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 1tqy_1_D DATA FIRST_RESID 2 DATA SEQUENCE SVLITGVGVV APNGLGLAPY WSAVLDGRHG LGPVTRFDVS RYPATLAGQI DATA SEQUENCE DDFHAPDHIP GRLLPQTDPS TRLALTAADW ALQDAKADPE SLTDYDMGVV DATA SEQUENCE TANACGGFDF THREFRKLWS EGPKSVSVYE SFAWFYAVNT GQISIRHGMR DATA SEQUENCE GPSSALVAEQ AGGLDALGHA RRTIRRGTPL VVSGGVDSAL DPWGWVSQIA DATA SEQUENCE SGRISTATDP DRAYLPFDER AAGYVPGEGG AILVLEDSAA AEARGRHDAY DATA SEQUENCE GELAGCASTF DPAPGSGRPA GLERAIRLAL NDAGTGPEDV DVVFADGAGV DATA SEQUENCE PELDAAEARA IGRVFGREGV PVTVPKTTTG RLYSGGGPLD VVTALMSLRE DATA SEQUENCE GVIAPTAGVT SVPREYGIDL VLGEPRSTAP RTALVLARGR WGFNSAAVLR DATA SEQUENCE RF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.612 174.600 0.020 0.000 1.055 2 S CA 0.000 58.217 58.200 0.028 0.000 1.107 2 S CB 0.000 63.228 63.200 0.046 0.000 0.593 3 V N 6.147 126.070 119.914 0.014 0.000 2.370 3 V HA 0.548 4.668 4.120 0.000 0.000 0.279 3 V C -0.081 176.009 176.094 -0.005 0.000 1.029 3 V CA -0.438 61.863 62.300 0.000 0.000 0.870 3 V CB 1.084 32.905 31.823 -0.003 0.000 0.984 3 V HN 0.782 nan 8.190 nan 0.000 0.451 4 L N 5.197 126.403 121.223 -0.028 0.000 2.331 4 L HA 0.601 4.941 4.340 0.000 0.000 0.275 4 L C -0.542 176.289 176.870 -0.066 0.000 1.022 4 L CA -0.847 53.958 54.840 -0.059 0.000 0.812 4 L CB 1.860 43.843 42.059 -0.128 0.000 1.257 4 L HN 0.361 nan 8.230 nan 0.000 0.435 5 I N 1.593 122.129 120.570 -0.058 0.000 2.287 5 I HA 0.097 4.267 4.170 0.000 0.000 0.290 5 I C 1.245 177.369 176.117 0.011 0.000 1.069 5 I CA 0.027 61.304 61.300 -0.038 0.000 1.237 5 I CB 0.735 38.709 38.000 -0.042 0.000 1.418 5 I HN 0.745 nan 8.210 nan 0.000 0.481 6 T N 1.434 115.980 114.554 -0.014 0.000 3.057 6 T HA 0.283 4.633 4.350 0.000 0.000 0.254 6 T C 0.798 175.576 174.700 0.130 0.000 1.094 6 T CA 0.030 62.130 62.100 0.001 0.000 1.088 6 T CB 0.515 69.337 68.868 -0.076 0.000 0.934 6 T HN 0.615 nan 8.240 nan 0.000 0.497 7 G N 0.840 109.688 108.800 0.080 0.000 2.746 7 G HA2 0.566 4.526 3.960 0.000 0.000 0.297 7 G HA3 0.566 4.526 3.960 0.000 0.000 0.297 7 G C -1.406 173.427 174.900 -0.112 0.000 1.426 7 G CA -0.363 44.782 45.100 0.074 0.000 0.989 7 G HN 0.823 nan 8.290 nan 0.000 0.520 8 V N -0.728 119.076 119.914 -0.183 0.000 2.876 8 V HA 1.028 5.148 4.120 0.000 0.000 0.312 8 V C -0.015 176.033 176.094 -0.078 0.000 1.085 8 V CA -0.445 61.711 62.300 -0.240 0.000 0.945 8 V CB 1.911 33.431 31.823 -0.505 0.000 1.017 8 V HN 1.560 nan 8.190 nan 0.000 0.428 9 G N 2.244 111.024 108.800 -0.033 0.000 2.702 9 G HA2 0.673 4.633 3.960 0.000 0.000 0.295 9 G HA3 0.673 4.633 3.960 0.000 0.000 0.295 9 G C -0.848 174.086 174.900 0.056 0.000 1.446 9 G CA -0.180 44.990 45.100 0.116 0.000 0.983 9 G HN 1.883 nan 8.290 nan 0.000 0.520 10 V N 0.837 120.818 119.914 0.112 0.000 2.555 10 V HA 0.860 4.980 4.120 0.000 0.000 0.302 10 V C -0.281 175.863 176.094 0.082 0.000 1.038 10 V CA -1.072 61.218 62.300 -0.015 0.000 0.887 10 V CB 1.591 33.301 31.823 -0.190 0.000 0.991 10 V HN 1.124 nan 8.190 nan 0.000 0.434 11 V N 2.081 121.969 119.914 -0.043 0.000 2.340 11 V HA 0.988 5.108 4.120 0.000 0.000 0.277 11 V C 0.122 176.175 176.094 -0.068 0.000 1.017 11 V CA -0.027 62.246 62.300 -0.046 0.000 0.820 11 V CB 0.360 32.055 31.823 -0.214 0.000 1.028 11 V HN 1.647 nan 8.190 nan 0.000 0.436 12 A N 4.965 127.788 122.820 0.005 0.000 2.380 12 A HA 0.980 5.300 4.320 0.000 0.000 0.315 12 A C -2.053 175.609 177.584 0.130 0.000 1.101 12 A CA -2.078 49.990 52.037 0.051 0.000 0.771 12 A CB 2.021 21.067 19.000 0.076 0.000 1.287 12 A HN 0.525 nan 8.150 nan 0.000 0.436 13 P HA -0.141 nan 4.420 nan 0.000 0.220 13 P C 0.615 178.015 177.300 0.167 0.000 1.144 13 P CA 1.672 64.859 63.100 0.144 0.000 0.800 13 P CB 0.152 31.940 31.700 0.148 0.000 0.772 14 N N -1.724 117.103 118.700 0.212 0.000 2.187 14 N HA 0.192 4.932 4.740 0.000 0.000 0.212 14 N C 0.229 175.861 175.510 0.202 0.000 1.152 14 N CA -0.006 53.155 53.050 0.184 0.000 0.872 14 N CB 0.429 39.013 38.487 0.161 0.000 1.025 14 N HN -0.038 nan 8.380 nan 0.000 0.514 15 G N 0.424 109.374 108.800 0.251 0.000 2.378 15 G HA2 0.236 4.196 3.960 0.000 0.000 0.306 15 G HA3 0.236 4.196 3.960 0.000 0.000 0.306 15 G C -1.819 173.217 174.900 0.227 0.000 1.413 15 G CA -0.657 44.594 45.100 0.252 0.000 1.123 15 G HN 0.139 nan 8.290 nan 0.000 0.587 16 L N 3.124 124.469 121.223 0.204 0.000 2.358 16 L HA 0.599 4.939 4.340 0.000 0.000 0.274 16 L C 0.637 177.637 176.870 0.216 0.000 1.136 16 L CA 1.218 56.208 54.840 0.251 0.000 0.970 16 L CB -0.226 42.009 42.059 0.294 0.000 1.314 16 L HN 1.383 nan 8.230 nan 0.000 0.427 17 G N 2.847 111.772 108.800 0.208 0.000 2.525 17 G HA2 -0.153 3.807 3.960 0.000 0.000 0.685 17 G HA3 -0.153 3.807 3.960 0.000 0.000 0.685 17 G C 0.288 175.234 174.900 0.076 0.000 1.285 17 G CA -0.279 44.820 45.100 -0.002 0.000 0.849 17 G HN 0.445 nan 8.290 nan 0.000 0.653 18 L N 1.152 122.400 121.223 0.041 0.000 1.991 18 L HA -0.215 4.125 4.340 0.000 0.000 0.221 18 L C 3.310 180.306 176.870 0.210 0.000 1.079 18 L CA 3.336 58.251 54.840 0.124 0.000 0.778 18 L CB -0.779 41.306 42.059 0.043 0.000 0.893 18 L HN 1.172 nan 8.230 nan 0.000 0.437 19 A N 0.132 123.022 122.820 0.116 0.000 1.859 19 A HA -0.212 4.108 4.320 0.000 0.000 0.217 19 A C -0.045 177.646 177.584 0.178 0.000 1.198 19 A CA 2.340 54.464 52.037 0.145 0.000 0.629 19 A CB -2.064 16.974 19.000 0.063 0.000 0.830 19 A HN 0.397 nan 8.150 nan 0.000 0.446 20 P HA -0.167 nan 4.420 nan 0.000 0.215 20 P C 1.530 178.936 177.300 0.177 0.000 1.153 20 P CA 1.355 64.534 63.100 0.133 0.000 0.853 20 P CB -0.205 31.568 31.700 0.122 0.000 0.788 21 Y N -0.795 119.583 120.300 0.130 0.000 2.097 21 Y HA -0.219 4.331 4.550 -0.000 0.000 0.282 21 Y C 2.394 178.429 175.900 0.225 0.000 1.152 21 Y CA 1.492 59.686 58.100 0.157 0.000 1.136 21 Y CB -1.175 37.380 38.460 0.158 0.000 0.975 21 Y HN 0.015 nan 8.280 nan 0.000 0.498 22 W N 0.314 121.593 121.300 -0.035 0.000 2.338 22 W HA -0.270 4.390 4.660 0.000 0.000 0.304 22 W C 2.584 179.027 176.519 -0.126 0.000 1.212 22 W CA 1.799 59.075 57.345 -0.115 0.000 1.264 22 W CB -0.537 28.951 29.460 0.047 0.000 1.142 22 W HN 0.304 nan 8.180 nan 0.000 0.512 23 S N 0.665 116.359 115.700 -0.011 0.000 2.356 23 S HA -0.185 4.285 4.470 0.000 0.000 0.223 23 S C 2.028 176.508 174.600 -0.201 0.000 1.032 23 S CA 1.962 60.080 58.200 -0.137 0.000 1.005 23 S CB -0.639 62.550 63.200 -0.018 0.000 0.867 23 S HN 0.282 nan 8.310 nan 0.000 0.449 24 A N 0.882 123.610 122.820 -0.153 0.000 1.902 24 A HA 0.013 4.333 4.320 0.000 0.000 0.217 24 A C 2.373 179.813 177.584 -0.240 0.000 1.181 24 A CA 1.754 53.698 52.037 -0.155 0.000 0.623 24 A CB -1.134 17.816 19.000 -0.084 0.000 0.818 24 A HN 0.465 nan 8.150 nan 0.000 0.443 25 V N 0.334 120.020 119.914 -0.380 0.000 2.287 25 V HA -0.292 3.828 4.120 0.000 0.000 0.248 25 V C 2.566 178.423 176.094 -0.395 0.000 1.053 25 V CA 2.106 64.166 62.300 -0.399 0.000 1.027 25 V CB -0.777 30.744 31.823 -0.503 0.000 0.646 25 V HN 0.585 nan 8.190 nan 0.000 0.447 26 L N -0.151 120.738 121.223 -0.558 0.000 2.131 26 L HA -0.165 4.175 4.340 0.000 0.000 0.210 26 L C 2.140 178.840 176.870 -0.284 0.000 1.092 26 L CA 1.836 56.381 54.840 -0.492 0.000 0.759 26 L CB -0.531 41.160 42.059 -0.614 0.000 0.903 26 L HN 0.395 nan 8.230 nan 0.000 0.435 27 D N -0.330 119.928 120.400 -0.237 0.000 2.349 27 D HA 0.052 4.692 4.640 0.000 0.000 0.215 27 D C 1.419 177.646 176.300 -0.122 0.000 1.016 27 D CA 0.770 54.678 54.000 -0.154 0.000 0.870 27 D CB 0.270 40.993 40.800 -0.129 0.000 0.917 27 D HN 0.269 nan 8.370 nan 0.000 0.524 28 G N 1.042 109.763 108.800 -0.131 0.000 2.160 28 G HA2 -0.331 3.629 3.960 0.000 0.000 0.251 28 G HA3 -0.331 3.629 3.960 0.000 0.000 0.251 28 G C 0.086 174.954 174.900 -0.054 0.000 1.008 28 G CA 0.002 45.054 45.100 -0.080 0.000 0.724 28 G HN 0.356 nan 8.290 nan 0.000 0.514 29 R N 0.541 120.990 120.500 -0.085 0.000 2.298 29 R HA 0.462 4.802 4.340 0.000 0.000 0.310 29 R C 0.735 177.006 176.300 -0.047 0.000 1.068 29 R CA -0.159 55.877 56.100 -0.107 0.000 0.957 29 R CB 0.367 30.602 30.300 -0.108 0.000 1.003 29 R HN 0.759 nan 8.270 nan 0.000 0.454 30 H N -0.641 118.436 119.070 0.012 0.000 2.544 30 H HA 0.465 5.021 4.556 -0.000 0.000 0.342 30 H C 0.643 176.006 175.328 0.059 0.000 1.185 30 H CA -1.148 54.926 56.048 0.044 0.000 1.264 30 H CB 1.240 31.035 29.762 0.055 0.000 1.607 30 H HN 0.642 nan 8.280 nan 0.000 0.550 31 G N 1.232 110.230 108.800 0.331 0.000 3.936 31 G HA2 0.293 4.253 3.960 0.000 0.000 0.296 31 G HA3 0.293 4.253 3.960 0.000 0.000 0.296 31 G C -0.783 174.288 174.900 0.284 0.000 1.121 31 G CA -0.266 44.981 45.100 0.246 0.000 0.899 31 G HN 0.302 nan 8.290 nan 0.000 0.542 32 L N 0.825 122.329 121.223 0.468 0.000 2.379 32 L HA 0.890 5.230 4.340 0.000 0.000 0.269 32 L C 0.751 177.740 176.870 0.197 0.000 1.084 32 L CA -0.332 54.625 54.840 0.195 0.000 0.802 32 L CB 1.184 43.191 42.059 -0.086 0.000 1.175 32 L HN 0.249 nan 8.230 nan 0.000 0.448 33 G N 1.469 110.328 108.800 0.098 0.000 2.320 33 G HA2 0.422 4.382 3.960 0.000 0.000 0.296 33 G HA3 0.422 4.382 3.960 0.000 0.000 0.296 33 G C -3.248 171.660 174.900 0.015 0.000 1.306 33 G CA -0.729 44.415 45.100 0.073 0.000 0.836 33 G HN 0.308 nan 8.290 nan 0.000 0.517 34 P HA 0.353 nan 4.420 nan 0.000 0.269 34 P C 0.198 177.406 177.300 -0.153 0.000 1.209 34 P CA -0.352 62.707 63.100 -0.068 0.000 0.776 34 P CB 1.001 32.669 31.700 -0.053 0.000 0.876 35 V N 2.769 122.505 119.914 -0.296 0.000 2.655 35 V HA 0.081 4.201 4.120 0.000 0.000 0.300 35 V C 1.470 177.305 176.094 -0.432 0.000 1.044 35 V CA 1.166 63.173 62.300 -0.489 0.000 1.095 35 V CB 0.501 31.733 31.823 -0.984 0.000 0.952 35 V HN 0.815 nan 8.190 nan 0.000 0.485 36 T N 1.057 115.405 114.554 -0.343 0.000 3.043 36 T HA 0.128 4.478 4.350 0.000 0.000 0.272 36 T C 1.383 175.959 174.700 -0.207 0.000 0.990 36 T CA -0.474 61.488 62.100 -0.230 0.000 0.897 36 T CB 0.120 68.923 68.868 -0.109 0.000 1.111 36 T HN 0.436 nan 8.240 nan 0.000 0.529 37 R N 1.230 121.560 120.500 -0.283 0.000 2.189 37 R HA 0.237 4.577 4.340 0.000 0.000 0.223 37 R C 0.369 176.704 176.300 0.059 0.000 1.092 37 R CA 0.665 56.717 56.100 -0.081 0.000 0.989 37 R CB -0.700 29.615 30.300 0.025 0.000 0.876 37 R HN 0.697 nan 8.270 nan 0.000 0.457 38 F N -3.228 116.713 119.950 -0.015 0.000 2.985 38 F HA 0.339 4.866 4.527 -0.000 0.000 0.322 38 F C -1.065 174.741 175.800 0.009 0.000 1.187 38 F CA -2.090 55.922 58.000 0.020 0.000 0.910 38 F CB 0.425 39.465 39.000 0.067 0.000 1.411 38 F HN -0.336 nan 8.300 nan 0.000 0.492 39 D N 1.353 121.964 120.400 0.351 0.000 2.470 39 D HA 0.286 4.926 4.640 0.000 0.000 0.226 39 D C 1.140 177.605 176.300 0.275 0.000 1.196 39 D CA -0.114 53.993 54.000 0.179 0.000 0.979 39 D CB 0.877 41.752 40.800 0.126 0.000 1.059 39 D HN 0.644 nan 8.370 nan 0.000 0.515 40 V N 1.568 121.526 119.914 0.073 0.000 3.305 40 V HA -0.123 3.997 4.120 0.000 0.000 0.269 40 V C 2.049 178.250 176.094 0.179 0.000 1.157 40 V CA 1.136 63.568 62.300 0.220 0.000 1.157 40 V CB -1.121 30.625 31.823 -0.128 0.000 0.772 40 V HN 0.501 nan 8.190 nan 0.000 0.498 41 S N 2.420 118.153 115.700 0.056 0.000 2.469 41 S HA -0.203 4.267 4.470 0.000 0.000 0.238 41 S C 1.832 176.417 174.600 -0.024 0.000 0.998 41 S CA 1.205 59.419 58.200 0.024 0.000 0.957 41 S CB -0.678 62.523 63.200 0.001 0.000 0.764 41 S HN 0.872 nan 8.310 nan 0.000 0.514 42 R N -0.427 119.983 120.500 -0.150 0.000 2.334 42 R HA 0.270 4.610 4.340 0.000 0.000 0.220 42 R C -0.806 175.210 176.300 -0.473 0.000 0.917 42 R CA -0.243 55.657 56.100 -0.334 0.000 1.073 42 R CB -0.383 29.647 30.300 -0.451 0.000 1.056 42 R HN 0.461 nan 8.270 nan 0.000 0.506 43 Y N -0.016 120.400 120.300 0.193 0.000 2.562 43 Y HA 0.388 4.939 4.550 0.000 0.000 0.343 43 Y C -1.592 174.425 175.900 0.195 0.000 1.025 43 Y CA -3.080 55.159 58.100 0.231 0.000 1.082 43 Y CB 1.446 40.160 38.460 0.424 0.000 1.264 43 Y HN -0.232 nan 8.280 nan 0.000 0.478 44 P HA -0.071 nan 4.420 nan 0.000 0.215 44 P C -0.415 177.005 177.300 0.199 0.000 1.153 44 P CA 1.509 64.719 63.100 0.184 0.000 0.853 44 P CB 0.228 31.997 31.700 0.114 0.000 0.788 45 A N -0.730 122.257 122.820 0.278 0.000 2.305 45 A HA 0.491 4.811 4.320 0.000 0.000 0.322 45 A C 0.784 178.728 177.584 0.600 0.000 1.187 45 A CA 0.160 52.384 52.037 0.311 0.000 0.825 45 A CB 0.408 19.460 19.000 0.088 0.000 1.164 45 A HN 0.195 nan 8.150 nan 0.000 0.498 46 T N -0.201 114.596 114.554 0.405 0.000 3.087 46 T HA 0.339 4.689 4.350 0.000 0.000 0.283 46 T C 0.059 174.827 174.700 0.112 0.000 0.956 46 T CA 0.028 62.272 62.100 0.240 0.000 0.894 46 T CB -0.563 68.379 68.868 0.124 0.000 1.160 46 T HN 0.359 nan 8.240 nan 0.000 0.532 47 L N 2.091 123.438 121.223 0.206 0.000 2.309 47 L HA 0.886 5.226 4.340 0.000 0.000 0.282 47 L C -0.057 176.938 176.870 0.207 0.000 1.036 47 L CA -0.977 53.937 54.840 0.123 0.000 0.806 47 L CB 1.610 43.720 42.059 0.084 0.000 1.220 47 L HN 0.351 nan 8.230 nan 0.000 0.429 48 A N 1.405 124.289 122.820 0.106 0.000 2.609 48 A HA 0.731 5.051 4.320 0.000 0.000 0.291 48 A C -0.367 177.279 177.584 0.103 0.000 1.096 48 A CA -0.377 51.752 52.037 0.154 0.000 0.684 48 A CB 1.563 20.636 19.000 0.121 0.000 1.282 48 A HN 0.721 nan 8.150 nan 0.000 0.412 49 G N 0.788 109.663 108.800 0.126 0.000 2.663 49 G HA2 0.495 4.455 3.960 0.000 0.000 0.320 49 G HA3 0.495 4.455 3.960 0.000 0.000 0.320 49 G C -0.261 174.705 174.900 0.110 0.000 0.937 49 G CA -0.126 45.047 45.100 0.121 0.000 1.332 49 G HN 0.634 nan 8.290 nan 0.000 0.461 50 Q N 1.067 120.922 119.800 0.091 0.000 2.230 50 Q HA 0.390 4.730 4.340 0.000 0.000 0.248 50 Q C -0.167 175.891 176.000 0.098 0.000 0.915 50 Q CA -0.417 55.435 55.803 0.081 0.000 0.900 50 Q CB 2.462 31.227 28.738 0.044 0.000 1.229 50 Q HN 0.477 nan 8.270 nan 0.000 0.439 51 I N 2.426 123.058 120.570 0.103 0.000 2.297 51 I HA 0.083 4.253 4.170 0.000 0.000 0.291 51 I C -0.044 176.163 176.117 0.151 0.000 1.033 51 I CA -0.105 61.267 61.300 0.120 0.000 1.253 51 I CB 0.877 38.928 38.000 0.085 0.000 1.396 51 I HN 0.596 nan 8.210 nan 0.000 0.476 52 D N 3.657 124.144 120.400 0.144 0.000 2.398 52 D HA -0.004 4.636 4.640 0.000 0.000 0.210 52 D C 0.522 176.918 176.300 0.160 0.000 1.094 52 D CA 0.361 54.444 54.000 0.139 0.000 0.839 52 D CB 0.463 41.320 40.800 0.094 0.000 0.963 52 D HN 0.591 nan 8.370 nan 0.000 0.506 53 D N -0.173 120.346 120.400 0.199 0.000 2.559 53 D HA 0.003 4.644 4.640 0.000 0.000 0.234 53 D C -0.299 176.188 176.300 0.312 0.000 1.226 53 D CA -0.654 53.473 54.000 0.211 0.000 0.830 53 D CB -0.816 40.095 40.800 0.186 0.000 1.028 53 D HN -0.033 nan 8.370 nan 0.000 0.492 54 F N 2.233 122.278 119.950 0.158 0.000 2.347 54 F HA 0.291 4.818 4.527 0.000 0.000 0.366 54 F C -0.832 175.100 175.800 0.221 0.000 1.107 54 F CA -1.053 57.047 58.000 0.167 0.000 1.058 54 F CB 0.837 39.873 39.000 0.060 0.000 1.236 54 F HN 0.016 nan 8.300 nan 0.000 0.456 55 H N 6.313 125.166 119.070 -0.362 0.000 2.661 55 H HA 0.420 4.976 4.556 0.000 0.000 0.290 55 H C 0.775 175.756 175.328 -0.578 0.000 1.082 55 H CA 0.210 56.046 56.048 -0.354 0.000 1.234 55 H CB 1.683 31.367 29.762 -0.131 0.000 1.387 55 H HN 0.894 nan 8.280 nan 0.000 0.476 56 A N 6.943 129.144 122.820 -1.033 0.000 1.915 56 A HA -0.171 4.149 4.320 0.000 0.000 0.220 56 A C -0.556 176.776 177.584 -0.420 0.000 1.198 56 A CA 1.432 53.032 52.037 -0.728 0.000 0.647 56 A CB -1.376 17.432 19.000 -0.319 0.000 0.825 56 A HN 0.591 nan 8.150 nan 0.000 0.456 57 P HA -0.116 nan 4.420 nan 0.000 0.220 57 P C 0.304 177.510 177.300 -0.157 0.000 1.144 57 P CA 1.449 64.374 63.100 -0.292 0.000 0.800 57 P CB -0.091 31.432 31.700 -0.295 0.000 0.772 58 D N -2.889 117.408 120.400 -0.171 0.000 2.349 58 D HA -0.026 4.614 4.640 0.000 0.000 0.215 58 D C 1.386 177.489 176.300 -0.329 0.000 1.016 58 D CA 0.845 54.732 54.000 -0.187 0.000 0.870 58 D CB -0.127 40.557 40.800 -0.194 0.000 0.917 58 D HN 0.400 nan 8.370 nan 0.000 0.524 59 H N -1.136 117.891 119.070 -0.071 0.000 3.205 59 H HA 0.191 4.747 4.556 -0.000 0.000 0.252 59 H C 0.347 175.667 175.328 -0.014 0.000 1.015 59 H CA -0.023 56.027 56.048 0.003 0.000 1.192 59 H CB 2.028 31.830 29.762 0.067 0.000 1.474 59 H HN -0.027 nan 8.280 nan 0.000 0.484 60 I N 3.027 123.637 120.570 0.068 0.000 2.433 60 I HA 0.298 4.468 4.170 0.000 0.000 0.292 60 I C -2.259 173.850 176.117 -0.013 0.000 1.001 60 I CA -3.003 58.312 61.300 0.024 0.000 1.119 60 I CB 1.477 39.492 38.000 0.024 0.000 1.289 60 I HN -0.212 nan 8.210 nan 0.000 0.438 61 P HA 0.055 nan 4.420 nan 0.000 0.265 61 P C 1.172 178.456 177.300 -0.027 0.000 1.187 61 P CA 0.151 63.238 63.100 -0.021 0.000 0.766 61 P CB 0.670 32.354 31.700 -0.026 0.000 0.820 62 G N 2.957 111.744 108.800 -0.022 0.000 2.469 62 G HA2 -0.307 3.653 3.960 0.000 0.000 0.220 62 G HA3 -0.307 3.653 3.960 0.000 0.000 0.220 62 G C 1.563 176.451 174.900 -0.020 0.000 1.136 62 G CA 0.412 45.500 45.100 -0.020 0.000 0.759 62 G HN 0.488 nan 8.290 nan 0.000 0.562 63 R N -0.239 120.249 120.500 -0.020 0.000 2.127 63 R HA 0.038 4.378 4.340 0.000 0.000 0.238 63 R C 2.271 178.542 176.300 -0.049 0.000 1.134 63 R CA 1.050 57.136 56.100 -0.022 0.000 0.975 63 R CB -0.235 30.053 30.300 -0.020 0.000 0.865 63 R HN 0.428 nan 8.270 nan 0.000 0.447 64 L N 0.212 121.404 121.223 -0.052 0.000 2.477 64 L HA 0.001 4.341 4.340 0.000 0.000 0.220 64 L C 2.069 178.899 176.870 -0.067 0.000 1.106 64 L CA 0.017 54.817 54.840 -0.066 0.000 0.851 64 L CB -0.059 41.972 42.059 -0.046 0.000 0.994 64 L HN 0.206 nan 8.230 nan 0.000 0.462 65 L N 0.533 121.727 121.223 -0.048 0.000 1.990 65 L HA -0.184 4.156 4.340 0.000 0.000 0.213 65 L C -0.121 176.738 176.870 -0.019 0.000 1.072 65 L CA 1.670 56.492 54.840 -0.030 0.000 0.755 65 L CB -1.874 40.165 42.059 -0.032 0.000 0.889 65 L HN 0.260 nan 8.230 nan 0.000 0.432 66 P HA -0.194 nan 4.420 nan 0.000 0.219 66 P C 0.814 178.046 177.300 -0.113 0.000 1.146 66 P CA 1.223 64.314 63.100 -0.016 0.000 0.808 66 P CB -0.097 31.614 31.700 0.017 0.000 0.779 67 Q N -0.684 118.867 119.800 -0.415 0.000 2.188 67 Q HA 0.171 4.511 4.340 0.000 0.000 0.212 67 Q C -0.466 175.378 176.000 -0.260 0.000 0.846 67 Q CA -0.199 55.254 55.803 -0.584 0.000 0.989 67 Q CB -0.229 27.971 28.738 -0.897 0.000 1.114 67 Q HN 0.083 nan 8.270 nan 0.000 0.488 68 T N -2.425 112.089 114.554 -0.066 0.000 2.861 68 T HA 0.410 4.760 4.350 0.000 0.000 0.287 68 T C -0.953 173.815 174.700 0.113 0.000 1.003 68 T CA -0.841 61.245 62.100 -0.024 0.000 0.977 68 T CB 2.108 70.981 68.868 0.009 0.000 0.996 68 T HN 0.166 nan 8.240 nan 0.000 0.448 69 D N 2.080 122.533 120.400 0.088 0.000 2.358 69 D HA 0.358 4.998 4.640 0.000 0.000 0.244 69 D C -1.356 175.039 176.300 0.159 0.000 1.163 69 D CA -1.957 52.166 54.000 0.204 0.000 0.945 69 D CB 1.080 41.982 40.800 0.170 0.000 1.152 69 D HN 0.176 nan 8.370 nan 0.000 0.451 70 P HA -0.188 nan 4.420 nan 0.000 0.216 70 P C 1.208 178.565 177.300 0.096 0.000 1.153 70 P CA 1.688 64.888 63.100 0.166 0.000 0.858 70 P CB -0.057 31.751 31.700 0.181 0.000 0.789 71 S N -1.626 114.126 115.700 0.085 0.000 2.359 71 S HA -0.187 4.283 4.470 0.000 0.000 0.224 71 S C 1.929 176.518 174.600 -0.020 0.000 1.035 71 S CA 2.200 60.415 58.200 0.026 0.000 1.018 71 S CB -2.075 61.153 63.200 0.048 0.000 0.876 71 S HN 0.118 nan 8.310 nan 0.000 0.448 72 T N 2.307 116.862 114.554 0.002 0.000 2.788 72 T HA -0.022 4.328 4.350 0.000 0.000 0.268 72 T C 1.948 176.633 174.700 -0.026 0.000 1.044 72 T CA 1.458 63.546 62.100 -0.021 0.000 1.139 72 T CB -0.291 68.572 68.868 -0.008 0.000 0.867 72 T HN 0.487 nan 8.240 nan 0.000 0.454 73 R N 0.508 121.020 120.500 0.019 0.000 2.115 73 R HA 0.103 4.443 4.340 0.000 0.000 0.230 73 R C 2.357 178.614 176.300 -0.071 0.000 1.111 73 R CA 0.890 57.032 56.100 0.071 0.000 0.976 73 R CB -0.455 29.992 30.300 0.246 0.000 0.870 73 R HN 0.360 nan 8.270 nan 0.000 0.445 74 L N -0.077 120.994 121.223 -0.254 0.000 2.109 74 L HA -0.046 4.294 4.340 0.000 0.000 0.207 74 L C 2.611 179.274 176.870 -0.345 0.000 1.086 74 L CA 0.953 55.480 54.840 -0.523 0.000 0.760 74 L CB -0.455 41.325 42.059 -0.464 0.000 0.910 74 L HN 0.214 nan 8.230 nan 0.000 0.437 75 A N 0.061 122.757 122.820 -0.206 0.000 1.930 75 A HA -0.104 4.216 4.320 0.000 0.000 0.217 75 A C 2.243 179.739 177.584 -0.147 0.000 1.175 75 A CA 1.180 53.122 52.037 -0.158 0.000 0.627 75 A CB -0.520 18.416 19.000 -0.107 0.000 0.815 75 A HN 0.325 nan 8.150 nan 0.000 0.443 76 L N -0.853 120.294 121.223 -0.127 0.000 2.056 76 L HA -0.132 4.208 4.340 0.000 0.000 0.207 76 L C 2.798 179.567 176.870 -0.168 0.000 1.078 76 L CA 1.684 56.471 54.840 -0.089 0.000 0.749 76 L CB -0.842 41.183 42.059 -0.057 0.000 0.901 76 L HN 0.327 nan 8.230 nan 0.000 0.433 77 T N 0.011 114.390 114.554 -0.291 0.000 2.684 77 T HA -0.218 4.132 4.350 0.000 0.000 0.267 77 T C 2.003 176.234 174.700 -0.782 0.000 1.036 77 T CA 1.435 63.179 62.100 -0.593 0.000 1.148 77 T CB -0.298 68.126 68.868 -0.740 0.000 0.863 77 T HN 0.447 nan 8.240 nan 0.000 0.436 78 A N 1.593 124.107 122.820 -0.510 0.000 1.858 78 A HA 0.113 4.434 4.320 0.000 0.000 0.216 78 A C 2.691 180.200 177.584 -0.124 0.000 1.190 78 A CA 2.014 53.892 52.037 -0.265 0.000 0.617 78 A CB -1.297 17.591 19.000 -0.186 0.000 0.827 78 A HN 0.513 nan 8.150 nan 0.000 0.443 79 A N 0.044 122.793 122.820 -0.118 0.000 1.873 79 A HA -0.271 4.049 4.320 0.000 0.000 0.218 79 A C 1.847 179.395 177.584 -0.061 0.000 1.193 79 A CA 2.437 54.434 52.037 -0.068 0.000 0.629 79 A CB -0.974 18.017 19.000 -0.016 0.000 0.826 79 A HN 0.595 nan 8.150 nan 0.000 0.447 80 D N -1.583 118.804 120.400 -0.021 0.000 2.116 80 D HA -0.217 4.423 4.640 0.000 0.000 0.193 80 D C 1.706 178.086 176.300 0.133 0.000 0.998 80 D CA 1.711 55.738 54.000 0.046 0.000 0.836 80 D CB -0.217 40.613 40.800 0.050 0.000 0.951 80 D HN 0.571 nan 8.370 nan 0.000 0.449 81 W N 0.967 122.275 121.300 0.015 0.000 2.358 81 W HA 0.054 4.714 4.660 -0.000 0.000 0.303 81 W C 2.600 179.104 176.519 -0.026 0.000 1.208 81 W CA 1.028 58.377 57.345 0.007 0.000 1.274 81 W CB -1.382 28.082 29.460 0.007 0.000 1.138 81 W HN 0.114 nan 8.180 nan 0.000 0.515 82 A N 0.146 123.064 122.820 0.163 0.000 1.877 82 A HA -0.173 4.147 4.320 0.000 0.000 0.216 82 A C 2.184 179.776 177.584 0.013 0.000 1.186 82 A CA 1.720 53.785 52.037 0.047 0.000 0.620 82 A CB -1.079 17.908 19.000 -0.023 0.000 0.822 82 A HN 0.229 nan 8.150 nan 0.000 0.443 83 L N -0.152 121.053 121.223 -0.031 0.000 2.046 83 L HA -0.288 4.052 4.340 0.000 0.000 0.208 83 L C 3.030 179.895 176.870 -0.007 0.000 1.077 83 L CA 1.921 56.721 54.840 -0.067 0.000 0.747 83 L CB -0.570 41.379 42.059 -0.183 0.000 0.896 83 L HN 0.739 nan 8.230 nan 0.000 0.432 84 Q N -0.807 119.020 119.800 0.046 0.000 2.245 84 Q HA -0.218 4.122 4.340 0.000 0.000 0.201 84 Q C 1.567 177.598 176.000 0.052 0.000 0.955 84 Q CA 1.553 57.392 55.803 0.060 0.000 0.870 84 Q CB -0.349 28.451 28.738 0.103 0.000 0.945 84 Q HN 0.362 nan 8.270 nan 0.000 0.461 85 D N 1.534 121.973 120.400 0.066 0.000 2.144 85 D HA -0.097 4.543 4.640 0.000 0.000 0.199 85 D C 1.601 177.935 176.300 0.057 0.000 0.984 85 D CA 1.550 55.590 54.000 0.068 0.000 0.834 85 D CB -0.133 40.725 40.800 0.097 0.000 0.955 85 D HN 0.391 nan 8.370 nan 0.000 0.465 86 A N -0.506 122.337 122.820 0.038 0.000 2.238 86 A HA 0.163 4.483 4.320 0.000 0.000 0.208 86 A C 0.803 178.380 177.584 -0.012 0.000 1.177 86 A CA 0.360 52.403 52.037 0.010 0.000 0.804 86 A CB -0.318 18.676 19.000 -0.010 0.000 0.823 86 A HN 0.185 nan 8.150 nan 0.000 0.482 87 K N -1.883 118.517 120.400 -0.000 0.000 3.071 87 K HA -0.194 4.126 4.320 0.000 0.000 0.265 87 K C -0.008 176.583 176.600 -0.014 0.000 1.060 87 K CA 0.889 57.174 56.287 -0.003 0.000 0.767 87 K CB -2.236 30.260 32.500 -0.008 0.000 1.241 87 K HN 0.766 nan 8.250 nan 0.000 0.486 88 A N 1.093 123.901 122.820 -0.019 0.000 2.271 88 A HA 0.468 4.788 4.320 0.000 0.000 0.317 88 A C -0.765 176.805 177.584 -0.025 0.000 1.245 88 A CA -0.521 51.498 52.037 -0.030 0.000 0.857 88 A CB 0.837 19.810 19.000 -0.045 0.000 1.175 88 A HN 0.197 nan 8.150 nan 0.000 0.512 89 D N 3.799 124.191 120.400 -0.014 0.000 2.427 89 D HA 0.436 5.076 4.640 0.000 0.000 0.226 89 D C -1.880 174.419 176.300 -0.001 0.000 1.076 89 D CA -2.007 51.993 54.000 -0.000 0.000 0.849 89 D CB 1.665 42.470 40.800 0.009 0.000 1.052 89 D HN 0.134 nan 8.370 nan 0.000 0.515 90 P HA -0.141 nan 4.420 nan 0.000 0.215 90 P C 0.605 177.911 177.300 0.011 0.000 1.157 90 P CA 1.177 64.284 63.100 0.012 0.000 0.874 90 P CB 0.237 31.971 31.700 0.056 0.000 0.790 91 E N -1.018 119.193 120.200 0.019 0.000 2.463 91 E HA -0.083 4.267 4.350 0.000 0.000 0.201 91 E C 1.568 178.168 176.600 -0.001 0.000 1.045 91 E CA 0.704 57.108 56.400 0.007 0.000 0.872 91 E CB -0.347 29.360 29.700 0.012 0.000 0.797 91 E HN 0.153 nan 8.360 nan 0.000 0.538 92 S N -0.245 115.455 115.700 -0.000 0.000 2.539 92 S HA 0.188 4.658 4.470 0.000 0.000 0.221 92 S C 0.264 174.860 174.600 -0.006 0.000 0.987 92 S CA -0.320 57.879 58.200 -0.003 0.000 0.929 92 S CB 0.314 63.514 63.200 -0.000 0.000 0.832 92 S HN 0.023 nan 8.310 nan 0.000 0.492 93 L N 0.944 122.162 121.223 -0.009 0.000 2.286 93 L HA 0.522 4.862 4.340 0.000 0.000 0.265 93 L C -0.040 176.821 176.870 -0.015 0.000 1.012 93 L CA -0.993 53.841 54.840 -0.010 0.000 0.818 93 L CB 1.661 43.713 42.059 -0.011 0.000 1.337 93 L HN -0.107 nan 8.230 nan 0.000 0.438 94 T N 0.351 114.901 114.554 -0.007 0.000 2.779 94 T HA 0.006 4.356 4.350 0.000 0.000 0.296 94 T C 0.685 175.366 174.700 -0.032 0.000 0.938 94 T CA -0.463 61.631 62.100 -0.011 0.000 1.119 94 T CB 0.698 69.583 68.868 0.028 0.000 0.891 94 T HN 0.716 nan 8.240 nan 0.000 0.526 95 D N 3.101 123.435 120.400 -0.111 0.000 2.126 95 D HA -0.270 4.370 4.640 0.000 0.000 0.190 95 D C 1.346 177.582 176.300 -0.107 0.000 1.001 95 D CA 1.846 55.745 54.000 -0.168 0.000 0.841 95 D CB -0.530 40.075 40.800 -0.325 0.000 0.949 95 D HN 0.640 nan 8.370 nan 0.000 0.446 96 Y N 0.956 121.257 120.300 0.001 0.000 2.497 96 Y HA -0.013 4.537 4.550 0.000 0.000 0.292 96 Y C 1.581 177.481 175.900 -0.001 0.000 1.137 96 Y CA 0.831 58.931 58.100 0.000 0.000 1.285 96 Y CB -0.349 38.111 38.460 -0.000 0.000 0.991 96 Y HN 0.016 nan 8.280 nan 0.000 0.556 97 D N -0.330 120.146 120.400 0.128 0.000 2.349 97 D HA 0.053 4.693 4.640 0.000 0.000 0.224 97 D C 0.079 176.405 176.300 0.044 0.000 1.029 97 D CA 0.610 54.654 54.000 0.073 0.000 0.879 97 D CB -0.066 40.761 40.800 0.046 0.000 0.906 97 D HN 0.278 nan 8.370 nan 0.000 0.528 98 M N 0.263 119.888 119.600 0.042 0.000 2.190 98 M HA 0.489 4.969 4.480 0.000 0.000 0.312 98 M C 0.337 176.656 176.300 0.031 0.000 0.990 98 M CA -0.571 54.741 55.300 0.021 0.000 0.927 98 M CB 2.739 35.342 32.600 0.005 0.000 1.571 98 M HN -0.225 nan 8.290 nan 0.000 0.427 99 G N 1.680 110.494 108.800 0.023 0.000 2.568 99 G HA2 0.803 4.763 3.960 0.000 0.000 0.313 99 G HA3 0.803 4.763 3.960 0.000 0.000 0.313 99 G C -1.455 173.449 174.900 0.007 0.000 1.227 99 G CA -0.632 44.484 45.100 0.026 0.000 0.979 99 G HN 0.503 nan 8.290 nan 0.000 0.486 100 V N 0.119 120.033 119.914 -0.000 0.000 2.577 100 V HA 0.529 4.649 4.120 0.000 0.000 0.303 100 V C -0.702 175.364 176.094 -0.046 0.000 1.042 100 V CA -0.635 61.651 62.300 -0.023 0.000 0.872 100 V CB 1.726 33.536 31.823 -0.022 0.000 0.998 100 V HN 0.558 nan 8.190 nan 0.000 0.423 101 V N 4.145 124.022 119.914 -0.062 0.000 2.447 101 V HA 0.676 4.796 4.120 0.000 0.000 0.292 101 V C 0.098 176.120 176.094 -0.120 0.000 1.021 101 V CA -0.286 61.944 62.300 -0.116 0.000 0.850 101 V CB 2.044 33.810 31.823 -0.095 0.000 1.005 101 V HN 1.042 nan 8.190 nan 0.000 0.426 102 T N 1.907 116.375 114.554 -0.143 0.000 2.930 102 T HA 0.931 5.281 4.350 0.000 0.000 0.290 102 T C -0.278 174.338 174.700 -0.139 0.000 1.052 102 T CA -0.544 61.481 62.100 -0.125 0.000 1.017 102 T CB 2.336 71.133 68.868 -0.117 0.000 1.137 102 T HN 0.942 nan 8.240 nan 0.000 0.511 103 A N 1.524 124.275 122.820 -0.114 0.000 2.337 103 A HA 0.834 5.154 4.320 0.000 0.000 0.331 103 A C -0.425 177.101 177.584 -0.096 0.000 1.137 103 A CA -0.840 51.129 52.037 -0.115 0.000 0.807 103 A CB 1.007 19.948 19.000 -0.099 0.000 1.250 103 A HN 0.837 nan 8.150 nan 0.000 0.468 104 N N -0.234 118.411 118.700 -0.091 0.000 2.455 104 N HA 0.512 5.252 4.740 0.000 0.000 0.285 104 N C 0.076 175.568 175.510 -0.031 0.000 1.080 104 N CA 0.286 53.309 53.050 -0.044 0.000 0.932 104 N CB 2.212 40.677 38.487 -0.035 0.000 1.610 104 N HN 0.603 nan 8.380 nan 0.000 0.493 105 A N 1.712 124.513 122.820 -0.031 0.000 1.920 105 A HA 0.132 4.452 4.320 0.000 0.000 0.209 105 A C 1.580 179.139 177.584 -0.043 0.000 1.229 105 A CA 0.703 52.681 52.037 -0.100 0.000 0.671 105 A CB -0.195 18.717 19.000 -0.147 0.000 0.886 105 A HN 0.708 nan 8.150 nan 0.000 0.461 106 C N -1.362 117.927 119.300 -0.019 0.000 2.791 106 C HA 0.523 4.983 4.460 0.000 0.000 0.288 106 C C 1.629 176.723 174.990 0.174 0.000 1.271 106 C CA -0.062 58.972 59.018 0.026 0.000 1.726 106 C CB -0.959 26.720 27.740 -0.101 0.000 2.145 106 C HN 1.063 nan 8.230 nan 0.000 0.572 107 G N 0.508 109.334 108.800 0.044 0.000 2.698 107 G HA2 0.044 4.004 3.960 0.000 0.000 0.233 107 G HA3 0.044 4.004 3.960 0.000 0.000 0.233 107 G C 0.230 175.153 174.900 0.040 0.000 1.352 107 G CA -0.284 44.678 45.100 -0.231 0.000 0.879 107 G HN 0.917 nan 8.290 nan 0.000 0.567 108 G N -0.898 107.938 108.800 0.060 0.000 3.008 108 G HA2 0.451 4.411 3.960 0.000 0.000 0.272 108 G HA3 0.451 4.411 3.960 0.000 0.000 0.272 108 G C 0.771 175.968 174.900 0.496 0.000 0.764 108 G CA 0.704 45.956 45.100 0.253 0.000 2.029 108 G HN 0.684 nan 8.290 nan 0.000 0.587 109 F N 1.307 121.448 119.950 0.318 0.000 2.186 109 F HA -0.065 4.462 4.527 -0.000 0.000 0.299 109 F C 2.163 178.143 175.800 0.300 0.000 1.090 109 F CA 1.669 59.848 58.000 0.298 0.000 1.307 109 F CB 0.103 39.186 39.000 0.139 0.000 1.019 109 F HN 0.508 nan 8.300 nan 0.000 0.489 110 D N -0.782 119.814 120.400 0.326 0.000 2.104 110 D HA -0.298 4.342 4.640 0.000 0.000 0.194 110 D C 2.249 178.664 176.300 0.192 0.000 0.994 110 D CA 1.490 55.646 54.000 0.260 0.000 0.830 110 D CB -0.458 40.497 40.800 0.258 0.000 0.959 110 D HN 0.234 nan 8.370 nan 0.000 0.452 111 F N 0.643 120.651 119.950 0.096 0.000 2.069 111 F HA -0.182 4.345 4.527 0.000 0.000 0.298 111 F C 2.554 178.364 175.800 0.016 0.000 1.113 111 F CA 1.873 59.908 58.000 0.060 0.000 1.214 111 F CB -0.969 38.076 39.000 0.076 0.000 0.978 111 F HN -0.027 nan 8.300 nan 0.000 0.474 112 T N -1.471 113.257 114.554 0.289 0.000 2.867 112 T HA -0.248 4.102 4.350 0.000 0.000 0.268 112 T C 2.039 176.830 174.700 0.150 0.000 1.057 112 T CA 1.663 63.792 62.100 0.048 0.000 1.136 112 T CB -0.654 67.947 68.868 -0.446 0.000 0.874 112 T HN 0.610 nan 8.240 nan 0.000 0.466 113 H N 0.139 119.171 119.070 -0.063 0.000 2.321 113 H HA -0.021 4.535 4.556 0.000 0.000 0.300 113 H C 2.573 177.978 175.328 0.128 0.000 1.087 113 H CA 1.116 57.244 56.048 0.134 0.000 1.319 113 H CB 0.130 29.946 29.762 0.090 0.000 1.379 113 H HN 0.258 nan 8.280 nan 0.000 0.501 114 R N 0.166 120.668 120.500 0.005 0.000 2.105 114 R HA -0.112 4.228 4.340 0.000 0.000 0.239 114 R C 2.284 178.537 176.300 -0.079 0.000 1.135 114 R CA 1.417 57.431 56.100 -0.144 0.000 0.967 114 R CB 0.045 30.197 30.300 -0.247 0.000 0.861 114 R HN 0.458 nan 8.270 nan 0.000 0.442 115 E N -0.002 120.159 120.200 -0.064 0.000 2.107 115 E HA -0.124 4.226 4.350 0.000 0.000 0.191 115 E C 1.807 178.389 176.600 -0.029 0.000 0.982 115 E CA 1.005 57.349 56.400 -0.095 0.000 0.809 115 E CB -0.170 29.455 29.700 -0.124 0.000 0.756 115 E HN 0.271 nan 8.360 nan 0.000 0.459 116 F N 1.229 121.204 119.950 0.041 0.000 2.171 116 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 116 F C 2.633 178.540 175.800 0.178 0.000 1.090 116 F CA 1.152 59.238 58.000 0.143 0.000 1.293 116 F CB -0.144 38.955 39.000 0.165 0.000 1.013 116 F HN -0.042 nan 8.300 nan 0.000 0.486 117 R N 0.812 121.485 120.500 0.288 0.000 2.070 117 R HA -0.157 4.183 4.340 0.000 0.000 0.233 117 R C 2.197 178.557 176.300 0.101 0.000 1.137 117 R CA 1.556 57.754 56.100 0.162 0.000 0.945 117 R CB -0.202 30.117 30.300 0.032 0.000 0.845 117 R HN 0.201 nan 8.270 nan 0.000 0.430 118 K N 0.645 121.058 120.400 0.022 0.000 2.032 118 K HA -0.182 4.138 4.320 0.000 0.000 0.209 118 K C 2.209 178.773 176.600 -0.059 0.000 1.048 118 K CA 1.416 57.683 56.287 -0.033 0.000 0.927 118 K CB -0.322 32.131 32.500 -0.078 0.000 0.712 118 K HN 0.251 nan 8.250 nan 0.000 0.441 119 L N -0.347 120.817 121.223 -0.098 0.000 2.012 119 L HA -0.203 4.137 4.340 0.000 0.000 0.210 119 L C 1.791 178.444 176.870 -0.361 0.000 1.073 119 L CA 1.728 56.401 54.840 -0.279 0.000 0.748 119 L CB -0.184 41.631 42.059 -0.406 0.000 0.891 119 L HN 0.355 nan 8.230 nan 0.000 0.431 120 W N -1.776 119.521 121.300 -0.004 0.000 3.003 120 W HA 0.017 4.677 4.660 -0.000 0.000 0.257 120 W C 2.700 179.208 176.519 -0.018 0.000 1.308 120 W CA 0.490 57.832 57.345 -0.006 0.000 1.529 120 W CB 0.018 29.480 29.460 0.003 0.000 1.115 120 W HN 0.070 nan 8.180 nan 0.000 0.659 121 S N -0.248 115.528 115.700 0.126 0.000 2.444 121 S HA -0.060 4.410 4.470 0.000 0.000 0.223 121 S C 1.785 176.393 174.600 0.014 0.000 1.054 121 S CA 0.946 59.188 58.200 0.069 0.000 0.947 121 S CB 0.051 63.278 63.200 0.045 0.000 0.850 121 S HN -0.004 nan 8.310 nan 0.000 0.527 122 E N 0.182 120.368 120.200 -0.023 0.000 2.206 122 E HA 0.383 4.733 4.350 0.000 0.000 0.195 122 E C 1.053 177.609 176.600 -0.073 0.000 0.935 122 E CA 0.749 57.123 56.400 -0.044 0.000 0.875 122 E CB 0.315 29.984 29.700 -0.051 0.000 0.841 122 E HN 0.520 nan 8.360 nan 0.000 0.477 123 G N 0.999 109.728 108.800 -0.117 0.000 2.339 123 G HA2 -0.039 3.921 3.960 0.000 0.000 0.381 123 G HA3 -0.039 3.921 3.960 0.000 0.000 0.381 123 G C -2.450 172.336 174.900 -0.190 0.000 1.400 123 G CA -0.319 44.683 45.100 -0.163 0.000 1.002 123 G HN -0.206 nan 8.290 nan 0.000 0.633 124 P HA -0.108 nan 4.420 nan 0.000 0.219 124 P C 1.335 178.545 177.300 -0.150 0.000 1.146 124 P CA 1.217 64.194 63.100 -0.205 0.000 0.808 124 P CB 0.117 31.697 31.700 -0.200 0.000 0.779 125 K N 0.336 120.662 120.400 -0.124 0.000 2.362 125 K HA -0.031 4.289 4.320 0.000 0.000 0.200 125 K C 2.116 178.657 176.600 -0.097 0.000 1.046 125 K CA 1.486 57.713 56.287 -0.100 0.000 0.952 125 K CB -0.270 32.181 32.500 -0.082 0.000 0.753 125 K HN 0.254 nan 8.250 nan 0.000 0.466 126 S N -0.074 115.563 115.700 -0.105 0.000 2.593 126 S HA 0.050 4.520 4.470 0.000 0.000 0.217 126 S C 0.713 175.249 174.600 -0.107 0.000 0.966 126 S CA -0.489 57.654 58.200 -0.096 0.000 0.914 126 S CB -0.047 63.101 63.200 -0.087 0.000 0.776 126 S HN -0.123 nan 8.310 nan 0.000 0.523 127 V N 3.111 122.952 119.914 -0.123 0.000 2.529 127 V HA 0.196 4.316 4.120 0.000 0.000 0.292 127 V C 0.956 176.982 176.094 -0.114 0.000 1.028 127 V CA -0.169 62.056 62.300 -0.126 0.000 1.074 127 V CB 0.745 32.480 31.823 -0.146 0.000 0.958 127 V HN 0.552 nan 8.190 nan 0.000 0.481 128 S N 3.578 119.221 115.700 -0.094 0.000 2.566 128 S HA 0.045 4.515 4.470 0.000 0.000 0.280 128 S C 1.157 175.653 174.600 -0.173 0.000 1.343 128 S CA -0.108 58.032 58.200 -0.100 0.000 1.036 128 S CB 1.159 64.388 63.200 0.047 0.000 0.866 128 S HN 0.973 nan 8.310 nan 0.000 0.526 129 V N 2.953 122.643 119.914 -0.374 0.000 3.510 129 V HA 0.133 4.253 4.120 0.000 0.000 0.270 129 V C 0.749 176.605 176.094 -0.397 0.000 1.201 129 V CA 0.863 62.928 62.300 -0.392 0.000 1.166 129 V CB -1.477 30.078 31.823 -0.447 0.000 0.825 129 V HN 0.897 nan 8.190 nan 0.000 0.484 130 Y N 0.173 120.414 120.300 -0.098 0.000 2.442 130 Y HA 0.360 4.910 4.550 -0.000 0.000 0.250 130 Y C 2.241 177.728 175.900 -0.688 0.000 1.113 130 Y CA 0.057 57.822 58.100 -0.558 0.000 1.273 130 Y CB -0.194 37.967 38.460 -0.499 0.000 1.138 130 Y HN 0.344 nan 8.280 nan 0.000 0.522 131 E N 1.362 121.511 120.200 -0.086 0.000 2.219 131 E HA -0.188 4.162 4.350 0.000 0.000 0.198 131 E C 1.994 178.513 176.600 -0.135 0.000 0.998 131 E CA 1.719 58.113 56.400 -0.010 0.000 0.818 131 E CB -0.208 29.525 29.700 0.055 0.000 0.741 131 E HN 0.358 nan 8.360 nan 0.000 0.477 132 S N -0.892 114.711 115.700 -0.162 0.000 2.447 132 S HA -0.113 4.357 4.470 0.000 0.000 0.233 132 S C 1.503 175.976 174.600 -0.211 0.000 1.006 132 S CA 0.939 59.070 58.200 -0.114 0.000 0.957 132 S CB -0.604 62.578 63.200 -0.030 0.000 0.773 132 S HN 0.519 nan 8.310 nan 0.000 0.507 133 F N -1.684 118.113 119.950 -0.254 0.000 2.925 133 F HA 0.789 5.316 4.527 0.000 0.000 0.355 133 F C 1.636 177.435 175.800 -0.002 0.000 1.073 133 F CA -0.463 57.293 58.000 -0.406 0.000 1.127 133 F CB -0.087 38.752 39.000 -0.268 0.000 1.123 133 F HN 0.148 nan 8.300 nan 0.000 0.551 134 A N 0.237 122.704 122.820 -0.589 0.000 2.016 134 A HA 0.020 4.340 4.320 0.000 0.000 0.217 134 A C 1.828 179.296 177.584 -0.192 0.000 1.162 134 A CA 1.266 52.946 52.037 -0.594 0.000 0.662 134 A CB -0.978 17.061 19.000 -1.601 0.000 0.812 134 A HN 0.722 nan 8.150 nan 0.000 0.450 135 W N 0.979 122.171 121.300 -0.181 0.000 2.601 135 W HA 0.237 4.897 4.660 0.000 0.000 0.292 135 W C 0.509 177.000 176.519 -0.046 0.000 1.153 135 W CA 0.197 57.502 57.345 -0.068 0.000 1.448 135 W CB -0.568 28.870 29.460 -0.037 0.000 1.113 135 W HN 0.266 nan 8.180 nan 0.000 0.548 136 F N 1.163 120.720 119.950 -0.654 0.000 2.637 136 F HA -0.072 4.455 4.527 -0.000 0.000 0.372 136 F C 0.729 176.016 175.800 -0.855 0.000 1.107 136 F CA -0.862 56.531 58.000 -1.012 0.000 1.325 136 F CB -0.958 37.812 39.000 -0.384 0.000 1.016 136 F HN 0.122 nan 8.300 nan 0.000 0.593 137 Y N 2.422 122.329 120.300 -0.654 0.000 2.365 137 Y HA -0.094 4.456 4.550 0.000 0.000 0.287 137 Y C 2.374 177.900 175.900 -0.623 0.000 1.162 137 Y CA 1.722 59.493 58.100 -0.549 0.000 1.260 137 Y CB -1.084 37.138 38.460 -0.396 0.000 0.976 137 Y HN 0.775 nan 8.280 nan 0.000 0.548 138 A N -0.651 121.624 122.820 -0.908 0.000 2.208 138 A HA 0.020 4.340 4.320 0.000 0.000 0.209 138 A C 2.322 179.411 177.584 -0.824 0.000 1.161 138 A CA 0.728 52.278 52.037 -0.812 0.000 0.782 138 A CB -0.941 17.624 19.000 -0.726 0.000 0.816 138 A HN 0.312 nan 8.150 nan 0.000 0.477 139 V N 1.109 120.423 119.914 -0.999 0.000 2.278 139 V HA -0.345 3.775 4.120 0.000 0.000 0.251 139 V C 2.093 178.089 176.094 -0.164 0.000 1.062 139 V CA 2.844 64.933 62.300 -0.353 0.000 1.038 139 V CB -0.668 31.095 31.823 -0.099 0.000 0.646 139 V HN 0.673 nan 8.190 nan 0.000 0.447 140 N N -0.424 118.166 118.700 -0.184 0.000 2.188 140 N HA -0.106 4.634 4.740 0.000 0.000 0.184 140 N C 1.824 177.274 175.510 -0.100 0.000 1.018 140 N CA 1.896 54.877 53.050 -0.115 0.000 0.858 140 N CB -0.773 37.648 38.487 -0.110 0.000 0.989 140 N HN 0.539 nan 8.380 nan 0.000 0.426 141 T N 0.217 114.692 114.554 -0.132 0.000 2.708 141 T HA -0.064 4.286 4.350 0.000 0.000 0.266 141 T C 1.951 176.610 174.700 -0.068 0.000 1.037 141 T CA 1.496 63.536 62.100 -0.100 0.000 1.146 141 T CB -0.707 68.087 68.868 -0.123 0.000 0.865 141 T HN 0.387 nan 8.240 nan 0.000 0.435 142 G N 1.036 109.792 108.800 -0.074 0.000 2.418 142 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 142 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 142 G C 1.627 176.508 174.900 -0.031 0.000 1.158 142 G CA 0.500 45.583 45.100 -0.028 0.000 0.771 142 G HN 0.368 nan 8.290 nan 0.000 0.545 143 Q N -0.009 119.773 119.800 -0.029 0.000 2.083 143 Q HA 0.080 4.420 4.340 0.000 0.000 0.198 143 Q C 2.745 178.718 176.000 -0.046 0.000 0.969 143 Q CA 0.614 56.395 55.803 -0.037 0.000 0.838 143 Q CB -0.155 28.574 28.738 -0.016 0.000 0.900 143 Q HN 0.557 nan 8.270 nan 0.000 0.436 144 I N 0.575 121.132 120.570 -0.021 0.000 2.315 144 I HA -0.250 3.920 4.170 0.000 0.000 0.248 144 I C 2.650 178.803 176.117 0.059 0.000 1.117 144 I CA 0.955 62.278 61.300 0.039 0.000 1.404 144 I CB -0.286 37.741 38.000 0.045 0.000 1.071 144 I HN 0.146 nan 8.210 nan 0.000 0.419 145 S N 1.453 117.161 115.700 0.013 0.000 2.343 145 S HA -0.183 4.287 4.470 0.000 0.000 0.219 145 S C 2.090 176.680 174.600 -0.016 0.000 1.033 145 S CA 1.452 59.658 58.200 0.010 0.000 1.014 145 S CB -0.353 62.844 63.200 -0.006 0.000 0.915 145 S HN 0.338 nan 8.310 nan 0.000 0.435 146 I N 1.165 121.705 120.570 -0.050 0.000 2.163 146 I HA -0.167 4.003 4.170 0.000 0.000 0.243 146 I C 2.942 178.991 176.117 -0.113 0.000 1.085 146 I CA 1.566 62.821 61.300 -0.076 0.000 1.347 146 I CB -0.432 37.514 38.000 -0.091 0.000 1.044 146 I HN 0.336 nan 8.210 nan 0.000 0.408 147 R N 0.079 120.473 120.500 -0.177 0.000 2.127 147 R HA -0.170 4.170 4.340 0.000 0.000 0.238 147 R C 1.724 177.757 176.300 -0.444 0.000 1.134 147 R CA 1.399 57.297 56.100 -0.337 0.000 0.975 147 R CB -0.075 29.937 30.300 -0.479 0.000 0.865 147 R HN 0.490 nan 8.270 nan 0.000 0.447 148 H N -1.936 117.113 119.070 -0.034 0.000 2.652 148 H HA 0.194 4.750 4.556 0.000 0.000 0.274 148 H C 0.750 176.056 175.328 -0.037 0.000 1.021 148 H CA 0.650 56.680 56.048 -0.031 0.000 1.187 148 H CB 1.229 30.974 29.762 -0.027 0.000 1.505 148 H HN 0.464 nan 8.280 nan 0.000 0.530 149 G N 1.957 110.769 108.800 0.020 0.000 2.221 149 G HA2 -0.293 3.667 3.960 0.000 0.000 0.265 149 G HA3 -0.293 3.667 3.960 0.000 0.000 0.265 149 G C 0.185 175.076 174.900 -0.015 0.000 1.041 149 G CA 0.068 45.159 45.100 -0.015 0.000 0.807 149 G HN 0.251 nan 8.290 nan 0.000 0.502 150 M N -0.379 119.229 119.600 0.014 0.000 2.105 150 M HA 0.389 4.869 4.480 0.000 0.000 0.350 150 M C 1.369 177.671 176.300 0.004 0.000 1.308 150 M CA -0.084 55.222 55.300 0.011 0.000 1.108 150 M CB 0.977 33.596 32.600 0.032 0.000 1.622 150 M HN 0.178 nan 8.290 nan 0.000 0.468 151 R N 1.546 122.046 120.500 0.000 0.000 2.476 151 R HA 0.227 4.567 4.340 0.000 0.000 0.276 151 R C 0.960 177.366 176.300 0.177 0.000 0.941 151 R CA -0.350 55.779 56.100 0.047 0.000 1.088 151 R CB 0.740 30.994 30.300 -0.077 0.000 1.216 151 R HN 0.857 nan 8.270 nan 0.000 0.533 152 G N 2.295 111.181 108.800 0.143 0.000 2.653 152 G HA2 0.198 4.158 3.960 0.000 0.000 0.265 152 G HA3 0.198 4.158 3.960 0.000 0.000 0.265 152 G C -2.347 172.607 174.900 0.089 0.000 1.237 152 G CA -0.950 44.235 45.100 0.142 0.000 0.946 152 G HN -0.121 nan 8.290 nan 0.000 0.522 153 P HA 0.172 nan 4.420 nan 0.000 0.261 153 P C -0.468 176.866 177.300 0.057 0.000 1.183 153 P CA 0.424 63.557 63.100 0.055 0.000 0.761 153 P CB 0.830 32.559 31.700 0.048 0.000 0.785 154 S N 1.244 116.970 115.700 0.044 0.000 2.661 154 S HA 0.799 5.269 4.470 0.000 0.000 0.285 154 S C -0.652 173.935 174.600 -0.022 0.000 1.138 154 S CA -0.541 57.665 58.200 0.010 0.000 0.855 154 S CB 2.100 65.297 63.200 -0.004 0.000 1.136 154 S HN 0.447 nan 8.310 nan 0.000 0.484 155 S N -0.620 115.017 115.700 -0.104 0.000 2.636 155 S HA 0.802 5.272 4.470 0.000 0.000 0.268 155 S C -2.110 172.362 174.600 -0.213 0.000 1.159 155 S CA -0.213 57.882 58.200 -0.175 0.000 0.815 155 S CB 1.262 64.269 63.200 -0.321 0.000 1.130 155 S HN 1.274 nan 8.310 nan 0.000 0.471 156 A N 1.665 124.359 122.820 -0.210 0.000 2.427 156 A HA 0.798 5.118 4.320 0.000 0.000 0.298 156 A C -1.727 175.743 177.584 -0.190 0.000 1.036 156 A CA -0.485 51.433 52.037 -0.200 0.000 0.701 156 A CB 0.840 19.720 19.000 -0.199 0.000 1.250 156 A HN 0.685 nan 8.150 nan 0.000 0.412 157 L N 1.605 122.716 121.223 -0.187 0.000 2.341 157 L HA 0.828 5.168 4.340 0.000 0.000 0.267 157 L C -0.895 175.868 176.870 -0.178 0.000 1.009 157 L CA -1.225 53.514 54.840 -0.169 0.000 0.819 157 L CB 2.301 44.267 42.059 -0.154 0.000 1.323 157 L HN 0.425 nan 8.230 nan 0.000 0.425 158 V N 1.032 120.820 119.914 -0.211 0.000 2.577 158 V HA 0.762 4.882 4.120 0.000 0.000 0.303 158 V C -0.023 175.865 176.094 -0.344 0.000 1.042 158 V CA -0.271 61.863 62.300 -0.277 0.000 0.872 158 V CB 1.560 33.157 31.823 -0.377 0.000 0.998 158 V HN 0.887 nan 8.190 nan 0.000 0.423 159 A N 3.073 125.633 122.820 -0.433 0.000 3.076 159 A HA 0.475 4.795 4.320 0.000 0.000 0.192 159 A C 0.315 177.526 177.584 -0.622 0.000 1.076 159 A CA 0.335 51.870 52.037 -0.836 0.000 1.235 159 A CB -0.048 18.543 19.000 -0.682 0.000 1.249 159 A HN 0.899 nan 8.150 nan 0.000 0.622 160 E N -0.527 119.449 120.200 -0.373 0.000 3.401 160 E HA -0.399 3.951 4.350 0.000 0.000 0.352 160 E C 1.081 177.634 176.600 -0.079 0.000 1.523 160 E CA 2.059 58.355 56.400 -0.173 0.000 1.794 160 E CB -0.819 28.807 29.700 -0.123 0.000 1.792 160 E HN 0.690 nan 8.360 nan 0.000 0.471 161 Q N 0.076 119.863 119.800 -0.022 0.000 2.436 161 Q HA 0.092 4.432 4.340 0.000 0.000 0.209 161 Q C 1.707 177.682 176.000 -0.043 0.000 0.965 161 Q CA 1.514 57.297 55.803 -0.033 0.000 0.910 161 Q CB -0.116 28.564 28.738 -0.096 0.000 0.980 161 Q HN 0.440 nan 8.270 nan 0.000 0.491 162 A N -0.621 122.170 122.820 -0.048 0.000 2.123 162 A HA 0.119 4.439 4.320 0.000 0.000 0.214 162 A C 2.032 179.593 177.584 -0.039 0.000 1.152 162 A CA 0.784 52.819 52.037 -0.003 0.000 0.728 162 A CB -0.640 18.417 19.000 0.094 0.000 0.814 162 A HN 0.528 nan 8.150 nan 0.000 0.464 163 G N 0.322 109.058 108.800 -0.106 0.000 2.446 163 G HA2 -0.074 3.886 3.960 0.000 0.000 0.217 163 G HA3 -0.074 3.886 3.960 0.000 0.000 0.217 163 G C 1.555 176.414 174.900 -0.067 0.000 1.168 163 G CA 1.261 46.295 45.100 -0.110 0.000 0.771 163 G HN 0.638 nan 8.290 nan 0.000 0.551 164 G N 0.655 109.421 108.800 -0.056 0.000 2.476 164 G HA2 -0.186 3.774 3.960 0.000 0.000 0.218 164 G HA3 -0.186 3.774 3.960 0.000 0.000 0.218 164 G C 1.743 176.622 174.900 -0.035 0.000 1.164 164 G CA 1.051 46.122 45.100 -0.049 0.000 0.768 164 G HN 0.353 nan 8.290 nan 0.000 0.560 165 L N 0.712 121.924 121.223 -0.018 0.000 2.093 165 L HA 0.042 4.382 4.340 0.000 0.000 0.208 165 L C 2.282 179.159 176.870 0.012 0.000 1.085 165 L CA 1.579 56.418 54.840 -0.002 0.000 0.755 165 L CB -0.367 41.702 42.059 0.015 0.000 0.904 165 L HN 0.097 nan 8.230 nan 0.000 0.435 166 D N -0.713 119.697 120.400 0.016 0.000 2.144 166 D HA -0.129 4.511 4.640 0.000 0.000 0.199 166 D C 2.214 178.539 176.300 0.041 0.000 0.984 166 D CA 1.301 55.323 54.000 0.038 0.000 0.834 166 D CB -0.050 40.773 40.800 0.039 0.000 0.955 166 D HN 0.364 nan 8.370 nan 0.000 0.465 167 A N 0.606 123.424 122.820 -0.004 0.000 1.902 167 A HA -0.142 4.178 4.320 0.000 0.000 0.217 167 A C 2.055 179.650 177.584 0.019 0.000 1.181 167 A CA 0.881 52.903 52.037 -0.024 0.000 0.623 167 A CB -0.573 18.382 19.000 -0.075 0.000 0.818 167 A HN 0.139 nan 8.150 nan 0.000 0.443 168 L N -0.096 121.129 121.223 0.004 0.000 2.131 168 L HA -0.079 4.261 4.340 0.000 0.000 0.210 168 L C 2.629 179.516 176.870 0.028 0.000 1.092 168 L CA 1.782 56.624 54.840 0.003 0.000 0.759 168 L CB -1.417 40.633 42.059 -0.016 0.000 0.903 168 L HN 0.413 nan 8.230 nan 0.000 0.435 169 G N -2.450 106.377 108.800 0.044 0.000 2.403 169 G HA2 -0.300 3.660 3.960 0.000 0.000 0.216 169 G HA3 -0.300 3.660 3.960 0.000 0.000 0.216 169 G C 1.618 176.557 174.900 0.065 0.000 1.154 169 G CA 0.811 45.938 45.100 0.046 0.000 0.784 169 G HN 0.511 nan 8.290 nan 0.000 0.538 170 H N 0.585 119.647 119.070 -0.012 0.000 2.389 170 H HA 0.151 4.708 4.556 0.000 0.000 0.299 170 H C 2.700 178.018 175.328 -0.016 0.000 1.081 170 H CA 1.448 57.488 56.048 -0.014 0.000 1.345 170 H CB 0.076 29.826 29.762 -0.019 0.000 1.393 170 H HN 0.310 nan 8.280 nan 0.000 0.520 171 A N 0.783 123.703 122.820 0.166 0.000 1.930 171 A HA -0.167 4.153 4.320 0.000 0.000 0.217 171 A C 2.349 179.956 177.584 0.038 0.000 1.175 171 A CA 1.515 53.607 52.037 0.092 0.000 0.627 171 A CB -0.610 18.414 19.000 0.039 0.000 0.815 171 A HN 0.522 nan 8.150 nan 0.000 0.443 172 R N -0.357 120.156 120.500 0.023 0.000 2.073 172 R HA -0.136 4.204 4.340 0.000 0.000 0.234 172 R C 2.399 178.693 176.300 -0.010 0.000 1.134 172 R CA 1.692 57.794 56.100 0.003 0.000 0.952 172 R CB -0.356 29.946 30.300 0.004 0.000 0.850 172 R HN 0.508 nan 8.270 nan 0.000 0.433 173 R N -0.292 120.190 120.500 -0.029 0.000 2.083 173 R HA -0.122 4.218 4.340 0.000 0.000 0.237 173 R C 1.813 178.077 176.300 -0.061 0.000 1.137 173 R CA 2.288 58.349 56.100 -0.065 0.000 0.951 173 R CB -0.427 29.792 30.300 -0.135 0.000 0.851 173 R HN 0.284 nan 8.270 nan 0.000 0.434 174 T N 1.187 115.712 114.554 -0.048 0.000 2.746 174 T HA -0.116 4.234 4.350 0.000 0.000 0.267 174 T C 1.830 176.526 174.700 -0.006 0.000 1.039 174 T CA 1.590 63.679 62.100 -0.018 0.000 1.142 174 T CB -0.138 68.755 68.868 0.041 0.000 0.866 174 T HN 0.218 nan 8.240 nan 0.000 0.444 175 I N 0.705 121.274 120.570 -0.002 0.000 2.179 175 I HA -0.188 3.982 4.170 0.000 0.000 0.242 175 I C 2.714 178.827 176.117 -0.007 0.000 1.088 175 I CA 1.373 62.672 61.300 -0.002 0.000 1.357 175 I CB -0.327 37.671 38.000 -0.003 0.000 1.051 175 I HN 0.131 nan 8.210 nan 0.000 0.409 176 R N 0.457 120.950 120.500 -0.011 0.000 2.152 176 R HA -0.102 4.238 4.340 0.000 0.000 0.232 176 R C 2.132 178.423 176.300 -0.014 0.000 1.117 176 R CA 0.978 57.071 56.100 -0.012 0.000 0.981 176 R CB -0.231 30.061 30.300 -0.014 0.000 0.870 176 R HN 0.359 nan 8.270 nan 0.000 0.451 177 R N -0.835 119.653 120.500 -0.019 0.000 2.299 177 R HA 0.078 4.418 4.340 0.000 0.000 0.197 177 R C 0.889 177.180 176.300 -0.014 0.000 0.971 177 R CA 0.738 56.825 56.100 -0.020 0.000 1.030 177 R CB 0.728 31.010 30.300 -0.029 0.000 0.932 177 R HN 0.437 nan 8.270 nan 0.000 0.477 178 G N -0.199 108.596 108.800 -0.008 0.000 2.613 178 G HA2 -0.164 3.796 3.960 0.000 0.000 0.199 178 G HA3 -0.164 3.796 3.960 0.000 0.000 0.199 178 G C 0.075 174.977 174.900 0.003 0.000 0.991 178 G CA -0.628 44.470 45.100 -0.004 0.000 0.756 178 G HN 0.182 nan 8.290 nan 0.000 0.515 179 T N 3.071 117.629 114.554 0.006 0.000 2.738 179 T HA 0.477 4.827 4.350 0.000 0.000 0.298 179 T C -1.213 173.492 174.700 0.009 0.000 0.962 179 T CA -0.912 61.197 62.100 0.016 0.000 0.972 179 T CB 2.211 71.093 68.868 0.023 0.000 0.928 179 T HN -0.044 nan 8.240 nan 0.000 0.474 180 P HA 0.029 nan 4.420 nan 0.000 0.218 180 P C 0.111 177.406 177.300 -0.008 0.000 1.148 180 P CA 0.630 63.729 63.100 -0.001 0.000 0.822 180 P CB 0.371 32.071 31.700 -0.000 0.000 0.784 181 L N -1.506 119.714 121.223 -0.005 0.000 2.422 181 L HA 0.580 4.920 4.340 0.000 0.000 0.264 181 L C -1.669 175.195 176.870 -0.010 0.000 0.984 181 L CA -1.004 53.827 54.840 -0.015 0.000 0.819 181 L CB 2.403 44.448 42.059 -0.024 0.000 1.330 181 L HN -0.467 nan 8.230 nan 0.000 0.410 182 V N 4.592 124.496 119.914 -0.017 0.000 2.668 182 V HA 0.361 4.481 4.120 0.000 0.000 0.304 182 V C -0.535 175.540 176.094 -0.031 0.000 1.071 182 V CA -0.653 61.639 62.300 -0.013 0.000 0.894 182 V CB 2.127 33.952 31.823 0.003 0.000 1.008 182 V HN 0.479 nan 8.190 nan 0.000 0.425 183 V N 3.667 123.558 119.914 -0.038 0.000 2.461 183 V HA 0.664 4.784 4.120 0.000 0.000 0.275 183 V C 0.333 176.395 176.094 -0.052 0.000 1.047 183 V CA 0.314 62.580 62.300 -0.056 0.000 0.955 183 V CB 1.482 33.266 31.823 -0.065 0.000 0.988 183 V HN 0.925 nan 8.190 nan 0.000 0.471 184 S N 2.795 118.459 115.700 -0.060 0.000 2.588 184 S HA 0.957 5.427 4.470 0.000 0.000 0.275 184 S C -0.178 174.378 174.600 -0.073 0.000 1.130 184 S CA 0.370 58.533 58.200 -0.061 0.000 0.855 184 S CB 1.944 65.117 63.200 -0.045 0.000 1.116 184 S HN 1.476 nan 8.310 nan 0.000 0.472 185 G N 0.840 109.595 108.800 -0.076 0.000 2.334 185 G HA2 0.474 4.434 3.960 0.000 0.000 0.249 185 G HA3 0.474 4.434 3.960 0.000 0.000 0.249 185 G C -0.279 174.572 174.900 -0.081 0.000 1.327 185 G CA 0.086 45.138 45.100 -0.080 0.000 0.979 185 G HN 1.700 nan 8.290 nan 0.000 0.471 186 G N -2.072 106.679 108.800 -0.081 0.000 2.579 186 G HA2 0.695 4.655 3.960 0.000 0.000 0.292 186 G HA3 0.695 4.655 3.960 0.000 0.000 0.292 186 G C -1.930 172.929 174.900 -0.069 0.000 1.484 186 G CA 0.404 45.461 45.100 -0.073 0.000 0.813 186 G HN 1.589 nan 8.290 nan 0.000 0.515 187 V N 0.751 120.630 119.914 -0.057 0.000 2.932 187 V HA 0.657 4.777 4.120 0.000 0.000 0.307 187 V C -1.295 174.795 176.094 -0.006 0.000 1.147 187 V CA -0.842 61.429 62.300 -0.048 0.000 0.951 187 V CB 2.338 34.111 31.823 -0.085 0.000 1.031 187 V HN 0.832 nan 8.190 nan 0.000 0.426 188 D N 1.090 121.514 120.400 0.040 0.000 2.552 188 D HA 0.720 5.360 4.640 0.000 0.000 0.239 188 D C -1.277 175.095 176.300 0.120 0.000 1.139 188 D CA -0.229 53.826 54.000 0.092 0.000 0.914 188 D CB 2.531 43.438 40.800 0.178 0.000 1.461 188 D HN 0.568 nan 8.370 nan 0.000 0.462 189 S N -0.281 115.504 115.700 0.142 0.000 2.582 189 S HA 0.573 5.043 4.470 0.000 0.000 0.287 189 S C -1.857 172.869 174.600 0.209 0.000 1.146 189 S CA -0.415 57.891 58.200 0.176 0.000 0.941 189 S CB 1.026 64.313 63.200 0.144 0.000 1.115 189 S HN 0.515 nan 8.310 nan 0.000 0.458 190 A N 5.171 128.139 122.820 0.247 0.000 3.453 190 A HA 0.491 4.811 4.320 0.000 0.000 0.262 190 A C -0.560 177.246 177.584 0.370 0.000 1.026 190 A CA -0.278 51.919 52.037 0.267 0.000 0.938 190 A CB -0.080 18.973 19.000 0.089 0.000 1.246 190 A HN 0.764 nan 8.150 nan 0.000 0.546 191 L N 1.935 123.384 121.223 0.377 0.000 3.096 191 L HA 0.265 4.605 4.340 0.000 0.000 0.247 191 L C -0.309 176.875 176.870 0.524 0.000 1.321 191 L CA -0.283 54.817 54.840 0.434 0.000 1.044 191 L CB -0.109 42.109 42.059 0.265 0.000 1.434 191 L HN 0.711 nan 8.230 nan 0.000 0.533 192 D N -2.167 118.528 120.400 0.491 0.000 2.340 192 D HA 0.331 4.971 4.640 0.000 0.000 0.243 192 D C -2.400 173.939 176.300 0.066 0.000 0.988 192 D CA -1.894 52.333 54.000 0.378 0.000 0.959 192 D CB 2.069 43.121 40.800 0.420 0.000 1.226 192 D HN -0.232 nan 8.370 nan 0.000 0.509 193 P HA -0.145 nan 4.420 nan 0.000 0.216 193 P C 1.055 178.301 177.300 -0.091 0.000 1.157 193 P CA 1.210 63.896 63.100 -0.689 0.000 0.880 193 P CB 0.000 31.491 31.700 -0.350 0.000 0.791 194 W N 0.680 121.924 121.300 -0.093 0.000 2.381 194 W HA 0.046 4.706 4.660 0.000 0.000 0.301 194 W C 2.322 178.874 176.519 0.054 0.000 1.205 194 W CA 1.858 59.131 57.345 -0.120 0.000 1.285 194 W CB -1.462 27.723 29.460 -0.459 0.000 1.133 194 W HN -0.128 nan 8.180 nan 0.000 0.521 195 G N -0.288 108.695 108.800 0.305 0.000 2.443 195 G HA2 -0.293 3.667 3.960 0.000 0.000 0.219 195 G HA3 -0.293 3.667 3.960 0.000 0.000 0.219 195 G C 1.507 176.426 174.900 0.032 0.000 1.131 195 G CA 0.783 45.877 45.100 -0.010 0.000 0.775 195 G HN 0.415 nan 8.290 nan 0.000 0.547 196 W N 0.342 121.621 121.300 -0.034 0.000 2.408 196 W HA -0.065 4.595 4.660 0.000 0.000 0.311 196 W C 2.177 178.612 176.519 -0.140 0.000 1.190 196 W CA 1.005 58.325 57.345 -0.041 0.000 1.321 196 W CB -0.364 29.097 29.460 0.002 0.000 1.143 196 W HN 0.081 nan 8.180 nan 0.000 0.501 197 V N 0.858 120.668 119.914 -0.174 0.000 2.490 197 V HA -0.278 3.842 4.120 0.000 0.000 0.250 197 V C 2.426 178.416 176.094 -0.174 0.000 1.061 197 V CA 2.331 64.502 62.300 -0.214 0.000 1.064 197 V CB -0.577 31.190 31.823 -0.094 0.000 0.670 197 V HN 0.111 nan 8.190 nan 0.000 0.461 198 S N -0.688 114.917 115.700 -0.160 0.000 2.356 198 S HA -0.271 4.199 4.470 0.000 0.000 0.223 198 S C 1.860 176.307 174.600 -0.255 0.000 1.032 198 S CA 1.795 59.860 58.200 -0.226 0.000 1.005 198 S CB -0.272 62.668 63.200 -0.433 0.000 0.867 198 S HN 0.694 nan 8.310 nan 0.000 0.449 199 Q N 0.374 119.987 119.800 -0.311 0.000 2.124 199 Q HA -0.006 4.334 4.340 0.000 0.000 0.202 199 Q C 2.127 177.916 176.000 -0.352 0.000 0.977 199 Q CA 1.141 56.761 55.803 -0.304 0.000 0.850 199 Q CB -0.339 28.200 28.738 -0.331 0.000 0.901 199 Q HN 0.522 nan 8.270 nan 0.000 0.429 200 I N 0.651 120.946 120.570 -0.457 0.000 2.264 200 I HA -0.276 3.894 4.170 0.000 0.000 0.248 200 I C 2.302 178.289 176.117 -0.216 0.000 1.111 200 I CA 0.846 61.919 61.300 -0.379 0.000 1.382 200 I CB -0.404 37.382 38.000 -0.356 0.000 1.060 200 I HN 0.166 nan 8.210 nan 0.000 0.418 201 A N 0.788 123.508 122.820 -0.167 0.000 2.076 201 A HA -0.219 4.101 4.320 0.000 0.000 0.220 201 A C 2.427 179.961 177.584 -0.084 0.000 1.160 201 A CA 1.894 53.874 52.037 -0.094 0.000 0.653 201 A CB -0.734 18.228 19.000 -0.064 0.000 0.801 201 A HN 0.569 nan 8.150 nan 0.000 0.455 202 S N -1.430 114.203 115.700 -0.111 0.000 2.469 202 S HA 0.203 4.673 4.470 0.000 0.000 0.238 202 S C 1.696 176.238 174.600 -0.096 0.000 0.998 202 S CA 1.328 59.472 58.200 -0.094 0.000 0.957 202 S CB -0.787 62.379 63.200 -0.057 0.000 0.764 202 S HN 1.962 nan 8.310 nan 0.000 0.514 203 G N 1.453 110.189 108.800 -0.106 0.000 2.189 203 G HA2 -0.314 3.646 3.960 0.000 0.000 0.267 203 G HA3 -0.314 3.646 3.960 0.000 0.000 0.267 203 G C 0.779 175.620 174.900 -0.098 0.000 0.975 203 G CA 0.477 45.523 45.100 -0.091 0.000 0.644 203 G HN 0.597 nan 8.290 nan 0.000 0.537 204 R N -0.658 119.774 120.500 -0.113 0.000 2.508 204 R HA 0.415 4.755 4.340 0.000 0.000 0.300 204 R C 0.742 176.857 176.300 -0.308 0.000 0.970 204 R CA -0.293 55.753 56.100 -0.091 0.000 1.102 204 R CB 0.554 30.904 30.300 0.084 0.000 1.246 204 R HN 0.438 nan 8.270 nan 0.000 0.539 205 I N 1.045 121.353 120.570 -0.436 0.000 2.395 205 I HA 0.052 4.222 4.170 0.000 0.000 0.289 205 I C 0.680 176.591 176.117 -0.342 0.000 1.023 205 I CA -0.275 60.652 61.300 -0.621 0.000 1.350 205 I CB 1.614 39.238 38.000 -0.626 0.000 1.409 205 I HN -0.001 nan 8.210 nan 0.000 0.507 206 S N 3.349 118.865 115.700 -0.306 0.000 2.549 206 S HA 0.039 4.509 4.470 0.000 0.000 0.286 206 S C 1.078 175.635 174.600 -0.071 0.000 1.314 206 S CA -0.278 57.842 58.200 -0.134 0.000 1.062 206 S CB 0.411 63.562 63.200 -0.081 0.000 0.865 206 S HN 0.787 nan 8.310 nan 0.000 0.498 207 T N 2.344 116.882 114.554 -0.027 0.000 3.145 207 T HA 0.518 4.868 4.350 0.000 0.000 0.255 207 T C 0.585 175.305 174.700 0.034 0.000 1.039 207 T CA 0.033 62.143 62.100 0.017 0.000 0.928 207 T CB -0.093 68.785 68.868 0.017 0.000 1.029 207 T HN 0.739 nan 8.240 nan 0.000 0.554 208 A N 1.775 124.610 122.820 0.025 0.000 2.448 208 A HA 0.484 4.804 4.320 0.000 0.000 0.239 208 A C 1.560 179.169 177.584 0.041 0.000 1.080 208 A CA 0.301 52.356 52.037 0.030 0.000 0.779 208 A CB 0.170 19.186 19.000 0.026 0.000 1.026 208 A HN 0.575 nan 8.150 nan 0.000 0.499 209 T N -2.308 112.268 114.554 0.037 0.000 2.975 209 T HA 0.142 4.492 4.350 0.000 0.000 0.257 209 T C 0.087 174.808 174.700 0.035 0.000 1.003 209 T CA 0.516 62.640 62.100 0.039 0.000 0.932 209 T CB -0.022 68.868 68.868 0.037 0.000 1.087 209 T HN 0.571 nan 8.240 nan 0.000 0.512 210 D N 2.867 123.286 120.400 0.031 0.000 2.347 210 D HA 0.322 4.962 4.640 0.000 0.000 0.235 210 D C -1.836 174.477 176.300 0.022 0.000 1.149 210 D CA -2.523 51.497 54.000 0.033 0.000 0.850 210 D CB 1.912 42.731 40.800 0.032 0.000 1.061 210 D HN -0.008 nan 8.370 nan 0.000 0.487 211 P HA -0.076 nan 4.420 nan 0.000 0.219 211 P C 0.466 177.671 177.300 -0.158 0.000 1.146 211 P CA 0.771 63.848 63.100 -0.039 0.000 0.808 211 P CB 0.411 32.158 31.700 0.078 0.000 0.779 212 D N -1.233 119.178 120.400 0.018 0.000 2.289 212 D HA -0.002 4.638 4.640 0.000 0.000 0.207 212 D C 0.988 177.290 176.300 0.004 0.000 0.966 212 D CA 0.788 54.819 54.000 0.052 0.000 0.868 212 D CB 0.002 40.880 40.800 0.130 0.000 0.943 212 D HN 0.190 nan 8.370 nan 0.000 0.514 213 R N 0.187 120.689 120.500 0.005 0.000 2.881 213 R HA 0.492 4.832 4.340 0.000 0.000 0.331 213 R C 0.107 176.420 176.300 0.022 0.000 1.207 213 R CA -0.132 55.977 56.100 0.015 0.000 1.265 213 R CB 1.337 31.651 30.300 0.024 0.000 1.351 213 R HN -0.013 nan 8.270 nan 0.000 0.613 214 A N 0.173 123.007 122.820 0.023 0.000 1.995 214 A HA 0.067 4.387 4.320 0.000 0.000 0.200 214 A C -0.029 177.632 177.584 0.129 0.000 1.566 214 A CA 0.319 52.386 52.037 0.050 0.000 0.895 214 A CB 0.253 19.270 19.000 0.029 0.000 1.046 214 A HN 0.277 nan 8.150 nan 0.000 0.523 215 Y N 1.688 121.966 120.300 -0.036 0.000 2.594 215 Y HA 0.601 5.151 4.550 -0.000 0.000 0.342 215 Y C -0.707 175.185 175.900 -0.012 0.000 1.010 215 Y CA -1.588 56.504 58.100 -0.013 0.000 1.270 215 Y CB 0.209 38.668 38.460 -0.001 0.000 1.125 215 Y HN 0.150 nan 8.280 nan 0.000 0.513 216 L N 9.242 130.510 121.223 0.077 0.000 2.784 216 L HA 0.307 4.647 4.340 0.000 0.000 0.241 216 L C -2.352 174.477 176.870 -0.068 0.000 1.352 216 L CA -1.765 53.054 54.840 -0.035 0.000 0.911 216 L CB 0.691 42.764 42.059 0.024 0.000 1.227 216 L HN 0.412 nan 8.230 nan 0.000 0.501 217 P HA -0.009 nan 4.420 nan 0.000 0.264 217 P C 0.372 177.563 177.300 -0.181 0.000 1.193 217 P CA 0.518 63.423 63.100 -0.326 0.000 0.763 217 P CB 0.538 31.953 31.700 -0.475 0.000 0.810 218 F N -1.994 117.953 119.950 -0.006 0.000 2.656 218 F HA -0.218 4.309 4.527 0.000 0.000 0.381 218 F C 0.841 176.786 175.800 0.243 0.000 0.603 218 F CA 0.848 58.900 58.000 0.086 0.000 1.335 218 F CB -1.311 37.691 39.000 0.003 0.000 1.836 218 F HN 0.307 nan 8.300 nan 0.000 0.290 219 D N 1.739 122.293 120.400 0.256 0.000 2.283 219 D HA 0.137 4.777 4.640 0.000 0.000 0.248 219 D C 1.178 177.572 176.300 0.157 0.000 1.072 219 D CA 0.438 54.541 54.000 0.172 0.000 0.929 219 D CB 1.041 41.895 40.800 0.089 0.000 1.182 219 D HN 0.536 nan 8.370 nan 0.000 0.433 220 E N 1.910 122.160 120.200 0.084 0.000 2.338 220 E HA -0.126 4.224 4.350 0.000 0.000 0.197 220 E C 0.997 177.624 176.600 0.045 0.000 1.007 220 E CA 0.472 56.896 56.400 0.040 0.000 0.849 220 E CB 0.163 29.858 29.700 -0.010 0.000 0.774 220 E HN 0.168 nan 8.360 nan 0.000 0.506 221 R N 0.979 121.507 120.500 0.048 0.000 2.334 221 R HA 0.292 4.632 4.340 0.000 0.000 0.220 221 R C 0.225 176.553 176.300 0.046 0.000 0.917 221 R CA 0.383 56.506 56.100 0.039 0.000 1.073 221 R CB -0.223 30.096 30.300 0.031 0.000 1.056 221 R HN 0.191 nan 8.270 nan 0.000 0.506 222 A N 1.182 124.040 122.820 0.062 0.000 2.567 222 A HA 0.307 4.627 4.320 0.000 0.000 0.240 222 A C 0.596 178.209 177.584 0.048 0.000 1.053 222 A CA 0.899 52.971 52.037 0.059 0.000 0.755 222 A CB 0.087 19.122 19.000 0.058 0.000 0.978 222 A HN 0.317 nan 8.150 nan 0.000 0.507 223 A N 2.520 125.366 122.820 0.044 0.000 2.897 223 A HA 0.634 4.954 4.320 0.000 0.000 0.230 223 A C 0.631 178.217 177.584 0.003 0.000 0.896 223 A CA 0.678 52.728 52.037 0.022 0.000 1.114 223 A CB -0.414 18.595 19.000 0.016 0.000 1.230 223 A HN 2.856 nan 8.150 nan 0.000 0.481 224 G N -0.476 108.336 108.800 0.020 0.000 2.440 224 G HA2 0.349 4.309 3.960 0.000 0.000 0.684 224 G HA3 0.349 4.309 3.960 0.000 0.000 0.684 224 G C -0.669 174.233 174.900 0.005 0.000 1.309 224 G CA -0.312 44.774 45.100 -0.023 0.000 0.931 224 G HN 1.741 nan 8.290 nan 0.000 0.612 225 Y N -1.294 118.903 120.300 -0.172 0.000 2.488 225 Y HA 0.825 5.375 4.550 0.000 0.000 0.325 225 Y C 0.106 175.751 175.900 -0.425 0.000 1.204 225 Y CA -1.597 56.232 58.100 -0.452 0.000 1.229 225 Y CB 1.605 39.678 38.460 -0.645 0.000 1.274 225 Y HN 0.572 nan 8.280 nan 0.000 0.493 226 V N 3.941 123.570 119.914 -0.474 0.000 2.427 226 V HA 0.406 4.526 4.120 0.000 0.000 0.286 226 V C -2.201 173.838 176.094 -0.092 0.000 1.034 226 V CA -2.160 60.000 62.300 -0.234 0.000 0.893 226 V CB 1.266 33.050 31.823 -0.065 0.000 0.982 226 V HN 0.709 nan 8.190 nan 0.000 0.452 227 P HA 0.480 nan 4.420 nan 0.000 0.274 227 P C -0.091 177.296 177.300 0.144 0.000 1.246 227 P CA 0.038 63.228 63.100 0.150 0.000 0.795 227 P CB 0.906 32.759 31.700 0.254 0.000 1.006 228 G N -0.326 108.540 108.800 0.111 0.000 2.708 228 G HA2 0.625 4.585 3.960 0.000 0.000 0.289 228 G HA3 0.625 4.585 3.960 0.000 0.000 0.289 228 G C -1.757 173.227 174.900 0.140 0.000 1.416 228 G CA -0.709 44.461 45.100 0.116 0.000 0.829 228 G HN 0.549 nan 8.290 nan 0.000 0.480 229 E N -1.110 119.162 120.200 0.120 0.000 2.312 229 E HA 0.776 5.126 4.350 0.000 0.000 0.267 229 E C 0.152 176.781 176.600 0.048 0.000 0.894 229 E CA -0.548 55.918 56.400 0.111 0.000 0.773 229 E CB 2.394 32.166 29.700 0.120 0.000 1.241 229 E HN 1.880 nan 8.360 nan 0.000 0.432 230 G N 0.080 108.887 108.800 0.011 0.000 2.318 230 G HA2 0.400 4.360 3.960 0.000 0.000 0.367 230 G HA3 0.400 4.360 3.960 0.000 0.000 0.367 230 G C 0.041 174.907 174.900 -0.057 0.000 1.260 230 G CA -0.154 44.916 45.100 -0.050 0.000 1.055 230 G HN 1.527 nan 8.290 nan 0.000 0.484 231 G N -1.825 106.919 108.800 -0.094 0.000 2.398 231 G HA2 0.748 4.708 3.960 0.000 0.000 0.251 231 G HA3 0.748 4.708 3.960 0.000 0.000 0.251 231 G C -0.524 174.294 174.900 -0.138 0.000 1.277 231 G CA 1.310 46.349 45.100 -0.102 0.000 0.927 231 G HN 2.765 nan 8.290 nan 0.000 0.477 232 A N -1.057 121.687 122.820 -0.127 0.000 2.606 232 A HA 0.779 5.099 4.320 0.000 0.000 0.293 232 A C -1.532 175.983 177.584 -0.114 0.000 1.082 232 A CA -0.517 51.440 52.037 -0.133 0.000 0.685 232 A CB 1.492 20.393 19.000 -0.166 0.000 1.284 232 A HN 1.168 nan 8.150 nan 0.000 0.408 233 I N 1.592 122.098 120.570 -0.106 0.000 2.608 233 I HA 0.587 4.757 4.170 0.000 0.000 0.295 233 I C -0.610 175.446 176.117 -0.103 0.000 1.049 233 I CA -0.435 60.807 61.300 -0.097 0.000 1.063 233 I CB 1.442 39.390 38.000 -0.087 0.000 1.248 233 I HN 0.718 nan 8.210 nan 0.000 0.424 234 L N 4.287 125.447 121.223 -0.104 0.000 2.350 234 L HA 0.770 5.110 4.340 0.000 0.000 0.260 234 L C -0.760 176.056 176.870 -0.090 0.000 1.015 234 L CA -1.175 53.596 54.840 -0.116 0.000 0.821 234 L CB 2.028 44.002 42.059 -0.143 0.000 1.370 234 L HN 0.061 nan 8.230 nan 0.000 0.416 235 V N 3.173 123.037 119.914 -0.084 0.000 2.370 235 V HA 0.454 4.574 4.120 0.000 0.000 0.279 235 V C 0.134 176.192 176.094 -0.060 0.000 1.029 235 V CA -0.263 61.997 62.300 -0.067 0.000 0.870 235 V CB 1.453 33.240 31.823 -0.059 0.000 0.984 235 V HN 0.472 nan 8.190 nan 0.000 0.451 236 L N 5.612 126.805 121.223 -0.051 0.000 2.334 236 L HA 0.827 5.167 4.340 0.000 0.000 0.273 236 L C -0.144 176.703 176.870 -0.039 0.000 1.013 236 L CA -0.529 54.285 54.840 -0.044 0.000 0.816 236 L CB 1.926 43.964 42.059 -0.034 0.000 1.278 236 L HN 0.786 nan 8.230 nan 0.000 0.431 237 E N 0.199 120.375 120.200 -0.041 0.000 2.423 237 E HA 0.210 4.560 4.350 0.000 0.000 0.280 237 E C -1.719 174.862 176.600 -0.030 0.000 1.030 237 E CA -0.924 55.455 56.400 -0.036 0.000 0.812 237 E CB 2.098 31.771 29.700 -0.044 0.000 1.313 237 E HN 0.509 nan 8.360 nan 0.000 0.456 238 D N 1.310 121.697 120.400 -0.021 0.000 2.450 238 D HA -0.047 4.593 4.640 0.000 0.000 0.247 238 D C 1.103 177.393 176.300 -0.016 0.000 1.162 238 D CA 0.719 54.712 54.000 -0.013 0.000 0.879 238 D CB 1.354 42.149 40.800 -0.008 0.000 1.163 238 D HN 0.571 nan 8.370 nan 0.000 0.472 239 S N 3.835 119.534 115.700 -0.003 0.000 2.365 239 S HA -0.251 4.219 4.470 0.000 0.000 0.225 239 S C 2.042 176.646 174.600 0.008 0.000 1.039 239 S CA 1.243 59.448 58.200 0.008 0.000 1.033 239 S CB -0.442 62.785 63.200 0.045 0.000 0.887 239 S HN 0.589 nan 8.310 nan 0.000 0.447 240 A N 2.321 125.147 122.820 0.011 0.000 1.877 240 A HA 0.288 4.608 4.320 0.000 0.000 0.216 240 A C 2.597 180.177 177.584 -0.006 0.000 1.186 240 A CA 1.950 53.993 52.037 0.010 0.000 0.620 240 A CB -1.556 17.452 19.000 0.013 0.000 0.822 240 A HN 0.945 nan 8.150 nan 0.000 0.443 241 A N -0.186 122.627 122.820 -0.013 0.000 1.902 241 A HA 0.159 4.479 4.320 0.000 0.000 0.217 241 A C 2.496 180.054 177.584 -0.044 0.000 1.181 241 A CA 2.106 54.130 52.037 -0.022 0.000 0.623 241 A CB -0.982 18.008 19.000 -0.018 0.000 0.818 241 A HN 1.052 nan 8.150 nan 0.000 0.443 242 A N -0.741 122.046 122.820 -0.056 0.000 1.902 242 A HA -0.138 4.182 4.320 0.000 0.000 0.217 242 A C 2.012 179.513 177.584 -0.139 0.000 1.181 242 A CA 1.641 53.621 52.037 -0.094 0.000 0.623 242 A CB -0.420 18.518 19.000 -0.103 0.000 0.818 242 A HN 0.446 nan 8.150 nan 0.000 0.443 243 E N -0.059 120.080 120.200 -0.101 0.000 2.077 243 E HA -0.153 4.197 4.350 0.000 0.000 0.193 243 E C 2.338 178.871 176.600 -0.112 0.000 0.989 243 E CA 1.232 57.561 56.400 -0.118 0.000 0.800 243 E CB -0.447 29.260 29.700 0.012 0.000 0.746 243 E HN 0.543 nan 8.360 nan 0.000 0.452 244 A N 1.701 124.489 122.820 -0.053 0.000 1.972 244 A HA -0.195 4.125 4.320 0.000 0.000 0.219 244 A C 2.025 179.584 177.584 -0.041 0.000 1.169 244 A CA 1.669 53.690 52.037 -0.026 0.000 0.635 244 A CB -0.484 18.509 19.000 -0.012 0.000 0.810 244 A HN 0.272 nan 8.150 nan 0.000 0.446 245 R N -1.488 118.967 120.500 -0.076 0.000 2.334 245 R HA 0.346 4.686 4.340 0.000 0.000 0.220 245 R C 0.995 177.236 176.300 -0.097 0.000 0.917 245 R CA 0.777 56.837 56.100 -0.067 0.000 1.073 245 R CB -0.435 29.830 30.300 -0.058 0.000 1.056 245 R HN 0.760 nan 8.270 nan 0.000 0.506 246 G N 1.611 110.294 108.800 -0.194 0.000 2.141 246 G HA2 -0.295 3.665 3.960 0.000 0.000 0.231 246 G HA3 -0.295 3.665 3.960 0.000 0.000 0.231 246 G C -0.138 174.498 174.900 -0.440 0.000 0.984 246 G CA 0.076 45.022 45.100 -0.257 0.000 0.660 246 G HN 0.386 nan 8.290 nan 0.000 0.525 247 R N 0.634 120.865 120.500 -0.450 0.000 2.522 247 R HA 0.616 4.956 4.340 0.000 0.000 0.290 247 R C 0.696 176.781 176.300 -0.357 0.000 1.216 247 R CA -0.533 55.389 56.100 -0.297 0.000 1.250 247 R CB -0.543 29.650 30.300 -0.178 0.000 1.143 247 R HN 0.467 nan 8.270 nan 0.000 0.553 248 H N -0.511 118.566 119.070 0.012 0.000 2.517 248 H HA 0.273 4.829 4.556 0.000 0.000 0.282 248 H C -0.592 174.814 175.328 0.131 0.000 1.023 248 H CA -0.311 55.785 56.048 0.080 0.000 1.169 248 H CB 0.230 30.047 29.762 0.092 0.000 1.454 248 H HN 0.432 nan 8.280 nan 0.000 0.556 249 D N 0.453 120.873 120.400 0.034 0.000 2.481 249 D HA 0.679 5.319 4.640 0.000 0.000 0.244 249 D C -0.799 175.238 176.300 -0.438 0.000 1.057 249 D CA -0.745 53.220 54.000 -0.059 0.000 0.848 249 D CB 1.339 42.130 40.800 -0.014 0.000 1.388 249 D HN 0.248 nan 8.370 nan 0.000 0.475 250 A N 2.325 124.677 122.820 -0.781 0.000 2.610 250 A HA 0.383 4.703 4.320 0.000 0.000 0.291 250 A C -0.860 176.444 177.584 -0.466 0.000 1.086 250 A CA -0.639 50.968 52.037 -0.716 0.000 0.677 250 A CB 0.419 18.819 19.000 -1.001 0.000 1.278 250 A HN 0.622 nan 8.150 nan 0.000 0.414 251 Y N 0.784 120.949 120.300 -0.226 0.000 2.337 251 Y HA 0.370 4.920 4.550 0.000 0.000 0.293 251 Y C 1.717 177.594 175.900 -0.039 0.000 1.123 251 Y CA 1.584 59.619 58.100 -0.108 0.000 1.201 251 Y CB 0.315 38.700 38.460 -0.125 0.000 1.011 251 Y HN 1.166 nan 8.280 nan 0.000 0.545 252 G N -0.753 108.098 108.800 0.085 0.000 2.317 252 G HA2 0.178 4.138 3.960 0.000 0.000 0.293 252 G HA3 0.178 4.138 3.960 0.000 0.000 0.293 252 G C -1.883 173.055 174.900 0.064 0.000 1.287 252 G CA -0.944 44.227 45.100 0.118 0.000 0.850 252 G HN -0.099 nan 8.290 nan 0.000 0.515 253 E N -0.378 119.871 120.200 0.082 0.000 2.199 253 E HA 0.515 4.865 4.350 0.000 0.000 0.269 253 E C -0.815 175.804 176.600 0.031 0.000 0.899 253 E CA -0.800 55.634 56.400 0.057 0.000 0.772 253 E CB 1.868 31.621 29.700 0.087 0.000 1.155 253 E HN 0.427 nan 8.360 nan 0.000 0.408 254 L N 4.690 125.922 121.223 0.015 0.000 2.328 254 L HA 0.299 4.639 4.340 0.000 0.000 0.280 254 L C 0.675 177.557 176.870 0.018 0.000 1.111 254 L CA 0.016 54.861 54.840 0.008 0.000 0.909 254 L CB 0.362 42.419 42.059 -0.003 0.000 1.277 254 L HN 0.802 nan 8.230 nan 0.000 0.433 255 A N 3.476 126.312 122.820 0.027 0.000 2.067 255 A HA 0.348 4.668 4.320 0.000 0.000 0.217 255 A C 0.948 178.549 177.584 0.028 0.000 1.156 255 A CA 0.877 52.932 52.037 0.031 0.000 0.683 255 A CB -0.025 18.998 19.000 0.038 0.000 0.808 255 A HN 0.686 nan 8.150 nan 0.000 0.455 256 G N -2.387 106.430 108.800 0.029 0.000 2.732 256 G HA2 0.483 4.443 3.960 0.000 0.000 0.296 256 G HA3 0.483 4.443 3.960 0.000 0.000 0.296 256 G C -1.270 173.648 174.900 0.031 0.000 1.448 256 G CA -0.096 45.022 45.100 0.029 0.000 0.911 256 G HN 0.438 nan 8.290 nan 0.000 0.528 257 C N -0.149 119.168 119.300 0.029 0.000 3.173 257 C HA 1.033 5.493 4.460 0.000 0.000 0.310 257 C C 0.121 175.133 174.990 0.036 0.000 1.306 257 C CA -0.272 58.766 59.018 0.033 0.000 1.426 257 C CB 1.163 28.921 27.740 0.029 0.000 1.800 257 C HN 1.724 nan 8.230 nan 0.000 0.470 258 A N 1.086 123.933 122.820 0.046 0.000 2.594 258 A HA 0.857 5.177 4.320 0.000 0.000 0.296 258 A C -1.043 176.580 177.584 0.066 0.000 1.056 258 A CA -0.217 51.850 52.037 0.049 0.000 0.693 258 A CB 1.180 20.207 19.000 0.044 0.000 1.278 258 A HN 0.881 nan 8.150 nan 0.000 0.408 259 S N 0.381 116.125 115.700 0.073 0.000 2.538 259 S HA 0.907 5.377 4.470 0.000 0.000 0.288 259 S C -0.157 174.506 174.600 0.104 0.000 1.108 259 S CA 0.008 58.270 58.200 0.104 0.000 0.971 259 S CB 1.893 65.165 63.200 0.121 0.000 1.041 259 S HN 1.566 nan 8.310 nan 0.000 0.483 260 T N -0.540 114.090 114.554 0.127 0.000 2.865 260 T HA 0.822 5.172 4.350 0.000 0.000 0.294 260 T C -1.510 173.301 174.700 0.185 0.000 1.119 260 T CA -0.728 61.444 62.100 0.121 0.000 1.007 260 T CB 1.433 70.344 68.868 0.072 0.000 1.225 260 T HN 0.381 nan 8.240 nan 0.000 0.515 261 F N 1.081 121.003 119.950 -0.047 0.000 2.561 261 F HA 0.499 5.026 4.527 -0.000 0.000 0.313 261 F C -0.809 174.936 175.800 -0.090 0.000 1.126 261 F CA -1.049 56.876 58.000 -0.125 0.000 0.918 261 F CB 1.584 40.466 39.000 -0.196 0.000 1.199 261 F HN 0.622 nan 8.300 nan 0.000 0.444 262 D N 6.464 126.440 120.400 -0.708 0.000 2.368 262 D HA 0.179 4.819 4.640 0.000 0.000 0.240 262 D C -2.234 173.818 176.300 -0.414 0.000 1.169 262 D CA -0.583 53.144 54.000 -0.456 0.000 0.906 262 D CB 0.408 40.976 40.800 -0.386 0.000 1.187 262 D HN 0.259 nan 8.370 nan 0.000 0.435 263 P HA 0.146 nan 4.420 nan 0.000 0.274 263 P C -0.760 176.481 177.300 -0.099 0.000 1.231 263 P CA -0.427 62.617 63.100 -0.093 0.000 0.790 263 P CB 0.499 32.169 31.700 -0.050 0.000 0.951 264 A N 4.219 127.020 122.820 -0.031 0.000 2.587 264 A HA 0.127 4.447 4.320 0.000 0.000 0.233 264 A C -1.886 175.693 177.584 -0.009 0.000 1.049 264 A CA -0.493 51.539 52.037 -0.009 0.000 0.754 264 A CB -1.803 17.204 19.000 0.012 0.000 0.977 264 A HN 0.429 nan 8.150 nan 0.000 0.509 265 P HA 0.261 nan 4.420 nan 0.000 0.262 265 P C 0.983 178.298 177.300 0.024 0.000 1.182 265 P CA 1.851 64.974 63.100 0.039 0.000 0.761 265 P CB 0.524 32.283 31.700 0.098 0.000 0.795 266 G N 2.329 111.140 108.800 0.019 0.000 2.157 266 G HA2 -0.288 3.672 3.960 0.000 0.000 0.248 266 G HA3 -0.288 3.672 3.960 0.000 0.000 0.248 266 G C 1.074 175.978 174.900 0.005 0.000 0.979 266 G CA 0.485 45.593 45.100 0.013 0.000 0.650 266 G HN 0.596 nan 8.290 nan 0.000 0.529 267 S N -0.798 114.902 115.700 -0.000 0.000 2.470 267 S HA 0.383 4.853 4.470 0.000 0.000 0.225 267 S C 2.547 177.145 174.600 -0.004 0.000 1.006 267 S CA 1.620 59.818 58.200 -0.004 0.000 0.934 267 S CB 0.111 63.305 63.200 -0.010 0.000 0.778 267 S HN 2.367 nan 8.310 nan 0.000 0.517 268 G N 1.695 110.492 108.800 -0.005 0.000 2.304 268 G HA2 -0.328 3.632 3.960 0.000 0.000 0.252 268 G HA3 -0.328 3.632 3.960 0.000 0.000 0.252 268 G C 0.297 175.192 174.900 -0.008 0.000 1.014 268 G CA 0.225 45.322 45.100 -0.004 0.000 0.619 268 G HN 0.644 nan 8.290 nan 0.000 0.525 269 R N 2.052 122.545 120.500 -0.012 0.000 2.679 269 R HA 0.413 4.753 4.340 0.000 0.000 0.268 269 R C -1.684 174.603 176.300 -0.021 0.000 1.044 269 R CA -0.476 55.615 56.100 -0.015 0.000 1.105 269 R CB 0.112 30.402 30.300 -0.016 0.000 0.989 269 R HN 0.311 nan 8.270 nan 0.000 0.447 270 P HA 0.049 nan 4.420 nan 0.000 0.272 270 P C -0.748 176.531 177.300 -0.034 0.000 1.223 270 P CA -0.261 62.827 63.100 -0.020 0.000 0.784 270 P CB 0.759 32.451 31.700 -0.012 0.000 0.923 271 A N 1.688 124.485 122.820 -0.038 0.000 2.429 271 A HA 0.392 4.712 4.320 0.000 0.000 0.242 271 A C 1.469 179.028 177.584 -0.042 0.000 1.088 271 A CA 0.280 52.283 52.037 -0.057 0.000 0.784 271 A CB -0.735 18.235 19.000 -0.050 0.000 1.038 271 A HN 0.662 nan 8.150 nan 0.000 0.501 272 G N -0.332 108.438 108.800 -0.050 0.000 3.448 272 G HA2 0.309 4.269 3.960 0.000 0.000 0.261 272 G HA3 0.309 4.269 3.960 0.000 0.000 0.261 272 G C 0.820 175.721 174.900 0.001 0.000 1.173 272 G CA 0.390 45.477 45.100 -0.021 0.000 0.835 272 G HN 0.608 nan 8.290 nan 0.000 0.534 273 L N 0.451 121.676 121.223 0.002 0.000 2.056 273 L HA 0.066 4.406 4.340 0.000 0.000 0.207 273 L C 2.451 179.339 176.870 0.029 0.000 1.078 273 L CA 2.242 57.098 54.840 0.025 0.000 0.749 273 L CB -0.320 41.757 42.059 0.029 0.000 0.901 273 L HN 0.403 nan 8.230 nan 0.000 0.433 274 E N -0.493 119.716 120.200 0.015 0.000 2.051 274 E HA -0.314 4.036 4.350 0.000 0.000 0.192 274 E C 2.433 179.030 176.600 -0.005 0.000 0.991 274 E CA 1.299 57.700 56.400 0.002 0.000 0.799 274 E CB -0.174 29.519 29.700 -0.012 0.000 0.748 274 E HN 0.476 nan 8.360 nan 0.000 0.449 275 R N 0.096 120.596 120.500 -0.001 0.000 2.091 275 R HA -0.173 4.167 4.340 0.000 0.000 0.238 275 R C 2.277 178.585 176.300 0.013 0.000 1.136 275 R CA 1.464 57.565 56.100 0.001 0.000 0.959 275 R CB -0.346 29.957 30.300 0.005 0.000 0.856 275 R HN 0.228 nan 8.270 nan 0.000 0.437 276 A N 1.091 123.928 122.820 0.028 0.000 1.883 276 A HA -0.186 4.134 4.320 0.000 0.000 0.217 276 A C 2.165 179.774 177.584 0.043 0.000 1.186 276 A CA 1.736 53.798 52.037 0.043 0.000 0.624 276 A CB -0.626 18.410 19.000 0.059 0.000 0.822 276 A HN 0.381 nan 8.150 nan 0.000 0.444 277 I N -0.918 119.679 120.570 0.044 0.000 2.127 277 I HA -0.320 3.850 4.170 0.000 0.000 0.241 277 I C 2.792 178.920 176.117 0.019 0.000 1.075 277 I CA 1.834 63.166 61.300 0.053 0.000 1.334 277 I CB -0.389 37.644 38.000 0.055 0.000 1.040 277 I HN 0.289 nan 8.210 nan 0.000 0.405 278 R N -0.020 120.470 120.500 -0.018 0.000 2.120 278 R HA -0.148 4.192 4.340 0.000 0.000 0.234 278 R C 2.179 178.476 176.300 -0.006 0.000 1.123 278 R CA 1.027 57.107 56.100 -0.033 0.000 0.975 278 R CB -0.288 29.983 30.300 -0.048 0.000 0.866 278 R HN 0.213 nan 8.270 nan 0.000 0.446 279 L N 0.216 121.443 121.223 0.008 0.000 2.056 279 L HA -0.063 4.277 4.340 0.000 0.000 0.207 279 L C 2.360 179.244 176.870 0.023 0.000 1.078 279 L CA 1.792 56.640 54.840 0.015 0.000 0.749 279 L CB -0.857 41.215 42.059 0.021 0.000 0.901 279 L HN 0.141 nan 8.230 nan 0.000 0.433 280 A N -0.994 121.846 122.820 0.033 0.000 1.930 280 A HA -0.128 4.192 4.320 0.000 0.000 0.217 280 A C 2.288 179.897 177.584 0.043 0.000 1.175 280 A CA 1.324 53.386 52.037 0.042 0.000 0.627 280 A CB -0.657 18.377 19.000 0.057 0.000 0.815 280 A HN 0.377 nan 8.150 nan 0.000 0.443 281 L N -0.163 121.085 121.223 0.043 0.000 2.046 281 L HA -0.207 4.133 4.340 0.000 0.000 0.208 281 L C 2.301 179.188 176.870 0.028 0.000 1.077 281 L CA 1.221 56.088 54.840 0.044 0.000 0.747 281 L CB -0.663 41.415 42.059 0.031 0.000 0.896 281 L HN 0.404 nan 8.230 nan 0.000 0.432 282 N N -0.134 118.576 118.700 0.016 0.000 2.142 282 N HA -0.204 4.536 4.740 0.000 0.000 0.186 282 N C 1.519 177.039 175.510 0.016 0.000 1.023 282 N CA 1.442 54.499 53.050 0.012 0.000 0.852 282 N CB -0.323 38.167 38.487 0.005 0.000 0.998 282 N HN 0.309 nan 8.380 nan 0.000 0.424 283 D N 1.019 121.430 120.400 0.018 0.000 2.104 283 D HA -0.066 4.574 4.640 0.000 0.000 0.194 283 D C 1.575 177.888 176.300 0.021 0.000 0.994 283 D CA 1.337 55.348 54.000 0.018 0.000 0.830 283 D CB -0.173 40.639 40.800 0.020 0.000 0.959 283 D HN 0.220 nan 8.370 nan 0.000 0.452 284 A N -0.753 122.084 122.820 0.028 0.000 2.168 284 A HA 0.326 4.646 4.320 0.000 0.000 0.215 284 A C 1.727 179.329 177.584 0.030 0.000 1.152 284 A CA 1.271 53.327 52.037 0.032 0.000 0.716 284 A CB -0.646 18.379 19.000 0.042 0.000 0.794 284 A HN 0.554 nan 8.150 nan 0.000 0.465 285 G N -0.960 107.855 108.800 0.026 0.000 2.272 285 G HA2 -0.136 3.824 3.960 0.000 0.000 0.280 285 G HA3 -0.136 3.824 3.960 0.000 0.000 0.280 285 G C 0.207 175.124 174.900 0.028 0.000 1.067 285 G CA 0.728 45.841 45.100 0.022 0.000 0.902 285 G HN 1.272 nan 8.290 nan 0.000 0.500 286 T N -0.949 113.626 114.554 0.034 0.000 2.893 286 T HA 0.732 5.082 4.350 0.000 0.000 0.293 286 T C 0.717 175.443 174.700 0.044 0.000 1.027 286 T CA 0.774 62.901 62.100 0.044 0.000 0.988 286 T CB 1.447 70.351 68.868 0.059 0.000 1.043 286 T HN 1.322 nan 8.240 nan 0.000 0.461 287 G N 3.764 112.590 108.800 0.045 0.000 2.504 287 G HA2 0.501 4.461 3.960 0.000 0.000 0.288 287 G HA3 0.501 4.461 3.960 0.000 0.000 0.288 287 G C -1.745 173.195 174.900 0.066 0.000 1.182 287 G CA -1.549 43.571 45.100 0.034 0.000 0.894 287 G HN 0.546 nan 8.290 nan 0.000 0.521 288 P HA -0.099 nan 4.420 nan 0.000 0.218 288 P C 1.297 178.749 177.300 0.253 0.000 1.148 288 P CA 1.199 64.335 63.100 0.061 0.000 0.822 288 P CB 0.254 31.820 31.700 -0.223 0.000 0.784 289 E N -0.717 119.565 120.200 0.137 0.000 2.265 289 E HA -0.157 4.193 4.350 0.000 0.000 0.196 289 E C 1.406 178.075 176.600 0.115 0.000 0.996 289 E CA 1.017 57.492 56.400 0.126 0.000 0.832 289 E CB -1.002 28.741 29.700 0.071 0.000 0.756 289 E HN 0.347 nan 8.360 nan 0.000 0.491 290 D N 0.333 120.801 120.400 0.114 0.000 2.317 290 D HA -0.022 4.618 4.640 0.000 0.000 0.211 290 D C 0.101 176.458 176.300 0.095 0.000 0.966 290 D CA 0.294 54.348 54.000 0.089 0.000 0.876 290 D CB 0.177 41.022 40.800 0.075 0.000 0.927 290 D HN 0.031 nan 8.370 nan 0.000 0.519 291 V N 2.508 122.509 119.914 0.144 0.000 2.529 291 V HA -0.036 4.084 4.120 0.000 0.000 0.292 291 V C 1.098 177.188 176.094 -0.006 0.000 1.028 291 V CA 0.340 62.691 62.300 0.085 0.000 1.074 291 V CB 1.277 33.169 31.823 0.115 0.000 0.958 291 V HN -0.035 nan 8.190 nan 0.000 0.481 292 D N 2.524 122.921 120.400 -0.005 0.000 2.355 292 D HA 0.174 4.814 4.640 0.000 0.000 0.206 292 D C 0.200 176.473 176.300 -0.045 0.000 1.010 292 D CA 0.803 54.795 54.000 -0.014 0.000 0.875 292 D CB 1.350 42.165 40.800 0.025 0.000 0.966 292 D HN 0.360 nan 8.370 nan 0.000 0.512 293 V N 0.332 120.220 119.914 -0.044 0.000 3.000 293 V HA 0.330 4.450 4.120 0.000 0.000 0.300 293 V C -1.835 174.239 176.094 -0.034 0.000 1.251 293 V CA -0.721 61.549 62.300 -0.050 0.000 0.972 293 V CB 2.485 34.350 31.823 0.071 0.000 1.065 293 V HN -0.255 nan 8.190 nan 0.000 0.431 294 V N 6.552 126.390 119.914 -0.126 0.000 2.378 294 V HA 0.520 4.640 4.120 0.000 0.000 0.288 294 V C -0.708 175.378 176.094 -0.013 0.000 1.016 294 V CA -0.358 61.906 62.300 -0.060 0.000 0.840 294 V CB 1.409 33.110 31.823 -0.202 0.000 0.994 294 V HN 0.703 nan 8.190 nan 0.000 0.431 295 F N 4.007 123.950 119.950 -0.012 0.000 2.368 295 F HA 0.614 5.141 4.527 -0.000 0.000 0.362 295 F C 0.955 176.781 175.800 0.043 0.000 1.137 295 F CA -0.391 57.624 58.000 0.024 0.000 1.161 295 F CB 0.806 39.831 39.000 0.042 0.000 1.265 295 F HN 0.573 nan 8.300 nan 0.000 0.530 296 A N 2.468 125.364 122.820 0.127 0.000 2.386 296 A HA 0.128 4.448 4.320 0.000 0.000 0.248 296 A C 1.454 179.135 177.584 0.162 0.000 1.082 296 A CA -0.217 51.918 52.037 0.163 0.000 0.789 296 A CB 0.197 19.336 19.000 0.232 0.000 1.025 296 A HN 0.749 nan 8.150 nan 0.000 0.490 297 D N 1.336 121.813 120.400 0.127 0.000 2.149 297 D HA 0.014 4.654 4.640 0.000 0.000 0.198 297 D C 1.210 177.528 176.300 0.030 0.000 0.990 297 D CA 2.080 56.119 54.000 0.066 0.000 0.839 297 D CB -0.261 40.558 40.800 0.033 0.000 0.948 297 D HN 1.421 nan 8.370 nan 0.000 0.460 298 G N -0.580 108.216 108.800 -0.007 0.000 2.367 298 G HA2 -0.148 3.812 3.960 0.000 0.000 0.295 298 G HA3 -0.148 3.812 3.960 0.000 0.000 0.295 298 G C 0.980 175.794 174.900 -0.143 0.000 1.019 298 G CA 0.694 45.683 45.100 -0.185 0.000 1.224 298 G HN 0.622 nan 8.290 nan 0.000 0.510 299 A N 0.300 122.997 122.820 -0.206 0.000 1.940 299 A HA 0.376 4.696 4.320 0.000 0.000 0.219 299 A C 3.061 180.676 177.584 0.052 0.000 1.176 299 A CA 2.301 54.276 52.037 -0.103 0.000 0.631 299 A CB -0.545 18.370 19.000 -0.142 0.000 0.814 299 A HN 2.749 nan 8.150 nan 0.000 0.446 300 G N -2.735 106.046 108.800 -0.032 0.000 2.162 300 G HA2 -0.176 3.784 3.960 0.000 0.000 0.260 300 G HA3 -0.176 3.784 3.960 0.000 0.000 0.260 300 G C 0.121 175.056 174.900 0.058 0.000 0.976 300 G CA 0.340 45.509 45.100 0.114 0.000 0.655 300 G HN 1.109 nan 8.290 nan 0.000 0.533 301 V N 0.605 120.510 119.914 -0.016 0.000 2.376 301 V HA 0.340 4.460 4.120 0.000 0.000 0.287 301 V C -0.419 175.653 176.094 -0.037 0.000 1.015 301 V CA -0.909 61.386 62.300 -0.008 0.000 0.834 301 V CB 1.882 33.702 31.823 -0.005 0.000 1.001 301 V HN 0.013 nan 8.190 nan 0.000 0.428 302 P HA -0.294 nan 4.420 nan 0.000 0.219 302 P C 1.640 178.970 177.300 0.050 0.000 1.159 302 P CA 1.841 64.981 63.100 0.066 0.000 0.944 302 P CB 0.383 32.131 31.700 0.081 0.000 0.792 303 E N -0.690 119.526 120.200 0.027 0.000 2.085 303 E HA -0.197 4.153 4.350 0.000 0.000 0.194 303 E C 1.937 178.526 176.600 -0.018 0.000 0.994 303 E CA 1.141 57.552 56.400 0.019 0.000 0.801 303 E CB -0.522 29.181 29.700 0.005 0.000 0.743 303 E HN 0.158 nan 8.360 nan 0.000 0.453 304 L N 0.670 121.861 121.223 -0.055 0.000 2.109 304 L HA -0.144 4.196 4.340 0.000 0.000 0.207 304 L C 2.214 178.997 176.870 -0.145 0.000 1.086 304 L CA 0.831 55.618 54.840 -0.087 0.000 0.760 304 L CB -0.341 41.660 42.059 -0.096 0.000 0.910 304 L HN 0.092 nan 8.230 nan 0.000 0.437 305 D N 0.494 120.751 120.400 -0.238 0.000 2.117 305 D HA -0.158 4.482 4.640 0.000 0.000 0.197 305 D C 2.240 178.312 176.300 -0.380 0.000 0.987 305 D CA 1.554 55.267 54.000 -0.479 0.000 0.829 305 D CB -0.004 40.426 40.800 -0.617 0.000 0.961 305 D HN 0.280 nan 8.370 nan 0.000 0.460 306 A N 1.006 123.686 122.820 -0.233 0.000 1.877 306 A HA -0.071 4.249 4.320 0.000 0.000 0.216 306 A C 2.322 179.910 177.584 0.007 0.000 1.186 306 A CA 2.391 54.410 52.037 -0.030 0.000 0.620 306 A CB -0.816 18.312 19.000 0.214 0.000 0.822 306 A HN 0.238 nan 8.150 nan 0.000 0.443 307 A N -0.253 122.565 122.820 -0.004 0.000 1.883 307 A HA -0.216 4.104 4.320 0.000 0.000 0.217 307 A C 2.052 179.649 177.584 0.022 0.000 1.186 307 A CA 1.993 54.036 52.037 0.010 0.000 0.624 307 A CB -0.637 18.358 19.000 -0.008 0.000 0.822 307 A HN 0.701 nan 8.150 nan 0.000 0.444 308 E N -0.131 120.082 120.200 0.022 0.000 2.051 308 E HA -0.130 4.220 4.350 0.000 0.000 0.192 308 E C 2.104 178.764 176.600 0.100 0.000 0.991 308 E CA 1.251 57.699 56.400 0.079 0.000 0.799 308 E CB -0.335 29.440 29.700 0.125 0.000 0.748 308 E HN 0.506 nan 8.360 nan 0.000 0.449 309 A N 1.027 123.906 122.820 0.099 0.000 1.940 309 A HA -0.230 4.090 4.320 0.000 0.000 0.219 309 A C 2.199 179.815 177.584 0.054 0.000 1.176 309 A CA 1.756 53.809 52.037 0.027 0.000 0.631 309 A CB -0.591 18.400 19.000 -0.015 0.000 0.814 309 A HN 0.230 nan 8.150 nan 0.000 0.446 310 R N -0.627 119.912 120.500 0.065 0.000 2.073 310 R HA -0.071 4.269 4.340 0.000 0.000 0.234 310 R C 2.403 178.733 176.300 0.051 0.000 1.134 310 R CA 1.476 57.614 56.100 0.062 0.000 0.952 310 R CB -0.419 29.915 30.300 0.057 0.000 0.850 310 R HN 0.476 nan 8.270 nan 0.000 0.433 311 A N 0.619 123.470 122.820 0.051 0.000 1.902 311 A HA -0.140 4.180 4.320 0.000 0.000 0.217 311 A C 2.140 179.769 177.584 0.075 0.000 1.181 311 A CA 1.417 53.483 52.037 0.048 0.000 0.623 311 A CB -0.544 18.486 19.000 0.050 0.000 0.818 311 A HN 0.325 nan 8.150 nan 0.000 0.443 312 I N -0.338 120.301 120.570 0.115 0.000 2.226 312 I HA -0.198 3.972 4.170 0.000 0.000 0.245 312 I C 2.681 178.926 176.117 0.213 0.000 1.100 312 I CA 1.136 62.565 61.300 0.216 0.000 1.374 312 I CB -0.657 37.424 38.000 0.136 0.000 1.057 312 I HN 0.403 nan 8.210 nan 0.000 0.413 313 G N 0.745 109.612 108.800 0.111 0.000 2.422 313 G HA2 -0.199 3.761 3.960 0.000 0.000 0.218 313 G HA3 -0.199 3.761 3.960 0.000 0.000 0.218 313 G C 1.806 176.738 174.900 0.054 0.000 1.146 313 G CA 0.292 45.444 45.100 0.087 0.000 0.769 313 G HN 0.304 nan 8.290 nan 0.000 0.547 314 R N -0.325 120.190 120.500 0.024 0.000 2.148 314 R HA 0.042 4.382 4.340 0.000 0.000 0.227 314 R C 2.441 178.695 176.300 -0.077 0.000 1.103 314 R CA 0.851 56.942 56.100 -0.016 0.000 0.983 314 R CB -0.211 30.078 30.300 -0.017 0.000 0.874 314 R HN 0.346 nan 8.270 nan 0.000 0.451 315 V N -0.418 119.413 119.914 -0.138 0.000 2.426 315 V HA -0.073 4.047 4.120 0.000 0.000 0.242 315 V C 1.268 177.063 176.094 -0.498 0.000 1.036 315 V CA 1.453 63.513 62.300 -0.401 0.000 1.044 315 V CB -0.151 31.263 31.823 -0.681 0.000 0.688 315 V HN 0.134 nan 8.190 nan 0.000 0.462 316 F N 0.389 120.340 119.950 0.002 0.000 2.695 316 F HA 0.610 5.137 4.527 0.000 0.000 0.303 316 F C 1.216 177.014 175.800 -0.004 0.000 1.091 316 F CA 0.381 58.380 58.000 -0.001 0.000 1.300 316 F CB 0.018 39.015 39.000 -0.004 0.000 1.071 316 F HN 0.236 nan 8.300 nan 0.000 0.578 317 G N 1.319 110.194 108.800 0.125 0.000 2.719 317 G HA2 -0.187 3.773 3.960 0.000 0.000 0.686 317 G HA3 -0.187 3.773 3.960 0.000 0.000 0.686 317 G C -0.525 174.422 174.900 0.079 0.000 1.201 317 G CA -1.284 43.863 45.100 0.078 0.000 0.768 317 G HN 0.214 nan 8.290 nan 0.000 0.629 318 R N 1.090 121.619 120.500 0.049 0.000 2.570 318 R HA 0.361 4.701 4.340 0.000 0.000 0.277 318 R C 1.037 177.351 176.300 0.023 0.000 1.039 318 R CA 0.818 56.940 56.100 0.036 0.000 1.065 318 R CB 0.142 30.459 30.300 0.029 0.000 0.964 318 R HN 0.787 nan 8.270 nan 0.000 0.428 319 E N 0.180 120.382 120.200 0.003 0.000 3.146 319 E HA -0.249 4.101 4.350 0.000 0.000 0.277 319 E C 1.088 177.682 176.600 -0.010 0.000 1.003 319 E CA 1.153 57.541 56.400 -0.019 0.000 0.861 319 E CB -1.337 28.353 29.700 -0.016 0.000 1.436 319 E HN 0.958 nan 8.360 nan 0.000 0.455 320 G N -0.201 108.612 108.800 0.022 0.000 2.679 320 G HA2 0.161 4.121 3.960 0.000 0.000 0.212 320 G HA3 0.161 4.121 3.960 0.000 0.000 0.212 320 G C 0.287 175.195 174.900 0.013 0.000 1.137 320 G CA 0.739 45.868 45.100 0.049 0.000 0.787 320 G HN 0.314 nan 8.290 nan 0.000 0.534 321 V N -0.392 119.480 119.914 -0.069 0.000 3.000 321 V HA 0.488 4.608 4.120 0.000 0.000 0.300 321 V C -2.656 173.325 176.094 -0.188 0.000 1.251 321 V CA -1.919 60.276 62.300 -0.174 0.000 0.972 321 V CB 2.777 34.337 31.823 -0.438 0.000 1.065 321 V HN -0.057 nan 8.190 nan 0.000 0.431 322 P HA 0.265 nan 4.420 nan 0.000 0.265 322 P C -1.286 175.883 177.300 -0.218 0.000 1.193 322 P CA 0.227 63.229 63.100 -0.163 0.000 0.765 322 P CB 0.669 32.293 31.700 -0.125 0.000 0.823 323 V N 2.982 122.757 119.914 -0.232 0.000 2.588 323 V HA 0.600 4.720 4.120 0.000 0.000 0.304 323 V C 0.078 175.999 176.094 -0.288 0.000 1.042 323 V CA -0.244 61.892 62.300 -0.274 0.000 0.877 323 V CB 2.186 33.822 31.823 -0.312 0.000 0.996 323 V HN 0.539 nan 8.190 nan 0.000 0.425 324 T N 3.362 117.697 114.554 -0.364 0.000 2.903 324 T HA 0.703 5.053 4.350 0.000 0.000 0.299 324 T C -1.452 173.079 174.700 -0.281 0.000 1.093 324 T CA -0.336 61.547 62.100 -0.363 0.000 1.002 324 T CB 1.797 70.356 68.868 -0.515 0.000 1.127 324 T HN 0.378 nan 8.240 nan 0.000 0.488 325 V N 6.333 126.162 119.914 -0.142 0.000 2.467 325 V HA 0.314 4.434 4.120 0.000 0.000 0.260 325 V C -2.067 174.006 176.094 -0.036 0.000 0.963 325 V CA -1.257 61.018 62.300 -0.041 0.000 0.856 325 V CB 1.122 32.951 31.823 0.009 0.000 1.087 325 V HN 0.679 nan 8.190 nan 0.000 0.467 326 P HA -0.104 nan 4.420 nan 0.000 0.226 326 P C 1.504 178.876 177.300 0.121 0.000 1.153 326 P CA 0.756 63.907 63.100 0.085 0.000 0.777 326 P CB 0.139 31.968 31.700 0.215 0.000 0.794 327 K N -0.365 120.115 120.400 0.133 0.000 2.515 327 K HA -0.061 4.259 4.320 0.000 0.000 0.196 327 K C 1.281 177.972 176.600 0.152 0.000 1.038 327 K CA 1.510 57.905 56.287 0.181 0.000 0.967 327 K CB -1.239 31.384 32.500 0.206 0.000 0.780 327 K HN 0.151 nan 8.250 nan 0.000 0.483 328 T N -1.024 113.500 114.554 -0.050 0.000 2.929 328 T HA -0.160 4.190 4.350 0.000 0.000 0.271 328 T C 1.998 176.745 174.700 0.078 0.000 1.085 328 T CA 1.561 63.570 62.100 -0.152 0.000 1.125 328 T CB -0.653 68.091 68.868 -0.205 0.000 0.874 328 T HN 0.481 nan 8.240 nan 0.000 0.494 329 T N -0.511 114.116 114.554 0.122 0.000 3.081 329 T HA 0.080 4.430 4.350 0.000 0.000 0.255 329 T C 1.886 176.724 174.700 0.231 0.000 1.113 329 T CA 0.923 63.133 62.100 0.184 0.000 1.082 329 T CB -0.303 68.636 68.868 0.119 0.000 0.939 329 T HN 0.621 nan 8.240 nan 0.000 0.506 330 T N -2.672 112.026 114.554 0.241 0.000 2.964 330 T HA 0.562 4.912 4.350 0.000 0.000 0.250 330 T C 1.202 176.017 174.700 0.192 0.000 0.982 330 T CA 0.531 62.768 62.100 0.228 0.000 0.959 330 T CB 0.204 69.213 68.868 0.236 0.000 1.141 330 T HN 1.174 nan 8.240 nan 0.000 0.494 331 G N 1.532 110.481 108.800 0.249 0.000 2.655 331 G HA2 -0.038 3.922 3.960 0.000 0.000 0.680 331 G HA3 -0.038 3.922 3.960 0.000 0.000 0.680 331 G C -1.163 173.755 174.900 0.030 0.000 1.302 331 G CA -1.033 44.143 45.100 0.127 0.000 0.872 331 G HN 0.574 nan 8.290 nan 0.000 0.540 332 R N 0.035 120.415 120.500 -0.199 0.000 2.216 332 R HA 0.394 4.734 4.340 0.000 0.000 0.332 332 R C 1.038 177.051 176.300 -0.478 0.000 1.056 332 R CA -0.435 55.439 56.100 -0.377 0.000 0.901 332 R CB 0.460 30.307 30.300 -0.754 0.000 1.039 332 R HN 0.412 nan 8.270 nan 0.000 0.456 333 L N 3.853 124.894 121.223 -0.304 0.000 2.629 333 L HA 0.122 4.462 4.340 0.000 0.000 0.230 333 L C 0.012 176.816 176.870 -0.110 0.000 1.151 333 L CA -0.088 54.644 54.840 -0.180 0.000 0.924 333 L CB -0.679 41.348 42.059 -0.053 0.000 1.137 333 L HN 0.696 nan 8.230 nan 0.000 0.457 334 Y N -0.592 119.661 120.300 -0.077 0.000 2.865 334 Y HA -0.510 4.040 4.550 -0.000 0.000 0.468 334 Y C 2.414 178.260 175.900 -0.089 0.000 1.177 334 Y CA 1.359 59.400 58.100 -0.098 0.000 2.596 334 Y CB -1.841 36.571 38.460 -0.080 0.000 1.207 334 Y HN 0.260 nan 8.280 nan 0.000 0.627 335 S N 0.682 116.454 115.700 0.120 0.000 2.442 335 S HA -0.041 4.429 4.470 0.000 0.000 0.236 335 S C 1.892 176.484 174.600 -0.014 0.000 1.007 335 S CA 1.354 59.561 58.200 0.012 0.000 0.965 335 S CB -0.862 62.329 63.200 -0.015 0.000 0.773 335 S HN 0.979 nan 8.310 nan 0.000 0.504 336 G N 0.503 109.301 108.800 -0.003 0.000 2.712 336 G HA2 0.322 4.282 3.960 0.000 0.000 0.212 336 G HA3 0.322 4.282 3.960 0.000 0.000 0.212 336 G C 1.223 176.093 174.900 -0.050 0.000 1.142 336 G CA 0.293 45.371 45.100 -0.038 0.000 0.789 336 G HN 0.605 nan 8.290 nan 0.000 0.535 337 G N 1.228 109.997 108.800 -0.051 0.000 2.433 337 G HA2 0.027 3.987 3.960 0.000 0.000 0.216 337 G HA3 0.027 3.987 3.960 0.000 0.000 0.216 337 G C 1.757 176.643 174.900 -0.023 0.000 1.186 337 G CA 1.326 46.398 45.100 -0.046 0.000 0.779 337 G HN 0.459 nan 8.290 nan 0.000 0.543 338 G N 1.644 110.428 108.800 -0.027 0.000 2.459 338 G HA2 -0.104 3.856 3.960 0.000 0.000 0.217 338 G HA3 -0.104 3.856 3.960 0.000 0.000 0.217 338 G C 0.101 174.977 174.900 -0.041 0.000 1.183 338 G CA 1.322 46.411 45.100 -0.019 0.000 0.776 338 G HN 0.392 nan 8.290 nan 0.000 0.552 339 P HA -0.122 nan 4.420 nan 0.000 0.216 339 P C 2.019 179.258 177.300 -0.103 0.000 1.157 339 P CA 0.748 63.798 63.100 -0.084 0.000 0.880 339 P CB -0.105 31.543 31.700 -0.086 0.000 0.791 340 L N -0.533 120.633 121.223 -0.094 0.000 2.093 340 L HA -0.130 4.210 4.340 0.000 0.000 0.208 340 L C 1.560 178.408 176.870 -0.036 0.000 1.085 340 L CA 2.031 56.802 54.840 -0.114 0.000 0.755 340 L CB -1.398 40.586 42.059 -0.125 0.000 0.904 340 L HN -0.153 nan 8.230 nan 0.000 0.435 341 D N -1.103 119.296 120.400 -0.001 0.000 2.117 341 D HA -0.153 4.487 4.640 0.000 0.000 0.197 341 D C 2.340 178.546 176.300 -0.156 0.000 0.987 341 D CA 1.425 55.439 54.000 0.024 0.000 0.829 341 D CB -0.122 40.721 40.800 0.073 0.000 0.961 341 D HN 0.198 nan 8.370 nan 0.000 0.460 342 V N 0.180 120.007 119.914 -0.145 0.000 2.343 342 V HA -0.205 3.915 4.120 0.000 0.000 0.247 342 V C 2.524 178.485 176.094 -0.222 0.000 1.051 342 V CA 1.029 63.213 62.300 -0.194 0.000 1.036 342 V CB -0.367 31.376 31.823 -0.133 0.000 0.654 342 V HN 0.087 nan 8.190 nan 0.000 0.451 343 V N -0.033 119.770 119.914 -0.185 0.000 2.343 343 V HA -0.263 3.857 4.120 0.000 0.000 0.247 343 V C 2.555 178.560 176.094 -0.147 0.000 1.051 343 V CA 2.615 64.792 62.300 -0.206 0.000 1.036 343 V CB -1.001 30.700 31.823 -0.202 0.000 0.654 343 V HN 0.634 nan 8.190 nan 0.000 0.451 344 T N 0.371 114.912 114.554 -0.023 0.000 2.788 344 T HA -0.124 4.226 4.350 0.000 0.000 0.268 344 T C 2.046 176.687 174.700 -0.098 0.000 1.044 344 T CA 1.474 63.671 62.100 0.161 0.000 1.139 344 T CB -0.386 68.739 68.868 0.428 0.000 0.867 344 T HN 0.564 nan 8.240 nan 0.000 0.454 345 A N 1.237 123.702 122.820 -0.591 0.000 1.898 345 A HA 0.068 4.388 4.320 0.000 0.000 0.216 345 A C 2.304 179.726 177.584 -0.269 0.000 1.181 345 A CA 1.041 52.584 52.037 -0.823 0.000 0.620 345 A CB -0.814 17.573 19.000 -1.022 0.000 0.819 345 A HN 0.452 nan 8.150 nan 0.000 0.442 346 L N -0.990 120.103 121.223 -0.217 0.000 2.046 346 L HA -0.207 4.133 4.340 0.000 0.000 0.208 346 L C 2.830 179.649 176.870 -0.085 0.000 1.077 346 L CA 1.173 55.953 54.840 -0.101 0.000 0.747 346 L CB -0.421 41.582 42.059 -0.092 0.000 0.896 346 L HN 0.351 nan 8.230 nan 0.000 0.432 347 M N -1.011 118.449 119.600 -0.233 0.000 2.175 347 M HA -0.152 4.328 4.480 0.000 0.000 0.264 347 M C 2.495 178.608 176.300 -0.312 0.000 1.063 347 M CA 1.419 56.417 55.300 -0.504 0.000 1.119 347 M CB -0.976 30.868 32.600 -1.260 0.000 1.377 347 M HN 0.169 nan 8.290 nan 0.000 0.415 348 S N 1.044 116.739 115.700 -0.009 0.000 2.368 348 S HA -0.044 4.426 4.470 0.000 0.000 0.225 348 S C 2.018 176.725 174.600 0.179 0.000 1.030 348 S CA 1.023 59.408 58.200 0.308 0.000 0.999 348 S CB -0.303 63.175 63.200 0.464 0.000 0.844 348 S HN 0.420 nan 8.310 nan 0.000 0.459 349 L N 0.708 121.988 121.223 0.095 0.000 2.093 349 L HA -0.014 4.326 4.340 0.000 0.000 0.208 349 L C 2.716 179.625 176.870 0.065 0.000 1.085 349 L CA 1.111 55.999 54.840 0.080 0.000 0.755 349 L CB -0.404 41.690 42.059 0.058 0.000 0.904 349 L HN 0.211 nan 8.230 nan 0.000 0.435 350 R N 0.248 120.770 120.500 0.036 0.000 2.073 350 R HA -0.146 4.194 4.340 0.000 0.000 0.229 350 R C 1.974 178.297 176.300 0.039 0.000 1.120 350 R CA 1.183 57.296 56.100 0.022 0.000 0.967 350 R CB 0.142 30.429 30.300 -0.022 0.000 0.862 350 R HN 0.133 nan 8.270 nan 0.000 0.436 351 E N -0.946 119.297 120.200 0.072 0.000 2.435 351 E HA 0.070 4.420 4.350 0.000 0.000 0.195 351 E C 0.699 177.391 176.600 0.153 0.000 1.029 351 E CA 0.776 57.268 56.400 0.154 0.000 0.865 351 E CB 0.448 30.352 29.700 0.340 0.000 0.833 351 E HN 0.580 nan 8.360 nan 0.000 0.510 352 G N 0.023 108.901 108.800 0.130 0.000 2.148 352 G HA2 -0.256 3.704 3.960 0.000 0.000 0.254 352 G HA3 -0.256 3.704 3.960 0.000 0.000 0.254 352 G C 0.264 175.236 174.900 0.121 0.000 0.981 352 G CA 0.545 45.709 45.100 0.106 0.000 0.670 352 G HN 0.532 nan 8.290 nan 0.000 0.528 353 V N -2.562 117.459 119.914 0.178 0.000 3.040 353 V HA 0.843 4.963 4.120 0.000 0.000 0.312 353 V C 0.250 176.466 176.094 0.203 0.000 1.115 353 V CA -1.866 60.527 62.300 0.155 0.000 0.998 353 V CB 2.170 34.070 31.823 0.129 0.000 1.042 353 V HN 0.312 nan 8.190 nan 0.000 0.433 354 I N 3.304 123.949 120.570 0.124 0.000 2.304 354 I HA 0.590 4.760 4.170 0.000 0.000 0.291 354 I C 1.049 177.209 176.117 0.071 0.000 1.018 354 I CA -0.451 60.925 61.300 0.126 0.000 1.260 354 I CB 1.407 39.418 38.000 0.019 0.000 1.390 354 I HN 0.979 nan 8.210 nan 0.000 0.475 355 A N 10.098 133.022 122.820 0.172 0.000 2.567 355 A HA 0.236 4.556 4.320 0.000 0.000 0.240 355 A C -2.165 175.374 177.584 -0.074 0.000 1.053 355 A CA -0.548 51.504 52.037 0.025 0.000 0.755 355 A CB -0.579 18.557 19.000 0.228 0.000 0.978 355 A HN 0.460 nan 8.150 nan 0.000 0.507 356 P HA 0.304 nan 4.420 nan 0.000 0.279 356 P C -0.446 176.793 177.300 -0.102 0.000 1.276 356 P CA -0.257 62.775 63.100 -0.113 0.000 0.801 356 P CB 0.832 32.469 31.700 -0.105 0.000 1.127 357 T N 0.107 114.606 114.554 -0.092 0.000 2.795 357 T HA 0.569 4.919 4.350 0.000 0.000 0.282 357 T C 0.105 174.772 174.700 -0.056 0.000 0.980 357 T CA -0.226 61.829 62.100 -0.075 0.000 1.012 357 T CB 0.980 69.807 68.868 -0.068 0.000 0.936 357 T HN 0.495 nan 8.240 nan 0.000 0.457 358 A N 1.745 124.537 122.820 -0.045 0.000 2.269 358 A HA 0.818 5.138 4.320 0.000 0.000 0.319 358 A C 1.473 179.045 177.584 -0.019 0.000 1.110 358 A CA 0.092 52.119 52.037 -0.017 0.000 0.847 358 A CB -0.066 18.948 19.000 0.023 0.000 1.161 358 A HN 1.363 nan 8.150 nan 0.000 0.497 359 G N -0.717 108.088 108.800 0.007 0.000 3.163 359 G HA2 -0.262 3.698 3.960 0.000 0.000 0.227 359 G HA3 -0.262 3.698 3.960 0.000 0.000 0.227 359 G C 0.582 175.482 174.900 0.000 0.000 1.300 359 G CA 0.439 45.542 45.100 0.005 0.000 0.867 359 G HN 1.617 nan 8.290 nan 0.000 0.533 360 V N 2.549 122.457 119.914 -0.010 0.000 2.617 360 V HA 0.362 4.482 4.120 0.000 0.000 0.304 360 V C 1.729 177.831 176.094 0.013 0.000 1.040 360 V CA 1.929 64.235 62.300 0.010 0.000 1.149 360 V CB 1.117 32.954 31.823 0.024 0.000 0.914 360 V HN 1.109 nan 8.190 nan 0.000 0.487 361 T N -0.663 113.902 114.554 0.020 0.000 2.980 361 T HA 0.168 4.518 4.350 0.000 0.000 0.252 361 T C 0.655 175.364 174.700 0.014 0.000 0.962 361 T CA 0.469 62.577 62.100 0.013 0.000 0.932 361 T CB 0.507 69.381 68.868 0.010 0.000 1.188 361 T HN 0.573 nan 8.240 nan 0.000 0.500 362 S N 1.418 117.133 115.700 0.025 0.000 2.745 362 S HA 0.613 5.083 4.470 0.000 0.000 0.283 362 S C -0.950 173.673 174.600 0.038 0.000 1.170 362 S CA -0.504 57.708 58.200 0.020 0.000 1.119 362 S CB 0.969 64.174 63.200 0.009 0.000 1.035 362 S HN 0.287 nan 8.310 nan 0.000 0.483 363 V N 7.173 127.112 119.914 0.041 0.000 2.406 363 V HA 0.392 4.512 4.120 0.000 0.000 0.272 363 V C -2.030 174.058 176.094 -0.010 0.000 1.043 363 V CA -1.721 60.625 62.300 0.077 0.000 0.915 363 V CB 0.887 32.766 31.823 0.093 0.000 0.988 363 V HN 0.693 nan 8.190 nan 0.000 0.466 364 P HA 0.116 nan 4.420 nan 0.000 0.265 364 P C 0.652 177.828 177.300 -0.207 0.000 1.193 364 P CA -0.314 62.630 63.100 -0.261 0.000 0.765 364 P CB 0.574 31.916 31.700 -0.597 0.000 0.823 365 R N 3.862 124.283 120.500 -0.131 0.000 2.159 365 R HA -0.203 4.137 4.340 0.000 0.000 0.237 365 R C 1.789 178.046 176.300 -0.072 0.000 1.131 365 R CA 1.926 57.983 56.100 -0.073 0.000 0.982 365 R CB -0.977 29.291 30.300 -0.053 0.000 0.868 365 R HN 0.591 nan 8.270 nan 0.000 0.453 366 E N -0.867 119.244 120.200 -0.149 0.000 2.130 366 E HA -0.249 4.101 4.350 0.000 0.000 0.196 366 E C 0.943 177.577 176.600 0.057 0.000 0.998 366 E CA 1.367 57.709 56.400 -0.096 0.000 0.806 366 E CB -0.173 29.418 29.700 -0.182 0.000 0.738 366 E HN 0.496 nan 8.360 nan 0.000 0.459 367 Y N -0.197 120.122 120.300 0.032 0.000 2.395 367 Y HA 0.188 4.738 4.550 -0.000 0.000 0.293 367 Y C 1.718 177.609 175.900 -0.014 0.000 1.123 367 Y CA 0.634 58.753 58.100 0.031 0.000 1.227 367 Y CB -0.673 37.823 38.460 0.060 0.000 1.012 367 Y HN 0.161 nan 8.280 nan 0.000 0.552 368 G N 1.838 110.711 108.800 0.122 0.000 2.386 368 G HA2 -0.267 3.693 3.960 0.000 0.000 0.295 368 G HA3 -0.267 3.693 3.960 0.000 0.000 0.295 368 G C 0.051 174.958 174.900 0.011 0.000 0.979 368 G CA 0.697 45.826 45.100 0.049 0.000 1.193 368 G HN 0.540 nan 8.290 nan 0.000 0.508 369 I N -3.268 117.287 120.570 -0.025 0.000 2.892 369 I HA 0.761 4.931 4.170 0.000 0.000 0.306 369 I C -0.711 175.341 176.117 -0.109 0.000 1.078 369 I CA -1.603 59.629 61.300 -0.113 0.000 1.032 369 I CB 2.423 40.253 38.000 -0.283 0.000 1.229 369 I HN -0.035 nan 8.210 nan 0.000 0.435 370 D N 4.842 125.166 120.400 -0.127 0.000 2.505 370 D HA 0.342 4.982 4.640 0.000 0.000 0.242 370 D C -0.777 175.436 176.300 -0.144 0.000 1.136 370 D CA -0.194 53.741 54.000 -0.108 0.000 0.954 370 D CB 0.464 41.210 40.800 -0.089 0.000 1.002 370 D HN 0.551 nan 8.370 nan 0.000 0.512 371 L N 3.058 124.194 121.223 -0.145 0.000 2.367 371 L HA 0.236 4.576 4.340 0.000 0.000 0.275 371 L C -0.125 176.675 176.870 -0.117 0.000 1.129 371 L CA -0.639 54.108 54.840 -0.157 0.000 0.839 371 L CB 1.374 43.356 42.059 -0.128 0.000 1.133 371 L HN 0.080 nan 8.230 nan 0.000 0.453 372 V N 6.803 126.637 119.914 -0.134 0.000 2.387 372 V HA 0.206 4.326 4.120 0.000 0.000 0.260 372 V C 0.389 176.427 176.094 -0.094 0.000 1.054 372 V CA -0.003 62.229 62.300 -0.113 0.000 0.967 372 V CB 0.616 32.356 31.823 -0.138 0.000 1.036 372 V HN 0.521 nan 8.190 nan 0.000 0.481 373 L N 4.069 125.250 121.223 -0.070 0.000 2.319 373 L HA 0.883 5.223 4.340 0.000 0.000 0.267 373 L C 1.262 178.100 176.870 -0.052 0.000 1.011 373 L CA 0.090 54.896 54.840 -0.056 0.000 0.818 373 L CB 1.745 43.781 42.059 -0.039 0.000 1.316 373 L HN 0.731 nan 8.230 nan 0.000 0.432 374 G N 1.002 109.773 108.800 -0.047 0.000 3.274 374 G HA2 -0.210 3.750 3.960 0.000 0.000 0.313 374 G HA3 -0.210 3.750 3.960 0.000 0.000 0.313 374 G C 0.060 174.923 174.900 -0.061 0.000 1.295 374 G CA -0.195 44.878 45.100 -0.046 0.000 1.004 374 G HN 0.547 nan 8.290 nan 0.000 0.614 375 E N 2.474 122.638 120.200 -0.060 0.000 2.250 375 E HA 0.540 4.890 4.350 0.000 0.000 0.269 375 E C -2.284 174.271 176.600 -0.076 0.000 1.018 375 E CA -1.782 54.576 56.400 -0.070 0.000 0.873 375 E CB 0.851 30.517 29.700 -0.056 0.000 1.134 375 E HN 0.241 nan 8.360 nan 0.000 0.403 376 P HA 0.095 nan 4.420 nan 0.000 0.269 376 P C -0.401 176.870 177.300 -0.047 0.000 1.215 376 P CA 0.098 63.150 63.100 -0.080 0.000 0.780 376 P CB 0.537 32.177 31.700 -0.100 0.000 0.898 377 R N 1.540 122.021 120.500 -0.031 0.000 2.265 377 R HA 0.317 4.657 4.340 0.000 0.000 0.328 377 R C -0.414 175.889 176.300 0.005 0.000 0.969 377 R CA -0.365 55.722 56.100 -0.020 0.000 0.832 377 R CB 0.479 30.759 30.300 -0.032 0.000 1.139 377 R HN 0.491 nan 8.270 nan 0.000 0.457 378 S N 2.404 118.109 115.700 0.008 0.000 3.919 378 S HA 0.014 4.484 4.470 0.000 0.000 0.245 378 S C 0.914 175.528 174.600 0.023 0.000 1.344 378 S CA -0.380 57.835 58.200 0.025 0.000 0.896 378 S CB 0.486 63.699 63.200 0.021 0.000 1.557 378 S HN 0.743 nan 8.310 nan 0.000 0.468 379 T N -1.902 112.669 114.554 0.027 0.000 3.069 379 T HA 0.514 4.864 4.350 0.000 0.000 0.252 379 T C 0.958 175.677 174.700 0.032 0.000 1.053 379 T CA 0.113 62.226 62.100 0.021 0.000 0.964 379 T CB -0.441 68.434 68.868 0.012 0.000 1.005 379 T HN 1.592 nan 8.240 nan 0.000 0.532 380 A N 2.732 125.579 122.820 0.046 0.000 2.519 380 A HA -0.053 4.267 4.320 0.000 0.000 0.297 380 A C -1.613 176.001 177.584 0.050 0.000 1.472 380 A CA 0.121 52.188 52.037 0.050 0.000 0.739 380 A CB -2.080 16.942 19.000 0.036 0.000 1.096 380 A HN 0.608 nan 8.150 nan 0.000 0.414 381 P HA 0.195 nan 4.420 nan 0.000 0.271 381 P C 0.537 177.875 177.300 0.063 0.000 1.218 381 P CA -0.122 63.016 63.100 0.064 0.000 0.780 381 P CB 0.966 32.720 31.700 0.090 0.000 0.901 382 R N 0.730 121.261 120.500 0.052 0.000 2.394 382 R HA 0.158 4.498 4.340 0.000 0.000 0.220 382 R C -0.300 176.031 176.300 0.052 0.000 0.887 382 R CA 0.404 56.532 56.100 0.047 0.000 1.034 382 R CB 0.762 31.083 30.300 0.035 0.000 1.179 382 R HN 0.448 nan 8.270 nan 0.000 0.561 383 T N 0.564 115.151 114.554 0.055 0.000 2.879 383 T HA 0.654 5.004 4.350 0.000 0.000 0.290 383 T C -1.368 173.372 174.700 0.067 0.000 0.993 383 T CA -0.527 61.608 62.100 0.059 0.000 0.975 383 T CB 1.785 70.689 68.868 0.061 0.000 0.981 383 T HN 0.205 nan 8.240 nan 0.000 0.439 384 A N 2.824 125.683 122.820 0.066 0.000 2.365 384 A HA 0.866 5.186 4.320 0.000 0.000 0.318 384 A C -1.236 176.397 177.584 0.082 0.000 1.091 384 A CA -0.734 51.356 52.037 0.089 0.000 0.763 384 A CB 1.208 20.254 19.000 0.077 0.000 1.248 384 A HN 0.729 nan 8.150 nan 0.000 0.442 385 L N 2.951 124.242 121.223 0.114 0.000 2.313 385 L HA 0.708 5.048 4.340 0.000 0.000 0.283 385 L C -1.101 175.861 176.870 0.152 0.000 1.013 385 L CA -0.245 54.669 54.840 0.123 0.000 0.816 385 L CB 1.665 43.819 42.059 0.158 0.000 1.236 385 L HN 0.404 nan 8.230 nan 0.000 0.419 386 V N 6.546 126.525 119.914 0.108 0.000 2.417 386 V HA 0.496 4.616 4.120 0.000 0.000 0.291 386 V C 0.030 176.191 176.094 0.111 0.000 1.024 386 V CA -0.499 61.871 62.300 0.116 0.000 0.861 386 V CB 1.463 33.293 31.823 0.013 0.000 0.985 386 V HN 0.657 nan 8.190 nan 0.000 0.436 387 L N 3.848 125.150 121.223 0.132 0.000 2.330 387 L HA 1.004 5.344 4.340 0.000 0.000 0.271 387 L C -0.025 176.897 176.870 0.087 0.000 1.013 387 L CA -0.669 54.236 54.840 0.109 0.000 0.816 387 L CB 2.022 44.153 42.059 0.120 0.000 1.287 387 L HN 0.730 nan 8.230 nan 0.000 0.435 388 A N 1.995 124.857 122.820 0.070 0.000 2.513 388 A HA 0.804 5.124 4.320 0.000 0.000 0.296 388 A C -1.184 176.433 177.584 0.055 0.000 1.052 388 A CA -0.674 51.392 52.037 0.048 0.000 0.714 388 A CB 1.567 20.587 19.000 0.033 0.000 1.279 388 A HN 0.741 nan 8.150 nan 0.000 0.397 389 R N 0.361 120.881 120.500 0.034 0.000 2.778 389 R HA 0.725 5.065 4.340 0.000 0.000 0.277 389 R C 0.262 176.596 176.300 0.058 0.000 0.977 389 R CA -0.159 55.978 56.100 0.061 0.000 0.950 389 R CB 2.271 32.589 30.300 0.029 0.000 1.165 389 R HN 0.945 nan 8.270 nan 0.000 0.474 390 G N 0.612 109.512 108.800 0.167 0.000 2.452 390 G HA2 0.342 4.302 3.960 0.000 0.000 0.324 390 G HA3 0.342 4.302 3.960 0.000 0.000 0.324 390 G C -0.994 174.068 174.900 0.269 0.000 1.214 390 G CA -0.805 44.391 45.100 0.159 0.000 0.947 390 G HN 0.493 nan 8.290 nan 0.000 0.478 391 R N 0.755 121.318 120.500 0.106 0.000 2.537 391 R HA -0.003 4.337 4.340 0.000 0.000 0.281 391 R C -0.101 176.321 176.300 0.203 0.000 0.988 391 R CA 0.727 56.798 56.100 -0.048 0.000 1.077 391 R CB -0.001 30.154 30.300 -0.241 0.000 0.932 391 R HN 0.811 nan 8.270 nan 0.000 0.409 392 W N 1.973 123.370 121.300 0.161 0.000 1.266 392 W HA -0.191 4.469 4.660 0.000 0.000 0.245 392 W C 0.929 177.355 176.519 -0.155 0.000 1.005 392 W CA 0.174 57.575 57.345 0.092 0.000 0.396 392 W CB -1.635 27.968 29.460 0.238 0.000 2.016 392 W HN 0.958 nan 8.180 nan 0.000 1.120 393 G N -1.328 107.471 108.800 -0.003 0.000 2.183 393 G HA2 -0.151 3.809 3.960 0.000 0.000 0.168 393 G HA3 -0.151 3.809 3.960 0.000 0.000 0.168 393 G C -0.191 174.518 174.900 -0.319 0.000 1.008 393 G CA -0.539 44.312 45.100 -0.415 0.000 0.677 393 G HN 0.191 nan 8.290 nan 0.000 0.498 394 F N 2.123 122.162 119.950 0.148 0.000 2.495 394 F HA 0.475 5.002 4.527 0.000 0.000 0.365 394 F C 0.728 176.587 175.800 0.098 0.000 1.090 394 F CA -0.348 57.796 58.000 0.239 0.000 1.235 394 F CB 0.655 39.788 39.000 0.221 0.000 1.119 394 F HN -0.071 nan 8.300 nan 0.000 0.562 395 N N 1.633 120.483 118.700 0.251 0.000 2.284 395 N HA 0.418 5.158 4.740 0.000 0.000 0.300 395 N C -1.308 174.292 175.510 0.150 0.000 1.047 395 N CA -0.546 52.594 53.050 0.149 0.000 0.821 395 N CB 2.163 40.702 38.487 0.086 0.000 1.337 395 N HN 0.460 nan 8.380 nan 0.000 0.482 396 S N 0.232 116.001 115.700 0.115 0.000 2.548 396 S HA 0.818 5.288 4.470 0.000 0.000 0.276 396 S C -1.565 173.083 174.600 0.081 0.000 1.129 396 S CA -0.531 57.727 58.200 0.097 0.000 0.931 396 S CB 1.136 64.389 63.200 0.088 0.000 1.068 396 S HN 0.678 nan 8.310 nan 0.000 0.480 397 A N 2.514 125.378 122.820 0.074 0.000 2.449 397 A HA 0.969 5.289 4.320 0.000 0.000 0.302 397 A C -0.786 176.836 177.584 0.062 0.000 1.048 397 A CA -0.432 51.651 52.037 0.076 0.000 0.708 397 A CB 1.625 20.676 19.000 0.084 0.000 1.274 397 A HN 1.423 nan 8.150 nan 0.000 0.410 398 A N 0.791 123.647 122.820 0.059 0.000 2.427 398 A HA 0.706 5.026 4.320 0.000 0.000 0.298 398 A C -0.925 176.687 177.584 0.047 0.000 1.036 398 A CA -0.274 51.788 52.037 0.042 0.000 0.701 398 A CB 1.408 20.419 19.000 0.019 0.000 1.250 398 A HN 2.221 nan 8.150 nan 0.000 0.412 399 V N 4.035 123.976 119.914 0.046 0.000 2.459 399 V HA 0.807 4.927 4.120 0.000 0.000 0.295 399 V C -1.043 175.071 176.094 0.033 0.000 1.029 399 V CA -0.554 61.778 62.300 0.052 0.000 0.874 399 V CB 0.925 32.789 31.823 0.069 0.000 0.985 399 V HN 0.744 nan 8.190 nan 0.000 0.438 400 L N 7.093 128.331 121.223 0.025 0.000 2.346 400 L HA 0.737 5.077 4.340 0.000 0.000 0.274 400 L C 0.056 176.947 176.870 0.035 0.000 1.007 400 L CA -0.809 54.040 54.840 0.016 0.000 0.818 400 L CB 2.056 44.103 42.059 -0.021 0.000 1.284 400 L HN 0.552 nan 8.230 nan 0.000 0.424 401 R N 1.753 122.281 120.500 0.047 0.000 2.562 401 R HA 0.436 4.776 4.340 0.000 0.000 0.298 401 R C -0.564 175.785 176.300 0.082 0.000 0.961 401 R CA -1.149 54.987 56.100 0.061 0.000 0.881 401 R CB 2.241 32.578 30.300 0.062 0.000 1.159 401 R HN 0.459 nan 8.270 nan 0.000 0.450 402 R N 2.724 123.269 120.500 0.075 0.000 2.585 402 R HA 0.010 4.350 4.340 0.000 0.000 0.275 402 R C -0.006 176.375 176.300 0.134 0.000 1.018 402 R CA 0.339 56.494 56.100 0.092 0.000 1.072 402 R CB 0.014 30.349 30.300 0.057 0.000 0.953 402 R HN 0.553 nan 8.270 nan 0.000 0.419 403 F N 0.000 119.950 119.950 0.001 0.000 2.286 403 F HA 0.000 4.527 4.527 0.000 0.000 0.279 403 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 403 F CB 0.000 38.989 39.000 -0.018 0.000 1.145 403 F HN 0.000 nan 8.300 nan 0.000 0.574