.001 0.000 0.219 243 A C 2.424 180.047 177.584 0.065 0.000 1.182 243 A CA 2.154 54.317 52.037 0.209 0.000 0.633 243 A CB -1.516 17.596 19.000 0.186 0.000 0.819 243 A HN 0.502 nan 8.150 nan 0.000 0.448 244 G N -1.017 107.799 108.800 0.026 0.000 2.422 244 G HA2 -0.194 3.767 3.960 0.001 0.000 0.218 244 G HA3 -0.194 3.767 3.960 0.001 0.000 0.218 244 G C 1.683 176.572 174.900 -0.018 0.000 1.146 244 G CA 0.708 45.800 45.100 -0.013 0.000 0.769 244 G HN 0.440 nan 8.290 nan 0.000 0.547 245 R N 0.001 120.498 120.500 -0.006 0.000 2.115 245 R HA 0.167 4.507 4.340 0.001 0.000 0.226 245 R C 2.406 178.711 176.300 0.007 0.000 1.100 245 R CA 0.493 56.601 56.100 0.013 0.000 0.980 245 R CB -0.436 29.901 30.300 0.062 0.000 0.875 245 R HN 0.436 nan 8.270 nan 0.000 0.445 246 I N 0.887 121.440 120.570 -0.028 0.000 3.226 246 I HA -0.092 4.079 4.170 0.001 0.000 0.277 246 I C -0.002 176.111 176.117 -0.007 0.000 1.243 246 I CA 0.036 61.297 61.300 -0.066 0.000 1.459 246 I CB -0.286 37.634 38.000 -0.134 0.000 1.093 246 I HN 0.175 nan 8.210 nan 0.000 0.453 247 N N 1.640 120.344 118.700 0.006 0.000 2.681 247 N HA -0.190 4.551 4.740 0.001 0.000 0.259 247 N C -0.733 174.781 175.510 0.006 0.000 1.066 247 N CA 0.713 53.770 53.050 0.013 0.000 0.717 247 N CB -1.133 37.380 38.487 0.043 0.000 0.885 247 N HN 0.548 nan 8.380 nan 0.000 0.547 248 C N -0.788 118.503 119.300 -0.015 0.000 3.090 248 C HA 0.895 5.355 4.460 0.001 0.000 0.305 248 C C -2.634 172.296 174.990 -0.100 0.000 1.292 248 C CA -1.847 57.136 59.018 -0.059 0.000 1.482 248 C CB 1.483 29.209 27.740 -0.023 0.000 1.897 248 C HN 0.369 nan 8.230 nan 0.000 0.469 249 P HA 0.474 nan 4.420 nan 0.000 0.274 249 P C -0.904 176.350 177.300 -0.077 0.000 1.237 249 P CA -0.198 62.844 63.100 -0.097 0.000 0.793 249 P CB 0.867 32.467 31.700 -0.166 0.000 0.977 250 V N 2.739 122.676 119.914 0.039 0.000 2.851 250 V HA 0.483 4.604 4.120 0.001 0.000 0.307 250 V C -2.048 174.165 176.094 0.199 0.000 1.129 250 V CA -0.701 61.603 62.300 0.007 0.000 0.932 250 V CB 1.548 33.374 31.823 0.005 0.000 1.024 250 V HN 0.392 nan 8.190 nan 0.000 0.426 251 Y N 7.206 127.517 120.300 0.019 0.000 2.328 251 Y HA 0.655 5.206 4.550 0.001 0.000 0.336 251 Y C -0.411 175.533 175.900 0.073 0.000 0.960 251 Y CA -1.261 56.888 58.100 0.082 0.000 1.134 251 Y CB 1.461 39.925 38.460 0.006 0.000 1.166 251 Y HN 0.523 nan 8.280 nan 0.000 0.464 252 I N 6.842 127.465 120.570 0.088 0.000 2.291 252 I HA 0.119 4.290 4.170 0.001 0.000 0.292 252 I C 0.596 176.760 176.117 0.078 0.000 1.064 252 I CA -0.274 61.081 61.300 0.091 0.000 1.269 252 I CB 0.340 38.360 38.000 0.032 0.000 1.418 252 I HN 0.695 nan 8.210 nan 0.000 0.485 253 T N 3.152 117.836 114.554 0.216 0.000 2.868 253 T HA 0.251 4.601 4.350 0.001 0.000 0.292 253 T C 0.535 175.291 174.700 0.093 0.000 1.028 253 T CA -0.692 61.548 62.100 0.234 0.000 1.059 253 T CB 0.624 69.638 68.868 0.243 0.000 0.991 253 T HN 0.579 nan 8.240 nan 0.000 0.531 254 K N 0.410 120.880 120.400 0.117 0.000 3.490 254 K HA -0.116 4.205 4.320 0.001 0.000 0.273 254 K C -0.433 176.196 176.600 0.048 0.000 0.916 254 K CA 0.019 56.355 56.287 0.080 0.000 0.718 254 K CB -1.894 30.636 32.500 0.050 0.000 1.477 254 K HN 0.543 nan 8.250 nan 0.000 0.452 255 V N 1.919 121.864 119.914 0.052 0.000 2.450 255 V HA -0.044 4.077 4.120 0.001 0.000 0.281 255 V C 1.259 177.396 176.094 0.071 0.000 1.019 255 V CA 0.564 62.892 62.300 0.046 0.000 1.062 255 V CB 0.897 32.740 31.823 0.033 0.000 0.979 255 V HN 0.410 nan 8.190 nan 0.000 0.477 256 M N 3.749 123.393 119.600 0.073 0.000 2.308 256 M HA 0.175 4.656 4.480 0.001 0.000 0.269 256 M C 0.615 176.973 176.300 0.096 0.000 1.040 256 M CA 0.326 55.684 55.300 0.097 0.000 1.024 256 M CB 0.708 33.372 32.600 0.108 0.000 1.465 256 M HN 0.771 nan 8.290 nan 0.000 0.517 257 S N -1.806 113.942 115.700 0.079 0.000 2.599 257 S HA 0.488 4.959 4.470 0.001 0.000 0.294 257 S C 0.467 175.118 174.600 0.084 0.000 1.094 257 S CA -0.915 57.327 58.200 0.071 0.000 0.931 257 S CB 1.813 65.039 63.200 0.043 0.000 1.093 257 S HN 0.157 nan 8.310 nan 0.000 0.488 258 K N 1.095 121.533 120.400 0.064 0.000 2.097 258 K HA -0.060 4.261 4.320 0.001 0.000 0.206 258 K C 2.154 178.782 176.600 0.046 0.000 1.049 258 K CA 1.718 58.046 56.287 0.067 0.000 0.933 258 K CB -0.406 31.956 32.500 -0.229 0.000 0.717 258 K HN 0.542 nan 8.250 nan 0.000 0.442 259 S N 0.932 116.628 115.700 -0.007 0.000 2.348 259 S HA -0.168 4.303 4.470 0.001 0.000 0.221 259 S C 2.193 176.792 174.600 -0.001 0.000 1.033 259 S CA 1.320 59.508 58.200 -0.019 0.000 1.010 259 S CB -0.314 62.868 63.200 -0.031 0.000 0.891 259 S HN 0.458 nan 8.310 nan 0.000 0.442 260 A N 1.622 124.453 122.820 0.018 0.000 1.902 260 A HA 0.055 4.376 4.320 0.001 0.000 0.217 260 A C 2.364 179.964 177.584 0.027 0.000 1.181 260 A CA 1.830 53.881 52.037 0.023 0.000 0.623 260 A CB -1.166 17.855 19.000 0.034 0.000 0.818 260 A HN 0.523 nan 8.150 nan 0.000 0.443 261 A N -0.076 122.776 122.820 0.054 0.000 1.908 261 A HA -0.210 4.111 4.320 0.001 0.000 0.218 261 A C 1.788 179.398 177.584 0.044 0.000 1.181 261 A CA 1.938 54.009 52.037 0.056 0.000 0.627 261 A CB -0.589 18.475 19.000 0.107 0.000 0.818 261 A HN 0.473 nan 8.150 nan 0.000 0.445 262 D N -0.047 120.394 120.400 0.068 0.000 2.144 262 D HA -0.103 4.538 4.640 0.001 0.000 0.200 262 D C 1.908 178.187 176.300 -0.034 0.000 0.978 262 D CA 0.807 54.828 54.000 0.035 0.000 0.833 262 D CB -0.231 40.592 40.800 0.038 0.000 0.961 262 D HN 0.334 nan 8.370 nan 0.000 0.470 263 I N 1.090 121.626 120.570 -0.057 0.000 2.163 263 I HA -0.222 3.949 4.170 0.001 0.000 0.243 263 I C 2.517 178.609 176.117 -0.042 0.000 1.085 263 I CA 0.847 62.085 61.300 -0.104 0.000 1.347 263 I CB -0.873 37.075 38.000 -0.086 0.000 1.044 263 I HN 0.038 nan 8.210 nan 0.000 0.408 264 I N 0.887 121.446 120.570 -0.019 0.000 2.179 264 I HA -0.265 3.906 4.170 0.001 0.000 0.242 264 I C 2.805 178.892 176.117 -0.050 0.000 1.088 264 I CA 1.331 62.615 61.300 -0.027 0.000 1.357 264 I CB -0.514 37.465 38.000 -0.035 0.000 1.051 264 I HN 0.123 nan 8.210 nan 0.000 0.409 265 A N 1.002 123.794 122.820 -0.048 0.000 1.873 265 A HA -0.263 4.058 4.320 0.001 0.000 0.218 265 A C 2.281 179.833 177.584 -0.053 0.000 1.193 265 A CA 2.014 54.017 52.037 -0.056 0.000 0.629 265 A CB -0.989 17.984 19.000 -0.044 0.000 0.826 265 A HN 0.413 nan 8.150 nan 0.000 0.447 266 L N -0.178 121.016 121.223 -0.048 0.000 2.012 266 L HA -0.090 4.251 4.340 0.001 0.000 0.210 266 L C 2.632 179.483 176.870 -0.032 0.000 1.073 266 L CA 2.464 57.277 54.840 -0.045 0.000 0.748 266 L CB -1.025 40.994 42.059 -0.066 0.000 0.891 266 L HN 0.356 nan 8.230 nan 0.000 0.431 267 A N -0.259 122.550 122.820 -0.018 0.000 1.908 267 A HA -0.244 4.077 4.320 0.001 0.000 0.218 267 A C 2.398 179.954 177.584 -0.047 0.000 1.181 267 A CA 1.919 53.957 52.037 0.000 0.000 0.627 267 A CB -0.609 18.410 19.000 0.031 0.000 0.818 267 A HN 0.559 nan 8.150 nan 0.000 0.445 268 R N 0.118 120.571 120.500 -0.080 0.000 2.091 268 R HA -0.188 4.153 4.340 0.001 0.000 0.238 268 R C 2.182 178.427 176.300 -0.092 0.000 1.136 268 R CA 1.797 57.827 56.100 -0.117 0.000 0.959 268 R CB -0.405 29.812 30.300 -0.139 0.000 0.856 268 R HN 0.806 nan 8.270 nan 0.000 0.437 269 K N 0.752 121.111 120.400 -0.067 0.000 2.432 269 K HA -0.046 4.275 4.320 0.001 0.000 0.196 269 K C 1.434 178.007 176.600 -0.045 0.000 1.038 269 K CA 1.041 57.296 56.287 -0.054 0.000 0.986 269 K CB 0.141 32.615 32.500 -0.043 0.000 0.782 269 K HN 0.079 nan 8.250 nan 0.000 0.485 270 K N 0.061 120.436 120.400 -0.042 0.000 2.137 270 K HA 0.053 4.374 4.320 0.001 0.000 0.202 270 K C 1.374 177.944 176.600 -0.050 0.000 1.052 270 K CA 1.213 57.479 56.287 -0.036 0.000 0.961 270 K CB 0.365 32.855 32.500 -0.017 0.000 0.741 270 K HN 0.483 nan 8.250 nan 0.000 0.452 271 G N 0.173 108.936 108.800 -0.061 0.000 3.967 271 G HA2 -0.094 3.867 3.960 0.001 0.000 0.210 271 G HA3 -0.094 3.867 3.960 0.001 0.000 0.210 271 G C -2.342 172.509 174.900 -0.081 0.000 1.127 271 G CA -0.797 44.261 45.100 -0.070 0.000 0.887 271 G HN 0.086 nan 8.290 nan 0.000 0.367 272 P HA 0.309 nan 4.420 nan 0.000 0.261 272 P C 0.088 177.314 177.300 -0.123 0.000 1.173 272 P CA 0.373 63.429 63.100 -0.073 0.000 0.760 272 P CB 0.397 32.073 31.700 -0.039 0.000 0.783 273 L N 3.745 124.891 121.223 -0.128 0.000 2.395 273 L HA 0.231 4.572 4.340 0.001 0.000 0.268 273 L C 0.401 177.139 176.870 -0.220 0.000 1.223 273 L CA -0.306 54.407 54.840 -0.211 0.000 1.093 273 L CB -0.075 41.909 42.059 -0.125 0.000 1.349 273 L HN 0.177 nan 8.230 nan 0.000 0.427 274 V N 3.086 122.797 119.914 -0.337 0.000 2.513 274 V HA 0.570 4.691 4.120 0.001 0.000 0.299 274 V C -0.628 175.179 176.094 -0.477 0.000 1.035 274 V CA -0.323 61.842 62.300 -0.225 0.000 0.889 274 V CB 1.851 33.614 31.823 -0.101 0.000 0.988 274 V HN 0.312 nan 8.190 nan 0.000 0.440 275 F N 3.786 123.662 119.950 -0.124 0.000 2.538 275 F HA 0.857 5.386 4.527 0.002 0.000 0.325 275 F C 0.778 176.396 175.800 -0.305 0.000 1.066 275 F CA -0.443 57.433 58.000 -0.206 0.000 0.946 275 F CB 2.291 41.150 39.000 -0.236 0.000 1.199 275 F HN 0.667 nan 8.300 nan 0.000 0.473 276 G N 0.555 109.282 108.800 -0.123 0.000 2.530 276 G HA2 0.476 4.436 3.960 0.001 0.000 0.316 276 G HA3 0.476 4.436 3.960 0.001 0.000 0.316 276 G C -1.624 173.159 174.900 -0.196 0.000 1.298 276 G CA -0.493 44.508 45.100 -0.165 0.000 0.948 276 G HN 0.615 nan 8.290 nan 0.000 0.486 277 E N 3.724 123.806 120.200 -0.198 0.000 2.546 277 E HA 0.276 4.627 4.350 0.001 0.000 0.227 277 E C -2.351 174.273 176.600 0.041 0.000 1.009 277 E CA -1.971 54.386 56.400 -0.071 0.000 0.813 277 E CB 1.780 31.480 29.700 -0.000 0.000 1.269 277 E HN 0.295 nan 8.360 nan 0.000 0.432 278 P HA 0.172 nan 4.420 nan 0.000 0.274 278 P C 0.048 177.417 177.300 0.115 0.000 1.237 278 P CA -0.194 62.953 63.100 0.078 0.000 0.793 278 P CB 1.166 32.905 31.700 0.065 0.000 0.977 279 I N -3.080 117.574 120.570 0.141 0.000 3.067 279 I HA 0.642 4.813 4.170 0.001 0.000 0.312 279 I C 1.358 177.594 176.117 0.199 0.000 1.073 279 I CA -1.286 60.118 61.300 0.172 0.000 1.016 279 I CB 1.479 39.594 38.000 0.191 0.000 1.227 279 I HN 0.264 nan 8.210 nan 0.000 0.456 280 A N 2.930 125.886 122.820 0.227 0.000 1.896 280 A HA -0.240 4.081 4.320 0.001 0.000 0.220 280 A C 2.359 180.213 177.584 0.451 0.000 1.206 280 A CA 3.136 55.337 52.037 0.273 0.000 0.647 280 A CB -1.393 17.784 19.000 0.294 0.000 0.828 280 A HN 1.137 nan 8.150 nan 0.000 0.455 281 A N 0.034 123.134 122.820 0.467 0.000 1.884 281 A HA -0.194 4.127 4.320 0.001 0.000 0.219 281 A C 2.484 180.248 177.584 0.300 0.000 1.197 281 A CA 3.013 55.260 52.037 0.350 0.000 0.637 281 A CB -1.186 17.906 19.000 0.153 0.000 0.827 281 A HN 1.269 nan 8.150 nan 0.000 0.450 282 S N -0.905 114.935 115.700 0.235 0.000 2.522 282 S HA 0.159 4.629 4.470 0.001 0.000 0.227 282 S C 1.489 176.203 174.600 0.189 0.000 0.986 282 S CA 1.042 59.359 58.200 0.196 0.000 0.929 282 S CB -0.308 62.987 63.200 0.159 0.000 0.769 282 S HN 0.436 nan 8.310 nan 0.000 0.529 283 L N 0.153 121.498 121.223 0.204 0.000 2.463 283 L HA 0.367 4.708 4.340 0.001 0.000 0.219 283 L C 2.294 179.273 176.870 0.181 0.000 1.088 283 L CA 0.704 55.642 54.840 0.163 0.000 0.849 283 L CB -0.087 42.050 42.059 0.130 0.000 1.012 283 L HN 0.523 nan 8.230 nan 0.000 0.468 284 G N -1.736 107.230 108.800 0.278 0.000 2.944 284 G HA2 0.157 4.118 3.960 0.001 0.000 0.223 284 G HA3 0.157 4.118 3.960 0.001 0.000 0.223 284 G C 0.365 175.504 174.900 0.399 0.000 1.071 284 G CA 0.393 45.676 45.100 0.305 0.000 0.806 284 G HN 0.143 nan 8.290 nan 0.000 0.538 285 T N -0.220 114.564 114.554 0.384 0.000 2.647 285 T HA 0.523 4.874 4.350 0.001 0.000 0.295 285 T C -1.972 172.882 174.700 0.257 0.000 1.126 285 T CA 0.057 62.353 62.100 0.328 0.000 1.040 285 T CB 1.956 71.021 68.868 0.327 0.000 1.472 285 T HN 0.226 nan 8.240 nan 0.000 0.500 286 D N -1.512 119.038 120.400 0.251 0.000 2.744 286 D HA 0.497 5.138 4.640 0.001 0.000 0.304 286 D C 0.840 177.180 176.300 0.066 0.000 1.179 286 D CA -0.226 53.861 54.000 0.145 0.000 1.024 286 D CB 0.367 41.206 40.800 0.065 0.000 1.453 286 D HN 0.710 nan 8.370 nan 0.000 0.529 287 G N -1.553 107.266 108.800 0.031 0.000 3.088 287 G HA2 0.025 3.986 3.960 0.001 0.000 0.212 287 G HA3 0.025 3.986 3.960 0.001 0.000 0.212 287 G C 1.066 175.971 174.900 0.010 0.000 1.173 287 G CA 0.770 45.863 45.100 -0.013 0.000 0.779 287 G HN 0.650 nan 8.290 nan 0.000 0.540 288 T N -2.303 112.116 114.554 -0.225 0.000 2.977 288 T HA -0.137 4.213 4.350 0.001 0.000 0.271 288 T C 1.809 176.333 174.700 -0.293 0.000 1.105 288 T CA 0.927 62.853 62.100 -0.289 0.000 1.116 288 T CB -0.471 68.132 68.868 -0.442 0.000 0.878 288 T HN 0.437 nan 8.240 nan 0.000 0.509 289 H N -0.347 118.498 119.070 -0.375 0.000 2.524 289 H HA 0.058 4.615 4.556 0.001 0.000 0.282 289 H C 1.322 176.377 175.328 -0.455 0.000 1.016 289 H CA 0.757 56.421 56.048 -0.640 0.000 1.270 289 H CB -0.339 28.443 29.762 -1.633 0.000 1.394 289 H HN 0.464 nan 8.280 nan 0.000 0.568 290 Y N -0.863 119.379 120.300 -0.096 0.000 2.574 290 Y HA -0.159 4.391 4.550 0.001 0.000 0.294 290 Y C 1.784 177.493 175.900 -0.319 0.000 1.142 290 Y CA 0.304 58.261 58.100 -0.238 0.000 1.314 290 Y CB -0.210 38.029 38.460 -0.368 0.000 0.991 290 Y HN 0.306 nan 8.280 nan 0.000 0.555 291 W N -0.504 120.761 121.300 -0.058 0.000 3.239 291 W HA 0.245 4.906 4.660 0.001 0.000 0.368 291 W C 0.843 177.324 176.519 -0.063 0.000 1.154 291 W CA -0.182 57.129 57.345 -0.057 0.000 1.860 291 W CB 0.090 29.510 29.460 -0.067 0.000 1.094 291 W HN -0.179 nan 8.180 nan 0.000 0.643 292 S N 1.330 117.074 115.700 0.075 0.000 2.568 292 S HA 0.010 4.481 4.470 0.001 0.000 0.282 292 S C 1.548 176.181 174.600 0.055 0.000 1.338 292 S CA 0.110 58.341 58.200 0.052 0.000 1.045 292 S CB 1.080 64.290 63.200 0.016 0.000 0.873 292 S HN 0.004 nan 8.310 nan 0.000 0.516 293 K N 2.397 122.842 120.400 0.074 0.000 2.147 293 K HA -0.049 4.272 4.320 0.001 0.000 0.205 293 K C 0.703 177.363 176.600 0.100 0.000 1.049 293 K CA 0.544 56.882 56.287 0.085 0.000 0.936 293 K CB -0.740 31.809 32.500 0.081 0.000 0.722 293 K HN 0.622 nan 8.250 nan 0.000 0.446 294 N N 0.867 119.622 118.700 0.092 0.000 2.402 294 N HA -0.093 4.648 4.740 0.001 0.000 0.259 294 N C 0.641 176.205 175.510 0.090 0.000 1.167 294 N CA -0.050 53.068 53.050 0.113 0.000 0.949 294 N CB -0.019 38.535 38.487 0.112 0.000 1.212 294 N HN 0.126 nan 8.380 nan 0.000 0.493 295 W N 4.628 125.927 121.300 -0.003 0.000 2.305 295 W HA -0.281 4.380 4.660 0.002 0.000 0.308 295 W C 1.857 178.339 176.519 -0.061 0.000 1.226 295 W CA 2.469 59.802 57.345 -0.020 0.000 1.253 295 W CB -0.181 29.275 29.460 -0.007 0.000 1.146 295 W HN 0.706 nan 8.180 nan 0.000 0.507 296 A N -0.064 122.859 122.820 0.171 0.000 1.933 296 A HA -0.233 4.088 4.320 0.001 0.000 0.218 296 A C 2.004 179.213 177.584 -0.625 0.000 1.175 296 A CA 2.013 54.000 52.037 -0.083 0.000 0.628 296 A CB -0.905 18.151 19.000 0.094 0.000 0.814 296 A HN 0.408 nan 8.150 nan 0.000 0.444 297 K N -0.387 119.659 120.400 -0.590 0.000 2.025 297 K HA -0.030 4.291 4.320 0.001 0.000 0.207 297 K C 2.207 178.691 176.600 -0.192 0.000 1.049 297 K CA 1.125 57.081 56.287 -0.552 0.000 0.933 297 K CB -0.344 32.080 32.500 -0.126 0.000 0.714 297 K HN 0.335 nan 8.250 nan 0.000 0.438 298 A N 1.223 123.908 122.820 -0.224 0.000 1.883 298 A HA -0.141 4.180 4.320 0.001 0.000 0.217 298 A C 2.347 179.808 177.584 -0.204 0.000 1.186 298 A CA 2.043 53.962 52.037 -0.197 0.000 0.624 298 A CB -0.952 17.876 19.000 -0.287 0.000 0.822 298 A HN 0.495 nan 8.150 nan 0.000 0.444 299 A N -0.383 122.098 122.820 -0.565 0.000 2.019 299 A HA 0.191 4.512 4.320 0.001 0.000 0.219 299 A C 2.353 179.787 177.584 -0.250 0.000 1.164 299 A CA 1.834 53.519 52.037 -0.586 0.000 0.644 299 A CB -0.813 17.506 19.000 -1.136 0.000 0.805 299 A HN 1.113 nan 8.150 nan 0.000 0.449 300 A N -1.716 120.975 122.820 -0.216 0.000 2.121 300 A HA 0.135 4.455 4.320 0.001 0.000 0.218 300 A C 1.520 178.973 177.584 -0.219 0.000 1.154 300 A CA 0.922 52.843 52.037 -0.194 0.000 0.679 300 A CB -0.599 18.235 19.000 -0.278 0.000 0.795 300 A HN 0.463 nan 8.150 nan 0.000 0.458 301 F N -0.691 119.157 119.950 -0.171 0.000 2.765 301 F HA 0.164 4.691 4.527 0.001 0.000 0.302 301 F C 0.702 176.583 175.800 0.135 0.000 1.111 301 F CA -0.160 57.745 58.000 -0.159 0.000 1.359 301 F CB 0.187 38.891 39.000 -0.494 0.000 1.097 301 F HN -0.165 nan 8.300 nan 0.000 0.577 302 V N 1.023 121.095 119.914 0.264 0.000 2.446 302 V HA 0.231 4.351 4.120 0.001 0.000 0.276 302 V C 0.425 176.552 176.094 0.055 0.000 1.030 302 V CA 0.427 62.791 62.300 0.106 0.000 1.033 302 V CB 0.380 32.057 31.823 -0.243 0.000 0.993 302 V HN 0.251 nan 8.190 nan 0.000 0.477 303 T N 3.729 118.403 114.554 0.199 0.000 2.821 303 T HA 0.558 4.909 4.350 0.001 0.000 0.306 303 T C -1.004 173.931 174.700 0.392 0.000 1.313 303 T CA -0.402 61.832 62.100 0.224 0.000 1.012 303 T CB 2.047 71.022 68.868 0.178 0.000 1.298 303 T HN 0.524 nan 8.240 nan 0.000 0.502 304 S N 3.533 119.442 115.700 0.348 0.000 2.594 304 S HA 0.657 5.128 4.470 0.001 0.000 0.296 304 S C -2.749 172.025 174.600 0.289 0.000 1.124 304 S CA -0.961 57.462 58.200 0.372 0.000 1.011 304 S CB 1.972 65.459 63.200 0.477 0.000 1.016 304 S HN 0.711 nan 8.310 nan 0.000 0.485 305 P HA 0.258 nan 4.420 nan 0.000 0.270 305 P C -2.726 174.672 177.300 0.163 0.000 1.223 305 P CA -1.346 61.818 63.100 0.107 0.000 0.785 305 P CB -0.545 31.173 31.700 0.031 0.000 0.923 306 P HA 0.120 nan 4.420 nan 0.000 0.276 306 P C -0.130 177.348 177.300 0.297 0.000 1.244 306 P CA -0.291 62.966 63.100 0.262 0.000 0.801 306 P CB 0.538 32.286 31.700 0.080 0.000 1.006 307 L N 1.221 122.709 121.223 0.442 0.000 2.499 307 L HA 0.044 4.385 4.340 0.001 0.000 0.273 307 L C 1.368 178.426 176.870 0.314 0.000 1.195 307 L CA 0.677 55.709 54.840 0.320 0.000 0.882 307 L CB -0.164 42.043 42.059 0.246 0.000 1.133 307 L HN 0.525 nan 8.230 nan 0.000 0.483 308 S N 5.452 121.270 115.700 0.196 0.000 2.549 308 S HA 0.173 4.644 4.470 0.001 0.000 0.283 308 S C -1.510 173.166 174.600 0.127 0.000 1.320 308 S CA -0.877 57.410 58.200 0.145 0.000 1.058 308 S CB 0.830 64.083 63.200 0.088 0.000 0.882 308 S HN 0.423 nan 8.310 nan 0.000 0.498 309 P HA 0.054 nan 4.420 nan 0.000 0.233 309 P C -0.309 176.947 177.300 -0.073 0.000 1.167 309 P CA 0.411 63.521 63.100 0.016 0.000 0.770 309 P CB 0.060 31.747 31.700 -0.022 0.000 0.837 310 D N 0.138 120.516 120.400 -0.037 0.000 2.336 310 D HA 0.052 4.693 4.640 0.001 0.000 0.249 310 D C -1.581 174.699 176.300 -0.033 0.000 1.213 310 D CA -2.188 51.779 54.000 -0.056 0.000 0.870 310 D CB 0.911 41.680 40.800 -0.053 0.000 1.076 310 D HN 0.022 nan 8.370 nan 0.000 0.483 311 P HA -0.112 nan 4.420 nan 0.000 0.223 311 P C 1.165 178.470 177.300 0.009 0.000 1.144 311 P CA 1.138 64.225 63.100 -0.022 0.000 0.783 311 P CB 0.042 31.715 31.700 -0.046 0.000 0.771 312 T N -5.800 108.752 114.554 -0.004 0.000 3.088 312 T HA -0.019 4.332 4.350 0.001 0.000 0.259 312 T C 1.575 176.310 174.700 0.058 0.000 1.122 312 T CA 1.035 63.145 62.100 0.017 0.000 1.095 312 T CB -1.426 67.430 68.868 -0.021 0.000 0.930 312 T HN 0.005 nan 8.240 nan 0.000 0.508 313 T N 3.326 117.913 114.554 0.054 0.000 2.652 313 T HA -0.047 4.304 4.350 0.001 0.000 0.267 313 T C -0.315 174.476 174.700 0.152 0.000 1.039 313 T CA 1.685 63.847 62.100 0.103 0.000 1.153 313 T CB -1.320 67.599 68.868 0.084 0.000 0.863 313 T HN 0.468 nan 8.240 nan 0.000 0.428 314 P HA -0.140 nan 4.420 nan 0.000 0.215 314 P C 1.099 178.472 177.300 0.121 0.000 1.157 314 P CA 1.660 64.842 63.100 0.136 0.000 0.874 314 P CB -0.114 31.672 31.700 0.143 0.000 0.790 315 D N -1.840 118.630 120.400 0.116 0.000 2.178 315 D HA -0.202 4.439 4.640 0.001 0.000 0.202 315 D C 2.057 178.423 176.300 0.108 0.000 0.974 315 D CA 0.542 54.599 54.000 0.095 0.000 0.841 315 D CB -0.551 40.299 40.800 0.084 0.000 0.953 315 D HN 0.021 nan 8.370 nan 0.000 0.478 316 Y N 0.705 121.016 120.300 0.018 0.000 2.163 316 Y HA -0.034 4.517 4.550 0.001 0.000 0.288 316 Y C 1.867 177.774 175.900 0.011 0.000 1.136 316 Y CA 1.360 59.466 58.100 0.009 0.000 1.147 316 Y CB -0.227 38.237 38.460 0.006 0.000 0.987 316 Y HN 0.000 nan 8.280 nan 0.000 0.509 317 L N -1.025 120.262 121.223 0.106 0.000 2.083 317 L HA -0.246 4.095 4.340 0.001 0.000 0.209 317 L C 2.241 179.086 176.870 -0.042 0.000 1.083 317 L CA 1.828 56.679 54.840 0.019 0.000 0.752 317 L CB -0.971 41.144 42.059 0.093 0.000 0.899 317 L HN 0.200 nan 8.230 nan 0.000 0.433 318 T N -1.076 113.473 114.554 -0.008 0.000 2.788 318 T HA -0.149 4.201 4.350 0.001 0.000 0.268 318 T C 2.163 176.821 174.700 -0.070 0.000 1.044 318 T CA 1.538 63.628 62.100 -0.017 0.000 1.139 318 T CB -0.073 68.801 68.868 0.009 0.000 0.867 318 T HN 0.264 nan 8.240 nan 0.000 0.454 319 S N 1.213 116.842 115.700 -0.118 0.000 2.368 319 S HA -0.005 4.466 4.470 0.001 0.000 0.225 319 S C 1.887 176.370 174.600 -0.195 0.000 1.030 319 S CA 0.738 58.842 58.200 -0.160 0.000 0.999 319 S CB -0.357 62.716 63.200 -0.211 0.000 0.844 319 S HN 0.191 nan 8.310 nan 0.000 0.459 320 L N 0.871 121.935 121.223 -0.265 0.000 2.141 320 L HA 0.052 4.393 4.340 0.001 0.000 0.209 320 L C 2.040 178.835 176.870 -0.124 0.000 1.094 320 L CA 0.958 55.666 54.840 -0.219 0.000 0.763 320 L CB -0.716 41.194 42.059 -0.248 0.000 0.908 320 L HN 0.267 nan 8.230 nan 0.000 0.437 321 L N -0.647 120.521 121.223 -0.093 0.000 2.093 321 L HA -0.057 4.284 4.340 0.001 0.000 0.208 321 L C 2.480 179.317 176.870 -0.054 0.000 1.085 321 L CA 1.822 56.630 54.840 -0.055 0.000 0.755 321 L CB -0.765 41.277 42.059 -0.028 0.000 0.904 321 L HN 0.173 nan 8.230 nan 0.000 0.435 322 A N -0.830 121.952 122.820 -0.065 0.000 1.933 322 A HA -0.241 4.080 4.320 0.001 0.000 0.218 322 A C 2.328 179.876 177.584 -0.060 0.000 1.175 322 A CA 1.588 53.590 52.037 -0.060 0.000 0.628 322 A CB -1.426 17.534 19.000 -0.067 0.000 0.814 322 A HN 0.754 nan 8.150 nan 0.000 0.444 323 C N -3.023 116.232 119.300 -0.074 0.000 2.626 323 C HA 0.558 5.019 4.460 0.001 0.000 0.266 323 C C 1.851 176.804 174.990 -0.061 0.000 1.317 323 C CA 0.167 59.144 59.018 -0.067 0.000 1.716 323 C CB -0.683 27.010 27.740 -0.079 0.000 1.819 323 C HN 1.575 nan 8.230 nan 0.000 0.578 324 G N 0.688 109.452 108.800 -0.059 0.000 2.179 324 G HA2 -0.213 3.748 3.960 0.001 0.000 0.220 324 G HA3 -0.213 3.748 3.960 0.001 0.000 0.220 324 G C 0.419 175.279 174.900 -0.066 0.000 0.990 324 G CA 0.457 45.526 45.100 -0.052 0.000 0.646 324 G HN 0.452 nan 8.290 nan 0.000 0.517 325 D N 0.192 120.544 120.400 -0.080 0.000 2.269 325 D HA 0.100 4.740 4.640 0.001 0.000 0.208 325 D C 1.267 177.516 176.300 -0.084 0.000 0.963 325 D CA 0.865 54.811 54.000 -0.090 0.000 0.864 325 D CB 0.274 41.018 40.800 -0.094 0.000 0.936 325 D HN 0.470 nan 8.370 nan 0.000 0.505 326 L N 0.301 121.485 121.223 -0.066 0.000 2.365 326 L HA 0.254 4.595 4.340 0.001 0.000 0.273 326 L C 0.479 177.335 176.870 -0.024 0.000 1.000 326 L CA -0.537 54.274 54.840 -0.048 0.000 0.819 326 L CB 2.239 44.274 42.059 -0.041 0.000 1.284 326 L HN -0.371 nan 8.230 nan 0.000 0.418 327 Q N 1.066 120.869 119.800 0.004 0.000 2.391 327 Q HA 0.192 4.533 4.340 0.001 0.000 0.243 327 Q C -0.091 175.930 176.000 0.035 0.000 0.874 327 Q CA 0.218 56.045 55.803 0.039 0.000 0.950 327 Q CB 1.006 29.823 28.738 0.132 0.000 1.103 327 Q HN 0.558 nan 8.270 nan 0.000 0.544 328 V N -2.252 117.682 119.914 0.034 0.000 3.102 328 V HA 0.932 5.053 4.120 0.001 0.000 0.312 328 V C -0.544 175.590 176.094 0.066 0.000 1.135 328 V CA -0.730 61.607 62.300 0.062 0.000 1.022 328 V CB 1.914 33.823 31.823 0.143 0.000 1.056 328 V HN 0.138 nan 8.190 nan 0.000 0.436 329 T N -0.374 114.223 114.554 0.073 0.000 2.841 329 T HA 0.913 5.264 4.350 0.001 0.000 0.283 329 T C 0.029 174.803 174.700 0.123 0.000 1.000 329 T CA 0.053 62.204 62.100 0.086 0.000 0.977 329 T CB 1.297 70.196 68.868 0.052 0.000 0.979 329 T HN 1.664 nan 8.240 nan 0.000 0.446 330 G N 0.124 109.018 108.800 0.156 0.000 3.105 330 G HA2 0.582 4.543 3.960 0.001 0.000 0.277 330 G HA3 0.582 4.543 3.960 0.001 0.000 0.277 330 G C 0.401 175.415 174.900 0.190 0.000 1.375 330 G CA -0.253 44.957 45.100 0.184 0.000 0.962 330 G HN 1.060 nan 8.290 nan 0.000 0.541 331 S N -2.821 113.009 115.700 0.217 0.000 2.613 331 S HA 0.358 4.828 4.470 0.001 0.000 0.235 331 S C 1.823 176.580 174.600 0.261 0.000 1.073 331 S CA 1.271 59.616 58.200 0.242 0.000 0.899 331 S CB 0.311 63.658 63.200 0.246 0.000 0.818 331 S HN 2.484 nan 8.310 nan 0.000 0.484 332 G N 1.521 110.498 108.800 0.295 0.000 2.203 332 G HA2 -0.329 3.632 3.960 0.001 0.000 0.263 332 G HA3 -0.329 3.632 3.960 0.001 0.000 0.263 332 G C -0.052 175.016 174.900 0.280 0.000 1.012 332 G CA 0.571 45.859 45.100 0.314 0.000 0.749 332 G HN 0.967 nan 8.290 nan 0.000 0.512 333 H N -0.312 118.876 119.070 0.197 0.000 3.187 333 H HA 0.294 4.851 4.556 0.001 0.000 0.286 333 H C 1.092 176.493 175.328 0.121 0.000 0.944 333 H CA 1.353 57.475 56.048 0.124 0.000 1.429 333 H CB -0.163 29.646 29.762 0.079 0.000 1.483 333 H HN 0.958 nan 8.280 nan 0.000 0.555 334 C N 5.887 125.003 119.300 -0.306 0.000 2.629 334 C HA 0.267 4.727 4.460 0.001 0.000 0.252 334 C C -3.108 171.695 174.990 -0.311 0.000 0.933 334 C CA -1.401 57.492 59.018 -0.209 0.000 0.891 334 C CB -1.025 26.742 27.740 0.045 0.000 1.708 334 C HN 0.596 nan 8.230 nan 0.000 0.711 335 P HA 0.449 nan 4.420 nan 0.000 0.276 335 P C -1.246 175.848 177.300 -0.344 0.000 1.244 335 P CA 0.505 63.443 63.100 -0.270 0.000 0.801 335 P CB 1.173 32.700 31.700 -0.289 0.000 1.006 336 Y N -1.031 119.237 120.300 -0.052 0.000 2.499 336 Y HA 0.279 4.830 4.550 0.001 0.000 0.347 336 Y C 1.180 177.095 175.900 0.024 0.000 0.987 336 Y CA -0.467 57.630 58.100 -0.006 0.000 1.044 336 Y CB 1.755 40.218 38.460 0.005 0.000 1.245 336 Y HN 0.346 nan 8.280 nan 0.000 0.461 337 S N -0.634 115.174 115.700 0.179 0.000 2.600 337 S HA 0.062 4.533 4.470 0.001 0.000 0.265 337 S C 0.917 175.630 174.600 0.188 0.000 1.325 337 S CA -0.033 58.261 58.200 0.157 0.000 1.002 337 S CB 0.951 64.226 63.200 0.124 0.000 0.921 337 S HN 0.745 nan 8.310 nan 0.000 0.554 338 T N 1.835 116.510 114.554 0.203 0.000 2.759 338 T HA -0.112 4.239 4.350 0.001 0.000 0.269 338 T C 2.148 176.967 174.700 0.199 0.000 1.042 338 T CA 1.676 63.914 62.100 0.230 0.000 1.140 338 T CB -0.962 68.068 68.868 0.271 0.000 0.864 338 T HN 0.825 nan 8.240 nan 0.000 0.455 339 A N 1.408 124.320 122.820 0.153 0.000 1.902 339 A HA -0.188 4.133 4.320 0.001 0.000 0.217 339 A C 2.303 179.955 177.584 0.114 0.000 1.181 339 A CA 1.598 53.703 52.037 0.114 0.000 0.623 339 A CB -0.611 18.443 19.000 0.089 0.000 0.818 339 A HN 0.572 nan 8.150 nan 0.000 0.443 340 Q N -0.637 119.246 119.800 0.138 0.000 2.079 340 Q HA -0.118 4.223 4.340 0.001 0.000 0.200 340 Q C 2.011 178.079 176.000 0.113 0.000 0.974 340 Q CA 1.176 57.060 55.803 0.135 0.000 0.840 340 Q CB -0.155 28.719 28.738 0.226 0.000 0.898 340 Q HN 0.420 nan 8.270 nan 0.000 0.430 341 K N 0.842 121.340 120.400 0.162 0.000 2.057 341 K HA -0.089 4.232 4.320 0.001 0.000 0.207 341 K C 2.025 178.826 176.600 0.334 0.000 1.049 341 K CA 1.199 57.601 56.287 0.190 0.000 0.931 341 K CB -0.450 32.165 32.500 0.192 0.000 0.714 341 K HN 0.175 nan 8.250 nan 0.000 0.440 342 A N 1.620 124.613 122.820 0.287 0.000 2.139 342 A HA -0.111 4.210 4.320 0.001 0.000 0.221 342 A C 2.432 180.007 177.584 -0.016 0.000 1.159 342 A CA 1.725 53.813 52.037 0.085 0.000 0.662 342 A CB -1.060 17.945 19.000 0.009 0.000 0.796 342 A HN 0.222 nan 8.150 nan 0.000 0.463 343 V N -1.364 118.575 119.914 0.042 0.000 2.982 343 V HA 0.093 4.214 4.120 0.001 0.000 0.265 343 V C 1.762 177.852 176.094 -0.006 0.000 1.122 343 V CA 2.177 64.477 62.300 -0.001 0.000 1.143 343 V CB -0.774 31.049 31.823 0.000 0.000 0.726 343 V HN 0.583 nan 8.190 nan 0.000 0.507 344 G N -0.165 108.670 108.800 0.058 0.000 4.100 344 G HA2 0.263 4.224 3.960 0.001 0.000 0.294 344 G HA3 0.263 4.224 3.960 0.001 0.000 0.294 344 G C 0.972 175.933 174.900 0.103 0.000 1.040 344 G CA 0.486 45.635 45.100 0.081 0.000 0.829 344 G HN 0.682 nan 8.290 nan 0.000 0.505 345 K N -0.169 120.080 120.400 -0.252 0.000 2.286 345 K HA -0.124 4.197 4.320 0.001 0.000 0.203 345 K C 0.845 177.232 176.600 -0.355 0.000 1.045 345 K CA 1.686 57.479 56.287 -0.822 0.000 0.935 345 K CB 0.104 32.046 32.500 -0.930 0.000 0.737 345 K HN 0.146 nan 8.250 nan 0.000 0.460 346 D N 0.290 120.609 120.400 -0.136 0.000 2.566 346 D HA -0.033 4.608 4.640 0.001 0.000 0.253 346 D C 0.093 176.408 176.300 0.026 0.000 0.992 346 D CA 0.405 54.371 54.000 -0.057 0.000 0.940 346 D CB -0.111 40.644 40.800 -0.076 0.000 1.095 346 D HN 0.111 nan 8.370 nan 0.000 0.480 347 N N 1.025 119.725 118.700 0.000 0.000 2.437 347 N HA 0.026 4.766 4.740 0.001 0.000 0.259 347 N C 0.617 176.118 175.510 -0.015 0.000 0.983 347 N CA -0.411 52.599 53.050 -0.067 0.000 0.937 347 N CB 1.025 39.431 38.487 -0.135 0.000 1.122 347 N HN -0.092 nan 8.380 nan 0.000 0.499 348 F N 2.147 122.138 119.950 0.069 0.000 2.333 348 F HA -0.026 4.502 4.527 0.001 0.000 0.300 348 F C 1.925 177.740 175.800 0.024 0.000 1.083 348 F CA 1.022 59.056 58.000 0.057 0.000 1.395 348 F CB -1.108 37.898 39.000 0.010 0.000 1.056 348 F HN 0.418 nan 8.300 nan 0.000 0.529 349 T N -1.770 112.508 114.554 -0.460 0.000 3.160 349 T HA 0.129 4.480 4.350 0.001 0.000 0.257 349 T C 1.210 175.850 174.700 -0.100 0.000 1.147 349 T CA 0.639 62.599 62.100 -0.233 0.000 1.064 349 T CB -0.712 67.927 68.868 -0.380 0.000 0.949 349 T HN 0.512 nan 8.240 nan 0.000 0.526 350 L N 0.344 121.521 121.223 -0.076 0.000 2.728 350 L HA 0.495 4.836 4.340 0.001 0.000 0.238 350 L C 0.296 177.150 176.870 -0.026 0.000 1.143 350 L CA -0.343 54.465 54.840 -0.053 0.000 0.937 350 L CB 0.080 42.107 42.059 -0.053 0.000 1.225 350 L HN 0.256 nan 8.230 nan 0.000 0.507 351 I N 1.917 122.486 120.570 -0.002 0.000 2.416 351 I HA 0.179 4.349 4.170 0.001 0.000 0.288 351 I C -1.991 174.043 176.117 -0.139 0.000 1.051 351 I CA -1.872 59.416 61.300 -0.019 0.000 1.375 351 I CB 0.845 38.839 38.000 -0.009 0.000 1.407 351 I HN -0.194 nan 8.210 nan 0.000 0.516 352 P HA 0.065 nan 4.420 nan 0.000 0.268 352 P C -0.964 176.109 177.300 -0.379 0.000 1.204 352 P CA -0.102 62.696 63.100 -0.502 0.000 0.768 352 P CB 0.378 31.448 31.700 -1.051 0.000 0.842 353 E N 1.656 121.712 120.200 -0.240 0.000 2.259 353 E HA 0.587 4.938 4.350 0.001 0.000 0.281 353 E C 0.263 176.925 176.600 0.103 0.000 1.027 353 E CA -0.527 55.842 56.400 -0.052 0.000 0.838 353 E CB 0.814 30.543 29.700 0.048 0.000 1.066 353 E HN 0.639 nan 8.360 nan 0.000 0.401 354 G N 0.730 109.597 108.800 0.111 0.000 2.322 354 G HA2 0.308 4.269 3.960 0.001 0.000 0.289 354 G HA3 0.308 4.269 3.960 0.001 0.000 0.289 354 G C -1.026 173.890 174.900 0.028 0.000 1.687 354 G CA -0.478 44.695 45.100 0.122 0.000 0.944 354 G HN 0.534 nan 8.290 nan 0.000 0.718 355 V N -0.856 119.021 119.914 -0.062 0.000 3.141 355 V HA 0.884 5.005 4.120 0.001 0.000 0.312 355 V C 0.148 176.106 176.094 -0.227 0.000 1.157 355 V CA -0.941 61.265 62.300 -0.158 0.000 1.041 355 V CB 1.959 33.677 31.823 -0.176 0.000 1.071 355 V HN 1.244 nan 8.190 nan 0.000 0.441 356 N N 0.311 118.877 118.700 -0.224 0.000 2.413 356 N HA 0.678 5.419 4.740 0.001 0.000 0.266 356 N C 0.523 176.135 175.510 0.170 0.000 1.238 356 N CA 0.165 53.141 53.050 -0.123 0.000 0.972 356 N CB 1.707 40.189 38.487 -0.010 0.000 1.210 356 N HN 1.689 nan 8.380 nan 0.000 0.547 357 G N -1.047 108.023 108.800 0.450 0.000 3.859 357 G HA2 -0.149 3.812 3.960 0.001 0.000 0.220 357 G HA3 -0.149 3.812 3.960 0.001 0.000 0.220 357 G C 0.734 175.806 174.900 0.287 0.000 0.892 357 G CA 0.040 45.405 45.100 0.442 0.000 0.858 357 G HN 0.546 nan 8.290 nan 0.000 0.625 358 I N 0.854 121.557 120.570 0.222 0.000 2.286 358 I HA -0.022 4.149 4.170 0.001 0.000 0.248 358 I C 2.261 178.347 176.117 -0.052 0.000 1.115 358 I CA 2.280 63.557 61.300 -0.039 0.000 1.392 358 I CB 0.155 37.911 38.000 -0.407 0.000 1.065 358 I HN 0.389 nan 8.210 nan 0.000 0.418 359 E N 0.387 120.555 120.200 -0.053 0.000 2.076 359 E HA -0.223 4.128 4.350 0.001 0.000 0.190 359 E C 1.804 178.407 176.600 0.005 0.000 0.979 359 E CA 0.992 57.362 56.400 -0.049 0.000 0.807 359 E CB 0.149 29.814 29.700 -0.058 0.000 0.761 359 E HN 0.497 nan 8.360 nan 0.000 0.454 360 E N 0.408 120.641 120.200 0.055 0.000 2.358 360 E HA -0.066 4.285 4.350 0.001 0.000 0.195 360 E C 1.722 178.312 176.600 -0.017 0.000 1.010 360 E CA 0.160 56.561 56.400 0.002 0.000 0.856 360 E CB -0.106 29.568 29.700 -0.044 0.000 0.795 360 E HN 0.141 nan 8.360 nan 0.000 0.504 361 R N 0.746 121.273 120.500 0.045 0.000 2.179 361 R HA -0.277 4.064 4.340 0.001 0.000 0.238 361 R C 2.019 178.391 176.300 0.120 0.000 1.119 361 R CA 2.461 58.603 56.100 0.069 0.000 0.915 361 R CB -0.324 30.030 30.300 0.089 0.000 0.870 361 R HN 0.204 nan 8.270 nan 0.000 0.432 362 M N -0.536 119.168 119.600 0.173 0.000 2.159 362 M HA -0.154 4.327 4.480 0.001 0.000 0.263 362 M C 2.244 178.854 176.300 0.517 0.000 1.063 362 M CA 2.123 57.614 55.300 0.317 0.000 1.110 362 M CB -0.137 32.634 32.600 0.287 0.000 1.374 362 M HN 0.329 nan 8.290 nan 0.000 0.411 363 T N 0.201 115.022 114.554 0.444 0.000 2.737 363 T HA -0.105 4.246 4.350 0.001 0.000 0.265 363 T C 1.861 176.722 174.700 0.269 0.000 1.038 363 T CA 1.326 63.674 62.100 0.415 0.000 1.144 363 T CB -0.301 68.659 68.868 0.153 0.000 0.866 363 T HN 0.134 nan 8.240 nan 0.000 0.434 364 V N 1.250 121.215 119.914 0.084 0.000 2.295 364 V HA -0.148 3.972 4.120 0.001 0.000 0.246 364 V C 2.668 178.828 176.094 0.109 0.000 1.049 364 V CA 1.353 63.637 62.300 -0.027 0.000 1.024 364 V CB -0.641 31.001 31.823 -0.300 0.000 0.648 364 V HN 0.308 nan 8.190 nan 0.000 0.447 365 V N -0.692 119.337 119.914 0.192 0.000 2.343 365 V HA -0.283 3.837 4.120 0.001 0.000 0.247 365 V C 2.111 178.369 176.094 0.273 0.000 1.051 365 V CA 2.281 64.727 62.300 0.242 0.000 1.036 365 V CB -0.720 31.284 31.823 0.301 0.000 0.654 365 V HN 0.796 nan 8.190 nan 0.000 0.451 366 W N 1.310 122.693 121.300 0.138 0.000 2.358 366 W HA -0.226 4.435 4.660 0.002 0.000 0.303 366 W C 2.194 178.704 176.519 -0.016 0.000 1.208 366 W CA 2.323 59.568 57.345 -0.166 0.000 1.274 366 W CB -0.369 28.917 29.460 -0.289 0.000 1.138 366 W HN 0.452 nan 8.180 nan 0.000 0.515 367 D N 0.163 120.735 120.400 0.287 0.000 2.117 367 D HA -0.188 4.453 4.640 0.001 0.000 0.198 367 D C 2.118 178.465 176.300 0.079 0.000 0.982 367 D CA 1.752 55.886 54.000 0.223 0.000 0.828 367 D CB -0.044 40.896 40.800 0.233 0.000 0.967 367 D HN -0.139 nan 8.370 nan 0.000 0.464 368 K N -0.285 120.152 120.400 0.061 0.000 2.296 368 K HA 0.150 4.471 4.320 0.001 0.000 0.200 368 K C 1.545 178.133 176.600 -0.020 0.000 1.048 368 K CA 0.810 57.118 56.287 0.035 0.000 0.966 368 K CB 0.374 32.910 32.500 0.060 0.000 0.754 368 K HN 0.199 nan 8.250 nan 0.000 0.466 369 A N 0.174 122.954 122.820 -0.067 0.000 1.999 369 A HA 0.083 4.404 4.320 0.001 0.000 0.200 369 A C 2.181 179.621 177.584 -0.240 0.000 1.363 369 A CA 0.177 52.149 52.037 -0.109 0.000 0.844 369 A CB 0.107 19.081 19.000 -0.042 0.000 0.954 369 A HN -0.007 nan 8.150 nan 0.000 0.481 370 V N -0.111 119.518 119.914 -0.474 0.000 2.436 370 V HA 0.022 4.143 4.120 0.001 0.000 0.240 370 V C 2.907 178.671 176.094 -0.550 0.000 1.040 370 V CA 1.466 63.326 62.300 -0.733 0.000 1.052 370 V CB -1.104 29.702 31.823 -1.694 0.000 0.707 370 V HN 0.480 nan 8.190 nan 0.000 0.469 371 A N 1.198 123.723 122.820 -0.491 0.000 2.024 371 A HA -0.220 4.101 4.320 0.001 0.000 0.220 371 A C 2.313 179.807 177.584 -0.150 0.000 1.164 371 A CA 2.446 54.360 52.037 -0.205 0.000 0.643 371 A CB -0.855 18.138 19.000 -0.013 0.000 0.806 371 A HN 0.662 nan 8.150 nan 0.000 0.451 372 T N -4.893 109.577 114.554 -0.140 0.000 3.081 372 T HA 0.390 4.741 4.350 0.001 0.000 0.255 372 T C 1.473 176.115 174.700 -0.097 0.000 1.113 372 T CA 1.078 63.123 62.100 -0.092 0.000 1.082 372 T CB 0.112 68.944 68.868 -0.060 0.000 0.939 372 T HN 1.661 nan 8.240 nan 0.000 0.506 373 G N 1.572 110.292 108.800 -0.134 0.000 2.176 373 G HA2 -0.295 3.665 3.960 0.001 0.000 0.253 373 G HA3 -0.295 3.665 3.960 0.001 0.000 0.253 373 G C 0.850 175.691 174.900 -0.099 0.000 0.979 373 G CA 0.437 45.469 45.100 -0.113 0.000 0.641 373 G HN 0.533 nan 8.290 nan 0.000 0.530 374 K N -0.508 119.831 120.400 -0.102 0.000 2.057 374 K HA 0.108 4.429 4.320 0.001 0.000 0.207 374 K C 1.540 178.088 176.600 -0.087 0.000 1.049 374 K CA 1.649 57.886 56.287 -0.083 0.000 0.931 374 K CB -0.101 32.355 32.500 -0.074 0.000 0.714 374 K HN 0.766 nan 8.250 nan 0.000 0.440 375 M N -0.005 119.526 119.600 -0.116 0.000 2.618 375 M HA 0.297 4.778 4.480 0.001 0.000 0.281 375 M C -1.719 174.492 176.300 -0.148 0.000 1.267 375 M CA -1.204 54.034 55.300 -0.103 0.000 0.845 375 M CB 2.209 34.764 32.600 -0.075 0.000 1.732 375 M HN -0.169 nan 8.290 nan 0.000 0.461 376 D N 0.401 120.739 120.400 -0.104 0.000 2.478 376 D HA 0.216 4.857 4.640 0.001 0.000 0.263 376 D C 0.849 177.094 176.300 -0.092 0.000 1.153 376 D CA -0.285 53.648 54.000 -0.113 0.000 1.038 376 D CB 0.403 41.174 40.800 -0.048 0.000 1.120 376 D HN 0.753 nan 8.370 nan 0.000 0.564 377 E N 0.645 120.816 120.200 -0.048 0.000 2.160 377 E HA -0.285 4.066 4.350 0.001 0.000 0.195 377 E C 0.930 177.623 176.600 0.155 0.000 0.991 377 E CA 1.337 57.794 56.400 0.096 0.000 0.810 377 E CB -0.785 29.029 29.700 0.191 0.000 0.742 377 E HN 0.547 nan 8.360 nan 0.000 0.466 378 N N 1.178 119.927 118.700 0.082 0.000 2.142 378 N HA -0.126 4.615 4.740 0.001 0.000 0.186 378 N C 1.931 177.471 175.510 0.051 0.000 1.023 378 N CA 1.429 54.520 53.050 0.068 0.000 0.852 378 N CB -0.161 38.355 38.487 0.049 0.000 0.998 378 N HN 0.267 nan 8.380 nan 0.000 0.424 379 Q N -0.616 119.207 119.800 0.037 0.000 2.297 379 Q HA -0.061 4.280 4.340 0.001 0.000 0.204 379 Q C 1.328 177.349 176.000 0.035 0.000 0.962 379 Q CA 0.652 56.464 55.803 0.015 0.000 0.879 379 Q CB -0.083 28.651 28.738 -0.006 0.000 0.947 379 Q HN 0.398 nan 8.270 nan 0.000 0.462 380 F N 0.466 120.368 119.950 -0.080 0.000 2.146 380 F HA -0.174 4.353 4.527 0.001 0.000 0.298 380 F C 1.843 177.611 175.800 -0.053 0.000 1.096 380 F CA 0.940 58.893 58.000 -0.079 0.000 1.275 380 F CB -0.204 38.754 39.000 -0.069 0.000 1.008 380 F HN -0.211 nan 8.300 nan 0.000 0.480 381 V N 0.707 120.566 119.914 -0.091 0.000 2.343 381 V HA -0.294 3.827 4.120 0.001 0.000 0.247 381 V C 2.794 178.785 176.094 -0.171 0.000 1.051 381 V CA 1.760 63.953 62.300 -0.178 0.000 1.036 381 V CB -1.672 30.136 31.823 -0.024 0.000 0.654 381 V HN 0.477 nan 8.190 nan 0.000 0.451 382 A N 0.698 123.459 122.820 -0.098 0.000 1.883 382 A HA -0.168 4.152 4.320 0.001 0.000 0.217 382 A C 2.304 179.829 177.584 -0.098 0.000 1.186 382 A CA 2.318 54.307 52.037 -0.079 0.000 0.624 382 A CB -0.781 18.188 19.000 -0.052 0.000 0.822 382 A HN 0.740 nan 8.150 nan 0.000 0.444 383 V N -2.239 117.600 119.914 -0.125 0.000 3.380 383 V HA -0.013 4.108 4.120 0.001 0.000 0.268 383 V C 1.770 177.771 176.094 -0.154 0.000 1.168 383 V CA 2.006 64.243 62.300 -0.106 0.000 1.156 383 V CB -1.208 30.573 31.823 -0.071 0.000 0.785 383 V HN 0.672 nan 8.190 nan 0.000 0.487 384 T N -2.794 111.589 114.554 -0.284 0.000 3.001 384 T HA 0.275 4.626 4.350 0.001 0.000 0.251 384 T C 1.361 175.958 174.700 -0.170 0.000 1.040 384 T CA 0.846 62.770 62.100 -0.295 0.000 0.985 384 T CB 0.382 68.884 68.868 -0.610 0.000 1.011 384 T HN 0.801 nan 8.240 nan 0.000 0.509 385 S N 0.087 115.710 115.700 -0.129 0.000 4.428 385 S HA 0.044 4.515 4.470 0.001 0.000 0.199 385 S C 1.763 176.360 174.600 -0.005 0.000 1.156 385 S CA 0.631 58.800 58.200 -0.053 0.000 1.134 385 S CB -0.523 62.642 63.200 -0.059 0.000 1.531 385 S HN 0.214 nan 8.310 nan 0.000 0.551 386 T N 3.735 118.283 114.554 -0.009 0.000 2.665 386 T HA -0.083 4.268 4.350 0.001 0.000 0.268 386 T C 1.621 176.290 174.700 -0.051 0.000 1.035 386 T CA 2.033 64.146 62.100 0.023 0.000 1.151 386 T CB -0.772 68.108 68.868 0.020 0.000 0.862 386 T HN 0.426 nan 8.240 nan 0.000 0.438 387 N N 1.505 120.164 118.700 -0.068 0.000 2.120 387 N HA 0.005 4.746 4.740 0.001 0.000 0.188 387 N C 2.145 177.630 175.510 -0.040 0.000 1.024 387 N CA 1.341 54.338 53.050 -0.088 0.000 0.852 387 N CB -0.710 37.759 38.487 -0.031 0.000 1.003 387 N HN 0.478 nan 8.380 nan 0.000 0.424 388 A N 0.873 123.718 122.820 0.041 0.000 1.902 388 A HA 0.010 4.331 4.320 0.001 0.000 0.217 388 A C 2.352 180.031 177.584 0.158 0.000 1.181 388 A CA 1.951 54.083 52.037 0.157 0.000 0.623 388 A CB -0.846 18.261 19.000 0.179 0.000 0.818 388 A HN 0.318 nan 8.150 nan 0.000 0.443 389 A N -0.155 122.721 122.820 0.094 0.000 1.902 389 A HA -0.156 4.165 4.320 0.001 0.000 0.217 389 A C 2.105 179.732 177.584 0.071 0.000 1.181 389 A CA 1.804 53.909 52.037 0.114 0.000 0.623 389 A CB -0.409 18.690 19.000 0.165 0.000 0.818 389 A HN 0.554 nan 8.150 nan 0.000 0.443 390 K N -0.514 119.847 120.400 -0.065 0.000 2.097 390 K HA 0.028 4.349 4.320 0.001 0.000 0.205 390 K C 1.719 178.235 176.600 -0.139 0.000 1.050 390 K CA 1.353 57.524 56.287 -0.194 0.000 0.938 390 K CB -0.280 31.890 32.500 -0.549 0.000 0.718 390 K HN 0.530 nan 8.250 nan 0.000 0.442 391 I N -0.286 120.170 120.570 -0.190 0.000 2.353 391 I HA -0.182 3.989 4.170 0.001 0.000 0.248 391 I C 1.155 176.969 176.117 -0.505 0.000 1.119 391 I CA 1.112 62.180 61.300 -0.387 0.000 1.417 391 I CB 0.053 37.675 38.000 -0.631 0.000 1.078 391 I HN 0.020 nan 8.210 nan 0.000 0.421 392 F N 0.441 120.353 119.950 -0.064 0.000 2.660 392 F HA 0.213 4.741 4.527 0.002 0.000 0.302 392 F C 0.780 176.542 175.800 -0.064 0.000 1.103 392 F CA -0.194 57.757 58.000 -0.081 0.000 1.340 392 F CB -0.500 38.436 39.000 -0.107 0.000 1.048 392 F HN 0.037 nan 8.300 nan 0.000 0.551 393 N N 0.798 119.547 118.700 0.082 0.000 2.783 393 N HA -0.187 4.554 4.740 0.001 0.000 0.247 393 N C -0.153 175.391 175.510 0.056 0.000 1.089 393 N CA 0.458 53.549 53.050 0.069 0.000 0.690 393 N CB -1.423 37.098 38.487 0.056 0.000 0.991 393 N HN 0.380 nan 8.380 nan 0.000 0.552 394 L N -0.993 120.275 121.223 0.074 0.000 3.259 394 L HA 0.198 4.538 4.340 0.001 0.000 0.292 394 L C 1.609 178.522 176.870 0.071 0.000 1.219 394 L CA -0.577 54.284 54.840 0.035 0.000 1.035 394 L CB -0.159 41.904 42.059 0.005 0.000 1.424 394 L HN 0.175 nan 8.230 nan 0.000 0.603 395 Y N 3.797 124.082 120.300 -0.025 0.000 1.827 395 Y HA -0.274 4.277 4.550 0.002 0.000 0.201 395 Y C -0.579 175.304 175.900 -0.027 0.000 0.995 395 Y CA 2.321 60.402 58.100 -0.032 0.000 0.948 395 Y CB -1.693 36.743 38.460 -0.040 0.000 0.858 395 Y HN 0.070 nan 8.280 nan 0.000 0.559 396 P HA -0.312 nan 4.420 nan 0.000 0.217 396 P C 1.570 178.665 177.300 -0.341 0.000 1.158 396 P CA 2.940 65.592 63.100 -0.747 0.000 0.887 396 P CB -0.433 30.988 31.700 -0.465 0.000 0.792 397 R N -0.077 120.308 120.500 -0.193 0.000 2.096 397 R HA -0.124 4.217 4.340 0.001 0.000 0.240 397 R C 0.569 176.809 176.300 -0.100 0.000 1.139 397 R CA 1.448 57.476 56.100 -0.120 0.000 0.952 397 R CB -0.009 30.238 30.300 -0.088 0.000 0.854 397 R HN 0.125 nan 8.270 nan 0.000 0.436 398 K N -1.516 118.836 120.400 -0.080 0.000 2.281 398 K HA 0.283 4.604 4.320 0.001 0.000 0.242 398 K C 0.134 176.729 176.600 -0.007 0.000 0.971 398 K CA -0.058 56.205 56.287 -0.041 0.000 0.834 398 K CB 1.656 34.142 32.500 -0.024 0.000 1.181 398 K HN 0.313 nan 8.250 nan 0.000 0.435 399 G N 1.169 109.972 108.800 0.006 0.000 2.160 399 G HA2 -0.302 3.659 3.960 0.001 0.000 0.251 399 G HA3 -0.302 3.659 3.960 0.001 0.000 0.251 399 G C 0.040 174.976 174.900 0.060 0.000 1.008 399 G CA 0.844 45.970 45.100 0.042 0.000 0.724 399 G HN 0.536 nan 8.290 nan 0.000 0.514 400 R N -0.574 119.927 120.500 0.002 0.000 2.522 400 R HA 0.437 4.778 4.340 0.001 0.000 0.273 400 R C -0.716 175.579 176.300 -0.008 0.000 1.133 400 R CA -1.119 54.983 56.100 0.004 0.000 0.969 400 R CB 0.604 30.867 30.300 -0.060 0.000 1.235 400 R HN 0.018 nan 8.270 nan 0.000 0.433 401 I N 3.897 124.485 120.570 0.029 0.000 2.294 401 I HA 0.419 4.590 4.170 0.001 0.000 0.295 401 I C -0.005 176.154 176.117 0.069 0.000 1.098 401 I CA 0.146 61.467 61.300 0.035 0.000 1.277 401 I CB 0.299 38.315 38.000 0.028 0.000 1.434 401 I HN 0.702 nan 8.210 nan 0.000 0.498 402 A N 5.871 128.709 122.820 0.031 0.000 2.589 402 A HA 0.570 4.890 4.320 0.001 0.000 0.296 402 A C -0.748 176.842 177.584 0.010 0.000 1.062 402 A CA -0.594 51.463 52.037 0.033 0.000 0.686 402 A CB 1.133 20.128 19.000 -0.007 0.000 1.282 402 A HN 0.180 nan 8.150 nan 0.000 0.404 403 V N 1.821 121.750 119.914 0.024 0.000 2.584 403 V HA 0.356 4.477 4.120 0.001 0.000 0.303 403 V C 1.674 177.761 176.094 -0.011 0.000 1.035 403 V CA 2.372 64.682 62.300 0.016 0.000 1.172 403 V CB 0.235 32.074 31.823 0.027 0.000 0.896 403 V HN 2.428 nan 8.190 nan 0.000 0.486 404 G N 3.761 112.550 108.800 -0.018 0.000 2.258 404 G HA2 -0.237 3.724 3.960 0.001 0.000 0.233 404 G HA3 -0.237 3.724 3.960 0.001 0.000 0.233 404 G C 0.436 175.306 174.900 -0.050 0.000 1.006 404 G CA 0.159 45.239 45.100 -0.032 0.000 0.620 404 G HN 0.758 nan 8.290 nan 0.000 0.511 405 S N 1.154 116.820 115.700 -0.057 0.000 2.624 405 S HA 0.503 4.974 4.470 0.001 0.000 0.263 405 S C -0.016 174.550 174.600 -0.056 0.000 1.287 405 S CA -0.433 57.723 58.200 -0.072 0.000 0.990 405 S CB 0.827 63.976 63.200 -0.086 0.000 0.950 405 S HN 0.352 nan 8.310 nan 0.000 0.561 406 D N 1.282 121.647 120.400 -0.058 0.000 2.414 406 D HA 0.310 4.951 4.640 0.001 0.000 0.242 406 D C 0.007 176.284 176.300 -0.039 0.000 1.129 406 D CA 0.045 54.016 54.000 -0.048 0.000 0.885 406 D CB 0.546 41.316 40.800 -0.049 0.000 1.198 406 D HN 0.552 nan 8.370 nan 0.000 0.437 407 A N 2.515 125.313 122.820 -0.036 0.000 3.077 407 A HA 0.097 4.418 4.320 0.001 0.000 0.255 407 A C -0.421 177.153 177.584 -0.016 0.000 1.728 407 A CA -0.317 51.702 52.037 -0.030 0.000 1.383 407 A CB -0.343 18.632 19.000 -0.042 0.000 1.097 407 A HN 0.236 nan 8.150 nan 0.000 0.634 408 D N 0.920 121.312 120.400 -0.013 0.000 2.473 408 D HA 0.443 5.084 4.640 0.001 0.000 0.226 408 D C -0.512 175.792 176.300 0.007 0.000 1.089 408 D CA 0.244 54.243 54.000 -0.001 0.000 0.883 408 D CB 1.416 42.212 40.800 -0.006 0.000 1.029 408 D HN 0.124 nan 8.370 nan 0.000 0.517 409 V N 1.582 121.507 119.914 0.018 0.000 2.823 409 V HA 0.584 4.705 4.120 0.001 0.000 0.312 409 V C 0.016 176.142 176.094 0.054 0.000 1.072 409 V CA -0.895 61.422 62.300 0.028 0.000 0.937 409 V CB 2.639 34.474 31.823 0.020 0.000 1.013 409 V HN 0.132 nan 8.190 nan 0.000 0.430 410 V N 4.127 124.084 119.914 0.073 0.000 2.709 410 V HA 0.520 4.641 4.120 0.001 0.000 0.308 410 V C -0.558 175.614 176.094 0.130 0.000 1.062 410 V CA -0.428 61.943 62.300 0.119 0.000 0.901 410 V CB 2.152 34.079 31.823 0.173 0.000 1.003 410 V HN 0.703 nan 8.190 nan 0.000 0.425 411 I N 4.329 124.974 120.570 0.124 0.000 2.306 411 I HA 0.270 4.440 4.170 0.001 0.000 0.288 411 I C -0.549 175.644 176.117 0.127 0.000 1.036 411 I CA -0.151 61.210 61.300 0.101 0.000 1.221 411 I CB 0.738 38.770 38.000 0.053 0.000 1.385 411 I HN 0.611 nan 8.210 nan 0.000 0.472 412 W N 7.122 128.369 121.300 -0.088 0.000 2.417 412 W HA 0.260 4.921 4.660 0.002 0.000 0.317 412 W C -0.827 175.564 176.519 -0.213 0.000 1.121 412 W CA -0.204 57.033 57.345 -0.180 0.000 1.208 412 W CB 1.646 30.954 29.460 -0.253 0.000 1.253 412 W HN 0.402 nan 8.180 nan 0.000 0.533 413 D N 7.668 127.768 120.400 -0.500 0.000 2.453 413 D HA 0.210 4.851 4.640 0.001 0.000 0.238 413 D C -1.364 174.678 176.300 -0.431 0.000 1.088 413 D CA -2.383 51.425 54.000 -0.320 0.000 0.854 413 D CB 2.044 42.690 40.800 -0.256 0.000 1.076 413 D HN 0.093 nan 8.370 nan 0.000 0.533 414 P HA -0.043 nan 4.420 nan 0.000 0.226 414 P C 0.060 177.383 177.300 0.037 0.000 1.153 414 P CA 0.462 63.531 63.100 -0.052 0.000 0.777 414 P CB 0.535 32.377 31.700 0.238 0.000 0.794 415 D N 0.770 121.161 120.400 -0.014 0.000 2.690 415 D HA 0.106 4.747 4.640 0.001 0.000 0.236 415 D C 0.933 177.235 176.300 0.003 0.000 1.218 415 D CA 0.489 54.504 54.000 0.024 0.000 0.829 415 D CB 0.002 40.816 40.800 0.025 0.000 1.009 415 D HN 0.477 nan 8.370 nan 0.000 0.482 416 K N -2.103 118.279 120.400 -0.029 0.000 3.417 416 K HA 0.100 4.421 4.320 0.001 0.000 0.375 416 K C 0.108 176.652 176.600 -0.093 0.000 1.013 416 K CA -0.691 55.573 56.287 -0.038 0.000 0.769 416 K CB 0.044 32.507 32.500 -0.062 0.000 1.443 416 K HN -0.198 nan 8.250 nan 0.000 0.474 417 M N -0.923 118.625 119.600 -0.086 0.000 2.421 417 M HA -0.210 4.271 4.480 0.001 0.000 0.192 417 M C -1.133 175.098 176.300 -0.115 0.000 0.463 417 M CA 1.679 56.918 55.300 -0.102 0.000 0.442 417 M CB -2.487 30.048 32.600 -0.109 0.000 1.533 417 M HN 0.645 nan 8.290 nan 0.000 0.830 418 K N 1.060 121.379 120.400 -0.135 0.000 2.705 418 K HA 0.571 4.891 4.320 0.001 0.000 0.238 418 K C -1.343 175.208 176.600 -0.082 0.000 0.996 418 K CA -0.005 56.219 56.287 -0.106 0.000 1.007 418 K CB 1.090 33.517 32.500 -0.122 0.000 1.206 418 K HN 0.263 nan 8.250 nan 0.000 0.488 419 T N 5.073 119.593 114.554 -0.056 0.000 2.728 419 T HA 0.404 4.755 4.350 0.001 0.000 0.296 419 T C 0.485 175.181 174.700 -0.007 0.000 0.940 419 T CA -0.400 61.681 62.100 -0.031 0.000 1.013 419 T CB 0.036 68.889 68.868 -0.025 0.000 0.912 419 T HN 0.413 nan 8.240 nan 0.000 0.484 420 I N 4.814 125.396 120.570 0.019 0.000 2.452 420 I HA 0.240 4.410 4.170 0.001 0.000 0.287 420 I C 1.017 177.165 176.117 0.052 0.000 1.079 420 I CA -0.030 61.304 61.300 0.056 0.000 1.387 420 I CB 0.314 38.381 38.000 0.113 0.000 1.404 420 I HN 0.653 nan 8.210 nan 0.000 0.522 421 T N 2.018 116.584 114.554 0.020 0.000 2.903 421 T HA 0.567 4.918 4.350 0.001 0.000 0.299 421 T C 0.497 175.099 174.700 -0.164 0.000 1.093 421 T CA -0.471 61.603 62.100 -0.044 0.000 1.002 421 T CB 1.986 70.821 68.868 -0.056 0.000 1.127 421 T HN 0.503 nan 8.240 nan 0.000 0.488 422 A N 1.557 124.206 122.820 -0.285 0.000 2.014 422 A HA 0.037 4.358 4.320 0.001 0.000 0.218 422 A C 2.105 179.298 177.584 -0.652 0.000 1.163 422 A CA 1.326 52.941 52.037 -0.703 0.000 0.652 422 A CB -0.719 18.013 19.000 -0.446 0.000 0.808 422 A HN 0.958 nan 8.150 nan 0.000 0.449 423 K N 0.025 120.241 120.400 -0.306 0.000 2.365 423 K HA -0.034 4.287 4.320 0.001 0.000 0.199 423 K C 1.413 177.943 176.600 -0.116 0.000 1.045 423 K CA 1.589 57.766 56.287 -0.183 0.000 0.962 423 K CB -0.187 32.246 32.500 -0.112 0.000 0.759 423 K HN 0.463 nan 8.250 nan 0.000 0.469 424 S N 0.257 115.893 115.700 -0.107 0.000 2.540 424 S HA -0.000 4.470 4.470 0.001 0.000 0.222 424 S C 0.608 175.250 174.600 0.070 0.000 1.008 424 S CA -0.940 57.253 58.200 -0.012 0.000 0.939 424 S CB -0.748 62.450 63.200 -0.003 0.000 0.865 424 S HN 0.598 nan 8.310 nan 0.000 0.499 425 H N 0.705 119.780 119.070 0.007 0.000 2.671 425 H HA 0.440 4.997 4.556 0.001 0.000 0.372 425 H C 0.504 175.834 175.328 0.004 0.000 1.227 425 H CA -0.837 55.217 56.048 0.010 0.000 1.426 425 H CB 0.637 30.416 29.762 0.029 0.000 1.480 425 H HN -0.168 nan 8.280 nan 0.000 0.611 426 K N 0.991 121.448 120.400 0.094 0.000 2.361 426 K HA 0.010 4.331 4.320 0.001 0.000 0.196 426 K C 0.863 177.399 176.600 -0.106 0.000 1.039 426 K CA 0.093 56.377 56.287 -0.006 0.000 1.001 426 K CB 0.161 32.623 32.500 -0.064 0.000 0.795 426 K HN 0.515 nan 8.250 nan 0.000 0.495 427 S N 1.176 116.649 115.700 -0.378 0.000 2.568 427 S HA -0.021 4.450 4.470 0.001 0.000 0.282 427 S C 1.451 175.955 174.600 -0.160 0.000 1.338 427 S CA 0.265 58.234 58.200 -0.385 0.000 1.045 427 S CB 0.808 63.619 63.200 -0.649 0.000 0.873 427 S HN 0.473 nan 8.310 nan 0.000 0.516 428 T N 1.225 115.748 114.554 -0.052 0.000 3.055 428 T HA 0.064 4.415 4.350 0.001 0.000 0.265 428 T C 0.945 175.691 174.700 0.076 0.000 1.111 428 T CA 0.554 62.672 62.100 0.030 0.000 1.118 428 T CB -0.838 68.041 68.868 0.019 0.000 0.909 428 T HN 0.634 nan 8.240 nan 0.000 0.501 429 V N 0.194 120.149 119.914 0.069 0.000 3.133 429 V HA 0.433 4.554 4.120 0.001 0.000 0.305 429 V C 1.168 177.387 176.094 0.208 0.000 1.084 429 V CA -0.604 61.769 62.300 0.122 0.000 1.089 429 V CB 0.890 32.765 31.823 0.087 0.000 1.073 429 V HN 0.112 nan 8.190 nan 0.000 0.477 430 E N 0.830 121.118 120.200 0.147 0.000 2.112 430 E HA 0.128 4.479 4.350 0.001 0.000 0.190 430 E C -0.224 176.301 176.600 -0.125 0.000 0.979 430 E CA 1.133 57.542 56.400 0.016 0.000 0.814 430 E CB -0.182 29.518 29.700 -0.001 0.000 0.762 430 E HN 0.795 nan 8.360 nan 0.000 0.460 431 Y N -0.150 120.187 120.300 0.063 0.000 2.488 431 Y HA 0.420 4.971 4.550 0.001 0.000 0.325 431 Y C -0.084 175.836 175.900 0.034 0.000 1.204 431 Y CA -0.904 57.203 58.100 0.012 0.000 1.229 431 Y CB 1.286 39.730 38.460 -0.028 0.000 1.274 431 Y HN -0.212 nan 8.280 nan 0.000 0.493 432 N N 1.149 119.921 118.700 0.119 0.000 2.519 432 N HA 0.233 4.974 4.740 0.001 0.000 0.291 432 N C 0.307 175.703 175.510 -0.191 0.000 1.107 432 N CA -0.360 52.709 53.050 0.031 0.000 0.904 432 N CB 0.792 39.367 38.487 0.147 0.000 1.500 432 N HN 0.701 nan 8.380 nan 0.000 0.510 433 I N -0.157 120.075 120.570 -0.564 0.000 3.010 433 I HA 0.003 4.174 4.170 0.001 0.000 0.271 433 I C -0.343 175.401 176.117 -0.623 0.000 1.293 433 I CA 1.100 61.815 61.300 -0.975 0.000 1.452 433 I CB -0.321 36.835 38.000 -1.406 0.000 1.082 433 I HN 0.350 nan 8.210 nan 0.000 0.484 434 F N 1.096 121.023 119.950 -0.038 0.000 2.668 434 F HA 0.367 4.894 4.527 0.001 0.000 0.301 434 F C 0.832 176.650 175.800 0.030 0.000 1.106 434 F CA -1.052 56.964 58.000 0.026 0.000 1.289 434 F CB -0.458 38.570 39.000 0.046 0.000 1.006 434 F HN -0.018 nan 8.300 nan 0.000 0.535 435 E N 0.910 121.186 120.200 0.126 0.000 2.694 435 E HA 0.274 4.624 4.350 0.001 0.000 0.250 435 E C 1.415 178.072 176.600 0.095 0.000 0.963 435 E CA 1.295 57.749 56.400 0.090 0.000 0.949 435 E CB 0.009 29.748 29.700 0.064 0.000 0.911 435 E HN 0.543 nan 8.360 nan 0.000 0.500 436 G N 4.054 112.899 108.800 0.074 0.000 2.299 436 G HA2 -0.370 3.591 3.960 0.001 0.000 0.237 436 G HA3 -0.370 3.591 3.960 0.001 0.000 0.237 436 G C 0.541 175.482 174.900 0.068 0.000 1.027 436 G CA 0.140 45.279 45.100 0.064 0.000 0.619 436 G HN 0.653 nan 8.290 nan 0.000 0.513 437 M N 3.019 122.679 119.600 0.101 0.000 2.408 437 M HA 0.268 4.749 4.480 0.001 0.000 0.363 437 M C 0.689 177.005 176.300 0.026 0.000 1.636 437 M CA 0.553 55.907 55.300 0.088 0.000 1.029 437 M CB 0.043 32.723 32.600 0.135 0.000 2.068 437 M HN 0.458 nan 8.290 nan 0.000 0.466 438 E N 5.383 125.577 120.200 -0.009 0.000 2.146 438 E HA 0.397 4.748 4.350 0.001 0.000 0.282 438 E C -1.218 175.257 176.600 -0.208 0.000 0.989 438 E CA -0.922 55.420 56.400 -0.095 0.000 0.799 438 E CB 0.804 30.448 29.700 -0.093 0.000 1.088 438 E HN 0.602 nan 8.360 nan 0.000 0.397 439 C N 2.658 121.818 119.300 -0.234 0.000 2.435 439 C HA 0.425 4.886 4.460 0.001 0.000 0.333 439 C C -0.624 174.159 174.990 -0.344 0.000 1.202 439 C CA -0.948 57.934 59.018 -0.226 0.000 1.830 439 C CB 0.156 27.881 27.740 -0.025 0.000 2.326 439 C HN 0.790 nan 8.230 nan 0.000 0.507 440 H N 0.473 119.617 119.070 0.124 0.000 2.691 440 H HA 0.617 5.174 4.556 0.001 0.000 0.281 440 H C 0.337 175.771 175.328 0.176 0.000 1.121 440 H CA 0.189 56.304 56.048 0.113 0.000 1.254 440 H CB 0.422 30.263 29.762 0.132 0.000 1.390 440 H HN 1.250 nan 8.280 nan 0.000 0.491 441 G N 1.330 110.128 108.800 -0.005 0.000 2.873 441 G HA2 0.379 4.340 3.960 0.001 0.000 0.507 441 G HA3 0.379 4.340 3.960 0.001 0.000 0.507 441 G C -0.820 173.659 174.900 -0.702 0.000 1.440 441 G CA -0.492 44.379 45.100 -0.383 0.000 1.016 441 G HN 1.008 nan 8.290 nan 0.000 0.615 442 S N 1.462 116.319 115.700 -1.405 0.000 2.636 442 S HA 0.894 5.365 4.470 0.001 0.000 0.268 442 S C -3.471 170.069 174.600 -1.767 0.000 1.159 442 S CA -1.385 55.837 58.200 -1.630 0.000 0.815 442 S CB 2.445 65.238 63.200 -0.678 0.000 1.130 442 S HN 0.518 nan 8.310 nan 0.000 0.471 443 P HA 0.378 nan 4.420 nan 0.000 0.271 443 P C 0.022 177.214 177.300 -0.180 0.000 1.216 443 P CA -0.424 62.404 63.100 -0.454 0.000 0.771 443 P CB 0.513 32.084 31.700 -0.215 0.000 0.864 444 L N 2.243 123.433 121.223 -0.055 0.000 2.433 444 L HA 0.208 4.549 4.340 0.001 0.000 0.200 444 L C 0.219 177.174 176.870 0.141 0.000 1.059 444 L CA 0.594 55.450 54.840 0.026 0.000 0.835 444 L CB 0.431 42.461 42.059 -0.047 0.000 1.076 444 L HN 0.116 nan 8.230 nan 0.000 0.481 445 V N 0.214 120.215 119.914 0.144 0.000 2.760 445 V HA 0.416 4.537 4.120 0.001 0.000 0.309 445 V C -0.726 175.482 176.094 0.190 0.000 1.077 445 V CA -0.679 61.719 62.300 0.162 0.000 0.910 445 V CB 2.518 34.381 31.823 0.067 0.000 1.008 445 V HN -0.237 nan 8.190 nan 0.000 0.424 446 V N 5.784 125.836 119.914 0.230 0.000 2.487 446 V HA 0.585 4.706 4.120 0.001 0.000 0.298 446 V C -0.513 175.648 176.094 0.113 0.000 1.028 446 V CA -0.388 62.007 62.300 0.158 0.000 0.860 446 V CB 1.853 33.761 31.823 0.142 0.000 0.991 446 V HN 0.703 nan 8.190 nan 0.000 0.427 447 I N 3.449 124.063 120.570 0.074 0.000 2.436 447 I HA 0.574 4.745 4.170 0.001 0.000 0.289 447 I C -0.213 175.925 176.117 0.036 0.000 1.010 447 I CA -0.180 61.149 61.300 0.049 0.000 1.098 447 I CB 2.160 40.180 38.000 0.034 0.000 1.266 447 I HN 0.612 nan 8.210 nan 0.000 0.434 448 S N 5.110 120.829 115.700 0.031 0.000 2.557 448 S HA 0.341 4.812 4.470 0.001 0.000 0.291 448 S C -0.258 174.351 174.600 0.015 0.000 1.116 448 S CA -0.285 57.929 58.200 0.023 0.000 0.992 448 S CB 1.111 64.330 63.200 0.032 0.000 1.028 448 S HN 0.720 nan 8.310 nan 0.000 0.484 449 Q N 2.478 122.280 119.800 0.003 0.000 2.457 449 Q HA -0.227 4.114 4.340 0.001 0.000 0.283 449 Q C 0.914 176.906 176.000 -0.013 0.000 1.234 449 Q CA 0.882 56.682 55.803 -0.005 0.000 0.877 449 Q CB -2.007 26.734 28.738 0.005 0.000 1.250 449 Q HN 1.681 nan 8.270 nan 0.000 0.481 450 G N -0.409 108.381 108.800 -0.017 0.000 2.168 450 G HA2 -0.342 3.619 3.960 0.001 0.000 0.263 450 G HA3 -0.342 3.619 3.960 0.001 0.000 0.263 450 G C -0.006 174.885 174.900 -0.016 0.000 0.977 450 G CA 0.897 45.980 45.100 -0.029 0.000 0.659 450 G HN 0.308 nan 8.290 nan 0.000 0.533 451 K N -0.159 120.241 120.400 0.001 0.000 2.207 451 K HA 0.633 4.954 4.320 0.001 0.000 0.255 451 K C 0.392 177.006 176.600 0.023 0.000 0.941 451 K CA -1.022 55.271 56.287 0.010 0.000 0.825 451 K CB 1.854 34.364 32.500 0.016 0.000 1.119 451 K HN 0.169 nan 8.250 nan 0.000 0.430 452 I N 3.457 124.041 120.570 0.022 0.000 2.517 452 I HA -0.074 4.097 4.170 0.001 0.000 0.285 452 I C 1.248 177.392 176.117 0.045 0.000 1.106 452 I CA 0.014 61.334 61.300 0.032 0.000 1.402 452 I CB 0.623 38.633 38.000 0.015 0.000 1.399 452 I HN 0.522 nan 8.210 nan 0.000 0.535 453 V N 3.954 123.915 119.914 0.078 0.000 3.604 453 V HA 0.332 4.453 4.120 0.001 0.000 0.277 453 V C -0.046 176.151 176.094 0.172 0.000 1.399 453 V CA 0.019 62.378 62.300 0.098 0.000 1.034 453 V CB 0.134 32.011 31.823 0.089 0.000 0.824 453 V HN 0.540 nan 8.190 nan 0.000 0.439 454 F N 2.548 122.494 119.950 -0.008 0.000 2.607 454 F HA 0.731 5.259 4.527 0.002 0.000 0.322 454 F C -0.902 174.886 175.800 -0.020 0.000 1.176 454 F CA -0.546 57.444 58.000 -0.016 0.000 0.977 454 F CB 1.579 40.567 39.000 -0.020 0.000 1.242 454 F HN 0.448 nan 8.300 nan 0.000 0.465 455 E N 4.069 123.881 120.200 -0.647 0.000 2.388 455 E HA 0.302 4.653 4.350 0.001 0.000 0.280 455 E C -1.453 174.834 176.600 -0.523 0.000 1.019 455 E CA -0.892 55.228 56.400 -0.466 0.000 0.806 455 E CB 1.610 31.196 29.700 -0.190 0.000 1.246 455 E HN 0.466 nan 8.360 nan 0.000 0.443 456 D N 1.232 121.415 120.400 -0.361 0.000 2.751 456 D HA -0.212 4.429 4.640 0.001 0.000 0.233 456 D C 0.938 177.043 176.300 -0.325 0.000 1.149 456 D CA 2.019 55.861 54.000 -0.264 0.000 0.682 456 D CB -1.596 39.094 40.800 -0.182 0.000 1.068 456 D HN 1.259 nan 8.370 nan 0.000 0.429 457 G N -0.696 107.800 108.800 -0.507 0.000 2.168 457 G HA2 -0.346 3.615 3.960 0.001 0.000 0.263 457 G HA3 -0.346 3.615 3.960 0.001 0.000 0.263 457 G C 0.130 174.804 174.900 -0.377 0.000 0.977 457 G CA 0.498 45.382 45.100 -0.359 0.000 0.659 457 G HN 0.530 nan 8.290 nan 0.000 0.533 458 N N -0.527 117.805 118.700 -0.613 0.000 2.240 458 N HA 0.581 5.322 4.740 0.001 0.000 0.302 458 N C -0.817 174.568 175.510 -0.210 0.000 1.106 458 N CA -0.630 52.259 53.050 -0.268 0.000 0.778 458 N CB 2.139 40.535 38.487 -0.152 0.000 1.431 458 N HN 0.143 nan 8.380 nan 0.000 0.479 459 I N 0.606 121.235 120.570 0.098 0.000 2.532 459 I HA 0.217 4.388 4.170 0.001 0.000 0.292 459 I C 0.041 176.205 176.117 0.078 0.000 1.014 459 I CA 0.280 61.695 61.300 0.192 0.000 1.340 459 I CB 1.208 39.320 38.000 0.187 0.000 1.422 459 I HN 0.369 nan 8.210 nan 0.000 0.528 460 S N 6.623 122.372 115.700 0.082 0.000 2.461 460 S HA 0.560 5.031 4.470 0.001 0.000 0.216 460 S C -0.904 173.740 174.600 0.073 0.000 1.201 460 S CA -0.568 57.667 58.200 0.059 0.000 1.171 460 S CB -0.048 63.170 63.200 0.030 0.000 1.169 460 S HN 0.574 nan 8.310 nan 0.000 0.456 461 V N 1.373 121.341 119.914 0.091 0.000 3.177 461 V HA 0.887 5.008 4.120 0.001 0.000 0.319 461 V C 0.062 176.250 176.094 0.155 0.000 1.125 461 V CA -0.791 61.575 62.300 0.110 0.000 1.029 461 V CB 1.832 33.705 31.823 0.083 0.000 1.119 461 V HN 0.533 nan 8.190 nan 0.000 0.452 462 S N 0.775 116.573 115.700 0.164 0.000 2.756 462 S HA 0.415 4.886 4.470 0.001 0.000 0.303 462 S C -0.457 174.259 174.600 0.193 0.000 1.135 462 S CA -0.652 57.635 58.200 0.144 0.000 1.066 462 S CB 0.838 64.087 63.200 0.081 0.000 1.008 462 S HN 0.901 nan 8.310 nan 0.000 0.482 463 K N 2.083 122.595 120.400 0.186 0.000 2.472 463 K HA 0.324 4.645 4.320 0.001 0.000 0.280 463 K C 1.198 177.831 176.600 0.056 0.000 1.028 463 K CA 1.360 57.725 56.287 0.130 0.000 1.045 463 K CB -0.096 32.196 32.500 -0.346 0.000 0.902 463 K HN 0.890 nan 8.250 nan 0.000 0.478 464 G N 3.853 112.705 108.800 0.086 0.000 2.176 464 G HA2 -0.297 3.664 3.960 0.001 0.000 0.253 464 G HA3 -0.297 3.664 3.960 0.001 0.000 0.253 464 G C 0.489 175.422 174.900 0.055 0.000 0.979 464 G CA 0.428 45.548 45.100 0.034 0.000 0.641 464 G HN 0.661 nan 8.290 nan 0.000 0.530 465 M N 1.581 121.228 119.600 0.079 0.000 2.319 465 M HA 0.324 4.805 4.480 0.001 0.000 0.265 465 M C 1.739 178.094 176.300 0.091 0.000 1.068 465 M CA 1.446 56.790 55.300 0.073 0.000 1.118 465 M CB -0.507 32.136 32.600 0.072 0.000 1.395 465 M HN 0.607 nan 8.290 nan 0.000 0.435 466 G N 1.224 110.100 108.800 0.127 0.000 2.432 466 G HA2 0.308 4.269 3.960 0.001 0.000 0.239 466 G HA3 0.308 4.269 3.960 0.001 0.000 0.239 466 G C -0.609 174.437 174.900 0.242 0.000 1.291 466 G CA -0.512 44.702 45.100 0.190 0.000 0.863 466 G HN 0.478 nan 8.290 nan 0.000 0.560 467 R N 0.399 120.992 120.500 0.155 0.000 2.668 467 R HA 0.369 4.710 4.340 0.001 0.000 0.279 467 R C -0.819 175.352 176.300 -0.215 0.000 0.976 467 R CA -0.778 55.360 56.100 0.062 0.000 0.978 467 R CB 1.817 32.115 30.300 -0.005 0.000 1.133 467 R HN 0.494 nan 8.270 nan 0.000 0.484 468 F N 3.319 123.004 119.950 -0.442 0.000 2.427 468 F HA 0.308 4.836 4.527 0.001 0.000 0.352 468 F C -0.442 175.089 175.800 -0.448 0.000 1.100 468 F CA -0.700 56.771 58.000 -0.881 0.000 1.191 468 F CB 0.649 39.417 39.000 -0.387 0.000 1.128 468 F HN 0.254 nan 8.300 nan 0.000 0.533 469 I N 8.697 128.519 120.570 -1.247 0.000 2.330 469 I HA 0.257 4.428 4.170 0.001 0.000 0.286 469 I C -2.320 173.150 176.117 -1.078 0.000 1.025 469 I CA -2.368 58.422 61.300 -0.850 0.000 1.197 469 I CB 0.841 38.525 38.000 -0.527 0.000 1.358 469 I HN 0.412 nan 8.210 nan 0.000 0.467 470 P HA 0.362 nan 4.420 nan 0.000 0.278 470 P C -0.722 176.418 177.300 -0.267 0.000 1.238 470 P CA -0.518 62.329 63.100 -0.421 0.000 0.794 470 P CB 1.244 32.915 31.700 -0.049 0.000 0.955 471 R N 1.300 121.687 120.500 -0.188 0.000 2.621 471 R HA 0.416 4.757 4.340 0.001 0.000 0.292 471 R C 0.108 176.376 176.300 -0.054 0.000 0.969 471 R CA -0.916 55.114 56.100 -0.116 0.000 0.887 471 R CB 2.277 32.508 30.300 -0.116 0.000 1.180 471 R HN 0.384 nan 8.270 nan 0.000 0.450 472 K N 3.128 123.514 120.400 -0.023 0.000 2.154 472 K HA 0.267 4.588 4.320 0.001 0.000 0.264 472 K C -2.029 174.577 176.600 0.011 0.000 1.008 472 K CA -1.490 54.800 56.287 0.006 0.000 0.937 472 K CB 0.630 33.145 32.500 0.025 0.000 1.002 472 K HN 0.315 nan 8.250 nan 0.000 0.469 473 P HA 0.118 nan 4.420 nan 0.000 0.289 473 P C -0.549 176.745 177.300 -0.011 0.000 1.299 473 P CA -0.333 62.708 63.100 -0.100 0.000 0.766 473 P CB 0.252 31.822 31.700 -0.217 0.000 1.226 474 F N -4.601 115.221 119.950 -0.214 0.000 2.983 474 F HA -0.134 4.394 4.527 0.001 0.000 0.288 474 F C -1.844 173.982 175.800 0.045 0.000 0.980 474 F CA -0.106 57.728 58.000 -0.275 0.000 0.965 474 F CB -2.971 35.854 39.000 -0.292 0.000 0.967 474 F HN 0.220 nan 8.300 nan 0.000 0.800 475 P HA -0.006 nan 4.420 nan 0.000 0.263 475 P C 1.103 178.551 177.300 0.248 0.000 1.195 475 P CA 0.328 63.541 63.100 0.188 0.000 0.762 475 P CB 0.733 32.491 31.700 0.096 0.000 0.799 476 E N 2.001 122.315 120.200 0.190 0.000 2.070 476 E HA -0.271 4.079 4.350 0.001 0.000 0.197 476 E C 1.688 178.387 176.600 0.165 0.000 1.004 476 E CA 1.471 57.975 56.400 0.174 0.000 0.805 476 E CB -0.624 29.153 29.700 0.128 0.000 0.744 476 E HN 0.681 nan 8.360 nan 0.000 0.451 477 H N -0.166 118.925 119.070 0.036 0.000 2.460 477 H HA -0.152 4.405 4.556 0.002 0.000 0.297 477 H C 1.805 177.153 175.328 0.034 0.000 1.103 477 H CA 1.060 57.114 56.048 0.011 0.000 1.292 477 H CB 0.325 30.061 29.762 -0.043 0.000 1.376 477 H HN 0.037 nan 8.280 nan 0.000 0.531 478 L N -1.093 120.123 121.223 -0.011 0.000 2.262 478 L HA -0.026 4.314 4.340 0.001 0.000 0.197 478 L C 1.909 178.659 176.870 -0.200 0.000 1.073 478 L CA 0.807 55.560 54.840 -0.144 0.000 0.800 478 L CB -0.658 41.259 42.059 -0.236 0.000 0.987 478 L HN 0.152 nan 8.230 nan 0.000 0.470 479 Y N -0.296 120.038 120.300 0.056 0.000 2.561 479 Y HA -0.082 4.468 4.550 0.001 0.000 0.291 479 Y C 2.471 178.416 175.900 0.075 0.000 1.141 479 Y CA 0.545 58.705 58.100 0.099 0.000 1.303 479 Y CB -0.268 38.326 38.460 0.224 0.000 1.015 479 Y HN 0.271 nan 8.280 nan 0.000 0.547 480 Q N -0.053 119.834 119.800 0.145 0.000 2.050 480 Q HA -0.214 4.127 4.340 0.001 0.000 0.202 480 Q C 2.228 178.261 176.000 0.055 0.000 0.980 480 Q CA 1.553 57.411 55.803 0.091 0.000 0.840 480 Q CB -0.150 28.627 28.738 0.064 0.000 0.898 480 Q HN 0.430 nan 8.270 nan 0.000 0.424 481 R N -0.294 120.217 120.500 0.018 0.000 2.092 481 R HA -0.102 4.239 4.340 0.001 0.000 0.231 481 R C 2.319 178.632 176.300 0.023 0.000 1.119 481 R CA 1.090 57.193 56.100 0.005 0.000 0.970 481 R CB -0.233 30.047 30.300 -0.033 0.000 0.864 481 R HN 0.097 nan 8.270 nan 0.000 0.440 482 V N 0.993 120.911 119.914 0.006 0.000 2.287 482 V HA -0.287 3.834 4.120 0.001 0.000 0.248 482 V C 2.304 178.460 176.094 0.103 0.000 1.053 482 V CA 1.803 64.123 62.300 0.033 0.000 1.027 482 V CB -0.453 31.359 31.823 -0.019 0.000 0.646 482 V HN 0.328 nan 8.190 nan 0.000 0.447 483 R N -0.420 120.158 120.500 0.130 0.000 2.091 483 R HA -0.124 4.217 4.340 0.001 0.000 0.238 483 R C 2.243 178.576 176.300 0.055 0.000 1.136 483 R CA 1.804 57.966 56.100 0.103 0.000 0.959 483 R CB -0.484 29.869 30.300 0.089 0.000 0.856 483 R HN 0.456 nan 8.270 nan 0.000 0.437 484 I N 0.540 121.134 120.570 0.040 0.000 2.142 484 I HA -0.292 3.879 4.170 0.001 0.000 0.240 484 I C 2.461 178.580 176.117 0.003 0.000 1.078 484 I CA 1.452 62.756 61.300 0.006 0.000 1.343 484 I CB -0.344 37.658 38.000 0.002 0.000 1.046 484 I HN 0.135 nan 8.210 nan 0.000 0.405 485 R N 0.479 121.021 120.500 0.070 0.000 2.105 485 R HA -0.137 4.204 4.340 0.001 0.000 0.239 485 R C 2.375 178.769 176.300 0.156 0.000 1.135 485 R CA 1.730 57.937 56.100 0.178 0.000 0.967 485 R CB -0.498 29.948 30.300 0.243 0.000 0.861 485 R HN 0.294 nan 8.270 nan 0.000 0.442 486 S N 0.542 116.304 115.700 0.103 0.000 2.447 486 S HA -0.092 4.378 4.470 0.001 0.000 0.233 486 S C 1.681 176.307 174.600 0.043 0.000 1.006 486 S CA 0.952 59.206 58.200 0.090 0.000 0.957 486 S CB 0.060 63.311 63.200 0.085 0.000 0.773 486 S HN 0.299 nan 8.310 nan 0.000 0.507 487 K N 0.593 120.992 120.400 -0.001 0.000 2.361 487 K HA 0.228 4.549 4.320 0.001 0.000 0.194 487 K C 1.182 177.717 176.600 -0.108 0.000 1.032 487 K CA 0.264 56.528 56.287 -0.039 0.000 1.048 487 K CB 0.340 32.818 32.500 -0.038 0.000 0.842 487 K HN 0.116 nan 8.250 nan 0.000 0.526 488 V N 0.440 120.229 119.914 -0.208 0.000 3.431 488 V HA 0.090 4.211 4.120 0.001 0.000 0.253 488 V C 0.293 176.021 176.094 -0.610 0.000 1.184 488 V CA 0.600 62.618 62.300 -0.469 0.000 1.104 488 V CB 0.121 31.514 31.823 -0.716 0.000 0.799 488 V HN 0.174 nan 8.190 nan 0.000 0.462 489 F N 0.597 120.552 119.950 0.008 0.000 2.698 489 F HA 0.532 5.059 4.527 0.000 0.000 0.304 489 F C 1.619 177.426 175.800 0.013 0.000 1.108 489 F CA -0.642 57.363 58.000 0.009 0.000 1.263 489 F CB -0.573 38.431 39.000 0.007 0.000 1.013 489 F HN 0.098 nan 8.300 nan 0.000 0.532 490 G N 0.000 108.867 108.800 0.111 0.000 5.446 490 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 490 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 490 G CA 0.000 45.151 45.100 0.085 0.000 0.502 490 G HN 0.000 nan 8.290 nan 0.000 0.925