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_B 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 HS 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 0.000 176.837 176.870 -0.055 0.000 1.165 11 L CA 0.000 54.766 54.840 -0.123 0.000 0.813 11 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 12 P HA 0.374 nan 4.420 nan 0.000 0.294 12 P C -0.761 176.718 177.300 0.298 0.000 1.294 12 P CA -0.183 63.002 63.100 0.141 0.000 0.827 12 P CB 1.116 32.880 31.700 0.108 0.000 0.992 13 I N 0.272 120.963 120.570 0.201 0.000 2.581 13 I HA 0.453 4.623 4.170 0.001 0.000 0.288 13 I C -2.395 173.743 176.117 0.035 0.000 1.047 13 I CA -2.777 58.570 61.300 0.079 0.000 1.374 13 I CB 0.007 37.990 38.000 -0.028 0.000 1.423 13 I HN 0.088 nan 8.210 nan 0.000 0.549 14 P HA 0.107 nan 4.420 nan 0.000 0.267 14 P C -2.431 174.714 177.300 -0.258 0.000 1.201 14 P CA -0.522 62.200 63.100 -0.631 0.000 0.775 14 P CB -0.315 30.909 31.700 -0.793 0.000 0.854 15 P HA 0.330 nan 4.420 nan 0.000 0.274 15 P C -0.057 176.919 177.300 -0.540 0.000 1.246 15 P CA 0.337 63.342 63.100 -0.158 0.000 0.795 15 P CB 0.572 32.350 31.700 0.130 0.000 1.006 16 G N 0.341 108.481 108.800 -1.100 0.000 2.375 16 G HA2 0.008 3.969 3.960 0.001 0.000 0.663 16 G HA3 0.008 3.969 3.960 0.001 0.000 0.663 16 G C -1.900 172.454 174.900 -0.911 0.000 1.391 16 G CA -0.800 43.306 45.100 -1.657 0.000 0.949 16 G HN 0.471 nan 8.290 nan 0.000 0.646 17 D N 0.683 120.691 120.400 -0.654 0.000 2.317 17 D HA 0.382 5.023 4.640 0.001 0.000 0.234 17 D C 1.096 177.287 176.300 -0.181 0.000 1.112 17 D CA -0.355 53.465 54.000 -0.301 0.000 0.840 17 D CB 1.084 41.834 40.800 -0.082 0.000 1.078 17 D HN 0.277 nan 8.370 nan 0.000 0.486 18 F N 1.666 121.554 119.950 -0.104 0.000 2.216 18 F HA -0.084 4.444 4.527 0.001 0.000 0.300 18 F C 2.070 177.821 175.800 -0.082 0.000 1.085 18 F CA 0.878 58.809 58.000 -0.115 0.000 1.326 18 F CB 0.117 39.047 39.000 -0.118 0.000 1.027 18 F HN 0.596 nan 8.300 nan 0.000 0.497 19 G N 0.884 109.766 108.800 0.136 0.000 2.598 19 G HA2 -0.325 3.635 3.960 0.001 0.000 0.244 19 G HA3 -0.325 3.635 3.960 0.001 0.000 0.244 19 G C -0.665 174.277 174.900 0.071 0.000 1.302 19 G CA -0.602 44.547 45.100 0.081 0.000 0.903 19 G HN 0.142 nan 8.290 nan 0.000 0.575 20 L N 3.286 124.538 121.223 0.048 0.000 2.554 20 L HA 0.314 4.655 4.340 0.001 0.000 0.293 20 L C -1.004 175.885 176.870 0.032 0.000 1.252 20 L CA -0.043 54.824 54.840 0.045 0.000 0.862 20 L CB -0.225 41.865 42.059 0.052 0.000 1.113 20 L HN 0.566 nan 8.230 nan 0.000 0.510 21 P HA -0.072 nan 4.420 nan 0.000 0.269 21 P C 0.157 177.541 177.300 0.140 0.000 1.209 21 P CA 0.038 63.157 63.100 0.031 0.000 0.776 21 P CB 0.335 32.058 31.700 0.038 0.000 0.876 22 W N 2.099 123.338 121.300 -0.103 0.000 1.454 22 W HA -0.373 4.288 4.660 0.001 0.000 0.283 22 W C 1.799 178.262 176.519 -0.094 0.000 1.743 22 W CA 2.259 59.550 57.345 -0.090 0.000 2.157 22 W CB -2.036 27.389 29.460 -0.059 0.000 1.053 22 W HN 0.297 nan 8.180 nan 0.000 0.449 23 L N 1.322 122.697 121.223 0.253 0.000 2.141 23 L HA 0.209 4.549 4.340 0.001 0.000 0.209 23 L C 2.141 178.939 176.870 -0.120 0.000 1.094 23 L CA 3.254 58.163 54.840 0.116 0.000 0.763 23 L CB -1.268 40.904 42.059 0.189 0.000 0.908 23 L HN 0.817 nan 8.230 nan 0.000 0.437 24 G N -0.363 108.389 108.800 -0.080 0.000 2.611 24 G HA2 -0.407 3.553 3.960 0.001 0.000 0.301 24 G HA3 -0.407 3.553 3.960 0.001 0.000 0.301 24 G C 0.645 175.537 174.900 -0.014 0.000 1.233 24 G CA 0.568 45.630 45.100 -0.063 0.000 0.993 24 G HN 0.453 nan 8.290 nan 0.000 0.553 25 E N 0.511 120.721 120.200 0.016 0.000 2.451 25 E HA 0.221 4.571 4.350 0.001 0.000 0.194 25 E C 2.142 178.782 176.600 0.068 0.000 1.027 25 E CA 0.505 56.970 56.400 0.109 0.000 0.914 25 E CB 0.093 29.947 29.700 0.258 0.000 1.054 25 E HN 0.451 nan 8.360 nan 0.000 0.461 26 T N 1.695 116.175 114.554 -0.123 0.000 2.653 26 T HA -0.235 4.115 4.350 0.001 0.000 0.267 26 T C 1.784 176.412 174.700 -0.119 0.000 1.037 26 T CA 1.345 63.273 62.100 -0.287 0.000 1.159 26 T CB -0.173 68.292 68.868 -0.672 0.000 0.859 26 T HN 0.237 nan 8.240 nan 0.000 0.449 27 L N 0.898 122.086 121.223 -0.058 0.000 2.275 27 L HA -0.044 4.297 4.340 0.001 0.000 0.215 27 L C 2.428 179.318 176.870 0.033 0.000 1.119 27 L CA 0.767 55.601 54.840 -0.009 0.000 0.790 27 L CB -0.533 41.531 42.059 0.007 0.000 0.919 27 L HN 0.251 nan 8.230 nan 0.000 0.443 28 N N -0.189 118.573 118.700 0.103 0.000 2.250 28 N HA -0.145 4.596 4.740 0.001 0.000 0.181 28 N C 1.775 177.362 175.510 0.128 0.000 1.017 28 N CA 0.972 54.144 53.050 0.203 0.000 0.866 28 N CB -0.250 38.471 38.487 0.391 0.000 0.985 28 N HN 0.208 nan 8.380 nan 0.000 0.429 29 F N 2.494 122.215 119.950 -0.381 0.000 2.102 29 F HA -0.023 4.504 4.527 0.001 0.000 0.298 29 F C 2.082 177.690 175.800 -0.320 0.000 1.105 29 F CA 1.045 58.529 58.000 -0.859 0.000 1.239 29 F CB -0.503 38.001 39.000 -0.826 0.000 0.991 29 F HN -0.112 nan 8.300 nan 0.000 0.474 30 L N -0.027 121.040 121.223 -0.259 0.000 2.046 30 L HA -0.237 4.104 4.340 0.001 0.000 0.208 30 L C 2.421 179.198 176.870 -0.154 0.000 1.077 30 L CA 1.857 56.565 54.840 -0.220 0.000 0.747 30 L CB -0.743 41.289 42.059 -0.045 0.000 0.896 30 L HN 0.355 nan 8.230 nan 0.000 0.432 31 N N -1.096 117.556 118.700 -0.079 0.000 2.439 31 N HA -0.050 4.691 4.740 0.001 0.000 0.176 31 N C -0.258 175.243 175.510 -0.015 0.000 1.029 31 N CA 0.202 53.232 53.050 -0.032 0.000 0.886 31 N CB 0.623 39.111 38.487 0.002 0.000 1.057 31 N HN 0.156 nan 8.380 nan 0.000 0.437 32 D N -0.251 120.162 120.400 0.021 0.000 2.280 32 D HA 0.219 4.860 4.640 0.001 0.000 0.236 32 D C 0.874 177.219 176.300 0.076 0.000 1.082 32 D CA -0.298 53.745 54.000 0.071 0.000 0.834 32 D CB 1.614 42.500 40.800 0.143 0.000 1.100 32 D HN 0.233 nan 8.370 nan 0.000 0.486 33 G N 1.888 110.716 108.800 0.046 0.000 2.414 33 G HA2 -0.162 3.799 3.960 0.001 0.000 0.215 33 G HA3 -0.162 3.799 3.960 0.001 0.000 0.215 33 G C 0.415 175.364 174.900 0.082 0.000 1.188 33 G CA 0.358 45.481 45.100 0.039 0.000 0.783 33 G HN 0.424 nan 8.290 nan 0.000 0.537 34 D N 0.189 120.636 120.400 0.077 0.000 2.564 34 D HA 0.221 4.861 4.640 0.001 0.000 0.226 34 D C 0.242 176.597 176.300 0.091 0.000 1.149 34 D CA -0.481 53.564 54.000 0.076 0.000 0.994 34 D CB 0.816 41.633 40.800 0.029 0.000 1.029 34 D HN 0.230 nan 8.370 nan 0.000 0.517 35 F N 0.989 120.934 119.950 -0.009 0.000 2.262 35 F HA 0.167 4.694 4.527 0.001 0.000 0.292 35 F C 2.091 177.831 175.800 -0.101 0.000 1.081 35 F CA 0.730 58.715 58.000 -0.023 0.000 1.355 35 F CB 0.292 39.333 39.000 0.068 0.000 1.069 35 F HN 0.222 nan 8.300 nan 0.000 0.506 36 G N 0.255 109.101 108.800 0.076 0.000 2.408 36 G HA2 -0.164 3.796 3.960 0.001 0.000 0.215 36 G HA3 -0.164 3.796 3.960 0.001 0.000 0.215 36 G C 1.525 176.371 174.900 -0.091 0.000 1.156 36 G CA 0.365 45.463 45.100 -0.004 0.000 0.793 36 G HN 0.300 nan 8.290 nan 0.000 0.535 37 K N 0.005 120.382 120.400 -0.038 0.000 2.418 37 K HA 0.151 4.472 4.320 0.001 0.000 0.195 37 K C 2.118 178.647 176.600 -0.119 0.000 1.035 37 K CA 0.376 56.636 56.287 -0.044 0.000 1.003 37 K CB 0.215 32.719 32.500 0.008 0.000 0.793 37 K HN 0.174 nan 8.250 nan 0.000 0.494 38 K N -0.024 120.260 120.400 -0.193 0.000 2.284 38 K HA 0.080 4.401 4.320 0.001 0.000 0.198 38 K C 1.329 177.717 176.600 -0.352 0.000 1.048 38 K CA 0.441 56.590 56.287 -0.230 0.000 0.987 38 K CB 0.356 32.740 32.500 -0.194 0.000 0.800 38 K HN -0.071 nan 8.250 nan 0.000 0.486 39 R N 0.579 120.755 120.500 -0.540 0.000 2.335 39 R HA 0.087 4.428 4.340 0.001 0.000 0.223 39 R C 1.297 177.234 176.300 -0.604 0.000 0.940 39 R CA 0.346 56.003 56.100 -0.737 0.000 1.086 39 R CB 0.268 29.690 30.300 -1.463 0.000 1.073 39 R HN 0.208 nan 8.270 nan 0.000 0.504 40 Q N -0.887 118.714 119.800 -0.332 0.000 2.422 40 Q HA 0.102 4.443 4.340 0.001 0.000 0.255 40 Q C 0.578 176.505 176.000 -0.121 0.000 0.864 40 Q CA -0.005 55.728 55.803 -0.116 0.000 0.968 40 Q CB 0.729 29.475 28.738 0.013 0.000 1.130 40 Q HN 0.133 nan 8.270 nan 0.000 0.556 41 Q N 0.989 120.695 119.800 -0.157 0.000 2.271 41 Q HA -0.005 4.336 4.340 0.001 0.000 0.206 41 Q C 0.360 176.199 176.000 -0.269 0.000 0.860 41 Q CA 0.890 56.595 55.803 -0.163 0.000 0.991 41 Q CB 0.262 28.921 28.738 -0.132 0.000 1.232 41 Q HN 0.431 nan 8.270 nan 0.000 0.410 42 Q N -2.294 117.290 119.800 -0.361 0.000 2.172 42 Q HA 0.067 4.408 4.340 0.001 0.000 0.159 42 Q C 0.194 175.771 176.000 -0.704 0.000 0.653 42 Q CA 0.188 55.584 55.803 -0.678 0.000 0.896 42 Q CB 0.515 28.598 28.738 -1.092 0.000 1.149 42 Q HN 0.332 nan 8.270 nan 0.000 0.333 43 F N 0.368 120.256 119.950 -0.104 0.000 2.706 43 F HA 0.423 4.951 4.527 0.001 0.000 0.313 43 F C 1.155 176.990 175.800 0.058 0.000 1.096 43 F CA 0.598 58.584 58.000 -0.023 0.000 1.219 43 F CB 1.304 40.290 39.000 -0.024 0.000 1.051 43 F HN 0.319 nan 8.300 nan 0.000 0.568 44 G N 1.902 110.798 108.800 0.160 0.000 2.498 44 G HA2 -0.256 3.705 3.960 0.001 0.000 0.245 44 G HA3 -0.256 3.705 3.960 0.001 0.000 0.245 44 G C -1.833 173.220 174.900 0.256 0.000 1.204 44 G CA -0.057 45.146 45.100 0.171 0.000 0.933 44 G HN 0.058 nan 8.290 nan 0.000 0.574 45 P HA 0.227 nan 4.420 nan 0.000 0.222 45 P C 0.931 178.380 177.300 0.249 0.000 1.157 45 P CA 1.083 64.330 63.100 0.245 0.000 0.816 45 P CB 0.329 32.153 31.700 0.206 0.000 0.813 46 I N 0.974 121.678 120.570 0.224 0.000 2.621 46 I HA 0.247 4.417 4.170 0.001 0.000 0.276 46 I C -0.269 175.828 176.117 -0.033 0.000 1.118 46 I CA -1.232 60.115 61.300 0.078 0.000 1.159 46 I CB 0.246 38.290 38.000 0.073 0.000 1.357 46 I HN -0.188 nan 8.210 nan 0.000 0.513 47 F N 4.606 124.549 119.950 -0.012 0.000 2.432 47 F HA 0.711 5.239 4.527 0.001 0.000 0.329 47 F C 0.108 175.842 175.800 -0.109 0.000 1.076 47 F CA -0.903 57.040 58.000 -0.095 0.000 1.018 47 F CB 0.824 39.815 39.000 -0.015 0.000 1.201 47 F HN 0.231 nan 8.300 nan 0.000 0.489 48 K N 1.526 121.910 120.400 -0.026 0.000 2.139 48 K HA 0.803 5.124 4.320 0.001 0.000 0.243 48 K C -0.948 175.698 176.600 0.078 0.000 0.983 48 K CA -0.539 55.732 56.287 -0.027 0.000 0.890 48 K CB 1.890 34.356 32.500 -0.058 0.000 1.090 48 K HN 0.933 nan 8.250 nan 0.000 0.445 49 T N -0.790 113.830 114.554 0.111 0.000 2.637 49 T HA 0.375 4.726 4.350 0.001 0.000 0.303 49 T C -1.855 172.920 174.700 0.126 0.000 1.288 49 T CA -0.962 61.225 62.100 0.144 0.000 1.040 49 T CB 1.287 70.358 68.868 0.338 0.000 1.644 49 T HN 0.742 nan 8.240 nan 0.000 0.480 50 R N 1.245 121.797 120.500 0.087 0.000 2.522 50 R HA 0.693 5.034 4.340 0.001 0.000 0.283 50 R C -2.028 174.177 176.300 -0.158 0.000 1.074 50 R CA -0.595 55.458 56.100 -0.078 0.000 0.925 50 R CB 0.939 31.174 30.300 -0.109 0.000 1.205 50 R HN 0.554 nan 8.270 nan 0.000 0.436 51 L N 5.564 126.631 121.223 -0.260 0.000 2.438 51 L HA 0.520 4.860 4.340 0.001 0.000 0.270 51 L C -0.446 176.203 176.870 -0.368 0.000 0.972 51 L CA -0.893 53.739 54.840 -0.347 0.000 0.831 51 L CB 1.799 43.669 42.059 -0.315 0.000 1.273 51 L HN 0.769 nan 8.230 nan 0.000 0.405 52 F N 2.242 121.879 119.950 -0.522 0.000 3.048 52 F HA -0.243 4.285 4.527 0.001 0.000 0.269 52 F C 1.453 176.419 175.800 -1.391 0.000 0.960 52 F CA 1.046 58.540 58.000 -0.843 0.000 0.909 52 F CB -1.477 37.322 39.000 -0.335 0.000 0.837 52 F HN 0.934 nan 8.300 nan 0.000 0.768 53 G N -0.637 107.189 108.800 -1.623 0.000 2.143 53 G HA2 -0.286 3.674 3.960 0.001 0.000 0.248 53 G HA3 -0.286 3.674 3.960 0.001 0.000 0.248 53 G C 0.002 174.507 174.900 -0.659 0.000 0.991 53 G CA 0.127 44.299 45.100 -1.547 0.000 0.689 53 G HN 0.346 nan 8.290 nan 0.000 0.522 54 K N 0.465 120.551 120.400 -0.523 0.000 2.443 54 K HA 0.321 4.641 4.320 0.001 0.000 0.252 54 K C -0.326 176.003 176.600 -0.450 0.000 0.933 54 K CA -0.906 55.147 56.287 -0.390 0.000 0.792 54 K CB 1.269 33.619 32.500 -0.249 0.000 1.185 54 K HN 0.171 nan 8.250 nan 0.000 0.425 55 N N 1.248 119.553 118.700 -0.658 0.000 2.518 55 N HA 0.237 4.978 4.740 0.001 0.000 0.266 55 N C -0.424 174.798 175.510 -0.480 0.000 1.196 55 N CA -0.135 52.407 53.050 -0.846 0.000 0.947 55 N CB 1.152 38.424 38.487 -2.025 0.000 1.098 55 N HN 0.143 nan 8.380 nan 0.000 0.450 56 V N 2.416 122.198 119.914 -0.220 0.000 2.733 56 V HA 0.443 4.563 4.120 0.001 0.000 0.306 56 V C -0.082 176.022 176.094 0.017 0.000 1.084 56 V CA -0.716 61.557 62.300 -0.045 0.000 0.905 56 V CB 1.915 33.721 31.823 -0.028 0.000 1.010 56 V HN 0.465 nan 8.190 nan 0.000 0.424 57 I N 4.081 124.600 120.570 -0.085 0.000 2.354 57 I HA 0.447 4.617 4.170 0.001 0.000 0.292 57 I C -0.953 174.942 176.117 -0.370 0.000 0.989 57 I CA -0.159 61.005 61.300 -0.226 0.000 1.188 57 I CB 1.452 39.164 38.000 -0.480 0.000 1.342 57 I HN 0.452 nan 8.210 nan 0.000 0.457 58 F N 7.474 127.064 119.950 -0.601 0.000 2.309 58 F HA 0.401 4.929 4.527 0.001 0.000 0.366 58 F C 0.592 176.146 175.800 -0.411 0.000 1.104 58 F CA -0.617 57.000 58.000 -0.638 0.000 1.179 58 F CB 0.345 38.640 39.000 -1.175 0.000 1.437 58 F HN 0.246 nan 8.300 nan 0.000 0.528 59 I N 0.133 120.666 120.570 -0.060 0.000 2.797 59 I HA 0.856 5.027 4.170 0.001 0.000 0.310 59 I C -0.047 176.121 176.117 0.084 0.000 0.990 59 I CA -0.492 60.859 61.300 0.085 0.000 1.228 59 I CB 1.900 40.001 38.000 0.168 0.000 1.406 59 I HN 0.420 nan 8.210 nan 0.000 0.534 60 S N 1.703 117.488 115.700 0.141 0.000 2.587 60 S HA 0.834 5.305 4.470 0.001 0.000 0.269 60 S C -0.355 174.347 174.600 0.169 0.000 1.154 60 S CA -0.123 58.163 58.200 0.145 0.000 0.824 60 S CB 0.993 64.289 63.200 0.160 0.000 1.118 60 S HN 2.319 nan 8.310 nan 0.000 0.462 61 G N 0.496 109.402 108.800 0.177 0.000 2.710 61 G HA2 0.393 4.354 3.960 0.001 0.000 0.668 61 G HA3 0.393 4.354 3.960 0.001 0.000 0.668 61 G C 0.774 175.780 174.900 0.177 0.000 1.320 61 G CA 0.042 45.259 45.100 0.195 0.000 0.860 61 G HN 1.982 nan 8.290 nan 0.000 0.538 62 A N -0.838 122.101 122.820 0.198 0.000 1.940 62 A HA 0.108 4.429 4.320 0.001 0.000 0.219 62 A C 2.609 180.305 177.584 0.186 0.000 1.176 62 A CA 2.741 54.910 52.037 0.220 0.000 0.631 62 A CB -0.301 18.825 19.000 0.209 0.000 0.814 62 A HN 1.483 nan 8.150 nan 0.000 0.446 63 L N -0.820 120.522 121.223 0.199 0.000 2.095 63 L HA 0.043 4.383 4.340 0.001 0.000 0.204 63 L C 2.862 179.827 176.870 0.159 0.000 1.080 63 L CA 1.619 56.614 54.840 0.259 0.000 0.759 63 L CB -0.634 41.629 42.059 0.339 0.000 0.914 63 L HN 0.364 nan 8.230 nan 0.000 0.439 64 A N -0.138 122.739 122.820 0.095 0.000 1.873 64 A HA -0.282 4.039 4.320 0.001 0.000 0.218 64 A C 2.082 179.373 177.584 -0.487 0.000 1.193 64 A CA 2.211 54.055 52.037 -0.322 0.000 0.629 64 A CB -0.857 18.104 19.000 -0.065 0.000 0.826 64 A HN 0.551 nan 8.150 nan 0.000 0.447 65 N N -0.491 117.961 118.700 -0.415 0.000 2.043 65 N HA -0.196 4.545 4.740 0.001 0.000 0.193 65 N C 1.812 176.651 175.510 -1.118 0.000 1.037 65 N CA 1.682 54.243 53.050 -0.816 0.000 0.851 65 N CB -0.581 37.728 38.487 -0.297 0.000 1.027 65 N HN 0.626 nan 8.380 nan 0.000 0.422 66 R N -0.146 119.962 120.500 -0.654 0.000 2.096 66 R HA -0.178 4.163 4.340 0.001 0.000 0.240 66 R C 2.157 178.214 176.300 -0.404 0.000 1.139 66 R CA 1.437 57.211 56.100 -0.543 0.000 0.952 66 R CB -0.542 29.786 30.300 0.048 0.000 0.854 66 R HN 0.220 nan 8.270 nan 0.000 0.436 67 F N 1.176 120.827 119.950 -0.498 0.000 2.095 67 F HA -0.207 4.321 4.527 0.001 0.000 0.298 67 F C 1.791 177.278 175.800 -0.522 0.000 1.104 67 F CA 1.554 59.272 58.000 -0.470 0.000 1.232 67 F CB -0.486 38.021 39.000 -0.822 0.000 0.987 67 F HN 0.023 nan 8.300 nan 0.000 0.475 68 L N -0.961 119.528 121.223 -1.222 0.000 2.127 68 L HA -0.226 4.114 4.340 0.001 0.000 0.211 68 L C 1.842 177.985 176.870 -1.213 0.000 1.089 68 L CA 1.558 55.336 54.840 -1.770 0.000 0.757 68 L CB -0.818 40.070 42.059 -1.951 0.000 0.899 68 L HN 0.205 nan 8.230 nan 0.000 0.434 69 F N -1.067 118.445 119.950 -0.731 0.000 2.639 69 F HA 0.128 4.656 4.527 0.001 0.000 0.302 69 F C 0.545 176.179 175.800 -0.277 0.000 1.097 69 F CA -0.634 57.051 58.000 -0.524 0.000 1.294 69 F CB 0.446 39.034 39.000 -0.687 0.000 1.027 69 F HN -0.066 nan 8.300 nan 0.000 0.550 70 T N -0.893 113.609 114.554 -0.086 0.000 2.887 70 T HA 0.516 4.867 4.350 0.001 0.000 0.288 70 T C 0.318 175.039 174.700 0.035 0.000 1.021 70 T CA -0.632 61.481 62.100 0.021 0.000 1.000 70 T CB 1.656 70.557 68.868 0.056 0.000 1.034 70 T HN 0.091 nan 8.240 nan 0.000 0.467 71 K N 0.838 121.268 120.400 0.050 0.000 3.311 71 K HA -0.263 4.057 4.320 0.001 0.000 0.270 71 K C 0.702 177.328 176.600 0.042 0.000 0.927 71 K CA 1.981 58.289 56.287 0.036 0.000 0.706 71 K CB -2.726 29.790 32.500 0.026 0.000 1.418 71 K HN 0.945 nan 8.250 nan 0.000 0.459 72 E N -0.527 119.720 120.200 0.079 0.000 2.086 72 E HA -0.150 4.201 4.350 0.001 0.000 0.190 72 E C 2.169 178.834 176.600 0.107 0.000 0.975 72 E CA 0.551 57.048 56.400 0.161 0.000 0.813 72 E CB 0.034 29.801 29.700 0.112 0.000 0.768 72 E HN 0.748 nan 8.360 nan 0.000 0.457 73 Q N 0.670 120.505 119.800 0.059 0.000 2.029 73 Q HA -0.272 4.069 4.340 0.001 0.000 0.209 73 Q C 1.634 177.639 176.000 0.008 0.000 0.999 73 Q CA 2.391 58.217 55.803 0.039 0.000 0.857 73 Q CB -0.012 28.747 28.738 0.035 0.000 0.926 73 Q HN 0.274 nan 8.270 nan 0.000 0.415 74 E N -0.756 119.434 120.200 -0.016 0.000 2.208 74 E HA -0.077 4.274 4.350 0.001 0.000 0.193 74 E C 1.804 178.337 176.600 -0.112 0.000 0.988 74 E CA 1.679 58.051 56.400 -0.046 0.000 0.828 74 E CB 0.017 29.693 29.700 -0.039 0.000 0.763 74 E HN 0.399 nan 8.360 nan 0.000 0.478 75 T N -0.483 113.952 114.554 -0.199 0.000 2.988 75 T HA 0.179 4.530 4.350 0.001 0.000 0.240 75 T C 0.112 174.467 174.700 -0.574 0.000 1.014 75 T CA 0.329 62.139 62.100 -0.484 0.000 1.155 75 T CB 0.006 68.362 68.868 -0.852 0.000 0.872 75 T HN -0.063 nan 8.240 nan 0.000 0.440 76 F N 2.428 122.305 119.950 -0.122 0.000 2.469 76 F HA 0.529 5.057 4.527 0.001 0.000 0.332 76 F C 0.158 175.908 175.800 -0.082 0.000 1.103 76 F CA -1.276 56.654 58.000 -0.117 0.000 0.979 76 F CB 1.361 40.255 39.000 -0.176 0.000 1.137 76 F HN 0.032 nan 8.300 nan 0.000 0.463 77 Q N 1.990 121.858 119.800 0.114 0.000 2.377 77 Q HA 0.859 5.200 4.340 0.001 0.000 0.271 77 Q C -1.024 174.987 176.000 0.019 0.000 1.077 77 Q CA -1.407 54.422 55.803 0.045 0.000 0.820 77 Q CB 2.211 30.964 28.738 0.024 0.000 1.347 77 Q HN 0.762 nan 8.270 nan 0.000 0.444 78 A N 1.417 124.222 122.820 -0.026 0.000 2.448 78 A HA 0.449 4.769 4.320 0.001 0.000 0.239 78 A C -0.056 177.458 177.584 -0.118 0.000 1.080 78 A CA 0.479 52.461 52.037 -0.092 0.000 0.779 78 A CB 0.740 19.713 19.000 -0.045 0.000 1.026 78 A HN 0.719 nan 8.150 nan 0.000 0.499 79 T N 0.322 114.680 114.554 -0.327 0.000 2.956 79 T HA 0.548 4.898 4.350 0.001 0.000 0.312 79 T C -1.834 172.527 174.700 -0.565 0.000 1.151 79 T CA -0.270 61.675 62.100 -0.258 0.000 1.024 79 T CB 0.424 69.216 68.868 -0.126 0.000 1.140 79 T HN 0.617 nan 8.240 nan 0.000 0.473 80 W N 3.393 124.687 121.300 -0.010 0.000 3.033 80 W HA 0.556 5.216 4.660 0.001 0.000 0.336 80 W C -2.310 174.147 176.519 -0.103 0.000 1.173 80 W CA -1.971 55.358 57.345 -0.025 0.000 1.185 80 W CB 1.058 30.518 29.460 -0.000 0.000 1.425 80 W HN 0.521 nan 8.180 nan 0.000 0.536 81 P HA -0.038 nan 4.420 nan 0.000 0.270 81 P C 0.716 177.970 177.300 -0.076 0.000 1.223 81 P CA -0.293 62.750 63.100 -0.095 0.000 0.785 81 P CB 0.678 32.301 31.700 -0.128 0.000 0.923 82 L N 2.690 123.814 121.223 -0.164 0.000 1.990 82 L HA -0.248 4.093 4.340 0.001 0.000 0.213 82 L C 2.166 178.966 176.870 -0.117 0.000 1.072 82 L CA 2.750 57.518 54.840 -0.119 0.000 0.755 82 L CB -1.645 40.329 42.059 -0.141 0.000 0.889 82 L HN 0.504 nan 8.230 nan 0.000 0.432 83 S N -2.638 112.950 115.700 -0.186 0.000 2.383 83 S HA -0.172 4.298 4.470 0.001 0.000 0.227 83 S C 1.821 176.384 174.600 -0.062 0.000 1.026 83 S CA 1.422 59.568 58.200 -0.090 0.000 0.981 83 S CB -1.225 61.854 63.200 -0.201 0.000 0.818 83 S HN 0.576 nan 8.310 nan 0.000 0.472 84 T N 2.355 116.775 114.554 -0.223 0.000 2.737 84 T HA -0.019 4.332 4.350 0.001 0.000 0.265 84 T C 1.984 176.497 174.700 -0.312 0.000 1.038 84 T CA 1.293 63.148 62.100 -0.409 0.000 1.144 84 T CB -0.331 68.289 68.868 -0.414 0.000 0.866 84 T HN 0.403 nan 8.240 nan 0.000 0.434 85 R N 0.498 120.913 120.500 -0.142 0.000 2.112 85 R HA -0.081 4.259 4.340 0.001 0.000 0.242 85 R C 2.501 178.745 176.300 -0.093 0.000 1.137 85 R CA 1.628 57.671 56.100 -0.095 0.000 0.944 85 R CB -0.695 29.609 30.300 0.006 0.000 0.857 85 R HN 0.424 nan 8.270 nan 0.000 0.435 86 I N 0.684 121.230 120.570 -0.040 0.000 2.179 86 I HA -0.283 3.888 4.170 0.001 0.000 0.242 86 I C 2.135 178.220 176.117 -0.053 0.000 1.088 86 I CA 1.351 62.654 61.300 0.005 0.000 1.357 86 I CB -0.230 37.857 38.000 0.146 0.000 1.051 86 I HN 0.164 nan 8.210 nan 0.000 0.409 87 L N -0.071 121.086 121.223 -0.110 0.000 2.418 87 L HA -0.052 4.289 4.340 0.001 0.000 0.218 87 L C 2.261 179.077 176.870 -0.090 0.000 1.125 87 L CA 0.504 55.261 54.840 -0.139 0.000 0.835 87 L CB -0.168 41.706 42.059 -0.308 0.000 0.953 87 L HN 0.261 nan 8.230 nan 0.000 0.454 88 L N -0.668 120.429 121.223 -0.210 0.000 2.202 88 L HA 0.231 4.572 4.340 0.001 0.000 0.205 88 L C 1.158 177.970 176.870 -0.097 0.000 1.083 88 L CA 0.479 55.212 54.840 -0.178 0.000 0.790 88 L CB -0.557 41.296 42.059 -0.342 0.000 0.942 88 L HN 0.374 nan 8.230 nan 0.000 0.452 89 G N -0.071 108.671 108.800 -0.097 0.000 2.781 89 G HA2 -0.178 3.783 3.960 0.001 0.000 0.683 89 G HA3 -0.178 3.783 3.960 0.001 0.000 0.683 89 G C -2.364 172.512 174.900 -0.040 0.000 1.390 89 G CA -0.457 44.609 45.100 -0.056 0.000 0.850 89 G HN 0.011 nan 8.290 nan 0.000 0.557 90 P HA 0.063 nan 4.420 nan 0.000 0.230 90 P C 0.868 178.176 177.300 0.013 0.000 1.158 90 P CA 1.058 64.160 63.100 0.003 0.000 0.769 90 P CB 0.134 31.836 31.700 0.004 0.000 0.807 91 N N -0.840 117.862 118.700 0.005 0.000 2.351 91 N HA 0.268 5.009 4.740 0.001 0.000 0.254 91 N C -0.170 175.351 175.510 0.019 0.000 1.241 91 N CA -0.085 52.973 53.050 0.014 0.000 0.883 91 N CB 0.846 39.335 38.487 0.004 0.000 1.202 91 N HN 0.015 nan 8.380 nan 0.000 0.512 92 A N 0.083 122.918 122.820 0.025 0.000 2.320 92 A HA 0.422 4.743 4.320 0.001 0.000 0.334 92 A C 1.361 178.997 177.584 0.087 0.000 1.147 92 A CA -0.574 51.487 52.037 0.041 0.000 0.820 92 A CB 0.990 20.001 19.000 0.019 0.000 1.218 92 A HN 0.199 nan 8.150 nan 0.000 0.482 93 L N 1.158 122.449 121.223 0.113 0.000 2.051 93 L HA -0.292 4.048 4.340 0.001 0.000 0.214 93 L C 2.691 179.730 176.870 0.281 0.000 1.076 93 L CA 2.216 57.171 54.840 0.192 0.000 0.758 93 L CB -0.327 41.832 42.059 0.167 0.000 0.890 93 L HN 0.909 nan 8.230 nan 0.000 0.433 94 A N -0.943 122.011 122.820 0.224 0.000 2.015 94 A HA -0.182 4.139 4.320 0.001 0.000 0.219 94 A C 2.096 179.893 177.584 0.356 0.000 1.163 94 A CA 2.022 54.249 52.037 0.315 0.000 0.646 94 A CB -0.576 18.493 19.000 0.115 0.000 0.806 94 A HN 0.597 nan 8.150 nan 0.000 0.448 95 T N -3.083 111.572 114.554 0.168 0.000 3.022 95 T HA 0.217 4.568 4.350 0.001 0.000 0.250 95 T C 0.658 175.449 174.700 0.152 0.000 1.060 95 T CA -0.168 62.031 62.100 0.165 0.000 1.013 95 T CB -0.088 68.806 68.868 0.042 0.000 0.982 95 T HN 0.473 nan 8.240 nan 0.000 0.508 96 Q N 1.304 121.201 119.800 0.161 0.000 2.314 96 Q HA 0.454 4.795 4.340 0.001 0.000 0.258 96 Q C -0.365 175.732 176.000 0.162 0.000 0.954 96 Q CA -0.132 55.764 55.803 0.155 0.000 0.890 96 Q CB 0.795 29.631 28.738 0.162 0.000 1.210 96 Q HN 0.273 nan 8.270 nan 0.000 0.410 97 M N 0.657 120.331 119.600 0.124 0.000 2.705 97 M HA 0.378 4.858 4.480 0.001 0.000 0.311 97 M C 1.078 177.445 176.300 0.111 0.000 1.214 97 M CA -0.119 55.233 55.300 0.087 0.000 0.920 97 M CB 0.846 33.485 32.600 0.064 0.000 1.687 97 M HN 0.877 nan 8.290 nan 0.000 0.481 98 G N 1.560 110.410 108.800 0.085 0.000 2.693 98 G HA2 -0.343 3.618 3.960 0.001 0.000 0.354 98 G HA3 -0.343 3.618 3.960 0.001 0.000 0.354 98 G C 0.855 175.827 174.900 0.119 0.000 1.207 98 G CA 1.177 46.331 45.100 0.091 0.000 0.958 98 G HN 0.794 nan 8.290 nan 0.000 0.560 99 E N 0.095 120.345 120.200 0.084 0.000 2.152 99 E HA 0.039 4.390 4.350 0.001 0.000 0.192 99 E C 2.758 179.401 176.600 0.071 0.000 0.983 99 E CA 0.976 57.417 56.400 0.069 0.000 0.818 99 E CB -0.040 29.688 29.700 0.048 0.000 0.758 99 E HN 0.573 nan 8.360 nan 0.000 0.467 100 I N 0.391 121.011 120.570 0.085 0.000 2.406 100 I HA -0.224 3.947 4.170 0.001 0.000 0.249 100 I C 2.572 178.748 176.117 0.098 0.000 1.122 100 I CA 0.830 62.177 61.300 0.078 0.000 1.431 100 I CB -0.294 37.751 38.000 0.074 0.000 1.087 100 I HN 0.205 nan 8.210 nan 0.000 0.424 101 H N 2.079 121.178 119.070 0.048 0.000 2.290 101 H HA -0.209 4.347 4.556 0.001 0.000 0.298 101 H C 2.450 177.804 175.328 0.044 0.000 1.087 101 H CA 1.857 57.938 56.048 0.055 0.000 1.291 101 H CB -0.074 29.728 29.762 0.067 0.000 1.369 101 H HN 0.156 nan 8.280 nan 0.000 0.492 102 R N 0.836 121.363 120.500 0.046 0.000 2.136 102 R HA -0.184 4.157 4.340 0.001 0.000 0.242 102 R C 2.597 178.865 176.300 -0.052 0.000 1.131 102 R CA 2.152 58.243 56.100 -0.014 0.000 0.937 102 R CB -1.020 29.309 30.300 0.048 0.000 0.863 102 R HN 0.362 nan 8.270 nan 0.000 0.435 103 S N -0.159 115.532 115.700 -0.015 0.000 2.351 103 S HA -0.153 4.318 4.470 0.001 0.000 0.220 103 S C 2.056 176.639 174.600 -0.028 0.000 1.035 103 S CA 1.587 59.781 58.200 -0.010 0.000 1.031 103 S CB -0.193 63.013 63.200 0.010 0.000 0.928 103 S HN 0.406 nan 8.310 nan 0.000 0.433 104 R N 0.929 121.405 120.500 -0.040 0.000 2.115 104 R HA 0.161 4.502 4.340 0.001 0.000 0.230 104 R C 2.405 178.668 176.300 -0.062 0.000 1.111 104 R CA 1.384 57.462 56.100 -0.036 0.000 0.976 104 R CB -0.956 29.336 30.300 -0.013 0.000 0.870 104 R HN 0.486 nan 8.270 nan 0.000 0.445 105 R N 0.975 121.374 120.500 -0.168 0.000 2.091 105 R HA -0.152 4.188 4.340 0.001 0.000 0.238 105 R C 2.278 178.564 176.300 -0.022 0.000 1.136 105 R CA 2.493 58.490 56.100 -0.170 0.000 0.959 105 R CB -0.294 29.794 30.300 -0.353 0.000 0.856 105 R HN 0.244 nan 8.270 nan 0.000 0.437 106 K N 0.297 120.692 120.400 -0.009 0.000 2.116 106 K HA 0.053 4.374 4.320 0.001 0.000 0.203 106 K C 2.066 178.731 176.600 0.107 0.000 1.052 106 K CA 1.437 57.766 56.287 0.071 0.000 0.952 106 K CB -0.697 31.825 32.500 0.037 0.000 0.729 106 K HN 0.294 nan 8.250 nan 0.000 0.446 107 I N 0.678 121.280 120.570 0.053 0.000 2.090 107 I HA -0.256 3.914 4.170 0.001 0.000 0.236 107 I C 2.534 178.683 176.117 0.053 0.000 1.064 107 I CA 1.389 62.713 61.300 0.039 0.000 1.324 107 I CB -0.201 37.807 38.000 0.013 0.000 1.044 107 I HN 0.205 nan 8.210 nan 0.000 0.399 108 L N -0.472 120.790 121.223 0.066 0.000 2.081 108 L HA -0.289 4.052 4.340 0.001 0.000 0.212 108 L C 2.629 179.649 176.870 0.250 0.000 1.080 108 L CA 1.412 56.316 54.840 0.107 0.000 0.754 108 L CB -0.803 41.320 42.059 0.108 0.000 0.893 108 L HN 0.356 nan 8.230 nan 0.000 0.433 109 Y N 0.786 121.169 120.300 0.138 0.000 2.465 109 Y HA -0.229 4.322 4.550 0.001 0.000 0.289 109 Y C 2.552 178.555 175.900 0.173 0.000 1.150 109 Y CA 1.129 59.355 58.100 0.210 0.000 1.293 109 Y CB -0.230 38.277 38.460 0.079 0.000 0.977 109 Y HN 0.230 nan 8.280 nan 0.000 0.556 110 Q N -0.067 119.684 119.800 -0.082 0.000 2.167 110 Q HA -0.077 4.264 4.340 0.001 0.000 0.202 110 Q C 2.357 178.209 176.000 -0.246 0.000 0.970 110 Q CA 1.162 56.840 55.803 -0.209 0.000 0.855 110 Q CB -0.466 28.214 28.738 -0.096 0.000 0.911 110 Q HN 0.610 nan 8.270 nan 0.000 0.438 111 A N -0.625 122.043 122.820 -0.253 0.000 2.248 111 A HA -0.041 4.280 4.320 0.001 0.000 0.210 111 A C 0.850 178.045 177.584 -0.648 0.000 1.174 111 A CA 0.648 52.426 52.037 -0.431 0.000 0.750 111 A CB -0.328 18.306 19.000 -0.610 0.000 0.780 111 A HN 0.274 nan 8.150 nan 0.000 0.478 112 F N -1.255 118.604 119.950 -0.152 0.000 2.772 112 F HA 0.355 4.882 4.527 0.001 0.000 0.316 112 F C 0.230 175.867 175.800 -0.271 0.000 1.114 112 F CA -0.632 57.310 58.000 -0.098 0.000 1.191 112 F CB 0.176 39.192 39.000 0.027 0.000 1.065 112 F HN -0.091 nan 8.300 nan 0.000 0.534 113 L N 2.533 123.553 121.223 -0.340 0.000 2.485 113 L HA 0.056 4.397 4.340 0.001 0.000 0.275 113 L C -1.111 175.674 176.870 -0.142 0.000 1.207 113 L CA -1.346 53.299 54.840 -0.325 0.000 0.855 113 L CB 0.462 42.335 42.059 -0.311 0.000 1.114 113 L HN -0.114 nan 8.230 nan 0.000 0.485 114 P HA -0.206 nan 4.420 nan 0.000 0.216 114 P C 1.182 178.434 177.300 -0.080 0.000 1.157 114 P CA 1.534 64.616 63.100 -0.030 0.000 0.880 114 P CB 0.095 31.796 31.700 0.000 0.000 0.791 115 R N -1.054 119.390 120.500 -0.093 0.000 2.117 115 R HA -0.109 4.232 4.340 0.001 0.000 0.243 115 R C 2.191 178.380 176.300 -0.184 0.000 1.143 115 R CA 2.048 58.081 56.100 -0.111 0.000 0.968 115 R CB -2.272 27.972 30.300 -0.093 0.000 0.863 115 R HN 0.229 nan 8.270 nan 0.000 0.444 116 T N 1.059 115.456 114.554 -0.261 0.000 2.896 116 T HA 0.101 4.452 4.350 0.001 0.000 0.263 116 T C 1.779 175.999 174.700 -0.800 0.000 1.050 116 T CA 0.771 62.593 62.100 -0.464 0.000 1.140 116 T CB -0.116 68.492 68.868 -0.433 0.000 0.877 116 T HN 0.069 nan 8.240 nan 0.000 0.457 117 L N 1.202 122.134 121.223 -0.484 0.000 2.012 117 L HA -0.169 4.172 4.340 0.001 0.000 0.210 117 L C 2.370 179.139 176.870 -0.168 0.000 1.073 117 L CA 1.384 56.064 54.840 -0.267 0.000 0.748 117 L CB -0.757 41.314 42.059 0.019 0.000 0.891 117 L HN 0.196 nan 8.230 nan 0.000 0.431 118 D N -0.315 120.000 120.400 -0.141 0.000 2.144 118 D HA -0.168 4.472 4.640 0.001 0.000 0.199 118 D C 2.361 178.618 176.300 -0.072 0.000 0.984 118 D CA 1.612 55.567 54.000 -0.075 0.000 0.834 118 D CB -0.298 40.465 40.800 -0.062 0.000 0.955 118 D HN 0.351 nan 8.370 nan 0.000 0.465 119 S N -0.321 115.290 115.700 -0.147 0.000 2.469 119 S HA -0.184 4.287 4.470 0.001 0.000 0.238 119 S C 1.729 176.350 174.600 0.034 0.000 0.998 119 S CA 0.475 58.620 58.200 -0.093 0.000 0.957 119 S CB -0.537 62.577 63.200 -0.144 0.000 0.764 119 S HN 0.179 nan 8.310 nan 0.000 0.514 120 Y N 1.385 121.683 120.300 -0.004 0.000 2.457 120 Y HA 0.326 4.877 4.550 0.001 0.000 0.292 120 Y C 2.057 177.946 175.900 -0.018 0.000 1.125 120 Y CA -0.852 57.248 58.100 -0.001 0.000 1.254 120 Y CB -0.911 37.576 38.460 0.045 0.000 1.012 120 Y HN 0.246 nan 8.280 nan 0.000 0.555 121 L N 0.117 121.413 121.223 0.121 0.000 2.013 121 L HA -0.231 4.110 4.340 0.001 0.000 0.212 121 L C -0.278 176.613 176.870 0.036 0.000 1.073 121 L CA 1.715 56.587 54.840 0.054 0.000 0.753 121 L CB -1.559 40.514 42.059 0.025 0.000 0.890 121 L HN 0.161 nan 8.230 nan 0.000 0.432 122 P HA -0.209 nan 4.420 nan 0.000 0.214 122 P C 1.265 178.574 177.300 0.015 0.000 1.163 122 P CA 1.561 64.674 63.100 0.021 0.000 0.889 122 P CB -0.006 31.706 31.700 0.020 0.000 0.790 123 K N -1.062 119.349 120.400 0.018 0.000 2.057 123 K HA -0.087 4.234 4.320 0.001 0.000 0.206 123 K C 2.249 178.838 176.600 -0.020 0.000 1.050 123 K CA 1.326 57.609 56.287 -0.006 0.000 0.935 123 K CB -0.562 31.926 32.500 -0.019 0.000 0.715 123 K HN 0.142 nan 8.250 nan 0.000 0.439 124 M N 1.111 120.703 119.600 -0.014 0.000 2.213 124 M HA -0.197 4.283 4.480 0.001 0.000 0.263 124 M C 1.396 177.687 176.300 -0.015 0.000 1.062 124 M CA 1.700 56.978 55.300 -0.037 0.000 1.105 124 M CB 0.068 32.642 32.600 -0.043 0.000 1.385 124 M HN -0.002 nan 8.290 nan 0.000 0.417 125 D N -0.554 119.848 120.400 0.003 0.000 2.183 125 D HA -0.002 4.639 4.640 0.001 0.000 0.205 125 D C 1.900 178.213 176.300 0.021 0.000 0.962 125 D CA 1.446 55.456 54.000 0.017 0.000 0.849 125 D CB -0.240 40.571 40.800 0.018 0.000 0.978 125 D HN 0.430 nan 8.370 nan 0.000 0.488 126 G N 0.655 109.461 108.800 0.010 0.000 2.421 126 G HA2 -0.218 3.742 3.960 0.001 0.000 0.216 126 G HA3 -0.218 3.742 3.960 0.001 0.000 0.216 126 G C 1.780 176.686 174.900 0.010 0.000 1.171 126 G CA 0.735 45.838 45.100 0.006 0.000 0.775 126 G HN 0.350 nan 8.290 nan 0.000 0.543 127 I N 0.364 120.944 120.570 0.015 0.000 2.286 127 I HA -0.142 4.028 4.170 0.001 0.000 0.248 127 I C 2.689 178.868 176.117 0.105 0.000 1.115 127 I CA 0.442 61.775 61.300 0.054 0.000 1.392 127 I CB -0.144 37.867 38.000 0.019 0.000 1.065 127 I HN 0.032 nan 8.210 nan 0.000 0.418 128 V N 0.074 120.025 119.914 0.062 0.000 2.453 128 V HA -0.199 3.921 4.120 0.001 0.000 0.247 128 V C 2.425 178.574 176.094 0.092 0.000 1.048 128 V CA 1.430 63.788 62.300 0.096 0.000 1.049 128 V CB -0.567 31.329 31.823 0.121 0.000 0.672 128 V HN 0.428 nan 8.190 nan 0.000 0.457 129 Q N 0.243 120.081 119.800 0.063 0.000 2.172 129 Q HA -0.074 4.267 4.340 0.001 0.000 0.200 129 Q C 2.374 178.379 176.000 0.008 0.000 0.964 129 Q CA 1.625 57.461 55.803 0.056 0.000 0.855 129 Q CB -0.565 28.200 28.738 0.045 0.000 0.918 129 Q HN 0.679 nan 8.270 nan 0.000 0.444 130 G N -0.561 108.220 108.800 -0.031 0.000 2.402 130 G HA2 -0.244 3.717 3.960 0.001 0.000 0.216 130 G HA3 -0.244 3.717 3.960 0.001 0.000 0.216 130 G C 1.121 175.856 174.900 -0.275 0.000 1.162 130 G CA 0.352 45.372 45.100 -0.133 0.000 0.777 130 G HN 0.298 nan 8.290 nan 0.000 0.539 131 Y N 0.407 120.475 120.300 -0.387 0.000 2.314 131 Y HA 0.123 4.673 4.550 0.001 0.000 0.293 131 Y C 2.718 178.074 175.900 -0.907 0.000 1.129 131 Y CA 0.538 58.146 58.100 -0.821 0.000 1.201 131 Y CB -0.046 37.760 38.460 -1.091 0.000 0.999 131 Y HN 0.069 nan 8.280 nan 0.000 0.541 132 L N -0.381 120.699 121.223 -0.238 0.000 2.046 132 L HA -0.227 4.113 4.340 0.001 0.000 0.208 132 L C 2.338 179.190 176.870 -0.031 0.000 1.077 132 L CA 1.368 56.200 54.840 -0.013 0.000 0.747 132 L CB -0.417 41.745 42.059 0.173 0.000 0.896 132 L HN 0.260 nan 8.230 nan 0.000 0.432 133 E N -0.155 120.047 120.200 0.002 0.000 2.033 133 E HA -0.311 4.040 4.350 0.001 0.000 0.199 133 E C 2.196 178.772 176.600 -0.041 0.000 1.011 133 E CA 1.673 58.091 56.400 0.030 0.000 0.815 133 E CB -0.173 29.523 29.700 -0.007 0.000 0.755 133 E HN 0.565 nan 8.360 nan 0.000 0.451 134 Q N -0.652 119.042 119.800 -0.176 0.000 2.181 134 Q HA -0.175 4.166 4.340 0.001 0.000 0.205 134 Q C 1.971 177.955 176.000 -0.027 0.000 0.980 134 Q CA 1.162 56.864 55.803 -0.168 0.000 0.862 134 Q CB -0.052 28.493 28.738 -0.322 0.000 0.905 134 Q HN 0.423 nan 8.270 nan 0.000 0.429 135 W N -0.475 120.775 121.300 -0.083 0.000 2.443 135 W HA 0.108 4.769 4.660 0.001 0.000 0.296 135 W C 2.219 178.583 176.519 -0.259 0.000 1.202 135 W CA 0.953 58.185 57.345 -0.188 0.000 1.312 135 W CB -1.116 28.226 29.460 -0.196 0.000 1.120 135 W HN 0.207 nan 8.180 nan 0.000 0.536 136 G N 0.606 109.379 108.800 -0.045 0.000 2.422 136 G HA2 -0.231 3.729 3.960 0.001 0.000 0.218 136 G HA3 -0.231 3.729 3.960 0.001 0.000 0.218 136 G C 1.444 176.427 174.900 0.139 0.000 1.146 136 G CA 0.632 45.745 45.100 0.022 0.000 0.769 136 G HN 0.209 nan 8.290 nan 0.000 0.547 137 K N 0.587 121.045 120.400 0.097 0.000 2.437 137 K HA 0.451 4.771 4.320 0.001 0.000 0.198 137 K C 0.279 176.908 176.600 0.050 0.000 1.024 137 K CA -0.185 56.149 56.287 0.079 0.000 1.148 137 K CB 0.664 33.199 32.500 0.058 0.000 0.860 137 K HN 0.266 nan 8.250 nan 0.000 0.515 138 A N 0.757 123.600 122.820 0.039 0.000 2.318 138 A HA 0.275 4.595 4.320 0.001 0.000 0.324 138 A C 0.165 177.753 177.584 0.006 0.000 1.170 138 A CA -0.724 51.326 52.037 0.021 0.000 0.810 138 A CB 0.508 19.521 19.000 0.023 0.000 1.198 138 A HN 0.224 nan 8.150 nan 0.000 0.484 139 N N 0.574 119.282 118.700 0.014 0.000 2.573 139 N HA -0.063 4.678 4.740 0.001 0.000 0.187 139 N C -0.070 175.433 175.510 -0.011 0.000 1.107 139 N CA 0.824 53.884 53.050 0.017 0.000 0.918 139 N CB 0.400 38.904 38.487 0.027 0.000 0.966 139 N HN 0.787 nan 8.380 nan 0.000 0.448 140 E N 0.349 120.527 120.200 -0.036 0.000 2.354 140 E HA 0.229 4.579 4.350 0.001 0.000 0.283 140 E C -1.860 174.677 176.600 -0.105 0.000 0.938 140 E CA -0.347 56.008 56.400 -0.075 0.000 0.777 140 E CB 2.289 31.965 29.700 -0.041 0.000 1.222 140 E HN -0.271 nan 8.360 nan 0.000 0.423 141 V N 4.901 124.687 119.914 -0.213 0.000 2.483 141 V HA 0.400 4.521 4.120 0.001 0.000 0.297 141 V C -0.006 175.935 176.094 -0.255 0.000 1.027 141 V CA -0.725 61.416 62.300 -0.264 0.000 0.855 141 V CB 1.383 32.886 31.823 -0.534 0.000 0.995 141 V HN 0.574 nan 8.190 nan 0.000 0.424 142 I N 4.390 124.907 120.570 -0.088 0.000 2.436 142 I HA 0.096 4.267 4.170 0.001 0.000 0.289 142 I C 0.622 176.770 176.117 0.052 0.000 1.083 142 I CA 0.256 61.557 61.300 0.001 0.000 1.372 142 I CB 0.468 38.503 38.000 0.058 0.000 1.408 142 I HN 0.708 nan 8.210 nan 0.000 0.516 143 W N 5.254 126.485 121.300 -0.115 0.000 2.525 143 W HA -0.067 4.593 4.660 0.001 0.000 0.288 143 W C 2.196 178.630 176.519 -0.140 0.000 1.200 143 W CA 0.507 57.697 57.345 -0.258 0.000 1.349 143 W CB -0.553 28.687 29.460 -0.367 0.000 1.102 143 W HN 0.555 nan 8.180 nan 0.000 0.558 144 Y N 1.721 122.081 120.300 0.100 0.000 2.053 144 Y HA -0.246 4.305 4.550 0.001 0.000 0.277 144 Y C -0.528 175.406 175.900 0.057 0.000 1.159 144 Y CA 2.934 61.049 58.100 0.024 0.000 1.125 144 Y CB -1.616 36.858 38.460 0.023 0.000 0.969 144 Y HN -0.174 nan 8.280 nan 0.000 0.492 145 P HA -0.147 nan 4.420 nan 0.000 0.222 145 P C 1.164 178.576 177.300 0.187 0.000 1.147 145 P CA 1.563 64.815 63.100 0.254 0.000 0.790 145 P CB -0.011 31.844 31.700 0.258 0.000 0.780 146 Q N -1.049 118.874 119.800 0.204 0.000 2.269 146 Q HA 0.063 4.404 4.340 0.001 0.000 0.201 146 Q C 2.108 178.247 176.000 0.232 0.000 0.946 146 Q CA 0.920 56.925 55.803 0.336 0.000 0.877 146 Q CB -0.485 28.616 28.738 0.605 0.000 0.963 146 Q HN 0.360 nan 8.270 nan 0.000 0.472 147 L N -0.188 121.018 121.223 -0.029 0.000 2.131 147 L HA -0.063 4.277 4.340 0.001 0.000 0.206 147 L C 2.573 179.284 176.870 -0.265 0.000 1.087 147 L CA 0.669 55.352 54.840 -0.262 0.000 0.767 147 L CB -0.312 41.408 42.059 -0.565 0.000 0.917 147 L HN 0.088 nan 8.230 nan 0.000 0.441 148 R N 0.009 120.375 120.500 -0.223 0.000 2.103 148 R HA -0.208 4.133 4.340 0.001 0.000 0.242 148 R C 2.440 178.820 176.300 0.134 0.000 1.142 148 R CA 1.671 57.747 56.100 -0.040 0.000 0.960 148 R CB -0.212 30.176 30.300 0.145 0.000 0.858 148 R HN 0.280 nan 8.270 nan 0.000 0.439 149 R N -0.014 120.437 120.500 -0.081 0.000 2.075 149 R HA -0.007 4.334 4.340 0.001 0.000 0.226 149 R C 2.360 178.507 176.300 -0.255 0.000 1.114 149 R CA 1.093 56.985 56.100 -0.348 0.000 0.972 149 R CB -0.091 30.050 30.300 -0.266 0.000 0.869 149 R HN 0.165 nan 8.270 nan 0.000 0.437 150 M N 0.361 119.684 119.600 -0.461 0.000 2.086 150 M HA -0.166 4.314 4.480 0.001 0.000 0.261 150 M C 2.057 178.152 176.300 -0.342 0.000 1.067 150 M CA 2.335 57.155 55.300 -0.801 0.000 1.116 150 M CB -0.194 31.820 32.600 -0.976 0.000 1.348 150 M HN 0.267 nan 8.290 nan 0.000 0.407 151 T N -1.454 112.981 114.554 -0.199 0.000 2.788 151 T HA -0.206 4.145 4.350 0.001 0.000 0.268 151 T C 1.588 176.303 174.700 0.026 0.000 1.044 151 T CA 1.394 63.445 62.100 -0.082 0.000 1.139 151 T CB -1.059 67.782 68.868 -0.045 0.000 0.867 151 T HN 0.495 nan 8.240 nan 0.000 0.454 152 F N 2.699 122.653 119.950 0.007 0.000 2.134 152 F HA -0.045 4.482 4.527 0.001 0.000 0.299 152 F C 1.830 177.575 175.800 -0.092 0.000 1.097 152 F CA 1.739 59.751 58.000 0.019 0.000 1.264 152 F CB -0.329 38.751 39.000 0.134 0.000 1.001 152 F HN 0.077 nan 8.300 nan 0.000 0.479 153 D N 0.004 120.421 120.400 0.028 0.000 2.117 153 D HA -0.157 4.483 4.640 0.001 0.000 0.197 153 D C 2.555 178.750 176.300 -0.176 0.000 0.987 153 D CA 1.604 55.577 54.000 -0.045 0.000 0.829 153 D CB -0.702 40.129 40.800 0.052 0.000 0.961 153 D HN 0.231 nan 8.370 nan 0.000 0.460 154 V N 1.648 121.455 119.914 -0.178 0.000 2.255 154 V HA -0.269 3.851 4.120 0.001 0.000 0.247 154 V C 2.566 178.438 176.094 -0.370 0.000 1.051 154 V CA 1.975 64.149 62.300 -0.210 0.000 1.018 154 V CB -0.975 30.755 31.823 -0.155 0.000 0.641 154 V HN 0.192 nan 8.190 nan 0.000 0.445 155 A N 0.244 122.807 122.820 -0.428 0.000 1.859 155 A HA -0.202 4.118 4.320 0.001 0.000 0.217 155 A C 2.408 179.416 177.584 -0.959 0.000 1.198 155 A CA 2.577 54.125 52.037 -0.815 0.000 0.629 155 A CB -1.118 17.614 19.000 -0.447 0.000 0.830 155 A HN 0.641 nan 8.150 nan 0.000 0.446 156 A N -1.613 120.779 122.820 -0.714 0.000 2.070 156 A HA -0.021 4.300 4.320 0.001 0.000 0.220 156 A C 2.209 179.583 177.584 -0.352 0.000 1.159 156 A CA 2.214 53.929 52.037 -0.537 0.000 0.656 156 A CB -0.949 17.659 19.000 -0.653 0.000 0.800 156 A HN 0.483 nan 8.150 nan 0.000 0.453 157 T N -0.037 114.304 114.554 -0.356 0.000 2.814 157 T HA 0.056 4.406 4.350 0.001 0.000 0.254 157 T C 1.779 176.294 174.700 -0.308 0.000 1.037 157 T CA 1.096 63.043 62.100 -0.255 0.000 1.143 157 T CB -0.269 68.480 68.868 -0.199 0.000 0.866 157 T HN 0.349 nan 8.240 nan 0.000 0.431 158 L N 0.030 120.956 121.223 -0.494 0.000 2.201 158 L HA 0.002 4.342 4.340 0.001 0.000 0.212 158 L C 2.087 178.671 176.870 -0.475 0.000 1.105 158 L CA 1.098 55.574 54.840 -0.607 0.000 0.775 158 L CB -0.400 41.142 42.059 -0.862 0.000 0.913 158 L HN 0.240 nan 8.230 nan 0.000 0.440 159 F N -1.319 118.429 119.950 -0.336 0.000 2.387 159 F HA 0.061 4.589 4.527 0.001 0.000 0.294 159 F C 2.042 177.728 175.800 -0.191 0.000 1.093 159 F CA 0.668 58.498 58.000 -0.283 0.000 1.420 159 F CB -0.300 38.534 39.000 -0.276 0.000 1.086 159 F HN -0.020 nan 8.300 nan 0.000 0.531 160 M N -1.216 118.372 119.600 -0.019 0.000 2.260 160 M HA 0.409 4.890 4.480 0.001 0.000 0.326 160 M C 0.255 176.527 176.300 -0.047 0.000 0.930 160 M CA 0.296 55.580 55.300 -0.027 0.000 1.051 160 M CB 1.391 33.975 32.600 -0.027 0.000 1.748 160 M HN 0.072 nan 8.290 nan 0.000 0.606 161 G N 0.777 109.532 108.800 -0.075 0.000 2.650 161 G HA2 -0.049 3.911 3.960 0.001 0.000 0.686 161 G HA3 -0.049 3.911 3.960 0.001 0.000 0.686 161 G C 0.078 174.939 174.900 -0.064 0.000 1.205 161 G CA -0.190 44.874 45.100 -0.061 0.000 0.781 161 G HN 0.280 nan 8.290 nan 0.000 0.648 162 E N 0.122 120.289 120.200 -0.054 0.000 2.077 162 E HA 0.007 4.357 4.350 0.001 0.000 0.193 162 E C 2.826 179.404 176.600 -0.037 0.000 0.989 162 E CA 3.166 59.536 56.400 -0.050 0.000 0.800 162 E CB -0.841 28.835 29.700 -0.040 0.000 0.746 162 E HN 2.094 nan 8.360 nan 0.000 0.452 163 K N 0.326 120.709 120.400 -0.028 0.000 2.057 163 K HA 0.140 4.461 4.320 0.001 0.000 0.206 163 K C 2.519 179.111 176.600 -0.013 0.000 1.050 163 K CA 1.235 57.511 56.287 -0.019 0.000 0.935 163 K CB -1.059 31.432 32.500 -0.014 0.000 0.715 163 K HN 0.365 nan 8.250 nan 0.000 0.439 164 V N 1.966 121.871 119.914 -0.014 0.000 2.594 164 V HA -0.224 3.896 4.120 0.001 0.000 0.253 164 V C 2.435 178.532 176.094 0.003 0.000 1.069 164 V CA 2.200 64.498 62.300 -0.003 0.000 1.082 164 V CB -0.375 31.443 31.823 -0.010 0.000 0.680 164 V HN 0.643 nan 8.190 nan 0.000 0.469 165 S N -0.481 115.209 115.700 -0.017 0.000 2.489 165 S HA -0.144 4.327 4.470 0.001 0.000 0.228 165 S C 1.624 176.238 174.600 0.023 0.000 0.995 165 S CA 0.624 58.823 58.200 -0.001 0.000 0.934 165 S CB -0.191 62.983 63.200 -0.044 0.000 0.771 165 S HN 0.682 nan 8.310 nan 0.000 0.522 166 Q N 1.292 121.094 119.800 0.003 0.000 2.280 166 Q HA 0.209 4.550 4.340 0.001 0.000 0.202 166 Q C -0.014 175.983 176.000 -0.006 0.000 0.903 166 Q CA -0.260 55.540 55.803 -0.005 0.000 0.948 166 Q CB 0.016 28.744 28.738 -0.016 0.000 1.058 166 Q HN 0.232 nan 8.270 nan 0.000 0.493 167 N N 1.753 120.457 118.700 0.006 0.000 2.415 167 N HA 0.057 4.798 4.740 0.001 0.000 0.246 167 N C -1.934 173.555 175.510 -0.034 0.000 1.078 167 N CA -1.923 51.120 53.050 -0.011 0.000 0.942 167 N CB 1.059 39.553 38.487 0.012 0.000 1.140 167 N HN -0.019 nan 8.380 nan 0.000 0.501 168 P HA 0.007 nan 4.420 nan 0.000 0.245 168 P C 0.333 177.518 177.300 -0.191 0.000 1.206 168 P CA 0.735 63.783 63.100 -0.087 0.000 0.781 168 P CB 0.525 32.180 31.700 -0.075 0.000 0.994 169 Q N -0.587 119.003 119.800 -0.350 0.000 2.378 169 Q HA 0.073 4.414 4.340 0.001 0.000 0.205 169 Q C 2.164 177.679 176.000 -0.809 0.000 0.954 169 Q CA 0.598 55.930 55.803 -0.785 0.000 0.901 169 Q CB -0.357 27.654 28.738 -1.212 0.000 0.981 169 Q HN 0.277 nan 8.270 nan 0.000 0.483 170 L N -0.580 120.476 121.223 -0.279 0.000 2.005 170 L HA -0.152 4.189 4.340 0.001 0.000 0.207 170 L C 2.142 179.038 176.870 0.044 0.000 1.072 170 L CA 1.073 55.949 54.840 0.059 0.000 0.744 170 L CB -0.426 41.791 42.059 0.263 0.000 0.895 170 L HN 0.243 nan 8.230 nan 0.000 0.433 171 F N 1.591 121.361 119.950 -0.301 0.000 2.043 171 F HA -0.159 4.369 4.527 0.001 0.000 0.297 171 F C -0.415 175.239 175.800 -0.243 0.000 1.121 171 F CA 1.757 59.399 58.000 -0.597 0.000 1.199 171 F CB -1.643 37.032 39.000 -0.541 0.000 0.968 171 F HN 0.013 nan 8.300 nan 0.000 0.478 172 P HA -0.202 nan 4.420 nan 0.000 0.216 172 P C 1.500 178.760 177.300 -0.066 0.000 1.153 172 P CA 2.041 65.010 63.100 -0.220 0.000 0.858 172 P CB -0.373 31.223 31.700 -0.174 0.000 0.789 173 W N -1.366 119.883 121.300 -0.084 0.000 2.363 173 W HA -0.036 4.625 4.660 0.001 0.000 0.296 173 W C 2.274 178.776 176.519 -0.030 0.000 1.212 173 W CA 0.437 57.756 57.345 -0.043 0.000 1.260 173 W CB -1.733 27.726 29.460 -0.001 0.000 1.131 173 W HN -0.046 nan 8.180 nan 0.000 0.530 174 F N 1.412 121.384 119.950 0.038 0.000 2.259 174 F HA -0.098 4.429 4.527 0.001 0.000 0.298 174 F C 2.151 177.890 175.800 -0.102 0.000 1.088 174 F CA 1.639 59.639 58.000 -0.000 0.000 1.358 174 F CB -0.319 38.653 39.000 -0.047 0.000 1.040 174 F HN -0.150 nan 8.300 nan 0.000 0.505 175 E N -0.405 119.606 120.200 -0.315 0.000 2.031 175 E HA -0.194 4.157 4.350 0.001 0.000 0.193 175 E C 2.092 178.573 176.600 -0.198 0.000 0.994 175 E CA 2.002 58.198 56.400 -0.339 0.000 0.800 175 E CB -0.434 29.011 29.700 -0.425 0.000 0.752 175 E HN 0.359 nan 8.360 nan 0.000 0.447 176 T N 0.765 115.252 114.554 -0.112 0.000 2.708 176 T HA -0.214 4.137 4.350 0.001 0.000 0.266 176 T C 1.629 176.273 174.700 -0.094 0.000 1.037 176 T CA 1.439 63.500 62.100 -0.065 0.000 1.146 176 T CB -0.574 68.296 68.868 0.002 0.000 0.865 176 T HN 0.259 nan 8.240 nan 0.000 0.435 177 Y N 2.249 122.412 120.300 -0.229 0.000 2.040 177 Y HA -0.227 4.323 4.550 0.001 0.000 0.275 177 Y C 2.109 177.796 175.900 -0.354 0.000 1.171 177 Y CA 1.165 59.085 58.100 -0.300 0.000 1.123 177 Y CB -0.633 37.642 38.460 -0.308 0.000 0.963 177 Y HN 0.055 nan 8.280 nan 0.000 0.493 178 I N 0.820 121.059 120.570 -0.553 0.000 2.208 178 I HA -0.354 3.816 4.170 0.001 0.000 0.245 178 I C 2.382 178.327 176.117 -0.288 0.000 1.097 178 I CA 1.741 62.733 61.300 -0.513 0.000 1.363 178 I CB -1.543 36.249 38.000 -0.345 0.000 1.051 178 I HN 0.481 nan 8.210 nan 0.000 0.413 179 Q N -0.128 119.560 119.800 -0.187 0.000 2.297 179 Q HA -0.133 4.208 4.340 0.001 0.000 0.208 179 Q C 1.720 177.665 176.000 -0.093 0.000 0.981 179 Q CA 1.355 57.106 55.803 -0.087 0.000 0.876 179 Q CB -0.234 28.470 28.738 -0.058 0.000 0.921 179 Q HN 0.613 nan 8.270 nan 0.000 0.446 180 G N -0.730 107.959 108.800 -0.185 0.000 3.575 180 G HA2 0.147 4.107 3.960 0.001 0.000 0.273 180 G HA3 0.147 4.107 3.960 0.001 0.000 0.273 180 G C 0.958 175.719 174.900 -0.231 0.000 1.053 180 G CA -0.337 44.680 45.100 -0.140 0.000 0.803 180 G HN 0.135 nan 8.290 nan 0.000 0.528 181 L N -0.707 120.262 121.223 -0.422 0.000 2.141 181 L HA 0.161 4.502 4.340 0.001 0.000 0.209 181 L C 1.096 177.454 176.870 -0.853 0.000 1.094 181 L CA 1.109 55.493 54.840 -0.761 0.000 0.763 181 L CB -0.064 41.332 42.059 -1.105 0.000 0.908 181 L HN 0.284 nan 8.230 nan 0.000 0.437 182 F N -1.207 118.683 119.950 -0.101 0.000 2.791 182 F HA 0.151 4.679 4.527 0.001 0.000 0.308 182 F C 1.198 176.973 175.800 -0.042 0.000 1.138 182 F CA -0.666 57.302 58.000 -0.053 0.000 1.294 182 F CB 0.073 39.067 39.000 -0.011 0.000 0.975 182 F HN -0.092 nan 8.300 nan 0.000 0.512 183 S N 0.010 115.743 115.700 0.054 0.000 2.681 183 S HA 0.650 5.120 4.470 0.001 0.000 0.270 183 S C -0.176 174.420 174.600 -0.006 0.000 1.209 183 S CA -0.784 57.447 58.200 0.052 0.000 0.988 183 S CB 1.120 64.360 63.200 0.067 0.000 1.006 183 S HN 0.197 nan 8.310 nan 0.000 0.558 184 L N 1.563 122.776 121.223 -0.016 0.000 2.426 184 L HA 0.334 4.674 4.340 0.001 0.000 0.271 184 L C -1.908 174.782 176.870 -0.300 0.000 1.169 184 L CA -1.892 52.893 54.840 -0.092 0.000 0.836 184 L CB 0.306 42.356 42.059 -0.015 0.000 1.112 184 L HN 0.551 nan 8.230 nan 0.000 0.465 185 P HA 0.191 nan 4.420 nan 0.000 0.225 185 P C -0.510 176.386 177.300 -0.673 0.000 1.813 185 P CA 0.151 62.561 63.100 -1.150 0.000 1.013 185 P CB -0.399 30.784 31.700 -0.862 0.000 1.961 186 I N 3.902 124.265 120.570 -0.345 0.000 2.297 186 I HA 0.233 4.403 4.170 0.001 0.000 0.291 186 I C -1.774 174.397 176.117 0.090 0.000 1.033 186 I CA -2.405 58.842 61.300 -0.089 0.000 1.253 186 I CB 1.796 39.782 38.000 -0.022 0.000 1.396 186 I HN -0.049 nan 8.210 nan 0.000 0.476 187 P HA 0.312 nan 4.420 nan 0.000 0.208 187 P C -0.690 176.667 177.300 0.095 0.000 1.837 187 P CA -0.029 63.187 63.100 0.193 0.000 0.953 187 P CB -0.002 31.790 31.700 0.153 0.000 1.870 188 L N 2.070 123.341 121.223 0.081 0.000 2.334 188 L HA 0.430 4.770 4.340 0.001 0.000 0.276 188 L C -0.950 175.943 176.870 0.038 0.000 1.014 188 L CA -2.542 52.324 54.840 0.043 0.000 0.815 188 L CB 2.176 44.253 42.059 0.029 0.000 1.268 188 L HN -0.162 nan 8.230 nan 0.000 0.428 189 P HA -0.179 nan 4.420 nan 0.000 0.216 189 P C 0.346 177.647 177.300 0.002 0.000 1.153 189 P CA 1.259 64.358 63.100 -0.001 0.000 0.858 189 P CB 0.090 31.785 31.700 -0.008 0.000 0.789 190 N N 0.747 119.452 118.700 0.009 0.000 3.245 190 N HA 0.084 4.825 4.740 0.001 0.000 0.296 190 N C -0.702 174.820 175.510 0.020 0.000 1.254 190 N CA -0.002 53.054 53.050 0.011 0.000 1.190 190 N CB -0.740 37.753 38.487 0.009 0.000 1.460 190 N HN 0.159 nan 8.380 nan 0.000 0.538 191 T N -2.938 111.633 114.554 0.028 0.000 2.843 191 T HA 0.310 4.660 4.350 0.001 0.000 0.302 191 T C 1.389 176.113 174.700 0.040 0.000 1.232 191 T CA -0.824 61.303 62.100 0.045 0.000 1.009 191 T CB 0.630 69.545 68.868 0.079 0.000 1.254 191 T HN -0.008 nan 8.240 nan 0.000 0.504 192 L N -0.075 121.175 121.223 0.045 0.000 2.043 192 L HA -0.030 4.310 4.340 0.001 0.000 0.212 192 L C 2.318 179.207 176.870 0.032 0.000 1.075 192 L CA 1.819 56.676 54.840 0.028 0.000 0.752 192 L CB -0.598 41.480 42.059 0.032 0.000 0.891 192 L HN 0.682 nan 8.230 nan 0.000 0.432 193 F N 0.662 120.569 119.950 -0.072 0.000 2.113 193 F HA -0.087 4.441 4.527 0.001 0.000 0.297 193 F C 2.252 178.004 175.800 -0.080 0.000 1.103 193 F CA 1.537 59.481 58.000 -0.092 0.000 1.248 193 F CB -0.609 38.342 39.000 -0.082 0.000 0.999 193 F HN -0.041 nan 8.300 nan 0.000 0.475 194 G N 0.197 108.979 108.800 -0.030 0.000 2.402 194 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 194 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 194 G C 1.753 176.562 174.900 -0.152 0.000 1.162 194 G CA 0.729 45.756 45.100 -0.122 0.000 0.777 194 G HN 0.303 nan 8.290 nan 0.000 0.539 195 K N 0.496 120.839 120.400 -0.094 0.000 2.044 195 K HA -0.112 4.208 4.320 0.001 0.000 0.210 195 K C 2.911 179.433 176.600 -0.129 0.000 1.049 195 K CA 1.574 57.809 56.287 -0.087 0.000 0.927 195 K CB -0.309 32.161 32.500 -0.049 0.000 0.713 195 K HN 0.232 nan 8.250 nan 0.000 0.443 196 S N 1.082 116.673 115.700 -0.181 0.000 2.368 196 S HA -0.172 4.299 4.470 0.001 0.000 0.225 196 S C 1.966 176.442 174.600 -0.208 0.000 1.030 196 S CA 1.163 59.243 58.200 -0.199 0.000 0.999 196 S CB -0.136 62.876 63.200 -0.315 0.000 0.844 196 S HN 0.307 nan 8.310 nan 0.000 0.459 197 Q N 0.400 119.974 119.800 -0.377 0.000 2.061 197 Q HA -0.127 4.214 4.340 0.001 0.000 0.204 197 Q C 2.454 178.309 176.000 -0.242 0.000 0.984 197 Q CA 1.305 56.886 55.803 -0.370 0.000 0.846 197 Q CB -0.163 28.283 28.738 -0.487 0.000 0.902 197 Q HN 0.457 nan 8.270 nan 0.000 0.421 198 R N -0.135 120.238 120.500 -0.212 0.000 2.073 198 R HA -0.043 4.298 4.340 0.001 0.000 0.229 198 R C 2.302 178.453 176.300 -0.248 0.000 1.120 198 R CA 0.950 56.932 56.100 -0.196 0.000 0.967 198 R CB -0.328 29.883 30.300 -0.149 0.000 0.862 198 R HN 0.184 nan 8.270 nan 0.000 0.436 199 A N 1.473 124.171 122.820 -0.204 0.000 1.940 199 A HA -0.231 4.090 4.320 0.001 0.000 0.219 199 A C 2.142 179.562 177.584 -0.274 0.000 1.176 199 A CA 1.579 53.480 52.037 -0.226 0.000 0.631 199 A CB -0.509 18.464 19.000 -0.045 0.000 0.814 199 A HN 0.259 nan 8.150 nan 0.000 0.446 200 R N -0.366 120.018 120.500 -0.194 0.000 2.081 200 R HA -0.102 4.239 4.340 0.001 0.000 0.235 200 R C 2.273 178.396 176.300 -0.296 0.000 1.131 200 R CA 1.581 57.514 56.100 -0.278 0.000 0.960 200 R CB -0.449 29.760 30.300 -0.151 0.000 0.856 200 R HN 0.422 nan 8.270 nan 0.000 0.436 201 A N 1.014 123.668 122.820 -0.276 0.000 1.902 201 A HA -0.119 4.201 4.320 0.001 0.000 0.217 201 A C 2.207 179.584 177.584 -0.345 0.000 1.181 201 A CA 1.304 53.184 52.037 -0.261 0.000 0.623 201 A CB -0.556 18.312 19.000 -0.220 0.000 0.818 201 A HN 0.363 nan 8.150 nan 0.000 0.443 202 L N -0.816 120.087 121.223 -0.533 0.000 2.083 202 L HA -0.167 4.173 4.340 0.001 0.000 0.209 202 L C 2.550 178.975 176.870 -0.743 0.000 1.083 202 L CA 0.924 55.239 54.840 -0.875 0.000 0.752 202 L CB -0.517 40.532 42.059 -1.682 0.000 0.899 202 L HN 0.363 nan 8.230 nan 0.000 0.433 203 L N -1.081 119.846 121.223 -0.495 0.000 2.056 203 L HA -0.229 4.112 4.340 0.001 0.000 0.207 203 L C 2.465 179.255 176.870 -0.134 0.000 1.078 203 L CA 0.766 55.499 54.840 -0.179 0.000 0.749 203 L CB -0.378 41.585 42.059 -0.159 0.000 0.901 203 L HN 0.200 nan 8.230 nan 0.000 0.433 204 L N -0.210 120.903 121.223 -0.184 0.000 2.046 204 L HA -0.147 4.194 4.340 0.001 0.000 0.208 204 L C 2.726 179.537 176.870 -0.099 0.000 1.077 204 L CA 2.051 56.813 54.840 -0.130 0.000 0.747 204 L CB -1.379 40.597 42.059 -0.139 0.000 0.896 204 L HN 0.187 nan 8.230 nan 0.000 0.432 205 A N -1.236 121.507 122.820 -0.128 0.000 1.930 205 A HA -0.191 4.130 4.320 0.001 0.000 0.217 205 A C 2.288 179.853 177.584 -0.033 0.000 1.175 205 A CA 1.488 53.471 52.037 -0.088 0.000 0.627 205 A CB -0.390 18.540 19.000 -0.117 0.000 0.815 205 A HN 0.360 nan 8.150 nan 0.000 0.443 206 E N 0.107 120.303 120.200 -0.007 0.000 2.106 206 E HA -0.050 4.301 4.350 0.001 0.000 0.192 206 E C 1.811 178.445 176.600 0.057 0.000 0.984 206 E CA 0.854 57.309 56.400 0.092 0.000 0.806 206 E CB -0.348 29.508 29.700 0.259 0.000 0.750 206 E HN 0.604 nan 8.360 nan 0.000 0.458 207 L N 0.105 121.341 121.223 0.022 0.000 2.141 207 L HA -0.104 4.236 4.340 0.001 0.000 0.209 207 L C 2.475 179.343 176.870 -0.004 0.000 1.094 207 L CA 1.202 56.046 54.840 0.007 0.000 0.763 207 L CB -0.269 41.782 42.059 -0.014 0.000 0.908 207 L HN 0.220 nan 8.230 nan 0.000 0.437 208 E N 0.535 120.727 120.200 -0.014 0.000 2.023 208 E HA -0.264 4.086 4.350 0.001 0.000 0.196 208 E C 2.146 178.744 176.600 -0.004 0.000 1.003 208 E CA 1.455 57.846 56.400 -0.015 0.000 0.809 208 E CB 0.133 29.819 29.700 -0.023 0.000 0.755 208 E HN 0.305 nan 8.360 nan 0.000 0.449 209 K N 0.177 120.579 120.400 0.005 0.000 2.034 209 K HA -0.214 4.107 4.320 0.001 0.000 0.214 209 K C 2.195 178.802 176.600 0.011 0.000 1.051 209 K CA 1.928 58.222 56.287 0.012 0.000 0.931 209 K CB -0.332 32.184 32.500 0.026 0.000 0.715 209 K HN 0.216 nan 8.250 nan 0.000 0.446 210 I N 0.762 121.341 120.570 0.016 0.000 2.163 210 I HA -0.318 3.853 4.170 0.001 0.000 0.243 210 I C 2.270 178.387 176.117 0.001 0.000 1.085 210 I CA 1.408 62.715 61.300 0.011 0.000 1.347 210 I CB -0.268 37.741 38.000 0.016 0.000 1.044 210 I HN 0.151 nan 8.210 nan 0.000 0.408 211 I N 0.310 120.878 120.570 -0.003 0.000 2.233 211 I HA -0.254 3.916 4.170 0.001 0.000 0.243 211 I C 2.481 178.593 176.117 -0.007 0.000 1.093 211 I CA 1.378 62.673 61.300 -0.008 0.000 1.380 211 I CB -0.321 37.671 38.000 -0.013 0.000 1.067 211 I HN 0.084 nan 8.210 nan 0.000 0.413 212 K N 0.848 121.244 120.400 -0.006 0.000 2.103 212 K HA -0.172 4.148 4.320 0.001 0.000 0.207 212 K C 2.188 178.786 176.600 -0.004 0.000 1.048 212 K CA 1.568 57.852 56.287 -0.006 0.000 0.930 212 K CB -0.260 32.236 32.500 -0.005 0.000 0.716 212 K HN 0.333 nan 8.250 nan 0.000 0.444 213 A N 1.101 123.920 122.820 -0.002 0.000 1.930 213 A HA -0.154 4.167 4.320 0.001 0.000 0.217 213 A C 2.036 179.618 177.584 -0.004 0.000 1.175 213 A CA 1.476 53.512 52.037 -0.002 0.000 0.627 213 A CB -0.303 18.698 19.000 0.001 0.000 0.815 213 A HN 0.142 nan 8.150 nan 0.000 0.443 214 R N 0.113 120.610 120.500 -0.005 0.000 2.193 214 R HA 0.013 4.354 4.340 0.001 0.000 0.213 214 R C 1.896 178.192 176.300 -0.008 0.000 1.055 214 R CA 1.450 57.546 56.100 -0.007 0.000 0.995 214 R CB -0.509 29.786 30.300 -0.009 0.000 0.893 214 R HN 0.628 nan 8.270 nan 0.000 0.459 215 Q N -0.666 119.130 119.800 -0.008 0.000 2.436 215 Q HA -0.091 4.250 4.340 0.001 0.000 0.209 215 Q C 0.794 176.790 176.000 -0.007 0.000 0.965 215 Q CA 0.776 56.574 55.803 -0.008 0.000 0.910 215 Q CB 0.270 29.003 28.738 -0.008 0.000 0.980 215 Q HN 0.199 nan 8.270 nan 0.000 0.491 216 Q N -0.046 119.750 119.800 -0.006 0.000 2.201 216 Q HA 0.087 4.428 4.340 0.001 0.000 0.217 216 Q C -0.728 175.269 176.000 -0.005 0.000 0.860 216 Q CA 0.133 55.933 55.803 -0.005 0.000 0.984 216 Q CB 0.627 29.363 28.738 -0.004 0.000 1.095 216 Q HN 0.060 nan 8.270 nan 0.000 0.477 217 Q N -0.093 119.703 119.800 -0.006 0.000 2.387 217 Q HA 0.471 4.812 4.340 0.001 0.000 0.273 217 Q C -2.374 173.622 176.000 -0.006 0.000 1.089 217 Q CA -2.373 53.426 55.803 -0.006 0.000 0.824 217 Q CB 1.108 29.842 28.738 -0.006 0.000 1.367 217 Q HN -0.012 nan 8.270 nan 0.000 0.443 218 P HA 0.033 nan 4.420 nan 0.000 0.255 218 P C -2.311 174.985 177.300 -0.007 0.000 1.161 218 P CA -0.420 62.676 63.100 -0.006 0.000 0.768 218 P CB -0.438 31.258 31.700 -0.006 0.000 0.746 219 P HA 0.126 nan 4.420 nan 0.000 0.267 219 P C -0.146 177.148 177.300 -0.009 0.000 1.209 219 P CA 0.299 63.394 63.100 -0.009 0.000 0.763 219 P CB 0.644 32.339 31.700 -0.009 0.000 0.816 220 S N 1.786 117.480 115.700 -0.010 0.000 2.671 220 S HA 0.522 4.993 4.470 0.001 0.000 0.299 220 S C -0.463 174.130 174.600 -0.012 0.000 1.116 220 S CA -0.554 57.640 58.200 -0.010 0.000 0.912 220 S CB 1.033 64.229 63.200 -0.007 0.000 1.130 220 S HN 0.269 nan 8.310 nan 0.000 0.501 221 E N 0.718 120.910 120.200 -0.013 0.000 3.428 221 E HA 0.254 4.604 4.350 0.001 0.000 0.191 221 E C -0.085 176.507 176.600 -0.013 0.000 0.980 221 E CA -0.026 56.364 56.400 -0.018 0.000 1.305 221 E CB 0.750 30.434 29.700 -0.026 0.000 1.105 221 E HN 0.620 nan 8.360 nan 0.000 0.455 222 E N 0.750 120.952 120.200 0.004 0.000 2.371 222 E HA -0.039 4.312 4.350 0.001 0.000 0.194 222 E C 0.324 176.982 176.600 0.096 0.000 1.012 222 E CA 0.705 57.122 56.400 0.028 0.000 0.860 222 E CB 0.308 30.024 29.700 0.027 0.000 0.811 222 E HN 0.331 nan 8.360 nan 0.000 0.502 223 D N -1.935 118.508 120.400 0.072 0.000 2.732 223 D HA 0.283 4.924 4.640 0.001 0.000 0.292 223 D C 0.494 176.812 176.300 0.030 0.000 1.135 223 D CA -0.421 53.638 54.000 0.099 0.000 1.071 223 D CB 0.335 41.159 40.800 0.040 0.000 1.457 223 D HN -0.160 nan 8.370 nan 0.000 0.547 224 A N -0.499 122.327 122.820 0.011 0.000 1.969 224 A HA -0.021 4.300 4.320 0.001 0.000 0.218 224 A C 1.946 179.481 177.584 -0.081 0.000 1.169 224 A CA 1.337 53.317 52.037 -0.096 0.000 0.635 224 A CB -0.766 18.084 19.000 -0.250 0.000 0.810 224 A HN 0.452 nan 8.150 nan 0.000 0.445 225 L N -0.022 121.178 121.223 -0.039 0.000 2.072 225 L HA 0.068 4.408 4.340 0.001 0.000 0.205 225 L C 2.307 179.158 176.870 -0.031 0.000 1.079 225 L CA 2.224 57.042 54.840 -0.035 0.000 0.752 225 L CB -1.060 40.988 42.059 -0.019 0.000 0.906 225 L HN 0.264 nan 8.230 nan 0.000 0.436 226 G N -0.401 108.385 108.800 -0.022 0.000 2.408 226 G HA2 -0.204 3.756 3.960 0.001 0.000 0.217 226 G HA3 -0.204 3.756 3.960 0.001 0.000 0.217 226 G C 1.647 176.530 174.900 -0.027 0.000 1.150 226 G CA 0.971 46.059 45.100 -0.020 0.000 0.776 226 G HN 0.452 nan 8.290 nan 0.000 0.542 227 I N 0.199 120.747 120.570 -0.036 0.000 2.394 227 I HA -0.083 4.088 4.170 0.001 0.000 0.251 227 I C 2.609 178.700 176.117 -0.042 0.000 1.136 227 I CA 0.536 61.809 61.300 -0.045 0.000 1.425 227 I CB -0.048 37.913 38.000 -0.065 0.000 1.079 227 I HN 0.134 nan 8.210 nan 0.000 0.425 228 L N -0.164 121.031 121.223 -0.047 0.000 2.072 228 L HA -0.170 4.171 4.340 0.001 0.000 0.205 228 L C 2.438 179.292 176.870 -0.028 0.000 1.079 228 L CA 1.099 55.915 54.840 -0.040 0.000 0.752 228 L CB -0.291 41.738 42.059 -0.051 0.000 0.906 228 L HN 0.229 nan 8.230 nan 0.000 0.436 229 L N -0.466 120.741 121.223 -0.026 0.000 2.046 229 L HA -0.174 4.166 4.340 0.001 0.000 0.208 229 L C 2.616 179.477 176.870 -0.016 0.000 1.077 229 L CA 1.186 56.015 54.840 -0.019 0.000 0.747 229 L CB -0.588 41.461 42.059 -0.018 0.000 0.896 229 L HN 0.224 nan 8.230 nan 0.000 0.432 230 A N -0.214 122.595 122.820 -0.018 0.000 2.206 230 A HA 0.292 4.613 4.320 0.001 0.000 0.211 230 A C 1.287 178.863 177.584 -0.013 0.000 1.158 230 A CA 0.567 52.596 52.037 -0.015 0.000 0.761 230 A CB -0.476 18.514 19.000 -0.017 0.000 0.801 230 A HN 0.295 nan 8.150 nan 0.000 0.473 231 A N 0.309 123.120 122.820 -0.014 0.000 2.386 231 A HA 0.607 4.928 4.320 0.001 0.000 0.248 231 A C 0.248 177.828 177.584 -0.006 0.000 1.082 231 A CA -0.270 51.761 52.037 -0.010 0.000 0.789 231 A CB 0.317 19.311 19.000 -0.011 0.000 1.025 231 A HN 0.308 nan 8.150 nan 0.000 0.490 232 R N 1.037 121.536 120.500 -0.002 0.000 2.575 232 R HA 0.320 4.661 4.340 0.001 0.000 0.293 232 R C -1.217 175.085 176.300 0.003 0.000 0.983 232 R CA -0.682 55.418 56.100 0.000 0.000 0.887 232 R CB 1.616 31.916 30.300 0.001 0.000 1.184 232 R HN 0.960 nan 8.270 nan 0.000 0.445 233 D N 0.092 120.494 120.400 0.004 0.000 2.384 233 D HA 0.016 4.657 4.640 0.001 0.000 0.244 233 D C 0.260 176.565 176.300 0.008 0.000 1.251 233 D CA -0.290 53.714 54.000 0.007 0.000 0.961 233 D CB 0.704 41.508 40.800 0.008 0.000 1.116 233 D HN 0.247 nan 8.370 nan 0.000 0.484 234 D N -0.967 119.440 120.400 0.011 0.000 2.265 234 D HA -0.126 4.515 4.640 0.001 0.000 0.208 234 D C 0.602 176.908 176.300 0.010 0.000 0.977 234 D CA 0.791 54.797 54.000 0.011 0.000 0.871 234 D CB -0.210 40.598 40.800 0.014 0.000 0.925 234 D HN 0.306 nan 8.370 nan 0.000 0.485 235 N N 0.506 119.212 118.700 0.009 0.000 2.370 235 N HA -0.031 4.710 4.740 0.001 0.000 0.198 235 N C -0.128 175.385 175.510 0.006 0.000 1.156 235 N CA 0.041 53.096 53.050 0.007 0.000 0.839 235 N CB -0.152 38.340 38.487 0.008 0.000 0.989 235 N HN 0.044 nan 8.380 nan 0.000 0.468 236 N N 0.595 119.298 118.700 0.005 0.000 2.754 236 N HA -0.190 4.551 4.740 0.001 0.000 0.248 236 N C -1.289 174.223 175.510 0.002 0.000 1.093 236 N CA 0.621 53.673 53.050 0.004 0.000 0.699 236 N CB -0.589 37.900 38.487 0.003 0.000 1.016 236 N HN 0.160 nan 8.380 nan 0.000 0.552 237 Q N -0.533 119.268 119.800 0.002 0.000 2.348 237 Q HA 0.570 4.911 4.340 0.001 0.000 0.271 237 Q C -2.425 173.575 176.000 -0.000 0.000 1.067 237 Q CA -1.791 54.013 55.803 0.001 0.000 0.839 237 Q CB 1.090 29.829 28.738 0.002 0.000 1.354 237 Q HN 0.150 nan 8.270 nan 0.000 0.447 238 P HA 0.071 nan 4.420 nan 0.000 0.269 238 P C -0.235 177.062 177.300 -0.004 0.000 1.209 238 P CA -0.129 62.969 63.100 -0.004 0.000 0.776 238 P CB 0.440 32.136 31.700 -0.006 0.000 0.876 239 L N 1.458 122.678 121.223 -0.006 0.000 2.540 239 L HA 0.028 4.369 4.340 0.001 0.000 0.276 239 L C 1.356 178.221 176.870 -0.008 0.000 1.212 239 L CA 0.121 54.957 54.840 -0.006 0.000 0.893 239 L CB -0.289 41.765 42.059 -0.009 0.000 1.138 239 L HN 0.502 nan 8.230 nan 0.000 0.491 240 S N 2.683 118.379 115.700 -0.007 0.000 2.608 240 S HA 0.110 4.580 4.470 0.001 0.000 0.261 240 S C 0.797 175.390 174.600 -0.013 0.000 1.314 240 S CA -0.675 57.520 58.200 -0.009 0.000 0.992 240 S CB 1.097 64.292 63.200 -0.007 0.000 0.935 240 S HN 0.562 nan 8.310 nan 0.000 0.564 241 L N 1.406 122.621 121.223 -0.014 0.000 2.027 241 L HA 0.192 4.532 4.340 0.001 0.000 0.206 241 L C -1.095 175.761 176.870 -0.023 0.000 1.074 241 L CA 1.504 56.333 54.840 -0.018 0.000 0.745 241 L CB -1.657 40.391 42.059 -0.019 0.000 0.898 241 L HN 0.549 nan 8.230 nan 0.000 0.433 242 P HA -0.183 nan 4.420 nan 0.000 0.220 242 P C 1.298 178.583 177.300 -0.024 0.000 1.148 242 P CA 1.410 64.494 63.100 -0.027 0.000 0.803 242 P CB 0.073 31.758 31.700 -0.025 0.000 0.782 243 E N -0.152 120.038 120.200 -0.017 0.000 2.112 243 E HA -0.109 4.242 4.350 0.001 0.000 0.190 243 E C 1.863 178.452 176.600 -0.017 0.000 0.979 243 E CA 0.616 57.009 56.400 -0.012 0.000 0.814 243 E CB -0.739 28.959 29.700 -0.005 0.000 0.762 243 E HN 0.079 nan 8.360 nan 0.000 0.460 244 L N 0.682 121.893 121.223 -0.020 0.000 2.013 244 L HA -0.246 4.095 4.340 0.001 0.000 0.212 244 L C 2.571 179.422 176.870 -0.031 0.000 1.073 244 L CA 1.763 56.587 54.840 -0.026 0.000 0.753 244 L CB -0.337 41.707 42.059 -0.025 0.000 0.890 244 L HN 0.072 nan 8.230 nan 0.000 0.432 245 K N -0.375 120.005 120.400 -0.032 0.000 1.984 245 K HA -0.143 4.177 4.320 0.001 0.000 0.209 245 K C 1.848 178.425 176.600 -0.039 0.000 1.046 245 K CA 1.443 57.707 56.287 -0.039 0.000 0.934 245 K CB -0.239 32.233 32.500 -0.046 0.000 0.717 245 K HN 0.120 nan 8.250 nan 0.000 0.438 246 D N 0.740 121.119 120.400 -0.036 0.000 2.157 246 D HA -0.203 4.438 4.640 0.001 0.000 0.191 246 D C 2.058 178.357 176.300 -0.002 0.000 1.004 246 D CA 1.253 55.239 54.000 -0.023 0.000 0.854 246 D CB -0.088 40.701 40.800 -0.018 0.000 0.936 246 D HN 0.178 nan 8.370 nan 0.000 0.446 247 Q N -0.302 119.492 119.800 -0.010 0.000 2.119 247 Q HA -0.021 4.320 4.340 0.001 0.000 0.201 247 Q C 2.620 178.599 176.000 -0.036 0.000 0.972 247 Q CA 0.486 56.282 55.803 -0.012 0.000 0.847 247 Q CB -0.022 28.702 28.738 -0.023 0.000 0.903 247 Q HN 0.447 nan 8.270 nan 0.000 0.433 248 I N 0.329 120.870 120.570 -0.049 0.000 2.286 248 I HA -0.228 3.942 4.170 0.001 0.000 0.245 248 I C 2.324 178.436 176.117 -0.008 0.000 1.104 248 I CA 0.577 61.834 61.300 -0.072 0.000 1.397 248 I CB -0.177 37.787 38.000 -0.060 0.000 1.072 248 I HN 0.139 nan 8.210 nan 0.000 0.417 249 L N 0.246 121.485 121.223 0.026 0.000 2.042 249 L HA -0.250 4.091 4.340 0.001 0.000 0.210 249 L C 2.607 179.626 176.870 0.248 0.000 1.076 249 L CA 1.347 56.253 54.840 0.109 0.000 0.749 249 L CB -0.315 41.743 42.059 -0.002 0.000 0.893 249 L HN 0.302 nan 8.230 nan 0.000 0.432 250 L N -0.310 121.021 121.223 0.180 0.000 2.042 250 L HA -0.245 4.096 4.340 0.001 0.000 0.210 250 L C 2.340 179.346 176.870 0.227 0.000 1.076 250 L CA 1.656 56.653 54.840 0.261 0.000 0.749 250 L CB -0.287 41.867 42.059 0.158 0.000 0.893 250 L HN 0.129 nan 8.230 nan 0.000 0.432 251 L N -1.156 120.108 121.223 0.069 0.000 2.083 251 L HA -0.246 4.095 4.340 0.001 0.000 0.209 251 L C 2.487 179.425 176.870 0.114 0.000 1.083 251 L CA 1.359 56.173 54.840 -0.044 0.000 0.752 251 L CB -0.510 41.298 42.059 -0.418 0.000 0.899 251 L HN 0.368 nan 8.230 nan 0.000 0.433 252 L N -1.468 119.870 121.223 0.192 0.000 2.023 252 L HA -0.217 4.123 4.340 0.001 0.000 0.205 252 L C 2.549 179.758 176.870 0.565 0.000 1.073 252 L CA 1.052 56.025 54.840 0.221 0.000 0.745 252 L CB -0.663 41.364 42.059 -0.054 0.000 0.900 252 L HN 0.150 nan 8.230 nan 0.000 0.435 253 F N 1.602 121.939 119.950 0.645 0.000 2.027 253 F HA -0.347 4.181 4.527 0.001 0.000 0.297 253 F C 2.394 178.443 175.800 0.415 0.000 1.129 253 F CA 1.625 59.975 58.000 0.583 0.000 1.195 253 F CB -0.803 38.413 39.000 0.360 0.000 0.960 253 F HN 0.009 nan 8.300 nan 0.000 0.485 254 A N -0.239 122.428 122.820 -0.255 0.000 2.076 254 A HA 0.022 4.343 4.320 0.001 0.000 0.220 254 A C 2.287 179.816 177.584 -0.091 0.000 1.160 254 A CA 1.549 53.332 52.037 -0.424 0.000 0.653 254 A CB -1.667 17.233 19.000 -0.167 0.000 0.801 254 A HN 0.645 nan 8.150 nan 0.000 0.455 255 G N -2.811 106.054 108.800 0.107 0.000 3.020 255 G HA2 0.186 4.147 3.960 0.001 0.000 0.217 255 G HA3 0.186 4.147 3.960 0.001 0.000 0.217 255 G C 1.134 176.188 174.900 0.256 0.000 1.144 255 G CA 0.723 45.942 45.100 0.199 0.000 0.760 255 G HN 0.614 nan 8.290 nan 0.000 0.548 256 H N 1.149 120.360 119.070 0.236 0.000 2.290 256 H HA 0.053 4.609 4.556 0.001 0.000 0.306 256 H C 2.359 177.826 175.328 0.232 0.000 1.049 256 H CA 1.855 58.102 56.048 0.331 0.000 1.288 256 H CB 0.033 30.175 29.762 0.633 0.000 1.406 256 H HN 0.192 nan 8.280 nan 0.000 0.515 257 E N -0.620 119.650 120.200 0.117 0.000 2.204 257 E HA -0.117 4.234 4.350 0.001 0.000 0.195 257 E C 2.169 178.789 176.600 0.034 0.000 0.990 257 E CA 1.588 58.012 56.400 0.041 0.000 0.821 257 E CB -0.202 29.608 29.700 0.183 0.000 0.750 257 E HN 0.738 nan 8.360 nan 0.000 0.477 258 T N -0.848 113.732 114.554 0.043 0.000 2.639 258 T HA -0.180 4.171 4.350 0.001 0.000 0.261 258 T C 1.837 176.538 174.700 0.001 0.000 1.053 258 T CA 1.130 63.245 62.100 0.025 0.000 1.158 258 T CB -0.636 68.254 68.868 0.037 0.000 0.863 258 T HN 0.145 nan 8.240 nan 0.000 0.413 259 L N 1.803 123.036 121.223 0.017 0.000 2.046 259 L HA -0.006 4.334 4.340 0.001 0.000 0.208 259 L C 2.665 179.450 176.870 -0.142 0.000 1.077 259 L CA 2.021 56.847 54.840 -0.022 0.000 0.747 259 L CB -1.471 40.611 42.059 0.038 0.000 0.896 259 L HN 0.352 nan 8.230 nan 0.000 0.432 260 T N -1.212 113.222 114.554 -0.200 0.000 2.624 260 T HA -0.282 4.069 4.350 0.001 0.000 0.268 260 T C 2.075 176.576 174.700 -0.332 0.000 1.041 260 T CA 1.962 63.836 62.100 -0.377 0.000 1.159 260 T CB -0.627 67.936 68.868 -0.507 0.000 0.863 260 T HN 0.523 nan 8.240 nan 0.000 0.434 261 S N 0.891 116.525 115.700 -0.111 0.000 2.374 261 S HA -0.162 4.309 4.470 0.001 0.000 0.227 261 S C 2.358 176.948 174.600 -0.016 0.000 1.037 261 S CA 1.621 59.854 58.200 0.055 0.000 1.024 261 S CB -0.616 62.634 63.200 0.084 0.000 0.861 261 S HN 0.541 nan 8.310 nan 0.000 0.456 262 A N 1.334 124.117 122.820 -0.061 0.000 1.877 262 A HA 0.033 4.354 4.320 0.001 0.000 0.216 262 A C 2.293 179.833 177.584 -0.074 0.000 1.186 262 A CA 1.619 53.623 52.037 -0.055 0.000 0.620 262 A CB -0.849 18.117 19.000 -0.056 0.000 0.822 262 A HN 0.590 nan 8.150 nan 0.000 0.443 263 L N 0.069 121.173 121.223 -0.198 0.000 2.056 263 L HA -0.158 4.183 4.340 0.001 0.000 0.207 263 L C 3.058 179.768 176.870 -0.267 0.000 1.078 263 L CA 1.547 56.198 54.840 -0.315 0.000 0.749 263 L CB -0.549 41.110 42.059 -0.667 0.000 0.901 263 L HN 0.621 nan 8.230 nan 0.000 0.433 264 S N -0.922 114.606 115.700 -0.286 0.000 2.368 264 S HA -0.193 4.278 4.470 0.001 0.000 0.225 264 S C 2.125 176.693 174.600 -0.054 0.000 1.030 264 S CA 1.687 59.774 58.200 -0.189 0.000 0.999 264 S CB -0.367 62.839 63.200 0.010 0.000 0.844 264 S HN 0.334 nan 8.310 nan 0.000 0.459 265 S N 0.849 116.546 115.700 -0.005 0.000 2.383 265 S HA 0.051 4.522 4.470 0.001 0.000 0.227 265 S C 1.333 175.938 174.600 0.008 0.000 1.026 265 S CA 1.234 59.439 58.200 0.008 0.000 0.981 265 S CB -0.614 62.597 63.200 0.017 0.000 0.818 265 S HN 0.695 nan 8.310 nan 0.000 0.472 266 F N 1.350 121.248 119.950 -0.086 0.000 2.186 266 F HA -0.100 4.428 4.527 0.001 0.000 0.299 266 F C 2.232 178.043 175.800 0.018 0.000 1.090 266 F CA 0.746 58.725 58.000 -0.036 0.000 1.307 266 F CB -0.516 38.493 39.000 0.014 0.000 1.019 266 F HN 0.170 nan 8.300 nan 0.000 0.489 267 C N 0.485 119.737 119.300 -0.081 0.000 2.435 267 C HA -0.062 4.398 4.460 0.001 0.000 0.279 267 C C 2.774 177.813 174.990 0.081 0.000 1.321 267 C CA 0.856 59.719 59.018 -0.258 0.000 1.752 267 C CB -1.345 25.959 27.740 -0.727 0.000 1.959 267 C HN 0.660 nan 8.230 nan 0.000 0.500 268 L N 0.050 121.289 121.223 0.026 0.000 1.993 268 L HA -0.091 4.249 4.340 0.001 0.000 0.206 268 L C 2.364 179.247 176.870 0.023 0.000 1.074 268 L CA 1.709 56.592 54.840 0.071 0.000 0.746 268 L CB -0.340 41.732 42.059 0.021 0.000 0.896 268 L HN 0.282 nan 8.230 nan 0.000 0.435 269 L N -0.575 120.559 121.223 -0.148 0.000 2.141 269 L HA -0.198 4.143 4.340 0.001 0.000 0.209 269 L C 2.234 178.987 176.870 -0.194 0.000 1.094 269 L CA 0.515 55.166 54.840 -0.315 0.000 0.763 269 L CB -0.273 41.231 42.059 -0.925 0.000 0.908 269 L HN 0.329 nan 8.230 nan 0.000 0.437 270 L N -0.814 120.288 121.223 -0.201 0.000 2.446 270 L HA 0.089 4.430 4.340 0.001 0.000 0.219 270 L C 2.447 179.226 176.870 -0.151 0.000 1.116 270 L CA 1.039 55.805 54.840 -0.123 0.000 0.844 270 L CB -1.491 40.376 42.059 -0.319 0.000 0.970 270 L HN 0.235 nan 8.230 nan 0.000 0.457 271 G N 1.090 109.951 108.800 0.101 0.000 2.511 271 G HA2 -0.293 3.668 3.960 0.001 0.000 0.216 271 G HA3 -0.293 3.668 3.960 0.001 0.000 0.216 271 G C 1.304 176.116 174.900 -0.147 0.000 1.218 271 G CA 0.756 45.815 45.100 -0.068 0.000 0.788 271 G HN 0.590 nan 8.290 nan 0.000 0.560 272 Q N -0.554 119.233 119.800 -0.021 0.000 2.472 272 Q HA 0.056 4.396 4.340 0.001 0.000 0.208 272 Q C 0.066 175.972 176.000 -0.156 0.000 0.958 272 Q CA 0.673 56.432 55.803 -0.073 0.000 0.932 272 Q CB -0.024 28.680 28.738 -0.057 0.000 1.007 272 Q HN 0.608 nan 8.270 nan 0.000 0.508 273 H N 0.733 119.773 119.070 -0.049 0.000 2.439 273 H HA 0.186 4.743 4.556 0.001 0.000 0.239 273 H C 0.386 175.705 175.328 -0.015 0.000 1.432 273 H CA -0.111 55.953 56.048 0.026 0.000 1.373 273 H CB 1.047 30.907 29.762 0.163 0.000 1.463 273 H HN 0.320 nan 8.280 nan 0.000 0.530 274 S N 0.173 115.872 115.700 -0.001 0.000 2.481 274 S HA -0.171 4.300 4.470 0.001 0.000 0.231 274 S C 1.669 176.269 174.600 0.000 0.000 0.996 274 S CA 0.954 59.114 58.200 -0.067 0.000 0.942 274 S CB 0.170 63.304 63.200 -0.111 0.000 0.768 274 S HN 0.642 nan 8.310 nan 0.000 0.520 275 D N 2.813 123.246 120.400 0.056 0.000 2.103 275 D HA -0.096 4.545 4.640 0.001 0.000 0.199 275 D C 1.991 178.357 176.300 0.110 0.000 0.978 275 D CA 0.855 54.896 54.000 0.068 0.000 0.829 275 D CB -0.785 40.058 40.800 0.073 0.000 0.981 275 D HN 0.513 nan 8.370 nan 0.000 0.464 276 I N 0.410 121.091 120.570 0.185 0.000 2.264 276 I HA -0.240 3.931 4.170 0.001 0.000 0.248 276 I C 2.888 179.161 176.117 0.260 0.000 1.111 276 I CA 0.980 62.443 61.300 0.271 0.000 1.382 276 I CB -0.443 37.757 38.000 0.332 0.000 1.060 276 I HN 0.016 nan 8.210 nan 0.000 0.418 277 R N 1.274 121.865 120.500 0.152 0.000 2.075 277 R HA -0.186 4.155 4.340 0.001 0.000 0.232 277 R C 2.454 178.823 176.300 0.114 0.000 1.126 277 R CA 1.994 58.158 56.100 0.106 0.000 0.963 277 R CB -0.214 30.035 30.300 -0.086 0.000 0.858 277 R HN 0.445 nan 8.270 nan 0.000 0.435 278 E N 1.261 121.504 120.200 0.070 0.000 2.150 278 E HA -0.166 4.185 4.350 0.001 0.000 0.193 278 E C 1.978 178.620 176.600 0.069 0.000 0.985 278 E CA 1.182 57.617 56.400 0.058 0.000 0.814 278 E CB -0.472 29.244 29.700 0.026 0.000 0.752 278 E HN 0.467 nan 8.360 nan 0.000 0.466 279 R N -0.237 120.311 120.500 0.080 0.000 2.083 279 R HA -0.091 4.250 4.340 0.001 0.000 0.237 279 R C 2.542 178.916 176.300 0.123 0.000 1.137 279 R CA 1.547 57.660 56.100 0.022 0.000 0.951 279 R CB -0.642 29.611 30.300 -0.079 0.000 0.851 279 R HN 0.402 nan 8.270 nan 0.000 0.434 280 V N 0.759 120.843 119.914 0.285 0.000 2.490 280 V HA -0.222 3.898 4.120 0.001 0.000 0.250 280 V C 2.397 178.609 176.094 0.196 0.000 1.061 280 V CA 1.582 64.069 62.300 0.311 0.000 1.064 280 V CB -0.564 31.459 31.823 0.334 0.000 0.670 280 V HN 0.301 nan 8.190 nan 0.000 0.461 281 R N -0.524 120.068 120.500 0.153 0.000 2.073 281 R HA -0.118 4.223 4.340 0.001 0.000 0.229 281 R C 2.485 178.833 176.300 0.081 0.000 1.120 281 R CA 1.048 57.216 56.100 0.113 0.000 0.967 281 R CB -0.089 30.268 30.300 0.095 0.000 0.862 281 R HN 0.409 nan 8.270 nan 0.000 0.436 282 Q N 0.471 120.307 119.800 0.061 0.000 2.124 282 Q HA -0.213 4.127 4.340 0.001 0.000 0.202 282 Q C 1.720 177.745 176.000 0.040 0.000 0.977 282 Q CA 1.537 57.361 55.803 0.034 0.000 0.850 282 Q CB -0.183 28.558 28.738 0.006 0.000 0.901 282 Q HN 0.498 nan 8.270 nan 0.000 0.429 283 E N 0.686 120.924 120.200 0.064 0.000 2.085 283 E HA -0.237 4.114 4.350 0.001 0.000 0.194 283 E C 1.848 178.491 176.600 0.073 0.000 0.994 283 E CA 1.290 57.737 56.400 0.080 0.000 0.801 283 E CB 0.122 29.908 29.700 0.144 0.000 0.743 283 E HN 0.432 nan 8.360 nan 0.000 0.453 284 Q N -0.150 119.698 119.800 0.080 0.000 2.119 284 Q HA -0.126 4.215 4.340 0.001 0.000 0.201 284 Q C 1.851 177.880 176.000 0.050 0.000 0.972 284 Q CA 1.685 57.528 55.803 0.068 0.000 0.847 284 Q CB -0.089 28.696 28.738 0.077 0.000 0.903 284 Q HN 0.411 nan 8.270 nan 0.000 0.433 285 N N 0.511 119.237 118.700 0.045 0.000 2.216 285 N HA -0.103 4.638 4.740 0.001 0.000 0.183 285 N C 1.391 176.917 175.510 0.026 0.000 1.017 285 N CA 0.720 53.789 53.050 0.032 0.000 0.861 285 N CB 0.061 38.564 38.487 0.028 0.000 0.986 285 N HN 0.075 nan 8.380 nan 0.000 0.428 286 K N 0.091 120.507 120.400 0.026 0.000 2.209 286 K HA -0.044 4.277 4.320 0.001 0.000 0.204 286 K C -0.120 176.494 176.600 0.023 0.000 1.048 286 K CA 0.484 56.784 56.287 0.021 0.000 0.940 286 K CB 0.033 32.545 32.500 0.020 0.000 0.729 286 K HN 0.038 nan 8.250 nan 0.000 0.451 287 L N 1.100 122.340 121.223 0.029 0.000 2.417 287 L HA 0.055 4.395 4.340 0.001 0.000 0.268 287 L C 1.040 177.924 176.870 0.023 0.000 1.158 287 L CA 0.689 55.545 54.840 0.027 0.000 0.819 287 L CB 0.282 42.360 42.059 0.032 0.000 1.112 287 L HN 0.124 nan 8.230 nan 0.000 0.458 288 Q N 4.730 124.542 119.800 0.019 0.000 3.041 288 Q HA 0.432 4.773 4.340 0.001 0.000 0.372 288 Q C -0.283 175.727 176.000 0.017 0.000 1.241 288 Q CA -0.282 55.531 55.803 0.016 0.000 1.010 288 Q CB -0.635 28.111 28.738 0.013 0.000 1.467 288 Q HN 0.630 nan 8.270 nan 0.000 0.462 289 L N -1.521 119.714 121.223 0.020 0.000 2.334 289 L HA 0.843 5.184 4.340 0.001 0.000 0.277 289 L C -0.020 176.862 176.870 0.019 0.000 1.075 289 L CA -0.653 54.200 54.840 0.021 0.000 0.804 289 L CB 1.779 43.854 42.059 0.026 0.000 1.174 289 L HN 0.223 nan 8.230 nan 0.000 0.438 290 S N 1.874 117.584 115.700 0.017 0.000 2.521 290 S HA 0.371 4.841 4.470 0.001 0.000 0.278 290 S C 0.805 175.415 174.600 0.017 0.000 1.140 290 S CA 0.129 58.338 58.200 0.015 0.000 1.028 290 S CB 0.507 63.714 63.200 0.012 0.000 1.203 290 S HN 0.802 nan 8.310 nan 0.000 0.491 291 Q N -0.209 119.601 119.800 0.015 0.000 2.247 291 Q HA 0.325 4.665 4.340 0.001 0.000 0.234 291 Q C -0.168 175.843 176.000 0.017 0.000 0.899 291 Q CA 0.195 56.009 55.803 0.019 0.000 0.951 291 Q CB -0.740 28.008 28.738 0.017 0.000 1.057 291 Q HN 0.593 nan 8.270 nan 0.000 0.444 292 E N 0.102 120.311 120.200 0.016 0.000 2.182 292 E HA 0.552 4.903 4.350 0.001 0.000 0.258 292 E C -1.370 175.239 176.600 0.015 0.000 0.879 292 E CA -0.501 55.908 56.400 0.014 0.000 0.754 292 E CB 1.541 31.247 29.700 0.011 0.000 1.162 292 E HN 0.465 nan 8.360 nan 0.000 0.419 293 L N 3.207 124.439 121.223 0.015 0.000 2.325 293 L HA 0.400 4.741 4.340 0.001 0.000 0.281 293 L C 0.256 177.132 176.870 0.011 0.000 1.004 293 L CA -0.491 54.358 54.840 0.015 0.000 0.823 293 L CB 1.829 43.899 42.059 0.017 0.000 1.236 293 L HN 0.553 nan 8.230 nan 0.000 0.415 294 T N -0.659 113.901 114.554 0.009 0.000 2.936 294 T HA 0.479 4.830 4.350 0.001 0.000 0.282 294 T C 1.099 175.801 174.700 0.003 0.000 1.003 294 T CA -0.132 61.971 62.100 0.005 0.000 1.005 294 T CB 1.908 70.778 68.868 0.004 0.000 1.097 294 T HN 0.546 nan 8.240 nan 0.000 0.532 295 A N 0.341 123.160 122.820 -0.001 0.000 1.972 295 A HA -0.064 4.257 4.320 0.001 0.000 0.219 295 A C 2.174 179.758 177.584 -0.000 0.000 1.169 295 A CA 1.071 53.105 52.037 -0.004 0.000 0.635 295 A CB -0.741 18.252 19.000 -0.011 0.000 0.810 295 A HN 0.831 nan 8.150 nan 0.000 0.446 296 E N -0.242 119.958 120.200 0.001 0.000 2.152 296 E HA -0.082 4.269 4.350 0.001 0.000 0.192 296 E C 2.040 178.646 176.600 0.009 0.000 0.983 296 E CA 1.586 57.988 56.400 0.004 0.000 0.818 296 E CB -0.919 28.784 29.700 0.004 0.000 0.758 296 E HN 0.641 nan 8.360 nan 0.000 0.467 297 T N 1.756 116.316 114.554 0.010 0.000 2.867 297 T HA -0.022 4.328 4.350 0.001 0.000 0.268 297 T C 2.092 176.802 174.700 0.018 0.000 1.057 297 T CA 0.564 62.673 62.100 0.015 0.000 1.136 297 T CB -0.136 68.742 68.868 0.016 0.000 0.874 297 T HN 0.077 nan 8.240 nan 0.000 0.466 298 L N 0.267 121.498 121.223 0.013 0.000 2.275 298 L HA 0.038 4.379 4.340 0.001 0.000 0.215 298 L C 1.922 178.799 176.870 0.012 0.000 1.119 298 L CA 1.035 55.882 54.840 0.011 0.000 0.790 298 L CB -0.362 41.699 42.059 0.002 0.000 0.919 298 L HN 0.175 nan 8.230 nan 0.000 0.443 299 K N 0.278 120.686 120.400 0.013 0.000 2.520 299 K HA 0.066 4.386 4.320 0.001 0.000 0.205 299 K C 0.368 176.980 176.600 0.021 0.000 1.035 299 K CA 0.150 56.446 56.287 0.014 0.000 1.188 299 K CB 0.190 32.696 32.500 0.010 0.000 0.894 299 K HN 0.140 nan 8.250 nan 0.000 0.497 300 K N 0.602 121.018 120.400 0.027 0.000 2.792 300 K HA 0.288 4.609 4.320 0.001 0.000 0.207 300 K C -0.164 176.465 176.600 0.048 0.000 1.103 300 K CA -0.047 56.261 56.287 0.034 0.000 1.048 300 K CB 0.650 33.169 32.500 0.031 0.000 0.777 300 K HN 0.015 nan 8.250 nan 0.000 0.468 301 M N 1.435 121.064 119.600 0.048 0.000 3.062 301 M HA 0.162 4.642 4.480 0.001 0.000 0.270 301 M C -1.979 174.360 176.300 0.065 0.000 1.270 301 M CA -1.586 53.753 55.300 0.065 0.000 0.702 301 M CB 1.021 33.652 32.600 0.052 0.000 1.398 301 M HN -0.128 nan 8.290 nan 0.000 0.490 302 P HA -0.199 nan 4.420 nan 0.000 0.220 302 P C 1.056 178.416 177.300 0.101 0.000 1.148 302 P CA 1.407 64.553 63.100 0.076 0.000 0.803 302 P CB 0.074 31.825 31.700 0.084 0.000 0.782 303 Y N 0.903 121.226 120.300 0.039 0.000 2.220 303 Y HA -0.065 4.486 4.550 0.001 0.000 0.291 303 Y C 2.306 178.242 175.900 0.061 0.000 1.129 303 Y CA 0.812 58.940 58.100 0.046 0.000 1.161 303 Y CB -0.993 37.496 38.460 0.048 0.000 0.997 303 Y HN -0.245 nan 8.280 nan 0.000 0.522 304 L N 0.481 121.688 121.223 -0.025 0.000 2.131 304 L HA -0.166 4.175 4.340 0.001 0.000 0.210 304 L C 1.699 178.512 176.870 -0.097 0.000 1.092 304 L CA 1.979 56.786 54.840 -0.055 0.000 0.759 304 L CB -0.948 41.137 42.059 0.043 0.000 0.903 304 L HN 0.123 nan 8.230 nan 0.000 0.435 305 D N -0.643 119.714 120.400 -0.071 0.000 2.123 305 D HA -0.217 4.424 4.640 0.001 0.000 0.196 305 D C 2.185 178.405 176.300 -0.132 0.000 0.992 305 D CA 1.357 55.315 54.000 -0.069 0.000 0.833 305 D CB -0.063 40.721 40.800 -0.028 0.000 0.954 305 D HN 0.514 nan 8.370 nan 0.000 0.455 306 Q N 0.026 119.720 119.800 -0.176 0.000 2.084 306 Q HA -0.094 4.246 4.340 0.001 0.000 0.202 306 Q C 2.398 178.228 176.000 -0.283 0.000 0.978 306 Q CA 0.846 56.521 55.803 -0.214 0.000 0.844 306 Q CB 0.022 28.650 28.738 -0.185 0.000 0.898 306 Q HN 0.141 nan 8.270 nan 0.000 0.426 307 V N 1.199 120.914 119.914 -0.331 0.000 2.287 307 V HA -0.289 3.831 4.120 0.001 0.000 0.248 307 V C 2.175 178.290 176.094 0.036 0.000 1.053 307 V CA 1.724 63.938 62.300 -0.144 0.000 1.027 307 V CB -0.577 31.232 31.823 -0.022 0.000 0.646 307 V HN 0.365 nan 8.190 nan 0.000 0.447 308 L N -0.617 120.599 121.223 -0.012 0.000 2.141 308 L HA -0.160 4.181 4.340 0.001 0.000 0.209 308 L C 2.761 179.604 176.870 -0.045 0.000 1.094 308 L CA 1.127 55.975 54.840 0.013 0.000 0.763 308 L CB -0.634 41.409 42.059 -0.026 0.000 0.908 308 L HN 0.338 nan 8.230 nan 0.000 0.437 309 Q N -0.103 119.564 119.800 -0.222 0.000 2.124 309 Q HA -0.246 4.095 4.340 0.001 0.000 0.202 309 Q C 2.090 177.770 176.000 -0.532 0.000 0.977 309 Q CA 1.539 57.036 55.803 -0.510 0.000 0.850 309 Q CB -0.061 27.968 28.738 -1.182 0.000 0.901 309 Q HN 0.419 nan 8.270 nan 0.000 0.429 310 E N 0.137 120.143 120.200 -0.324 0.000 2.112 310 E HA -0.066 4.284 4.350 0.001 0.000 0.190 310 E C 1.995 178.746 176.600 0.251 0.000 0.979 310 E CA 0.473 56.860 56.400 -0.021 0.000 0.814 310 E CB -0.008 29.619 29.700 -0.122 0.000 0.762 310 E HN 0.045 nan 8.360 nan 0.000 0.460 311 V N 0.978 121.088 119.914 0.326 0.000 2.231 311 V HA -0.292 3.829 4.120 0.001 0.000 0.248 311 V C 2.403 178.584 176.094 0.144 0.000 1.054 311 V CA 2.005 64.462 62.300 0.262 0.000 1.015 311 V CB -0.598 31.363 31.823 0.230 0.000 0.638 311 V HN 0.323 nan 8.190 nan 0.000 0.444 312 L N -0.532 120.749 121.223 0.096 0.000 2.450 312 L HA -0.106 4.235 4.340 0.001 0.000 0.224 312 L C 2.637 179.595 176.870 0.147 0.000 1.149 312 L CA 0.998 55.859 54.840 0.035 0.000 0.816 312 L CB -0.530 41.484 42.059 -0.075 0.000 0.932 312 L HN 0.251 nan 8.230 nan 0.000 0.449 313 R N 0.409 121.047 120.500 0.230 0.000 2.075 313 R HA -0.038 4.303 4.340 0.001 0.000 0.220 313 R C 2.151 178.551 176.300 0.166 0.000 1.118 313 R CA 1.137 57.378 56.100 0.235 0.000 0.986 313 R CB -0.312 30.052 30.300 0.108 0.000 0.884 313 R HN 0.271 nan 8.270 nan 0.000 0.439 314 L N 0.709 122.015 121.223 0.138 0.000 2.095 314 L HA 0.182 4.523 4.340 0.001 0.000 0.204 314 L C 0.558 177.487 176.870 0.098 0.000 1.080 314 L CA 1.605 56.516 54.840 0.118 0.000 0.759 314 L CB 0.103 42.269 42.059 0.178 0.000 0.914 314 L HN 0.050 nan 8.230 nan 0.000 0.439 315 I N 2.221 122.843 120.570 0.086 0.000 2.621 315 I HA 0.284 4.454 4.170 0.001 0.000 0.276 315 I C -2.322 173.807 176.117 0.021 0.000 1.118 315 I CA -1.727 59.600 61.300 0.045 0.000 1.159 315 I CB 0.814 38.831 38.000 0.028 0.000 1.357 315 I HN 0.037 nan 8.210 nan 0.000 0.513 316 P HA 0.178 nan 4.420 nan 0.000 0.271 316 P C -2.247 175.002 177.300 -0.085 0.000 1.233 316 P CA -1.348 61.702 63.100 -0.083 0.000 0.764 316 P CB 0.727 32.307 31.700 -0.200 0.000 0.825 317 P HA -0.088 nan 4.420 nan 0.000 0.218 317 P C 0.168 177.435 177.300 -0.055 0.000 1.149 317 P CA 1.161 64.226 63.100 -0.059 0.000 0.817 317 P CB 0.260 31.919 31.700 -0.068 0.000 0.785 318 V N -0.179 119.681 119.914 -0.090 0.000 2.384 318 V HA 0.380 4.501 4.120 0.001 0.000 0.287 318 V C 1.632 177.662 176.094 -0.107 0.000 1.020 318 V CA -0.138 62.120 62.300 -0.071 0.000 0.850 318 V CB 0.962 32.758 31.823 -0.045 0.000 0.987 318 V HN 0.040 nan 8.190 nan 0.000 0.436 319 G N 3.006 111.751 108.800 -0.092 0.000 2.448 319 G HA2 0.379 4.340 3.960 0.001 0.000 0.219 319 G HA3 0.379 4.340 3.960 0.001 0.000 0.219 319 G C 0.691 175.486 174.900 -0.174 0.000 1.127 319 G CA 1.031 46.069 45.100 -0.104 0.000 0.766 319 G HN 1.305 nan 8.290 nan 0.000 0.552 320 G N -2.399 106.252 108.800 -0.248 0.000 2.373 320 G HA2 0.566 4.526 3.960 0.001 0.000 0.250 320 G HA3 0.566 4.526 3.960 0.001 0.000 0.250 320 G C -0.319 174.229 174.900 -0.587 0.000 1.304 320 G CA 0.089 44.844 45.100 -0.575 0.000 0.948 320 G HN 1.432 nan 8.290 nan 0.000 0.474 321 G N -1.960 106.318 108.800 -0.871 0.000 2.340 321 G HA2 0.666 4.627 3.960 0.001 0.000 0.299 321 G HA3 0.666 4.627 3.960 0.001 0.000 0.299 321 G C -2.228 172.324 174.900 -0.581 0.000 1.291 321 G CA -0.448 44.381 45.100 -0.452 0.000 0.841 321 G HN 1.058 nan 8.290 nan 0.000 0.500 322 F N 0.155 119.939 119.950 -0.276 0.000 2.581 322 F HA 0.786 5.314 4.527 0.001 0.000 0.311 322 F C 0.284 175.963 175.800 -0.202 0.000 1.113 322 F CA -0.867 56.980 58.000 -0.254 0.000 0.935 322 F CB 2.613 41.437 39.000 -0.293 0.000 1.232 322 F HN 0.252 nan 8.300 nan 0.000 0.445 323 R N 0.874 121.388 120.500 0.023 0.000 2.912 323 R HA 0.506 4.846 4.340 0.001 0.000 0.262 323 R C -1.269 175.091 176.300 0.101 0.000 1.057 323 R CA -1.019 55.108 56.100 0.044 0.000 0.981 323 R CB 2.324 32.659 30.300 0.059 0.000 1.201 323 R HN 0.741 nan 8.270 nan 0.000 0.484 324 E N 1.554 121.819 120.200 0.108 0.000 2.210 324 E HA 0.222 4.573 4.350 0.001 0.000 0.266 324 E C -0.698 175.953 176.600 0.085 0.000 0.883 324 E CA -0.837 55.620 56.400 0.095 0.000 0.761 324 E CB 1.160 30.887 29.700 0.046 0.000 1.156 324 E HN 0.139 nan 8.360 nan 0.000 0.412 325 L N 6.298 127.561 121.223 0.067 0.000 2.500 325 L HA 0.060 4.401 4.340 0.001 0.000 0.272 325 L C 0.955 177.798 176.870 -0.044 0.000 1.149 325 L CA 0.850 55.662 54.840 -0.048 0.000 0.897 325 L CB -0.298 41.760 42.059 -0.002 0.000 1.178 325 L HN 0.668 nan 8.230 nan 0.000 0.473 326 I N 0.725 121.237 120.570 -0.097 0.000 3.793 326 I HA 0.162 4.332 4.170 0.001 0.000 0.315 326 I C 0.760 176.841 176.117 -0.059 0.000 1.275 326 I CA 0.148 61.415 61.300 -0.055 0.000 1.214 326 I CB -0.089 37.880 38.000 -0.050 0.000 1.018 326 I HN 0.616 nan 8.210 nan 0.000 0.439 327 Q N 1.095 120.840 119.800 -0.091 0.000 2.391 327 Q HA 0.220 4.561 4.340 0.001 0.000 0.279 327 Q C -1.494 174.466 176.000 -0.067 0.000 1.028 327 Q CA -0.623 55.135 55.803 -0.074 0.000 0.836 327 Q CB 2.890 31.567 28.738 -0.102 0.000 1.414 327 Q HN 0.118 nan 8.270 nan 0.000 0.397 328 D N 1.712 122.099 120.400 -0.022 0.000 2.390 328 D HA 0.287 4.927 4.640 0.001 0.000 0.249 328 D C -0.170 176.141 176.300 0.018 0.000 1.144 328 D CA 0.518 54.522 54.000 0.006 0.000 0.880 328 D CB 0.551 41.395 40.800 0.072 0.000 1.182 328 D HN 0.636 nan 8.370 nan 0.000 0.451 329 C N 2.005 121.324 119.300 0.032 0.000 3.316 329 C HA 0.710 5.171 4.460 0.001 0.000 0.360 329 C C -1.311 173.739 174.990 0.101 0.000 1.560 329 C CA -0.767 58.291 59.018 0.065 0.000 1.229 329 C CB 1.941 29.706 27.740 0.042 0.000 1.823 329 C HN 0.638 nan 8.230 nan 0.000 0.440 330 Q N 0.363 120.181 119.800 0.030 0.000 2.340 330 Q HA 0.733 5.074 4.340 0.001 0.000 0.276 330 Q C -2.318 173.472 176.000 -0.351 0.000 1.048 330 Q CA -0.258 55.511 55.803 -0.057 0.000 0.832 330 Q CB 2.695 31.444 28.738 0.018 0.000 1.373 330 Q HN 1.090 nan 8.270 nan 0.000 0.409 331 F N 3.075 122.619 119.950 -0.678 0.000 2.635 331 F HA 0.221 4.749 4.527 0.001 0.000 0.314 331 F C -0.821 174.762 175.800 -0.361 0.000 1.119 331 F CA -0.331 57.134 58.000 -0.892 0.000 1.000 331 F CB 1.463 39.273 39.000 -1.982 0.000 1.278 331 F HN 0.708 nan 8.300 nan 0.000 0.446 332 Q N 4.117 123.267 119.800 -1.084 0.000 2.434 332 Q HA -0.210 4.131 4.340 0.001 0.000 0.299 332 Q C 1.213 176.970 176.000 -0.406 0.000 1.286 332 Q CA 1.610 56.983 55.803 -0.717 0.000 0.872 332 Q CB -1.817 26.514 28.738 -0.678 0.000 1.193 332 Q HN 1.813 nan 8.270 nan 0.000 0.466 333 G N -1.319 107.295 108.800 -0.309 0.000 2.228 333 G HA2 -0.370 3.591 3.960 0.001 0.000 0.270 333 G HA3 -0.370 3.591 3.960 0.001 0.000 0.270 333 G C 0.167 174.985 174.900 -0.137 0.000 0.976 333 G CA 0.672 45.636 45.100 -0.227 0.000 0.636 333 G HN 0.419 nan 8.290 nan 0.000 0.542 334 F N 0.071 120.010 119.950 -0.020 0.000 2.406 334 F HA 0.562 5.089 4.527 0.001 0.000 0.327 334 F C 1.074 177.009 175.800 0.226 0.000 1.153 334 F CA -0.453 57.621 58.000 0.124 0.000 1.218 334 F CB 0.689 39.845 39.000 0.260 0.000 1.215 334 F HN 0.165 nan 8.300 nan 0.000 0.570 335 H N 1.921 121.216 119.070 0.375 0.000 2.517 335 H HA 0.325 4.882 4.556 0.001 0.000 0.317 335 H C -1.435 173.992 175.328 0.166 0.000 1.080 335 H CA -0.798 55.361 56.048 0.186 0.000 1.301 335 H CB 0.398 30.176 29.762 0.027 0.000 1.425 335 H HN 0.398 nan 8.280 nan 0.000 0.471 336 F N 7.611 127.262 119.950 -0.498 0.000 2.359 336 F HA 0.305 4.833 4.527 0.001 0.000 0.370 336 F C -2.155 173.223 175.800 -0.703 0.000 1.077 336 F CA -2.210 55.499 58.000 -0.485 0.000 1.136 336 F CB 1.319 40.264 39.000 -0.092 0.000 1.387 336 F HN 0.523 nan 8.300 nan 0.000 0.468 337 P HA 0.073 nan 4.420 nan 0.000 0.274 337 P C -0.311 176.806 177.300 -0.305 0.000 1.237 337 P CA -0.553 62.069 63.100 -0.797 0.000 0.793 337 P CB 0.794 31.842 31.700 -1.086 0.000 0.977 338 K N 0.899 121.242 120.400 -0.096 0.000 2.494 338 K HA 0.078 4.399 4.320 0.001 0.000 0.273 338 K C 1.394 178.081 176.600 0.144 0.000 0.970 338 K CA 1.371 57.671 56.287 0.022 0.000 0.963 338 K CB -0.555 31.966 32.500 0.036 0.000 0.913 338 K HN 0.834 nan 8.250 nan 0.000 0.502 339 G N 1.793 110.668 108.800 0.124 0.000 2.216 339 G HA2 -0.247 3.714 3.960 0.001 0.000 0.269 339 G HA3 -0.247 3.714 3.960 0.001 0.000 0.269 339 G C -0.292 174.728 174.900 0.200 0.000 0.981 339 G CA 0.685 45.868 45.100 0.137 0.000 0.658 339 G HN 0.534 nan 8.290 nan 0.000 0.539 340 W N -0.269 120.999 121.300 -0.054 0.000 2.141 340 W HA 0.725 5.385 4.660 0.001 0.000 0.354 340 W C 0.900 177.388 176.519 -0.052 0.000 1.297 340 W CA -0.763 56.541 57.345 -0.069 0.000 1.380 340 W CB 0.307 29.710 29.460 -0.096 0.000 1.168 340 W HN 0.045 nan 8.180 nan 0.000 0.639 341 L N 1.419 122.729 121.223 0.144 0.000 2.334 341 L HA 0.714 5.055 4.340 0.001 0.000 0.270 341 L C -0.563 176.340 176.870 0.056 0.000 1.018 341 L CA -1.396 53.496 54.840 0.088 0.000 0.811 341 L CB 1.203 43.288 42.059 0.044 0.000 1.271 341 L HN -0.065 nan 8.230 nan 0.000 0.443 342 V N 0.186 120.117 119.914 0.028 0.000 2.656 342 V HA 0.490 4.610 4.120 0.001 0.000 0.307 342 V C -0.342 175.554 176.094 -0.329 0.000 1.051 342 V CA -0.595 61.656 62.300 -0.082 0.000 0.893 342 V CB 1.746 33.664 31.823 0.159 0.000 0.999 342 V HN 0.786 nan 8.190 nan 0.000 0.426 343 S N 4.181 119.489 115.700 -0.652 0.000 2.707 343 S HA 0.653 5.123 4.470 0.001 0.000 0.312 343 S C -0.881 173.354 174.600 -0.610 0.000 1.116 343 S CA -0.613 56.953 58.200 -1.057 0.000 1.078 343 S CB 0.712 62.691 63.200 -2.036 0.000 0.997 343 S HN 0.888 nan 8.310 nan 0.000 0.477 344 Y N 2.641 122.632 120.300 -0.516 0.000 2.320 344 Y HA 0.715 5.265 4.550 0.001 0.000 0.324 344 Y C -0.265 175.501 175.900 -0.225 0.000 1.190 344 Y CA -0.882 57.025 58.100 -0.321 0.000 1.215 344 Y CB 0.683 38.942 38.460 -0.334 0.000 1.221 344 Y HN 0.596 nan 8.280 nan 0.000 0.486 345 Q N 3.941 123.690 119.800 -0.085 0.000 2.348 345 Q HA 0.402 4.742 4.340 0.001 0.000 0.265 345 Q C 0.195 176.199 176.000 0.007 0.000 0.998 345 Q CA -0.310 55.437 55.803 -0.094 0.000 0.831 345 Q CB 1.932 30.697 28.738 0.043 0.000 1.251 345 Q HN 0.953 nan 8.270 nan 0.000 0.456 346 I N 0.444 120.963 120.570 -0.087 0.000 2.193 346 I HA -0.257 3.913 4.170 0.001 0.000 0.240 346 I C 2.090 178.076 176.117 -0.218 0.000 1.084 346 I CA 1.409 62.647 61.300 -0.103 0.000 1.365 346 I CB -0.083 37.803 38.000 -0.191 0.000 1.064 346 I HN 0.646 nan 8.210 nan 0.000 0.410 347 S N -0.013 115.589 115.700 -0.162 0.000 2.447 347 S HA -0.245 4.226 4.470 0.001 0.000 0.233 347 S C 1.915 176.546 174.600 0.052 0.000 1.006 347 S CA 1.094 59.241 58.200 -0.088 0.000 0.957 347 S CB -0.392 62.779 63.200 -0.050 0.000 0.773 347 S HN 0.424 nan 8.310 nan 0.000 0.507 348 Q N 1.486 121.334 119.800 0.079 0.000 2.050 348 Q HA -0.070 4.271 4.340 0.001 0.000 0.202 348 Q C 2.053 178.177 176.000 0.206 0.000 0.980 348 Q CA 2.194 58.081 55.803 0.140 0.000 0.840 348 Q CB -0.856 27.968 28.738 0.144 0.000 0.898 348 Q HN 0.601 nan 8.270 nan 0.000 0.424 349 T N -0.298 114.401 114.554 0.241 0.000 2.803 349 T HA -0.155 4.196 4.350 0.001 0.000 0.269 349 T C 0.963 175.994 174.700 0.553 0.000 1.052 349 T CA 1.522 63.846 62.100 0.373 0.000 1.136 349 T CB -0.312 68.805 68.868 0.415 0.000 0.864 349 T HN 0.500 nan 8.240 nan 0.000 0.467 350 H N -0.598 118.608 119.070 0.227 0.000 2.548 350 H HA 0.422 4.978 4.556 0.001 0.000 0.265 350 H C 1.917 177.281 175.328 0.060 0.000 0.969 350 H CA 0.276 56.389 56.048 0.109 0.000 1.155 350 H CB 0.330 30.093 29.762 0.001 0.000 1.394 350 H HN 0.333 nan 8.280 nan 0.000 0.570 351 A N 0.504 123.486 122.820 0.271 0.000 2.431 351 A HA -0.007 4.314 4.320 0.001 0.000 0.239 351 A C 0.498 178.221 177.584 0.231 0.000 1.230 351 A CA -0.332 51.828 52.037 0.205 0.000 0.928 351 A CB 0.411 19.501 19.000 0.149 0.000 1.006 351 A HN 0.194 nan 8.150 nan 0.000 0.520 352 D N 1.533 122.105 120.400 0.286 0.000 2.531 352 D HA -0.001 4.640 4.640 0.001 0.000 0.239 352 D C -1.386 175.049 176.300 0.224 0.000 1.144 352 D CA -0.742 53.400 54.000 0.236 0.000 0.869 352 D CB 1.279 42.221 40.800 0.238 0.000 1.160 352 D HN 0.154 nan 8.370 nan 0.000 0.484 353 P HA -0.050 nan 4.420 nan 0.000 0.224 353 P C 0.598 177.943 177.300 0.075 0.000 1.157 353 P CA 0.481 63.653 63.100 0.119 0.000 0.799 353 P CB 0.611 32.365 31.700 0.090 0.000 0.809 354 D N 0.244 120.674 120.400 0.050 0.000 2.084 354 D HA -0.083 4.558 4.640 0.001 0.000 0.199 354 D C 2.122 178.382 176.300 -0.067 0.000 0.981 354 D CA 0.883 54.885 54.000 0.003 0.000 0.841 354 D CB -0.889 39.917 40.800 0.010 0.000 0.997 354 D HN -0.021 nan 8.370 nan 0.000 0.454 355 L N -0.314 120.838 121.223 -0.119 0.000 2.089 355 L HA -0.192 4.148 4.340 0.001 0.000 0.213 355 L C 0.346 176.779 176.870 -0.728 0.000 1.079 355 L CA 1.588 56.181 54.840 -0.411 0.000 0.758 355 L CB -0.612 41.203 42.059 -0.408 0.000 0.891 355 L HN 0.157 nan 8.230 nan 0.000 0.433 356 Y N -1.154 119.156 120.300 0.017 0.000 2.628 356 Y HA 0.343 4.894 4.550 0.001 0.000 0.354 356 Y C -2.156 173.757 175.900 0.021 0.000 1.061 356 Y CA -3.225 54.876 58.100 0.003 0.000 1.251 356 Y CB 0.082 38.561 38.460 0.031 0.000 1.098 356 Y HN -0.064 nan 8.280 nan 0.000 0.626 357 P HA -0.084 nan 4.420 nan 0.000 0.264 357 P C -0.012 177.343 177.300 0.093 0.000 1.183 357 P CA 0.703 63.846 63.100 0.073 0.000 0.763 357 P CB 0.790 32.510 31.700 0.034 0.000 0.807 358 D N 2.824 123.276 120.400 0.086 0.000 2.828 358 D HA -0.127 4.514 4.640 0.001 0.000 0.241 358 D C -1.450 174.917 176.300 0.111 0.000 1.142 358 D CA 0.086 54.139 54.000 0.088 0.000 0.755 358 D CB -0.829 40.017 40.800 0.076 0.000 1.014 358 D HN 0.280 nan 8.370 nan 0.000 0.420 359 P HA -0.218 nan 4.420 nan 0.000 0.219 359 P C 1.250 178.621 177.300 0.119 0.000 1.144 359 P CA 1.284 64.470 63.100 0.143 0.000 0.806 359 P CB 0.094 31.879 31.700 0.142 0.000 0.771 360 E N -1.022 119.246 120.200 0.113 0.000 2.447 360 E HA 0.037 4.388 4.350 0.001 0.000 0.195 360 E C 0.767 177.452 176.600 0.142 0.000 1.028 360 E CA 0.389 56.858 56.400 0.114 0.000 0.876 360 E CB -0.797 28.962 29.700 0.097 0.000 0.885 360 E HN 0.021 nan 8.360 nan 0.000 0.500 361 K N 1.692 122.178 120.400 0.144 0.000 2.249 361 K HA 0.224 4.544 4.320 0.001 0.000 0.280 361 K C -0.668 176.049 176.600 0.195 0.000 1.033 361 K CA -0.564 55.829 56.287 0.176 0.000 0.946 361 K CB -0.113 32.470 32.500 0.139 0.000 1.005 361 K HN 0.201 nan 8.250 nan 0.000 0.469 362 F N 3.169 123.136 119.950 0.028 0.000 2.509 362 F HA 0.315 4.842 4.527 0.001 0.000 0.350 362 F C -0.356 175.392 175.800 -0.086 0.000 1.220 362 F CA -0.961 56.984 58.000 -0.093 0.000 1.151 362 F CB 0.384 39.188 39.000 -0.326 0.000 1.379 362 F HN 0.626 nan 8.300 nan 0.000 0.610 363 D N 7.870 128.096 120.400 -0.290 0.000 2.446 363 D HA 0.373 5.014 4.640 0.001 0.000 0.251 363 D C -2.099 174.039 176.300 -0.269 0.000 1.137 363 D CA -2.355 51.488 54.000 -0.261 0.000 0.890 363 D CB 1.733 42.497 40.800 -0.061 0.000 1.071 363 D HN 0.189 nan 8.370 nan 0.000 0.528 364 P HA -0.076 nan 4.420 nan 0.000 0.228 364 P C 0.961 178.266 177.300 0.008 0.000 1.151 364 P CA 0.528 63.489 63.100 -0.231 0.000 0.770 364 P CB 0.441 31.924 31.700 -0.361 0.000 0.786 365 E N -0.415 119.804 120.200 0.032 0.000 2.150 365 E HA -0.132 4.219 4.350 0.001 0.000 0.193 365 E C 1.959 178.574 176.600 0.025 0.000 0.985 365 E CA 0.662 57.103 56.400 0.068 0.000 0.814 365 E CB -0.499 29.231 29.700 0.050 0.000 0.752 365 E HN 0.274 nan 8.360 nan 0.000 0.466 366 R N -0.481 120.010 120.500 -0.015 0.000 2.211 366 R HA -0.130 4.211 4.340 0.001 0.000 0.240 366 R C 1.237 177.330 176.300 -0.345 0.000 1.144 366 R CA 0.974 56.979 56.100 -0.158 0.000 0.992 366 R CB -0.115 30.081 30.300 -0.174 0.000 0.869 366 R HN 0.140 nan 8.270 nan 0.000 0.462 367 F N -0.942 118.967 119.950 -0.067 0.000 2.695 367 F HA 0.145 4.672 4.527 0.001 0.000 0.303 367 F C 0.764 176.532 175.800 -0.053 0.000 1.091 367 F CA -0.144 57.807 58.000 -0.082 0.000 1.300 367 F CB 0.425 39.353 39.000 -0.119 0.000 1.071 367 F HN -0.264 nan 8.300 nan 0.000 0.578 368 T N 3.263 117.869 114.554 0.086 0.000 2.934 368 T HA -0.035 4.316 4.350 0.001 0.000 0.306 368 T C -1.261 173.444 174.700 0.009 0.000 1.042 368 T CA -0.672 61.467 62.100 0.066 0.000 1.145 368 T CB 0.748 69.656 68.868 0.067 0.000 0.982 368 T HN -0.076 nan 8.240 nan 0.000 0.544 369 P HA -0.223 nan 4.420 nan 0.000 0.232 369 P C 0.661 177.916 177.300 -0.075 0.000 1.150 369 P CA 1.577 64.665 63.100 -0.021 0.000 0.911 369 P CB 0.141 31.843 31.700 0.003 0.000 0.776 370 D N -2.549 117.817 120.400 -0.056 0.000 2.535 370 D HA 0.179 4.820 4.640 0.001 0.000 0.229 370 D C 1.165 177.447 176.300 -0.029 0.000 1.238 370 D CA 0.032 53.995 54.000 -0.061 0.000 0.824 370 D CB 0.464 41.292 40.800 0.046 0.000 1.045 370 D HN 0.113 nan 8.370 nan 0.000 0.500 371 G N 0.124 108.875 108.800 -0.082 0.000 2.621 371 G HA2 0.090 4.051 3.960 0.001 0.000 0.271 371 G HA3 0.090 4.051 3.960 0.001 0.000 0.271 371 G C 1.129 175.986 174.900 -0.072 0.000 1.236 371 G CA -0.230 44.837 45.100 -0.055 0.000 0.958 371 G HN -0.052 nan 8.290 nan 0.000 0.512 372 S N -0.438 115.216 115.700 -0.077 0.000 2.383 372 S HA -0.142 4.328 4.470 0.001 0.000 0.229 372 S C 2.631 177.102 174.600 -0.215 0.000 1.030 372 S CA 1.692 59.842 58.200 -0.084 0.000 1.002 372 S CB -0.360 62.781 63.200 -0.097 0.000 0.829 372 S HN 0.779 nan 8.310 nan 0.000 0.467 373 A N 0.634 123.206 122.820 -0.413 0.000 2.067 373 A HA -0.019 4.301 4.320 0.001 0.000 0.217 373 A C 2.267 179.626 177.584 -0.376 0.000 1.156 373 A CA 1.728 53.421 52.037 -0.573 0.000 0.683 373 A CB -0.962 17.255 19.000 -1.305 0.000 0.808 373 A HN 0.653 nan 8.150 nan 0.000 0.455 374 T N -3.032 111.319 114.554 -0.338 0.000 2.951 374 T HA -0.128 4.223 4.350 0.001 0.000 0.268 374 T C 1.150 175.669 174.700 -0.302 0.000 1.073 374 T CA 1.568 63.491 62.100 -0.294 0.000 1.134 374 T CB -0.636 68.025 68.868 -0.345 0.000 0.884 374 T HN 0.640 nan 8.240 nan 0.000 0.479 375 H N 1.105 120.103 119.070 -0.120 0.000 2.610 375 H HA 0.410 4.966 4.556 0.001 0.000 0.302 375 H C -0.169 175.098 175.328 -0.101 0.000 1.063 375 H CA -0.680 55.312 56.048 -0.092 0.000 1.159 375 H CB -0.047 29.664 29.762 -0.084 0.000 1.427 375 H HN 0.227 nan 8.280 nan 0.000 0.553 376 N N 1.717 120.391 118.700 -0.043 0.000 2.430 376 N HA 0.191 4.932 4.740 0.001 0.000 0.298 376 N C -2.237 173.260 175.510 -0.021 0.000 1.130 376 N CA -1.890 51.123 53.050 -0.061 0.000 0.894 376 N CB 1.137 39.533 38.487 -0.152 0.000 1.209 376 N HN 0.101 nan 8.380 nan 0.000 0.503 377 P HA 0.246 nan 4.420 nan 0.000 0.271 377 P C -2.552 174.766 177.300 0.031 0.000 1.233 377 P CA -0.733 62.387 63.100 0.034 0.000 0.789 377 P CB -0.628 31.113 31.700 0.068 0.000 0.951 378 P HA 0.003 nan 4.420 nan 0.000 0.265 378 P C -0.460 176.857 177.300 0.029 0.000 1.187 378 P CA 0.477 63.490 63.100 -0.145 0.000 0.766 378 P CB -0.270 31.301 31.700 -0.215 0.000 0.820 379 F N -0.488 119.550 119.950 0.147 0.000 2.986 379 F HA -0.191 4.337 4.527 0.001 0.000 0.309 379 F C 1.142 177.066 175.800 0.208 0.000 0.884 379 F CA 0.652 58.766 58.000 0.191 0.000 1.263 379 F CB -2.391 36.722 39.000 0.189 0.000 1.315 379 F HN 0.381 nan 8.300 nan 0.000 0.595 380 A N -1.696 121.304 122.820 0.300 0.000 2.167 380 A HA 0.240 4.560 4.320 0.001 0.000 0.208 380 A C 0.467 178.311 177.584 0.434 0.000 1.198 380 A CA 0.674 52.884 52.037 0.289 0.000 0.863 380 A CB 0.100 19.158 19.000 0.097 0.000 0.904 380 A HN 0.431 nan 8.150 nan 0.000 0.484 381 H N -0.073 119.168 119.070 0.285 0.000 2.638 381 H HA 0.500 5.057 4.556 0.001 0.000 0.317 381 H C -0.639 174.900 175.328 0.352 0.000 1.006 381 H CA -0.416 55.776 56.048 0.240 0.000 1.222 381 H CB 1.442 31.386 29.762 0.305 0.000 1.419 381 H HN 0.143 nan 8.280 nan 0.000 0.489 382 V N 4.388 124.553 119.914 0.418 0.000 2.724 382 V HA 0.302 4.423 4.120 0.001 0.000 0.341 382 V C -2.277 173.902 176.094 0.142 0.000 1.254 382 V CA -0.914 61.588 62.300 0.336 0.000 1.261 382 V CB 0.914 33.007 31.823 0.451 0.000 1.445 382 V HN 0.584 nan 8.190 nan 0.000 0.652 383 P HA 0.023 nan 4.420 nan 0.000 0.230 383 P C 0.739 177.758 177.300 -0.467 0.000 1.158 383 P CA 1.128 64.015 63.100 -0.356 0.000 0.769 383 P CB 0.042 31.365 31.700 -0.629 0.000 0.807 384 F N -0.878 119.076 119.950 0.007 0.000 2.688 384 F HA 0.403 4.931 4.527 0.001 0.000 0.310 384 F C 1.746 177.545 175.800 -0.003 0.000 1.098 384 F CA 0.311 58.312 58.000 0.001 0.000 1.228 384 F CB 0.293 39.279 39.000 -0.022 0.000 1.042 384 F HN 0.030 nan 8.300 nan 0.000 0.557 385 G N 0.807 109.707 108.800 0.167 0.000 2.525 385 G HA2 0.164 4.125 3.960 0.001 0.000 0.248 385 G HA3 0.164 4.125 3.960 0.001 0.000 0.248 385 G C 0.040 174.739 174.900 -0.335 0.000 1.238 385 G CA -0.446 44.684 45.100 0.050 0.000 0.926 385 G HN 0.906 nan 8.290 nan 0.000 0.574 386 G N -3.036 105.144 108.800 -1.034 0.000 2.488 386 G HA2 0.778 4.739 3.960 0.001 0.000 0.301 386 G HA3 0.778 4.739 3.960 0.001 0.000 0.301 386 G C 0.968 175.195 174.900 -1.121 0.000 1.339 386 G CA 1.248 45.673 45.100 -1.125 0.000 0.803 386 G HN 2.860 nan 8.290 nan 0.000 0.482 387 G N -1.047 107.426 108.800 -0.545 0.000 2.552 387 G HA2 -0.020 3.941 3.960 0.001 0.000 0.265 387 G HA3 -0.020 3.941 3.960 0.001 0.000 0.265 387 G C 0.904 175.730 174.900 -0.123 0.000 1.234 387 G CA 0.524 45.490 45.100 -0.222 0.000 0.944 387 G HN 1.504 nan 8.290 nan 0.000 0.568 388 L N 0.985 122.189 121.223 -0.032 0.000 2.275 388 L HA 0.162 4.503 4.340 0.001 0.000 0.215 388 L C 2.742 179.678 176.870 0.110 0.000 1.119 388 L CA 1.804 56.673 54.840 0.048 0.000 0.790 388 L CB -0.420 41.688 42.059 0.081 0.000 0.919 388 L HN 0.543 nan 8.230 nan 0.000 0.443 389 R N -0.249 120.270 120.500 0.032 0.000 2.586 389 R HA 0.151 4.492 4.340 0.001 0.000 0.336 389 R C 0.189 176.506 176.300 0.028 0.000 1.060 389 R CA -0.173 55.976 56.100 0.082 0.000 1.079 389 R CB 0.204 30.540 30.300 0.060 0.000 1.317 389 R HN 0.387 nan 8.270 nan 0.000 0.568 390 E N 0.949 121.112 120.200 -0.061 0.000 2.413 390 E HA -0.058 4.292 4.350 0.001 0.000 0.263 390 E C -0.329 176.259 176.600 -0.020 0.000 1.015 390 E CA -0.159 56.191 56.400 -0.083 0.000 0.916 390 E CB 0.851 30.465 29.700 -0.144 0.000 0.947 390 E HN 0.115 nan 8.360 nan 0.000 0.440 391 C N 5.887 125.213 119.300 0.044 0.000 2.155 391 C HA -0.111 4.350 4.460 0.001 0.000 0.396 391 C C 1.704 176.630 174.990 -0.106 0.000 1.545 391 C CA -0.137 58.905 59.018 0.041 0.000 1.442 391 C CB -1.297 26.565 27.740 0.203 0.000 2.553 391 C HN 0.885 nan 8.230 nan 0.000 0.598 392 L N 5.636 126.774 121.223 -0.143 0.000 2.478 392 L HA 0.244 4.585 4.340 0.001 0.000 0.223 392 L C 1.962 178.453 176.870 -0.633 0.000 1.140 392 L CA 2.028 56.696 54.840 -0.287 0.000 0.842 392 L CB -0.193 41.734 42.059 -0.220 0.000 0.953 392 L HN 0.916 nan 8.230 nan 0.000 0.452 393 G N -1.401 107.101 108.800 -0.497 0.000 3.774 393 G HA2 0.039 3.999 3.960 0.001 0.000 0.287 393 G HA3 0.039 3.999 3.960 0.001 0.000 0.287 393 G C 1.221 176.043 174.900 -0.130 0.000 1.030 393 G CA 0.199 44.995 45.100 -0.506 0.000 0.824 393 G HN 0.491 nan 8.290 nan 0.000 0.518 394 K N 0.267 120.476 120.400 -0.318 0.000 2.057 394 K HA -0.020 4.300 4.320 0.001 0.000 0.207 394 K C 1.628 178.021 176.600 -0.345 0.000 1.049 394 K CA 1.220 57.108 56.287 -0.665 0.000 0.931 394 K CB 0.018 31.602 32.500 -1.527 0.000 0.714 394 K HN 0.036 nan 8.250 nan 0.000 0.440 395 E N 0.598 120.706 120.200 -0.154 0.000 2.107 395 E HA -0.115 4.236 4.350 0.001 0.000 0.191 395 E C 1.776 178.451 176.600 0.124 0.000 0.982 395 E CA 0.742 57.134 56.400 -0.013 0.000 0.809 395 E CB -0.357 29.369 29.700 0.042 0.000 0.756 395 E HN 0.408 nan 8.360 nan 0.000 0.459 396 F N 1.652 121.676 119.950 0.123 0.000 2.161 396 F HA -0.231 4.296 4.527 0.001 0.000 0.300 396 F C 2.136 178.013 175.800 0.128 0.000 1.089 396 F CA 1.617 59.753 58.000 0.227 0.000 1.282 396 F CB -0.137 39.147 39.000 0.473 0.000 1.010 396 F HN 0.001 nan 8.300 nan 0.000 0.485 397 A N 0.666 123.604 122.820 0.197 0.000 1.873 397 A HA -0.150 4.171 4.320 0.001 0.000 0.215 397 A C 2.318 179.907 177.584 0.009 0.000 1.186 397 A CA 1.583 53.691 52.037 0.118 0.000 0.616 397 A CB -0.717 18.449 19.000 0.277 0.000 0.823 397 A HN 0.434 nan 8.150 nan 0.000 0.442 398 R N -1.091 119.422 120.500 0.021 0.000 2.091 398 R HA -0.127 4.214 4.340 0.001 0.000 0.238 398 R C 2.127 178.394 176.300 -0.056 0.000 1.136 398 R CA 1.480 57.582 56.100 0.004 0.000 0.959 398 R CB -0.598 29.701 30.300 -0.003 0.000 0.856 398 R HN 0.493 nan 8.270 nan 0.000 0.437 399 L N 1.302 122.475 121.223 -0.083 0.000 2.027 399 L HA -0.163 4.178 4.340 0.001 0.000 0.206 399 L C 2.300 179.068 176.870 -0.170 0.000 1.074 399 L CA 1.849 56.623 54.840 -0.110 0.000 0.745 399 L CB -0.398 41.605 42.059 -0.093 0.000 0.898 399 L HN 0.141 nan 8.230 nan 0.000 0.433 400 E N -0.784 119.237 120.200 -0.298 0.000 2.051 400 E HA -0.266 4.084 4.350 0.001 0.000 0.192 400 E C 2.213 178.720 176.600 -0.155 0.000 0.991 400 E CA 1.759 57.989 56.400 -0.282 0.000 0.799 400 E CB -0.200 29.238 29.700 -0.436 0.000 0.748 400 E HN 0.521 nan 8.360 nan 0.000 0.449 401 M N 0.374 119.883 119.600 -0.152 0.000 2.144 401 M HA -0.204 4.277 4.480 0.001 0.000 0.260 401 M C 2.504 178.708 176.300 -0.160 0.000 1.067 401 M CA 1.501 56.711 55.300 -0.149 0.000 1.095 401 M CB -0.231 32.294 32.600 -0.125 0.000 1.365 401 M HN 0.021 nan 8.290 nan 0.000 0.406 402 K N 0.457 120.784 120.400 -0.121 0.000 2.076 402 K HA -0.113 4.207 4.320 0.001 0.000 0.204 402 K C 1.937 178.492 176.600 -0.075 0.000 1.051 402 K CA 0.846 57.069 56.287 -0.107 0.000 0.949 402 K CB -0.081 32.378 32.500 -0.067 0.000 0.726 402 K HN 0.172 nan 8.250 nan 0.000 0.443 403 L N 0.918 122.111 121.223 -0.050 0.000 2.093 403 L HA -0.113 4.227 4.340 0.001 0.000 0.208 403 L C 2.030 178.909 176.870 0.015 0.000 1.085 403 L CA 1.458 56.288 54.840 -0.017 0.000 0.755 403 L CB -0.535 41.513 42.059 -0.020 0.000 0.904 403 L HN 0.156 nan 8.230 nan 0.000 0.435 404 F N 0.283 120.153 119.950 -0.134 0.000 2.113 404 F HA -0.083 4.445 4.527 0.001 0.000 0.297 404 F C 2.310 178.040 175.800 -0.117 0.000 1.103 404 F CA 1.433 59.361 58.000 -0.120 0.000 1.248 404 F CB -0.659 38.230 39.000 -0.186 0.000 0.999 404 F HN 0.112 nan 8.300 nan 0.000 0.475 405 A N -0.383 122.251 122.820 -0.309 0.000 1.940 405 A HA -0.170 4.150 4.320 0.001 0.000 0.219 405 A C 2.169 179.712 177.584 -0.068 0.000 1.176 405 A CA 2.334 54.143 52.037 -0.380 0.000 0.631 405 A CB -1.420 17.190 19.000 -0.651 0.000 0.814 405 A HN 0.472 nan 8.150 nan 0.000 0.446 406 T N -0.473 114.047 114.554 -0.056 0.000 2.668 406 T HA -0.084 4.267 4.350 0.001 0.000 0.262 406 T C 2.098 176.821 174.700 0.039 0.000 1.045 406 T CA 1.217 63.330 62.100 0.023 0.000 1.152 406 T CB -0.210 68.669 68.868 0.017 0.000 0.864 406 T HN 0.316 nan 8.240 nan 0.000 0.419 407 R N 0.839 121.344 120.500 0.008 0.000 2.152 407 R HA 0.093 4.434 4.340 0.001 0.000 0.232 407 R C 2.282 178.636 176.300 0.091 0.000 1.117 407 R CA 0.566 56.697 56.100 0.052 0.000 0.981 407 R CB -1.191 29.144 30.300 0.058 0.000 0.870 407 R HN 0.301 nan 8.270 nan 0.000 0.451 408 L N 0.802 121.997 121.223 -0.047 0.000 1.988 408 L HA -0.041 4.299 4.340 0.001 0.000 0.207 408 L C 2.109 179.162 176.870 0.305 0.000 1.071 408 L CA 1.652 56.504 54.840 0.020 0.000 0.744 408 L CB -0.531 41.278 42.059 -0.417 0.000 0.893 408 L HN 0.022 nan 8.230 nan 0.000 0.433 409 I N -0.906 119.849 120.570 0.308 0.000 2.394 409 I HA -0.265 3.906 4.170 0.001 0.000 0.251 409 I C 2.548 178.811 176.117 0.243 0.000 1.136 409 I CA 1.023 62.545 61.300 0.371 0.000 1.425 409 I CB -0.328 37.890 38.000 0.364 0.000 1.079 409 I HN 0.506 nan 8.210 nan 0.000 0.425 410 Q N 0.875 120.782 119.800 0.179 0.000 2.002 410 Q HA -0.286 4.055 4.340 0.001 0.000 0.204 410 Q C 2.066 178.119 176.000 0.088 0.000 0.988 410 Q CA 1.972 57.845 55.803 0.118 0.000 0.843 410 Q CB 0.047 28.839 28.738 0.090 0.000 0.908 410 Q HN 0.552 nan 8.270 nan 0.000 0.420 411 Q N -1.656 118.210 119.800 0.109 0.000 2.402 411 Q HA 0.132 4.473 4.340 0.001 0.000 0.206 411 Q C -0.590 175.210 176.000 -0.333 0.000 0.919 411 Q CA 0.182 55.924 55.803 -0.101 0.000 0.923 411 Q CB 0.688 29.390 28.738 -0.059 0.000 1.048 411 Q HN 0.112 nan 8.270 nan 0.000 0.515 412 F N -0.574 119.495 119.950 0.199 0.000 2.601 412 F HA 0.318 4.846 4.527 0.001 0.000 0.309 412 F C -0.474 175.525 175.800 0.332 0.000 1.089 412 F CA -1.310 56.841 58.000 0.253 0.000 0.940 412 F CB 2.025 41.190 39.000 0.274 0.000 1.273 412 F HN -0.234 nan 8.300 nan 0.000 0.450 413 D N 0.336 121.013 120.400 0.462 0.000 2.437 413 D HA 0.623 5.264 4.640 0.001 0.000 0.259 413 D C -1.411 175.174 176.300 0.476 0.000 1.118 413 D CA 0.281 54.490 54.000 0.347 0.000 1.017 413 D CB 1.178 42.099 40.800 0.202 0.000 1.120 413 D HN 0.495 nan 8.370 nan 0.000 0.541 414 W N -1.369 119.988 121.300 0.096 0.000 3.248 414 W HA 0.580 5.241 4.660 0.001 0.000 0.311 414 W C -1.923 174.589 176.519 -0.012 0.000 1.258 414 W CA -0.826 56.461 57.345 -0.097 0.000 1.191 414 W CB 0.553 29.965 29.460 -0.080 0.000 1.389 414 W HN 0.068 nan 8.180 nan 0.000 0.561 415 T N 4.017 118.631 114.554 0.101 0.000 2.809 415 T HA 0.482 4.833 4.350 0.001 0.000 0.284 415 T C 0.129 174.907 174.700 0.130 0.000 0.992 415 T CA -0.668 61.508 62.100 0.128 0.000 0.957 415 T CB 0.794 69.822 68.868 0.266 0.000 0.942 415 T HN 0.433 nan 8.240 nan 0.000 0.439 416 L N 2.783 124.091 121.223 0.142 0.000 2.476 416 L HA 0.373 4.714 4.340 0.001 0.000 0.264 416 L C 0.285 177.195 176.870 0.066 0.000 1.224 416 L CA -0.619 54.293 54.840 0.120 0.000 0.821 416 L CB 0.163 42.294 42.059 0.121 0.000 1.101 416 L HN 0.386 nan 8.230 nan 0.000 0.488 417 L N 2.332 123.583 121.223 0.047 0.000 2.325 417 L HA 0.413 4.754 4.340 0.001 0.000 0.279 417 L C -1.987 174.901 176.870 0.029 0.000 1.054 417 L CA -1.823 53.037 54.840 0.033 0.000 0.804 417 L CB 1.451 43.522 42.059 0.019 0.000 1.200 417 L HN 0.397 nan 8.230 nan 0.000 0.436 418 P HA 0.202 nan 4.420 nan 0.000 0.278 418 P C 0.508 177.818 177.300 0.016 0.000 1.238 418 P CA 0.085 63.196 63.100 0.019 0.000 0.794 418 P CB 1.463 33.172 31.700 0.015 0.000 0.955 419 G N 1.296 110.104 108.800 0.014 0.000 2.176 419 G HA2 -0.209 3.752 3.960 0.001 0.000 0.253 419 G HA3 -0.209 3.752 3.960 0.001 0.000 0.253 419 G C 0.071 174.979 174.900 0.013 0.000 0.979 419 G CA 0.340 45.448 45.100 0.013 0.000 0.641 419 G HN 0.854 nan 8.290 nan 0.000 0.530 420 Q N 0.091 119.901 119.800 0.016 0.000 2.259 420 Q HA 0.595 4.936 4.340 0.001 0.000 0.249 420 Q C -0.056 175.953 176.000 0.016 0.000 0.914 420 Q CA -0.937 54.876 55.803 0.017 0.000 0.904 420 Q CB 1.041 29.792 28.738 0.022 0.000 1.213 420 Q HN 0.087 nan 8.270 nan 0.000 0.428 421 N N 2.460 121.166 118.700 0.011 0.000 2.427 421 N HA -0.007 4.734 4.740 0.001 0.000 0.269 421 N C -0.563 174.952 175.510 0.009 0.000 1.235 421 N CA 0.025 53.080 53.050 0.008 0.000 0.934 421 N CB 0.727 39.215 38.487 0.002 0.000 1.121 421 N HN 0.728 nan 8.380 nan 0.000 0.480 422 L N 2.804 124.035 121.223 0.013 0.000 2.616 422 L HA 0.276 4.617 4.340 0.001 0.000 0.229 422 L C 0.939 177.815 176.870 0.011 0.000 1.110 422 L CA 0.294 55.145 54.840 0.018 0.000 0.884 422 L CB -0.199 41.876 42.059 0.026 0.000 1.115 422 L HN 0.530 nan 8.230 nan 0.000 0.481 423 E N 0.099 120.302 120.200 0.005 0.000 2.447 423 E HA 0.081 4.432 4.350 0.001 0.000 0.259 423 E C -0.620 175.973 176.600 -0.012 0.000 1.196 423 E CA 0.160 56.561 56.400 0.002 0.000 0.995 423 E CB 0.610 30.311 29.700 0.002 0.000 0.974 423 E HN 0.135 nan 8.360 nan 0.000 0.465 424 L N 1.611 122.827 121.223 -0.011 0.000 2.322 424 L HA 0.342 4.683 4.340 0.001 0.000 0.281 424 L C -0.375 176.477 176.870 -0.030 0.000 1.014 424 L CA -0.893 53.933 54.840 -0.024 0.000 0.815 424 L CB 1.530 43.583 42.059 -0.010 0.000 1.247 424 L HN 0.175 nan 8.230 nan 0.000 0.421 425 V N 2.747 122.629 119.914 -0.054 0.000 2.713 425 V HA 0.371 4.492 4.120 0.001 0.000 0.307 425 V C 0.179 176.242 176.094 -0.051 0.000 1.052 425 V CA -0.733 61.536 62.300 -0.052 0.000 0.967 425 V CB 2.007 33.789 31.823 -0.068 0.000 1.019 425 V HN 0.471 nan 8.190 nan 0.000 0.459 426 V N 2.674 122.564 119.914 -0.040 0.000 2.233 426 V HA 0.312 4.433 4.120 0.001 0.000 0.261 426 V C 0.420 176.487 176.094 -0.045 0.000 1.076 426 V CA -0.042 62.236 62.300 -0.036 0.000 1.001 426 V CB 0.327 32.134 31.823 -0.026 0.000 1.206 426 V HN 1.080 nan 8.190 nan 0.000 0.468 427 T N -0.591 113.939 114.554 -0.040 0.000 3.401 427 T HA 0.398 4.748 4.350 0.001 0.000 0.341 427 T C -1.880 172.826 174.700 0.010 0.000 1.674 427 T CA -1.220 60.861 62.100 -0.031 0.000 1.600 427 T CB 1.261 70.111 68.868 -0.031 0.000 0.974 427 T HN 0.361 nan 8.240 nan 0.000 0.672 428 P HA 0.411 nan 4.420 nan 0.000 0.263 428 P C -0.364 176.930 177.300 -0.011 0.000 1.448 428 P CA -0.274 62.801 63.100 -0.041 0.000 0.983 428 P CB 0.404 32.041 31.700 -0.105 0.000 1.481 429 S N 0.881 116.592 115.700 0.018 0.000 2.547 429 S HA 0.512 4.982 4.470 0.001 0.000 0.281 429 S C -2.812 171.794 174.600 0.011 0.000 1.118 429 S CA -1.442 56.775 58.200 0.028 0.000 0.947 429 S CB 1.531 64.777 63.200 0.078 0.000 1.053 429 S HN -0.152 nan 8.310 nan 0.000 0.482 430 P HA 0.080 nan 4.420 nan 0.000 0.261 430 P C -0.741 176.552 177.300 -0.012 0.000 1.165 430 P CA 0.464 63.560 63.100 -0.007 0.000 0.759 430 P CB 0.241 31.944 31.700 0.006 0.000 0.772 431 R N 4.325 124.770 120.500 -0.092 0.000 2.523 431 R HA 0.283 4.624 4.340 0.001 0.000 0.278 431 R C -2.918 173.277 176.300 -0.175 0.000 1.150 431 R CA -1.996 53.952 56.100 -0.252 0.000 0.987 431 R CB 1.625 31.610 30.300 -0.524 0.000 1.232 431 R HN 0.228 nan 8.270 nan 0.000 0.424 432 P HA -0.008 nan 4.420 nan 0.000 0.263 432 P C -0.298 176.949 177.300 -0.087 0.000 1.195 432 P CA 0.100 63.167 63.100 -0.055 0.000 0.762 432 P CB 0.868 32.574 31.700 0.010 0.000 0.799 433 K N 1.889 122.253 120.400 -0.060 0.000 2.218 433 K HA -0.173 4.148 4.320 0.001 0.000 0.205 433 K C 0.392 176.971 176.600 -0.035 0.000 1.046 433 K CA 1.663 57.916 56.287 -0.055 0.000 0.933 433 K CB -0.118 32.362 32.500 -0.032 0.000 0.728 433 K HN 0.474 nan 8.250 nan 0.000 0.454 434 D N -0.388 120.003 120.400 -0.013 0.000 2.368 434 D HA 0.048 4.689 4.640 0.001 0.000 0.218 434 D C -0.642 175.674 176.300 0.027 0.000 1.112 434 D CA -0.021 53.984 54.000 0.008 0.000 0.834 434 D CB 0.196 41.006 40.800 0.017 0.000 0.953 434 D HN 0.078 nan 8.370 nan 0.000 0.505 435 N N 0.377 119.088 118.700 0.018 0.000 2.725 435 N HA -0.214 4.527 4.740 0.001 0.000 0.249 435 N C -0.767 174.833 175.510 0.150 0.000 1.103 435 N CA 0.314 53.415 53.050 0.085 0.000 0.707 435 N CB -1.193 37.359 38.487 0.108 0.000 1.043 435 N HN 0.264 nan 8.380 nan 0.000 0.553 436 L N -1.953 119.341 121.223 0.118 0.000 3.423 436 L HA -0.313 4.027 4.340 0.001 0.000 0.671 436 L C 0.167 177.093 176.870 0.094 0.000 1.083 436 L CA 0.650 55.575 54.840 0.142 0.000 1.201 436 L CB -0.537 41.664 42.059 0.237 0.000 1.578 436 L HN 0.312 nan 8.230 nan 0.000 0.839 437 R N 1.215 121.741 120.500 0.044 0.000 2.438 437 R HA 0.671 5.012 4.340 0.001 0.000 0.287 437 R C -0.091 176.185 176.300 -0.040 0.000 1.077 437 R CA -0.423 55.670 56.100 -0.012 0.000 1.034 437 R CB 1.786 32.086 30.300 0.001 0.000 0.993 437 R HN 0.230 nan 8.270 nan 0.000 0.459 438 V N 2.022 121.848 119.914 -0.146 0.000 3.204 438 V HA 0.334 4.455 4.120 0.001 0.000 0.298 438 V C -1.217 174.713 176.094 -0.273 0.000 1.328 438 V CA -0.905 61.264 62.300 -0.218 0.000 1.035 438 V CB 2.926 34.477 31.823 -0.452 0.000 1.095 438 V HN 0.689 nan 8.190 nan 0.000 0.442 439 K N 2.556 122.815 120.400 -0.236 0.000 2.427 439 K HA 0.716 5.037 4.320 0.001 0.000 0.252 439 K C -1.880 174.443 176.600 -0.462 0.000 0.931 439 K CA -0.675 55.447 56.287 -0.274 0.000 0.793 439 K CB 1.879 34.324 32.500 -0.091 0.000 1.211 439 K HN 0.602 nan 8.250 nan 0.000 0.426 440 L N 4.932 125.929 121.223 -0.376 0.000 2.287 440 L HA 0.373 4.714 4.340 0.001 0.000 0.287 440 L C -0.520 176.367 176.870 0.029 0.000 1.022 440 L CA -0.939 53.769 54.840 -0.219 0.000 0.814 440 L CB 1.099 42.991 42.059 -0.278 0.000 1.217 440 L HN 0.589 nan 8.230 nan 0.000 0.420 441 H N 2.184 121.484 119.070 0.383 0.000 2.680 441 H HA 0.199 4.756 4.556 0.001 0.000 0.260 441 H C 0.512 175.981 175.328 0.235 0.000 1.328 441 H CA -0.291 55.914 56.048 0.261 0.000 1.269 441 H CB 1.109 30.964 29.762 0.155 0.000 1.446 441 H HN 0.598 nan 8.280 nan 0.000 0.527 442 S N 0.000 115.865 115.700 0.274 0.000 2.498 442 S HA 0.000 4.471 4.470 0.001 0.000 0.327 442 S CA 0.000 58.088 58.200 -0.187 0.000 1.107 442 S CB 0.000 63.116 63.200 -0.139 0.000 0.593 442 S HN 0.000 nan 8.310 nan 0.000 0.517