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 2p4j_1_C DATA FIRST_RESID 1 DATA SEQUENCE EMVDNLRGKS GQGYYVEMTV GSPPQTLNIL VDTGSSNFAV GAAPHPFLHR DATA SEQUENCE YYQRQLSSTY RDLRKGVYVP YTQGKWEGEL GTDLVSIPHG PNVTVRANIA DATA SEQUENCE AITESDKFFI NGSNWEGILG LAYAEIARPD DSLEPFFDSL VKQTHVPNLF DATA SEQUENCE SLQLCGAGFP LNQSEVLASV GGSMIIGGID HSLYTGSLWY TPIRREWYYE DATA SEQUENCE VIIVRVEING QDLKMDCKEY NYDKSIVDSG TTNLRLPKKV FEAAVKSIKA DATA SEQUENCE ASSTEKFPDG FWLGEQLVCW QAGTTPWNIF PVISLYLMGE VTNQSFRITI DATA SEQUENCE LPQQYLRPVE DVATSQDDCY KFAISQSSTG TVMGAVIMEG FYVVFDRARK DATA SEQUENCE RIGFAVSACH VHDEFRTAAV EGPFVTLDME DCGYN 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.658 176.600 0.097 0.000 1.382 1 E CA 0.000 56.444 56.400 0.074 0.000 0.976 1 E CB 0.000 29.742 29.700 0.069 0.000 0.812 2 M N 1.397 121.044 119.600 0.078 0.000 2.337 2 M HA 0.286 4.765 4.480 -0.000 0.000 0.256 2 M C 0.487 176.816 176.300 0.049 0.000 1.075 2 M CA 0.013 55.363 55.300 0.084 0.000 1.024 2 M CB 1.510 34.164 32.600 0.090 0.000 1.429 2 M HN -0.153 nan 8.290 nan 0.000 0.497 3 V N 2.558 122.488 119.914 0.026 0.000 2.715 3 V HA -0.024 4.096 4.120 -0.000 0.000 0.299 3 V C 0.232 176.307 176.094 -0.031 0.000 1.054 3 V CA 0.599 62.897 62.300 -0.003 0.000 1.077 3 V CB 0.690 32.506 31.823 -0.012 0.000 0.972 3 V HN 0.525 nan 8.190 nan 0.000 0.484 4 D N 2.723 123.096 120.400 -0.045 0.000 2.907 4 D HA -0.160 4.480 4.640 -0.000 0.000 0.226 4 D C 0.878 177.115 176.300 -0.104 0.000 1.141 4 D CA 1.178 55.136 54.000 -0.071 0.000 0.779 4 D CB -1.047 39.710 40.800 -0.071 0.000 1.095 4 D HN 0.895 nan 8.370 nan 0.000 0.430 5 N N 0.054 118.707 118.700 -0.079 0.000 2.336 5 N HA -0.010 4.730 4.740 -0.000 0.000 0.189 5 N C 0.518 175.985 175.510 -0.072 0.000 1.113 5 N CA 0.073 53.071 53.050 -0.087 0.000 0.858 5 N CB 0.289 38.784 38.487 0.013 0.000 0.970 5 N HN 0.338 nan 8.380 nan 0.000 0.471 6 L N 0.166 121.334 121.223 -0.091 0.000 2.352 6 L HA 0.540 4.880 4.340 -0.000 0.000 0.269 6 L C 0.466 177.213 176.870 -0.204 0.000 1.034 6 L CA -0.813 53.951 54.840 -0.126 0.000 0.806 6 L CB 1.420 43.422 42.059 -0.095 0.000 1.244 6 L HN -0.053 nan 8.230 nan 0.000 0.447 7 R N -0.345 119.902 120.500 -0.422 0.000 2.764 7 R HA 0.548 4.888 4.340 -0.000 0.000 0.270 7 R C -0.365 175.547 176.300 -0.647 0.000 1.014 7 R CA -0.294 55.470 56.100 -0.560 0.000 0.904 7 R CB 2.007 31.878 30.300 -0.715 0.000 1.236 7 R HN 0.821 nan 8.270 nan 0.000 0.466 8 G N 1.611 110.209 108.800 -0.337 0.000 2.173 8 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.174 8 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.174 8 G C 0.618 175.370 174.900 -0.247 0.000 1.025 8 G CA 0.349 45.322 45.100 -0.213 0.000 0.706 8 G HN 0.649 nan 8.290 nan 0.000 0.499 9 K N 0.013 120.368 120.400 -0.074 0.000 2.071 9 K HA -0.163 4.157 4.320 -0.000 0.000 0.217 9 K C 1.638 178.194 176.600 -0.073 0.000 1.054 9 K CA 2.020 58.321 56.287 0.023 0.000 0.937 9 K CB -0.159 32.324 32.500 -0.028 0.000 0.719 9 K HN 0.571 nan 8.250 nan 0.000 0.454 10 S N -0.446 115.168 115.700 -0.143 0.000 2.272 10 S HA 0.400 4.870 4.470 -0.000 0.000 0.207 10 S C -0.374 174.139 174.600 -0.145 0.000 1.336 10 S CA -0.342 57.763 58.200 -0.159 0.000 1.259 10 S CB 0.765 63.841 63.200 -0.207 0.000 1.130 10 S HN 0.514 nan 8.310 nan 0.000 0.444 11 G N 0.957 109.645 108.800 -0.187 0.000 3.247 11 G HA2 0.428 4.388 3.960 -0.000 0.000 0.199 11 G HA3 0.428 4.388 3.960 -0.000 0.000 0.199 11 G C -0.990 173.828 174.900 -0.138 0.000 1.172 11 G CA -0.532 44.489 45.100 -0.131 0.000 0.844 11 G HN 0.418 nan 8.290 nan 0.000 0.619 12 Q N 0.394 120.159 119.800 -0.058 0.000 2.788 12 Q HA 0.516 4.856 4.340 -0.000 0.000 0.278 12 Q C 0.087 176.164 176.000 0.128 0.000 1.126 12 Q CA -0.312 55.493 55.803 0.003 0.000 1.017 12 Q CB 0.391 29.142 28.738 0.021 0.000 1.219 12 Q HN 1.832 nan 8.270 nan 0.000 0.503 13 G N 1.159 109.899 108.800 -0.100 0.000 2.697 13 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.684 13 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.684 13 G C -1.707 173.056 174.900 -0.227 0.000 1.274 13 G CA -1.138 43.882 45.100 -0.134 0.000 0.806 13 G HN 0.307 nan 8.290 nan 0.000 0.644 14 Y N 1.048 121.308 120.300 -0.067 0.000 2.328 14 Y HA 0.636 5.186 4.550 -0.000 0.000 0.337 14 Y C 0.763 176.597 175.900 -0.110 0.000 1.008 14 Y CA -0.366 57.657 58.100 -0.127 0.000 1.129 14 Y CB 1.407 39.791 38.460 -0.127 0.000 1.185 14 Y HN 0.750 nan 8.280 nan 0.000 0.476 15 Y N 0.489 120.823 120.300 0.057 0.000 2.570 15 Y HA 0.831 5.381 4.550 -0.000 0.000 0.345 15 Y C -1.589 174.324 175.900 0.021 0.000 1.014 15 Y CA -1.795 56.304 58.100 -0.001 0.000 1.063 15 Y CB 0.957 39.443 38.460 0.043 0.000 1.272 15 Y HN 0.347 nan 8.280 nan 0.000 0.477 16 V N 1.702 121.732 119.914 0.194 0.000 2.680 16 V HA 0.364 4.484 4.120 -0.000 0.000 0.309 16 V C -0.703 175.497 176.094 0.175 0.000 1.052 16 V CA -0.844 61.528 62.300 0.120 0.000 0.908 16 V CB 1.718 33.554 31.823 0.021 0.000 1.001 16 V HN 0.981 nan 8.190 nan 0.000 0.431 17 E N 5.701 126.008 120.200 0.178 0.000 2.338 17 E HA 0.504 4.854 4.350 -0.000 0.000 0.272 17 E C -0.819 175.826 176.600 0.076 0.000 1.029 17 E CA -0.217 56.276 56.400 0.155 0.000 0.872 17 E CB 0.917 30.731 29.700 0.190 0.000 1.015 17 E HN 0.686 nan 8.360 nan 0.000 0.417 18 M N 1.861 121.487 119.600 0.045 0.000 2.664 18 M HA 0.350 4.829 4.480 -0.000 0.000 0.279 18 M C -0.939 175.369 176.300 0.013 0.000 1.275 18 M CA -0.960 54.339 55.300 -0.001 0.000 0.829 18 M CB 2.567 35.139 32.600 -0.048 0.000 1.727 18 M HN 0.601 nan 8.290 nan 0.000 0.459 19 T N -0.356 114.201 114.554 0.006 0.000 2.886 19 T HA 0.803 5.153 4.350 -0.000 0.000 0.292 19 T C -0.781 173.934 174.700 0.024 0.000 1.012 19 T CA -0.789 61.319 62.100 0.015 0.000 0.982 19 T CB 1.462 70.338 68.868 0.013 0.000 1.018 19 T HN 0.696 nan 8.240 nan 0.000 0.451 20 V N -0.687 119.231 119.914 0.008 0.000 2.823 20 V HA 1.023 5.142 4.120 -0.000 0.000 0.312 20 V C 0.588 176.722 176.094 0.068 0.000 1.072 20 V CA 0.049 62.346 62.300 -0.005 0.000 0.937 20 V CB 0.689 32.371 31.823 -0.235 0.000 1.013 20 V HN 2.049 nan 8.190 nan 0.000 0.430 21 G N 2.404 111.282 108.800 0.130 0.000 2.796 21 G HA2 0.111 4.071 3.960 -0.000 0.000 0.571 21 G HA3 0.111 4.071 3.960 -0.000 0.000 0.571 21 G C -0.358 174.612 174.900 0.115 0.000 1.370 21 G CA -0.228 44.981 45.100 0.182 0.000 0.856 21 G HN 1.764 nan 8.290 nan 0.000 0.538 22 S N 2.363 118.128 115.700 0.107 0.000 2.733 22 S HA 0.688 5.158 4.470 -0.000 0.000 0.294 22 S C -2.191 172.441 174.600 0.054 0.000 1.149 22 S CA -0.474 57.767 58.200 0.070 0.000 1.034 22 S CB 2.766 66.004 63.200 0.064 0.000 1.015 22 S HN 0.779 nan 8.310 nan 0.000 0.486 23 P HA 0.284 nan 4.420 nan 0.000 0.272 23 P C -2.907 174.417 177.300 0.039 0.000 1.240 23 P CA -1.599 61.520 63.100 0.031 0.000 0.791 23 P CB -0.879 30.832 31.700 0.018 0.000 0.978 24 P HA 0.108 nan 4.420 nan 0.000 0.264 24 P C -0.552 176.765 177.300 0.029 0.000 1.193 24 P CA 0.619 63.740 63.100 0.034 0.000 0.763 24 P CB 0.088 31.800 31.700 0.021 0.000 0.810 25 Q N 1.648 121.471 119.800 0.038 0.000 2.394 25 Q HA 0.246 4.586 4.340 -0.000 0.000 0.259 25 Q C -0.316 175.693 176.000 0.015 0.000 1.021 25 Q CA -0.388 55.432 55.803 0.028 0.000 0.805 25 Q CB 0.795 29.572 28.738 0.065 0.000 1.226 25 Q HN 0.373 nan 8.270 nan 0.000 0.476 26 T N 3.754 118.314 114.554 0.010 0.000 2.888 26 T HA 0.307 4.657 4.350 -0.000 0.000 0.301 26 T C -0.170 174.536 174.700 0.010 0.000 1.001 26 T CA 0.276 62.385 62.100 0.014 0.000 1.147 26 T CB 0.149 69.029 68.868 0.020 0.000 0.931 26 T HN 0.354 nan 8.240 nan 0.000 0.541 27 L N 3.426 124.660 121.223 0.018 0.000 2.472 27 L HA 0.415 4.755 4.340 -0.000 0.000 0.260 27 L C -0.196 176.695 176.870 0.036 0.000 0.963 27 L CA -0.968 53.881 54.840 0.015 0.000 0.829 27 L CB 2.209 44.274 42.059 0.010 0.000 1.348 27 L HN 0.553 nan 8.230 nan 0.000 0.408 28 N N 2.915 121.617 118.700 0.004 0.000 2.419 28 N HA 0.515 5.255 4.740 -0.000 0.000 0.264 28 N C -1.127 174.434 175.510 0.086 0.000 1.031 28 N CA -0.558 52.497 53.050 0.008 0.000 0.951 28 N CB 1.231 39.526 38.487 -0.321 0.000 1.101 28 N HN 0.243 nan 8.380 nan 0.000 0.488 29 I N 2.979 123.635 120.570 0.143 0.000 2.406 29 I HA 0.212 4.381 4.170 -0.000 0.000 0.290 29 I C -0.072 176.074 176.117 0.048 0.000 0.999 29 I CA -0.895 60.478 61.300 0.123 0.000 1.124 29 I CB 1.264 39.332 38.000 0.113 0.000 1.289 29 I HN 0.428 nan 8.210 nan 0.000 0.441 30 L N 7.702 128.832 121.223 -0.155 0.000 2.499 30 L HA 0.143 4.483 4.340 -0.000 0.000 0.273 30 L C -0.162 176.549 176.870 -0.264 0.000 1.195 30 L CA 0.378 54.949 54.840 -0.449 0.000 0.882 30 L CB 0.664 41.972 42.059 -1.252 0.000 1.133 30 L HN 0.338 nan 8.230 nan 0.000 0.483 31 V N 5.211 125.012 119.914 -0.187 0.000 2.427 31 V HA 0.207 4.327 4.120 -0.000 0.000 0.268 31 V C -0.294 175.699 176.094 -0.168 0.000 1.046 31 V CA -0.182 62.018 62.300 -0.167 0.000 0.970 31 V CB 0.844 32.589 31.823 -0.129 0.000 1.001 31 V HN 0.820 nan 8.190 nan 0.000 0.476 32 D N 2.899 123.206 120.400 -0.155 0.000 2.421 32 D HA 0.268 4.908 4.640 -0.000 0.000 0.254 32 D C 1.038 177.307 176.300 -0.052 0.000 1.238 32 D CA -0.177 53.765 54.000 -0.096 0.000 0.919 32 D CB 1.602 42.355 40.800 -0.079 0.000 1.152 32 D HN 0.586 nan 8.370 nan 0.000 0.552 33 T N -0.204 114.325 114.554 -0.042 0.000 3.148 33 T HA 0.131 4.481 4.350 -0.000 0.000 0.253 33 T C 1.637 176.454 174.700 0.195 0.000 1.134 33 T CA 0.320 62.446 62.100 0.043 0.000 1.051 33 T CB 0.272 69.066 68.868 -0.123 0.000 0.959 33 T HN 0.299 nan 8.240 nan 0.000 0.525 34 G N 0.999 109.890 108.800 0.153 0.000 3.042 34 G HA2 0.367 4.327 3.960 -0.000 0.000 0.212 34 G HA3 0.367 4.327 3.960 -0.000 0.000 0.212 34 G C 0.482 175.496 174.900 0.191 0.000 1.166 34 G CA 0.215 45.452 45.100 0.227 0.000 0.767 34 G HN 0.763 nan 8.290 nan 0.000 0.546 35 S N -1.848 113.921 115.700 0.116 0.000 2.697 35 S HA 0.641 5.111 4.470 -0.000 0.000 0.289 35 S C 0.046 174.661 174.600 0.026 0.000 1.149 35 S CA -0.234 58.011 58.200 0.074 0.000 0.850 35 S CB 1.920 65.291 63.200 0.285 0.000 1.151 35 S HN -0.072 nan 8.310 nan 0.000 0.491 36 S N 0.146 115.857 115.700 0.019 0.000 2.780 36 S HA 0.363 4.833 4.470 -0.000 0.000 0.248 36 S C -0.452 174.225 174.600 0.127 0.000 1.036 36 S CA -0.464 57.758 58.200 0.038 0.000 1.061 36 S CB -0.392 62.799 63.200 -0.015 0.000 1.037 36 S HN 0.682 nan 8.310 nan 0.000 0.584 37 N N 1.351 120.166 118.700 0.193 0.000 2.443 37 N HA 0.493 5.233 4.740 -0.000 0.000 0.295 37 N C -1.271 174.459 175.510 0.366 0.000 1.076 37 N CA -0.424 52.795 53.050 0.280 0.000 0.919 37 N CB 0.966 39.654 38.487 0.334 0.000 1.176 37 N HN 0.294 nan 8.380 nan 0.000 0.487 38 F N 1.677 121.723 119.950 0.159 0.000 2.388 38 F HA 0.719 5.246 4.527 -0.000 0.000 0.358 38 F C -0.565 175.264 175.800 0.049 0.000 1.122 38 F CA -0.613 57.438 58.000 0.086 0.000 1.056 38 F CB 0.442 39.493 39.000 0.086 0.000 1.155 38 F HN 0.483 nan 8.300 nan 0.000 0.461 39 A N 5.484 128.116 122.820 -0.312 0.000 2.539 39 A HA 0.805 5.125 4.320 -0.000 0.000 0.296 39 A C -1.523 175.759 177.584 -0.503 0.000 1.073 39 A CA -0.524 51.187 52.037 -0.543 0.000 0.700 39 A CB 1.762 20.292 19.000 -0.784 0.000 1.296 39 A HN 1.032 nan 8.150 nan 0.000 0.405 40 V N -1.214 118.430 119.914 -0.449 0.000 3.078 40 V HA 0.931 5.051 4.120 -0.000 0.000 0.311 40 V C 0.413 176.475 176.094 -0.053 0.000 1.138 40 V CA -0.367 61.814 62.300 -0.199 0.000 1.007 40 V CB 1.234 32.889 31.823 -0.280 0.000 1.045 40 V HN 1.764 nan 8.190 nan 0.000 0.432 41 G N 0.593 109.450 108.800 0.095 0.000 2.380 41 G HA2 0.524 4.484 3.960 -0.000 0.000 0.242 41 G HA3 0.524 4.484 3.960 -0.000 0.000 0.242 41 G C 0.530 175.516 174.900 0.144 0.000 1.298 41 G CA 0.161 45.321 45.100 0.099 0.000 0.878 41 G HN 1.845 nan 8.290 nan 0.000 0.542 42 A N 1.282 124.169 122.820 0.112 0.000 2.545 42 A HA 0.783 5.103 4.320 -0.000 0.000 0.263 42 A C 0.809 178.461 177.584 0.114 0.000 1.202 42 A CA 0.816 52.949 52.037 0.161 0.000 0.959 42 A CB 0.161 19.198 19.000 0.063 0.000 1.124 42 A HN 1.841 nan 8.150 nan 0.000 0.543 43 A N 0.345 123.067 122.820 -0.164 0.000 2.612 43 A HA 0.728 5.048 4.320 -0.000 0.000 0.293 43 A C -3.221 173.816 177.584 -0.911 0.000 1.075 43 A CA -1.427 50.289 52.037 -0.535 0.000 0.680 43 A CB 0.747 19.620 19.000 -0.212 0.000 1.279 43 A HN 0.016 nan 8.150 nan 0.000 0.411 44 P HA 0.154 nan 4.420 nan 0.000 0.266 44 P C -0.921 176.211 177.300 -0.281 0.000 1.193 44 P CA 0.699 63.405 63.100 -0.656 0.000 0.770 44 P CB 0.306 31.767 31.700 -0.398 0.000 0.836 45 H N 2.435 121.320 119.070 -0.309 0.000 3.038 45 H HA 0.214 4.770 4.556 -0.000 0.000 0.362 45 H C -2.125 173.082 175.328 -0.202 0.000 1.167 45 H CA -1.600 54.305 56.048 -0.238 0.000 1.197 45 H CB 2.043 31.655 29.762 -0.250 0.000 1.840 45 H HN 0.056 nan 8.280 nan 0.000 0.540 46 P HA -0.107 nan 4.420 nan 0.000 0.216 46 P C 1.161 178.543 177.300 0.137 0.000 1.154 46 P CA 1.521 64.466 63.100 -0.258 0.000 0.865 46 P CB -0.021 31.363 31.700 -0.526 0.000 0.789 47 F N -1.967 118.118 119.950 0.224 0.000 2.780 47 F HA 0.099 4.626 4.527 -0.000 0.000 0.299 47 F C 0.925 176.711 175.800 -0.025 0.000 1.146 47 F CA -0.519 57.555 58.000 0.125 0.000 1.428 47 F CB -0.004 39.086 39.000 0.149 0.000 1.115 47 F HN -0.177 nan 8.300 nan 0.000 0.583 48 L N 0.029 121.313 121.223 0.101 0.000 2.282 48 L HA 0.229 4.569 4.340 -0.000 0.000 0.288 48 L C 0.808 177.739 176.870 0.101 0.000 1.033 48 L CA -0.603 54.204 54.840 -0.056 0.000 0.807 48 L CB 1.042 42.937 42.059 -0.274 0.000 1.209 48 L HN -0.031 nan 8.230 nan 0.000 0.423 49 H N 2.366 121.397 119.070 -0.065 0.000 2.436 49 H HA 0.072 4.628 4.556 -0.000 0.000 0.294 49 H C 0.181 175.516 175.328 0.013 0.000 1.048 49 H CA 0.704 56.737 56.048 -0.025 0.000 1.353 49 H CB 0.227 29.961 29.762 -0.045 0.000 1.414 49 H HN 0.497 nan 8.280 nan 0.000 0.536 50 R N -1.201 119.384 120.500 0.143 0.000 2.734 50 R HA 0.433 4.773 4.340 -0.000 0.000 0.271 50 R C -1.627 174.772 176.300 0.165 0.000 1.021 50 R CA -1.107 55.061 56.100 0.114 0.000 0.893 50 R CB 1.780 32.094 30.300 0.023 0.000 1.244 50 R HN 0.132 nan 8.270 nan 0.000 0.464 51 Y N -2.133 118.145 120.300 -0.036 0.000 2.670 51 Y HA 0.478 5.028 4.550 -0.000 0.000 0.334 51 Y C -1.630 174.297 175.900 0.044 0.000 1.185 51 Y CA -1.721 56.362 58.100 -0.027 0.000 1.053 51 Y CB 0.872 39.294 38.460 -0.063 0.000 1.298 51 Y HN 0.590 nan 8.280 nan 0.000 0.459 52 Y N 2.939 123.221 120.300 -0.029 0.000 2.496 52 Y HA 0.294 4.844 4.550 -0.000 0.000 0.334 52 Y C -0.487 175.332 175.900 -0.135 0.000 1.080 52 Y CA -0.630 57.403 58.100 -0.111 0.000 1.355 52 Y CB 0.781 39.189 38.460 -0.086 0.000 1.193 52 Y HN 0.670 nan 8.280 nan 0.000 0.523 53 Q N 7.461 127.051 119.800 -0.351 0.000 2.560 53 Q HA 0.257 4.597 4.340 -0.000 0.000 0.238 53 Q C 0.980 176.622 176.000 -0.597 0.000 1.079 53 Q CA -0.440 55.095 55.803 -0.447 0.000 0.866 53 Q CB 0.901 29.445 28.738 -0.322 0.000 1.153 53 Q HN 0.824 nan 8.270 nan 0.000 0.530 54 R N 0.905 120.816 120.500 -0.982 0.000 2.113 54 R HA -0.258 4.082 4.340 -0.000 0.000 0.244 54 R C 1.599 177.633 176.300 -0.443 0.000 1.142 54 R CA 1.844 57.346 56.100 -0.996 0.000 0.953 54 R CB -0.033 29.393 30.300 -1.456 0.000 0.860 54 R HN 0.572 nan 8.270 nan 0.000 0.438 55 Q N 0.379 119.991 119.800 -0.312 0.000 2.268 55 Q HA -0.155 4.185 4.340 -0.000 0.000 0.210 55 Q C 1.688 177.635 176.000 -0.088 0.000 0.988 55 Q CA 1.120 56.841 55.803 -0.136 0.000 0.883 55 Q CB -0.117 28.557 28.738 -0.107 0.000 0.911 55 Q HN 0.420 nan 8.270 nan 0.000 0.430 56 L N -0.510 120.643 121.223 -0.117 0.000 2.592 56 L HA 0.144 4.483 4.340 -0.000 0.000 0.227 56 L C 0.623 177.483 176.870 -0.018 0.000 1.127 56 L CA -0.317 54.485 54.840 -0.063 0.000 0.884 56 L CB 0.530 42.542 42.059 -0.079 0.000 1.065 56 L HN -0.107 nan 8.230 nan 0.000 0.457 57 S N -0.521 115.177 115.700 -0.004 0.000 2.422 57 S HA 0.176 4.646 4.470 -0.000 0.000 0.308 57 S C 1.237 175.907 174.600 0.117 0.000 1.097 57 S CA -0.453 57.798 58.200 0.085 0.000 1.099 57 S CB 1.131 64.429 63.200 0.164 0.000 0.976 57 S HN 0.324 nan 8.310 nan 0.000 0.471 58 S N 3.038 118.793 115.700 0.091 0.000 2.453 58 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 58 S C 1.454 176.110 174.600 0.093 0.000 1.005 58 S CA 1.130 59.377 58.200 0.080 0.000 0.949 58 S CB -0.700 62.531 63.200 0.052 0.000 0.774 58 S HN 0.814 nan 8.310 nan 0.000 0.510 59 T N -1.899 112.724 114.554 0.114 0.000 3.107 59 T HA 0.212 4.562 4.350 -0.000 0.000 0.249 59 T C 0.272 175.052 174.700 0.133 0.000 1.096 59 T CA -0.554 61.606 62.100 0.101 0.000 1.012 59 T CB -0.716 68.206 68.868 0.089 0.000 0.977 59 T HN 0.435 nan 8.240 nan 0.000 0.527 60 Y N 3.121 123.464 120.300 0.072 0.000 2.597 60 Y HA 0.370 4.920 4.550 -0.000 0.000 0.336 60 Y C 0.164 176.102 175.900 0.063 0.000 1.216 60 Y CA -1.063 57.092 58.100 0.090 0.000 1.463 60 Y CB 0.410 38.914 38.460 0.075 0.000 1.303 60 Y HN 0.038 nan 8.280 nan 0.000 0.576 61 R N 4.590 124.583 120.500 -0.845 0.000 2.502 61 R HA 0.159 4.498 4.340 -0.000 0.000 0.300 61 R C -1.566 174.218 176.300 -0.861 0.000 0.984 61 R CA -0.945 54.753 56.100 -0.669 0.000 0.882 61 R CB 1.184 31.328 30.300 -0.260 0.000 1.180 61 R HN 0.638 nan 8.270 nan 0.000 0.444 62 D N 4.192 124.215 120.400 -0.628 0.000 2.393 62 D HA 0.079 4.719 4.640 -0.000 0.000 0.232 62 D C 0.799 177.047 176.300 -0.086 0.000 1.192 62 D CA -0.079 53.767 54.000 -0.258 0.000 0.882 62 D CB 1.040 41.813 40.800 -0.044 0.000 1.038 62 D HN 0.501 nan 8.370 nan 0.000 0.499 63 L N 3.320 124.527 121.223 -0.027 0.000 2.622 63 L HA 0.077 4.417 4.340 -0.000 0.000 0.233 63 L C 0.862 177.748 176.870 0.027 0.000 1.156 63 L CA 0.058 54.900 54.840 0.004 0.000 0.866 63 L CB -0.252 41.824 42.059 0.028 0.000 0.980 63 L HN 0.357 nan 8.230 nan 0.000 0.448 64 R N 1.033 121.558 120.500 0.042 0.000 3.092 64 R HA -0.211 4.129 4.340 -0.000 0.000 0.245 64 R C -0.121 176.209 176.300 0.050 0.000 0.881 64 R CA 0.656 56.785 56.100 0.049 0.000 0.614 64 R CB -1.408 28.911 30.300 0.032 0.000 1.128 64 R HN 0.281 nan 8.270 nan 0.000 0.483 65 K N -0.090 120.349 120.400 0.066 0.000 2.557 65 K HA 0.439 4.759 4.320 -0.000 0.000 0.257 65 K C -0.298 176.352 176.600 0.084 0.000 0.933 65 K CA -0.195 56.131 56.287 0.065 0.000 0.820 65 K CB 1.776 34.312 32.500 0.059 0.000 1.330 65 K HN 0.192 nan 8.250 nan 0.000 0.432 66 G N 1.345 110.192 108.800 0.079 0.000 2.476 66 G HA2 0.557 4.517 3.960 -0.000 0.000 0.286 66 G HA3 0.557 4.517 3.960 -0.000 0.000 0.286 66 G C -1.277 173.691 174.900 0.113 0.000 1.177 66 G CA -0.494 44.664 45.100 0.098 0.000 0.870 66 G HN 0.403 nan 8.290 nan 0.000 0.528 67 V N 1.339 121.347 119.914 0.156 0.000 2.932 67 V HA 0.717 4.837 4.120 -0.000 0.000 0.307 67 V C -2.073 174.123 176.094 0.170 0.000 1.147 67 V CA -0.971 61.422 62.300 0.154 0.000 0.951 67 V CB 2.009 33.945 31.823 0.189 0.000 1.031 67 V HN 0.846 nan 8.190 nan 0.000 0.426 68 Y N 5.444 125.664 120.300 -0.132 0.000 2.346 68 Y HA 0.780 5.330 4.550 -0.000 0.000 0.332 68 Y C -1.345 174.227 175.900 -0.546 0.000 0.985 68 Y CA -0.927 56.994 58.100 -0.298 0.000 1.112 68 Y CB 2.129 40.481 38.460 -0.181 0.000 1.170 68 Y HN 0.447 nan 8.280 nan 0.000 0.447 69 V N 9.233 128.177 119.914 -1.618 0.000 2.349 69 V HA 0.462 4.582 4.120 -0.000 0.000 0.284 69 V C -2.529 172.536 176.094 -1.715 0.000 1.014 69 V CA -1.601 59.704 62.300 -1.659 0.000 0.826 69 V CB 1.593 32.413 31.823 -1.671 0.000 1.009 69 V HN 0.673 nan 8.190 nan 0.000 0.431 70 P HA 0.485 nan 4.420 nan 0.000 0.301 70 P C -1.526 175.394 177.300 -0.633 0.000 1.338 70 P CA -0.382 62.225 63.100 -0.821 0.000 0.834 70 P CB 1.273 32.653 31.700 -0.533 0.000 0.967 71 Y N 0.022 120.239 120.300 -0.137 0.000 2.596 71 Y HA 0.274 4.824 4.550 -0.000 0.000 0.326 71 Y C 2.344 178.245 175.900 0.002 0.000 1.167 71 Y CA -0.370 57.713 58.100 -0.028 0.000 1.246 71 Y CB 0.252 38.749 38.460 0.062 0.000 1.347 71 Y HN 0.195 nan 8.280 nan 0.000 0.515 72 T N -0.423 114.248 114.554 0.194 0.000 2.759 72 T HA -0.214 4.136 4.350 -0.000 0.000 0.269 72 T C 0.460 175.224 174.700 0.107 0.000 1.042 72 T CA 1.458 63.619 62.100 0.102 0.000 1.140 72 T CB -0.129 68.780 68.868 0.069 0.000 0.864 72 T HN 0.487 nan 8.240 nan 0.000 0.455 73 Q N 0.119 120.006 119.800 0.146 0.000 2.695 73 Q HA 0.478 4.818 4.340 -0.000 0.000 0.246 73 Q C -0.559 175.546 176.000 0.176 0.000 0.961 73 Q CA -0.360 55.516 55.803 0.122 0.000 0.708 73 Q CB 0.563 29.344 28.738 0.071 0.000 1.282 73 Q HN 0.431 nan 8.270 nan 0.000 0.482 74 G N 2.522 111.455 108.800 0.222 0.000 2.459 74 G HA2 0.026 3.985 3.960 -0.000 0.000 0.685 74 G HA3 0.026 3.985 3.960 -0.000 0.000 0.685 74 G C -1.767 173.365 174.900 0.387 0.000 1.303 74 G CA -0.405 44.885 45.100 0.317 0.000 0.907 74 G HN 0.666 nan 8.290 nan 0.000 0.632 75 K N -1.021 119.592 120.400 0.355 0.000 2.610 75 K HA 0.721 5.041 4.320 -0.000 0.000 0.278 75 K C -0.849 175.806 176.600 0.092 0.000 0.964 75 K CA -1.019 55.334 56.287 0.110 0.000 0.859 75 K CB 1.586 34.154 32.500 0.114 0.000 1.434 75 K HN 1.713 nan 8.250 nan 0.000 0.410 76 W N 0.436 121.693 121.300 -0.071 0.000 3.074 76 W HA 0.564 5.224 4.660 -0.000 0.000 0.332 76 W C -1.557 174.981 176.519 0.032 0.000 1.253 76 W CA -0.685 56.585 57.345 -0.126 0.000 1.180 76 W CB 1.041 30.197 29.460 -0.506 0.000 1.445 76 W HN 0.623 nan 8.180 nan 0.000 0.573 77 E N 0.436 120.952 120.200 0.527 0.000 2.288 77 E HA 0.683 5.033 4.350 -0.000 0.000 0.268 77 E C -0.286 176.577 176.600 0.437 0.000 0.885 77 E CA -0.693 55.974 56.400 0.444 0.000 0.767 77 E CB 2.785 32.629 29.700 0.240 0.000 1.220 77 E HN 0.703 nan 8.360 nan 0.000 0.427 78 G N 1.222 110.252 108.800 0.384 0.000 2.619 78 G HA2 0.399 4.359 3.960 -0.000 0.000 0.305 78 G HA3 0.399 4.359 3.960 -0.000 0.000 0.305 78 G C -1.459 173.552 174.900 0.186 0.000 1.330 78 G CA -0.686 44.553 45.100 0.233 0.000 0.789 78 G HN 0.388 nan 8.290 nan 0.000 0.487 79 E N 0.092 120.375 120.200 0.137 0.000 2.165 79 E HA 0.453 4.803 4.350 -0.000 0.000 0.266 79 E C -0.451 176.242 176.600 0.156 0.000 0.889 79 E CA -0.503 55.978 56.400 0.136 0.000 0.756 79 E CB 2.471 32.240 29.700 0.115 0.000 1.131 79 E HN 0.302 nan 8.360 nan 0.000 0.411 80 L N 2.330 123.644 121.223 0.152 0.000 2.439 80 L HA 0.564 4.904 4.340 -0.000 0.000 0.269 80 L C 0.821 177.791 176.870 0.167 0.000 1.179 80 L CA 0.199 55.130 54.840 0.152 0.000 0.828 80 L CB 0.608 42.742 42.059 0.125 0.000 1.106 80 L HN 0.719 nan 8.230 nan 0.000 0.467 81 G N 0.469 109.377 108.800 0.180 0.000 2.561 81 G HA2 0.606 4.566 3.960 -0.000 0.000 0.310 81 G HA3 0.606 4.566 3.960 -0.000 0.000 0.310 81 G C -1.289 173.697 174.900 0.143 0.000 1.292 81 G CA 0.098 45.290 45.100 0.154 0.000 0.811 81 G HN 0.627 nan 8.290 nan 0.000 0.482 82 T N -2.124 112.486 114.554 0.093 0.000 2.894 82 T HA 0.746 5.096 4.350 -0.000 0.000 0.309 82 T C -1.711 173.087 174.700 0.163 0.000 1.208 82 T CA -0.571 61.602 62.100 0.122 0.000 1.016 82 T CB 3.008 71.911 68.868 0.057 0.000 1.192 82 T HN 0.676 nan 8.240 nan 0.000 0.491 83 D N 0.014 120.528 120.400 0.190 0.000 2.692 83 D HA 0.377 5.017 4.640 -0.000 0.000 0.303 83 D C -1.039 175.355 176.300 0.157 0.000 1.278 83 D CA -0.631 53.491 54.000 0.203 0.000 0.852 83 D CB 1.858 42.835 40.800 0.295 0.000 1.375 83 D HN 0.685 nan 8.370 nan 0.000 0.453 84 L N 1.288 122.592 121.223 0.135 0.000 2.290 84 L HA 0.481 4.821 4.340 -0.000 0.000 0.284 84 L C -0.165 176.775 176.870 0.117 0.000 1.078 84 L CA -0.716 54.188 54.840 0.106 0.000 0.815 84 L CB 1.318 43.423 42.059 0.077 0.000 1.162 84 L HN 0.056 nan 8.230 nan 0.000 0.435 85 V N 2.336 122.331 119.914 0.136 0.000 2.581 85 V HA 0.553 4.673 4.120 -0.000 0.000 0.303 85 V C -0.061 176.091 176.094 0.096 0.000 1.041 85 V CA -0.367 62.018 62.300 0.140 0.000 0.907 85 V CB 2.016 33.987 31.823 0.248 0.000 0.994 85 V HN 0.832 nan 8.190 nan 0.000 0.442 86 S N 3.972 119.699 115.700 0.044 0.000 2.546 86 S HA 0.686 5.156 4.470 -0.000 0.000 0.274 86 S C -0.785 173.808 174.600 -0.011 0.000 1.121 86 S CA -0.481 57.733 58.200 0.023 0.000 0.887 86 S CB 1.766 64.973 63.200 0.012 0.000 1.094 86 S HN 0.547 nan 8.310 nan 0.000 0.474 87 I N 3.301 123.866 120.570 -0.009 0.000 2.428 87 I HA 0.275 4.445 4.170 -0.000 0.000 0.279 87 I C -1.989 174.108 176.117 -0.034 0.000 1.040 87 I CA -2.303 58.985 61.300 -0.020 0.000 1.171 87 I CB 1.671 39.666 38.000 -0.009 0.000 1.312 87 I HN 0.389 nan 8.210 nan 0.000 0.470 88 P HA -0.197 nan 4.420 nan 0.000 0.218 88 P C 0.606 177.672 177.300 -0.390 0.000 1.152 88 P CA 1.617 64.579 63.100 -0.230 0.000 0.857 88 P CB 0.028 31.574 31.700 -0.257 0.000 0.787 89 H N -1.683 117.399 119.070 0.021 0.000 2.502 89 H HA 0.502 5.058 4.556 -0.000 0.000 0.268 89 H C 0.926 176.270 175.328 0.026 0.000 1.177 89 H CA 0.007 56.069 56.048 0.023 0.000 0.961 89 H CB 0.225 30.000 29.762 0.021 0.000 1.737 89 H HN 0.099 nan 8.280 nan 0.000 0.569 90 G N 0.921 109.766 108.800 0.074 0.000 3.222 90 G HA2 0.340 4.300 3.960 -0.000 0.000 0.263 90 G HA3 0.340 4.300 3.960 -0.000 0.000 0.263 90 G C -2.563 172.370 174.900 0.055 0.000 1.312 90 G CA -1.332 43.812 45.100 0.075 0.000 0.934 90 G HN -0.085 nan 8.290 nan 0.000 0.577 91 P HA 0.044 nan 4.420 nan 0.000 0.270 91 P C -0.669 176.644 177.300 0.022 0.000 1.223 91 P CA -0.301 62.825 63.100 0.043 0.000 0.785 91 P CB 0.736 32.460 31.700 0.040 0.000 0.923 92 N N 1.524 120.235 118.700 0.018 0.000 3.124 92 N HA 0.189 4.929 4.740 -0.000 0.000 0.284 92 N C -0.360 175.151 175.510 0.002 0.000 1.209 92 N CA -0.046 53.008 53.050 0.007 0.000 1.149 92 N CB -0.626 37.867 38.487 0.009 0.000 1.434 92 N HN 0.235 nan 8.380 nan 0.000 0.529 93 V N -1.153 118.759 119.914 -0.003 0.000 3.165 93 V HA 0.718 4.838 4.120 -0.000 0.000 0.309 93 V C -0.244 175.846 176.094 -0.006 0.000 1.267 93 V CA -0.691 61.600 62.300 -0.014 0.000 1.067 93 V CB 1.892 33.693 31.823 -0.037 0.000 1.082 93 V HN 0.110 nan 8.190 nan 0.000 0.451 94 T N 1.206 115.751 114.554 -0.014 0.000 2.971 94 T HA 0.721 5.071 4.350 -0.000 0.000 0.304 94 T C -0.830 173.859 174.700 -0.018 0.000 1.038 94 T CA -0.133 61.968 62.100 0.003 0.000 1.007 94 T CB 1.399 70.271 68.868 0.008 0.000 1.055 94 T HN 1.718 nan 8.240 nan 0.000 0.451 95 V N 1.581 121.494 119.914 -0.002 0.000 2.914 95 V HA 0.773 4.893 4.120 -0.000 0.000 0.314 95 V C -0.476 175.622 176.094 0.008 0.000 1.084 95 V CA -1.470 60.802 62.300 -0.048 0.000 0.963 95 V CB 2.011 33.735 31.823 -0.165 0.000 1.025 95 V HN 0.839 nan 8.190 nan 0.000 0.432 96 R N 2.467 122.960 120.500 -0.011 0.000 2.198 96 R HA 0.792 5.132 4.340 -0.000 0.000 0.339 96 R C -0.243 176.079 176.300 0.036 0.000 1.020 96 R CA 0.369 56.489 56.100 0.033 0.000 0.864 96 R CB 0.738 31.048 30.300 0.017 0.000 1.105 96 R HN 1.252 nan 8.270 nan 0.000 0.463 97 A N 3.954 126.848 122.820 0.123 0.000 2.430 97 A HA 0.470 4.790 4.320 -0.000 0.000 0.300 97 A C -0.988 176.738 177.584 0.236 0.000 1.124 97 A CA -1.083 51.057 52.037 0.171 0.000 0.766 97 A CB 1.207 20.394 19.000 0.311 0.000 1.328 97 A HN 0.764 nan 8.150 nan 0.000 0.424 98 N N 0.366 119.210 118.700 0.241 0.000 2.518 98 N HA 0.402 5.142 4.740 -0.000 0.000 0.266 98 N C -0.941 174.739 175.510 0.284 0.000 1.196 98 N CA 0.529 53.714 53.050 0.224 0.000 0.947 98 N CB 0.730 39.329 38.487 0.187 0.000 1.098 98 N HN 0.499 nan 8.380 nan 0.000 0.450 99 I N 0.913 121.578 120.570 0.158 0.000 2.478 99 I HA 0.295 4.464 4.170 -0.000 0.000 0.287 99 I C -0.321 175.791 176.117 -0.009 0.000 1.042 99 I CA -0.995 60.276 61.300 -0.048 0.000 1.067 99 I CB 1.868 39.794 38.000 -0.123 0.000 1.233 99 I HN 0.367 nan 8.210 nan 0.000 0.431 100 A N 5.173 127.932 122.820 -0.102 0.000 2.269 100 A HA 0.744 5.064 4.320 -0.000 0.000 0.302 100 A C 0.281 177.764 177.584 -0.169 0.000 1.266 100 A CA -0.387 51.625 52.037 -0.042 0.000 0.894 100 A CB 0.475 19.488 19.000 0.022 0.000 1.147 100 A HN 0.804 nan 8.150 nan 0.000 0.537 101 A N 4.161 126.973 122.820 -0.013 0.000 2.343 101 A HA 0.544 4.864 4.320 -0.000 0.000 0.305 101 A C 0.142 177.691 177.584 -0.058 0.000 1.308 101 A CA -0.370 51.677 52.037 0.016 0.000 0.949 101 A CB -0.404 18.655 19.000 0.099 0.000 1.148 101 A HN 0.774 nan 8.150 nan 0.000 0.545 102 I N 3.209 123.676 120.570 -0.173 0.000 2.533 102 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 102 I C 1.459 177.580 176.117 0.006 0.000 1.109 102 I CA 0.399 61.598 61.300 -0.167 0.000 1.412 102 I CB 1.004 38.804 38.000 -0.332 0.000 1.396 102 I HN 0.840 nan 8.210 nan 0.000 0.543 103 T N 0.760 115.351 114.554 0.063 0.000 2.964 103 T HA 0.239 4.589 4.350 -0.000 0.000 0.249 103 T C 0.515 175.272 174.700 0.094 0.000 1.000 103 T CA -0.082 62.056 62.100 0.064 0.000 0.992 103 T CB 0.566 69.467 68.868 0.055 0.000 1.087 103 T HN 0.397 nan 8.240 nan 0.000 0.489 104 E N 2.222 122.505 120.200 0.137 0.000 2.281 104 E HA 0.496 4.846 4.350 -0.000 0.000 0.266 104 E C -1.307 175.408 176.600 0.191 0.000 0.893 104 E CA -0.245 56.244 56.400 0.148 0.000 0.798 104 E CB 2.211 31.978 29.700 0.112 0.000 1.245 104 E HN 0.502 nan 8.360 nan 0.000 0.410 105 S N 1.687 117.509 115.700 0.202 0.000 2.542 105 S HA 0.701 5.171 4.470 -0.000 0.000 0.293 105 S C -0.824 173.902 174.600 0.209 0.000 1.089 105 S CA -0.965 57.345 58.200 0.184 0.000 0.961 105 S CB 2.539 65.761 63.200 0.037 0.000 1.062 105 S HN 0.291 nan 8.310 nan 0.000 0.483 106 D N 0.679 121.205 120.400 0.210 0.000 2.620 106 D HA 0.330 4.970 4.640 -0.000 0.000 0.252 106 D C -0.805 175.631 176.300 0.227 0.000 1.207 106 D CA -0.451 53.667 54.000 0.197 0.000 0.884 106 D CB 0.730 41.623 40.800 0.155 0.000 1.262 106 D HN 0.649 nan 8.370 nan 0.000 0.552 107 K N 2.723 123.258 120.400 0.225 0.000 3.156 107 K HA -0.246 4.074 4.320 -0.000 0.000 0.266 107 K C -0.281 176.460 176.600 0.234 0.000 0.966 107 K CA 0.507 56.925 56.287 0.217 0.000 0.719 107 K CB -1.148 31.453 32.500 0.169 0.000 1.333 107 K HN 0.521 nan 8.250 nan 0.000 0.468 108 F N -0.271 119.707 119.950 0.045 0.000 2.532 108 F HA 0.272 4.799 4.527 -0.000 0.000 0.276 108 F C 0.559 176.295 175.800 -0.108 0.000 0.911 108 F CA -0.102 57.864 58.000 -0.057 0.000 1.196 108 F CB 0.414 39.299 39.000 -0.193 0.000 1.087 108 F HN -0.030 nan 8.300 nan 0.000 0.775 109 F N 2.371 122.359 119.950 0.064 0.000 2.459 109 F HA 0.335 4.862 4.527 -0.000 0.000 0.346 109 F C 0.045 175.750 175.800 -0.159 0.000 1.128 109 F CA -0.295 57.520 58.000 -0.307 0.000 1.268 109 F CB 0.472 39.305 39.000 -0.278 0.000 1.161 109 F HN -0.267 nan 8.300 nan 0.000 0.583 110 I N 1.955 122.334 120.570 -0.319 0.000 2.433 110 I HA 0.155 4.325 4.170 -0.000 0.000 0.292 110 I C -0.154 175.629 176.117 -0.557 0.000 1.001 110 I CA -0.727 60.377 61.300 -0.327 0.000 1.119 110 I CB 1.589 39.432 38.000 -0.263 0.000 1.289 110 I HN 0.588 nan 8.210 nan 0.000 0.438 111 N N 4.229 122.352 118.700 -0.962 0.000 2.411 111 N HA 0.041 4.781 4.740 -0.000 0.000 0.265 111 N C 1.116 176.337 175.510 -0.481 0.000 1.266 111 N CA 1.053 53.470 53.050 -1.055 0.000 0.889 111 N CB 0.428 38.179 38.487 -1.227 0.000 1.069 111 N HN 1.007 nan 8.380 nan 0.000 0.476 112 G N 1.742 110.343 108.800 -0.331 0.000 2.184 112 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.264 112 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.264 112 G C 0.993 175.753 174.900 -0.234 0.000 0.975 112 G CA 0.742 45.707 45.100 -0.225 0.000 0.642 112 G HN 0.755 nan 8.290 nan 0.000 0.536 113 S N 0.068 115.574 115.700 -0.323 0.000 2.419 113 S HA -0.073 4.397 4.470 -0.000 0.000 0.233 113 S C 1.399 175.875 174.600 -0.207 0.000 1.016 113 S CA 1.442 59.487 58.200 -0.258 0.000 0.974 113 S CB -0.267 62.615 63.200 -0.531 0.000 0.786 113 S HN 1.674 nan 8.310 nan 0.000 0.492 114 N N 0.316 118.781 118.700 -0.390 0.000 2.878 114 N HA -0.119 4.621 4.740 -0.000 0.000 0.247 114 N C -0.442 174.694 175.510 -0.622 0.000 1.021 114 N CA 1.421 54.193 53.050 -0.465 0.000 0.873 114 N CB -1.815 36.479 38.487 -0.322 0.000 1.128 114 N HN 0.886 nan 8.380 nan 0.000 0.571 115 W N -0.549 120.450 121.300 -0.502 0.000 2.606 115 W HA 0.681 5.341 4.660 -0.000 0.000 0.332 115 W C 0.099 176.504 176.519 -0.190 0.000 1.052 115 W CA -0.670 56.412 57.345 -0.438 0.000 1.223 115 W CB 0.596 29.904 29.460 -0.254 0.000 1.383 115 W HN -0.038 nan 8.180 nan 0.000 0.524 116 E N 1.585 121.888 120.200 0.172 0.000 2.562 116 E HA 0.337 4.687 4.350 -0.000 0.000 0.214 116 E C 0.602 177.409 176.600 0.345 0.000 0.979 116 E CA 0.005 56.464 56.400 0.098 0.000 1.002 116 E CB 1.402 31.077 29.700 -0.042 0.000 1.048 116 E HN 0.619 nan 8.360 nan 0.000 0.488 117 G N 0.136 109.233 108.800 0.494 0.000 2.645 117 G HA2 0.635 4.595 3.960 -0.000 0.000 0.292 117 G HA3 0.635 4.595 3.960 -0.000 0.000 0.292 117 G C -1.739 173.342 174.900 0.302 0.000 1.415 117 G CA -0.705 44.621 45.100 0.377 0.000 0.785 117 G HN 0.074 nan 8.290 nan 0.000 0.483 118 I N -0.239 120.457 120.570 0.209 0.000 2.582 118 I HA 0.633 4.803 4.170 -0.000 0.000 0.292 118 I C -1.495 174.746 176.117 0.208 0.000 1.066 118 I CA -1.224 60.132 61.300 0.094 0.000 1.053 118 I CB 2.098 40.213 38.000 0.192 0.000 1.241 118 I HN 0.412 nan 8.210 nan 0.000 0.421 119 L N 7.927 129.200 121.223 0.083 0.000 2.297 119 L HA 0.583 4.923 4.340 -0.000 0.000 0.277 119 L C 0.138 177.019 176.870 0.019 0.000 1.040 119 L CA -0.128 54.744 54.840 0.053 0.000 0.867 119 L CB 0.765 42.715 42.059 -0.180 0.000 1.244 119 L HN 0.639 nan 8.230 nan 0.000 0.433 120 G N 5.114 113.993 108.800 0.132 0.000 2.389 120 G HA2 0.274 4.234 3.960 -0.000 0.000 0.287 120 G HA3 0.274 4.234 3.960 -0.000 0.000 0.287 120 G C 0.585 175.501 174.900 0.026 0.000 1.126 120 G CA -0.306 44.854 45.100 0.099 0.000 1.073 120 G HN 0.739 nan 8.290 nan 0.000 0.429 121 L N 1.910 123.094 121.223 -0.065 0.000 2.592 121 L HA 0.223 4.563 4.340 -0.000 0.000 0.227 121 L C 1.970 178.806 176.870 -0.057 0.000 1.127 121 L CA -0.114 54.636 54.840 -0.149 0.000 0.884 121 L CB -0.131 41.638 42.059 -0.484 0.000 1.065 121 L HN 0.583 nan 8.230 nan 0.000 0.457 122 A N -0.976 121.781 122.820 -0.105 0.000 2.275 122 A HA 0.367 4.687 4.320 -0.000 0.000 0.282 122 A C -0.631 176.707 177.584 -0.410 0.000 1.275 122 A CA -0.227 51.563 52.037 -0.411 0.000 0.842 122 A CB -0.010 18.796 19.000 -0.324 0.000 1.280 122 A HN 0.097 nan 8.150 nan 0.000 0.508 123 Y N -1.294 118.897 120.300 -0.181 0.000 2.301 123 Y HA 0.375 4.925 4.550 -0.000 0.000 0.328 123 Y C 1.703 177.589 175.900 -0.023 0.000 1.242 123 Y CA 0.274 58.340 58.100 -0.056 0.000 1.323 123 Y CB 0.757 39.197 38.460 -0.033 0.000 1.266 123 Y HN 0.697 nan 8.280 nan 0.000 0.527 124 A N 1.376 124.316 122.820 0.200 0.000 1.958 124 A HA -0.336 3.984 4.320 -0.000 0.000 0.221 124 A C 2.047 179.685 177.584 0.090 0.000 1.178 124 A CA 2.191 54.298 52.037 0.117 0.000 0.642 124 A CB -0.869 18.196 19.000 0.109 0.000 0.816 124 A HN 0.964 nan 8.150 nan 0.000 0.453 125 E N 0.553 120.824 120.200 0.118 0.000 2.136 125 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 125 E C 1.485 178.130 176.600 0.076 0.000 1.019 125 E CA 2.032 58.493 56.400 0.102 0.000 0.819 125 E CB -0.455 29.338 29.700 0.155 0.000 0.739 125 E HN 0.823 nan 8.360 nan 0.000 0.458 126 I N -2.305 118.276 120.570 0.018 0.000 3.891 126 I HA 0.458 4.628 4.170 -0.000 0.000 0.331 126 I C 0.536 176.595 176.117 -0.096 0.000 1.406 126 I CA -0.439 60.806 61.300 -0.091 0.000 1.139 126 I CB 0.108 37.880 38.000 -0.380 0.000 1.056 126 I HN 0.051 nan 8.210 nan 0.000 0.399 127 A N 1.777 124.580 122.820 -0.030 0.000 2.332 127 A HA 0.654 4.973 4.320 -0.000 0.000 0.258 127 A C 0.060 177.627 177.584 -0.027 0.000 1.087 127 A CA -0.361 51.669 52.037 -0.011 0.000 0.802 127 A CB 0.475 19.498 19.000 0.039 0.000 1.042 127 A HN 0.343 nan 8.150 nan 0.000 0.489 128 R N 0.997 121.476 120.500 -0.035 0.000 2.589 128 R HA 0.404 4.744 4.340 -0.000 0.000 0.293 128 R C -2.326 173.980 176.300 0.010 0.000 0.963 128 R CA -2.362 53.705 56.100 -0.054 0.000 0.905 128 R CB 0.772 30.972 30.300 -0.166 0.000 1.144 128 R HN 0.400 nan 8.270 nan 0.000 0.459 129 P HA -0.103 nan 4.420 nan 0.000 0.216 129 P C -0.161 177.142 177.300 0.006 0.000 1.153 129 P CA 1.322 64.427 63.100 0.009 0.000 0.844 129 P CB 0.384 32.101 31.700 0.029 0.000 0.787 130 D N -1.881 118.529 120.400 0.018 0.000 2.744 130 D HA 0.052 4.691 4.640 -0.000 0.000 0.304 130 D C -0.592 175.724 176.300 0.027 0.000 1.179 130 D CA -0.489 53.522 54.000 0.019 0.000 1.024 130 D CB 0.496 41.309 40.800 0.021 0.000 1.453 130 D HN -0.053 nan 8.370 nan 0.000 0.529 131 D N -1.287 119.131 120.400 0.029 0.000 2.338 131 D HA -0.060 4.580 4.640 -0.000 0.000 0.239 131 D C 1.427 177.751 176.300 0.039 0.000 1.095 131 D CA 0.279 54.302 54.000 0.038 0.000 0.888 131 D CB 0.098 40.921 40.800 0.038 0.000 0.899 131 D HN 0.253 nan 8.370 nan 0.000 0.525 132 S N -0.347 115.374 115.700 0.036 0.000 2.478 132 S HA -0.006 4.464 4.470 -0.000 0.000 0.222 132 S C 0.807 175.433 174.600 0.043 0.000 1.008 132 S CA -0.598 57.623 58.200 0.035 0.000 0.928 132 S CB -0.315 62.902 63.200 0.029 0.000 0.781 132 S HN 0.263 nan 8.310 nan 0.000 0.518 133 L N 3.585 124.839 121.223 0.051 0.000 2.515 133 L HA 0.340 4.680 4.340 -0.000 0.000 0.281 133 L C 0.241 177.156 176.870 0.074 0.000 1.131 133 L CA -0.009 54.870 54.840 0.067 0.000 0.905 133 L CB -0.246 41.859 42.059 0.078 0.000 1.246 133 L HN 0.316 nan 8.230 nan 0.000 0.463 134 E N 6.730 126.970 120.200 0.066 0.000 2.493 134 E HA 0.073 4.423 4.350 -0.000 0.000 0.255 134 E C -2.147 174.504 176.600 0.084 0.000 0.999 134 E CA -1.359 55.078 56.400 0.060 0.000 0.934 134 E CB 0.539 30.257 29.700 0.031 0.000 0.940 134 E HN 0.462 nan 8.360 nan 0.000 0.473 135 P HA -0.025 nan 4.420 nan 0.000 0.272 135 P C -0.056 177.305 177.300 0.102 0.000 1.230 135 P CA -0.216 62.960 63.100 0.126 0.000 0.788 135 P CB 0.408 32.174 31.700 0.110 0.000 0.949 136 F N 1.976 121.948 119.950 0.037 0.000 2.043 136 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 136 F C 2.010 177.769 175.800 -0.069 0.000 1.121 136 F CA 1.628 59.592 58.000 -0.060 0.000 1.199 136 F CB -0.836 38.023 39.000 -0.236 0.000 0.968 136 F HN 0.204 nan 8.300 nan 0.000 0.478 137 F N 1.515 121.388 119.950 -0.128 0.000 2.154 137 F HA -0.259 4.268 4.527 -0.000 0.000 0.301 137 F C 2.412 178.089 175.800 -0.204 0.000 1.087 137 F CA 2.221 60.111 58.000 -0.183 0.000 1.274 137 F CB -0.693 38.279 39.000 -0.047 0.000 1.009 137 F HN 0.083 nan 8.300 nan 0.000 0.485 138 D N -0.920 119.451 120.400 -0.049 0.000 2.144 138 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 138 D C 2.400 178.574 176.300 -0.211 0.000 0.984 138 D CA 1.555 55.517 54.000 -0.063 0.000 0.834 138 D CB -0.237 40.583 40.800 0.033 0.000 0.955 138 D HN 0.256 nan 8.370 nan 0.000 0.465 139 S N 0.975 116.494 115.700 -0.303 0.000 2.356 139 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 139 S C 1.970 176.305 174.600 -0.442 0.000 1.032 139 S CA 0.406 58.407 58.200 -0.332 0.000 1.005 139 S CB -0.299 62.692 63.200 -0.349 0.000 0.867 139 S HN 0.156 nan 8.310 nan 0.000 0.449 140 L N 1.825 122.619 121.223 -0.715 0.000 2.042 140 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 140 L C 2.133 178.716 176.870 -0.477 0.000 1.076 140 L CA 1.639 56.074 54.840 -0.675 0.000 0.749 140 L CB -0.564 40.946 42.059 -0.916 0.000 0.893 140 L HN 0.141 nan 8.230 nan 0.000 0.432 141 V N -0.758 118.874 119.914 -0.471 0.000 2.548 141 V HA -0.225 3.894 4.120 -0.000 0.000 0.249 141 V C 2.519 178.506 176.094 -0.178 0.000 1.055 141 V CA 1.746 63.878 62.300 -0.281 0.000 1.065 141 V CB -0.599 31.116 31.823 -0.178 0.000 0.681 141 V HN 0.430 nan 8.190 nan 0.000 0.462 142 K N -0.399 119.896 120.400 -0.175 0.000 2.167 142 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 142 K C 2.011 178.524 176.600 -0.145 0.000 1.052 142 K CA 0.984 57.197 56.287 -0.124 0.000 0.956 142 K CB -0.016 32.425 32.500 -0.099 0.000 0.735 142 K HN 0.502 nan 8.250 nan 0.000 0.451 143 Q N -0.049 119.638 119.800 -0.188 0.000 2.319 143 Q HA 0.014 4.354 4.340 -0.000 0.000 0.202 143 Q C 0.165 176.028 176.000 -0.229 0.000 0.896 143 Q CA 0.414 56.106 55.803 -0.184 0.000 0.942 143 Q CB 1.018 29.653 28.738 -0.171 0.000 1.083 143 Q HN 0.283 nan 8.270 nan 0.000 0.510 144 T N -4.371 110.021 114.554 -0.270 0.000 2.647 144 T HA 0.254 4.604 4.350 -0.000 0.000 0.295 144 T C 0.149 174.623 174.700 -0.377 0.000 1.126 144 T CA -0.799 61.100 62.100 -0.334 0.000 1.040 144 T CB 0.871 69.613 68.868 -0.210 0.000 1.472 144 T HN -0.018 nan 8.240 nan 0.000 0.500 145 H N -0.716 118.327 119.070 -0.045 0.000 2.551 145 H HA 0.368 4.924 4.556 -0.000 0.000 0.271 145 H C 0.508 175.824 175.328 -0.021 0.000 0.984 145 H CA -0.100 55.931 56.048 -0.027 0.000 1.164 145 H CB -0.010 29.744 29.762 -0.012 0.000 1.437 145 H HN 0.295 nan 8.280 nan 0.000 0.550 146 V N 4.306 124.234 119.914 0.024 0.000 2.584 146 V HA -0.043 4.077 4.120 -0.000 0.000 0.303 146 V C -1.807 174.311 176.094 0.040 0.000 1.035 146 V CA -0.750 61.563 62.300 0.021 0.000 1.172 146 V CB 0.286 32.075 31.823 -0.057 0.000 0.896 146 V HN 0.132 nan 8.190 nan 0.000 0.486 147 P HA 0.060 nan 4.420 nan 0.000 0.268 147 P C 0.099 177.515 177.300 0.193 0.000 1.205 147 P CA -0.267 62.906 63.100 0.122 0.000 0.771 147 P CB 0.270 32.041 31.700 0.120 0.000 0.858 148 N N 2.889 121.707 118.700 0.197 0.000 3.117 148 N HA 0.101 4.841 4.740 -0.000 0.000 0.323 148 N C -0.875 174.863 175.510 0.380 0.000 1.245 148 N CA 0.213 53.457 53.050 0.324 0.000 1.191 148 N CB -1.318 37.312 38.487 0.238 0.000 1.451 148 N HN 0.222 nan 8.380 nan 0.000 0.555 149 L N -1.201 120.282 121.223 0.432 0.000 2.582 149 L HA 0.773 5.113 4.340 -0.000 0.000 0.257 149 L C -1.499 175.535 176.870 0.273 0.000 0.974 149 L CA -1.393 53.578 54.840 0.219 0.000 0.851 149 L CB 0.838 42.945 42.059 0.080 0.000 1.424 149 L HN -0.007 nan 8.230 nan 0.000 0.412 150 F N -0.255 119.657 119.950 -0.063 0.000 2.613 150 F HA 0.967 5.494 4.527 -0.000 0.000 0.310 150 F C -0.674 175.082 175.800 -0.074 0.000 1.085 150 F CA -0.311 57.637 58.000 -0.087 0.000 0.945 150 F CB 1.675 40.485 39.000 -0.317 0.000 1.298 150 F HN 0.843 nan 8.300 nan 0.000 0.455 151 S N 2.233 117.970 115.700 0.061 0.000 2.548 151 S HA 0.871 5.341 4.470 -0.000 0.000 0.286 151 S C -1.573 173.057 174.600 0.050 0.000 1.098 151 S CA -0.820 57.301 58.200 -0.130 0.000 0.930 151 S CB 1.874 64.857 63.200 -0.362 0.000 1.070 151 S HN 0.872 nan 8.310 nan 0.000 0.480 152 L N 1.844 123.055 121.223 -0.020 0.000 2.385 152 L HA 0.580 4.920 4.340 -0.000 0.000 0.273 152 L C -0.415 176.526 176.870 0.118 0.000 0.990 152 L CA -0.431 54.457 54.840 0.080 0.000 0.821 152 L CB 2.119 44.231 42.059 0.089 0.000 1.279 152 L HN 0.763 nan 8.230 nan 0.000 0.412 153 Q N 4.641 124.521 119.800 0.134 0.000 2.454 153 Q HA 0.461 4.801 4.340 -0.000 0.000 0.255 153 Q C -1.617 174.318 176.000 -0.108 0.000 1.034 153 Q CA -0.530 55.339 55.803 0.110 0.000 0.736 153 Q CB 1.266 30.073 28.738 0.115 0.000 1.210 153 Q HN 0.616 nan 8.270 nan 0.000 0.500 154 L N 3.512 124.605 121.223 -0.217 0.000 2.260 154 L HA 0.464 4.803 4.340 -0.000 0.000 0.289 154 L C -0.521 176.124 176.870 -0.376 0.000 1.057 154 L CA -0.772 53.720 54.840 -0.580 0.000 0.811 154 L CB 0.996 42.584 42.059 -0.784 0.000 1.184 154 L HN 0.612 nan 8.230 nan 0.000 0.429 155 C N 2.900 122.015 119.300 -0.309 0.000 2.295 155 C HA 0.699 5.159 4.460 -0.000 0.000 0.331 155 C C 1.021 176.046 174.990 0.059 0.000 1.280 155 C CA -0.765 58.205 59.018 -0.081 0.000 1.746 155 C CB 0.422 28.130 27.740 -0.054 0.000 2.328 155 C HN 0.931 nan 8.230 nan 0.000 0.521 156 G N 1.171 109.996 108.800 0.043 0.000 2.462 156 G HA2 0.550 4.510 3.960 -0.000 0.000 0.319 156 G HA3 0.550 4.510 3.960 -0.000 0.000 0.319 156 G C 0.530 175.391 174.900 -0.066 0.000 1.171 156 G CA 0.165 45.289 45.100 0.040 0.000 0.920 156 G HN 0.934 nan 8.290 nan 0.000 0.499 157 A N -0.829 121.883 122.820 -0.180 0.000 1.924 157 A HA 0.489 4.808 4.320 -0.000 0.000 0.211 157 A C 2.016 179.445 177.584 -0.259 0.000 1.198 157 A CA 1.620 53.407 52.037 -0.417 0.000 0.657 157 A CB -0.514 17.933 19.000 -0.922 0.000 0.852 157 A HN 2.310 nan 8.150 nan 0.000 0.454 158 G N -2.135 106.596 108.800 -0.114 0.000 2.213 158 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.236 158 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.236 158 G C 0.148 175.255 174.900 0.344 0.000 0.991 158 G CA 0.454 45.637 45.100 0.137 0.000 0.629 158 G HN 1.513 nan 8.290 nan 0.000 0.517 159 F N -0.965 119.047 119.950 0.104 0.000 2.645 159 F HA 0.841 5.368 4.527 -0.000 0.000 0.310 159 F C -2.806 173.006 175.800 0.021 0.000 1.102 159 F CA -2.906 55.135 58.000 0.067 0.000 0.952 159 F CB 0.879 39.914 39.000 0.059 0.000 1.326 159 F HN -0.012 nan 8.300 nan 0.000 0.456 160 P HA 0.376 nan 4.420 nan 0.000 0.279 160 P C -1.244 176.061 177.300 0.008 0.000 1.239 160 P CA -0.100 62.981 63.100 -0.031 0.000 0.789 160 P CB 1.815 33.513 31.700 -0.004 0.000 0.933 161 L N 3.214 124.391 121.223 -0.076 0.000 2.322 161 L HA 0.403 4.743 4.340 -0.000 0.000 0.281 161 L C 1.276 178.140 176.870 -0.010 0.000 1.014 161 L CA -0.888 53.938 54.840 -0.024 0.000 0.815 161 L CB 1.398 43.404 42.059 -0.088 0.000 1.247 161 L HN 0.454 nan 8.230 nan 0.000 0.421 162 N N 1.212 119.922 118.700 0.018 0.000 2.347 162 N HA -0.005 4.735 4.740 -0.000 0.000 0.253 162 N C 0.510 176.018 175.510 -0.003 0.000 1.274 162 N CA -0.706 52.347 53.050 0.006 0.000 0.941 162 N CB 0.871 39.367 38.487 0.016 0.000 1.200 162 N HN 0.566 nan 8.380 nan 0.000 0.514 163 Q N 0.514 120.309 119.800 -0.007 0.000 2.248 163 Q HA -0.198 4.142 4.340 -0.000 0.000 0.208 163 Q C 2.028 178.029 176.000 0.002 0.000 0.984 163 Q CA 1.759 57.556 55.803 -0.009 0.000 0.875 163 Q CB -0.452 28.279 28.738 -0.012 0.000 0.910 163 Q HN 0.727 nan 8.270 nan 0.000 0.433 164 S N -0.654 115.051 115.700 0.009 0.000 2.371 164 S HA -0.134 4.336 4.470 -0.000 0.000 0.224 164 S C 1.506 176.116 174.600 0.016 0.000 1.029 164 S CA 1.303 59.512 58.200 0.014 0.000 0.978 164 S CB -0.132 63.078 63.200 0.017 0.000 0.833 164 S HN 0.572 nan 8.310 nan 0.000 0.466 165 E N 0.310 120.520 120.200 0.018 0.000 2.158 165 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 165 E C 2.045 178.648 176.600 0.004 0.000 0.982 165 E CA 1.015 57.427 56.400 0.020 0.000 0.823 165 E CB -0.088 29.635 29.700 0.039 0.000 0.766 165 E HN 0.405 nan 8.360 nan 0.000 0.468 166 V N 1.365 121.276 119.914 -0.005 0.000 2.515 166 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 166 V C 2.157 178.257 176.094 0.010 0.000 1.058 166 V CA 1.280 63.571 62.300 -0.015 0.000 1.064 166 V CB -0.391 31.421 31.823 -0.018 0.000 0.675 166 V HN 0.227 nan 8.190 nan 0.000 0.461 167 L N 0.165 121.403 121.223 0.025 0.000 2.095 167 L HA 0.043 4.383 4.340 -0.000 0.000 0.204 167 L C 2.581 179.468 176.870 0.028 0.000 1.080 167 L CA 1.336 56.204 54.840 0.046 0.000 0.759 167 L CB -0.572 41.509 42.059 0.037 0.000 0.914 167 L HN 0.309 nan 8.230 nan 0.000 0.439 168 A N -0.668 122.162 122.820 0.017 0.000 2.167 168 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 168 A C 1.229 178.815 177.584 0.002 0.000 1.151 168 A CA 0.775 52.819 52.037 0.012 0.000 0.735 168 A CB -0.390 18.619 19.000 0.015 0.000 0.802 168 A HN 0.441 nan 8.150 nan 0.000 0.467 169 S N -1.289 114.408 115.700 -0.005 0.000 2.638 169 S HA 0.628 5.098 4.470 -0.000 0.000 0.298 169 S C -0.370 174.209 174.600 -0.035 0.000 1.111 169 S CA -0.750 57.441 58.200 -0.014 0.000 1.027 169 S CB 1.531 64.726 63.200 -0.008 0.000 1.064 169 S HN 0.120 nan 8.310 nan 0.000 0.525 170 V N 1.862 121.754 119.914 -0.037 0.000 2.530 170 V HA 0.464 4.584 4.120 -0.000 0.000 0.282 170 V C 1.415 177.484 176.094 -0.043 0.000 1.048 170 V CA 0.348 62.616 62.300 -0.054 0.000 0.997 170 V CB 1.006 32.797 31.823 -0.053 0.000 0.987 170 V HN 1.188 nan 8.190 nan 0.000 0.477 171 G N 2.318 111.089 108.800 -0.049 0.000 3.088 171 G HA2 0.560 4.520 3.960 -0.000 0.000 0.217 171 G HA3 0.560 4.520 3.960 -0.000 0.000 0.217 171 G C 0.535 175.411 174.900 -0.040 0.000 1.159 171 G CA 0.571 45.688 45.100 0.027 0.000 0.760 171 G HN 1.369 nan 8.290 nan 0.000 0.550 172 G N -0.901 107.852 108.800 -0.079 0.000 2.293 172 G HA2 0.338 4.298 3.960 -0.000 0.000 0.282 172 G HA3 0.338 4.298 3.960 -0.000 0.000 0.282 172 G C -0.941 173.911 174.900 -0.080 0.000 1.299 172 G CA -0.164 44.871 45.100 -0.107 0.000 1.018 172 G HN 0.777 nan 8.290 nan 0.000 0.478 173 S N -0.645 115.023 115.700 -0.053 0.000 2.569 173 S HA 0.755 5.225 4.470 -0.000 0.000 0.280 173 S C -0.432 174.188 174.600 0.035 0.000 1.111 173 S CA -0.423 57.773 58.200 -0.007 0.000 0.887 173 S CB 1.890 65.097 63.200 0.012 0.000 1.095 173 S HN 0.999 nan 8.310 nan 0.000 0.476 174 M N 3.602 123.229 119.600 0.046 0.000 2.018 174 M HA 0.451 4.931 4.480 -0.000 0.000 0.311 174 M C -1.792 174.578 176.300 0.117 0.000 0.928 174 M CA -0.703 54.642 55.300 0.075 0.000 0.911 174 M CB 0.219 32.832 32.600 0.021 0.000 1.447 174 M HN 0.459 nan 8.290 nan 0.000 0.407 175 I N 6.521 127.189 120.570 0.163 0.000 2.308 175 I HA 0.222 4.392 4.170 -0.000 0.000 0.293 175 I C -0.109 176.131 176.117 0.204 0.000 1.078 175 I CA -0.345 61.054 61.300 0.165 0.000 1.292 175 I CB 0.041 38.146 38.000 0.175 0.000 1.423 175 I HN 0.694 nan 8.210 nan 0.000 0.493 176 I N 5.736 126.429 120.570 0.204 0.000 2.379 176 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 176 I C 1.266 177.540 176.117 0.262 0.000 1.063 176 I CA 0.310 61.784 61.300 0.289 0.000 1.351 176 I CB 0.643 38.790 38.000 0.246 0.000 1.410 176 I HN 0.863 nan 8.210 nan 0.000 0.505 177 G N 3.814 112.815 108.800 0.335 0.000 2.176 177 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.232 177 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.232 177 G C 0.242 175.244 174.900 0.170 0.000 0.986 177 G CA -0.275 44.971 45.100 0.244 0.000 0.643 177 G HN 1.153 nan 8.290 nan 0.000 0.522 178 G N -1.203 107.688 108.800 0.152 0.000 2.561 178 G HA2 0.630 4.590 3.960 -0.000 0.000 0.310 178 G HA3 0.630 4.590 3.960 -0.000 0.000 0.310 178 G C -1.494 173.458 174.900 0.087 0.000 1.292 178 G CA -0.396 44.767 45.100 0.105 0.000 0.811 178 G HN 0.737 nan 8.290 nan 0.000 0.482 179 I N 0.863 121.470 120.570 0.063 0.000 2.509 179 I HA 0.376 4.546 4.170 -0.000 0.000 0.293 179 I C -1.376 174.738 176.117 -0.005 0.000 1.020 179 I CA -0.707 60.626 61.300 0.055 0.000 1.088 179 I CB 2.300 40.278 38.000 -0.037 0.000 1.267 179 I HN 0.366 nan 8.210 nan 0.000 0.430 180 D N 4.874 125.304 120.400 0.051 0.000 2.408 180 D HA 0.214 4.854 4.640 -0.000 0.000 0.243 180 D C 0.596 176.835 176.300 -0.103 0.000 1.075 180 D CA -0.315 53.660 54.000 -0.041 0.000 0.832 180 D CB 1.044 41.837 40.800 -0.011 0.000 1.162 180 D HN 0.514 nan 8.370 nan 0.000 0.515 181 H N 1.729 120.863 119.070 0.106 0.000 2.563 181 H HA -0.038 4.518 4.556 -0.000 0.000 0.272 181 H C 1.580 176.776 175.328 -0.219 0.000 1.005 181 H CA 0.719 56.762 56.048 -0.008 0.000 1.171 181 H CB 0.352 30.075 29.762 -0.064 0.000 1.351 181 H HN 0.364 nan 8.280 nan 0.000 0.602 182 S N 0.097 115.754 115.700 -0.072 0.000 2.548 182 S HA 0.065 4.535 4.470 -0.000 0.000 0.215 182 S C 1.733 176.243 174.600 -0.151 0.000 0.976 182 S CA -0.166 57.970 58.200 -0.107 0.000 0.908 182 S CB -0.258 62.903 63.200 -0.065 0.000 0.781 182 S HN 0.247 nan 8.310 nan 0.000 0.519 183 L N 0.508 121.588 121.223 -0.238 0.000 2.558 183 L HA 0.327 4.667 4.340 -0.000 0.000 0.225 183 L C 0.442 177.191 176.870 -0.203 0.000 1.128 183 L CA -0.125 54.500 54.840 -0.359 0.000 0.868 183 L CB -0.234 41.327 42.059 -0.831 0.000 1.006 183 L HN 0.592 nan 8.230 nan 0.000 0.454 184 Y N -2.327 117.809 120.300 -0.273 0.000 2.689 184 Y HA 0.706 5.256 4.550 -0.000 0.000 0.333 184 Y C -0.486 175.416 175.900 0.002 0.000 1.190 184 Y CA -1.609 56.446 58.100 -0.075 0.000 1.063 184 Y CB 1.011 39.493 38.460 0.037 0.000 1.294 184 Y HN -0.124 nan 8.280 nan 0.000 0.466 185 T N -1.044 113.582 114.554 0.119 0.000 2.903 185 T HA 0.767 5.117 4.350 -0.000 0.000 0.299 185 T C 0.132 174.922 174.700 0.149 0.000 1.093 185 T CA -0.217 61.881 62.100 -0.003 0.000 1.002 185 T CB 1.062 69.944 68.868 0.023 0.000 1.127 185 T HN 2.460 nan 8.240 nan 0.000 0.488 186 G N 1.728 110.578 108.800 0.083 0.000 2.681 186 G HA2 0.137 4.097 3.960 -0.000 0.000 0.220 186 G HA3 0.137 4.097 3.960 -0.000 0.000 0.220 186 G C -0.113 174.930 174.900 0.238 0.000 1.353 186 G CA -0.251 44.940 45.100 0.151 0.000 0.872 186 G HN 2.103 nan 8.290 nan 0.000 0.557 187 S N -0.977 114.861 115.700 0.229 0.000 2.654 187 S HA 0.744 5.214 4.470 -0.000 0.000 0.283 187 S C 0.137 174.823 174.600 0.143 0.000 1.180 187 S CA -0.778 57.525 58.200 0.171 0.000 1.021 187 S CB 1.843 65.049 63.200 0.010 0.000 1.018 187 S HN 0.938 nan 8.310 nan 0.000 0.532 188 L N 1.955 123.156 121.223 -0.036 0.000 2.265 188 L HA 0.397 4.737 4.340 -0.000 0.000 0.288 188 L C -1.059 175.518 176.870 -0.489 0.000 1.058 188 L CA -0.459 54.219 54.840 -0.269 0.000 0.809 188 L CB 0.384 42.219 42.059 -0.373 0.000 1.179 188 L HN 0.735 nan 8.230 nan 0.000 0.429 189 W N 3.038 123.977 121.300 -0.603 0.000 2.520 189 W HA 0.434 5.094 4.660 -0.000 0.000 0.323 189 W C -0.581 175.429 176.519 -0.849 0.000 1.062 189 W CA -0.186 56.634 57.345 -0.875 0.000 1.215 189 W CB 0.968 29.436 29.460 -1.653 0.000 1.340 189 W HN 0.221 nan 8.180 nan 0.000 0.516 190 Y N 1.414 121.605 120.300 -0.182 0.000 2.387 190 Y HA 0.526 5.076 4.550 -0.000 0.000 0.336 190 Y C 0.547 176.702 175.900 0.424 0.000 1.067 190 Y CA -0.812 57.346 58.100 0.096 0.000 1.114 190 Y CB 2.085 40.543 38.460 -0.004 0.000 1.208 190 Y HN 0.168 nan 8.280 nan 0.000 0.458 191 T N 4.483 119.390 114.554 0.588 0.000 2.863 191 T HA 0.515 4.865 4.350 -0.000 0.000 0.285 191 T C -2.914 171.967 174.700 0.302 0.000 1.009 191 T CA -2.668 59.708 62.100 0.461 0.000 0.989 191 T CB 1.139 70.212 68.868 0.343 0.000 1.004 191 T HN 0.233 nan 8.240 nan 0.000 0.455 192 P HA 0.281 nan 4.420 nan 0.000 0.271 192 P C -0.509 176.903 177.300 0.186 0.000 1.216 192 P CA -0.209 62.999 63.100 0.179 0.000 0.776 192 P CB 0.279 32.065 31.700 0.144 0.000 0.881 193 I N 3.784 124.468 120.570 0.190 0.000 2.379 193 I HA 0.147 4.317 4.170 -0.000 0.000 0.290 193 I C 1.987 178.214 176.117 0.183 0.000 1.063 193 I CA -0.105 61.336 61.300 0.234 0.000 1.351 193 I CB 0.579 38.750 38.000 0.285 0.000 1.410 193 I HN 0.474 nan 8.210 nan 0.000 0.505 194 R N 5.626 126.246 120.500 0.200 0.000 2.083 194 R HA -0.011 4.329 4.340 -0.000 0.000 0.237 194 R C 0.926 177.297 176.300 0.119 0.000 1.137 194 R CA 1.419 57.613 56.100 0.158 0.000 0.951 194 R CB 0.322 30.734 30.300 0.187 0.000 0.851 194 R HN 0.580 nan 8.270 nan 0.000 0.434 195 R N -0.253 120.353 120.500 0.176 0.000 2.799 195 R HA 0.183 4.523 4.340 -0.000 0.000 0.270 195 R C -1.345 175.031 176.300 0.126 0.000 1.010 195 R CA -0.543 55.592 56.100 0.058 0.000 0.916 195 R CB 1.878 32.109 30.300 -0.116 0.000 1.228 195 R HN 0.101 nan 8.270 nan 0.000 0.469 196 E N 2.852 122.984 120.200 -0.112 0.000 2.136 196 E HA 0.128 4.478 4.350 -0.000 0.000 0.246 196 E C -0.205 176.313 176.600 -0.136 0.000 1.017 196 E CA -0.180 55.923 56.400 -0.496 0.000 0.883 196 E CB 0.479 29.552 29.700 -1.046 0.000 1.199 196 E HN 0.462 nan 8.360 nan 0.000 0.447 197 W N 1.776 123.063 121.300 -0.021 0.000 4.714 197 W HA 0.205 4.865 4.660 -0.000 0.000 0.177 197 W C -0.307 176.246 176.519 0.056 0.000 2.961 197 W CA -0.099 57.276 57.345 0.050 0.000 1.926 197 W CB -0.361 29.117 29.460 0.029 0.000 1.627 197 W HN 0.053 nan 8.180 nan 0.000 0.726 198 Y N 0.230 120.368 120.300 -0.271 0.000 2.496 198 Y HA 0.397 4.947 4.550 -0.000 0.000 0.325 198 Y C -0.322 175.520 175.900 -0.097 0.000 1.271 198 Y CA -0.792 57.104 58.100 -0.340 0.000 1.368 198 Y CB 0.420 38.522 38.460 -0.596 0.000 1.415 198 Y HN -0.210 nan 8.280 nan 0.000 0.527 199 Y N 1.073 121.575 120.300 0.336 0.000 2.632 199 Y HA 0.133 4.683 4.550 -0.000 0.000 0.336 199 Y C 0.201 176.261 175.900 0.268 0.000 1.237 199 Y CA -0.390 57.929 58.100 0.365 0.000 1.595 199 Y CB -0.037 38.668 38.460 0.410 0.000 1.508 199 Y HN 0.386 nan 8.280 nan 0.000 0.480 200 E N 3.147 123.572 120.200 0.374 0.000 2.227 200 E HA 0.504 4.854 4.350 -0.000 0.000 0.282 200 E C -0.829 175.937 176.600 0.277 0.000 1.015 200 E CA -0.652 55.925 56.400 0.294 0.000 0.823 200 E CB 0.954 30.899 29.700 0.408 0.000 1.081 200 E HN 0.417 nan 8.360 nan 0.000 0.396 201 V N 1.470 121.508 119.914 0.207 0.000 3.145 201 V HA 0.662 4.782 4.120 -0.000 0.000 0.311 201 V C -0.444 175.725 176.094 0.126 0.000 1.238 201 V CA -1.034 61.367 62.300 0.167 0.000 1.066 201 V CB 1.514 33.424 31.823 0.145 0.000 1.144 201 V HN 0.657 nan 8.190 nan 0.000 0.465 202 I N 1.225 121.847 120.570 0.086 0.000 2.439 202 I HA 0.480 4.650 4.170 -0.000 0.000 0.285 202 I C -0.729 175.400 176.117 0.020 0.000 1.021 202 I CA -0.320 61.025 61.300 0.075 0.000 1.091 202 I CB 1.780 39.834 38.000 0.089 0.000 1.242 202 I HN 0.490 nan 8.210 nan 0.000 0.439 203 I N 6.648 127.238 120.570 0.032 0.000 2.371 203 I HA 0.101 4.271 4.170 -0.000 0.000 0.290 203 I C 1.205 177.371 176.117 0.082 0.000 1.028 203 I CA -0.166 61.126 61.300 -0.013 0.000 1.345 203 I CB 1.362 39.343 38.000 -0.031 0.000 1.407 203 I HN 0.521 nan 8.210 nan 0.000 0.501 204 V N 2.770 122.708 119.914 0.040 0.000 3.635 204 V HA 0.380 4.500 4.120 -0.000 0.000 0.266 204 V C 0.618 176.763 176.094 0.085 0.000 1.316 204 V CA 0.091 62.441 62.300 0.084 0.000 1.060 204 V CB 0.001 31.839 31.823 0.024 0.000 0.820 204 V HN 0.830 nan 8.190 nan 0.000 0.447 205 R N -0.248 120.238 120.500 -0.023 0.000 2.604 205 R HA 0.707 5.047 4.340 -0.000 0.000 0.270 205 R C -2.332 173.842 176.300 -0.210 0.000 1.052 205 R CA -0.394 55.616 56.100 -0.150 0.000 0.902 205 R CB 2.794 32.726 30.300 -0.613 0.000 1.233 205 R HN 0.109 nan 8.270 nan 0.000 0.455 206 V N 3.029 122.732 119.914 -0.352 0.000 2.531 206 V HA 0.452 4.572 4.120 -0.000 0.000 0.301 206 V C -0.731 175.285 176.094 -0.130 0.000 1.034 206 V CA -0.676 61.414 62.300 -0.350 0.000 0.865 206 V CB 1.911 33.299 31.823 -0.725 0.000 0.995 206 V HN 0.787 nan 8.190 nan 0.000 0.424 207 E N 4.170 124.344 120.200 -0.045 0.000 2.248 207 E HA 0.570 4.920 4.350 -0.000 0.000 0.267 207 E C -1.432 175.166 176.600 -0.003 0.000 0.877 207 E CA -0.766 55.632 56.400 -0.003 0.000 0.759 207 E CB 2.324 32.060 29.700 0.060 0.000 1.182 207 E HN 0.396 nan 8.360 nan 0.000 0.418 208 I N 3.114 123.690 120.570 0.010 0.000 2.354 208 I HA 0.173 4.343 4.170 -0.000 0.000 0.286 208 I C 0.447 176.597 176.117 0.055 0.000 1.007 208 I CA -0.247 61.074 61.300 0.036 0.000 1.167 208 I CB 0.468 38.485 38.000 0.029 0.000 1.320 208 I HN 0.784 nan 8.210 nan 0.000 0.458 209 N N 4.824 123.573 118.700 0.080 0.000 2.714 209 N HA -0.250 4.490 4.740 -0.000 0.000 0.252 209 N C 1.195 176.737 175.510 0.053 0.000 1.014 209 N CA 0.628 53.727 53.050 0.081 0.000 0.735 209 N CB -0.312 38.231 38.487 0.093 0.000 0.924 209 N HN 1.146 nan 8.380 nan 0.000 0.540 210 G N -0.354 108.471 108.800 0.043 0.000 2.267 210 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.257 210 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.257 210 G C -0.097 174.814 174.900 0.018 0.000 0.998 210 G CA 0.696 45.816 45.100 0.033 0.000 0.620 210 G HN 0.606 nan 8.290 nan 0.000 0.529 211 Q N 1.124 120.934 119.800 0.017 0.000 2.279 211 Q HA 0.456 4.796 4.340 -0.000 0.000 0.256 211 Q C -0.515 175.481 176.000 -0.006 0.000 0.937 211 Q CA -0.514 55.291 55.803 0.004 0.000 0.933 211 Q CB 0.668 29.411 28.738 0.007 0.000 1.189 211 Q HN 0.258 nan 8.270 nan 0.000 0.417 212 D N 3.552 123.939 120.400 -0.021 0.000 2.383 212 D HA -0.042 4.598 4.640 -0.000 0.000 0.252 212 D C 0.576 176.875 176.300 -0.002 0.000 1.166 212 D CA -0.162 53.820 54.000 -0.030 0.000 0.879 212 D CB 0.907 41.673 40.800 -0.056 0.000 1.164 212 D HN 0.577 nan 8.370 nan 0.000 0.462 213 L N 3.969 125.205 121.223 0.022 0.000 2.362 213 L HA -0.007 4.333 4.340 -0.000 0.000 0.219 213 L C 1.589 178.502 176.870 0.073 0.000 1.134 213 L CA 1.065 55.939 54.840 0.057 0.000 0.807 213 L CB -1.034 41.087 42.059 0.105 0.000 0.927 213 L HN 0.799 nan 8.230 nan 0.000 0.447 214 K N -0.535 119.908 120.400 0.072 0.000 3.035 214 K HA -0.251 4.069 4.320 -0.000 0.000 0.262 214 K C -0.004 176.597 176.600 0.003 0.000 1.024 214 K CA 0.474 56.779 56.287 0.030 0.000 0.748 214 K CB -0.873 31.623 32.500 -0.006 0.000 1.247 214 K HN 0.314 nan 8.250 nan 0.000 0.482 215 M N 0.492 120.099 119.600 0.010 0.000 2.368 215 M HA 0.091 4.571 4.480 -0.000 0.000 0.311 215 M C 0.286 176.401 176.300 -0.310 0.000 1.168 215 M CA -0.654 54.546 55.300 -0.168 0.000 1.044 215 M CB 0.687 33.146 32.600 -0.235 0.000 1.506 215 M HN 0.091 nan 8.290 nan 0.000 0.475 216 D N 1.107 121.342 120.400 -0.276 0.000 2.389 216 D HA -0.005 4.635 4.640 -0.000 0.000 0.263 216 D C 1.227 177.290 176.300 -0.396 0.000 1.255 216 D CA -0.289 53.567 54.000 -0.240 0.000 0.914 216 D CB 0.699 41.401 40.800 -0.164 0.000 1.116 216 D HN 0.745 nan 8.370 nan 0.000 0.502 217 C N 4.228 123.332 119.300 -0.327 0.000 2.396 217 C HA -0.181 4.279 4.460 -0.000 0.000 0.279 217 C C 2.053 176.925 174.990 -0.197 0.000 1.229 217 C CA 0.546 59.374 59.018 -0.317 0.000 1.801 217 C CB -0.803 26.928 27.740 -0.016 0.000 2.050 217 C HN 0.676 nan 8.230 nan 0.000 0.491 218 K N 0.701 121.038 120.400 -0.105 0.000 2.360 218 K HA -0.105 4.215 4.320 -0.000 0.000 0.201 218 K C 2.100 178.700 176.600 0.000 0.000 1.046 218 K CA 1.316 57.613 56.287 0.017 0.000 0.940 218 K CB -0.178 32.365 32.500 0.072 0.000 0.748 218 K HN 0.629 nan 8.250 nan 0.000 0.465 219 E N 0.161 120.255 120.200 -0.176 0.000 2.106 219 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 219 E C 1.759 178.369 176.600 0.016 0.000 0.984 219 E CA 1.205 57.512 56.400 -0.154 0.000 0.806 219 E CB -0.231 29.288 29.700 -0.302 0.000 0.750 219 E HN 0.541 nan 8.360 nan 0.000 0.458 220 Y N 0.812 121.139 120.300 0.045 0.000 2.497 220 Y HA -0.047 4.503 4.550 -0.000 0.000 0.292 220 Y C 1.349 177.278 175.900 0.049 0.000 1.137 220 Y CA 0.310 58.433 58.100 0.038 0.000 1.285 220 Y CB 0.157 38.625 38.460 0.013 0.000 0.991 220 Y HN 0.028 nan 8.280 nan 0.000 0.556 221 N N -1.036 117.788 118.700 0.205 0.000 2.291 221 N HA -0.044 4.696 4.740 -0.000 0.000 0.244 221 N C -0.742 174.830 175.510 0.103 0.000 1.216 221 N CA -0.213 52.927 53.050 0.149 0.000 0.879 221 N CB 0.090 38.677 38.487 0.167 0.000 1.167 221 N HN 0.170 nan 8.380 nan 0.000 0.515 222 Y N 3.021 123.279 120.300 -0.071 0.000 2.853 222 Y HA -0.095 4.455 4.550 -0.000 0.000 0.365 222 Y C 0.971 176.663 175.900 -0.347 0.000 1.310 222 Y CA 0.736 58.673 58.100 -0.272 0.000 1.703 222 Y CB -0.444 37.894 38.460 -0.204 0.000 1.238 222 Y HN 0.294 nan 8.280 nan 0.000 0.510 223 D N 1.598 121.454 120.400 -0.908 0.000 3.402 223 D HA -0.213 4.427 4.640 -0.000 0.000 0.226 223 D C -0.937 175.325 176.300 -0.062 0.000 0.952 223 D CA 1.960 55.566 54.000 -0.656 0.000 2.153 223 D CB -1.042 39.386 40.800 -0.619 0.000 1.235 223 D HN 0.737 nan 8.370 nan 0.000 0.550 224 K N -1.376 118.977 120.400 -0.078 0.000 2.703 224 K HA 0.648 4.968 4.320 -0.000 0.000 0.285 224 K C -1.773 174.813 176.600 -0.023 0.000 1.014 224 K CA -0.846 55.464 56.287 0.037 0.000 0.858 224 K CB 1.406 33.936 32.500 0.050 0.000 1.467 224 K HN 0.025 nan 8.250 nan 0.000 0.383 225 S N 1.574 117.292 115.700 0.030 0.000 2.498 225 S HA 0.630 5.100 4.470 -0.000 0.000 0.317 225 S C -0.297 174.316 174.600 0.021 0.000 1.090 225 S CA -0.849 57.362 58.200 0.019 0.000 1.089 225 S CB 0.325 63.558 63.200 0.055 0.000 0.997 225 S HN 0.546 nan 8.310 nan 0.000 0.470 226 I N -0.368 120.192 120.570 -0.016 0.000 3.002 226 I HA 0.792 4.962 4.170 -0.000 0.000 0.310 226 I C -1.216 174.970 176.117 0.115 0.000 1.087 226 I CA -1.261 60.058 61.300 0.033 0.000 1.017 226 I CB 1.898 39.828 38.000 -0.117 0.000 1.226 226 I HN 0.225 nan 8.210 nan 0.000 0.443 227 V N 2.912 122.963 119.914 0.229 0.000 2.311 227 V HA 0.362 4.482 4.120 -0.000 0.000 0.275 227 V C -0.995 175.267 176.094 0.280 0.000 1.022 227 V CA 0.027 62.483 62.300 0.261 0.000 0.830 227 V CB 0.740 32.745 31.823 0.302 0.000 1.012 227 V HN 0.756 nan 8.190 nan 0.000 0.452 228 D N 3.033 123.546 120.400 0.189 0.000 2.469 228 D HA 0.248 4.887 4.640 -0.000 0.000 0.251 228 D C 1.118 177.484 176.300 0.110 0.000 1.173 228 D CA -0.186 53.904 54.000 0.151 0.000 0.882 228 D CB 2.041 42.912 40.800 0.119 0.000 1.129 228 D HN 0.433 nan 8.370 nan 0.000 0.549 229 S N 1.518 117.269 115.700 0.086 0.000 2.547 229 S HA 0.018 4.488 4.470 -0.000 0.000 0.235 229 S C 1.755 176.385 174.600 0.049 0.000 0.980 229 S CA 0.504 58.745 58.200 0.069 0.000 0.941 229 S CB 0.090 63.302 63.200 0.019 0.000 0.763 229 S HN 0.447 nan 8.310 nan 0.000 0.532 230 G N 0.327 109.135 108.800 0.013 0.000 2.838 230 G HA2 0.220 4.180 3.960 -0.000 0.000 0.210 230 G HA3 0.220 4.180 3.960 -0.000 0.000 0.210 230 G C 0.275 175.161 174.900 -0.025 0.000 1.153 230 G CA -0.007 45.065 45.100 -0.047 0.000 0.778 230 G HN 0.473 nan 8.290 nan 0.000 0.539 231 T N 0.596 115.162 114.554 0.020 0.000 2.829 231 T HA 0.376 4.726 4.350 -0.000 0.000 0.282 231 T C 1.402 176.121 174.700 0.033 0.000 0.990 231 T CA -0.274 61.838 62.100 0.020 0.000 1.028 231 T CB 1.866 70.750 68.868 0.026 0.000 0.951 231 T HN -0.022 nan 8.240 nan 0.000 0.460 232 T N 3.230 117.796 114.554 0.020 0.000 2.732 232 T HA -0.013 4.337 4.350 -0.000 0.000 0.261 232 T C 1.042 175.760 174.700 0.030 0.000 1.040 232 T CA 1.043 63.159 62.100 0.027 0.000 1.145 232 T CB -0.145 68.728 68.868 0.010 0.000 0.866 232 T HN 0.534 nan 8.240 nan 0.000 0.427 233 N N 0.900 119.605 118.700 0.008 0.000 2.364 233 N HA 0.322 5.062 4.740 -0.000 0.000 0.264 233 N C -0.859 174.654 175.510 0.004 0.000 1.263 233 N CA -0.586 52.459 53.050 -0.008 0.000 0.959 233 N CB 0.662 39.124 38.487 -0.042 0.000 1.204 233 N HN 0.105 nan 8.380 nan 0.000 0.550 234 L N 1.802 123.016 121.223 -0.014 0.000 2.264 234 L HA 0.323 4.663 4.340 -0.000 0.000 0.287 234 L C -0.668 176.196 176.870 -0.010 0.000 1.039 234 L CA -0.417 54.423 54.840 0.001 0.000 0.829 234 L CB 0.056 42.112 42.059 -0.005 0.000 1.211 234 L HN 0.467 nan 8.230 nan 0.000 0.427 235 R N 6.280 126.776 120.500 -0.007 0.000 2.265 235 R HA 0.581 4.921 4.340 -0.000 0.000 0.319 235 R C -1.039 175.269 176.300 0.014 0.000 1.006 235 R CA -0.667 55.420 56.100 -0.021 0.000 0.880 235 R CB 1.649 31.922 30.300 -0.044 0.000 1.077 235 R HN 0.598 nan 8.270 nan 0.000 0.454 236 L N 3.978 125.236 121.223 0.059 0.000 2.342 236 L HA 0.491 4.831 4.340 -0.000 0.000 0.271 236 L C -2.313 174.635 176.870 0.130 0.000 1.008 236 L CA -2.743 52.171 54.840 0.123 0.000 0.818 236 L CB 2.069 44.256 42.059 0.215 0.000 1.296 236 L HN 0.223 nan 8.230 nan 0.000 0.427 237 P HA 0.012 nan 4.420 nan 0.000 0.268 237 P C 0.299 177.712 177.300 0.189 0.000 1.204 237 P CA -0.096 63.097 63.100 0.156 0.000 0.768 237 P CB 0.778 32.604 31.700 0.211 0.000 0.842 238 K N 4.449 124.948 120.400 0.165 0.000 2.031 238 K HA -0.342 3.978 4.320 -0.000 0.000 0.228 238 K C 1.523 178.234 176.600 0.185 0.000 1.050 238 K CA 2.380 58.779 56.287 0.186 0.000 0.980 238 K CB -0.306 32.270 32.500 0.126 0.000 0.738 238 K HN 0.248 nan 8.250 nan 0.000 0.451 239 K N -0.241 120.221 120.400 0.103 0.000 2.059 239 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 239 K C 2.070 178.718 176.600 0.080 0.000 1.050 239 K CA 2.107 58.426 56.287 0.054 0.000 0.927 239 K CB -0.185 32.305 32.500 -0.017 0.000 0.714 239 K HN 0.114 nan 8.250 nan 0.000 0.447 240 V N 0.675 120.668 119.914 0.131 0.000 2.323 240 V HA -0.212 3.908 4.120 -0.000 0.000 0.244 240 V C 1.927 178.108 176.094 0.145 0.000 1.041 240 V CA 1.547 63.946 62.300 0.166 0.000 1.025 240 V CB -0.545 31.426 31.823 0.248 0.000 0.656 240 V HN 0.231 nan 8.190 nan 0.000 0.451 241 F N 1.734 121.725 119.950 0.068 0.000 2.091 241 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 241 F C 2.490 178.326 175.800 0.060 0.000 1.103 241 F CA 2.006 60.047 58.000 0.068 0.000 1.228 241 F CB -0.344 38.699 39.000 0.071 0.000 0.984 241 F HN 0.187 nan 8.300 nan 0.000 0.477 242 E N 0.704 120.863 120.200 -0.068 0.000 2.038 242 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 242 E C 2.462 178.948 176.600 -0.191 0.000 1.000 242 E CA 1.459 57.767 56.400 -0.154 0.000 0.803 242 E CB -1.149 28.542 29.700 -0.015 0.000 0.750 242 E HN 0.505 nan 8.360 nan 0.000 0.448 243 A N 1.691 124.453 122.820 -0.096 0.000 1.933 243 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 243 A C 2.456 179.974 177.584 -0.110 0.000 1.175 243 A CA 2.048 54.038 52.037 -0.078 0.000 0.628 243 A CB -0.599 18.394 19.000 -0.011 0.000 0.814 243 A HN 0.281 nan 8.150 nan 0.000 0.444 244 A N -0.395 122.351 122.820 -0.123 0.000 1.851 244 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 244 A C 2.229 179.707 177.584 -0.177 0.000 1.195 244 A CA 1.988 53.954 52.037 -0.118 0.000 0.622 244 A CB -1.178 17.771 19.000 -0.086 0.000 0.831 244 A HN 0.449 nan 8.150 nan 0.000 0.444 245 V N 0.512 120.215 119.914 -0.352 0.000 2.332 245 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 245 V C 2.573 178.389 176.094 -0.464 0.000 1.055 245 V CA 2.489 64.532 62.300 -0.428 0.000 1.038 245 V CB -0.755 30.691 31.823 -0.629 0.000 0.651 245 V HN 0.718 nan 8.190 nan 0.000 0.450 246 K N -0.045 120.145 120.400 -0.350 0.000 2.063 246 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 246 K C 2.450 178.926 176.600 -0.206 0.000 1.048 246 K CA 1.895 58.014 56.287 -0.279 0.000 0.928 246 K CB -0.282 32.106 32.500 -0.185 0.000 0.713 246 K HN 0.433 nan 8.250 nan 0.000 0.442 247 S N 0.238 115.851 115.700 -0.145 0.000 2.387 247 S HA -0.031 4.439 4.470 -0.000 0.000 0.226 247 S C 1.912 176.492 174.600 -0.033 0.000 1.026 247 S CA 0.771 58.928 58.200 -0.072 0.000 0.972 247 S CB -0.206 62.970 63.200 -0.040 0.000 0.814 247 S HN 0.354 nan 8.310 nan 0.000 0.477 248 I N 1.248 121.799 120.570 -0.032 0.000 2.179 248 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 248 I C 2.649 178.835 176.117 0.115 0.000 1.088 248 I CA 1.289 62.666 61.300 0.129 0.000 1.357 248 I CB -0.350 37.815 38.000 0.275 0.000 1.051 248 I HN 0.278 nan 8.210 nan 0.000 0.409 249 K N 0.950 121.193 120.400 -0.262 0.000 2.020 249 K HA -0.234 4.085 4.320 -0.000 0.000 0.212 249 K C 2.290 178.886 176.600 -0.005 0.000 1.050 249 K CA 1.812 57.950 56.287 -0.249 0.000 0.929 249 K CB -0.381 31.778 32.500 -0.567 0.000 0.714 249 K HN 0.336 nan 8.250 nan 0.000 0.443 250 A N 1.455 124.241 122.820 -0.057 0.000 1.873 250 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 250 A C 2.387 179.988 177.584 0.028 0.000 1.193 250 A CA 2.306 54.333 52.037 -0.017 0.000 0.629 250 A CB -0.983 17.997 19.000 -0.033 0.000 0.826 250 A HN 0.406 nan 8.150 nan 0.000 0.447 251 A N -0.104 122.753 122.820 0.061 0.000 1.978 251 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 251 A C 2.134 179.760 177.584 0.070 0.000 1.170 251 A CA 2.087 54.170 52.037 0.077 0.000 0.636 251 A CB -0.767 18.305 19.000 0.121 0.000 0.810 251 A HN 1.130 nan 8.150 nan 0.000 0.448 252 S N -0.030 115.743 115.700 0.121 0.000 2.622 252 S HA 0.126 4.596 4.470 -0.000 0.000 0.236 252 S C 1.345 175.988 174.600 0.072 0.000 0.956 252 S CA 0.543 58.775 58.200 0.054 0.000 0.971 252 S CB -0.411 62.872 63.200 0.139 0.000 0.782 252 S HN 0.725 nan 8.310 nan 0.000 0.468 253 S N 2.252 117.976 115.700 0.040 0.000 2.400 253 S HA -0.212 4.258 4.470 -0.000 0.000 0.232 253 S C 2.024 176.597 174.600 -0.045 0.000 1.025 253 S CA 1.622 59.825 58.200 0.005 0.000 0.993 253 S CB -1.812 61.385 63.200 -0.006 0.000 0.808 253 S HN 0.805 nan 8.310 nan 0.000 0.478 254 T N -0.773 113.747 114.554 -0.058 0.000 2.969 254 T HA 0.003 4.353 4.350 -0.000 0.000 0.271 254 T C 0.427 175.062 174.700 -0.108 0.000 1.127 254 T CA 0.916 62.972 62.100 -0.073 0.000 1.102 254 T CB -0.438 68.389 68.868 -0.069 0.000 0.855 254 T HN 0.621 nan 8.240 nan 0.000 0.536 255 E N 0.112 120.212 120.200 -0.166 0.000 2.314 255 E HA 0.460 4.809 4.350 -0.000 0.000 0.272 255 E C -0.998 175.249 176.600 -0.588 0.000 0.884 255 E CA -1.067 55.142 56.400 -0.318 0.000 0.753 255 E CB 1.455 30.997 29.700 -0.264 0.000 1.213 255 E HN -0.009 nan 8.360 nan 0.000 0.432 256 K N 2.148 122.188 120.400 -0.600 0.000 2.164 256 K HA 0.535 4.855 4.320 -0.000 0.000 0.258 256 K C -0.874 175.276 176.600 -0.751 0.000 0.951 256 K CA -0.440 55.536 56.287 -0.518 0.000 0.844 256 K CB 0.860 33.245 32.500 -0.192 0.000 1.099 256 K HN 0.345 nan 8.250 nan 0.000 0.435 257 F N 2.069 122.094 119.950 0.125 0.000 2.563 257 F HA 0.389 4.916 4.527 -0.000 0.000 0.316 257 F C -1.702 174.190 175.800 0.154 0.000 1.076 257 F CA -2.216 55.785 58.000 0.001 0.000 0.921 257 F CB 1.194 40.018 39.000 -0.294 0.000 1.209 257 F HN 0.321 nan 8.300 nan 0.000 0.462 258 P HA 0.054 nan 4.420 nan 0.000 0.268 258 P C -0.044 177.466 177.300 0.350 0.000 1.205 258 P CA -0.048 63.194 63.100 0.237 0.000 0.771 258 P CB 1.023 32.813 31.700 0.149 0.000 0.858 259 D N 2.884 123.472 120.400 0.313 0.000 2.172 259 D HA -0.167 4.473 4.640 -0.000 0.000 0.196 259 D C 2.119 178.602 176.300 0.304 0.000 0.999 259 D CA 2.051 56.258 54.000 0.346 0.000 0.856 259 D CB -0.805 40.124 40.800 0.214 0.000 0.934 259 D HN 0.651 nan 8.370 nan 0.000 0.453 260 G N 0.066 108.998 108.800 0.219 0.000 2.462 260 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 260 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 260 G C 1.403 176.394 174.900 0.152 0.000 1.121 260 G CA 0.403 45.603 45.100 0.167 0.000 0.758 260 G HN 0.293 nan 8.290 nan 0.000 0.559 261 F N 0.319 120.278 119.950 0.015 0.000 2.113 261 F HA 0.024 4.551 4.527 -0.000 0.000 0.297 261 F C 2.058 177.743 175.800 -0.191 0.000 1.103 261 F CA 0.882 58.792 58.000 -0.150 0.000 1.248 261 F CB -0.345 38.452 39.000 -0.340 0.000 0.999 261 F HN 0.201 nan 8.300 nan 0.000 0.475 262 W N 0.571 121.714 121.300 -0.262 0.000 2.848 262 W HA 0.047 4.707 4.660 -0.000 0.000 0.241 262 W C 1.576 178.077 176.519 -0.029 0.000 1.289 262 W CA 0.285 57.376 57.345 -0.423 0.000 1.396 262 W CB -0.266 29.077 29.460 -0.195 0.000 1.138 262 W HN 0.058 nan 8.180 nan 0.000 0.677 263 L N -0.423 120.901 121.223 0.169 0.000 2.590 263 L HA 0.333 4.673 4.340 -0.000 0.000 0.227 263 L C 1.913 178.850 176.870 0.111 0.000 1.099 263 L CA 0.666 55.620 54.840 0.191 0.000 0.872 263 L CB -0.398 41.754 42.059 0.156 0.000 1.088 263 L HN 0.166 nan 8.230 nan 0.000 0.479 264 G N 0.454 109.275 108.800 0.036 0.000 2.143 264 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.249 264 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.249 264 G C 0.707 175.626 174.900 0.031 0.000 0.981 264 G CA 0.606 45.719 45.100 0.021 0.000 0.665 264 G HN 0.434 nan 8.290 nan 0.000 0.528 265 E N -0.183 120.044 120.200 0.045 0.000 2.075 265 E HA 0.060 4.410 4.350 -0.000 0.000 0.190 265 E C 1.431 178.067 176.600 0.060 0.000 0.969 265 E CA 1.156 57.589 56.400 0.054 0.000 0.815 265 E CB 0.020 29.759 29.700 0.065 0.000 0.776 265 E HN 0.839 nan 8.360 nan 0.000 0.457 266 Q N 1.190 121.039 119.800 0.081 0.000 2.348 266 Q HA 0.532 4.872 4.340 -0.000 0.000 0.271 266 Q C -0.352 175.733 176.000 0.140 0.000 1.067 266 Q CA -0.748 55.109 55.803 0.091 0.000 0.839 266 Q CB 1.890 30.681 28.738 0.088 0.000 1.354 266 Q HN 0.082 nan 8.270 nan 0.000 0.447 267 L N -1.077 120.210 121.223 0.106 0.000 2.387 267 L HA 0.837 5.176 4.340 -0.000 0.000 0.266 267 L C -0.656 176.231 176.870 0.029 0.000 1.059 267 L CA -1.227 53.692 54.840 0.132 0.000 0.801 267 L CB 1.229 43.326 42.059 0.064 0.000 1.223 267 L HN 0.418 nan 8.230 nan 0.000 0.456 268 V N 0.328 120.201 119.914 -0.070 0.000 2.581 268 V HA 0.517 4.637 4.120 -0.000 0.000 0.303 268 V C -0.195 175.618 176.094 -0.468 0.000 1.041 268 V CA -0.255 61.786 62.300 -0.432 0.000 0.907 268 V CB 1.701 32.973 31.823 -0.918 0.000 0.994 268 V HN 1.012 nan 8.190 nan 0.000 0.442 269 C N 3.175 122.112 119.300 -0.606 0.000 2.779 269 C HA 0.742 5.202 4.460 -0.000 0.000 0.314 269 C C -0.986 173.656 174.990 -0.579 0.000 1.231 269 C CA -1.014 57.760 59.018 -0.406 0.000 1.652 269 C CB 1.879 29.508 27.740 -0.186 0.000 2.198 269 C HN 0.872 nan 8.230 nan 0.000 0.483 270 W N 0.622 121.948 121.300 0.043 0.000 3.107 270 W HA 0.356 5.016 4.660 -0.000 0.000 0.331 270 W C -0.696 175.838 176.519 0.024 0.000 1.204 270 W CA -0.467 56.897 57.345 0.031 0.000 1.184 270 W CB 1.134 30.610 29.460 0.026 0.000 1.421 270 W HN 0.673 nan 8.180 nan 0.000 0.544 271 Q N 1.212 121.157 119.800 0.242 0.000 2.428 271 Q HA 0.239 4.579 4.340 -0.000 0.000 0.276 271 Q C 0.494 176.582 176.000 0.146 0.000 1.059 271 Q CA 0.157 56.044 55.803 0.141 0.000 0.923 271 Q CB 0.289 29.091 28.738 0.106 0.000 1.283 271 Q HN 0.427 nan 8.270 nan 0.000 0.447 272 A N 1.009 123.888 122.820 0.099 0.000 2.603 272 A HA 0.250 4.570 4.320 -0.000 0.000 0.235 272 A C 1.399 179.037 177.584 0.089 0.000 1.035 272 A CA 0.836 52.926 52.037 0.088 0.000 0.755 272 A CB -0.747 18.285 19.000 0.053 0.000 0.954 272 A HN 1.107 nan 8.150 nan 0.000 0.511 273 G N 1.497 110.357 108.800 0.100 0.000 2.216 273 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.269 273 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.269 273 G C 0.826 175.773 174.900 0.078 0.000 0.981 273 G CA 1.800 46.956 45.100 0.093 0.000 0.658 273 G HN 2.260 nan 8.290 nan 0.000 0.539 274 T N -2.026 112.571 114.554 0.071 0.000 3.176 274 T HA 0.423 4.773 4.350 -0.000 0.000 0.263 274 T C 0.799 175.383 174.700 -0.194 0.000 1.021 274 T CA 0.726 62.825 62.100 -0.001 0.000 0.905 274 T CB 0.272 69.168 68.868 0.048 0.000 1.057 274 T HN 0.298 nan 8.240 nan 0.000 0.558 275 T N 6.030 120.418 114.554 -0.276 0.000 2.831 275 T HA 0.168 4.518 4.350 -0.000 0.000 0.291 275 T C -2.088 172.022 174.700 -0.982 0.000 0.981 275 T CA -0.625 60.937 62.100 -0.898 0.000 1.174 275 T CB 0.669 68.907 68.868 -1.050 0.000 0.929 275 T HN 0.261 nan 8.240 nan 0.000 0.532 276 P HA 0.110 nan 4.420 nan 0.000 0.230 276 P C 0.230 177.317 177.300 -0.355 0.000 1.791 276 P CA -0.384 62.377 63.100 -0.564 0.000 1.020 276 P CB -0.257 31.143 31.700 -0.499 0.000 1.977 277 W N 2.345 123.585 121.300 -0.099 0.000 2.325 277 W HA -0.275 4.385 4.660 -0.000 0.000 0.299 277 W C 2.097 178.682 176.519 0.109 0.000 1.215 277 W CA 1.606 58.967 57.345 0.026 0.000 1.244 277 W CB -1.370 28.084 29.460 -0.010 0.000 1.140 277 W HN 0.316 nan 8.180 nan 0.000 0.523 278 N N 1.452 120.299 118.700 0.244 0.000 2.453 278 N HA -0.175 4.565 4.740 -0.000 0.000 0.183 278 N C 1.389 176.942 175.510 0.073 0.000 1.041 278 N CA 1.844 54.983 53.050 0.148 0.000 0.900 278 N CB -1.019 37.502 38.487 0.055 0.000 0.961 278 N HN 0.420 nan 8.380 nan 0.000 0.443 279 I N -4.139 116.415 120.570 -0.027 0.000 3.059 279 I HA 0.230 4.400 4.170 -0.000 0.000 0.270 279 I C -0.393 175.648 176.117 -0.127 0.000 1.238 279 I CA -0.120 61.095 61.300 -0.142 0.000 1.478 279 I CB -0.234 37.585 38.000 -0.302 0.000 1.097 279 I HN -0.179 nan 8.210 nan 0.000 0.455 280 F N 3.969 124.025 119.950 0.177 0.000 2.384 280 F HA 0.506 5.033 4.527 -0.000 0.000 0.338 280 F C -1.966 174.004 175.800 0.283 0.000 1.103 280 F CA -2.751 55.421 58.000 0.286 0.000 1.157 280 F CB 0.283 39.472 39.000 0.316 0.000 1.167 280 F HN -0.115 nan 8.300 nan 0.000 0.529 281 P HA 0.239 nan 4.420 nan 0.000 0.279 281 P C -0.763 176.777 177.300 0.400 0.000 1.252 281 P CA -0.301 63.011 63.100 0.352 0.000 0.811 281 P CB 1.667 33.528 31.700 0.267 0.000 1.035 282 V N -0.271 119.804 119.914 0.268 0.000 3.083 282 V HA 0.512 4.632 4.120 -0.000 0.000 0.306 282 V C 0.229 176.447 176.094 0.207 0.000 1.077 282 V CA -0.571 61.877 62.300 0.247 0.000 1.073 282 V CB 0.298 32.211 31.823 0.150 0.000 1.081 282 V HN 0.333 nan 8.190 nan 0.000 0.474 283 I N 1.511 122.190 120.570 0.181 0.000 2.533 283 I HA 0.502 4.672 4.170 -0.000 0.000 0.290 283 I C -0.280 175.852 176.117 0.025 0.000 1.056 283 I CA -0.156 61.195 61.300 0.084 0.000 1.057 283 I CB 2.224 40.257 38.000 0.056 0.000 1.240 283 I HN 0.713 nan 8.210 nan 0.000 0.423 284 S N 6.594 122.268 115.700 -0.043 0.000 2.500 284 S HA 0.678 5.148 4.470 -0.000 0.000 0.301 284 S C -0.619 173.864 174.600 -0.195 0.000 1.092 284 S CA -0.630 57.483 58.200 -0.146 0.000 1.030 284 S CB 1.614 64.690 63.200 -0.207 0.000 1.031 284 S HN 0.334 nan 8.310 nan 0.000 0.483 285 L N 3.256 124.297 121.223 -0.304 0.000 2.333 285 L HA 0.515 4.855 4.340 -0.000 0.000 0.280 285 L C -1.403 175.197 176.870 -0.449 0.000 1.004 285 L CA -0.779 53.875 54.840 -0.311 0.000 0.820 285 L CB 0.999 42.868 42.059 -0.316 0.000 1.247 285 L HN 0.624 nan 8.230 nan 0.000 0.416 286 Y N 3.675 123.731 120.300 -0.407 0.000 2.320 286 Y HA 0.528 5.078 4.550 -0.000 0.000 0.334 286 Y C 0.093 175.715 175.900 -0.463 0.000 1.055 286 Y CA -0.196 57.641 58.100 -0.439 0.000 1.143 286 Y CB 1.363 39.610 38.460 -0.355 0.000 1.193 286 Y HN 0.364 nan 8.280 nan 0.000 0.477 287 L N 3.771 124.645 121.223 -0.582 0.000 2.333 287 L HA 0.503 4.843 4.340 -0.000 0.000 0.269 287 L C -0.142 176.497 176.870 -0.385 0.000 1.010 287 L CA -1.134 53.373 54.840 -0.555 0.000 0.818 287 L CB 1.863 43.399 42.059 -0.873 0.000 1.306 287 L HN 0.589 nan 8.230 nan 0.000 0.430 288 M N 1.189 120.707 119.600 -0.136 0.000 2.238 288 M HA 0.235 4.715 4.480 -0.000 0.000 0.350 288 M C 0.461 176.837 176.300 0.127 0.000 1.321 288 M CA 0.190 55.501 55.300 0.017 0.000 1.097 288 M CB 0.748 33.387 32.600 0.065 0.000 1.713 288 M HN 0.719 nan 8.290 nan 0.000 0.455 289 G N 3.335 112.282 108.800 0.245 0.000 2.543 289 G HA2 0.210 4.170 3.960 -0.000 0.000 0.290 289 G HA3 0.210 4.170 3.960 -0.000 0.000 0.290 289 G C 0.067 175.151 174.900 0.307 0.000 1.310 289 G CA -0.370 44.997 45.100 0.446 0.000 1.025 289 G HN 0.902 nan 8.290 nan 0.000 0.502 290 E N -1.517 118.859 120.200 0.293 0.000 2.086 290 E HA 0.011 4.361 4.350 -0.000 0.000 0.190 290 E C 0.879 177.559 176.600 0.133 0.000 0.975 290 E CA 0.085 56.592 56.400 0.179 0.000 0.813 290 E CB 0.146 29.924 29.700 0.130 0.000 0.768 290 E HN 0.127 nan 8.360 nan 0.000 0.457 291 V N 2.783 122.783 119.914 0.144 0.000 2.811 291 V HA -0.028 4.092 4.120 -0.000 0.000 0.302 291 V C 0.630 176.793 176.094 0.115 0.000 1.063 291 V CA -0.045 62.321 62.300 0.109 0.000 1.088 291 V CB 1.087 32.977 31.823 0.112 0.000 0.982 291 V HN 0.325 nan 8.190 nan 0.000 0.485 292 T N 2.215 116.820 114.554 0.085 0.000 2.916 292 T HA 0.113 4.463 4.350 -0.000 0.000 0.303 292 T C 0.680 175.430 174.700 0.083 0.000 1.025 292 T CA -0.212 61.935 62.100 0.078 0.000 1.142 292 T CB 0.097 68.999 68.868 0.056 0.000 0.947 292 T HN 0.773 nan 8.240 nan 0.000 0.544 293 N N 0.492 119.242 118.700 0.083 0.000 2.714 293 N HA -0.188 4.552 4.740 -0.000 0.000 0.250 293 N C -0.303 175.271 175.510 0.106 0.000 1.117 293 N CA 1.110 54.209 53.050 0.081 0.000 0.719 293 N CB -0.808 37.716 38.487 0.063 0.000 1.081 293 N HN 0.954 nan 8.380 nan 0.000 0.557 294 Q N 0.598 120.480 119.800 0.137 0.000 2.292 294 Q HA 0.485 4.825 4.340 -0.000 0.000 0.270 294 Q C -0.628 175.516 176.000 0.239 0.000 1.024 294 Q CA -0.442 55.470 55.803 0.181 0.000 0.768 294 Q CB 1.418 30.268 28.738 0.188 0.000 1.250 294 Q HN 0.299 nan 8.270 nan 0.000 0.447 295 S N 2.658 118.519 115.700 0.269 0.000 2.751 295 S HA 0.894 5.364 4.470 -0.000 0.000 0.310 295 S C -0.664 174.173 174.600 0.394 0.000 1.128 295 S CA -0.652 57.720 58.200 0.287 0.000 0.931 295 S CB 1.233 64.544 63.200 0.186 0.000 1.177 295 S HN 0.579 nan 8.310 nan 0.000 0.530 296 F N -1.528 118.504 119.950 0.136 0.000 2.715 296 F HA 0.863 5.390 4.527 -0.000 0.000 0.318 296 F C -0.811 174.857 175.800 -0.220 0.000 1.141 296 F CA -1.319 56.633 58.000 -0.080 0.000 0.950 296 F CB 1.324 39.951 39.000 -0.622 0.000 1.374 296 F HN 0.950 nan 8.300 nan 0.000 0.477 297 R N 1.905 122.248 120.500 -0.262 0.000 2.744 297 R HA 0.824 5.163 4.340 -0.000 0.000 0.279 297 R C -1.608 174.423 176.300 -0.448 0.000 0.977 297 R CA -0.943 54.726 56.100 -0.718 0.000 0.906 297 R CB 2.521 31.961 30.300 -1.434 0.000 1.197 297 R HN 0.999 nan 8.270 nan 0.000 0.463 298 I N -0.497 119.743 120.570 -0.550 0.000 2.404 298 I HA 0.509 4.679 4.170 -0.000 0.000 0.293 298 I C -1.082 174.908 176.117 -0.211 0.000 0.992 298 I CA -0.706 60.288 61.300 -0.510 0.000 1.149 298 I CB 2.426 39.755 38.000 -1.119 0.000 1.315 298 I HN 0.510 nan 8.210 nan 0.000 0.446 299 T N 7.594 122.191 114.554 0.071 0.000 2.792 299 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 299 T C -0.069 174.760 174.700 0.216 0.000 0.990 299 T CA -0.437 61.722 62.100 0.097 0.000 0.960 299 T CB 1.448 70.327 68.868 0.018 0.000 0.939 299 T HN 0.644 nan 8.240 nan 0.000 0.439 300 I N 0.742 121.417 120.570 0.175 0.000 2.863 300 I HA 0.746 4.915 4.170 -0.000 0.000 0.311 300 I C -0.865 175.323 176.117 0.118 0.000 1.026 300 I CA -1.403 59.960 61.300 0.105 0.000 1.077 300 I CB 1.232 39.321 38.000 0.148 0.000 1.262 300 I HN 0.408 nan 8.210 nan 0.000 0.461 301 L N 2.303 123.542 121.223 0.027 0.000 2.331 301 L HA 0.543 4.883 4.340 -0.000 0.000 0.268 301 L C -1.592 175.130 176.870 -0.246 0.000 1.015 301 L CA -1.717 53.119 54.840 -0.007 0.000 0.807 301 L CB 1.288 43.313 42.059 -0.057 0.000 1.293 301 L HN 0.431 nan 8.230 nan 0.000 0.451 302 P HA -0.136 nan 4.420 nan 0.000 0.225 302 P C 0.860 177.830 177.300 -0.550 0.000 1.148 302 P CA 1.029 63.514 63.100 -1.025 0.000 0.779 302 P CB 0.339 31.877 31.700 -0.270 0.000 0.780 303 Q N -0.457 119.015 119.800 -0.546 0.000 2.291 303 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 303 Q C 2.213 178.031 176.000 -0.302 0.000 0.976 303 Q CA 1.472 56.860 55.803 -0.693 0.000 0.875 303 Q CB -0.421 27.857 28.738 -0.767 0.000 0.927 303 Q HN 0.266 nan 8.270 nan 0.000 0.450 304 Q N -1.609 118.039 119.800 -0.253 0.000 2.134 304 Q HA -0.034 4.306 4.340 -0.000 0.000 0.195 304 Q C 1.288 177.264 176.000 -0.040 0.000 0.958 304 Q CA 1.044 56.785 55.803 -0.102 0.000 0.840 304 Q CB -0.060 28.653 28.738 -0.041 0.000 0.918 304 Q HN 0.674 nan 8.270 nan 0.000 0.467 305 Y N -1.363 118.928 120.300 -0.015 0.000 2.490 305 Y HA 0.388 4.938 4.550 -0.000 0.000 0.281 305 Y C -0.222 175.635 175.900 -0.070 0.000 1.174 305 Y CA -0.246 57.810 58.100 -0.074 0.000 1.295 305 Y CB -0.158 38.223 38.460 -0.132 0.000 1.062 305 Y HN -0.161 nan 8.280 nan 0.000 0.522 306 L N 3.762 124.948 121.223 -0.060 0.000 2.295 306 L HA 0.449 4.789 4.340 -0.000 0.000 0.281 306 L C -0.340 176.667 176.870 0.229 0.000 1.018 306 L CA -0.753 54.133 54.840 0.077 0.000 0.841 306 L CB 0.845 42.817 42.059 -0.145 0.000 1.218 306 L HN 0.052 nan 8.230 nan 0.000 0.424 307 R N 4.205 124.857 120.500 0.254 0.000 2.390 307 R HA 0.368 4.708 4.340 -0.000 0.000 0.291 307 R C -2.440 174.070 176.300 0.351 0.000 1.070 307 R CA -1.825 54.425 56.100 0.250 0.000 1.014 307 R CB 0.853 31.227 30.300 0.124 0.000 1.007 307 R HN 0.289 nan 8.270 nan 0.000 0.466 308 P HA 0.107 nan 4.420 nan 0.000 0.286 308 P C -0.376 176.895 177.300 -0.049 0.000 1.269 308 P CA -0.302 62.800 63.100 0.003 0.000 0.787 308 P CB 1.343 33.066 31.700 0.039 0.000 0.920 309 V N 0.175 120.021 119.914 -0.113 0.000 2.914 309 V HA 0.583 4.702 4.120 -0.000 0.000 0.314 309 V C -0.178 175.867 176.094 -0.081 0.000 1.084 309 V CA -1.346 60.916 62.300 -0.064 0.000 0.963 309 V CB 1.849 33.655 31.823 -0.029 0.000 1.025 309 V HN 0.323 nan 8.190 nan 0.000 0.432 310 E N 2.256 122.426 120.200 -0.050 0.000 2.373 310 E HA 0.132 4.482 4.350 -0.000 0.000 0.267 310 E C -0.086 176.491 176.600 -0.039 0.000 1.032 310 E CA 0.095 56.472 56.400 -0.038 0.000 0.889 310 E CB 0.694 30.381 29.700 -0.021 0.000 0.984 310 E HN 0.846 nan 8.360 nan 0.000 0.425 311 D N 3.752 124.130 120.400 -0.036 0.000 2.426 311 D HA -0.070 4.570 4.640 -0.000 0.000 0.261 311 D C 1.182 177.468 176.300 -0.022 0.000 1.245 311 D CA 0.178 54.158 54.000 -0.032 0.000 0.917 311 D CB 0.641 41.427 40.800 -0.023 0.000 1.123 311 D HN 0.385 nan 8.370 nan 0.000 0.508 312 V N 2.838 122.739 119.914 -0.022 0.000 2.407 312 V HA -0.037 4.083 4.120 -0.000 0.000 0.248 312 V C 1.131 177.218 176.094 -0.012 0.000 1.055 312 V CA 1.208 63.499 62.300 -0.015 0.000 1.049 312 V CB -1.034 30.782 31.823 -0.012 0.000 0.662 312 V HN 0.543 nan 8.190 nan 0.000 0.455 313 A N 1.339 124.150 122.820 -0.015 0.000 2.257 313 A HA 0.576 4.896 4.320 -0.000 0.000 0.289 313 A C 0.725 178.304 177.584 -0.010 0.000 1.095 313 A CA 0.323 52.352 52.037 -0.013 0.000 0.836 313 A CB 0.143 19.133 19.000 -0.016 0.000 1.111 313 A HN 0.721 nan 8.150 nan 0.000 0.497 314 T N 0.041 114.591 114.554 -0.007 0.000 2.775 314 T HA 0.525 4.875 4.350 -0.000 0.000 0.287 314 T C 0.086 174.784 174.700 -0.002 0.000 0.909 314 T CA 0.280 62.378 62.100 -0.004 0.000 1.081 314 T CB -0.984 67.883 68.868 -0.002 0.000 0.891 314 T HN 1.723 nan 8.240 nan 0.000 0.544 315 S N 2.352 118.052 115.700 -0.001 0.000 2.663 315 S HA 0.280 4.750 4.470 -0.000 0.000 0.264 315 S C -0.463 174.142 174.600 0.007 0.000 1.112 315 S CA -1.089 57.113 58.200 0.003 0.000 0.823 315 S CB 1.060 64.261 63.200 0.002 0.000 1.111 315 S HN 0.421 nan 8.310 nan 0.000 0.476 316 Q N 0.518 120.326 119.800 0.013 0.000 2.201 316 Q HA 0.329 4.669 4.340 -0.000 0.000 0.217 316 Q C -0.901 175.118 176.000 0.031 0.000 0.860 316 Q CA -0.043 55.771 55.803 0.019 0.000 0.984 316 Q CB -0.266 28.483 28.738 0.018 0.000 1.095 316 Q HN 0.574 nan 8.270 nan 0.000 0.477 317 D N 1.486 121.903 120.400 0.028 0.000 2.368 317 D HA 0.083 4.723 4.640 -0.000 0.000 0.240 317 D C -0.438 175.886 176.300 0.041 0.000 1.169 317 D CA 0.430 54.457 54.000 0.045 0.000 0.906 317 D CB 0.678 41.490 40.800 0.021 0.000 1.187 317 D HN -0.129 nan 8.370 nan 0.000 0.435 318 D N 0.529 120.982 120.400 0.089 0.000 2.381 318 D HA 0.286 4.926 4.640 -0.000 0.000 0.235 318 D C -0.648 175.621 176.300 -0.052 0.000 1.068 318 D CA -0.282 53.740 54.000 0.036 0.000 0.832 318 D CB 0.646 41.571 40.800 0.209 0.000 1.101 318 D HN 0.192 nan 8.370 nan 0.000 0.515 319 C N 2.625 121.739 119.300 -0.311 0.000 2.454 319 C HA 0.723 5.183 4.460 -0.000 0.000 0.336 319 C C -0.598 174.048 174.990 -0.573 0.000 1.189 319 C CA -0.779 58.069 59.018 -0.282 0.000 1.877 319 C CB 0.061 27.716 27.740 -0.141 0.000 2.348 319 C HN 0.536 nan 8.230 nan 0.000 0.508 320 Y N -0.425 119.931 120.300 0.093 0.000 2.625 320 Y HA 0.572 5.122 4.550 -0.000 0.000 0.338 320 Y C -0.078 175.919 175.900 0.163 0.000 1.123 320 Y CA -1.037 57.146 58.100 0.138 0.000 1.046 320 Y CB 1.240 39.813 38.460 0.189 0.000 1.299 320 Y HN 0.435 nan 8.280 nan 0.000 0.464 321 K N 0.991 121.583 120.400 0.320 0.000 2.316 321 K HA 0.396 4.716 4.320 -0.000 0.000 0.251 321 K C -1.575 175.128 176.600 0.172 0.000 0.934 321 K CA -0.957 55.455 56.287 0.208 0.000 0.802 321 K CB 2.231 34.795 32.500 0.106 0.000 1.171 321 K HN 0.538 nan 8.250 nan 0.000 0.426 322 F N 1.739 121.521 119.950 -0.280 0.000 2.506 322 F HA 0.159 4.686 4.527 -0.000 0.000 0.371 322 F C 0.450 176.199 175.800 -0.085 0.000 1.078 322 F CA -0.260 57.544 58.000 -0.326 0.000 1.195 322 F CB 0.690 39.190 39.000 -0.833 0.000 1.099 322 F HN 0.618 nan 8.300 nan 0.000 0.548 323 A N 7.897 130.547 122.820 -0.283 0.000 2.708 323 A HA 0.414 4.733 4.320 -0.000 0.000 0.293 323 A C -0.088 177.314 177.584 -0.305 0.000 1.303 323 A CA -0.265 51.655 52.037 -0.194 0.000 0.949 323 A CB -0.908 18.061 19.000 -0.050 0.000 1.121 323 A HN 0.598 nan 8.150 nan 0.000 0.542 324 I N 1.722 121.916 120.570 -0.627 0.000 2.382 324 I HA 0.340 4.510 4.170 -0.000 0.000 0.286 324 I C -0.029 176.105 176.117 0.028 0.000 1.002 324 I CA -0.263 60.820 61.300 -0.362 0.000 1.135 324 I CB 1.955 39.612 38.000 -0.572 0.000 1.288 324 I HN 0.358 nan 8.210 nan 0.000 0.448 325 S N 4.816 120.485 115.700 -0.052 0.000 2.740 325 S HA 0.633 5.103 4.470 -0.000 0.000 0.300 325 S C -0.799 173.393 174.600 -0.680 0.000 1.147 325 S CA -0.944 57.029 58.200 -0.379 0.000 0.871 325 S CB 1.945 65.010 63.200 -0.225 0.000 1.173 325 S HN 0.626 nan 8.310 nan 0.000 0.510 326 Q N -0.090 119.119 119.800 -0.984 0.000 2.193 326 Q HA 0.781 5.121 4.340 -0.000 0.000 0.246 326 Q C -0.650 175.206 176.000 -0.238 0.000 0.959 326 Q CA -0.735 54.718 55.803 -0.583 0.000 0.904 326 Q CB 1.493 29.892 28.738 -0.566 0.000 1.238 326 Q HN 0.660 nan 8.270 nan 0.000 0.469 327 S N -0.135 115.500 115.700 -0.109 0.000 2.540 327 S HA 0.337 4.807 4.470 -0.000 0.000 0.275 327 S C -0.206 174.376 174.600 -0.031 0.000 1.123 327 S CA -0.171 57.988 58.200 -0.068 0.000 0.907 327 S CB 1.724 64.886 63.200 -0.063 0.000 1.081 327 S HN 0.803 nan 8.310 nan 0.000 0.476 328 S N 1.367 117.045 115.700 -0.037 0.000 2.556 328 S HA 0.121 4.591 4.470 -0.000 0.000 0.216 328 S C 0.812 175.357 174.600 -0.092 0.000 0.970 328 S CA 0.555 58.741 58.200 -0.023 0.000 0.912 328 S CB -0.318 62.878 63.200 -0.006 0.000 0.790 328 S HN 1.017 nan 8.310 nan 0.000 0.504 329 T N -1.286 113.200 114.554 -0.113 0.000 3.393 329 T HA 0.614 4.964 4.350 -0.000 0.000 0.255 329 T C 0.765 175.343 174.700 -0.203 0.000 1.008 329 T CA 0.035 62.034 62.100 -0.169 0.000 1.053 329 T CB -0.250 68.538 68.868 -0.134 0.000 1.120 329 T HN 1.237 nan 8.240 nan 0.000 0.538 330 G N 1.331 110.008 108.800 -0.205 0.000 2.814 330 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.677 330 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.677 330 G C -0.294 174.555 174.900 -0.084 0.000 1.429 330 G CA -0.657 44.347 45.100 -0.161 0.000 0.868 330 G HN 0.635 nan 8.290 nan 0.000 0.553 331 T N -0.192 114.340 114.554 -0.036 0.000 2.930 331 T HA 0.435 4.785 4.350 -0.000 0.000 0.306 331 T C 0.492 175.169 174.700 -0.037 0.000 1.045 331 T CA 0.402 62.497 62.100 -0.009 0.000 1.134 331 T CB 1.244 70.126 68.868 0.023 0.000 0.961 331 T HN 1.215 nan 8.240 nan 0.000 0.545 332 V N 4.724 124.626 119.914 -0.020 0.000 2.419 332 V HA 0.273 4.392 4.120 -0.000 0.000 0.287 332 V C -0.076 176.032 176.094 0.024 0.000 1.017 332 V CA -0.634 61.658 62.300 -0.014 0.000 0.844 332 V CB 1.317 33.125 31.823 -0.026 0.000 1.011 332 V HN 0.889 nan 8.190 nan 0.000 0.429 333 M N 4.509 124.141 119.600 0.053 0.000 2.497 333 M HA 0.380 4.860 4.480 -0.000 0.000 0.336 333 M C 1.010 177.376 176.300 0.110 0.000 1.378 333 M CA 0.209 55.560 55.300 0.085 0.000 1.375 333 M CB 0.462 33.130 32.600 0.113 0.000 1.337 333 M HN 0.764 nan 8.290 nan 0.000 0.461 334 G N 1.027 109.880 108.800 0.088 0.000 2.574 334 G HA2 0.504 4.464 3.960 -0.000 0.000 0.248 334 G HA3 0.504 4.464 3.960 -0.000 0.000 0.248 334 G C 0.904 175.873 174.900 0.114 0.000 1.422 334 G CA 0.016 45.171 45.100 0.091 0.000 1.051 334 G HN 0.690 nan 8.290 nan 0.000 0.560 335 A N -1.392 121.497 122.820 0.115 0.000 1.986 335 A HA -0.039 4.281 4.320 -0.000 0.000 0.220 335 A C 2.515 180.171 177.584 0.121 0.000 1.171 335 A CA 2.074 54.197 52.037 0.144 0.000 0.640 335 A CB -0.743 18.374 19.000 0.195 0.000 0.811 335 A HN 0.494 nan 8.150 nan 0.000 0.451 336 V N 0.176 120.149 119.914 0.099 0.000 2.392 336 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 336 V C 2.377 178.540 176.094 0.115 0.000 1.059 336 V CA 1.847 64.202 62.300 0.092 0.000 1.051 336 V CB -0.538 31.331 31.823 0.076 0.000 0.658 336 V HN 0.535 nan 8.190 nan 0.000 0.455 337 I N -0.949 119.712 120.570 0.151 0.000 2.296 337 I HA -0.117 4.053 4.170 -0.000 0.000 0.242 337 I C 2.401 178.704 176.117 0.311 0.000 1.087 337 I CA 1.583 63.033 61.300 0.249 0.000 1.393 337 I CB -0.880 37.261 38.000 0.236 0.000 1.093 337 I HN 0.283 nan 8.210 nan 0.000 0.421 338 M N 0.198 119.941 119.600 0.238 0.000 2.149 338 M HA -0.222 4.258 4.480 -0.000 0.000 0.261 338 M C 1.778 178.128 176.300 0.083 0.000 1.064 338 M CA 1.629 57.048 55.300 0.198 0.000 1.102 338 M CB -0.613 32.062 32.600 0.125 0.000 1.369 338 M HN 0.217 nan 8.290 nan 0.000 0.408 339 E N -0.148 120.073 120.200 0.036 0.000 2.463 339 E HA -0.096 4.254 4.350 -0.000 0.000 0.201 339 E C 1.869 178.409 176.600 -0.099 0.000 1.045 339 E CA 0.628 57.014 56.400 -0.023 0.000 0.872 339 E CB -0.141 29.574 29.700 0.025 0.000 0.797 339 E HN 0.627 nan 8.360 nan 0.000 0.538 340 G N -0.173 108.476 108.800 -0.252 0.000 2.762 340 G HA2 0.109 4.069 3.960 -0.000 0.000 0.209 340 G HA3 0.109 4.069 3.960 -0.000 0.000 0.209 340 G C 0.244 174.504 174.900 -1.067 0.000 1.134 340 G CA -0.116 44.545 45.100 -0.731 0.000 0.781 340 G HN -0.003 nan 8.290 nan 0.000 0.528 341 F N -2.058 117.927 119.950 0.058 0.000 2.640 341 F HA 0.564 5.091 4.527 -0.000 0.000 0.324 341 F C -0.945 174.906 175.800 0.087 0.000 1.077 341 F CA -1.881 56.170 58.000 0.084 0.000 0.965 341 F CB 1.225 40.322 39.000 0.162 0.000 1.351 341 F HN -0.105 nan 8.300 nan 0.000 0.487 342 Y N 1.701 122.067 120.300 0.110 0.000 2.335 342 Y HA 0.669 5.219 4.550 -0.000 0.000 0.339 342 Y C -1.094 174.680 175.900 -0.211 0.000 0.987 342 Y CA -1.617 56.448 58.100 -0.058 0.000 1.140 342 Y CB 0.872 39.282 38.460 -0.082 0.000 1.173 342 Y HN 0.303 nan 8.280 nan 0.000 0.486 343 V N 7.447 127.036 119.914 -0.542 0.000 2.384 343 V HA 0.363 4.483 4.120 -0.000 0.000 0.287 343 V C -0.601 174.899 176.094 -0.991 0.000 1.020 343 V CA -1.034 60.743 62.300 -0.871 0.000 0.850 343 V CB 1.308 32.675 31.823 -0.760 0.000 0.987 343 V HN 0.567 nan 8.190 nan 0.000 0.436 344 V N 5.608 124.879 119.914 -1.071 0.000 2.383 344 V HA 0.400 4.520 4.120 -0.000 0.000 0.275 344 V C -0.378 175.182 176.094 -0.889 0.000 1.036 344 V CA -0.229 61.574 62.300 -0.828 0.000 0.889 344 V CB 1.073 32.539 31.823 -0.595 0.000 0.985 344 V HN 0.712 nan 8.190 nan 0.000 0.459 345 F N 2.975 122.425 119.950 -0.834 0.000 2.384 345 F HA 0.281 4.808 4.527 -0.000 0.000 0.359 345 F C 0.851 176.292 175.800 -0.598 0.000 1.143 345 F CA -0.427 56.998 58.000 -0.958 0.000 1.216 345 F CB 0.501 38.330 39.000 -1.952 0.000 1.512 345 F HN 0.430 nan 8.300 nan 0.000 0.573 346 D N 3.181 123.465 120.400 -0.193 0.000 2.508 346 D HA 0.090 4.729 4.640 -0.000 0.000 0.224 346 D C 1.363 177.705 176.300 0.071 0.000 1.171 346 D CA 0.119 54.094 54.000 -0.042 0.000 1.006 346 D CB 0.321 41.111 40.800 -0.017 0.000 1.073 346 D HN 0.480 nan 8.370 nan 0.000 0.513 347 R N 1.532 122.117 120.500 0.141 0.000 2.115 347 R HA -0.081 4.259 4.340 -0.000 0.000 0.230 347 R C 2.139 178.578 176.300 0.232 0.000 1.111 347 R CA 1.269 57.554 56.100 0.309 0.000 0.976 347 R CB 0.034 30.571 30.300 0.395 0.000 0.870 347 R HN 0.337 nan 8.270 nan 0.000 0.445 348 A N 1.570 124.489 122.820 0.165 0.000 1.851 348 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 348 A C 1.697 179.323 177.584 0.071 0.000 1.195 348 A CA 1.290 53.396 52.037 0.115 0.000 0.622 348 A CB -0.325 18.729 19.000 0.090 0.000 0.831 348 A HN 0.210 nan 8.150 nan 0.000 0.444 349 R N -0.582 119.937 120.500 0.032 0.000 2.423 349 R HA 0.149 4.489 4.340 -0.000 0.000 0.248 349 R C -0.096 176.216 176.300 0.020 0.000 1.019 349 R CA 0.256 56.351 56.100 -0.008 0.000 1.119 349 R CB -0.295 29.951 30.300 -0.090 0.000 1.176 349 R HN 0.551 nan 8.270 nan 0.000 0.526 350 K N 2.098 122.546 120.400 0.080 0.000 3.777 350 K HA -0.259 4.061 4.320 -0.000 0.000 0.276 350 K C -0.992 175.681 176.600 0.122 0.000 0.877 350 K CA 0.902 57.260 56.287 0.118 0.000 0.724 350 K CB -0.606 31.940 32.500 0.076 0.000 1.589 350 K HN 0.520 nan 8.250 nan 0.000 0.444 351 R N 0.247 120.824 120.500 0.128 0.000 2.690 351 R HA 0.527 4.867 4.340 -0.000 0.000 0.269 351 R C -1.127 175.236 176.300 0.105 0.000 1.037 351 R CA -1.154 55.032 56.100 0.143 0.000 0.877 351 R CB 0.948 31.318 30.300 0.118 0.000 1.255 351 R HN 0.080 nan 8.270 nan 0.000 0.467 352 I N 1.145 121.771 120.570 0.094 0.000 2.436 352 I HA 0.488 4.658 4.170 -0.000 0.000 0.289 352 I C 0.074 176.069 176.117 -0.203 0.000 1.010 352 I CA -0.888 60.285 61.300 -0.212 0.000 1.098 352 I CB 2.270 40.062 38.000 -0.348 0.000 1.266 352 I HN 0.852 nan 8.210 nan 0.000 0.434 353 G N 5.378 113.809 108.800 -0.615 0.000 2.388 353 G HA2 0.724 4.683 3.960 -0.000 0.000 0.330 353 G HA3 0.724 4.683 3.960 -0.000 0.000 0.330 353 G C -1.273 173.092 174.900 -0.891 0.000 1.142 353 G CA -0.234 44.280 45.100 -0.975 0.000 0.908 353 G HN 0.312 nan 8.290 nan 0.000 0.473 354 F N 0.470 120.114 119.950 -0.510 0.000 2.532 354 F HA 0.778 5.305 4.527 -0.000 0.000 0.321 354 F C 0.439 176.105 175.800 -0.223 0.000 1.089 354 F CA -0.643 57.159 58.000 -0.330 0.000 0.926 354 F CB 2.742 41.562 39.000 -0.300 0.000 1.168 354 F HN 0.712 nan 8.300 nan 0.000 0.459 355 A N 1.166 124.058 122.820 0.120 0.000 2.594 355 A HA 0.716 5.036 4.320 -0.000 0.000 0.295 355 A C -1.484 176.344 177.584 0.407 0.000 1.071 355 A CA -0.840 51.324 52.037 0.211 0.000 0.685 355 A CB 1.032 20.043 19.000 0.019 0.000 1.285 355 A HN 0.466 nan 8.150 nan 0.000 0.405 356 V N 1.628 121.765 119.914 0.373 0.000 2.599 356 V HA 0.232 4.352 4.120 -0.000 0.000 0.300 356 V C 1.201 177.424 176.094 0.215 0.000 1.034 356 V CA 0.386 62.826 62.300 0.232 0.000 1.115 356 V CB 1.149 33.042 31.823 0.116 0.000 0.934 356 V HN 0.911 nan 8.190 nan 0.000 0.485 357 S N 4.008 119.773 115.700 0.108 0.000 2.528 357 S HA 0.367 4.837 4.470 -0.000 0.000 0.277 357 S C 1.294 176.014 174.600 0.200 0.000 1.297 357 S CA -0.164 58.129 58.200 0.156 0.000 1.052 357 S CB 1.116 64.365 63.200 0.082 0.000 0.917 357 S HN 1.000 nan 8.310 nan 0.000 0.492 358 A N 3.474 126.355 122.820 0.102 0.000 2.178 358 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 358 A C 1.752 179.346 177.584 0.018 0.000 1.157 358 A CA 1.207 53.273 52.037 0.048 0.000 0.689 358 A CB -1.020 17.971 19.000 -0.017 0.000 0.787 358 A HN 1.241 nan 8.150 nan 0.000 0.465 359 C N -1.023 118.292 119.300 0.024 0.000 3.115 359 C HA 0.389 4.849 4.460 -0.000 0.000 0.277 359 C C 0.684 175.667 174.990 -0.010 0.000 1.460 359 C CA -0.364 58.644 59.018 -0.017 0.000 1.789 359 C CB -1.854 25.870 27.740 -0.028 0.000 2.674 359 C HN 0.649 nan 8.230 nan 0.000 0.582 360 H N 0.582 119.634 119.070 -0.030 0.000 2.652 360 H HA 0.536 5.091 4.556 -0.000 0.000 0.349 360 H C -0.665 174.671 175.328 0.013 0.000 1.099 360 H CA -0.127 55.887 56.048 -0.056 0.000 1.417 360 H CB 1.014 30.691 29.762 -0.142 0.000 1.457 360 H HN 0.179 nan 8.280 nan 0.000 0.568 361 V N 6.087 125.952 119.914 -0.082 0.000 2.614 361 V HA 0.180 4.299 4.120 -0.000 0.000 0.291 361 V C 0.655 176.662 176.094 -0.146 0.000 1.049 361 V CA 0.167 62.354 62.300 -0.188 0.000 1.038 361 V CB 0.324 32.054 31.823 -0.156 0.000 0.980 361 V HN 1.078 nan 8.190 nan 0.000 0.481 362 H N 2.142 121.011 119.070 -0.334 0.000 2.888 362 H HA 0.538 5.094 4.556 -0.000 0.000 0.267 362 H C -1.495 173.653 175.328 -0.300 0.000 1.482 362 H CA -0.705 55.166 56.048 -0.295 0.000 1.165 362 H CB 1.518 31.183 29.762 -0.163 0.000 1.866 362 H HN 0.657 nan 8.280 nan 0.000 0.599 363 D N -1.137 119.196 120.400 -0.111 0.000 2.689 363 D HA 0.132 4.772 4.640 -0.000 0.000 0.255 363 D C 0.781 177.041 176.300 -0.066 0.000 1.113 363 D CA -0.774 53.126 54.000 -0.166 0.000 1.115 363 D CB 1.375 42.128 40.800 -0.079 0.000 1.334 363 D HN 0.675 nan 8.370 nan 0.000 0.621 364 E N -1.311 118.694 120.200 -0.324 0.000 2.418 364 E HA -0.048 4.302 4.350 -0.000 0.000 0.197 364 E C 0.449 176.776 176.600 -0.455 0.000 1.026 364 E CA 0.619 56.742 56.400 -0.462 0.000 0.862 364 E CB -0.089 29.171 29.700 -0.733 0.000 0.799 364 E HN 0.553 nan 8.360 nan 0.000 0.518 365 F N -0.411 119.581 119.950 0.069 0.000 2.717 365 F HA 0.348 4.875 4.527 -0.000 0.000 0.297 365 F C 0.839 176.672 175.800 0.056 0.000 1.113 365 F CA -0.324 57.711 58.000 0.058 0.000 1.319 365 F CB 0.645 39.679 39.000 0.056 0.000 1.097 365 F HN -0.300 nan 8.300 nan 0.000 0.595 366 R N -0.150 120.479 120.500 0.215 0.000 2.740 366 R HA 0.585 4.924 4.340 -0.000 0.000 0.273 366 R C -0.930 175.414 176.300 0.072 0.000 0.998 366 R CA -0.602 55.579 56.100 0.135 0.000 0.900 366 R CB 2.258 32.643 30.300 0.143 0.000 1.223 366 R HN -0.003 nan 8.270 nan 0.000 0.466 367 T N -1.935 112.623 114.554 0.007 0.000 2.883 367 T HA 0.699 5.049 4.350 -0.000 0.000 0.301 367 T C -0.058 174.606 174.700 -0.060 0.000 1.158 367 T CA -0.905 61.175 62.100 -0.032 0.000 1.007 367 T CB 1.835 70.585 68.868 -0.195 0.000 1.186 367 T HN 0.662 nan 8.240 nan 0.000 0.499 368 A N 0.851 123.502 122.820 -0.283 0.000 2.429 368 A HA 0.722 5.042 4.320 -0.000 0.000 0.242 368 A C 0.570 178.042 177.584 -0.187 0.000 1.088 368 A CA -0.004 51.778 52.037 -0.425 0.000 0.784 368 A CB -0.656 17.711 19.000 -1.056 0.000 1.038 368 A HN 1.908 nan 8.150 nan 0.000 0.501 369 A N -0.484 122.362 122.820 0.044 0.000 2.594 369 A HA 0.643 4.963 4.320 -0.000 0.000 0.295 369 A C -1.286 176.408 177.584 0.184 0.000 1.071 369 A CA -0.363 51.736 52.037 0.103 0.000 0.685 369 A CB 1.499 20.522 19.000 0.039 0.000 1.285 369 A HN 1.552 nan 8.150 nan 0.000 0.405 370 V N 1.577 121.553 119.914 0.103 0.000 2.509 370 V HA 0.514 4.633 4.120 -0.000 0.000 0.289 370 V C -0.645 175.385 176.094 -0.107 0.000 1.026 370 V CA -0.310 61.989 62.300 -0.002 0.000 0.872 370 V CB 1.008 32.890 31.823 0.100 0.000 1.017 370 V HN 0.947 nan 8.190 nan 0.000 0.436 371 E N 2.177 122.229 120.200 -0.247 0.000 2.343 371 E HA 0.896 5.246 4.350 -0.000 0.000 0.270 371 E C 0.016 176.211 176.600 -0.674 0.000 0.895 371 E CA -0.678 55.534 56.400 -0.313 0.000 0.767 371 E CB 2.944 32.609 29.700 -0.058 0.000 1.248 371 E HN 0.896 nan 8.360 nan 0.000 0.440 372 G N 1.305 109.552 108.800 -0.920 0.000 2.441 372 G HA2 0.401 4.361 3.960 -0.000 0.000 0.294 372 G HA3 0.401 4.361 3.960 -0.000 0.000 0.294 372 G C -2.957 171.592 174.900 -0.585 0.000 1.393 372 G CA -0.785 43.539 45.100 -1.293 0.000 0.796 372 G HN 0.378 nan 8.290 nan 0.000 0.494 373 P HA 0.748 nan 4.420 nan 0.000 0.283 373 P C -1.542 175.365 177.300 -0.654 0.000 1.271 373 P CA -0.567 62.322 63.100 -0.352 0.000 0.841 373 P CB 1.381 33.148 31.700 0.112 0.000 1.122 374 F N -0.897 119.099 119.950 0.076 0.000 2.536 374 F HA 0.227 4.754 4.527 -0.000 0.000 0.322 374 F C 0.169 176.010 175.800 0.068 0.000 1.144 374 F CA -1.060 56.987 58.000 0.078 0.000 0.924 374 F CB 2.046 41.122 39.000 0.126 0.000 1.181 374 F HN -0.111 nan 8.300 nan 0.000 0.438 375 V N 3.125 123.153 119.914 0.192 0.000 2.276 375 V HA 0.213 4.333 4.120 -0.000 0.000 0.249 375 V C 0.132 176.285 176.094 0.099 0.000 1.160 375 V CA -0.272 62.103 62.300 0.125 0.000 1.042 375 V CB -0.519 31.356 31.823 0.086 0.000 1.224 375 V HN 0.852 nan 8.190 nan 0.000 0.496 376 T N 3.089 117.698 114.554 0.091 0.000 2.940 376 T HA 0.827 5.177 4.350 -0.000 0.000 0.288 376 T C -0.381 174.342 174.700 0.038 0.000 1.033 376 T CA -0.786 61.338 62.100 0.039 0.000 1.033 376 T CB 2.161 71.032 68.868 0.006 0.000 1.079 376 T HN 0.202 nan 8.240 nan 0.000 0.496 377 L N 0.305 121.540 121.223 0.019 0.000 2.298 377 L HA 0.492 4.832 4.340 -0.000 0.000 0.268 377 L C 0.380 177.260 176.870 0.017 0.000 1.010 377 L CA -1.016 53.837 54.840 0.021 0.000 0.812 377 L CB 0.796 42.864 42.059 0.015 0.000 1.331 377 L HN 0.720 nan 8.230 nan 0.000 0.450 378 D N 0.105 120.516 120.400 0.019 0.000 2.913 378 D HA -0.232 4.407 4.640 -0.000 0.000 0.228 378 D C 1.375 177.689 176.300 0.023 0.000 1.180 378 D CA 0.909 54.920 54.000 0.017 0.000 0.761 378 D CB -0.294 40.511 40.800 0.008 0.000 1.085 378 D HN 0.493 nan 8.370 nan 0.000 0.420 379 M N -0.703 118.916 119.600 0.031 0.000 2.195 379 M HA -0.222 4.257 4.480 -0.000 0.000 0.260 379 M C 2.101 178.429 176.300 0.046 0.000 1.066 379 M CA 1.885 57.209 55.300 0.039 0.000 1.089 379 M CB -0.246 32.383 32.600 0.049 0.000 1.377 379 M HN 0.167 nan 8.290 nan 0.000 0.411 380 E N 0.599 120.825 120.200 0.043 0.000 2.204 380 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 380 E C 1.505 178.129 176.600 0.041 0.000 0.989 380 E CA 1.000 57.427 56.400 0.045 0.000 0.824 380 E CB -0.062 29.660 29.700 0.037 0.000 0.756 380 E HN 0.394 nan 8.360 nan 0.000 0.477 381 D N -0.250 120.170 120.400 0.033 0.000 2.378 381 D HA -0.064 4.576 4.640 -0.000 0.000 0.227 381 D C 1.174 177.498 176.300 0.040 0.000 1.012 381 D CA 0.299 54.315 54.000 0.028 0.000 0.905 381 D CB 0.005 40.814 40.800 0.015 0.000 0.895 381 D HN 0.314 nan 8.370 nan 0.000 0.532 382 C N 0.212 119.543 119.300 0.052 0.000 2.446 382 C HA 0.147 4.607 4.460 -0.000 0.000 0.279 382 C C 1.685 176.739 174.990 0.106 0.000 1.366 382 C CA 0.025 59.084 59.018 0.068 0.000 1.763 382 C CB -1.031 26.756 27.740 0.078 0.000 1.929 382 C HN 0.280 nan 8.230 nan 0.000 0.509 383 G N -0.970 107.894 108.800 0.107 0.000 2.491 383 G HA2 0.290 4.249 3.960 -0.000 0.000 0.238 383 G HA3 0.290 4.249 3.960 -0.000 0.000 0.238 383 G C -0.898 174.109 174.900 0.179 0.000 1.277 383 G CA 0.074 45.259 45.100 0.142 0.000 0.851 383 G HN 0.460 nan 8.290 nan 0.000 0.573 384 Y N 2.405 122.758 120.300 0.089 0.000 2.320 384 Y HA 0.386 4.936 4.550 -0.000 0.000 0.334 384 Y C 0.234 176.177 175.900 0.072 0.000 1.055 384 Y CA -0.985 57.172 58.100 0.095 0.000 1.143 384 Y CB 0.761 39.296 38.460 0.125 0.000 1.193 384 Y HN 0.505 nan 8.280 nan 0.000 0.477 385 N N 0.000 118.373 118.700 -0.545 0.000 1.763 385 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 385 N CA 0.000 52.790 53.050 -0.434 0.000 0.885 385 N CB 0.000 38.351 38.487 -0.226 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667