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 1x9y_1_D DATA FIRST_RESID 41 DATA SEQUENCE KQLEINVKSD KVPQKVKDLA QQQFAGYAKA LDKQSNAKTG KYELGEAFKI DATA SEQUENCE YKFNGEEDNS YYYPVIKDGK IVYTLTLSPK NKDDLNKSKE DMNYSVKISN DATA SEQUENCE FIAKDLDQIK DKNSNITVLT DEKGFYFEED GKVRLVKATP LANNIKEKES DATA SEQUENCE AKTVSPQLKQ ELKTTVTPTK VXXXXXXXXX XXQYENTLKN FKIREQQFDN DATA SEQUENCE SWCAGFSMAA LLNATKNTDT YNAHDIMRTL YPEVSEQDLP NCATFPNQMI DATA SEQUENCE EYGKSQGRDI HYQEGVPSYN QVDQLTKDNV GIMILAQSVS QNPNDPHLGH DATA SEQUENCE ALAVVGNAKI NDQEKLIYWN PWDTELSIQD ADSSLLHLSF NRDYNWYGSM DATA SEQUENCE IGYLEVP 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 41 K HA 0.000 nan 4.320 nan 0.000 0.191 41 K C 0.000 176.587 176.600 -0.021 0.000 0.988 41 K CA 0.000 56.277 56.287 -0.017 0.000 0.838 41 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 42 Q N 0.333 120.118 119.800 -0.025 0.000 2.576 42 Q HA 0.456 4.796 4.340 0.001 0.000 0.249 42 Q C -0.543 175.430 176.000 -0.045 0.000 1.041 42 Q CA -1.320 54.464 55.803 -0.031 0.000 0.928 42 Q CB 1.459 30.181 28.738 -0.027 0.000 1.302 42 Q HN 0.160 nan 8.270 nan 0.000 0.504 43 L N 1.122 122.310 121.223 -0.058 0.000 2.490 43 L HA 0.031 4.371 4.340 0.001 0.000 0.274 43 L C -0.702 176.111 176.870 -0.095 0.000 1.201 43 L CA 1.219 56.007 54.840 -0.087 0.000 0.869 43 L CB 0.262 42.254 42.059 -0.113 0.000 1.123 43 L HN 0.473 nan 8.230 nan 0.000 0.484 44 E N 4.573 124.709 120.200 -0.106 0.000 2.288 44 E HA 0.545 4.895 4.350 0.001 0.000 0.268 44 E C -1.201 175.316 176.600 -0.138 0.000 0.885 44 E CA -0.720 55.621 56.400 -0.098 0.000 0.767 44 E CB 2.071 31.732 29.700 -0.066 0.000 1.220 44 E HN 0.518 nan 8.360 nan 0.000 0.427 45 I N 2.483 122.978 120.570 -0.125 0.000 2.406 45 I HA 0.261 4.431 4.170 0.001 0.000 0.290 45 I C -0.421 175.665 176.117 -0.053 0.000 0.999 45 I CA -1.000 60.214 61.300 -0.143 0.000 1.124 45 I CB 1.412 39.290 38.000 -0.202 0.000 1.289 45 I HN 0.303 nan 8.210 nan 0.000 0.441 46 N N 6.210 124.878 118.700 -0.054 0.000 2.497 46 N HA 0.367 5.107 4.740 0.001 0.000 0.268 46 N C -0.504 175.022 175.510 0.028 0.000 1.171 46 N CA -0.034 52.995 53.050 -0.036 0.000 0.948 46 N CB 1.845 40.284 38.487 -0.080 0.000 1.069 46 N HN 0.432 nan 8.380 nan 0.000 0.460 47 V N -0.863 119.071 119.914 0.032 0.000 3.188 47 V HA 0.422 4.542 4.120 0.001 0.000 0.305 47 V C 1.109 177.225 176.094 0.036 0.000 1.232 47 V CA -1.002 61.377 62.300 0.132 0.000 1.043 47 V CB 2.085 34.043 31.823 0.225 0.000 1.068 47 V HN 0.499 nan 8.190 nan 0.000 0.439 48 K N 1.803 122.264 120.400 0.102 0.000 2.026 48 K HA 0.137 4.458 4.320 0.001 0.000 0.208 48 K C 0.881 177.521 176.600 0.067 0.000 1.048 48 K CA 2.124 58.441 56.287 0.049 0.000 0.929 48 K CB -0.207 32.379 32.500 0.142 0.000 0.713 48 K HN 1.128 nan 8.250 nan 0.000 0.439 49 S N -1.062 114.702 115.700 0.107 0.000 2.579 49 S HA 0.260 4.730 4.470 0.001 0.000 0.272 49 S C -1.050 173.604 174.600 0.090 0.000 1.141 49 S CA -0.309 57.940 58.200 0.081 0.000 0.843 49 S CB 1.333 64.580 63.200 0.079 0.000 1.122 49 S HN 0.379 nan 8.310 nan 0.000 0.468 50 D N 1.016 121.454 120.400 0.064 0.000 2.349 50 D HA 0.189 4.829 4.640 0.001 0.000 0.214 50 D C -0.027 176.304 176.300 0.050 0.000 1.063 50 D CA -0.027 54.008 54.000 0.058 0.000 0.847 50 D CB 0.138 40.961 40.800 0.038 0.000 0.933 50 D HN 0.152 nan 8.370 nan 0.000 0.513 51 K N 0.708 121.141 120.400 0.056 0.000 2.401 51 K HA 0.334 4.654 4.320 0.001 0.000 0.278 51 K C -0.369 176.260 176.600 0.047 0.000 1.018 51 K CA -0.311 56.000 56.287 0.041 0.000 0.981 51 K CB 1.866 34.392 32.500 0.042 0.000 0.933 51 K HN -0.008 nan 8.250 nan 0.000 0.477 52 V N 4.519 124.415 119.914 -0.029 0.000 2.709 52 V HA 0.245 4.366 4.120 0.001 0.000 0.308 52 V C -2.308 173.662 176.094 -0.207 0.000 1.062 52 V CA -2.089 60.108 62.300 -0.171 0.000 0.901 52 V CB 1.971 33.657 31.823 -0.228 0.000 1.003 52 V HN 0.611 nan 8.190 nan 0.000 0.425 53 P HA 0.091 nan 4.420 nan 0.000 0.264 53 P C 0.505 177.684 177.300 -0.202 0.000 1.193 53 P CA 0.061 63.040 63.100 -0.202 0.000 0.763 53 P CB 0.631 32.206 31.700 -0.209 0.000 0.810 54 Q N 4.395 124.126 119.800 -0.114 0.000 2.173 54 Q HA -0.263 4.077 4.340 0.001 0.000 0.208 54 Q C 1.821 177.752 176.000 -0.115 0.000 0.989 54 Q CA 1.944 57.691 55.803 -0.093 0.000 0.872 54 Q CB -0.437 28.268 28.738 -0.054 0.000 0.909 54 Q HN 0.372 nan 8.270 nan 0.000 0.420 55 K N -1.104 119.225 120.400 -0.118 0.000 2.032 55 K HA -0.139 4.182 4.320 0.001 0.000 0.209 55 K C 1.840 178.316 176.600 -0.207 0.000 1.048 55 K CA 1.635 57.854 56.287 -0.113 0.000 0.927 55 K CB -0.093 32.374 32.500 -0.054 0.000 0.712 55 K HN 0.174 nan 8.250 nan 0.000 0.441 56 V N 1.620 121.314 119.914 -0.367 0.000 2.307 56 V HA -0.225 3.896 4.120 0.001 0.000 0.245 56 V C 2.432 178.341 176.094 -0.308 0.000 1.045 56 V CA 1.953 63.951 62.300 -0.505 0.000 1.024 56 V CB -0.488 30.811 31.823 -0.873 0.000 0.651 56 V HN 0.424 nan 8.190 nan 0.000 0.449 57 K N 0.033 120.298 120.400 -0.224 0.000 2.074 57 K HA -0.273 4.048 4.320 0.001 0.000 0.209 57 K C 1.811 178.311 176.600 -0.167 0.000 1.048 57 K CA 2.203 58.410 56.287 -0.133 0.000 0.926 57 K CB -0.285 32.168 32.500 -0.078 0.000 0.713 57 K HN 0.442 nan 8.250 nan 0.000 0.444 58 D N 0.986 121.304 120.400 -0.137 0.000 2.117 58 D HA -0.150 4.490 4.640 0.001 0.000 0.198 58 D C 2.051 178.283 176.300 -0.113 0.000 0.982 58 D CA 0.774 54.714 54.000 -0.101 0.000 0.828 58 D CB -0.176 40.582 40.800 -0.070 0.000 0.967 58 D HN 0.226 nan 8.370 nan 0.000 0.464 59 L N 0.742 121.879 121.223 -0.143 0.000 1.989 59 L HA -0.226 4.114 4.340 0.001 0.000 0.211 59 L C 2.476 179.237 176.870 -0.183 0.000 1.071 59 L CA 1.429 56.187 54.840 -0.137 0.000 0.749 59 L CB -0.370 41.600 42.059 -0.147 0.000 0.890 59 L HN -0.011 nan 8.230 nan 0.000 0.431 60 A N -0.866 121.764 122.820 -0.316 0.000 1.892 60 A HA -0.335 3.985 4.320 0.001 0.000 0.218 60 A C 2.102 179.554 177.584 -0.220 0.000 1.188 60 A CA 2.143 53.903 52.037 -0.461 0.000 0.631 60 A CB -0.637 17.676 19.000 -1.146 0.000 0.822 60 A HN 0.471 nan 8.150 nan 0.000 0.447 61 Q N -1.317 118.379 119.800 -0.172 0.000 2.084 61 Q HA -0.199 4.141 4.340 0.001 0.000 0.202 61 Q C 2.252 178.351 176.000 0.164 0.000 0.978 61 Q CA 1.981 57.804 55.803 0.032 0.000 0.844 61 Q CB -0.231 28.494 28.738 -0.022 0.000 0.898 61 Q HN 0.646 nan 8.270 nan 0.000 0.426 62 Q N -0.875 118.948 119.800 0.037 0.000 2.167 62 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 62 Q C 1.477 177.485 176.000 0.012 0.000 0.970 62 Q CA 1.295 57.111 55.803 0.021 0.000 0.855 62 Q CB 0.284 29.018 28.738 -0.007 0.000 0.911 62 Q HN 0.350 nan 8.270 nan 0.000 0.438 63 Q N -1.762 118.045 119.800 0.011 0.000 2.391 63 Q HA 0.072 4.412 4.340 0.001 0.000 0.243 63 Q C 1.860 177.857 176.000 -0.003 0.000 0.874 63 Q CA 0.261 56.071 55.803 0.011 0.000 0.950 63 Q CB -0.146 28.560 28.738 -0.052 0.000 1.103 63 Q HN 0.505 nan 8.270 nan 0.000 0.544 64 F N 1.613 121.480 119.950 -0.138 0.000 2.087 64 F HA -0.217 4.311 4.527 0.001 0.000 0.299 64 F C 2.070 177.834 175.800 -0.060 0.000 1.100 64 F CA 1.609 59.540 58.000 -0.113 0.000 1.226 64 F CB -0.971 37.957 39.000 -0.120 0.000 0.983 64 F HN -0.015 nan 8.300 nan 0.000 0.479 65 A N 1.165 123.261 122.820 -1.206 0.000 1.883 65 A HA 0.003 4.324 4.320 0.001 0.000 0.217 65 A C 2.564 179.911 177.584 -0.395 0.000 1.186 65 A CA 2.029 53.555 52.037 -0.851 0.000 0.624 65 A CB -1.817 16.744 19.000 -0.731 0.000 0.822 65 A HN 0.616 nan 8.150 nan 0.000 0.444 66 G N -1.908 106.763 108.800 -0.215 0.000 2.421 66 G HA2 -0.216 3.744 3.960 0.001 0.000 0.216 66 G HA3 -0.216 3.744 3.960 0.001 0.000 0.216 66 G C 1.481 176.333 174.900 -0.080 0.000 1.171 66 G CA 1.218 46.259 45.100 -0.098 0.000 0.775 66 G HN 0.508 nan 8.290 nan 0.000 0.543 67 Y N 1.323 121.509 120.300 -0.190 0.000 2.181 67 Y HA 0.049 4.600 4.550 0.001 0.000 0.288 67 Y C 3.133 178.881 175.900 -0.252 0.000 1.146 67 Y CA 0.747 58.744 58.100 -0.171 0.000 1.164 67 Y CB -0.471 37.919 38.460 -0.116 0.000 0.982 67 Y HN 0.267 nan 8.280 nan 0.000 0.515 68 A N -0.016 122.696 122.820 -0.181 0.000 1.877 68 A HA -0.244 4.076 4.320 0.001 0.000 0.216 68 A C 2.185 179.552 177.584 -0.361 0.000 1.186 68 A CA 2.092 53.905 52.037 -0.374 0.000 0.620 68 A CB -0.588 17.922 19.000 -0.817 0.000 0.822 68 A HN 0.288 nan 8.150 nan 0.000 0.443 69 K N 0.425 120.605 120.400 -0.366 0.000 2.057 69 K HA 0.001 4.321 4.320 0.001 0.000 0.207 69 K C 1.941 178.516 176.600 -0.041 0.000 1.049 69 K CA 1.826 58.077 56.287 -0.059 0.000 0.931 69 K CB -0.725 31.784 32.500 0.015 0.000 0.714 69 K HN 0.322 nan 8.250 nan 0.000 0.440 70 A N 0.426 123.178 122.820 -0.114 0.000 1.902 70 A HA -0.088 4.232 4.320 0.001 0.000 0.217 70 A C 2.105 179.616 177.584 -0.121 0.000 1.181 70 A CA 1.566 53.528 52.037 -0.124 0.000 0.623 70 A CB -0.655 18.227 19.000 -0.196 0.000 0.818 70 A HN 0.352 nan 8.150 nan 0.000 0.443 71 L N -0.272 120.847 121.223 -0.173 0.000 2.156 71 L HA -0.066 4.274 4.340 0.001 0.000 0.208 71 L C 1.541 178.387 176.870 -0.040 0.000 1.095 71 L CA 2.024 56.741 54.840 -0.205 0.000 0.770 71 L CB -0.608 41.142 42.059 -0.514 0.000 0.914 71 L HN 0.285 nan 8.230 nan 0.000 0.439 72 D N -0.262 120.183 120.400 0.074 0.000 2.117 72 D HA -0.223 4.418 4.640 0.001 0.000 0.197 72 D C 2.116 178.484 176.300 0.114 0.000 0.987 72 D CA 1.149 55.275 54.000 0.211 0.000 0.829 72 D CB 0.087 41.064 40.800 0.295 0.000 0.961 72 D HN 0.337 nan 8.370 nan 0.000 0.460 73 K N 0.329 120.766 120.400 0.060 0.000 2.044 73 K HA -0.198 4.122 4.320 0.001 0.000 0.210 73 K C 2.023 178.633 176.600 0.016 0.000 1.049 73 K CA 1.218 57.523 56.287 0.030 0.000 0.927 73 K CB 0.182 32.680 32.500 -0.003 0.000 0.713 73 K HN -0.029 nan 8.250 nan 0.000 0.443 74 Q N 0.321 120.119 119.800 -0.002 0.000 2.020 74 Q HA -0.069 4.272 4.340 0.001 0.000 0.202 74 Q C 2.096 178.113 176.000 0.028 0.000 0.982 74 Q CA 1.644 57.443 55.803 -0.006 0.000 0.838 74 Q CB -0.322 28.395 28.738 -0.034 0.000 0.899 74 Q HN 0.245 nan 8.270 nan 0.000 0.423 75 S N 1.020 116.755 115.700 0.058 0.000 2.603 75 S HA -0.028 4.442 4.470 0.001 0.000 0.229 75 S C -0.256 174.389 174.600 0.076 0.000 0.972 75 S CA -0.000 58.252 58.200 0.086 0.000 0.935 75 S CB -0.551 62.740 63.200 0.151 0.000 0.769 75 S HN 0.462 nan 8.310 nan 0.000 0.536 76 N N 0.935 119.671 118.700 0.060 0.000 2.525 76 N HA -0.135 4.605 4.740 0.001 0.000 0.283 76 N C -0.767 174.782 175.510 0.066 0.000 1.259 76 N CA 0.291 53.371 53.050 0.051 0.000 0.689 76 N CB -0.732 37.778 38.487 0.039 0.000 0.899 76 N HN 0.489 nan 8.380 nan 0.000 0.541 77 A N 1.453 124.321 122.820 0.080 0.000 2.486 77 A HA 0.571 4.891 4.320 0.001 0.000 0.300 77 A C -0.181 177.452 177.584 0.081 0.000 1.048 77 A CA -0.782 51.308 52.037 0.090 0.000 0.696 77 A CB 1.443 20.525 19.000 0.136 0.000 1.278 77 A HN 0.351 nan 8.150 nan 0.000 0.405 78 K N 1.051 121.486 120.400 0.058 0.000 2.436 78 K HA 0.308 4.628 4.320 0.001 0.000 0.275 78 K C 0.706 177.332 176.600 0.043 0.000 0.999 78 K CA 0.567 56.877 56.287 0.038 0.000 0.980 78 K CB 0.366 32.876 32.500 0.018 0.000 0.919 78 K HN 0.873 nan 8.250 nan 0.000 0.484 79 T N 0.204 114.771 114.554 0.022 0.000 2.816 79 T HA 0.658 5.008 4.350 0.001 0.000 0.282 79 T C 0.507 175.133 174.700 -0.123 0.000 0.993 79 T CA -0.349 61.744 62.100 -0.012 0.000 0.994 79 T CB 1.541 70.410 68.868 0.003 0.000 1.025 79 T HN 0.696 nan 8.240 nan 0.000 0.529 80 G N -0.096 108.508 108.800 -0.328 0.000 2.489 80 G HA2 0.478 4.438 3.960 0.001 0.000 0.305 80 G HA3 0.478 4.438 3.960 0.001 0.000 0.305 80 G C -1.688 172.888 174.900 -0.538 0.000 1.311 80 G CA -1.205 43.695 45.100 -0.334 0.000 0.813 80 G HN 0.761 nan 8.290 nan 0.000 0.480 81 K N 0.461 120.673 120.400 -0.314 0.000 2.312 81 K HA 0.383 4.703 4.320 0.001 0.000 0.287 81 K C -1.214 175.289 176.600 -0.161 0.000 1.062 81 K CA -0.001 56.157 56.287 -0.214 0.000 0.934 81 K CB 0.680 33.144 32.500 -0.061 0.000 1.027 81 K HN 0.380 nan 8.250 nan 0.000 0.478 82 Y N 1.704 122.084 120.300 0.132 0.000 2.334 82 Y HA 0.279 4.829 4.550 0.000 0.000 0.328 82 Y C 0.328 176.464 175.900 0.392 0.000 1.130 82 Y CA -0.616 57.627 58.100 0.239 0.000 1.163 82 Y CB 1.266 39.847 38.460 0.202 0.000 1.207 82 Y HN 0.504 nan 8.280 nan 0.000 0.471 83 E N 2.042 122.575 120.200 0.554 0.000 2.383 83 E HA 0.460 4.811 4.350 0.001 0.000 0.275 83 E C -1.576 175.014 176.600 -0.016 0.000 0.918 83 E CA -0.994 55.587 56.400 0.302 0.000 0.764 83 E CB 2.822 32.613 29.700 0.152 0.000 1.252 83 E HN 0.428 nan 8.360 nan 0.000 0.449 84 L N 2.062 123.017 121.223 -0.448 0.000 2.272 84 L HA 0.453 4.793 4.340 0.001 0.000 0.289 84 L C 0.539 177.338 176.870 -0.120 0.000 1.032 84 L CA -0.318 54.230 54.840 -0.486 0.000 0.810 84 L CB 1.048 42.584 42.059 -0.871 0.000 1.205 84 L HN 0.703 nan 8.230 nan 0.000 0.422 85 G N 2.778 111.594 108.800 0.026 0.000 2.553 85 G HA2 0.108 4.069 3.960 0.001 0.000 0.278 85 G HA3 0.108 4.069 3.960 0.001 0.000 0.278 85 G C -0.451 174.522 174.900 0.122 0.000 1.349 85 G CA -0.405 44.741 45.100 0.076 0.000 1.037 85 G HN 0.649 nan 8.290 nan 0.000 0.508 86 E N -0.529 119.727 120.200 0.092 0.000 2.331 86 E HA 0.468 4.819 4.350 0.001 0.000 0.272 86 E C 0.386 176.998 176.600 0.021 0.000 1.036 86 E CA -0.633 55.805 56.400 0.063 0.000 0.864 86 E CB 0.901 30.627 29.700 0.042 0.000 1.035 86 E HN 0.549 nan 8.360 nan 0.000 0.408 87 A N 3.952 126.628 122.820 -0.240 0.000 2.477 87 A HA 0.344 4.664 4.320 0.001 0.000 0.246 87 A C -0.542 177.005 177.584 -0.062 0.000 1.078 87 A CA -0.176 51.557 52.037 -0.507 0.000 0.770 87 A CB -0.205 18.108 19.000 -1.145 0.000 1.011 87 A HN 0.530 nan 8.150 nan 0.000 0.494 88 F N 0.245 120.145 119.950 -0.082 0.000 2.594 88 F HA 0.898 5.425 4.527 0.001 0.000 0.335 88 F C -0.233 175.611 175.800 0.075 0.000 1.058 88 F CA -1.418 56.587 58.000 0.008 0.000 0.981 88 F CB 1.323 40.327 39.000 0.006 0.000 1.289 88 F HN 0.410 nan 8.300 nan 0.000 0.490 89 K N 0.893 121.413 120.400 0.200 0.000 2.350 89 K HA 0.732 5.052 4.320 0.001 0.000 0.241 89 K C -1.298 175.284 176.600 -0.030 0.000 0.994 89 K CA -0.559 55.711 56.287 -0.028 0.000 0.839 89 K CB 2.553 34.954 32.500 -0.164 0.000 1.244 89 K HN 0.650 nan 8.250 nan 0.000 0.443 90 I N 1.351 121.760 120.570 -0.268 0.000 2.693 90 I HA 0.441 4.612 4.170 0.001 0.000 0.303 90 I C -1.214 174.589 176.117 -0.525 0.000 1.025 90 I CA -0.966 60.236 61.300 -0.164 0.000 1.086 90 I CB 1.328 39.341 38.000 0.020 0.000 1.268 90 I HN 0.461 nan 8.210 nan 0.000 0.440 91 Y N 2.632 122.968 120.300 0.060 0.000 2.524 91 Y HA 0.423 4.974 4.550 0.001 0.000 0.347 91 Y C -0.158 175.710 175.900 -0.054 0.000 1.005 91 Y CA -1.063 57.036 58.100 -0.001 0.000 1.025 91 Y CB 1.524 39.965 38.460 -0.033 0.000 1.275 91 Y HN 0.322 nan 8.280 nan 0.000 0.460 92 K N 1.155 121.616 120.400 0.102 0.000 2.180 92 K HA 0.142 4.462 4.320 0.001 0.000 0.251 92 K C 0.179 176.824 176.600 0.075 0.000 1.014 92 K CA -0.141 56.203 56.287 0.095 0.000 0.913 92 K CB 0.402 32.944 32.500 0.070 0.000 1.008 92 K HN 0.607 nan 8.250 nan 0.000 0.490 93 F N 1.378 121.398 119.950 0.116 0.000 2.333 93 F HA -0.177 4.350 4.527 0.001 0.000 0.300 93 F C 1.966 177.798 175.800 0.055 0.000 1.083 93 F CA 0.996 59.035 58.000 0.065 0.000 1.395 93 F CB -0.347 38.664 39.000 0.017 0.000 1.056 93 F HN 0.589 nan 8.300 nan 0.000 0.529 94 N N -0.013 118.821 118.700 0.225 0.000 2.461 94 N HA 0.093 4.834 4.740 0.001 0.000 0.188 94 N C 1.534 177.099 175.510 0.092 0.000 1.134 94 N CA 0.991 54.123 53.050 0.137 0.000 0.878 94 N CB 0.027 38.585 38.487 0.118 0.000 0.972 94 N HN 0.322 nan 8.380 nan 0.000 0.456 95 G N -0.312 108.546 108.800 0.097 0.000 2.213 95 G HA2 -0.303 3.657 3.960 0.001 0.000 0.236 95 G HA3 -0.303 3.657 3.960 0.001 0.000 0.236 95 G C -0.265 174.728 174.900 0.155 0.000 0.991 95 G CA 0.123 45.276 45.100 0.088 0.000 0.629 95 G HN 0.604 nan 8.290 nan 0.000 0.517 96 E N 1.139 121.408 120.200 0.115 0.000 2.376 96 E HA 0.340 4.690 4.350 0.001 0.000 0.266 96 E C 0.138 176.805 176.600 0.112 0.000 1.009 96 E CA -0.152 56.296 56.400 0.079 0.000 0.902 96 E CB 0.308 30.002 29.700 -0.011 0.000 0.972 96 E HN 0.444 nan 8.360 nan 0.000 0.439 97 E N 4.389 124.633 120.200 0.073 0.000 2.227 97 E HA -0.006 4.345 4.350 0.001 0.000 0.282 97 E C -0.549 175.954 176.600 -0.162 0.000 1.015 97 E CA -0.673 55.658 56.400 -0.115 0.000 0.823 97 E CB 0.837 30.506 29.700 -0.052 0.000 1.081 97 E HN 0.524 nan 8.360 nan 0.000 0.396 98 D N 3.196 123.460 120.400 -0.226 0.000 2.472 98 D HA -0.095 4.545 4.640 0.001 0.000 0.237 98 D C 0.577 176.794 176.300 -0.140 0.000 1.141 98 D CA 0.024 53.985 54.000 -0.064 0.000 0.875 98 D CB 0.717 41.557 40.800 0.068 0.000 1.192 98 D HN 0.596 nan 8.370 nan 0.000 0.450 99 N N 1.225 119.873 118.700 -0.087 0.000 2.521 99 N HA -0.073 4.668 4.740 0.001 0.000 0.188 99 N C -0.428 174.890 175.510 -0.320 0.000 1.146 99 N CA -0.155 52.794 53.050 -0.167 0.000 0.893 99 N CB 0.295 38.741 38.487 -0.068 0.000 0.975 99 N HN 0.014 nan 8.380 nan 0.000 0.451 100 S N -1.010 114.414 115.700 -0.460 0.000 2.739 100 S HA 0.512 4.982 4.470 0.001 0.000 0.306 100 S C -1.124 172.952 174.600 -0.875 0.000 1.115 100 S CA -0.649 57.192 58.200 -0.599 0.000 0.985 100 S CB 0.667 63.389 63.200 -0.797 0.000 1.133 100 S HN 0.166 nan 8.310 nan 0.000 0.541 101 Y N 0.319 120.285 120.300 -0.557 0.000 2.376 101 Y HA 0.502 5.052 4.550 0.001 0.000 0.340 101 Y C -1.100 174.348 175.900 -0.752 0.000 0.965 101 Y CA -0.778 57.012 58.100 -0.517 0.000 1.078 101 Y CB 0.918 39.177 38.460 -0.335 0.000 1.193 101 Y HN 0.505 nan 8.280 nan 0.000 0.452 102 Y N 2.520 122.531 120.300 -0.482 0.000 2.328 102 Y HA 0.461 5.011 4.550 0.001 0.000 0.337 102 Y C -1.083 174.517 175.900 -0.500 0.000 0.966 102 Y CA -1.414 56.356 58.100 -0.551 0.000 1.136 102 Y CB 0.737 38.547 38.460 -1.084 0.000 1.170 102 Y HN 0.484 nan 8.280 nan 0.000 0.470 103 Y N 4.128 124.422 120.300 -0.010 0.000 2.331 103 Y HA 0.462 5.013 4.550 0.001 0.000 0.338 103 Y C -2.367 173.645 175.900 0.186 0.000 0.992 103 Y CA -2.946 55.197 58.100 0.073 0.000 1.121 103 Y CB 1.517 39.961 38.460 -0.026 0.000 1.184 103 Y HN 0.421 nan 8.280 nan 0.000 0.469 104 P HA 0.126 nan 4.420 nan 0.000 0.275 104 P C -1.005 176.436 177.300 0.236 0.000 1.227 104 P CA -0.179 63.107 63.100 0.310 0.000 0.781 104 P CB 0.912 32.753 31.700 0.235 0.000 0.906 105 V N 5.702 125.769 119.914 0.254 0.000 2.328 105 V HA 0.310 4.431 4.120 0.001 0.000 0.278 105 V C 0.315 176.554 176.094 0.241 0.000 1.021 105 V CA -0.329 62.135 62.300 0.274 0.000 0.838 105 V CB 0.549 32.597 31.823 0.375 0.000 0.999 105 V HN 0.402 nan 8.190 nan 0.000 0.447 106 I N 4.952 125.659 120.570 0.227 0.000 2.392 106 I HA 0.492 4.663 4.170 0.001 0.000 0.295 106 I C 0.083 176.346 176.117 0.244 0.000 0.985 106 I CA -0.460 60.949 61.300 0.181 0.000 1.221 106 I CB 1.402 39.475 38.000 0.122 0.000 1.366 106 I HN 0.464 nan 8.210 nan 0.000 0.467 107 K N 6.070 126.566 120.400 0.161 0.000 2.483 107 K HA 0.181 4.501 4.320 0.001 0.000 0.256 107 K C -0.940 175.673 176.600 0.021 0.000 0.961 107 K CA -0.413 55.944 56.287 0.116 0.000 0.873 107 K CB 0.769 33.348 32.500 0.133 0.000 1.107 107 K HN 0.609 nan 8.250 nan 0.000 0.432 108 D N 3.721 124.116 120.400 -0.008 0.000 2.689 108 D HA -0.205 4.435 4.640 0.001 0.000 0.237 108 D C 0.733 177.036 176.300 0.004 0.000 1.148 108 D CA 1.793 55.784 54.000 -0.015 0.000 0.656 108 D CB -1.077 39.701 40.800 -0.036 0.000 1.050 108 D HN 1.110 nan 8.370 nan 0.000 0.426 109 G N -0.793 108.021 108.800 0.023 0.000 2.253 109 G HA2 -0.365 3.596 3.960 0.001 0.000 0.251 109 G HA3 -0.365 3.596 3.960 0.001 0.000 0.251 109 G C 0.348 175.260 174.900 0.020 0.000 0.998 109 G CA 0.706 45.819 45.100 0.021 0.000 0.621 109 G HN 0.493 nan 8.290 nan 0.000 0.524 110 K N 0.355 120.765 120.400 0.017 0.000 2.159 110 K HA 0.634 4.954 4.320 0.001 0.000 0.266 110 K C 0.221 176.830 176.600 0.016 0.000 0.975 110 K CA -0.835 55.457 56.287 0.008 0.000 0.865 110 K CB 1.723 34.217 32.500 -0.009 0.000 1.087 110 K HN 0.224 nan 8.250 nan 0.000 0.446 111 I N 3.840 124.417 120.570 0.013 0.000 2.421 111 I HA -0.059 4.112 4.170 0.001 0.000 0.291 111 I C 1.241 177.345 176.117 -0.023 0.000 1.089 111 I CA -0.109 61.207 61.300 0.027 0.000 1.354 111 I CB 0.499 38.520 38.000 0.036 0.000 1.413 111 I HN 0.526 nan 8.210 nan 0.000 0.513 112 V N 3.793 123.659 119.914 -0.081 0.000 3.455 112 V HA 0.268 4.388 4.120 0.001 0.000 0.250 112 V C 0.051 175.907 176.094 -0.397 0.000 1.230 112 V CA 0.373 62.487 62.300 -0.310 0.000 1.105 112 V CB -0.348 31.145 31.823 -0.549 0.000 0.850 112 V HN 0.532 nan 8.190 nan 0.000 0.461 113 Y N -0.143 120.247 120.300 0.150 0.000 2.669 113 Y HA 0.809 5.360 4.550 0.000 0.000 0.335 113 Y C -0.118 175.900 175.900 0.198 0.000 1.116 113 Y CA -1.223 56.974 58.100 0.161 0.000 1.081 113 Y CB 1.617 40.166 38.460 0.148 0.000 1.297 113 Y HN -0.166 nan 8.280 nan 0.000 0.484 114 T N 2.202 117.014 114.554 0.430 0.000 2.879 114 T HA 0.455 4.806 4.350 0.001 0.000 0.290 114 T C -1.645 173.237 174.700 0.304 0.000 0.993 114 T CA -0.442 61.893 62.100 0.392 0.000 0.975 114 T CB 1.236 70.403 68.868 0.499 0.000 0.981 114 T HN 0.384 nan 8.240 nan 0.000 0.439 115 L N 3.728 125.100 121.223 0.248 0.000 2.264 115 L HA 0.569 4.909 4.340 0.001 0.000 0.289 115 L C -0.109 176.813 176.870 0.086 0.000 1.044 115 L CA 0.200 55.109 54.840 0.114 0.000 0.807 115 L CB 1.058 43.142 42.059 0.043 0.000 1.192 115 L HN 0.617 nan 8.230 nan 0.000 0.425 116 T N 6.099 120.649 114.554 -0.006 0.000 2.771 116 T HA 0.501 4.852 4.350 0.001 0.000 0.281 116 T C -0.493 174.123 174.700 -0.141 0.000 0.982 116 T CA -0.464 61.541 62.100 -0.158 0.000 0.978 116 T CB 0.989 69.761 68.868 -0.159 0.000 0.930 116 T HN 0.265 nan 8.240 nan 0.000 0.447 117 L N 3.467 124.597 121.223 -0.154 0.000 2.298 117 L HA 0.586 4.926 4.340 0.001 0.000 0.284 117 L C 0.055 176.965 176.870 0.067 0.000 1.013 117 L CA -0.287 54.544 54.840 -0.014 0.000 0.824 117 L CB 1.194 43.236 42.059 -0.029 0.000 1.221 117 L HN 0.689 nan 8.230 nan 0.000 0.418 118 S N 3.604 119.382 115.700 0.130 0.000 2.661 118 S HA 0.600 5.071 4.470 0.001 0.000 0.285 118 S C -2.648 171.946 174.600 -0.010 0.000 1.138 118 S CA -1.331 56.884 58.200 0.025 0.000 0.855 118 S CB 2.408 65.524 63.200 -0.140 0.000 1.136 118 S HN 0.346 nan 8.310 nan 0.000 0.484 119 P HA 0.129 nan 4.420 nan 0.000 0.262 119 P C 0.259 177.504 177.300 -0.092 0.000 1.182 119 P CA 0.162 63.114 63.100 -0.246 0.000 0.761 119 P CB 0.446 32.054 31.700 -0.154 0.000 0.795 120 K N 2.695 123.038 120.400 -0.095 0.000 2.025 120 K HA -0.073 4.247 4.320 0.001 0.000 0.207 120 K C 0.190 176.802 176.600 0.021 0.000 1.049 120 K CA 1.392 57.676 56.287 -0.006 0.000 0.933 120 K CB 0.107 32.606 32.500 -0.002 0.000 0.714 120 K HN 0.491 nan 8.250 nan 0.000 0.438 121 N N -1.671 117.029 118.700 0.000 0.000 2.697 121 N HA 0.160 4.900 4.740 0.001 0.000 0.272 121 N C -0.467 175.053 175.510 0.018 0.000 1.381 121 N CA -0.776 52.288 53.050 0.024 0.000 0.797 121 N CB 1.390 39.887 38.487 0.016 0.000 1.523 121 N HN -0.240 nan 8.380 nan 0.000 0.518 122 K N 0.327 120.748 120.400 0.035 0.000 2.034 122 K HA -0.261 4.060 4.320 0.001 0.000 0.214 122 K C 0.926 177.532 176.600 0.010 0.000 1.051 122 K CA 1.686 57.991 56.287 0.030 0.000 0.931 122 K CB -0.181 32.341 32.500 0.037 0.000 0.715 122 K HN 0.583 nan 8.250 nan 0.000 0.446 123 D N 1.032 121.435 120.400 0.004 0.000 2.239 123 D HA -0.206 4.434 4.640 0.001 0.000 0.202 123 D C 1.175 177.463 176.300 -0.019 0.000 0.993 123 D CA 1.242 55.239 54.000 -0.005 0.000 0.874 123 D CB 0.003 40.800 40.800 -0.006 0.000 0.922 123 D HN 0.214 nan 8.370 nan 0.000 0.464 124 D N -0.164 120.215 120.400 -0.034 0.000 2.277 124 D HA -0.038 4.603 4.640 0.001 0.000 0.208 124 D C 2.119 178.381 176.300 -0.064 0.000 0.962 124 D CA 0.068 54.026 54.000 -0.069 0.000 0.865 124 D CB 0.123 40.852 40.800 -0.118 0.000 0.939 124 D HN 0.365 nan 8.370 nan 0.000 0.510 125 L N 0.606 121.810 121.223 -0.033 0.000 2.549 125 L HA -0.054 4.286 4.340 0.001 0.000 0.229 125 L C 1.500 178.362 176.870 -0.013 0.000 1.158 125 L CA 0.661 55.490 54.840 -0.019 0.000 0.842 125 L CB -0.296 41.767 42.059 0.006 0.000 0.952 125 L HN 0.009 nan 8.230 nan 0.000 0.452 126 N N -0.904 117.788 118.700 -0.015 0.000 2.388 126 N HA 0.025 4.765 4.740 0.001 0.000 0.176 126 N C 0.343 175.848 175.510 -0.009 0.000 1.062 126 N CA -0.054 52.991 53.050 -0.008 0.000 0.895 126 N CB 0.480 38.964 38.487 -0.005 0.000 1.018 126 N HN 0.286 nan 8.380 nan 0.000 0.456 127 K N 1.071 121.459 120.400 -0.019 0.000 2.155 127 K HA 0.233 4.553 4.320 0.001 0.000 0.237 127 K C 0.398 176.993 176.600 -0.007 0.000 1.040 127 K CA -0.475 55.803 56.287 -0.015 0.000 0.912 127 K CB 0.799 33.282 32.500 -0.028 0.000 1.137 127 K HN -0.021 nan 8.250 nan 0.000 0.498 128 S N -0.327 115.378 115.700 0.009 0.000 2.693 128 S HA 0.170 4.640 4.470 0.001 0.000 0.276 128 S C 0.756 175.391 174.600 0.059 0.000 1.192 128 S CA -0.687 57.532 58.200 0.032 0.000 0.994 128 S CB 1.223 64.446 63.200 0.038 0.000 1.012 128 S HN 0.515 nan 8.310 nan 0.000 0.550 129 K N 0.411 120.875 120.400 0.107 0.000 2.211 129 K HA -0.099 4.221 4.320 0.001 0.000 0.204 129 K C 1.662 178.402 176.600 0.232 0.000 1.047 129 K CA 1.424 57.842 56.287 0.217 0.000 0.935 129 K CB -0.123 32.524 32.500 0.244 0.000 0.728 129 K HN 0.569 nan 8.250 nan 0.000 0.452 130 E N 0.760 121.040 120.200 0.133 0.000 2.170 130 E HA -0.091 4.260 4.350 0.001 0.000 0.191 130 E C 1.275 177.934 176.600 0.098 0.000 0.981 130 E CA 0.942 57.403 56.400 0.103 0.000 0.830 130 E CB 0.056 29.792 29.700 0.059 0.000 0.775 130 E HN 0.350 nan 8.360 nan 0.000 0.470 131 D N 0.676 121.118 120.400 0.070 0.000 2.327 131 D HA 0.024 4.664 4.640 0.001 0.000 0.205 131 D C 1.361 177.671 176.300 0.017 0.000 0.989 131 D CA 0.097 54.122 54.000 0.041 0.000 0.873 131 D CB 0.113 40.926 40.800 0.021 0.000 0.955 131 D HN 0.252 nan 8.370 nan 0.000 0.515 132 M N 0.473 120.060 119.600 -0.022 0.000 2.232 132 M HA 0.176 4.656 4.480 0.001 0.000 0.321 132 M C -0.020 176.175 176.300 -0.175 0.000 1.101 132 M CA 0.092 55.304 55.300 -0.147 0.000 1.181 132 M CB 0.604 33.029 32.600 -0.292 0.000 1.432 132 M HN -0.358 nan 8.290 nan 0.000 0.457 133 N N 1.424 120.013 118.700 -0.184 0.000 2.498 133 N HA 0.361 5.102 4.740 0.001 0.000 0.287 133 N C -1.746 173.633 175.510 -0.218 0.000 1.097 133 N CA -0.128 52.871 53.050 -0.085 0.000 0.973 133 N CB 0.913 39.380 38.487 -0.034 0.000 1.153 133 N HN 0.585 nan 8.380 nan 0.000 0.472 134 Y N -0.219 120.080 120.300 -0.002 0.000 2.393 134 Y HA 0.224 4.774 4.550 0.001 0.000 0.341 134 Y C 0.906 176.803 175.900 -0.004 0.000 0.988 134 Y CA -0.818 57.279 58.100 -0.006 0.000 1.078 134 Y CB 1.344 39.792 38.460 -0.020 0.000 1.203 134 Y HN 0.398 nan 8.280 nan 0.000 0.453 135 S N 1.303 117.091 115.700 0.147 0.000 2.632 135 S HA 0.747 5.218 4.470 0.001 0.000 0.271 135 S C -0.780 173.868 174.600 0.080 0.000 1.260 135 S CA -0.713 57.554 58.200 0.113 0.000 1.010 135 S CB 1.342 64.610 63.200 0.113 0.000 0.965 135 S HN 0.369 nan 8.310 nan 0.000 0.534 136 V N 2.329 122.269 119.914 0.044 0.000 2.459 136 V HA 0.618 4.738 4.120 0.001 0.000 0.295 136 V C -0.013 176.044 176.094 -0.063 0.000 1.029 136 V CA -0.644 61.575 62.300 -0.136 0.000 0.874 136 V CB 1.389 32.975 31.823 -0.394 0.000 0.985 136 V HN 1.006 nan 8.190 nan 0.000 0.438 137 K N 4.825 125.178 120.400 -0.078 0.000 2.426 137 K HA 0.734 5.054 4.320 0.001 0.000 0.251 137 K C -1.871 174.759 176.600 0.050 0.000 0.941 137 K CA -0.697 55.650 56.287 0.100 0.000 0.808 137 K CB 2.853 35.432 32.500 0.133 0.000 1.265 137 K HN 0.676 nan 8.250 nan 0.000 0.432 138 I N 2.262 122.927 120.570 0.160 0.000 2.608 138 I HA 0.446 4.616 4.170 0.001 0.000 0.295 138 I C -1.206 174.924 176.117 0.021 0.000 1.049 138 I CA -0.096 61.260 61.300 0.093 0.000 1.063 138 I CB 2.017 40.086 38.000 0.114 0.000 1.248 138 I HN 0.981 nan 8.210 nan 0.000 0.424 139 S N 3.564 119.305 115.700 0.069 0.000 2.703 139 S HA 0.312 4.783 4.470 0.001 0.000 0.273 139 S C -0.583 174.184 174.600 0.278 0.000 1.178 139 S CA -0.655 57.607 58.200 0.103 0.000 0.838 139 S CB 1.066 64.348 63.200 0.136 0.000 1.178 139 S HN 0.700 nan 8.310 nan 0.000 0.494 140 N N 0.285 119.179 118.700 0.325 0.000 2.295 140 N HA 0.132 4.873 4.740 0.001 0.000 0.221 140 N C -0.265 175.411 175.510 0.277 0.000 1.129 140 N CA -0.568 52.705 53.050 0.371 0.000 0.836 140 N CB -0.676 38.002 38.487 0.318 0.000 1.040 140 N HN 0.551 nan 8.380 nan 0.000 0.494 141 F N 3.740 123.780 119.950 0.150 0.000 2.473 141 F HA -0.106 4.421 4.527 0.000 0.000 0.405 141 F C 1.525 177.366 175.800 0.068 0.000 0.988 141 F CA -0.135 57.910 58.000 0.075 0.000 1.096 141 F CB -0.305 38.735 39.000 0.066 0.000 0.944 141 F HN 0.293 nan 8.300 nan 0.000 0.530 142 I N 2.782 123.023 120.570 -0.547 0.000 5.839 142 I HA -0.431 3.739 4.170 0.001 0.000 0.194 142 I C 1.098 177.113 176.117 -0.169 0.000 1.676 142 I CA 0.950 61.959 61.300 -0.485 0.000 2.300 142 I CB -2.183 35.357 38.000 -0.766 0.000 3.105 142 I HN 0.591 nan 8.210 nan 0.000 0.327 143 A N 0.937 123.734 122.820 -0.038 0.000 1.877 143 A HA -0.147 4.174 4.320 0.001 0.000 0.216 143 A C 2.251 179.832 177.584 -0.006 0.000 1.186 143 A CA 1.884 53.939 52.037 0.031 0.000 0.620 143 A CB -0.388 18.661 19.000 0.081 0.000 0.822 143 A HN 0.544 nan 8.150 nan 0.000 0.443 144 K N 0.289 120.674 120.400 -0.026 0.000 2.063 144 K HA -0.156 4.165 4.320 0.001 0.000 0.208 144 K C 1.570 178.150 176.600 -0.034 0.000 1.048 144 K CA 1.612 57.880 56.287 -0.032 0.000 0.928 144 K CB -0.569 31.909 32.500 -0.037 0.000 0.713 144 K HN 0.589 nan 8.250 nan 0.000 0.442 145 D N 0.782 121.143 120.400 -0.064 0.000 2.117 145 D HA -0.148 4.493 4.640 0.001 0.000 0.197 145 D C 2.114 178.485 176.300 0.120 0.000 0.987 145 D CA 0.927 54.901 54.000 -0.043 0.000 0.829 145 D CB -0.014 40.630 40.800 -0.260 0.000 0.961 145 D HN 0.167 nan 8.370 nan 0.000 0.460 146 L N 0.562 121.844 121.223 0.099 0.000 2.109 146 L HA -0.137 4.203 4.340 0.001 0.000 0.207 146 L C 2.263 179.132 176.870 -0.001 0.000 1.086 146 L CA 0.820 55.683 54.840 0.038 0.000 0.760 146 L CB -0.264 41.766 42.059 -0.049 0.000 0.910 146 L HN -0.084 nan 8.230 nan 0.000 0.437 147 D N -0.046 120.355 120.400 0.001 0.000 2.123 147 D HA -0.243 4.398 4.640 0.001 0.000 0.196 147 D C 2.216 178.512 176.300 -0.006 0.000 0.992 147 D CA 1.330 55.327 54.000 -0.006 0.000 0.833 147 D CB 0.104 40.898 40.800 -0.009 0.000 0.954 147 D HN 0.229 nan 8.370 nan 0.000 0.455 148 Q N -0.681 119.119 119.800 -0.000 0.000 2.297 148 Q HA -0.090 4.250 4.340 0.001 0.000 0.208 148 Q C 1.561 177.561 176.000 -0.000 0.000 0.981 148 Q CA 1.119 56.921 55.803 -0.001 0.000 0.876 148 Q CB -0.052 28.686 28.738 -0.000 0.000 0.921 148 Q HN 0.638 nan 8.270 nan 0.000 0.446 149 I N -2.979 117.591 120.570 0.001 0.000 3.947 149 I HA 0.156 4.327 4.170 0.001 0.000 0.327 149 I C 1.214 177.308 176.117 -0.038 0.000 1.519 149 I CA -0.350 60.941 61.300 -0.014 0.000 1.122 149 I CB 0.207 38.203 38.000 -0.006 0.000 1.146 149 I HN -0.069 nan 8.210 nan 0.000 0.442 150 K N 0.359 120.738 120.400 -0.035 0.000 2.209 150 K HA -0.089 4.231 4.320 0.001 0.000 0.204 150 K C 0.643 177.221 176.600 -0.038 0.000 1.048 150 K CA 1.688 57.949 56.287 -0.044 0.000 0.940 150 K CB -0.181 32.302 32.500 -0.029 0.000 0.729 150 K HN 0.312 nan 8.250 nan 0.000 0.451 151 D N 0.979 121.362 120.400 -0.028 0.000 2.366 151 D HA -0.008 4.633 4.640 0.001 0.000 0.205 151 D C 0.086 176.371 176.300 -0.025 0.000 1.022 151 D CA 0.197 54.184 54.000 -0.023 0.000 0.868 151 D CB 0.245 41.035 40.800 -0.016 0.000 0.953 151 D HN 0.233 nan 8.370 nan 0.000 0.514 152 K N 1.657 122.040 120.400 -0.028 0.000 2.485 152 K HA -0.050 4.270 4.320 0.001 0.000 0.277 152 K C 0.266 176.846 176.600 -0.034 0.000 0.990 152 K CA -0.079 56.192 56.287 -0.028 0.000 0.994 152 K CB 0.375 32.859 32.500 -0.027 0.000 0.906 152 K HN -0.243 nan 8.250 nan 0.000 0.488 153 N N 2.341 121.024 118.700 -0.028 0.000 3.298 153 N HA 0.039 4.780 4.740 0.001 0.000 0.292 153 N C -1.520 173.970 175.510 -0.034 0.000 1.271 153 N CA -0.181 52.851 53.050 -0.030 0.000 1.184 153 N CB 0.206 38.680 38.487 -0.023 0.000 1.452 153 N HN 0.598 nan 8.380 nan 0.000 0.534 154 S N 0.204 115.876 115.700 -0.045 0.000 2.880 154 S HA 0.562 5.032 4.470 0.001 0.000 0.308 154 S C -1.201 173.357 174.600 -0.070 0.000 1.195 154 S CA -1.063 57.108 58.200 -0.050 0.000 0.866 154 S CB 1.277 64.450 63.200 -0.044 0.000 1.254 154 S HN 0.399 nan 8.310 nan 0.000 0.571 155 N N -0.046 118.607 118.700 -0.078 0.000 2.357 155 N HA 0.664 5.404 4.740 0.001 0.000 0.284 155 N C -0.971 174.462 175.510 -0.129 0.000 1.236 155 N CA -0.801 52.186 53.050 -0.105 0.000 0.774 155 N CB 1.845 40.283 38.487 -0.082 0.000 1.534 155 N HN 1.051 nan 8.380 nan 0.000 0.478 156 I N -3.257 117.200 120.570 -0.188 0.000 3.074 156 I HA 0.635 4.806 4.170 0.001 0.000 0.310 156 I C -1.142 174.853 176.117 -0.202 0.000 1.153 156 I CA -0.757 60.407 61.300 -0.226 0.000 0.993 156 I CB 2.446 40.176 38.000 -0.450 0.000 1.237 156 I HN 0.331 nan 8.210 nan 0.000 0.443 157 T N 2.697 117.164 114.554 -0.145 0.000 2.812 157 T HA 0.478 4.829 4.350 0.001 0.000 0.282 157 T C -0.389 174.307 174.700 -0.008 0.000 0.990 157 T CA -0.464 61.595 62.100 -0.068 0.000 0.960 157 T CB 1.720 70.560 68.868 -0.048 0.000 0.948 157 T HN 0.413 nan 8.240 nan 0.000 0.438 158 V N 5.550 125.502 119.914 0.064 0.000 2.408 158 V HA 0.384 4.505 4.120 0.001 0.000 0.267 158 V C 0.025 176.267 176.094 0.247 0.000 1.047 158 V CA -0.409 62.013 62.300 0.203 0.000 0.937 158 V CB 0.021 31.980 31.823 0.227 0.000 0.999 158 V HN 0.694 nan 8.190 nan 0.000 0.472 159 L N 3.994 125.360 121.223 0.238 0.000 2.286 159 L HA 0.872 5.213 4.340 0.001 0.000 0.265 159 L C 0.043 177.058 176.870 0.241 0.000 1.012 159 L CA -0.367 54.505 54.840 0.054 0.000 0.818 159 L CB 2.365 44.170 42.059 -0.424 0.000 1.337 159 L HN 0.619 nan 8.230 nan 0.000 0.438 160 T N -0.355 114.268 114.554 0.114 0.000 2.982 160 T HA 0.524 4.874 4.350 0.001 0.000 0.321 160 T C -1.942 172.977 174.700 0.364 0.000 1.229 160 T CA -0.612 61.585 62.100 0.162 0.000 1.044 160 T CB 1.403 70.177 68.868 -0.157 0.000 1.184 160 T HN 0.828 nan 8.240 nan 0.000 0.477 161 D N 1.970 122.615 120.400 0.407 0.000 2.781 161 D HA 0.415 5.055 4.640 0.001 0.000 0.295 161 D C 0.821 177.102 176.300 -0.032 0.000 1.143 161 D CA -0.565 53.647 54.000 0.354 0.000 1.076 161 D CB 0.208 41.153 40.800 0.242 0.000 1.444 161 D HN 0.423 nan 8.370 nan 0.000 0.567 162 E N -0.400 119.516 120.200 -0.473 0.000 2.209 162 E HA -0.120 4.230 4.350 0.001 0.000 0.196 162 E C 1.117 177.560 176.600 -0.262 0.000 0.993 162 E CA 1.409 57.518 56.400 -0.485 0.000 0.819 162 E CB -0.156 29.213 29.700 -0.552 0.000 0.745 162 E HN 0.381 nan 8.360 nan 0.000 0.477 163 K N -0.599 119.695 120.400 -0.176 0.000 2.404 163 K HA 0.273 4.593 4.320 0.001 0.000 0.194 163 K C 0.481 176.925 176.600 -0.261 0.000 1.023 163 K CA 0.304 56.486 56.287 -0.174 0.000 1.094 163 K CB 1.047 33.502 32.500 -0.075 0.000 0.841 163 K HN 0.183 nan 8.250 nan 0.000 0.523 164 G N 0.281 108.891 108.800 -0.316 0.000 2.332 164 G HA2 0.075 4.035 3.960 0.001 0.000 0.265 164 G HA3 0.075 4.035 3.960 0.001 0.000 0.265 164 G C -1.812 172.694 174.900 -0.658 0.000 1.329 164 G CA -1.077 43.724 45.100 -0.498 0.000 0.949 164 G HN 0.006 nan 8.290 nan 0.000 0.476 165 F N 0.088 119.774 119.950 -0.441 0.000 2.546 165 F HA 0.856 5.383 4.527 0.001 0.000 0.320 165 F C -0.323 175.114 175.800 -0.605 0.000 1.076 165 F CA -0.566 57.276 58.000 -0.263 0.000 0.928 165 F CB 2.236 41.222 39.000 -0.024 0.000 1.189 165 F HN 0.478 nan 8.300 nan 0.000 0.465 166 Y N 0.724 121.159 120.300 0.225 0.000 2.638 166 Y HA 0.655 5.205 4.550 0.001 0.000 0.339 166 Y C -1.176 174.918 175.900 0.323 0.000 1.084 166 Y CA -1.696 56.496 58.100 0.154 0.000 1.068 166 Y CB 1.367 39.945 38.460 0.197 0.000 1.294 166 Y HN 0.252 nan 8.280 nan 0.000 0.480 167 F N 0.970 121.026 119.950 0.177 0.000 2.507 167 F HA 0.347 4.874 4.527 0.001 0.000 0.325 167 F C -0.037 175.809 175.800 0.076 0.000 1.116 167 F CA -1.816 56.224 58.000 0.068 0.000 0.930 167 F CB 1.968 40.969 39.000 0.002 0.000 1.146 167 F HN 0.440 nan 8.300 nan 0.000 0.447 168 E N 3.489 123.802 120.200 0.187 0.000 2.092 168 E HA 0.211 4.561 4.350 0.001 0.000 0.271 168 E C -1.188 175.441 176.600 0.048 0.000 0.919 168 E CA -0.091 56.374 56.400 0.108 0.000 0.760 168 E CB 1.078 30.811 29.700 0.055 0.000 1.106 168 E HN 0.763 nan 8.360 nan 0.000 0.408 169 E N 3.925 124.162 120.200 0.061 0.000 2.224 169 E HA 0.135 4.485 4.350 0.001 0.000 0.265 169 E C -1.040 175.573 176.600 0.021 0.000 0.878 169 E CA -0.552 55.862 56.400 0.024 0.000 0.759 169 E CB 0.823 30.547 29.700 0.040 0.000 1.164 169 E HN 0.482 nan 8.360 nan 0.000 0.414 170 D N 3.367 123.768 120.400 0.003 0.000 2.689 170 D HA -0.226 4.415 4.640 0.001 0.000 0.237 170 D C 0.772 177.078 176.300 0.010 0.000 1.148 170 D CA 1.325 55.326 54.000 0.002 0.000 0.656 170 D CB -1.330 39.472 40.800 0.004 0.000 1.050 170 D HN 0.992 nan 8.370 nan 0.000 0.426 171 G N -0.483 108.324 108.800 0.012 0.000 2.220 171 G HA2 -0.388 3.572 3.960 0.001 0.000 0.269 171 G HA3 -0.388 3.572 3.960 0.001 0.000 0.269 171 G C 0.336 175.255 174.900 0.031 0.000 0.977 171 G CA 1.055 46.165 45.100 0.018 0.000 0.634 171 G HN 0.513 nan 8.290 nan 0.000 0.539 172 K N 0.021 120.445 120.400 0.039 0.000 2.138 172 K HA 0.614 4.934 4.320 0.001 0.000 0.263 172 K C -0.328 176.322 176.600 0.083 0.000 0.965 172 K CA -0.756 55.562 56.287 0.051 0.000 0.868 172 K CB 2.672 35.197 32.500 0.043 0.000 1.083 172 K HN 0.010 nan 8.250 nan 0.000 0.443 173 V N 3.943 123.915 119.914 0.096 0.000 2.370 173 V HA 0.383 4.503 4.120 0.001 0.000 0.283 173 V C -0.278 175.918 176.094 0.169 0.000 1.023 173 V CA -0.736 61.655 62.300 0.152 0.000 0.857 173 V CB 1.044 32.961 31.823 0.156 0.000 0.985 173 V HN 0.795 nan 8.190 nan 0.000 0.443 174 R N 4.111 124.745 120.500 0.224 0.000 2.686 174 R HA 0.745 5.086 4.340 0.001 0.000 0.286 174 R C -1.170 175.263 176.300 0.222 0.000 0.969 174 R CA -0.984 55.228 56.100 0.186 0.000 0.898 174 R CB 1.738 32.093 30.300 0.090 0.000 1.183 174 R HN 0.511 nan 8.270 nan 0.000 0.456 175 L N 3.436 124.757 121.223 0.165 0.000 2.462 175 L HA 0.092 4.433 4.340 0.001 0.000 0.272 175 L C -0.031 176.692 176.870 -0.245 0.000 1.166 175 L CA 0.477 55.258 54.840 -0.098 0.000 0.880 175 L CB 1.487 43.488 42.059 -0.098 0.000 1.142 175 L HN 0.766 nan 8.230 nan 0.000 0.473 176 V N 3.954 123.632 119.914 -0.392 0.000 3.455 176 V HA 0.246 4.367 4.120 0.001 0.000 0.250 176 V C 0.396 176.277 176.094 -0.355 0.000 1.230 176 V CA 0.229 62.248 62.300 -0.468 0.000 1.105 176 V CB -0.088 31.220 31.823 -0.858 0.000 0.850 176 V HN 0.812 nan 8.190 nan 0.000 0.461 177 K N 0.468 120.696 120.400 -0.287 0.000 2.588 177 K HA 0.642 4.962 4.320 0.001 0.000 0.250 177 K C -1.081 175.405 176.600 -0.190 0.000 0.972 177 K CA -0.265 55.925 56.287 -0.162 0.000 0.821 177 K CB 2.005 34.486 32.500 -0.032 0.000 1.249 177 K HN 0.153 nan 8.250 nan 0.000 0.442 178 A N 1.933 124.619 122.820 -0.224 0.000 2.310 178 A HA 0.484 4.805 4.320 0.001 0.000 0.299 178 A C -0.146 177.091 177.584 -0.579 0.000 1.147 178 A CA -0.378 51.469 52.037 -0.316 0.000 0.818 178 A CB 0.657 19.538 19.000 -0.198 0.000 1.096 178 A HN 0.688 nan 8.150 nan 0.000 0.495 179 T N 0.574 114.656 114.554 -0.787 0.000 3.327 179 T HA 0.544 4.894 4.350 0.001 0.000 0.373 179 T C -3.006 171.145 174.700 -0.914 0.000 1.589 179 T CA -1.753 59.386 62.100 -1.602 0.000 1.497 179 T CB 0.443 68.378 68.868 -1.555 0.000 1.032 179 T HN 0.318 nan 8.240 nan 0.000 0.640 180 P HA 0.433 nan 4.420 nan 0.000 0.271 180 P C -0.637 176.735 177.300 0.120 0.000 1.220 180 P CA -0.377 62.656 63.100 -0.113 0.000 0.768 180 P CB 0.694 32.368 31.700 -0.044 0.000 0.848 181 L N 1.690 122.947 121.223 0.056 0.000 2.350 181 L HA 0.555 4.895 4.340 0.001 0.000 0.260 181 L C 1.425 178.345 176.870 0.084 0.000 1.015 181 L CA -0.981 53.932 54.840 0.121 0.000 0.821 181 L CB 1.820 43.945 42.059 0.110 0.000 1.370 181 L HN 0.235 nan 8.230 nan 0.000 0.416 182 A N 1.153 124.039 122.820 0.110 0.000 1.978 182 A HA -0.177 4.143 4.320 0.001 0.000 0.220 182 A C 1.524 179.163 177.584 0.090 0.000 1.170 182 A CA 1.981 54.073 52.037 0.091 0.000 0.636 182 A CB -0.665 18.397 19.000 0.103 0.000 0.810 182 A HN 0.906 nan 8.150 nan 0.000 0.448 183 N N -0.417 118.347 118.700 0.108 0.000 2.383 183 N HA -0.075 4.665 4.740 0.001 0.000 0.192 183 N C 0.368 175.897 175.510 0.030 0.000 1.141 183 N CA 1.146 54.248 53.050 0.087 0.000 0.851 183 N CB -0.232 38.326 38.487 0.117 0.000 0.976 183 N HN 0.649 nan 8.380 nan 0.000 0.465 184 N N -0.643 118.061 118.700 0.007 0.000 2.075 184 N HA 0.026 4.766 4.740 0.001 0.000 0.226 184 N C 0.979 176.465 175.510 -0.041 0.000 1.343 184 N CA -0.411 52.615 53.050 -0.039 0.000 0.881 184 N CB -0.525 37.913 38.487 -0.081 0.000 1.100 184 N HN -0.009 nan 8.380 nan 0.000 0.495 185 I N 1.379 121.934 120.570 -0.024 0.000 2.850 185 I HA -0.042 4.129 4.170 0.001 0.000 0.266 185 I C 0.183 176.281 176.117 -0.032 0.000 1.257 185 I CA 1.006 62.284 61.300 -0.037 0.000 1.465 185 I CB -0.047 37.930 38.000 -0.037 0.000 1.091 185 I HN 0.405 nan 8.210 nan 0.000 0.467 186 K N -0.571 119.817 120.400 -0.020 0.000 3.365 186 K HA 0.361 4.681 4.320 0.001 0.000 0.187 186 K C -0.656 175.934 176.600 -0.017 0.000 1.062 186 K CA -0.455 55.822 56.287 -0.016 0.000 0.882 186 K CB 0.440 32.938 32.500 -0.005 0.000 0.750 186 K HN -0.018 nan 8.250 nan 0.000 0.479 187 E N 0.863 121.045 120.200 -0.030 0.000 2.423 187 E HA 0.333 4.684 4.350 0.001 0.000 0.269 187 E C -1.090 175.481 176.600 -0.048 0.000 0.948 187 E CA -1.214 55.165 56.400 -0.035 0.000 0.802 187 E CB 1.313 30.989 29.700 -0.040 0.000 1.339 187 E HN -0.051 nan 8.360 nan 0.000 0.445 188 K N 1.644 122.013 120.400 -0.052 0.000 2.292 188 K HA 0.101 4.421 4.320 0.001 0.000 0.290 188 K C -0.136 176.414 176.600 -0.083 0.000 1.083 188 K CA -0.015 56.236 56.287 -0.060 0.000 0.918 188 K CB 0.015 32.484 32.500 -0.052 0.000 1.089 188 K HN 0.370 nan 8.250 nan 0.000 0.473 189 E N 2.690 122.837 120.200 -0.087 0.000 2.603 189 E HA -0.087 4.264 4.350 0.001 0.000 0.242 189 E C -0.117 176.399 176.600 -0.141 0.000 1.083 189 E CA 0.078 56.411 56.400 -0.111 0.000 0.950 189 E CB 0.262 29.907 29.700 -0.092 0.000 0.952 189 E HN 0.491 nan 8.360 nan 0.000 0.498 190 S N 3.014 118.614 115.700 -0.167 0.000 2.589 190 S HA 0.135 4.606 4.470 0.001 0.000 0.256 190 S C -0.095 174.346 174.600 -0.266 0.000 1.383 190 S CA -0.005 58.085 58.200 -0.183 0.000 0.983 190 S CB 0.374 63.473 63.200 -0.168 0.000 0.908 190 S HN 0.660 nan 8.310 nan 0.000 0.572 191 A N 2.468 125.128 122.820 -0.267 0.000 2.451 191 A HA 0.301 4.622 4.320 0.001 0.000 0.266 191 A C 0.625 177.833 177.584 -0.627 0.000 1.119 191 A CA -0.363 51.478 52.037 -0.327 0.000 0.786 191 A CB 0.113 18.992 19.000 -0.201 0.000 1.061 191 A HN 0.709 nan 8.150 nan 0.000 0.503 192 K N 2.438 122.438 120.400 -0.667 0.000 2.665 192 K HA 0.047 4.367 4.320 0.001 0.000 0.214 192 K C -0.098 176.237 176.600 -0.442 0.000 1.032 192 K CA 0.292 55.956 56.287 -1.038 0.000 1.198 192 K CB -0.788 31.363 32.500 -0.582 0.000 0.941 192 K HN 0.602 nan 8.250 nan 0.000 0.491 193 T N 1.467 115.855 114.554 -0.277 0.000 2.729 193 T HA 0.152 4.502 4.350 0.001 0.000 0.296 193 T C 0.342 175.151 174.700 0.183 0.000 0.928 193 T CA -0.421 61.669 62.100 -0.016 0.000 1.045 193 T CB 1.299 70.145 68.868 -0.037 0.000 0.902 193 T HN -0.139 nan 8.240 nan 0.000 0.500 194 V N 5.305 125.365 119.914 0.243 0.000 2.450 194 V HA 0.094 4.214 4.120 0.001 0.000 0.281 194 V C 1.120 177.282 176.094 0.112 0.000 1.019 194 V CA -0.375 62.057 62.300 0.220 0.000 1.062 194 V CB -0.075 31.811 31.823 0.105 0.000 0.979 194 V HN 1.084 nan 8.190 nan 0.000 0.477 195 S N 6.338 122.104 115.700 0.110 0.000 2.585 195 S HA 0.260 4.731 4.470 0.001 0.000 0.273 195 S C -1.684 172.931 174.600 0.024 0.000 1.339 195 S CA -0.989 57.247 58.200 0.061 0.000 1.028 195 S CB 1.084 64.325 63.200 0.067 0.000 0.906 195 S HN 0.541 nan 8.310 nan 0.000 0.528 196 P HA -0.044 nan 4.420 nan 0.000 0.223 196 P C 1.203 178.499 177.300 -0.008 0.000 1.151 196 P CA 0.947 64.046 63.100 -0.001 0.000 0.787 196 P CB -0.021 31.680 31.700 0.002 0.000 0.788 197 Q N -0.845 118.956 119.800 0.001 0.000 2.119 197 Q HA -0.125 4.216 4.340 0.001 0.000 0.201 197 Q C 1.970 177.958 176.000 -0.020 0.000 0.972 197 Q CA 0.933 56.735 55.803 -0.002 0.000 0.847 197 Q CB -0.848 27.898 28.738 0.013 0.000 0.903 197 Q HN 0.226 nan 8.270 nan 0.000 0.433 198 L N 1.341 122.548 121.223 -0.028 0.000 2.044 198 L HA -0.086 4.254 4.340 0.001 0.000 0.205 198 L C 1.817 178.614 176.870 -0.121 0.000 1.075 198 L CA 1.780 56.570 54.840 -0.084 0.000 0.747 198 L CB -0.261 41.751 42.059 -0.078 0.000 0.903 198 L HN -0.062 nan 8.230 nan 0.000 0.435 199 K N -0.713 119.639 120.400 -0.079 0.000 2.152 199 K HA -0.167 4.154 4.320 0.001 0.000 0.206 199 K C 2.008 178.565 176.600 -0.071 0.000 1.048 199 K CA 1.370 57.611 56.287 -0.077 0.000 0.933 199 K CB -0.206 32.267 32.500 -0.045 0.000 0.721 199 K HN 0.420 nan 8.250 nan 0.000 0.447 200 Q N 0.686 120.454 119.800 -0.054 0.000 2.291 200 Q HA -0.116 4.224 4.340 0.001 0.000 0.205 200 Q C 1.535 177.505 176.000 -0.049 0.000 0.970 200 Q CA 1.227 57.005 55.803 -0.041 0.000 0.876 200 Q CB 0.159 28.881 28.738 -0.025 0.000 0.935 200 Q HN 0.488 nan 8.270 nan 0.000 0.455 201 E N 0.126 120.283 120.200 -0.072 0.000 2.216 201 E HA 0.070 4.420 4.350 0.001 0.000 0.192 201 E C 0.244 176.780 176.600 -0.107 0.000 0.973 201 E CA -0.159 56.196 56.400 -0.075 0.000 0.851 201 E CB 0.296 29.952 29.700 -0.073 0.000 0.804 201 E HN 0.241 nan 8.360 nan 0.000 0.477 202 L N 2.566 123.691 121.223 -0.164 0.000 2.574 202 L HA 0.006 4.346 4.340 0.001 0.000 0.281 202 L C 1.066 177.884 176.870 -0.087 0.000 1.212 202 L CA 0.404 55.143 54.840 -0.169 0.000 1.082 202 L CB -0.106 41.831 42.059 -0.203 0.000 1.362 202 L HN -0.066 nan 8.230 nan 0.000 0.451 203 K N 0.814 121.182 120.400 -0.054 0.000 2.358 203 K HA 0.193 4.513 4.320 0.001 0.000 0.197 203 K C 0.110 176.698 176.600 -0.020 0.000 1.025 203 K CA 0.177 56.446 56.287 -0.031 0.000 1.104 203 K CB 0.649 33.139 32.500 -0.017 0.000 0.855 203 K HN 0.567 nan 8.250 nan 0.000 0.531 204 T N -0.740 113.803 114.554 -0.018 0.000 2.626 204 T HA 0.284 4.635 4.350 0.001 0.000 0.299 204 T C -0.678 174.018 174.700 -0.007 0.000 1.181 204 T CA -0.866 61.230 62.100 -0.006 0.000 1.053 204 T CB 1.815 70.689 68.868 0.010 0.000 1.566 204 T HN 0.128 nan 8.240 nan 0.000 0.486 205 T N -1.544 113.010 114.554 0.001 0.000 2.821 205 T HA 0.780 5.130 4.350 0.001 0.000 0.306 205 T C -1.012 173.695 174.700 0.011 0.000 1.313 205 T CA -0.688 61.412 62.100 -0.000 0.000 1.012 205 T CB 1.250 70.105 68.868 -0.022 0.000 1.298 205 T HN 1.188 nan 8.240 nan 0.000 0.502 206 V N -1.474 118.448 119.914 0.013 0.000 3.074 206 V HA 0.991 5.111 4.120 0.001 0.000 0.314 206 V C -0.231 175.860 176.094 -0.006 0.000 1.117 206 V CA -0.571 61.740 62.300 0.019 0.000 1.014 206 V CB 1.562 33.417 31.823 0.054 0.000 1.057 206 V HN 1.458 nan 8.190 nan 0.000 0.438 207 T N -0.949 113.604 114.554 -0.002 0.000 2.815 207 T HA 0.578 4.928 4.350 0.001 0.000 0.289 207 T C -2.156 172.539 174.700 -0.007 0.000 1.000 207 T CA -1.866 60.221 62.100 -0.022 0.000 0.958 207 T CB 1.685 70.542 68.868 -0.019 0.000 0.944 207 T HN 0.517 nan 8.240 nan 0.000 0.442 208 P HA -0.072 nan 4.420 nan 0.000 0.217 208 P C 1.519 178.831 177.300 0.020 0.000 1.148 208 P CA 1.032 64.133 63.100 0.001 0.000 0.828 208 P CB 0.068 31.722 31.700 -0.078 0.000 0.783 209 T N -1.369 113.184 114.554 -0.001 0.000 2.985 209 T HA -0.052 4.298 4.350 0.001 0.000 0.266 209 T C 0.851 175.559 174.700 0.014 0.000 1.076 209 T CA 0.407 62.511 62.100 0.007 0.000 1.135 209 T CB -0.430 68.434 68.868 -0.006 0.000 0.890 209 T HN 0.073 nan 8.240 nan 0.000 0.480 210 K N 2.138 122.545 120.400 0.012 0.000 2.436 210 K HA 0.223 4.544 4.320 0.001 0.000 0.282 210 K C -0.695 175.916 176.600 0.018 0.000 1.044 210 K CA -0.165 56.130 56.287 0.014 0.000 1.028 210 K CB 0.305 32.812 32.500 0.012 0.000 0.919 210 K HN -0.012 nan 8.250 nan 0.000 0.474 224 Y N 2.282 122.578 120.300 -0.006 0.000 2.409 224 Y HA 0.679 5.229 4.550 0.000 0.000 0.343 224 Y C -1.280 174.623 175.900 0.006 0.000 0.973 224 Y CA -0.756 57.349 58.100 0.009 0.000 1.064 224 Y CB 1.806 40.287 38.460 0.035 0.000 1.207 224 Y HN 0.144 nan 8.280 nan 0.000 0.452 225 E N 4.922 124.683 120.200 -0.732 0.000 2.304 225 E HA 0.257 4.607 4.350 0.001 0.000 0.277 225 E C -2.233 173.938 176.600 -0.715 0.000 0.898 225 E CA -0.528 55.531 56.400 -0.569 0.000 0.764 225 E CB 1.778 31.317 29.700 -0.267 0.000 1.216 225 E HN 0.771 nan 8.360 nan 0.000 0.419 226 N N 2.559 120.942 118.700 -0.528 0.000 2.558 226 N HA 0.301 5.041 4.740 0.001 0.000 0.285 226 N C -1.669 173.725 175.510 -0.193 0.000 1.112 226 N CA -0.144 52.699 53.050 -0.346 0.000 0.857 226 N CB 1.369 39.670 38.487 -0.310 0.000 1.376 226 N HN 0.517 nan 8.380 nan 0.000 0.526 227 T N -0.127 114.342 114.554 -0.141 0.000 2.907 227 T HA 0.493 4.844 4.350 0.001 0.000 0.290 227 T C -0.093 174.570 174.700 -0.061 0.000 1.066 227 T CA -0.901 61.135 62.100 -0.107 0.000 1.012 227 T CB 0.716 69.521 68.868 -0.106 0.000 1.184 227 T HN 0.238 nan 8.240 nan 0.000 0.522 228 L N 2.914 124.112 121.223 -0.043 0.000 2.485 228 L HA 0.182 4.522 4.340 0.001 0.000 0.279 228 L C 1.586 178.488 176.870 0.054 0.000 1.124 228 L CA -0.780 54.071 54.840 0.018 0.000 0.888 228 L CB 0.358 42.458 42.059 0.067 0.000 1.217 228 L HN 0.684 nan 8.230 nan 0.000 0.464 229 K N 1.849 122.266 120.400 0.028 0.000 2.127 229 K HA -0.178 4.142 4.320 0.001 0.000 0.208 229 K C 1.107 177.733 176.600 0.044 0.000 1.047 229 K CA 1.469 57.772 56.287 0.025 0.000 0.927 229 K CB -0.082 32.425 32.500 0.012 0.000 0.716 229 K HN 0.587 nan 8.250 nan 0.000 0.450 230 N N -0.313 118.421 118.700 0.056 0.000 2.280 230 N HA -0.007 4.733 4.740 0.001 0.000 0.192 230 N C -0.034 175.500 175.510 0.040 0.000 1.109 230 N CA -0.205 52.866 53.050 0.035 0.000 0.855 230 N CB 0.174 38.672 38.487 0.017 0.000 0.974 230 N HN 0.031 nan 8.380 nan 0.000 0.482 231 F N 2.555 122.476 119.950 -0.049 0.000 2.607 231 F HA 0.047 4.575 4.527 0.000 0.000 0.374 231 F C 0.520 176.258 175.800 -0.102 0.000 1.104 231 F CA 0.517 58.474 58.000 -0.073 0.000 1.296 231 F CB 0.484 39.444 39.000 -0.067 0.000 1.085 231 F HN -0.234 nan 8.300 nan 0.000 0.584 232 K N 6.814 126.804 120.400 -0.683 0.000 2.557 232 K HA 0.370 4.690 4.320 0.001 0.000 0.257 232 K C -1.495 174.700 176.600 -0.675 0.000 0.933 232 K CA -0.695 55.341 56.287 -0.419 0.000 0.820 232 K CB 1.208 33.571 32.500 -0.228 0.000 1.330 232 K HN 0.630 nan 8.250 nan 0.000 0.432 233 I N 5.007 125.284 120.570 -0.489 0.000 2.436 233 I HA 0.154 4.324 4.170 0.001 0.000 0.289 233 I C 1.139 177.088 176.117 -0.280 0.000 1.083 233 I CA 0.093 61.047 61.300 -0.576 0.000 1.372 233 I CB 0.683 38.427 38.000 -0.427 0.000 1.408 233 I HN 0.571 nan 8.210 nan 0.000 0.516 234 R N 4.616 124.978 120.500 -0.229 0.000 2.394 234 R HA 0.170 4.510 4.340 0.001 0.000 0.220 234 R C -0.267 176.079 176.300 0.077 0.000 0.887 234 R CA 0.124 56.187 56.100 -0.062 0.000 1.034 234 R CB 0.686 30.942 30.300 -0.075 0.000 1.179 234 R HN 0.708 nan 8.270 nan 0.000 0.561 235 E N 0.461 120.771 120.200 0.183 0.000 2.413 235 E HA 0.260 4.610 4.350 0.001 0.000 0.277 235 E C -1.453 175.481 176.600 0.557 0.000 0.958 235 E CA -0.958 55.679 56.400 0.396 0.000 0.779 235 E CB 1.827 31.815 29.700 0.480 0.000 1.278 235 E HN -0.152 nan 8.360 nan 0.000 0.456 236 Q N 1.508 121.582 119.800 0.457 0.000 2.356 236 Q HA 0.188 4.529 4.340 0.001 0.000 0.270 236 Q C -1.326 174.503 176.000 -0.284 0.000 1.058 236 Q CA -0.790 55.157 55.803 0.239 0.000 0.802 236 Q CB 2.303 31.276 28.738 0.391 0.000 1.303 236 Q HN 0.621 nan 8.270 nan 0.000 0.444 237 Q N 3.653 122.979 119.800 -0.791 0.000 2.314 237 Q HA 0.247 4.588 4.340 0.001 0.000 0.257 237 Q C -0.941 174.946 176.000 -0.189 0.000 0.975 237 Q CA -0.076 55.163 55.803 -0.939 0.000 0.933 237 Q CB 0.316 28.438 28.738 -1.027 0.000 1.195 237 Q HN 0.748 nan 8.270 nan 0.000 0.426 238 F N 1.658 121.553 119.950 -0.091 0.000 2.975 238 F HA 0.354 4.882 4.527 0.000 0.000 0.366 238 F C -0.401 175.335 175.800 -0.107 0.000 1.071 238 F CA -0.560 57.390 58.000 -0.083 0.000 1.102 238 F CB 0.399 39.363 39.000 -0.060 0.000 1.176 238 F HN 0.473 nan 8.300 nan 0.000 0.545 239 D N 0.165 120.467 120.400 -0.164 0.000 2.865 239 D HA 0.256 4.896 4.640 0.001 0.000 0.347 239 D C -0.731 175.398 176.300 -0.286 0.000 1.498 239 D CA -0.101 53.840 54.000 -0.100 0.000 0.787 239 D CB -0.703 40.132 40.800 0.058 0.000 1.190 239 D HN 0.502 nan 8.370 nan 0.000 0.445 240 N N -1.727 116.758 118.700 -0.358 0.000 3.116 240 N HA 0.308 5.048 4.740 0.001 0.000 0.244 240 N C -0.677 174.629 175.510 -0.341 0.000 1.485 240 N CA -0.631 52.078 53.050 -0.569 0.000 0.884 240 N CB 0.735 38.398 38.487 -1.373 0.000 1.415 240 N HN -0.140 nan 8.380 nan 0.000 0.524 241 S N -1.965 113.553 115.700 -0.303 0.000 2.537 241 S HA 0.197 4.667 4.470 0.001 0.000 0.246 241 S C -0.684 174.024 174.600 0.181 0.000 1.036 241 S CA -0.725 57.471 58.200 -0.007 0.000 1.041 241 S CB -0.617 62.603 63.200 0.034 0.000 0.799 241 S HN 0.567 nan 8.310 nan 0.000 0.456 242 W N 2.174 123.565 121.300 0.150 0.000 3.043 242 W HA 0.262 4.922 4.660 0.001 0.000 0.435 242 W C 1.752 178.408 176.519 0.229 0.000 0.851 242 W CA -2.130 55.305 57.345 0.150 0.000 2.031 242 W CB -2.008 27.531 29.460 0.132 0.000 0.919 242 W HN 0.604 nan 8.180 nan 0.000 0.796 243 C N -0.636 118.822 119.300 0.263 0.000 2.413 243 C HA -0.066 4.394 4.460 0.001 0.000 0.276 243 C C 2.731 177.712 174.990 -0.015 0.000 1.248 243 C CA 1.438 60.475 59.018 0.031 0.000 1.742 243 C CB -1.291 26.337 27.740 -0.186 0.000 2.017 243 C HN 0.371 nan 8.230 nan 0.000 0.481 244 A N 1.697 124.506 122.820 -0.018 0.000 1.898 244 A HA 0.232 4.552 4.320 0.001 0.000 0.216 244 A C 2.549 180.119 177.584 -0.023 0.000 1.181 244 A CA 2.057 54.059 52.037 -0.058 0.000 0.620 244 A CB -1.587 17.362 19.000 -0.084 0.000 0.819 244 A HN 0.729 nan 8.150 nan 0.000 0.442 245 G N -1.283 107.508 108.800 -0.014 0.000 2.418 245 G HA2 -0.183 3.777 3.960 0.001 0.000 0.217 245 G HA3 -0.183 3.777 3.960 0.001 0.000 0.217 245 G C 1.373 176.243 174.900 -0.050 0.000 1.158 245 G CA 1.080 46.107 45.100 -0.122 0.000 0.771 245 G HN 0.407 nan 8.290 nan 0.000 0.545 246 F N 1.701 121.697 119.950 0.077 0.000 2.171 246 F HA -0.056 4.471 4.527 0.000 0.000 0.300 246 F C 3.107 179.055 175.800 0.248 0.000 1.090 246 F CA 1.571 59.676 58.000 0.175 0.000 1.293 246 F CB -0.120 38.957 39.000 0.128 0.000 1.013 246 F HN 0.089 nan 8.300 nan 0.000 0.486 247 S N -0.198 115.669 115.700 0.279 0.000 2.368 247 S HA -0.171 4.300 4.470 0.001 0.000 0.224 247 S C 2.072 176.789 174.600 0.196 0.000 1.029 247 S CA 1.191 59.542 58.200 0.253 0.000 0.988 247 S CB -0.309 62.910 63.200 0.031 0.000 0.838 247 S HN 0.296 nan 8.310 nan 0.000 0.462 248 M N 1.113 120.760 119.600 0.078 0.000 2.175 248 M HA -0.060 4.420 4.480 0.001 0.000 0.264 248 M C 2.540 178.830 176.300 -0.016 0.000 1.063 248 M CA 1.293 56.604 55.300 0.018 0.000 1.119 248 M CB -0.627 31.955 32.600 -0.029 0.000 1.377 248 M HN 0.403 nan 8.290 nan 0.000 0.415 249 A N 0.574 123.398 122.820 0.006 0.000 1.877 249 A HA -0.089 4.231 4.320 0.001 0.000 0.216 249 A C 2.360 179.945 177.584 0.002 0.000 1.186 249 A CA 2.054 54.098 52.037 0.013 0.000 0.620 249 A CB -0.909 18.105 19.000 0.023 0.000 0.822 249 A HN 0.498 nan 8.150 nan 0.000 0.443 250 A N -0.546 122.298 122.820 0.040 0.000 1.930 250 A HA 0.042 4.362 4.320 0.001 0.000 0.217 250 A C 2.184 179.714 177.584 -0.090 0.000 1.175 250 A CA 1.386 53.332 52.037 -0.152 0.000 0.627 250 A CB -0.515 18.365 19.000 -0.200 0.000 0.815 250 A HN 0.465 nan 8.150 nan 0.000 0.443 251 L N -0.775 120.509 121.223 0.101 0.000 2.027 251 L HA -0.134 4.206 4.340 0.001 0.000 0.206 251 L C 2.566 179.431 176.870 -0.008 0.000 1.074 251 L CA 0.998 55.911 54.840 0.123 0.000 0.745 251 L CB -0.526 41.601 42.059 0.112 0.000 0.898 251 L HN 0.355 nan 8.230 nan 0.000 0.433 252 L N -0.276 120.873 121.223 -0.123 0.000 2.046 252 L HA -0.220 4.120 4.340 0.001 0.000 0.208 252 L C 2.337 179.126 176.870 -0.137 0.000 1.077 252 L CA 1.006 55.679 54.840 -0.278 0.000 0.747 252 L CB -0.604 40.986 42.059 -0.782 0.000 0.896 252 L HN 0.359 nan 8.230 nan 0.000 0.432 253 N N -0.017 118.655 118.700 -0.047 0.000 2.289 253 N HA -0.127 4.614 4.740 0.001 0.000 0.184 253 N C 1.759 177.264 175.510 -0.008 0.000 1.016 253 N CA 1.415 54.496 53.050 0.052 0.000 0.872 253 N CB -0.074 38.415 38.487 0.002 0.000 0.973 253 N HN 0.340 nan 8.380 nan 0.000 0.433 254 A N 0.231 123.031 122.820 -0.034 0.000 1.874 254 A HA -0.061 4.259 4.320 0.001 0.000 0.214 254 A C 2.246 179.848 177.584 0.029 0.000 1.189 254 A CA 1.827 53.870 52.037 0.009 0.000 0.615 254 A CB -0.927 18.138 19.000 0.109 0.000 0.830 254 A HN 0.439 nan 8.150 nan 0.000 0.443 255 T N -2.742 111.825 114.554 0.020 0.000 3.085 255 T HA 0.084 4.435 4.350 0.001 0.000 0.263 255 T C 1.135 175.843 174.700 0.013 0.000 1.127 255 T CA 1.111 63.217 62.100 0.011 0.000 1.103 255 T CB -0.085 68.778 68.868 -0.008 0.000 0.921 255 T HN 0.401 nan 8.240 nan 0.000 0.510 256 K N 1.257 121.673 120.400 0.027 0.000 2.413 256 K HA 0.215 4.535 4.320 0.001 0.000 0.204 256 K C 0.295 176.926 176.600 0.052 0.000 1.041 256 K CA -0.227 56.091 56.287 0.052 0.000 1.082 256 K CB 0.015 32.578 32.500 0.106 0.000 0.871 256 K HN 0.505 nan 8.250 nan 0.000 0.535 257 N N 2.029 120.750 118.700 0.035 0.000 2.686 257 N HA -0.202 4.539 4.740 0.001 0.000 0.261 257 N C -0.910 174.616 175.510 0.027 0.000 1.001 257 N CA 0.799 53.862 53.050 0.023 0.000 0.764 257 N CB -0.241 38.255 38.487 0.016 0.000 0.898 257 N HN 0.245 nan 8.380 nan 0.000 0.544 258 T N -0.626 113.955 114.554 0.044 0.000 2.778 258 T HA 0.424 4.774 4.350 0.001 0.000 0.293 258 T C -0.691 174.028 174.700 0.032 0.000 1.144 258 T CA 0.135 62.258 62.100 0.038 0.000 1.010 258 T CB 1.295 70.200 68.868 0.061 0.000 1.325 258 T HN 0.332 nan 8.240 nan 0.000 0.515 259 D N -0.885 119.518 120.400 0.005 0.000 2.594 259 D HA 0.120 4.760 4.640 0.001 0.000 0.256 259 D C 1.295 177.582 176.300 -0.022 0.000 1.393 259 D CA 0.364 54.360 54.000 -0.006 0.000 0.797 259 D CB -0.312 40.473 40.800 -0.025 0.000 1.110 259 D HN 0.530 nan 8.370 nan 0.000 0.495 260 T N -3.199 111.312 114.554 -0.071 0.000 3.067 260 T HA 0.067 4.417 4.350 0.001 0.000 0.261 260 T C 0.406 174.989 174.700 -0.195 0.000 1.110 260 T CA 0.212 62.211 62.100 -0.168 0.000 1.113 260 T CB -0.578 68.122 68.868 -0.280 0.000 0.917 260 T HN 0.036 nan 8.240 nan 0.000 0.499 261 Y N 3.536 123.825 120.300 -0.018 0.000 2.309 261 Y HA 0.486 5.036 4.550 0.000 0.000 0.327 261 Y C 0.605 176.477 175.900 -0.046 0.000 1.172 261 Y CA -0.931 57.160 58.100 -0.015 0.000 1.280 261 Y CB 0.699 39.163 38.460 0.007 0.000 1.234 261 Y HN 0.494 nan 8.280 nan 0.000 0.512 262 N N -0.671 118.079 118.700 0.083 0.000 2.591 262 N HA 0.545 5.285 4.740 0.001 0.000 0.263 262 N C -0.227 175.182 175.510 -0.169 0.000 1.308 262 N CA -0.474 52.554 53.050 -0.036 0.000 0.837 262 N CB 1.067 39.541 38.487 -0.022 0.000 1.548 262 N HN 0.502 nan 8.380 nan 0.000 0.493 263 A N -0.075 122.517 122.820 -0.380 0.000 1.883 263 A HA -0.300 4.020 4.320 0.001 0.000 0.217 263 A C 1.874 179.099 177.584 -0.599 0.000 1.186 263 A CA 1.917 53.608 52.037 -0.576 0.000 0.624 263 A CB -1.434 16.842 19.000 -1.206 0.000 0.822 263 A HN 0.899 nan 8.150 nan 0.000 0.444 264 H N 0.324 119.093 119.070 -0.501 0.000 2.290 264 H HA -0.156 4.401 4.556 0.001 0.000 0.298 264 H C 1.390 176.439 175.328 -0.464 0.000 1.087 264 H CA 2.090 57.784 56.048 -0.589 0.000 1.291 264 H CB -0.295 29.370 29.762 -0.161 0.000 1.369 264 H HN 0.407 nan 8.280 nan 0.000 0.492 265 D N 0.606 120.933 120.400 -0.122 0.000 2.144 265 D HA -0.111 4.529 4.640 0.001 0.000 0.199 265 D C 2.570 178.720 176.300 -0.249 0.000 0.984 265 D CA 0.934 54.870 54.000 -0.106 0.000 0.834 265 D CB -0.243 40.559 40.800 0.003 0.000 0.955 265 D HN 0.483 nan 8.370 nan 0.000 0.465 266 I N 0.380 120.743 120.570 -0.344 0.000 2.202 266 I HA -0.230 3.941 4.170 0.001 0.000 0.242 266 I C 2.245 178.030 176.117 -0.554 0.000 1.091 266 I CA 0.734 61.728 61.300 -0.510 0.000 1.368 266 I CB -0.165 37.459 38.000 -0.627 0.000 1.058 266 I HN -0.033 nan 8.210 nan 0.000 0.410 267 M N 0.145 119.350 119.600 -0.658 0.000 2.159 267 M HA -0.188 4.293 4.480 0.001 0.000 0.263 267 M C 2.356 178.399 176.300 -0.429 0.000 1.063 267 M CA 1.560 56.488 55.300 -0.621 0.000 1.110 267 M CB -1.436 30.509 32.600 -1.093 0.000 1.374 267 M HN 0.146 nan 8.290 nan 0.000 0.411 268 R N 0.529 120.727 120.500 -0.504 0.000 2.096 268 R HA -0.065 4.275 4.340 0.001 0.000 0.235 268 R C 1.882 178.074 176.300 -0.180 0.000 1.127 268 R CA 2.046 57.955 56.100 -0.318 0.000 0.968 268 R CB -1.188 28.917 30.300 -0.325 0.000 0.861 268 R HN 0.317 nan 8.270 nan 0.000 0.440 269 T N 0.894 115.335 114.554 -0.189 0.000 2.867 269 T HA -0.008 4.342 4.350 0.001 0.000 0.268 269 T C 1.584 176.192 174.700 -0.153 0.000 1.057 269 T CA 1.410 63.450 62.100 -0.101 0.000 1.136 269 T CB -0.075 68.799 68.868 0.009 0.000 0.874 269 T HN 0.166 nan 8.240 nan 0.000 0.466 270 L N -0.979 120.064 121.223 -0.300 0.000 2.240 270 L HA 0.090 4.430 4.340 0.001 0.000 0.211 270 L C 0.125 176.595 176.870 -0.665 0.000 1.106 270 L CA 0.877 55.412 54.840 -0.508 0.000 0.793 270 L CB -0.015 41.607 42.059 -0.727 0.000 0.927 270 L HN 0.267 nan 8.230 nan 0.000 0.446 271 Y N -0.676 119.567 120.300 -0.095 0.000 2.584 271 Y HA 0.266 4.816 4.550 0.001 0.000 0.358 271 Y C -1.683 174.181 175.900 -0.061 0.000 1.028 271 Y CA -2.510 55.554 58.100 -0.060 0.000 1.148 271 Y CB 0.082 38.506 38.460 -0.060 0.000 1.126 271 Y HN -0.083 nan 8.280 nan 0.000 0.658 272 P HA -0.107 nan 4.420 nan 0.000 0.230 272 P C 0.231 177.560 177.300 0.048 0.000 1.158 272 P CA 1.291 64.408 63.100 0.028 0.000 0.769 272 P CB 0.538 32.244 31.700 0.009 0.000 0.807 273 E N -0.769 119.476 120.200 0.075 0.000 2.481 273 E HA 0.136 4.487 4.350 0.001 0.000 0.198 273 E C 0.049 176.686 176.600 0.061 0.000 1.027 273 E CA -0.217 56.221 56.400 0.063 0.000 0.900 273 E CB 0.647 30.384 29.700 0.062 0.000 0.993 273 E HN 0.058 nan 8.360 nan 0.000 0.482 274 V N 2.219 122.175 119.914 0.070 0.000 2.567 274 V HA 0.100 4.220 4.120 0.001 0.000 0.289 274 V C 0.530 176.652 176.094 0.046 0.000 1.049 274 V CA -0.753 61.572 62.300 0.042 0.000 0.969 274 V CB 1.570 33.397 31.823 0.008 0.000 0.995 274 V HN 0.209 nan 8.190 nan 0.000 0.471 275 S N 3.236 118.962 115.700 0.044 0.000 2.579 275 S HA 0.148 4.618 4.470 0.001 0.000 0.275 275 S C 0.845 175.493 174.600 0.080 0.000 1.345 275 S CA -0.410 57.824 58.200 0.056 0.000 1.031 275 S CB 0.734 63.962 63.200 0.047 0.000 0.892 275 S HN 0.697 nan 8.310 nan 0.000 0.529 276 E N 0.472 120.732 120.200 0.100 0.000 2.396 276 E HA -0.169 4.182 4.350 0.001 0.000 0.200 276 E C 1.614 178.300 176.600 0.143 0.000 1.023 276 E CA 0.928 57.417 56.400 0.149 0.000 0.857 276 E CB -0.128 29.663 29.700 0.152 0.000 0.775 276 E HN 0.865 nan 8.360 nan 0.000 0.525 277 Q N -0.219 119.639 119.800 0.096 0.000 2.391 277 Q HA -0.036 4.304 4.340 0.001 0.000 0.211 277 Q C 0.776 176.815 176.000 0.065 0.000 0.908 277 Q CA 0.377 56.225 55.803 0.076 0.000 0.920 277 Q CB 0.579 29.348 28.738 0.052 0.000 1.056 277 Q HN 0.067 nan 8.270 nan 0.000 0.523 278 D N 0.030 120.469 120.400 0.065 0.000 2.369 278 D HA -0.016 4.625 4.640 0.001 0.000 0.211 278 D C 1.466 177.807 176.300 0.069 0.000 1.077 278 D CA 0.014 54.040 54.000 0.044 0.000 0.842 278 D CB 0.706 41.516 40.800 0.017 0.000 0.947 278 D HN 0.205 nan 8.370 nan 0.000 0.509 279 L N 1.635 122.943 121.223 0.141 0.000 2.056 279 L HA -0.012 4.329 4.340 0.001 0.000 0.207 279 L C -0.995 176.173 176.870 0.497 0.000 1.078 279 L CA 1.888 56.877 54.840 0.247 0.000 0.749 279 L CB -1.093 41.129 42.059 0.271 0.000 0.901 279 L HN -0.100 nan 8.230 nan 0.000 0.433 280 P HA -0.090 nan 4.420 nan 0.000 0.223 280 P C 0.793 178.055 177.300 -0.063 0.000 1.144 280 P CA 1.215 64.265 63.100 -0.084 0.000 0.783 280 P CB -0.060 31.515 31.700 -0.207 0.000 0.771 281 N N -1.924 116.804 118.700 0.048 0.000 2.405 281 N HA -0.005 4.735 4.740 0.001 0.000 0.175 281 N C 0.228 175.762 175.510 0.039 0.000 1.051 281 N CA 0.240 53.301 53.050 0.018 0.000 0.899 281 N CB -0.436 38.053 38.487 0.002 0.000 1.000 281 N HN 0.134 nan 8.380 nan 0.000 0.451 282 C N 2.099 121.427 119.300 0.047 0.000 2.653 282 C HA 0.506 4.966 4.460 0.001 0.000 0.421 282 C C 1.131 176.149 174.990 0.047 0.000 1.334 282 C CA -0.832 58.134 59.018 -0.088 0.000 1.885 282 C CB -0.392 27.079 27.740 -0.449 0.000 2.645 282 C HN 0.331 nan 8.230 nan 0.000 0.601 283 A N 3.715 126.519 122.820 -0.028 0.000 2.269 283 A HA 0.794 5.114 4.320 0.001 0.000 0.327 283 A C 0.117 177.538 177.584 -0.273 0.000 1.112 283 A CA -0.263 51.695 52.037 -0.133 0.000 0.865 283 A CB 0.556 19.398 19.000 -0.263 0.000 1.227 283 A HN 0.808 nan 8.150 nan 0.000 0.498 284 T N 0.352 114.641 114.554 -0.441 0.000 2.925 284 T HA 0.706 5.057 4.350 0.001 0.000 0.285 284 T C -1.182 173.050 174.700 -0.780 0.000 1.021 284 T CA 0.140 62.002 62.100 -0.397 0.000 1.042 284 T CB 0.548 69.300 68.868 -0.193 0.000 1.037 284 T HN 0.335 nan 8.240 nan 0.000 0.481 285 F N 0.637 120.605 119.950 0.030 0.000 2.588 285 F HA 0.419 4.947 4.527 0.001 0.000 0.310 285 F C -1.890 173.913 175.800 0.006 0.000 1.082 285 F CA -2.334 55.671 58.000 0.009 0.000 0.929 285 F CB 1.523 40.540 39.000 0.028 0.000 1.254 285 F HN 0.323 nan 8.300 nan 0.000 0.455 286 P HA -0.302 nan 4.420 nan 0.000 0.221 286 P C 1.169 178.530 177.300 0.102 0.000 1.160 286 P CA 2.701 65.874 63.100 0.121 0.000 0.933 286 P CB -0.044 31.699 31.700 0.072 0.000 0.793 287 N N -0.784 117.975 118.700 0.099 0.000 2.094 287 N HA -0.245 4.495 4.740 0.001 0.000 0.191 287 N C 1.678 177.231 175.510 0.071 0.000 1.023 287 N CA 1.766 54.858 53.050 0.070 0.000 0.857 287 N CB -1.248 37.272 38.487 0.055 0.000 1.013 287 N HN 0.291 nan 8.380 nan 0.000 0.426 288 Q N -0.444 119.408 119.800 0.087 0.000 2.079 288 Q HA -0.006 4.335 4.340 0.001 0.000 0.200 288 Q C 2.208 178.243 176.000 0.057 0.000 0.974 288 Q CA 1.583 57.412 55.803 0.044 0.000 0.840 288 Q CB -0.171 28.568 28.738 0.002 0.000 0.898 288 Q HN 0.518 nan 8.270 nan 0.000 0.430 289 M N 0.198 119.834 119.600 0.060 0.000 2.065 289 M HA -0.208 4.273 4.480 0.001 0.000 0.259 289 M C 2.193 178.563 176.300 0.117 0.000 1.069 289 M CA 1.579 56.926 55.300 0.077 0.000 1.110 289 M CB -0.391 32.246 32.600 0.061 0.000 1.328 289 M HN 0.205 nan 8.290 nan 0.000 0.405 290 I N -0.109 120.519 120.570 0.096 0.000 2.163 290 I HA -0.317 3.853 4.170 0.001 0.000 0.243 290 I C 2.563 178.723 176.117 0.071 0.000 1.085 290 I CA 1.626 62.979 61.300 0.087 0.000 1.347 290 I CB -0.554 37.487 38.000 0.068 0.000 1.044 290 I HN 0.421 nan 8.210 nan 0.000 0.408 291 E N 0.317 120.556 120.200 0.065 0.000 2.085 291 E HA -0.301 4.050 4.350 0.001 0.000 0.194 291 E C 2.258 178.891 176.600 0.054 0.000 0.994 291 E CA 1.513 57.941 56.400 0.047 0.000 0.801 291 E CB -0.182 29.542 29.700 0.039 0.000 0.743 291 E HN 0.502 nan 8.360 nan 0.000 0.453 292 Y N 0.413 120.697 120.300 -0.027 0.000 2.163 292 Y HA -0.048 4.502 4.550 0.001 0.000 0.288 292 Y C 2.164 178.053 175.900 -0.020 0.000 1.136 292 Y CA 1.992 60.071 58.100 -0.035 0.000 1.147 292 Y CB -0.754 37.671 38.460 -0.058 0.000 0.987 292 Y HN 0.084 nan 8.280 nan 0.000 0.509 293 G N 0.261 109.061 108.800 0.001 0.000 2.442 293 G HA2 -0.357 3.604 3.960 0.001 0.000 0.219 293 G HA3 -0.357 3.604 3.960 0.001 0.000 0.219 293 G C 1.738 176.569 174.900 -0.114 0.000 1.141 293 G CA 1.085 46.139 45.100 -0.076 0.000 0.763 293 G HN 0.428 nan 8.290 nan 0.000 0.554 294 K N 0.969 121.331 120.400 -0.063 0.000 2.032 294 K HA -0.166 4.155 4.320 0.001 0.000 0.209 294 K C 2.787 179.332 176.600 -0.093 0.000 1.048 294 K CA 1.864 58.123 56.287 -0.046 0.000 0.927 294 K CB -0.292 32.197 32.500 -0.018 0.000 0.712 294 K HN 0.432 nan 8.250 nan 0.000 0.441 295 S N 0.003 115.609 115.700 -0.156 0.000 2.507 295 S HA -0.077 4.394 4.470 0.001 0.000 0.235 295 S C 1.238 175.723 174.600 -0.193 0.000 0.988 295 S CA 0.640 58.739 58.200 -0.169 0.000 0.944 295 S CB 0.078 63.158 63.200 -0.200 0.000 0.762 295 S HN 0.302 nan 8.310 nan 0.000 0.526 296 Q N 0.554 120.210 119.800 -0.240 0.000 2.188 296 Q HA 0.337 4.677 4.340 0.001 0.000 0.212 296 Q C 1.057 177.012 176.000 -0.075 0.000 0.846 296 Q CA 0.446 56.151 55.803 -0.163 0.000 0.989 296 Q CB 0.245 28.825 28.738 -0.263 0.000 1.114 296 Q HN 0.733 nan 8.270 nan 0.000 0.488 297 G N 1.889 110.653 108.800 -0.060 0.000 2.182 297 G HA2 -0.229 3.732 3.960 0.001 0.000 0.248 297 G HA3 -0.229 3.732 3.960 0.001 0.000 0.248 297 G C -0.156 174.739 174.900 -0.009 0.000 1.042 297 G CA -0.112 44.974 45.100 -0.022 0.000 0.775 297 G HN 0.069 nan 8.290 nan 0.000 0.501 298 R N -0.124 120.370 120.500 -0.010 0.000 2.575 298 R HA 0.395 4.736 4.340 0.001 0.000 0.293 298 R C -1.503 174.840 176.300 0.070 0.000 0.983 298 R CA -0.950 55.164 56.100 0.023 0.000 0.887 298 R CB 1.645 31.943 30.300 -0.003 0.000 1.184 298 R HN 0.200 nan 8.270 nan 0.000 0.445 299 D N 3.458 123.937 120.400 0.132 0.000 2.468 299 D HA 0.162 4.803 4.640 0.001 0.000 0.218 299 D C 0.012 176.521 176.300 0.349 0.000 1.155 299 D CA -0.374 53.758 54.000 0.221 0.000 0.924 299 D CB 0.365 41.305 40.800 0.234 0.000 1.029 299 D HN 0.272 nan 8.370 nan 0.000 0.515 300 I N 3.853 124.589 120.570 0.277 0.000 2.441 300 I HA 0.175 4.346 4.170 0.001 0.000 0.287 300 I C 0.688 177.056 176.117 0.419 0.000 1.049 300 I CA -0.116 61.360 61.300 0.294 0.000 1.381 300 I CB 0.336 38.437 38.000 0.170 0.000 1.409 300 I HN 0.379 nan 8.210 nan 0.000 0.523 301 H N 4.912 124.111 119.070 0.215 0.000 2.622 301 H HA 0.259 4.816 4.556 0.001 0.000 0.363 301 H C -1.201 174.257 175.328 0.216 0.000 1.151 301 H CA -0.706 55.467 56.048 0.209 0.000 1.184 301 H CB 2.785 32.674 29.762 0.211 0.000 1.643 301 H HN 0.492 nan 8.280 nan 0.000 0.531 302 Y N 2.239 122.653 120.300 0.190 0.000 2.316 302 Y HA 0.154 4.705 4.550 0.001 0.000 0.331 302 Y C -0.463 175.533 175.900 0.160 0.000 1.083 302 Y CA -0.395 57.797 58.100 0.153 0.000 1.206 302 Y CB 0.969 39.503 38.460 0.122 0.000 1.195 302 Y HN 0.549 nan 8.280 nan 0.000 0.497 303 Q N 5.669 125.091 119.800 -0.630 0.000 2.292 303 Q HA 0.239 4.580 4.340 0.001 0.000 0.270 303 Q C -1.194 174.369 176.000 -0.728 0.000 1.024 303 Q CA -0.772 54.734 55.803 -0.494 0.000 0.768 303 Q CB 1.363 30.007 28.738 -0.157 0.000 1.250 303 Q HN 0.880 nan 8.270 nan 0.000 0.447 304 E N 2.638 122.511 120.200 -0.546 0.000 2.398 304 E HA 0.403 4.754 4.350 0.001 0.000 0.263 304 E C 0.226 176.741 176.600 -0.142 0.000 1.046 304 E CA 1.064 57.312 56.400 -0.252 0.000 0.908 304 E CB 0.467 30.157 29.700 -0.018 0.000 0.963 304 E HN 0.902 nan 8.360 nan 0.000 0.431 305 G N 1.093 109.861 108.800 -0.054 0.000 2.741 305 G HA2 -0.245 3.715 3.960 0.001 0.000 0.222 305 G HA3 -0.245 3.715 3.960 0.001 0.000 0.222 305 G C -0.734 173.955 174.900 -0.353 0.000 1.364 305 G CA -0.379 44.643 45.100 -0.129 0.000 0.866 305 G HN 0.609 nan 8.290 nan 0.000 0.555 306 V N 3.474 123.098 119.914 -0.485 0.000 2.406 306 V HA 0.477 4.598 4.120 0.001 0.000 0.272 306 V C -0.917 174.842 176.094 -0.559 0.000 1.043 306 V CA -0.504 61.262 62.300 -0.890 0.000 0.915 306 V CB 1.185 32.525 31.823 -0.805 0.000 0.988 306 V HN 0.794 nan 8.190 nan 0.000 0.466 307 P HA 0.128 nan 4.420 nan 0.000 0.269 307 P C -0.000 177.175 177.300 -0.208 0.000 1.209 307 P CA -0.063 62.883 63.100 -0.257 0.000 0.776 307 P CB 0.778 32.386 31.700 -0.153 0.000 0.876 308 S N 2.058 117.692 115.700 -0.111 0.000 2.584 308 S HA -0.042 4.428 4.470 0.001 0.000 0.270 308 S C 1.205 175.815 174.600 0.017 0.000 1.346 308 S CA -0.342 57.834 58.200 -0.040 0.000 1.018 308 S CB 0.063 63.257 63.200 -0.012 0.000 0.899 308 S HN 0.540 nan 8.310 nan 0.000 0.542 309 Y N 2.273 122.544 120.300 -0.048 0.000 2.114 309 Y HA -0.250 4.301 4.550 0.000 0.000 0.282 309 Y C 2.454 178.355 175.900 0.001 0.000 1.165 309 Y CA 2.408 60.501 58.100 -0.012 0.000 1.148 309 Y CB -0.566 37.893 38.460 -0.001 0.000 0.972 309 Y HN 0.888 nan 8.280 nan 0.000 0.504 310 N N -0.036 118.707 118.700 0.071 0.000 2.188 310 N HA -0.257 4.484 4.740 0.001 0.000 0.184 310 N C 2.021 177.486 175.510 -0.075 0.000 1.018 310 N CA 1.358 54.393 53.050 -0.025 0.000 0.858 310 N CB -0.224 38.294 38.487 0.053 0.000 0.989 310 N HN 0.650 nan 8.380 nan 0.000 0.426 311 Q N 0.598 120.368 119.800 -0.051 0.000 2.079 311 Q HA -0.086 4.255 4.340 0.001 0.000 0.200 311 Q C 2.005 177.959 176.000 -0.076 0.000 0.974 311 Q CA 1.188 56.962 55.803 -0.049 0.000 0.840 311 Q CB 0.173 28.889 28.738 -0.037 0.000 0.898 311 Q HN 0.151 nan 8.270 nan 0.000 0.430 312 V N 1.290 121.141 119.914 -0.105 0.000 2.407 312 V HA -0.253 3.868 4.120 0.001 0.000 0.248 312 V C 1.846 177.852 176.094 -0.147 0.000 1.055 312 V CA 2.157 64.390 62.300 -0.111 0.000 1.049 312 V CB -0.679 31.084 31.823 -0.100 0.000 0.662 312 V HN 0.507 nan 8.190 nan 0.000 0.455 313 D N -0.909 119.358 120.400 -0.222 0.000 2.097 313 D HA -0.192 4.448 4.640 0.001 0.000 0.195 313 D C 2.300 178.548 176.300 -0.086 0.000 0.989 313 D CA 1.235 55.124 54.000 -0.185 0.000 0.827 313 D CB 0.038 40.695 40.800 -0.238 0.000 0.966 313 D HN 0.321 nan 8.370 nan 0.000 0.456 314 Q N -0.079 119.678 119.800 -0.071 0.000 2.016 314 Q HA -0.062 4.278 4.340 0.001 0.000 0.200 314 Q C 2.654 178.632 176.000 -0.038 0.000 0.978 314 Q CA 0.703 56.484 55.803 -0.037 0.000 0.833 314 Q CB -0.503 28.222 28.738 -0.022 0.000 0.895 314 Q HN 0.430 nan 8.270 nan 0.000 0.427 315 L N 0.454 121.645 121.223 -0.053 0.000 2.079 315 L HA -0.189 4.152 4.340 0.001 0.000 0.210 315 L C 2.404 179.232 176.870 -0.071 0.000 1.081 315 L CA 1.352 56.148 54.840 -0.073 0.000 0.752 315 L CB -0.731 41.262 42.059 -0.110 0.000 0.896 315 L HN 0.228 nan 8.230 nan 0.000 0.433 316 T N -0.602 113.912 114.554 -0.067 0.000 2.777 316 T HA -0.176 4.175 4.350 0.001 0.000 0.266 316 T C 1.900 176.576 174.700 -0.040 0.000 1.040 316 T CA 1.206 63.270 62.100 -0.059 0.000 1.141 316 T CB -0.048 68.776 68.868 -0.073 0.000 0.868 316 T HN 0.268 nan 8.240 nan 0.000 0.444 317 K N 0.690 121.071 120.400 -0.032 0.000 2.283 317 K HA -0.040 4.280 4.320 0.001 0.000 0.202 317 K C 1.324 177.917 176.600 -0.011 0.000 1.048 317 K CA 0.882 57.160 56.287 -0.015 0.000 0.948 317 K CB 0.084 32.582 32.500 -0.002 0.000 0.742 317 K HN 0.180 nan 8.250 nan 0.000 0.458 318 D N 0.115 120.504 120.400 -0.018 0.000 2.340 318 D HA -0.045 4.596 4.640 0.001 0.000 0.220 318 D C -0.193 176.096 176.300 -0.018 0.000 1.039 318 D CA 0.319 54.312 54.000 -0.012 0.000 0.866 318 D CB -0.045 40.750 40.800 -0.009 0.000 0.913 318 D HN 0.077 nan 8.370 nan 0.000 0.523 319 N N -0.315 118.370 118.700 -0.024 0.000 2.783 319 N HA -0.171 4.569 4.740 0.001 0.000 0.247 319 N C -1.444 174.044 175.510 -0.037 0.000 1.089 319 N CA 0.163 53.201 53.050 -0.020 0.000 0.690 319 N CB -1.133 37.350 38.487 -0.006 0.000 0.991 319 N HN -0.096 nan 8.380 nan 0.000 0.552 320 V N 0.265 120.138 119.914 -0.069 0.000 2.398 320 V HA 0.740 4.861 4.120 0.001 0.000 0.286 320 V C 1.368 177.394 176.094 -0.112 0.000 1.026 320 V CA -0.192 62.033 62.300 -0.124 0.000 0.868 320 V CB 1.502 33.187 31.823 -0.230 0.000 0.982 320 V HN 0.354 nan 8.190 nan 0.000 0.443 321 G N 4.762 113.508 108.800 -0.090 0.000 2.444 321 G HA2 0.625 4.585 3.960 0.001 0.000 0.268 321 G HA3 0.625 4.585 3.960 0.001 0.000 0.268 321 G C -0.671 174.189 174.900 -0.067 0.000 1.203 321 G CA -0.353 44.720 45.100 -0.046 0.000 0.835 321 G HN 0.629 nan 8.290 nan 0.000 0.543 322 I N 1.699 122.253 120.570 -0.027 0.000 2.439 322 I HA 0.272 4.442 4.170 0.001 0.000 0.285 322 I C -0.139 175.981 176.117 0.005 0.000 1.021 322 I CA -0.442 60.853 61.300 -0.008 0.000 1.091 322 I CB 2.097 40.109 38.000 0.021 0.000 1.242 322 I HN 0.345 nan 8.210 nan 0.000 0.439 323 M N 7.058 126.658 119.600 0.001 0.000 2.238 323 M HA 0.551 5.031 4.480 0.001 0.000 0.350 323 M C -0.932 175.305 176.300 -0.106 0.000 1.138 323 M CA -0.502 54.767 55.300 -0.051 0.000 1.040 323 M CB 1.356 33.936 32.600 -0.033 0.000 1.639 323 M HN 0.459 nan 8.290 nan 0.000 0.451 324 I N 5.734 126.118 120.570 -0.310 0.000 2.441 324 I HA 0.219 4.389 4.170 0.001 0.000 0.287 324 I C -0.819 174.996 176.117 -0.504 0.000 1.049 324 I CA -0.359 60.569 61.300 -0.619 0.000 1.381 324 I CB 0.790 38.057 38.000 -1.222 0.000 1.409 324 I HN 0.610 nan 8.210 nan 0.000 0.523 325 L N 6.699 127.653 121.223 -0.449 0.000 2.325 325 L HA 0.759 5.099 4.340 0.001 0.000 0.281 325 L C -0.192 176.389 176.870 -0.482 0.000 1.004 325 L CA -0.386 54.207 54.840 -0.413 0.000 0.823 325 L CB 1.575 43.371 42.059 -0.438 0.000 1.236 325 L HN 0.688 nan 8.230 nan 0.000 0.415 326 A N 3.830 126.578 122.820 -0.120 0.000 2.469 326 A HA 0.895 5.215 4.320 0.001 0.000 0.299 326 A C -1.256 176.640 177.584 0.521 0.000 1.098 326 A CA -0.516 51.637 52.037 0.193 0.000 0.737 326 A CB 2.210 21.279 19.000 0.116 0.000 1.312 326 A HN 0.712 nan 8.150 nan 0.000 0.414 327 Q N -0.094 120.008 119.800 0.503 0.000 2.482 327 Q HA 0.658 4.998 4.340 0.001 0.000 0.286 327 Q C -0.579 175.246 176.000 -0.291 0.000 1.007 327 Q CA -0.671 55.258 55.803 0.211 0.000 0.801 327 Q CB 1.446 30.307 28.738 0.205 0.000 1.455 327 Q HN 0.693 nan 8.270 nan 0.000 0.398 328 S N 0.165 115.404 115.700 -0.769 0.000 2.546 328 S HA 0.007 4.478 4.470 0.001 0.000 0.290 328 S C 0.976 175.438 174.600 -0.230 0.000 1.290 328 S CA -0.225 57.565 58.200 -0.682 0.000 1.069 328 S CB 0.556 63.461 63.200 -0.491 0.000 0.846 328 S HN 0.500 nan 8.310 nan 0.000 0.495 329 V N 4.778 124.615 119.914 -0.128 0.000 2.720 329 V HA -0.109 4.011 4.120 0.001 0.000 0.256 329 V C 2.116 178.189 176.094 -0.034 0.000 1.082 329 V CA 1.999 64.279 62.300 -0.032 0.000 1.101 329 V CB -0.754 31.075 31.823 0.011 0.000 0.693 329 V HN 1.022 nan 8.190 nan 0.000 0.479 330 S N -0.475 115.195 115.700 -0.051 0.000 2.942 330 S HA 0.146 4.616 4.470 0.001 0.000 0.244 330 S C 0.396 174.977 174.600 -0.033 0.000 1.011 330 S CA -0.066 58.117 58.200 -0.029 0.000 1.102 330 S CB -0.398 62.792 63.200 -0.015 0.000 0.812 330 S HN 0.707 nan 8.310 nan 0.000 0.486 331 Q N 0.306 120.082 119.800 -0.040 0.000 2.605 331 Q HA 0.367 4.707 4.340 0.001 0.000 0.296 331 Q C -1.320 174.659 176.000 -0.036 0.000 1.056 331 Q CA -1.051 54.729 55.803 -0.038 0.000 0.778 331 Q CB 0.824 29.536 28.738 -0.044 0.000 1.497 331 Q HN 0.298 nan 8.270 nan 0.000 0.443 332 N N 1.393 120.069 118.700 -0.041 0.000 2.420 332 N HA 0.128 4.869 4.740 0.001 0.000 0.262 332 N C -2.065 173.412 175.510 -0.055 0.000 1.144 332 N CA -1.422 51.604 53.050 -0.040 0.000 0.952 332 N CB 1.009 39.472 38.487 -0.040 0.000 1.081 332 N HN 0.204 nan 8.380 nan 0.000 0.480 333 P HA -0.061 nan 4.420 nan 0.000 0.220 333 P C 0.249 177.517 177.300 -0.054 0.000 1.148 333 P CA 1.006 64.082 63.100 -0.040 0.000 0.803 333 P CB 0.279 31.982 31.700 0.004 0.000 0.782 334 N N -0.794 117.883 118.700 -0.038 0.000 2.467 334 N HA -0.071 4.670 4.740 0.001 0.000 0.184 334 N C 0.284 175.762 175.510 -0.053 0.000 1.106 334 N CA 0.858 53.889 53.050 -0.030 0.000 0.892 334 N CB -0.140 38.337 38.487 -0.016 0.000 0.969 334 N HN 0.182 nan 8.380 nan 0.000 0.454 335 D N 0.667 121.021 120.400 -0.077 0.000 2.943 335 D HA 0.243 4.883 4.640 0.001 0.000 0.347 335 D C -2.676 173.555 176.300 -0.116 0.000 1.305 335 D CA -2.067 51.883 54.000 -0.083 0.000 0.870 335 D CB 0.454 41.213 40.800 -0.068 0.000 1.081 335 D HN -0.100 nan 8.370 nan 0.000 0.492 336 P HA 0.055 nan 4.420 nan 0.000 0.261 336 P C -1.053 176.182 177.300 -0.108 0.000 1.183 336 P CA 0.498 63.355 63.100 -0.404 0.000 0.761 336 P CB 0.314 31.563 31.700 -0.750 0.000 0.785 337 H N 2.710 121.696 119.070 -0.141 0.000 2.658 337 H HA 0.378 4.934 4.556 0.001 0.000 0.337 337 H C -0.812 174.651 175.328 0.225 0.000 1.009 337 H CA -1.025 55.067 56.048 0.073 0.000 1.231 337 H CB 0.656 30.461 29.762 0.073 0.000 1.508 337 H HN 0.167 nan 8.280 nan 0.000 0.517 338 L N 5.123 126.366 121.223 0.034 0.000 2.615 338 L HA 0.177 4.518 4.340 0.001 0.000 0.271 338 L C 0.940 177.887 176.870 0.128 0.000 1.183 338 L CA 1.275 56.195 54.840 0.134 0.000 0.933 338 L CB 0.045 42.126 42.059 0.036 0.000 1.199 338 L HN 0.935 nan 8.230 nan 0.000 0.487 339 G N 3.459 112.439 108.800 0.300 0.000 2.556 339 G HA2 0.013 3.973 3.960 0.001 0.000 0.209 339 G HA3 0.013 3.973 3.960 0.001 0.000 0.209 339 G C -0.278 174.840 174.900 0.364 0.000 1.159 339 G CA 0.297 45.651 45.100 0.423 0.000 0.828 339 G HN 0.657 nan 8.290 nan 0.000 0.553 340 H N -0.991 118.143 119.070 0.106 0.000 3.046 340 H HA 0.688 5.244 4.556 0.001 0.000 0.363 340 H C -1.267 173.937 175.328 -0.207 0.000 1.203 340 H CA -0.368 55.585 56.048 -0.159 0.000 1.169 340 H CB 1.744 31.256 29.762 -0.416 0.000 1.851 340 H HN 0.311 nan 8.280 nan 0.000 0.546 341 A N 3.382 125.751 122.820 -0.752 0.000 2.386 341 A HA 0.735 5.055 4.320 0.001 0.000 0.311 341 A C -1.675 175.424 177.584 -0.808 0.000 1.068 341 A CA -0.472 51.204 52.037 -0.601 0.000 0.743 341 A CB 0.921 19.719 19.000 -0.336 0.000 1.258 341 A HN 0.410 nan 8.150 nan 0.000 0.429 342 L N 0.290 121.143 121.223 -0.617 0.000 2.250 342 L HA 0.903 5.243 4.340 0.001 0.000 0.252 342 L C 0.280 176.981 176.870 -0.282 0.000 1.054 342 L CA -0.421 54.104 54.840 -0.526 0.000 0.856 342 L CB 1.807 43.529 42.059 -0.563 0.000 1.443 342 L HN 0.872 nan 8.230 nan 0.000 0.427 343 A N 0.045 122.815 122.820 -0.084 0.000 2.318 343 A HA 0.751 5.071 4.320 0.001 0.000 0.317 343 A C -0.895 176.695 177.584 0.010 0.000 1.159 343 A CA -0.602 51.476 52.037 0.069 0.000 0.799 343 A CB 1.040 20.288 19.000 0.414 0.000 1.194 343 A HN 0.352 nan 8.150 nan 0.000 0.479 344 V N 3.120 123.011 119.914 -0.039 0.000 2.614 344 V HA 0.154 4.274 4.120 0.001 0.000 0.291 344 V C 0.906 176.909 176.094 -0.151 0.000 1.049 344 V CA 0.161 62.444 62.300 -0.028 0.000 1.038 344 V CB 1.402 33.244 31.823 0.032 0.000 0.980 344 V HN 0.729 nan 8.190 nan 0.000 0.481 345 V N 2.866 122.652 119.914 -0.213 0.000 3.572 345 V HA 0.585 4.705 4.120 0.001 0.000 0.260 345 V C 0.865 176.835 176.094 -0.207 0.000 1.324 345 V CA 1.074 63.134 62.300 -0.400 0.000 1.068 345 V CB 0.193 31.649 31.823 -0.612 0.000 0.837 345 V HN 1.113 nan 8.190 nan 0.000 0.450 346 G N 0.782 109.510 108.800 -0.119 0.000 2.367 346 G HA2 0.227 4.188 3.960 0.001 0.000 0.272 346 G HA3 0.227 4.188 3.960 0.001 0.000 0.272 346 G C -2.004 172.856 174.900 -0.067 0.000 1.271 346 G CA -0.035 45.004 45.100 -0.103 0.000 0.893 346 G HN 0.298 nan 8.290 nan 0.000 0.485 347 N N -0.274 118.368 118.700 -0.096 0.000 2.647 347 N HA 0.840 5.580 4.740 0.001 0.000 0.266 347 N C -0.572 174.932 175.510 -0.010 0.000 1.373 347 N CA -0.037 52.994 53.050 -0.031 0.000 0.807 347 N CB 1.994 40.357 38.487 -0.207 0.000 1.513 347 N HN 1.914 nan 8.380 nan 0.000 0.505 348 A N -0.169 122.756 122.820 0.175 0.000 2.599 348 A HA 0.647 4.967 4.320 0.001 0.000 0.290 348 A C -1.613 176.120 177.584 0.247 0.000 1.101 348 A CA -0.792 51.316 52.037 0.117 0.000 0.674 348 A CB 1.610 20.575 19.000 -0.057 0.000 1.277 348 A HN 0.638 nan 8.150 nan 0.000 0.419 349 K N 1.220 121.731 120.400 0.185 0.000 2.535 349 K HA 0.663 4.983 4.320 0.001 0.000 0.253 349 K C -1.731 174.870 176.600 0.003 0.000 0.953 349 K CA -0.236 56.104 56.287 0.089 0.000 0.863 349 K CB 0.881 33.468 32.500 0.147 0.000 1.111 349 K HN 0.609 nan 8.250 nan 0.000 0.431 350 I N 3.499 124.026 120.570 -0.073 0.000 2.433 350 I HA 0.191 4.362 4.170 0.001 0.000 0.292 350 I C -0.029 176.062 176.117 -0.044 0.000 1.001 350 I CA -0.892 60.348 61.300 -0.099 0.000 1.119 350 I CB 1.678 39.523 38.000 -0.257 0.000 1.289 350 I HN 0.706 nan 8.210 nan 0.000 0.438 351 N N 4.168 122.854 118.700 -0.024 0.000 2.716 351 N HA -0.252 4.488 4.740 0.001 0.000 0.250 351 N C 0.172 175.674 175.510 -0.013 0.000 1.033 351 N CA 1.507 54.552 53.050 -0.009 0.000 0.727 351 N CB -0.960 37.535 38.487 0.012 0.000 0.950 351 N HN 0.924 nan 8.380 nan 0.000 0.541 352 D N -1.501 118.886 120.400 -0.023 0.000 3.041 352 D HA -0.208 4.433 4.640 0.001 0.000 0.220 352 D C -0.666 175.599 176.300 -0.059 0.000 1.157 352 D CA 1.498 55.476 54.000 -0.037 0.000 0.876 352 D CB -0.621 40.161 40.800 -0.030 0.000 1.107 352 D HN 0.666 nan 8.370 nan 0.000 0.422 353 Q N 0.019 119.782 119.800 -0.062 0.000 2.375 353 Q HA 0.390 4.731 4.340 0.001 0.000 0.271 353 Q C -0.556 175.359 176.000 -0.141 0.000 1.074 353 Q CA -0.894 54.857 55.803 -0.085 0.000 0.808 353 Q CB 1.636 30.360 28.738 -0.023 0.000 1.327 353 Q HN 0.265 nan 8.270 nan 0.000 0.441 354 E N 2.585 122.635 120.200 -0.250 0.000 2.344 354 E HA 0.168 4.518 4.350 0.001 0.000 0.270 354 E C -0.548 176.002 176.600 -0.083 0.000 1.021 354 E CA 0.029 56.185 56.400 -0.407 0.000 0.887 354 E CB 0.645 29.870 29.700 -0.791 0.000 0.997 354 E HN 0.122 nan 8.360 nan 0.000 0.429 355 K N 2.406 122.852 120.400 0.077 0.000 2.482 355 K HA 0.535 4.856 4.320 0.001 0.000 0.257 355 K C -0.618 176.117 176.600 0.225 0.000 0.969 355 K CA -0.792 55.568 56.287 0.121 0.000 0.842 355 K CB 1.799 34.282 32.500 -0.028 0.000 1.359 355 K HN 0.372 nan 8.250 nan 0.000 0.441 356 L N 2.011 123.362 121.223 0.213 0.000 2.346 356 L HA 0.575 4.915 4.340 0.001 0.000 0.274 356 L C -0.206 176.780 176.870 0.194 0.000 1.007 356 L CA -1.019 53.958 54.840 0.228 0.000 0.818 356 L CB 1.479 43.731 42.059 0.321 0.000 1.284 356 L HN 0.405 nan 8.230 nan 0.000 0.424 357 I N 2.754 123.386 120.570 0.105 0.000 2.377 357 I HA 0.406 4.576 4.170 0.001 0.000 0.293 357 I C -0.865 175.288 176.117 0.060 0.000 0.987 357 I CA -0.606 60.692 61.300 -0.003 0.000 1.185 357 I CB 1.343 39.289 38.000 -0.089 0.000 1.341 357 I HN 0.507 nan 8.210 nan 0.000 0.455 358 Y N 3.956 124.222 120.300 -0.056 0.000 2.689 358 Y HA 0.638 5.188 4.550 0.001 0.000 0.333 358 Y C -1.890 174.029 175.900 0.032 0.000 1.190 358 Y CA -1.567 56.487 58.100 -0.077 0.000 1.063 358 Y CB 1.123 39.520 38.460 -0.104 0.000 1.294 358 Y HN 0.544 nan 8.280 nan 0.000 0.466 359 W N 3.590 124.922 121.300 0.054 0.000 2.554 359 W HA 0.493 5.153 4.660 0.001 0.000 0.324 359 W C -1.482 175.108 176.519 0.118 0.000 1.018 359 W CA -1.272 56.108 57.345 0.058 0.000 1.243 359 W CB 1.516 31.061 29.460 0.142 0.000 1.345 359 W HN 0.657 nan 8.180 nan 0.000 0.441 360 N N 7.449 125.947 118.700 -0.336 0.000 2.408 360 N HA 0.189 4.930 4.740 0.001 0.000 0.257 360 N C -1.684 173.101 175.510 -1.209 0.000 1.064 360 N CA -1.633 51.057 53.050 -0.600 0.000 0.952 360 N CB 2.026 40.410 38.487 -0.173 0.000 1.093 360 N HN 0.195 nan 8.380 nan 0.000 0.490 361 P HA -0.128 nan 4.420 nan 0.000 0.219 361 P C 0.684 177.634 177.300 -0.583 0.000 1.145 361 P CA 1.179 63.427 63.100 -1.421 0.000 0.813 361 P CB 0.054 31.166 31.700 -0.980 0.000 0.771 362 W N -0.613 120.484 121.300 -0.340 0.000 2.800 362 W HA 0.089 4.749 4.660 0.001 0.000 0.249 362 W C 0.140 176.666 176.519 0.011 0.000 1.294 362 W CA 0.239 57.507 57.345 -0.128 0.000 1.402 362 W CB -0.869 28.553 29.460 -0.062 0.000 1.126 362 W HN 0.069 nan 8.180 nan 0.000 0.652 363 D N -0.919 119.625 120.400 0.239 0.000 2.326 363 D HA 0.171 4.811 4.640 0.001 0.000 0.251 363 D C 1.359 177.950 176.300 0.484 0.000 1.023 363 D CA 0.027 54.228 54.000 0.335 0.000 0.966 363 D CB 1.338 42.319 40.800 0.302 0.000 1.156 363 D HN -0.202 nan 8.370 nan 0.000 0.494 364 T N -3.178 111.590 114.554 0.356 0.000 3.069 364 T HA 0.251 4.601 4.350 0.001 0.000 0.252 364 T C 0.406 175.260 174.700 0.258 0.000 1.053 364 T CA -0.065 62.215 62.100 0.300 0.000 0.964 364 T CB 0.449 69.435 68.868 0.196 0.000 1.005 364 T HN 0.311 nan 8.240 nan 0.000 0.532 365 E N 0.148 120.530 120.200 0.302 0.000 2.456 365 E HA 0.597 4.947 4.350 0.001 0.000 0.276 365 E C -0.911 175.852 176.600 0.271 0.000 0.981 365 E CA -1.029 55.513 56.400 0.236 0.000 0.814 365 E CB 1.924 31.753 29.700 0.214 0.000 1.382 365 E HN 0.094 nan 8.360 nan 0.000 0.459 366 L N 0.398 121.711 121.223 0.150 0.000 2.490 366 L HA 0.434 4.775 4.340 0.001 0.000 0.245 366 L C 0.101 176.923 176.870 -0.080 0.000 1.185 366 L CA -0.225 54.654 54.840 0.064 0.000 0.813 366 L CB 0.703 42.746 42.059 -0.027 0.000 1.233 366 L HN 0.388 nan 8.230 nan 0.000 0.489 367 S N 0.082 115.596 115.700 -0.311 0.000 2.569 367 S HA 0.705 5.176 4.470 0.001 0.000 0.280 367 S C -0.785 173.526 174.600 -0.482 0.000 1.111 367 S CA -0.537 57.387 58.200 -0.460 0.000 0.887 367 S CB 2.111 64.830 63.200 -0.802 0.000 1.095 367 S HN 0.314 nan 8.310 nan 0.000 0.476 368 I N 1.856 122.293 120.570 -0.222 0.000 2.582 368 I HA 0.567 4.737 4.170 0.001 0.000 0.292 368 I C -0.501 175.709 176.117 0.155 0.000 1.066 368 I CA -0.466 60.787 61.300 -0.078 0.000 1.053 368 I CB 2.127 40.034 38.000 -0.154 0.000 1.241 368 I HN 0.536 nan 8.210 nan 0.000 0.421 369 Q N 3.225 123.170 119.800 0.243 0.000 2.482 369 Q HA 0.287 4.627 4.340 0.001 0.000 0.286 369 Q C -1.734 174.435 176.000 0.280 0.000 1.007 369 Q CA -0.850 55.162 55.803 0.348 0.000 0.801 369 Q CB 2.455 31.448 28.738 0.425 0.000 1.455 369 Q HN 0.549 nan 8.270 nan 0.000 0.398 370 D N 1.436 121.996 120.400 0.267 0.000 2.583 370 D HA 0.033 4.673 4.640 0.001 0.000 0.232 370 D C 0.593 176.994 176.300 0.169 0.000 1.128 370 D CA 0.986 55.098 54.000 0.187 0.000 0.859 370 D CB 0.986 41.877 40.800 0.151 0.000 1.169 370 D HN 0.635 nan 8.370 nan 0.000 0.481 371 A N 3.235 126.135 122.820 0.132 0.000 2.015 371 A HA -0.144 4.177 4.320 0.001 0.000 0.219 371 A C 1.304 178.932 177.584 0.073 0.000 1.163 371 A CA 1.110 53.231 52.037 0.141 0.000 0.646 371 A CB -0.095 19.011 19.000 0.177 0.000 0.806 371 A HN 0.634 nan 8.150 nan 0.000 0.448 372 D N 0.055 120.484 120.400 0.048 0.000 2.460 372 D HA 0.066 4.707 4.640 0.001 0.000 0.229 372 D C 0.223 176.541 176.300 0.030 0.000 1.170 372 D CA 0.445 54.453 54.000 0.014 0.000 0.827 372 D CB -0.616 40.183 40.800 -0.001 0.000 0.973 372 D HN 0.302 nan 8.370 nan 0.000 0.496 373 S N -0.533 115.210 115.700 0.071 0.000 2.489 373 S HA 0.452 4.923 4.470 0.001 0.000 0.291 373 S C 0.634 175.303 174.600 0.115 0.000 1.151 373 S CA -0.524 57.731 58.200 0.091 0.000 1.082 373 S CB 1.719 64.993 63.200 0.124 0.000 1.019 373 S HN 0.111 nan 8.310 nan 0.000 0.492 374 S N 1.998 117.764 115.700 0.109 0.000 2.602 374 S HA 0.373 4.843 4.470 0.001 0.000 0.240 374 S C -0.353 174.374 174.600 0.210 0.000 0.992 374 S CA -0.442 57.852 58.200 0.155 0.000 0.971 374 S CB -0.429 62.822 63.200 0.085 0.000 0.855 374 S HN 0.517 nan 8.310 nan 0.000 0.481 375 L N 1.882 123.215 121.223 0.184 0.000 2.362 375 L HA 0.604 4.944 4.340 0.001 0.000 0.275 375 L C -0.813 176.171 176.870 0.191 0.000 0.998 375 L CA -0.812 54.140 54.840 0.188 0.000 0.820 375 L CB 1.782 43.932 42.059 0.152 0.000 1.270 375 L HN 0.324 nan 8.230 nan 0.000 0.415 376 L N 3.596 124.939 121.223 0.199 0.000 2.294 376 L HA 0.359 4.700 4.340 0.001 0.000 0.283 376 L C -0.725 176.282 176.870 0.229 0.000 1.015 376 L CA -0.747 54.192 54.840 0.165 0.000 0.831 376 L CB 1.136 43.223 42.059 0.047 0.000 1.217 376 L HN 0.547 nan 8.230 nan 0.000 0.420 377 H N 4.074 123.231 119.070 0.145 0.000 2.723 377 H HA 0.482 5.038 4.556 0.001 0.000 0.294 377 H C -0.562 174.873 175.328 0.178 0.000 1.079 377 H CA 0.059 56.201 56.048 0.156 0.000 1.411 377 H CB 0.547 30.371 29.762 0.105 0.000 1.439 377 H HN 0.424 nan 8.280 nan 0.000 0.474 378 L N 2.140 123.264 121.223 -0.166 0.000 2.664 378 L HA 0.450 4.791 4.340 0.001 0.000 0.253 378 L C 0.648 177.503 176.870 -0.024 0.000 1.293 378 L CA -1.177 53.671 54.840 0.014 0.000 1.280 378 L CB 0.474 42.558 42.059 0.042 0.000 1.993 378 L HN 0.602 nan 8.230 nan 0.000 0.577 379 S N -1.162 114.526 115.700 -0.020 0.000 2.617 379 S HA 0.159 4.629 4.470 0.001 0.000 0.259 379 S C 0.191 174.766 174.600 -0.042 0.000 1.301 379 S CA -0.283 57.733 58.200 -0.306 0.000 0.984 379 S CB 0.384 63.205 63.200 -0.631 0.000 0.954 379 S HN 0.563 nan 8.310 nan 0.000 0.572 380 F N 0.927 120.720 119.950 -0.261 0.000 3.100 380 F HA -0.293 4.234 4.527 0.001 0.000 0.284 380 F C 0.603 176.392 175.800 -0.019 0.000 0.875 380 F CA 1.109 59.057 58.000 -0.087 0.000 1.039 380 F CB -2.159 36.814 39.000 -0.045 0.000 1.111 380 F HN 1.031 nan 8.300 nan 0.000 0.575 381 N N 0.526 119.204 118.700 -0.035 0.000 2.735 381 N HA -0.280 4.461 4.740 0.001 0.000 0.248 381 N C -0.102 175.399 175.510 -0.015 0.000 1.083 381 N CA 1.459 54.504 53.050 -0.010 0.000 0.703 381 N CB -0.518 37.940 38.487 -0.049 0.000 1.005 381 N HN 0.700 nan 8.380 nan 0.000 0.550 382 R N 0.173 120.658 120.500 -0.025 0.000 2.486 382 R HA 0.396 4.736 4.340 0.001 0.000 0.286 382 R C -0.827 175.541 176.300 0.112 0.000 0.999 382 R CA -0.614 55.553 56.100 0.111 0.000 0.993 382 R CB 0.911 31.399 30.300 0.314 0.000 1.084 382 R HN 0.169 nan 8.270 nan 0.000 0.487 383 D N 2.158 122.674 120.400 0.194 0.000 2.481 383 D HA 0.175 4.815 4.640 0.001 0.000 0.246 383 D C -1.006 175.445 176.300 0.252 0.000 1.109 383 D CA -0.277 53.874 54.000 0.251 0.000 0.845 383 D CB 1.434 42.363 40.800 0.215 0.000 1.160 383 D HN 0.281 nan 8.370 nan 0.000 0.534 384 Y N 1.323 121.689 120.300 0.111 0.000 2.320 384 Y HA 0.154 4.704 4.550 0.001 0.000 0.334 384 Y C 1.033 177.021 175.900 0.146 0.000 1.055 384 Y CA -0.625 57.552 58.100 0.128 0.000 1.143 384 Y CB 1.013 39.542 38.460 0.116 0.000 1.193 384 Y HN 0.230 nan 8.280 nan 0.000 0.477 385 N N 2.752 121.603 118.700 0.252 0.000 2.455 385 N HA -0.002 4.738 4.740 0.001 0.000 0.280 385 N C -0.959 174.770 175.510 0.365 0.000 1.055 385 N CA -0.519 52.693 53.050 0.270 0.000 0.961 385 N CB 0.530 39.147 38.487 0.216 0.000 1.121 385 N HN 0.676 nan 8.380 nan 0.000 0.476 386 W N 7.283 128.640 121.300 0.096 0.000 2.351 386 W HA 0.071 4.731 4.660 0.000 0.000 0.421 386 W C -0.069 176.472 176.519 0.036 0.000 1.000 386 W CA -0.975 56.373 57.345 0.005 0.000 1.610 386 W CB -0.853 28.575 29.460 -0.053 0.000 1.700 386 W HN 0.600 nan 8.180 nan 0.000 0.351 387 Y N 3.361 123.909 120.300 0.413 0.000 2.490 387 Y HA 0.488 5.039 4.550 0.001 0.000 0.285 387 Y C 0.908 176.973 175.900 0.276 0.000 1.117 387 Y CA 0.540 58.802 58.100 0.270 0.000 1.262 387 Y CB -0.296 38.299 38.460 0.226 0.000 1.043 387 Y HN 0.186 nan 8.280 nan 0.000 0.553 388 G N -0.787 108.003 108.800 -0.017 0.000 2.488 388 G HA2 0.543 4.503 3.960 0.001 0.000 0.301 388 G HA3 0.543 4.503 3.960 0.001 0.000 0.301 388 G C -1.680 173.300 174.900 0.134 0.000 1.339 388 G CA -0.568 44.569 45.100 0.061 0.000 0.803 388 G HN 0.157 nan 8.290 nan 0.000 0.482 389 S N -0.550 115.193 115.700 0.072 0.000 2.607 389 S HA 0.674 5.145 4.470 0.001 0.000 0.273 389 S C -0.863 173.816 174.600 0.132 0.000 1.148 389 S CA -0.810 57.478 58.200 0.146 0.000 0.833 389 S CB 1.808 65.133 63.200 0.209 0.000 1.130 389 S HN 0.557 nan 8.310 nan 0.000 0.470 390 M N 2.452 122.127 119.600 0.125 0.000 2.066 390 M HA 0.465 4.946 4.480 0.001 0.000 0.340 390 M C -1.107 175.237 176.300 0.074 0.000 1.053 390 M CA -0.080 55.302 55.300 0.136 0.000 0.983 390 M CB 0.111 32.783 32.600 0.119 0.000 1.520 390 M HN 0.541 nan 8.290 nan 0.000 0.428 391 I N 2.204 122.820 120.570 0.076 0.000 2.330 391 I HA 0.349 4.520 4.170 0.001 0.000 0.289 391 I C 0.946 177.008 176.117 -0.092 0.000 1.001 391 I CA -0.552 60.705 61.300 -0.072 0.000 1.193 391 I CB 1.665 39.577 38.000 -0.148 0.000 1.345 391 I HN 0.767 nan 8.210 nan 0.000 0.461 392 G N 6.526 115.239 108.800 -0.146 0.000 2.977 392 G HA2 0.303 4.264 3.960 0.001 0.000 0.306 392 G HA3 0.303 4.264 3.960 0.001 0.000 0.306 392 G C -0.416 174.403 174.900 -0.135 0.000 0.885 392 G CA -0.165 44.894 45.100 -0.068 0.000 1.649 392 G HN 0.397 nan 8.290 nan 0.000 0.514 393 Y N 0.598 120.886 120.300 -0.020 0.000 2.330 393 Y HA 0.267 4.817 4.550 0.000 0.000 0.341 393 Y C 1.232 177.118 175.900 -0.023 0.000 1.278 393 Y CA -0.461 57.609 58.100 -0.051 0.000 1.453 393 Y CB 0.754 39.137 38.460 -0.129 0.000 1.342 393 Y HN 0.241 nan 8.280 nan 0.000 0.590 394 L N 2.088 123.395 121.223 0.140 0.000 2.360 394 L HA 0.166 4.506 4.340 0.001 0.000 0.276 394 L C 0.222 177.138 176.870 0.076 0.000 1.121 394 L CA -0.695 54.191 54.840 0.076 0.000 0.845 394 L CB 0.050 42.140 42.059 0.052 0.000 1.143 394 L HN 0.617 nan 8.230 nan 0.000 0.452 395 E N 2.680 122.916 120.200 0.060 0.000 2.694 395 E HA 0.087 4.437 4.350 0.001 0.000 0.250 395 E C -0.339 176.283 176.600 0.037 0.000 0.963 395 E CA -0.756 55.676 56.400 0.054 0.000 0.949 395 E CB 0.172 29.894 29.700 0.036 0.000 0.911 395 E HN 0.372 nan 8.360 nan 0.000 0.500 396 V N 3.063 122.998 119.914 0.034 0.000 2.611 396 V HA -0.060 4.060 4.120 0.001 0.000 0.296 396 V C -1.462 174.640 176.094 0.014 0.000 1.006 396 V CA -0.968 61.342 62.300 0.017 0.000 1.194 396 V CB -1.211 30.619 31.823 0.010 0.000 0.871 396 V HN 0.719 nan 8.190 nan 0.000 0.470 397 P HA 0.000 nan 4.420 nan 0.000 0.216 397 P CA 0.000 63.105 63.100 0.008 0.000 0.800 397 P CB 0.000 31.704 31.700 0.007 0.000 0.726