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 2ve4_1_A DATA FIRST_RESID 11 DATA SEQUENCE LPIPPGDFGL PWLGETLNFL NDGDFGKKRQ QQFGPIFKTR LFGKNVIFIS DATA SEQUENCE GALANRFLFT KEQETFQATW PLSTRILLGP NALATQMGEI HRSRRKILYQ DATA SEQUENCE AFLPRTLDSY LPKMDGIVQG YLEQWGKANE VIWYPQLRRM TFDVAATLFM DATA SEQUENCE GEKVSQNPQL FPWFETYIQG LFSLPIPLPN TLFGKSQRAR ALLLAELEKI DATA SEQUENCE IKARQQQPPS EEDALGILLA ARDDNNQPLS LPELKDQILL LLFAGHETLT DATA SEQUENCE SALSSFCLLL GQHSDIRERV RQEQNKLQLS QELTAETLKK MPYLDQVLQE DATA SEQUENCE VLRLIPPVGG GFRELIQDCQ FQGFHFPKGW LVSYQISQTH ADPDLYPDPE DATA SEQUENCE KFDPERFTPD GSATHNPPFA HVPFGGGLRE CLGKEFARLE MKLFATRLIQ DATA SEQUENCE QFDWTLLPGQ NLELVVTPSP RPKDNLRVKL H 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.841 176.870 -0.048 0.000 1.165 11 L CA 0.000 54.769 54.840 -0.119 0.000 0.813 11 L CB 0.000 42.015 42.059 -0.074 0.000 0.961 12 P HA 0.399 nan 4.420 nan 0.000 0.288 12 P C -0.849 176.612 177.300 0.268 0.000 1.267 12 P CA -0.205 62.974 63.100 0.132 0.000 0.815 12 P CB 1.008 32.773 31.700 0.110 0.000 0.989 13 I N -0.229 120.465 120.570 0.207 0.000 2.581 13 I HA 0.471 4.642 4.170 0.001 0.000 0.288 13 I C -2.417 173.758 176.117 0.098 0.000 1.047 13 I CA -2.733 58.637 61.300 0.116 0.000 1.374 13 I CB 0.156 38.167 38.000 0.018 0.000 1.423 13 I HN 0.090 nan 8.210 nan 0.000 0.549 14 P HA 0.096 nan 4.420 nan 0.000 0.267 14 P C -2.454 174.700 177.300 -0.243 0.000 1.201 14 P CA -0.464 62.304 63.100 -0.554 0.000 0.775 14 P CB -0.315 30.978 31.700 -0.678 0.000 0.854 15 P HA 0.361 nan 4.420 nan 0.000 0.274 15 P C -0.153 176.882 177.300 -0.440 0.000 1.246 15 P CA 0.243 63.279 63.100 -0.107 0.000 0.795 15 P CB 0.731 32.537 31.700 0.176 0.000 1.006 16 G N 0.495 108.795 108.800 -0.833 0.000 2.335 16 G HA2 0.007 3.968 3.960 0.001 0.000 0.592 16 G HA3 0.007 3.968 3.960 0.001 0.000 0.592 16 G C -1.797 172.589 174.900 -0.857 0.000 1.442 16 G CA -0.820 43.383 45.100 -1.495 0.000 0.976 16 G HN 0.428 nan 8.290 nan 0.000 0.652 17 D N 0.480 120.459 120.400 -0.702 0.000 2.317 17 D HA 0.334 4.975 4.640 0.001 0.000 0.252 17 D C 1.103 177.262 176.300 -0.235 0.000 1.174 17 D CA -0.218 53.585 54.000 -0.327 0.000 0.866 17 D CB 0.735 41.451 40.800 -0.140 0.000 1.127 17 D HN 0.294 nan 8.370 nan 0.000 0.467 18 F N 1.400 121.275 119.950 -0.125 0.000 2.502 18 F HA -0.023 4.505 4.527 0.001 0.000 0.298 18 F C 2.149 177.889 175.800 -0.100 0.000 1.111 18 F CA 0.364 58.285 58.000 -0.131 0.000 1.445 18 F CB 0.135 39.062 39.000 -0.122 0.000 1.081 18 F HN 0.579 nan 8.300 nan 0.000 0.558 19 G N 1.467 110.329 108.800 0.103 0.000 2.614 19 G HA2 -0.347 3.614 3.960 0.001 0.000 0.303 19 G HA3 -0.347 3.614 3.960 0.001 0.000 0.303 19 G C -0.010 174.926 174.900 0.060 0.000 1.270 19 G CA 0.025 45.160 45.100 0.059 0.000 0.988 19 G HN 0.213 nan 8.290 nan 0.000 0.551 20 L N 2.096 123.340 121.223 0.035 0.000 2.461 20 L HA 0.390 4.731 4.340 0.001 0.000 0.272 20 L C -1.695 175.188 176.870 0.022 0.000 1.197 20 L CA -1.620 53.239 54.840 0.032 0.000 0.836 20 L CB 0.126 42.206 42.059 0.035 0.000 1.105 20 L HN 0.370 nan 8.230 nan 0.000 0.477 21 P HA -0.078 nan 4.420 nan 0.000 0.271 21 P C 0.165 177.551 177.300 0.143 0.000 1.220 21 P CA 0.028 63.146 63.100 0.031 0.000 0.768 21 P CB 0.850 32.568 31.700 0.030 0.000 0.848 22 W N 2.684 123.922 121.300 -0.104 0.000 1.154 22 W HA -0.384 4.277 4.660 0.001 0.000 0.250 22 W C 1.634 178.095 176.519 -0.098 0.000 1.366 22 W CA 1.815 59.104 57.345 -0.093 0.000 1.730 22 W CB -1.834 27.589 29.460 -0.061 0.000 1.429 22 W HN 0.256 nan 8.180 nan 0.000 0.454 23 L N 0.937 122.293 121.223 0.222 0.000 2.046 23 L HA 0.065 4.406 4.340 0.001 0.000 0.208 23 L C 2.114 178.887 176.870 -0.162 0.000 1.077 23 L CA 3.031 57.911 54.840 0.067 0.000 0.747 23 L CB -1.507 40.644 42.059 0.153 0.000 0.896 23 L HN 0.768 nan 8.230 nan 0.000 0.432 24 G N 0.082 108.826 108.800 -0.094 0.000 2.596 24 G HA2 -0.380 3.581 3.960 0.001 0.000 0.295 24 G HA3 -0.380 3.581 3.960 0.001 0.000 0.295 24 G C 0.465 175.339 174.900 -0.043 0.000 1.240 24 G CA 0.520 45.573 45.100 -0.078 0.000 0.985 24 G HN 0.497 nan 8.290 nan 0.000 0.555 25 E N 0.482 120.673 120.200 -0.016 0.000 2.451 25 E HA 0.209 4.559 4.350 0.001 0.000 0.194 25 E C 2.163 178.787 176.600 0.040 0.000 1.027 25 E CA 0.498 56.946 56.400 0.079 0.000 0.914 25 E CB 0.046 29.879 29.700 0.222 0.000 1.054 25 E HN 0.447 nan 8.360 nan 0.000 0.461 26 T N 1.654 116.117 114.554 -0.152 0.000 2.653 26 T HA -0.226 4.125 4.350 0.001 0.000 0.267 26 T C 1.774 176.380 174.700 -0.157 0.000 1.037 26 T CA 1.296 63.200 62.100 -0.326 0.000 1.159 26 T CB -0.128 68.279 68.868 -0.768 0.000 0.859 26 T HN 0.246 nan 8.240 nan 0.000 0.449 27 L N 0.786 121.953 121.223 -0.093 0.000 2.217 27 L HA -0.045 4.296 4.340 0.001 0.000 0.211 27 L C 2.545 179.429 176.870 0.024 0.000 1.107 27 L CA 0.861 55.683 54.840 -0.030 0.000 0.783 27 L CB -0.583 41.470 42.059 -0.011 0.000 0.919 27 L HN 0.294 nan 8.230 nan 0.000 0.442 28 N N 0.121 118.875 118.700 0.092 0.000 2.171 28 N HA -0.183 4.558 4.740 0.001 0.000 0.184 28 N C 1.864 177.479 175.510 0.175 0.000 1.021 28 N CA 1.195 54.367 53.050 0.203 0.000 0.854 28 N CB -0.239 38.457 38.487 0.348 0.000 0.994 28 N HN 0.186 nan 8.380 nan 0.000 0.426 29 F N 2.500 122.263 119.950 -0.312 0.000 2.095 29 F HA -0.080 4.448 4.527 0.001 0.000 0.298 29 F C 2.104 177.721 175.800 -0.305 0.000 1.104 29 F CA 1.143 58.665 58.000 -0.796 0.000 1.232 29 F CB -0.487 38.084 39.000 -0.716 0.000 0.987 29 F HN -0.074 nan 8.300 nan 0.000 0.475 30 L N -0.320 120.764 121.223 -0.230 0.000 2.217 30 L HA -0.159 4.182 4.340 0.001 0.000 0.211 30 L C 2.226 179.004 176.870 -0.154 0.000 1.107 30 L CA 1.406 56.107 54.840 -0.230 0.000 0.783 30 L CB -0.622 41.409 42.059 -0.048 0.000 0.919 30 L HN 0.342 nan 8.230 nan 0.000 0.442 31 N N -1.141 117.511 118.700 -0.080 0.000 2.407 31 N HA -0.033 4.708 4.740 0.001 0.000 0.182 31 N C -0.316 175.189 175.510 -0.008 0.000 1.079 31 N CA 0.047 53.079 53.050 -0.031 0.000 0.882 31 N CB 0.795 39.283 38.487 0.002 0.000 1.106 31 N HN 0.137 nan 8.380 nan 0.000 0.461 32 D N -0.189 120.229 120.400 0.030 0.000 2.280 32 D HA 0.222 4.863 4.640 0.001 0.000 0.236 32 D C 0.856 177.213 176.300 0.095 0.000 1.082 32 D CA -0.288 53.767 54.000 0.092 0.000 0.834 32 D CB 1.719 42.635 40.800 0.192 0.000 1.100 32 D HN 0.222 nan 8.370 nan 0.000 0.486 33 G N 1.741 110.578 108.800 0.062 0.000 2.404 33 G HA2 -0.148 3.813 3.960 0.001 0.000 0.214 33 G HA3 -0.148 3.813 3.960 0.001 0.000 0.214 33 G C 0.476 175.432 174.900 0.093 0.000 1.189 33 G CA 0.300 45.430 45.100 0.050 0.000 0.789 33 G HN 0.401 nan 8.290 nan 0.000 0.533 34 D N 0.150 120.602 120.400 0.087 0.000 2.639 34 D HA 0.223 4.864 4.640 0.001 0.000 0.233 34 D C 0.356 176.715 176.300 0.098 0.000 1.161 34 D CA -0.489 53.563 54.000 0.086 0.000 1.003 34 D CB 0.687 41.511 40.800 0.040 0.000 1.034 34 D HN 0.225 nan 8.370 nan 0.000 0.514 35 F N 0.908 120.865 119.950 0.011 0.000 2.179 35 F HA 0.129 4.656 4.527 0.001 0.000 0.292 35 F C 2.141 177.901 175.800 -0.067 0.000 1.089 35 F CA 0.970 58.968 58.000 -0.003 0.000 1.295 35 F CB 0.189 39.241 39.000 0.086 0.000 1.041 35 F HN 0.199 nan 8.300 nan 0.000 0.487 36 G N 0.270 109.180 108.800 0.183 0.000 2.511 36 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 36 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 36 G C 1.643 176.553 174.900 0.017 0.000 1.133 36 G CA 0.497 45.659 45.100 0.103 0.000 0.792 36 G HN 0.345 nan 8.290 nan 0.000 0.539 37 K N 0.554 120.957 120.400 0.005 0.000 2.044 37 K HA 0.019 4.340 4.320 0.001 0.000 0.204 37 K C 2.365 178.899 176.600 -0.110 0.000 1.049 37 K CA 1.139 57.422 56.287 -0.006 0.000 0.945 37 K CB -0.185 32.328 32.500 0.023 0.000 0.724 37 K HN 0.199 nan 8.250 nan 0.000 0.440 38 K N 0.619 120.913 120.400 -0.176 0.000 2.103 38 K HA -0.162 4.159 4.320 0.001 0.000 0.207 38 K C 1.862 178.263 176.600 -0.332 0.000 1.048 38 K CA 1.563 57.713 56.287 -0.227 0.000 0.930 38 K CB 0.091 32.457 32.500 -0.224 0.000 0.716 38 K HN 0.105 nan 8.250 nan 0.000 0.444 39 R N -0.582 119.589 120.500 -0.549 0.000 2.280 39 R HA 0.028 4.368 4.340 0.001 0.000 0.195 39 R C 2.084 177.994 176.300 -0.650 0.000 0.935 39 R CA 0.372 56.029 56.100 -0.738 0.000 1.033 39 R CB 0.147 29.523 30.300 -1.541 0.000 0.964 39 R HN 0.246 nan 8.270 nan 0.000 0.489 40 Q N 0.875 120.474 119.800 -0.335 0.000 2.212 40 Q HA -0.144 4.197 4.340 0.001 0.000 0.199 40 Q C 2.092 178.102 176.000 0.017 0.000 0.950 40 Q CA 1.150 57.003 55.803 0.083 0.000 0.863 40 Q CB 0.378 29.239 28.738 0.205 0.000 0.944 40 Q HN 0.366 nan 8.270 nan 0.000 0.465 41 Q N -0.595 119.154 119.800 -0.085 0.000 2.187 41 Q HA -0.139 4.202 4.340 0.001 0.000 0.199 41 Q C 1.742 177.634 176.000 -0.180 0.000 0.957 41 Q CA 1.165 56.911 55.803 -0.096 0.000 0.857 41 Q CB 0.019 28.698 28.738 -0.097 0.000 0.929 41 Q HN 0.316 nan 8.270 nan 0.000 0.453 42 Q N -0.693 118.907 119.800 -0.332 0.000 2.096 42 Q HA -0.005 4.336 4.340 0.001 0.000 0.197 42 Q C 0.740 176.352 176.000 -0.647 0.000 0.964 42 Q CA 1.127 56.553 55.803 -0.628 0.000 0.838 42 Q CB 0.298 28.372 28.738 -1.107 0.000 0.906 42 Q HN 0.457 nan 8.270 nan 0.000 0.444 43 F N -1.061 118.825 119.950 -0.107 0.000 2.706 43 F HA 0.338 4.866 4.527 0.002 0.000 0.313 43 F C 1.106 176.936 175.800 0.049 0.000 1.096 43 F CA 0.333 58.309 58.000 -0.040 0.000 1.219 43 F CB 0.892 39.847 39.000 -0.075 0.000 1.051 43 F HN 0.089 nan 8.300 nan 0.000 0.568 44 G N 1.701 110.605 108.800 0.175 0.000 2.568 44 G HA2 -0.226 3.735 3.960 0.001 0.000 0.222 44 G HA3 -0.226 3.735 3.960 0.001 0.000 0.222 44 G C -2.019 173.027 174.900 0.245 0.000 1.321 44 G CA -0.204 45.006 45.100 0.184 0.000 0.893 44 G HN 0.011 nan 8.290 nan 0.000 0.569 45 P HA 0.218 nan 4.420 nan 0.000 0.226 45 P C 0.805 178.229 177.300 0.207 0.000 1.161 45 P CA 0.983 64.217 63.100 0.223 0.000 0.804 45 P CB 0.348 32.171 31.700 0.206 0.000 0.829 46 I N 1.126 121.794 120.570 0.162 0.000 2.420 46 I HA 0.289 4.460 4.170 0.001 0.000 0.282 46 I C -0.636 175.408 176.117 -0.122 0.000 1.019 46 I CA -1.249 60.038 61.300 -0.022 0.000 1.130 46 I CB 0.895 38.852 38.000 -0.073 0.000 1.262 46 I HN -0.200 nan 8.210 nan 0.000 0.454 47 F N 5.918 125.802 119.950 -0.110 0.000 2.520 47 F HA 0.678 5.206 4.527 0.002 0.000 0.322 47 F C -0.233 175.459 175.800 -0.179 0.000 1.103 47 F CA -1.161 56.724 58.000 -0.192 0.000 0.926 47 F CB 1.019 39.935 39.000 -0.140 0.000 1.154 47 F HN 0.333 nan 8.300 nan 0.000 0.453 48 K N 2.094 122.453 120.400 -0.069 0.000 2.107 48 K HA 0.756 5.077 4.320 0.001 0.000 0.251 48 K C -0.782 175.816 176.600 -0.004 0.000 1.012 48 K CA -0.331 55.928 56.287 -0.046 0.000 0.920 48 K CB 1.718 34.168 32.500 -0.083 0.000 1.033 48 K HN 0.956 nan 8.250 nan 0.000 0.478 49 T N -0.486 114.092 114.554 0.041 0.000 2.637 49 T HA 0.365 4.716 4.350 0.001 0.000 0.303 49 T C -1.809 172.939 174.700 0.080 0.000 1.288 49 T CA -0.997 61.141 62.100 0.064 0.000 1.040 49 T CB 1.298 70.320 68.868 0.257 0.000 1.644 49 T HN 0.744 nan 8.240 nan 0.000 0.480 50 R N 1.384 121.920 120.500 0.060 0.000 2.533 50 R HA 0.676 5.017 4.340 0.001 0.000 0.288 50 R C -1.904 174.296 176.300 -0.167 0.000 1.039 50 R CA -0.594 55.460 56.100 -0.076 0.000 0.909 50 R CB 0.940 31.190 30.300 -0.082 0.000 1.195 50 R HN 0.552 nan 8.270 nan 0.000 0.438 51 L N 5.900 126.970 121.223 -0.255 0.000 2.406 51 L HA 0.501 4.842 4.340 0.001 0.000 0.272 51 L C -0.480 176.189 176.870 -0.336 0.000 0.980 51 L CA -0.852 53.800 54.840 -0.314 0.000 0.831 51 L CB 1.611 43.489 42.059 -0.302 0.000 1.253 51 L HN 0.774 nan 8.230 nan 0.000 0.406 52 F N 2.787 122.407 119.950 -0.551 0.000 2.943 52 F HA -0.255 4.273 4.527 0.002 0.000 0.258 52 F C 1.472 176.445 175.800 -1.378 0.000 0.995 52 F CA 1.075 58.536 58.000 -0.898 0.000 0.896 52 F CB -1.258 37.514 39.000 -0.380 0.000 0.821 52 F HN 0.918 nan 8.300 nan 0.000 0.828 53 G N -0.736 107.093 108.800 -1.618 0.000 2.162 53 G HA2 -0.307 3.654 3.960 0.001 0.000 0.260 53 G HA3 -0.307 3.654 3.960 0.001 0.000 0.260 53 G C 0.151 174.673 174.900 -0.631 0.000 0.976 53 G CA 0.246 44.420 45.100 -1.542 0.000 0.655 53 G HN 0.343 nan 8.290 nan 0.000 0.533 54 K N 0.552 120.653 120.400 -0.498 0.000 2.324 54 K HA 0.385 4.706 4.320 0.001 0.000 0.253 54 K C -0.279 176.072 176.600 -0.415 0.000 0.932 54 K CA -0.913 55.158 56.287 -0.361 0.000 0.799 54 K CB 1.221 33.583 32.500 -0.231 0.000 1.154 54 K HN 0.163 nan 8.250 nan 0.000 0.425 55 N N 1.047 119.392 118.700 -0.592 0.000 2.529 55 N HA 0.284 5.024 4.740 0.001 0.000 0.278 55 N C -0.535 174.742 175.510 -0.389 0.000 1.146 55 N CA -0.269 52.338 53.050 -0.738 0.000 0.980 55 N CB 1.252 38.657 38.487 -1.804 0.000 1.124 55 N HN 0.128 nan 8.380 nan 0.000 0.458 56 V N 2.405 122.229 119.914 -0.149 0.000 2.733 56 V HA 0.420 4.541 4.120 0.001 0.000 0.306 56 V C -0.101 176.048 176.094 0.092 0.000 1.084 56 V CA -0.688 61.627 62.300 0.025 0.000 0.905 56 V CB 1.912 33.753 31.823 0.030 0.000 1.010 56 V HN 0.481 nan 8.190 nan 0.000 0.424 57 I N 4.519 125.087 120.570 -0.002 0.000 2.321 57 I HA 0.437 4.607 4.170 0.001 0.000 0.291 57 I C -0.888 175.060 176.117 -0.282 0.000 0.998 57 I CA -0.192 61.010 61.300 -0.162 0.000 1.227 57 I CB 1.196 38.931 38.000 -0.442 0.000 1.368 57 I HN 0.412 nan 8.210 nan 0.000 0.466 58 F N 7.444 127.038 119.950 -0.593 0.000 2.404 58 F HA 0.461 4.989 4.527 0.002 0.000 0.358 58 F C 0.528 176.064 175.800 -0.440 0.000 1.120 58 F CA -0.546 57.072 58.000 -0.636 0.000 1.144 58 F CB 0.672 38.994 39.000 -1.130 0.000 1.133 58 F HN 0.235 nan 8.300 nan 0.000 0.495 59 I N 0.286 120.796 120.570 -0.100 0.000 3.023 59 I HA 0.938 5.109 4.170 0.001 0.000 0.312 59 I C -0.418 175.728 176.117 0.048 0.000 1.056 59 I CA -0.797 60.523 61.300 0.033 0.000 1.033 59 I CB 2.335 40.389 38.000 0.090 0.000 1.233 59 I HN 0.493 nan 8.210 nan 0.000 0.462 60 S N 1.257 117.021 115.700 0.106 0.000 2.595 60 S HA 0.800 5.271 4.470 0.001 0.000 0.270 60 S C -0.404 174.287 174.600 0.151 0.000 1.145 60 S CA -0.103 58.170 58.200 0.122 0.000 0.825 60 S CB 0.890 64.175 63.200 0.141 0.000 1.107 60 S HN 2.499 nan 8.310 nan 0.000 0.461 61 G N 0.541 109.441 108.800 0.166 0.000 2.707 61 G HA2 0.405 4.366 3.960 0.001 0.000 0.686 61 G HA3 0.405 4.366 3.960 0.001 0.000 0.686 61 G C 0.788 175.790 174.900 0.170 0.000 1.315 61 G CA 0.058 45.270 45.100 0.186 0.000 0.832 61 G HN 2.030 nan 8.290 nan 0.000 0.573 62 A N -0.532 122.403 122.820 0.192 0.000 1.948 62 A HA 0.066 4.387 4.320 0.001 0.000 0.220 62 A C 2.600 180.302 177.584 0.197 0.000 1.177 62 A CA 2.690 54.859 52.037 0.220 0.000 0.636 62 A CB -0.274 18.848 19.000 0.203 0.000 0.815 62 A HN 1.443 nan 8.150 nan 0.000 0.449 63 L N -0.973 120.368 121.223 0.197 0.000 2.156 63 L HA 0.031 4.372 4.340 0.001 0.000 0.208 63 L C 2.811 179.802 176.870 0.201 0.000 1.095 63 L CA 1.567 56.557 54.840 0.250 0.000 0.770 63 L CB -0.507 41.725 42.059 0.288 0.000 0.914 63 L HN 0.367 nan 8.230 nan 0.000 0.439 64 A N -0.606 122.258 122.820 0.074 0.000 1.897 64 A HA -0.171 4.150 4.320 0.001 0.000 0.215 64 A C 2.059 179.370 177.584 -0.456 0.000 1.181 64 A CA 1.587 53.429 52.037 -0.324 0.000 0.620 64 A CB -0.574 18.346 19.000 -0.134 0.000 0.821 64 A HN 0.478 nan 8.150 nan 0.000 0.443 65 N N -0.048 118.406 118.700 -0.411 0.000 2.043 65 N HA -0.205 4.536 4.740 0.001 0.000 0.193 65 N C 1.801 176.675 175.510 -1.059 0.000 1.037 65 N CA 1.716 54.262 53.050 -0.840 0.000 0.851 65 N CB -0.577 37.728 38.487 -0.303 0.000 1.027 65 N HN 0.612 nan 8.380 nan 0.000 0.422 66 R N 0.007 120.199 120.500 -0.514 0.000 2.119 66 R HA -0.180 4.161 4.340 0.001 0.000 0.246 66 R C 2.169 178.294 176.300 -0.292 0.000 1.146 66 R CA 1.396 57.285 56.100 -0.352 0.000 0.962 66 R CB -0.558 29.853 30.300 0.186 0.000 0.863 66 R HN 0.247 nan 8.270 nan 0.000 0.442 67 F N 0.817 120.511 119.950 -0.426 0.000 2.095 67 F HA -0.159 4.369 4.527 0.002 0.000 0.298 67 F C 1.719 177.269 175.800 -0.416 0.000 1.104 67 F CA 1.588 59.354 58.000 -0.390 0.000 1.232 67 F CB -0.492 38.084 39.000 -0.707 0.000 0.987 67 F HN 0.030 nan 8.300 nan 0.000 0.475 68 L N -0.908 119.633 121.223 -1.137 0.000 2.131 68 L HA -0.182 4.159 4.340 0.001 0.000 0.210 68 L C 1.532 177.797 176.870 -1.007 0.000 1.092 68 L CA 1.178 55.059 54.840 -1.598 0.000 0.759 68 L CB -0.548 40.422 42.059 -1.816 0.000 0.903 68 L HN 0.123 nan 8.230 nan 0.000 0.435 69 F N -1.494 118.066 119.950 -0.650 0.000 2.730 69 F HA 0.181 4.709 4.527 0.001 0.000 0.295 69 F C 0.430 176.072 175.800 -0.263 0.000 1.143 69 F CA -0.440 57.266 58.000 -0.491 0.000 1.367 69 F CB 0.312 38.867 39.000 -0.742 0.000 0.970 69 F HN -0.176 nan 8.300 nan 0.000 0.514 70 T N 0.373 114.885 114.554 -0.071 0.000 2.921 70 T HA 0.449 4.800 4.350 0.001 0.000 0.297 70 T C 0.381 175.093 174.700 0.020 0.000 1.013 70 T CA -0.249 61.856 62.100 0.009 0.000 0.990 70 T CB 1.695 70.577 68.868 0.023 0.000 1.023 70 T HN 0.210 nan 8.240 nan 0.000 0.447 71 K N 1.938 122.359 120.400 0.034 0.000 3.020 71 K HA -0.283 4.038 4.320 0.001 0.000 0.266 71 K C 1.040 177.640 176.600 0.000 0.000 1.067 71 K CA 2.418 58.712 56.287 0.013 0.000 0.780 71 K CB -2.776 29.722 32.500 -0.003 0.000 1.220 71 K HN 0.908 nan 8.250 nan 0.000 0.483 72 E N -0.194 120.035 120.200 0.048 0.000 2.070 72 E HA -0.324 4.027 4.350 0.001 0.000 0.197 72 E C 2.247 178.884 176.600 0.062 0.000 1.004 72 E CA 1.729 58.197 56.400 0.114 0.000 0.805 72 E CB -0.043 29.727 29.700 0.116 0.000 0.744 72 E HN 0.842 nan 8.360 nan 0.000 0.451 73 Q N 0.019 119.842 119.800 0.039 0.000 2.082 73 Q HA -0.277 4.064 4.340 0.001 0.000 0.211 73 Q C 1.673 177.669 176.000 -0.007 0.000 1.002 73 Q CA 2.519 58.339 55.803 0.028 0.000 0.868 73 Q CB 0.003 28.759 28.738 0.029 0.000 0.931 73 Q HN 0.298 nan 8.270 nan 0.000 0.414 74 E N -1.100 119.076 120.200 -0.040 0.000 2.371 74 E HA -0.028 4.322 4.350 0.001 0.000 0.194 74 E C 1.663 178.179 176.600 -0.140 0.000 1.012 74 E CA 1.321 57.681 56.400 -0.065 0.000 0.860 74 E CB 0.156 29.825 29.700 -0.052 0.000 0.811 74 E HN 0.361 nan 8.360 nan 0.000 0.502 75 T N -0.100 114.304 114.554 -0.249 0.000 2.898 75 T HA 0.148 4.499 4.350 0.001 0.000 0.241 75 T C 0.212 174.542 174.700 -0.617 0.000 1.024 75 T CA 0.502 62.269 62.100 -0.554 0.000 1.174 75 T CB -0.149 68.134 68.868 -0.975 0.000 0.873 75 T HN -0.030 nan 8.240 nan 0.000 0.422 76 F N 2.329 122.208 119.950 -0.118 0.000 2.480 76 F HA 0.555 5.083 4.527 0.001 0.000 0.329 76 F C 0.204 175.960 175.800 -0.073 0.000 1.091 76 F CA -1.279 56.656 58.000 -0.108 0.000 0.972 76 F CB 1.313 40.211 39.000 -0.169 0.000 1.150 76 F HN 0.095 nan 8.300 nan 0.000 0.467 77 Q N 1.657 121.535 119.800 0.130 0.000 2.413 77 Q HA 0.860 5.201 4.340 0.001 0.000 0.276 77 Q C -1.059 174.953 176.000 0.020 0.000 1.099 77 Q CA -1.496 54.339 55.803 0.054 0.000 0.814 77 Q CB 2.148 30.906 28.738 0.033 0.000 1.379 77 Q HN 0.765 nan 8.270 nan 0.000 0.436 78 A N 1.081 123.885 122.820 -0.027 0.000 2.448 78 A HA 0.466 4.787 4.320 0.001 0.000 0.239 78 A C -0.068 177.440 177.584 -0.127 0.000 1.080 78 A CA 0.513 52.489 52.037 -0.101 0.000 0.779 78 A CB 0.684 19.654 19.000 -0.049 0.000 1.026 78 A HN 0.681 nan 8.150 nan 0.000 0.499 79 T N 0.290 114.640 114.554 -0.341 0.000 3.041 79 T HA 0.525 4.876 4.350 0.001 0.000 0.321 79 T C -1.880 172.495 174.700 -0.541 0.000 1.184 79 T CA -0.251 61.692 62.100 -0.261 0.000 1.050 79 T CB 0.368 69.161 68.868 -0.125 0.000 1.159 79 T HN 0.611 nan 8.240 nan 0.000 0.469 80 W N 3.650 124.942 121.300 -0.013 0.000 2.936 80 W HA 0.555 5.215 4.660 0.001 0.000 0.338 80 W C -2.287 174.170 176.519 -0.103 0.000 1.121 80 W CA -1.989 55.339 57.345 -0.029 0.000 1.209 80 W CB 1.039 30.492 29.460 -0.012 0.000 1.420 80 W HN 0.522 nan 8.180 nan 0.000 0.516 81 P HA -0.073 nan 4.420 nan 0.000 0.269 81 P C 0.707 177.955 177.300 -0.086 0.000 1.217 81 P CA -0.235 62.815 63.100 -0.084 0.000 0.783 81 P CB 0.664 32.312 31.700 -0.087 0.000 0.898 82 L N 2.338 123.455 121.223 -0.177 0.000 2.046 82 L HA -0.203 4.138 4.340 0.001 0.000 0.208 82 L C 2.044 178.835 176.870 -0.132 0.000 1.077 82 L CA 2.405 57.167 54.840 -0.129 0.000 0.747 82 L CB -1.460 40.515 42.059 -0.141 0.000 0.896 82 L HN 0.433 nan 8.230 nan 0.000 0.432 83 S N -2.366 113.213 115.700 -0.202 0.000 2.382 83 S HA -0.177 4.294 4.470 0.001 0.000 0.228 83 S C 1.805 176.342 174.600 -0.104 0.000 1.027 83 S CA 1.530 59.662 58.200 -0.113 0.000 0.991 83 S CB -1.292 61.800 63.200 -0.181 0.000 0.823 83 S HN 0.558 nan 8.310 nan 0.000 0.469 84 T N 2.301 116.708 114.554 -0.246 0.000 2.737 84 T HA 0.013 4.364 4.350 0.001 0.000 0.265 84 T C 1.958 176.463 174.700 -0.326 0.000 1.038 84 T CA 1.077 62.916 62.100 -0.436 0.000 1.144 84 T CB -0.260 68.325 68.868 -0.471 0.000 0.866 84 T HN 0.371 nan 8.240 nan 0.000 0.434 85 R N 0.474 120.882 120.500 -0.153 0.000 2.096 85 R HA -0.059 4.282 4.340 0.001 0.000 0.240 85 R C 2.476 178.720 176.300 -0.094 0.000 1.139 85 R CA 1.497 57.537 56.100 -0.099 0.000 0.952 85 R CB -0.645 29.656 30.300 0.003 0.000 0.854 85 R HN 0.410 nan 8.270 nan 0.000 0.436 86 I N 0.656 121.197 120.570 -0.048 0.000 2.179 86 I HA -0.289 3.882 4.170 0.001 0.000 0.242 86 I C 2.207 178.293 176.117 -0.052 0.000 1.088 86 I CA 1.335 62.633 61.300 -0.004 0.000 1.357 86 I CB -0.185 37.887 38.000 0.119 0.000 1.051 86 I HN 0.162 nan 8.210 nan 0.000 0.409 87 L N -0.120 121.041 121.223 -0.104 0.000 2.240 87 L HA -0.111 4.230 4.340 0.001 0.000 0.211 87 L C 2.386 179.218 176.870 -0.062 0.000 1.106 87 L CA 0.703 55.468 54.840 -0.124 0.000 0.793 87 L CB -0.248 41.636 42.059 -0.290 0.000 0.927 87 L HN 0.251 nan 8.230 nan 0.000 0.446 88 L N -0.570 120.534 121.223 -0.198 0.000 2.072 88 L HA 0.106 4.447 4.340 0.001 0.000 0.205 88 L C 1.126 177.949 176.870 -0.078 0.000 1.079 88 L CA 0.727 55.472 54.840 -0.157 0.000 0.752 88 L CB -0.700 41.160 42.059 -0.331 0.000 0.906 88 L HN 0.427 nan 8.230 nan 0.000 0.436 89 G N -0.740 108.008 108.800 -0.086 0.000 2.663 89 G HA2 -0.145 3.816 3.960 0.001 0.000 0.686 89 G HA3 -0.145 3.816 3.960 0.001 0.000 0.686 89 G C -2.412 172.466 174.900 -0.037 0.000 1.288 89 G CA -0.309 44.761 45.100 -0.050 0.000 0.836 89 G HN 0.008 nan 8.290 nan 0.000 0.584 90 P HA 0.108 nan 4.420 nan 0.000 0.245 90 P C 0.562 177.872 177.300 0.016 0.000 1.212 90 P CA 0.667 63.770 63.100 0.005 0.000 0.774 90 P CB 0.183 31.887 31.700 0.007 0.000 0.999 91 N N -0.297 118.408 118.700 0.008 0.000 2.351 91 N HA 0.268 5.009 4.740 0.001 0.000 0.254 91 N C -0.146 175.378 175.510 0.023 0.000 1.241 91 N CA -0.128 52.932 53.050 0.016 0.000 0.883 91 N CB 1.107 39.596 38.487 0.004 0.000 1.202 91 N HN 0.057 nan 8.380 nan 0.000 0.512 92 A N 0.197 123.035 122.820 0.030 0.000 2.320 92 A HA 0.417 4.737 4.320 0.001 0.000 0.334 92 A C 1.246 178.885 177.584 0.093 0.000 1.147 92 A CA -0.521 51.544 52.037 0.045 0.000 0.820 92 A CB 1.111 20.126 19.000 0.024 0.000 1.218 92 A HN 0.136 nan 8.150 nan 0.000 0.482 93 L N 2.394 123.690 121.223 0.121 0.000 2.013 93 L HA -0.181 4.160 4.340 0.001 0.000 0.212 93 L C 2.578 179.614 176.870 0.277 0.000 1.073 93 L CA 3.115 58.077 54.840 0.204 0.000 0.753 93 L CB -0.744 41.425 42.059 0.183 0.000 0.890 93 L HN 0.828 nan 8.230 nan 0.000 0.432 94 A N -1.522 121.432 122.820 0.223 0.000 1.948 94 A HA -0.251 4.070 4.320 0.001 0.000 0.220 94 A C 2.217 180.012 177.584 0.352 0.000 1.177 94 A CA 2.488 54.706 52.037 0.303 0.000 0.636 94 A CB -1.221 17.856 19.000 0.128 0.000 0.815 94 A HN 0.632 nan 8.150 nan 0.000 0.449 95 T N -3.059 111.591 114.554 0.159 0.000 3.069 95 T HA 0.284 4.635 4.350 0.001 0.000 0.252 95 T C 0.612 175.402 174.700 0.151 0.000 1.053 95 T CA -0.122 62.077 62.100 0.164 0.000 0.964 95 T CB -0.048 68.836 68.868 0.027 0.000 1.005 95 T HN 0.518 nan 8.240 nan 0.000 0.532 96 Q N 0.814 120.711 119.800 0.160 0.000 2.260 96 Q HA 0.605 4.946 4.340 0.001 0.000 0.238 96 Q C -0.333 175.760 176.000 0.156 0.000 0.948 96 Q CA -0.534 55.361 55.803 0.152 0.000 0.895 96 Q CB 1.056 29.892 28.738 0.164 0.000 1.218 96 Q HN 0.278 nan 8.270 nan 0.000 0.470 97 M N -0.104 119.577 119.600 0.136 0.000 2.691 97 M HA 0.411 4.891 4.480 0.001 0.000 0.293 97 M C 0.735 177.113 176.300 0.130 0.000 1.259 97 M CA -0.286 55.078 55.300 0.108 0.000 0.827 97 M CB 0.943 33.587 32.600 0.073 0.000 1.753 97 M HN 0.853 nan 8.290 nan 0.000 0.465 98 G N 1.446 110.311 108.800 0.108 0.000 2.702 98 G HA2 -0.374 3.587 3.960 0.001 0.000 0.342 98 G HA3 -0.374 3.587 3.960 0.001 0.000 0.342 98 G C 0.773 175.748 174.900 0.125 0.000 1.258 98 G CA 1.532 46.694 45.100 0.104 0.000 0.990 98 G HN 0.826 nan 8.290 nan 0.000 0.548 99 E N 0.677 120.928 120.200 0.085 0.000 2.230 99 E HA 0.182 4.533 4.350 0.001 0.000 0.192 99 E C 2.627 179.264 176.600 0.061 0.000 0.987 99 E CA 1.308 57.747 56.400 0.065 0.000 0.841 99 E CB -0.205 29.522 29.700 0.045 0.000 0.783 99 E HN 0.632 nan 8.360 nan 0.000 0.481 100 I N 0.539 121.154 120.570 0.076 0.000 2.163 100 I HA -0.274 3.897 4.170 0.001 0.000 0.240 100 I C 2.646 178.816 176.117 0.089 0.000 1.081 100 I CA 1.567 62.911 61.300 0.072 0.000 1.353 100 I CB -0.580 37.464 38.000 0.073 0.000 1.054 100 I HN 0.313 nan 8.210 nan 0.000 0.407 101 H N 1.838 120.939 119.070 0.051 0.000 2.319 101 H HA -0.237 4.320 4.556 0.002 0.000 0.297 101 H C 2.449 177.807 175.328 0.050 0.000 1.097 101 H CA 2.126 58.209 56.048 0.059 0.000 1.285 101 H CB -0.002 29.804 29.762 0.074 0.000 1.368 101 H HN 0.174 nan 8.280 nan 0.000 0.495 102 R N 0.240 120.727 120.500 -0.022 0.000 2.094 102 R HA -0.164 4.177 4.340 0.001 0.000 0.239 102 R C 2.916 179.170 176.300 -0.076 0.000 1.137 102 R CA 2.015 58.078 56.100 -0.061 0.000 0.943 102 R CB -0.403 29.913 30.300 0.026 0.000 0.850 102 R HN 0.269 nan 8.270 nan 0.000 0.433 103 S N -0.369 115.312 115.700 -0.031 0.000 2.348 103 S HA -0.135 4.336 4.470 0.001 0.000 0.221 103 S C 1.988 176.568 174.600 -0.033 0.000 1.033 103 S CA 1.271 59.459 58.200 -0.020 0.000 1.010 103 S CB -0.142 63.060 63.200 0.003 0.000 0.891 103 S HN 0.284 nan 8.310 nan 0.000 0.442 104 R N 0.998 121.473 120.500 -0.042 0.000 2.148 104 R HA 0.245 4.586 4.340 0.001 0.000 0.227 104 R C 2.501 178.771 176.300 -0.050 0.000 1.103 104 R CA 0.962 57.044 56.100 -0.030 0.000 0.983 104 R CB -0.715 29.586 30.300 0.002 0.000 0.874 104 R HN 0.440 nan 8.270 nan 0.000 0.451 105 R N 0.195 120.604 120.500 -0.152 0.000 2.096 105 R HA -0.070 4.271 4.340 0.001 0.000 0.235 105 R C 1.809 178.105 176.300 -0.007 0.000 1.127 105 R CA 1.510 57.531 56.100 -0.133 0.000 0.968 105 R CB -0.001 30.110 30.300 -0.316 0.000 0.861 105 R HN 0.115 nan 8.270 nan 0.000 0.440 106 K N 0.090 120.485 120.400 -0.008 0.000 2.062 106 K HA -0.062 4.259 4.320 0.001 0.000 0.205 106 K C 2.030 178.687 176.600 0.095 0.000 1.051 106 K CA 1.032 57.357 56.287 0.062 0.000 0.941 106 K CB -0.012 32.505 32.500 0.030 0.000 0.719 106 K HN 0.123 nan 8.250 nan 0.000 0.440 107 I N 1.139 121.736 120.570 0.045 0.000 2.099 107 I HA -0.331 3.840 4.170 0.001 0.000 0.239 107 I C 2.053 178.195 176.117 0.041 0.000 1.066 107 I CA 1.421 62.739 61.300 0.031 0.000 1.324 107 I CB -0.188 37.816 38.000 0.007 0.000 1.037 107 I HN 0.135 nan 8.210 nan 0.000 0.401 108 L N -0.837 120.425 121.223 0.065 0.000 2.201 108 L HA -0.233 4.108 4.340 0.001 0.000 0.212 108 L C 2.541 179.541 176.870 0.216 0.000 1.105 108 L CA 0.927 55.820 54.840 0.089 0.000 0.775 108 L CB -0.732 41.397 42.059 0.117 0.000 0.913 108 L HN 0.291 nan 8.230 nan 0.000 0.440 109 Y N 1.098 121.481 120.300 0.140 0.000 2.483 109 Y HA -0.226 4.325 4.550 0.001 0.000 0.291 109 Y C 2.557 178.529 175.900 0.120 0.000 1.143 109 Y CA 1.050 59.277 58.100 0.211 0.000 1.289 109 Y CB -0.151 38.371 38.460 0.105 0.000 0.983 109 Y HN 0.209 nan 8.280 nan 0.000 0.556 110 Q N 0.228 119.985 119.800 -0.072 0.000 2.124 110 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 110 Q C 2.491 178.335 176.000 -0.261 0.000 0.977 110 Q CA 1.389 57.079 55.803 -0.187 0.000 0.850 110 Q CB -0.939 27.743 28.738 -0.094 0.000 0.901 110 Q HN 0.590 nan 8.270 nan 0.000 0.429 111 A N -0.685 121.943 122.820 -0.319 0.000 2.225 111 A HA -0.074 4.247 4.320 0.001 0.000 0.215 111 A C 0.949 178.152 177.584 -0.634 0.000 1.164 111 A CA 0.802 52.539 52.037 -0.500 0.000 0.710 111 A CB -0.443 18.107 19.000 -0.751 0.000 0.780 111 A HN 0.318 nan 8.150 nan 0.000 0.473 112 F N -1.137 118.726 119.950 -0.145 0.000 2.772 112 F HA 0.348 4.876 4.527 0.001 0.000 0.316 112 F C 0.184 175.798 175.800 -0.310 0.000 1.114 112 F CA -0.697 57.236 58.000 -0.112 0.000 1.191 112 F CB 0.222 39.229 39.000 0.012 0.000 1.065 112 F HN -0.088 nan 8.300 nan 0.000 0.534 113 L N 2.235 123.245 121.223 -0.354 0.000 2.483 113 L HA 0.075 4.416 4.340 0.001 0.000 0.276 113 L C -1.171 175.611 176.870 -0.147 0.000 1.213 113 L CA -1.417 53.217 54.840 -0.343 0.000 0.843 113 L CB 0.296 42.168 42.059 -0.312 0.000 1.107 113 L HN -0.131 nan 8.230 nan 0.000 0.487 114 P HA -0.133 nan 4.420 nan 0.000 0.220 114 P C 0.972 178.225 177.300 -0.078 0.000 1.144 114 P CA 1.437 64.516 63.100 -0.035 0.000 0.800 114 P CB 0.147 31.845 31.700 -0.003 0.000 0.772 115 R N -2.147 118.287 120.500 -0.110 0.000 2.265 115 R HA 0.143 4.483 4.340 0.001 0.000 0.194 115 R C 1.833 178.010 176.300 -0.205 0.000 0.931 115 R CA 0.838 56.863 56.100 -0.125 0.000 1.032 115 R CB -0.573 29.673 30.300 -0.091 0.000 0.980 115 R HN 0.139 nan 8.270 nan 0.000 0.497 116 T N 1.644 116.030 114.554 -0.280 0.000 2.857 116 T HA -0.000 4.351 4.350 0.001 0.000 0.266 116 T C 1.864 176.044 174.700 -0.867 0.000 1.048 116 T CA 0.773 62.578 62.100 -0.491 0.000 1.139 116 T CB -0.009 68.602 68.868 -0.428 0.000 0.874 116 T HN 0.077 nan 8.240 nan 0.000 0.455 117 L N 1.184 122.111 121.223 -0.494 0.000 1.970 117 L HA -0.156 4.184 4.340 0.001 0.000 0.212 117 L C 2.583 179.353 176.870 -0.166 0.000 1.071 117 L CA 1.439 56.126 54.840 -0.255 0.000 0.751 117 L CB -0.744 41.329 42.059 0.023 0.000 0.889 117 L HN 0.194 nan 8.230 nan 0.000 0.432 118 D N 0.051 120.373 120.400 -0.129 0.000 2.133 118 D HA -0.213 4.428 4.640 0.001 0.000 0.192 118 D C 2.275 178.531 176.300 -0.074 0.000 1.001 118 D CA 2.010 55.965 54.000 -0.076 0.000 0.844 118 D CB -0.203 40.556 40.800 -0.068 0.000 0.944 118 D HN 0.391 nan 8.370 nan 0.000 0.447 119 S N -0.437 115.173 115.700 -0.150 0.000 2.515 119 S HA -0.143 4.328 4.470 0.001 0.000 0.231 119 S C 1.764 176.379 174.600 0.026 0.000 0.987 119 S CA 0.310 58.453 58.200 -0.096 0.000 0.936 119 S CB -0.392 62.721 63.200 -0.144 0.000 0.766 119 S HN 0.175 nan 8.310 nan 0.000 0.528 120 Y N 1.431 121.732 120.300 0.001 0.000 2.519 120 Y HA 0.366 4.917 4.550 0.002 0.000 0.287 120 Y C 2.007 177.896 175.900 -0.019 0.000 1.128 120 Y CA -0.971 57.131 58.100 0.003 0.000 1.282 120 Y CB -0.702 37.791 38.460 0.054 0.000 1.027 120 Y HN 0.256 nan 8.280 nan 0.000 0.551 121 L N 0.129 121.425 121.223 0.122 0.000 2.012 121 L HA -0.208 4.133 4.340 0.001 0.000 0.210 121 L C -0.298 176.591 176.870 0.032 0.000 1.073 121 L CA 1.553 56.424 54.840 0.052 0.000 0.748 121 L CB -1.628 40.446 42.059 0.024 0.000 0.891 121 L HN 0.176 nan 8.230 nan 0.000 0.431 122 P HA -0.204 nan 4.420 nan 0.000 0.210 122 P C 1.382 178.688 177.300 0.011 0.000 1.185 122 P CA 1.511 64.622 63.100 0.018 0.000 0.924 122 P CB -0.010 31.702 31.700 0.019 0.000 0.786 123 K N -0.940 119.467 120.400 0.012 0.000 2.044 123 K HA -0.182 4.139 4.320 0.001 0.000 0.210 123 K C 2.296 178.879 176.600 -0.028 0.000 1.049 123 K CA 1.739 58.018 56.287 -0.013 0.000 0.927 123 K CB -0.671 31.812 32.500 -0.028 0.000 0.713 123 K HN 0.105 nan 8.250 nan 0.000 0.443 124 M N 1.109 120.692 119.600 -0.029 0.000 2.106 124 M HA -0.256 4.224 4.480 0.001 0.000 0.259 124 M C 1.638 177.923 176.300 -0.026 0.000 1.068 124 M CA 1.918 57.188 55.300 -0.050 0.000 1.100 124 M CB -0.092 32.475 32.600 -0.055 0.000 1.351 124 M HN 0.049 nan 8.290 nan 0.000 0.404 125 D N -0.541 119.855 120.400 -0.007 0.000 2.117 125 D HA -0.071 4.570 4.640 0.001 0.000 0.198 125 D C 1.908 178.214 176.300 0.011 0.000 0.982 125 D CA 1.676 55.680 54.000 0.007 0.000 0.828 125 D CB -0.429 40.377 40.800 0.009 0.000 0.967 125 D HN 0.481 nan 8.370 nan 0.000 0.464 126 G N 0.236 109.038 108.800 0.003 0.000 2.442 126 G HA2 -0.217 3.744 3.960 0.001 0.000 0.219 126 G HA3 -0.217 3.744 3.960 0.001 0.000 0.219 126 G C 1.779 176.682 174.900 0.005 0.000 1.141 126 G CA 0.691 45.791 45.100 -0.000 0.000 0.763 126 G HN 0.360 nan 8.290 nan 0.000 0.554 127 I N 0.070 120.645 120.570 0.009 0.000 2.353 127 I HA -0.074 4.096 4.170 0.001 0.000 0.248 127 I C 2.653 178.821 176.117 0.086 0.000 1.119 127 I CA 0.242 61.570 61.300 0.046 0.000 1.417 127 I CB 0.033 38.041 38.000 0.013 0.000 1.078 127 I HN 0.024 nan 8.210 nan 0.000 0.421 128 V N 0.039 119.979 119.914 0.044 0.000 2.323 128 V HA -0.216 3.905 4.120 0.001 0.000 0.244 128 V C 2.479 178.618 176.094 0.074 0.000 1.041 128 V CA 1.427 63.774 62.300 0.079 0.000 1.025 128 V CB -0.610 31.282 31.823 0.115 0.000 0.656 128 V HN 0.385 nan 8.190 nan 0.000 0.451 129 Q N 0.487 120.319 119.800 0.054 0.000 2.077 129 Q HA -0.192 4.149 4.340 0.001 0.000 0.206 129 Q C 2.394 178.398 176.000 0.007 0.000 0.989 129 Q CA 2.171 58.002 55.803 0.047 0.000 0.853 129 Q CB -1.144 27.613 28.738 0.032 0.000 0.907 129 Q HN 0.668 nan 8.270 nan 0.000 0.418 130 G N -0.415 108.371 108.800 -0.025 0.000 2.514 130 G HA2 -0.288 3.673 3.960 0.001 0.000 0.217 130 G HA3 -0.288 3.673 3.960 0.001 0.000 0.217 130 G C 1.204 175.962 174.900 -0.238 0.000 1.198 130 G CA 0.949 45.983 45.100 -0.110 0.000 0.780 130 G HN 0.360 nan 8.290 nan 0.000 0.565 131 Y N 0.446 120.506 120.300 -0.399 0.000 2.421 131 Y HA 0.094 4.645 4.550 0.001 0.000 0.292 131 Y C 2.726 178.061 175.900 -0.942 0.000 1.136 131 Y CA 0.592 58.181 58.100 -0.852 0.000 1.255 131 Y CB -0.042 37.735 38.460 -1.138 0.000 0.991 131 Y HN 0.093 nan 8.280 nan 0.000 0.552 132 L N -0.699 120.387 121.223 -0.228 0.000 2.072 132 L HA -0.170 4.171 4.340 0.001 0.000 0.205 132 L C 2.348 179.280 176.870 0.102 0.000 1.079 132 L CA 1.124 55.999 54.840 0.059 0.000 0.752 132 L CB -0.360 41.846 42.059 0.246 0.000 0.906 132 L HN 0.225 nan 8.230 nan 0.000 0.436 133 E N -0.059 120.177 120.200 0.061 0.000 2.012 133 E HA -0.343 4.008 4.350 0.001 0.000 0.197 133 E C 2.049 178.662 176.600 0.022 0.000 1.007 133 E CA 1.775 58.223 56.400 0.080 0.000 0.816 133 E CB -0.222 29.489 29.700 0.018 0.000 0.762 133 E HN 0.452 nan 8.360 nan 0.000 0.451 134 Q N -0.069 119.667 119.800 -0.106 0.000 2.156 134 Q HA -0.213 4.127 4.340 0.001 0.000 0.211 134 Q C 1.917 177.930 176.000 0.022 0.000 0.995 134 Q CA 1.847 57.580 55.803 -0.116 0.000 0.877 134 Q CB -0.133 28.430 28.738 -0.292 0.000 0.920 134 Q HN 0.370 nan 8.270 nan 0.000 0.416 135 W N -0.510 120.764 121.300 -0.043 0.000 2.467 135 W HA 0.100 4.761 4.660 0.001 0.000 0.275 135 W C 2.181 178.569 176.519 -0.220 0.000 1.239 135 W CA 0.939 58.206 57.345 -0.129 0.000 1.266 135 W CB -0.991 28.400 29.460 -0.114 0.000 1.112 135 W HN 0.350 nan 8.180 nan 0.000 0.576 136 G N 0.761 109.589 108.800 0.046 0.000 2.394 136 G HA2 -0.207 3.754 3.960 0.001 0.000 0.215 136 G HA3 -0.207 3.754 3.960 0.001 0.000 0.215 136 G C 1.619 176.588 174.900 0.115 0.000 1.165 136 G CA 0.667 45.817 45.100 0.083 0.000 0.784 136 G HN 0.168 nan 8.290 nan 0.000 0.535 137 K N 0.938 121.396 120.400 0.097 0.000 2.217 137 K HA 0.176 4.497 4.320 0.001 0.000 0.202 137 K C 1.334 177.963 176.600 0.048 0.000 1.051 137 K CA 0.528 56.858 56.287 0.073 0.000 0.952 137 K CB -0.096 32.435 32.500 0.053 0.000 0.736 137 K HN 0.269 nan 8.250 nan 0.000 0.453 138 A N 2.204 125.047 122.820 0.039 0.000 2.450 138 A HA 0.082 4.403 4.320 0.001 0.000 0.255 138 A C 0.314 177.894 177.584 -0.007 0.000 1.096 138 A CA -0.303 51.744 52.037 0.017 0.000 0.778 138 A CB 0.064 19.076 19.000 0.020 0.000 1.031 138 A HN 0.195 nan 8.150 nan 0.000 0.494 139 N N 0.514 119.214 118.700 -0.000 0.000 2.512 139 N HA 0.013 4.754 4.740 0.001 0.000 0.183 139 N C 0.213 175.704 175.510 -0.033 0.000 1.073 139 N CA 1.028 54.079 53.050 0.000 0.000 0.911 139 N CB 0.298 38.795 38.487 0.017 0.000 0.964 139 N HN 0.816 nan 8.380 nan 0.000 0.447 140 E N -0.190 119.975 120.200 -0.058 0.000 2.343 140 E HA 0.364 4.715 4.350 0.001 0.000 0.278 140 E C -1.779 174.735 176.600 -0.144 0.000 0.910 140 E CA -0.522 55.816 56.400 -0.103 0.000 0.757 140 E CB 1.980 31.643 29.700 -0.063 0.000 1.218 140 E HN -0.278 nan 8.360 nan 0.000 0.435 141 V N 4.544 124.297 119.914 -0.269 0.000 2.483 141 V HA 0.341 4.462 4.120 0.001 0.000 0.297 141 V C -0.444 175.461 176.094 -0.314 0.000 1.027 141 V CA -0.753 61.338 62.300 -0.347 0.000 0.855 141 V CB 1.361 32.761 31.823 -0.705 0.000 0.995 141 V HN 0.540 nan 8.190 nan 0.000 0.424 142 I N 4.832 125.325 120.570 -0.128 0.000 2.329 142 I HA 0.158 4.329 4.170 0.001 0.000 0.295 142 I C 0.747 176.893 176.117 0.050 0.000 1.109 142 I CA 0.303 61.589 61.300 -0.024 0.000 1.297 142 I CB 0.124 38.147 38.000 0.037 0.000 1.433 142 I HN 0.663 nan 8.210 nan 0.000 0.509 143 W N 4.431 125.654 121.300 -0.128 0.000 2.408 143 W HA -0.178 4.483 4.660 0.002 0.000 0.311 143 W C 2.318 178.759 176.519 -0.130 0.000 1.190 143 W CA 0.999 58.201 57.345 -0.239 0.000 1.321 143 W CB -0.809 28.457 29.460 -0.323 0.000 1.143 143 W HN 0.572 nan 8.180 nan 0.000 0.501 144 Y N 1.307 121.666 120.300 0.099 0.000 2.014 144 Y HA -0.281 4.270 4.550 0.001 0.000 0.272 144 Y C -0.433 175.496 175.900 0.047 0.000 1.164 144 Y CA 3.168 61.282 58.100 0.023 0.000 1.114 144 Y CB -1.754 36.721 38.460 0.025 0.000 0.961 144 Y HN -0.139 nan 8.280 nan 0.000 0.489 145 P HA -0.167 nan 4.420 nan 0.000 0.219 145 P C 1.203 178.602 177.300 0.164 0.000 1.146 145 P CA 1.713 64.949 63.100 0.226 0.000 0.808 145 P CB -0.034 31.808 31.700 0.237 0.000 0.779 146 Q N -1.146 118.758 119.800 0.173 0.000 2.269 146 Q HA 0.061 4.402 4.340 0.001 0.000 0.201 146 Q C 2.104 178.224 176.000 0.201 0.000 0.946 146 Q CA 0.888 56.872 55.803 0.302 0.000 0.877 146 Q CB -0.443 28.590 28.738 0.491 0.000 0.963 146 Q HN 0.365 nan 8.270 nan 0.000 0.472 147 L N -0.326 120.845 121.223 -0.087 0.000 2.095 147 L HA -0.063 4.277 4.340 0.001 0.000 0.204 147 L C 2.570 179.275 176.870 -0.274 0.000 1.080 147 L CA 0.659 55.314 54.840 -0.308 0.000 0.759 147 L CB -0.364 41.340 42.059 -0.593 0.000 0.914 147 L HN 0.089 nan 8.230 nan 0.000 0.439 148 R N 0.222 120.591 120.500 -0.218 0.000 2.113 148 R HA -0.218 4.123 4.340 0.001 0.000 0.244 148 R C 2.503 178.897 176.300 0.155 0.000 1.142 148 R CA 1.877 57.961 56.100 -0.028 0.000 0.953 148 R CB -0.286 30.129 30.300 0.193 0.000 0.860 148 R HN 0.322 nan 8.270 nan 0.000 0.438 149 R N -0.055 120.403 120.500 -0.070 0.000 2.075 149 R HA -0.083 4.258 4.340 0.001 0.000 0.232 149 R C 2.394 178.583 176.300 -0.184 0.000 1.126 149 R CA 1.522 57.429 56.100 -0.321 0.000 0.963 149 R CB -0.231 29.905 30.300 -0.274 0.000 0.858 149 R HN 0.261 nan 8.270 nan 0.000 0.435 150 M N 0.716 120.057 119.600 -0.432 0.000 2.086 150 M HA -0.182 4.299 4.480 0.001 0.000 0.261 150 M C 2.122 178.229 176.300 -0.322 0.000 1.067 150 M CA 2.367 57.203 55.300 -0.773 0.000 1.116 150 M CB -0.275 31.726 32.600 -0.999 0.000 1.348 150 M HN 0.241 nan 8.290 nan 0.000 0.407 151 T N -1.143 113.295 114.554 -0.194 0.000 2.684 151 T HA -0.240 4.111 4.350 0.001 0.000 0.267 151 T C 1.591 176.339 174.700 0.079 0.000 1.036 151 T CA 1.686 63.746 62.100 -0.067 0.000 1.148 151 T CB -1.254 67.589 68.868 -0.042 0.000 0.863 151 T HN 0.519 nan 8.240 nan 0.000 0.436 152 F N 2.729 122.739 119.950 0.100 0.000 2.126 152 F HA -0.052 4.476 4.527 0.002 0.000 0.299 152 F C 1.790 177.585 175.800 -0.009 0.000 1.096 152 F CA 1.741 59.820 58.000 0.133 0.000 1.255 152 F CB -0.453 38.739 39.000 0.320 0.000 0.997 152 F HN 0.078 nan 8.300 nan 0.000 0.479 153 D N -0.096 120.351 120.400 0.078 0.000 2.097 153 D HA -0.166 4.475 4.640 0.001 0.000 0.195 153 D C 2.500 178.711 176.300 -0.148 0.000 0.989 153 D CA 1.691 55.679 54.000 -0.020 0.000 0.827 153 D CB -0.611 40.231 40.800 0.069 0.000 0.966 153 D HN 0.200 nan 8.370 nan 0.000 0.456 154 V N 1.259 121.080 119.914 -0.155 0.000 2.255 154 V HA -0.269 3.852 4.120 0.001 0.000 0.247 154 V C 2.464 178.362 176.094 -0.327 0.000 1.051 154 V CA 1.915 64.100 62.300 -0.193 0.000 1.018 154 V CB -0.992 30.734 31.823 -0.162 0.000 0.641 154 V HN 0.211 nan 8.190 nan 0.000 0.445 155 A N 0.313 122.925 122.820 -0.347 0.000 1.849 155 A HA -0.228 4.093 4.320 0.001 0.000 0.217 155 A C 2.425 179.519 177.584 -0.816 0.000 1.202 155 A CA 2.739 54.378 52.037 -0.662 0.000 0.629 155 A CB -1.149 17.702 19.000 -0.248 0.000 0.834 155 A HN 0.637 nan 8.150 nan 0.000 0.447 156 A N -1.601 120.849 122.820 -0.617 0.000 2.019 156 A HA -0.033 4.288 4.320 0.001 0.000 0.219 156 A C 2.252 179.641 177.584 -0.325 0.000 1.164 156 A CA 2.244 53.991 52.037 -0.483 0.000 0.644 156 A CB -1.097 17.516 19.000 -0.646 0.000 0.805 156 A HN 0.486 nan 8.150 nan 0.000 0.449 157 T N 0.291 114.650 114.554 -0.325 0.000 2.770 157 T HA -0.015 4.336 4.350 0.001 0.000 0.263 157 T C 1.783 176.304 174.700 -0.298 0.000 1.039 157 T CA 1.336 63.292 62.100 -0.240 0.000 1.142 157 T CB -0.303 68.454 68.868 -0.186 0.000 0.868 157 T HN 0.371 nan 8.240 nan 0.000 0.435 158 L N -0.192 120.737 121.223 -0.490 0.000 2.156 158 L HA 0.026 4.366 4.340 0.001 0.000 0.208 158 L C 2.154 178.714 176.870 -0.516 0.000 1.095 158 L CA 1.024 55.488 54.840 -0.628 0.000 0.770 158 L CB -0.444 41.067 42.059 -0.914 0.000 0.914 158 L HN 0.226 nan 8.230 nan 0.000 0.439 159 F N -1.036 118.724 119.950 -0.316 0.000 2.335 159 F HA 0.031 4.559 4.527 0.001 0.000 0.296 159 F C 2.007 177.694 175.800 -0.188 0.000 1.091 159 F CA 0.782 58.618 58.000 -0.273 0.000 1.399 159 F CB -0.301 38.535 39.000 -0.274 0.000 1.067 159 F HN -0.009 nan 8.300 nan 0.000 0.520 160 M N -1.300 118.287 119.600 -0.021 0.000 2.241 160 M HA 0.402 4.883 4.480 0.001 0.000 0.374 160 M C 0.199 176.472 176.300 -0.045 0.000 0.922 160 M CA 0.234 55.518 55.300 -0.027 0.000 1.031 160 M CB 1.451 34.037 32.600 -0.023 0.000 1.864 160 M HN 0.052 nan 8.290 nan 0.000 0.636 161 G N 0.802 109.559 108.800 -0.071 0.000 2.675 161 G HA2 -0.043 3.918 3.960 0.001 0.000 0.686 161 G HA3 -0.043 3.918 3.960 0.001 0.000 0.686 161 G C 0.080 174.944 174.900 -0.060 0.000 1.215 161 G CA -0.194 44.871 45.100 -0.058 0.000 0.777 161 G HN 0.301 nan 8.290 nan 0.000 0.638 162 E N 0.164 120.333 120.200 -0.052 0.000 2.153 162 E HA 0.026 4.377 4.350 0.001 0.000 0.194 162 E C 2.777 179.359 176.600 -0.031 0.000 0.988 162 E CA 2.908 59.280 56.400 -0.046 0.000 0.811 162 E CB -0.780 28.897 29.700 -0.038 0.000 0.746 162 E HN 2.105 nan 8.360 nan 0.000 0.466 163 K N 0.321 120.706 120.400 -0.024 0.000 2.148 163 K HA 0.159 4.480 4.320 0.001 0.000 0.204 163 K C 2.491 179.087 176.600 -0.007 0.000 1.050 163 K CA 1.197 57.475 56.287 -0.014 0.000 0.942 163 K CB -0.926 31.568 32.500 -0.011 0.000 0.724 163 K HN 0.360 nan 8.250 nan 0.000 0.446 164 V N 1.991 121.898 119.914 -0.011 0.000 2.427 164 V HA -0.213 3.908 4.120 0.001 0.000 0.248 164 V C 2.553 178.654 176.094 0.012 0.000 1.051 164 V CA 2.215 64.515 62.300 0.001 0.000 1.048 164 V CB -0.138 31.678 31.823 -0.012 0.000 0.666 164 V HN 0.735 nan 8.190 nan 0.000 0.456 165 S N 0.944 116.638 115.700 -0.010 0.000 2.522 165 S HA -0.143 4.328 4.470 0.001 0.000 0.227 165 S C 1.500 176.124 174.600 0.041 0.000 0.986 165 S CA 0.590 58.799 58.200 0.015 0.000 0.929 165 S CB -0.325 62.853 63.200 -0.036 0.000 0.769 165 S HN 0.870 nan 8.310 nan 0.000 0.529 166 Q N 1.443 121.252 119.800 0.015 0.000 2.217 166 Q HA 0.257 4.598 4.340 0.001 0.000 0.226 166 Q C -0.291 175.712 176.000 0.005 0.000 0.875 166 Q CA -0.407 55.400 55.803 0.007 0.000 0.974 166 Q CB -0.355 28.377 28.738 -0.010 0.000 1.079 166 Q HN 0.241 nan 8.270 nan 0.000 0.463 167 N N 2.554 121.267 118.700 0.021 0.000 2.500 167 N HA 0.148 4.889 4.740 0.001 0.000 0.236 167 N C -1.912 173.588 175.510 -0.017 0.000 1.022 167 N CA -2.116 50.937 53.050 0.005 0.000 0.935 167 N CB 1.500 40.006 38.487 0.032 0.000 1.147 167 N HN 0.057 nan 8.380 nan 0.000 0.512 168 P HA -0.010 nan 4.420 nan 0.000 0.236 168 P C 0.307 177.498 177.300 -0.182 0.000 1.177 168 P CA 0.788 63.843 63.100 -0.075 0.000 0.773 168 P CB 0.454 32.113 31.700 -0.068 0.000 0.878 169 Q N -0.529 119.068 119.800 -0.338 0.000 2.436 169 Q HA 0.038 4.379 4.340 0.001 0.000 0.209 169 Q C 2.118 177.644 176.000 -0.789 0.000 0.965 169 Q CA 0.683 56.017 55.803 -0.783 0.000 0.910 169 Q CB -0.504 27.501 28.738 -1.221 0.000 0.980 169 Q HN 0.288 nan 8.270 nan 0.000 0.491 170 L N -0.632 120.444 121.223 -0.245 0.000 2.044 170 L HA -0.094 4.247 4.340 0.001 0.000 0.205 170 L C 2.123 179.021 176.870 0.046 0.000 1.075 170 L CA 0.921 55.809 54.840 0.081 0.000 0.747 170 L CB -0.313 41.922 42.059 0.294 0.000 0.903 170 L HN 0.224 nan 8.230 nan 0.000 0.435 171 F N 1.566 121.348 119.950 -0.281 0.000 2.102 171 F HA -0.090 4.437 4.527 0.001 0.000 0.298 171 F C -0.491 175.173 175.800 -0.228 0.000 1.105 171 F CA 1.327 58.992 58.000 -0.557 0.000 1.239 171 F CB -1.405 37.305 39.000 -0.483 0.000 0.991 171 F HN 0.003 nan 8.300 nan 0.000 0.474 172 P HA -0.192 nan 4.420 nan 0.000 0.215 172 P C 1.419 178.684 177.300 -0.058 0.000 1.153 172 P CA 1.932 64.935 63.100 -0.162 0.000 0.853 172 P CB -0.337 31.277 31.700 -0.143 0.000 0.788 173 W N -1.263 119.989 121.300 -0.081 0.000 2.358 173 W HA -0.050 4.611 4.660 0.001 0.000 0.303 173 W C 2.316 178.803 176.519 -0.053 0.000 1.208 173 W CA 0.396 57.710 57.345 -0.051 0.000 1.274 173 W CB -1.812 27.643 29.460 -0.008 0.000 1.138 173 W HN -0.060 nan 8.180 nan 0.000 0.515 174 F N 1.527 121.483 119.950 0.010 0.000 2.134 174 F HA -0.182 4.345 4.527 0.001 0.000 0.299 174 F C 2.248 177.949 175.800 -0.165 0.000 1.097 174 F CA 2.067 60.029 58.000 -0.063 0.000 1.264 174 F CB -0.511 38.390 39.000 -0.164 0.000 1.001 174 F HN -0.124 nan 8.300 nan 0.000 0.479 175 E N -0.490 119.456 120.200 -0.422 0.000 2.049 175 E HA -0.242 4.109 4.350 0.001 0.000 0.198 175 E C 2.087 178.546 176.600 -0.235 0.000 1.007 175 E CA 2.218 58.369 56.400 -0.415 0.000 0.809 175 E CB -0.485 28.936 29.700 -0.465 0.000 0.749 175 E HN 0.393 nan 8.360 nan 0.000 0.450 176 T N 0.524 115.000 114.554 -0.131 0.000 2.788 176 T HA -0.210 4.141 4.350 0.001 0.000 0.268 176 T C 1.581 176.225 174.700 -0.092 0.000 1.044 176 T CA 1.380 63.438 62.100 -0.070 0.000 1.139 176 T CB -0.500 68.372 68.868 0.007 0.000 0.867 176 T HN 0.264 nan 8.240 nan 0.000 0.454 177 Y N 2.200 122.351 120.300 -0.249 0.000 2.070 177 Y HA -0.183 4.368 4.550 0.001 0.000 0.280 177 Y C 2.026 177.701 175.900 -0.374 0.000 1.148 177 Y CA 0.976 58.885 58.100 -0.318 0.000 1.125 177 Y CB -0.708 37.553 38.460 -0.333 0.000 0.975 177 Y HN 0.189 nan 8.280 nan 0.000 0.492 178 I N 0.202 120.420 120.570 -0.586 0.000 2.163 178 I HA -0.387 3.784 4.170 0.001 0.000 0.243 178 I C 2.368 178.312 176.117 -0.288 0.000 1.085 178 I CA 1.832 62.820 61.300 -0.519 0.000 1.347 178 I CB -0.787 37.026 38.000 -0.312 0.000 1.044 178 I HN 0.299 nan 8.210 nan 0.000 0.408 179 Q N 0.546 120.235 119.800 -0.185 0.000 2.308 179 Q HA -0.164 4.177 4.340 0.001 0.000 0.209 179 Q C 1.805 177.752 176.000 -0.089 0.000 0.985 179 Q CA 1.394 57.145 55.803 -0.086 0.000 0.881 179 Q CB -0.245 28.456 28.738 -0.062 0.000 0.917 179 Q HN 0.682 nan 8.270 nan 0.000 0.443 180 G N -1.134 107.558 108.800 -0.180 0.000 3.519 180 G HA2 0.160 4.121 3.960 0.001 0.000 0.269 180 G HA3 0.160 4.121 3.960 0.001 0.000 0.269 180 G C 0.898 175.660 174.900 -0.230 0.000 1.028 180 G CA -0.343 44.675 45.100 -0.137 0.000 0.809 180 G HN 0.132 nan 8.290 nan 0.000 0.521 181 L N -0.625 120.339 121.223 -0.431 0.000 2.141 181 L HA 0.148 4.489 4.340 0.001 0.000 0.209 181 L C 1.072 177.437 176.870 -0.842 0.000 1.094 181 L CA 1.011 55.391 54.840 -0.768 0.000 0.763 181 L CB -0.066 41.305 42.059 -1.148 0.000 0.908 181 L HN 0.249 nan 8.230 nan 0.000 0.437 182 F N -1.251 118.619 119.950 -0.135 0.000 2.850 182 F HA 0.170 4.698 4.527 0.001 0.000 0.329 182 F C 1.097 176.855 175.800 -0.069 0.000 1.182 182 F CA -0.689 57.263 58.000 -0.079 0.000 1.270 182 F CB 0.020 39.000 39.000 -0.033 0.000 0.979 182 F HN -0.107 nan 8.300 nan 0.000 0.506 183 S N -0.109 115.610 115.700 0.031 0.000 2.707 183 S HA 0.656 5.127 4.470 0.001 0.000 0.276 183 S C -0.142 174.429 174.600 -0.049 0.000 1.179 183 S CA -0.838 57.378 58.200 0.026 0.000 0.992 183 S CB 1.163 64.395 63.200 0.054 0.000 1.030 183 S HN 0.196 nan 8.310 nan 0.000 0.554 184 L N 1.699 122.895 121.223 -0.045 0.000 2.453 184 L HA 0.290 4.631 4.340 0.001 0.000 0.272 184 L C -1.915 174.761 176.870 -0.323 0.000 1.182 184 L CA -1.644 53.126 54.840 -0.117 0.000 0.858 184 L CB 0.080 42.123 42.059 -0.026 0.000 1.120 184 L HN 0.548 nan 8.230 nan 0.000 0.474 185 P HA 0.228 nan 4.420 nan 0.000 0.231 185 P C -0.515 176.382 177.300 -0.671 0.000 1.811 185 P CA 0.078 62.476 63.100 -1.170 0.000 1.051 185 P CB -0.268 30.878 31.700 -0.922 0.000 1.951 186 I N 4.384 124.749 120.570 -0.342 0.000 2.312 186 I HA 0.242 4.413 4.170 0.001 0.000 0.290 186 I C -1.792 174.382 176.117 0.094 0.000 1.008 186 I CA -2.419 58.830 61.300 -0.085 0.000 1.226 186 I CB 1.873 39.860 38.000 -0.021 0.000 1.371 186 I HN -0.026 nan 8.210 nan 0.000 0.468 187 P HA 0.314 nan 4.420 nan 0.000 0.208 187 P C -0.693 176.664 177.300 0.095 0.000 1.837 187 P CA -0.038 63.176 63.100 0.190 0.000 0.953 187 P CB -0.040 31.753 31.700 0.156 0.000 1.870 188 L N 1.992 123.263 121.223 0.081 0.000 2.331 188 L HA 0.452 4.793 4.340 0.001 0.000 0.275 188 L C -0.921 175.970 176.870 0.036 0.000 1.022 188 L CA -2.443 52.423 54.840 0.043 0.000 0.812 188 L CB 2.004 44.081 42.059 0.030 0.000 1.257 188 L HN -0.154 nan 8.230 nan 0.000 0.435 189 P HA -0.128 nan 4.420 nan 0.000 0.220 189 P C 0.329 177.630 177.300 0.001 0.000 1.148 189 P CA 1.058 64.156 63.100 -0.002 0.000 0.803 189 P CB 0.156 31.851 31.700 -0.009 0.000 0.782 190 N N 0.766 119.472 118.700 0.011 0.000 3.209 190 N HA 0.071 4.812 4.740 0.001 0.000 0.309 190 N C -0.633 174.890 175.510 0.021 0.000 1.384 190 N CA -0.056 53.001 53.050 0.012 0.000 1.173 190 N CB -0.586 37.907 38.487 0.010 0.000 1.460 190 N HN 0.119 nan 8.380 nan 0.000 0.534 191 T N -3.414 111.157 114.554 0.030 0.000 2.901 191 T HA 0.348 4.699 4.350 0.001 0.000 0.293 191 T C 1.523 176.248 174.700 0.043 0.000 1.084 191 T CA -0.800 61.329 62.100 0.047 0.000 1.008 191 T CB 0.852 69.770 68.868 0.083 0.000 1.170 191 T HN -0.034 nan 8.240 nan 0.000 0.509 192 L N -0.163 121.089 121.223 0.047 0.000 2.043 192 L HA -0.029 4.312 4.340 0.001 0.000 0.212 192 L C 2.283 179.177 176.870 0.040 0.000 1.075 192 L CA 1.784 56.643 54.840 0.031 0.000 0.752 192 L CB -0.539 41.539 42.059 0.032 0.000 0.891 192 L HN 0.696 nan 8.230 nan 0.000 0.432 193 F N 0.518 120.424 119.950 -0.072 0.000 2.163 193 F HA -0.045 4.483 4.527 0.001 0.000 0.297 193 F C 2.244 177.998 175.800 -0.077 0.000 1.094 193 F CA 1.407 59.352 58.000 -0.092 0.000 1.290 193 F CB -0.550 38.400 39.000 -0.085 0.000 1.017 193 F HN -0.048 nan 8.300 nan 0.000 0.483 194 G N 0.352 109.138 108.800 -0.023 0.000 2.422 194 G HA2 -0.238 3.723 3.960 0.001 0.000 0.218 194 G HA3 -0.238 3.723 3.960 0.001 0.000 0.218 194 G C 1.749 176.556 174.900 -0.155 0.000 1.146 194 G CA 0.783 45.810 45.100 -0.121 0.000 0.769 194 G HN 0.312 nan 8.290 nan 0.000 0.547 195 K N 0.483 120.824 120.400 -0.098 0.000 1.991 195 K HA -0.064 4.257 4.320 0.001 0.000 0.212 195 K C 2.957 179.478 176.600 -0.131 0.000 1.049 195 K CA 1.401 57.636 56.287 -0.088 0.000 0.932 195 K CB -0.350 32.123 32.500 -0.046 0.000 0.717 195 K HN 0.208 nan 8.250 nan 0.000 0.441 196 S N 1.350 116.949 115.700 -0.169 0.000 2.372 196 S HA -0.230 4.240 4.470 0.001 0.000 0.227 196 S C 1.963 176.440 174.600 -0.206 0.000 1.044 196 S CA 1.417 59.505 58.200 -0.187 0.000 1.050 196 S CB -0.261 62.765 63.200 -0.291 0.000 0.901 196 S HN 0.315 nan 8.310 nan 0.000 0.447 197 Q N 0.253 119.826 119.800 -0.378 0.000 2.096 197 Q HA -0.133 4.208 4.340 0.001 0.000 0.204 197 Q C 2.455 178.309 176.000 -0.243 0.000 0.982 197 Q CA 1.239 56.824 55.803 -0.364 0.000 0.850 197 Q CB -0.217 28.241 28.738 -0.465 0.000 0.901 197 Q HN 0.512 nan 8.270 nan 0.000 0.422 198 R N -0.032 120.341 120.500 -0.213 0.000 2.090 198 R HA -0.005 4.336 4.340 0.001 0.000 0.228 198 R C 2.301 178.444 176.300 -0.261 0.000 1.110 198 R CA 0.875 56.854 56.100 -0.203 0.000 0.973 198 R CB -0.293 29.916 30.300 -0.151 0.000 0.869 198 R HN 0.175 nan 8.270 nan 0.000 0.440 199 A N 1.600 124.294 122.820 -0.211 0.000 1.902 199 A HA -0.211 4.109 4.320 0.001 0.000 0.217 199 A C 2.165 179.570 177.584 -0.299 0.000 1.181 199 A CA 1.424 53.316 52.037 -0.242 0.000 0.623 199 A CB -0.496 18.476 19.000 -0.047 0.000 0.818 199 A HN 0.238 nan 8.150 nan 0.000 0.443 200 R N -0.331 120.039 120.500 -0.217 0.000 2.083 200 R HA -0.132 4.209 4.340 0.001 0.000 0.237 200 R C 2.294 178.406 176.300 -0.315 0.000 1.137 200 R CA 1.620 57.535 56.100 -0.308 0.000 0.951 200 R CB -0.462 29.734 30.300 -0.172 0.000 0.851 200 R HN 0.423 nan 8.270 nan 0.000 0.434 201 A N 0.975 123.624 122.820 -0.284 0.000 1.933 201 A HA -0.129 4.192 4.320 0.001 0.000 0.218 201 A C 2.213 179.587 177.584 -0.349 0.000 1.175 201 A CA 1.265 53.142 52.037 -0.266 0.000 0.628 201 A CB -0.493 18.374 19.000 -0.221 0.000 0.814 201 A HN 0.363 nan 8.150 nan 0.000 0.444 202 L N -0.883 120.020 121.223 -0.534 0.000 2.027 202 L HA -0.163 4.178 4.340 0.001 0.000 0.206 202 L C 2.558 178.977 176.870 -0.751 0.000 1.074 202 L CA 1.096 55.407 54.840 -0.882 0.000 0.745 202 L CB -0.538 40.525 42.059 -1.660 0.000 0.898 202 L HN 0.356 nan 8.230 nan 0.000 0.433 203 L N -0.978 119.933 121.223 -0.519 0.000 2.079 203 L HA -0.256 4.084 4.340 0.001 0.000 0.210 203 L C 2.484 179.270 176.870 -0.139 0.000 1.081 203 L CA 0.855 55.590 54.840 -0.174 0.000 0.752 203 L CB -0.418 41.556 42.059 -0.142 0.000 0.896 203 L HN 0.221 nan 8.230 nan 0.000 0.433 204 L N -0.371 120.733 121.223 -0.198 0.000 2.056 204 L HA -0.107 4.234 4.340 0.001 0.000 0.207 204 L C 2.702 179.507 176.870 -0.107 0.000 1.078 204 L CA 2.002 56.756 54.840 -0.143 0.000 0.749 204 L CB -1.134 40.832 42.059 -0.155 0.000 0.901 204 L HN 0.170 nan 8.230 nan 0.000 0.433 205 A N -1.213 121.527 122.820 -0.134 0.000 1.933 205 A HA -0.214 4.107 4.320 0.001 0.000 0.218 205 A C 2.275 179.836 177.584 -0.038 0.000 1.175 205 A CA 1.653 53.635 52.037 -0.091 0.000 0.628 205 A CB -0.433 18.498 19.000 -0.115 0.000 0.814 205 A HN 0.388 nan 8.150 nan 0.000 0.444 206 E N 0.099 120.290 120.200 -0.016 0.000 2.072 206 E HA -0.052 4.299 4.350 0.001 0.000 0.190 206 E C 1.839 178.468 176.600 0.048 0.000 0.982 206 E CA 0.863 57.310 56.400 0.077 0.000 0.803 206 E CB -0.370 29.466 29.700 0.227 0.000 0.755 206 E HN 0.581 nan 8.360 nan 0.000 0.453 207 L N 0.365 121.598 121.223 0.016 0.000 2.131 207 L HA -0.158 4.182 4.340 0.001 0.000 0.210 207 L C 2.518 179.383 176.870 -0.008 0.000 1.092 207 L CA 1.503 56.344 54.840 0.003 0.000 0.759 207 L CB -0.307 41.740 42.059 -0.021 0.000 0.903 207 L HN 0.282 nan 8.230 nan 0.000 0.435 208 E N 0.553 120.743 120.200 -0.017 0.000 2.031 208 E HA -0.258 4.093 4.350 0.001 0.000 0.193 208 E C 2.133 178.729 176.600 -0.006 0.000 0.994 208 E CA 1.346 57.736 56.400 -0.017 0.000 0.800 208 E CB 0.120 29.805 29.700 -0.025 0.000 0.752 208 E HN 0.331 nan 8.360 nan 0.000 0.447 209 K N 0.194 120.596 120.400 0.003 0.000 2.074 209 K HA -0.185 4.136 4.320 0.001 0.000 0.209 209 K C 2.179 178.785 176.600 0.009 0.000 1.048 209 K CA 1.811 58.104 56.287 0.010 0.000 0.926 209 K CB -0.258 32.256 32.500 0.023 0.000 0.713 209 K HN 0.249 nan 8.250 nan 0.000 0.444 210 I N 0.652 121.229 120.570 0.012 0.000 2.226 210 I HA -0.280 3.891 4.170 0.001 0.000 0.245 210 I C 2.168 178.284 176.117 -0.002 0.000 1.100 210 I CA 1.264 62.569 61.300 0.008 0.000 1.374 210 I CB -0.206 37.801 38.000 0.012 0.000 1.057 210 I HN 0.118 nan 8.210 nan 0.000 0.413 211 I N 0.313 120.880 120.570 -0.006 0.000 2.233 211 I HA -0.222 3.949 4.170 0.001 0.000 0.243 211 I C 2.449 178.560 176.117 -0.010 0.000 1.093 211 I CA 1.122 62.415 61.300 -0.011 0.000 1.380 211 I CB -0.382 37.608 38.000 -0.016 0.000 1.067 211 I HN 0.083 nan 8.210 nan 0.000 0.413 212 K N 1.118 121.513 120.400 -0.008 0.000 2.103 212 K HA -0.134 4.187 4.320 0.001 0.000 0.207 212 K C 2.180 178.777 176.600 -0.006 0.000 1.048 212 K CA 1.602 57.884 56.287 -0.008 0.000 0.930 212 K CB -0.436 32.060 32.500 -0.007 0.000 0.716 212 K HN 0.340 nan 8.250 nan 0.000 0.444 213 A N 1.574 124.392 122.820 -0.004 0.000 1.930 213 A HA -0.160 4.160 4.320 0.001 0.000 0.217 213 A C 2.217 179.798 177.584 -0.005 0.000 1.175 213 A CA 1.504 53.539 52.037 -0.003 0.000 0.627 213 A CB -0.312 18.688 19.000 -0.000 0.000 0.815 213 A HN 0.196 nan 8.150 nan 0.000 0.443 214 R N -0.057 120.439 120.500 -0.007 0.000 2.119 214 R HA -0.016 4.324 4.340 0.001 0.000 0.222 214 R C 2.070 178.365 176.300 -0.009 0.000 1.088 214 R CA 1.574 57.669 56.100 -0.008 0.000 0.984 214 R CB -0.516 29.778 30.300 -0.010 0.000 0.884 214 R HN 0.636 nan 8.270 nan 0.000 0.447 215 Q N -0.341 119.454 119.800 -0.009 0.000 2.234 215 Q HA -0.121 4.220 4.340 0.001 0.000 0.206 215 Q C 0.949 176.944 176.000 -0.008 0.000 0.980 215 Q CA 0.985 56.782 55.803 -0.009 0.000 0.869 215 Q CB 0.123 28.855 28.738 -0.010 0.000 0.912 215 Q HN 0.285 nan 8.270 nan 0.000 0.436 216 Q N 0.260 120.056 119.800 -0.007 0.000 2.253 216 Q HA 0.111 4.452 4.340 0.001 0.000 0.210 216 Q C -0.304 175.692 176.000 -0.006 0.000 0.907 216 Q CA 0.475 56.274 55.803 -0.006 0.000 0.948 216 Q CB 0.412 29.147 28.738 -0.005 0.000 1.033 216 Q HN 0.415 nan 8.270 nan 0.000 0.471 217 Q N -0.062 119.734 119.800 -0.007 0.000 2.451 217 Q HA 0.430 4.771 4.340 0.001 0.000 0.281 217 Q C -2.477 173.519 176.000 -0.007 0.000 1.099 217 Q CA -2.206 53.593 55.803 -0.007 0.000 0.806 217 Q CB 1.535 30.269 28.738 -0.007 0.000 1.419 217 Q HN -0.074 nan 8.270 nan 0.000 0.427 218 P HA 0.040 nan 4.420 nan 0.000 0.257 218 P C -2.372 174.923 177.300 -0.008 0.000 1.189 218 P CA -0.480 62.616 63.100 -0.007 0.000 0.780 218 P CB -0.506 31.190 31.700 -0.007 0.000 0.772 219 P HA 0.062 nan 4.420 nan 0.000 0.264 219 P C -0.422 176.871 177.300 -0.011 0.000 1.183 219 P CA 0.349 63.443 63.100 -0.010 0.000 0.763 219 P CB 0.461 32.155 31.700 -0.011 0.000 0.807 220 S N 0.894 116.588 115.700 -0.011 0.000 2.569 220 S HA 0.552 5.023 4.470 0.001 0.000 0.280 220 S C -0.401 174.192 174.600 -0.013 0.000 1.111 220 S CA -0.806 57.387 58.200 -0.011 0.000 0.887 220 S CB 1.933 65.128 63.200 -0.008 0.000 1.095 220 S HN 0.165 nan 8.310 nan 0.000 0.476 221 E N 0.629 120.820 120.200 -0.015 0.000 3.167 221 E HA 0.263 4.614 4.350 0.001 0.000 0.210 221 E C 0.263 176.854 176.600 -0.015 0.000 1.004 221 E CA -0.195 56.193 56.400 -0.020 0.000 1.256 221 E CB 0.348 30.031 29.700 -0.029 0.000 1.193 221 E HN 0.684 nan 8.360 nan 0.000 0.448 222 E N 0.557 120.758 120.200 0.002 0.000 2.318 222 E HA -0.029 4.322 4.350 0.001 0.000 0.193 222 E C 0.319 176.974 176.600 0.091 0.000 0.998 222 E CA 0.684 57.099 56.400 0.025 0.000 0.859 222 E CB 0.392 30.106 29.700 0.023 0.000 0.812 222 E HN 0.361 nan 8.360 nan 0.000 0.492 223 D N -1.407 119.036 120.400 0.073 0.000 2.758 223 D HA 0.299 4.940 4.640 0.001 0.000 0.279 223 D C 0.651 176.974 176.300 0.039 0.000 1.111 223 D CA -0.404 53.658 54.000 0.104 0.000 1.109 223 D CB 0.385 41.207 40.800 0.037 0.000 1.428 223 D HN -0.172 nan 8.370 nan 0.000 0.586 224 A N -0.483 122.353 122.820 0.028 0.000 1.968 224 A HA -0.030 4.291 4.320 0.001 0.000 0.217 224 A C 1.996 179.535 177.584 -0.076 0.000 1.169 224 A CA 1.416 53.410 52.037 -0.071 0.000 0.638 224 A CB -0.786 18.115 19.000 -0.166 0.000 0.812 224 A HN 0.449 nan 8.150 nan 0.000 0.446 225 L N -0.115 121.086 121.223 -0.037 0.000 2.156 225 L HA 0.088 4.429 4.340 0.001 0.000 0.208 225 L C 2.228 179.077 176.870 -0.034 0.000 1.095 225 L CA 2.158 56.974 54.840 -0.039 0.000 0.770 225 L CB -0.887 41.158 42.059 -0.023 0.000 0.914 225 L HN 0.247 nan 8.230 nan 0.000 0.439 226 G N -0.363 108.421 108.800 -0.026 0.000 2.394 226 G HA2 -0.170 3.790 3.960 0.001 0.000 0.215 226 G HA3 -0.170 3.790 3.960 0.001 0.000 0.215 226 G C 1.635 176.517 174.900 -0.031 0.000 1.165 226 G CA 0.858 45.944 45.100 -0.023 0.000 0.784 226 G HN 0.432 nan 8.290 nan 0.000 0.535 227 I N 0.569 121.115 120.570 -0.040 0.000 2.208 227 I HA -0.165 4.006 4.170 0.001 0.000 0.245 227 I C 2.663 178.751 176.117 -0.049 0.000 1.097 227 I CA 0.771 62.040 61.300 -0.051 0.000 1.363 227 I CB -0.106 37.849 38.000 -0.075 0.000 1.051 227 I HN 0.133 nan 8.210 nan 0.000 0.413 228 L N -0.098 121.092 121.223 -0.056 0.000 2.093 228 L HA -0.210 4.131 4.340 0.001 0.000 0.208 228 L C 2.512 179.361 176.870 -0.034 0.000 1.085 228 L CA 1.311 56.121 54.840 -0.049 0.000 0.755 228 L CB -0.513 41.510 42.059 -0.060 0.000 0.904 228 L HN 0.301 nan 8.230 nan 0.000 0.435 229 L N -0.221 120.983 121.223 -0.031 0.000 2.093 229 L HA -0.153 4.188 4.340 0.001 0.000 0.208 229 L C 2.687 179.545 176.870 -0.020 0.000 1.085 229 L CA 1.143 55.968 54.840 -0.024 0.000 0.755 229 L CB -0.551 41.495 42.059 -0.021 0.000 0.904 229 L HN 0.217 nan 8.230 nan 0.000 0.435 230 A N -0.148 122.659 122.820 -0.021 0.000 2.167 230 A HA 0.275 4.596 4.320 0.001 0.000 0.214 230 A C 1.315 178.889 177.584 -0.016 0.000 1.151 230 A CA 0.545 52.571 52.037 -0.018 0.000 0.735 230 A CB -0.452 18.537 19.000 -0.020 0.000 0.802 230 A HN 0.288 nan 8.150 nan 0.000 0.467 231 A N 0.497 123.306 122.820 -0.018 0.000 2.445 231 A HA 0.554 4.875 4.320 0.001 0.000 0.242 231 A C 0.238 177.816 177.584 -0.009 0.000 1.075 231 A CA -0.165 51.864 52.037 -0.014 0.000 0.777 231 A CB 0.236 19.226 19.000 -0.016 0.000 1.013 231 A HN 0.317 nan 8.150 nan 0.000 0.493 232 R N 1.261 121.758 120.500 -0.005 0.000 2.621 232 R HA 0.332 4.673 4.340 0.001 0.000 0.292 232 R C -0.855 175.445 176.300 0.000 0.000 0.969 232 R CA -0.710 55.389 56.100 -0.003 0.000 0.887 232 R CB 1.544 31.843 30.300 -0.002 0.000 1.180 232 R HN 0.954 nan 8.270 nan 0.000 0.450 233 D N 0.149 120.550 120.400 0.001 0.000 2.380 233 D HA 0.000 4.641 4.640 0.001 0.000 0.254 233 D C 0.221 176.524 176.300 0.006 0.000 1.288 233 D CA -0.204 53.799 54.000 0.004 0.000 1.008 233 D CB 0.618 41.422 40.800 0.006 0.000 1.099 233 D HN 0.238 nan 8.370 nan 0.000 0.537 234 D N -1.401 119.004 120.400 0.008 0.000 2.264 234 D HA -0.087 4.554 4.640 0.001 0.000 0.208 234 D C 0.735 177.039 176.300 0.008 0.000 0.966 234 D CA 0.753 54.758 54.000 0.009 0.000 0.864 234 D CB -0.415 40.392 40.800 0.011 0.000 0.933 234 D HN 0.467 nan 8.370 nan 0.000 0.499 235 N N 0.473 119.177 118.700 0.007 0.000 2.370 235 N HA -0.040 4.701 4.740 0.001 0.000 0.198 235 N C -0.215 175.297 175.510 0.004 0.000 1.156 235 N CA -0.138 52.916 53.050 0.006 0.000 0.839 235 N CB 0.086 38.577 38.487 0.006 0.000 0.989 235 N HN -0.043 nan 8.380 nan 0.000 0.468 236 N N 1.169 119.871 118.700 0.003 0.000 2.754 236 N HA -0.164 4.577 4.740 0.001 0.000 0.248 236 N C -1.375 174.135 175.510 0.000 0.000 1.093 236 N CA 0.682 53.733 53.050 0.002 0.000 0.699 236 N CB -0.579 37.908 38.487 0.002 0.000 1.016 236 N HN 0.191 nan 8.380 nan 0.000 0.552 237 Q N -0.298 119.502 119.800 0.001 0.000 2.306 237 Q HA 0.566 4.907 4.340 0.001 0.000 0.265 237 Q C -2.339 173.659 176.000 -0.002 0.000 1.022 237 Q CA -1.846 53.957 55.803 -0.001 0.000 0.853 237 Q CB 1.042 29.780 28.738 0.000 0.000 1.327 237 Q HN 0.165 nan 8.270 nan 0.000 0.449 238 P HA 0.065 nan 4.420 nan 0.000 0.269 238 P C -0.317 176.979 177.300 -0.006 0.000 1.209 238 P CA -0.147 62.949 63.100 -0.007 0.000 0.776 238 P CB 0.429 32.125 31.700 -0.008 0.000 0.876 239 L N 1.343 122.561 121.223 -0.008 0.000 2.525 239 L HA 0.041 4.382 4.340 0.001 0.000 0.278 239 L C 1.357 178.221 176.870 -0.010 0.000 1.218 239 L CA 0.109 54.944 54.840 -0.008 0.000 0.878 239 L CB -0.341 41.711 42.059 -0.012 0.000 1.127 239 L HN 0.475 nan 8.230 nan 0.000 0.492 240 S N 2.548 118.243 115.700 -0.009 0.000 2.608 240 S HA 0.122 4.593 4.470 0.001 0.000 0.261 240 S C 0.799 175.390 174.600 -0.015 0.000 1.314 240 S CA -0.635 57.559 58.200 -0.011 0.000 0.992 240 S CB 0.968 64.163 63.200 -0.009 0.000 0.935 240 S HN 0.575 nan 8.310 nan 0.000 0.564 241 L N 1.433 122.646 121.223 -0.017 0.000 2.027 241 L HA 0.188 4.529 4.340 0.001 0.000 0.206 241 L C -1.073 175.781 176.870 -0.025 0.000 1.074 241 L CA 1.447 56.274 54.840 -0.021 0.000 0.745 241 L CB -1.617 40.429 42.059 -0.021 0.000 0.898 241 L HN 0.537 nan 8.230 nan 0.000 0.433 242 P HA -0.226 nan 4.420 nan 0.000 0.216 242 P C 1.391 178.675 177.300 -0.026 0.000 1.153 242 P CA 1.677 64.760 63.100 -0.029 0.000 0.858 242 P CB 0.036 31.721 31.700 -0.025 0.000 0.789 243 E N -0.188 120.001 120.200 -0.018 0.000 2.051 243 E HA -0.170 4.181 4.350 0.001 0.000 0.192 243 E C 1.965 178.553 176.600 -0.020 0.000 0.991 243 E CA 1.018 57.410 56.400 -0.014 0.000 0.799 243 E CB -0.763 28.933 29.700 -0.007 0.000 0.748 243 E HN 0.073 nan 8.360 nan 0.000 0.449 244 L N 0.462 121.670 121.223 -0.024 0.000 2.021 244 L HA -0.277 4.064 4.340 0.001 0.000 0.215 244 L C 2.637 179.484 176.870 -0.038 0.000 1.074 244 L CA 1.857 56.678 54.840 -0.032 0.000 0.760 244 L CB -0.436 41.604 42.059 -0.031 0.000 0.889 244 L HN 0.124 nan 8.230 nan 0.000 0.433 245 K N -0.312 120.066 120.400 -0.037 0.000 2.002 245 K HA -0.160 4.161 4.320 0.001 0.000 0.209 245 K C 1.836 178.410 176.600 -0.044 0.000 1.048 245 K CA 1.584 57.845 56.287 -0.044 0.000 0.930 245 K CB -0.219 32.250 32.500 -0.051 0.000 0.714 245 K HN 0.208 nan 8.250 nan 0.000 0.438 246 D N 0.590 120.969 120.400 -0.036 0.000 2.123 246 D HA -0.178 4.463 4.640 0.001 0.000 0.196 246 D C 2.055 178.353 176.300 -0.004 0.000 0.992 246 D CA 1.241 55.228 54.000 -0.022 0.000 0.833 246 D CB -0.129 40.661 40.800 -0.015 0.000 0.954 246 D HN 0.075 nan 8.370 nan 0.000 0.455 247 Q N 0.145 119.936 119.800 -0.015 0.000 2.124 247 Q HA -0.011 4.329 4.340 0.001 0.000 0.202 247 Q C 2.214 178.181 176.000 -0.055 0.000 0.977 247 Q CA 0.762 56.553 55.803 -0.021 0.000 0.850 247 Q CB -0.176 28.543 28.738 -0.032 0.000 0.901 247 Q HN 0.371 nan 8.270 nan 0.000 0.429 248 I N -0.650 119.880 120.570 -0.068 0.000 2.286 248 I HA -0.227 3.944 4.170 0.001 0.000 0.245 248 I C 1.987 178.080 176.117 -0.041 0.000 1.104 248 I CA 0.664 61.903 61.300 -0.103 0.000 1.397 248 I CB -0.255 37.693 38.000 -0.086 0.000 1.072 248 I HN 0.228 nan 8.210 nan 0.000 0.417 249 L N 0.391 121.621 121.223 0.012 0.000 2.042 249 L HA -0.251 4.090 4.340 0.001 0.000 0.210 249 L C 2.640 179.660 176.870 0.249 0.000 1.076 249 L CA 1.328 56.236 54.840 0.112 0.000 0.749 249 L CB -0.326 41.744 42.059 0.019 0.000 0.893 249 L HN 0.296 nan 8.230 nan 0.000 0.432 250 L N -0.200 121.125 121.223 0.171 0.000 2.017 250 L HA -0.240 4.101 4.340 0.001 0.000 0.208 250 L C 2.362 179.331 176.870 0.166 0.000 1.073 250 L CA 1.677 56.655 54.840 0.230 0.000 0.745 250 L CB -0.311 41.830 42.059 0.136 0.000 0.894 250 L HN 0.107 nan 8.230 nan 0.000 0.432 251 L N -1.141 120.087 121.223 0.008 0.000 2.042 251 L HA -0.265 4.076 4.340 0.001 0.000 0.210 251 L C 2.499 179.382 176.870 0.022 0.000 1.076 251 L CA 1.453 56.215 54.840 -0.129 0.000 0.749 251 L CB -0.614 41.115 42.059 -0.550 0.000 0.893 251 L HN 0.344 nan 8.230 nan 0.000 0.432 252 L N -1.335 119.949 121.223 0.102 0.000 1.961 252 L HA -0.248 4.093 4.340 0.001 0.000 0.210 252 L C 2.572 179.775 176.870 0.554 0.000 1.072 252 L CA 1.330 56.278 54.840 0.180 0.000 0.749 252 L CB -0.772 41.244 42.059 -0.071 0.000 0.889 252 L HN 0.169 nan 8.230 nan 0.000 0.432 253 F N 1.446 121.781 119.950 0.641 0.000 2.045 253 F HA -0.360 4.168 4.527 0.001 0.000 0.297 253 F C 2.395 178.434 175.800 0.399 0.000 1.114 253 F CA 1.605 59.940 58.000 0.558 0.000 1.207 253 F CB -0.850 38.345 39.000 0.326 0.000 0.964 253 F HN 0.028 nan 8.300 nan 0.000 0.486 254 A N -0.053 122.600 122.820 -0.277 0.000 2.024 254 A HA -0.009 4.312 4.320 0.001 0.000 0.220 254 A C 2.388 179.929 177.584 -0.072 0.000 1.164 254 A CA 1.653 53.446 52.037 -0.407 0.000 0.643 254 A CB -1.733 17.150 19.000 -0.195 0.000 0.806 254 A HN 0.633 nan 8.150 nan 0.000 0.451 255 G N -2.489 106.384 108.800 0.121 0.000 2.744 255 G HA2 0.087 4.048 3.960 0.001 0.000 0.211 255 G HA3 0.087 4.048 3.960 0.001 0.000 0.211 255 G C 1.240 176.295 174.900 0.260 0.000 1.146 255 G CA 0.852 46.081 45.100 0.215 0.000 0.787 255 G HN 0.641 nan 8.290 nan 0.000 0.534 256 H N 1.032 120.253 119.070 0.252 0.000 2.393 256 H HA 0.039 4.596 4.556 0.001 0.000 0.300 256 H C 2.455 177.922 175.328 0.232 0.000 1.043 256 H CA 2.085 58.335 56.048 0.337 0.000 1.205 256 H CB -0.109 30.023 29.762 0.618 0.000 1.411 256 H HN 0.289 nan 8.280 nan 0.000 0.560 257 E N -0.869 119.437 120.200 0.176 0.000 2.058 257 E HA -0.189 4.162 4.350 0.001 0.000 0.194 257 E C 2.249 178.878 176.600 0.048 0.000 0.997 257 E CA 2.106 58.561 56.400 0.091 0.000 0.801 257 E CB -0.081 29.750 29.700 0.219 0.000 0.746 257 E HN 0.745 nan 8.360 nan 0.000 0.450 258 T N 0.390 114.980 114.554 0.061 0.000 2.580 258 T HA -0.248 4.103 4.350 0.001 0.000 0.265 258 T C 1.860 176.560 174.700 -0.000 0.000 1.063 258 T CA 1.356 63.475 62.100 0.031 0.000 1.170 258 T CB -0.602 68.291 68.868 0.041 0.000 0.863 258 T HN 0.079 nan 8.240 nan 0.000 0.418 259 L N 1.641 122.868 121.223 0.008 0.000 2.141 259 L HA 0.031 4.372 4.340 0.001 0.000 0.209 259 L C 2.676 179.448 176.870 -0.163 0.000 1.094 259 L CA 1.870 56.686 54.840 -0.041 0.000 0.763 259 L CB -1.342 40.725 42.059 0.014 0.000 0.908 259 L HN 0.385 nan 8.230 nan 0.000 0.437 260 T N -1.569 112.853 114.554 -0.221 0.000 2.708 260 T HA -0.205 4.146 4.350 0.001 0.000 0.266 260 T C 2.082 176.568 174.700 -0.357 0.000 1.037 260 T CA 1.629 63.486 62.100 -0.405 0.000 1.146 260 T CB -0.382 68.158 68.868 -0.547 0.000 0.865 260 T HN 0.473 nan 8.240 nan 0.000 0.435 261 S N 1.036 116.667 115.700 -0.116 0.000 2.359 261 S HA -0.138 4.333 4.470 0.001 0.000 0.224 261 S C 2.411 177.007 174.600 -0.006 0.000 1.035 261 S CA 1.542 59.784 58.200 0.070 0.000 1.018 261 S CB -0.641 62.623 63.200 0.107 0.000 0.876 261 S HN 0.514 nan 8.310 nan 0.000 0.448 262 A N 1.454 124.243 122.820 -0.052 0.000 1.883 262 A HA -0.029 4.292 4.320 0.001 0.000 0.217 262 A C 2.278 179.821 177.584 -0.067 0.000 1.186 262 A CA 1.788 53.797 52.037 -0.047 0.000 0.624 262 A CB -0.955 18.015 19.000 -0.051 0.000 0.822 262 A HN 0.597 nan 8.150 nan 0.000 0.444 263 L N 0.052 121.155 121.223 -0.199 0.000 2.056 263 L HA -0.178 4.162 4.340 0.001 0.000 0.207 263 L C 3.044 179.767 176.870 -0.246 0.000 1.078 263 L CA 1.554 56.204 54.840 -0.316 0.000 0.749 263 L CB -0.642 41.000 42.059 -0.696 0.000 0.901 263 L HN 0.623 nan 8.230 nan 0.000 0.433 264 S N -0.376 115.170 115.700 -0.257 0.000 2.359 264 S HA -0.244 4.226 4.470 0.001 0.000 0.223 264 S C 2.179 176.766 174.600 -0.022 0.000 1.039 264 S CA 1.881 59.995 58.200 -0.143 0.000 1.042 264 S CB -0.587 62.660 63.200 0.079 0.000 0.915 264 S HN 0.383 nan 8.310 nan 0.000 0.439 265 S N 1.281 116.994 115.700 0.022 0.000 2.365 265 S HA -0.092 4.379 4.470 0.001 0.000 0.225 265 S C 1.418 176.032 174.600 0.024 0.000 1.039 265 S CA 1.597 59.812 58.200 0.025 0.000 1.033 265 S CB -0.876 62.342 63.200 0.030 0.000 0.887 265 S HN 0.650 nan 8.310 nan 0.000 0.447 266 F N 1.661 121.573 119.950 -0.063 0.000 2.095 266 F HA -0.221 4.307 4.527 0.002 0.000 0.298 266 F C 2.475 178.304 175.800 0.049 0.000 1.104 266 F CA 1.199 59.193 58.000 -0.012 0.000 1.232 266 F CB -0.699 38.321 39.000 0.032 0.000 0.987 266 F HN 0.196 nan 8.300 nan 0.000 0.475 267 C N 0.491 119.837 119.300 0.076 0.000 2.422 267 C HA -0.135 4.326 4.460 0.001 0.000 0.279 267 C C 2.821 177.921 174.990 0.183 0.000 1.305 267 C CA 1.084 60.053 59.018 -0.082 0.000 1.757 267 C CB -1.426 26.000 27.740 -0.522 0.000 1.962 267 C HN 0.669 nan 8.230 nan 0.000 0.499 268 L N -0.013 121.265 121.223 0.092 0.000 1.988 268 L HA -0.114 4.227 4.340 0.001 0.000 0.207 268 L C 2.355 179.254 176.870 0.048 0.000 1.071 268 L CA 1.756 56.662 54.840 0.110 0.000 0.744 268 L CB -0.320 41.765 42.059 0.044 0.000 0.893 268 L HN 0.310 nan 8.230 nan 0.000 0.433 269 L N -0.601 120.536 121.223 -0.143 0.000 2.156 269 L HA -0.168 4.172 4.340 0.001 0.000 0.208 269 L C 2.260 178.989 176.870 -0.235 0.000 1.095 269 L CA 0.614 55.238 54.840 -0.360 0.000 0.770 269 L CB -0.175 41.284 42.059 -1.000 0.000 0.914 269 L HN 0.324 nan 8.230 nan 0.000 0.439 270 L N -0.984 120.115 121.223 -0.205 0.000 2.509 270 L HA 0.074 4.415 4.340 0.001 0.000 0.222 270 L C 2.390 179.170 176.870 -0.151 0.000 1.123 270 L CA 0.581 55.344 54.840 -0.127 0.000 0.856 270 L CB -0.739 41.148 42.059 -0.286 0.000 0.985 270 L HN 0.267 nan 8.230 nan 0.000 0.456 271 G N 0.944 109.816 108.800 0.121 0.000 2.464 271 G HA2 -0.269 3.692 3.960 0.001 0.000 0.214 271 G HA3 -0.269 3.692 3.960 0.001 0.000 0.214 271 G C 1.253 176.097 174.900 -0.093 0.000 1.218 271 G CA 0.464 45.554 45.100 -0.016 0.000 0.794 271 G HN 0.573 nan 8.290 nan 0.000 0.542 272 Q N -0.191 119.618 119.800 0.015 0.000 2.491 272 Q HA 0.063 4.404 4.340 0.001 0.000 0.214 272 Q C -0.350 175.545 176.000 -0.174 0.000 0.970 272 Q CA 0.534 56.306 55.803 -0.052 0.000 0.960 272 Q CB -0.170 28.553 28.738 -0.025 0.000 0.996 272 Q HN 0.614 nan 8.270 nan 0.000 0.524 273 H N 0.127 119.153 119.070 -0.073 0.000 2.562 273 H HA 0.119 4.676 4.556 0.002 0.000 0.230 273 H C 0.266 175.565 175.328 -0.049 0.000 1.415 273 H CA 0.022 56.064 56.048 -0.009 0.000 1.454 273 H CB 1.130 30.952 29.762 0.099 0.000 1.716 273 H HN 0.333 nan 8.280 nan 0.000 0.538 274 S N -0.080 115.604 115.700 -0.026 0.000 2.474 274 S HA -0.186 4.285 4.470 0.001 0.000 0.235 274 S C 1.723 176.322 174.600 -0.001 0.000 0.997 274 S CA 1.217 59.370 58.200 -0.078 0.000 0.949 274 S CB 0.152 63.285 63.200 -0.111 0.000 0.766 274 S HN 0.625 nan 8.310 nan 0.000 0.517 275 D N 2.820 123.253 120.400 0.055 0.000 2.097 275 D HA -0.133 4.508 4.640 0.001 0.000 0.197 275 D C 1.996 178.369 176.300 0.122 0.000 0.984 275 D CA 1.122 55.168 54.000 0.078 0.000 0.826 275 D CB -0.782 40.073 40.800 0.091 0.000 0.973 275 D HN 0.549 nan 8.370 nan 0.000 0.460 276 I N 0.253 120.935 120.570 0.188 0.000 2.286 276 I HA -0.174 3.997 4.170 0.001 0.000 0.248 276 I C 2.907 179.167 176.117 0.238 0.000 1.115 276 I CA 0.701 62.157 61.300 0.259 0.000 1.392 276 I CB -0.390 37.784 38.000 0.289 0.000 1.065 276 I HN -0.022 nan 8.210 nan 0.000 0.418 277 R N 1.124 121.702 120.500 0.130 0.000 2.075 277 R HA -0.217 4.124 4.340 0.001 0.000 0.232 277 R C 2.214 178.581 176.300 0.111 0.000 1.126 277 R CA 1.683 57.837 56.100 0.089 0.000 0.963 277 R CB -0.042 30.199 30.300 -0.098 0.000 0.858 277 R HN 0.186 nan 8.270 nan 0.000 0.435 278 E N 0.432 120.677 120.200 0.075 0.000 2.106 278 E HA -0.118 4.233 4.350 0.001 0.000 0.192 278 E C 1.954 178.606 176.600 0.086 0.000 0.984 278 E CA 1.176 57.616 56.400 0.067 0.000 0.806 278 E CB 0.053 29.773 29.700 0.034 0.000 0.750 278 E HN 0.180 nan 8.360 nan 0.000 0.458 279 R N -0.172 120.396 120.500 0.113 0.000 2.096 279 R HA -0.070 4.271 4.340 0.001 0.000 0.235 279 R C 2.271 178.696 176.300 0.208 0.000 1.127 279 R CA 1.348 57.497 56.100 0.083 0.000 0.968 279 R CB -0.633 29.696 30.300 0.047 0.000 0.861 279 R HN 0.195 nan 8.270 nan 0.000 0.440 280 V N 0.766 120.879 119.914 0.332 0.000 2.548 280 V HA -0.157 3.964 4.120 0.001 0.000 0.249 280 V C 2.531 178.752 176.094 0.212 0.000 1.055 280 V CA 1.420 63.917 62.300 0.329 0.000 1.065 280 V CB -0.536 31.478 31.823 0.318 0.000 0.681 280 V HN 0.271 nan 8.190 nan 0.000 0.462 281 R N -0.292 120.308 120.500 0.166 0.000 2.062 281 R HA -0.150 4.191 4.340 0.001 0.000 0.229 281 R C 2.465 178.818 176.300 0.089 0.000 1.128 281 R CA 1.462 57.634 56.100 0.121 0.000 0.960 281 R CB -0.265 30.096 30.300 0.101 0.000 0.855 281 R HN 0.518 nan 8.270 nan 0.000 0.432 282 Q N 0.694 120.537 119.800 0.073 0.000 2.077 282 Q HA -0.284 4.057 4.340 0.001 0.000 0.206 282 Q C 1.899 177.928 176.000 0.048 0.000 0.989 282 Q CA 2.274 58.103 55.803 0.043 0.000 0.853 282 Q CB -0.104 28.642 28.738 0.014 0.000 0.907 282 Q HN 0.456 nan 8.270 nan 0.000 0.418 283 E N 0.041 120.285 120.200 0.073 0.000 2.097 283 E HA -0.266 4.085 4.350 0.001 0.000 0.196 283 E C 1.902 178.547 176.600 0.075 0.000 1.000 283 E CA 1.828 58.279 56.400 0.084 0.000 0.804 283 E CB -0.066 29.725 29.700 0.152 0.000 0.740 283 E HN 0.581 nan 8.360 nan 0.000 0.454 284 Q N -0.548 119.301 119.800 0.082 0.000 2.435 284 Q HA -0.024 4.317 4.340 0.001 0.000 0.207 284 Q C 1.294 177.324 176.000 0.049 0.000 0.956 284 Q CA 1.175 57.018 55.803 0.067 0.000 0.917 284 Q CB -0.133 28.650 28.738 0.074 0.000 0.997 284 Q HN 0.305 nan 8.270 nan 0.000 0.497 285 N N 1.061 119.788 118.700 0.045 0.000 2.300 285 N HA -0.025 4.716 4.740 0.001 0.000 0.179 285 N C 1.242 176.767 175.510 0.026 0.000 1.016 285 N CA 0.612 53.682 53.050 0.032 0.000 0.876 285 N CB 0.139 38.643 38.487 0.029 0.000 0.979 285 N HN 0.168 nan 8.380 nan 0.000 0.432 286 K N 0.501 120.917 120.400 0.027 0.000 2.360 286 K HA -0.021 4.299 4.320 0.001 0.000 0.201 286 K C 0.513 177.126 176.600 0.022 0.000 1.046 286 K CA 0.560 56.860 56.287 0.022 0.000 0.945 286 K CB -0.013 32.499 32.500 0.020 0.000 0.750 286 K HN 0.212 nan 8.250 nan 0.000 0.464 287 L N 0.245 121.484 121.223 0.027 0.000 2.657 287 L HA 0.151 4.492 4.340 0.001 0.000 0.240 287 L C 0.941 177.823 176.870 0.020 0.000 1.151 287 L CA -0.504 54.351 54.840 0.024 0.000 0.831 287 L CB 0.127 42.203 42.059 0.029 0.000 1.539 287 L HN -0.008 nan 8.230 nan 0.000 0.511 288 Q N 1.039 120.849 119.800 0.018 0.000 2.566 288 Q HA 0.340 4.681 4.340 0.001 0.000 0.221 288 Q C -0.381 175.628 176.000 0.016 0.000 1.195 288 Q CA -0.307 55.505 55.803 0.015 0.000 0.967 288 Q CB 0.192 28.938 28.738 0.012 0.000 1.337 288 Q HN 0.497 nan 8.270 nan 0.000 0.553 289 L N 3.256 124.490 121.223 0.017 0.000 2.450 289 L HA 0.187 4.528 4.340 0.001 0.000 0.256 289 L C 0.524 177.402 176.870 0.014 0.000 1.374 289 L CA 0.253 55.104 54.840 0.018 0.000 1.210 289 L CB -0.369 41.703 42.059 0.021 0.000 1.394 289 L HN 0.698 nan 8.230 nan 0.000 0.438 290 S N 0.741 116.449 115.700 0.012 0.000 2.707 290 S HA 0.529 5.000 4.470 0.001 0.000 0.276 290 S C 1.257 175.863 174.600 0.010 0.000 1.179 290 S CA -0.051 58.155 58.200 0.009 0.000 0.992 290 S CB 1.221 64.425 63.200 0.008 0.000 1.030 290 S HN 0.512 nan 8.310 nan 0.000 0.554 291 Q N 0.168 119.973 119.800 0.008 0.000 2.096 291 Q HA -0.041 4.300 4.340 0.001 0.000 0.204 291 Q C 0.802 176.809 176.000 0.011 0.000 0.982 291 Q CA 1.733 57.542 55.803 0.009 0.000 0.850 291 Q CB -1.293 27.449 28.738 0.007 0.000 0.901 291 Q HN 0.887 nan 8.270 nan 0.000 0.422 292 E N -0.396 119.810 120.200 0.009 0.000 2.384 292 E HA 0.385 4.736 4.350 0.001 0.000 0.266 292 E C -1.080 175.526 176.600 0.010 0.000 1.012 292 E CA -0.374 56.031 56.400 0.009 0.000 0.901 292 E CB 0.623 30.327 29.700 0.007 0.000 0.967 292 E HN 0.352 nan 8.360 nan 0.000 0.435 293 L N 3.361 124.590 121.223 0.010 0.000 2.415 293 L HA 0.235 4.576 4.340 0.001 0.000 0.268 293 L C -0.700 176.175 176.870 0.007 0.000 0.984 293 L CA -0.179 54.667 54.840 0.010 0.000 0.853 293 L CB 1.658 43.724 42.059 0.012 0.000 1.215 293 L HN 0.385 nan 8.230 nan 0.000 0.419 294 T N 2.834 117.392 114.554 0.007 0.000 2.913 294 T HA 0.404 4.755 4.350 0.001 0.000 0.287 294 T C 1.458 176.159 174.700 0.003 0.000 1.008 294 T CA 0.135 62.237 62.100 0.004 0.000 1.067 294 T CB 1.592 70.462 68.868 0.003 0.000 0.996 294 T HN 0.673 nan 8.240 nan 0.000 0.513 295 A N 1.281 124.101 122.820 -0.001 0.000 2.076 295 A HA -0.110 4.211 4.320 0.001 0.000 0.220 295 A C 2.136 179.720 177.584 -0.000 0.000 1.160 295 A CA 1.187 53.222 52.037 -0.003 0.000 0.653 295 A CB -0.354 18.640 19.000 -0.010 0.000 0.801 295 A HN 0.773 nan 8.150 nan 0.000 0.455 296 E N -0.703 119.497 120.200 0.001 0.000 2.060 296 E HA -0.070 4.281 4.350 0.001 0.000 0.189 296 E C 2.054 178.660 176.600 0.009 0.000 0.974 296 E CA 1.476 57.878 56.400 0.005 0.000 0.808 296 E CB -1.036 28.666 29.700 0.004 0.000 0.768 296 E HN 0.521 nan 8.360 nan 0.000 0.453 297 T N 2.253 116.813 114.554 0.010 0.000 2.803 297 T HA -0.098 4.253 4.350 0.001 0.000 0.269 297 T C 2.043 176.754 174.700 0.018 0.000 1.052 297 T CA 0.780 62.889 62.100 0.015 0.000 1.136 297 T CB -0.171 68.706 68.868 0.016 0.000 0.864 297 T HN 0.061 nan 8.240 nan 0.000 0.467 298 L N 0.188 121.418 121.223 0.013 0.000 2.156 298 L HA 0.005 4.346 4.340 0.001 0.000 0.208 298 L C 2.294 179.173 176.870 0.014 0.000 1.095 298 L CA 1.149 55.996 54.840 0.011 0.000 0.770 298 L CB -0.315 41.745 42.059 0.002 0.000 0.914 298 L HN 0.171 nan 8.230 nan 0.000 0.439 299 K N 0.171 120.579 120.400 0.013 0.000 2.555 299 K HA -0.072 4.249 4.320 0.001 0.000 0.193 299 K C 0.752 177.365 176.600 0.022 0.000 1.032 299 K CA 0.547 56.843 56.287 0.015 0.000 1.004 299 K CB 0.060 32.567 32.500 0.011 0.000 0.804 299 K HN 0.175 nan 8.250 nan 0.000 0.496 300 K N 0.610 121.025 120.400 0.026 0.000 2.814 300 K HA 0.251 4.572 4.320 0.001 0.000 0.213 300 K C -0.103 176.525 176.600 0.047 0.000 1.113 300 K CA -0.019 56.288 56.287 0.034 0.000 1.145 300 K CB 0.468 32.986 32.500 0.030 0.000 0.948 300 K HN 0.016 nan 8.250 nan 0.000 0.464 301 M N 1.216 120.846 119.600 0.050 0.000 3.124 301 M HA 0.152 4.633 4.480 0.001 0.000 0.298 301 M C -1.991 174.353 176.300 0.074 0.000 1.403 301 M CA -1.433 53.908 55.300 0.068 0.000 0.651 301 M CB 1.142 33.776 32.600 0.056 0.000 1.412 301 M HN -0.110 nan 8.290 nan 0.000 0.477 302 P HA -0.194 nan 4.420 nan 0.000 0.220 302 P C 1.085 178.454 177.300 0.116 0.000 1.148 302 P CA 1.406 64.558 63.100 0.086 0.000 0.803 302 P CB 0.095 31.849 31.700 0.090 0.000 0.782 303 Y N 1.048 121.374 120.300 0.044 0.000 2.220 303 Y HA -0.070 4.480 4.550 0.001 0.000 0.291 303 Y C 2.312 178.253 175.900 0.068 0.000 1.129 303 Y CA 0.798 58.929 58.100 0.052 0.000 1.161 303 Y CB -1.059 37.432 38.460 0.052 0.000 0.997 303 Y HN -0.249 nan 8.280 nan 0.000 0.522 304 L N 0.581 121.779 121.223 -0.041 0.000 2.127 304 L HA -0.190 4.151 4.340 0.001 0.000 0.211 304 L C 1.670 178.493 176.870 -0.078 0.000 1.089 304 L CA 2.015 56.819 54.840 -0.060 0.000 0.757 304 L CB -0.893 41.194 42.059 0.048 0.000 0.899 304 L HN 0.156 nan 8.230 nan 0.000 0.434 305 D N -0.762 119.604 120.400 -0.057 0.000 2.097 305 D HA -0.209 4.432 4.640 0.001 0.000 0.195 305 D C 2.165 178.394 176.300 -0.119 0.000 0.989 305 D CA 1.254 55.221 54.000 -0.056 0.000 0.827 305 D CB -0.125 40.664 40.800 -0.019 0.000 0.966 305 D HN 0.497 nan 8.370 nan 0.000 0.456 306 Q N 0.134 119.846 119.800 -0.147 0.000 2.096 306 Q HA -0.118 4.222 4.340 0.001 0.000 0.204 306 Q C 2.330 178.179 176.000 -0.252 0.000 0.982 306 Q CA 0.926 56.617 55.803 -0.188 0.000 0.850 306 Q CB 0.040 28.706 28.738 -0.119 0.000 0.901 306 Q HN 0.157 nan 8.270 nan 0.000 0.422 307 V N 0.848 120.605 119.914 -0.262 0.000 2.358 307 V HA -0.254 3.867 4.120 0.001 0.000 0.246 307 V C 2.115 178.250 176.094 0.068 0.000 1.047 307 V CA 1.540 63.778 62.300 -0.103 0.000 1.035 307 V CB -0.468 31.347 31.823 -0.013 0.000 0.658 307 V HN 0.356 nan 8.190 nan 0.000 0.452 308 L N -0.756 120.482 121.223 0.026 0.000 2.109 308 L HA -0.139 4.202 4.340 0.001 0.000 0.207 308 L C 2.765 179.622 176.870 -0.023 0.000 1.086 308 L CA 1.021 55.893 54.840 0.054 0.000 0.760 308 L CB -0.708 41.360 42.059 0.016 0.000 0.910 308 L HN 0.290 nan 8.230 nan 0.000 0.437 309 Q N 0.140 119.817 119.800 -0.205 0.000 2.077 309 Q HA -0.272 4.069 4.340 0.001 0.000 0.206 309 Q C 2.116 177.840 176.000 -0.459 0.000 0.989 309 Q CA 1.884 57.385 55.803 -0.503 0.000 0.853 309 Q CB -0.197 27.770 28.738 -1.286 0.000 0.907 309 Q HN 0.420 nan 8.270 nan 0.000 0.418 310 E N 0.067 120.090 120.200 -0.296 0.000 2.046 310 E HA -0.077 4.274 4.350 0.001 0.000 0.190 310 E C 2.085 178.838 176.600 0.256 0.000 0.982 310 E CA 0.784 57.184 56.400 -0.001 0.000 0.800 310 E CB -0.259 29.352 29.700 -0.148 0.000 0.756 310 E HN 0.064 nan 8.360 nan 0.000 0.449 311 V N 1.007 121.156 119.914 0.392 0.000 2.250 311 V HA -0.320 3.800 4.120 0.001 0.000 0.253 311 V C 2.504 178.701 176.094 0.172 0.000 1.065 311 V CA 2.169 64.656 62.300 0.312 0.000 1.039 311 V CB -0.573 31.416 31.823 0.276 0.000 0.647 311 V HN 0.330 nan 8.190 nan 0.000 0.446 312 L N -0.310 120.990 121.223 0.127 0.000 2.291 312 L HA -0.115 4.226 4.340 0.001 0.000 0.214 312 L C 2.604 179.589 176.870 0.192 0.000 1.120 312 L CA 1.538 56.426 54.840 0.079 0.000 0.799 312 L CB -0.424 41.626 42.059 -0.016 0.000 0.925 312 L HN 0.477 nan 8.230 nan 0.000 0.446 313 R N -0.293 120.359 120.500 0.254 0.000 2.156 313 R HA -0.054 4.287 4.340 0.001 0.000 0.207 313 R C 2.085 178.475 176.300 0.151 0.000 1.040 313 R CA 0.556 56.792 56.100 0.227 0.000 1.013 313 R CB -0.519 29.774 30.300 -0.011 0.000 0.931 313 R HN 0.123 nan 8.270 nan 0.000 0.465 314 L N 0.825 122.128 121.223 0.133 0.000 2.068 314 L HA 0.306 4.646 4.340 0.001 0.000 0.204 314 L C 0.635 177.567 176.870 0.104 0.000 1.076 314 L CA 1.514 56.425 54.840 0.118 0.000 0.753 314 L CB 0.140 42.316 42.059 0.194 0.000 0.910 314 L HN 0.218 nan 8.230 nan 0.000 0.439 315 I N 2.289 122.916 120.570 0.095 0.000 2.620 315 I HA 0.270 4.441 4.170 0.001 0.000 0.280 315 I C -2.290 173.848 176.117 0.035 0.000 1.143 315 I CA -1.728 59.605 61.300 0.055 0.000 1.163 315 I CB 0.639 38.660 38.000 0.034 0.000 1.461 315 I HN 0.078 nan 8.210 nan 0.000 0.530 316 P HA 0.194 nan 4.420 nan 0.000 0.276 316 P C -2.266 174.992 177.300 -0.070 0.000 1.253 316 P CA -1.391 61.675 63.100 -0.055 0.000 0.766 316 P CB 0.811 32.417 31.700 -0.156 0.000 0.845 317 P HA -0.085 nan 4.420 nan 0.000 0.217 317 P C 0.188 177.457 177.300 -0.052 0.000 1.150 317 P CA 1.101 64.171 63.100 -0.050 0.000 0.832 317 P CB 0.220 31.884 31.700 -0.060 0.000 0.787 318 V N 0.272 120.132 119.914 -0.089 0.000 2.350 318 V HA 0.353 4.474 4.120 0.001 0.000 0.276 318 V C 1.692 177.717 176.094 -0.114 0.000 1.028 318 V CA 0.057 62.311 62.300 -0.076 0.000 0.860 318 V CB 0.700 32.491 31.823 -0.054 0.000 0.990 318 V HN 0.082 nan 8.190 nan 0.000 0.453 319 G N 3.257 111.998 108.800 -0.099 0.000 2.422 319 G HA2 0.371 4.331 3.960 0.001 0.000 0.218 319 G HA3 0.371 4.331 3.960 0.001 0.000 0.218 319 G C 0.646 175.444 174.900 -0.170 0.000 1.140 319 G CA 0.959 45.995 45.100 -0.106 0.000 0.775 319 G HN 1.138 nan 8.290 nan 0.000 0.545 320 G N -2.368 106.284 108.800 -0.247 0.000 2.392 320 G HA2 0.604 4.565 3.960 0.001 0.000 0.260 320 G HA3 0.604 4.565 3.960 0.001 0.000 0.260 320 G C -0.620 173.880 174.900 -0.667 0.000 1.226 320 G CA 0.158 44.939 45.100 -0.532 0.000 0.913 320 G HN 1.225 nan 8.290 nan 0.000 0.483 321 G N -1.797 106.398 108.800 -1.008 0.000 2.506 321 G HA2 0.663 4.624 3.960 0.001 0.000 0.292 321 G HA3 0.663 4.624 3.960 0.001 0.000 0.292 321 G C -2.170 172.268 174.900 -0.770 0.000 1.425 321 G CA -0.583 44.101 45.100 -0.695 0.000 0.788 321 G HN 0.768 nan 8.290 nan 0.000 0.490 322 F N -0.133 119.606 119.950 -0.352 0.000 2.588 322 F HA 0.854 5.382 4.527 0.001 0.000 0.314 322 F C 0.358 176.018 175.800 -0.233 0.000 1.069 322 F CA -0.871 56.949 58.000 -0.301 0.000 0.931 322 F CB 2.690 41.498 39.000 -0.320 0.000 1.260 322 F HN 0.206 nan 8.300 nan 0.000 0.465 323 R N 0.783 121.287 120.500 0.007 0.000 2.774 323 R HA 0.378 4.719 4.340 0.001 0.000 0.272 323 R C -1.526 174.835 176.300 0.101 0.000 1.000 323 R CA -0.990 55.122 56.100 0.019 0.000 0.906 323 R CB 2.357 32.634 30.300 -0.038 0.000 1.227 323 R HN 0.766 nan 8.270 nan 0.000 0.468 324 E N 2.025 122.296 120.200 0.118 0.000 2.176 324 E HA 0.239 4.590 4.350 0.001 0.000 0.267 324 E C -0.612 176.071 176.600 0.139 0.000 0.893 324 E CA -0.818 55.655 56.400 0.122 0.000 0.761 324 E CB 1.025 30.763 29.700 0.064 0.000 1.133 324 E HN 0.163 nan 8.360 nan 0.000 0.409 325 L N 6.476 127.781 121.223 0.137 0.000 2.477 325 L HA 0.049 4.390 4.340 0.001 0.000 0.272 325 L C 1.024 177.891 176.870 -0.006 0.000 1.157 325 L CA 0.792 55.641 54.840 0.016 0.000 0.889 325 L CB -0.225 41.861 42.059 0.045 0.000 1.158 325 L HN 0.673 nan 8.230 nan 0.000 0.473 326 I N -0.447 120.083 120.570 -0.067 0.000 3.956 326 I HA 0.231 4.402 4.170 0.001 0.000 0.333 326 I C 0.492 176.576 176.117 -0.055 0.000 1.302 326 I CA -0.054 61.222 61.300 -0.040 0.000 1.122 326 I CB 0.061 38.042 38.000 -0.031 0.000 1.013 326 I HN 0.571 nan 8.210 nan 0.000 0.405 327 Q N 1.332 121.074 119.800 -0.097 0.000 2.372 327 Q HA 0.341 4.682 4.340 0.001 0.000 0.273 327 Q C -1.373 174.593 176.000 -0.057 0.000 1.078 327 Q CA -0.813 54.946 55.803 -0.073 0.000 0.806 327 Q CB 2.930 31.608 28.738 -0.099 0.000 1.332 327 Q HN 0.111 nan 8.270 nan 0.000 0.435 328 D N 0.855 121.249 120.400 -0.010 0.000 2.425 328 D HA 0.238 4.879 4.640 0.001 0.000 0.247 328 D C -0.517 175.807 176.300 0.041 0.000 1.147 328 D CA 0.528 54.542 54.000 0.024 0.000 0.879 328 D CB 0.490 41.346 40.800 0.094 0.000 1.179 328 D HN 0.573 nan 8.370 nan 0.000 0.456 329 C N 2.078 121.417 119.300 0.065 0.000 3.293 329 C HA 0.732 5.192 4.460 0.001 0.000 0.362 329 C C -1.875 173.203 174.990 0.147 0.000 1.539 329 C CA -0.840 58.233 59.018 0.091 0.000 1.201 329 C CB 1.413 29.179 27.740 0.043 0.000 1.770 329 C HN 0.614 nan 8.230 nan 0.000 0.440 330 Q N 0.790 120.636 119.800 0.076 0.000 2.340 330 Q HA 0.709 5.049 4.340 0.001 0.000 0.276 330 Q C -2.377 173.479 176.000 -0.241 0.000 1.048 330 Q CA -0.176 55.639 55.803 0.019 0.000 0.832 330 Q CB 2.499 31.285 28.738 0.079 0.000 1.373 330 Q HN 1.153 nan 8.270 nan 0.000 0.409 331 F N 3.036 122.623 119.950 -0.605 0.000 2.615 331 F HA 0.267 4.795 4.527 0.001 0.000 0.312 331 F C -0.397 175.207 175.800 -0.326 0.000 1.119 331 F CA -0.221 57.270 58.000 -0.847 0.000 0.979 331 F CB 1.543 39.319 39.000 -2.040 0.000 1.266 331 F HN 0.811 nan 8.300 nan 0.000 0.444 332 Q N 4.587 123.686 119.800 -1.169 0.000 2.435 332 Q HA -0.250 4.091 4.340 0.001 0.000 0.312 332 Q C 1.201 176.963 176.000 -0.397 0.000 1.333 332 Q CA 1.347 56.692 55.803 -0.764 0.000 0.883 332 Q CB -1.373 26.881 28.738 -0.807 0.000 1.170 332 Q HN 1.562 nan 8.270 nan 0.000 0.443 333 G N -0.789 107.833 108.800 -0.298 0.000 2.480 333 G HA2 -0.385 3.576 3.960 0.001 0.000 0.246 333 G HA3 -0.385 3.576 3.960 0.001 0.000 0.246 333 G C 0.195 175.026 174.900 -0.115 0.000 1.073 333 G CA 0.544 45.512 45.100 -0.221 0.000 0.643 333 G HN 0.449 nan 8.290 nan 0.000 0.525 334 F N 1.246 121.201 119.950 0.009 0.000 2.589 334 F HA 0.411 4.938 4.527 0.001 0.000 0.352 334 F C 1.226 177.185 175.800 0.266 0.000 1.168 334 F CA 0.183 58.268 58.000 0.141 0.000 1.353 334 F CB 0.368 39.508 39.000 0.233 0.000 1.116 334 F HN 0.283 nan 8.300 nan 0.000 0.608 335 H N 3.026 122.308 119.070 0.352 0.000 2.489 335 H HA 0.333 4.890 4.556 0.001 0.000 0.322 335 H C -1.287 174.159 175.328 0.196 0.000 1.091 335 H CA -1.030 55.141 56.048 0.205 0.000 1.291 335 H CB 0.433 30.216 29.762 0.035 0.000 1.436 335 H HN 0.413 nan 8.280 nan 0.000 0.480 336 F N 7.315 126.977 119.950 -0.481 0.000 2.363 336 F HA 0.298 4.826 4.527 0.002 0.000 0.366 336 F C -2.182 173.199 175.800 -0.699 0.000 1.083 336 F CA -2.218 55.507 58.000 -0.458 0.000 1.176 336 F CB 1.339 40.312 39.000 -0.044 0.000 1.432 336 F HN 0.490 nan 8.300 nan 0.000 0.482 337 P HA 0.039 nan 4.420 nan 0.000 0.279 337 P C -0.208 176.914 177.300 -0.297 0.000 1.239 337 P CA -0.566 62.088 63.100 -0.744 0.000 0.789 337 P CB 0.741 31.881 31.700 -0.933 0.000 0.933 338 K N 2.105 122.451 120.400 -0.089 0.000 2.604 338 K HA -0.117 4.204 4.320 0.001 0.000 0.278 338 K C 1.445 178.128 176.600 0.137 0.000 0.975 338 K CA 1.945 58.247 56.287 0.026 0.000 1.066 338 K CB -0.582 31.941 32.500 0.039 0.000 0.840 338 K HN 0.893 nan 8.250 nan 0.000 0.491 339 G N 2.615 111.498 108.800 0.139 0.000 2.186 339 G HA2 -0.253 3.708 3.960 0.001 0.000 0.266 339 G HA3 -0.253 3.708 3.960 0.001 0.000 0.266 339 G C -0.075 174.980 174.900 0.258 0.000 0.982 339 G CA 0.738 45.938 45.100 0.167 0.000 0.670 339 G HN 0.559 nan 8.290 nan 0.000 0.533 340 W N -0.409 120.881 121.300 -0.015 0.000 2.116 340 W HA 0.762 5.422 4.660 0.001 0.000 0.374 340 W C 0.872 177.387 176.519 -0.007 0.000 1.445 340 W CA -0.807 56.524 57.345 -0.023 0.000 1.582 340 W CB 0.239 29.674 29.460 -0.041 0.000 1.263 340 W HN 0.060 nan 8.180 nan 0.000 0.683 341 L N 1.011 122.368 121.223 0.222 0.000 2.333 341 L HA 0.684 5.025 4.340 0.001 0.000 0.269 341 L C -0.783 176.149 176.870 0.104 0.000 1.010 341 L CA -1.416 53.507 54.840 0.138 0.000 0.818 341 L CB 1.458 43.561 42.059 0.074 0.000 1.306 341 L HN -0.121 nan 8.230 nan 0.000 0.430 342 V N 0.588 120.544 119.914 0.069 0.000 2.487 342 V HA 0.424 4.545 4.120 0.001 0.000 0.298 342 V C -0.159 175.744 176.094 -0.317 0.000 1.028 342 V CA -0.524 61.745 62.300 -0.053 0.000 0.860 342 V CB 1.708 33.614 31.823 0.139 0.000 0.991 342 V HN 0.800 nan 8.190 nan 0.000 0.427 343 S N 5.179 120.489 115.700 -0.650 0.000 2.474 343 S HA 0.683 5.153 4.470 0.001 0.000 0.321 343 S C -0.816 173.370 174.600 -0.689 0.000 1.080 343 S CA -0.587 56.924 58.200 -1.149 0.000 1.106 343 S CB 0.598 62.554 63.200 -2.073 0.000 0.984 343 S HN 0.765 nan 8.310 nan 0.000 0.464 344 Y N 2.501 122.437 120.300 -0.607 0.000 2.488 344 Y HA 0.789 5.340 4.550 0.002 0.000 0.325 344 Y C -0.184 175.550 175.900 -0.276 0.000 1.204 344 Y CA -1.130 56.742 58.100 -0.380 0.000 1.229 344 Y CB 1.094 39.331 38.460 -0.371 0.000 1.274 344 Y HN 0.527 nan 8.280 nan 0.000 0.493 345 Q N 2.911 122.693 119.800 -0.031 0.000 2.932 345 Q HA 0.411 4.752 4.340 0.001 0.000 0.248 345 Q C -0.419 175.597 176.000 0.028 0.000 0.982 345 Q CA -0.098 55.674 55.803 -0.051 0.000 0.730 345 Q CB 0.117 28.886 28.738 0.051 0.000 1.249 345 Q HN 1.008 nan 8.270 nan 0.000 0.476 346 I N -0.054 120.487 120.570 -0.049 0.000 2.151 346 I HA -0.345 3.826 4.170 0.001 0.000 0.243 346 I C 1.900 177.888 176.117 -0.215 0.000 1.080 346 I CA 1.928 63.161 61.300 -0.111 0.000 1.339 346 I CB -0.210 37.667 38.000 -0.206 0.000 1.039 346 I HN 0.631 nan 8.210 nan 0.000 0.409 347 S N -0.056 115.565 115.700 -0.133 0.000 2.402 347 S HA -0.257 4.214 4.470 0.001 0.000 0.229 347 S C 1.894 176.539 174.600 0.075 0.000 1.021 347 S CA 1.194 59.365 58.200 -0.049 0.000 0.974 347 S CB -0.376 62.812 63.200 -0.019 0.000 0.800 347 S HN 0.419 nan 8.310 nan 0.000 0.484 348 Q N 1.678 121.537 119.800 0.098 0.000 1.990 348 Q HA -0.044 4.297 4.340 0.001 0.000 0.200 348 Q C 2.183 178.312 176.000 0.215 0.000 0.980 348 Q CA 2.397 58.290 55.803 0.151 0.000 0.832 348 Q CB -1.193 27.635 28.738 0.150 0.000 0.897 348 Q HN 0.575 nan 8.270 nan 0.000 0.427 349 T N 0.101 114.802 114.554 0.245 0.000 2.685 349 T HA -0.219 4.131 4.350 0.001 0.000 0.268 349 T C 1.134 176.149 174.700 0.525 0.000 1.034 349 T CA 1.848 64.166 62.100 0.362 0.000 1.149 349 T CB -0.472 68.639 68.868 0.406 0.000 0.860 349 T HN 0.499 nan 8.240 nan 0.000 0.449 350 H N -0.565 118.645 119.070 0.234 0.000 2.547 350 H HA 0.420 4.977 4.556 0.001 0.000 0.266 350 H C 1.858 177.214 175.328 0.046 0.000 0.988 350 H CA 0.250 56.368 56.048 0.117 0.000 1.147 350 H CB 0.234 30.009 29.762 0.021 0.000 1.365 350 H HN 0.365 nan 8.280 nan 0.000 0.589 351 A N 0.302 123.286 122.820 0.274 0.000 2.419 351 A HA -0.005 4.316 4.320 0.001 0.000 0.233 351 A C 0.533 178.257 177.584 0.232 0.000 1.217 351 A CA -0.331 51.827 52.037 0.202 0.000 0.944 351 A CB 0.550 19.641 19.000 0.153 0.000 1.025 351 A HN 0.200 nan 8.150 nan 0.000 0.524 352 D N 1.464 122.036 120.400 0.287 0.000 2.493 352 D HA 0.029 4.670 4.640 0.001 0.000 0.240 352 D C -1.414 175.020 176.300 0.224 0.000 1.142 352 D CA -0.855 53.284 54.000 0.232 0.000 0.872 352 D CB 1.393 42.330 40.800 0.227 0.000 1.173 352 D HN 0.135 nan 8.370 nan 0.000 0.467 353 P HA -0.056 nan 4.420 nan 0.000 0.221 353 P C 0.546 177.887 177.300 0.067 0.000 1.155 353 P CA 0.640 63.810 63.100 0.117 0.000 0.812 353 P CB 0.487 32.240 31.700 0.088 0.000 0.801 354 D N 0.168 120.593 120.400 0.043 0.000 2.092 354 D HA -0.132 4.509 4.640 0.001 0.000 0.193 354 D C 1.924 178.176 176.300 -0.079 0.000 0.994 354 D CA 1.025 55.023 54.000 -0.003 0.000 0.828 354 D CB -0.960 39.845 40.800 0.008 0.000 0.963 354 D HN 0.021 nan 8.370 nan 0.000 0.450 355 L N -0.872 120.273 121.223 -0.131 0.000 2.141 355 L HA -0.042 4.299 4.340 0.001 0.000 0.209 355 L C -0.085 176.294 176.870 -0.817 0.000 1.094 355 L CA 1.201 55.771 54.840 -0.450 0.000 0.763 355 L CB -0.453 41.345 42.059 -0.435 0.000 0.908 355 L HN 0.119 nan 8.230 nan 0.000 0.437 356 Y N -1.508 118.798 120.300 0.009 0.000 2.400 356 Y HA 0.392 4.943 4.550 0.001 0.000 0.335 356 Y C -2.351 173.556 175.900 0.012 0.000 1.066 356 Y CA -3.200 54.895 58.100 -0.008 0.000 1.285 356 Y CB 0.619 39.087 38.460 0.014 0.000 1.103 356 Y HN -0.098 nan 8.280 nan 0.000 0.490 357 P HA 0.119 nan 4.420 nan 0.000 0.276 357 P C -0.265 177.086 177.300 0.084 0.000 1.230 357 P CA 0.108 63.251 63.100 0.071 0.000 0.776 357 P CB 0.702 32.421 31.700 0.032 0.000 0.888 358 D N 2.462 122.910 120.400 0.080 0.000 2.746 358 D HA -0.110 4.530 4.640 0.001 0.000 0.241 358 D C -1.395 174.968 176.300 0.104 0.000 1.140 358 D CA 0.153 54.202 54.000 0.082 0.000 0.707 358 D CB -0.474 40.369 40.800 0.072 0.000 1.034 358 D HN 0.335 nan 8.370 nan 0.000 0.423 359 P HA -0.117 nan 4.420 nan 0.000 0.244 359 P C 0.640 178.005 177.300 0.108 0.000 1.211 359 P CA 0.860 64.045 63.100 0.142 0.000 0.760 359 P CB 0.218 32.019 31.700 0.170 0.000 0.961 360 E N -0.926 119.336 120.200 0.103 0.000 2.562 360 E HA 0.139 4.489 4.350 0.001 0.000 0.214 360 E C 0.422 177.098 176.600 0.126 0.000 0.979 360 E CA -0.084 56.378 56.400 0.103 0.000 1.002 360 E CB -0.465 29.289 29.700 0.090 0.000 1.048 360 E HN 0.010 nan 8.360 nan 0.000 0.488 361 K N 1.170 121.649 120.400 0.132 0.000 2.110 361 K HA 0.452 4.773 4.320 0.001 0.000 0.263 361 K C -0.927 175.789 176.600 0.193 0.000 0.975 361 K CA -0.680 55.708 56.287 0.167 0.000 0.895 361 K CB 0.602 33.184 32.500 0.137 0.000 1.060 361 K HN 0.169 nan 8.250 nan 0.000 0.448 362 F N 2.727 122.698 119.950 0.035 0.000 2.368 362 F HA 0.399 4.927 4.527 0.001 0.000 0.362 362 F C -0.441 175.319 175.800 -0.065 0.000 1.137 362 F CA -0.921 57.039 58.000 -0.067 0.000 1.161 362 F CB 0.733 39.580 39.000 -0.255 0.000 1.265 362 F HN 0.632 nan 8.300 nan 0.000 0.530 363 D N 8.056 128.207 120.400 -0.415 0.000 2.389 363 D HA 0.377 5.018 4.640 0.001 0.000 0.256 363 D C -2.136 173.977 176.300 -0.312 0.000 1.239 363 D CA -2.133 51.679 54.000 -0.314 0.000 0.925 363 D CB 1.783 42.532 40.800 -0.085 0.000 1.145 363 D HN 0.170 nan 8.370 nan 0.000 0.542 364 P HA -0.137 nan 4.420 nan 0.000 0.220 364 P C 0.970 178.290 177.300 0.035 0.000 1.144 364 P CA 0.697 63.678 63.100 -0.199 0.000 0.800 364 P CB 0.362 31.891 31.700 -0.286 0.000 0.772 365 E N -0.372 119.851 120.200 0.039 0.000 2.265 365 E HA -0.139 4.212 4.350 0.001 0.000 0.196 365 E C 1.803 178.410 176.600 0.010 0.000 0.996 365 E CA 0.743 57.181 56.400 0.063 0.000 0.832 365 E CB -0.448 29.279 29.700 0.045 0.000 0.756 365 E HN 0.406 nan 8.360 nan 0.000 0.491 366 R N -0.580 119.896 120.500 -0.041 0.000 2.200 366 R HA -0.089 4.252 4.340 0.001 0.000 0.234 366 R C 1.272 177.316 176.300 -0.427 0.000 1.127 366 R CA 0.938 56.902 56.100 -0.227 0.000 0.989 366 R CB -0.214 29.907 30.300 -0.299 0.000 0.869 366 R HN 0.143 nan 8.270 nan 0.000 0.459 367 F N 0.047 119.958 119.950 -0.065 0.000 2.682 367 F HA 0.137 4.665 4.527 0.001 0.000 0.308 367 F C 0.521 176.295 175.800 -0.043 0.000 1.093 367 F CA -0.394 57.560 58.000 -0.076 0.000 1.244 367 F CB 0.363 39.301 39.000 -0.103 0.000 1.052 367 F HN -0.214 nan 8.300 nan 0.000 0.573 368 T N 0.915 115.531 114.554 0.103 0.000 2.928 368 T HA -0.014 4.337 4.350 0.001 0.000 0.305 368 T C -1.483 173.229 174.700 0.020 0.000 1.035 368 T CA -1.016 61.131 62.100 0.078 0.000 1.145 368 T CB 0.476 69.387 68.868 0.072 0.000 0.963 368 T HN -0.112 nan 8.240 nan 0.000 0.545 369 P HA -0.204 nan 4.420 nan 0.000 0.225 369 P C 0.386 177.652 177.300 -0.057 0.000 1.155 369 P CA 1.511 64.605 63.100 -0.009 0.000 0.863 369 P CB 0.062 31.772 31.700 0.016 0.000 0.774 370 D N -2.478 117.904 120.400 -0.030 0.000 2.720 370 D HA 0.264 4.905 4.640 0.001 0.000 0.285 370 D C 0.855 177.171 176.300 0.026 0.000 1.359 370 D CA -0.168 53.839 54.000 0.013 0.000 0.818 370 D CB -0.061 40.832 40.800 0.156 0.000 1.108 370 D HN -0.013 nan 8.370 nan 0.000 0.474 371 G N -0.804 107.936 108.800 -0.100 0.000 2.621 371 G HA2 0.177 4.138 3.960 0.001 0.000 0.271 371 G HA3 0.177 4.138 3.960 0.001 0.000 0.271 371 G C 1.227 176.073 174.900 -0.089 0.000 1.236 371 G CA -0.379 44.671 45.100 -0.083 0.000 0.958 371 G HN 0.138 nan 8.290 nan 0.000 0.512 372 S N 0.217 115.855 115.700 -0.102 0.000 2.374 372 S HA -0.213 4.258 4.470 0.001 0.000 0.227 372 S C 2.458 176.923 174.600 -0.225 0.000 1.037 372 S CA 1.625 59.758 58.200 -0.111 0.000 1.024 372 S CB -0.324 62.806 63.200 -0.117 0.000 0.861 372 S HN 0.865 nan 8.310 nan 0.000 0.456 373 A N 0.790 123.362 122.820 -0.414 0.000 2.178 373 A HA 0.150 4.471 4.320 0.001 0.000 0.211 373 A C 2.108 179.464 177.584 -0.381 0.000 1.157 373 A CA 0.909 52.627 52.037 -0.533 0.000 0.780 373 A CB -0.643 17.719 19.000 -1.064 0.000 0.828 373 A HN 0.438 nan 8.150 nan 0.000 0.476 374 T N -0.185 114.147 114.554 -0.371 0.000 2.904 374 T HA -0.048 4.303 4.350 0.001 0.000 0.267 374 T C 0.927 175.393 174.700 -0.391 0.000 1.059 374 T CA 0.977 62.857 62.100 -0.367 0.000 1.137 374 T CB -0.320 68.271 68.868 -0.462 0.000 0.879 374 T HN 0.600 nan 8.240 nan 0.000 0.467 375 H N 1.487 120.491 119.070 -0.110 0.000 2.655 375 H HA 0.386 4.943 4.556 0.001 0.000 0.309 375 H C -0.127 175.144 175.328 -0.095 0.000 1.180 375 H CA -0.345 55.652 56.048 -0.085 0.000 1.087 375 H CB -0.238 29.480 29.762 -0.074 0.000 1.494 375 H HN 0.153 nan 8.280 nan 0.000 0.515 376 N N 2.143 120.815 118.700 -0.047 0.000 2.384 376 N HA 0.261 5.001 4.740 0.001 0.000 0.301 376 N C -2.140 173.354 175.510 -0.028 0.000 1.133 376 N CA -1.516 51.495 53.050 -0.065 0.000 0.853 376 N CB 1.844 40.244 38.487 -0.144 0.000 1.241 376 N HN 0.146 nan 8.380 nan 0.000 0.502 377 P HA 0.341 nan 4.420 nan 0.000 0.276 377 P C -2.611 174.698 177.300 0.016 0.000 1.252 377 P CA -0.880 62.231 63.100 0.019 0.000 0.802 377 P CB -0.551 31.179 31.700 0.050 0.000 1.035 378 P HA -0.097 nan 4.420 nan 0.000 0.264 378 P C -0.204 177.096 177.300 0.000 0.000 1.173 378 P CA 0.486 63.477 63.100 -0.181 0.000 0.761 378 P CB -0.242 31.317 31.700 -0.235 0.000 0.794 379 F N -0.898 119.142 119.950 0.150 0.000 3.058 379 F HA -0.212 4.316 4.527 0.001 0.000 0.295 379 F C 1.353 177.280 175.800 0.213 0.000 0.875 379 F CA 0.735 58.853 58.000 0.198 0.000 1.150 379 F CB -2.547 36.584 39.000 0.218 0.000 1.175 379 F HN 0.430 nan 8.300 nan 0.000 0.599 380 A N -1.582 121.417 122.820 0.299 0.000 2.115 380 A HA 0.179 4.500 4.320 0.001 0.000 0.211 380 A C 0.596 178.433 177.584 0.422 0.000 1.169 380 A CA 0.997 53.201 52.037 0.278 0.000 0.787 380 A CB 0.005 19.059 19.000 0.090 0.000 0.858 380 A HN 0.484 nan 8.150 nan 0.000 0.474 381 H N -0.263 118.981 119.070 0.289 0.000 2.762 381 H HA 0.485 5.042 4.556 0.001 0.000 0.310 381 H C -0.675 174.874 175.328 0.368 0.000 1.004 381 H CA -0.443 55.762 56.048 0.261 0.000 1.267 381 H CB 1.441 31.384 29.762 0.302 0.000 1.437 381 H HN 0.140 nan 8.280 nan 0.000 0.498 382 V N 4.248 124.415 119.914 0.421 0.000 2.771 382 V HA 0.325 4.446 4.120 0.001 0.000 0.355 382 V C -2.195 173.965 176.094 0.110 0.000 1.289 382 V CA -0.937 61.544 62.300 0.302 0.000 1.231 382 V CB 0.818 32.887 31.823 0.410 0.000 1.396 382 V HN 0.574 nan 8.190 nan 0.000 0.628 383 P HA -0.018 nan 4.420 nan 0.000 0.225 383 P C 0.737 177.752 177.300 -0.474 0.000 1.148 383 P CA 1.216 64.112 63.100 -0.340 0.000 0.779 383 P CB 0.021 31.390 31.700 -0.551 0.000 0.780 384 F N -0.794 119.147 119.950 -0.015 0.000 2.654 384 F HA 0.410 4.938 4.527 0.002 0.000 0.303 384 F C 1.772 177.558 175.800 -0.023 0.000 1.099 384 F CA 0.284 58.274 58.000 -0.018 0.000 1.270 384 F CB 0.131 39.108 39.000 -0.038 0.000 1.024 384 F HN 0.028 nan 8.300 nan 0.000 0.548 385 G N 0.798 109.677 108.800 0.131 0.000 2.539 385 G HA2 0.141 4.101 3.960 0.001 0.000 0.256 385 G HA3 0.141 4.101 3.960 0.001 0.000 0.256 385 G C 0.060 174.742 174.900 -0.364 0.000 1.233 385 G CA -0.439 44.684 45.100 0.039 0.000 0.936 385 G HN 0.899 nan 8.290 nan 0.000 0.571 386 G N -3.015 105.158 108.800 -1.045 0.000 2.550 386 G HA2 0.796 4.757 3.960 0.001 0.000 0.293 386 G HA3 0.796 4.757 3.960 0.001 0.000 0.293 386 G C 0.899 175.136 174.900 -1.105 0.000 1.402 386 G CA 1.242 45.568 45.100 -1.291 0.000 0.784 386 G HN 2.832 nan 8.290 nan 0.000 0.482 387 G N -0.957 107.518 108.800 -0.541 0.000 2.547 387 G HA2 -0.031 3.930 3.960 0.001 0.000 0.271 387 G HA3 -0.031 3.930 3.960 0.001 0.000 0.271 387 G C 0.878 175.725 174.900 -0.088 0.000 1.209 387 G CA 0.455 45.444 45.100 -0.187 0.000 0.959 387 G HN 1.465 nan 8.290 nan 0.000 0.563 388 L N 1.055 122.280 121.223 0.003 0.000 2.275 388 L HA 0.153 4.494 4.340 0.001 0.000 0.215 388 L C 2.741 179.699 176.870 0.146 0.000 1.119 388 L CA 1.804 56.693 54.840 0.083 0.000 0.790 388 L CB -0.471 41.660 42.059 0.119 0.000 0.919 388 L HN 0.544 nan 8.230 nan 0.000 0.443 389 R N -0.361 120.181 120.500 0.068 0.000 2.546 389 R HA 0.160 4.501 4.340 0.001 0.000 0.320 389 R C 0.248 176.579 176.300 0.052 0.000 1.021 389 R CA -0.184 55.978 56.100 0.104 0.000 1.088 389 R CB 0.274 30.621 30.300 0.078 0.000 1.278 389 R HN 0.391 nan 8.270 nan 0.000 0.557 390 E N 0.826 121.006 120.200 -0.033 0.000 2.415 390 E HA -0.063 4.288 4.350 0.001 0.000 0.262 390 E C -0.388 176.212 176.600 0.000 0.000 1.038 390 E CA -0.104 56.260 56.400 -0.059 0.000 0.921 390 E CB 0.885 30.512 29.700 -0.122 0.000 0.950 390 E HN 0.091 nan 8.360 nan 0.000 0.438 391 C N 5.549 124.881 119.300 0.053 0.000 2.298 391 C HA -0.097 4.364 4.460 0.001 0.000 0.395 391 C C 1.819 176.750 174.990 -0.098 0.000 1.526 391 C CA -0.072 58.972 59.018 0.044 0.000 1.458 391 C CB -1.259 26.594 27.740 0.189 0.000 2.506 391 C HN 0.859 nan 8.230 nan 0.000 0.604 392 L N 5.758 126.910 121.223 -0.117 0.000 2.291 392 L HA 0.237 4.578 4.340 0.001 0.000 0.214 392 L C 1.997 178.502 176.870 -0.609 0.000 1.120 392 L CA 2.191 56.892 54.840 -0.231 0.000 0.799 392 L CB -0.233 41.756 42.059 -0.118 0.000 0.925 392 L HN 0.870 nan 8.230 nan 0.000 0.446 393 G N -1.110 107.376 108.800 -0.524 0.000 3.502 393 G HA2 0.008 3.969 3.960 0.001 0.000 0.267 393 G HA3 0.008 3.969 3.960 0.001 0.000 0.267 393 G C 1.264 176.012 174.900 -0.253 0.000 1.090 393 G CA 0.245 44.974 45.100 -0.619 0.000 0.795 393 G HN 0.530 nan 8.290 nan 0.000 0.535 394 K N 0.430 120.593 120.400 -0.394 0.000 2.103 394 K HA -0.043 4.277 4.320 0.001 0.000 0.207 394 K C 1.632 177.954 176.600 -0.462 0.000 1.048 394 K CA 1.311 57.129 56.287 -0.782 0.000 0.930 394 K CB 0.011 31.597 32.500 -1.524 0.000 0.716 394 K HN 0.053 nan 8.250 nan 0.000 0.444 395 E N 0.516 120.578 120.200 -0.230 0.000 2.112 395 E HA -0.098 4.253 4.350 0.001 0.000 0.190 395 E C 1.780 178.433 176.600 0.089 0.000 0.979 395 E CA 0.665 57.030 56.400 -0.059 0.000 0.814 395 E CB -0.377 29.331 29.700 0.012 0.000 0.762 395 E HN 0.384 nan 8.360 nan 0.000 0.460 396 F N 1.957 121.937 119.950 0.051 0.000 2.095 396 F HA -0.231 4.296 4.527 0.001 0.000 0.298 396 F C 2.225 178.078 175.800 0.088 0.000 1.104 396 F CA 1.759 59.865 58.000 0.177 0.000 1.232 396 F CB -0.313 38.913 39.000 0.376 0.000 0.987 396 F HN 0.007 nan 8.300 nan 0.000 0.475 397 A N 0.400 123.326 122.820 0.177 0.000 1.908 397 A HA -0.209 4.112 4.320 0.001 0.000 0.218 397 A C 2.322 179.912 177.584 0.010 0.000 1.181 397 A CA 1.852 53.949 52.037 0.100 0.000 0.627 397 A CB -0.769 18.389 19.000 0.264 0.000 0.818 397 A HN 0.471 nan 8.150 nan 0.000 0.445 398 R N -1.423 119.080 120.500 0.005 0.000 2.115 398 R HA -0.051 4.290 4.340 0.001 0.000 0.230 398 R C 2.067 178.335 176.300 -0.054 0.000 1.111 398 R CA 1.230 57.329 56.100 -0.002 0.000 0.976 398 R CB -0.380 29.908 30.300 -0.021 0.000 0.870 398 R HN 0.492 nan 8.270 nan 0.000 0.445 399 L N 1.120 122.291 121.223 -0.086 0.000 2.023 399 L HA -0.129 4.212 4.340 0.001 0.000 0.205 399 L C 2.181 178.953 176.870 -0.163 0.000 1.073 399 L CA 1.851 56.627 54.840 -0.107 0.000 0.745 399 L CB -0.459 41.545 42.059 -0.091 0.000 0.900 399 L HN 0.109 nan 8.230 nan 0.000 0.435 400 E N -0.855 119.174 120.200 -0.285 0.000 2.077 400 E HA -0.267 4.084 4.350 0.001 0.000 0.193 400 E C 2.201 178.703 176.600 -0.163 0.000 0.989 400 E CA 1.670 57.908 56.400 -0.271 0.000 0.800 400 E CB -0.169 29.280 29.700 -0.419 0.000 0.746 400 E HN 0.506 nan 8.360 nan 0.000 0.452 401 M N 0.190 119.697 119.600 -0.155 0.000 2.202 401 M HA -0.198 4.283 4.480 0.001 0.000 0.262 401 M C 2.418 178.620 176.300 -0.164 0.000 1.063 401 M CA 1.469 56.677 55.300 -0.154 0.000 1.097 401 M CB -0.166 32.365 32.600 -0.116 0.000 1.382 401 M HN 0.008 nan 8.290 nan 0.000 0.413 402 K N 0.471 120.799 120.400 -0.121 0.000 2.128 402 K HA -0.056 4.264 4.320 0.001 0.000 0.202 402 K C 1.900 178.450 176.600 -0.082 0.000 1.050 402 K CA 0.480 56.702 56.287 -0.109 0.000 0.966 402 K CB 0.044 32.504 32.500 -0.065 0.000 0.759 402 K HN 0.155 nan 8.250 nan 0.000 0.454 403 L N 0.874 122.063 121.223 -0.056 0.000 2.083 403 L HA -0.107 4.234 4.340 0.001 0.000 0.209 403 L C 2.044 178.912 176.870 -0.003 0.000 1.083 403 L CA 1.448 56.272 54.840 -0.028 0.000 0.752 403 L CB -0.470 41.570 42.059 -0.030 0.000 0.899 403 L HN 0.185 nan 8.230 nan 0.000 0.433 404 F N 0.550 120.407 119.950 -0.155 0.000 2.075 404 F HA -0.174 4.353 4.527 0.001 0.000 0.297 404 F C 2.358 178.064 175.800 -0.157 0.000 1.113 404 F CA 1.663 59.572 58.000 -0.150 0.000 1.218 404 F CB -0.791 38.078 39.000 -0.219 0.000 0.984 404 F HN 0.121 nan 8.300 nan 0.000 0.472 405 A N -0.392 122.221 122.820 -0.345 0.000 1.948 405 A HA -0.212 4.109 4.320 0.001 0.000 0.220 405 A C 2.155 179.660 177.584 -0.132 0.000 1.177 405 A CA 2.450 54.186 52.037 -0.500 0.000 0.636 405 A CB -1.470 17.082 19.000 -0.747 0.000 0.815 405 A HN 0.515 nan 8.150 nan 0.000 0.449 406 T N -0.638 113.860 114.554 -0.093 0.000 2.732 406 T HA -0.072 4.279 4.350 0.001 0.000 0.261 406 T C 2.103 176.809 174.700 0.011 0.000 1.040 406 T CA 1.158 63.258 62.100 0.001 0.000 1.145 406 T CB -0.200 68.670 68.868 0.003 0.000 0.866 406 T HN 0.331 nan 8.240 nan 0.000 0.427 407 R N 0.839 121.320 120.500 -0.031 0.000 2.120 407 R HA 0.093 4.434 4.340 0.001 0.000 0.234 407 R C 2.279 178.614 176.300 0.058 0.000 1.123 407 R CA 0.570 56.679 56.100 0.015 0.000 0.975 407 R CB -1.227 29.085 30.300 0.021 0.000 0.866 407 R HN 0.299 nan 8.270 nan 0.000 0.446 408 L N 0.965 122.137 121.223 -0.084 0.000 1.948 408 L HA -0.079 4.262 4.340 0.001 0.000 0.212 408 L C 2.162 179.213 176.870 0.301 0.000 1.074 408 L CA 1.681 56.537 54.840 0.026 0.000 0.753 408 L CB -0.766 41.050 42.059 -0.406 0.000 0.888 408 L HN 0.029 nan 8.230 nan 0.000 0.432 409 I N -0.721 120.030 120.570 0.302 0.000 2.264 409 I HA -0.346 3.825 4.170 0.001 0.000 0.248 409 I C 2.614 178.872 176.117 0.235 0.000 1.111 409 I CA 1.442 62.968 61.300 0.378 0.000 1.382 409 I CB -0.378 37.846 38.000 0.374 0.000 1.060 409 I HN 0.521 nan 8.210 nan 0.000 0.418 410 Q N 0.510 120.405 119.800 0.158 0.000 2.152 410 Q HA -0.281 4.060 4.340 0.001 0.000 0.206 410 Q C 1.765 177.789 176.000 0.039 0.000 0.985 410 Q CA 1.859 57.715 55.803 0.090 0.000 0.863 410 Q CB 0.120 28.897 28.738 0.066 0.000 0.904 410 Q HN 0.579 nan 8.270 nan 0.000 0.422 411 Q N -2.013 117.806 119.800 0.032 0.000 2.214 411 Q HA 0.213 4.554 4.340 0.001 0.000 0.229 411 Q C -1.058 174.606 176.000 -0.559 0.000 0.835 411 Q CA -0.205 55.441 55.803 -0.262 0.000 0.953 411 Q CB 1.158 29.703 28.738 -0.323 0.000 1.131 411 Q HN 0.067 nan 8.270 nan 0.000 0.501 412 F N -0.035 120.042 119.950 0.213 0.000 2.588 412 F HA 0.301 4.829 4.527 0.001 0.000 0.318 412 F C -0.543 175.484 175.800 0.378 0.000 1.155 412 F CA -1.355 56.814 58.000 0.282 0.000 0.967 412 F CB 1.811 40.995 39.000 0.306 0.000 1.236 412 F HN -0.223 nan 8.300 nan 0.000 0.455 413 D N 1.516 122.185 120.400 0.449 0.000 2.383 413 D HA 0.577 5.218 4.640 0.001 0.000 0.248 413 D C -1.139 175.449 176.300 0.480 0.000 1.170 413 D CA 0.553 54.747 54.000 0.324 0.000 0.977 413 D CB 0.860 41.773 40.800 0.188 0.000 1.120 413 D HN 0.494 nan 8.370 nan 0.000 0.481 414 W N -1.244 120.143 121.300 0.144 0.000 3.248 414 W HA 0.569 5.230 4.660 0.001 0.000 0.311 414 W C -1.885 174.656 176.519 0.037 0.000 1.258 414 W CA -0.821 56.505 57.345 -0.031 0.000 1.191 414 W CB 0.408 29.838 29.460 -0.049 0.000 1.389 414 W HN 0.101 nan 8.180 nan 0.000 0.561 415 T N 3.748 118.404 114.554 0.170 0.000 2.824 415 T HA 0.529 4.879 4.350 0.001 0.000 0.282 415 T C 0.303 175.088 174.700 0.141 0.000 0.993 415 T CA -0.711 61.474 62.100 0.142 0.000 0.967 415 T CB 1.055 70.061 68.868 0.229 0.000 0.960 415 T HN 0.482 nan 8.240 nan 0.000 0.441 416 L N 2.153 123.461 121.223 0.142 0.000 2.456 416 L HA 0.434 4.775 4.340 0.001 0.000 0.246 416 L C 0.087 176.992 176.870 0.057 0.000 1.238 416 L CA -0.709 54.196 54.840 0.109 0.000 0.826 416 L CB 0.042 42.168 42.059 0.111 0.000 1.150 416 L HN 0.382 nan 8.230 nan 0.000 0.514 417 L N 0.351 121.596 121.223 0.037 0.000 2.334 417 L HA 0.452 4.793 4.340 0.001 0.000 0.273 417 L C -2.256 174.628 176.870 0.023 0.000 1.013 417 L CA -1.978 52.877 54.840 0.025 0.000 0.816 417 L CB 1.569 43.635 42.059 0.011 0.000 1.278 417 L HN 0.334 nan 8.230 nan 0.000 0.431 418 P HA 0.294 nan 4.420 nan 0.000 0.275 418 P C 0.633 177.940 177.300 0.013 0.000 1.228 418 P CA 0.157 63.265 63.100 0.015 0.000 0.786 418 P CB 1.280 32.987 31.700 0.011 0.000 0.927 419 G N 0.974 109.782 108.800 0.012 0.000 2.317 419 G HA2 -0.228 3.733 3.960 0.001 0.000 0.227 419 G HA3 -0.228 3.733 3.960 0.001 0.000 0.227 419 G C 0.127 175.034 174.900 0.012 0.000 1.042 419 G CA 0.176 45.282 45.100 0.011 0.000 0.623 419 G HN 0.834 nan 8.290 nan 0.000 0.509 420 Q N 1.049 120.858 119.800 0.015 0.000 2.330 420 Q HA 0.377 4.718 4.340 0.001 0.000 0.279 420 Q C -0.011 175.998 176.000 0.016 0.000 1.024 420 Q CA -0.038 55.775 55.803 0.016 0.000 0.900 420 Q CB 0.530 29.280 28.738 0.020 0.000 1.221 420 Q HN 0.252 nan 8.270 nan 0.000 0.396 421 N N 3.508 122.215 118.700 0.012 0.000 2.400 421 N HA 0.028 4.768 4.740 0.001 0.000 0.267 421 N C -0.404 175.112 175.510 0.009 0.000 1.208 421 N CA -0.292 52.763 53.050 0.009 0.000 0.951 421 N CB 0.449 38.938 38.487 0.003 0.000 1.227 421 N HN 0.696 nan 8.380 nan 0.000 0.488 422 L N 1.124 122.356 121.223 0.015 0.000 2.700 422 L HA 0.449 4.790 4.340 0.001 0.000 0.234 422 L C 0.790 177.668 176.870 0.013 0.000 1.156 422 L CA -0.291 54.561 54.840 0.020 0.000 0.946 422 L CB -0.760 41.319 42.059 0.035 0.000 1.216 422 L HN 0.368 nan 8.230 nan 0.000 0.493 423 E N 1.549 121.753 120.200 0.007 0.000 2.422 423 E HA 0.187 4.538 4.350 0.001 0.000 0.260 423 E C -0.848 175.746 176.600 -0.010 0.000 1.108 423 E CA -0.187 56.215 56.400 0.003 0.000 0.943 423 E CB 0.614 30.315 29.700 0.003 0.000 0.961 423 E HN 0.415 nan 8.360 nan 0.000 0.443 424 L N 3.309 124.526 121.223 -0.011 0.000 2.307 424 L HA 0.327 4.668 4.340 0.001 0.000 0.284 424 L C -0.581 176.269 176.870 -0.034 0.000 1.023 424 L CA -1.142 53.682 54.840 -0.027 0.000 0.810 424 L CB 1.712 43.764 42.059 -0.013 0.000 1.231 424 L HN 0.309 nan 8.230 nan 0.000 0.423 425 V N 3.367 123.245 119.914 -0.061 0.000 2.461 425 V HA 0.098 4.219 4.120 0.001 0.000 0.275 425 V C 1.013 177.073 176.094 -0.056 0.000 1.047 425 V CA -0.583 61.682 62.300 -0.059 0.000 0.955 425 V CB 1.384 33.159 31.823 -0.080 0.000 0.988 425 V HN 0.661 nan 8.190 nan 0.000 0.471 426 V N 2.305 122.196 119.914 -0.038 0.000 2.951 426 V HA 0.010 4.131 4.120 0.001 0.000 0.255 426 V C 1.101 177.170 176.094 -0.042 0.000 1.088 426 V CA 1.168 63.450 62.300 -0.031 0.000 1.109 426 V CB -0.636 31.179 31.823 -0.014 0.000 0.724 426 V HN 1.008 nan 8.190 nan 0.000 0.471 427 T N -1.656 112.866 114.554 -0.053 0.000 2.807 427 T HA 0.508 4.859 4.350 0.001 0.000 0.279 427 T C -1.216 173.457 174.700 -0.046 0.000 0.993 427 T CA -1.507 60.554 62.100 -0.065 0.000 0.970 427 T CB 2.094 70.909 68.868 -0.089 0.000 0.950 427 T HN 0.106 nan 8.240 nan 0.000 0.441 428 P HA 0.191 nan 4.420 nan 0.000 0.219 428 P C 0.274 177.563 177.300 -0.018 0.000 1.154 428 P CA 0.076 63.151 63.100 -0.041 0.000 0.826 428 P CB 0.406 32.120 31.700 0.024 0.000 0.795 429 S N 0.186 115.898 115.700 0.021 0.000 2.513 429 S HA 0.518 4.989 4.470 0.001 0.000 0.299 429 S C -2.731 171.873 174.600 0.007 0.000 1.087 429 S CA -1.361 56.858 58.200 0.031 0.000 1.012 429 S CB 1.587 64.841 63.200 0.088 0.000 1.044 429 S HN -0.116 nan 8.310 nan 0.000 0.485 430 P HA 0.106 nan 4.420 nan 0.000 0.262 430 P C -0.677 176.607 177.300 -0.027 0.000 1.182 430 P CA 0.281 63.371 63.100 -0.017 0.000 0.761 430 P CB 0.231 31.932 31.700 0.002 0.000 0.795 431 R N 4.375 124.801 120.500 -0.123 0.000 2.522 431 R HA 0.296 4.637 4.340 0.001 0.000 0.273 431 R C -3.101 173.081 176.300 -0.197 0.000 1.133 431 R CA -1.995 53.928 56.100 -0.296 0.000 0.969 431 R CB 1.714 31.540 30.300 -0.791 0.000 1.235 431 R HN 0.189 nan 8.270 nan 0.000 0.433 432 P HA -0.021 nan 4.420 nan 0.000 0.262 432 P C -0.184 177.066 177.300 -0.082 0.000 1.182 432 P CA 0.104 63.172 63.100 -0.053 0.000 0.761 432 P CB 0.786 32.493 31.700 0.012 0.000 0.795 433 K N 2.259 122.626 120.400 -0.055 0.000 2.063 433 K HA -0.175 4.146 4.320 0.001 0.000 0.208 433 K C 1.711 178.292 176.600 -0.032 0.000 1.048 433 K CA 2.342 58.598 56.287 -0.050 0.000 0.928 433 K CB -0.732 31.750 32.500 -0.030 0.000 0.713 433 K HN 0.609 nan 8.250 nan 0.000 0.442 434 D N 1.849 122.243 120.400 -0.010 0.000 2.324 434 D HA -0.038 4.603 4.640 0.001 0.000 0.235 434 D C 0.340 176.654 176.300 0.023 0.000 1.095 434 D CA 0.354 54.358 54.000 0.007 0.000 0.871 434 D CB -1.045 39.764 40.800 0.014 0.000 0.906 434 D HN 0.406 nan 8.370 nan 0.000 0.522 435 N N 0.379 119.084 118.700 0.009 0.000 2.701 435 N HA -0.264 4.477 4.740 0.001 0.000 0.252 435 N C 0.440 176.029 175.510 0.132 0.000 1.002 435 N CA 0.775 53.858 53.050 0.055 0.000 0.758 435 N CB -2.219 36.308 38.487 0.068 0.000 0.937 435 N HN 0.907 nan 8.380 nan 0.000 0.538 436 L N -3.615 117.672 121.223 0.107 0.000 3.052 436 L HA -0.230 4.111 4.340 0.001 0.000 0.652 436 L C 0.564 177.495 176.870 0.102 0.000 1.019 436 L CA 1.840 56.764 54.840 0.139 0.000 1.317 436 L CB -1.799 40.394 42.059 0.223 0.000 1.728 436 L HN 0.968 nan 8.230 nan 0.000 0.839 437 R N 2.853 123.376 120.500 0.037 0.000 2.604 437 R HA 0.923 5.264 4.340 0.001 0.000 0.287 437 R C -0.700 175.552 176.300 -0.079 0.000 0.970 437 R CA 0.144 56.219 56.100 -0.041 0.000 0.946 437 R CB 2.239 32.524 30.300 -0.024 0.000 1.127 437 R HN 0.417 nan 8.270 nan 0.000 0.473 438 V N -0.237 119.559 119.914 -0.197 0.000 3.225 438 V HA 0.850 4.971 4.120 0.001 0.000 0.293 438 V C -0.870 175.036 176.094 -0.313 0.000 1.405 438 V CA -0.445 61.690 62.300 -0.276 0.000 1.038 438 V CB 2.156 33.623 31.823 -0.593 0.000 1.123 438 V HN 1.334 nan 8.190 nan 0.000 0.447 439 K N 2.895 123.141 120.400 -0.255 0.000 2.427 439 K HA 0.924 5.245 4.320 0.001 0.000 0.252 439 K C -1.514 174.772 176.600 -0.523 0.000 0.931 439 K CA -0.487 55.623 56.287 -0.296 0.000 0.793 439 K CB 1.861 34.304 32.500 -0.094 0.000 1.211 439 K HN 0.671 nan 8.250 nan 0.000 0.426 440 L N 3.326 124.266 121.223 -0.472 0.000 2.307 440 L HA 0.616 4.957 4.340 0.001 0.000 0.284 440 L C -0.207 176.619 176.870 -0.074 0.000 1.023 440 L CA -0.984 53.665 54.840 -0.318 0.000 0.810 440 L CB 1.428 43.241 42.059 -0.410 0.000 1.231 440 L HN 0.959 nan 8.230 nan 0.000 0.423 441 H N 0.000 119.336 119.070 0.443 0.000 2.539 441 H HA 0.000 4.557 4.556 0.001 0.000 0.296 441 H CA 0.000 56.227 56.048 0.298 0.000 1.023 441 H CB 0.000 29.865 29.762 0.172 0.000 1.292 441 H HN 0.000 nan 8.280 nan 0.000 0.496