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 3kcv_1_A DATA FIRST_RESID 30 DATA SEQUENCE HPLKTFYLAI TAGVFISIAF VFYITATTGT GTMPFGMAKL VGGICFSLGL DATA SEQUENCE ILCVVCGADL FTSTVLIVVA KASGRITWGQ LAKNWLNVYF GNLVGALLFV DATA SEQUENCE LLMWLSGEYM TANGQWGLNV LQTADHKVHH TFIEAVCLGI LANLMVCLAV DATA SEQUENCE WMSYSGRSLM DKAFIMVLPV AMFVASGFEH SIANMFMIPM GIVIRDFASP DATA SEQUENCE EFWTAVGSAP ENFSHLTVMN FITDNLIPVT IGNIIGGGLL VGLTYWVIYL 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 30 H HA 0.000 nan 4.556 nan 0.000 0.296 30 H C 0.000 175.320 175.328 -0.013 0.000 0.993 30 H CA 0.000 56.050 56.048 0.003 0.000 1.023 30 H CB 0.000 29.766 29.762 0.006 0.000 1.292 31 P HA -0.157 nan 4.420 nan 0.000 0.214 31 P C 1.502 178.791 177.300 -0.018 0.000 1.163 31 P CA 1.127 64.235 63.100 0.013 0.000 0.889 31 P CB 0.344 32.036 31.700 -0.014 0.000 0.790 32 L N -0.633 120.540 121.223 -0.083 0.000 2.141 32 L HA -0.091 4.235 4.340 -0.023 0.000 0.209 32 L C 2.416 178.944 176.870 -0.571 0.000 1.094 32 L CA 1.677 56.328 54.840 -0.314 0.000 0.763 32 L CB -1.281 40.617 42.059 -0.268 0.000 0.908 32 L HN -0.085 nan 8.230 nan 0.000 0.437 33 K N -0.414 119.863 120.400 -0.204 0.000 2.057 33 K HA -0.137 4.170 4.320 -0.023 0.000 0.206 33 K C 2.064 178.655 176.600 -0.016 0.000 1.050 33 K CA 1.658 57.913 56.287 -0.054 0.000 0.935 33 K CB -0.105 32.448 32.500 0.087 0.000 0.715 33 K HN 0.270 nan 8.250 nan 0.000 0.439 34 T N 0.987 115.550 114.554 0.014 0.000 2.720 34 T HA -0.169 4.167 4.350 -0.023 0.000 0.268 34 T C 1.443 176.163 174.700 0.034 0.000 1.037 34 T CA 1.482 63.611 62.100 0.048 0.000 1.144 34 T CB -0.360 68.555 68.868 0.079 0.000 0.864 34 T HN 0.260 nan 8.240 nan 0.000 0.444 35 F N 0.831 120.687 119.950 -0.157 0.000 2.126 35 F HA -0.184 4.329 4.527 -0.023 0.000 0.299 35 F C 1.915 177.654 175.800 -0.102 0.000 1.096 35 F CA 1.298 59.196 58.000 -0.170 0.000 1.255 35 F CB -0.349 38.493 39.000 -0.263 0.000 0.997 35 F HN 0.193 nan 8.300 nan 0.000 0.479 36 Y N 0.260 120.629 120.300 0.115 0.000 2.224 36 Y HA -0.184 4.353 4.550 -0.023 0.000 0.289 36 Y C 2.325 178.157 175.900 -0.114 0.000 1.146 36 Y CA 1.030 59.127 58.100 -0.005 0.000 1.182 36 Y CB -1.342 37.139 38.460 0.035 0.000 0.983 36 Y HN 0.085 nan 8.280 nan 0.000 0.524 37 L N -0.934 120.326 121.223 0.063 0.000 2.156 37 L HA -0.125 4.201 4.340 -0.023 0.000 0.208 37 L C 2.620 179.428 176.870 -0.104 0.000 1.095 37 L CA 0.871 55.699 54.840 -0.021 0.000 0.770 37 L CB -0.828 41.246 42.059 0.025 0.000 0.914 37 L HN 0.186 nan 8.230 nan 0.000 0.439 38 A N 0.659 123.399 122.820 -0.135 0.000 1.877 38 A HA -0.173 4.133 4.320 -0.023 0.000 0.216 38 A C 2.233 179.651 177.584 -0.277 0.000 1.186 38 A CA 1.403 53.326 52.037 -0.189 0.000 0.620 38 A CB -0.607 18.243 19.000 -0.251 0.000 0.822 38 A HN 0.306 nan 8.150 nan 0.000 0.443 39 I N -0.121 120.231 120.570 -0.364 0.000 2.208 39 I HA -0.253 3.903 4.170 -0.023 0.000 0.245 39 I C 2.529 178.472 176.117 -0.290 0.000 1.097 39 I CA 1.858 62.968 61.300 -0.317 0.000 1.363 39 I CB -0.695 37.162 38.000 -0.238 0.000 1.051 39 I HN 0.305 nan 8.210 nan 0.000 0.413 40 T N 0.818 115.173 114.554 -0.332 0.000 2.746 40 T HA -0.157 4.179 4.350 -0.023 0.000 0.267 40 T C 2.060 176.276 174.700 -0.806 0.000 1.039 40 T CA 1.428 63.167 62.100 -0.601 0.000 1.142 40 T CB -0.331 68.207 68.868 -0.550 0.000 0.866 40 T HN 0.489 nan 8.240 nan 0.000 0.444 41 A N 1.528 124.082 122.820 -0.444 0.000 1.902 41 A HA 0.125 4.431 4.320 -0.023 0.000 0.217 41 A C 2.670 180.149 177.584 -0.174 0.000 1.181 41 A CA 1.831 53.726 52.037 -0.238 0.000 0.623 41 A CB -1.444 17.513 19.000 -0.072 0.000 0.818 41 A HN 0.508 nan 8.150 nan 0.000 0.443 42 G N -0.567 108.126 108.800 -0.178 0.000 2.469 42 G HA2 -0.165 3.781 3.960 -0.023 0.000 0.219 42 G HA3 -0.165 3.781 3.960 -0.023 0.000 0.219 42 G C 1.531 176.331 174.900 -0.167 0.000 1.150 42 G CA 1.332 46.365 45.100 -0.112 0.000 0.763 42 G HN 0.325 nan 8.290 nan 0.000 0.561 43 V N 0.430 120.173 119.914 -0.284 0.000 2.307 43 V HA -0.073 4.034 4.120 -0.023 0.000 0.245 43 V C 2.564 178.395 176.094 -0.438 0.000 1.045 43 V CA 1.367 63.411 62.300 -0.426 0.000 1.024 43 V CB -0.579 31.022 31.823 -0.370 0.000 0.651 43 V HN 0.273 nan 8.190 nan 0.000 0.449 44 F N -0.611 119.130 119.950 -0.349 0.000 2.161 44 F HA -0.157 4.355 4.527 -0.024 0.000 0.300 44 F C 2.167 177.755 175.800 -0.354 0.000 1.089 44 F CA 1.064 58.869 58.000 -0.324 0.000 1.282 44 F CB -1.044 37.830 39.000 -0.210 0.000 1.010 44 F HN 0.128 nan 8.300 nan 0.000 0.485 45 I N -0.530 119.985 120.570 -0.093 0.000 2.439 45 I HA -0.209 3.947 4.170 -0.023 0.000 0.251 45 I C 2.348 178.362 176.117 -0.170 0.000 1.139 45 I CA 1.117 62.336 61.300 -0.136 0.000 1.438 45 I CB -0.604 37.412 38.000 0.028 0.000 1.085 45 I HN -0.082 nan 8.210 nan 0.000 0.427 46 S N 0.277 115.791 115.700 -0.309 0.000 2.368 46 S HA -0.084 4.372 4.470 -0.023 0.000 0.224 46 S C 2.073 176.353 174.600 -0.534 0.000 1.029 46 S CA 1.299 59.132 58.200 -0.611 0.000 0.988 46 S CB -0.367 62.364 63.200 -0.782 0.000 0.838 46 S HN 0.398 nan 8.310 nan 0.000 0.462 47 I N 1.974 122.168 120.570 -0.628 0.000 2.151 47 I HA -0.308 3.848 4.170 -0.023 0.000 0.243 47 I C 2.727 178.803 176.117 -0.070 0.000 1.080 47 I CA 1.281 62.428 61.300 -0.255 0.000 1.339 47 I CB -0.573 37.258 38.000 -0.281 0.000 1.039 47 I HN 0.282 nan 8.210 nan 0.000 0.409 48 A N 0.438 123.113 122.820 -0.243 0.000 1.908 48 A HA -0.242 4.064 4.320 -0.023 0.000 0.218 48 A C 2.170 179.723 177.584 -0.052 0.000 1.181 48 A CA 1.668 53.439 52.037 -0.443 0.000 0.627 48 A CB -0.853 17.367 19.000 -1.300 0.000 0.818 48 A HN 0.366 nan 8.150 nan 0.000 0.445 49 F N -0.244 119.781 119.950 0.125 0.000 2.293 49 F HA -0.028 4.485 4.527 -0.022 0.000 0.297 49 F C 2.439 178.559 175.800 0.533 0.000 1.089 49 F CA 0.608 58.943 58.000 0.558 0.000 1.377 49 F CB -0.408 38.958 39.000 0.611 0.000 1.051 49 F HN 0.025 nan 8.300 nan 0.000 0.511 50 V N -0.483 119.812 119.914 0.635 0.000 2.295 50 V HA -0.309 3.797 4.120 -0.023 0.000 0.246 50 V C 2.322 178.804 176.094 0.647 0.000 1.049 50 V CA 1.739 64.450 62.300 0.685 0.000 1.024 50 V CB -0.840 31.358 31.823 0.624 0.000 0.648 50 V HN 0.247 nan 8.190 nan 0.000 0.447 51 F N 0.268 120.422 119.950 0.340 0.000 2.120 51 F HA -0.259 4.254 4.527 -0.023 0.000 0.300 51 F C 2.367 178.337 175.800 0.283 0.000 1.095 51 F CA 1.890 60.043 58.000 0.255 0.000 1.249 51 F CB -0.995 38.093 39.000 0.146 0.000 0.995 51 F HN 0.355 nan 8.300 nan 0.000 0.480 52 Y N 0.395 120.879 120.300 0.308 0.000 2.114 52 Y HA -0.224 4.313 4.550 -0.023 0.000 0.284 52 Y C 2.377 178.342 175.900 0.109 0.000 1.143 52 Y CA 1.948 60.142 58.100 0.156 0.000 1.135 52 Y CB -0.625 38.027 38.460 0.319 0.000 0.980 52 Y HN -0.018 nan 8.280 nan 0.000 0.499 53 I N 0.240 120.878 120.570 0.113 0.000 2.151 53 I HA -0.357 3.799 4.170 -0.023 0.000 0.243 53 I C 2.294 178.275 176.117 -0.227 0.000 1.080 53 I CA 2.224 63.383 61.300 -0.235 0.000 1.339 53 I CB -1.727 36.033 38.000 -0.400 0.000 1.039 53 I HN 0.304 nan 8.210 nan 0.000 0.409 54 T N 1.100 115.731 114.554 0.129 0.000 2.788 54 T HA -0.098 4.238 4.350 -0.023 0.000 0.268 54 T C 1.989 176.750 174.700 0.101 0.000 1.044 54 T CA 1.442 63.716 62.100 0.290 0.000 1.139 54 T CB -0.219 68.961 68.868 0.520 0.000 0.867 54 T HN 0.481 nan 8.240 nan 0.000 0.454 55 A N 1.650 124.455 122.820 -0.026 0.000 1.873 55 A HA -0.100 4.207 4.320 -0.023 0.000 0.215 55 A C 2.551 180.030 177.584 -0.175 0.000 1.186 55 A CA 2.096 54.058 52.037 -0.125 0.000 0.616 55 A CB -1.053 17.785 19.000 -0.270 0.000 0.823 55 A HN 0.606 nan 8.150 nan 0.000 0.442 56 T N -3.341 111.023 114.554 -0.316 0.000 3.113 56 T HA 0.074 4.410 4.350 -0.023 0.000 0.256 56 T C 0.751 175.327 174.700 -0.207 0.000 1.131 56 T CA 0.804 62.711 62.100 -0.322 0.000 1.074 56 T CB -0.743 67.805 68.868 -0.533 0.000 0.944 56 T HN 0.189 nan 8.240 nan 0.000 0.516 57 T N 2.624 117.085 114.554 -0.155 0.000 2.831 57 T HA 0.411 4.747 4.350 -0.023 0.000 0.291 57 T C 1.357 176.037 174.700 -0.035 0.000 0.981 57 T CA 1.032 63.084 62.100 -0.080 0.000 1.174 57 T CB -0.161 68.706 68.868 -0.001 0.000 0.929 57 T HN 0.802 nan 8.240 nan 0.000 0.532 58 G N 3.134 111.916 108.800 -0.029 0.000 2.132 58 G HA2 -0.275 3.671 3.960 -0.023 0.000 0.234 58 G HA3 -0.275 3.671 3.960 -0.023 0.000 0.234 58 G C 0.619 175.506 174.900 -0.023 0.000 0.989 58 G CA 0.237 45.329 45.100 -0.012 0.000 0.676 58 G HN 0.992 nan 8.290 nan 0.000 0.522 59 T N -2.130 112.397 114.554 -0.044 0.000 3.273 59 T HA 0.509 4.845 4.350 -0.023 0.000 0.254 59 T C 1.931 176.621 174.700 -0.017 0.000 1.002 59 T CA 0.962 63.035 62.100 -0.044 0.000 0.913 59 T CB 0.797 69.612 68.868 -0.087 0.000 1.056 59 T HN 0.982 nan 8.240 nan 0.000 0.576 60 G N 1.714 110.514 108.800 -0.001 0.000 2.448 60 G HA2 -0.132 3.814 3.960 -0.023 0.000 0.218 60 G HA3 -0.132 3.814 3.960 -0.023 0.000 0.218 60 G C 1.591 176.504 174.900 0.022 0.000 1.135 60 G CA 1.152 46.265 45.100 0.021 0.000 0.784 60 G HN 0.621 nan 8.290 nan 0.000 0.543 61 T N -1.010 113.552 114.554 0.012 0.000 2.896 61 T HA 0.174 4.510 4.350 -0.023 0.000 0.263 61 T C 1.468 176.176 174.700 0.013 0.000 1.050 61 T CA 0.136 62.242 62.100 0.011 0.000 1.140 61 T CB -0.168 68.704 68.868 0.006 0.000 0.877 61 T HN 0.108 nan 8.240 nan 0.000 0.457 62 M N 2.141 121.744 119.600 0.006 0.000 2.240 62 M HA 0.307 4.773 4.480 -0.023 0.000 0.333 62 M C -2.268 174.046 176.300 0.022 0.000 1.110 62 M CA -1.976 53.326 55.300 0.003 0.000 1.173 62 M CB 0.689 33.277 32.600 -0.020 0.000 1.458 62 M HN 0.043 nan 8.290 nan 0.000 0.458 63 P HA -0.032 nan 4.420 nan 0.000 0.267 63 P C 0.050 177.399 177.300 0.080 0.000 1.209 63 P CA 0.114 63.250 63.100 0.061 0.000 0.763 63 P CB 0.179 31.903 31.700 0.041 0.000 0.816 64 F N 4.382 124.317 119.950 -0.025 0.000 2.063 64 F HA -0.297 4.216 4.527 -0.023 0.000 0.298 64 F C 2.184 177.963 175.800 -0.036 0.000 1.105 64 F CA 2.753 60.733 58.000 -0.032 0.000 1.215 64 F CB -0.989 37.993 39.000 -0.029 0.000 0.972 64 F HN 0.406 nan 8.300 nan 0.000 0.483 65 G N 0.488 109.336 108.800 0.080 0.000 2.739 65 G HA2 -0.335 3.612 3.960 -0.023 0.000 0.216 65 G HA3 -0.335 3.612 3.960 -0.023 0.000 0.216 65 G C 1.489 176.317 174.900 -0.120 0.000 1.298 65 G CA 1.529 46.610 45.100 -0.033 0.000 0.804 65 G HN 0.298 nan 8.290 nan 0.000 0.623 66 M N 1.462 121.024 119.600 -0.062 0.000 2.108 66 M HA -0.088 4.378 4.480 -0.023 0.000 0.257 66 M C 2.867 179.097 176.300 -0.116 0.000 1.071 66 M CA 1.091 56.349 55.300 -0.071 0.000 1.093 66 M CB -1.753 30.823 32.600 -0.041 0.000 1.345 66 M HN 0.352 nan 8.290 nan 0.000 0.403 67 A N -0.364 122.365 122.820 -0.152 0.000 1.877 67 A HA -0.157 4.150 4.320 -0.023 0.000 0.216 67 A C 2.311 179.755 177.584 -0.234 0.000 1.186 67 A CA 1.708 53.633 52.037 -0.185 0.000 0.620 67 A CB -0.428 18.456 19.000 -0.193 0.000 0.822 67 A HN 0.303 nan 8.150 nan 0.000 0.443 68 K N -0.685 119.524 120.400 -0.319 0.000 2.103 68 K HA 0.043 4.350 4.320 -0.023 0.000 0.204 68 K C 1.744 178.239 176.600 -0.175 0.000 1.052 68 K CA 0.594 56.708 56.287 -0.288 0.000 0.945 68 K CB -0.738 31.442 32.500 -0.532 0.000 0.722 68 K HN 0.359 nan 8.250 nan 0.000 0.443 69 L N 0.501 121.626 121.223 -0.163 0.000 1.971 69 L HA -0.178 4.148 4.340 -0.023 0.000 0.215 69 L C 1.919 178.737 176.870 -0.087 0.000 1.072 69 L CA 1.658 56.433 54.840 -0.107 0.000 0.758 69 L CB -0.842 41.169 42.059 -0.079 0.000 0.889 69 L HN -0.041 nan 8.230 nan 0.000 0.433 70 V N 0.018 119.874 119.914 -0.097 0.000 2.392 70 V HA -0.250 3.856 4.120 -0.023 0.000 0.249 70 V C 2.592 178.612 176.094 -0.123 0.000 1.059 70 V CA 1.702 63.940 62.300 -0.103 0.000 1.051 70 V CB -1.750 30.007 31.823 -0.110 0.000 0.658 70 V HN 0.647 nan 8.190 nan 0.000 0.455 71 G N 0.333 109.070 108.800 -0.105 0.000 2.511 71 G HA2 -0.192 3.754 3.960 -0.023 0.000 0.216 71 G HA3 -0.192 3.754 3.960 -0.023 0.000 0.216 71 G C 1.678 176.680 174.900 0.169 0.000 1.218 71 G CA 1.031 46.140 45.100 0.014 0.000 0.788 71 G HN 0.577 nan 8.290 nan 0.000 0.560 72 G N 1.025 109.853 108.800 0.047 0.000 2.513 72 G HA2 -0.257 3.689 3.960 -0.023 0.000 0.219 72 G HA3 -0.257 3.689 3.960 -0.023 0.000 0.219 72 G C 1.802 176.712 174.900 0.016 0.000 1.160 72 G CA 1.003 46.050 45.100 -0.088 0.000 0.767 72 G HN 0.455 nan 8.290 nan 0.000 0.571 73 I N 0.375 120.940 120.570 -0.008 0.000 2.118 73 I HA -0.288 3.868 4.170 -0.023 0.000 0.241 73 I C 2.906 179.021 176.117 -0.003 0.000 1.070 73 I CA 1.232 62.538 61.300 0.010 0.000 1.327 73 I CB -0.510 37.483 38.000 -0.012 0.000 1.034 73 I HN 0.214 nan 8.210 nan 0.000 0.405 74 C N 0.116 119.325 119.300 -0.152 0.000 2.411 74 C HA -0.219 4.227 4.460 -0.023 0.000 0.279 74 C C 2.721 177.674 174.990 -0.062 0.000 1.288 74 C CA 0.531 59.281 59.018 -0.445 0.000 1.764 74 C CB -1.276 25.687 27.740 -1.296 0.000 1.974 74 C HN 0.526 nan 8.230 nan 0.000 0.498 75 F N 2.606 122.496 119.950 -0.101 0.000 2.293 75 F HA -0.129 4.384 4.527 -0.024 0.000 0.300 75 F C 2.562 178.353 175.800 -0.015 0.000 1.086 75 F CA 1.616 59.588 58.000 -0.047 0.000 1.375 75 F CB -0.220 38.653 39.000 -0.210 0.000 1.045 75 F HN 0.282 nan 8.300 nan 0.000 0.516 76 S N 0.708 116.480 115.700 0.121 0.000 2.419 76 S HA -0.199 4.258 4.470 -0.023 0.000 0.233 76 S C 2.209 176.783 174.600 -0.042 0.000 1.016 76 S CA 1.013 59.253 58.200 0.067 0.000 0.974 76 S CB -1.079 62.182 63.200 0.103 0.000 0.786 76 S HN 0.522 nan 8.310 nan 0.000 0.492 77 L N 2.031 123.245 121.223 -0.014 0.000 2.137 77 L HA -0.124 4.202 4.340 -0.023 0.000 0.213 77 L C 2.256 179.011 176.870 -0.192 0.000 1.085 77 L CA 2.331 57.135 54.840 -0.061 0.000 0.760 77 L CB -1.857 40.241 42.059 0.065 0.000 0.893 77 L HN 0.520 nan 8.230 nan 0.000 0.434 78 G N 0.022 108.654 108.800 -0.280 0.000 2.414 78 G HA2 -0.298 3.648 3.960 -0.023 0.000 0.215 78 G HA3 -0.298 3.648 3.960 -0.023 0.000 0.215 78 G C 1.530 176.302 174.900 -0.213 0.000 1.188 78 G CA 0.729 45.630 45.100 -0.330 0.000 0.783 78 G HN 0.389 nan 8.290 nan 0.000 0.537 79 L N 0.630 121.750 121.223 -0.171 0.000 2.141 79 L HA 0.162 4.488 4.340 -0.023 0.000 0.209 79 L C 2.628 179.450 176.870 -0.080 0.000 1.094 79 L CA 1.017 55.811 54.840 -0.077 0.000 0.763 79 L CB -0.305 41.744 42.059 -0.017 0.000 0.908 79 L HN 0.257 nan 8.230 nan 0.000 0.437 80 I N -1.863 118.633 120.570 -0.124 0.000 2.133 80 I HA -0.301 3.856 4.170 -0.023 0.000 0.238 80 I C 2.216 178.209 176.117 -0.207 0.000 1.074 80 I CA 0.700 61.903 61.300 -0.161 0.000 1.342 80 I CB -0.331 37.550 38.000 -0.200 0.000 1.053 80 I HN 0.184 nan 8.210 nan 0.000 0.404 81 L N 0.371 121.403 121.223 -0.319 0.000 2.010 81 L HA -0.353 3.973 4.340 -0.023 0.000 0.219 81 L C 2.706 179.388 176.870 -0.312 0.000 1.077 81 L CA 1.859 56.358 54.840 -0.568 0.000 0.773 81 L CB -1.237 40.161 42.059 -1.102 0.000 0.892 81 L HN 0.417 nan 8.230 nan 0.000 0.436 82 C N -1.968 117.308 119.300 -0.041 0.000 2.393 82 C HA -0.180 4.266 4.460 -0.023 0.000 0.276 82 C C 2.805 177.861 174.990 0.109 0.000 1.215 82 C CA 1.029 60.174 59.018 0.211 0.000 1.743 82 C CB -0.697 27.128 27.740 0.141 0.000 2.044 82 C HN 0.414 nan 8.230 nan 0.000 0.464 83 V N 0.207 120.139 119.914 0.031 0.000 2.229 83 V HA -0.147 3.960 4.120 -0.023 0.000 0.243 83 V C 2.144 178.249 176.094 0.017 0.000 1.042 83 V CA 2.008 64.328 62.300 0.033 0.000 1.000 83 V CB -0.605 31.228 31.823 0.017 0.000 0.637 83 V HN 0.421 nan 8.190 nan 0.000 0.446 84 V N -1.075 118.817 119.914 -0.036 0.000 3.398 84 V HA -0.205 3.901 4.120 -0.023 0.000 0.275 84 V C 1.572 177.648 176.094 -0.029 0.000 1.207 84 V CA 1.552 63.821 62.300 -0.051 0.000 1.189 84 V CB -1.045 30.712 31.823 -0.109 0.000 0.838 84 V HN 0.716 nan 8.190 nan 0.000 0.546 85 C N -0.857 118.456 119.300 0.022 0.000 3.882 85 C HA 0.528 4.974 4.460 -0.023 0.000 0.340 85 C C 1.785 176.851 174.990 0.128 0.000 1.563 85 C CA -0.057 59.011 59.018 0.083 0.000 1.870 85 C CB 0.064 27.888 27.740 0.141 0.000 2.795 85 C HN 0.694 nan 8.230 nan 0.000 0.692 86 G N 1.633 110.500 108.800 0.112 0.000 2.137 86 G HA2 -0.000 3.946 3.960 -0.023 0.000 0.237 86 G HA3 -0.000 3.946 3.960 -0.023 0.000 0.237 86 G C 0.088 175.048 174.900 0.099 0.000 1.002 86 G CA 0.433 45.592 45.100 0.098 0.000 0.702 86 G HN 0.972 nan 8.290 nan 0.000 0.515 87 A N -0.431 122.469 122.820 0.134 0.000 2.332 87 A HA 0.573 4.879 4.320 -0.023 0.000 0.258 87 A C 0.240 177.854 177.584 0.050 0.000 1.087 87 A CA 0.376 52.443 52.037 0.050 0.000 0.802 87 A CB 0.587 19.575 19.000 -0.021 0.000 1.042 87 A HN 0.404 nan 8.150 nan 0.000 0.489 88 D N 1.035 121.444 120.400 0.015 0.000 2.412 88 D HA 0.403 5.029 4.640 -0.023 0.000 0.224 88 D C -1.244 175.087 176.300 0.052 0.000 1.093 88 D CA -0.111 53.917 54.000 0.047 0.000 0.850 88 D CB 0.629 41.461 40.800 0.053 0.000 1.046 88 D HN 0.276 nan 8.370 nan 0.000 0.507 89 L N 6.010 127.281 121.223 0.080 0.000 2.262 89 L HA 0.411 4.737 4.340 -0.023 0.000 0.288 89 L C -0.549 176.417 176.870 0.160 0.000 1.035 89 L CA -0.807 54.105 54.840 0.120 0.000 0.820 89 L CB 0.474 42.599 42.059 0.110 0.000 1.204 89 L HN 0.302 nan 8.230 nan 0.000 0.424 90 F N 6.265 126.242 119.950 0.045 0.000 2.276 90 F HA -0.083 4.432 4.527 -0.021 0.000 0.428 90 F C 1.501 177.246 175.800 -0.091 0.000 0.915 90 F CA 1.585 59.580 58.000 -0.008 0.000 1.051 90 F CB -0.113 38.921 39.000 0.056 0.000 0.847 90 F HN 0.972 nan 8.300 nan 0.000 0.511 91 T N -0.047 114.066 114.554 -0.735 0.000 7.679 91 T HA -0.371 3.965 4.350 -0.023 0.000 0.300 91 T C 1.414 176.000 174.700 -0.190 0.000 2.098 91 T CA 1.462 63.172 62.100 -0.650 0.000 3.313 91 T CB -2.519 65.660 68.868 -1.148 0.000 1.898 91 T HN 1.243 nan 8.240 nan 0.000 1.144 92 S N 1.772 117.431 115.700 -0.069 0.000 2.402 92 S HA -0.143 4.314 4.470 -0.023 0.000 0.233 92 S C 1.851 176.465 174.600 0.023 0.000 1.030 92 S CA 1.833 60.034 58.200 0.002 0.000 1.003 92 S CB -1.220 62.003 63.200 0.037 0.000 0.813 92 S HN 1.297 nan 8.310 nan 0.000 0.477 93 T N -0.954 113.621 114.554 0.036 0.000 3.122 93 T HA 0.339 4.675 4.350 -0.023 0.000 0.250 93 T C 1.379 176.099 174.700 0.033 0.000 1.067 93 T CA 0.261 62.392 62.100 0.050 0.000 0.966 93 T CB 0.076 68.981 68.868 0.062 0.000 1.002 93 T HN 0.174 nan 8.240 nan 0.000 0.542 94 V N 1.777 121.718 119.914 0.044 0.000 2.313 94 V HA -0.202 3.904 4.120 -0.023 0.000 0.253 94 V C 2.295 178.367 176.094 -0.036 0.000 1.070 94 V CA 1.866 64.203 62.300 0.062 0.000 1.057 94 V CB -0.544 31.344 31.823 0.108 0.000 0.653 94 V HN 0.614 nan 8.190 nan 0.000 0.450 95 L N -1.285 119.871 121.223 -0.111 0.000 2.093 95 L HA -0.156 4.170 4.340 -0.023 0.000 0.208 95 L C 2.336 178.989 176.870 -0.361 0.000 1.085 95 L CA 1.605 56.257 54.840 -0.313 0.000 0.755 95 L CB -0.416 41.337 42.059 -0.510 0.000 0.904 95 L HN 0.321 nan 8.230 nan 0.000 0.435 96 I N -0.935 119.527 120.570 -0.179 0.000 2.202 96 I HA -0.237 3.919 4.170 -0.023 0.000 0.242 96 I C 2.413 178.435 176.117 -0.158 0.000 1.091 96 I CA 1.086 62.264 61.300 -0.202 0.000 1.368 96 I CB -0.434 37.432 38.000 -0.224 0.000 1.058 96 I HN -0.098 nan 8.210 nan 0.000 0.410 97 V N -0.179 119.683 119.914 -0.086 0.000 2.324 97 V HA -0.286 3.820 4.120 -0.023 0.000 0.250 97 V C 2.456 178.508 176.094 -0.070 0.000 1.060 97 V CA 1.698 63.968 62.300 -0.051 0.000 1.042 97 V CB -0.532 31.281 31.823 -0.017 0.000 0.650 97 V HN 0.265 nan 8.190 nan 0.000 0.450 98 V N -0.176 119.680 119.914 -0.097 0.000 2.358 98 V HA -0.237 3.869 4.120 -0.023 0.000 0.246 98 V C 2.648 178.670 176.094 -0.120 0.000 1.047 98 V CA 1.965 64.201 62.300 -0.107 0.000 1.035 98 V CB -0.862 30.900 31.823 -0.102 0.000 0.658 98 V HN 0.572 nan 8.190 nan 0.000 0.452 99 A N -0.417 122.314 122.820 -0.148 0.000 1.865 99 A HA -0.277 4.029 4.320 -0.023 0.000 0.217 99 A C 2.275 179.865 177.584 0.010 0.000 1.191 99 A CA 2.215 54.214 52.037 -0.063 0.000 0.623 99 A CB -0.502 18.506 19.000 0.013 0.000 0.826 99 A HN 0.530 nan 8.150 nan 0.000 0.444 100 K N -0.511 119.895 120.400 0.010 0.000 1.991 100 K HA -0.086 4.220 4.320 -0.023 0.000 0.212 100 K C 1.985 178.590 176.600 0.007 0.000 1.049 100 K CA 1.210 57.523 56.287 0.043 0.000 0.932 100 K CB -0.395 32.130 32.500 0.042 0.000 0.717 100 K HN 0.417 nan 8.250 nan 0.000 0.441 101 A N 0.954 123.759 122.820 -0.025 0.000 2.292 101 A HA -0.084 4.223 4.320 -0.023 0.000 0.209 101 A C 0.761 178.307 177.584 -0.064 0.000 1.209 101 A CA 1.157 53.167 52.037 -0.044 0.000 0.746 101 A CB -0.605 18.359 19.000 -0.060 0.000 0.764 101 A HN 0.332 nan 8.150 nan 0.000 0.492 102 S N -3.739 111.930 115.700 -0.052 0.000 3.143 102 S HA -0.252 4.205 4.470 -0.023 0.000 0.291 102 S C 1.715 176.237 174.600 -0.129 0.000 1.294 102 S CA 1.525 59.687 58.200 -0.063 0.000 1.115 102 S CB -1.718 61.454 63.200 -0.045 0.000 1.318 102 S HN 2.430 nan 8.310 nan 0.000 0.685 103 G N 0.569 109.264 108.800 -0.175 0.000 2.259 103 G HA2 -0.295 3.651 3.960 -0.023 0.000 0.217 103 G HA3 -0.295 3.651 3.960 -0.023 0.000 0.217 103 G C -0.060 174.643 174.900 -0.329 0.000 1.001 103 G CA 0.269 45.174 45.100 -0.325 0.000 0.627 103 G HN 0.766 nan 8.290 nan 0.000 0.501 104 R N 0.691 121.074 120.500 -0.196 0.000 2.408 104 R HA 0.724 5.050 4.340 -0.023 0.000 0.308 104 R C -0.795 175.440 176.300 -0.109 0.000 1.210 104 R CA -0.315 55.697 56.100 -0.147 0.000 1.115 104 R CB -0.281 29.953 30.300 -0.111 0.000 1.127 104 R HN 0.450 nan 8.270 nan 0.000 0.523 105 I N 2.125 122.633 120.570 -0.105 0.000 2.731 105 I HA 0.123 4.279 4.170 -0.023 0.000 0.289 105 I C -0.969 175.050 176.117 -0.163 0.000 1.399 105 I CA -0.337 60.895 61.300 -0.113 0.000 1.048 105 I CB 2.459 40.394 38.000 -0.108 0.000 1.345 105 I HN 0.483 nan 8.210 nan 0.000 0.425 106 T N 5.827 120.289 114.554 -0.153 0.000 2.913 106 T HA 0.188 4.524 4.350 -0.023 0.000 0.287 106 T C 0.834 175.445 174.700 -0.147 0.000 1.008 106 T CA -0.110 61.882 62.100 -0.180 0.000 1.067 106 T CB 0.749 69.557 68.868 -0.100 0.000 0.996 106 T HN 0.646 nan 8.240 nan 0.000 0.513 107 W N 2.880 124.083 121.300 -0.161 0.000 2.338 107 W HA -0.011 4.641 4.660 -0.014 0.000 0.304 107 W C 2.438 178.798 176.519 -0.266 0.000 1.212 107 W CA 1.526 58.736 57.345 -0.225 0.000 1.264 107 W CB -1.216 28.123 29.460 -0.201 0.000 1.142 107 W HN 0.977 nan 8.180 nan 0.000 0.512 108 G N -0.159 108.661 108.800 0.032 0.000 2.450 108 G HA2 -0.280 3.666 3.960 -0.023 0.000 0.220 108 G HA3 -0.280 3.666 3.960 -0.023 0.000 0.220 108 G C 1.484 176.320 174.900 -0.108 0.000 1.130 108 G CA 0.818 45.886 45.100 -0.052 0.000 0.760 108 G HN 0.310 nan 8.290 nan 0.000 0.557 109 Q N -0.617 119.122 119.800 -0.102 0.000 2.123 109 Q HA 0.156 4.483 4.340 -0.023 0.000 0.199 109 Q C 2.618 178.514 176.000 -0.174 0.000 0.966 109 Q CA 0.466 56.200 55.803 -0.116 0.000 0.845 109 Q CB -0.140 28.542 28.738 -0.093 0.000 0.907 109 Q HN 0.431 nan 8.270 nan 0.000 0.439 110 L N -0.235 120.853 121.223 -0.224 0.000 2.201 110 L HA -0.125 4.201 4.340 -0.023 0.000 0.212 110 L C 2.000 178.428 176.870 -0.736 0.000 1.105 110 L CA 0.864 55.499 54.840 -0.342 0.000 0.775 110 L CB -0.119 41.782 42.059 -0.263 0.000 0.913 110 L HN 0.165 nan 8.230 nan 0.000 0.440 111 A N -0.306 122.072 122.820 -0.737 0.000 2.220 111 A HA -0.016 4.290 4.320 -0.023 0.000 0.211 111 A C 2.076 179.451 177.584 -0.347 0.000 1.176 111 A CA 0.139 51.592 52.037 -0.973 0.000 0.834 111 A CB -0.077 18.510 19.000 -0.688 0.000 0.868 111 A HN 0.394 nan 8.150 nan 0.000 0.488 112 K N 0.228 120.509 120.400 -0.197 0.000 2.001 112 K HA -0.212 4.094 4.320 -0.023 0.000 0.214 112 K C 1.284 177.919 176.600 0.060 0.000 1.050 112 K CA 1.903 58.164 56.287 -0.043 0.000 0.934 112 K CB -0.503 31.975 32.500 -0.037 0.000 0.718 112 K HN 0.205 nan 8.250 nan 0.000 0.443 113 N N -0.159 118.587 118.700 0.078 0.000 2.381 113 N HA -0.084 4.642 4.740 -0.023 0.000 0.182 113 N C 1.218 176.958 175.510 0.383 0.000 1.025 113 N CA 0.784 53.952 53.050 0.197 0.000 0.888 113 N CB -0.246 38.346 38.487 0.174 0.000 0.965 113 N HN 0.301 nan 8.380 nan 0.000 0.438 114 W N 1.392 122.788 121.300 0.159 0.000 2.280 114 W HA -0.180 4.466 4.660 -0.023 0.000 0.332 114 W C 2.184 178.932 176.519 0.381 0.000 1.300 114 W CA 0.766 58.281 57.345 0.282 0.000 1.274 114 W CB -1.290 28.306 29.460 0.227 0.000 1.141 114 W HN 0.134 nan 8.180 nan 0.000 0.474 115 L N 0.332 121.846 121.223 0.484 0.000 2.083 115 L HA -0.267 4.060 4.340 -0.023 0.000 0.209 115 L C 2.293 179.406 176.870 0.405 0.000 1.083 115 L CA 2.188 57.233 54.840 0.342 0.000 0.752 115 L CB -0.717 41.475 42.059 0.221 0.000 0.899 115 L HN 0.001 nan 8.230 nan 0.000 0.433 116 N N -0.598 118.327 118.700 0.375 0.000 2.084 116 N HA -0.184 4.543 4.740 -0.023 0.000 0.190 116 N C 1.640 177.354 175.510 0.341 0.000 1.030 116 N CA 2.015 55.301 53.050 0.394 0.000 0.849 116 N CB -0.247 38.426 38.487 0.309 0.000 1.012 116 N HN 0.192 nan 8.380 nan 0.000 0.423 117 V N 0.041 120.146 119.914 0.319 0.000 2.295 117 V HA -0.233 3.873 4.120 -0.023 0.000 0.246 117 V C 1.993 178.217 176.094 0.217 0.000 1.049 117 V CA 1.868 64.307 62.300 0.232 0.000 1.024 117 V CB -1.089 30.933 31.823 0.331 0.000 0.648 117 V HN 0.337 nan 8.190 nan 0.000 0.447 118 Y N 0.226 120.642 120.300 0.193 0.000 2.081 118 Y HA -0.322 4.214 4.550 -0.023 0.000 0.280 118 Y C 2.362 178.303 175.900 0.068 0.000 1.163 118 Y CA 2.310 60.397 58.100 -0.023 0.000 1.135 118 Y CB -0.523 37.791 38.460 -0.243 0.000 0.970 118 Y HN 0.275 nan 8.280 nan 0.000 0.498 119 F N 0.344 120.364 119.950 0.116 0.000 2.259 119 F HA 0.077 4.590 4.527 -0.023 0.000 0.298 119 F C 2.228 177.988 175.800 -0.067 0.000 1.088 119 F CA 1.277 59.326 58.000 0.082 0.000 1.358 119 F CB -1.051 38.099 39.000 0.250 0.000 1.040 119 F HN 0.035 nan 8.300 nan 0.000 0.505 120 G N 0.310 108.827 108.800 -0.472 0.000 2.418 120 G HA2 -0.312 3.634 3.960 -0.023 0.000 0.217 120 G HA3 -0.312 3.634 3.960 -0.023 0.000 0.217 120 G C 1.559 176.127 174.900 -0.553 0.000 1.158 120 G CA 0.906 45.291 45.100 -1.192 0.000 0.771 120 G HN 0.465 nan 8.290 nan 0.000 0.545 121 N N -0.152 118.372 118.700 -0.293 0.000 2.061 121 N HA -0.148 4.578 4.740 -0.023 0.000 0.193 121 N C 2.034 177.464 175.510 -0.133 0.000 1.030 121 N CA 1.079 54.021 53.050 -0.180 0.000 0.856 121 N CB -0.180 38.231 38.487 -0.127 0.000 1.023 121 N HN 0.217 nan 8.380 nan 0.000 0.424 122 L N 1.088 122.245 121.223 -0.109 0.000 1.989 122 L HA -0.118 4.208 4.340 -0.023 0.000 0.211 122 L C 2.011 178.913 176.870 0.053 0.000 1.071 122 L CA 1.454 56.298 54.840 0.008 0.000 0.749 122 L CB -0.766 41.376 42.059 0.138 0.000 0.890 122 L HN 0.008 nan 8.230 nan 0.000 0.431 123 V N 0.232 120.147 119.914 0.003 0.000 2.332 123 V HA -0.267 3.839 4.120 -0.023 0.000 0.248 123 V C 2.620 178.714 176.094 -0.001 0.000 1.055 123 V CA 1.842 64.147 62.300 0.008 0.000 1.038 123 V CB -1.591 30.187 31.823 -0.075 0.000 0.651 123 V HN 0.667 nan 8.190 nan 0.000 0.450 124 G N -0.577 108.177 108.800 -0.075 0.000 2.446 124 G HA2 -0.238 3.708 3.960 -0.023 0.000 0.217 124 G HA3 -0.238 3.708 3.960 -0.023 0.000 0.217 124 G C 1.748 176.676 174.900 0.046 0.000 1.168 124 G CA 1.113 46.180 45.100 -0.055 0.000 0.771 124 G HN 0.629 nan 8.290 nan 0.000 0.551 125 A N 0.302 123.168 122.820 0.076 0.000 1.897 125 A HA 0.207 4.513 4.320 -0.023 0.000 0.215 125 A C 2.432 180.196 177.584 0.301 0.000 1.181 125 A CA 1.009 53.172 52.037 0.210 0.000 0.620 125 A CB -0.318 18.812 19.000 0.216 0.000 0.821 125 A HN 0.333 nan 8.150 nan 0.000 0.443 126 L N -0.534 120.799 121.223 0.184 0.000 2.056 126 L HA -0.162 4.164 4.340 -0.023 0.000 0.207 126 L C 2.564 179.518 176.870 0.141 0.000 1.078 126 L CA 1.087 56.011 54.840 0.141 0.000 0.749 126 L CB -0.703 41.416 42.059 0.100 0.000 0.901 126 L HN 0.388 nan 8.230 nan 0.000 0.433 127 L N -1.273 120.034 121.223 0.141 0.000 2.043 127 L HA -0.282 4.044 4.340 -0.023 0.000 0.212 127 L C 2.580 179.571 176.870 0.202 0.000 1.075 127 L CA 1.411 56.332 54.840 0.135 0.000 0.752 127 L CB -0.557 41.572 42.059 0.115 0.000 0.891 127 L HN 0.154 nan 8.230 nan 0.000 0.432 128 F N -0.161 119.851 119.950 0.104 0.000 2.146 128 F HA -0.156 4.358 4.527 -0.022 0.000 0.298 128 F C 2.313 178.286 175.800 0.287 0.000 1.096 128 F CA 1.049 59.130 58.000 0.136 0.000 1.275 128 F CB -0.321 38.708 39.000 0.049 0.000 1.008 128 F HN -0.281 nan 8.300 nan 0.000 0.480 129 V N 0.292 120.486 119.914 0.467 0.000 2.250 129 V HA -0.342 3.764 4.120 -0.023 0.000 0.250 129 V C 2.429 178.584 176.094 0.102 0.000 1.060 129 V CA 1.926 64.396 62.300 0.284 0.000 1.030 129 V CB -0.940 30.923 31.823 0.067 0.000 0.643 129 V HN 0.346 nan 8.190 nan 0.000 0.445 130 L N -0.377 120.875 121.223 0.049 0.000 1.963 130 L HA -0.208 4.118 4.340 -0.023 0.000 0.220 130 L C 2.293 179.183 176.870 0.033 0.000 1.076 130 L CA 2.419 57.269 54.840 0.017 0.000 0.772 130 L CB -1.247 40.813 42.059 0.002 0.000 0.892 130 L HN 0.354 nan 8.230 nan 0.000 0.435 131 L N -1.296 119.904 121.223 -0.038 0.000 2.042 131 L HA -0.240 4.086 4.340 -0.023 0.000 0.210 131 L C 2.409 179.180 176.870 -0.166 0.000 1.076 131 L CA 1.953 56.730 54.840 -0.105 0.000 0.749 131 L CB -0.619 41.346 42.059 -0.157 0.000 0.893 131 L HN 0.357 nan 8.230 nan 0.000 0.432 132 M N -1.183 118.276 119.600 -0.234 0.000 2.108 132 M HA -0.255 4.211 4.480 -0.023 0.000 0.261 132 M C 1.974 178.217 176.300 -0.095 0.000 1.066 132 M CA 1.670 56.844 55.300 -0.210 0.000 1.107 132 M CB -1.230 31.326 32.600 -0.073 0.000 1.356 132 M HN 0.628 nan 8.290 nan 0.000 0.406 133 W N 0.249 121.434 121.300 -0.192 0.000 2.379 133 W HA -0.171 4.475 4.660 -0.023 0.000 0.307 133 W C 1.700 178.093 176.519 -0.211 0.000 1.200 133 W CA 1.154 58.362 57.345 -0.228 0.000 1.297 133 W CB -0.530 28.777 29.460 -0.254 0.000 1.140 133 W HN 0.180 nan 8.180 nan 0.000 0.507 134 L N 1.826 123.015 121.223 -0.058 0.000 2.131 134 L HA -0.246 4.080 4.340 -0.023 0.000 0.210 134 L C 2.817 179.547 176.870 -0.234 0.000 1.092 134 L CA 1.797 56.556 54.840 -0.135 0.000 0.759 134 L CB -1.177 40.872 42.059 -0.016 0.000 0.903 134 L HN -0.000 nan 8.230 nan 0.000 0.435 135 S N 0.125 115.689 115.700 -0.226 0.000 2.507 135 S HA -0.029 4.428 4.470 -0.023 0.000 0.235 135 S C 1.565 175.992 174.600 -0.288 0.000 0.988 135 S CA 0.477 58.540 58.200 -0.229 0.000 0.944 135 S CB -0.499 62.567 63.200 -0.223 0.000 0.762 135 S HN 0.576 nan 8.310 nan 0.000 0.526 136 G N 1.167 109.719 108.800 -0.413 0.000 2.272 136 G HA2 -0.306 3.640 3.960 -0.023 0.000 0.280 136 G HA3 -0.306 3.640 3.960 -0.023 0.000 0.280 136 G C 0.283 175.008 174.900 -0.292 0.000 1.067 136 G CA 0.555 45.398 45.100 -0.429 0.000 0.902 136 G HN 0.616 nan 8.290 nan 0.000 0.500 137 E N -0.435 119.535 120.200 -0.382 0.000 2.274 137 E HA -0.069 4.267 4.350 -0.023 0.000 0.194 137 E C 2.118 178.431 176.600 -0.477 0.000 0.996 137 E CA 1.609 57.666 56.400 -0.571 0.000 0.840 137 E CB -0.283 28.881 29.700 -0.894 0.000 0.772 137 E HN 0.953 nan 8.360 nan 0.000 0.491 138 Y N -0.510 119.530 120.300 -0.433 0.000 2.256 138 Y HA -0.110 4.426 4.550 -0.023 0.000 0.288 138 Y C 1.484 177.282 175.900 -0.170 0.000 1.155 138 Y CA 0.938 58.935 58.100 -0.171 0.000 1.203 138 Y CB -0.733 37.532 38.460 -0.326 0.000 0.980 138 Y HN 0.041 nan 8.280 nan 0.000 0.530 139 M N 0.703 120.001 119.600 -0.504 0.000 2.619 139 M HA 0.029 4.495 4.480 -0.023 0.000 0.251 139 M C 0.432 176.627 176.300 -0.174 0.000 1.106 139 M CA 0.365 55.395 55.300 -0.449 0.000 1.086 139 M CB -1.467 30.875 32.600 -0.430 0.000 1.465 139 M HN 0.135 nan 8.290 nan 0.000 0.506 140 T N 1.667 116.132 114.554 -0.148 0.000 2.933 140 T HA 0.188 4.524 4.350 -0.023 0.000 0.306 140 T C 0.956 175.693 174.700 0.062 0.000 1.045 140 T CA 1.028 63.078 62.100 -0.083 0.000 1.143 140 T CB 0.293 69.023 68.868 -0.231 0.000 1.003 140 T HN 0.537 nan 8.240 nan 0.000 0.540 141 A N 4.512 127.357 122.820 0.042 0.000 2.905 141 A HA -0.251 4.055 4.320 -0.023 0.000 0.260 141 A C 0.947 178.559 177.584 0.047 0.000 1.398 141 A CA 1.284 53.359 52.037 0.064 0.000 0.840 141 A CB -2.551 16.520 19.000 0.117 0.000 1.059 141 A HN 1.280 nan 8.150 nan 0.000 0.647 142 N N -3.172 115.538 118.700 0.017 0.000 2.783 142 N HA -0.094 4.632 4.740 -0.023 0.000 0.247 142 N C 1.141 176.674 175.510 0.037 0.000 1.089 142 N CA 1.547 54.603 53.050 0.009 0.000 0.690 142 N CB -1.145 37.346 38.487 0.007 0.000 0.991 142 N HN 2.555 nan 8.380 nan 0.000 0.552 143 G N -0.895 107.949 108.800 0.074 0.000 2.241 143 G HA2 -0.350 3.597 3.960 -0.023 0.000 0.244 143 G HA3 -0.350 3.597 3.960 -0.023 0.000 0.244 143 G C 0.653 175.705 174.900 0.253 0.000 0.998 143 G CA 0.530 45.768 45.100 0.229 0.000 0.621 143 G HN 0.450 nan 8.290 nan 0.000 0.519 144 Q N -0.819 119.074 119.800 0.156 0.000 2.170 144 Q HA -0.075 4.251 4.340 -0.023 0.000 0.203 144 Q C 1.989 178.084 176.000 0.158 0.000 0.976 144 Q CA 1.914 57.795 55.803 0.130 0.000 0.858 144 Q CB -0.229 28.560 28.738 0.086 0.000 0.907 144 Q HN 0.831 nan 8.270 nan 0.000 0.433 145 W N 0.740 122.060 121.300 0.033 0.000 2.381 145 W HA -0.132 4.514 4.660 -0.023 0.000 0.323 145 W C 2.323 178.868 176.519 0.044 0.000 1.194 145 W CA 2.248 59.611 57.345 0.030 0.000 1.296 145 W CB -0.843 28.627 29.460 0.015 0.000 1.175 145 W HN 0.215 nan 8.180 nan 0.000 0.465 146 G N 0.705 109.817 108.800 0.519 0.000 2.503 146 G HA2 -0.350 3.596 3.960 -0.023 0.000 0.221 146 G HA3 -0.350 3.596 3.960 -0.023 0.000 0.221 146 G C 1.348 176.356 174.900 0.180 0.000 1.131 146 G CA 1.328 46.635 45.100 0.345 0.000 0.756 146 G HN 0.339 nan 8.290 nan 0.000 0.572 147 L N 1.090 122.459 121.223 0.244 0.000 2.056 147 L HA 0.007 4.333 4.340 -0.023 0.000 0.207 147 L C 2.327 179.200 176.870 0.005 0.000 1.078 147 L CA 2.007 56.947 54.840 0.167 0.000 0.749 147 L CB -0.738 41.419 42.059 0.163 0.000 0.901 147 L HN 0.175 nan 8.230 nan 0.000 0.433 148 N N -0.295 118.359 118.700 -0.077 0.000 2.091 148 N HA -0.200 4.526 4.740 -0.023 0.000 0.193 148 N C 1.799 177.170 175.510 -0.232 0.000 1.021 148 N CA 1.913 54.853 53.050 -0.183 0.000 0.862 148 N CB -0.280 38.013 38.487 -0.323 0.000 1.018 148 N HN 0.305 nan 8.380 nan 0.000 0.429 149 V N 1.294 121.024 119.914 -0.308 0.000 2.261 149 V HA -0.187 3.919 4.120 -0.023 0.000 0.246 149 V C 2.553 178.493 176.094 -0.256 0.000 1.047 149 V CA 1.223 63.334 62.300 -0.316 0.000 1.015 149 V CB -0.496 31.140 31.823 -0.311 0.000 0.642 149 V HN 0.277 nan 8.190 nan 0.000 0.446 150 L N -0.543 120.532 121.223 -0.246 0.000 2.012 150 L HA -0.288 4.038 4.340 -0.023 0.000 0.210 150 L C 2.728 179.340 176.870 -0.430 0.000 1.073 150 L CA 1.880 56.446 54.840 -0.457 0.000 0.748 150 L CB -0.564 41.105 42.059 -0.651 0.000 0.891 150 L HN 0.404 nan 8.230 nan 0.000 0.431 151 Q N -1.120 118.563 119.800 -0.196 0.000 2.079 151 Q HA -0.170 4.156 4.340 -0.023 0.000 0.200 151 Q C 2.185 178.187 176.000 0.003 0.000 0.974 151 Q CA 1.948 57.742 55.803 -0.015 0.000 0.840 151 Q CB -0.233 28.540 28.738 0.058 0.000 0.898 151 Q HN 0.430 nan 8.270 nan 0.000 0.430 152 T N 0.732 115.255 114.554 -0.052 0.000 2.746 152 T HA -0.154 4.182 4.350 -0.023 0.000 0.267 152 T C 1.853 176.547 174.700 -0.010 0.000 1.039 152 T CA 1.315 63.404 62.100 -0.018 0.000 1.142 152 T CB -0.233 68.605 68.868 -0.051 0.000 0.866 152 T HN 0.401 nan 8.240 nan 0.000 0.444 153 A N 1.115 123.868 122.820 -0.112 0.000 1.929 153 A HA -0.052 4.254 4.320 -0.023 0.000 0.216 153 A C 2.049 179.590 177.584 -0.073 0.000 1.176 153 A CA 1.840 53.803 52.037 -0.123 0.000 0.628 153 A CB -0.741 18.125 19.000 -0.223 0.000 0.816 153 A HN 0.501 nan 8.150 nan 0.000 0.444 154 D N -0.745 119.613 120.400 -0.070 0.000 2.106 154 D HA -0.276 4.350 4.640 -0.023 0.000 0.191 154 D C 1.746 178.048 176.300 0.004 0.000 0.997 154 D CA 1.914 55.904 54.000 -0.018 0.000 0.834 154 D CB -0.389 40.509 40.800 0.165 0.000 0.956 154 D HN 0.667 nan 8.370 nan 0.000 0.448 155 H N 0.042 119.136 119.070 0.040 0.000 2.431 155 H HA -0.092 4.450 4.556 -0.023 0.000 0.297 155 H C 1.740 176.983 175.328 -0.141 0.000 1.115 155 H CA 1.893 57.963 56.048 0.036 0.000 1.277 155 H CB 0.163 29.946 29.762 0.035 0.000 1.372 155 H HN 0.112 nan 8.280 nan 0.000 0.516 156 K N -0.126 120.217 120.400 -0.095 0.000 2.155 156 K HA -0.034 4.272 4.320 -0.023 0.000 0.203 156 K C 2.000 178.543 176.600 -0.095 0.000 1.052 156 K CA 1.250 57.497 56.287 -0.067 0.000 0.948 156 K CB 0.305 32.897 32.500 0.152 0.000 0.728 156 K HN 0.353 nan 8.250 nan 0.000 0.448 157 V N -1.674 118.149 119.914 -0.152 0.000 3.461 157 V HA -0.062 4.045 4.120 -0.023 0.000 0.267 157 V C 0.759 176.732 176.094 -0.203 0.000 1.186 157 V CA 0.982 63.210 62.300 -0.120 0.000 1.154 157 V CB -0.978 30.787 31.823 -0.097 0.000 0.802 157 V HN 0.234 nan 8.190 nan 0.000 0.474 158 H N -0.500 118.455 119.070 -0.192 0.000 2.610 158 H HA 0.325 4.867 4.556 -0.023 0.000 0.302 158 H C -0.002 175.182 175.328 -0.241 0.000 1.063 158 H CA -0.298 55.609 56.048 -0.235 0.000 1.159 158 H CB -0.139 29.456 29.762 -0.280 0.000 1.427 158 H HN 0.414 nan 8.280 nan 0.000 0.553 159 H N 0.866 119.937 119.070 0.002 0.000 2.473 159 H HA 0.083 4.625 4.556 -0.023 0.000 0.327 159 H C 0.461 175.812 175.328 0.038 0.000 1.105 159 H CA -0.499 55.545 56.048 -0.007 0.000 1.280 159 H CB 1.217 30.965 29.762 -0.024 0.000 1.450 159 H HN 0.301 nan 8.280 nan 0.000 0.492 160 T N 1.095 115.775 114.554 0.209 0.000 2.901 160 T HA -0.039 4.297 4.350 -0.023 0.000 0.301 160 T C 1.605 176.408 174.700 0.172 0.000 1.012 160 T CA -0.428 61.773 62.100 0.169 0.000 1.135 160 T CB 0.169 69.117 68.868 0.132 0.000 0.936 160 T HN 0.475 nan 8.240 nan 0.000 0.539 161 F N 3.137 123.114 119.950 0.045 0.000 2.085 161 F HA -0.169 4.344 4.527 -0.023 0.000 0.299 161 F C 1.927 177.730 175.800 0.005 0.000 1.096 161 F CA 1.976 59.990 58.000 0.022 0.000 1.227 161 F CB -0.279 38.728 39.000 0.013 0.000 0.983 161 F HN 0.677 nan 8.300 nan 0.000 0.482 162 I N -0.158 120.551 120.570 0.231 0.000 2.202 162 I HA -0.259 3.898 4.170 -0.023 0.000 0.242 162 I C 2.266 178.386 176.117 0.005 0.000 1.091 162 I CA 1.454 62.824 61.300 0.115 0.000 1.368 162 I CB -0.701 37.369 38.000 0.116 0.000 1.058 162 I HN 0.162 nan 8.210 nan 0.000 0.410 163 E N 1.225 121.431 120.200 0.011 0.000 2.086 163 E HA -0.303 4.033 4.350 -0.023 0.000 0.200 163 E C 2.325 178.827 176.600 -0.162 0.000 1.012 163 E CA 1.665 58.037 56.400 -0.046 0.000 0.812 163 E CB -0.303 29.397 29.700 0.000 0.000 0.743 163 E HN 0.578 nan 8.360 nan 0.000 0.453 164 A N 0.964 123.667 122.820 -0.194 0.000 1.930 164 A HA -0.097 4.209 4.320 -0.023 0.000 0.217 164 A C 2.532 179.983 177.584 -0.221 0.000 1.175 164 A CA 0.990 52.875 52.037 -0.253 0.000 0.627 164 A CB -0.477 18.393 19.000 -0.217 0.000 0.815 164 A HN 0.105 nan 8.150 nan 0.000 0.443 165 V N -0.691 119.079 119.914 -0.240 0.000 2.295 165 V HA -0.318 3.788 4.120 -0.023 0.000 0.246 165 V C 2.637 178.658 176.094 -0.121 0.000 1.049 165 V CA 2.126 64.309 62.300 -0.195 0.000 1.024 165 V CB -1.113 30.613 31.823 -0.160 0.000 0.648 165 V HN 0.702 nan 8.190 nan 0.000 0.447 166 C N -0.163 119.079 119.300 -0.097 0.000 2.422 166 C HA -0.073 4.373 4.460 -0.023 0.000 0.279 166 C C 2.618 177.546 174.990 -0.102 0.000 1.305 166 C CA 0.590 59.557 59.018 -0.085 0.000 1.757 166 C CB -1.201 26.505 27.740 -0.057 0.000 1.962 166 C HN 0.520 nan 8.230 nan 0.000 0.499 167 L N 0.891 122.067 121.223 -0.080 0.000 2.141 167 L HA -0.021 4.305 4.340 -0.023 0.000 0.209 167 L C 2.782 179.660 176.870 0.013 0.000 1.094 167 L CA 1.648 56.489 54.840 0.000 0.000 0.763 167 L CB -1.139 40.921 42.059 0.001 0.000 0.908 167 L HN 0.496 nan 8.230 nan 0.000 0.437 168 G N 0.387 109.164 108.800 -0.038 0.000 2.394 168 G HA2 -0.147 3.799 3.960 -0.023 0.000 0.215 168 G HA3 -0.147 3.799 3.960 -0.023 0.000 0.215 168 G C 1.604 176.468 174.900 -0.060 0.000 1.165 168 G CA 0.354 45.435 45.100 -0.031 0.000 0.784 168 G HN 0.207 nan 8.290 nan 0.000 0.535 169 I N 0.407 120.922 120.570 -0.092 0.000 2.099 169 I HA -0.191 3.966 4.170 -0.023 0.000 0.239 169 I C 2.720 178.748 176.117 -0.149 0.000 1.066 169 I CA 0.989 62.226 61.300 -0.106 0.000 1.324 169 I CB -0.328 37.611 38.000 -0.102 0.000 1.037 169 I HN 0.100 nan 8.210 nan 0.000 0.401 170 L N 0.436 121.513 121.223 -0.245 0.000 2.187 170 L HA -0.223 4.103 4.340 -0.023 0.000 0.213 170 L C 2.736 179.426 176.870 -0.299 0.000 1.100 170 L CA 1.154 55.724 54.840 -0.450 0.000 0.765 170 L CB -0.633 40.816 42.059 -1.018 0.000 0.904 170 L HN 0.284 nan 8.230 nan 0.000 0.437 171 A N 0.043 122.815 122.820 -0.080 0.000 1.841 171 A HA -0.224 4.082 4.320 -0.023 0.000 0.214 171 A C 2.087 179.535 177.584 -0.227 0.000 1.195 171 A CA 1.981 53.999 52.037 -0.031 0.000 0.611 171 A CB -0.615 18.461 19.000 0.127 0.000 0.835 171 A HN 0.381 nan 8.150 nan 0.000 0.443 172 N N -0.097 118.539 118.700 -0.107 0.000 2.381 172 N HA -0.019 4.708 4.740 -0.023 0.000 0.182 172 N C 1.544 176.998 175.510 -0.093 0.000 1.025 172 N CA 0.741 53.741 53.050 -0.084 0.000 0.888 172 N CB -0.402 38.047 38.487 -0.064 0.000 0.965 172 N HN 0.511 nan 8.380 nan 0.000 0.438 173 L N -0.296 120.870 121.223 -0.096 0.000 1.989 173 L HA -0.182 4.145 4.340 -0.023 0.000 0.211 173 L C 2.031 178.879 176.870 -0.037 0.000 1.071 173 L CA 0.985 55.788 54.840 -0.062 0.000 0.749 173 L CB -0.435 41.581 42.059 -0.072 0.000 0.890 173 L HN 0.221 nan 8.230 nan 0.000 0.431 174 M N -0.847 118.722 119.600 -0.051 0.000 2.229 174 M HA -0.101 4.365 4.480 -0.023 0.000 0.264 174 M C 2.330 178.601 176.300 -0.049 0.000 1.063 174 M CA 1.222 56.522 55.300 0.000 0.000 1.114 174 M CB -1.166 31.494 32.600 0.100 0.000 1.387 174 M HN 0.101 nan 8.290 nan 0.000 0.420 175 V N 0.098 119.910 119.914 -0.169 0.000 2.270 175 V HA -0.271 3.835 4.120 -0.023 0.000 0.245 175 V C 2.645 178.724 176.094 -0.024 0.000 1.043 175 V CA 1.784 63.998 62.300 -0.143 0.000 1.014 175 V CB -1.137 30.564 31.823 -0.204 0.000 0.645 175 V HN 0.472 nan 8.190 nan 0.000 0.447 176 C N -0.041 119.252 119.300 -0.011 0.000 2.413 176 C HA -0.118 4.328 4.460 -0.023 0.000 0.276 176 C C 2.708 177.767 174.990 0.115 0.000 1.248 176 C CA 0.781 59.821 59.018 0.036 0.000 1.742 176 C CB -1.233 26.507 27.740 -0.001 0.000 2.017 176 C HN 0.519 nan 8.230 nan 0.000 0.481 177 L N 0.989 122.275 121.223 0.105 0.000 2.083 177 L HA -0.158 4.168 4.340 -0.023 0.000 0.209 177 L C 2.878 179.859 176.870 0.186 0.000 1.083 177 L CA 1.524 56.471 54.840 0.179 0.000 0.752 177 L CB -0.801 41.337 42.059 0.131 0.000 0.899 177 L HN 0.369 nan 8.230 nan 0.000 0.433 178 A N -0.060 122.833 122.820 0.123 0.000 1.855 178 A HA -0.135 4.171 4.320 -0.023 0.000 0.215 178 A C 2.303 179.957 177.584 0.116 0.000 1.191 178 A CA 1.671 53.771 52.037 0.106 0.000 0.613 178 A CB -0.813 18.234 19.000 0.080 0.000 0.829 178 A HN 0.174 nan 8.150 nan 0.000 0.442 179 V N -1.160 118.829 119.914 0.126 0.000 2.332 179 V HA -0.301 3.805 4.120 -0.023 0.000 0.248 179 V C 2.258 178.492 176.094 0.232 0.000 1.055 179 V CA 1.931 64.319 62.300 0.146 0.000 1.038 179 V CB -1.119 30.782 31.823 0.131 0.000 0.651 179 V HN 0.819 nan 8.190 nan 0.000 0.450 180 W N 0.218 121.550 121.300 0.054 0.000 2.378 180 W HA -0.185 4.458 4.660 -0.028 0.000 0.313 180 W C 2.501 179.096 176.519 0.127 0.000 1.197 180 W CA 1.657 59.051 57.345 0.081 0.000 1.304 180 W CB -0.160 29.329 29.460 0.048 0.000 1.148 180 W HN 0.228 nan 8.180 nan 0.000 0.494 181 M N 0.431 120.039 119.600 0.013 0.000 2.267 181 M HA -0.236 4.231 4.480 -0.023 0.000 0.263 181 M C 2.392 178.628 176.300 -0.106 0.000 1.063 181 M CA 2.077 57.318 55.300 -0.098 0.000 1.090 181 M CB -0.656 31.957 32.600 0.023 0.000 1.392 181 M HN -0.020 nan 8.290 nan 0.000 0.422 182 S N -0.159 115.527 115.700 -0.023 0.000 2.414 182 S HA -0.165 4.291 4.470 -0.023 0.000 0.227 182 S C 1.816 176.396 174.600 -0.034 0.000 1.022 182 S CA 0.512 58.704 58.200 -0.014 0.000 0.958 182 S CB -0.439 62.778 63.200 0.028 0.000 0.797 182 S HN 0.587 nan 8.310 nan 0.000 0.493 183 Y N 3.167 123.354 120.300 -0.188 0.000 2.556 183 Y HA 0.041 4.575 4.550 -0.027 0.000 0.290 183 Y C 1.312 177.069 175.900 -0.238 0.000 1.149 183 Y CA 1.067 59.050 58.100 -0.195 0.000 1.329 183 Y CB -0.213 38.102 38.460 -0.241 0.000 0.975 183 Y HN 0.425 nan 8.280 nan 0.000 0.561 184 S N -0.902 114.576 115.700 -0.370 0.000 2.740 184 S HA 0.520 4.976 4.470 -0.023 0.000 0.244 184 S C 0.285 174.748 174.600 -0.230 0.000 1.101 184 S CA -0.222 57.744 58.200 -0.390 0.000 1.123 184 S CB 0.052 63.022 63.200 -0.384 0.000 1.012 184 S HN 0.393 nan 8.310 nan 0.000 0.491 185 G N 1.415 110.107 108.800 -0.179 0.000 2.356 185 G HA2 0.514 4.461 3.960 -0.023 0.000 0.322 185 G HA3 0.514 4.461 3.960 -0.023 0.000 0.322 185 G C 0.614 175.458 174.900 -0.093 0.000 1.125 185 G CA -0.865 44.171 45.100 -0.107 0.000 0.885 185 G HN 0.166 nan 8.290 nan 0.000 0.467 186 R N 1.667 122.128 120.500 -0.065 0.000 2.082 186 R HA 0.018 4.345 4.340 -0.023 0.000 0.218 186 R C 1.915 178.193 176.300 -0.037 0.000 1.171 186 R CA 0.861 56.929 56.100 -0.052 0.000 0.914 186 R CB -1.817 28.461 30.300 -0.037 0.000 0.806 186 R HN 0.623 nan 8.270 nan 0.000 0.453 187 S N 1.359 117.049 115.700 -0.016 0.000 2.580 187 S HA 0.020 4.476 4.470 -0.023 0.000 0.266 187 S C 1.488 176.083 174.600 -0.008 0.000 1.354 187 S CA -0.286 57.912 58.200 -0.002 0.000 1.008 187 S CB 0.509 63.723 63.200 0.023 0.000 0.898 187 S HN 0.363 nan 8.310 nan 0.000 0.555 188 L N 1.181 122.399 121.223 -0.008 0.000 2.046 188 L HA -0.055 4.271 4.340 -0.023 0.000 0.208 188 L C 2.468 179.321 176.870 -0.028 0.000 1.077 188 L CA 2.318 57.139 54.840 -0.031 0.000 0.747 188 L CB -0.889 41.151 42.059 -0.032 0.000 0.896 188 L HN 0.899 nan 8.230 nan 0.000 0.432 189 M N 0.079 119.716 119.600 0.062 0.000 2.113 189 M HA -0.317 4.149 4.480 -0.023 0.000 0.255 189 M C 1.680 178.109 176.300 0.214 0.000 1.073 189 M CA 2.622 58.067 55.300 0.241 0.000 1.091 189 M CB -0.545 32.215 32.600 0.267 0.000 1.309 189 M HN 0.379 nan 8.290 nan 0.000 0.407 190 D N -0.160 120.303 120.400 0.105 0.000 2.084 190 D HA -0.148 4.478 4.640 -0.023 0.000 0.194 190 D C 1.968 178.282 176.300 0.023 0.000 0.990 190 D CA 1.569 55.611 54.000 0.070 0.000 0.826 190 D CB -0.328 40.483 40.800 0.018 0.000 0.971 190 D HN 0.403 nan 8.370 nan 0.000 0.453 191 K N 0.110 120.497 120.400 -0.022 0.000 2.089 191 K HA -0.147 4.159 4.320 -0.023 0.000 0.210 191 K C 1.909 178.468 176.600 -0.070 0.000 1.048 191 K CA 1.581 57.839 56.287 -0.049 0.000 0.926 191 K CB -0.065 32.401 32.500 -0.058 0.000 0.714 191 K HN 0.113 nan 8.250 nan 0.000 0.448 192 A N -0.139 122.593 122.820 -0.147 0.000 1.862 192 A HA 0.028 4.334 4.320 -0.023 0.000 0.211 192 A C 1.744 179.195 177.584 -0.221 0.000 1.220 192 A CA 0.582 52.456 52.037 -0.271 0.000 0.616 192 A CB -0.552 18.131 19.000 -0.527 0.000 0.878 192 A HN 0.197 nan 8.150 nan 0.000 0.453 193 F N -0.324 119.625 119.950 -0.001 0.000 2.546 193 F HA -0.027 4.486 4.527 -0.023 0.000 0.298 193 F C 1.810 177.617 175.800 0.012 0.000 1.120 193 F CA 0.400 58.404 58.000 0.006 0.000 1.456 193 F CB -0.428 38.574 39.000 0.002 0.000 1.088 193 F HN 0.210 nan 8.300 nan 0.000 0.572 194 I N -0.255 120.405 120.570 0.149 0.000 2.439 194 I HA -0.210 3.946 4.170 -0.023 0.000 0.251 194 I C 2.122 178.292 176.117 0.089 0.000 1.139 194 I CA 1.454 62.814 61.300 0.100 0.000 1.438 194 I CB -0.341 37.692 38.000 0.055 0.000 1.085 194 I HN 0.058 nan 8.210 nan 0.000 0.427 195 M N -1.409 118.234 119.600 0.071 0.000 2.394 195 M HA -0.122 4.344 4.480 -0.023 0.000 0.264 195 M C 2.121 178.478 176.300 0.095 0.000 1.073 195 M CA 0.767 56.109 55.300 0.070 0.000 1.111 195 M CB -0.144 32.477 32.600 0.035 0.000 1.401 195 M HN 0.082 nan 8.290 nan 0.000 0.448 196 V N 0.646 120.625 119.914 0.110 0.000 2.252 196 V HA -0.294 3.812 4.120 -0.023 0.000 0.249 196 V C 2.284 178.448 176.094 0.117 0.000 1.056 196 V CA 1.744 64.119 62.300 0.125 0.000 1.022 196 V CB -0.553 31.375 31.823 0.175 0.000 0.641 196 V HN 0.372 nan 8.190 nan 0.000 0.445 197 L N 0.134 121.423 121.223 0.110 0.000 2.056 197 L HA -0.034 4.292 4.340 -0.023 0.000 0.207 197 L C -0.127 176.812 176.870 0.116 0.000 1.078 197 L CA 2.297 57.194 54.840 0.096 0.000 0.749 197 L CB -1.670 40.438 42.059 0.083 0.000 0.901 197 L HN 0.289 nan 8.230 nan 0.000 0.433 198 P HA -0.089 nan 4.420 nan 0.000 0.220 198 P C 1.980 179.420 177.300 0.232 0.000 1.148 198 P CA 0.958 64.154 63.100 0.159 0.000 0.803 198 P CB 0.120 31.899 31.700 0.132 0.000 0.782 199 V N 0.480 120.533 119.914 0.232 0.000 2.255 199 V HA -0.214 3.892 4.120 -0.023 0.000 0.243 199 V C 2.511 178.743 176.094 0.229 0.000 1.038 199 V CA 2.229 64.747 62.300 0.364 0.000 1.008 199 V CB -1.750 30.250 31.823 0.295 0.000 0.645 199 V HN 0.075 nan 8.190 nan 0.000 0.449 200 A N -0.066 122.817 122.820 0.105 0.000 1.927 200 A HA -0.322 3.985 4.320 -0.023 0.000 0.220 200 A C 2.279 179.825 177.584 -0.064 0.000 1.185 200 A CA 2.615 54.646 52.037 -0.011 0.000 0.639 200 A CB -0.641 18.366 19.000 0.013 0.000 0.820 200 A HN 0.471 nan 8.150 nan 0.000 0.451 201 M N -0.393 119.229 119.600 0.037 0.000 2.117 201 M HA -0.110 4.356 4.480 -0.023 0.000 0.262 201 M C 2.108 178.414 176.300 0.012 0.000 1.065 201 M CA 2.366 57.690 55.300 0.040 0.000 1.114 201 M CB -0.820 31.857 32.600 0.128 0.000 1.361 201 M HN 0.607 nan 8.290 nan 0.000 0.408 202 F N 0.033 119.992 119.950 0.016 0.000 2.259 202 F HA -0.024 4.490 4.527 -0.022 0.000 0.298 202 F C 1.591 177.212 175.800 -0.298 0.000 1.088 202 F CA 0.968 58.995 58.000 0.044 0.000 1.358 202 F CB -0.984 38.188 39.000 0.285 0.000 1.040 202 F HN -0.068 nan 8.300 nan 0.000 0.505 203 V N 0.822 120.013 119.914 -1.206 0.000 2.788 203 V HA -0.029 4.078 4.120 -0.023 0.000 0.251 203 V C 2.771 178.428 176.094 -0.728 0.000 1.068 203 V CA 1.311 62.839 62.300 -1.287 0.000 1.090 203 V CB -0.821 30.191 31.823 -1.351 0.000 0.710 203 V HN 0.530 nan 8.190 nan 0.000 0.467 204 A N -0.509 122.015 122.820 -0.493 0.000 1.968 204 A HA -0.105 4.201 4.320 -0.023 0.000 0.217 204 A C 2.331 179.698 177.584 -0.362 0.000 1.169 204 A CA 1.795 53.623 52.037 -0.348 0.000 0.638 204 A CB -0.327 18.537 19.000 -0.227 0.000 0.812 204 A HN 0.493 nan 8.150 nan 0.000 0.446 205 S N -1.267 114.122 115.700 -0.520 0.000 2.558 205 S HA 0.329 4.785 4.470 -0.023 0.000 0.217 205 S C 1.347 175.550 174.600 -0.662 0.000 0.975 205 S CA 0.629 58.452 58.200 -0.629 0.000 0.912 205 S CB -0.038 62.507 63.200 -1.093 0.000 0.776 205 S HN 1.577 nan 8.310 nan 0.000 0.526 206 G N 1.931 110.365 108.800 -0.609 0.000 2.246 206 G HA2 -0.261 3.685 3.960 -0.023 0.000 0.273 206 G HA3 -0.261 3.685 3.960 -0.023 0.000 0.273 206 G C -0.058 174.769 174.900 -0.121 0.000 1.055 206 G CA -0.223 44.678 45.100 -0.332 0.000 0.851 206 G HN 0.346 nan 8.290 nan 0.000 0.500 207 F N 0.162 120.152 119.950 0.067 0.000 2.535 207 F HA 0.378 4.891 4.527 -0.022 0.000 0.332 207 F C 1.158 177.103 175.800 0.241 0.000 1.208 207 F CA -0.845 57.265 58.000 0.183 0.000 1.330 207 F CB 0.495 39.671 39.000 0.293 0.000 1.167 207 F HN 0.086 nan 8.300 nan 0.000 0.597 208 E N 0.740 121.184 120.200 0.406 0.000 2.055 208 E HA 0.050 4.386 4.350 -0.023 0.000 0.274 208 E C -0.669 176.126 176.600 0.324 0.000 0.949 208 E CA -0.239 56.353 56.400 0.319 0.000 0.775 208 E CB 0.670 30.483 29.700 0.189 0.000 1.097 208 E HN 0.508 nan 8.360 nan 0.000 0.404 209 H N 2.909 122.177 119.070 0.329 0.000 2.761 209 H HA 0.033 4.575 4.556 -0.024 0.000 0.284 209 H C 1.312 176.789 175.328 0.248 0.000 1.105 209 H CA 0.044 56.238 56.048 0.245 0.000 1.352 209 H CB 0.907 30.824 29.762 0.258 0.000 1.423 209 H HN 0.509 nan 8.280 nan 0.000 0.464 210 S N 4.958 120.579 115.700 -0.131 0.000 2.389 210 S HA -0.200 4.256 4.470 -0.023 0.000 0.231 210 S C 1.848 176.474 174.600 0.043 0.000 1.052 210 S CA 1.321 59.503 58.200 -0.029 0.000 1.053 210 S CB -0.147 63.016 63.200 -0.061 0.000 0.886 210 S HN 0.661 nan 8.310 nan 0.000 0.456 211 I N 2.189 122.744 120.570 -0.025 0.000 2.500 211 I HA 0.059 4.215 4.170 -0.023 0.000 0.252 211 I C 3.006 179.353 176.117 0.385 0.000 1.142 211 I CA 1.089 62.479 61.300 0.150 0.000 1.451 211 I CB -1.732 36.386 38.000 0.196 0.000 1.093 211 I HN 0.484 nan 8.210 nan 0.000 0.430 212 A N 1.242 124.440 122.820 0.630 0.000 2.014 212 A HA -0.150 4.157 4.320 -0.023 0.000 0.218 212 A C 1.954 180.023 177.584 0.807 0.000 1.163 212 A CA 1.302 53.783 52.037 0.739 0.000 0.652 212 A CB -0.548 18.860 19.000 0.681 0.000 0.808 212 A HN 0.369 nan 8.150 nan 0.000 0.449 213 N N -0.048 118.998 118.700 0.577 0.000 2.244 213 N HA -0.061 4.665 4.740 -0.023 0.000 0.183 213 N C 1.513 177.192 175.510 0.282 0.000 1.016 213 N CA 1.192 54.484 53.050 0.404 0.000 0.866 213 N CB -0.492 38.239 38.487 0.407 0.000 0.980 213 N HN 0.501 nan 8.380 nan 0.000 0.430 214 M N -0.954 118.846 119.600 0.334 0.000 2.435 214 M HA -0.146 4.321 4.480 -0.023 0.000 0.262 214 M C 1.298 177.702 176.300 0.172 0.000 1.065 214 M CA 1.185 56.641 55.300 0.259 0.000 1.076 214 M CB -0.173 32.537 32.600 0.183 0.000 1.403 214 M HN 0.151 nan 8.290 nan 0.000 0.454 215 F N -0.120 119.888 119.950 0.095 0.000 2.399 215 F HA 0.027 4.540 4.527 -0.023 0.000 0.282 215 F C 2.078 177.833 175.800 -0.076 0.000 1.027 215 F CA 0.452 58.494 58.000 0.070 0.000 1.333 215 F CB -0.237 38.899 39.000 0.226 0.000 1.132 215 F HN -0.063 nan 8.300 nan 0.000 0.590 216 M N 1.339 120.805 119.600 -0.222 0.000 2.080 216 M HA -0.160 4.307 4.480 -0.023 0.000 0.260 216 M C 1.850 177.836 176.300 -0.523 0.000 1.068 216 M CA 1.961 56.906 55.300 -0.591 0.000 1.109 216 M CB -0.951 31.143 32.600 -0.843 0.000 1.342 216 M HN 0.323 nan 8.290 nan 0.000 0.405 217 I N -0.617 119.683 120.570 -0.451 0.000 2.233 217 I HA -0.150 4.006 4.170 -0.023 0.000 0.243 217 I C -0.600 175.156 176.117 -0.601 0.000 1.093 217 I CA 0.977 61.967 61.300 -0.518 0.000 1.380 217 I CB -1.929 35.707 38.000 -0.607 0.000 1.067 217 I HN 0.190 nan 8.210 nan 0.000 0.413 218 P HA -0.180 nan 4.420 nan 0.000 0.218 218 P C 1.739 178.790 177.300 -0.415 0.000 1.148 218 P CA 1.330 64.134 63.100 -0.493 0.000 0.822 218 P CB -0.014 31.451 31.700 -0.392 0.000 0.784 219 M N -0.168 119.116 119.600 -0.527 0.000 2.086 219 M HA -0.040 4.426 4.480 -0.023 0.000 0.261 219 M C 1.976 178.089 176.300 -0.311 0.000 1.067 219 M CA 2.136 57.142 55.300 -0.489 0.000 1.116 219 M CB -1.693 30.405 32.600 -0.835 0.000 1.348 219 M HN -0.109 nan 8.290 nan 0.000 0.407 220 G N 0.455 109.058 108.800 -0.328 0.000 2.628 220 G HA2 -0.262 3.684 3.960 -0.023 0.000 0.217 220 G HA3 -0.262 3.684 3.960 -0.023 0.000 0.217 220 G C 1.588 176.393 174.900 -0.158 0.000 1.240 220 G CA 1.527 46.484 45.100 -0.239 0.000 0.792 220 G HN 0.557 nan 8.290 nan 0.000 0.593 221 I N 0.279 120.746 120.570 -0.171 0.000 2.185 221 I HA -0.232 3.924 4.170 -0.023 0.000 0.246 221 I C 2.824 178.913 176.117 -0.048 0.000 1.088 221 I CA 0.779 62.031 61.300 -0.080 0.000 1.347 221 I CB -0.429 37.505 38.000 -0.109 0.000 1.041 221 I HN 0.062 nan 8.210 nan 0.000 0.415 222 V N 1.144 120.945 119.914 -0.188 0.000 2.287 222 V HA -0.295 3.811 4.120 -0.023 0.000 0.248 222 V C 2.308 178.265 176.094 -0.229 0.000 1.053 222 V CA 2.027 64.117 62.300 -0.351 0.000 1.027 222 V CB -0.323 31.127 31.823 -0.622 0.000 0.646 222 V HN 0.326 nan 8.190 nan 0.000 0.447 223 I N -0.792 119.725 120.570 -0.089 0.000 2.163 223 I HA -0.242 3.914 4.170 -0.023 0.000 0.243 223 I C 2.797 179.091 176.117 0.296 0.000 1.085 223 I CA 1.453 62.819 61.300 0.111 0.000 1.347 223 I CB -0.552 37.510 38.000 0.104 0.000 1.044 223 I HN 0.225 nan 8.210 nan 0.000 0.408 224 R N 1.179 121.858 120.500 0.298 0.000 2.094 224 R HA -0.211 4.115 4.340 -0.023 0.000 0.239 224 R C 1.604 178.188 176.300 0.473 0.000 1.137 224 R CA 2.151 58.551 56.100 0.501 0.000 0.943 224 R CB -0.623 29.871 30.300 0.323 0.000 0.850 224 R HN 0.338 nan 8.270 nan 0.000 0.433 225 D N -1.379 119.217 120.400 0.327 0.000 2.277 225 D HA -0.035 4.591 4.640 -0.023 0.000 0.208 225 D C 0.737 177.063 176.300 0.044 0.000 0.962 225 D CA 0.877 55.000 54.000 0.204 0.000 0.865 225 D CB 0.125 41.083 40.800 0.265 0.000 0.939 225 D HN 0.268 nan 8.370 nan 0.000 0.510 226 F N -0.385 119.609 119.950 0.072 0.000 2.856 226 F HA 0.380 4.893 4.527 -0.023 0.000 0.338 226 F C 0.662 176.649 175.800 0.312 0.000 1.100 226 F CA -0.586 57.438 58.000 0.040 0.000 1.150 226 F CB 0.597 39.376 39.000 -0.367 0.000 1.101 226 F HN -0.236 nan 8.300 nan 0.000 0.548 227 A N 1.135 124.326 122.820 0.619 0.000 2.425 227 A HA 0.449 4.755 4.320 -0.023 0.000 0.249 227 A C 0.689 178.708 177.584 0.725 0.000 1.084 227 A CA -0.101 52.336 52.037 0.668 0.000 0.781 227 A CB 0.084 19.375 19.000 0.485 0.000 1.019 227 A HN 0.300 nan 8.150 nan 0.000 0.490 228 S N 2.294 118.362 115.700 0.615 0.000 2.579 228 S HA 0.273 4.730 4.470 -0.023 0.000 0.275 228 S C -1.940 172.995 174.600 0.558 0.000 1.345 228 S CA -0.546 57.946 58.200 0.488 0.000 1.031 228 S CB 0.501 63.911 63.200 0.349 0.000 0.892 228 S HN 0.455 nan 8.310 nan 0.000 0.529 229 P HA 0.041 nan 4.420 nan 0.000 0.222 229 P C 0.891 178.401 177.300 0.350 0.000 1.153 229 P CA 0.795 64.205 63.100 0.516 0.000 0.798 229 P CB -0.006 31.867 31.700 0.288 0.000 0.796 230 E N -0.975 119.365 120.200 0.233 0.000 2.118 230 E HA -0.192 4.144 4.350 -0.023 0.000 0.195 230 E C 1.618 178.285 176.600 0.111 0.000 0.992 230 E CA 0.886 57.369 56.400 0.138 0.000 0.804 230 E CB -1.290 28.467 29.700 0.094 0.000 0.741 230 E HN 0.234 nan 8.360 nan 0.000 0.458 231 F N -0.077 119.843 119.950 -0.050 0.000 2.046 231 F HA -0.202 4.311 4.527 -0.023 0.000 0.297 231 F C 1.540 177.243 175.800 -0.162 0.000 1.123 231 F CA 1.512 59.367 58.000 -0.242 0.000 1.199 231 F CB -0.806 37.932 39.000 -0.438 0.000 0.972 231 F HN 0.050 nan 8.300 nan 0.000 0.474 232 W N 0.382 121.534 121.300 -0.246 0.000 2.392 232 W HA -0.129 4.517 4.660 -0.023 0.000 0.279 232 W C 2.508 178.902 176.519 -0.209 0.000 1.225 232 W CA 1.505 58.653 57.345 -0.329 0.000 1.233 232 W CB -1.186 28.230 29.460 -0.075 0.000 1.122 232 W HN -0.076 nan 8.180 nan 0.000 0.561 233 T N -0.326 114.277 114.554 0.082 0.000 2.942 233 T HA -0.019 4.317 4.350 -0.023 0.000 0.265 233 T C 2.015 176.706 174.700 -0.015 0.000 1.062 233 T CA 1.364 63.491 62.100 0.046 0.000 1.139 233 T CB -0.366 68.540 68.868 0.063 0.000 0.883 233 T HN 0.187 nan 8.240 nan 0.000 0.468 234 A N 1.464 124.244 122.820 -0.066 0.000 1.874 234 A HA 0.019 4.325 4.320 -0.023 0.000 0.214 234 A C 2.494 180.019 177.584 -0.099 0.000 1.189 234 A CA 1.426 53.421 52.037 -0.070 0.000 0.615 234 A CB -0.838 18.128 19.000 -0.057 0.000 0.830 234 A HN 0.459 nan 8.150 nan 0.000 0.443 235 V N -2.456 117.326 119.914 -0.219 0.000 3.217 235 V HA 0.363 4.469 4.120 -0.023 0.000 0.264 235 V C 1.277 177.326 176.094 -0.076 0.000 1.135 235 V CA 0.400 62.591 62.300 -0.182 0.000 1.142 235 V CB -1.760 29.835 31.823 -0.380 0.000 0.754 235 V HN 1.567 nan 8.190 nan 0.000 0.484 236 G N 0.082 108.851 108.800 -0.052 0.000 2.342 236 G HA2 -0.092 3.855 3.960 -0.023 0.000 0.267 236 G HA3 -0.092 3.855 3.960 -0.023 0.000 0.267 236 G C -0.091 174.821 174.900 0.021 0.000 0.922 236 G CA 0.808 45.906 45.100 -0.004 0.000 1.342 236 G HN 1.323 nan 8.290 nan 0.000 0.430 237 S N -0.693 115.054 115.700 0.078 0.000 2.680 237 S HA 1.020 5.476 4.470 -0.023 0.000 0.276 237 S C -0.622 174.110 174.600 0.220 0.000 1.189 237 S CA 0.545 58.816 58.200 0.119 0.000 0.909 237 S CB 0.972 64.261 63.200 0.149 0.000 1.227 237 S HN 2.409 nan 8.310 nan 0.000 0.501 238 A N 0.721 123.597 122.820 0.093 0.000 2.590 238 A HA 0.699 5.005 4.320 -0.023 0.000 0.294 238 A C -2.831 174.448 177.584 -0.508 0.000 1.046 238 A CA -0.860 50.905 52.037 -0.452 0.000 0.684 238 A CB 0.437 19.206 19.000 -0.386 0.000 1.279 238 A HN 0.409 nan 8.150 nan 0.000 0.415 239 P HA -0.201 nan 4.420 nan 0.000 0.218 239 P C 0.964 178.212 177.300 -0.086 0.000 1.152 239 P CA 1.939 64.898 63.100 -0.235 0.000 0.857 239 P CB 0.278 31.799 31.700 -0.298 0.000 0.787 240 E N -0.879 119.217 120.200 -0.172 0.000 2.160 240 E HA -0.164 4.172 4.350 -0.023 0.000 0.195 240 E C 1.486 178.026 176.600 -0.100 0.000 0.991 240 E CA 0.952 57.290 56.400 -0.102 0.000 0.810 240 E CB -1.052 28.580 29.700 -0.113 0.000 0.742 240 E HN 0.337 nan 8.360 nan 0.000 0.466 241 N N -0.285 118.264 118.700 -0.252 0.000 2.573 241 N HA -0.101 4.625 4.740 -0.023 0.000 0.187 241 N C -0.274 175.015 175.510 -0.369 0.000 1.107 241 N CA 0.648 53.455 53.050 -0.405 0.000 0.918 241 N CB 0.085 38.161 38.487 -0.685 0.000 0.966 241 N HN 0.149 nan 8.380 nan 0.000 0.448 242 F N -0.468 119.579 119.950 0.161 0.000 2.688 242 F HA 0.251 4.764 4.527 -0.023 0.000 0.376 242 F C 1.305 177.203 175.800 0.164 0.000 1.428 242 F CA -1.138 56.977 58.000 0.192 0.000 1.156 242 F CB -0.366 38.763 39.000 0.214 0.000 1.141 242 F HN -0.126 nan 8.300 nan 0.000 0.521 243 S N -1.713 114.158 115.700 0.284 0.000 2.419 243 S HA -0.183 4.273 4.470 -0.023 0.000 0.233 243 S C 1.367 176.009 174.600 0.071 0.000 1.016 243 S CA 1.239 59.521 58.200 0.137 0.000 0.974 243 S CB -0.590 62.649 63.200 0.065 0.000 0.786 243 S HN 0.513 nan 8.310 nan 0.000 0.492 244 H N 0.560 119.719 119.070 0.149 0.000 2.536 244 H HA 0.307 4.849 4.556 -0.023 0.000 0.276 244 H C 0.311 175.654 175.328 0.025 0.000 1.019 244 H CA 0.192 56.280 56.048 0.066 0.000 1.159 244 H CB 0.042 29.806 29.762 0.004 0.000 1.373 244 H HN 0.374 nan 8.280 nan 0.000 0.584 245 L N 2.573 123.879 121.223 0.139 0.000 3.035 245 L HA 0.085 4.411 4.340 -0.023 0.000 0.232 245 L C 0.600 177.511 176.870 0.068 0.000 1.341 245 L CA -0.196 54.694 54.840 0.082 0.000 1.177 245 L CB -0.261 41.841 42.059 0.071 0.000 1.555 245 L HN 0.137 nan 8.230 nan 0.000 0.473 246 T N -4.915 109.679 114.554 0.066 0.000 2.902 246 T HA 0.238 4.574 4.350 -0.023 0.000 0.280 246 T C 1.444 176.204 174.700 0.100 0.000 0.992 246 T CA -0.750 61.389 62.100 0.064 0.000 1.015 246 T CB 2.523 71.416 68.868 0.042 0.000 1.044 246 T HN -0.128 nan 8.240 nan 0.000 0.520 247 V N 0.955 120.931 119.914 0.103 0.000 2.380 247 V HA -0.177 3.930 4.120 -0.023 0.000 0.251 247 V C 2.595 178.795 176.094 0.176 0.000 1.063 247 V CA 1.964 64.367 62.300 0.172 0.000 1.055 247 V CB -0.875 31.026 31.823 0.130 0.000 0.657 247 V HN 0.817 nan 8.190 nan 0.000 0.455 248 M N 0.169 119.829 119.600 0.101 0.000 2.132 248 M HA -0.093 4.373 4.480 -0.023 0.000 0.263 248 M C 1.804 178.148 176.300 0.074 0.000 1.065 248 M CA 1.712 57.052 55.300 0.067 0.000 1.122 248 M CB -0.921 31.704 32.600 0.042 0.000 1.365 248 M HN 0.374 nan 8.290 nan 0.000 0.411 249 N N -0.493 118.264 118.700 0.095 0.000 2.104 249 N HA -0.185 4.542 4.740 -0.023 0.000 0.190 249 N C 1.459 177.058 175.510 0.149 0.000 1.024 249 N CA 1.395 54.514 53.050 0.115 0.000 0.853 249 N CB -0.691 37.868 38.487 0.120 0.000 1.008 249 N HN 0.331 nan 8.380 nan 0.000 0.424 250 F N 1.445 121.403 119.950 0.015 0.000 2.065 250 F HA -0.118 4.395 4.527 -0.023 0.000 0.298 250 F C 1.914 177.726 175.800 0.020 0.000 1.112 250 F CA 1.290 59.294 58.000 0.008 0.000 1.212 250 F CB -0.669 38.329 39.000 -0.003 0.000 0.975 250 F HN 0.002 nan 8.300 nan 0.000 0.476 251 I N -0.102 120.298 120.570 -0.284 0.000 2.202 251 I HA -0.281 3.875 4.170 -0.023 0.000 0.242 251 I C 2.493 178.494 176.117 -0.195 0.000 1.091 251 I CA 1.908 62.967 61.300 -0.401 0.000 1.368 251 I CB -0.694 37.193 38.000 -0.190 0.000 1.058 251 I HN 0.373 nan 8.210 nan 0.000 0.410 252 T N -3.232 111.287 114.554 -0.057 0.000 2.978 252 T HA -0.047 4.290 4.350 -0.023 0.000 0.262 252 T C 1.358 176.100 174.700 0.069 0.000 1.063 252 T CA 0.817 62.931 62.100 0.024 0.000 1.140 252 T CB -0.166 68.733 68.868 0.051 0.000 0.886 252 T HN 0.095 nan 8.240 nan 0.000 0.470 253 D N 0.737 121.170 120.400 0.055 0.000 2.339 253 D HA 0.178 4.804 4.640 -0.023 0.000 0.217 253 D C 1.503 177.836 176.300 0.055 0.000 1.050 253 D CA 0.227 54.280 54.000 0.089 0.000 0.856 253 D CB 0.214 41.077 40.800 0.104 0.000 0.922 253 D HN 0.516 nan 8.370 nan 0.000 0.518 254 N N -0.658 118.032 118.700 -0.016 0.000 2.676 254 N HA -0.083 4.643 4.740 -0.023 0.000 0.301 254 N C 1.380 176.811 175.510 -0.132 0.000 0.746 254 N CA -0.224 52.815 53.050 -0.020 0.000 1.211 254 N CB -0.370 38.190 38.487 0.122 0.000 1.549 254 N HN -0.070 nan 8.380 nan 0.000 1.309 255 L N 2.762 123.796 121.223 -0.314 0.000 2.043 255 L HA 0.037 4.363 4.340 -0.023 0.000 0.212 255 L C 2.304 179.050 176.870 -0.207 0.000 1.075 255 L CA 1.446 56.079 54.840 -0.346 0.000 0.752 255 L CB -0.647 40.984 42.059 -0.713 0.000 0.891 255 L HN 0.339 nan 8.230 nan 0.000 0.432 256 I N -0.420 120.034 120.570 -0.194 0.000 2.133 256 I HA -0.190 3.966 4.170 -0.023 0.000 0.238 256 I C -0.279 175.722 176.117 -0.193 0.000 1.074 256 I CA 1.277 62.497 61.300 -0.133 0.000 1.342 256 I CB -1.744 36.236 38.000 -0.033 0.000 1.053 256 I HN 0.257 nan 8.210 nan 0.000 0.404 257 P HA -0.060 nan 4.420 nan 0.000 0.219 257 P C 1.963 179.064 177.300 -0.332 0.000 1.150 257 P CA 0.978 63.705 63.100 -0.621 0.000 0.814 257 P CB 0.029 31.089 31.700 -1.067 0.000 0.787 258 V N -0.204 119.579 119.914 -0.218 0.000 2.358 258 V HA -0.203 3.903 4.120 -0.023 0.000 0.246 258 V C 2.309 178.346 176.094 -0.094 0.000 1.047 258 V CA 2.494 64.721 62.300 -0.121 0.000 1.035 258 V CB -1.756 30.041 31.823 -0.043 0.000 0.658 258 V HN 0.178 nan 8.190 nan 0.000 0.452 259 T N 0.267 114.765 114.554 -0.092 0.000 2.684 259 T HA -0.175 4.162 4.350 -0.023 0.000 0.267 259 T C 1.855 176.510 174.700 -0.075 0.000 1.036 259 T CA 1.788 63.845 62.100 -0.072 0.000 1.148 259 T CB -0.279 68.505 68.868 -0.141 0.000 0.863 259 T HN 0.287 nan 8.240 nan 0.000 0.436 260 I N 1.214 121.721 120.570 -0.104 0.000 2.091 260 I HA -0.222 3.934 4.170 -0.023 0.000 0.239 260 I C 2.923 178.992 176.117 -0.081 0.000 1.061 260 I CA 1.729 62.978 61.300 -0.085 0.000 1.317 260 I CB -0.850 37.099 38.000 -0.086 0.000 1.031 260 I HN 0.370 nan 8.210 nan 0.000 0.401 261 G N 0.083 108.822 108.800 -0.102 0.000 2.418 261 G HA2 -0.278 3.668 3.960 -0.023 0.000 0.217 261 G HA3 -0.278 3.668 3.960 -0.023 0.000 0.217 261 G C 1.348 176.201 174.900 -0.078 0.000 1.158 261 G CA 1.109 46.154 45.100 -0.091 0.000 0.771 261 G HN 0.470 nan 8.290 nan 0.000 0.545 262 N N 0.249 118.906 118.700 -0.071 0.000 2.018 262 N HA -0.147 4.579 4.740 -0.023 0.000 0.196 262 N C 2.220 177.667 175.510 -0.104 0.000 1.043 262 N CA 1.413 54.421 53.050 -0.070 0.000 0.856 262 N CB -0.249 38.222 38.487 -0.027 0.000 1.042 262 N HN 0.324 nan 8.380 nan 0.000 0.423 263 I N 1.168 121.673 120.570 -0.108 0.000 2.208 263 I HA -0.280 3.877 4.170 -0.023 0.000 0.245 263 I C 2.074 178.150 176.117 -0.068 0.000 1.097 263 I CA 1.122 62.336 61.300 -0.143 0.000 1.363 263 I CB -0.450 37.496 38.000 -0.089 0.000 1.051 263 I HN 0.184 nan 8.210 nan 0.000 0.413 264 I N 1.088 121.621 120.570 -0.062 0.000 2.208 264 I HA -0.246 3.910 4.170 -0.023 0.000 0.245 264 I C 2.722 178.816 176.117 -0.039 0.000 1.097 264 I CA 1.730 63.000 61.300 -0.050 0.000 1.363 264 I CB -0.989 36.980 38.000 -0.052 0.000 1.051 264 I HN 0.301 nan 8.210 nan 0.000 0.413 265 G N 0.428 109.195 108.800 -0.055 0.000 2.422 265 G HA2 -0.182 3.764 3.960 -0.023 0.000 0.218 265 G HA3 -0.182 3.764 3.960 -0.023 0.000 0.218 265 G C 1.694 176.574 174.900 -0.033 0.000 1.146 265 G CA 0.867 45.936 45.100 -0.052 0.000 0.769 265 G HN 0.511 nan 8.290 nan 0.000 0.547 266 G N 0.718 109.496 108.800 -0.036 0.000 2.394 266 G HA2 0.112 4.058 3.960 -0.023 0.000 0.215 266 G HA3 0.112 4.058 3.960 -0.023 0.000 0.215 266 G C 1.795 176.737 174.900 0.069 0.000 1.165 266 G CA 1.245 46.348 45.100 0.004 0.000 0.784 266 G HN 0.551 nan 8.290 nan 0.000 0.535 267 G N 1.063 109.912 108.800 0.082 0.000 2.469 267 G HA2 -0.192 3.754 3.960 -0.023 0.000 0.220 267 G HA3 -0.192 3.754 3.960 -0.023 0.000 0.220 267 G C 1.792 176.754 174.900 0.104 0.000 1.136 267 G CA 0.861 46.033 45.100 0.119 0.000 0.759 267 G HN 0.428 nan 8.290 nan 0.000 0.562 268 L N -0.273 120.984 121.223 0.057 0.000 2.093 268 L HA 0.063 4.389 4.340 -0.023 0.000 0.208 268 L C 2.865 179.776 176.870 0.067 0.000 1.085 268 L CA 0.361 55.238 54.840 0.062 0.000 0.755 268 L CB -0.353 41.724 42.059 0.030 0.000 0.904 268 L HN 0.184 nan 8.230 nan 0.000 0.435 269 L N -1.216 120.030 121.223 0.038 0.000 2.044 269 L HA -0.154 4.172 4.340 -0.023 0.000 0.205 269 L C 2.608 179.488 176.870 0.017 0.000 1.075 269 L CA 0.648 55.495 54.840 0.012 0.000 0.747 269 L CB -0.547 41.493 42.059 -0.032 0.000 0.903 269 L HN -0.008 nan 8.230 nan 0.000 0.435 270 V N 0.633 120.569 119.914 0.037 0.000 2.278 270 V HA -0.306 3.800 4.120 -0.023 0.000 0.251 270 V C 2.560 178.712 176.094 0.096 0.000 1.062 270 V CA 2.308 64.645 62.300 0.061 0.000 1.038 270 V CB -1.000 30.883 31.823 0.101 0.000 0.646 270 V HN 0.610 nan 8.190 nan 0.000 0.447 271 G N -1.034 107.825 108.800 0.098 0.000 2.418 271 G HA2 -0.256 3.690 3.960 -0.023 0.000 0.217 271 G HA3 -0.256 3.690 3.960 -0.023 0.000 0.217 271 G C 1.547 176.600 174.900 0.254 0.000 1.158 271 G CA 1.048 46.210 45.100 0.103 0.000 0.771 271 G HN 0.450 nan 8.290 nan 0.000 0.545 272 L N 0.697 122.075 121.223 0.257 0.000 2.012 272 L HA -0.052 4.274 4.340 -0.023 0.000 0.210 272 L C 2.995 180.013 176.870 0.246 0.000 1.073 272 L CA 2.482 57.498 54.840 0.293 0.000 0.748 272 L CB -0.929 41.218 42.059 0.145 0.000 0.891 272 L HN 0.195 nan 8.230 nan 0.000 0.431 273 T N -1.511 113.119 114.554 0.127 0.000 2.624 273 T HA -0.281 4.056 4.350 -0.023 0.000 0.268 273 T C 1.706 176.457 174.700 0.085 0.000 1.041 273 T CA 2.105 64.239 62.100 0.056 0.000 1.159 273 T CB -0.452 68.402 68.868 -0.023 0.000 0.863 273 T HN 0.354 nan 8.240 nan 0.000 0.434 274 Y N -0.337 119.900 120.300 -0.105 0.000 2.193 274 Y HA -0.160 4.386 4.550 -0.006 0.000 0.285 274 Y C 2.083 177.880 175.900 -0.171 0.000 1.166 274 Y CA 1.044 59.005 58.100 -0.231 0.000 1.181 274 Y CB -0.571 37.626 38.460 -0.438 0.000 0.976 274 Y HN 0.395 nan 8.280 nan 0.000 0.520 275 W N -1.198 120.216 121.300 0.190 0.000 2.355 275 W HA -0.126 4.519 4.660 -0.024 0.000 0.309 275 W C 1.925 178.545 176.519 0.168 0.000 1.206 275 W CA 1.410 58.888 57.345 0.223 0.000 1.284 275 W CB -0.741 28.810 29.460 0.151 0.000 1.145 275 W HN -0.321 nan 8.180 nan 0.000 0.502 276 V N 0.416 120.515 119.914 0.309 0.000 3.620 276 V HA 0.018 4.124 4.120 -0.023 0.000 0.286 276 V C 0.994 177.140 176.094 0.088 0.000 1.288 276 V CA 0.921 63.327 62.300 0.176 0.000 1.178 276 V CB -0.658 31.251 31.823 0.143 0.000 0.986 276 V HN 0.248 nan 8.190 nan 0.000 0.431 277 I N -1.795 118.805 120.570 0.051 0.000 4.439 277 I HA 0.146 4.302 4.170 -0.023 0.000 0.331 277 I C 1.592 177.695 176.117 -0.023 0.000 1.345 277 I CA 0.131 61.410 61.300 -0.036 0.000 1.193 277 I CB 0.772 38.679 38.000 -0.155 0.000 1.221 277 I HN 0.324 nan 8.210 nan 0.000 0.429 278 Y N 1.195 121.423 120.300 -0.119 0.000 2.284 278 Y HA 0.298 4.837 4.550 -0.018 0.000 0.293 278 Y C 1.044 176.926 175.900 -0.031 0.000 1.140 278 Y CA 0.624 58.651 58.100 -0.122 0.000 1.153 278 Y CB -0.121 38.239 38.460 -0.168 0.000 1.114 278 Y HN -0.237 nan 8.280 nan 0.000 0.521 279 L N 0.000 121.162 121.223 -0.102 0.000 2.949 279 L HA 0.000 4.326 4.340 -0.023 0.000 0.249 279 L CA 0.000 54.730 54.840 -0.183 0.000 0.813 279 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 279 L HN 0.000 nan 8.230 nan 0.000 0.502