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 3ifh_1_T DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.883 174.900 -0.028 0.000 0.946 3 G CA 0.000 45.081 45.100 -0.032 0.000 0.502 4 S N 0.822 116.504 115.700 -0.030 0.000 3.158 4 S HA 0.775 5.245 4.470 -0.000 0.000 0.215 4 S C -0.252 174.333 174.600 -0.025 0.000 1.359 4 S CA -0.287 57.899 58.200 -0.024 0.000 0.974 4 S CB -0.014 63.173 63.200 -0.022 0.000 1.336 4 S HN 0.366 nan 8.310 nan 0.000 0.488 5 M N 2.143 121.730 119.600 -0.021 0.000 2.324 5 M HA 0.389 4.869 4.480 -0.000 0.000 0.288 5 M C 0.196 176.491 176.300 -0.008 0.000 1.097 5 M CA -0.771 54.518 55.300 -0.017 0.000 0.928 5 M CB 2.412 34.998 32.600 -0.024 0.000 1.648 5 M HN 0.186 nan 8.290 nan 0.000 0.460 6 K N 0.535 120.934 120.400 -0.002 0.000 2.015 6 K HA -0.128 4.192 4.320 -0.000 0.000 0.216 6 K C 0.483 177.089 176.600 0.010 0.000 1.052 6 K CA 1.500 57.790 56.287 0.004 0.000 0.937 6 K CB -0.010 32.494 32.500 0.007 0.000 0.719 6 K HN 0.493 nan 8.250 nan 0.000 0.446 7 D N -0.590 119.821 120.400 0.018 0.000 2.427 7 D HA 0.110 4.750 4.640 -0.000 0.000 0.226 7 D C -2.010 174.296 176.300 0.010 0.000 1.076 7 D CA -2.293 51.724 54.000 0.030 0.000 0.849 7 D CB 1.417 42.257 40.800 0.066 0.000 1.052 7 D HN -0.082 nan 8.370 nan 0.000 0.515 8 P HA -0.079 nan 4.420 nan 0.000 0.225 8 P C 1.094 178.349 177.300 -0.075 0.000 1.156 8 P CA 0.451 63.529 63.100 -0.037 0.000 0.787 8 P CB 0.173 31.852 31.700 -0.035 0.000 0.802 9 S N -0.595 115.055 115.700 -0.084 0.000 2.555 9 S HA -0.006 4.464 4.470 -0.000 0.000 0.230 9 S C 1.869 176.220 174.600 -0.415 0.000 0.978 9 S CA 0.352 58.418 58.200 -0.224 0.000 0.934 9 S CB -1.488 61.615 63.200 -0.161 0.000 0.766 9 S HN 0.074 nan 8.310 nan 0.000 0.533 10 L N 0.057 121.182 121.223 -0.162 0.000 2.217 10 L HA 0.209 4.549 4.340 -0.000 0.000 0.211 10 L C 0.867 177.647 176.870 -0.150 0.000 1.107 10 L CA 0.223 55.010 54.840 -0.088 0.000 0.783 10 L CB -0.369 41.742 42.059 0.087 0.000 0.919 10 L HN 0.312 nan 8.230 nan 0.000 0.442 11 L N 1.869 123.001 121.223 -0.153 0.000 2.385 11 L HA 0.136 4.476 4.340 -0.000 0.000 0.281 11 L C -0.067 176.669 176.870 -0.223 0.000 1.106 11 L CA 0.474 55.238 54.840 -0.126 0.000 0.856 11 L CB -0.134 41.843 42.059 -0.136 0.000 1.186 11 L HN 0.034 nan 8.230 nan 0.000 0.453 12 R N 4.882 125.270 120.500 -0.188 0.000 2.387 12 R HA 0.328 4.668 4.340 -0.000 0.000 0.314 12 R C -0.014 176.070 176.300 -0.360 0.000 0.958 12 R CA -0.424 55.481 56.100 -0.324 0.000 0.846 12 R CB 0.949 31.067 30.300 -0.302 0.000 1.147 12 R HN 0.611 nan 8.270 nan 0.000 0.447 13 H N 0.904 119.910 119.070 -0.106 0.000 2.505 13 H HA 0.271 4.827 4.556 -0.000 0.000 0.286 13 H C -0.139 175.133 175.328 -0.093 0.000 1.072 13 H CA 0.050 56.043 56.048 -0.093 0.000 1.141 13 H CB 1.417 31.147 29.762 -0.053 0.000 1.550 13 H HN 0.369 nan 8.280 nan 0.000 0.547 14 Q N 0.253 120.071 119.800 0.030 0.000 2.423 14 Q HA 0.639 4.978 4.340 -0.000 0.000 0.278 14 Q C -0.793 175.395 176.000 0.313 0.000 1.097 14 Q CA -0.942 54.952 55.803 0.152 0.000 0.809 14 Q CB 3.412 32.270 28.738 0.201 0.000 1.391 14 Q HN 0.225 nan 8.270 nan 0.000 0.428 15 A N 1.119 124.088 122.820 0.248 0.000 2.316 15 A HA 0.374 4.694 4.320 -0.000 0.000 0.284 15 A C -1.460 176.246 177.584 0.203 0.000 1.115 15 A CA -0.159 52.002 52.037 0.207 0.000 0.812 15 A CB 0.331 19.386 19.000 0.092 0.000 1.064 15 A HN 0.619 nan 8.150 nan 0.000 0.489 16 Y N 3.080 123.258 120.300 -0.203 0.000 2.404 16 Y HA 0.495 5.045 4.550 -0.000 0.000 0.344 16 Y C -0.521 175.191 175.900 -0.313 0.000 0.970 16 Y CA -1.239 56.527 58.100 -0.557 0.000 1.180 16 Y CB 0.564 38.523 38.460 -0.835 0.000 1.138 16 Y HN 0.415 nan 8.280 nan 0.000 0.510 17 I N 4.797 125.096 120.570 -0.452 0.000 2.447 17 I HA 0.267 4.437 4.170 -0.000 0.000 0.287 17 I C 0.958 176.801 176.117 -0.455 0.000 1.023 17 I CA -0.584 60.505 61.300 -0.351 0.000 1.083 17 I CB 1.343 39.241 38.000 -0.169 0.000 1.245 17 I HN 0.833 nan 8.210 nan 0.000 0.434 18 G N 4.546 113.092 108.800 -0.424 0.000 2.337 18 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.290 18 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.290 18 G C 1.038 175.657 174.900 -0.468 0.000 1.003 18 G CA 1.019 45.899 45.100 -0.367 0.000 0.825 18 G HN 1.694 nan 8.290 nan 0.000 0.509 19 G N -1.966 106.306 108.800 -0.879 0.000 2.157 19 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.239 19 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.239 19 G C -0.092 174.476 174.900 -0.554 0.000 0.982 19 G CA 0.816 45.403 45.100 -0.854 0.000 0.650 19 G HN 1.095 nan 8.290 nan 0.000 0.527 20 E N -1.330 118.543 120.200 -0.545 0.000 2.314 20 E HA 0.469 4.819 4.350 -0.000 0.000 0.272 20 E C -0.832 175.710 176.600 -0.096 0.000 0.884 20 E CA -1.081 55.228 56.400 -0.152 0.000 0.753 20 E CB 1.345 31.029 29.700 -0.028 0.000 1.213 20 E HN 0.232 nan 8.360 nan 0.000 0.432 21 W N 1.890 123.306 121.300 0.193 0.000 2.272 21 W HA 0.285 4.945 4.660 -0.000 0.000 0.318 21 W C 0.347 176.913 176.519 0.078 0.000 1.255 21 W CA 0.005 57.454 57.345 0.173 0.000 1.200 21 W CB 0.727 30.276 29.460 0.147 0.000 1.170 21 W HN 0.274 nan 8.180 nan 0.000 0.549 22 Q N 1.436 121.413 119.800 0.294 0.000 2.462 22 Q HA 0.716 5.056 4.340 -0.000 0.000 0.285 22 Q C -0.867 175.209 176.000 0.127 0.000 1.035 22 Q CA -1.059 54.837 55.803 0.155 0.000 0.799 22 Q CB 2.428 31.213 28.738 0.078 0.000 1.452 22 Q HN 0.552 nan 8.270 nan 0.000 0.404 23 A N 0.632 123.501 122.820 0.081 0.000 2.288 23 A HA 0.884 5.204 4.320 -0.000 0.000 0.328 23 A C -0.485 177.124 177.584 0.042 0.000 1.123 23 A CA -0.150 51.919 52.037 0.053 0.000 0.861 23 A CB 0.804 19.826 19.000 0.037 0.000 1.272 23 A HN 0.770 nan 8.150 nan 0.000 0.490 24 A N 0.128 122.970 122.820 0.037 0.000 2.547 24 A HA 0.202 4.522 4.320 -0.000 0.000 0.233 24 A C 0.827 178.429 177.584 0.030 0.000 1.067 24 A CA 0.498 52.557 52.037 0.037 0.000 0.763 24 A CB -0.142 18.885 19.000 0.045 0.000 1.007 24 A HN 0.826 nan 8.150 nan 0.000 0.506 25 D N 1.027 121.442 120.400 0.026 0.000 2.092 25 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 25 D C 2.417 178.729 176.300 0.020 0.000 0.994 25 D CA 2.286 56.298 54.000 0.020 0.000 0.828 25 D CB -0.386 40.423 40.800 0.016 0.000 0.963 25 D HN 0.729 nan 8.370 nan 0.000 0.450 26 S N 0.034 115.748 115.700 0.023 0.000 2.440 26 S HA -0.226 4.244 4.470 -0.000 0.000 0.238 26 S C 0.828 175.442 174.600 0.023 0.000 1.010 26 S CA 1.258 59.472 58.200 0.023 0.000 0.972 26 S CB -0.017 63.199 63.200 0.027 0.000 0.774 26 S HN 0.208 nan 8.310 nan 0.000 0.501 27 D N 0.776 121.191 120.400 0.025 0.000 2.800 27 D HA -0.144 4.496 4.640 -0.000 0.000 0.232 27 D C 0.235 176.550 176.300 0.025 0.000 1.137 27 D CA 0.856 54.869 54.000 0.022 0.000 0.718 27 D CB -1.510 39.300 40.800 0.017 0.000 1.084 27 D HN 0.749 nan 8.370 nan 0.000 0.432 28 A N -0.693 122.148 122.820 0.036 0.000 2.262 28 A HA 0.689 5.009 4.320 -0.000 0.000 0.273 28 A C 0.793 178.407 177.584 0.049 0.000 1.202 28 A CA 0.832 52.897 52.037 0.047 0.000 0.811 28 A CB 1.148 20.185 19.000 0.062 0.000 1.159 28 A HN 0.419 nan 8.150 nan 0.000 0.505 29 T N -1.806 112.790 114.554 0.070 0.000 2.786 29 T HA 0.567 4.917 4.350 -0.000 0.000 0.316 29 T C -1.598 173.195 174.700 0.155 0.000 1.503 29 T CA -0.172 61.957 62.100 0.049 0.000 1.019 29 T CB 0.690 69.545 68.868 -0.021 0.000 1.415 29 T HN 1.475 nan 8.240 nan 0.000 0.496 30 F N 0.369 120.319 119.950 0.001 0.000 2.626 30 F HA 0.885 5.412 4.527 -0.000 0.000 0.311 30 F C -0.644 175.134 175.800 -0.038 0.000 1.088 30 F CA -1.068 56.930 58.000 -0.003 0.000 0.949 30 F CB 1.464 40.471 39.000 0.011 0.000 1.322 30 F HN 0.647 nan 8.300 nan 0.000 0.461 31 E N 1.253 121.479 120.200 0.043 0.000 2.222 31 E HA 0.698 5.048 4.350 -0.000 0.000 0.272 31 E C -1.609 174.849 176.600 -0.236 0.000 0.982 31 E CA -1.062 55.205 56.400 -0.221 0.000 0.842 31 E CB 2.095 31.596 29.700 -0.332 0.000 1.144 31 E HN 0.633 nan 8.360 nan 0.000 0.397 32 V N 3.447 123.164 119.914 -0.328 0.000 2.628 32 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 32 V C -0.763 175.101 176.094 -0.383 0.000 1.045 32 V CA -0.683 61.522 62.300 -0.159 0.000 0.905 32 V CB 1.036 32.971 31.823 0.187 0.000 0.997 32 V HN 0.546 nan 8.190 nan 0.000 0.436 33 F N 0.640 120.654 119.950 0.107 0.000 2.594 33 F HA 0.512 5.039 4.527 -0.000 0.000 0.335 33 F C 0.323 176.121 175.800 -0.003 0.000 1.058 33 F CA -0.929 57.096 58.000 0.041 0.000 0.981 33 F CB 1.028 40.048 39.000 0.034 0.000 1.289 33 F HN 0.416 nan 8.300 nan 0.000 0.490 34 D N 2.062 122.572 120.400 0.184 0.000 2.256 34 D HA 0.224 4.864 4.640 -0.000 0.000 0.250 34 D C -1.838 174.454 176.300 -0.013 0.000 1.093 34 D CA -1.903 52.119 54.000 0.036 0.000 0.882 34 D CB 1.844 42.638 40.800 -0.009 0.000 1.185 34 D HN 0.161 nan 8.370 nan 0.000 0.437 35 P HA 0.139 nan 4.420 nan 0.000 0.251 35 P C 0.424 177.585 177.300 -0.232 0.000 1.223 35 P CA 0.112 63.128 63.100 -0.140 0.000 0.796 35 P CB 0.628 32.224 31.700 -0.174 0.000 1.068 36 A N 0.715 123.422 122.820 -0.189 0.000 1.901 36 A HA 0.024 4.344 4.320 -0.000 0.000 0.210 36 A C 2.086 179.643 177.584 -0.047 0.000 1.208 36 A CA 1.922 53.911 52.037 -0.079 0.000 0.644 36 A CB -1.180 17.863 19.000 0.073 0.000 0.863 36 A HN 0.300 nan 8.150 nan 0.000 0.454 37 T N -5.573 108.845 114.554 -0.225 0.000 2.990 37 T HA 0.425 4.775 4.350 -0.000 0.000 0.250 37 T C 1.483 175.823 174.700 -0.601 0.000 1.041 37 T CA 1.152 63.053 62.100 -0.333 0.000 1.010 37 T CB 0.508 69.320 68.868 -0.093 0.000 1.003 37 T HN 1.684 nan 8.240 nan 0.000 0.499 38 G N 2.390 110.904 108.800 -0.476 0.000 2.234 38 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 38 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 38 G C -0.047 174.846 174.900 -0.011 0.000 0.987 38 G CA 0.295 45.271 45.100 -0.206 0.000 0.625 38 G HN 1.040 nan 8.290 nan 0.000 0.532 39 E N 0.979 121.194 120.200 0.024 0.000 2.383 39 E HA 0.503 4.852 4.350 -0.000 0.000 0.264 39 E C 0.568 177.315 176.600 0.245 0.000 1.050 39 E CA 0.110 56.578 56.400 0.115 0.000 0.896 39 E CB 1.044 30.778 29.700 0.057 0.000 0.982 39 E HN 0.449 nan 8.360 nan 0.000 0.424 40 S N 0.842 116.736 115.700 0.323 0.000 2.563 40 S HA 0.097 4.567 4.470 -0.000 0.000 0.284 40 S C 0.676 175.302 174.600 0.043 0.000 1.331 40 S CA 0.259 58.597 58.200 0.231 0.000 1.047 40 S CB 0.576 63.858 63.200 0.137 0.000 0.859 40 S HN 0.686 nan 8.310 nan 0.000 0.514 41 L N 2.682 123.874 121.223 -0.053 0.000 2.701 41 L HA 0.719 5.059 4.340 -0.000 0.000 0.238 41 L C 1.315 178.155 176.870 -0.051 0.000 1.106 41 L CA 0.758 55.532 54.840 -0.109 0.000 0.898 41 L CB -1.425 40.506 42.059 -0.213 0.000 1.188 41 L HN 1.451 nan 8.230 nan 0.000 0.508 42 G N -1.304 107.492 108.800 -0.007 0.000 2.334 42 G HA2 0.449 4.409 3.960 -0.000 0.000 0.315 42 G HA3 0.449 4.409 3.960 -0.000 0.000 0.315 42 G C -0.214 174.733 174.900 0.079 0.000 1.284 42 G CA 0.495 45.658 45.100 0.105 0.000 0.985 42 G HN 1.459 nan 8.290 nan 0.000 0.504 43 T N -2.405 112.210 114.554 0.102 0.000 2.940 43 T HA 0.935 5.285 4.350 -0.000 0.000 0.288 43 T C 0.220 174.872 174.700 -0.079 0.000 1.033 43 T CA 0.041 62.103 62.100 -0.064 0.000 1.033 43 T CB 1.647 70.451 68.868 -0.106 0.000 1.079 43 T HN 2.195 nan 8.240 nan 0.000 0.496 44 V N -2.481 117.203 119.914 -0.382 0.000 3.130 44 V HA 0.801 4.921 4.120 -0.000 0.000 0.310 44 V C -3.188 172.674 176.094 -0.388 0.000 1.158 44 V CA -3.259 58.789 62.300 -0.420 0.000 1.029 44 V CB 1.250 32.698 31.823 -0.625 0.000 1.057 44 V HN 0.717 nan 8.190 nan 0.000 0.436 45 P HA 0.214 nan 4.420 nan 0.000 0.269 45 P C -0.922 176.405 177.300 0.045 0.000 1.209 45 P CA -0.051 63.016 63.100 -0.056 0.000 0.776 45 P CB 0.383 32.087 31.700 0.007 0.000 0.876 46 K N 3.825 124.312 120.400 0.144 0.000 2.526 46 K HA 0.272 4.592 4.320 -0.000 0.000 0.214 46 K C -0.259 176.430 176.600 0.149 0.000 1.088 46 K CA -0.157 56.296 56.287 0.277 0.000 1.058 46 K CB -0.263 32.413 32.500 0.294 0.000 1.653 46 K HN 0.460 nan 8.250 nan 0.000 0.521 47 M N 0.273 119.949 119.600 0.127 0.000 2.227 47 M HA 0.407 4.887 4.480 -0.000 0.000 0.316 47 M C 0.822 177.158 176.300 0.061 0.000 1.144 47 M CA -0.420 54.925 55.300 0.075 0.000 1.121 47 M CB 1.259 33.894 32.600 0.058 0.000 1.440 47 M HN 0.483 nan 8.290 nan 0.000 0.473 48 G N -0.577 108.246 108.800 0.037 0.000 2.933 48 G HA2 0.566 4.526 3.960 -0.000 0.000 0.203 48 G HA3 0.566 4.526 3.960 -0.000 0.000 0.203 48 G C 0.361 175.269 174.900 0.013 0.000 1.170 48 G CA 0.014 45.129 45.100 0.024 0.000 0.880 48 G HN 0.740 nan 8.290 nan 0.000 0.573 49 A N 0.061 122.885 122.820 0.007 0.000 1.873 49 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 49 A C 2.817 180.400 177.584 -0.002 0.000 1.269 49 A CA 4.025 56.062 52.037 0.000 0.000 0.671 49 A CB -1.418 17.582 19.000 -0.001 0.000 0.842 49 A HN 1.868 nan 8.150 nan 0.000 0.460 50 A N -0.853 121.968 122.820 0.000 0.000 1.927 50 A HA -0.229 4.090 4.320 -0.000 0.000 0.220 50 A C 1.856 179.436 177.584 -0.007 0.000 1.185 50 A CA 2.362 54.398 52.037 -0.003 0.000 0.639 50 A CB -0.592 18.409 19.000 0.001 0.000 0.820 50 A HN 0.666 nan 8.150 nan 0.000 0.451 51 E N -1.266 118.931 120.200 -0.004 0.000 2.250 51 E HA 0.017 4.367 4.350 -0.000 0.000 0.192 51 E C 1.994 178.581 176.600 -0.021 0.000 0.986 51 E CA 1.044 57.437 56.400 -0.012 0.000 0.849 51 E CB -0.349 29.350 29.700 -0.002 0.000 0.797 51 E HN 0.553 nan 8.360 nan 0.000 0.482 52 T N 0.897 115.443 114.554 -0.014 0.000 2.674 52 T HA -0.177 4.173 4.350 -0.000 0.000 0.265 52 T C 2.073 176.755 174.700 -0.029 0.000 1.039 52 T CA 1.456 63.545 62.100 -0.019 0.000 1.150 52 T CB -0.469 68.394 68.868 -0.010 0.000 0.864 52 T HN 0.280 nan 8.240 nan 0.000 0.427 53 A N 1.635 124.441 122.820 -0.024 0.000 1.917 53 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 53 A C 2.361 179.925 177.584 -0.034 0.000 1.182 53 A CA 1.938 53.959 52.037 -0.027 0.000 0.633 53 A CB -0.643 18.345 19.000 -0.020 0.000 0.819 53 A HN 0.389 nan 8.150 nan 0.000 0.448 54 R N -0.780 119.699 120.500 -0.035 0.000 2.080 54 R HA -0.135 4.205 4.340 -0.000 0.000 0.236 54 R C 2.526 178.787 176.300 -0.064 0.000 1.137 54 R CA 1.476 57.550 56.100 -0.044 0.000 0.943 54 R CB -0.503 29.772 30.300 -0.042 0.000 0.846 54 R HN 0.527 nan 8.270 nan 0.000 0.431 55 A N 0.916 123.690 122.820 -0.077 0.000 1.917 55 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 55 A C 2.126 179.653 177.584 -0.095 0.000 1.182 55 A CA 1.631 53.605 52.037 -0.105 0.000 0.633 55 A CB -0.653 18.284 19.000 -0.105 0.000 0.819 55 A HN 0.299 nan 8.150 nan 0.000 0.448 56 I N -0.964 119.563 120.570 -0.073 0.000 2.454 56 I HA -0.226 3.944 4.170 -0.000 0.000 0.254 56 I C 2.422 178.505 176.117 -0.058 0.000 1.156 56 I CA 1.482 62.741 61.300 -0.068 0.000 1.433 56 I CB -0.322 37.645 38.000 -0.055 0.000 1.082 56 I HN 0.418 nan 8.210 nan 0.000 0.432 57 E N 0.820 120.991 120.200 -0.049 0.000 2.076 57 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 57 E C 2.383 178.962 176.600 -0.035 0.000 0.979 57 E CA 0.999 57.379 56.400 -0.033 0.000 0.807 57 E CB -0.080 29.605 29.700 -0.026 0.000 0.761 57 E HN 0.455 nan 8.360 nan 0.000 0.454 58 A N 1.116 123.901 122.820 -0.058 0.000 1.930 58 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 58 A C 2.319 179.862 177.584 -0.067 0.000 1.175 58 A CA 1.569 53.565 52.037 -0.070 0.000 0.627 58 A CB -0.591 18.343 19.000 -0.110 0.000 0.815 58 A HN 0.303 nan 8.150 nan 0.000 0.443 59 A N -0.860 121.910 122.820 -0.083 0.000 1.902 59 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 59 A C 2.189 179.763 177.584 -0.017 0.000 1.181 59 A CA 1.748 53.733 52.037 -0.088 0.000 0.623 59 A CB -0.552 18.374 19.000 -0.123 0.000 0.818 59 A HN 0.648 nan 8.150 nan 0.000 0.443 60 Q N -0.639 119.163 119.800 0.002 0.000 2.020 60 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 60 Q C 2.283 178.375 176.000 0.153 0.000 0.982 60 Q CA 1.608 57.465 55.803 0.089 0.000 0.838 60 Q CB -0.358 28.417 28.738 0.062 0.000 0.899 60 Q HN 0.606 nan 8.270 nan 0.000 0.423 61 A N 0.459 123.327 122.820 0.080 0.000 2.032 61 A HA -0.160 4.160 4.320 -0.000 0.000 0.221 61 A C 2.075 179.711 177.584 0.088 0.000 1.165 61 A CA 1.766 53.846 52.037 0.071 0.000 0.645 61 A CB -0.670 18.346 19.000 0.028 0.000 0.807 61 A HN 0.529 nan 8.150 nan 0.000 0.453 62 A N -2.471 120.402 122.820 0.089 0.000 2.169 62 A HA 0.083 4.403 4.320 -0.000 0.000 0.212 62 A C 1.704 179.427 177.584 0.232 0.000 1.153 62 A CA 0.906 53.004 52.037 0.101 0.000 0.756 62 A CB -0.612 18.395 19.000 0.011 0.000 0.813 62 A HN 0.773 nan 8.150 nan 0.000 0.471 63 W N 1.241 122.569 121.300 0.047 0.000 2.358 63 W HA -0.157 4.503 4.660 -0.000 0.000 0.303 63 W C 2.256 178.851 176.519 0.126 0.000 1.208 63 W CA 1.390 58.795 57.345 0.101 0.000 1.274 63 W CB -0.542 28.958 29.460 0.066 0.000 1.138 63 W HN 0.351 nan 8.180 nan 0.000 0.515 64 A N 0.166 123.024 122.820 0.064 0.000 1.898 64 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 64 A C 2.264 179.828 177.584 -0.034 0.000 1.181 64 A CA 1.924 53.893 52.037 -0.113 0.000 0.620 64 A CB -1.472 17.482 19.000 -0.077 0.000 0.819 64 A HN 0.354 nan 8.150 nan 0.000 0.442 65 G N -2.494 106.347 108.800 0.067 0.000 2.712 65 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.212 65 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.212 65 G C 1.351 176.351 174.900 0.166 0.000 1.142 65 G CA 0.608 45.758 45.100 0.085 0.000 0.789 65 G HN 0.676 nan 8.290 nan 0.000 0.535 66 W N 2.221 123.532 121.300 0.019 0.000 2.539 66 W HA 0.012 4.672 4.660 -0.000 0.000 0.281 66 W C 2.475 179.015 176.519 0.033 0.000 1.220 66 W CA 0.684 58.057 57.345 0.046 0.000 1.332 66 W CB 0.171 29.696 29.460 0.108 0.000 1.095 66 W HN 0.277 nan 8.180 nan 0.000 0.571 67 R N 0.209 120.704 120.500 -0.008 0.000 2.115 67 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 67 R C 1.964 178.153 176.300 -0.185 0.000 1.100 67 R CA 1.042 57.052 56.100 -0.150 0.000 0.980 67 R CB -1.044 29.151 30.300 -0.175 0.000 0.875 67 R HN 0.164 nan 8.270 nan 0.000 0.445 68 M N 1.312 120.824 119.600 -0.146 0.000 2.358 68 M HA -0.000 4.480 4.480 -0.000 0.000 0.264 68 M C 0.267 176.487 176.300 -0.134 0.000 1.064 68 M CA 1.165 56.390 55.300 -0.125 0.000 1.093 68 M CB -0.001 32.545 32.600 -0.090 0.000 1.401 68 M HN 0.103 nan 8.290 nan 0.000 0.440 69 K N 1.057 121.347 120.400 -0.183 0.000 2.258 69 K HA 0.068 4.388 4.320 -0.000 0.000 0.264 69 K C 0.575 177.044 176.600 -0.219 0.000 1.007 69 K CA -0.083 56.080 56.287 -0.207 0.000 0.941 69 K CB 0.534 32.854 32.500 -0.300 0.000 0.966 69 K HN 0.189 nan 8.250 nan 0.000 0.480 70 T N -1.367 113.087 114.554 -0.167 0.000 2.828 70 T HA 0.186 4.536 4.350 -0.000 0.000 0.290 70 T C 1.395 175.993 174.700 -0.170 0.000 1.019 70 T CA -0.317 61.697 62.100 -0.143 0.000 1.031 70 T CB 1.290 70.099 68.868 -0.098 0.000 1.001 70 T HN 0.566 nan 8.240 nan 0.000 0.531 71 A N 0.965 123.705 122.820 -0.132 0.000 1.940 71 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 71 A C 2.417 179.943 177.584 -0.097 0.000 1.176 71 A CA 1.837 53.804 52.037 -0.116 0.000 0.631 71 A CB -0.925 18.027 19.000 -0.080 0.000 0.814 71 A HN 0.944 nan 8.150 nan 0.000 0.446 72 K N -0.552 119.799 120.400 -0.082 0.000 2.009 72 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 72 K C 2.036 178.599 176.600 -0.061 0.000 1.049 72 K CA 1.912 58.162 56.287 -0.061 0.000 0.929 72 K CB -0.199 32.270 32.500 -0.052 0.000 0.714 72 K HN 0.647 nan 8.250 nan 0.000 0.440 73 E N -0.167 119.979 120.200 -0.089 0.000 2.150 73 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 73 E C 2.089 178.618 176.600 -0.119 0.000 0.985 73 E CA 0.861 57.207 56.400 -0.090 0.000 0.814 73 E CB 0.113 29.747 29.700 -0.109 0.000 0.752 73 E HN 0.210 nan 8.360 nan 0.000 0.466 74 R N 0.182 120.554 120.500 -0.214 0.000 2.093 74 R HA 0.028 4.368 4.340 -0.000 0.000 0.224 74 R C 2.335 178.633 176.300 -0.003 0.000 1.101 74 R CA 0.899 56.845 56.100 -0.256 0.000 0.979 74 R CB -0.144 29.864 30.300 -0.487 0.000 0.877 74 R HN 0.071 nan 8.270 nan 0.000 0.441 75 A N 1.353 124.166 122.820 -0.011 0.000 1.969 75 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 75 A C 2.340 179.965 177.584 0.068 0.000 1.169 75 A CA 1.561 53.622 52.037 0.040 0.000 0.635 75 A CB -0.465 18.533 19.000 -0.005 0.000 0.810 75 A HN 0.371 nan 8.150 nan 0.000 0.445 76 A N 0.037 122.885 122.820 0.048 0.000 1.902 76 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 76 A C 2.109 179.764 177.584 0.117 0.000 1.181 76 A CA 1.512 53.590 52.037 0.068 0.000 0.623 76 A CB -0.574 18.450 19.000 0.041 0.000 0.818 76 A HN 0.493 nan 8.150 nan 0.000 0.443 77 I N -0.347 120.306 120.570 0.137 0.000 2.142 77 I HA -0.273 3.897 4.170 -0.000 0.000 0.240 77 I C 2.298 178.567 176.117 0.253 0.000 1.078 77 I CA 1.323 62.738 61.300 0.193 0.000 1.343 77 I CB -0.313 37.848 38.000 0.269 0.000 1.046 77 I HN 0.285 nan 8.210 nan 0.000 0.405 78 L N 0.043 121.441 121.223 0.292 0.000 2.191 78 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 78 L C 2.648 179.746 176.870 0.379 0.000 1.103 78 L CA 1.025 56.105 54.840 0.399 0.000 0.769 78 L CB -0.544 41.737 42.059 0.370 0.000 0.908 78 L HN 0.212 nan 8.230 nan 0.000 0.438 79 R N 0.277 120.935 120.500 0.263 0.000 2.090 79 R HA -0.074 4.266 4.340 -0.000 0.000 0.228 79 R C 2.427 178.913 176.300 0.311 0.000 1.110 79 R CA 0.959 57.215 56.100 0.259 0.000 0.973 79 R CB 0.014 30.407 30.300 0.155 0.000 0.869 79 R HN 0.212 nan 8.270 nan 0.000 0.440 80 R N -0.960 119.693 120.500 0.256 0.000 2.148 80 R HA -0.159 4.181 4.340 -0.000 0.000 0.227 80 R C 1.702 178.176 176.300 0.290 0.000 1.103 80 R CA 1.218 57.449 56.100 0.219 0.000 0.983 80 R CB -0.259 30.136 30.300 0.158 0.000 0.874 80 R HN 0.336 nan 8.270 nan 0.000 0.451 81 W N 0.809 122.187 121.300 0.129 0.000 2.407 81 W HA -0.160 4.500 4.660 -0.000 0.000 0.305 81 W C 1.838 178.443 176.519 0.145 0.000 1.196 81 W CA 0.503 57.917 57.345 0.116 0.000 1.311 81 W CB -0.891 28.646 29.460 0.129 0.000 1.135 81 W HN -0.048 nan 8.180 nan 0.000 0.514 82 F N 2.005 122.026 119.950 0.119 0.000 2.091 82 F HA -0.299 4.228 4.527 -0.000 0.000 0.299 82 F C 2.018 177.821 175.800 0.004 0.000 1.103 82 F CA 2.676 60.666 58.000 -0.016 0.000 1.228 82 F CB -0.750 38.269 39.000 0.031 0.000 0.984 82 F HN -0.225 nan 8.300 nan 0.000 0.477 83 D N 0.491 120.885 120.400 -0.010 0.000 2.117 83 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 83 D C 2.477 178.704 176.300 -0.121 0.000 0.987 83 D CA 1.581 55.510 54.000 -0.119 0.000 0.829 83 D CB -0.553 40.278 40.800 0.051 0.000 0.961 83 D HN 0.351 nan 8.370 nan 0.000 0.460 84 L N 0.247 121.458 121.223 -0.019 0.000 2.093 84 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 84 L C 2.508 179.348 176.870 -0.049 0.000 1.085 84 L CA 0.419 55.260 54.840 0.000 0.000 0.755 84 L CB -0.243 41.865 42.059 0.082 0.000 0.904 84 L HN -0.063 nan 8.230 nan 0.000 0.435 85 V N 0.165 120.010 119.914 -0.116 0.000 2.295 85 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 85 V C 2.439 178.426 176.094 -0.179 0.000 1.049 85 V CA 1.512 63.715 62.300 -0.162 0.000 1.024 85 V CB -0.353 31.310 31.823 -0.266 0.000 0.648 85 V HN 0.293 nan 8.190 nan 0.000 0.447 86 I N 0.721 121.114 120.570 -0.296 0.000 2.208 86 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 86 I C 2.606 178.640 176.117 -0.138 0.000 1.097 86 I CA 2.053 63.196 61.300 -0.261 0.000 1.363 86 I CB -1.480 36.286 38.000 -0.390 0.000 1.051 86 I HN 0.347 nan 8.210 nan 0.000 0.413 87 A N 0.251 123.004 122.820 -0.112 0.000 2.168 87 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 87 A C 1.562 179.128 177.584 -0.029 0.000 1.152 87 A CA 1.051 53.054 52.037 -0.056 0.000 0.716 87 A CB -0.409 18.568 19.000 -0.038 0.000 0.794 87 A HN 0.479 nan 8.150 nan 0.000 0.465 88 N N -0.614 118.069 118.700 -0.028 0.000 2.365 88 N HA 0.013 4.753 4.740 -0.000 0.000 0.257 88 N C 1.239 176.747 175.510 -0.004 0.000 1.287 88 N CA 0.785 53.835 53.050 -0.001 0.000 0.882 88 N CB 0.679 39.184 38.487 0.028 0.000 1.250 88 N HN 0.533 nan 8.380 nan 0.000 0.507 89 S N 0.612 116.299 115.700 -0.022 0.000 2.370 89 S HA -0.168 4.302 4.470 -0.000 0.000 0.226 89 S C 1.200 175.799 174.600 -0.001 0.000 1.033 89 S CA 1.374 59.565 58.200 -0.015 0.000 1.011 89 S CB -0.164 63.022 63.200 -0.024 0.000 0.852 89 S HN 0.132 nan 8.310 nan 0.000 0.457 90 D N 2.267 122.666 120.400 -0.003 0.000 2.078 90 D HA -0.083 4.557 4.640 -0.000 0.000 0.193 90 D C 1.815 178.115 176.300 0.001 0.000 0.990 90 D CA 1.573 55.573 54.000 -0.001 0.000 0.827 90 D CB -0.443 40.355 40.800 -0.002 0.000 0.975 90 D HN 0.413 nan 8.370 nan 0.000 0.451 91 D N 0.399 120.801 120.400 0.004 0.000 2.106 91 D HA -0.157 4.483 4.640 -0.000 0.000 0.191 91 D C 2.326 178.631 176.300 0.009 0.000 0.997 91 D CA 0.808 54.811 54.000 0.005 0.000 0.834 91 D CB -0.378 40.431 40.800 0.016 0.000 0.956 91 D HN 0.173 nan 8.370 nan 0.000 0.448 92 L N 1.054 122.290 121.223 0.022 0.000 2.043 92 L HA -0.224 4.116 4.340 -0.000 0.000 0.212 92 L C 2.682 179.567 176.870 0.024 0.000 1.075 92 L CA 1.424 56.283 54.840 0.033 0.000 0.752 92 L CB -0.379 41.702 42.059 0.037 0.000 0.891 92 L HN -0.009 nan 8.230 nan 0.000 0.432 93 A N -0.618 122.212 122.820 0.015 0.000 1.902 93 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 93 A C 2.209 179.792 177.584 -0.002 0.000 1.181 93 A CA 1.647 53.691 52.037 0.011 0.000 0.623 93 A CB -0.673 18.332 19.000 0.009 0.000 0.818 93 A HN 0.303 nan 8.150 nan 0.000 0.443 94 L N 0.040 121.257 121.223 -0.010 0.000 1.976 94 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 94 L C 2.368 179.215 176.870 -0.039 0.000 1.071 94 L CA 1.890 56.715 54.840 -0.025 0.000 0.746 94 L CB -0.401 41.639 42.059 -0.031 0.000 0.890 94 L HN 0.459 nan 8.230 nan 0.000 0.432 95 I N -1.024 119.522 120.570 -0.040 0.000 2.181 95 I HA -0.396 3.773 4.170 -0.000 0.000 0.247 95 I C 2.453 178.555 176.117 -0.025 0.000 1.081 95 I CA 1.763 63.029 61.300 -0.057 0.000 1.340 95 I CB -0.418 37.574 38.000 -0.014 0.000 1.036 95 I HN 0.351 nan 8.210 nan 0.000 0.417 96 L N -0.020 121.207 121.223 0.007 0.000 1.988 96 L HA -0.207 4.133 4.340 -0.000 0.000 0.207 96 L C 2.664 179.529 176.870 -0.009 0.000 1.071 96 L CA 1.891 56.742 54.840 0.019 0.000 0.744 96 L CB -0.463 41.611 42.059 0.024 0.000 0.893 96 L HN 0.161 nan 8.230 nan 0.000 0.433 97 T N -0.767 113.773 114.554 -0.022 0.000 2.653 97 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 97 T C 1.680 176.355 174.700 -0.041 0.000 1.035 97 T CA 2.148 64.228 62.100 -0.033 0.000 1.154 97 T CB -0.475 68.378 68.868 -0.026 0.000 0.862 97 T HN 0.488 nan 8.240 nan 0.000 0.441 98 T N 2.064 116.589 114.554 -0.049 0.000 2.708 98 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 98 T C 2.015 176.680 174.700 -0.058 0.000 1.037 98 T CA 1.635 63.696 62.100 -0.065 0.000 1.146 98 T CB -0.292 68.515 68.868 -0.102 0.000 0.865 98 T HN 0.780 nan 8.240 nan 0.000 0.435 99 E N 0.267 120.442 120.200 -0.041 0.000 2.299 99 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 99 E C 2.220 178.828 176.600 0.013 0.000 0.998 99 E CA 0.506 56.913 56.400 0.010 0.000 0.851 99 E CB 0.001 29.759 29.700 0.095 0.000 0.795 99 E HN 0.312 nan 8.360 nan 0.000 0.492 100 Q N -0.033 119.763 119.800 -0.007 0.000 2.471 100 Q HA 0.104 4.444 4.340 -0.000 0.000 0.241 100 Q C 1.271 177.226 176.000 -0.074 0.000 0.886 100 Q CA 1.445 57.238 55.803 -0.017 0.000 0.953 100 Q CB 1.301 30.055 28.738 0.026 0.000 1.108 100 Q HN 0.420 nan 8.270 nan 0.000 0.575 101 G N 1.754 110.506 108.800 -0.080 0.000 2.428 101 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.199 101 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.199 101 G C -0.057 174.790 174.900 -0.089 0.000 1.005 101 G CA 0.055 45.088 45.100 -0.112 0.000 0.671 101 G HN 0.382 nan 8.290 nan 0.000 0.485 102 K N 2.165 122.513 120.400 -0.087 0.000 2.436 102 K HA 0.454 4.774 4.320 -0.000 0.000 0.275 102 K C -2.256 174.315 176.600 -0.049 0.000 0.999 102 K CA -0.895 55.343 56.287 -0.082 0.000 0.980 102 K CB 0.665 33.083 32.500 -0.136 0.000 0.919 102 K HN 0.149 nan 8.250 nan 0.000 0.484 103 P HA -0.132 nan 4.420 nan 0.000 0.269 103 P C 0.892 178.184 177.300 -0.012 0.000 1.211 103 P CA -0.024 63.069 63.100 -0.011 0.000 0.781 103 P CB 0.485 32.184 31.700 -0.002 0.000 0.877 104 L N 1.324 122.544 121.223 -0.005 0.000 2.012 104 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 104 L C 2.432 179.305 176.870 0.004 0.000 1.073 104 L CA 2.318 57.157 54.840 -0.002 0.000 0.748 104 L CB -0.978 41.081 42.059 -0.001 0.000 0.891 104 L HN 0.413 nan 8.230 nan 0.000 0.431 105 A N -0.796 122.028 122.820 0.006 0.000 2.070 105 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 105 A C 2.075 179.670 177.584 0.018 0.000 1.159 105 A CA 1.523 53.568 52.037 0.012 0.000 0.656 105 A CB -0.306 18.701 19.000 0.011 0.000 0.800 105 A HN 0.501 nan 8.150 nan 0.000 0.453 106 E N -0.706 119.500 120.200 0.010 0.000 2.140 106 E HA 0.087 4.437 4.350 -0.000 0.000 0.191 106 E C 2.321 178.932 176.600 0.018 0.000 0.973 106 E CA 0.608 57.015 56.400 0.011 0.000 0.829 106 E CB -0.139 29.548 29.700 -0.021 0.000 0.781 106 E HN 0.585 nan 8.360 nan 0.000 0.466 107 A N 1.775 124.595 122.820 0.001 0.000 1.898 107 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 107 A C 1.948 179.559 177.584 0.045 0.000 1.181 107 A CA 1.156 53.201 52.037 0.013 0.000 0.620 107 A CB -0.226 18.771 19.000 -0.005 0.000 0.819 107 A HN -0.002 nan 8.150 nan 0.000 0.442 108 K N -0.627 119.793 120.400 0.034 0.000 2.103 108 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 108 K C 2.093 178.730 176.600 0.062 0.000 1.048 108 K CA 1.120 57.430 56.287 0.038 0.000 0.930 108 K CB -0.430 32.085 32.500 0.025 0.000 0.716 108 K HN 0.492 nan 8.250 nan 0.000 0.444 109 G N 1.606 110.449 108.800 0.071 0.000 2.484 109 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.215 109 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.215 109 G C 1.305 176.307 174.900 0.170 0.000 1.219 109 G CA 1.110 46.268 45.100 0.097 0.000 0.791 109 G HN 0.493 nan 8.290 nan 0.000 0.550 110 E N 0.022 120.355 120.200 0.221 0.000 2.171 110 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 110 E C 2.332 179.100 176.600 0.280 0.000 0.997 110 E CA 1.015 57.635 56.400 0.367 0.000 0.810 110 E CB -0.145 29.805 29.700 0.417 0.000 0.738 110 E HN 0.347 nan 8.360 nan 0.000 0.467 111 I N 1.217 121.885 120.570 0.164 0.000 2.252 111 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 111 I C 2.547 178.723 176.117 0.097 0.000 1.102 111 I CA 1.262 62.622 61.300 0.099 0.000 1.385 111 I CB -1.557 36.473 38.000 0.050 0.000 1.064 111 I HN 0.257 nan 8.210 nan 0.000 0.414 112 A N 0.047 122.938 122.820 0.119 0.000 1.898 112 A HA -0.266 4.054 4.320 -0.000 0.000 0.216 112 A C 2.343 180.043 177.584 0.193 0.000 1.181 112 A CA 1.195 53.304 52.037 0.121 0.000 0.620 112 A CB -1.074 17.987 19.000 0.103 0.000 0.819 112 A HN 0.414 nan 8.150 nan 0.000 0.442 113 Y N 0.851 121.199 120.300 0.079 0.000 2.165 113 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 113 Y C 2.650 178.671 175.900 0.201 0.000 1.155 113 Y CA 1.139 59.301 58.100 0.103 0.000 1.164 113 Y CB -0.713 37.804 38.460 0.095 0.000 0.978 113 Y HN 0.305 nan 8.280 nan 0.000 0.513 114 A N -0.145 122.761 122.820 0.144 0.000 1.968 114 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 114 A C 2.438 180.051 177.584 0.047 0.000 1.169 114 A CA 1.522 53.575 52.037 0.027 0.000 0.638 114 A CB -1.295 17.702 19.000 -0.005 0.000 0.812 114 A HN 0.538 nan 8.150 nan 0.000 0.446 115 A N 0.551 123.424 122.820 0.088 0.000 1.855 115 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 115 A C 2.551 180.345 177.584 0.350 0.000 1.191 115 A CA 2.383 54.542 52.037 0.205 0.000 0.613 115 A CB -1.152 17.922 19.000 0.123 0.000 0.829 115 A HN 1.026 nan 8.150 nan 0.000 0.442 116 S N -0.871 114.954 115.700 0.209 0.000 2.387 116 S HA -0.212 4.258 4.470 -0.000 0.000 0.230 116 S C 1.782 176.302 174.600 -0.133 0.000 1.035 116 S CA 1.676 59.880 58.200 0.007 0.000 1.014 116 S CB -0.847 62.302 63.200 -0.085 0.000 0.836 116 S HN 0.346 nan 8.310 nan 0.000 0.466 117 F N 1.835 121.692 119.950 -0.155 0.000 2.069 117 F HA 0.034 4.561 4.527 -0.000 0.000 0.298 117 F C 2.349 178.131 175.800 -0.030 0.000 1.113 117 F CA 1.365 59.249 58.000 -0.193 0.000 1.214 117 F CB -0.623 38.241 39.000 -0.228 0.000 0.978 117 F HN 0.161 nan 8.300 nan 0.000 0.474 118 I N -0.193 120.504 120.570 0.210 0.000 2.118 118 I HA -0.358 3.812 4.170 -0.000 0.000 0.241 118 I C 2.516 178.719 176.117 0.142 0.000 1.070 118 I CA 1.883 63.304 61.300 0.202 0.000 1.327 118 I CB -0.612 37.401 38.000 0.022 0.000 1.034 118 I HN 0.218 nan 8.210 nan 0.000 0.405 119 E N 0.909 121.072 120.200 -0.062 0.000 2.021 119 E HA -0.316 4.034 4.350 -0.000 0.000 0.200 119 E C 2.183 178.690 176.600 -0.155 0.000 1.015 119 E CA 2.105 58.307 56.400 -0.330 0.000 0.824 119 E CB -0.438 28.737 29.700 -0.875 0.000 0.762 119 E HN 0.601 nan 8.360 nan 0.000 0.454 120 W N 0.470 121.559 121.300 -0.351 0.000 2.290 120 W HA -0.295 4.365 4.660 -0.000 0.000 0.318 120 W C 1.673 178.027 176.519 -0.274 0.000 1.248 120 W CA 1.540 58.644 57.345 -0.401 0.000 1.263 120 W CB -0.554 28.511 29.460 -0.657 0.000 1.147 120 W HN 0.186 nan 8.180 nan 0.000 0.494 121 F N 0.803 120.810 119.950 0.095 0.000 2.407 121 F HA 0.002 4.529 4.527 -0.000 0.000 0.299 121 F C 2.696 178.476 175.800 -0.034 0.000 1.097 121 F CA 1.405 59.421 58.000 0.027 0.000 1.422 121 F CB -1.540 37.555 39.000 0.158 0.000 1.067 121 F HN -0.083 nan 8.300 nan 0.000 0.539 122 A N 0.127 123.024 122.820 0.129 0.000 1.972 122 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 122 A C 2.090 179.647 177.584 -0.045 0.000 1.169 122 A CA 1.881 53.954 52.037 0.060 0.000 0.635 122 A CB -0.600 18.424 19.000 0.041 0.000 0.810 122 A HN 0.456 nan 8.150 nan 0.000 0.446 123 E N -0.894 119.212 120.200 -0.157 0.000 2.140 123 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 123 E C 1.832 178.275 176.600 -0.262 0.000 0.973 123 E CA 0.531 56.790 56.400 -0.236 0.000 0.829 123 E CB -0.093 29.399 29.700 -0.346 0.000 0.781 123 E HN 0.399 nan 8.360 nan 0.000 0.466 124 E N 0.720 120.735 120.200 -0.309 0.000 2.204 124 E HA -0.097 4.253 4.350 -0.000 0.000 0.195 124 E C 2.143 178.721 176.600 -0.038 0.000 0.990 124 E CA 0.884 57.164 56.400 -0.201 0.000 0.821 124 E CB -0.339 29.327 29.700 -0.057 0.000 0.750 124 E HN 0.350 nan 8.360 nan 0.000 0.477 125 G N 1.031 109.832 108.800 0.002 0.000 2.470 125 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 125 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 125 G C 1.390 176.273 174.900 -0.029 0.000 1.121 125 G CA 0.381 45.486 45.100 0.008 0.000 0.766 125 G HN 0.225 nan 8.290 nan 0.000 0.553 126 K N -0.340 120.025 120.400 -0.058 0.000 2.404 126 K HA 0.196 4.516 4.320 -0.000 0.000 0.194 126 K C 1.432 177.993 176.600 -0.065 0.000 1.023 126 K CA -0.034 56.214 56.287 -0.065 0.000 1.094 126 K CB 0.454 32.908 32.500 -0.076 0.000 0.841 126 K HN 0.156 nan 8.250 nan 0.000 0.523 127 R N 0.370 120.832 120.500 -0.063 0.000 2.549 127 R HA 0.138 4.478 4.340 -0.000 0.000 0.344 127 R C -0.364 175.913 176.300 -0.038 0.000 0.979 127 R CA -0.140 55.921 56.100 -0.065 0.000 1.140 127 R CB 1.147 31.386 30.300 -0.102 0.000 1.377 127 R HN -0.137 nan 8.270 nan 0.000 0.541 128 V N 2.384 122.291 119.914 -0.011 0.000 2.400 128 V HA 0.151 4.271 4.120 -0.000 0.000 0.263 128 V C 0.472 176.568 176.094 0.003 0.000 1.026 128 V CA -0.028 62.281 62.300 0.015 0.000 1.077 128 V CB 0.152 31.997 31.823 0.036 0.000 1.054 128 V HN 0.204 nan 8.190 nan 0.000 0.477 129 A N 4.584 127.401 122.820 -0.004 0.000 2.324 129 A HA 0.886 5.206 4.320 -0.000 0.000 0.330 129 A C 0.596 178.182 177.584 0.003 0.000 1.165 129 A CA 0.091 52.121 52.037 -0.011 0.000 0.813 129 A CB 1.396 20.377 19.000 -0.031 0.000 1.197 129 A HN 0.808 nan 8.150 nan 0.000 0.484 130 G N -0.163 108.640 108.800 0.006 0.000 2.641 130 G HA2 0.590 4.550 3.960 -0.000 0.000 0.239 130 G HA3 0.590 4.550 3.960 -0.000 0.000 0.239 130 G C -0.985 173.922 174.900 0.012 0.000 1.402 130 G CA -0.363 44.747 45.100 0.017 0.000 1.046 130 G HN 0.655 nan 8.290 nan 0.000 0.565 131 D N -0.442 119.971 120.400 0.022 0.000 2.857 131 D HA 0.435 5.075 4.640 -0.000 0.000 0.227 131 D C -0.803 175.512 176.300 0.025 0.000 1.192 131 D CA -0.157 53.854 54.000 0.018 0.000 0.857 131 D CB 2.068 42.879 40.800 0.019 0.000 1.645 131 D HN 0.486 nan 8.370 nan 0.000 0.482 132 T N -0.231 114.333 114.554 0.017 0.000 2.791 132 T HA 0.672 5.022 4.350 -0.000 0.000 0.288 132 T C -0.218 174.492 174.700 0.016 0.000 0.999 132 T CA -0.655 61.458 62.100 0.021 0.000 0.952 132 T CB 0.452 69.329 68.868 0.015 0.000 0.938 132 T HN 0.178 nan 8.240 nan 0.000 0.444 133 L N 4.393 125.629 121.223 0.021 0.000 2.330 133 L HA 0.634 4.974 4.340 -0.000 0.000 0.271 133 L C -2.075 174.802 176.870 0.012 0.000 1.013 133 L CA -2.636 52.210 54.840 0.009 0.000 0.816 133 L CB 1.891 43.950 42.059 -0.001 0.000 1.287 133 L HN 0.493 nan 8.230 nan 0.000 0.435 134 P HA 0.086 nan 4.420 nan 0.000 0.281 134 P C -0.398 176.906 177.300 0.008 0.000 1.252 134 P CA -0.282 62.822 63.100 0.007 0.000 0.778 134 P CB 1.015 32.716 31.700 0.002 0.000 0.895 135 T N 3.702 118.265 114.554 0.015 0.000 2.919 135 T HA 0.227 4.577 4.350 -0.000 0.000 0.302 135 T C -0.999 173.709 174.700 0.012 0.000 1.031 135 T CA -1.243 60.869 62.100 0.020 0.000 1.127 135 T CB -0.122 68.764 68.868 0.030 0.000 0.952 135 T HN 0.350 nan 8.240 nan 0.000 0.540 136 P HA 0.247 nan 4.420 nan 0.000 0.255 136 P C -0.312 176.995 177.300 0.013 0.000 1.248 136 P CA 0.249 63.353 63.100 0.008 0.000 0.807 136 P CB 0.430 32.131 31.700 0.002 0.000 1.150 137 D N -0.151 120.260 120.400 0.020 0.000 2.549 137 D HA 0.370 5.010 4.640 -0.000 0.000 0.251 137 D C 0.879 177.190 176.300 0.018 0.000 1.153 137 D CA -0.445 53.567 54.000 0.020 0.000 0.861 137 D CB 2.361 43.178 40.800 0.028 0.000 1.207 137 D HN -0.173 nan 8.370 nan 0.000 0.543 138 A N 4.178 127.006 122.820 0.013 0.000 1.948 138 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 138 A C 1.499 179.090 177.584 0.011 0.000 1.177 138 A CA 1.317 53.360 52.037 0.011 0.000 0.636 138 A CB -0.163 18.842 19.000 0.007 0.000 0.815 138 A HN 0.606 nan 8.150 nan 0.000 0.449 139 N N -0.138 118.569 118.700 0.012 0.000 2.467 139 N HA 0.042 4.782 4.740 -0.000 0.000 0.184 139 N C -0.008 175.510 175.510 0.013 0.000 1.106 139 N CA 0.606 53.662 53.050 0.010 0.000 0.892 139 N CB 0.168 38.660 38.487 0.008 0.000 0.969 139 N HN 0.566 nan 8.380 nan 0.000 0.454 140 K N 0.400 120.812 120.400 0.021 0.000 2.267 140 K HA 0.460 4.780 4.320 -0.000 0.000 0.246 140 K C -0.161 176.460 176.600 0.033 0.000 0.954 140 K CA -0.760 55.544 56.287 0.027 0.000 0.824 140 K CB 2.040 34.566 32.500 0.043 0.000 1.167 140 K HN -0.244 nan 8.250 nan 0.000 0.431 141 R N 1.499 122.020 120.500 0.035 0.000 2.740 141 R HA 0.519 4.859 4.340 -0.000 0.000 0.282 141 R C -0.556 175.788 176.300 0.073 0.000 0.969 141 R CA -0.682 55.443 56.100 0.042 0.000 0.918 141 R CB 1.243 31.558 30.300 0.024 0.000 1.175 141 R HN 0.614 nan 8.270 nan 0.000 0.464 142 I N 2.557 123.182 120.570 0.091 0.000 2.355 142 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 142 I C -0.478 175.709 176.117 0.116 0.000 0.999 142 I CA -0.924 60.471 61.300 0.157 0.000 1.163 142 I CB 1.844 39.930 38.000 0.144 0.000 1.316 142 I HN 0.043 nan 8.210 nan 0.000 0.454 143 V N 7.198 127.193 119.914 0.134 0.000 2.577 143 V HA 0.425 4.545 4.120 -0.000 0.000 0.303 143 V C -0.207 175.963 176.094 0.127 0.000 1.042 143 V CA -0.667 61.687 62.300 0.089 0.000 0.872 143 V CB 2.576 34.425 31.823 0.043 0.000 0.998 143 V HN 0.386 nan 8.190 nan 0.000 0.423 144 V N 5.505 125.481 119.914 0.103 0.000 2.459 144 V HA 0.727 4.847 4.120 -0.000 0.000 0.295 144 V C -0.113 176.020 176.094 0.065 0.000 1.029 144 V CA -0.546 61.819 62.300 0.109 0.000 0.874 144 V CB 1.878 33.757 31.823 0.094 0.000 0.985 144 V HN 0.775 nan 8.190 nan 0.000 0.438 145 V N 2.297 122.247 119.914 0.061 0.000 3.074 145 V HA 0.774 4.894 4.120 -0.000 0.000 0.314 145 V C -0.762 175.362 176.094 0.050 0.000 1.117 145 V CA -1.085 61.240 62.300 0.042 0.000 1.014 145 V CB 2.250 34.088 31.823 0.025 0.000 1.057 145 V HN 0.795 nan 8.190 nan 0.000 0.438 146 K N 1.557 121.984 120.400 0.045 0.000 2.378 146 K HA 0.657 4.977 4.320 -0.000 0.000 0.252 146 K C -1.005 175.632 176.600 0.061 0.000 0.931 146 K CA -0.531 55.792 56.287 0.060 0.000 0.794 146 K CB 2.202 34.740 32.500 0.063 0.000 1.181 146 K HN 1.020 nan 8.250 nan 0.000 0.425 147 E N 2.280 122.531 120.200 0.085 0.000 2.393 147 E HA 0.435 4.785 4.350 -0.000 0.000 0.273 147 E C -2.877 173.828 176.600 0.175 0.000 0.918 147 E CA -2.569 53.893 56.400 0.104 0.000 0.773 147 E CB 1.971 31.716 29.700 0.075 0.000 1.275 147 E HN 0.141 nan 8.360 nan 0.000 0.451 148 P HA -0.019 nan 4.420 nan 0.000 0.263 148 P C 0.706 178.254 177.300 0.412 0.000 1.195 148 P CA 0.191 63.507 63.100 0.360 0.000 0.762 148 P CB 0.783 32.815 31.700 0.554 0.000 0.799 149 I N 2.386 123.083 120.570 0.213 0.000 2.194 149 I HA -0.165 4.005 4.170 -0.000 0.000 0.246 149 I C 1.110 177.191 176.117 -0.059 0.000 1.093 149 I CA 2.460 63.820 61.300 0.100 0.000 1.355 149 I CB -0.348 37.661 38.000 0.015 0.000 1.046 149 I HN 0.712 nan 8.210 nan 0.000 0.413 150 G N -1.133 107.411 108.800 -0.425 0.000 2.292 150 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.194 150 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.194 150 G C -1.087 173.229 174.900 -0.975 0.000 1.329 150 G CA -0.216 44.093 45.100 -1.318 0.000 1.100 150 G HN -0.006 nan 8.290 nan 0.000 0.470 151 V N 0.953 120.445 119.914 -0.703 0.000 2.470 151 V HA 0.390 4.510 4.120 -0.000 0.000 0.276 151 V C 0.656 176.611 176.094 -0.232 0.000 1.040 151 V CA -0.223 61.834 62.300 -0.405 0.000 1.008 151 V CB 0.100 31.757 31.823 -0.276 0.000 0.990 151 V HN 0.809 nan 8.190 nan 0.000 0.477 152 C N 4.386 123.594 119.300 -0.154 0.000 2.358 152 C HA 0.938 5.398 4.460 -0.000 0.000 0.354 152 C C 0.616 175.584 174.990 -0.037 0.000 1.183 152 C CA -0.560 58.427 59.018 -0.053 0.000 2.150 152 C CB 1.034 28.818 27.740 0.072 0.000 2.361 152 C HN 1.004 nan 8.230 nan 0.000 0.535 153 A N 0.762 123.580 122.820 -0.004 0.000 2.475 153 A HA 0.947 5.267 4.320 -0.000 0.000 0.301 153 A C -1.031 176.584 177.584 0.051 0.000 1.059 153 A CA -0.282 51.760 52.037 0.009 0.000 0.710 153 A CB 1.256 20.253 19.000 -0.006 0.000 1.288 153 A HN 1.626 nan 8.150 nan 0.000 0.408 154 A N 1.413 124.271 122.820 0.062 0.000 2.459 154 A HA 0.712 5.032 4.320 -0.000 0.000 0.296 154 A C -1.161 176.483 177.584 0.101 0.000 1.039 154 A CA -0.269 51.822 52.037 0.091 0.000 0.698 154 A CB 0.764 19.816 19.000 0.087 0.000 1.261 154 A HN 0.761 nan 8.150 nan 0.000 0.405 155 I N 2.679 123.341 120.570 0.153 0.000 2.362 155 I HA 0.442 4.612 4.170 -0.000 0.000 0.289 155 I C 0.323 176.516 176.117 0.127 0.000 0.994 155 I CA -0.321 61.093 61.300 0.190 0.000 1.158 155 I CB 2.157 40.365 38.000 0.347 0.000 1.315 155 I HN 0.732 nan 8.210 nan 0.000 0.451 156 T N 4.236 118.841 114.554 0.085 0.000 2.829 156 T HA 0.636 4.986 4.350 -0.000 0.000 0.280 156 T C -2.543 172.174 174.700 0.030 0.000 0.999 156 T CA -2.017 60.094 62.100 0.019 0.000 0.983 156 T CB 2.130 71.014 68.868 0.027 0.000 0.968 156 T HN 0.212 nan 8.240 nan 0.000 0.446 157 P HA 0.282 nan 4.420 nan 0.000 0.312 157 P C 0.736 178.030 177.300 -0.010 0.000 1.308 157 P CA -0.710 62.333 63.100 -0.096 0.000 0.743 157 P CB 0.730 32.248 31.700 -0.304 0.000 1.364 158 W N -1.527 119.808 121.300 0.058 0.000 3.107 158 W HA 0.165 4.825 4.660 -0.000 0.000 0.293 158 W C 0.574 177.090 176.519 -0.004 0.000 1.239 158 W CA -0.032 57.337 57.345 0.039 0.000 1.653 158 W CB -1.845 27.640 29.460 0.042 0.000 1.068 158 W HN 0.106 nan 8.180 nan 0.000 0.615 159 N N 1.687 120.237 118.700 -0.250 0.000 2.061 159 N HA -0.168 4.572 4.740 -0.000 0.000 0.193 159 N C -0.312 175.135 175.510 -0.104 0.000 1.030 159 N CA 1.599 54.524 53.050 -0.208 0.000 0.856 159 N CB -0.575 37.718 38.487 -0.322 0.000 1.023 159 N HN 0.046 nan 8.380 nan 0.000 0.424 160 F N -1.318 118.604 119.950 -0.047 0.000 2.794 160 F HA 0.330 4.857 4.527 -0.000 0.000 0.353 160 F C -1.990 173.820 175.800 0.017 0.000 1.371 160 F CA -1.760 56.240 58.000 0.000 0.000 1.173 160 F CB 2.152 41.144 39.000 -0.014 0.000 1.693 160 F HN -0.103 nan 8.300 nan 0.000 0.606 161 P HA -0.143 nan 4.420 nan 0.000 0.223 161 P C 1.117 178.493 177.300 0.126 0.000 1.144 161 P CA 1.217 64.402 63.100 0.141 0.000 0.783 161 P CB 0.401 32.187 31.700 0.144 0.000 0.771 162 A N -0.756 122.145 122.820 0.135 0.000 1.984 162 A HA 0.396 4.716 4.320 -0.000 0.000 0.203 162 A C 2.180 179.798 177.584 0.055 0.000 1.292 162 A CA 0.848 52.946 52.037 0.102 0.000 0.782 162 A CB -1.104 17.957 19.000 0.102 0.000 0.924 162 A HN 0.112 nan 8.150 nan 0.000 0.475 163 A N -0.121 122.750 122.820 0.085 0.000 1.877 163 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 163 A C 2.130 179.586 177.584 -0.213 0.000 1.186 163 A CA 1.970 53.962 52.037 -0.075 0.000 0.620 163 A CB -0.584 18.412 19.000 -0.007 0.000 0.822 163 A HN 0.373 nan 8.150 nan 0.000 0.443 164 M N -0.876 118.653 119.600 -0.120 0.000 2.144 164 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 164 M C 2.061 178.301 176.300 -0.100 0.000 1.067 164 M CA 1.408 56.619 55.300 -0.149 0.000 1.095 164 M CB -1.335 31.226 32.600 -0.066 0.000 1.365 164 M HN 0.361 nan 8.290 nan 0.000 0.406 165 I N 0.378 120.934 120.570 -0.023 0.000 2.202 165 I HA -0.170 4.000 4.170 -0.000 0.000 0.242 165 I C 2.612 178.756 176.117 0.046 0.000 1.091 165 I CA 1.472 62.799 61.300 0.046 0.000 1.368 165 I CB -0.796 37.272 38.000 0.113 0.000 1.058 165 I HN 0.217 nan 8.210 nan 0.000 0.410 166 A N 0.014 122.811 122.820 -0.039 0.000 1.933 166 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 166 A C 2.389 179.926 177.584 -0.077 0.000 1.175 166 A CA 1.411 53.408 52.037 -0.066 0.000 0.628 166 A CB -0.594 18.314 19.000 -0.153 0.000 0.814 166 A HN 0.319 nan 8.150 nan 0.000 0.444 167 R N -0.813 119.484 120.500 -0.338 0.000 2.328 167 R HA -0.025 4.315 4.340 -0.000 0.000 0.207 167 R C 1.410 177.621 176.300 -0.147 0.000 1.056 167 R CA 1.258 57.063 56.100 -0.491 0.000 1.016 167 R CB -0.005 29.787 30.300 -0.846 0.000 0.872 167 R HN 0.529 nan 8.270 nan 0.000 0.471 168 K N -1.374 118.977 120.400 -0.082 0.000 2.424 168 K HA 0.110 4.430 4.320 -0.000 0.000 0.200 168 K C 1.622 178.170 176.600 -0.085 0.000 1.279 168 K CA 0.155 56.409 56.287 -0.055 0.000 0.918 168 K CB 0.518 33.029 32.500 0.018 0.000 1.287 168 K HN -0.108 nan 8.250 nan 0.000 0.502 169 V N 1.743 121.680 119.914 0.037 0.000 2.759 169 V HA -0.120 4.000 4.120 -0.000 0.000 0.256 169 V C 2.183 178.352 176.094 0.125 0.000 1.080 169 V CA 2.104 64.458 62.300 0.090 0.000 1.101 169 V CB -0.844 31.122 31.823 0.238 0.000 0.698 169 V HN 0.452 nan 8.190 nan 0.000 0.477 170 G N 1.647 110.549 108.800 0.170 0.000 2.552 170 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 170 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 170 G C 0.114 174.948 174.900 -0.110 0.000 1.240 170 G CA 1.269 46.519 45.100 0.250 0.000 0.796 170 G HN 0.551 nan 8.290 nan 0.000 0.568 171 P HA -0.031 nan 4.420 nan 0.000 0.218 171 P C 1.985 178.792 177.300 -0.822 0.000 1.149 171 P CA 2.026 64.438 63.100 -1.145 0.000 0.817 171 P CB -0.151 30.613 31.700 -1.560 0.000 0.785 172 A N -0.178 122.132 122.820 -0.849 0.000 1.873 172 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 172 A C 2.254 179.816 177.584 -0.037 0.000 1.186 172 A CA 1.450 53.231 52.037 -0.426 0.000 0.616 172 A CB -1.588 17.278 19.000 -0.223 0.000 0.823 172 A HN 0.091 nan 8.150 nan 0.000 0.442 173 L N -0.467 120.776 121.223 0.032 0.000 2.093 173 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 173 L C 2.913 180.070 176.870 0.478 0.000 1.085 173 L CA 1.720 56.752 54.840 0.320 0.000 0.755 173 L CB -0.656 41.528 42.059 0.209 0.000 0.904 173 L HN 0.382 nan 8.230 nan 0.000 0.435 174 A N -0.934 122.017 122.820 0.220 0.000 2.015 174 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 174 A C 2.318 179.957 177.584 0.090 0.000 1.163 174 A CA 1.431 53.558 52.037 0.150 0.000 0.646 174 A CB -0.677 18.398 19.000 0.125 0.000 0.806 174 A HN 0.362 nan 8.150 nan 0.000 0.448 175 A N -1.806 121.076 122.820 0.103 0.000 2.169 175 A HA 0.418 4.738 4.320 -0.000 0.000 0.212 175 A C 1.664 179.352 177.584 0.173 0.000 1.153 175 A CA 1.158 53.266 52.037 0.119 0.000 0.756 175 A CB -0.717 18.368 19.000 0.141 0.000 0.813 175 A HN 1.861 nan 8.150 nan 0.000 0.471 176 G N -1.855 107.099 108.800 0.257 0.000 2.165 176 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.226 176 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.226 176 G C -0.098 175.212 174.900 0.683 0.000 1.035 176 G CA -0.094 45.211 45.100 0.341 0.000 0.744 176 G HN 0.610 nan 8.290 nan 0.000 0.501 177 C N 1.759 121.363 119.300 0.506 0.000 2.351 177 C HA 0.759 5.219 4.460 -0.000 0.000 0.326 177 C C -1.442 173.579 174.990 0.052 0.000 1.272 177 C CA -1.486 57.660 59.018 0.214 0.000 1.650 177 C CB 1.808 29.608 27.740 0.100 0.000 2.257 177 C HN 0.460 nan 8.230 nan 0.000 0.505 178 P HA 0.558 nan 4.420 nan 0.000 0.279 178 P C -0.957 176.235 177.300 -0.180 0.000 1.252 178 P CA -0.204 62.767 63.100 -0.215 0.000 0.811 178 P CB 1.307 32.899 31.700 -0.181 0.000 1.035 179 I N 0.524 120.988 120.570 -0.176 0.000 2.769 179 I HA 0.362 4.532 4.170 -0.000 0.000 0.298 179 I C -1.392 174.662 176.117 -0.105 0.000 1.128 179 I CA -1.183 60.050 61.300 -0.110 0.000 1.031 179 I CB 2.329 40.289 38.000 -0.067 0.000 1.235 179 I HN -0.041 nan 8.210 nan 0.000 0.423 180 V N 7.168 127.041 119.914 -0.069 0.000 2.409 180 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 180 V C -0.427 175.658 176.094 -0.015 0.000 1.020 180 V CA -0.621 61.645 62.300 -0.057 0.000 0.848 180 V CB 1.572 33.358 31.823 -0.061 0.000 0.990 180 V HN 0.419 nan 8.190 nan 0.000 0.430 181 V N 3.845 123.759 119.914 -0.000 0.000 2.472 181 V HA 0.716 4.836 4.120 -0.000 0.000 0.290 181 V C 0.420 176.541 176.094 0.045 0.000 1.037 181 V CA -0.715 61.605 62.300 0.034 0.000 0.908 181 V CB 1.380 33.233 31.823 0.050 0.000 0.985 181 V HN 0.908 nan 8.190 nan 0.000 0.454 182 K N 5.750 126.187 120.400 0.063 0.000 2.484 182 K HA 0.617 4.937 4.320 -0.000 0.000 0.226 182 K C -2.620 174.039 176.600 0.098 0.000 1.031 182 K CA -1.718 54.615 56.287 0.076 0.000 1.026 182 K CB 0.547 33.090 32.500 0.071 0.000 1.412 182 K HN 0.605 nan 8.250 nan 0.000 0.492 183 P HA 0.259 nan 4.420 nan 0.000 0.273 183 P C 0.020 177.404 177.300 0.140 0.000 1.250 183 P CA -0.261 62.908 63.100 0.115 0.000 0.793 183 P CB 0.893 32.657 31.700 0.108 0.000 1.011 184 A N 0.609 123.529 122.820 0.168 0.000 2.520 184 A HA 0.348 4.668 4.320 -0.000 0.000 0.245 184 A C 1.800 179.506 177.584 0.203 0.000 1.072 184 A CA 0.485 52.648 52.037 0.210 0.000 0.761 184 A CB -0.921 18.267 19.000 0.313 0.000 1.004 184 A HN 0.640 nan 8.150 nan 0.000 0.499 185 E N 2.207 122.506 120.200 0.165 0.000 2.114 185 E HA -0.267 4.082 4.350 -0.000 0.000 0.199 185 E C 2.332 179.082 176.600 0.250 0.000 1.008 185 E CA 2.303 58.811 56.400 0.180 0.000 0.810 185 E CB -0.950 28.658 29.700 -0.154 0.000 0.739 185 E HN 1.279 nan 8.360 nan 0.000 0.456 186 S N 0.222 116.030 115.700 0.179 0.000 2.374 186 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 186 S C 1.549 176.253 174.600 0.173 0.000 1.037 186 S CA 2.172 60.454 58.200 0.136 0.000 1.024 186 S CB -0.413 62.789 63.200 0.003 0.000 0.861 186 S HN 0.941 nan 8.310 nan 0.000 0.456 187 T N -1.139 113.542 114.554 0.212 0.000 3.504 187 T HA 0.497 4.847 4.350 -0.000 0.000 0.286 187 T C -2.139 172.673 174.700 0.187 0.000 1.530 187 T CA -1.151 61.078 62.100 0.215 0.000 1.652 187 T CB 1.640 70.637 68.868 0.217 0.000 0.895 187 T HN 0.225 nan 8.240 nan 0.000 0.674 188 P HA 0.156 nan 4.420 nan 0.000 0.235 188 P C 0.917 178.165 177.300 -0.087 0.000 1.177 188 P CA 0.022 63.109 63.100 -0.021 0.000 0.785 188 P CB -0.052 31.546 31.700 -0.171 0.000 0.885 189 F N 0.696 120.662 119.950 0.027 0.000 2.163 189 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 189 F C 2.688 178.504 175.800 0.027 0.000 1.094 189 F CA 1.292 59.285 58.000 -0.012 0.000 1.290 189 F CB -1.100 37.864 39.000 -0.060 0.000 1.017 189 F HN -0.119 nan 8.300 nan 0.000 0.483 190 S N 0.179 116.013 115.700 0.223 0.000 2.359 190 S HA -0.269 4.201 4.470 -0.000 0.000 0.223 190 S C 2.392 177.086 174.600 0.157 0.000 1.039 190 S CA 1.316 59.615 58.200 0.164 0.000 1.042 190 S CB -0.844 62.439 63.200 0.138 0.000 0.915 190 S HN 0.376 nan 8.310 nan 0.000 0.439 191 A N 1.327 124.232 122.820 0.142 0.000 1.873 191 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 191 A C 2.156 179.839 177.584 0.165 0.000 1.193 191 A CA 1.489 53.612 52.037 0.145 0.000 0.629 191 A CB -0.926 18.144 19.000 0.117 0.000 0.826 191 A HN 0.471 nan 8.150 nan 0.000 0.447 192 L N -1.056 120.249 121.223 0.138 0.000 2.131 192 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 192 L C 3.056 180.091 176.870 0.274 0.000 1.092 192 L CA 0.965 55.919 54.840 0.189 0.000 0.759 192 L CB -0.453 41.666 42.059 0.100 0.000 0.903 192 L HN 0.506 nan 8.230 nan 0.000 0.435 193 A N -0.465 122.491 122.820 0.227 0.000 1.872 193 A HA -0.209 4.111 4.320 -0.000 0.000 0.214 193 A C 2.238 180.024 177.584 0.337 0.000 1.187 193 A CA 1.405 53.599 52.037 0.261 0.000 0.614 193 A CB -0.407 18.709 19.000 0.193 0.000 0.826 193 A HN 0.314 nan 8.150 nan 0.000 0.442 194 M N -0.456 119.329 119.600 0.308 0.000 2.279 194 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 194 M C 2.394 178.987 176.300 0.488 0.000 1.062 194 M CA 1.089 56.650 55.300 0.435 0.000 1.099 194 M CB -0.305 32.533 32.600 0.395 0.000 1.394 194 M HN 0.525 nan 8.290 nan 0.000 0.426 195 A N 0.008 122.993 122.820 0.275 0.000 1.877 195 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 195 A C 1.903 179.460 177.584 -0.044 0.000 1.186 195 A CA 1.329 53.379 52.037 0.021 0.000 0.620 195 A CB -0.973 17.973 19.000 -0.090 0.000 0.822 195 A HN 0.536 nan 8.150 nan 0.000 0.443 196 F N 0.365 120.363 119.950 0.079 0.000 2.333 196 F HA -0.051 4.476 4.527 -0.000 0.000 0.300 196 F C 1.666 177.531 175.800 0.108 0.000 1.083 196 F CA 1.146 59.250 58.000 0.174 0.000 1.395 196 F CB -0.144 38.974 39.000 0.197 0.000 1.056 196 F HN 0.129 nan 8.300 nan 0.000 0.529 197 L N -0.744 120.543 121.223 0.108 0.000 2.162 197 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 197 L C 2.761 179.655 176.870 0.039 0.000 1.086 197 L CA 0.865 55.769 54.840 0.106 0.000 0.778 197 L CB -1.071 41.209 42.059 0.370 0.000 0.928 197 L HN 0.133 nan 8.230 nan 0.000 0.446 198 A N 0.056 122.771 122.820 -0.176 0.000 1.877 198 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 198 A C 2.259 179.630 177.584 -0.355 0.000 1.186 198 A CA 1.917 53.521 52.037 -0.721 0.000 0.620 198 A CB -0.582 17.767 19.000 -1.086 0.000 0.822 198 A HN 0.464 nan 8.150 nan 0.000 0.443 199 E N -0.298 119.752 120.200 -0.251 0.000 2.070 199 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 199 E C 2.283 178.810 176.600 -0.122 0.000 1.004 199 E CA 1.537 57.858 56.400 -0.133 0.000 0.805 199 E CB -0.208 29.435 29.700 -0.095 0.000 0.744 199 E HN 0.586 nan 8.360 nan 0.000 0.451 200 R N -0.130 120.250 120.500 -0.199 0.000 2.120 200 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 200 R C 2.230 178.486 176.300 -0.072 0.000 1.123 200 R CA 1.122 57.117 56.100 -0.176 0.000 0.975 200 R CB -0.221 29.898 30.300 -0.302 0.000 0.866 200 R HN 0.232 nan 8.270 nan 0.000 0.446 201 A N -0.556 122.234 122.820 -0.050 0.000 1.877 201 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 201 A C 1.661 179.255 177.584 0.016 0.000 1.186 201 A CA 1.736 53.786 52.037 0.021 0.000 0.620 201 A CB -0.370 18.661 19.000 0.052 0.000 0.822 201 A HN 0.572 nan 8.150 nan 0.000 0.443 202 G N -2.966 105.821 108.800 -0.022 0.000 2.559 202 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.202 202 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.202 202 G C 0.003 174.912 174.900 0.015 0.000 0.992 202 G CA -0.129 44.979 45.100 0.014 0.000 0.764 202 G HN 0.767 nan 8.290 nan 0.000 0.525 203 V N 3.562 123.432 119.914 -0.073 0.000 2.452 203 V HA 0.241 4.361 4.120 -0.000 0.000 0.286 203 V C -0.813 175.205 176.094 -0.127 0.000 0.995 203 V CA -0.618 61.584 62.300 -0.163 0.000 1.116 203 V CB 0.161 31.761 31.823 -0.372 0.000 0.954 203 V HN 0.314 nan 8.190 nan 0.000 0.473 204 P HA 0.186 nan 4.420 nan 0.000 0.269 204 P C -0.038 177.197 177.300 -0.108 0.000 1.217 204 P CA -0.183 62.894 63.100 -0.038 0.000 0.783 204 P CB 0.395 32.119 31.700 0.040 0.000 0.898 205 K N 0.717 121.068 120.400 -0.081 0.000 2.447 205 K HA 0.391 4.711 4.320 -0.000 0.000 0.281 205 K C 1.334 177.835 176.600 -0.166 0.000 1.031 205 K CA 0.257 56.459 56.287 -0.142 0.000 1.019 205 K CB -1.114 31.322 32.500 -0.106 0.000 0.918 205 K HN 0.892 nan 8.250 nan 0.000 0.476 206 G N 0.171 108.822 108.800 -0.247 0.000 2.313 206 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.215 206 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.215 206 G C 1.383 176.144 174.900 -0.232 0.000 1.023 206 G CA 0.453 45.426 45.100 -0.211 0.000 0.626 206 G HN 1.095 nan 8.290 nan 0.000 0.503 207 V N 0.545 120.287 119.914 -0.286 0.000 2.809 207 V HA 0.344 4.464 4.120 -0.000 0.000 0.256 207 V C 0.912 176.771 176.094 -0.392 0.000 1.080 207 V CA 1.933 63.984 62.300 -0.415 0.000 1.102 207 V CB 0.104 31.476 31.823 -0.751 0.000 0.705 207 V HN 0.608 nan 8.190 nan 0.000 0.475 208 L N -0.786 120.241 121.223 -0.327 0.000 2.436 208 L HA 0.687 5.027 4.340 -0.000 0.000 0.268 208 L C -0.702 176.020 176.870 -0.248 0.000 0.974 208 L CA 0.167 54.860 54.840 -0.245 0.000 0.826 208 L CB 2.246 44.177 42.059 -0.212 0.000 1.291 208 L HN -0.077 nan 8.230 nan 0.000 0.406 209 S N 2.906 118.499 115.700 -0.179 0.000 2.541 209 S HA 0.809 5.279 4.470 -0.000 0.000 0.280 209 S C -1.340 173.225 174.600 -0.057 0.000 1.112 209 S CA -0.559 57.532 58.200 -0.183 0.000 0.925 209 S CB 2.212 65.289 63.200 -0.206 0.000 1.067 209 S HN 0.401 nan 8.310 nan 0.000 0.479 210 V N 3.350 123.254 119.914 -0.016 0.000 2.349 210 V HA 0.402 4.522 4.120 -0.000 0.000 0.284 210 V C -0.372 175.734 176.094 0.020 0.000 1.014 210 V CA -0.745 61.574 62.300 0.031 0.000 0.826 210 V CB 1.265 33.134 31.823 0.077 0.000 1.009 210 V HN 0.738 nan 8.190 nan 0.000 0.431 211 V N 4.286 124.212 119.914 0.020 0.000 2.370 211 V HA 0.720 4.840 4.120 -0.000 0.000 0.279 211 V C -0.400 175.731 176.094 0.062 0.000 1.029 211 V CA -0.433 61.885 62.300 0.029 0.000 0.870 211 V CB 0.928 32.759 31.823 0.013 0.000 0.984 211 V HN 0.622 nan 8.190 nan 0.000 0.451 212 I N 4.902 125.522 120.570 0.083 0.000 2.474 212 I HA 1.004 5.174 4.170 -0.000 0.000 0.294 212 I C 0.787 177.023 176.117 0.199 0.000 1.005 212 I CA 0.042 61.426 61.300 0.140 0.000 1.113 212 I CB 1.696 39.768 38.000 0.120 0.000 1.289 212 I HN 1.011 nan 8.210 nan 0.000 0.436 213 G N 3.853 112.804 108.800 0.252 0.000 2.591 213 G HA2 0.001 3.961 3.960 -0.000 0.000 0.104 213 G HA3 0.001 3.961 3.960 -0.000 0.000 0.104 213 G C -1.717 173.206 174.900 0.037 0.000 1.097 213 G CA -0.691 44.551 45.100 0.238 0.000 1.076 213 G HN 0.547 nan 8.290 nan 0.000 0.485 214 D N 2.171 122.582 120.400 0.018 0.000 2.339 214 D HA 0.451 5.090 4.640 -0.000 0.000 0.256 214 D C -0.442 175.845 176.300 -0.022 0.000 1.214 214 D CA -1.597 52.383 54.000 -0.034 0.000 0.877 214 D CB 1.692 42.486 40.800 -0.010 0.000 1.111 214 D HN 0.019 nan 8.370 nan 0.000 0.478 215 P HA -0.220 nan 4.420 nan 0.000 0.215 215 P C 1.217 178.512 177.300 -0.009 0.000 1.153 215 P CA 1.826 64.921 63.100 -0.009 0.000 0.853 215 P CB 0.062 31.758 31.700 -0.007 0.000 0.788 216 K N 0.430 120.820 120.400 -0.016 0.000 2.026 216 K HA 0.049 4.369 4.320 -0.000 0.000 0.208 216 K C 2.246 178.837 176.600 -0.014 0.000 1.048 216 K CA 1.845 58.122 56.287 -0.017 0.000 0.929 216 K CB -1.671 30.819 32.500 -0.016 0.000 0.713 216 K HN 0.265 nan 8.250 nan 0.000 0.439 217 A N -0.489 122.326 122.820 -0.009 0.000 2.275 217 A HA 0.418 4.738 4.320 -0.000 0.000 0.212 217 A C 2.016 179.600 177.584 -0.001 0.000 1.201 217 A CA 0.364 52.398 52.037 -0.005 0.000 0.843 217 A CB -0.242 18.758 19.000 0.000 0.000 0.873 217 A HN 0.463 nan 8.150 nan 0.000 0.492 218 I N -1.281 119.290 120.570 0.001 0.000 2.681 218 I HA 0.017 4.186 4.170 -0.000 0.000 0.247 218 I C 2.594 178.710 176.117 -0.003 0.000 1.091 218 I CA 0.965 62.269 61.300 0.006 0.000 1.442 218 I CB -0.461 37.552 38.000 0.021 0.000 1.219 218 I HN 0.345 nan 8.210 nan 0.000 0.451 219 G N 0.190 108.986 108.800 -0.007 0.000 2.470 219 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 219 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 219 G C 1.548 176.427 174.900 -0.034 0.000 1.121 219 G CA 1.288 46.375 45.100 -0.022 0.000 0.766 219 G HN 0.274 nan 8.290 nan 0.000 0.553 220 T N 0.164 114.701 114.554 -0.028 0.000 2.937 220 T HA 0.011 4.361 4.350 -0.000 0.000 0.260 220 T C 2.164 176.850 174.700 -0.024 0.000 1.051 220 T CA 1.257 63.340 62.100 -0.029 0.000 1.141 220 T CB 0.059 68.912 68.868 -0.024 0.000 0.879 220 T HN 0.330 nan 8.240 nan 0.000 0.459 221 E N 1.214 121.403 120.200 -0.019 0.000 2.152 221 E HA 0.047 4.397 4.350 -0.000 0.000 0.192 221 E C 1.909 178.496 176.600 -0.022 0.000 0.983 221 E CA 0.736 57.125 56.400 -0.018 0.000 0.818 221 E CB -0.474 29.217 29.700 -0.014 0.000 0.758 221 E HN 0.482 nan 8.360 nan 0.000 0.467 222 I N 0.399 120.956 120.570 -0.022 0.000 2.179 222 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 222 I C 2.242 178.341 176.117 -0.030 0.000 1.088 222 I CA 1.799 63.084 61.300 -0.025 0.000 1.357 222 I CB -0.432 37.558 38.000 -0.017 0.000 1.051 222 I HN 0.272 nan 8.210 nan 0.000 0.409 223 T N -2.461 112.073 114.554 -0.033 0.000 2.985 223 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 223 T C 1.893 176.574 174.700 -0.032 0.000 1.076 223 T CA 1.017 63.095 62.100 -0.037 0.000 1.135 223 T CB -0.388 68.452 68.868 -0.047 0.000 0.890 223 T HN 0.429 nan 8.240 nan 0.000 0.480 224 S N 1.260 116.943 115.700 -0.028 0.000 2.406 224 S HA 0.063 4.533 4.470 -0.000 0.000 0.224 224 S C 1.100 175.686 174.600 -0.023 0.000 1.030 224 S CA -0.181 58.005 58.200 -0.024 0.000 0.958 224 S CB -0.764 62.424 63.200 -0.020 0.000 0.811 224 S HN 0.402 nan 8.310 nan 0.000 0.489 225 N N 3.989 122.674 118.700 -0.025 0.000 2.427 225 N HA 0.193 4.933 4.740 -0.000 0.000 0.269 225 N C -1.747 173.746 175.510 -0.029 0.000 1.235 225 N CA -1.683 51.352 53.050 -0.026 0.000 0.934 225 N CB 1.355 39.824 38.487 -0.029 0.000 1.121 225 N HN 0.215 nan 8.380 nan 0.000 0.480 226 P HA -0.075 nan 4.420 nan 0.000 0.230 226 P C 1.426 178.709 177.300 -0.027 0.000 1.158 226 P CA 0.774 63.861 63.100 -0.021 0.000 0.769 226 P CB 0.404 32.097 31.700 -0.012 0.000 0.807 227 I N -0.518 120.032 120.570 -0.032 0.000 2.315 227 I HA -0.119 4.051 4.170 -0.000 0.000 0.248 227 I C 0.911 176.977 176.117 -0.084 0.000 1.117 227 I CA 0.678 61.950 61.300 -0.046 0.000 1.404 227 I CB -0.523 37.453 38.000 -0.040 0.000 1.071 227 I HN -0.271 nan 8.210 nan 0.000 0.419 228 V N 3.207 123.075 119.914 -0.076 0.000 2.416 228 V HA -0.046 4.074 4.120 -0.000 0.000 0.267 228 V C 1.366 177.410 176.094 -0.084 0.000 1.007 228 V CA 0.695 62.943 62.300 -0.087 0.000 1.102 228 V CB -0.225 31.560 31.823 -0.063 0.000 1.035 228 V HN 0.325 nan 8.190 nan 0.000 0.473 229 R N 3.098 123.531 120.500 -0.113 0.000 2.254 229 R HA 0.130 4.470 4.340 -0.000 0.000 0.195 229 R C 0.613 176.862 176.300 -0.086 0.000 0.957 229 R CA 0.274 56.318 56.100 -0.093 0.000 1.024 229 R CB 0.349 30.584 30.300 -0.109 0.000 0.952 229 R HN 0.737 nan 8.270 nan 0.000 0.484 230 K N 0.127 120.468 120.400 -0.097 0.000 2.502 230 K HA 0.390 4.710 4.320 -0.000 0.000 0.257 230 K C -1.783 174.772 176.600 -0.075 0.000 0.938 230 K CA -0.927 55.301 56.287 -0.098 0.000 0.819 230 K CB 1.881 34.292 32.500 -0.147 0.000 1.333 230 K HN -0.131 nan 8.250 nan 0.000 0.434 231 L N 1.303 122.488 121.223 -0.063 0.000 2.408 231 L HA 0.613 4.953 4.340 -0.000 0.000 0.268 231 L C -1.478 175.394 176.870 0.003 0.000 0.986 231 L CA -0.026 54.804 54.840 -0.017 0.000 0.820 231 L CB 2.382 44.438 42.059 -0.006 0.000 1.303 231 L HN 0.789 nan 8.230 nan 0.000 0.411 232 S N 4.628 120.362 115.700 0.057 0.000 2.707 232 S HA 0.634 5.104 4.470 -0.000 0.000 0.312 232 S C -1.373 173.325 174.600 0.164 0.000 1.116 232 S CA -0.409 57.844 58.200 0.088 0.000 1.078 232 S CB 0.180 63.443 63.200 0.105 0.000 0.997 232 S HN 0.495 nan 8.310 nan 0.000 0.477 233 F N 4.249 124.208 119.950 0.015 0.000 2.507 233 F HA 0.691 5.218 4.527 -0.000 0.000 0.325 233 F C -0.490 175.328 175.800 0.029 0.000 1.116 233 F CA -0.243 57.770 58.000 0.021 0.000 0.930 233 F CB 1.859 40.868 39.000 0.014 0.000 1.146 233 F HN 0.386 nan 8.300 nan 0.000 0.447 234 T N 4.857 118.927 114.554 -0.807 0.000 2.792 234 T HA 0.824 5.174 4.350 -0.000 0.000 0.280 234 T C 0.015 173.954 174.700 -1.268 0.000 0.990 234 T CA -0.216 61.371 62.100 -0.855 0.000 0.960 234 T CB 1.186 69.844 68.868 -0.351 0.000 0.939 234 T HN 1.128 nan 8.240 nan 0.000 0.439 235 G N 1.848 109.998 108.800 -1.083 0.000 2.452 235 G HA2 0.443 4.403 3.960 -0.000 0.000 0.224 235 G HA3 0.443 4.403 3.960 -0.000 0.000 0.224 235 G C -0.635 174.232 174.900 -0.055 0.000 1.208 235 G CA -0.279 44.544 45.100 -0.461 0.000 0.946 235 G HN 0.946 nan 8.290 nan 0.000 0.481 236 S N -0.537 115.301 115.700 0.230 0.000 2.617 236 S HA 0.505 4.975 4.470 -0.000 0.000 0.269 236 S C 1.297 176.051 174.600 0.256 0.000 1.292 236 S CA 0.961 59.258 58.200 0.162 0.000 1.010 236 S CB 1.413 64.681 63.200 0.114 0.000 0.944 236 S HN 0.787 nan 8.310 nan 0.000 0.536 237 T N 2.109 116.770 114.554 0.177 0.000 2.708 237 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 237 T C 2.208 177.004 174.700 0.160 0.000 1.037 237 T CA 1.562 63.792 62.100 0.217 0.000 1.146 237 T CB -0.924 68.143 68.868 0.331 0.000 0.865 237 T HN 0.844 nan 8.240 nan 0.000 0.435 238 A N 0.968 123.864 122.820 0.127 0.000 1.908 238 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 238 A C 2.586 180.190 177.584 0.033 0.000 1.181 238 A CA 1.520 53.601 52.037 0.073 0.000 0.627 238 A CB -1.025 18.013 19.000 0.065 0.000 0.818 238 A HN 0.364 nan 8.150 nan 0.000 0.445 239 V N -0.221 119.720 119.914 0.044 0.000 2.283 239 V HA -0.131 3.989 4.120 -0.000 0.000 0.243 239 V C 2.879 178.820 176.094 -0.254 0.000 1.039 239 V CA 1.838 64.088 62.300 -0.084 0.000 1.016 239 V CB -1.584 30.216 31.823 -0.038 0.000 0.650 239 V HN 0.599 nan 8.190 nan 0.000 0.449 240 G N -0.040 108.682 108.800 -0.131 0.000 2.505 240 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 240 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 240 G C 1.733 176.591 174.900 -0.071 0.000 1.145 240 G CA 1.096 46.141 45.100 -0.091 0.000 0.761 240 G HN 0.442 nan 8.290 nan 0.000 0.571 241 R N -0.629 119.861 120.500 -0.018 0.000 2.105 241 R HA 0.090 4.430 4.340 -0.000 0.000 0.239 241 R C 2.541 178.809 176.300 -0.054 0.000 1.135 241 R CA 0.926 57.014 56.100 -0.021 0.000 0.967 241 R CB -0.356 29.944 30.300 0.001 0.000 0.861 241 R HN 0.371 nan 8.270 nan 0.000 0.442 242 L N 0.402 121.574 121.223 -0.085 0.000 2.270 242 L HA -0.031 4.309 4.340 -0.000 0.000 0.210 242 L C 1.882 178.683 176.870 -0.116 0.000 1.104 242 L CA 0.563 55.350 54.840 -0.088 0.000 0.804 242 L CB 0.128 42.136 42.059 -0.085 0.000 0.937 242 L HN 0.194 nan 8.230 nan 0.000 0.450 243 L N -1.141 119.975 121.223 -0.178 0.000 2.156 243 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 243 L C 2.453 179.258 176.870 -0.108 0.000 1.095 243 L CA 1.013 55.741 54.840 -0.186 0.000 0.770 243 L CB -0.262 41.595 42.059 -0.337 0.000 0.914 243 L HN 0.347 nan 8.230 nan 0.000 0.439 244 M N -0.459 119.093 119.600 -0.080 0.000 2.374 244 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 244 M C 2.082 178.357 176.300 -0.042 0.000 1.067 244 M CA 1.539 56.812 55.300 -0.046 0.000 1.103 244 M CB 0.049 32.633 32.600 -0.027 0.000 1.402 244 M HN 0.248 nan 8.290 nan 0.000 0.444 245 A N -0.466 122.326 122.820 -0.047 0.000 2.021 245 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 245 A C 1.860 179.420 177.584 -0.040 0.000 1.163 245 A CA 0.788 52.801 52.037 -0.039 0.000 0.676 245 A CB -0.327 18.651 19.000 -0.037 0.000 0.818 245 A HN 0.624 nan 8.150 nan 0.000 0.453 246 Q N -0.391 119.379 119.800 -0.051 0.000 2.389 246 Q HA 0.019 4.359 4.340 -0.000 0.000 0.204 246 Q C 1.701 177.675 176.000 -0.043 0.000 0.944 246 Q CA 1.154 56.929 55.803 -0.047 0.000 0.908 246 Q CB 0.119 28.822 28.738 -0.058 0.000 1.002 246 Q HN 0.592 nan 8.270 nan 0.000 0.493 247 S N 0.302 115.976 115.700 -0.044 0.000 2.501 247 S HA 0.079 4.549 4.470 -0.000 0.000 0.220 247 S C 1.885 176.467 174.600 -0.030 0.000 0.997 247 S CA 0.455 58.632 58.200 -0.038 0.000 0.919 247 S CB 0.214 63.390 63.200 -0.039 0.000 0.778 247 S HN 0.411 nan 8.310 nan 0.000 0.523 248 A N 2.797 125.599 122.820 -0.029 0.000 1.908 248 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 248 A C -0.148 177.424 177.584 -0.020 0.000 1.181 248 A CA 1.352 53.375 52.037 -0.023 0.000 0.627 248 A CB -1.875 17.112 19.000 -0.022 0.000 0.818 248 A HN 0.344 nan 8.150 nan 0.000 0.445 249 P HA -0.141 nan 4.420 nan 0.000 0.218 249 P C 1.158 178.449 177.300 -0.015 0.000 1.146 249 P CA 2.066 65.156 63.100 -0.017 0.000 0.820 249 P CB -0.159 31.531 31.700 -0.018 0.000 0.778 250 T N -6.345 108.198 114.554 -0.018 0.000 3.084 250 T HA 0.217 4.567 4.350 -0.000 0.000 0.270 250 T C 0.334 175.024 174.700 -0.018 0.000 1.008 250 T CA -0.350 61.740 62.100 -0.017 0.000 0.900 250 T CB -0.725 68.131 68.868 -0.020 0.000 1.084 250 T HN -0.171 nan 8.240 nan 0.000 0.538 251 V N 1.563 121.467 119.914 -0.018 0.000 5.957 251 V HA -0.221 3.899 4.120 -0.000 0.000 0.225 251 V C 0.212 176.294 176.094 -0.021 0.000 0.661 251 V CA 0.748 63.038 62.300 -0.017 0.000 0.571 251 V CB -2.025 29.791 31.823 -0.011 0.000 0.361 251 V HN 0.662 nan 8.190 nan 0.000 0.495 252 K N 1.096 121.479 120.400 -0.028 0.000 2.144 252 K HA 0.523 4.843 4.320 -0.000 0.000 0.270 252 K C 0.220 176.796 176.600 -0.040 0.000 1.005 252 K CA -1.044 55.221 56.287 -0.036 0.000 0.932 252 K CB 1.099 33.575 32.500 -0.040 0.000 1.021 252 K HN 0.268 nan 8.250 nan 0.000 0.462 253 K N 2.259 122.628 120.400 -0.053 0.000 2.350 253 K HA 0.154 4.473 4.320 -0.000 0.000 0.279 253 K C -1.142 175.411 176.600 -0.078 0.000 1.027 253 K CA -0.125 56.123 56.287 -0.065 0.000 0.969 253 K CB 0.283 32.734 32.500 -0.082 0.000 0.954 253 K HN 0.254 nan 8.250 nan 0.000 0.474 254 L N 3.699 124.883 121.223 -0.065 0.000 2.376 254 L HA 0.402 4.742 4.340 -0.000 0.000 0.275 254 L C -0.723 176.121 176.870 -0.044 0.000 0.987 254 L CA -0.071 54.743 54.840 -0.043 0.000 0.828 254 L CB 1.897 43.947 42.059 -0.015 0.000 1.249 254 L HN 0.670 nan 8.230 nan 0.000 0.409 255 T N 5.100 119.629 114.554 -0.043 0.000 2.767 255 T HA 0.698 5.048 4.350 -0.000 0.000 0.284 255 T C -0.247 174.488 174.700 0.059 0.000 0.973 255 T CA -0.293 61.802 62.100 -0.008 0.000 0.996 255 T CB 0.674 69.523 68.868 -0.031 0.000 0.927 255 T HN 0.260 nan 8.240 nan 0.000 0.456 256 L N 3.516 124.781 121.223 0.069 0.000 2.372 256 L HA 0.430 4.770 4.340 -0.000 0.000 0.273 256 L C -0.067 176.841 176.870 0.063 0.000 0.989 256 L CA -0.844 54.065 54.840 0.114 0.000 0.841 256 L CB 1.575 43.724 42.059 0.150 0.000 1.225 256 L HN 0.459 nan 8.230 nan 0.000 0.414 257 E N 5.701 125.903 120.200 0.004 0.000 2.035 257 E HA 0.476 4.826 4.350 -0.000 0.000 0.271 257 E C -0.476 176.084 176.600 -0.066 0.000 0.953 257 E CA -0.180 56.218 56.400 -0.003 0.000 0.777 257 E CB 1.855 31.575 29.700 0.034 0.000 1.104 257 E HN 0.488 nan 8.360 nan 0.000 0.408 258 L N 0.100 121.334 121.223 0.018 0.000 2.585 258 L HA 0.613 4.953 4.340 -0.000 0.000 0.260 258 L C 1.105 177.993 176.870 0.030 0.000 1.085 258 L CA -1.393 53.477 54.840 0.051 0.000 0.913 258 L CB 0.424 42.568 42.059 0.142 0.000 1.638 258 L HN 0.385 nan 8.230 nan 0.000 0.531 259 G N -1.120 107.686 108.800 0.010 0.000 2.467 259 G HA2 0.471 4.431 3.960 -0.000 0.000 0.257 259 G HA3 0.471 4.431 3.960 -0.000 0.000 0.257 259 G C -0.134 174.661 174.900 -0.175 0.000 1.227 259 G CA 0.224 45.231 45.100 -0.156 0.000 0.835 259 G HN 0.723 nan 8.290 nan 0.000 0.556 260 G N -0.367 108.324 108.800 -0.183 0.000 2.940 260 G HA2 0.461 4.421 3.960 -0.000 0.000 0.164 260 G HA3 0.461 4.421 3.960 -0.000 0.000 0.164 260 G C -0.249 174.528 174.900 -0.205 0.000 1.326 260 G CA -0.446 44.609 45.100 -0.074 0.000 1.020 260 G HN 0.833 nan 8.290 nan 0.000 0.586 261 N N -1.280 117.451 118.700 0.052 0.000 3.286 261 N HA 0.233 4.973 4.740 -0.000 0.000 0.169 261 N C -0.448 175.146 175.510 0.139 0.000 1.375 261 N CA -0.026 53.077 53.050 0.088 0.000 1.093 261 N CB 0.152 38.757 38.487 0.197 0.000 1.659 261 N HN 0.668 nan 8.380 nan 0.000 0.629 262 A N 2.486 125.357 122.820 0.084 0.000 2.473 262 A HA 0.385 4.705 4.320 -0.000 0.000 0.282 262 A C -2.127 175.459 177.584 0.004 0.000 1.163 262 A CA -0.627 51.421 52.037 0.017 0.000 0.827 262 A CB -0.282 18.790 19.000 0.120 0.000 1.098 262 A HN 0.358 nan 8.150 nan 0.000 0.515 263 P HA 0.224 nan 4.420 nan 0.000 0.279 263 P C -0.923 176.406 177.300 0.047 0.000 1.239 263 P CA 0.008 63.110 63.100 0.002 0.000 0.789 263 P CB 0.632 32.231 31.700 -0.169 0.000 0.933 264 F N 4.113 124.041 119.950 -0.037 0.000 2.375 264 F HA 0.471 4.998 4.527 -0.000 0.000 0.361 264 F C -0.321 175.530 175.800 0.085 0.000 1.117 264 F CA -0.879 57.094 58.000 -0.045 0.000 1.037 264 F CB 0.549 39.274 39.000 -0.458 0.000 1.192 264 F HN 0.120 nan 8.300 nan 0.000 0.452 265 I N 6.899 127.403 120.570 -0.111 0.000 2.321 265 I HA 0.354 4.524 4.170 -0.000 0.000 0.291 265 I C -0.891 175.210 176.117 -0.027 0.000 0.998 265 I CA -0.851 60.404 61.300 -0.074 0.000 1.227 265 I CB 1.482 39.311 38.000 -0.285 0.000 1.368 265 I HN 0.202 nan 8.210 nan 0.000 0.466 266 V N 6.953 126.921 119.914 0.090 0.000 2.417 266 V HA 0.424 4.544 4.120 -0.000 0.000 0.291 266 V C -0.309 175.856 176.094 0.119 0.000 1.024 266 V CA -0.528 61.821 62.300 0.082 0.000 0.861 266 V CB 1.463 33.197 31.823 -0.149 0.000 0.985 266 V HN 0.380 nan 8.190 nan 0.000 0.436 267 F N 1.402 121.482 119.950 0.216 0.000 2.509 267 F HA 0.385 4.912 4.527 -0.000 0.000 0.334 267 F C 1.591 177.449 175.800 0.097 0.000 1.060 267 F CA -0.502 57.628 58.000 0.216 0.000 0.997 267 F CB 1.074 40.150 39.000 0.127 0.000 1.271 267 F HN 0.545 nan 8.300 nan 0.000 0.488 268 D N 0.408 120.973 120.400 0.276 0.000 2.149 268 D HA -0.184 4.456 4.640 -0.000 0.000 0.198 268 D C 1.194 177.565 176.300 0.118 0.000 0.990 268 D CA 1.813 55.866 54.000 0.088 0.000 0.839 268 D CB 0.020 40.768 40.800 -0.088 0.000 0.948 268 D HN 0.625 nan 8.370 nan 0.000 0.460 269 D N -0.133 120.345 120.400 0.130 0.000 2.349 269 D HA 0.105 4.745 4.640 -0.000 0.000 0.214 269 D C 0.692 177.067 176.300 0.124 0.000 1.063 269 D CA -0.143 53.916 54.000 0.099 0.000 0.847 269 D CB -0.429 40.404 40.800 0.055 0.000 0.933 269 D HN 0.082 nan 8.370 nan 0.000 0.513 270 A N 1.011 123.936 122.820 0.174 0.000 2.547 270 A HA 0.037 4.357 4.320 -0.000 0.000 0.233 270 A C 0.232 177.913 177.584 0.162 0.000 1.067 270 A CA 0.092 52.249 52.037 0.201 0.000 0.763 270 A CB 0.070 19.212 19.000 0.236 0.000 1.007 270 A HN 0.111 nan 8.150 nan 0.000 0.506 271 D N 1.773 122.284 120.400 0.184 0.000 2.325 271 D HA 0.195 4.835 4.640 -0.000 0.000 0.251 271 D C 1.046 177.425 176.300 0.131 0.000 1.196 271 D CA -0.447 53.642 54.000 0.149 0.000 0.866 271 D CB 0.473 41.365 40.800 0.154 0.000 1.101 271 D HN 0.235 nan 8.370 nan 0.000 0.476 272 L N 3.431 124.723 121.223 0.115 0.000 2.056 272 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 272 L C 1.632 178.577 176.870 0.125 0.000 1.078 272 L CA 1.272 56.191 54.840 0.131 0.000 0.749 272 L CB -0.844 41.310 42.059 0.158 0.000 0.901 272 L HN 0.503 nan 8.230 nan 0.000 0.433 273 D N 0.031 120.489 120.400 0.097 0.000 2.178 273 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 273 D C 2.173 178.518 176.300 0.076 0.000 0.980 273 D CA 1.345 55.392 54.000 0.078 0.000 0.842 273 D CB 0.337 41.177 40.800 0.066 0.000 0.948 273 D HN 0.282 nan 8.370 nan 0.000 0.472 274 A N 1.224 124.099 122.820 0.091 0.000 1.872 274 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 274 A C 2.362 179.899 177.584 -0.078 0.000 1.187 274 A CA 1.742 53.855 52.037 0.126 0.000 0.614 274 A CB -0.630 18.545 19.000 0.293 0.000 0.826 274 A HN 0.207 nan 8.150 nan 0.000 0.442 275 A N -0.305 122.310 122.820 -0.342 0.000 1.892 275 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 275 A C 2.247 179.813 177.584 -0.031 0.000 1.188 275 A CA 2.072 53.721 52.037 -0.647 0.000 0.631 275 A CB -1.058 17.719 19.000 -0.371 0.000 0.822 275 A HN 0.409 nan 8.150 nan 0.000 0.447 276 V N -0.060 119.948 119.914 0.157 0.000 2.261 276 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 276 V C 3.106 179.228 176.094 0.047 0.000 1.047 276 V CA 2.741 65.117 62.300 0.127 0.000 1.015 276 V CB -1.580 30.257 31.823 0.022 0.000 0.642 276 V HN 0.788 nan 8.190 nan 0.000 0.446 277 E N 0.626 120.856 120.200 0.050 0.000 2.114 277 E HA -0.268 4.082 4.350 -0.000 0.000 0.199 277 E C 2.318 178.976 176.600 0.095 0.000 1.008 277 E CA 2.013 58.453 56.400 0.066 0.000 0.810 277 E CB -1.585 28.164 29.700 0.081 0.000 0.739 277 E HN 0.682 nan 8.360 nan 0.000 0.456 278 G N 0.423 109.306 108.800 0.139 0.000 2.459 278 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.217 278 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.217 278 G C 2.088 177.053 174.900 0.108 0.000 1.183 278 G CA 2.275 47.529 45.100 0.257 0.000 0.776 278 G HN 1.046 nan 8.290 nan 0.000 0.552 279 A N 0.764 123.525 122.820 -0.098 0.000 1.940 279 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 279 A C 2.356 179.915 177.584 -0.040 0.000 1.176 279 A CA 1.494 53.333 52.037 -0.330 0.000 0.631 279 A CB -0.282 18.632 19.000 -0.143 0.000 0.814 279 A HN 0.296 nan 8.150 nan 0.000 0.446 280 I N 0.001 120.610 120.570 0.064 0.000 2.179 280 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 280 I C 2.936 179.132 176.117 0.132 0.000 1.088 280 I CA 1.526 62.935 61.300 0.181 0.000 1.357 280 I CB -1.708 36.353 38.000 0.103 0.000 1.051 280 I HN 0.363 nan 8.210 nan 0.000 0.409 281 A N 0.866 123.727 122.820 0.069 0.000 1.898 281 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 281 A C 2.551 180.133 177.584 -0.004 0.000 1.181 281 A CA 2.305 54.373 52.037 0.051 0.000 0.620 281 A CB -0.799 18.239 19.000 0.064 0.000 0.819 281 A HN 0.552 nan 8.150 nan 0.000 0.442 282 S N -1.059 114.585 115.700 -0.093 0.000 2.406 282 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 282 S C 1.806 176.292 174.600 -0.191 0.000 1.020 282 S CA 1.622 59.676 58.200 -0.243 0.000 0.965 282 S CB -0.066 62.809 63.200 -0.543 0.000 0.798 282 S HN 0.390 nan 8.310 nan 0.000 0.488 283 K N -0.240 120.040 120.400 -0.201 0.000 2.287 283 K HA 0.332 4.652 4.320 -0.000 0.000 0.199 283 K C 0.852 177.222 176.600 -0.383 0.000 1.061 283 K CA 0.536 56.630 56.287 -0.322 0.000 0.976 283 K CB -0.260 31.995 32.500 -0.408 0.000 0.898 283 K HN 0.463 nan 8.250 nan 0.000 0.492 284 Y N 0.350 120.662 120.300 0.019 0.000 2.449 284 Y HA 0.318 4.868 4.550 -0.000 0.000 0.254 284 Y C 0.167 176.071 175.900 0.007 0.000 1.140 284 Y CA -0.513 57.596 58.100 0.015 0.000 1.272 284 Y CB 0.114 38.577 38.460 0.006 0.000 1.114 284 Y HN -0.135 nan 8.280 nan 0.000 0.525 285 R N 2.398 122.964 120.500 0.110 0.000 2.537 285 R HA -0.159 4.181 4.340 -0.000 0.000 0.281 285 R C 0.160 176.487 176.300 0.045 0.000 0.988 285 R CA 0.643 56.788 56.100 0.076 0.000 1.077 285 R CB -0.754 29.593 30.300 0.078 0.000 0.932 285 R HN 0.466 nan 8.270 nan 0.000 0.409 286 N N 3.658 122.360 118.700 0.004 0.000 2.700 286 N HA -0.359 4.381 4.740 -0.000 0.000 0.265 286 N C -0.772 174.725 175.510 -0.021 0.000 0.975 286 N CA 0.790 53.804 53.050 -0.060 0.000 0.800 286 N CB -0.628 37.745 38.487 -0.191 0.000 0.908 286 N HN 0.866 nan 8.380 nan 0.000 0.551 287 N N 0.005 118.729 118.700 0.039 0.000 2.710 287 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 287 N C 0.765 176.302 175.510 0.045 0.000 1.059 287 N CA 2.058 55.154 53.050 0.076 0.000 0.720 287 N CB -1.475 37.033 38.487 0.035 0.000 0.983 287 N HN 0.978 nan 8.380 nan 0.000 0.544 288 G N -0.746 108.058 108.800 0.006 0.000 2.198 288 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.260 288 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.260 288 G C 0.093 174.933 174.900 -0.101 0.000 1.025 288 G CA 0.607 45.677 45.100 -0.049 0.000 0.769 288 G HN 0.633 nan 8.290 nan 0.000 0.507 289 Q N 0.345 120.053 119.800 -0.154 0.000 2.354 289 Q HA 0.339 4.679 4.340 -0.000 0.000 0.372 289 Q C 0.522 176.289 176.000 -0.387 0.000 0.923 289 Q CA 0.430 56.014 55.803 -0.365 0.000 1.123 289 Q CB 0.801 29.480 28.738 -0.099 0.000 1.298 289 Q HN 0.613 nan 8.270 nan 0.000 0.419 290 T N -4.304 110.097 114.554 -0.254 0.000 2.908 290 T HA 0.214 4.564 4.350 -0.000 0.000 0.290 290 T C 1.278 175.941 174.700 -0.062 0.000 1.034 290 T CA -0.765 61.303 62.100 -0.054 0.000 1.010 290 T CB 1.366 70.346 68.868 0.188 0.000 1.068 290 T HN 0.334 nan 8.240 nan 0.000 0.481 291 C N 1.833 121.156 119.300 0.038 0.000 2.403 291 C HA -0.049 4.411 4.460 -0.000 0.000 0.277 291 C C 2.553 177.646 174.990 0.171 0.000 1.248 291 C CA 0.808 59.916 59.018 0.151 0.000 1.762 291 C CB -1.735 26.114 27.740 0.182 0.000 2.014 291 C HN 0.884 nan 8.230 nan 0.000 0.486 292 V N -2.774 117.248 119.914 0.180 0.000 3.542 292 V HA 0.285 4.405 4.120 -0.000 0.000 0.296 292 V C 0.762 176.999 176.094 0.239 0.000 1.364 292 V CA -0.562 61.847 62.300 0.182 0.000 1.118 292 V CB -1.740 30.209 31.823 0.209 0.000 0.972 292 V HN 0.550 nan 8.190 nan 0.000 0.430 293 C N 2.412 121.811 119.300 0.165 0.000 2.642 293 C HA 0.287 4.747 4.460 -0.000 0.000 0.420 293 C C 1.520 176.582 174.990 0.119 0.000 1.349 293 C CA 0.519 59.603 59.018 0.110 0.000 1.821 293 C CB -0.325 27.435 27.740 0.033 0.000 2.637 293 C HN 0.663 nan 8.230 nan 0.000 0.605 294 T N 4.070 118.651 114.554 0.046 0.000 2.939 294 T HA -0.077 4.273 4.350 -0.000 0.000 0.312 294 T C 0.979 175.677 174.700 -0.004 0.000 1.064 294 T CA 0.874 62.955 62.100 -0.032 0.000 1.136 294 T CB 0.175 68.807 68.868 -0.394 0.000 1.035 294 T HN 0.861 nan 8.240 nan 0.000 0.538 295 N N 1.263 119.982 118.700 0.032 0.000 2.503 295 N HA 0.130 4.870 4.740 -0.000 0.000 0.210 295 N C -0.167 175.426 175.510 0.139 0.000 1.077 295 N CA 0.071 53.182 53.050 0.101 0.000 0.855 295 N CB 0.672 39.225 38.487 0.110 0.000 1.323 295 N HN 0.409 nan 8.380 nan 0.000 0.452 296 R N 0.037 120.567 120.500 0.049 0.000 2.480 296 R HA 0.321 4.661 4.340 -0.000 0.000 0.306 296 R C -1.373 174.907 176.300 -0.033 0.000 0.958 296 R CA -0.619 55.455 56.100 -0.044 0.000 0.861 296 R CB 1.378 31.431 30.300 -0.412 0.000 1.171 296 R HN -0.016 nan 8.270 nan 0.000 0.445 297 F N 2.570 122.579 119.950 0.099 0.000 2.394 297 F HA 0.386 4.913 4.527 -0.000 0.000 0.340 297 F C -0.098 175.735 175.800 0.055 0.000 1.105 297 F CA -0.134 57.989 58.000 0.206 0.000 1.124 297 F CB 0.820 39.960 39.000 0.233 0.000 1.145 297 F HN 0.328 nan 8.300 nan 0.000 0.505 298 F N 2.810 123.008 119.950 0.413 0.000 2.477 298 F HA 0.639 5.166 4.527 -0.000 0.000 0.335 298 F C -0.780 175.301 175.800 0.468 0.000 1.130 298 F CA -0.978 57.259 58.000 0.396 0.000 0.948 298 F CB 1.690 40.756 39.000 0.110 0.000 1.154 298 F HN -0.011 nan 8.300 nan 0.000 0.439 299 V N 2.505 122.813 119.914 0.656 0.000 2.709 299 V HA 0.272 4.392 4.120 -0.000 0.000 0.308 299 V C -0.172 175.956 176.094 0.056 0.000 1.062 299 V CA -0.983 61.550 62.300 0.389 0.000 0.901 299 V CB 1.699 33.684 31.823 0.270 0.000 1.003 299 V HN 0.700 nan 8.190 nan 0.000 0.425 300 H N 2.731 121.541 119.070 -0.433 0.000 2.897 300 H HA 0.034 4.590 4.556 -0.000 0.000 0.347 300 H C 1.012 176.192 175.328 -0.245 0.000 1.068 300 H CA 0.491 56.046 56.048 -0.822 0.000 1.426 300 H CB 1.455 30.916 29.762 -0.500 0.000 1.410 300 H HN 0.957 nan 8.280 nan 0.000 0.597 301 E N 3.786 123.637 120.200 -0.581 0.000 2.265 301 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 301 E C 1.545 178.088 176.600 -0.094 0.000 0.996 301 E CA 0.824 57.061 56.400 -0.273 0.000 0.832 301 E CB 0.032 29.528 29.700 -0.340 0.000 0.756 301 E HN 0.462 nan 8.360 nan 0.000 0.491 302 R N 0.768 121.235 120.500 -0.054 0.000 2.285 302 R HA 0.006 4.346 4.340 -0.000 0.000 0.213 302 R C 1.416 177.801 176.300 0.142 0.000 1.068 302 R CA 1.270 57.441 56.100 0.119 0.000 1.004 302 R CB 0.185 30.648 30.300 0.271 0.000 0.873 302 R HN 0.444 nan 8.270 nan 0.000 0.467 303 V N -5.218 114.789 119.914 0.156 0.000 3.392 303 V HA 0.117 4.237 4.120 -0.000 0.000 0.294 303 V C 1.423 177.637 176.094 0.201 0.000 1.561 303 V CA -0.562 61.836 62.300 0.163 0.000 1.056 303 V CB -0.694 31.220 31.823 0.151 0.000 0.882 303 V HN -0.025 nan 8.190 nan 0.000 0.440 304 Y N 2.255 122.599 120.300 0.074 0.000 2.193 304 Y HA -0.204 4.346 4.550 -0.000 0.000 0.285 304 Y C 2.169 178.131 175.900 0.103 0.000 1.166 304 Y CA 2.556 60.715 58.100 0.098 0.000 1.181 304 Y CB 0.078 38.552 38.460 0.024 0.000 0.976 304 Y HN 0.338 nan 8.280 nan 0.000 0.520 305 D N -0.397 120.123 120.400 0.199 0.000 2.084 305 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 305 D C 2.309 178.632 176.300 0.038 0.000 0.981 305 D CA 1.392 55.453 54.000 0.101 0.000 0.841 305 D CB -0.555 40.306 40.800 0.103 0.000 0.997 305 D HN 0.422 nan 8.370 nan 0.000 0.454 306 A N 0.886 123.752 122.820 0.076 0.000 1.948 306 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 306 A C 2.060 179.687 177.584 0.072 0.000 1.177 306 A CA 1.284 53.362 52.037 0.067 0.000 0.636 306 A CB -0.945 18.110 19.000 0.092 0.000 0.815 306 A HN 0.253 nan 8.150 nan 0.000 0.449 307 F N 0.793 120.709 119.950 -0.057 0.000 2.060 307 F HA 0.047 4.574 4.527 -0.000 0.000 0.295 307 F C 2.572 178.276 175.800 -0.160 0.000 1.120 307 F CA 1.090 59.036 58.000 -0.089 0.000 1.205 307 F CB -0.793 38.166 39.000 -0.069 0.000 0.986 307 F HN 0.243 nan 8.300 nan 0.000 0.470 308 A N 0.216 122.819 122.820 -0.362 0.000 1.958 308 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 308 A C 2.025 179.389 177.584 -0.366 0.000 1.178 308 A CA 2.241 53.990 52.037 -0.480 0.000 0.642 308 A CB -1.167 17.590 19.000 -0.405 0.000 0.816 308 A HN 0.506 nan 8.150 nan 0.000 0.453 309 D N -0.398 119.862 120.400 -0.233 0.000 2.078 309 D HA -0.126 4.514 4.640 -0.000 0.000 0.193 309 D C 1.940 178.119 176.300 -0.201 0.000 0.990 309 D CA 1.560 55.459 54.000 -0.168 0.000 0.827 309 D CB -0.328 40.416 40.800 -0.092 0.000 0.975 309 D HN 0.495 nan 8.370 nan 0.000 0.451 310 K N -0.042 120.229 120.400 -0.215 0.000 2.209 310 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 310 K C 1.895 178.321 176.600 -0.289 0.000 1.048 310 K CA 0.167 56.336 56.287 -0.197 0.000 0.940 310 K CB -0.053 32.377 32.500 -0.116 0.000 0.729 310 K HN 0.009 nan 8.250 nan 0.000 0.451 311 L N 1.140 122.066 121.223 -0.495 0.000 1.937 311 L HA -0.123 4.217 4.340 -0.000 0.000 0.213 311 L C 2.201 178.884 176.870 -0.312 0.000 1.077 311 L CA 2.086 56.618 54.840 -0.512 0.000 0.758 311 L CB -1.127 40.452 42.059 -0.799 0.000 0.888 311 L HN 0.134 nan 8.230 nan 0.000 0.433 312 A N -0.451 122.197 122.820 -0.286 0.000 1.997 312 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 312 A C 2.413 179.899 177.584 -0.164 0.000 1.172 312 A CA 2.417 54.333 52.037 -0.201 0.000 0.645 312 A CB -1.362 17.536 19.000 -0.169 0.000 0.813 312 A HN 0.697 nan 8.150 nan 0.000 0.454 313 A N -0.306 122.420 122.820 -0.156 0.000 1.873 313 A HA 0.049 4.369 4.320 -0.000 0.000 0.218 313 A C 2.518 180.033 177.584 -0.116 0.000 1.193 313 A CA 2.584 54.550 52.037 -0.119 0.000 0.629 313 A CB -1.069 17.868 19.000 -0.104 0.000 0.826 313 A HN 1.223 nan 8.150 nan 0.000 0.447 314 A N -1.065 121.677 122.820 -0.130 0.000 1.970 314 A HA 0.173 4.493 4.320 -0.000 0.000 0.216 314 A C 2.153 179.642 177.584 -0.157 0.000 1.170 314 A CA 1.329 53.295 52.037 -0.119 0.000 0.645 314 A CB -0.676 18.264 19.000 -0.100 0.000 0.816 314 A HN 0.376 nan 8.150 nan 0.000 0.447 315 V N 1.145 120.939 119.914 -0.200 0.000 2.407 315 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 315 V C 2.742 178.688 176.094 -0.246 0.000 1.055 315 V CA 2.297 64.419 62.300 -0.295 0.000 1.049 315 V CB -0.752 30.902 31.823 -0.281 0.000 0.662 315 V HN 0.764 nan 8.190 nan 0.000 0.455 316 S N -0.179 115.421 115.700 -0.166 0.000 2.562 316 S HA 0.035 4.505 4.470 -0.000 0.000 0.221 316 S C 1.915 176.452 174.600 -0.105 0.000 0.975 316 S CA 0.794 58.920 58.200 -0.123 0.000 0.918 316 S CB -0.186 62.956 63.200 -0.095 0.000 0.772 316 S HN 0.621 nan 8.310 nan 0.000 0.531 317 K N 1.438 121.772 120.400 -0.110 0.000 2.366 317 K HA 0.382 4.702 4.320 -0.000 0.000 0.198 317 K C 0.783 177.330 176.600 -0.089 0.000 1.044 317 K CA 0.655 56.891 56.287 -0.086 0.000 0.973 317 K CB -0.965 31.489 32.500 -0.076 0.000 0.767 317 K HN 0.622 nan 8.250 nan 0.000 0.475 318 L N 1.411 122.560 121.223 -0.123 0.000 2.397 318 L HA 0.260 4.600 4.340 -0.000 0.000 0.271 318 L C 0.216 177.026 176.870 -0.100 0.000 1.148 318 L CA -0.648 54.120 54.840 -0.120 0.000 0.825 318 L CB 1.302 43.249 42.059 -0.187 0.000 1.117 318 L HN 0.137 nan 8.230 nan 0.000 0.456 319 K N 2.417 122.772 120.400 -0.076 0.000 2.265 319 K HA 0.472 4.792 4.320 -0.000 0.000 0.267 319 K C -0.591 175.962 176.600 -0.078 0.000 0.994 319 K CA -0.704 55.541 56.287 -0.070 0.000 0.860 319 K CB 2.078 34.548 32.500 -0.050 0.000 1.099 319 K HN 0.299 nan 8.250 nan 0.000 0.448 320 V N 1.090 120.924 119.914 -0.134 0.000 3.441 320 V HA 0.577 4.697 4.120 -0.000 0.000 0.300 320 V C 0.840 176.849 176.094 -0.142 0.000 1.091 320 V CA -0.145 62.049 62.300 -0.176 0.000 1.099 320 V CB 0.767 32.279 31.823 -0.520 0.000 1.138 320 V HN 1.053 nan 8.190 nan 0.000 0.471 321 G N -0.639 108.120 108.800 -0.068 0.000 2.406 321 G HA2 0.483 4.443 3.960 -0.000 0.000 0.680 321 G HA3 0.483 4.443 3.960 -0.000 0.000 0.680 321 G C -0.403 174.624 174.900 0.212 0.000 1.338 321 G CA -0.359 44.680 45.100 -0.103 0.000 0.941 321 G HN 1.249 nan 8.290 nan 0.000 0.633 322 R N -0.478 120.121 120.500 0.165 0.000 2.538 322 R HA 0.482 4.822 4.340 -0.000 0.000 0.273 322 R C 1.844 178.221 176.300 0.129 0.000 0.967 322 R CA 1.479 57.728 56.100 0.248 0.000 1.101 322 R CB -0.357 30.020 30.300 0.128 0.000 0.908 322 R HN 2.485 nan 8.270 nan 0.000 0.411 323 G N -0.204 108.654 108.800 0.096 0.000 2.807 323 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.207 323 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.207 323 G C 1.134 176.045 174.900 0.018 0.000 1.151 323 G CA 1.298 46.421 45.100 0.038 0.000 0.800 323 G HN 0.799 nan 8.290 nan 0.000 0.523 324 T N -0.259 114.308 114.554 0.021 0.000 3.040 324 T HA 0.200 4.550 4.350 -0.000 0.000 0.266 324 T C 0.715 175.418 174.700 0.004 0.000 1.005 324 T CA -0.125 61.978 62.100 0.006 0.000 0.906 324 T CB 0.042 68.911 68.868 0.000 0.000 1.082 324 T HN 0.639 nan 8.240 nan 0.000 0.531 325 E N 0.506 120.710 120.200 0.006 0.000 2.243 325 E HA 0.632 4.982 4.350 -0.000 0.000 0.260 325 E C -0.721 175.877 176.600 -0.003 0.000 0.985 325 E CA -0.852 55.547 56.400 -0.002 0.000 0.858 325 E CB 1.101 30.797 29.700 -0.006 0.000 1.210 325 E HN -0.028 nan 8.360 nan 0.000 0.411 326 S N 0.067 115.762 115.700 -0.007 0.000 2.560 326 S HA 0.332 4.802 4.470 -0.000 0.000 0.284 326 S C 1.130 175.723 174.600 -0.010 0.000 1.327 326 S CA 0.388 58.583 58.200 -0.008 0.000 1.055 326 S CB 0.571 63.766 63.200 -0.009 0.000 0.868 326 S HN 0.939 nan 8.310 nan 0.000 0.506 327 G N 1.571 110.365 108.800 -0.010 0.000 2.220 327 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.269 327 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.269 327 G C 0.279 175.170 174.900 -0.016 0.000 0.977 327 G CA 0.043 45.135 45.100 -0.013 0.000 0.634 327 G HN 1.330 nan 8.290 nan 0.000 0.539 328 A N 1.102 123.916 122.820 -0.011 0.000 2.489 328 A HA 0.584 4.904 4.320 -0.000 0.000 0.289 328 A C 1.446 179.029 177.584 -0.002 0.000 1.216 328 A CA 1.537 53.570 52.037 -0.006 0.000 0.883 328 A CB -0.163 18.842 19.000 0.009 0.000 1.110 328 A HN 1.457 nan 8.150 nan 0.000 0.523 329 T N 0.558 115.105 114.554 -0.010 0.000 3.145 329 T HA 0.413 4.763 4.350 -0.000 0.000 0.255 329 T C 0.083 174.784 174.700 0.001 0.000 1.039 329 T CA -0.184 61.912 62.100 -0.006 0.000 0.928 329 T CB -0.078 68.781 68.868 -0.016 0.000 1.029 329 T HN 0.470 nan 8.240 nan 0.000 0.554 330 L N 1.355 122.583 121.223 0.008 0.000 2.580 330 L HA 0.676 5.016 4.340 -0.000 0.000 0.266 330 L C 0.091 176.997 176.870 0.061 0.000 0.955 330 L CA -0.219 54.637 54.840 0.026 0.000 0.886 330 L CB 1.368 43.431 42.059 0.007 0.000 1.263 330 L HN 0.339 nan 8.230 nan 0.000 0.406 331 G N 5.142 113.962 108.800 0.035 0.000 2.641 331 G HA2 0.706 4.666 3.960 -0.000 0.000 0.239 331 G HA3 0.706 4.666 3.960 -0.000 0.000 0.239 331 G C -2.842 171.958 174.900 -0.167 0.000 1.402 331 G CA -0.709 44.394 45.100 0.006 0.000 1.046 331 G HN 0.441 nan 8.290 nan 0.000 0.565 332 P HA 0.437 nan 4.420 nan 0.000 0.283 332 P C -0.613 176.485 177.300 -0.338 0.000 1.278 332 P CA -0.683 61.955 63.100 -0.770 0.000 0.834 332 P CB 1.481 32.401 31.700 -1.300 0.000 1.150 333 L N 0.753 121.835 121.223 -0.234 0.000 2.482 333 L HA 0.122 4.462 4.340 -0.000 0.000 0.242 333 L C 2.169 178.890 176.870 -0.247 0.000 1.210 333 L CA 0.243 54.980 54.840 -0.171 0.000 0.819 333 L CB -0.721 41.278 42.059 -0.100 0.000 1.203 333 L HN 0.299 nan 8.230 nan 0.000 0.495 334 I N 0.073 120.439 120.570 -0.340 0.000 2.406 334 I HA -0.075 4.095 4.170 -0.000 0.000 0.249 334 I C 0.352 176.276 176.117 -0.321 0.000 1.122 334 I CA 0.956 61.973 61.300 -0.471 0.000 1.431 334 I CB -0.238 37.117 38.000 -1.075 0.000 1.087 334 I HN 0.939 nan 8.210 nan 0.000 0.424 335 N N -2.656 115.896 118.700 -0.248 0.000 3.106 335 N HA 0.106 4.846 4.740 -0.000 0.000 0.253 335 N C 0.439 175.904 175.510 -0.075 0.000 1.506 335 N CA -0.599 52.369 53.050 -0.137 0.000 0.876 335 N CB 0.205 38.615 38.487 -0.128 0.000 1.452 335 N HN -0.211 nan 8.380 nan 0.000 0.542 336 E N 0.121 120.300 120.200 -0.035 0.000 2.070 336 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 336 E C 1.670 178.268 176.600 -0.004 0.000 1.004 336 E CA 1.969 58.367 56.400 -0.005 0.000 0.805 336 E CB -0.552 29.147 29.700 -0.001 0.000 0.744 336 E HN 0.668 nan 8.360 nan 0.000 0.451 337 A N 1.249 124.063 122.820 -0.011 0.000 1.917 337 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 337 A C 2.458 180.043 177.584 0.000 0.000 1.182 337 A CA 2.629 54.666 52.037 0.001 0.000 0.633 337 A CB -0.816 18.188 19.000 0.007 0.000 0.819 337 A HN 0.359 nan 8.150 nan 0.000 0.448 338 A N -0.695 122.116 122.820 -0.015 0.000 1.940 338 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 338 A C 2.219 179.781 177.584 -0.036 0.000 1.176 338 A CA 2.024 54.059 52.037 -0.003 0.000 0.631 338 A CB -0.862 18.116 19.000 -0.035 0.000 0.814 338 A HN 0.478 nan 8.150 nan 0.000 0.446 339 V N -0.071 119.822 119.914 -0.034 0.000 2.379 339 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 339 V C 3.091 179.167 176.094 -0.029 0.000 1.044 339 V CA 2.325 64.601 62.300 -0.039 0.000 1.036 339 V CB -1.205 30.661 31.823 0.072 0.000 0.664 339 V HN 0.679 nan 8.190 nan 0.000 0.453 340 K N 0.791 121.198 120.400 0.010 0.000 2.281 340 K HA -0.231 4.088 4.320 -0.000 0.000 0.203 340 K C 2.026 178.633 176.600 0.012 0.000 1.046 340 K CA 2.067 58.370 56.287 0.027 0.000 0.938 340 K CB -0.565 31.953 32.500 0.031 0.000 0.737 340 K HN 0.540 nan 8.250 nan 0.000 0.458 341 K N 0.148 120.533 120.400 -0.024 0.000 2.116 341 K HA 0.025 4.345 4.320 -0.000 0.000 0.203 341 K C 1.909 178.443 176.600 -0.109 0.000 1.052 341 K CA 1.221 57.474 56.287 -0.056 0.000 0.952 341 K CB -0.131 32.316 32.500 -0.089 0.000 0.729 341 K HN 0.144 nan 8.250 nan 0.000 0.446 342 V N 1.185 120.999 119.914 -0.166 0.000 2.358 342 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 342 V C 1.942 177.971 176.094 -0.107 0.000 1.047 342 V CA 2.049 64.195 62.300 -0.258 0.000 1.035 342 V CB -0.474 30.957 31.823 -0.653 0.000 0.658 342 V HN 0.364 nan 8.190 nan 0.000 0.452 343 E N 0.114 120.298 120.200 -0.025 0.000 2.047 343 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 343 E C 2.437 179.102 176.600 0.109 0.000 0.987 343 E CA 1.464 57.931 56.400 0.113 0.000 0.799 343 E CB -0.319 29.473 29.700 0.152 0.000 0.752 343 E HN 0.482 nan 8.360 nan 0.000 0.449 344 S N -0.018 115.741 115.700 0.098 0.000 2.359 344 S HA -0.271 4.199 4.470 -0.000 0.000 0.223 344 S C 1.892 176.592 174.600 0.167 0.000 1.039 344 S CA 1.429 59.702 58.200 0.121 0.000 1.042 344 S CB -0.354 62.922 63.200 0.127 0.000 0.915 344 S HN 0.397 nan 8.310 nan 0.000 0.439 345 H N -0.130 118.953 119.070 0.022 0.000 2.387 345 H HA -0.045 4.511 4.556 -0.000 0.000 0.299 345 H C 2.188 177.536 175.328 0.034 0.000 1.099 345 H CA 1.730 57.795 56.048 0.028 0.000 1.315 345 H CB -0.111 29.666 29.762 0.024 0.000 1.380 345 H HN 0.412 nan 8.280 nan 0.000 0.513 346 I N 0.363 121.028 120.570 0.158 0.000 2.163 346 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 346 I C 2.887 179.051 176.117 0.078 0.000 1.081 346 I CA 0.877 62.246 61.300 0.116 0.000 1.353 346 I CB -0.258 37.834 38.000 0.155 0.000 1.054 346 I HN 0.185 nan 8.210 nan 0.000 0.407 347 A N 0.384 123.253 122.820 0.082 0.000 1.908 347 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 347 A C 1.976 179.580 177.584 0.033 0.000 1.181 347 A CA 2.490 54.561 52.037 0.057 0.000 0.627 347 A CB -0.872 18.166 19.000 0.062 0.000 0.818 347 A HN 0.544 nan 8.150 nan 0.000 0.445 348 D N -0.729 119.687 120.400 0.027 0.000 2.183 348 D HA 0.062 4.702 4.640 -0.000 0.000 0.203 348 D C 1.912 178.200 176.300 -0.020 0.000 0.969 348 D CA 1.336 55.336 54.000 -0.000 0.000 0.842 348 D CB -0.124 40.667 40.800 -0.016 0.000 0.957 348 D HN 0.341 nan 8.370 nan 0.000 0.484 349 A N 0.389 123.196 122.820 -0.022 0.000 1.872 349 A HA -0.025 4.295 4.320 -0.000 0.000 0.214 349 A C 2.131 179.699 177.584 -0.026 0.000 1.187 349 A CA 0.577 52.590 52.037 -0.040 0.000 0.614 349 A CB -0.819 18.156 19.000 -0.042 0.000 0.826 349 A HN 0.354 nan 8.150 nan 0.000 0.442 350 L N -0.005 121.216 121.223 -0.003 0.000 2.043 350 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 350 L C 2.673 179.540 176.870 -0.005 0.000 1.075 350 L CA 2.336 57.176 54.840 0.001 0.000 0.752 350 L CB -1.339 40.730 42.059 0.017 0.000 0.891 350 L HN 0.435 nan 8.230 nan 0.000 0.432 351 A N -1.312 121.507 122.820 -0.002 0.000 2.216 351 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 351 A C 1.873 179.451 177.584 -0.010 0.000 1.160 351 A CA 0.886 52.921 52.037 -0.003 0.000 0.725 351 A CB -0.288 18.713 19.000 0.002 0.000 0.784 351 A HN 0.438 nan 8.150 nan 0.000 0.472 352 K N -1.553 118.836 120.400 -0.019 0.000 2.537 352 K HA 0.333 4.653 4.320 -0.000 0.000 0.206 352 K C 0.748 177.329 176.600 -0.033 0.000 1.041 352 K CA 0.392 56.664 56.287 -0.025 0.000 1.090 352 K CB 0.428 32.909 32.500 -0.031 0.000 0.833 352 K HN 0.498 nan 8.250 nan 0.000 0.493 353 G N 0.778 109.561 108.800 -0.029 0.000 2.184 353 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.206 353 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.206 353 G C 0.105 174.983 174.900 -0.037 0.000 0.995 353 G CA -0.154 44.927 45.100 -0.031 0.000 0.651 353 G HN 0.357 nan 8.290 nan 0.000 0.511 354 A N 0.831 123.627 122.820 -0.041 0.000 2.396 354 A HA 0.725 5.045 4.320 -0.000 0.000 0.279 354 A C 0.824 178.397 177.584 -0.018 0.000 1.165 354 A CA 0.826 52.838 52.037 -0.041 0.000 0.824 354 A CB 0.380 19.346 19.000 -0.056 0.000 1.100 354 A HN 0.891 nan 8.150 nan 0.000 0.516 355 S N 0.193 115.887 115.700 -0.010 0.000 2.585 355 S HA 0.505 4.975 4.470 -0.000 0.000 0.273 355 S C 0.761 175.363 174.600 0.002 0.000 1.339 355 S CA 0.079 58.278 58.200 -0.001 0.000 1.028 355 S CB 0.695 63.897 63.200 0.004 0.000 0.906 355 S HN 1.184 nan 8.310 nan 0.000 0.528 356 L N 2.941 124.168 121.223 0.005 0.000 2.469 356 L HA 0.760 5.100 4.340 -0.000 0.000 0.253 356 L C 0.764 177.632 176.870 -0.005 0.000 1.143 356 L CA -0.332 54.513 54.840 0.009 0.000 0.804 356 L CB -0.170 41.898 42.059 0.016 0.000 1.214 356 L HN 1.028 nan 8.230 nan 0.000 0.476 357 M N -1.465 118.128 119.600 -0.011 0.000 1.794 357 M HA 0.248 4.728 4.480 -0.000 0.000 0.292 357 M C 0.185 176.463 176.300 -0.037 0.000 0.966 357 M CA 0.982 56.263 55.300 -0.030 0.000 1.072 357 M CB 1.269 33.839 32.600 -0.050 0.000 2.031 357 M HN 0.886 nan 8.290 nan 0.000 0.719 358 T N -0.806 113.733 114.554 -0.025 0.000 2.853 358 T HA 0.583 4.933 4.350 -0.000 0.000 0.311 358 T C 0.281 174.982 174.700 0.002 0.000 1.307 358 T CA 0.694 62.778 62.100 -0.027 0.000 1.019 358 T CB 1.598 70.435 68.868 -0.051 0.000 1.264 358 T HN 0.701 nan 8.240 nan 0.000 0.497 359 G N 2.359 111.152 108.800 -0.012 0.000 3.274 359 G HA2 0.037 3.997 3.960 -0.000 0.000 0.313 359 G HA3 0.037 3.997 3.960 -0.000 0.000 0.313 359 G C 1.490 176.370 174.900 -0.034 0.000 1.295 359 G CA 1.688 46.781 45.100 -0.013 0.000 1.004 359 G HN 2.427 nan 8.290 nan 0.000 0.614 360 G N -2.004 106.816 108.800 0.034 0.000 2.363 360 G HA2 0.343 4.303 3.960 -0.000 0.000 0.238 360 G HA3 0.343 4.303 3.960 -0.000 0.000 0.238 360 G C 0.956 175.846 174.900 -0.016 0.000 1.062 360 G CA 2.162 47.295 45.100 0.055 0.000 0.629 360 G HN 2.524 nan 8.290 nan 0.000 0.514 361 K N 0.070 120.279 120.400 -0.318 0.000 2.439 361 K HA 0.882 5.202 4.320 -0.000 0.000 0.260 361 K C 0.381 176.398 176.600 -0.971 0.000 1.032 361 K CA -0.022 55.983 56.287 -0.470 0.000 0.882 361 K CB 0.537 32.917 32.500 -0.200 0.000 1.420 361 K HN 0.737 nan 8.250 nan 0.000 0.455 362 R N 1.169 121.315 120.500 -0.589 0.000 2.811 362 R HA 0.097 4.437 4.340 -0.000 0.000 0.265 362 R C 0.301 176.481 176.300 -0.200 0.000 1.026 362 R CA -0.355 55.543 56.100 -0.338 0.000 1.142 362 R CB 0.138 30.422 30.300 -0.026 0.000 1.027 362 R HN 0.704 nan 8.270 nan 0.000 0.465 363 H N 0.091 119.092 119.070 -0.115 0.000 2.488 363 H HA 0.145 4.701 4.556 -0.000 0.000 0.347 363 H C 0.844 176.132 175.328 -0.067 0.000 1.174 363 H CA 0.264 56.265 56.048 -0.079 0.000 1.307 363 H CB 1.671 31.429 29.762 -0.006 0.000 1.517 363 H HN 0.702 nan 8.280 nan 0.000 0.554 364 A N 3.712 126.240 122.820 -0.487 0.000 1.884 364 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 364 A C 2.722 180.252 177.584 -0.090 0.000 1.197 364 A CA 2.686 54.561 52.037 -0.271 0.000 0.637 364 A CB -1.444 17.353 19.000 -0.339 0.000 0.827 364 A HN 0.654 nan 8.150 nan 0.000 0.450 365 L N -1.355 119.852 121.223 -0.026 0.000 2.633 365 L HA 0.374 4.714 4.340 -0.000 0.000 0.235 365 L C 2.152 179.082 176.870 0.100 0.000 1.163 365 L CA 1.618 56.400 54.840 -0.096 0.000 0.859 365 L CB -2.403 39.360 42.059 -0.493 0.000 0.973 365 L HN 1.773 nan 8.230 nan 0.000 0.451 366 G N -1.646 107.245 108.800 0.151 0.000 2.591 366 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.298 366 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.298 366 G C 0.674 175.786 174.900 0.354 0.000 1.195 366 G CA 1.471 46.666 45.100 0.158 0.000 0.989 366 G HN 1.402 nan 8.290 nan 0.000 0.551 367 H N -1.678 117.507 119.070 0.192 0.000 1.452 367 H HA -0.309 4.247 4.556 -0.000 0.000 0.090 367 H C 2.166 177.548 175.328 0.089 0.000 0.609 367 H CA 3.937 60.068 56.048 0.138 0.000 1.901 367 H CB -1.320 28.547 29.762 0.174 0.000 2.257 367 H HN 1.640 nan 8.280 nan 0.000 0.961 368 G N -1.044 107.875 108.800 0.199 0.000 3.342 368 G HA2 0.291 4.251 3.960 -0.000 0.000 0.252 368 G HA3 0.291 4.251 3.960 -0.000 0.000 0.252 368 G C -0.353 174.566 174.900 0.031 0.000 1.011 368 G CA -0.201 44.916 45.100 0.028 0.000 0.869 368 G HN 0.192 nan 8.290 nan 0.000 0.514 369 F N 0.486 120.526 119.950 0.150 0.000 2.506 369 F HA 0.556 5.083 4.527 -0.000 0.000 0.351 369 F C -0.055 175.893 175.800 0.248 0.000 1.136 369 F CA -0.068 58.019 58.000 0.145 0.000 1.298 369 F CB 0.599 39.659 39.000 0.099 0.000 1.145 369 F HN -0.020 nan 8.300 nan 0.000 0.593 370 F N 1.024 121.112 119.950 0.230 0.000 2.615 370 F HA 0.306 4.833 4.527 -0.000 0.000 0.312 370 F C -0.723 175.167 175.800 0.149 0.000 1.119 370 F CA -0.972 57.133 58.000 0.177 0.000 0.979 370 F CB 1.339 40.410 39.000 0.117 0.000 1.266 370 F HN 0.458 nan 8.300 nan 0.000 0.444 371 E N 5.739 125.902 120.200 -0.062 0.000 2.376 371 E HA 0.168 4.518 4.350 -0.000 0.000 0.266 371 E C -2.384 174.341 176.600 0.209 0.000 1.009 371 E CA -1.525 54.906 56.400 0.052 0.000 0.902 371 E CB 0.174 29.836 29.700 -0.064 0.000 0.972 371 E HN 0.198 nan 8.360 nan 0.000 0.439 372 P HA -0.073 nan 4.420 nan 0.000 0.260 372 P C -1.025 176.363 177.300 0.147 0.000 1.185 372 P CA 0.554 63.723 63.100 0.114 0.000 0.763 372 P CB 0.451 32.052 31.700 -0.165 0.000 0.776 373 T N 2.751 117.464 114.554 0.265 0.000 2.823 373 T HA 0.527 4.877 4.350 -0.000 0.000 0.279 373 T C -0.129 174.665 174.700 0.157 0.000 0.998 373 T CA -0.512 61.715 62.100 0.212 0.000 0.994 373 T CB 1.125 70.166 68.868 0.287 0.000 0.960 373 T HN -0.016 nan 8.240 nan 0.000 0.448 374 V N 3.619 123.572 119.914 0.064 0.000 2.823 374 V HA 0.675 4.795 4.120 -0.000 0.000 0.312 374 V C -0.793 175.294 176.094 -0.011 0.000 1.072 374 V CA -0.903 61.392 62.300 -0.009 0.000 0.937 374 V CB 1.946 33.712 31.823 -0.096 0.000 1.013 374 V HN 0.730 nan 8.190 nan 0.000 0.430 375 L N 2.791 123.997 121.223 -0.028 0.000 2.445 375 L HA 0.761 5.101 4.340 -0.000 0.000 0.262 375 L C -0.077 176.784 176.870 -0.015 0.000 0.974 375 L CA -0.454 54.379 54.840 -0.012 0.000 0.822 375 L CB 2.743 44.806 42.059 0.006 0.000 1.339 375 L HN 0.821 nan 8.230 nan 0.000 0.409 376 T N -2.555 112.008 114.554 0.015 0.000 2.938 376 T HA 0.619 4.969 4.350 -0.000 0.000 0.285 376 T C 0.770 175.511 174.700 0.069 0.000 1.028 376 T CA -0.187 61.976 62.100 0.105 0.000 1.005 376 T CB 1.646 70.600 68.868 0.144 0.000 1.157 376 T HN 1.055 nan 8.240 nan 0.000 0.550 377 G N 0.223 109.088 108.800 0.109 0.000 2.395 377 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.300 377 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.300 377 G C -0.040 174.786 174.900 -0.122 0.000 0.998 377 G CA 0.074 45.144 45.100 -0.051 0.000 1.046 377 G HN 1.119 nan 8.290 nan 0.000 0.513 378 V N 0.450 120.241 119.914 -0.205 0.000 2.356 378 V HA 0.617 4.737 4.120 -0.000 0.000 0.258 378 V C 1.022 176.772 176.094 -0.572 0.000 1.065 378 V CA 0.343 62.363 62.300 -0.466 0.000 0.935 378 V CB 0.230 31.603 31.823 -0.749 0.000 1.061 378 V HN 0.868 nan 8.190 nan 0.000 0.484 379 K N 7.391 127.606 120.400 -0.309 0.000 2.168 379 K HA 0.410 4.730 4.320 -0.000 0.000 0.258 379 K C -1.308 175.246 176.600 -0.076 0.000 1.010 379 K CA -1.365 54.840 56.287 -0.137 0.000 0.929 379 K CB -0.365 32.101 32.500 -0.057 0.000 0.998 379 K HN 0.557 nan 8.250 nan 0.000 0.479 380 P HA -0.149 nan 4.420 nan 0.000 0.236 380 P C -0.066 177.354 177.300 0.200 0.000 1.172 380 P CA 1.083 64.387 63.100 0.341 0.000 0.759 380 P CB 0.176 32.066 31.700 0.317 0.000 0.843 381 D N -1.869 118.587 120.400 0.094 0.000 2.369 381 D HA 0.043 4.683 4.640 -0.000 0.000 0.211 381 D C 0.550 176.866 176.300 0.028 0.000 1.077 381 D CA -0.065 53.971 54.000 0.061 0.000 0.842 381 D CB -0.154 40.670 40.800 0.039 0.000 0.947 381 D HN 0.164 nan 8.370 nan 0.000 0.509 382 M N 1.129 120.732 119.600 0.005 0.000 2.247 382 M HA 0.081 4.561 4.480 -0.000 0.000 0.326 382 M C 0.900 177.176 176.300 -0.041 0.000 1.134 382 M CA -0.542 54.735 55.300 -0.039 0.000 1.136 382 M CB 1.005 33.552 32.600 -0.089 0.000 1.454 382 M HN -0.344 nan 8.290 nan 0.000 0.467 383 D N 0.809 121.137 120.400 -0.120 0.000 2.149 383 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 383 D C 1.814 177.967 176.300 -0.244 0.000 1.001 383 D CA 1.231 55.116 54.000 -0.191 0.000 0.849 383 D CB -0.251 40.366 40.800 -0.305 0.000 0.939 383 D HN 0.436 nan 8.370 nan 0.000 0.449 384 V N 0.582 120.286 119.914 -0.350 0.000 2.660 384 V HA -0.269 3.851 4.120 -0.000 0.000 0.257 384 V C 2.040 178.265 176.094 0.218 0.000 1.088 384 V CA 2.003 64.261 62.300 -0.071 0.000 1.106 384 V CB -0.436 31.431 31.823 0.073 0.000 0.686 384 V HN 0.251 nan 8.190 nan 0.000 0.481 385 A N -0.990 121.976 122.820 0.244 0.000 2.072 385 A HA 0.083 4.403 4.320 -0.000 0.000 0.216 385 A C 2.220 179.936 177.584 0.220 0.000 1.156 385 A CA 1.594 53.828 52.037 0.328 0.000 0.701 385 A CB -0.336 18.912 19.000 0.414 0.000 0.816 385 A HN 0.598 nan 8.150 nan 0.000 0.458 386 K N -0.114 120.393 120.400 0.179 0.000 2.399 386 K HA 0.322 4.642 4.320 -0.000 0.000 0.196 386 K C 0.523 177.262 176.600 0.232 0.000 1.103 386 K CA 0.595 57.000 56.287 0.196 0.000 0.986 386 K CB 0.081 32.667 32.500 0.144 0.000 0.952 386 K HN 0.625 nan 8.250 nan 0.000 0.541 387 E N 0.317 120.633 120.200 0.194 0.000 2.212 387 E HA 0.293 4.643 4.350 -0.000 0.000 0.270 387 E C -1.216 175.479 176.600 0.159 0.000 0.956 387 E CA -0.707 55.804 56.400 0.185 0.000 0.825 387 E CB 1.887 31.769 29.700 0.302 0.000 1.167 387 E HN 0.385 nan 8.360 nan 0.000 0.400 388 E N 0.788 120.950 120.200 -0.063 0.000 2.259 388 E HA 0.047 4.397 4.350 -0.000 0.000 0.281 388 E C 0.271 176.781 176.600 -0.150 0.000 1.037 388 E CA -0.014 56.306 56.400 -0.134 0.000 0.854 388 E CB 0.936 30.389 29.700 -0.411 0.000 1.051 388 E HN 0.483 nan 8.360 nan 0.000 0.409 389 T N 3.484 118.018 114.554 -0.033 0.000 2.737 389 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 389 T C 0.389 175.091 174.700 0.002 0.000 1.038 389 T CA 0.405 62.394 62.100 -0.184 0.000 1.144 389 T CB -0.157 68.724 68.868 0.022 0.000 0.866 389 T HN 0.560 nan 8.240 nan 0.000 0.434 390 F N 1.305 121.207 119.950 -0.080 0.000 3.067 390 F HA -0.053 4.473 4.527 -0.000 0.000 0.279 390 F C 0.830 176.618 175.800 -0.020 0.000 0.945 390 F CA 0.678 58.666 58.000 -0.020 0.000 0.948 390 F CB -1.697 37.321 39.000 0.030 0.000 0.898 390 F HN 0.341 nan 8.300 nan 0.000 0.746 391 G N -0.895 107.958 108.800 0.089 0.000 2.684 391 G HA2 0.633 4.593 3.960 -0.000 0.000 0.290 391 G HA3 0.633 4.593 3.960 -0.000 0.000 0.290 391 G C -2.821 172.089 174.900 0.017 0.000 1.425 391 G CA -0.877 44.224 45.100 0.001 0.000 0.822 391 G HN -0.205 nan 8.290 nan 0.000 0.482 392 P HA 0.309 nan 4.420 nan 0.000 0.246 392 P C 0.374 177.815 177.300 0.235 0.000 1.686 392 P CA 0.138 63.358 63.100 0.200 0.000 0.867 392 P CB -0.355 31.593 31.700 0.413 0.000 1.733 393 L N -0.037 121.247 121.223 0.102 0.000 2.264 393 L HA 0.821 5.161 4.340 -0.000 0.000 0.289 393 L C 0.715 177.661 176.870 0.127 0.000 1.044 393 L CA -1.193 53.729 54.840 0.137 0.000 0.807 393 L CB 0.725 42.855 42.059 0.119 0.000 1.192 393 L HN 0.196 nan 8.230 nan 0.000 0.425 394 A N 4.959 127.851 122.820 0.120 0.000 2.582 394 A HA 0.732 5.052 4.320 -0.000 0.000 0.336 394 A C -2.562 175.054 177.584 0.053 0.000 1.445 394 A CA -1.405 50.670 52.037 0.063 0.000 0.997 394 A CB -0.366 18.499 19.000 -0.224 0.000 1.148 394 A HN 0.678 nan 8.150 nan 0.000 0.514 395 P HA 0.406 nan 4.420 nan 0.000 0.293 395 P C -0.802 176.695 177.300 0.330 0.000 1.313 395 P CA -0.101 63.127 63.100 0.213 0.000 0.787 395 P CB 1.015 32.878 31.700 0.272 0.000 0.910 396 L N 4.529 125.844 121.223 0.153 0.000 2.262 396 L HA 0.470 4.810 4.340 -0.000 0.000 0.288 396 L C 0.178 177.226 176.870 0.297 0.000 1.035 396 L CA -0.615 54.391 54.840 0.276 0.000 0.820 396 L CB -0.011 42.088 42.059 0.066 0.000 1.204 396 L HN 0.234 nan 8.230 nan 0.000 0.424 397 F N 1.848 121.825 119.950 0.045 0.000 2.371 397 F HA 0.487 5.014 4.527 -0.000 0.000 0.329 397 F C 0.784 176.681 175.800 0.161 0.000 1.107 397 F CA -0.690 57.283 58.000 -0.045 0.000 1.137 397 F CB 1.099 39.798 39.000 -0.502 0.000 1.214 397 F HN 0.446 nan 8.300 nan 0.000 0.536 398 R N 2.602 123.257 120.500 0.258 0.000 2.407 398 R HA 0.483 4.823 4.340 -0.000 0.000 0.303 398 R C -1.426 175.055 176.300 0.301 0.000 0.981 398 R CA -0.535 55.645 56.100 0.133 0.000 0.905 398 R CB 0.977 31.160 30.300 -0.195 0.000 1.099 398 R HN 0.643 nan 8.270 nan 0.000 0.459 399 F N 1.468 121.527 119.950 0.181 0.000 2.593 399 F HA 0.746 5.273 4.527 -0.000 0.000 0.320 399 F C -0.364 175.462 175.800 0.043 0.000 1.060 399 F CA -0.665 57.433 58.000 0.164 0.000 0.940 399 F CB 1.757 40.896 39.000 0.231 0.000 1.268 399 F HN 0.482 nan 8.300 nan 0.000 0.475 400 A N 1.043 123.975 122.820 0.187 0.000 1.993 400 A HA 0.472 4.792 4.320 -0.000 0.000 0.202 400 A C 0.568 178.376 177.584 0.373 0.000 1.461 400 A CA 0.797 52.852 52.037 0.029 0.000 0.824 400 A CB -0.751 18.276 19.000 0.046 0.000 1.024 400 A HN 1.031 nan 8.150 nan 0.000 0.507 401 S N -1.229 114.752 115.700 0.468 0.000 2.599 401 S HA 0.443 4.912 4.470 -0.000 0.000 0.294 401 S C 0.459 175.332 174.600 0.455 0.000 1.094 401 S CA 0.238 58.703 58.200 0.441 0.000 0.931 401 S CB 1.841 65.193 63.200 0.254 0.000 1.093 401 S HN 0.359 nan 8.310 nan 0.000 0.488 402 E N 0.940 121.381 120.200 0.401 0.000 2.086 402 E HA -0.292 4.058 4.350 -0.000 0.000 0.200 402 E C 1.673 178.361 176.600 0.147 0.000 1.012 402 E CA 1.953 58.538 56.400 0.309 0.000 0.812 402 E CB -0.191 29.613 29.700 0.174 0.000 0.743 402 E HN 0.862 nan 8.360 nan 0.000 0.453 403 E N 0.267 120.541 120.200 0.123 0.000 2.051 403 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 403 E C 2.108 178.743 176.600 0.059 0.000 0.991 403 E CA 1.360 57.803 56.400 0.071 0.000 0.799 403 E CB -0.091 29.651 29.700 0.069 0.000 0.748 403 E HN 0.319 nan 8.360 nan 0.000 0.449 404 E N 0.508 120.771 120.200 0.105 0.000 2.058 404 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 404 E C 2.381 178.995 176.600 0.025 0.000 0.997 404 E CA 1.155 57.617 56.400 0.104 0.000 0.801 404 E CB -0.180 29.632 29.700 0.187 0.000 0.746 404 E HN 0.349 nan 8.360 nan 0.000 0.450 405 L N 0.488 121.679 121.223 -0.053 0.000 1.989 405 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 405 L C 2.392 179.053 176.870 -0.348 0.000 1.071 405 L CA 1.400 56.011 54.840 -0.382 0.000 0.749 405 L CB -0.310 41.276 42.059 -0.789 0.000 0.890 405 L HN 0.031 nan 8.230 nan 0.000 0.431 406 V N 0.232 120.036 119.914 -0.183 0.000 2.287 406 V HA -0.335 3.785 4.120 -0.000 0.000 0.248 406 V C 2.787 178.810 176.094 -0.117 0.000 1.053 406 V CA 2.387 64.606 62.300 -0.135 0.000 1.027 406 V CB -0.852 30.936 31.823 -0.059 0.000 0.646 406 V HN 0.543 nan 8.190 nan 0.000 0.447 407 R N -0.634 119.821 120.500 -0.074 0.000 2.083 407 R HA -0.178 4.162 4.340 -0.000 0.000 0.237 407 R C 2.265 178.532 176.300 -0.057 0.000 1.137 407 R CA 1.642 57.715 56.100 -0.044 0.000 0.951 407 R CB -0.301 29.996 30.300 -0.006 0.000 0.851 407 R HN 0.337 nan 8.270 nan 0.000 0.434 408 L N 0.608 121.776 121.223 -0.091 0.000 1.994 408 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 408 L C 2.521 179.263 176.870 -0.213 0.000 1.071 408 L CA 2.189 56.977 54.840 -0.087 0.000 0.745 408 L CB -1.068 40.953 42.059 -0.063 0.000 0.892 408 L HN 0.299 nan 8.230 nan 0.000 0.431 409 A N -0.768 121.778 122.820 -0.457 0.000 1.902 409 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 409 A C 2.133 179.705 177.584 -0.020 0.000 1.181 409 A CA 1.831 53.632 52.037 -0.394 0.000 0.623 409 A CB -0.590 18.127 19.000 -0.472 0.000 0.818 409 A HN 0.508 nan 8.150 nan 0.000 0.443 410 N N 0.387 119.073 118.700 -0.024 0.000 2.216 410 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 410 N C 0.188 175.685 175.510 -0.022 0.000 1.017 410 N CA 0.959 54.005 53.050 -0.007 0.000 0.861 410 N CB -0.520 37.939 38.487 -0.046 0.000 0.986 410 N HN 0.456 nan 8.380 nan 0.000 0.428 411 D N 1.014 121.409 120.400 -0.008 0.000 2.483 411 D HA 0.012 4.652 4.640 -0.000 0.000 0.261 411 D C -0.629 175.692 176.300 0.036 0.000 1.318 411 D CA 0.707 54.714 54.000 0.011 0.000 1.201 411 D CB -0.370 40.452 40.800 0.035 0.000 1.127 411 D HN 0.030 nan 8.370 nan 0.000 0.519 412 T N 0.166 114.719 114.554 -0.002 0.000 3.168 412 T HA 0.392 4.742 4.350 -0.000 0.000 0.373 412 T C 0.849 175.474 174.700 -0.125 0.000 1.681 412 T CA 0.114 62.219 62.100 0.008 0.000 1.135 412 T CB 0.419 69.372 68.868 0.142 0.000 1.477 412 T HN 0.096 nan 8.240 nan 0.000 0.480 413 E N 2.836 122.869 120.200 -0.278 0.000 2.160 413 E HA 0.145 4.495 4.350 -0.000 0.000 0.195 413 E C 0.337 176.636 176.600 -0.503 0.000 0.991 413 E CA 1.368 57.472 56.400 -0.493 0.000 0.810 413 E CB -0.496 28.735 29.700 -0.783 0.000 0.742 413 E HN 0.558 nan 8.360 nan 0.000 0.466 414 F N -0.979 118.925 119.950 -0.076 0.000 2.370 414 F HA 0.597 5.124 4.527 -0.000 0.000 0.324 414 F C 1.197 176.855 175.800 -0.236 0.000 1.116 414 F CA -0.385 57.558 58.000 -0.094 0.000 1.123 414 F CB 2.157 41.149 39.000 -0.014 0.000 1.238 414 F HN 0.048 nan 8.300 nan 0.000 0.536 415 G N 1.771 110.534 108.800 -0.062 0.000 3.430 415 G HA2 0.409 4.369 3.960 -0.000 0.000 0.298 415 G HA3 0.409 4.369 3.960 -0.000 0.000 0.298 415 G C -0.842 174.003 174.900 -0.092 0.000 2.115 415 G CA -0.141 44.687 45.100 -0.454 0.000 0.686 415 G HN 0.590 nan 8.290 nan 0.000 0.404 416 L N 1.372 122.691 121.223 0.160 0.000 2.670 416 L HA 0.897 5.237 4.340 -0.000 0.000 0.177 416 L C 1.058 177.925 176.870 -0.005 0.000 1.181 416 L CA 1.230 56.091 54.840 0.035 0.000 0.856 416 L CB 0.217 42.278 42.059 0.003 0.000 1.205 416 L HN 0.508 nan 8.230 nan 0.000 0.506 417 A N -0.472 122.338 122.820 -0.016 0.000 2.365 417 A HA 0.899 5.219 4.320 -0.000 0.000 0.318 417 A C -1.026 176.242 177.584 -0.526 0.000 1.091 417 A CA 0.055 51.925 52.037 -0.279 0.000 0.763 417 A CB 1.257 20.092 19.000 -0.275 0.000 1.248 417 A HN 0.484 nan 8.150 nan 0.000 0.442 418 A N 0.622 122.964 122.820 -0.797 0.000 2.527 418 A HA 0.902 5.222 4.320 -0.000 0.000 0.293 418 A C -1.720 175.269 177.584 -0.992 0.000 1.117 418 A CA -0.485 51.022 52.037 -0.884 0.000 0.723 418 A CB 1.088 19.542 19.000 -0.910 0.000 1.313 418 A HN 0.990 nan 8.150 nan 0.000 0.411 419 Y N -0.820 119.254 120.300 -0.378 0.000 2.504 419 Y HA 0.654 5.204 4.550 -0.000 0.000 0.344 419 Y C -0.800 174.794 175.900 -0.509 0.000 1.023 419 Y CA -0.737 57.102 58.100 -0.435 0.000 1.020 419 Y CB 2.376 40.526 38.460 -0.515 0.000 1.282 419 Y HN 0.658 nan 8.280 nan 0.000 0.454 420 L N 3.241 124.288 121.223 -0.294 0.000 2.476 420 L HA 0.592 4.932 4.340 -0.000 0.000 0.269 420 L C -2.316 174.414 176.870 -0.234 0.000 0.965 420 L CA -0.848 53.866 54.840 -0.210 0.000 0.845 420 L CB 1.156 43.114 42.059 -0.168 0.000 1.259 420 L HN 0.598 nan 8.230 nan 0.000 0.403 421 Y N 3.727 123.980 120.300 -0.078 0.000 2.328 421 Y HA 0.773 5.323 4.550 -0.000 0.000 0.333 421 Y C 0.200 176.177 175.900 0.128 0.000 0.958 421 Y CA 0.014 58.120 58.100 0.009 0.000 1.167 421 Y CB 2.066 40.529 38.460 0.006 0.000 1.151 421 Y HN 0.727 nan 8.280 nan 0.000 0.470 422 S N 2.275 118.071 115.700 0.161 0.000 2.611 422 S HA 0.451 4.921 4.470 -0.000 0.000 0.270 422 S C -0.307 174.325 174.600 0.053 0.000 1.131 422 S CA -0.695 57.582 58.200 0.129 0.000 0.826 422 S CB 1.501 64.730 63.200 0.047 0.000 1.095 422 S HN 0.642 nan 8.310 nan 0.000 0.461 423 R N 1.081 121.607 120.500 0.044 0.000 2.279 423 R HA 0.371 4.711 4.340 -0.000 0.000 0.195 423 R C -0.426 175.882 176.300 0.014 0.000 0.905 423 R CA 0.330 56.452 56.100 0.037 0.000 1.044 423 R CB -0.005 30.326 30.300 0.052 0.000 1.056 423 R HN 0.663 nan 8.270 nan 0.000 0.535 424 D N -0.009 120.384 120.400 -0.012 0.000 2.343 424 D HA 0.000 4.640 4.640 -0.000 0.000 0.255 424 D C 1.228 177.529 176.300 0.003 0.000 1.187 424 D CA -0.047 53.941 54.000 -0.019 0.000 0.875 424 D CB 0.699 41.465 40.800 -0.056 0.000 1.136 424 D HN 0.009 nan 8.370 nan 0.000 0.469 425 I N 4.038 124.628 120.570 0.034 0.000 2.194 425 I HA -0.127 4.043 4.170 -0.000 0.000 0.246 425 I C 1.889 178.087 176.117 0.135 0.000 1.093 425 I CA 2.133 63.495 61.300 0.105 0.000 1.355 425 I CB -0.394 37.637 38.000 0.051 0.000 1.046 425 I HN 0.602 nan 8.210 nan 0.000 0.413 426 G N -0.293 108.525 108.800 0.029 0.000 2.484 426 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.215 426 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.215 426 G C 1.832 176.739 174.900 0.012 0.000 1.219 426 G CA 0.862 45.969 45.100 0.012 0.000 0.791 426 G HN 0.373 nan 8.290 nan 0.000 0.550 427 R N -0.322 120.133 120.500 -0.074 0.000 2.136 427 R HA -0.149 4.191 4.340 -0.000 0.000 0.242 427 R C 2.738 178.944 176.300 -0.157 0.000 1.131 427 R CA 2.052 58.036 56.100 -0.193 0.000 0.937 427 R CB -0.715 29.377 30.300 -0.346 0.000 0.863 427 R HN 0.237 nan 8.270 nan 0.000 0.435 428 V N -0.658 119.201 119.914 -0.091 0.000 2.282 428 V HA -0.300 3.820 4.120 -0.000 0.000 0.249 428 V C 1.908 177.965 176.094 -0.062 0.000 1.057 428 V CA 2.176 64.428 62.300 -0.080 0.000 1.032 428 V CB -0.598 31.195 31.823 -0.050 0.000 0.645 428 V HN 0.498 nan 8.190 nan 0.000 0.447 429 W N 0.186 121.425 121.300 -0.102 0.000 2.381 429 W HA -0.062 4.598 4.660 -0.000 0.000 0.301 429 W C 2.790 179.263 176.519 -0.077 0.000 1.205 429 W CA 1.432 58.729 57.345 -0.080 0.000 1.285 429 W CB -0.315 29.105 29.460 -0.066 0.000 1.133 429 W HN 0.066 nan 8.180 nan 0.000 0.521 430 R N -0.425 120.153 120.500 0.131 0.000 2.070 430 R HA -0.162 4.178 4.340 -0.000 0.000 0.233 430 R C 1.875 178.172 176.300 -0.004 0.000 1.137 430 R CA 2.008 58.139 56.100 0.051 0.000 0.945 430 R CB -1.222 29.082 30.300 0.008 0.000 0.845 430 R HN 0.106 nan 8.270 nan 0.000 0.430 431 V N 1.092 120.980 119.914 -0.042 0.000 2.358 431 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 431 V C 2.518 178.564 176.094 -0.080 0.000 1.047 431 V CA 1.844 64.113 62.300 -0.051 0.000 1.035 431 V CB -0.877 30.930 31.823 -0.027 0.000 0.658 431 V HN 0.397 nan 8.190 nan 0.000 0.452 432 A N -0.131 122.612 122.820 -0.127 0.000 1.892 432 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 432 A C 2.207 179.708 177.584 -0.138 0.000 1.188 432 A CA 2.267 54.194 52.037 -0.183 0.000 0.631 432 A CB -0.549 18.262 19.000 -0.316 0.000 0.822 432 A HN 0.636 nan 8.150 nan 0.000 0.447 433 E N -0.756 119.387 120.200 -0.094 0.000 2.106 433 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 433 E C 2.200 178.777 176.600 -0.038 0.000 0.984 433 E CA 0.843 57.214 56.400 -0.048 0.000 0.806 433 E CB -0.213 29.499 29.700 0.020 0.000 0.750 433 E HN 0.634 nan 8.360 nan 0.000 0.458 434 A N 0.869 123.669 122.820 -0.033 0.000 2.067 434 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 434 A C 1.158 178.726 177.584 -0.027 0.000 1.156 434 A CA 0.102 52.121 52.037 -0.029 0.000 0.683 434 A CB -0.181 18.804 19.000 -0.025 0.000 0.808 434 A HN 0.082 nan 8.150 nan 0.000 0.455 435 L N 1.866 123.077 121.223 -0.020 0.000 2.565 435 L HA 0.035 4.375 4.340 -0.000 0.000 0.275 435 L C 0.051 176.963 176.870 0.071 0.000 1.137 435 L CA -0.158 54.717 54.840 0.059 0.000 0.915 435 L CB 0.194 42.273 42.059 0.032 0.000 1.232 435 L HN 0.337 nan 8.230 nan 0.000 0.473 436 E N 4.172 124.363 120.200 -0.015 0.000 2.443 436 E HA 0.009 4.359 4.350 -0.000 0.000 0.310 436 E C -1.221 175.139 176.600 -0.401 0.000 1.202 436 E CA 0.277 56.568 56.400 -0.182 0.000 1.301 436 E CB -0.164 29.392 29.700 -0.239 0.000 1.104 436 E HN 0.351 nan 8.360 nan 0.000 0.487 437 Y N -1.461 118.759 120.300 -0.134 0.000 2.492 437 Y HA 0.313 4.863 4.550 -0.000 0.000 0.346 437 Y C 1.193 176.988 175.900 -0.176 0.000 0.997 437 Y CA -0.919 57.088 58.100 -0.155 0.000 1.025 437 Y CB 2.003 40.352 38.460 -0.185 0.000 1.263 437 Y HN 0.208 nan 8.280 nan 0.000 0.454 438 G N 1.890 110.664 108.800 -0.044 0.000 2.920 438 G HA2 0.163 4.123 3.960 -0.000 0.000 0.208 438 G HA3 0.163 4.123 3.960 -0.000 0.000 0.208 438 G C -0.019 174.777 174.900 -0.173 0.000 1.159 438 G CA 0.302 45.325 45.100 -0.129 0.000 0.784 438 G HN 0.463 nan 8.290 nan 0.000 0.535 439 M N 0.373 119.871 119.600 -0.170 0.000 2.274 439 M HA 0.260 4.740 4.480 -0.000 0.000 0.272 439 M C -1.855 174.271 176.300 -0.290 0.000 1.053 439 M CA -0.302 54.855 55.300 -0.239 0.000 0.978 439 M CB 3.230 35.642 32.600 -0.313 0.000 1.836 439 M HN -0.239 nan 8.290 nan 0.000 0.484 440 V N 2.066 121.816 119.914 -0.274 0.000 2.443 440 V HA 0.648 4.768 4.120 -0.000 0.000 0.293 440 V C 0.383 176.302 176.094 -0.291 0.000 1.021 440 V CA -0.760 61.347 62.300 -0.322 0.000 0.848 440 V CB 1.764 33.427 31.823 -0.267 0.000 0.998 440 V HN 0.963 nan 8.190 nan 0.000 0.424 441 G N 4.768 113.372 108.800 -0.327 0.000 2.355 441 G HA2 0.610 4.570 3.960 -0.000 0.000 0.276 441 G HA3 0.610 4.570 3.960 -0.000 0.000 0.276 441 G C -0.569 174.202 174.900 -0.216 0.000 1.198 441 G CA -0.298 44.708 45.100 -0.157 0.000 0.876 441 G HN 0.656 nan 8.290 nan 0.000 0.478 442 I N 2.716 123.148 120.570 -0.231 0.000 2.330 442 I HA 0.136 4.306 4.170 -0.000 0.000 0.286 442 I C -0.161 175.727 176.117 -0.381 0.000 1.025 442 I CA -0.688 60.434 61.300 -0.297 0.000 1.197 442 I CB 1.134 38.984 38.000 -0.251 0.000 1.358 442 I HN 0.493 nan 8.210 nan 0.000 0.467 443 N N 2.472 120.727 118.700 -0.741 0.000 2.735 443 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 443 N C -0.235 174.906 175.510 -0.616 0.000 1.083 443 N CA 1.226 53.570 53.050 -1.177 0.000 0.703 443 N CB -0.967 37.229 38.487 -0.485 0.000 1.005 443 N HN 0.734 nan 8.380 nan 0.000 0.550 444 T N -3.243 111.088 114.554 -0.372 0.000 2.821 444 T HA 0.645 4.995 4.350 -0.000 0.000 0.306 444 T C 0.704 175.565 174.700 0.268 0.000 1.313 444 T CA 0.087 62.242 62.100 0.091 0.000 1.012 444 T CB 1.580 70.477 68.868 0.048 0.000 1.298 444 T HN 0.080 nan 8.240 nan 0.000 0.502 445 G N 1.181 110.142 108.800 0.269 0.000 3.228 445 G HA2 0.417 4.377 3.960 -0.000 0.000 0.245 445 G HA3 0.417 4.377 3.960 -0.000 0.000 0.245 445 G C -0.268 174.712 174.900 0.135 0.000 1.051 445 G CA -0.168 45.023 45.100 0.152 0.000 0.809 445 G HN 0.571 nan 8.290 nan 0.000 0.531 446 L N 1.721 123.041 121.223 0.161 0.000 2.342 446 L HA 0.508 4.848 4.340 -0.000 0.000 0.276 446 L C 0.429 177.368 176.870 0.115 0.000 0.997 446 L CA -0.667 54.245 54.840 0.120 0.000 0.838 446 L CB 1.743 43.841 42.059 0.066 0.000 1.224 446 L HN 0.237 nan 8.230 nan 0.000 0.416 447 I N -2.078 118.572 120.570 0.134 0.000 4.102 447 I HA 0.320 4.490 4.170 -0.000 0.000 0.325 447 I C 0.000 176.177 176.117 0.099 0.000 1.471 447 I CA -0.091 61.263 61.300 0.091 0.000 1.133 447 I CB 0.987 39.025 38.000 0.063 0.000 1.184 447 I HN 0.310 nan 8.210 nan 0.000 0.451 448 S N 3.370 119.115 115.700 0.076 0.000 2.465 448 S HA 0.528 4.998 4.470 -0.000 0.000 0.279 448 S C -0.350 174.293 174.600 0.072 0.000 1.201 448 S CA -0.400 57.851 58.200 0.086 0.000 1.053 448 S CB 0.472 63.564 63.200 -0.180 0.000 0.953 448 S HN 0.782 nan 8.310 nan 0.000 0.488 449 N N 0.443 119.222 118.700 0.132 0.000 3.046 449 N HA 0.199 4.939 4.740 -0.000 0.000 0.243 449 N C 0.164 175.497 175.510 -0.295 0.000 1.452 449 N CA -0.925 52.118 53.050 -0.011 0.000 0.882 449 N CB 0.569 38.996 38.487 -0.100 0.000 1.425 449 N HN 0.315 nan 8.380 nan 0.000 0.517 450 E N -0.102 119.682 120.200 -0.695 0.000 2.358 450 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 450 E C 1.101 176.865 176.600 -1.394 0.000 1.010 450 E CA 1.403 56.987 56.400 -1.359 0.000 0.856 450 E CB -0.254 28.535 29.700 -1.517 0.000 0.795 450 E HN 0.567 nan 8.360 nan 0.000 0.504 451 V N -1.804 117.477 119.914 -1.056 0.000 3.647 451 V HA 0.549 4.669 4.120 -0.000 0.000 0.279 451 V C 0.782 176.596 176.094 -0.466 0.000 1.314 451 V CA 0.129 61.768 62.300 -1.101 0.000 1.125 451 V CB -0.096 31.256 31.823 -0.786 0.000 0.907 451 V HN 0.289 nan 8.190 nan 0.000 0.434 452 A N 2.110 124.750 122.820 -0.299 0.000 2.331 452 A HA 0.841 5.161 4.320 -0.000 0.000 0.320 452 A C -2.820 174.769 177.584 0.008 0.000 1.138 452 A CA -2.011 49.970 52.037 -0.094 0.000 0.790 452 A CB 0.850 19.812 19.000 -0.063 0.000 1.206 452 A HN 0.291 nan 8.150 nan 0.000 0.470 453 P HA 0.064 nan 4.420 nan 0.000 0.262 453 P C -0.978 176.384 177.300 0.104 0.000 1.199 453 P CA 0.568 63.730 63.100 0.105 0.000 0.763 453 P CB 0.069 31.771 31.700 0.004 0.000 0.790 454 F N 4.043 124.018 119.950 0.042 0.000 2.411 454 F HA 0.647 5.174 4.527 -0.000 0.000 0.352 454 F C 0.452 176.260 175.800 0.013 0.000 1.123 454 F CA 0.631 58.650 58.000 0.032 0.000 1.044 454 F CB 1.345 40.395 39.000 0.082 0.000 1.135 454 F HN 0.640 nan 8.300 nan 0.000 0.461 455 G N 2.738 111.250 108.800 -0.479 0.000 2.337 455 G HA2 0.448 4.408 3.960 -0.000 0.000 0.298 455 G HA3 0.448 4.408 3.960 -0.000 0.000 0.298 455 G C -1.524 173.206 174.900 -0.282 0.000 1.335 455 G CA -0.271 44.654 45.100 -0.293 0.000 0.875 455 G HN 1.044 nan 8.290 nan 0.000 0.579 456 G N -1.626 107.073 108.800 -0.167 0.000 2.658 456 G HA2 0.937 4.897 3.960 -0.000 0.000 0.292 456 G HA3 0.937 4.897 3.960 -0.000 0.000 0.292 456 G C 0.063 174.901 174.900 -0.103 0.000 1.320 456 G CA 0.386 45.405 45.100 -0.135 0.000 0.933 456 G HN 1.916 nan 8.290 nan 0.000 0.476 457 V N -1.642 118.199 119.914 -0.121 0.000 3.503 457 V HA 0.745 4.865 4.120 -0.000 0.000 0.294 457 V C 1.157 177.180 176.094 -0.117 0.000 1.102 457 V CA -0.046 62.180 62.300 -0.124 0.000 0.979 457 V CB 0.534 32.261 31.823 -0.159 0.000 1.240 457 V HN 1.088 nan 8.190 nan 0.000 0.444 458 K N -1.200 119.125 120.400 -0.125 0.000 2.004 458 K HA -0.258 4.062 4.320 -0.000 0.000 0.116 458 K C 1.181 177.728 176.600 -0.088 0.000 1.340 458 K CA 2.158 58.368 56.287 -0.128 0.000 0.509 458 K CB -1.167 31.222 32.500 -0.185 0.000 0.538 458 K HN 0.829 nan 8.250 nan 0.000 0.955 459 Q N 0.432 120.173 119.800 -0.099 0.000 2.415 459 Q HA 0.112 4.452 4.340 -0.000 0.000 0.206 459 Q C 1.071 177.150 176.000 0.131 0.000 0.946 459 Q CA 0.778 56.557 55.803 -0.040 0.000 0.951 459 Q CB 0.646 29.246 28.738 -0.229 0.000 1.026 459 Q HN 0.361 nan 8.270 nan 0.000 0.510 460 S N -0.361 115.401 115.700 0.104 0.000 2.575 460 S HA 0.341 4.811 4.470 -0.000 0.000 0.215 460 S C 0.856 175.487 174.600 0.053 0.000 0.966 460 S CA 0.436 58.703 58.200 0.113 0.000 0.911 460 S CB 0.593 63.832 63.200 0.065 0.000 0.780 460 S HN 0.582 nan 8.310 nan 0.000 0.514 461 G N 0.484 109.305 108.800 0.035 0.000 2.302 461 G HA2 0.237 4.197 3.960 -0.000 0.000 0.264 461 G HA3 0.237 4.197 3.960 -0.000 0.000 0.264 461 G C -2.227 172.677 174.900 0.008 0.000 1.335 461 G CA -1.054 44.067 45.100 0.034 0.000 0.982 461 G HN 0.186 nan 8.290 nan 0.000 0.473 462 L N 0.205 121.436 121.223 0.013 0.000 2.434 462 L HA 0.707 5.047 4.340 -0.000 0.000 0.260 462 L C 0.801 177.671 176.870 -0.000 0.000 0.983 462 L CA -0.011 54.827 54.840 -0.004 0.000 0.820 462 L CB 1.900 43.959 42.059 -0.001 0.000 1.361 462 L HN 2.467 nan 8.230 nan 0.000 0.410 463 G N 1.837 110.630 108.800 -0.013 0.000 2.782 463 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.228 463 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.228 463 G C -1.172 173.737 174.900 0.014 0.000 1.372 463 G CA -0.800 44.300 45.100 0.001 0.000 0.862 463 G HN 0.536 nan 8.290 nan 0.000 0.547 464 R N 0.302 120.836 120.500 0.058 0.000 2.621 464 R HA 0.486 4.826 4.340 -0.000 0.000 0.284 464 R C -0.548 175.885 176.300 0.222 0.000 0.998 464 R CA -0.725 55.437 56.100 0.104 0.000 0.895 464 R CB 1.924 32.238 30.300 0.022 0.000 1.195 464 R HN 0.738 nan 8.270 nan 0.000 0.450 465 E N 0.443 120.820 120.200 0.294 0.000 2.191 465 E HA 0.592 4.942 4.350 -0.000 0.000 0.274 465 E C 0.072 176.946 176.600 0.457 0.000 0.948 465 E CA -0.430 56.190 56.400 0.366 0.000 0.802 465 E CB 1.871 31.727 29.700 0.261 0.000 1.137 465 E HN 0.789 nan 8.360 nan 0.000 0.397 466 G N 2.060 111.257 108.800 0.661 0.000 2.757 466 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.638 466 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.638 466 G C -0.005 175.068 174.900 0.288 0.000 1.344 466 G CA -0.311 45.051 45.100 0.438 0.000 0.855 466 G HN 1.497 nan 8.290 nan 0.000 0.537 467 S N -2.623 113.032 115.700 -0.074 0.000 3.381 467 S HA -0.211 4.259 4.470 -0.000 0.000 0.636 467 S C 1.088 176.025 174.600 0.562 0.000 2.614 467 S CA 2.065 60.338 58.200 0.122 0.000 2.810 467 S CB -1.096 62.140 63.200 0.060 0.000 0.331 467 S HN 2.864 nan 8.310 nan 0.000 1.788 468 H N -0.065 119.240 119.070 0.391 0.000 2.495 468 H HA 0.165 4.721 4.556 -0.000 0.000 0.287 468 H C 1.598 177.025 175.328 0.166 0.000 1.033 468 H CA 1.739 57.913 56.048 0.211 0.000 1.307 468 H CB -0.804 28.948 29.762 -0.017 0.000 1.401 468 H HN 0.594 nan 8.280 nan 0.000 0.555 469 Y N 1.376 121.654 120.300 -0.036 0.000 2.333 469 Y HA -0.022 4.528 4.550 -0.000 0.000 0.290 469 Y C 2.869 178.905 175.900 0.227 0.000 1.144 469 Y CA 1.032 59.184 58.100 0.088 0.000 1.228 469 Y CB -0.720 37.717 38.460 -0.039 0.000 0.985 469 Y HN 0.474 nan 8.280 nan 0.000 0.542 470 G N 0.319 109.415 108.800 0.493 0.000 2.529 470 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.219 470 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.219 470 G C 1.711 176.827 174.900 0.361 0.000 1.177 470 G CA 1.350 46.758 45.100 0.513 0.000 0.773 470 G HN 0.484 nan 8.290 nan 0.000 0.573 471 I N 0.600 121.367 120.570 0.330 0.000 2.830 471 I HA -0.030 4.140 4.170 -0.000 0.000 0.263 471 I C 1.665 177.943 176.117 0.268 0.000 1.230 471 I CA 0.646 62.079 61.300 0.222 0.000 1.480 471 I CB 0.014 38.118 38.000 0.174 0.000 1.095 471 I HN 0.017 nan 8.210 nan 0.000 0.455 472 D N 0.971 121.528 120.400 0.261 0.000 2.182 472 D HA -0.207 4.433 4.640 -0.000 0.000 0.201 472 D C 1.641 178.027 176.300 0.144 0.000 0.986 472 D CA 1.253 55.375 54.000 0.203 0.000 0.847 472 D CB -0.269 40.669 40.800 0.229 0.000 0.942 472 D HN 0.402 nan 8.370 nan 0.000 0.467 473 D N -0.744 119.725 120.400 0.115 0.000 2.269 473 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 473 D C 1.114 177.305 176.300 -0.181 0.000 0.963 473 D CA 0.578 54.531 54.000 -0.078 0.000 0.864 473 D CB 0.029 40.693 40.800 -0.227 0.000 0.936 473 D HN 0.397 nan 8.370 nan 0.000 0.505 474 Y N 0.376 120.692 120.300 0.027 0.000 2.457 474 Y HA 0.093 4.643 4.550 -0.000 0.000 0.263 474 Y C 0.848 176.776 175.900 0.047 0.000 1.164 474 Y CA -0.421 57.688 58.100 0.015 0.000 1.274 474 Y CB 0.608 39.061 38.460 -0.013 0.000 1.097 474 Y HN -0.224 nan 8.280 nan 0.000 0.523 475 V N -2.566 117.451 119.914 0.172 0.000 2.815 475 V HA 0.718 4.838 4.120 -0.000 0.000 0.314 475 V C -0.579 175.577 176.094 0.104 0.000 1.064 475 V CA -1.242 61.144 62.300 0.143 0.000 0.952 475 V CB 1.904 33.807 31.823 0.134 0.000 1.020 475 V HN -0.242 nan 8.190 nan 0.000 0.439 476 V N 4.562 124.539 119.914 0.107 0.000 2.850 476 V HA 0.664 4.784 4.120 -0.000 0.000 0.315 476 V C -0.178 175.968 176.094 0.086 0.000 1.064 476 V CA -0.668 61.684 62.300 0.087 0.000 0.979 476 V CB 1.865 33.742 31.823 0.091 0.000 1.039 476 V HN 1.071 nan 8.190 nan 0.000 0.452 477 I N 2.793 123.409 120.570 0.076 0.000 2.404 477 I HA 0.645 4.815 4.170 -0.000 0.000 0.293 477 I C -0.745 175.424 176.117 0.086 0.000 0.992 477 I CA -0.499 60.847 61.300 0.078 0.000 1.149 477 I CB 1.360 39.404 38.000 0.072 0.000 1.315 477 I HN 0.636 nan 8.210 nan 0.000 0.446 478 K N 6.378 126.831 120.400 0.088 0.000 2.450 478 K HA 0.273 4.593 4.320 -0.000 0.000 0.257 478 K C -1.847 174.831 176.600 0.129 0.000 0.953 478 K CA -0.678 55.663 56.287 0.091 0.000 0.844 478 K CB 1.371 33.903 32.500 0.054 0.000 1.103 478 K HN 0.733 nan 8.250 nan 0.000 0.429 479 Y N 6.062 126.371 120.300 0.015 0.000 2.383 479 Y HA 0.324 4.874 4.550 -0.000 0.000 0.344 479 Y C -1.487 174.418 175.900 0.008 0.000 0.986 479 Y CA -0.768 57.339 58.100 0.011 0.000 1.175 479 Y CB 0.455 38.922 38.460 0.012 0.000 1.152 479 Y HN 0.483 nan 8.280 nan 0.000 0.511 480 L N 7.535 128.651 121.223 -0.179 0.000 2.265 480 L HA 0.361 4.701 4.340 -0.000 0.000 0.289 480 L C -0.551 176.103 176.870 -0.361 0.000 1.033 480 L CA -0.574 54.087 54.840 -0.297 0.000 0.814 480 L CB 1.225 43.222 42.059 -0.104 0.000 1.203 480 L HN 0.750 nan 8.230 nan 0.000 0.423 481 C N 5.263 124.265 119.300 -0.496 0.000 2.225 481 C HA 0.573 5.033 4.460 -0.000 0.000 0.323 481 C C 0.160 175.077 174.990 -0.122 0.000 1.164 481 C CA -0.519 58.335 59.018 -0.274 0.000 1.565 481 C CB -0.164 27.381 27.740 -0.326 0.000 2.124 481 C HN 0.556 nan 8.230 nan 0.000 0.461 482 V N 6.812 126.696 119.914 -0.050 0.000 2.350 482 V HA 0.533 4.653 4.120 -0.000 0.000 0.276 482 V C 0.888 176.974 176.094 -0.014 0.000 1.028 482 V CA -0.350 61.930 62.300 -0.034 0.000 0.860 482 V CB 0.891 32.701 31.823 -0.022 0.000 0.990 482 V HN 1.017 nan 8.190 nan 0.000 0.453 483 A N 4.795 127.605 122.820 -0.018 0.000 2.425 483 A HA 0.610 4.930 4.320 -0.000 0.000 0.249 483 A C -0.005 177.575 177.584 -0.007 0.000 1.084 483 A CA 0.044 52.076 52.037 -0.009 0.000 0.781 483 A CB 0.990 19.984 19.000 -0.011 0.000 1.019 483 A HN 0.873 nan 8.150 nan 0.000 0.490 484 V N 0.000 119.913 119.914 -0.002 0.000 2.409 484 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 484 V CA 0.000 62.298 62.300 -0.002 0.000 1.235 484 V CB 0.000 31.823 31.823 0.001 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556