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 2cst_1_A DATA FIRST_RESID 2 DATA SEQUENCE AASIFAAVPR APPVAVFKLT ADFREDGDSR KVNLGVGAYR TDEGQPWVLP DATA SEQUENCE VVRKVEQLIA GDGSLNHEYL PILGLPEFRA NASRIALGDD SPAIAQKRVG DATA SEQUENCE SVQGLGGTGA LRIGAEFLRR WYNGNNNTAT PVYVSSPTWE NHNSVFMDAG DATA SEQUENCE FKDIRTYRYW DAAKRGLDLQ GLLDDMEKAP EFSIFILHAC AHNPTGTDPT DATA SEQUENCE PDEWKQIAAV MKRRCLFPFF DSAYQGFASG SLDKDAWAVR YFVSEGFELF DATA SEQUENCE CAQSFSKNFG LYNERVGNLS VVGKDEDNVQ RVLSQMEKIV RTTWSNPPSQ DATA SEQUENCE GARIVATTLT SPQLFAEWKD NVKTMADRVL LMRSELRSRL ESLGTPGTWN DATA SEQUENCE HITDQIGMFS FTGLNPKQVE YMIKEKHIYL MASGRINMCG LTTKNLDYVA DATA SEQUENCE KSIHEAVTKI Q 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.573 177.584 -0.019 0.000 1.274 2 A CA 0.000 52.025 52.037 -0.019 0.000 0.836 2 A CB 0.000 18.987 19.000 -0.022 0.000 0.831 3 A N 0.524 123.330 122.820 -0.023 0.000 2.322 3 A HA 0.632 4.952 4.320 0.001 0.000 0.269 3 A C 0.680 178.241 177.584 -0.038 0.000 1.094 3 A CA 0.726 52.751 52.037 -0.020 0.000 0.807 3 A CB 0.141 19.131 19.000 -0.017 0.000 1.047 3 A HN 1.909 nan 8.150 nan 0.000 0.487 4 S N 0.277 115.962 115.700 -0.025 0.000 2.572 4 S HA 0.150 4.621 4.470 0.001 0.000 0.279 4 S C 1.295 175.814 174.600 -0.136 0.000 1.341 4 S CA 0.104 58.271 58.200 -0.055 0.000 1.043 4 S CB -0.163 63.061 63.200 0.039 0.000 0.887 4 S HN 0.896 nan 8.310 nan 0.000 0.516 5 I N 0.932 121.304 120.570 -0.330 0.000 2.916 5 I HA 0.074 4.244 4.170 0.001 0.000 0.267 5 I C 0.258 176.154 176.117 -0.368 0.000 1.263 5 I CA 1.150 62.210 61.300 -0.401 0.000 1.471 5 I CB -0.449 37.217 38.000 -0.556 0.000 1.089 5 I HN 0.468 nan 8.210 nan 0.000 0.468 6 F N 1.425 121.377 119.950 0.003 0.000 2.664 6 F HA 0.523 5.051 4.527 0.001 0.000 0.303 6 F C 2.456 178.258 175.800 0.003 0.000 1.092 6 F CA -0.051 57.951 58.000 0.003 0.000 1.305 6 F CB -0.495 38.507 39.000 0.004 0.000 1.054 6 F HN 0.020 nan 8.300 nan 0.000 0.565 7 A N 0.724 123.613 122.820 0.115 0.000 1.927 7 A HA -0.153 4.168 4.320 0.001 0.000 0.220 7 A C 2.328 179.952 177.584 0.068 0.000 1.185 7 A CA 2.124 54.208 52.037 0.078 0.000 0.639 7 A CB -0.934 18.086 19.000 0.033 0.000 0.820 7 A HN 0.304 nan 8.150 nan 0.000 0.451 8 A N -0.966 121.891 122.820 0.062 0.000 2.275 8 A HA 0.458 4.779 4.320 0.001 0.000 0.212 8 A C 0.621 178.239 177.584 0.056 0.000 1.201 8 A CA 0.031 52.097 52.037 0.048 0.000 0.843 8 A CB -0.276 18.744 19.000 0.033 0.000 0.873 8 A HN 0.256 nan 8.150 nan 0.000 0.492 9 V N 3.295 123.258 119.914 0.083 0.000 2.446 9 V HA 0.171 4.291 4.120 0.001 0.000 0.276 9 V C -1.865 174.255 176.094 0.044 0.000 1.030 9 V CA -1.168 61.176 62.300 0.072 0.000 1.033 9 V CB 0.185 32.066 31.823 0.097 0.000 0.993 9 V HN 0.403 nan 8.190 nan 0.000 0.477 10 P HA 0.299 nan 4.420 nan 0.000 0.274 10 P C -0.379 176.929 177.300 0.014 0.000 1.231 10 P CA -0.781 62.331 63.100 0.021 0.000 0.790 10 P CB 0.604 32.315 31.700 0.017 0.000 0.951 11 R N 1.371 121.877 120.500 0.011 0.000 2.316 11 R HA 0.522 4.863 4.340 0.001 0.000 0.314 11 R C -0.455 175.848 176.300 0.006 0.000 1.069 11 R CA -0.282 55.822 56.100 0.006 0.000 0.959 11 R CB -0.110 30.195 30.300 0.007 0.000 0.987 11 R HN 0.583 nan 8.270 nan 0.000 0.446 12 A N 6.040 128.862 122.820 0.004 0.000 2.310 12 A HA 0.523 4.844 4.320 0.001 0.000 0.299 12 A C -2.093 175.496 177.584 0.007 0.000 1.147 12 A CA -1.576 50.464 52.037 0.005 0.000 0.818 12 A CB 0.344 19.346 19.000 0.004 0.000 1.096 12 A HN 0.717 nan 8.150 nan 0.000 0.495 13 P HA 0.424 nan 4.420 nan 0.000 0.274 13 P C -2.537 174.773 177.300 0.017 0.000 1.237 13 P CA -0.982 62.125 63.100 0.012 0.000 0.793 13 P CB -0.403 31.301 31.700 0.008 0.000 0.977 14 P HA 0.105 nan 4.420 nan 0.000 0.274 14 P C -0.549 176.777 177.300 0.043 0.000 1.237 14 P CA -0.300 62.827 63.100 0.045 0.000 0.793 14 P CB 0.312 32.047 31.700 0.059 0.000 0.977 15 V N 1.914 121.871 119.914 0.072 0.000 2.493 15 V HA 0.008 4.128 4.120 0.001 0.000 0.292 15 V C 1.896 177.992 176.094 0.003 0.000 1.016 15 V CA 0.891 63.217 62.300 0.042 0.000 1.097 15 V CB -0.115 31.784 31.823 0.126 0.000 0.947 15 V HN 0.802 nan 8.190 nan 0.000 0.479 16 A N 5.430 128.217 122.820 -0.056 0.000 1.873 16 A HA -0.145 4.176 4.320 0.001 0.000 0.218 16 A C 2.226 179.753 177.584 -0.096 0.000 1.193 16 A CA 2.239 54.242 52.037 -0.057 0.000 0.629 16 A CB -0.610 18.353 19.000 -0.061 0.000 0.826 16 A HN 0.775 nan 8.150 nan 0.000 0.447 17 V N -1.139 118.630 119.914 -0.242 0.000 2.407 17 V HA -0.205 3.916 4.120 0.001 0.000 0.248 17 V C 2.212 178.142 176.094 -0.274 0.000 1.055 17 V CA 2.308 64.421 62.300 -0.312 0.000 1.049 17 V CB -0.719 30.838 31.823 -0.443 0.000 0.662 17 V HN 0.522 nan 8.190 nan 0.000 0.455 18 F N 0.580 120.559 119.950 0.048 0.000 2.293 18 F HA 0.080 4.608 4.527 0.001 0.000 0.297 18 F C 2.232 178.056 175.800 0.039 0.000 1.089 18 F CA 1.489 59.515 58.000 0.042 0.000 1.377 18 F CB -0.846 38.177 39.000 0.038 0.000 1.051 18 F HN 0.181 nan 8.300 nan 0.000 0.511 19 K N 0.839 121.342 120.400 0.172 0.000 2.097 19 K HA -0.123 4.197 4.320 0.001 0.000 0.205 19 K C 1.932 178.601 176.600 0.116 0.000 1.050 19 K CA 1.014 57.376 56.287 0.126 0.000 0.938 19 K CB -0.731 31.823 32.500 0.090 0.000 0.718 19 K HN 0.144 nan 8.250 nan 0.000 0.442 20 L N 0.890 122.177 121.223 0.106 0.000 2.042 20 L HA -0.168 4.173 4.340 0.001 0.000 0.210 20 L C 1.963 178.892 176.870 0.098 0.000 1.076 20 L CA 2.072 56.996 54.840 0.140 0.000 0.749 20 L CB -0.981 41.146 42.059 0.113 0.000 0.893 20 L HN 0.291 nan 8.230 nan 0.000 0.432 21 T N -0.733 113.883 114.554 0.102 0.000 2.746 21 T HA -0.147 4.203 4.350 0.001 0.000 0.267 21 T C 1.872 176.641 174.700 0.116 0.000 1.039 21 T CA 1.271 63.437 62.100 0.110 0.000 1.142 21 T CB -0.384 68.578 68.868 0.158 0.000 0.866 21 T HN 0.505 nan 8.240 nan 0.000 0.444 22 A N 1.827 124.707 122.820 0.100 0.000 1.902 22 A HA -0.146 4.174 4.320 0.001 0.000 0.217 22 A C 2.089 179.683 177.584 0.017 0.000 1.181 22 A CA 1.776 53.851 52.037 0.062 0.000 0.623 22 A CB -0.640 18.402 19.000 0.070 0.000 0.818 22 A HN 0.346 nan 8.150 nan 0.000 0.443 23 D N -1.023 119.391 120.400 0.023 0.000 2.117 23 D HA -0.139 4.502 4.640 0.001 0.000 0.197 23 D C 1.596 177.766 176.300 -0.216 0.000 0.987 23 D CA 1.355 55.355 54.000 0.001 0.000 0.829 23 D CB -0.472 40.429 40.800 0.168 0.000 0.961 23 D HN 0.512 nan 8.370 nan 0.000 0.460 24 F N 1.853 121.425 119.950 -0.629 0.000 2.102 24 F HA -0.124 4.403 4.527 0.001 0.000 0.298 24 F C 2.264 177.865 175.800 -0.333 0.000 1.105 24 F CA 1.385 58.864 58.000 -0.869 0.000 1.239 24 F CB -0.059 38.488 39.000 -0.756 0.000 0.991 24 F HN -0.223 nan 8.300 nan 0.000 0.474 25 R N 0.431 120.759 120.500 -0.286 0.000 2.105 25 R HA -0.183 4.158 4.340 0.001 0.000 0.239 25 R C 2.030 178.171 176.300 -0.265 0.000 1.135 25 R CA 1.857 57.788 56.100 -0.281 0.000 0.967 25 R CB -0.570 29.697 30.300 -0.054 0.000 0.861 25 R HN 0.610 nan 8.270 nan 0.000 0.442 26 E N 0.385 120.475 120.200 -0.183 0.000 2.478 26 E HA -0.023 4.328 4.350 0.001 0.000 0.194 26 E C -0.002 176.528 176.600 -0.116 0.000 1.045 26 E CA -0.147 56.182 56.400 -0.119 0.000 0.868 26 E CB 0.055 29.723 29.700 -0.053 0.000 0.885 26 E HN 0.061 nan 8.360 nan 0.000 0.505 27 D N 1.126 121.427 120.400 -0.165 0.000 2.425 27 D HA 0.030 4.670 4.640 0.001 0.000 0.247 27 D C 0.758 176.971 176.300 -0.145 0.000 1.147 27 D CA 0.208 54.162 54.000 -0.076 0.000 0.879 27 D CB 1.437 42.259 40.800 0.036 0.000 1.179 27 D HN 0.156 nan 8.370 nan 0.000 0.456 28 G N 3.311 112.051 108.800 -0.101 0.000 3.088 28 G HA2 -0.061 3.899 3.960 0.001 0.000 0.217 28 G HA3 -0.061 3.899 3.960 0.001 0.000 0.217 28 G C 0.587 175.391 174.900 -0.161 0.000 1.159 28 G CA -0.296 44.730 45.100 -0.124 0.000 0.760 28 G HN 0.545 nan 8.290 nan 0.000 0.550 29 D N 1.244 121.504 120.400 -0.233 0.000 2.425 29 D HA 0.041 4.681 4.640 0.001 0.000 0.247 29 D C 1.803 177.970 176.300 -0.221 0.000 1.147 29 D CA 0.319 54.119 54.000 -0.332 0.000 0.879 29 D CB 1.293 41.610 40.800 -0.805 0.000 1.179 29 D HN 0.194 nan 8.370 nan 0.000 0.456 30 S N 3.758 119.348 115.700 -0.183 0.000 2.474 30 S HA -0.127 4.343 4.470 0.001 0.000 0.235 30 S C 1.395 175.909 174.600 -0.144 0.000 0.997 30 S CA 0.568 58.684 58.200 -0.140 0.000 0.949 30 S CB 0.045 63.172 63.200 -0.122 0.000 0.766 30 S HN 0.520 nan 8.310 nan 0.000 0.517 31 R N 1.824 122.212 120.500 -0.186 0.000 2.317 31 R HA 0.178 4.519 4.340 0.001 0.000 0.208 31 R C 0.384 176.670 176.300 -0.023 0.000 0.914 31 R CA -0.076 55.875 56.100 -0.248 0.000 1.060 31 R CB -0.051 29.958 30.300 -0.486 0.000 1.015 31 R HN 0.626 nan 8.270 nan 0.000 0.498 32 K N 1.017 121.470 120.400 0.089 0.000 2.527 32 K HA 0.081 4.402 4.320 0.001 0.000 0.278 32 K C -0.514 176.359 176.600 0.455 0.000 0.981 32 K CA 0.196 56.683 56.287 0.334 0.000 1.009 32 K CB 0.812 33.469 32.500 0.262 0.000 0.895 32 K HN -0.227 nan 8.250 nan 0.000 0.493 33 V N 2.084 122.334 119.914 0.560 0.000 2.760 33 V HA 0.154 4.274 4.120 0.001 0.000 0.309 33 V C -1.030 175.168 176.094 0.174 0.000 1.077 33 V CA -1.108 61.403 62.300 0.351 0.000 0.910 33 V CB 1.818 33.790 31.823 0.249 0.000 1.008 33 V HN 0.919 nan 8.190 nan 0.000 0.424 34 N N 4.045 122.558 118.700 -0.312 0.000 2.546 34 N HA 0.444 5.184 4.740 0.001 0.000 0.238 34 N C -0.275 175.100 175.510 -0.225 0.000 0.984 34 N CA -0.322 52.364 53.050 -0.608 0.000 0.935 34 N CB 0.939 38.554 38.487 -1.452 0.000 1.122 34 N HN 0.696 nan 8.380 nan 0.000 0.510 35 L N 2.169 123.358 121.223 -0.056 0.000 2.965 35 L HA 0.406 4.746 4.340 0.001 0.000 0.254 35 L C 1.543 178.444 176.870 0.053 0.000 1.220 35 L CA -0.391 54.453 54.840 0.006 0.000 1.023 35 L CB 0.495 42.580 42.059 0.043 0.000 1.355 35 L HN 0.511 nan 8.230 nan 0.000 0.545 36 G N 0.152 108.965 108.800 0.022 0.000 2.535 36 G HA2 -0.008 3.953 3.960 0.001 0.000 0.210 36 G HA3 -0.008 3.953 3.960 0.001 0.000 0.210 36 G C 0.450 175.411 174.900 0.102 0.000 1.593 36 G CA -0.040 45.095 45.100 0.058 0.000 0.948 36 G HN -0.043 nan 8.290 nan 0.000 0.476 37 V N 1.770 121.722 119.914 0.063 0.000 2.788 37 V HA 0.414 4.535 4.120 0.001 0.000 0.307 37 V C 1.303 177.517 176.094 0.200 0.000 1.069 37 V CA 0.494 62.861 62.300 0.111 0.000 1.173 37 V CB 1.011 32.888 31.823 0.090 0.000 0.925 37 V HN 0.555 nan 8.190 nan 0.000 0.492 38 G N 5.873 114.882 108.800 0.350 0.000 3.008 38 G HA2 0.548 4.508 3.960 0.001 0.000 0.272 38 G HA3 0.548 4.508 3.960 0.001 0.000 0.272 38 G C -0.029 174.991 174.900 0.200 0.000 0.764 38 G CA 0.413 45.725 45.100 0.353 0.000 2.029 38 G HN 1.341 nan 8.290 nan 0.000 0.587 39 A N 1.572 124.444 122.820 0.086 0.000 2.401 39 A HA 0.671 4.992 4.320 0.001 0.000 0.310 39 A C -1.143 176.544 177.584 0.172 0.000 1.075 39 A CA -0.857 51.210 52.037 0.049 0.000 0.746 39 A CB 1.424 20.216 19.000 -0.347 0.000 1.277 39 A HN 0.500 nan 8.150 nan 0.000 0.425 40 Y N 1.974 122.437 120.300 0.271 0.000 2.336 40 Y HA 0.539 5.090 4.550 0.001 0.000 0.331 40 Y C 0.295 176.326 175.900 0.218 0.000 1.211 40 Y CA 0.412 58.700 58.100 0.313 0.000 1.346 40 Y CB 0.596 39.378 38.460 0.537 0.000 1.271 40 Y HN 0.615 nan 8.280 nan 0.000 0.538 41 R N 2.881 122.898 120.500 -0.806 0.000 2.725 41 R HA 0.296 4.637 4.340 0.001 0.000 0.277 41 R C -0.325 175.457 176.300 -0.863 0.000 0.987 41 R CA -0.615 55.156 56.100 -0.549 0.000 0.901 41 R CB 1.465 31.603 30.300 -0.271 0.000 1.207 41 R HN 0.874 nan 8.270 nan 0.000 0.463 42 T N -2.743 111.573 114.554 -0.397 0.000 2.770 42 T HA 0.041 4.392 4.350 0.001 0.000 0.281 42 T C 0.953 175.516 174.700 -0.229 0.000 0.981 42 T CA -0.326 61.584 62.100 -0.318 0.000 0.955 42 T CB 0.657 69.394 68.868 -0.217 0.000 1.060 42 T HN 0.510 nan 8.240 nan 0.000 0.531 43 D N -0.508 119.790 120.400 -0.171 0.000 2.350 43 D HA -0.063 4.578 4.640 0.001 0.000 0.216 43 D C 1.564 177.818 176.300 -0.076 0.000 0.968 43 D CA 0.631 54.565 54.000 -0.111 0.000 0.894 43 D CB 0.021 40.768 40.800 -0.088 0.000 0.909 43 D HN 0.549 nan 8.370 nan 0.000 0.520 44 E N -0.705 119.452 120.200 -0.070 0.000 2.479 44 E HA 0.154 4.504 4.350 0.001 0.000 0.193 44 E C 1.372 177.958 176.600 -0.023 0.000 1.049 44 E CA 0.533 56.913 56.400 -0.034 0.000 0.870 44 E CB 0.443 30.134 29.700 -0.014 0.000 0.944 44 E HN 0.314 nan 8.360 nan 0.000 0.492 45 G N 1.883 110.654 108.800 -0.049 0.000 2.147 45 G HA2 -0.228 3.733 3.960 0.001 0.000 0.244 45 G HA3 -0.228 3.733 3.960 0.001 0.000 0.244 45 G C 0.157 175.054 174.900 -0.006 0.000 1.005 45 G CA 0.138 45.217 45.100 -0.035 0.000 0.713 45 G HN 0.092 nan 8.290 nan 0.000 0.515 46 Q N -0.373 119.426 119.800 -0.002 0.000 2.297 46 Q HA 0.570 4.910 4.340 0.001 0.000 0.268 46 Q C -2.358 173.698 176.000 0.093 0.000 1.045 46 Q CA -2.111 53.724 55.803 0.055 0.000 0.861 46 Q CB 1.639 30.425 28.738 0.080 0.000 1.344 46 Q HN 0.181 nan 8.270 nan 0.000 0.452 47 P HA 0.057 nan 4.420 nan 0.000 0.270 47 P C -0.920 176.607 177.300 0.379 0.000 1.223 47 P CA -0.094 63.136 63.100 0.216 0.000 0.785 47 P CB 0.454 32.256 31.700 0.169 0.000 0.923 48 W N 2.805 124.252 121.300 0.246 0.000 2.587 48 W HA 0.379 5.039 4.660 0.001 0.000 0.324 48 W C -1.623 175.039 176.519 0.239 0.000 1.008 48 W CA -0.703 56.794 57.345 0.254 0.000 1.265 48 W CB 1.010 30.696 29.460 0.377 0.000 1.328 48 W HN -0.018 nan 8.180 nan 0.000 0.432 49 V N 7.763 127.659 119.914 -0.031 0.000 2.455 49 V HA 0.150 4.270 4.120 0.001 0.000 0.273 49 V C 0.862 176.599 176.094 -0.596 0.000 1.045 49 V CA -0.627 61.576 62.300 -0.162 0.000 0.976 49 V CB 0.254 32.043 31.823 -0.058 0.000 0.993 49 V HN 0.349 nan 8.190 nan 0.000 0.475 50 L N 7.564 128.442 121.223 -0.575 0.000 2.514 50 L HA 0.079 4.419 4.340 0.001 0.000 0.280 50 L C -1.099 175.480 176.870 -0.485 0.000 1.223 50 L CA -1.109 53.245 54.840 -0.809 0.000 0.864 50 L CB 0.017 41.827 42.059 -0.415 0.000 1.118 50 L HN 0.419 nan 8.230 nan 0.000 0.494 51 P HA -0.174 nan 4.420 nan 0.000 0.216 51 P C 1.769 179.012 177.300 -0.095 0.000 1.153 51 P CA 0.850 63.847 63.100 -0.172 0.000 0.858 51 P CB 0.262 31.924 31.700 -0.064 0.000 0.789 52 V N -0.489 119.377 119.914 -0.080 0.000 2.407 52 V HA -0.187 3.934 4.120 0.001 0.000 0.248 52 V C 2.258 178.349 176.094 -0.004 0.000 1.055 52 V CA 1.696 63.989 62.300 -0.012 0.000 1.049 52 V CB -0.812 31.033 31.823 0.038 0.000 0.662 52 V HN -0.094 nan 8.190 nan 0.000 0.455 53 V N -0.022 119.877 119.914 -0.026 0.000 2.307 53 V HA -0.215 3.906 4.120 0.001 0.000 0.245 53 V C 2.616 178.698 176.094 -0.021 0.000 1.045 53 V CA 2.323 64.624 62.300 0.002 0.000 1.024 53 V CB -0.850 30.981 31.823 0.014 0.000 0.651 53 V HN 0.481 nan 8.190 nan 0.000 0.449 54 R N 0.710 121.182 120.500 -0.046 0.000 2.091 54 R HA -0.189 4.152 4.340 0.001 0.000 0.238 54 R C 2.299 178.589 176.300 -0.017 0.000 1.136 54 R CA 1.997 58.078 56.100 -0.031 0.000 0.959 54 R CB -0.600 29.676 30.300 -0.040 0.000 0.856 54 R HN 0.562 nan 8.270 nan 0.000 0.437 55 K N -0.536 119.855 120.400 -0.014 0.000 2.026 55 K HA -0.101 4.219 4.320 0.001 0.000 0.208 55 K C 1.722 178.320 176.600 -0.003 0.000 1.048 55 K CA 1.717 58.002 56.287 -0.004 0.000 0.929 55 K CB -0.072 32.430 32.500 0.003 0.000 0.713 55 K HN 0.079 nan 8.250 nan 0.000 0.439 56 V N 1.794 121.707 119.914 -0.003 0.000 2.515 56 V HA -0.185 3.935 4.120 0.001 0.000 0.250 56 V C 1.978 178.059 176.094 -0.021 0.000 1.058 56 V CA 1.797 64.091 62.300 -0.010 0.000 1.064 56 V CB -0.422 31.396 31.823 -0.010 0.000 0.675 56 V HN 0.390 nan 8.190 nan 0.000 0.461 57 E N -0.316 119.872 120.200 -0.020 0.000 2.085 57 E HA -0.250 4.100 4.350 0.001 0.000 0.194 57 E C 2.384 178.974 176.600 -0.017 0.000 0.994 57 E CA 1.256 57.643 56.400 -0.022 0.000 0.801 57 E CB -0.123 29.566 29.700 -0.018 0.000 0.743 57 E HN 0.559 nan 8.360 nan 0.000 0.453 58 Q N 0.363 120.155 119.800 -0.012 0.000 2.119 58 Q HA -0.093 4.248 4.340 0.001 0.000 0.201 58 Q C 2.430 178.422 176.000 -0.012 0.000 0.972 58 Q CA 0.876 56.674 55.803 -0.009 0.000 0.847 58 Q CB -0.295 28.441 28.738 -0.004 0.000 0.903 58 Q HN 0.369 nan 8.270 nan 0.000 0.433 59 L N 0.095 121.310 121.223 -0.014 0.000 1.989 59 L HA -0.199 4.142 4.340 0.001 0.000 0.211 59 L C 2.454 179.309 176.870 -0.025 0.000 1.071 59 L CA 1.072 55.902 54.840 -0.016 0.000 0.749 59 L CB -0.546 41.503 42.059 -0.016 0.000 0.890 59 L HN 0.159 nan 8.230 nan 0.000 0.431 60 I N 0.009 120.561 120.570 -0.031 0.000 2.163 60 I HA -0.317 3.853 4.170 0.001 0.000 0.243 60 I C 2.701 178.796 176.117 -0.037 0.000 1.085 60 I CA 1.361 62.636 61.300 -0.041 0.000 1.347 60 I CB -0.420 37.551 38.000 -0.049 0.000 1.044 60 I HN 0.225 nan 8.210 nan 0.000 0.408 61 A N 0.320 123.124 122.820 -0.025 0.000 2.121 61 A HA -0.050 4.271 4.320 0.001 0.000 0.218 61 A C 2.217 179.791 177.584 -0.018 0.000 1.154 61 A CA 1.622 53.648 52.037 -0.018 0.000 0.679 61 A CB -0.947 18.047 19.000 -0.010 0.000 0.795 61 A HN 0.503 nan 8.150 nan 0.000 0.458 62 G N -1.339 107.449 108.800 -0.019 0.000 3.088 62 G HA2 0.117 4.078 3.960 0.001 0.000 0.217 62 G HA3 0.117 4.078 3.960 0.001 0.000 0.217 62 G C 0.104 174.990 174.900 -0.022 0.000 1.159 62 G CA 0.393 45.483 45.100 -0.017 0.000 0.760 62 G HN 0.357 nan 8.290 nan 0.000 0.550 63 D N 1.061 121.443 120.400 -0.030 0.000 2.453 63 D HA 0.282 4.922 4.640 0.001 0.000 0.223 63 D C 1.656 177.930 176.300 -0.044 0.000 1.183 63 D CA -0.300 53.678 54.000 -0.037 0.000 0.933 63 D CB 0.763 41.536 40.800 -0.044 0.000 1.038 63 D HN 0.019 nan 8.370 nan 0.000 0.513 64 G N 1.984 110.763 108.800 -0.035 0.000 2.625 64 G HA2 -0.203 3.758 3.960 0.001 0.000 0.214 64 G HA3 -0.203 3.758 3.960 0.001 0.000 0.214 64 G C 1.378 176.252 174.900 -0.044 0.000 1.132 64 G CA 0.791 45.870 45.100 -0.035 0.000 0.782 64 G HN 0.499 nan 8.290 nan 0.000 0.538 65 S N -0.394 115.278 115.700 -0.047 0.000 2.527 65 S HA 0.252 4.723 4.470 0.001 0.000 0.222 65 S C 1.012 175.570 174.600 -0.069 0.000 0.985 65 S CA -0.447 57.723 58.200 -0.049 0.000 0.921 65 S CB -0.196 62.980 63.200 -0.040 0.000 0.772 65 S HN 0.176 nan 8.310 nan 0.000 0.529 66 L N 2.950 124.117 121.223 -0.093 0.000 2.395 66 L HA 0.429 4.770 4.340 0.001 0.000 0.269 66 L C 0.331 177.091 176.870 -0.184 0.000 1.133 66 L CA -0.725 54.032 54.840 -0.139 0.000 0.812 66 L CB 0.421 42.379 42.059 -0.169 0.000 1.125 66 L HN 0.436 nan 8.230 nan 0.000 0.452 67 N N -1.233 117.342 118.700 -0.208 0.000 3.002 67 N HA 0.306 5.046 4.740 0.001 0.000 0.331 67 N C -0.234 175.073 175.510 -0.339 0.000 1.384 67 N CA -0.758 52.165 53.050 -0.212 0.000 0.780 67 N CB 0.659 39.089 38.487 -0.095 0.000 1.492 67 N HN 0.404 nan 8.380 nan 0.000 0.608 68 H N -1.190 117.841 119.070 -0.065 0.000 2.512 68 H HA 0.296 4.853 4.556 0.001 0.000 0.276 68 H C -0.460 174.800 175.328 -0.114 0.000 1.126 68 H CA -0.282 55.717 56.048 -0.083 0.000 1.060 68 H CB 0.313 30.022 29.762 -0.089 0.000 1.646 68 H HN 0.493 nan 8.280 nan 0.000 0.571 69 E N 0.794 120.980 120.200 -0.022 0.000 2.418 69 E HA -0.050 4.301 4.350 0.001 0.000 0.261 69 E C -0.118 176.478 176.600 -0.006 0.000 1.070 69 E CA -0.025 56.341 56.400 -0.057 0.000 0.931 69 E CB 0.606 30.296 29.700 -0.017 0.000 0.954 69 E HN 0.169 nan 8.360 nan 0.000 0.439 70 Y N 0.971 121.290 120.300 0.031 0.000 2.904 70 Y HA -0.148 4.403 4.550 0.001 0.000 0.336 70 Y C 0.850 176.763 175.900 0.022 0.000 1.263 70 Y CA 0.334 58.452 58.100 0.030 0.000 1.547 70 Y CB -0.046 38.432 38.460 0.030 0.000 1.272 70 Y HN 0.287 nan 8.280 nan 0.000 0.596 71 L N 6.165 127.514 121.223 0.210 0.000 2.456 71 L HA 0.381 4.721 4.340 0.001 0.000 0.257 71 L C -1.879 175.055 176.870 0.106 0.000 1.162 71 L CA -2.490 52.419 54.840 0.115 0.000 0.808 71 L CB -0.269 41.837 42.059 0.080 0.000 1.136 71 L HN 0.468 nan 8.230 nan 0.000 0.466 72 P HA 0.163 nan 4.420 nan 0.000 0.269 72 P C 1.262 178.596 177.300 0.057 0.000 1.215 72 P CA -0.083 63.048 63.100 0.051 0.000 0.780 72 P CB 0.559 32.283 31.700 0.040 0.000 0.898 73 I N 0.818 121.408 120.570 0.033 0.000 2.145 73 I HA -0.284 3.887 4.170 0.001 0.000 0.244 73 I C 1.990 178.159 176.117 0.087 0.000 1.075 73 I CA 1.720 63.045 61.300 0.041 0.000 1.332 73 I CB -0.458 37.539 38.000 -0.005 0.000 1.033 73 I HN 0.351 nan 8.210 nan 0.000 0.410 74 L N 0.090 121.352 121.223 0.065 0.000 2.465 74 L HA 0.083 4.423 4.340 0.001 0.000 0.224 74 L C 1.046 177.988 176.870 0.120 0.000 1.145 74 L CA 0.489 55.379 54.840 0.082 0.000 0.834 74 L CB -0.848 41.235 42.059 0.040 0.000 0.944 74 L HN 0.548 nan 8.230 nan 0.000 0.451 75 G N -0.096 108.769 108.800 0.108 0.000 2.408 75 G HA2 -0.129 3.831 3.960 0.001 0.000 0.682 75 G HA3 -0.129 3.831 3.960 0.001 0.000 0.682 75 G C -1.215 173.739 174.900 0.090 0.000 1.303 75 G CA -0.845 44.319 45.100 0.107 0.000 0.966 75 G HN -0.094 nan 8.290 nan 0.000 0.560 76 L N 1.876 123.147 121.223 0.081 0.000 2.562 76 L HA 0.405 4.745 4.340 0.001 0.000 0.271 76 L C -0.499 176.433 176.870 0.103 0.000 1.167 76 L CA -0.729 54.153 54.840 0.069 0.000 0.917 76 L CB 0.775 42.852 42.059 0.030 0.000 1.187 76 L HN 0.354 nan 8.230 nan 0.000 0.482 77 P HA -0.190 nan 4.420 nan 0.000 0.215 77 P C 0.949 178.252 177.300 0.005 0.000 1.157 77 P CA 1.401 64.517 63.100 0.025 0.000 0.874 77 P CB 0.296 32.001 31.700 0.007 0.000 0.790 78 E N -1.323 118.880 120.200 0.005 0.000 2.110 78 E HA -0.169 4.181 4.350 0.001 0.000 0.193 78 E C 1.797 178.373 176.600 -0.041 0.000 0.988 78 E CA 0.915 57.300 56.400 -0.025 0.000 0.804 78 E CB -1.186 28.500 29.700 -0.025 0.000 0.745 78 E HN 0.281 nan 8.360 nan 0.000 0.458 79 F N 1.454 121.331 119.950 -0.122 0.000 2.084 79 F HA -0.112 4.416 4.527 0.001 0.000 0.296 79 F C 2.022 177.751 175.800 -0.119 0.000 1.111 79 F CA 1.470 59.370 58.000 -0.166 0.000 1.224 79 F CB -0.068 38.819 39.000 -0.187 0.000 0.991 79 F HN -0.193 nan 8.300 nan 0.000 0.471 80 R N 0.589 120.972 120.500 -0.194 0.000 2.094 80 R HA -0.175 4.166 4.340 0.001 0.000 0.239 80 R C 2.548 178.688 176.300 -0.267 0.000 1.137 80 R CA 1.706 57.660 56.100 -0.243 0.000 0.943 80 R CB -1.168 29.125 30.300 -0.012 0.000 0.850 80 R HN 0.432 nan 8.270 nan 0.000 0.433 81 A N 1.512 124.228 122.820 -0.173 0.000 1.865 81 A HA -0.201 4.120 4.320 0.001 0.000 0.217 81 A C 1.863 179.344 177.584 -0.172 0.000 1.191 81 A CA 1.714 53.667 52.037 -0.140 0.000 0.623 81 A CB -0.647 18.295 19.000 -0.098 0.000 0.826 81 A HN 0.317 nan 8.150 nan 0.000 0.444 82 N N 0.178 118.749 118.700 -0.215 0.000 2.166 82 N HA -0.121 4.619 4.740 0.001 0.000 0.186 82 N C 1.963 177.337 175.510 -0.227 0.000 1.019 82 N CA 1.370 54.292 53.050 -0.214 0.000 0.856 82 N CB -0.372 37.987 38.487 -0.214 0.000 0.993 82 N HN 0.498 nan 8.380 nan 0.000 0.426 83 A N 0.858 123.442 122.820 -0.393 0.000 1.877 83 A HA -0.078 4.243 4.320 0.001 0.000 0.216 83 A C 2.522 180.067 177.584 -0.066 0.000 1.186 83 A CA 1.553 53.432 52.037 -0.263 0.000 0.620 83 A CB -0.636 17.985 19.000 -0.633 0.000 0.822 83 A HN 0.222 nan 8.150 nan 0.000 0.443 84 S N -0.956 114.669 115.700 -0.125 0.000 2.399 84 S HA -0.146 4.325 4.470 0.001 0.000 0.231 84 S C 2.051 176.624 174.600 -0.045 0.000 1.022 84 S CA 1.283 59.442 58.200 -0.068 0.000 0.983 84 S CB -0.318 62.836 63.200 -0.077 0.000 0.803 84 S HN 0.652 nan 8.310 nan 0.000 0.480 85 R N 0.871 121.336 120.500 -0.058 0.000 2.081 85 R HA -0.056 4.284 4.340 0.001 0.000 0.235 85 R C 1.844 178.145 176.300 0.003 0.000 1.131 85 R CA 1.253 57.328 56.100 -0.043 0.000 0.960 85 R CB -0.244 30.012 30.300 -0.073 0.000 0.856 85 R HN 0.266 nan 8.270 nan 0.000 0.436 86 I N 1.061 121.660 120.570 0.048 0.000 2.315 86 I HA -0.165 4.006 4.170 0.001 0.000 0.248 86 I C 2.476 178.666 176.117 0.123 0.000 1.117 86 I CA 1.412 62.804 61.300 0.153 0.000 1.404 86 I CB -1.494 36.693 38.000 0.312 0.000 1.071 86 I HN 0.276 nan 8.210 nan 0.000 0.419 87 A N 0.704 123.567 122.820 0.072 0.000 1.873 87 A HA -0.083 4.238 4.320 0.001 0.000 0.215 87 A C 2.282 179.847 177.584 -0.031 0.000 1.186 87 A CA 1.190 53.235 52.037 0.014 0.000 0.616 87 A CB -0.635 18.353 19.000 -0.021 0.000 0.823 87 A HN 0.422 nan 8.150 nan 0.000 0.442 88 L N -1.435 119.768 121.223 -0.034 0.000 2.477 88 L HA 0.332 4.673 4.340 0.001 0.000 0.220 88 L C 1.112 177.960 176.870 -0.036 0.000 1.106 88 L CA 0.335 55.142 54.840 -0.056 0.000 0.851 88 L CB -0.707 41.319 42.059 -0.056 0.000 0.994 88 L HN 0.584 nan 8.230 nan 0.000 0.462 89 G N 0.719 109.515 108.800 -0.007 0.000 2.785 89 G HA2 -0.204 3.757 3.960 0.001 0.000 0.686 89 G HA3 -0.204 3.757 3.960 0.001 0.000 0.686 89 G C -0.362 174.534 174.900 -0.007 0.000 1.155 89 G CA -0.292 44.812 45.100 0.007 0.000 0.760 89 G HN 0.184 nan 8.290 nan 0.000 0.624 90 D N 0.385 120.782 120.400 -0.004 0.000 2.149 90 D HA -0.042 4.598 4.640 0.001 0.000 0.198 90 D C 1.966 178.256 176.300 -0.016 0.000 0.990 90 D CA 1.929 55.917 54.000 -0.019 0.000 0.839 90 D CB 0.069 40.856 40.800 -0.022 0.000 0.948 90 D HN 0.698 nan 8.370 nan 0.000 0.460 91 D N -0.297 120.099 120.400 -0.007 0.000 2.325 91 D HA 0.013 4.653 4.640 0.001 0.000 0.234 91 D C 0.050 176.342 176.300 -0.014 0.000 1.122 91 D CA -0.106 53.890 54.000 -0.007 0.000 0.850 91 D CB -0.478 40.323 40.800 0.003 0.000 0.921 91 D HN -0.122 nan 8.370 nan 0.000 0.513 92 S N 1.528 117.215 115.700 -0.021 0.000 2.546 92 S HA 0.055 4.526 4.470 0.001 0.000 0.290 92 S C -1.222 173.362 174.600 -0.027 0.000 1.290 92 S CA -0.960 57.222 58.200 -0.030 0.000 1.069 92 S CB 1.023 64.202 63.200 -0.036 0.000 0.846 92 S HN -0.036 nan 8.310 nan 0.000 0.495 93 P HA -0.040 nan 4.420 nan 0.000 0.218 93 P C 1.257 178.545 177.300 -0.021 0.000 1.149 93 P CA 1.400 64.486 63.100 -0.024 0.000 0.817 93 P CB -0.149 31.535 31.700 -0.028 0.000 0.785 94 A N -0.372 122.435 122.820 -0.022 0.000 1.933 94 A HA -0.157 4.164 4.320 0.001 0.000 0.218 94 A C 2.282 179.856 177.584 -0.018 0.000 1.175 94 A CA 1.380 53.407 52.037 -0.016 0.000 0.628 94 A CB -1.521 17.471 19.000 -0.014 0.000 0.814 94 A HN 0.129 nan 8.150 nan 0.000 0.444 95 I N -0.454 120.102 120.570 -0.024 0.000 2.233 95 I HA -0.222 3.949 4.170 0.001 0.000 0.243 95 I C 2.976 179.079 176.117 -0.022 0.000 1.093 95 I CA 0.913 62.198 61.300 -0.026 0.000 1.380 95 I CB -0.357 37.624 38.000 -0.031 0.000 1.067 95 I HN 0.344 nan 8.210 nan 0.000 0.413 96 A N 0.346 123.155 122.820 -0.020 0.000 1.940 96 A HA -0.259 4.062 4.320 0.001 0.000 0.219 96 A C 2.083 179.658 177.584 -0.014 0.000 1.176 96 A CA 1.628 53.655 52.037 -0.017 0.000 0.631 96 A CB -0.612 18.379 19.000 -0.015 0.000 0.814 96 A HN 0.536 nan 8.150 nan 0.000 0.446 97 Q N -0.889 118.903 119.800 -0.013 0.000 2.322 97 Q HA 0.145 4.486 4.340 0.001 0.000 0.203 97 Q C -0.476 175.518 176.000 -0.009 0.000 0.923 97 Q CA 0.093 55.890 55.803 -0.010 0.000 0.949 97 Q CB 0.046 28.779 28.738 -0.008 0.000 1.039 97 Q HN 0.609 nan 8.270 nan 0.000 0.496 98 K N -0.062 120.330 120.400 -0.013 0.000 3.035 98 K HA -0.253 4.068 4.320 0.001 0.000 0.262 98 K C 0.394 176.988 176.600 -0.010 0.000 1.024 98 K CA 0.495 56.773 56.287 -0.014 0.000 0.748 98 K CB -0.960 31.532 32.500 -0.013 0.000 1.247 98 K HN 0.175 nan 8.250 nan 0.000 0.482 99 R N 0.611 121.107 120.500 -0.007 0.000 2.507 99 R HA 0.147 4.488 4.340 0.001 0.000 0.298 99 R C -0.565 175.737 176.300 0.002 0.000 0.999 99 R CA -0.092 56.010 56.100 0.002 0.000 1.082 99 R CB 0.897 31.201 30.300 0.006 0.000 1.246 99 R HN 0.018 nan 8.270 nan 0.000 0.553 100 V N -0.207 119.700 119.914 -0.011 0.000 2.588 100 V HA 0.668 4.788 4.120 0.001 0.000 0.304 100 V C 0.205 176.280 176.094 -0.032 0.000 1.042 100 V CA -0.971 61.318 62.300 -0.018 0.000 0.877 100 V CB 1.797 33.605 31.823 -0.025 0.000 0.996 100 V HN 0.234 nan 8.190 nan 0.000 0.425 101 G N 1.576 110.349 108.800 -0.044 0.000 2.481 101 G HA2 0.663 4.623 3.960 0.001 0.000 0.315 101 G HA3 0.663 4.623 3.960 0.001 0.000 0.315 101 G C -1.074 173.780 174.900 -0.077 0.000 1.231 101 G CA -0.592 44.470 45.100 -0.062 0.000 0.968 101 G HN 0.752 nan 8.290 nan 0.000 0.482 102 S N -0.273 115.387 115.700 -0.067 0.000 2.575 102 S HA 0.627 5.098 4.470 0.001 0.000 0.278 102 S C -1.133 173.458 174.600 -0.017 0.000 1.139 102 S CA -0.506 57.662 58.200 -0.054 0.000 0.954 102 S CB 1.688 64.850 63.200 -0.063 0.000 1.054 102 S HN 0.662 nan 8.310 nan 0.000 0.483 103 V N 5.218 125.137 119.914 0.008 0.000 2.444 103 V HA 0.456 4.576 4.120 0.001 0.000 0.294 103 V C 0.168 176.367 176.094 0.175 0.000 1.022 103 V CA -0.742 61.600 62.300 0.069 0.000 0.850 103 V CB 1.495 33.334 31.823 0.026 0.000 0.992 103 V HN 0.946 nan 8.190 nan 0.000 0.426 104 Q N 2.514 122.458 119.800 0.240 0.000 2.311 104 Q HA 0.479 4.819 4.340 0.001 0.000 0.272 104 Q C 0.213 176.374 176.000 0.267 0.000 1.012 104 Q CA 0.256 56.239 55.803 0.300 0.000 0.891 104 Q CB 1.016 29.874 28.738 0.199 0.000 1.201 104 Q HN 0.952 nan 8.270 nan 0.000 0.391 105 G N 2.954 111.874 108.800 0.201 0.000 2.537 105 G HA2 0.408 4.369 3.960 0.001 0.000 0.308 105 G HA3 0.408 4.369 3.960 0.001 0.000 0.308 105 G C -1.000 173.786 174.900 -0.190 0.000 1.237 105 G CA -0.740 44.450 45.100 0.150 0.000 0.968 105 G HN 0.594 nan 8.290 nan 0.000 0.481 106 L N 2.541 123.442 121.223 -0.537 0.000 2.448 106 L HA 0.324 4.664 4.340 0.001 0.000 0.278 106 L C 1.419 178.185 176.870 -0.174 0.000 1.201 106 L CA 1.425 55.958 54.840 -0.513 0.000 1.036 106 L CB -0.956 40.638 42.059 -0.774 0.000 1.325 106 L HN 1.148 nan 8.230 nan 0.000 0.441 107 G N 2.708 111.450 108.800 -0.095 0.000 2.804 107 G HA2 -0.253 3.707 3.960 0.001 0.000 0.230 107 G HA3 -0.253 3.707 3.960 0.001 0.000 0.230 107 G C 0.900 175.828 174.900 0.045 0.000 1.386 107 G CA -0.239 44.857 45.100 -0.007 0.000 0.875 107 G HN 0.693 nan 8.290 nan 0.000 0.557 108 G N -1.597 107.220 108.800 0.028 0.000 2.432 108 G HA2 0.036 3.996 3.960 0.001 0.000 0.219 108 G HA3 0.036 3.996 3.960 0.001 0.000 0.219 108 G C 1.863 176.845 174.900 0.136 0.000 1.135 108 G CA 2.365 47.490 45.100 0.043 0.000 0.767 108 G HN 1.208 nan 8.290 nan 0.000 0.550 109 T N 0.974 115.633 114.554 0.176 0.000 2.708 109 T HA -0.050 4.301 4.350 0.001 0.000 0.266 109 T C 2.519 177.369 174.700 0.250 0.000 1.037 109 T CA 1.445 63.713 62.100 0.280 0.000 1.146 109 T CB -0.592 68.470 68.868 0.323 0.000 0.865 109 T HN 0.346 nan 8.240 nan 0.000 0.435 110 G N 1.087 110.013 108.800 0.210 0.000 2.418 110 G HA2 -0.056 3.904 3.960 0.001 0.000 0.217 110 G HA3 -0.056 3.904 3.960 0.001 0.000 0.217 110 G C 1.828 176.973 174.900 0.409 0.000 1.158 110 G CA 0.926 46.217 45.100 0.320 0.000 0.771 110 G HN 0.584 nan 8.290 nan 0.000 0.545 111 A N 0.531 123.528 122.820 0.295 0.000 1.902 111 A HA 0.102 4.423 4.320 0.001 0.000 0.217 111 A C 2.443 180.233 177.584 0.343 0.000 1.181 111 A CA 1.277 53.491 52.037 0.295 0.000 0.623 111 A CB -0.412 18.729 19.000 0.235 0.000 0.818 111 A HN 0.352 nan 8.150 nan 0.000 0.443 112 L N -1.211 120.205 121.223 0.322 0.000 2.046 112 L HA -0.191 4.149 4.340 0.001 0.000 0.208 112 L C 2.765 179.767 176.870 0.220 0.000 1.077 112 L CA 1.711 56.733 54.840 0.304 0.000 0.747 112 L CB -0.399 41.785 42.059 0.210 0.000 0.896 112 L HN 0.364 nan 8.230 nan 0.000 0.432 113 R N 0.602 121.214 120.500 0.186 0.000 2.083 113 R HA -0.164 4.177 4.340 0.001 0.000 0.237 113 R C 2.074 178.453 176.300 0.131 0.000 1.137 113 R CA 1.712 57.876 56.100 0.107 0.000 0.951 113 R CB -0.485 29.908 30.300 0.155 0.000 0.851 113 R HN 0.158 nan 8.270 nan 0.000 0.434 114 I N 0.036 120.721 120.570 0.191 0.000 2.226 114 I HA -0.096 4.074 4.170 0.001 0.000 0.245 114 I C 2.220 178.483 176.117 0.244 0.000 1.100 114 I CA 1.757 63.143 61.300 0.144 0.000 1.374 114 I CB -1.728 36.338 38.000 0.110 0.000 1.057 114 I HN 0.414 nan 8.210 nan 0.000 0.413 115 G N 0.665 109.673 108.800 0.347 0.000 2.418 115 G HA2 -0.187 3.774 3.960 0.001 0.000 0.217 115 G HA3 -0.187 3.774 3.960 0.001 0.000 0.217 115 G C 1.884 177.218 174.900 0.723 0.000 1.158 115 G CA 1.002 46.435 45.100 0.556 0.000 0.771 115 G HN 0.480 nan 8.290 nan 0.000 0.545 116 A N 0.852 123.955 122.820 0.471 0.000 1.883 116 A HA -0.057 4.264 4.320 0.001 0.000 0.217 116 A C 2.225 180.004 177.584 0.326 0.000 1.186 116 A CA 1.959 54.142 52.037 0.243 0.000 0.624 116 A CB -0.368 18.283 19.000 -0.581 0.000 0.822 116 A HN 0.319 nan 8.150 nan 0.000 0.444 117 E N -1.096 119.224 120.200 0.199 0.000 2.110 117 E HA -0.192 4.159 4.350 0.001 0.000 0.193 117 E C 1.771 178.481 176.600 0.183 0.000 0.988 117 E CA 1.266 57.740 56.400 0.123 0.000 0.804 117 E CB -0.419 29.324 29.700 0.073 0.000 0.745 117 E HN 0.739 nan 8.360 nan 0.000 0.458 118 F N 1.421 121.503 119.950 0.220 0.000 2.113 118 F HA -0.110 4.418 4.527 0.001 0.000 0.297 118 F C 2.153 178.156 175.800 0.338 0.000 1.103 118 F CA 1.010 59.198 58.000 0.313 0.000 1.248 118 F CB -0.224 38.995 39.000 0.364 0.000 0.999 118 F HN -0.112 nan 8.300 nan 0.000 0.475 119 L N 0.212 121.668 121.223 0.389 0.000 2.046 119 L HA -0.204 4.136 4.340 0.001 0.000 0.208 119 L C 2.743 179.727 176.870 0.191 0.000 1.077 119 L CA 1.556 56.557 54.840 0.269 0.000 0.747 119 L CB -0.820 41.451 42.059 0.355 0.000 0.896 119 L HN 0.105 nan 8.230 nan 0.000 0.432 120 R N 0.584 121.142 120.500 0.097 0.000 2.127 120 R HA -0.169 4.171 4.340 0.001 0.000 0.238 120 R C 2.310 178.407 176.300 -0.337 0.000 1.134 120 R CA 1.487 57.385 56.100 -0.338 0.000 0.975 120 R CB 0.004 29.931 30.300 -0.621 0.000 0.865 120 R HN 0.371 nan 8.270 nan 0.000 0.447 121 R N -1.882 118.375 120.500 -0.406 0.000 2.112 121 R HA -0.029 4.312 4.340 0.001 0.000 0.216 121 R C 0.999 176.775 176.300 -0.874 0.000 1.080 121 R CA 1.357 57.026 56.100 -0.719 0.000 0.996 121 R CB 0.137 29.866 30.300 -0.951 0.000 0.902 121 R HN 0.286 nan 8.270 nan 0.000 0.449 122 W N -1.468 119.574 121.300 -0.430 0.000 2.714 122 W HA 0.233 4.893 4.660 0.001 0.000 0.353 122 W C -0.266 176.132 176.519 -0.203 0.000 0.999 122 W CA -0.838 56.278 57.345 -0.381 0.000 1.629 122 W CB 0.504 29.568 29.460 -0.662 0.000 1.106 122 W HN -0.090 nan 8.180 nan 0.000 0.545 123 Y N 2.225 122.468 120.300 -0.094 0.000 2.342 123 Y HA 0.335 4.886 4.550 0.001 0.000 0.334 123 Y C 0.933 176.803 175.900 -0.050 0.000 1.067 123 Y CA -1.184 56.890 58.100 -0.043 0.000 1.128 123 Y CB 0.755 39.166 38.460 -0.081 0.000 1.200 123 Y HN 0.035 nan 8.280 nan 0.000 0.464 124 N N 3.031 121.225 118.700 -0.842 0.000 2.727 124 N HA -0.131 4.609 4.740 0.001 0.000 0.249 124 N C -0.416 174.880 175.510 -0.357 0.000 1.048 124 N CA 1.653 54.244 53.050 -0.764 0.000 0.714 124 N CB -1.160 36.832 38.487 -0.824 0.000 0.959 124 N HN 1.533 nan 8.380 nan 0.000 0.544 125 G N -0.700 107.952 108.800 -0.247 0.000 2.331 125 G HA2 -0.033 3.928 3.960 0.001 0.000 0.479 125 G HA3 -0.033 3.928 3.960 0.001 0.000 0.479 125 G C -1.161 173.670 174.900 -0.116 0.000 1.262 125 G CA -0.339 44.669 45.100 -0.154 0.000 1.029 125 G HN 0.520 nan 8.290 nan 0.000 0.487 126 N N 1.183 119.804 118.700 -0.131 0.000 2.442 126 N HA 0.528 5.269 4.740 0.001 0.000 0.274 126 N C 0.416 175.783 175.510 -0.238 0.000 1.002 126 N CA -0.298 52.633 53.050 -0.199 0.000 0.910 126 N CB 0.748 39.145 38.487 -0.149 0.000 1.244 126 N HN 0.701 nan 8.380 nan 0.000 0.492 127 N N 1.171 119.675 118.700 -0.327 0.000 2.735 127 N HA -0.250 4.491 4.740 0.001 0.000 0.248 127 N C -1.085 174.299 175.510 -0.209 0.000 1.083 127 N CA 0.449 53.324 53.050 -0.292 0.000 0.703 127 N CB -0.964 37.357 38.487 -0.276 0.000 1.005 127 N HN 0.597 nan 8.380 nan 0.000 0.550 128 N N 0.952 119.548 118.700 -0.173 0.000 2.482 128 N HA 0.126 4.867 4.740 0.001 0.000 0.242 128 N C 1.049 176.507 175.510 -0.086 0.000 1.100 128 N CA 0.107 53.097 53.050 -0.099 0.000 0.946 128 N CB 0.430 38.880 38.487 -0.062 0.000 1.227 128 N HN 0.211 nan 8.380 nan 0.000 0.508 129 T N -0.353 114.131 114.554 -0.117 0.000 3.129 129 T HA 0.177 4.528 4.350 0.001 0.000 0.251 129 T C 1.296 176.044 174.700 0.079 0.000 1.117 129 T CA 0.295 62.311 62.100 -0.140 0.000 1.034 129 T CB 0.158 68.927 68.868 -0.164 0.000 0.968 129 T HN 0.337 nan 8.240 nan 0.000 0.526 130 A N 1.263 124.142 122.820 0.099 0.000 2.195 130 A HA 0.306 4.626 4.320 0.001 0.000 0.210 130 A C 1.261 178.958 177.584 0.188 0.000 1.165 130 A CA -0.117 51.995 52.037 0.125 0.000 0.806 130 A CB -0.490 18.551 19.000 0.068 0.000 0.847 130 A HN 0.443 nan 8.150 nan 0.000 0.482 131 T N 3.690 118.408 114.554 0.274 0.000 2.871 131 T HA 0.286 4.637 4.350 0.001 0.000 0.296 131 T C -2.549 172.286 174.700 0.225 0.000 0.998 131 T CA -0.279 61.994 62.100 0.288 0.000 1.162 131 T CB 0.480 69.590 68.868 0.403 0.000 0.947 131 T HN 0.147 nan 8.240 nan 0.000 0.536 132 P HA 0.246 nan 4.420 nan 0.000 0.271 132 P C -0.705 176.551 177.300 -0.074 0.000 1.216 132 P CA -0.458 62.657 63.100 0.024 0.000 0.776 132 P CB 0.591 32.331 31.700 0.067 0.000 0.881 133 V N 4.290 124.043 119.914 -0.269 0.000 2.444 133 V HA 0.482 4.603 4.120 0.001 0.000 0.294 133 V C -1.623 174.201 176.094 -0.450 0.000 1.022 133 V CA -0.659 61.401 62.300 -0.399 0.000 0.850 133 V CB 0.398 31.826 31.823 -0.659 0.000 0.992 133 V HN 0.269 nan 8.190 nan 0.000 0.426 134 Y N 5.302 125.275 120.300 -0.546 0.000 2.328 134 Y HA 0.681 5.232 4.550 0.001 0.000 0.337 134 Y C 0.485 176.251 175.900 -0.223 0.000 1.008 134 Y CA -0.234 57.579 58.100 -0.479 0.000 1.129 134 Y CB 2.023 39.816 38.460 -1.111 0.000 1.185 134 Y HN 0.811 nan 8.280 nan 0.000 0.476 135 V N 0.261 120.142 119.914 -0.055 0.000 2.919 135 V HA 0.769 4.890 4.120 0.001 0.000 0.316 135 V C -0.034 175.769 176.094 -0.486 0.000 1.077 135 V CA -1.119 61.108 62.300 -0.121 0.000 0.977 135 V CB 1.566 33.329 31.823 -0.101 0.000 1.039 135 V HN 0.763 nan 8.190 nan 0.000 0.441 136 S N 1.990 117.308 115.700 -0.637 0.000 2.593 136 S HA 0.428 4.899 4.470 0.001 0.000 0.269 136 S C 0.268 174.654 174.600 -0.358 0.000 1.334 136 S CA 0.216 57.862 58.200 -0.923 0.000 1.015 136 S CB 1.152 63.940 63.200 -0.687 0.000 0.912 136 S HN 1.763 nan 8.310 nan 0.000 0.541 137 S N 3.145 118.713 115.700 -0.220 0.000 2.520 137 S HA 0.568 5.039 4.470 0.001 0.000 0.324 137 S C -2.485 172.164 174.600 0.082 0.000 1.069 137 S CA -1.573 56.611 58.200 -0.026 0.000 1.121 137 S CB 0.340 63.560 63.200 0.034 0.000 0.971 137 S HN 0.701 nan 8.310 nan 0.000 0.463 138 P HA 0.544 nan 4.420 nan 0.000 0.287 138 P C -0.431 176.834 177.300 -0.058 0.000 1.296 138 P CA -0.419 62.661 63.100 -0.033 0.000 0.811 138 P CB 1.320 32.985 31.700 -0.058 0.000 1.211 139 T N -1.966 112.563 114.554 -0.041 0.000 2.787 139 T HA 0.372 4.722 4.350 0.001 0.000 0.297 139 T C -1.834 172.881 174.700 0.025 0.000 1.221 139 T CA -0.518 61.597 62.100 0.024 0.000 1.006 139 T CB 0.289 69.287 68.868 0.216 0.000 1.328 139 T HN 0.343 nan 8.240 nan 0.000 0.509 140 W N 3.601 124.793 121.300 -0.180 0.000 2.397 140 W HA 0.210 4.871 4.660 0.001 0.000 0.327 140 W C 1.717 178.081 176.519 -0.259 0.000 1.421 140 W CA -0.170 57.000 57.345 -0.291 0.000 1.288 140 W CB 0.164 29.361 29.460 -0.438 0.000 1.312 140 W HN 0.917 nan 8.180 nan 0.000 0.559 141 E N 3.613 123.544 120.200 -0.449 0.000 2.108 141 E HA -0.463 3.888 4.350 0.001 0.000 0.203 141 E C 1.335 177.606 176.600 -0.549 0.000 1.022 141 E CA 2.182 58.322 56.400 -0.433 0.000 0.823 141 E CB -0.318 29.149 29.700 -0.389 0.000 0.744 141 E HN 0.609 nan 8.360 nan 0.000 0.456 142 N N -0.251 117.785 118.700 -1.106 0.000 2.443 142 N HA -0.111 4.629 4.740 0.001 0.000 0.184 142 N C 1.408 176.677 175.510 -0.401 0.000 1.037 142 N CA 1.018 53.493 53.050 -0.959 0.000 0.896 142 N CB -0.283 37.250 38.487 -1.590 0.000 0.959 142 N HN 0.435 nan 8.380 nan 0.000 0.442 143 H N -0.722 118.240 119.070 -0.180 0.000 2.293 143 H HA -0.053 4.504 4.556 0.001 0.000 0.300 143 H C 1.481 176.873 175.328 0.106 0.000 1.082 143 H CA 1.569 57.667 56.048 0.082 0.000 1.308 143 H CB 0.047 29.856 29.762 0.079 0.000 1.375 143 H HN 0.305 nan 8.280 nan 0.000 0.495 144 N N 0.218 118.996 118.700 0.129 0.000 2.036 144 N HA -0.166 4.575 4.740 0.001 0.000 0.195 144 N C 2.015 177.593 175.510 0.112 0.000 1.037 144 N CA 1.667 54.769 53.050 0.086 0.000 0.855 144 N CB -0.339 38.153 38.487 0.009 0.000 1.033 144 N HN 0.138 nan 8.380 nan 0.000 0.423 145 S N -0.013 115.707 115.700 0.033 0.000 2.359 145 S HA -0.097 4.374 4.470 0.001 0.000 0.224 145 S C 2.185 176.823 174.600 0.064 0.000 1.035 145 S CA 0.962 59.174 58.200 0.020 0.000 1.018 145 S CB -0.522 62.644 63.200 -0.057 0.000 0.876 145 S HN 0.105 nan 8.310 nan 0.000 0.448 146 V N 0.989 120.953 119.914 0.083 0.000 2.295 146 V HA -0.172 3.949 4.120 0.001 0.000 0.246 146 V C 1.960 178.062 176.094 0.014 0.000 1.049 146 V CA 1.757 64.089 62.300 0.052 0.000 1.024 146 V CB -0.800 31.062 31.823 0.065 0.000 0.648 146 V HN 0.398 nan 8.190 nan 0.000 0.447 147 F N -0.783 119.234 119.950 0.113 0.000 2.186 147 F HA -0.126 4.402 4.527 0.001 0.000 0.299 147 F C 2.376 178.323 175.800 0.244 0.000 1.090 147 F CA 1.584 59.700 58.000 0.193 0.000 1.307 147 F CB -0.499 38.543 39.000 0.070 0.000 1.019 147 F HN 0.071 nan 8.300 nan 0.000 0.489 148 M N -0.472 119.293 119.600 0.276 0.000 2.132 148 M HA -0.199 4.282 4.480 0.001 0.000 0.263 148 M C 1.605 177.970 176.300 0.108 0.000 1.065 148 M CA 1.514 56.922 55.300 0.181 0.000 1.122 148 M CB -0.482 32.184 32.600 0.111 0.000 1.365 148 M HN -0.068 nan 8.290 nan 0.000 0.411 149 D N 0.630 121.075 120.400 0.075 0.000 2.218 149 D HA -0.060 4.581 4.640 0.001 0.000 0.204 149 D C 1.834 178.142 176.300 0.013 0.000 0.976 149 D CA 1.290 55.310 54.000 0.033 0.000 0.853 149 D CB -0.077 40.738 40.800 0.025 0.000 0.939 149 D HN 0.331 nan 8.370 nan 0.000 0.481 150 A N -0.729 122.105 122.820 0.023 0.000 2.167 150 A HA 0.366 4.686 4.320 0.001 0.000 0.214 150 A C 1.834 179.363 177.584 -0.091 0.000 1.151 150 A CA 1.487 53.513 52.037 -0.019 0.000 0.735 150 A CB 0.036 19.034 19.000 -0.004 0.000 0.802 150 A HN 0.297 nan 8.150 nan 0.000 0.467 151 G N -2.489 106.279 108.800 -0.054 0.000 2.296 151 G HA2 -0.130 3.830 3.960 0.001 0.000 0.188 151 G HA3 -0.130 3.830 3.960 0.001 0.000 0.188 151 G C 0.002 174.801 174.900 -0.168 0.000 1.000 151 G CA -0.279 44.725 45.100 -0.159 0.000 0.672 151 G HN 0.245 nan 8.290 nan 0.000 0.483 152 F N 1.698 121.694 119.950 0.076 0.000 2.529 152 F HA 0.482 5.010 4.527 0.001 0.000 0.365 152 F C 1.654 177.487 175.800 0.055 0.000 1.102 152 F CA 0.494 58.549 58.000 0.091 0.000 1.271 152 F CB 1.113 40.215 39.000 0.171 0.000 1.120 152 F HN -0.056 nan 8.300 nan 0.000 0.579 153 K N 0.202 120.728 120.400 0.209 0.000 2.348 153 K HA 0.016 4.337 4.320 0.001 0.000 0.194 153 K C -0.186 176.467 176.600 0.088 0.000 1.052 153 K CA 0.340 56.693 56.287 0.110 0.000 1.004 153 K CB 0.300 32.837 32.500 0.061 0.000 0.873 153 K HN 0.384 nan 8.250 nan 0.000 0.523 154 D N 1.425 121.888 120.400 0.103 0.000 2.458 154 D HA 0.145 4.786 4.640 0.001 0.000 0.258 154 D C -1.060 175.202 176.300 -0.062 0.000 1.134 154 D CA -0.397 53.614 54.000 0.018 0.000 0.915 154 D CB 0.409 41.223 40.800 0.023 0.000 1.028 154 D HN -0.087 nan 8.370 nan 0.000 0.508 155 I N 3.684 124.203 120.570 -0.084 0.000 2.321 155 I HA 0.397 4.568 4.170 0.001 0.000 0.291 155 I C 0.848 176.818 176.117 -0.246 0.000 0.998 155 I CA -0.495 60.703 61.300 -0.169 0.000 1.227 155 I CB 0.955 38.903 38.000 -0.086 0.000 1.368 155 I HN 0.161 nan 8.210 nan 0.000 0.466 156 R N 3.354 123.590 120.500 -0.440 0.000 2.939 156 R HA 0.770 5.110 4.340 0.001 0.000 0.254 156 R C -0.200 175.896 176.300 -0.340 0.000 1.123 156 R CA -0.830 54.989 56.100 -0.468 0.000 1.020 156 R CB 1.854 31.628 30.300 -0.876 0.000 1.206 156 R HN 0.678 nan 8.270 nan 0.000 0.491 157 T N -1.536 112.930 114.554 -0.146 0.000 2.932 157 T HA 0.556 4.907 4.350 0.001 0.000 0.289 157 T C -0.802 174.053 174.700 0.258 0.000 1.039 157 T CA -0.885 61.210 62.100 -0.008 0.000 1.024 157 T CB 1.019 69.871 68.868 -0.027 0.000 1.090 157 T HN 0.565 nan 8.240 nan 0.000 0.496 158 Y N -0.706 119.754 120.300 0.267 0.000 2.429 158 Y HA 0.748 5.299 4.550 0.001 0.000 0.342 158 Y C 0.270 176.318 175.900 0.248 0.000 1.004 158 Y CA -1.669 56.620 58.100 0.316 0.000 1.075 158 Y CB 1.060 39.767 38.460 0.412 0.000 1.214 158 Y HN 0.636 nan 8.280 nan 0.000 0.455 159 R N 1.945 122.655 120.500 0.350 0.000 2.640 159 R HA 0.058 4.399 4.340 0.001 0.000 0.270 159 R C -0.878 175.617 176.300 0.324 0.000 1.024 159 R CA 0.774 57.018 56.100 0.240 0.000 1.085 159 R CB 0.224 30.618 30.300 0.157 0.000 0.963 159 R HN 0.971 nan 8.270 nan 0.000 0.426 160 Y N 1.176 121.520 120.300 0.073 0.000 3.331 160 Y HA 0.069 4.619 4.550 0.001 0.000 0.172 160 Y C -0.832 175.103 175.900 0.058 0.000 0.942 160 Y CA -0.183 57.944 58.100 0.045 0.000 1.797 160 Y CB 0.328 38.760 38.460 -0.047 0.000 1.426 160 Y HN 0.618 nan 8.280 nan 0.000 0.316 161 W N 4.516 125.852 121.300 0.060 0.000 2.287 161 W HA 0.294 4.955 4.660 0.001 0.000 0.313 161 W C -0.951 175.553 176.519 -0.025 0.000 1.267 161 W CA 0.037 57.367 57.345 -0.025 0.000 1.201 161 W CB 0.966 30.437 29.460 0.017 0.000 1.196 161 W HN 0.189 nan 8.180 nan 0.000 0.536 162 D N 4.982 124.981 120.400 -0.668 0.000 2.454 162 D HA 0.310 4.951 4.640 0.001 0.000 0.225 162 D C 0.992 176.658 176.300 -1.057 0.000 1.081 162 D CA 0.052 53.670 54.000 -0.637 0.000 0.864 162 D CB 1.466 41.996 40.800 -0.450 0.000 1.040 162 D HN 0.464 nan 8.370 nan 0.000 0.517 163 A N 3.852 126.210 122.820 -0.771 0.000 1.908 163 A HA -0.101 4.220 4.320 0.001 0.000 0.218 163 A C 2.112 179.465 177.584 -0.385 0.000 1.181 163 A CA 1.889 53.615 52.037 -0.518 0.000 0.627 163 A CB -0.495 18.488 19.000 -0.028 0.000 0.818 163 A HN 0.614 nan 8.150 nan 0.000 0.445 164 A N -0.435 122.203 122.820 -0.302 0.000 1.908 164 A HA -0.164 4.157 4.320 0.001 0.000 0.218 164 A C 2.059 179.478 177.584 -0.275 0.000 1.181 164 A CA 2.388 54.285 52.037 -0.233 0.000 0.627 164 A CB -0.298 18.597 19.000 -0.176 0.000 0.818 164 A HN 0.432 nan 8.150 nan 0.000 0.445 165 K N -0.978 119.214 120.400 -0.347 0.000 2.379 165 K HA 0.132 4.453 4.320 0.001 0.000 0.194 165 K C 0.382 176.742 176.600 -0.400 0.000 1.031 165 K CA 0.084 56.178 56.287 -0.321 0.000 1.037 165 K CB -0.171 32.161 32.500 -0.280 0.000 0.824 165 K HN 0.377 nan 8.250 nan 0.000 0.516 166 R N -0.575 119.547 120.500 -0.630 0.000 3.333 166 R HA -0.176 4.165 4.340 0.001 0.000 0.256 166 R C 0.000 175.996 176.300 -0.508 0.000 1.010 166 R CA 0.526 56.196 56.100 -0.716 0.000 0.680 166 R CB -1.923 28.105 30.300 -0.454 0.000 1.102 166 R HN 0.504 nan 8.270 nan 0.000 0.440 167 G N -0.976 107.413 108.800 -0.686 0.000 2.634 167 G HA2 0.463 4.424 3.960 0.001 0.000 0.309 167 G HA3 0.463 4.424 3.960 0.001 0.000 0.309 167 G C -1.236 173.484 174.900 -0.301 0.000 1.299 167 G CA -1.011 43.924 45.100 -0.275 0.000 0.798 167 G HN 0.045 nan 8.290 nan 0.000 0.490 168 L N 1.129 122.214 121.223 -0.230 0.000 2.410 168 L HA 0.277 4.618 4.340 0.001 0.000 0.273 168 L C -0.473 176.217 176.870 -0.299 0.000 1.152 168 L CA -0.229 54.406 54.840 -0.343 0.000 0.855 168 L CB 1.092 42.937 42.059 -0.358 0.000 1.129 168 L HN 0.567 nan 8.230 nan 0.000 0.463 169 D N 4.552 124.779 120.400 -0.289 0.000 2.564 169 D HA 0.037 4.678 4.640 0.001 0.000 0.226 169 D C 0.899 177.105 176.300 -0.155 0.000 1.149 169 D CA -0.391 53.496 54.000 -0.188 0.000 0.994 169 D CB 0.539 41.264 40.800 -0.126 0.000 1.029 169 D HN 0.489 nan 8.370 nan 0.000 0.517 170 L N 2.903 124.027 121.223 -0.166 0.000 2.012 170 L HA -0.242 4.098 4.340 0.001 0.000 0.210 170 L C 2.298 179.119 176.870 -0.081 0.000 1.073 170 L CA 1.836 56.594 54.840 -0.137 0.000 0.748 170 L CB -0.472 41.504 42.059 -0.139 0.000 0.891 170 L HN 0.395 nan 8.230 nan 0.000 0.431 171 Q N -0.573 119.186 119.800 -0.070 0.000 2.061 171 Q HA -0.134 4.206 4.340 0.001 0.000 0.204 171 Q C 2.163 178.151 176.000 -0.019 0.000 0.984 171 Q CA 1.902 57.679 55.803 -0.044 0.000 0.846 171 Q CB -1.656 27.056 28.738 -0.045 0.000 0.902 171 Q HN 0.534 nan 8.270 nan 0.000 0.421 172 G N 1.803 110.596 108.800 -0.012 0.000 2.408 172 G HA2 -0.157 3.803 3.960 0.001 0.000 0.217 172 G HA3 -0.157 3.803 3.960 0.001 0.000 0.217 172 G C 1.548 176.491 174.900 0.071 0.000 1.150 172 G CA 0.673 45.790 45.100 0.028 0.000 0.776 172 G HN 0.319 nan 8.290 nan 0.000 0.542 173 L N 0.016 121.279 121.223 0.066 0.000 1.994 173 L HA 0.004 4.344 4.340 0.001 0.000 0.208 173 L C 2.819 179.710 176.870 0.035 0.000 1.071 173 L CA 1.151 56.064 54.840 0.122 0.000 0.745 173 L CB -0.191 41.924 42.059 0.093 0.000 0.892 173 L HN 0.199 nan 8.230 nan 0.000 0.431 174 L N -0.320 120.893 121.223 -0.015 0.000 2.046 174 L HA -0.246 4.095 4.340 0.001 0.000 0.208 174 L C 2.243 179.099 176.870 -0.023 0.000 1.077 174 L CA 1.282 56.096 54.840 -0.043 0.000 0.747 174 L CB -0.832 41.201 42.059 -0.043 0.000 0.896 174 L HN 0.304 nan 8.230 nan 0.000 0.432 175 D N 0.051 120.456 120.400 0.008 0.000 2.117 175 D HA -0.183 4.457 4.640 0.001 0.000 0.197 175 D C 1.840 178.171 176.300 0.051 0.000 0.987 175 D CA 1.209 55.224 54.000 0.025 0.000 0.829 175 D CB -0.224 40.596 40.800 0.033 0.000 0.961 175 D HN 0.261 nan 8.370 nan 0.000 0.460 176 D N -0.422 120.032 120.400 0.091 0.000 2.178 176 D HA -0.077 4.564 4.640 0.001 0.000 0.202 176 D C 2.112 178.462 176.300 0.083 0.000 0.974 176 D CA 0.562 54.653 54.000 0.153 0.000 0.841 176 D CB -0.146 40.820 40.800 0.276 0.000 0.953 176 D HN 0.274 nan 8.370 nan 0.000 0.478 177 M N 0.243 119.832 119.600 -0.018 0.000 2.200 177 M HA -0.086 4.395 4.480 0.001 0.000 0.265 177 M C 1.899 178.136 176.300 -0.104 0.000 1.066 177 M CA 0.908 56.105 55.300 -0.173 0.000 1.127 177 M CB 0.059 32.437 32.600 -0.371 0.000 1.379 177 M HN -0.132 nan 8.290 nan 0.000 0.420 178 E N 1.154 121.323 120.200 -0.052 0.000 2.153 178 E HA -0.185 4.166 4.350 0.001 0.000 0.194 178 E C 1.544 178.149 176.600 0.008 0.000 0.988 178 E CA 1.165 57.549 56.400 -0.026 0.000 0.811 178 E CB -0.155 29.537 29.700 -0.012 0.000 0.746 178 E HN 0.626 nan 8.360 nan 0.000 0.466 179 K N -0.246 120.177 120.400 0.038 0.000 2.374 179 K HA 0.367 4.687 4.320 0.001 0.000 0.196 179 K C 0.554 177.221 176.600 0.111 0.000 1.023 179 K CA 0.009 56.340 56.287 0.073 0.000 1.103 179 K CB 0.612 33.165 32.500 0.088 0.000 0.848 179 K HN -0.136 nan 8.250 nan 0.000 0.528 180 A N 3.126 125.998 122.820 0.086 0.000 2.401 180 A HA 0.347 4.668 4.320 0.001 0.000 0.259 180 A C -2.368 175.306 177.584 0.151 0.000 1.103 180 A CA -1.528 50.589 52.037 0.133 0.000 0.789 180 A CB -0.024 18.959 19.000 -0.028 0.000 1.035 180 A HN 0.108 nan 8.150 nan 0.000 0.491 181 P HA 0.129 nan 4.420 nan 0.000 0.269 181 P C -0.320 177.085 177.300 0.175 0.000 1.209 181 P CA 0.040 63.248 63.100 0.180 0.000 0.776 181 P CB 0.333 32.157 31.700 0.207 0.000 0.876 182 E N 1.306 121.576 120.200 0.117 0.000 2.437 182 E HA 0.009 4.360 4.350 0.001 0.000 0.263 182 E C -0.117 176.584 176.600 0.168 0.000 1.030 182 E CA 0.375 56.774 56.400 -0.002 0.000 0.934 182 E CB -0.297 29.322 29.700 -0.135 0.000 0.943 182 E HN 0.358 nan 8.360 nan 0.000 0.444 183 F N -0.983 119.092 119.950 0.208 0.000 2.656 183 F HA -0.294 4.234 4.527 0.001 0.000 0.381 183 F C 0.723 176.758 175.800 0.393 0.000 0.603 183 F CA 0.531 58.700 58.000 0.281 0.000 1.335 183 F CB -1.934 37.126 39.000 0.100 0.000 1.836 183 F HN 0.230 nan 8.300 nan 0.000 0.290 184 S N 1.438 117.408 115.700 0.451 0.000 2.566 184 S HA 0.385 4.855 4.470 0.001 0.000 0.280 184 S C 0.518 175.404 174.600 0.476 0.000 1.343 184 S CA -0.214 58.249 58.200 0.438 0.000 1.036 184 S CB 0.676 64.138 63.200 0.436 0.000 0.866 184 S HN 0.206 nan 8.310 nan 0.000 0.526 185 I N 2.844 123.594 120.570 0.300 0.000 2.331 185 I HA 0.308 4.479 4.170 0.001 0.000 0.292 185 I C -0.934 175.247 176.117 0.106 0.000 0.998 185 I CA -0.154 61.288 61.300 0.236 0.000 1.267 185 I CB 0.520 38.508 38.000 -0.020 0.000 1.386 185 I HN 0.410 nan 8.210 nan 0.000 0.476 186 F N 6.268 126.267 119.950 0.081 0.000 2.467 186 F HA 0.428 4.955 4.527 0.001 0.000 0.336 186 F C 0.144 175.902 175.800 -0.071 0.000 1.123 186 F CA -0.758 57.245 58.000 0.005 0.000 0.964 186 F CB 1.464 40.386 39.000 -0.130 0.000 1.136 186 F HN 0.164 nan 8.300 nan 0.000 0.447 187 I N 5.642 126.219 120.570 0.011 0.000 2.301 187 I HA 0.211 4.382 4.170 0.001 0.000 0.292 187 I C -0.571 175.550 176.117 0.007 0.000 1.046 187 I CA -0.588 60.600 61.300 -0.186 0.000 1.282 187 I CB 0.332 38.012 38.000 -0.534 0.000 1.409 187 I HN 0.232 nan 8.210 nan 0.000 0.484 188 L N 6.813 127.981 121.223 -0.092 0.000 2.346 188 L HA 0.385 4.726 4.340 0.001 0.000 0.276 188 L C 0.318 177.300 176.870 0.187 0.000 1.006 188 L CA -0.632 54.244 54.840 0.060 0.000 0.817 188 L CB 1.093 42.881 42.059 -0.451 0.000 1.272 188 L HN 0.410 nan 8.230 nan 0.000 0.421 189 H N 2.933 122.220 119.070 0.362 0.000 2.668 189 H HA 0.221 4.777 4.556 0.001 0.000 0.303 189 H C 0.760 176.426 175.328 0.565 0.000 1.074 189 H CA 0.061 56.350 56.048 0.402 0.000 1.406 189 H CB 1.369 31.345 29.762 0.356 0.000 1.442 189 H HN 0.822 nan 8.280 nan 0.000 0.482 190 A N 3.883 127.040 122.820 0.560 0.000 1.940 190 A HA -0.108 4.213 4.320 0.001 0.000 0.219 190 A C 1.183 179.006 177.584 0.399 0.000 1.176 190 A CA 1.552 53.814 52.037 0.376 0.000 0.631 190 A CB -0.347 18.710 19.000 0.094 0.000 0.814 190 A HN 0.862 nan 8.150 nan 0.000 0.446 191 C N -6.771 112.790 119.300 0.434 0.000 3.231 191 C HA 0.670 5.130 4.460 0.001 0.000 0.343 191 C C 0.478 175.691 174.990 0.372 0.000 1.349 191 C CA -0.687 58.578 59.018 0.411 0.000 1.209 191 C CB 0.798 28.722 27.740 0.306 0.000 1.475 191 C HN 2.276 nan 8.230 nan 0.000 0.460 192 A N 1.027 124.020 122.820 0.288 0.000 2.578 192 A HA -0.103 4.217 4.320 0.001 0.000 0.298 192 A C 0.305 178.012 177.584 0.205 0.000 1.472 192 A CA 1.274 53.408 52.037 0.162 0.000 0.734 192 A CB -2.372 16.625 19.000 -0.005 0.000 1.091 192 A HN 2.172 nan 8.150 nan 0.000 0.426 193 H N 0.632 119.788 119.070 0.143 0.000 3.140 193 H HA 0.101 4.657 4.556 0.001 0.000 0.316 193 H C 0.260 175.567 175.328 -0.035 0.000 0.986 193 H CA 1.681 57.705 56.048 -0.039 0.000 1.397 193 H CB 0.408 30.098 29.762 -0.120 0.000 1.377 193 H HN 0.680 nan 8.280 nan 0.000 0.585 194 N N 6.555 124.946 118.700 -0.516 0.000 2.443 194 N HA 0.169 4.910 4.740 0.001 0.000 0.269 194 N C -2.365 172.801 175.510 -0.575 0.000 0.985 194 N CA -2.212 50.662 53.050 -0.293 0.000 0.921 194 N CB 1.738 40.228 38.487 0.006 0.000 1.195 194 N HN 0.389 nan 8.380 nan 0.000 0.492 195 P HA 0.153 nan 4.420 nan 0.000 0.282 195 P C 0.744 177.835 177.300 -0.349 0.000 1.373 195 P CA 0.153 62.987 63.100 -0.444 0.000 1.001 195 P CB 0.349 31.843 31.700 -0.343 0.000 1.489 196 T N -4.340 110.019 114.554 -0.325 0.000 2.978 196 T HA 0.187 4.538 4.350 0.001 0.000 0.262 196 T C 1.730 176.413 174.700 -0.028 0.000 1.063 196 T CA 1.379 63.210 62.100 -0.449 0.000 1.140 196 T CB -1.167 67.341 68.868 -0.600 0.000 0.886 196 T HN 0.163 nan 8.240 nan 0.000 0.470 197 G N 0.797 109.681 108.800 0.139 0.000 2.179 197 G HA2 -0.231 3.730 3.960 0.001 0.000 0.260 197 G HA3 -0.231 3.730 3.960 0.001 0.000 0.260 197 G C 0.230 175.241 174.900 0.184 0.000 0.977 197 G CA 0.379 45.583 45.100 0.172 0.000 0.641 197 G HN 0.779 nan 8.290 nan 0.000 0.533 198 T N 1.911 116.579 114.554 0.191 0.000 2.744 198 T HA 0.559 4.910 4.350 0.001 0.000 0.291 198 T C -0.644 174.166 174.700 0.184 0.000 0.957 198 T CA -0.260 61.949 62.100 0.182 0.000 1.002 198 T CB 1.678 70.675 68.868 0.214 0.000 0.919 198 T HN 0.219 nan 8.240 nan 0.000 0.468 199 D N 3.311 123.802 120.400 0.152 0.000 2.350 199 D HA 0.498 5.139 4.640 0.001 0.000 0.238 199 D C -2.318 173.982 176.300 -0.000 0.000 0.989 199 D CA -1.817 52.290 54.000 0.178 0.000 0.921 199 D CB 1.352 42.319 40.800 0.278 0.000 1.297 199 D HN 0.192 nan 8.370 nan 0.000 0.490 200 P HA 0.183 nan 4.420 nan 0.000 0.274 200 P C -0.067 177.131 177.300 -0.171 0.000 1.231 200 P CA -0.411 62.466 63.100 -0.372 0.000 0.790 200 P CB 0.355 31.475 31.700 -0.967 0.000 0.951 201 T N -0.763 113.723 114.554 -0.115 0.000 2.816 201 T HA 0.241 4.591 4.350 0.001 0.000 0.282 201 T C -1.803 172.917 174.700 0.033 0.000 0.993 201 T CA -1.641 60.443 62.100 -0.027 0.000 0.994 201 T CB -0.104 68.723 68.868 -0.068 0.000 1.025 201 T HN 0.130 nan 8.240 nan 0.000 0.529 202 P HA -0.074 nan 4.420 nan 0.000 0.216 202 P C 1.002 178.216 177.300 -0.143 0.000 1.150 202 P CA 1.039 63.926 63.100 -0.354 0.000 0.843 202 P CB -0.039 31.014 31.700 -1.078 0.000 0.787 203 D N -0.635 119.688 120.400 -0.128 0.000 2.144 203 D HA -0.137 4.504 4.640 0.001 0.000 0.199 203 D C 1.897 178.194 176.300 -0.006 0.000 0.984 203 D CA 1.047 55.010 54.000 -0.062 0.000 0.834 203 D CB -0.368 40.391 40.800 -0.069 0.000 0.955 203 D HN 0.328 nan 8.370 nan 0.000 0.465 204 E N -0.729 119.455 120.200 -0.027 0.000 2.106 204 E HA -0.141 4.210 4.350 0.001 0.000 0.192 204 E C 2.098 178.717 176.600 0.032 0.000 0.984 204 E CA 0.514 56.880 56.400 -0.056 0.000 0.806 204 E CB -0.224 29.381 29.700 -0.158 0.000 0.750 204 E HN 0.416 nan 8.360 nan 0.000 0.458 205 W N 1.990 123.359 121.300 0.116 0.000 2.342 205 W HA -0.169 4.492 4.660 0.001 0.000 0.297 205 W C 2.191 178.818 176.519 0.180 0.000 1.213 205 W CA 0.816 58.315 57.345 0.256 0.000 1.251 205 W CB 0.076 29.822 29.460 0.476 0.000 1.136 205 W HN -0.025 nan 8.180 nan 0.000 0.526 206 K N 0.061 120.622 120.400 0.268 0.000 2.147 206 K HA -0.204 4.117 4.320 0.001 0.000 0.205 206 K C 1.814 178.514 176.600 0.166 0.000 1.049 206 K CA 1.359 57.726 56.287 0.133 0.000 0.936 206 K CB -0.476 32.038 32.500 0.022 0.000 0.722 206 K HN 0.369 nan 8.250 nan 0.000 0.446 207 Q N 0.679 120.547 119.800 0.115 0.000 2.079 207 Q HA -0.076 4.264 4.340 0.001 0.000 0.200 207 Q C 2.215 178.258 176.000 0.071 0.000 0.974 207 Q CA 1.078 56.921 55.803 0.066 0.000 0.840 207 Q CB -0.136 28.612 28.738 0.018 0.000 0.898 207 Q HN 0.313 nan 8.270 nan 0.000 0.430 208 I N 0.679 121.320 120.570 0.118 0.000 2.142 208 I HA -0.290 3.880 4.170 0.001 0.000 0.240 208 I C 2.435 178.640 176.117 0.147 0.000 1.078 208 I CA 1.103 62.478 61.300 0.125 0.000 1.343 208 I CB -0.418 37.713 38.000 0.218 0.000 1.046 208 I HN 0.152 nan 8.210 nan 0.000 0.405 209 A N 0.657 123.579 122.820 0.170 0.000 1.978 209 A HA -0.186 4.134 4.320 0.001 0.000 0.220 209 A C 2.524 180.170 177.584 0.103 0.000 1.170 209 A CA 1.881 53.864 52.037 -0.090 0.000 0.636 209 A CB -0.845 17.893 19.000 -0.438 0.000 0.810 209 A HN 0.456 nan 8.150 nan 0.000 0.448 210 A N -0.543 122.332 122.820 0.091 0.000 1.902 210 A HA -0.017 4.304 4.320 0.001 0.000 0.217 210 A C 2.238 179.836 177.584 0.024 0.000 1.181 210 A CA 1.861 53.931 52.037 0.056 0.000 0.623 210 A CB -0.914 18.116 19.000 0.049 0.000 0.818 210 A HN 0.399 nan 8.150 nan 0.000 0.443 211 V N -0.019 119.899 119.914 0.007 0.000 2.307 211 V HA -0.313 3.807 4.120 0.001 0.000 0.245 211 V C 2.656 178.725 176.094 -0.042 0.000 1.045 211 V CA 2.214 64.492 62.300 -0.038 0.000 1.024 211 V CB -0.755 31.017 31.823 -0.084 0.000 0.651 211 V HN 0.566 nan 8.190 nan 0.000 0.449 212 M N -0.283 119.315 119.600 -0.004 0.000 2.108 212 M HA -0.239 4.241 4.480 0.001 0.000 0.261 212 M C 2.332 178.731 176.300 0.165 0.000 1.066 212 M CA 2.054 57.391 55.300 0.063 0.000 1.107 212 M CB -0.524 32.161 32.600 0.142 0.000 1.356 212 M HN 0.269 nan 8.290 nan 0.000 0.406 213 K N 0.582 121.073 120.400 0.150 0.000 2.025 213 K HA -0.197 4.124 4.320 0.001 0.000 0.207 213 K C 2.106 178.623 176.600 -0.139 0.000 1.049 213 K CA 1.515 57.705 56.287 -0.163 0.000 0.933 213 K CB -0.084 32.239 32.500 -0.294 0.000 0.714 213 K HN 0.090 nan 8.250 nan 0.000 0.438 214 R N 0.528 120.977 120.500 -0.085 0.000 2.091 214 R HA -0.076 4.265 4.340 0.001 0.000 0.238 214 R C 1.526 177.770 176.300 -0.092 0.000 1.136 214 R CA 1.689 57.741 56.100 -0.080 0.000 0.959 214 R CB 0.062 30.329 30.300 -0.054 0.000 0.856 214 R HN 0.187 nan 8.270 nan 0.000 0.437 215 R N -0.857 119.589 120.500 -0.090 0.000 2.359 215 R HA 0.167 4.508 4.340 0.001 0.000 0.231 215 R C 0.258 176.448 176.300 -0.185 0.000 0.913 215 R CA 0.444 56.476 56.100 -0.114 0.000 1.075 215 R CB -0.058 30.194 30.300 -0.080 0.000 1.087 215 R HN 0.254 nan 8.270 nan 0.000 0.515 216 C N 1.631 120.826 119.300 -0.176 0.000 4.365 216 C HA -0.136 4.325 4.460 0.001 0.000 0.299 216 C C 0.630 175.574 174.990 -0.077 0.000 1.409 216 C CA -0.058 58.821 59.018 -0.232 0.000 2.007 216 C CB -2.817 24.537 27.740 -0.644 0.000 1.264 216 C HN 0.447 nan 8.230 nan 0.000 0.777 217 L N -0.198 121.061 121.223 0.060 0.000 2.371 217 L HA 0.476 4.817 4.340 0.001 0.000 0.272 217 L C 0.343 177.404 176.870 0.318 0.000 1.124 217 L CA -0.142 54.808 54.840 0.184 0.000 0.816 217 L CB 0.352 42.407 42.059 -0.008 0.000 1.129 217 L HN 0.267 nan 8.230 nan 0.000 0.448 218 F N 5.463 125.561 119.950 0.246 0.000 2.424 218 F HA 0.394 4.921 4.527 0.001 0.000 0.356 218 F C -2.102 173.745 175.800 0.077 0.000 1.110 218 F CA -2.359 55.733 58.000 0.152 0.000 1.161 218 F CB 0.876 39.872 39.000 -0.006 0.000 1.115 218 F HN 0.194 nan 8.300 nan 0.000 0.507 219 P HA 0.143 nan 4.420 nan 0.000 0.297 219 P C -1.136 175.777 177.300 -0.645 0.000 1.342 219 P CA -0.141 62.605 63.100 -0.590 0.000 0.801 219 P CB 0.553 31.855 31.700 -0.664 0.000 0.920 220 F N 5.284 124.976 119.950 -0.430 0.000 2.311 220 F HA 0.454 4.981 4.527 0.001 0.000 0.371 220 F C -1.007 174.699 175.800 -0.156 0.000 1.083 220 F CA -2.122 55.816 58.000 -0.103 0.000 1.113 220 F CB -0.131 38.981 39.000 0.187 0.000 1.349 220 F HN 0.097 nan 8.300 nan 0.000 0.470 221 F N 3.212 123.343 119.950 0.302 0.000 2.399 221 F HA 0.231 4.759 4.527 0.001 0.000 0.342 221 F C 0.607 176.521 175.800 0.190 0.000 1.106 221 F CA -0.129 57.946 58.000 0.125 0.000 1.196 221 F CB 0.642 39.619 39.000 -0.038 0.000 1.163 221 F HN 0.289 nan 8.300 nan 0.000 0.547 222 D N 1.806 122.359 120.400 0.255 0.000 2.441 222 D HA 0.124 4.764 4.640 0.001 0.000 0.231 222 D C -0.998 175.386 176.300 0.141 0.000 1.073 222 D CA -0.128 53.953 54.000 0.135 0.000 0.850 222 D CB 1.315 42.116 40.800 0.001 0.000 1.062 222 D HN 0.323 nan 8.370 nan 0.000 0.524 223 S N 2.781 118.539 115.700 0.096 0.000 2.426 223 S HA 0.575 5.046 4.470 0.001 0.000 0.236 223 S C 0.394 174.956 174.600 -0.063 0.000 1.368 223 S CA -0.370 57.859 58.200 0.049 0.000 1.154 223 S CB 0.271 63.476 63.200 0.008 0.000 1.037 223 S HN 0.490 nan 8.310 nan 0.000 0.481 224 A N 3.666 126.428 122.820 -0.097 0.000 2.390 224 A HA 0.403 4.723 4.320 0.001 0.000 0.232 224 A C 0.057 177.334 177.584 -0.512 0.000 1.233 224 A CA 0.102 51.923 52.037 -0.360 0.000 0.907 224 A CB 0.045 18.721 19.000 -0.540 0.000 0.967 224 A HN 0.760 nan 8.150 nan 0.000 0.512 225 Y N -0.176 120.128 120.300 0.006 0.000 2.696 225 Y HA 0.280 4.830 4.550 0.001 0.000 0.255 225 Y C 0.555 176.539 175.900 0.141 0.000 1.103 225 Y CA -0.813 57.325 58.100 0.064 0.000 1.126 225 Y CB 0.070 38.566 38.460 0.059 0.000 1.197 225 Y HN 0.351 nan 8.280 nan 0.000 0.574 226 Q N 0.734 120.645 119.800 0.186 0.000 2.247 226 Q HA 0.307 4.648 4.340 0.001 0.000 0.288 226 Q C 1.197 177.305 176.000 0.179 0.000 1.079 226 Q CA 1.622 57.524 55.803 0.165 0.000 0.932 226 Q CB 0.287 29.093 28.738 0.113 0.000 1.133 226 Q HN 0.817 nan 8.270 nan 0.000 0.377 227 G N 3.753 112.625 108.800 0.120 0.000 2.399 227 G HA2 -0.351 3.609 3.960 0.001 0.000 0.216 227 G HA3 -0.351 3.609 3.960 0.001 0.000 0.216 227 G C 0.380 175.283 174.900 0.006 0.000 1.096 227 G CA 0.212 45.309 45.100 -0.005 0.000 0.650 227 G HN 0.664 nan 8.290 nan 0.000 0.512 228 F N 2.466 122.438 119.950 0.037 0.000 2.134 228 F HA 0.236 4.764 4.527 0.001 0.000 0.299 228 F C 2.944 178.762 175.800 0.030 0.000 1.097 228 F CA 2.687 60.722 58.000 0.059 0.000 1.264 228 F CB -0.353 38.777 39.000 0.216 0.000 1.001 228 F HN 0.443 nan 8.300 nan 0.000 0.479 229 A N -0.471 122.509 122.820 0.266 0.000 1.834 229 A HA -0.256 4.064 4.320 0.001 0.000 0.216 229 A C 2.211 179.837 177.584 0.070 0.000 1.203 229 A CA 2.728 54.864 52.037 0.165 0.000 0.621 229 A CB -1.333 17.769 19.000 0.170 0.000 0.841 229 A HN 0.416 nan 8.150 nan 0.000 0.446 230 S N -3.047 112.677 115.700 0.040 0.000 2.539 230 S HA 0.440 4.911 4.470 0.001 0.000 0.221 230 S C 1.323 175.888 174.600 -0.057 0.000 0.987 230 S CA 1.049 59.248 58.200 -0.001 0.000 0.929 230 S CB 0.384 63.596 63.200 0.020 0.000 0.832 230 S HN 2.122 nan 8.310 nan 0.000 0.492 231 G N 0.952 109.691 108.800 -0.102 0.000 2.199 231 G HA2 -0.252 3.708 3.960 0.001 0.000 0.254 231 G HA3 -0.252 3.708 3.960 0.001 0.000 0.254 231 G C 0.092 174.898 174.900 -0.156 0.000 0.982 231 G CA 0.260 45.260 45.100 -0.168 0.000 0.632 231 G HN 1.276 nan 8.290 nan 0.000 0.529 232 S N 0.031 115.677 115.700 -0.090 0.000 2.530 232 S HA 0.631 5.102 4.470 0.001 0.000 0.322 232 S C 1.344 175.927 174.600 -0.029 0.000 1.085 232 S CA -0.560 57.600 58.200 -0.067 0.000 1.096 232 S CB 1.039 64.224 63.200 -0.025 0.000 0.988 232 S HN 0.294 nan 8.310 nan 0.000 0.466 233 L N 4.060 125.257 121.223 -0.044 0.000 2.079 233 L HA -0.021 4.319 4.340 0.001 0.000 0.210 233 L C 1.990 178.903 176.870 0.072 0.000 1.081 233 L CA 1.850 56.706 54.840 0.027 0.000 0.752 233 L CB -0.886 41.214 42.059 0.069 0.000 0.896 233 L HN 0.718 nan 8.230 nan 0.000 0.433 234 D N -0.867 119.576 120.400 0.072 0.000 2.103 234 D HA -0.137 4.504 4.640 0.001 0.000 0.199 234 D C 2.078 178.453 176.300 0.126 0.000 0.978 234 D CA 0.734 54.791 54.000 0.095 0.000 0.829 234 D CB 0.122 40.979 40.800 0.094 0.000 0.981 234 D HN 0.143 nan 8.370 nan 0.000 0.464 235 K N 1.195 121.660 120.400 0.109 0.000 2.032 235 K HA -0.109 4.212 4.320 0.001 0.000 0.209 235 K C 1.582 178.282 176.600 0.165 0.000 1.048 235 K CA 0.911 57.279 56.287 0.134 0.000 0.927 235 K CB -0.738 31.808 32.500 0.076 0.000 0.712 235 K HN 0.106 nan 8.250 nan 0.000 0.441 236 D N 0.218 120.692 120.400 0.123 0.000 2.263 236 D HA -0.089 4.552 4.640 0.001 0.000 0.208 236 D C 1.156 177.520 176.300 0.108 0.000 0.971 236 D CA 1.090 55.170 54.000 0.132 0.000 0.867 236 D CB 0.012 40.886 40.800 0.123 0.000 0.929 236 D HN 0.228 nan 8.370 nan 0.000 0.492 237 A N -0.945 121.923 122.820 0.079 0.000 2.345 237 A HA 0.103 4.424 4.320 0.001 0.000 0.225 237 A C 1.657 179.209 177.584 -0.054 0.000 1.243 237 A CA -0.406 51.620 52.037 -0.019 0.000 0.875 237 A CB -0.764 18.223 19.000 -0.022 0.000 0.929 237 A HN 0.259 nan 8.150 nan 0.000 0.502 238 W N 1.136 122.389 121.300 -0.079 0.000 2.302 238 W HA -0.353 4.308 4.660 0.001 0.000 0.320 238 W C 2.260 178.698 176.519 -0.135 0.000 1.241 238 W CA 3.105 60.411 57.345 -0.064 0.000 1.264 238 W CB -0.211 29.242 29.460 -0.012 0.000 1.154 238 W HN 0.378 nan 8.180 nan 0.000 0.483 239 A N -0.308 122.421 122.820 -0.152 0.000 1.873 239 A HA -0.253 4.068 4.320 0.001 0.000 0.218 239 A C 2.012 179.180 177.584 -0.693 0.000 1.193 239 A CA 2.898 54.563 52.037 -0.620 0.000 0.629 239 A CB -1.391 16.818 19.000 -1.319 0.000 0.826 239 A HN 0.235 nan 8.150 nan 0.000 0.447 240 V N -0.077 119.314 119.914 -0.872 0.000 2.287 240 V HA -0.313 3.807 4.120 0.001 0.000 0.248 240 V C 2.633 178.435 176.094 -0.487 0.000 1.053 240 V CA 2.427 64.146 62.300 -0.968 0.000 1.027 240 V CB -0.905 30.397 31.823 -0.868 0.000 0.646 240 V HN 0.538 nan 8.190 nan 0.000 0.447 241 R N -1.337 118.920 120.500 -0.406 0.000 2.120 241 R HA -0.175 4.166 4.340 0.001 0.000 0.234 241 R C 2.321 178.428 176.300 -0.322 0.000 1.123 241 R CA 1.819 57.736 56.100 -0.306 0.000 0.975 241 R CB -0.506 29.633 30.300 -0.268 0.000 0.866 241 R HN 0.651 nan 8.270 nan 0.000 0.446 242 Y N 0.532 120.454 120.300 -0.630 0.000 2.145 242 Y HA -0.228 4.322 4.550 0.001 0.000 0.286 242 Y C 1.736 177.498 175.900 -0.231 0.000 1.145 242 Y CA 1.402 59.134 58.100 -0.613 0.000 1.148 242 Y CB -0.353 37.434 38.460 -1.123 0.000 0.981 242 Y HN -0.126 nan 8.280 nan 0.000 0.507 243 F N -0.666 119.047 119.950 -0.395 0.000 2.126 243 F HA -0.229 4.299 4.527 0.001 0.000 0.299 243 F C 2.492 178.215 175.800 -0.127 0.000 1.096 243 F CA 1.643 59.461 58.000 -0.303 0.000 1.255 243 F CB -1.163 37.633 39.000 -0.340 0.000 0.997 243 F HN -0.096 nan 8.300 nan 0.000 0.479 244 V N -0.073 119.841 119.914 -0.000 0.000 2.287 244 V HA -0.306 3.814 4.120 0.001 0.000 0.248 244 V C 2.487 178.545 176.094 -0.060 0.000 1.053 244 V CA 2.129 64.424 62.300 -0.009 0.000 1.027 244 V CB -1.144 30.645 31.823 -0.057 0.000 0.646 244 V HN 0.518 nan 8.190 nan 0.000 0.447 245 S N -0.440 115.167 115.700 -0.156 0.000 2.423 245 S HA -0.170 4.301 4.470 0.001 0.000 0.231 245 S C 1.646 176.124 174.600 -0.203 0.000 1.014 245 S CA 1.135 59.233 58.200 -0.170 0.000 0.965 245 S CB -0.367 62.733 63.200 -0.167 0.000 0.785 245 S HN 0.615 nan 8.310 nan 0.000 0.495 246 E N 1.102 121.129 120.200 -0.288 0.000 2.511 246 E HA 0.160 4.510 4.350 0.001 0.000 0.196 246 E C 1.371 177.872 176.600 -0.165 0.000 1.066 246 E CA 0.581 56.820 56.400 -0.269 0.000 0.871 246 E CB -0.313 29.160 29.700 -0.378 0.000 0.863 246 E HN 0.774 nan 8.360 nan 0.000 0.520 247 G N 1.076 109.829 108.800 -0.079 0.000 2.141 247 G HA2 -0.275 3.685 3.960 0.001 0.000 0.242 247 G HA3 -0.275 3.685 3.960 0.001 0.000 0.242 247 G C 0.060 174.933 174.900 -0.045 0.000 0.982 247 G CA -0.085 44.970 45.100 -0.074 0.000 0.662 247 G HN 0.163 nan 8.290 nan 0.000 0.527 248 F N 1.090 121.008 119.950 -0.053 0.000 2.444 248 F HA 0.476 5.004 4.527 0.001 0.000 0.331 248 F C 1.196 177.012 175.800 0.026 0.000 1.167 248 F CA -0.133 57.870 58.000 0.005 0.000 1.262 248 F CB 0.597 39.639 39.000 0.070 0.000 1.196 248 F HN 0.071 nan 8.300 nan 0.000 0.583 249 E N 2.449 122.804 120.200 0.258 0.000 2.197 249 E HA 0.553 4.904 4.350 0.001 0.000 0.281 249 E C -1.172 175.493 176.600 0.107 0.000 0.995 249 E CA -0.602 55.920 56.400 0.205 0.000 0.808 249 E CB 1.459 31.307 29.700 0.247 0.000 1.093 249 E HN 0.408 nan 8.360 nan 0.000 0.394 250 L N -0.609 120.647 121.223 0.054 0.000 2.765 250 L HA 0.627 4.968 4.340 0.001 0.000 0.263 250 L C -1.403 175.533 176.870 0.109 0.000 1.068 250 L CA -0.986 53.718 54.840 -0.226 0.000 0.903 250 L CB 0.811 42.793 42.059 -0.127 0.000 1.512 250 L HN 0.190 nan 8.230 nan 0.000 0.404 251 F N 0.122 119.912 119.950 -0.267 0.000 2.546 251 F HA 0.772 5.299 4.527 0.001 0.000 0.320 251 F C -0.199 175.592 175.800 -0.015 0.000 1.076 251 F CA -1.790 56.086 58.000 -0.206 0.000 0.928 251 F CB 2.038 40.652 39.000 -0.643 0.000 1.189 251 F HN 0.832 nan 8.300 nan 0.000 0.465 252 C N 2.829 122.270 119.300 0.234 0.000 2.442 252 C HA 0.828 5.288 4.460 0.001 0.000 0.335 252 C C -0.428 174.715 174.990 0.256 0.000 1.134 252 C CA -0.468 58.709 59.018 0.266 0.000 1.344 252 C CB -0.512 27.282 27.740 0.089 0.000 1.956 252 C HN 0.919 nan 8.230 nan 0.000 0.438 253 A N 6.634 129.688 122.820 0.390 0.000 2.310 253 A HA 0.572 4.893 4.320 0.001 0.000 0.300 253 A C 0.024 177.686 177.584 0.130 0.000 1.269 253 A CA -0.142 52.074 52.037 0.298 0.000 0.909 253 A CB 0.187 19.417 19.000 0.384 0.000 1.144 253 A HN 0.935 nan 8.150 nan 0.000 0.540 254 Q N 1.913 121.747 119.800 0.056 0.000 2.293 254 Q HA 0.647 4.987 4.340 0.001 0.000 0.261 254 Q C -0.580 175.313 176.000 -0.179 0.000 0.960 254 Q CA -0.502 55.241 55.803 -0.099 0.000 0.882 254 Q CB 1.550 30.184 28.738 -0.173 0.000 1.275 254 Q HN 0.446 nan 8.270 nan 0.000 0.445 255 S N 2.342 117.860 115.700 -0.302 0.000 2.501 255 S HA 0.538 5.009 4.470 0.001 0.000 0.301 255 S C -0.708 173.603 174.600 -0.481 0.000 1.096 255 S CA -0.664 57.373 58.200 -0.272 0.000 1.063 255 S CB 0.471 63.529 63.200 -0.236 0.000 1.042 255 S HN 0.629 nan 8.310 nan 0.000 0.494 256 F N 2.137 122.085 119.950 -0.003 0.000 2.653 256 F HA 0.275 4.803 4.527 0.001 0.000 0.304 256 F C 2.178 177.949 175.800 -0.048 0.000 1.092 256 F CA -0.260 57.764 58.000 0.040 0.000 1.279 256 F CB 0.149 39.121 39.000 -0.046 0.000 1.044 256 F HN 0.500 nan 8.300 nan 0.000 0.564 257 S N 0.499 116.160 115.700 -0.065 0.000 2.359 257 S HA -0.203 4.267 4.470 0.001 0.000 0.224 257 S C 1.960 176.187 174.600 -0.622 0.000 1.035 257 S CA 1.654 59.682 58.200 -0.286 0.000 1.018 257 S CB -0.073 63.009 63.200 -0.197 0.000 0.876 257 S HN 0.342 nan 8.310 nan 0.000 0.448 258 K N 1.454 121.622 120.400 -0.386 0.000 2.141 258 K HA 0.089 4.410 4.320 0.001 0.000 0.202 258 K C 1.815 178.475 176.600 0.100 0.000 1.045 258 K CA 0.924 57.037 56.287 -0.290 0.000 0.971 258 K CB -0.196 32.066 32.500 -0.398 0.000 0.795 258 K HN 0.351 nan 8.250 nan 0.000 0.459 259 N N 0.219 119.065 118.700 0.245 0.000 2.381 259 N HA -0.139 4.602 4.740 0.001 0.000 0.182 259 N C 0.949 176.796 175.510 0.560 0.000 1.025 259 N CA 1.316 54.662 53.050 0.494 0.000 0.888 259 N CB -0.297 38.508 38.487 0.530 0.000 0.965 259 N HN 0.118 nan 8.380 nan 0.000 0.438 260 F N -0.688 119.458 119.950 0.326 0.000 2.704 260 F HA 0.403 4.930 4.527 0.001 0.000 0.304 260 F C 1.601 177.432 175.800 0.052 0.000 1.094 260 F CA 0.224 58.349 58.000 0.209 0.000 1.275 260 F CB 0.416 39.427 39.000 0.019 0.000 1.073 260 F HN 0.198 nan 8.300 nan 0.000 0.586 261 G N 1.300 110.157 108.800 0.095 0.000 2.225 261 G HA2 -0.312 3.649 3.960 0.001 0.000 0.267 261 G HA3 -0.312 3.649 3.960 0.001 0.000 0.267 261 G C 0.544 175.425 174.900 -0.032 0.000 1.024 261 G CA 0.282 45.367 45.100 -0.026 0.000 0.784 261 G HN 0.380 nan 8.290 nan 0.000 0.507 262 L N -0.023 121.136 121.223 -0.107 0.000 2.928 262 L HA 0.282 4.623 4.340 0.001 0.000 0.236 262 L C 2.100 178.947 176.870 -0.039 0.000 1.290 262 L CA -0.761 54.062 54.840 -0.028 0.000 1.099 262 L CB -0.430 41.609 42.059 -0.033 0.000 1.437 262 L HN 0.327 nan 8.230 nan 0.000 0.493 263 Y N 0.775 121.125 120.300 0.084 0.000 2.030 263 Y HA -0.378 4.173 4.550 0.001 0.000 0.272 263 Y C 2.475 178.389 175.900 0.022 0.000 1.185 263 Y CA 1.996 60.133 58.100 0.063 0.000 1.120 263 Y CB -0.617 37.895 38.460 0.086 0.000 0.955 263 Y HN 0.559 nan 8.280 nan 0.000 0.495 264 N N -0.104 118.714 118.700 0.197 0.000 2.515 264 N HA -0.101 4.640 4.740 0.001 0.000 0.191 264 N C 0.568 176.083 175.510 0.010 0.000 1.182 264 N CA 0.832 53.928 53.050 0.077 0.000 0.879 264 N CB -0.264 38.257 38.487 0.057 0.000 0.984 264 N HN 0.386 nan 8.380 nan 0.000 0.453 265 E N 0.527 120.720 120.200 -0.012 0.000 2.498 265 E HA 0.098 4.449 4.350 0.001 0.000 0.203 265 E C -0.236 176.294 176.600 -0.116 0.000 1.013 265 E CA -0.180 56.176 56.400 -0.073 0.000 0.927 265 E CB 0.248 29.892 29.700 -0.094 0.000 1.012 265 E HN 0.178 nan 8.360 nan 0.000 0.482 266 R N 0.107 120.556 120.500 -0.084 0.000 3.127 266 R HA -0.126 4.215 4.340 0.001 0.000 0.247 266 R C -0.504 175.701 176.300 -0.160 0.000 0.896 266 R CA 0.265 56.300 56.100 -0.108 0.000 0.624 266 R CB -3.148 27.065 30.300 -0.145 0.000 1.154 266 R HN -0.085 nan 8.270 nan 0.000 0.474 267 V N -0.127 119.718 119.914 -0.114 0.000 2.370 267 V HA 0.862 4.983 4.120 0.001 0.000 0.283 267 V C 1.175 177.346 176.094 0.128 0.000 1.023 267 V CA -0.044 62.177 62.300 -0.131 0.000 0.857 267 V CB 2.062 33.768 31.823 -0.195 0.000 0.985 267 V HN 0.620 nan 8.190 nan 0.000 0.443 268 G N 3.129 112.027 108.800 0.163 0.000 2.708 268 G HA2 0.676 4.637 3.960 0.001 0.000 0.289 268 G HA3 0.676 4.637 3.960 0.001 0.000 0.289 268 G C -1.765 173.400 174.900 0.442 0.000 1.416 268 G CA -0.789 44.488 45.100 0.294 0.000 0.829 268 G HN 0.649 nan 8.290 nan 0.000 0.480 269 N N -1.328 117.581 118.700 0.349 0.000 2.371 269 N HA 0.501 5.242 4.740 0.001 0.000 0.280 269 N C -1.830 173.776 175.510 0.159 0.000 1.084 269 N CA -0.595 52.634 53.050 0.298 0.000 0.892 269 N CB 2.201 40.835 38.487 0.245 0.000 1.653 269 N HN 0.499 nan 8.380 nan 0.000 0.480 270 L N 2.372 123.661 121.223 0.110 0.000 2.276 270 L HA 0.628 4.969 4.340 0.001 0.000 0.286 270 L C -0.840 175.991 176.870 -0.065 0.000 1.024 270 L CA -0.051 54.804 54.840 0.026 0.000 0.826 270 L CB 0.978 43.025 42.059 -0.021 0.000 1.211 270 L HN 0.500 nan 8.230 nan 0.000 0.422 271 S N 3.667 119.338 115.700 -0.049 0.000 2.499 271 S HA 0.634 5.105 4.470 0.001 0.000 0.279 271 S C -0.525 174.019 174.600 -0.093 0.000 1.219 271 S CA -0.519 57.643 58.200 -0.063 0.000 1.062 271 S CB 1.313 64.498 63.200 -0.025 0.000 0.978 271 S HN 0.416 nan 8.310 nan 0.000 0.489 272 V N 4.556 124.408 119.914 -0.102 0.000 2.384 272 V HA 0.417 4.538 4.120 0.001 0.000 0.287 272 V C -0.425 175.701 176.094 0.052 0.000 1.020 272 V CA -0.657 61.624 62.300 -0.031 0.000 0.850 272 V CB 1.617 33.352 31.823 -0.147 0.000 0.987 272 V HN 0.636 nan 8.190 nan 0.000 0.436 273 V N 4.701 124.694 119.914 0.132 0.000 2.334 273 V HA 0.794 4.915 4.120 0.001 0.000 0.281 273 V C 0.695 176.870 176.094 0.135 0.000 1.016 273 V CA -0.033 62.325 62.300 0.097 0.000 0.832 273 V CB 1.238 33.107 31.823 0.076 0.000 0.999 273 V HN 0.955 nan 8.190 nan 0.000 0.439 274 G N 2.953 111.815 108.800 0.104 0.000 2.932 274 G HA2 0.472 4.433 3.960 0.001 0.000 0.283 274 G HA3 0.472 4.433 3.960 0.001 0.000 0.283 274 G C 0.344 175.294 174.900 0.082 0.000 1.336 274 G CA -0.560 44.610 45.100 0.117 0.000 1.056 274 G HN 0.575 nan 8.290 nan 0.000 0.522 275 K N -1.004 119.445 120.400 0.082 0.000 2.097 275 K HA 0.012 4.333 4.320 0.001 0.000 0.205 275 K C 0.197 176.818 176.600 0.035 0.000 1.050 275 K CA 1.903 58.223 56.287 0.055 0.000 0.938 275 K CB 0.104 32.638 32.500 0.056 0.000 0.718 275 K HN 0.704 nan 8.250 nan 0.000 0.442 276 D N -3.299 117.122 120.400 0.035 0.000 2.677 276 D HA -0.009 4.631 4.640 0.001 0.000 0.298 276 D C 0.264 176.573 176.300 0.016 0.000 1.250 276 D CA -0.738 53.275 54.000 0.020 0.000 0.888 276 D CB 0.452 41.261 40.800 0.015 0.000 1.397 276 D HN -0.065 nan 8.370 nan 0.000 0.461 277 E N -0.224 119.980 120.200 0.006 0.000 2.051 277 E HA -0.271 4.079 4.350 0.001 0.000 0.192 277 E C 0.885 177.483 176.600 -0.004 0.000 0.991 277 E CA 1.707 58.106 56.400 -0.001 0.000 0.799 277 E CB -0.067 29.630 29.700 -0.006 0.000 0.748 277 E HN 0.530 nan 8.360 nan 0.000 0.449 278 D N -0.033 120.366 120.400 -0.002 0.000 2.104 278 D HA -0.170 4.471 4.640 0.001 0.000 0.194 278 D C 1.871 178.168 176.300 -0.004 0.000 0.994 278 D CA 1.375 55.372 54.000 -0.005 0.000 0.830 278 D CB -0.066 40.732 40.800 -0.003 0.000 0.959 278 D HN 0.151 nan 8.370 nan 0.000 0.452 279 N N -0.213 118.493 118.700 0.010 0.000 2.084 279 N HA -0.149 4.592 4.740 0.001 0.000 0.190 279 N C 2.167 177.684 175.510 0.012 0.000 1.030 279 N CA 1.864 54.928 53.050 0.023 0.000 0.849 279 N CB -0.206 38.312 38.487 0.052 0.000 1.012 279 N HN 0.309 nan 8.380 nan 0.000 0.423 280 V N -0.531 119.387 119.914 0.008 0.000 2.407 280 V HA -0.188 3.932 4.120 0.001 0.000 0.248 280 V C 2.097 178.164 176.094 -0.045 0.000 1.055 280 V CA 1.427 63.718 62.300 -0.015 0.000 1.049 280 V CB -0.865 30.951 31.823 -0.011 0.000 0.662 280 V HN 0.175 nan 8.190 nan 0.000 0.455 281 Q N 0.184 119.963 119.800 -0.035 0.000 2.124 281 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 281 Q C 2.544 178.511 176.000 -0.056 0.000 0.977 281 Q CA 1.976 57.753 55.803 -0.043 0.000 0.850 281 Q CB -0.199 28.520 28.738 -0.031 0.000 0.901 281 Q HN 0.647 nan 8.270 nan 0.000 0.429 282 R N -0.271 120.197 120.500 -0.054 0.000 2.092 282 R HA -0.082 4.259 4.340 0.001 0.000 0.231 282 R C 2.314 178.557 176.300 -0.094 0.000 1.119 282 R CA 1.046 57.101 56.100 -0.074 0.000 0.970 282 R CB -0.237 30.018 30.300 -0.074 0.000 0.864 282 R HN 0.090 nan 8.270 nan 0.000 0.440 283 V N 1.238 121.092 119.914 -0.100 0.000 2.295 283 V HA -0.236 3.885 4.120 0.001 0.000 0.246 283 V C 2.164 178.113 176.094 -0.242 0.000 1.049 283 V CA 1.488 63.654 62.300 -0.224 0.000 1.024 283 V CB -0.388 31.248 31.823 -0.311 0.000 0.648 283 V HN 0.181 nan 8.190 nan 0.000 0.447 284 L N 0.985 122.106 121.223 -0.170 0.000 2.042 284 L HA -0.169 4.171 4.340 0.001 0.000 0.210 284 L C 2.824 179.650 176.870 -0.073 0.000 1.076 284 L CA 2.458 57.223 54.840 -0.126 0.000 0.749 284 L CB -1.148 40.858 42.059 -0.089 0.000 0.893 284 L HN 0.594 nan 8.230 nan 0.000 0.432 285 S N -1.676 113.987 115.700 -0.061 0.000 2.400 285 S HA -0.224 4.247 4.470 0.001 0.000 0.232 285 S C 1.814 176.409 174.600 -0.008 0.000 1.025 285 S CA 0.966 59.144 58.200 -0.037 0.000 0.993 285 S CB -0.333 62.840 63.200 -0.045 0.000 0.808 285 S HN 0.498 nan 8.310 nan 0.000 0.478 286 Q N 0.470 120.276 119.800 0.010 0.000 2.163 286 Q HA 0.226 4.566 4.340 0.001 0.000 0.198 286 Q C 2.215 178.321 176.000 0.177 0.000 0.954 286 Q CA 0.877 56.760 55.803 0.133 0.000 0.851 286 Q CB -0.413 28.459 28.738 0.223 0.000 0.928 286 Q HN 0.624 nan 8.270 nan 0.000 0.459 287 M N 0.571 120.222 119.600 0.084 0.000 2.296 287 M HA -0.167 4.313 4.480 0.001 0.000 0.265 287 M C 2.046 178.347 176.300 0.002 0.000 1.064 287 M CA 1.180 56.508 55.300 0.046 0.000 1.109 287 M CB -0.083 32.473 32.600 -0.074 0.000 1.396 287 M HN 0.195 nan 8.290 nan 0.000 0.430 288 E N 0.821 121.018 120.200 -0.005 0.000 2.110 288 E HA -0.211 4.140 4.350 0.001 0.000 0.193 288 E C 1.683 178.265 176.600 -0.029 0.000 0.988 288 E CA 1.213 57.600 56.400 -0.022 0.000 0.804 288 E CB 0.150 29.841 29.700 -0.015 0.000 0.745 288 E HN 0.444 nan 8.360 nan 0.000 0.458 289 K N 0.110 120.515 120.400 0.009 0.000 2.148 289 K HA -0.087 4.234 4.320 0.001 0.000 0.204 289 K C 2.207 178.796 176.600 -0.018 0.000 1.050 289 K CA 1.142 57.435 56.287 0.010 0.000 0.942 289 K CB -0.053 32.484 32.500 0.061 0.000 0.724 289 K HN 0.272 nan 8.250 nan 0.000 0.446 290 I N 0.655 121.221 120.570 -0.007 0.000 2.252 290 I HA -0.237 3.934 4.170 0.001 0.000 0.245 290 I C 2.262 178.253 176.117 -0.209 0.000 1.102 290 I CA 0.874 62.140 61.300 -0.056 0.000 1.385 290 I CB -0.190 37.822 38.000 0.021 0.000 1.064 290 I HN -0.117 nan 8.210 nan 0.000 0.414 291 V N 0.882 120.635 119.914 -0.267 0.000 2.343 291 V HA -0.273 3.848 4.120 0.001 0.000 0.247 291 V C 2.635 178.476 176.094 -0.423 0.000 1.051 291 V CA 1.824 63.809 62.300 -0.525 0.000 1.036 291 V CB -0.712 30.890 31.823 -0.368 0.000 0.654 291 V HN 0.388 nan 8.190 nan 0.000 0.451 292 R N 1.637 122.006 120.500 -0.218 0.000 2.117 292 R HA -0.186 4.154 4.340 0.001 0.000 0.243 292 R C 2.101 178.320 176.300 -0.135 0.000 1.143 292 R CA 2.496 58.509 56.100 -0.146 0.000 0.968 292 R CB -1.153 29.093 30.300 -0.091 0.000 0.863 292 R HN 0.656 nan 8.270 nan 0.000 0.444 293 T N -4.428 110.042 114.554 -0.140 0.000 3.107 293 T HA 0.161 4.511 4.350 0.001 0.000 0.249 293 T C 1.095 175.729 174.700 -0.110 0.000 1.096 293 T CA 0.642 62.682 62.100 -0.099 0.000 1.012 293 T CB 0.304 69.128 68.868 -0.073 0.000 0.977 293 T HN 0.160 nan 8.240 nan 0.000 0.527 294 T N 0.396 114.828 114.554 -0.204 0.000 3.156 294 T HA 0.196 4.547 4.350 0.001 0.000 0.236 294 T C 0.904 175.600 174.700 -0.007 0.000 0.978 294 T CA 0.339 62.328 62.100 -0.186 0.000 1.240 294 T CB -0.091 68.523 68.868 -0.423 0.000 0.951 294 T HN 0.793 nan 8.240 nan 0.000 0.420 295 W N 0.298 121.605 121.300 0.012 0.000 2.534 295 W HA 0.723 5.384 4.660 0.001 0.000 0.339 295 W C 1.046 177.563 176.519 -0.002 0.000 0.961 295 W CA -0.084 57.267 57.345 0.009 0.000 1.545 295 W CB -0.116 29.352 29.460 0.014 0.000 1.104 295 W HN 0.301 nan 8.180 nan 0.000 0.538 296 S N 1.127 116.838 115.700 0.018 0.000 1.577 296 S HA -0.336 4.134 4.470 0.001 0.000 0.240 296 S C 0.135 174.764 174.600 0.048 0.000 0.755 296 S CA 2.246 60.442 58.200 -0.008 0.000 1.398 296 S CB -1.873 61.318 63.200 -0.015 0.000 1.552 296 S HN 0.900 nan 8.310 nan 0.000 0.510 297 N N 0.958 119.803 118.700 0.242 0.000 2.710 297 N HA 0.718 5.459 4.740 0.001 0.000 0.257 297 N C -3.404 172.312 175.510 0.343 0.000 1.327 297 N CA -1.258 51.949 53.050 0.260 0.000 0.861 297 N CB 1.541 40.089 38.487 0.102 0.000 1.532 297 N HN 0.296 nan 8.380 nan 0.000 0.499 298 P HA 0.480 nan 4.420 nan 0.000 0.281 298 P C -2.668 174.597 177.300 -0.058 0.000 1.264 298 P CA -1.311 61.767 63.100 -0.037 0.000 0.824 298 P CB 0.120 31.776 31.700 -0.073 0.000 1.092 299 P HA 0.093 nan 4.420 nan 0.000 0.274 299 P C 0.565 177.784 177.300 -0.134 0.000 1.246 299 P CA -0.137 62.896 63.100 -0.112 0.000 0.795 299 P CB 0.547 32.158 31.700 -0.147 0.000 1.006 300 S N -0.478 115.166 115.700 -0.093 0.000 2.527 300 S HA -0.075 4.396 4.470 0.001 0.000 0.227 300 S C 1.874 176.383 174.600 -0.152 0.000 1.059 300 S CA 0.264 58.393 58.200 -0.119 0.000 0.919 300 S CB -0.589 62.575 63.200 -0.060 0.000 0.805 300 S HN 0.317 nan 8.310 nan 0.000 0.500 301 Q N 2.234 121.965 119.800 -0.114 0.000 2.029 301 Q HA -0.036 4.304 4.340 0.001 0.000 0.209 301 Q C 2.102 177.992 176.000 -0.182 0.000 0.999 301 Q CA 2.590 58.324 55.803 -0.116 0.000 0.857 301 Q CB -1.424 27.271 28.738 -0.071 0.000 0.926 301 Q HN 0.621 nan 8.270 nan 0.000 0.415 302 G N -0.392 108.273 108.800 -0.226 0.000 2.421 302 G HA2 -0.216 3.745 3.960 0.001 0.000 0.216 302 G HA3 -0.216 3.745 3.960 0.001 0.000 0.216 302 G C 1.491 176.124 174.900 -0.445 0.000 1.171 302 G CA 1.161 46.081 45.100 -0.299 0.000 0.775 302 G HN 0.574 nan 8.290 nan 0.000 0.543 303 A N 0.431 122.927 122.820 -0.540 0.000 1.933 303 A HA -0.009 4.311 4.320 0.001 0.000 0.218 303 A C 2.338 179.693 177.584 -0.381 0.000 1.175 303 A CA 1.837 53.423 52.037 -0.752 0.000 0.628 303 A CB -0.425 18.058 19.000 -0.861 0.000 0.814 303 A HN 0.358 nan 8.150 nan 0.000 0.444 304 R N -0.492 119.846 120.500 -0.269 0.000 2.092 304 R HA -0.013 4.327 4.340 0.001 0.000 0.231 304 R C 1.916 178.106 176.300 -0.182 0.000 1.119 304 R CA 1.384 57.379 56.100 -0.174 0.000 0.970 304 R CB -0.337 29.880 30.300 -0.139 0.000 0.864 304 R HN 0.588 nan 8.270 nan 0.000 0.440 305 I N -0.110 120.324 120.570 -0.227 0.000 2.179 305 I HA -0.265 3.906 4.170 0.001 0.000 0.242 305 I C 2.128 178.057 176.117 -0.314 0.000 1.088 305 I CA 1.043 62.213 61.300 -0.217 0.000 1.357 305 I CB -0.163 37.712 38.000 -0.208 0.000 1.051 305 I HN 0.027 nan 8.210 nan 0.000 0.409 306 V N 1.023 120.609 119.914 -0.547 0.000 2.295 306 V HA -0.283 3.838 4.120 0.001 0.000 0.246 306 V C 2.721 178.583 176.094 -0.388 0.000 1.049 306 V CA 1.999 63.809 62.300 -0.816 0.000 1.024 306 V CB -1.036 30.104 31.823 -1.139 0.000 0.648 306 V HN 0.490 nan 8.190 nan 0.000 0.447 307 A N -0.178 122.521 122.820 -0.202 0.000 1.902 307 A HA -0.235 4.085 4.320 0.001 0.000 0.217 307 A C 2.399 179.925 177.584 -0.098 0.000 1.181 307 A CA 2.570 54.539 52.037 -0.113 0.000 0.623 307 A CB -1.018 17.958 19.000 -0.039 0.000 0.818 307 A HN 0.511 nan 8.150 nan 0.000 0.443 308 T N -0.201 114.298 114.554 -0.093 0.000 2.746 308 T HA -0.121 4.229 4.350 0.001 0.000 0.267 308 T C 2.010 176.702 174.700 -0.013 0.000 1.039 308 T CA 1.958 64.027 62.100 -0.051 0.000 1.142 308 T CB -0.573 68.265 68.868 -0.050 0.000 0.866 308 T HN 0.566 nan 8.240 nan 0.000 0.444 309 T N 2.512 117.064 114.554 -0.003 0.000 2.746 309 T HA 0.063 4.414 4.350 0.001 0.000 0.267 309 T C 1.955 176.752 174.700 0.161 0.000 1.039 309 T CA 0.868 63.026 62.100 0.096 0.000 1.142 309 T CB -0.410 68.553 68.868 0.158 0.000 0.866 309 T HN 0.273 nan 8.240 nan 0.000 0.444 310 L N 1.341 122.603 121.223 0.065 0.000 2.217 310 L HA -0.024 4.316 4.340 0.001 0.000 0.211 310 L C 2.775 179.588 176.870 -0.095 0.000 1.107 310 L CA 1.346 56.197 54.840 0.018 0.000 0.783 310 L CB -0.932 41.071 42.059 -0.092 0.000 0.919 310 L HN 0.438 nan 8.230 nan 0.000 0.442 311 T N -5.080 109.441 114.554 -0.054 0.000 3.081 311 T HA 0.025 4.375 4.350 0.001 0.000 0.250 311 T C 0.872 175.560 174.700 -0.019 0.000 1.100 311 T CA -0.010 62.052 62.100 -0.064 0.000 1.038 311 T CB 0.157 68.988 68.868 -0.061 0.000 0.962 311 T HN 0.118 nan 8.240 nan 0.000 0.516 312 S N 2.076 117.797 115.700 0.035 0.000 2.433 312 S HA 0.470 4.941 4.470 0.001 0.000 0.310 312 S C -1.923 172.749 174.600 0.121 0.000 1.097 312 S CA -1.680 56.557 58.200 0.061 0.000 1.103 312 S CB 1.622 64.858 63.200 0.061 0.000 0.992 312 S HN -0.068 nan 8.310 nan 0.000 0.469 313 P HA -0.125 nan 4.420 nan 0.000 0.215 313 P C 1.427 178.832 177.300 0.175 0.000 1.153 313 P CA 0.943 64.136 63.100 0.154 0.000 0.853 313 P CB 0.159 31.919 31.700 0.099 0.000 0.788 314 Q N -0.223 119.647 119.800 0.116 0.000 2.079 314 Q HA -0.073 4.268 4.340 0.001 0.000 0.200 314 Q C 2.091 178.157 176.000 0.110 0.000 0.974 314 Q CA 1.503 57.363 55.803 0.095 0.000 0.840 314 Q CB -1.247 27.529 28.738 0.062 0.000 0.898 314 Q HN 0.198 nan 8.270 nan 0.000 0.430 315 L N -0.776 120.526 121.223 0.131 0.000 2.093 315 L HA -0.103 4.237 4.340 0.001 0.000 0.208 315 L C 2.156 179.161 176.870 0.226 0.000 1.085 315 L CA 0.946 55.872 54.840 0.143 0.000 0.755 315 L CB -0.552 41.580 42.059 0.123 0.000 0.904 315 L HN 0.213 nan 8.230 nan 0.000 0.435 316 F N 1.175 121.201 119.950 0.126 0.000 2.126 316 F HA -0.232 4.295 4.527 0.001 0.000 0.299 316 F C 2.410 178.317 175.800 0.178 0.000 1.096 316 F CA 1.226 59.345 58.000 0.198 0.000 1.255 316 F CB -0.304 38.791 39.000 0.158 0.000 0.997 316 F HN -0.006 nan 8.300 nan 0.000 0.479 317 A N -0.276 122.556 122.820 0.020 0.000 1.930 317 A HA -0.209 4.112 4.320 0.001 0.000 0.217 317 A C 2.244 179.762 177.584 -0.110 0.000 1.175 317 A CA 1.649 53.620 52.037 -0.111 0.000 0.627 317 A CB -0.967 18.031 19.000 -0.004 0.000 0.815 317 A HN 0.565 nan 8.150 nan 0.000 0.443 318 E N -1.544 118.647 120.200 -0.016 0.000 2.106 318 E HA -0.235 4.115 4.350 0.001 0.000 0.192 318 E C 1.766 178.354 176.600 -0.021 0.000 0.984 318 E CA 1.308 57.701 56.400 -0.010 0.000 0.806 318 E CB -0.291 29.426 29.700 0.029 0.000 0.750 318 E HN 0.756 nan 8.360 nan 0.000 0.458 319 W N 1.959 123.138 121.300 -0.201 0.000 2.355 319 W HA -0.149 4.512 4.660 0.001 0.000 0.309 319 W C 1.785 178.110 176.519 -0.324 0.000 1.206 319 W CA 1.725 58.892 57.345 -0.296 0.000 1.284 319 W CB -0.182 29.079 29.460 -0.332 0.000 1.145 319 W HN -0.089 nan 8.180 nan 0.000 0.502 320 K N -0.199 119.853 120.400 -0.580 0.000 2.103 320 K HA -0.221 4.100 4.320 0.001 0.000 0.207 320 K C 1.788 178.099 176.600 -0.482 0.000 1.048 320 K CA 1.771 57.623 56.287 -0.724 0.000 0.930 320 K CB -0.580 31.541 32.500 -0.631 0.000 0.716 320 K HN 0.243 nan 8.250 nan 0.000 0.444 321 D N 0.723 120.939 120.400 -0.306 0.000 2.117 321 D HA -0.102 4.539 4.640 0.001 0.000 0.198 321 D C 1.516 177.715 176.300 -0.169 0.000 0.982 321 D CA 1.027 54.909 54.000 -0.195 0.000 0.828 321 D CB -0.087 40.648 40.800 -0.108 0.000 0.967 321 D HN 0.306 nan 8.370 nan 0.000 0.464 322 N N 0.022 118.625 118.700 -0.161 0.000 2.120 322 N HA -0.132 4.609 4.740 0.001 0.000 0.188 322 N C 2.019 177.436 175.510 -0.155 0.000 1.024 322 N CA 0.621 53.641 53.050 -0.051 0.000 0.852 322 N CB 0.175 38.609 38.487 -0.088 0.000 1.003 322 N HN -0.033 nan 8.380 nan 0.000 0.424 323 V N 1.567 121.225 119.914 -0.427 0.000 2.343 323 V HA -0.244 3.877 4.120 0.001 0.000 0.247 323 V C 2.276 178.114 176.094 -0.427 0.000 1.051 323 V CA 1.563 63.561 62.300 -0.502 0.000 1.036 323 V CB -0.440 30.927 31.823 -0.760 0.000 0.654 323 V HN 0.311 nan 8.190 nan 0.000 0.451 324 K N -0.212 119.975 120.400 -0.354 0.000 2.209 324 K HA -0.166 4.155 4.320 0.001 0.000 0.204 324 K C 2.050 178.511 176.600 -0.232 0.000 1.048 324 K CA 1.778 57.902 56.287 -0.272 0.000 0.940 324 K CB -0.280 32.089 32.500 -0.218 0.000 0.729 324 K HN 0.479 nan 8.250 nan 0.000 0.451 325 T N 1.115 115.552 114.554 -0.195 0.000 2.746 325 T HA -0.117 4.233 4.350 0.001 0.000 0.267 325 T C 1.727 176.280 174.700 -0.246 0.000 1.039 325 T CA 1.640 63.639 62.100 -0.168 0.000 1.142 325 T CB -0.093 68.721 68.868 -0.089 0.000 0.866 325 T HN 0.248 nan 8.240 nan 0.000 0.444 326 M N 0.793 120.160 119.600 -0.388 0.000 2.099 326 M HA -0.010 4.471 4.480 0.001 0.000 0.262 326 M C 2.864 178.882 176.300 -0.469 0.000 1.067 326 M CA 1.497 56.430 55.300 -0.611 0.000 1.124 326 M CB -0.486 31.476 32.600 -1.062 0.000 1.353 326 M HN 0.293 nan 8.290 nan 0.000 0.410 327 A N 0.469 122.965 122.820 -0.539 0.000 1.902 327 A HA -0.185 4.135 4.320 0.001 0.000 0.217 327 A C 1.715 179.193 177.584 -0.177 0.000 1.181 327 A CA 1.979 53.790 52.037 -0.377 0.000 0.623 327 A CB -0.715 18.089 19.000 -0.328 0.000 0.818 327 A HN 0.384 nan 8.150 nan 0.000 0.443 328 D N -0.877 119.428 120.400 -0.158 0.000 2.144 328 D HA -0.125 4.516 4.640 0.001 0.000 0.199 328 D C 2.063 178.327 176.300 -0.061 0.000 0.984 328 D CA 1.052 54.995 54.000 -0.096 0.000 0.834 328 D CB -0.310 40.433 40.800 -0.095 0.000 0.955 328 D HN 0.487 nan 8.370 nan 0.000 0.465 329 R N 0.512 120.982 120.500 -0.050 0.000 2.081 329 R HA -0.091 4.250 4.340 0.001 0.000 0.235 329 R C 2.148 178.461 176.300 0.022 0.000 1.131 329 R CA 0.817 56.917 56.100 0.000 0.000 0.960 329 R CB -0.182 30.153 30.300 0.058 0.000 0.856 329 R HN 0.007 nan 8.270 nan 0.000 0.436 330 V N 1.333 121.276 119.914 0.047 0.000 2.407 330 V HA -0.245 3.876 4.120 0.001 0.000 0.248 330 V C 2.305 178.413 176.094 0.023 0.000 1.055 330 V CA 1.575 63.910 62.300 0.059 0.000 1.049 330 V CB -0.343 31.546 31.823 0.110 0.000 0.662 330 V HN 0.337 nan 8.190 nan 0.000 0.455 331 L N -0.937 120.287 121.223 0.001 0.000 2.042 331 L HA -0.210 4.131 4.340 0.001 0.000 0.210 331 L C 2.430 179.298 176.870 -0.003 0.000 1.076 331 L CA 1.310 56.149 54.840 -0.002 0.000 0.749 331 L CB -0.587 41.463 42.059 -0.016 0.000 0.893 331 L HN 0.332 nan 8.230 nan 0.000 0.432 332 L N -0.757 120.460 121.223 -0.010 0.000 2.017 332 L HA -0.219 4.121 4.340 0.001 0.000 0.208 332 L C 2.499 179.363 176.870 -0.010 0.000 1.073 332 L CA 1.845 56.677 54.840 -0.013 0.000 0.745 332 L CB -0.391 41.655 42.059 -0.021 0.000 0.894 332 L HN 0.170 nan 8.230 nan 0.000 0.432 333 M N -0.908 118.688 119.600 -0.007 0.000 2.213 333 M HA -0.172 4.308 4.480 0.001 0.000 0.263 333 M C 2.384 178.681 176.300 -0.005 0.000 1.062 333 M CA 1.491 56.786 55.300 -0.008 0.000 1.105 333 M CB -1.157 31.439 32.600 -0.006 0.000 1.385 333 M HN 0.297 nan 8.290 nan 0.000 0.417 334 R N -0.608 119.895 120.500 0.005 0.000 2.073 334 R HA -0.102 4.239 4.340 0.001 0.000 0.234 334 R C 2.577 178.880 176.300 0.005 0.000 1.134 334 R CA 1.775 57.881 56.100 0.009 0.000 0.952 334 R CB -0.641 29.672 30.300 0.021 0.000 0.850 334 R HN 0.308 nan 8.270 nan 0.000 0.433 335 S N 0.678 116.380 115.700 0.004 0.000 2.370 335 S HA -0.155 4.316 4.470 0.001 0.000 0.226 335 S C 1.765 176.362 174.600 -0.006 0.000 1.033 335 S CA 1.285 59.487 58.200 0.003 0.000 1.011 335 S CB -0.041 63.160 63.200 0.001 0.000 0.852 335 S HN 0.267 nan 8.310 nan 0.000 0.457 336 E N 0.537 120.730 120.200 -0.013 0.000 2.072 336 E HA -0.102 4.249 4.350 0.001 0.000 0.191 336 E C 2.125 178.704 176.600 -0.035 0.000 0.985 336 E CA 0.839 57.227 56.400 -0.021 0.000 0.801 336 E CB -0.494 29.194 29.700 -0.021 0.000 0.750 336 E HN 0.459 nan 8.360 nan 0.000 0.452 337 L N 1.600 122.799 121.223 -0.040 0.000 2.027 337 L HA -0.122 4.219 4.340 0.001 0.000 0.206 337 L C 2.644 179.456 176.870 -0.096 0.000 1.074 337 L CA 1.692 56.489 54.840 -0.072 0.000 0.745 337 L CB -0.414 41.604 42.059 -0.068 0.000 0.898 337 L HN -0.056 nan 8.230 nan 0.000 0.433 338 R N -1.071 119.398 120.500 -0.052 0.000 2.096 338 R HA -0.184 4.157 4.340 0.001 0.000 0.240 338 R C 2.303 178.591 176.300 -0.021 0.000 1.139 338 R CA 1.912 58.002 56.100 -0.017 0.000 0.952 338 R CB -0.417 29.908 30.300 0.041 0.000 0.854 338 R HN 0.410 nan 8.270 nan 0.000 0.436 339 S N -0.005 115.684 115.700 -0.019 0.000 2.359 339 S HA -0.126 4.345 4.470 0.001 0.000 0.224 339 S C 1.869 176.444 174.600 -0.041 0.000 1.035 339 S CA 1.494 59.684 58.200 -0.016 0.000 1.018 339 S CB -0.168 63.025 63.200 -0.013 0.000 0.876 339 S HN 0.379 nan 8.310 nan 0.000 0.448 340 R N 0.608 121.067 120.500 -0.068 0.000 2.073 340 R HA 0.047 4.388 4.340 0.001 0.000 0.234 340 R C 2.276 178.497 176.300 -0.131 0.000 1.134 340 R CA 1.144 57.190 56.100 -0.090 0.000 0.952 340 R CB -0.448 29.795 30.300 -0.094 0.000 0.850 340 R HN 0.346 nan 8.270 nan 0.000 0.433 341 L N 0.418 121.522 121.223 -0.198 0.000 2.042 341 L HA -0.240 4.101 4.340 0.001 0.000 0.210 341 L C 2.184 178.959 176.870 -0.158 0.000 1.076 341 L CA 1.610 56.259 54.840 -0.319 0.000 0.749 341 L CB -0.485 41.142 42.059 -0.721 0.000 0.893 341 L HN 0.308 nan 8.230 nan 0.000 0.432 342 E N -0.088 120.078 120.200 -0.056 0.000 2.051 342 E HA -0.199 4.152 4.350 0.001 0.000 0.192 342 E C 2.270 178.880 176.600 0.017 0.000 0.991 342 E CA 1.603 58.031 56.400 0.047 0.000 0.799 342 E CB -0.109 29.641 29.700 0.083 0.000 0.748 342 E HN 0.503 nan 8.360 nan 0.000 0.449 343 S N 0.495 116.183 115.700 -0.020 0.000 2.474 343 S HA -0.087 4.384 4.470 0.001 0.000 0.235 343 S C 1.832 176.395 174.600 -0.062 0.000 0.997 343 S CA 0.501 58.683 58.200 -0.030 0.000 0.949 343 S CB -0.007 63.172 63.200 -0.035 0.000 0.766 343 S HN 0.064 nan 8.310 nan 0.000 0.517 344 L N 1.596 122.757 121.223 -0.103 0.000 2.418 344 L HA 0.376 4.716 4.340 0.001 0.000 0.218 344 L C 1.696 178.471 176.870 -0.160 0.000 1.125 344 L CA 1.024 55.735 54.840 -0.216 0.000 0.835 344 L CB -0.972 40.887 42.059 -0.333 0.000 0.953 344 L HN 0.628 nan 8.230 nan 0.000 0.454 345 G N -0.188 108.613 108.800 0.001 0.000 2.204 345 G HA2 -0.261 3.699 3.960 0.001 0.000 0.244 345 G HA3 -0.261 3.699 3.960 0.001 0.000 0.244 345 G C 0.365 175.411 174.900 0.244 0.000 1.062 345 G CA 0.358 45.522 45.100 0.107 0.000 0.798 345 G HN 0.296 nan 8.290 nan 0.000 0.496 346 T N 2.322 117.048 114.554 0.286 0.000 2.853 346 T HA 0.428 4.779 4.350 0.001 0.000 0.298 346 T C -1.593 173.359 174.700 0.419 0.000 0.978 346 T CA -0.354 61.975 62.100 0.382 0.000 1.152 346 T CB 1.254 70.255 68.868 0.223 0.000 0.914 346 T HN 0.218 nan 8.240 nan 0.000 0.539 347 P HA 0.344 nan 4.420 nan 0.000 0.266 347 P C 0.704 178.135 177.300 0.218 0.000 1.193 347 P CA 0.701 63.921 63.100 0.200 0.000 0.770 347 P CB 0.149 31.903 31.700 0.090 0.000 0.836 348 G N 1.267 110.092 108.800 0.041 0.000 2.685 348 G HA2 0.048 4.009 3.960 0.001 0.000 0.387 348 G HA3 0.048 4.009 3.960 0.001 0.000 0.387 348 G C -0.652 174.079 174.900 -0.281 0.000 1.324 348 G CA -0.314 44.678 45.100 -0.181 0.000 0.878 348 G HN 0.794 nan 8.290 nan 0.000 0.527 349 T N -3.089 111.189 114.554 -0.459 0.000 2.859 349 T HA 0.617 4.967 4.350 0.001 0.000 0.281 349 T C 0.067 174.479 174.700 -0.481 0.000 1.005 349 T CA -0.091 61.830 62.100 -0.298 0.000 1.025 349 T CB 1.911 70.698 68.868 -0.136 0.000 0.977 349 T HN 0.850 nan 8.240 nan 0.000 0.458 350 W N 1.330 122.745 121.300 0.192 0.000 2.653 350 W HA 0.213 4.874 4.660 0.001 0.000 0.391 350 W C 1.331 177.898 176.519 0.080 0.000 0.962 350 W CA -0.711 56.726 57.345 0.153 0.000 1.900 350 W CB -0.136 29.355 29.460 0.051 0.000 1.176 350 W HN 0.850 nan 8.180 nan 0.000 0.582 351 N N -0.086 118.775 118.700 0.268 0.000 2.381 351 N HA -0.256 4.485 4.740 0.001 0.000 0.182 351 N C 1.712 177.341 175.510 0.199 0.000 1.025 351 N CA 1.720 54.882 53.050 0.186 0.000 0.888 351 N CB -0.827 37.735 38.487 0.125 0.000 0.965 351 N HN 0.238 nan 8.380 nan 0.000 0.438 352 H N 0.707 119.856 119.070 0.132 0.000 2.489 352 H HA -0.014 4.542 4.556 0.001 0.000 0.293 352 H C 1.487 176.935 175.328 0.200 0.000 1.066 352 H CA 0.683 56.835 56.048 0.173 0.000 1.305 352 H CB -0.351 29.553 29.762 0.237 0.000 1.386 352 H HN 0.203 nan 8.280 nan 0.000 0.551 353 I N 2.222 122.686 120.570 -0.176 0.000 2.286 353 I HA -0.172 3.998 4.170 0.001 0.000 0.248 353 I C 2.249 178.383 176.117 0.029 0.000 1.115 353 I CA 1.796 63.051 61.300 -0.075 0.000 1.392 353 I CB -1.278 36.695 38.000 -0.045 0.000 1.065 353 I HN 0.460 nan 8.210 nan 0.000 0.418 354 T N -3.308 111.279 114.554 0.054 0.000 3.037 354 T HA 0.059 4.410 4.350 0.001 0.000 0.251 354 T C 1.336 176.078 174.700 0.070 0.000 1.079 354 T CA 0.161 62.295 62.100 0.057 0.000 1.067 354 T CB 0.051 68.948 68.868 0.049 0.000 0.948 354 T HN 0.095 nan 8.240 nan 0.000 0.496 355 D N 1.609 122.068 120.400 0.097 0.000 2.194 355 D HA 0.063 4.704 4.640 0.001 0.000 0.204 355 D C 1.032 177.402 176.300 0.116 0.000 0.964 355 D CA 0.595 54.657 54.000 0.103 0.000 0.846 355 D CB -0.102 40.775 40.800 0.129 0.000 0.962 355 D HN 0.551 nan 8.370 nan 0.000 0.490 356 Q N 0.032 119.914 119.800 0.137 0.000 2.417 356 Q HA 0.259 4.600 4.340 0.001 0.000 0.241 356 Q C -0.261 175.804 176.000 0.108 0.000 1.008 356 Q CA 0.014 55.904 55.803 0.144 0.000 0.901 356 Q CB 1.424 30.268 28.738 0.177 0.000 1.259 356 Q HN 0.015 nan 8.270 nan 0.000 0.489 357 I N 0.514 121.151 120.570 0.111 0.000 2.689 357 I HA 0.567 4.737 4.170 0.001 0.000 0.299 357 I C 0.667 176.818 176.117 0.056 0.000 1.059 357 I CA 0.226 61.581 61.300 0.091 0.000 1.055 357 I CB 0.891 38.961 38.000 0.116 0.000 1.243 357 I HN 0.871 nan 8.210 nan 0.000 0.425 358 G N 5.425 114.248 108.800 0.038 0.000 2.508 358 G HA2 -0.222 3.738 3.960 0.001 0.000 0.220 358 G HA3 -0.222 3.738 3.960 0.001 0.000 0.220 358 G C 0.541 175.367 174.900 -0.124 0.000 1.287 358 G CA 0.099 45.174 45.100 -0.042 0.000 0.916 358 G HN 0.432 nan 8.290 nan 0.000 0.574 359 M N -0.389 118.915 119.600 -0.493 0.000 2.200 359 M HA 0.217 4.698 4.480 0.001 0.000 0.265 359 M C 0.634 176.612 176.300 -0.537 0.000 1.066 359 M CA 1.299 56.221 55.300 -0.629 0.000 1.127 359 M CB -0.101 31.716 32.600 -1.306 0.000 1.379 359 M HN 0.269 nan 8.290 nan 0.000 0.420 360 F N -0.752 119.152 119.950 -0.078 0.000 2.432 360 F HA 0.386 4.914 4.527 0.001 0.000 0.329 360 F C 0.293 176.116 175.800 0.038 0.000 1.076 360 F CA -0.920 57.075 58.000 -0.009 0.000 1.018 360 F CB 1.175 40.160 39.000 -0.025 0.000 1.201 360 F HN -0.289 nan 8.300 nan 0.000 0.489 361 S N 1.348 117.228 115.700 0.300 0.000 2.538 361 S HA 0.500 4.970 4.470 0.001 0.000 0.288 361 S C -1.526 173.256 174.600 0.304 0.000 1.108 361 S CA -0.474 57.873 58.200 0.245 0.000 0.971 361 S CB 0.796 64.097 63.200 0.169 0.000 1.041 361 S HN 0.363 nan 8.310 nan 0.000 0.483 362 F N 3.528 123.500 119.950 0.037 0.000 2.350 362 F HA 0.260 4.787 4.527 0.001 0.000 0.365 362 F C 1.894 177.797 175.800 0.171 0.000 1.122 362 F CA -0.903 57.052 58.000 -0.075 0.000 1.139 362 F CB 0.738 39.407 39.000 -0.550 0.000 1.220 362 F HN 0.740 nan 8.300 nan 0.000 0.499 363 T N 0.467 115.091 114.554 0.116 0.000 2.857 363 T HA 0.139 4.490 4.350 0.001 0.000 0.266 363 T C 1.704 176.567 174.700 0.273 0.000 1.048 363 T CA 1.010 63.294 62.100 0.306 0.000 1.139 363 T CB -0.425 68.576 68.868 0.222 0.000 0.874 363 T HN 1.069 nan 8.240 nan 0.000 0.455 364 G N 0.936 109.732 108.800 -0.007 0.000 2.179 364 G HA2 -0.157 3.803 3.960 0.001 0.000 0.220 364 G HA3 -0.157 3.803 3.960 0.001 0.000 0.220 364 G C -0.028 174.865 174.900 -0.011 0.000 0.990 364 G CA -0.072 45.028 45.100 -0.001 0.000 0.646 364 G HN 0.633 nan 8.290 nan 0.000 0.517 365 L N 1.908 123.128 121.223 -0.005 0.000 2.453 365 L HA 0.287 4.628 4.340 0.001 0.000 0.272 365 L C 1.085 177.926 176.870 -0.050 0.000 1.182 365 L CA -0.298 54.543 54.840 0.001 0.000 0.858 365 L CB 0.340 42.409 42.059 0.017 0.000 1.120 365 L HN 0.561 nan 8.230 nan 0.000 0.474 366 N N 4.040 122.723 118.700 -0.028 0.000 2.408 366 N HA 0.241 4.982 4.740 0.001 0.000 0.260 366 N C -2.216 173.276 175.510 -0.029 0.000 1.242 366 N CA -1.699 51.332 53.050 -0.032 0.000 0.959 366 N CB 0.047 38.521 38.487 -0.022 0.000 1.201 366 N HN 0.146 nan 8.380 nan 0.000 0.511 367 P HA -0.173 nan 4.420 nan 0.000 0.216 367 P C 0.814 178.107 177.300 -0.010 0.000 1.150 367 P CA 1.801 64.888 63.100 -0.021 0.000 0.837 367 P CB 0.047 31.737 31.700 -0.017 0.000 0.786 368 K N 0.105 120.500 120.400 -0.008 0.000 2.155 368 K HA -0.099 4.222 4.320 0.001 0.000 0.203 368 K C 1.909 178.521 176.600 0.020 0.000 1.052 368 K CA 1.295 57.583 56.287 0.002 0.000 0.948 368 K CB -1.127 31.369 32.500 -0.006 0.000 0.728 368 K HN 0.290 nan 8.250 nan 0.000 0.448 369 Q N 0.963 120.766 119.800 0.006 0.000 2.119 369 Q HA -0.033 4.308 4.340 0.001 0.000 0.201 369 Q C 2.239 178.281 176.000 0.071 0.000 0.972 369 Q CA 1.095 56.913 55.803 0.025 0.000 0.847 369 Q CB -0.150 28.586 28.738 -0.005 0.000 0.903 369 Q HN 0.068 nan 8.270 nan 0.000 0.433 370 V N 1.258 121.186 119.914 0.023 0.000 2.358 370 V HA -0.244 3.877 4.120 0.001 0.000 0.246 370 V C 2.228 178.312 176.094 -0.018 0.000 1.047 370 V CA 1.916 64.215 62.300 -0.002 0.000 1.035 370 V CB -0.514 31.292 31.823 -0.027 0.000 0.658 370 V HN 0.425 nan 8.190 nan 0.000 0.452 371 E N -0.353 119.845 120.200 -0.003 0.000 2.077 371 E HA -0.298 4.053 4.350 0.001 0.000 0.193 371 E C 2.209 178.790 176.600 -0.032 0.000 0.989 371 E CA 1.854 58.239 56.400 -0.026 0.000 0.800 371 E CB -0.280 29.417 29.700 -0.006 0.000 0.746 371 E HN 0.713 nan 8.360 nan 0.000 0.452 372 Y N 1.006 121.252 120.300 -0.090 0.000 2.145 372 Y HA -0.246 4.304 4.550 0.001 0.000 0.286 372 Y C 2.271 178.098 175.900 -0.121 0.000 1.145 372 Y CA 2.054 60.098 58.100 -0.092 0.000 1.148 372 Y CB -0.212 38.206 38.460 -0.070 0.000 0.981 372 Y HN 0.032 nan 8.280 nan 0.000 0.507 373 M N -0.121 119.407 119.600 -0.120 0.000 2.106 373 M HA -0.240 4.241 4.480 0.001 0.000 0.259 373 M C 2.215 178.309 176.300 -0.344 0.000 1.068 373 M CA 1.786 56.950 55.300 -0.227 0.000 1.100 373 M CB -1.096 31.458 32.600 -0.077 0.000 1.351 373 M HN 0.416 nan 8.290 nan 0.000 0.404 374 I N -0.270 120.094 120.570 -0.343 0.000 2.141 374 I HA -0.283 3.887 4.170 0.001 0.000 0.236 374 I C 2.627 178.402 176.117 -0.569 0.000 1.071 374 I CA 1.192 62.182 61.300 -0.518 0.000 1.345 374 I CB -0.483 37.247 38.000 -0.450 0.000 1.066 374 I HN 0.254 nan 8.210 nan 0.000 0.406 375 K N 0.883 121.036 120.400 -0.410 0.000 2.032 375 K HA -0.259 4.061 4.320 0.001 0.000 0.209 375 K C 2.055 178.364 176.600 -0.484 0.000 1.048 375 K CA 2.022 58.087 56.287 -0.369 0.000 0.927 375 K CB 0.032 32.415 32.500 -0.195 0.000 0.712 375 K HN 0.159 nan 8.250 nan 0.000 0.441 376 E N -0.624 119.282 120.200 -0.489 0.000 2.166 376 E HA -0.003 4.348 4.350 0.001 0.000 0.192 376 E C 1.185 177.574 176.600 -0.352 0.000 0.967 376 E CA 0.686 56.821 56.400 -0.442 0.000 0.840 376 E CB 0.459 29.802 29.700 -0.595 0.000 0.795 376 E HN 0.059 nan 8.360 nan 0.000 0.470 377 K N -0.337 119.810 120.400 -0.420 0.000 2.353 377 K HA 0.122 4.443 4.320 0.001 0.000 0.195 377 K C -0.356 176.347 176.600 0.172 0.000 1.031 377 K CA 0.172 56.406 56.287 -0.088 0.000 1.079 377 K CB 0.247 32.599 32.500 -0.248 0.000 0.857 377 K HN 0.246 nan 8.250 nan 0.000 0.535 378 H N -0.080 118.954 119.070 -0.059 0.000 2.862 378 H HA -0.160 4.397 4.556 0.001 0.000 0.290 378 H C -0.398 175.011 175.328 0.134 0.000 1.211 378 H CA 0.578 56.645 56.048 0.030 0.000 1.140 378 H CB -2.114 27.749 29.762 0.168 0.000 1.341 378 H HN 0.157 nan 8.280 nan 0.000 0.392 379 I N 1.491 122.061 120.570 0.001 0.000 2.328 379 I HA 0.149 4.319 4.170 0.001 0.000 0.287 379 I C 0.102 176.182 176.117 -0.060 0.000 1.012 379 I CA -0.562 60.790 61.300 0.086 0.000 1.195 379 I CB 0.543 38.555 38.000 0.020 0.000 1.350 379 I HN -0.045 nan 8.210 nan 0.000 0.464 380 Y N 7.497 127.848 120.300 0.084 0.000 2.365 380 Y HA 0.578 5.128 4.550 0.001 0.000 0.340 380 Y C 0.246 176.150 175.900 0.007 0.000 1.016 380 Y CA -0.571 57.560 58.100 0.052 0.000 1.196 380 Y CB 0.866 39.382 38.460 0.094 0.000 1.167 380 Y HN 0.404 nan 8.280 nan 0.000 0.509 381 L N 0.301 121.576 121.223 0.087 0.000 2.479 381 L HA 0.685 5.025 4.340 0.001 0.000 0.255 381 L C -0.907 175.983 176.870 0.033 0.000 1.026 381 L CA -1.431 53.442 54.840 0.055 0.000 0.842 381 L CB 1.686 43.763 42.059 0.029 0.000 1.444 381 L HN 0.236 nan 8.230 nan 0.000 0.409 382 M N 1.362 120.972 119.600 0.016 0.000 2.240 382 M HA 0.205 4.686 4.480 0.001 0.000 0.333 382 M C 1.388 177.673 176.300 -0.026 0.000 1.110 382 M CA 0.453 55.748 55.300 -0.008 0.000 1.173 382 M CB 0.968 33.552 32.600 -0.027 0.000 1.458 382 M HN 1.001 nan 8.290 nan 0.000 0.458 383 A N 1.815 124.620 122.820 -0.026 0.000 2.032 383 A HA -0.144 4.177 4.320 0.001 0.000 0.221 383 A C 2.063 179.614 177.584 -0.056 0.000 1.165 383 A CA 2.205 54.222 52.037 -0.033 0.000 0.645 383 A CB -0.800 18.185 19.000 -0.024 0.000 0.807 383 A HN 0.925 nan 8.150 nan 0.000 0.453 384 S N -1.902 113.761 115.700 -0.061 0.000 2.555 384 S HA 0.323 4.794 4.470 0.001 0.000 0.230 384 S C 1.470 175.885 174.600 -0.308 0.000 0.978 384 S CA 1.137 59.268 58.200 -0.114 0.000 0.934 384 S CB -0.457 62.754 63.200 0.018 0.000 0.766 384 S HN 1.966 nan 8.310 nan 0.000 0.533 385 G N 1.282 109.959 108.800 -0.204 0.000 2.157 385 G HA2 -0.296 3.665 3.960 0.001 0.000 0.248 385 G HA3 -0.296 3.665 3.960 0.001 0.000 0.248 385 G C 0.070 174.853 174.900 -0.194 0.000 0.979 385 G CA 0.066 45.036 45.100 -0.218 0.000 0.650 385 G HN 0.748 nan 8.290 nan 0.000 0.529 386 R N 0.789 121.223 120.500 -0.109 0.000 2.491 386 R HA 0.523 4.864 4.340 0.001 0.000 0.283 386 R C 0.756 177.113 176.300 0.095 0.000 1.072 386 R CA 0.056 56.200 56.100 0.074 0.000 1.048 386 R CB 0.055 30.407 30.300 0.087 0.000 0.983 386 R HN 0.689 nan 8.270 nan 0.000 0.450 387 I N 0.958 121.633 120.570 0.175 0.000 2.569 387 I HA 0.400 4.571 4.170 0.001 0.000 0.296 387 I C -0.897 175.391 176.117 0.286 0.000 1.028 387 I CA -1.246 60.158 61.300 0.175 0.000 1.082 387 I CB 2.053 40.118 38.000 0.108 0.000 1.264 387 I HN 0.451 nan 8.210 nan 0.000 0.429 388 N N 6.112 124.953 118.700 0.234 0.000 2.437 388 N HA 0.263 5.003 4.740 0.001 0.000 0.243 388 N C 0.594 176.132 175.510 0.046 0.000 1.041 388 N CA -0.543 52.607 53.050 0.165 0.000 0.940 388 N CB 0.947 39.520 38.487 0.143 0.000 1.133 388 N HN 0.685 nan 8.380 nan 0.000 0.506 389 M N 1.825 121.432 119.600 0.012 0.000 2.358 389 M HA -0.110 4.370 4.480 0.001 0.000 0.264 389 M C 1.458 177.755 176.300 -0.005 0.000 1.064 389 M CA 0.599 55.905 55.300 0.011 0.000 1.093 389 M CB -1.202 31.409 32.600 0.019 0.000 1.401 389 M HN 0.588 nan 8.290 nan 0.000 0.440 390 C N -0.026 119.266 119.300 -0.014 0.000 2.437 390 C HA 0.030 4.491 4.460 0.001 0.000 0.283 390 C C 2.684 177.599 174.990 -0.125 0.000 1.424 390 C CA 0.672 59.657 59.018 -0.054 0.000 1.782 390 C CB -1.954 25.779 27.740 -0.010 0.000 1.833 390 C HN 0.688 nan 8.230 nan 0.000 0.532 391 G N 0.104 108.858 108.800 -0.077 0.000 2.650 391 G HA2 0.143 4.103 3.960 0.001 0.000 0.214 391 G HA3 0.143 4.103 3.960 0.001 0.000 0.214 391 G C 0.558 175.425 174.900 -0.055 0.000 1.136 391 G CA 0.049 45.099 45.100 -0.083 0.000 0.789 391 G HN 0.487 nan 8.290 nan 0.000 0.536 392 L N 1.718 122.916 121.223 -0.042 0.000 2.371 392 L HA 0.465 4.806 4.340 0.001 0.000 0.272 392 L C 0.712 177.557 176.870 -0.041 0.000 1.124 392 L CA -0.369 54.456 54.840 -0.025 0.000 0.816 392 L CB 1.433 43.483 42.059 -0.015 0.000 1.129 392 L HN 0.138 nan 8.230 nan 0.000 0.448 393 T N -3.242 111.298 114.554 -0.024 0.000 2.865 393 T HA 0.239 4.589 4.350 0.001 0.000 0.294 393 T C 0.910 175.599 174.700 -0.018 0.000 1.119 393 T CA -0.070 62.010 62.100 -0.033 0.000 1.007 393 T CB 1.585 70.433 68.868 -0.034 0.000 1.225 393 T HN 0.667 nan 8.240 nan 0.000 0.515 394 T N -0.792 113.748 114.554 -0.024 0.000 2.881 394 T HA -0.067 4.284 4.350 0.001 0.000 0.270 394 T C 1.399 176.095 174.700 -0.007 0.000 1.068 394 T CA 0.931 63.021 62.100 -0.017 0.000 1.131 394 T CB -0.523 68.332 68.868 -0.022 0.000 0.871 394 T HN 0.739 nan 8.240 nan 0.000 0.479 395 K N 1.776 122.173 120.400 -0.005 0.000 2.243 395 K HA 0.065 4.386 4.320 0.001 0.000 0.201 395 K C 2.145 178.758 176.600 0.021 0.000 1.051 395 K CA 1.295 57.583 56.287 0.002 0.000 0.970 395 K CB -0.185 32.312 32.500 -0.005 0.000 0.755 395 K HN 0.749 nan 8.250 nan 0.000 0.465 396 N N 0.591 119.312 118.700 0.035 0.000 2.205 396 N HA 0.052 4.792 4.740 0.001 0.000 0.201 396 N C 1.667 177.236 175.510 0.097 0.000 1.128 396 N CA -0.119 52.981 53.050 0.084 0.000 0.867 396 N CB 0.083 38.632 38.487 0.103 0.000 0.996 396 N HN -0.009 nan 8.380 nan 0.000 0.503 397 L N 1.581 122.831 121.223 0.045 0.000 1.990 397 L HA -0.236 4.104 4.340 0.001 0.000 0.213 397 L C 1.856 178.738 176.870 0.020 0.000 1.072 397 L CA 1.699 56.550 54.840 0.019 0.000 0.755 397 L CB -0.410 41.647 42.059 -0.004 0.000 0.889 397 L HN 0.178 nan 8.230 nan 0.000 0.432 398 D N -1.299 119.123 120.400 0.037 0.000 2.104 398 D HA -0.256 4.385 4.640 0.001 0.000 0.194 398 D C 1.893 178.233 176.300 0.067 0.000 0.994 398 D CA 1.424 55.445 54.000 0.034 0.000 0.830 398 D CB -0.264 40.559 40.800 0.038 0.000 0.959 398 D HN 0.330 nan 8.370 nan 0.000 0.452 399 Y N 1.757 122.052 120.300 -0.008 0.000 2.145 399 Y HA -0.215 4.335 4.550 0.001 0.000 0.286 399 Y C 2.276 178.180 175.900 0.008 0.000 1.145 399 Y CA 1.043 59.147 58.100 0.006 0.000 1.148 399 Y CB -0.454 38.016 38.460 0.015 0.000 0.981 399 Y HN -0.215 nan 8.280 nan 0.000 0.507 400 V N 0.302 120.183 119.914 -0.054 0.000 2.358 400 V HA -0.299 3.822 4.120 0.001 0.000 0.246 400 V C 2.672 178.676 176.094 -0.150 0.000 1.047 400 V CA 1.786 64.004 62.300 -0.137 0.000 1.035 400 V CB -1.595 30.211 31.823 -0.028 0.000 0.658 400 V HN 0.541 nan 8.190 nan 0.000 0.452 401 A N -0.274 122.478 122.820 -0.113 0.000 1.933 401 A HA -0.242 4.078 4.320 0.001 0.000 0.218 401 A C 2.274 179.788 177.584 -0.116 0.000 1.175 401 A CA 2.029 53.984 52.037 -0.138 0.000 0.628 401 A CB -0.414 18.509 19.000 -0.128 0.000 0.814 401 A HN 0.534 nan 8.150 nan 0.000 0.444 402 K N -0.076 120.263 120.400 -0.101 0.000 2.097 402 K HA -0.039 4.282 4.320 0.001 0.000 0.205 402 K C 2.327 178.903 176.600 -0.040 0.000 1.050 402 K CA 1.391 57.643 56.287 -0.058 0.000 0.938 402 K CB -0.116 32.359 32.500 -0.042 0.000 0.718 402 K HN 0.430 nan 8.250 nan 0.000 0.442 403 S N 1.053 116.651 115.700 -0.171 0.000 2.368 403 S HA -0.090 4.380 4.470 0.001 0.000 0.225 403 S C 1.914 176.511 174.600 -0.005 0.000 1.030 403 S CA 1.056 59.175 58.200 -0.134 0.000 0.999 403 S CB -0.220 62.765 63.200 -0.357 0.000 0.844 403 S HN 0.197 nan 8.310 nan 0.000 0.459 404 I N 0.778 121.312 120.570 -0.061 0.000 2.226 404 I HA -0.222 3.949 4.170 0.001 0.000 0.245 404 I C 2.480 178.575 176.117 -0.037 0.000 1.100 404 I CA 1.584 62.850 61.300 -0.057 0.000 1.374 404 I CB -0.420 37.486 38.000 -0.157 0.000 1.057 404 I HN 0.341 nan 8.210 nan 0.000 0.413 405 H N 1.259 120.260 119.070 -0.115 0.000 2.319 405 H HA -0.206 4.350 4.556 0.001 0.000 0.299 405 H C 2.106 177.404 175.328 -0.051 0.000 1.092 405 H CA 2.182 58.183 56.048 -0.079 0.000 1.302 405 H CB 0.054 29.766 29.762 -0.083 0.000 1.373 405 H HN 0.315 nan 8.280 nan 0.000 0.497 406 E N -0.103 120.091 120.200 -0.010 0.000 2.077 406 E HA -0.171 4.179 4.350 0.001 0.000 0.193 406 E C 2.440 178.875 176.600 -0.274 0.000 0.989 406 E CA 0.877 57.223 56.400 -0.090 0.000 0.800 406 E CB -0.202 29.540 29.700 0.070 0.000 0.746 406 E HN 0.617 nan 8.360 nan 0.000 0.452 407 A N 1.196 123.897 122.820 -0.200 0.000 1.883 407 A HA -0.187 4.133 4.320 0.001 0.000 0.217 407 A C 2.571 180.035 177.584 -0.200 0.000 1.186 407 A CA 1.906 53.782 52.037 -0.269 0.000 0.624 407 A CB -1.006 17.990 19.000 -0.007 0.000 0.822 407 A HN 0.261 nan 8.150 nan 0.000 0.444 408 V N -1.680 118.158 119.914 -0.128 0.000 2.548 408 V HA -0.131 3.990 4.120 0.001 0.000 0.249 408 V C 2.355 178.363 176.094 -0.143 0.000 1.055 408 V CA 2.601 64.853 62.300 -0.079 0.000 1.065 408 V CB -1.618 30.233 31.823 0.048 0.000 0.681 408 V HN 0.705 nan 8.190 nan 0.000 0.462 409 T N -1.695 112.711 114.554 -0.246 0.000 2.939 409 T HA 0.036 4.387 4.350 0.001 0.000 0.254 409 T C 1.768 176.358 174.700 -0.183 0.000 1.041 409 T CA 0.947 62.906 62.100 -0.235 0.000 1.142 409 T CB -0.246 68.411 68.868 -0.353 0.000 0.874 409 T HN 0.533 nan 8.240 nan 0.000 0.452 410 K N 0.246 120.510 120.400 -0.228 0.000 2.361 410 K HA 0.373 4.693 4.320 0.001 0.000 0.194 410 K C 1.473 177.938 176.600 -0.226 0.000 1.032 410 K CA 0.210 56.370 56.287 -0.211 0.000 1.048 410 K CB 0.365 32.727 32.500 -0.229 0.000 0.842 410 K HN 0.392 nan 8.250 nan 0.000 0.526 411 I N 0.785 121.202 120.570 -0.255 0.000 3.790 411 I HA -0.061 4.110 4.170 0.001 0.000 0.305 411 I C -0.132 175.911 176.117 -0.122 0.000 1.253 411 I CA 0.186 61.365 61.300 -0.201 0.000 1.355 411 I CB 0.198 38.047 38.000 -0.252 0.000 1.137 411 I HN 0.079 nan 8.210 nan 0.000 0.435 412 Q N 0.000 119.729 119.800 -0.118 0.000 2.315 412 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 412 Q CA 0.000 55.756 55.803 -0.078 0.000 1.022 412 Q CB 0.000 28.697 28.738 -0.068 0.000 1.108 412 Q HN 0.000 nan 8.270 nan 0.000 0.481