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 2r0c_1_A DATA FIRST_RESID 2 DATA SEQUENCE NAPIETDVLI LGGGPVGMAL ALDLAHRQVG HLVVEQTDGT ITHPRVGTIG DATA SEQUENCE PRSMELFRRW GVAKQIRTAG WPGDHPLDAA WVTRVGGHEV YRIPLGTADT DATA SEQUENCE RATPEHTPEP DAICPQHWLA PLLAEAVGER LRTRSRLDSF EQRDDHVRAT DATA SEQUENCE ITDLRTGATR AVHARYLVAC DGASSPTRKA LGIDAPPRHR TQVFRNILFR DATA SEQUENCE APELRSLLGE RAALFFFLML SSSLRFPLRA LDGRGLYRLT VGVDDASKST DATA SEQUENCE MDSFELVRRA VAFDTEIEVL SDSEWHLTHR VADSFSAGRV FLTGDAAHTL DATA SEQUENCE SPSGGFGMNT GIGSAADLGW KLAATLRGWA GPGLLATYEE ERRPVAITSL DATA SEQUENCE EEXXXXXXXX XXRELPPGLH DDGPRGERIR AAVAEKLERS GARREFDAPG DATA SEQUENCE IHFGHTYRSS IVCGEXXXXX XXXXWRPSAR PGARAPHAWL TPTTSTLDLF DATA SEQUENCE GRGFVLLSFG TTDGVEAVTR AFADRHVPLE TVTCHAPEIH ALYERAHVLV DATA SEQUENCE RPDGHVAWRG DHLPAELGGL VDKVRGAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.488 175.510 -0.036 0.000 1.280 2 N CA 0.000 53.036 53.050 -0.023 0.000 0.885 2 N CB 0.000 38.474 38.487 -0.021 0.000 1.341 3 A N 1.028 123.820 122.820 -0.047 0.000 2.429 3 A HA 0.713 5.083 4.320 0.083 0.000 0.242 3 A C -2.025 175.494 177.584 -0.108 0.000 1.088 3 A CA -0.595 51.398 52.037 -0.073 0.000 0.784 3 A CB -0.684 18.273 19.000 -0.071 0.000 1.038 3 A HN 0.681 nan 8.150 nan 0.000 0.501 4 P HA 0.250 nan 4.420 nan 0.000 0.271 4 P C -0.731 176.436 177.300 -0.221 0.000 1.216 4 P CA 0.190 63.113 63.100 -0.294 0.000 0.771 4 P CB 0.345 31.595 31.700 -0.750 0.000 0.864 5 I N 2.974 123.462 120.570 -0.136 0.000 2.416 5 I HA 0.115 4.335 4.170 0.083 0.000 0.288 5 I C 0.866 176.948 176.117 -0.058 0.000 1.051 5 I CA 0.000 61.254 61.300 -0.077 0.000 1.375 5 I CB 0.475 38.453 38.000 -0.036 0.000 1.407 5 I HN 0.262 nan 8.210 nan 0.000 0.516 6 E N 4.277 124.448 120.200 -0.048 0.000 2.179 6 E HA 0.556 4.956 4.350 0.083 0.000 0.275 6 E C -0.662 175.937 176.600 -0.001 0.000 0.945 6 E CA -0.584 55.809 56.400 -0.013 0.000 0.792 6 E CB 2.554 32.235 29.700 -0.032 0.000 1.125 6 E HN 0.470 nan 8.360 nan 0.000 0.397 7 T N 1.026 115.592 114.554 0.021 0.000 2.885 7 T HA 0.108 4.508 4.350 0.083 0.000 0.322 7 T C -0.397 174.328 174.700 0.041 0.000 1.387 7 T CA -0.575 61.538 62.100 0.021 0.000 1.041 7 T CB 1.448 70.326 68.868 0.016 0.000 1.287 7 T HN 0.267 nan 8.240 nan 0.000 0.491 8 D N 0.853 121.284 120.400 0.052 0.000 2.123 8 D HA 0.109 4.798 4.640 0.083 0.000 0.200 8 D C 0.526 176.896 176.300 0.117 0.000 0.976 8 D CA 1.337 55.383 54.000 0.077 0.000 0.831 8 D CB 0.250 41.101 40.800 0.086 0.000 0.974 8 D HN 0.309 nan 8.370 nan 0.000 0.469 9 V N 1.306 121.287 119.914 0.112 0.000 2.569 9 V HA 0.264 4.434 4.120 0.083 0.000 0.301 9 V C -0.891 175.257 176.094 0.091 0.000 1.044 9 V CA -1.005 61.360 62.300 0.109 0.000 0.874 9 V CB 2.465 34.324 31.823 0.061 0.000 1.002 9 V HN -0.094 nan 8.190 nan 0.000 0.424 10 L N 6.681 127.945 121.223 0.068 0.000 2.265 10 L HA 0.626 5.016 4.340 0.083 0.000 0.289 10 L C -0.452 176.432 176.870 0.024 0.000 1.033 10 L CA 0.155 55.025 54.840 0.049 0.000 0.814 10 L CB 0.886 42.971 42.059 0.043 0.000 1.203 10 L HN 0.551 nan 8.230 nan 0.000 0.423 11 I N 6.347 126.931 120.570 0.024 0.000 2.304 11 I HA 0.236 4.456 4.170 0.083 0.000 0.291 11 I C -0.303 175.812 176.117 -0.002 0.000 1.018 11 I CA -0.380 60.916 61.300 -0.006 0.000 1.260 11 I CB 1.287 39.279 38.000 -0.014 0.000 1.390 11 I HN 0.491 nan 8.210 nan 0.000 0.475 12 L N 7.609 128.822 121.223 -0.016 0.000 2.261 12 L HA 0.648 5.037 4.340 0.083 0.000 0.289 12 L C 0.192 177.057 176.870 -0.008 0.000 1.059 12 L CA 0.041 54.876 54.840 -0.007 0.000 0.816 12 L CB 0.447 42.496 42.059 -0.017 0.000 1.191 12 L HN 0.886 nan 8.230 nan 0.000 0.431 13 G N 2.766 111.568 108.800 0.003 0.000 3.438 13 G HA2 -0.089 3.920 3.960 0.083 0.000 0.684 13 G HA3 -0.089 3.920 3.960 0.083 0.000 0.684 13 G C 0.008 174.909 174.900 0.002 0.000 1.192 13 G CA -0.396 44.706 45.100 0.003 0.000 1.013 13 G HN 0.965 nan 8.290 nan 0.000 0.530 14 G N 0.785 109.590 108.800 0.009 0.000 3.959 14 G HA2 0.657 4.667 3.960 0.083 0.000 0.298 14 G HA3 0.657 4.667 3.960 0.083 0.000 0.298 14 G C 0.934 175.843 174.900 0.014 0.000 1.211 14 G CA 0.929 46.036 45.100 0.011 0.000 1.001 14 G HN 1.271 nan 8.290 nan 0.000 0.561 15 G N 0.492 109.299 108.800 0.012 0.000 2.553 15 G HA2 0.406 4.416 3.960 0.083 0.000 0.278 15 G HA3 0.406 4.416 3.960 0.083 0.000 0.278 15 G C -0.941 173.977 174.900 0.029 0.000 1.349 15 G CA -0.850 44.260 45.100 0.017 0.000 1.037 15 G HN 0.002 nan 8.290 nan 0.000 0.508 16 P HA -0.106 nan 4.420 nan 0.000 0.216 16 P C 1.995 179.348 177.300 0.089 0.000 1.153 16 P CA 0.793 63.945 63.100 0.087 0.000 0.858 16 P CB 0.071 31.829 31.700 0.096 0.000 0.789 17 V N -0.414 119.530 119.914 0.050 0.000 2.379 17 V HA -0.108 4.061 4.120 0.083 0.000 0.245 17 V C 2.586 178.667 176.094 -0.023 0.000 1.044 17 V CA 2.368 64.683 62.300 0.025 0.000 1.036 17 V CB -1.865 29.966 31.823 0.012 0.000 0.664 17 V HN 0.163 nan 8.190 nan 0.000 0.453 18 G N -0.277 108.508 108.800 -0.025 0.000 2.418 18 G HA2 -0.233 3.776 3.960 0.083 0.000 0.217 18 G HA3 -0.233 3.776 3.960 0.083 0.000 0.217 18 G C 1.517 176.375 174.900 -0.070 0.000 1.158 18 G CA 0.934 46.004 45.100 -0.051 0.000 0.771 18 G HN 0.315 nan 8.290 nan 0.000 0.545 19 M N 1.079 120.658 119.600 -0.034 0.000 2.254 19 M HA 0.152 4.681 4.480 0.083 0.000 0.265 19 M C 2.945 179.177 176.300 -0.114 0.000 1.066 19 M CA 0.961 56.238 55.300 -0.038 0.000 1.123 19 M CB -1.147 31.468 32.600 0.025 0.000 1.388 19 M HN 0.312 nan 8.290 nan 0.000 0.425 20 A N 0.197 122.956 122.820 -0.102 0.000 1.898 20 A HA -0.136 4.234 4.320 0.083 0.000 0.216 20 A C 2.216 179.418 177.584 -0.637 0.000 1.181 20 A CA 1.242 53.093 52.037 -0.310 0.000 0.620 20 A CB -0.830 18.140 19.000 -0.050 0.000 0.819 20 A HN 0.405 nan 8.150 nan 0.000 0.442 21 L N -0.237 120.769 121.223 -0.363 0.000 2.056 21 L HA -0.014 4.376 4.340 0.083 0.000 0.207 21 L C 2.645 179.238 176.870 -0.462 0.000 1.078 21 L CA 2.061 56.680 54.840 -0.369 0.000 0.749 21 L CB -0.795 41.117 42.059 -0.244 0.000 0.901 21 L HN 0.335 nan 8.230 nan 0.000 0.433 22 A N -0.557 122.022 122.820 -0.401 0.000 1.902 22 A HA -0.179 4.191 4.320 0.083 0.000 0.217 22 A C 2.277 179.543 177.584 -0.531 0.000 1.181 22 A CA 1.997 53.739 52.037 -0.492 0.000 0.623 22 A CB -0.869 18.023 19.000 -0.180 0.000 0.818 22 A HN 0.498 nan 8.150 nan 0.000 0.443 23 L N -0.945 119.964 121.223 -0.525 0.000 2.093 23 L HA -0.179 4.211 4.340 0.083 0.000 0.208 23 L C 2.353 178.744 176.870 -0.799 0.000 1.085 23 L CA 1.766 56.265 54.840 -0.569 0.000 0.755 23 L CB -0.491 41.214 42.059 -0.590 0.000 0.904 23 L HN 0.462 nan 8.230 nan 0.000 0.435 24 D N 0.052 119.799 120.400 -1.087 0.000 2.117 24 D HA -0.153 4.536 4.640 0.083 0.000 0.198 24 D C 2.328 178.523 176.300 -0.176 0.000 0.982 24 D CA 0.959 54.624 54.000 -0.557 0.000 0.828 24 D CB 0.103 40.749 40.800 -0.256 0.000 0.967 24 D HN 0.160 nan 8.370 nan 0.000 0.464 25 L N 0.020 121.051 121.223 -0.319 0.000 2.093 25 L HA -0.068 4.321 4.340 0.083 0.000 0.208 25 L C 2.584 179.395 176.870 -0.098 0.000 1.085 25 L CA 0.991 55.688 54.840 -0.239 0.000 0.755 25 L CB -0.587 41.206 42.059 -0.443 0.000 0.904 25 L HN 0.079 nan 8.230 nan 0.000 0.435 26 A N -0.227 122.521 122.820 -0.120 0.000 1.877 26 A HA -0.308 4.062 4.320 0.083 0.000 0.216 26 A C 2.143 179.806 177.584 0.131 0.000 1.186 26 A CA 2.006 54.113 52.037 0.116 0.000 0.620 26 A CB -0.899 18.173 19.000 0.119 0.000 0.822 26 A HN 0.501 nan 8.150 nan 0.000 0.443 27 H N -0.107 118.982 119.070 0.032 0.000 2.422 27 H HA -0.010 4.582 4.556 0.061 0.000 0.298 27 H C 1.747 177.147 175.328 0.121 0.000 1.098 27 H CA 1.860 57.981 56.048 0.121 0.000 1.315 27 H CB -0.065 29.842 29.762 0.241 0.000 1.382 27 H HN 0.437 nan 8.280 nan 0.000 0.523 28 R N 0.037 120.564 120.500 0.045 0.000 2.359 28 R HA 0.051 4.441 4.340 0.083 0.000 0.231 28 R C -0.005 176.317 176.300 0.037 0.000 0.913 28 R CA 0.273 56.380 56.100 0.012 0.000 1.075 28 R CB 0.538 30.888 30.300 0.084 0.000 1.087 28 R HN 0.255 nan 8.270 nan 0.000 0.515 29 Q N -0.548 119.281 119.800 0.050 0.000 2.475 29 Q HA -0.144 4.246 4.340 0.083 0.000 0.280 29 Q C -0.823 175.225 176.000 0.081 0.000 1.234 29 Q CA 0.738 56.581 55.803 0.067 0.000 0.873 29 Q CB -2.213 26.555 28.738 0.050 0.000 1.256 29 Q HN 0.143 nan 8.270 nan 0.000 0.475 30 V N -0.065 119.909 119.914 0.100 0.000 2.439 30 V HA 0.620 4.789 4.120 0.083 0.000 0.282 30 V C 1.270 177.478 176.094 0.190 0.000 1.039 30 V CA -0.073 62.290 62.300 0.105 0.000 0.913 30 V CB 1.814 33.672 31.823 0.057 0.000 0.983 30 V HN 0.388 nan 8.190 nan 0.000 0.460 31 G N 4.665 113.536 108.800 0.118 0.000 2.365 31 G HA2 0.468 4.477 3.960 0.083 0.000 0.249 31 G HA3 0.468 4.477 3.960 0.083 0.000 0.249 31 G C -0.264 174.708 174.900 0.119 0.000 1.288 31 G CA 0.034 45.176 45.100 0.070 0.000 0.887 31 G HN 0.986 nan 8.290 nan 0.000 0.524 32 H N 0.234 119.301 119.070 -0.006 0.000 2.960 32 H HA 0.696 5.299 4.556 0.078 0.000 0.323 32 H C -2.015 173.307 175.328 -0.010 0.000 1.326 32 H CA -1.160 54.881 56.048 -0.012 0.000 1.124 32 H CB 1.819 31.562 29.762 -0.032 0.000 1.853 32 H HN 0.571 nan 8.280 nan 0.000 0.536 33 L N 1.378 122.632 121.223 0.051 0.000 2.482 33 L HA 0.508 4.897 4.340 0.083 0.000 0.263 33 L C -1.610 175.303 176.870 0.071 0.000 0.957 33 L CA -0.914 53.928 54.840 0.003 0.000 0.836 33 L CB 2.089 44.142 42.059 -0.010 0.000 1.324 33 L HN 0.492 nan 8.230 nan 0.000 0.406 34 V N 4.516 124.468 119.914 0.062 0.000 2.417 34 V HA 0.470 4.640 4.120 0.083 0.000 0.291 34 V C -0.271 175.841 176.094 0.030 0.000 1.024 34 V CA -0.663 61.668 62.300 0.052 0.000 0.861 34 V CB 1.819 33.676 31.823 0.056 0.000 0.985 34 V HN 0.499 nan 8.190 nan 0.000 0.436 35 V N 1.611 121.541 119.914 0.026 0.000 2.417 35 V HA 0.875 5.045 4.120 0.083 0.000 0.291 35 V C -0.589 175.518 176.094 0.022 0.000 1.024 35 V CA -0.604 61.710 62.300 0.024 0.000 0.861 35 V CB 1.565 33.404 31.823 0.027 0.000 0.985 35 V HN 0.881 nan 8.190 nan 0.000 0.436 36 E N 3.750 123.963 120.200 0.021 0.000 2.218 36 E HA 0.345 4.745 4.350 0.083 0.000 0.263 36 E C 0.808 177.421 176.600 0.021 0.000 0.879 36 E CA -0.365 56.047 56.400 0.020 0.000 0.762 36 E CB 2.253 31.965 29.700 0.019 0.000 1.166 36 E HN 0.839 nan 8.360 nan 0.000 0.415 37 Q N 2.328 122.141 119.800 0.022 0.000 2.167 37 Q HA -0.044 4.345 4.340 0.083 0.000 0.202 37 Q C 0.645 176.657 176.000 0.020 0.000 0.970 37 Q CA 1.335 57.151 55.803 0.022 0.000 0.855 37 Q CB -0.432 28.320 28.738 0.024 0.000 0.911 37 Q HN 0.580 nan 8.270 nan 0.000 0.438 38 T N 0.016 114.582 114.554 0.020 0.000 2.771 38 T HA 0.097 4.497 4.350 0.083 0.000 0.290 38 T C 0.358 175.070 174.700 0.020 0.000 1.005 38 T CA -0.106 62.006 62.100 0.020 0.000 0.944 38 T CB 0.766 69.646 68.868 0.020 0.000 1.147 38 T HN 0.347 nan 8.240 nan 0.000 0.534 39 D N -2.236 118.176 120.400 0.021 0.000 2.342 39 D HA 0.289 4.979 4.640 0.083 0.000 0.221 39 D C 1.522 177.836 176.300 0.024 0.000 1.101 39 D CA 0.221 54.234 54.000 0.021 0.000 0.837 39 D CB -0.641 40.172 40.800 0.021 0.000 0.938 39 D HN 1.084 nan 8.370 nan 0.000 0.508 40 G N -0.466 108.348 108.800 0.024 0.000 2.205 40 G HA2 -0.305 3.705 3.960 0.083 0.000 0.261 40 G HA3 -0.305 3.705 3.960 0.083 0.000 0.261 40 G C 0.569 175.489 174.900 0.033 0.000 0.980 40 G CA 0.489 45.605 45.100 0.027 0.000 0.632 40 G HN 0.473 nan 8.290 nan 0.000 0.533 41 T N 1.975 116.549 114.554 0.033 0.000 2.926 41 T HA 0.515 4.915 4.350 0.083 0.000 0.307 41 T C 0.376 175.100 174.700 0.040 0.000 1.059 41 T CA 0.320 62.444 62.100 0.040 0.000 1.122 41 T CB 1.134 70.023 68.868 0.036 0.000 0.972 41 T HN 0.221 nan 8.240 nan 0.000 0.545 42 I N 3.431 124.032 120.570 0.051 0.000 2.418 42 I HA 0.239 4.458 4.170 0.083 0.000 0.287 42 I C 1.420 177.559 176.117 0.035 0.000 1.008 42 I CA -0.475 60.853 61.300 0.048 0.000 1.104 42 I CB 1.369 39.410 38.000 0.069 0.000 1.264 42 I HN 0.848 nan 8.210 nan 0.000 0.438 43 T N 0.865 115.438 114.554 0.032 0.000 2.990 43 T HA 0.151 4.551 4.350 0.083 0.000 0.250 43 T C 0.493 175.210 174.700 0.029 0.000 1.041 43 T CA 0.395 62.507 62.100 0.019 0.000 1.010 43 T CB -0.009 68.881 68.868 0.036 0.000 1.003 43 T HN 0.644 nan 8.240 nan 0.000 0.499 44 H N 1.379 120.405 119.070 -0.073 0.000 3.162 44 H HA 0.420 5.025 4.556 0.082 0.000 0.309 44 H C -3.142 172.124 175.328 -0.104 0.000 1.156 44 H CA -1.979 54.014 56.048 -0.092 0.000 1.586 44 H CB 1.275 31.005 29.762 -0.053 0.000 1.740 44 H HN 0.039 nan 8.280 nan 0.000 0.525 45 P HA -0.014 nan 4.420 nan 0.000 0.260 45 P C 0.139 177.444 177.300 0.008 0.000 1.172 45 P CA 0.307 63.419 63.100 0.020 0.000 0.760 45 P CB 0.764 32.439 31.700 -0.042 0.000 0.773 46 R N 1.794 122.241 120.500 -0.088 0.000 2.279 46 R HA 0.177 4.567 4.340 0.083 0.000 0.195 46 R C 0.584 176.777 176.300 -0.179 0.000 0.905 46 R CA 0.216 56.192 56.100 -0.206 0.000 1.044 46 R CB 0.306 30.431 30.300 -0.293 0.000 1.056 46 R HN 0.400 nan 8.270 nan 0.000 0.535 47 V N -4.116 115.738 119.914 -0.100 0.000 3.074 47 V HA 0.906 5.076 4.120 0.083 0.000 0.314 47 V C 0.160 176.226 176.094 -0.047 0.000 1.117 47 V CA -0.332 61.928 62.300 -0.066 0.000 1.014 47 V CB 1.854 33.654 31.823 -0.037 0.000 1.057 47 V HN 0.159 nan 8.190 nan 0.000 0.438 48 G N 0.100 108.879 108.800 -0.035 0.000 4.109 48 G HA2 0.115 4.124 3.960 0.083 0.000 0.191 48 G HA3 0.115 4.124 3.960 0.083 0.000 0.191 48 G C 0.486 175.349 174.900 -0.062 0.000 1.163 48 G CA 0.565 45.628 45.100 -0.061 0.000 0.953 48 G HN 1.075 nan 8.290 nan 0.000 0.502 49 T N 2.557 117.097 114.554 -0.023 0.000 2.799 49 T HA 0.500 4.899 4.350 0.083 0.000 0.296 49 T C -0.338 174.372 174.700 0.017 0.000 0.947 49 T CA 0.017 62.113 62.100 -0.007 0.000 1.141 49 T CB -0.078 68.844 68.868 0.089 0.000 0.891 49 T HN 0.060 nan 8.240 nan 0.000 0.533 50 I N 5.539 126.108 120.570 -0.002 0.000 2.382 50 I HA 0.354 4.573 4.170 0.083 0.000 0.286 50 I C 1.243 177.350 176.117 -0.016 0.000 1.002 50 I CA -0.809 60.518 61.300 0.045 0.000 1.135 50 I CB 0.604 38.663 38.000 0.099 0.000 1.288 50 I HN 0.778 nan 8.210 nan 0.000 0.448 51 G N 7.702 116.476 108.800 -0.043 0.000 2.664 51 G HA2 0.258 4.268 3.960 0.083 0.000 0.242 51 G HA3 0.258 4.268 3.960 0.083 0.000 0.242 51 G C -1.281 173.459 174.900 -0.266 0.000 1.225 51 G CA -0.627 44.323 45.100 -0.249 0.000 0.849 51 G HN 0.467 nan 8.290 nan 0.000 0.581 52 P HA -0.141 nan 4.420 nan 0.000 0.218 52 P C 1.595 178.877 177.300 -0.031 0.000 1.149 52 P CA 0.751 63.750 63.100 -0.168 0.000 0.817 52 P CB 0.272 31.919 31.700 -0.089 0.000 0.785 53 R N 0.789 121.199 120.500 -0.149 0.000 2.073 53 R HA 0.008 4.397 4.340 0.083 0.000 0.229 53 R C 2.348 178.594 176.300 -0.091 0.000 1.120 53 R CA 1.857 57.961 56.100 0.006 0.000 0.967 53 R CB -1.509 28.760 30.300 -0.052 0.000 0.862 53 R HN 0.010 nan 8.270 nan 0.000 0.436 54 S N 0.272 115.898 115.700 -0.124 0.000 2.382 54 S HA -0.103 4.417 4.470 0.083 0.000 0.228 54 S C 1.742 176.228 174.600 -0.190 0.000 1.027 54 S CA 1.444 59.521 58.200 -0.205 0.000 0.991 54 S CB -0.159 63.005 63.200 -0.060 0.000 0.823 54 S HN 0.249 nan 8.310 nan 0.000 0.469 55 M N 1.324 120.934 119.600 0.017 0.000 2.229 55 M HA -0.014 4.516 4.480 0.083 0.000 0.264 55 M C 1.922 178.216 176.300 -0.010 0.000 1.063 55 M CA 1.184 56.559 55.300 0.125 0.000 1.114 55 M CB -1.257 31.398 32.600 0.092 0.000 1.387 55 M HN 0.378 nan 8.290 nan 0.000 0.420 56 E N 0.177 120.330 120.200 -0.079 0.000 2.153 56 E HA -0.133 4.266 4.350 0.083 0.000 0.194 56 E C 2.144 178.566 176.600 -0.296 0.000 0.988 56 E CA 0.888 57.210 56.400 -0.129 0.000 0.811 56 E CB -0.099 29.558 29.700 -0.072 0.000 0.746 56 E HN 0.458 nan 8.360 nan 0.000 0.466 57 L N -0.281 120.652 121.223 -0.484 0.000 2.072 57 L HA -0.107 4.283 4.340 0.083 0.000 0.205 57 L C 2.143 178.316 176.870 -1.161 0.000 1.079 57 L CA 0.718 54.940 54.840 -1.030 0.000 0.752 57 L CB -0.281 41.034 42.059 -1.240 0.000 0.906 57 L HN 0.094 nan 8.230 nan 0.000 0.436 58 F N 0.148 119.829 119.950 -0.448 0.000 2.269 58 F HA -0.141 4.428 4.527 0.069 0.000 0.301 58 F C 2.728 178.463 175.800 -0.109 0.000 1.082 58 F CA 1.031 58.971 58.000 -0.100 0.000 1.360 58 F CB -0.593 38.426 39.000 0.032 0.000 1.041 58 F HN 0.002 nan 8.300 nan 0.000 0.512 59 R N 0.695 121.182 120.500 -0.022 0.000 2.070 59 R HA -0.170 4.220 4.340 0.083 0.000 0.233 59 R C 2.508 178.746 176.300 -0.104 0.000 1.137 59 R CA 1.561 57.641 56.100 -0.032 0.000 0.945 59 R CB -0.343 29.921 30.300 -0.060 0.000 0.845 59 R HN 0.168 nan 8.270 nan 0.000 0.430 60 R N -0.282 120.046 120.500 -0.286 0.000 2.091 60 R HA -0.158 4.232 4.340 0.083 0.000 0.238 60 R C 1.283 177.364 176.300 -0.365 0.000 1.136 60 R CA 1.755 57.626 56.100 -0.382 0.000 0.959 60 R CB -0.206 29.751 30.300 -0.572 0.000 0.856 60 R HN 0.383 nan 8.270 nan 0.000 0.437 61 W N -0.122 121.064 121.300 -0.190 0.000 3.180 61 W HA 0.307 5.000 4.660 0.054 0.000 0.254 61 W C 1.020 177.537 176.519 -0.004 0.000 1.318 61 W CA 0.686 57.952 57.345 -0.131 0.000 1.608 61 W CB -0.458 29.001 29.460 -0.001 0.000 1.124 61 W HN 0.489 nan 8.180 nan 0.000 0.694 62 G N 0.666 109.572 108.800 0.177 0.000 2.147 62 G HA2 -0.275 3.735 3.960 0.083 0.000 0.244 62 G HA3 -0.275 3.735 3.960 0.083 0.000 0.244 62 G C 0.452 175.436 174.900 0.141 0.000 1.005 62 G CA 0.529 45.715 45.100 0.143 0.000 0.713 62 G HN 0.565 nan 8.290 nan 0.000 0.515 63 V N -4.230 115.791 119.914 0.179 0.000 3.330 63 V HA 0.753 4.923 4.120 0.083 0.000 0.309 63 V C 2.103 178.227 176.094 0.051 0.000 1.481 63 V CA 0.993 63.358 62.300 0.108 0.000 1.068 63 V CB -0.025 31.864 31.823 0.110 0.000 0.935 63 V HN 1.201 nan 8.190 nan 0.000 0.453 64 A N 1.229 124.108 122.820 0.098 0.000 1.933 64 A HA -0.084 4.286 4.320 0.083 0.000 0.218 64 A C 2.241 179.839 177.584 0.023 0.000 1.175 64 A CA 1.913 53.992 52.037 0.071 0.000 0.628 64 A CB -0.415 18.639 19.000 0.089 0.000 0.814 64 A HN 0.421 nan 8.150 nan 0.000 0.444 65 K N 0.112 120.527 120.400 0.025 0.000 2.002 65 K HA -0.177 4.193 4.320 0.083 0.000 0.209 65 K C 2.295 178.886 176.600 -0.016 0.000 1.048 65 K CA 1.656 57.949 56.287 0.010 0.000 0.930 65 K CB -0.552 31.957 32.500 0.015 0.000 0.714 65 K HN 0.816 nan 8.250 nan 0.000 0.438 66 Q N 0.562 120.347 119.800 -0.024 0.000 2.170 66 Q HA -0.103 4.287 4.340 0.083 0.000 0.203 66 Q C 2.252 178.207 176.000 -0.074 0.000 0.976 66 Q CA 1.234 57.006 55.803 -0.051 0.000 0.858 66 Q CB -0.568 28.142 28.738 -0.046 0.000 0.907 66 Q HN 0.362 nan 8.270 nan 0.000 0.433 67 I N 0.769 121.289 120.570 -0.082 0.000 2.202 67 I HA -0.202 4.017 4.170 0.083 0.000 0.242 67 I C 2.864 178.956 176.117 -0.041 0.000 1.091 67 I CA 1.046 62.287 61.300 -0.099 0.000 1.368 67 I CB -0.229 37.660 38.000 -0.184 0.000 1.058 67 I HN 0.138 nan 8.210 nan 0.000 0.410 68 R N 0.338 120.824 120.500 -0.022 0.000 2.148 68 R HA -0.130 4.260 4.340 0.083 0.000 0.227 68 R C 1.756 178.061 176.300 0.009 0.000 1.103 68 R CA 1.781 57.888 56.100 0.012 0.000 0.983 68 R CB -0.082 30.231 30.300 0.021 0.000 0.874 68 R HN 0.454 nan 8.270 nan 0.000 0.451 69 T N -3.752 110.779 114.554 -0.037 0.000 3.186 69 T HA 0.297 4.697 4.350 0.083 0.000 0.257 69 T C 1.276 175.873 174.700 -0.171 0.000 1.029 69 T CA 0.258 62.312 62.100 -0.076 0.000 0.916 69 T CB 0.997 69.822 68.868 -0.071 0.000 1.041 69 T HN 0.139 nan 8.240 nan 0.000 0.562 70 A N 0.950 123.652 122.820 -0.195 0.000 2.172 70 A HA 0.535 4.905 4.320 0.083 0.000 0.216 70 A C 2.034 179.055 177.584 -0.938 0.000 1.154 70 A CA 0.978 52.769 52.037 -0.410 0.000 0.701 70 A CB -0.800 18.077 19.000 -0.205 0.000 0.789 70 A HN 1.174 nan 8.150 nan 0.000 0.465 71 G N -3.484 104.911 108.800 -0.676 0.000 2.977 71 G HA2 -0.141 3.869 3.960 0.083 0.000 0.211 71 G HA3 -0.141 3.869 3.960 0.083 0.000 0.211 71 G C 0.032 174.811 174.900 -0.202 0.000 0.994 71 G CA -0.111 44.478 45.100 -0.851 0.000 0.795 71 G HN 0.499 nan 8.290 nan 0.000 0.518 72 W N 3.334 124.641 121.300 0.011 0.000 2.322 72 W HA 0.462 5.170 4.660 0.080 0.000 0.328 72 W C -2.381 174.156 176.519 0.029 0.000 1.395 72 W CA -1.082 56.350 57.345 0.144 0.000 1.267 72 W CB 0.603 30.131 29.460 0.113 0.000 1.259 72 W HN 0.043 nan 8.180 nan 0.000 0.560 73 P HA 0.068 nan 4.420 nan 0.000 0.266 73 P C 0.886 178.001 177.300 -0.309 0.000 1.215 73 P CA 0.404 63.230 63.100 -0.456 0.000 0.763 73 P CB 0.682 32.117 31.700 -0.443 0.000 0.806 74 G N 3.080 111.826 108.800 -0.089 0.000 2.470 74 G HA2 -0.221 3.789 3.960 0.083 0.000 0.220 74 G HA3 -0.221 3.789 3.960 0.083 0.000 0.220 74 G C 0.721 175.632 174.900 0.018 0.000 1.121 74 G CA 0.569 45.681 45.100 0.020 0.000 0.766 74 G HN 0.561 nan 8.290 nan 0.000 0.553 75 D N -1.484 118.893 120.400 -0.038 0.000 2.363 75 D HA 0.016 4.705 4.640 0.083 0.000 0.214 75 D C 0.470 176.746 176.300 -0.040 0.000 1.093 75 D CA -0.593 53.389 54.000 -0.029 0.000 0.837 75 D CB -0.560 40.211 40.800 -0.050 0.000 0.948 75 D HN 0.231 nan 8.370 nan 0.000 0.507 76 H N 1.491 120.462 119.070 -0.164 0.000 2.646 76 H HA 0.282 4.888 4.556 0.083 0.000 0.325 76 H C -2.385 172.951 175.328 0.014 0.000 1.075 76 H CA -1.706 54.236 56.048 -0.177 0.000 1.421 76 H CB 1.051 30.485 29.762 -0.547 0.000 1.461 76 H HN -0.099 nan 8.280 nan 0.000 0.525 77 P HA -0.016 nan 4.420 nan 0.000 0.266 77 P C 0.390 177.852 177.300 0.271 0.000 1.195 77 P CA 0.249 63.415 63.100 0.110 0.000 0.768 77 P CB 0.712 32.394 31.700 -0.030 0.000 0.838 78 L N 0.866 122.164 121.223 0.125 0.000 2.728 78 L HA 0.171 4.561 4.340 0.083 0.000 0.238 78 L C 0.244 177.043 176.870 -0.119 0.000 1.143 78 L CA -0.161 54.695 54.840 0.026 0.000 0.937 78 L CB -0.259 41.815 42.059 0.024 0.000 1.225 78 L HN 0.290 nan 8.230 nan 0.000 0.507 79 D N 1.607 121.939 120.400 -0.114 0.000 2.390 79 D HA 0.274 4.964 4.640 0.083 0.000 0.236 79 D C 0.297 176.422 176.300 -0.292 0.000 1.189 79 D CA 0.353 54.239 54.000 -0.190 0.000 0.887 79 D CB 1.028 41.736 40.800 -0.153 0.000 1.198 79 D HN 0.108 nan 8.370 nan 0.000 0.444 80 A N 0.207 122.827 122.820 -0.333 0.000 2.331 80 A HA 0.734 5.103 4.320 0.083 0.000 0.320 80 A C -0.868 176.579 177.584 -0.227 0.000 1.138 80 A CA -0.539 51.287 52.037 -0.351 0.000 0.790 80 A CB 1.284 19.838 19.000 -0.744 0.000 1.206 80 A HN 0.557 nan 8.150 nan 0.000 0.470 81 A N 2.271 124.951 122.820 -0.233 0.000 2.427 81 A HA 0.633 5.002 4.320 0.083 0.000 0.298 81 A C -1.140 176.543 177.584 0.167 0.000 1.036 81 A CA -0.342 51.731 52.037 0.059 0.000 0.701 81 A CB 0.879 19.912 19.000 0.055 0.000 1.250 81 A HN 0.834 nan 8.150 nan 0.000 0.412 82 W N 3.289 124.740 121.300 0.251 0.000 2.332 82 W HA 0.484 5.194 4.660 0.083 0.000 0.306 82 W C -0.201 176.471 176.519 0.256 0.000 1.149 82 W CA -0.161 57.375 57.345 0.319 0.000 1.271 82 W CB 1.691 31.326 29.460 0.293 0.000 1.243 82 W HN 0.765 nan 8.180 nan 0.000 0.459 83 V N 0.378 120.500 119.914 0.347 0.000 3.078 83 V HA 0.473 4.643 4.120 0.083 0.000 0.311 83 V C 0.732 176.846 176.094 0.034 0.000 1.138 83 V CA -0.648 61.763 62.300 0.184 0.000 1.007 83 V CB 1.575 33.474 31.823 0.127 0.000 1.045 83 V HN 0.573 nan 8.190 nan 0.000 0.432 84 T N -1.170 113.332 114.554 -0.086 0.000 3.023 84 T HA 0.248 4.647 4.350 0.083 0.000 0.266 84 T C 0.719 175.224 174.700 -0.324 0.000 1.093 84 T CA 0.993 62.883 62.100 -0.348 0.000 1.129 84 T CB -0.124 68.346 68.868 -0.663 0.000 0.899 84 T HN 0.905 nan 8.240 nan 0.000 0.491 85 R N -0.263 120.091 120.500 -0.244 0.000 2.725 85 R HA 0.401 4.790 4.340 0.083 0.000 0.254 85 R C -1.967 174.144 176.300 -0.315 0.000 1.076 85 R CA -0.635 55.307 56.100 -0.263 0.000 0.940 85 R CB 1.845 31.990 30.300 -0.258 0.000 1.260 85 R HN 0.065 nan 8.270 nan 0.000 0.466 86 V N 3.757 123.431 119.914 -0.400 0.000 2.425 86 V HA 0.262 4.431 4.120 0.083 0.000 0.276 86 V C 1.353 177.193 176.094 -0.423 0.000 1.017 86 V CA 1.762 63.708 62.300 -0.591 0.000 1.062 86 V CB 0.572 31.984 31.823 -0.684 0.000 0.997 86 V HN 1.120 nan 8.190 nan 0.000 0.476 87 G N 3.627 112.225 108.800 -0.336 0.000 2.179 87 G HA2 -0.120 3.890 3.960 0.083 0.000 0.220 87 G HA3 -0.120 3.890 3.960 0.083 0.000 0.220 87 G C 0.443 175.054 174.900 -0.482 0.000 0.990 87 G CA -0.048 44.788 45.100 -0.441 0.000 0.646 87 G HN 1.218 nan 8.290 nan 0.000 0.517 88 G N -1.142 107.435 108.800 -0.371 0.000 2.828 88 G HA2 0.564 4.574 3.960 0.083 0.000 0.244 88 G HA3 0.564 4.574 3.960 0.083 0.000 0.244 88 G C -0.231 174.509 174.900 -0.267 0.000 1.365 88 G CA -0.654 44.218 45.100 -0.380 0.000 1.041 88 G HN 0.332 nan 8.290 nan 0.000 0.560 89 H N 1.032 120.039 119.070 -0.105 0.000 3.034 89 H HA 0.094 4.700 4.556 0.083 0.000 0.324 89 H C 0.185 175.506 175.328 -0.011 0.000 1.015 89 H CA 0.687 56.707 56.048 -0.047 0.000 1.429 89 H CB 0.505 30.240 29.762 -0.044 0.000 1.429 89 H HN 0.388 nan 8.280 nan 0.000 0.585 90 E N 2.106 122.409 120.200 0.171 0.000 2.231 90 E HA 0.174 4.573 4.350 0.083 0.000 0.277 90 E C 0.443 177.160 176.600 0.195 0.000 0.999 90 E CA -0.633 55.876 56.400 0.181 0.000 0.827 90 E CB 2.294 32.102 29.700 0.180 0.000 1.101 90 E HN 0.277 nan 8.360 nan 0.000 0.393 91 V N 1.789 121.852 119.914 0.247 0.000 2.690 91 V HA 0.027 4.197 4.120 0.083 0.000 0.240 91 V C -0.396 175.884 176.094 0.311 0.000 1.078 91 V CA 0.615 63.060 62.300 0.241 0.000 1.102 91 V CB 0.195 32.168 31.823 0.251 0.000 0.800 91 V HN 0.588 nan 8.190 nan 0.000 0.479 92 Y N 0.909 121.343 120.300 0.223 0.000 2.441 92 Y HA 0.657 5.257 4.550 0.083 0.000 0.334 92 Y C -0.607 175.493 175.900 0.333 0.000 1.061 92 Y CA -1.582 56.623 58.100 0.173 0.000 1.032 92 Y CB 1.291 39.730 38.460 -0.036 0.000 1.266 92 Y HN 0.108 nan 8.280 nan 0.000 0.441 93 R N 7.120 127.470 120.500 -0.249 0.000 2.561 93 R HA 0.663 5.053 4.340 0.083 0.000 0.297 93 R C -1.833 174.213 176.300 -0.422 0.000 0.969 93 R CA -0.630 55.351 56.100 -0.198 0.000 0.879 93 R CB 1.092 31.367 30.300 -0.041 0.000 1.178 93 R HN 0.797 nan 8.270 nan 0.000 0.445 94 I N 6.880 127.271 120.570 -0.298 0.000 2.307 94 I HA 0.302 4.522 4.170 0.083 0.000 0.287 94 I C -1.906 174.125 176.117 -0.144 0.000 1.054 94 I CA -2.309 58.852 61.300 -0.233 0.000 1.218 94 I CB 1.648 39.564 38.000 -0.140 0.000 1.398 94 I HN 0.386 nan 8.210 nan 0.000 0.475 95 P HA 0.098 nan 4.420 nan 0.000 0.271 95 P C -0.111 177.172 177.300 -0.028 0.000 1.226 95 P CA 0.094 63.163 63.100 -0.052 0.000 0.765 95 P CB 1.278 32.963 31.700 -0.025 0.000 0.835 96 L N 2.482 123.688 121.223 -0.029 0.000 3.229 96 L HA 0.306 4.696 4.340 0.083 0.000 0.286 96 L C 1.376 178.261 176.870 0.024 0.000 1.239 96 L CA -0.094 54.748 54.840 0.003 0.000 1.035 96 L CB 0.085 42.135 42.059 -0.016 0.000 1.408 96 L HN 0.636 nan 8.230 nan 0.000 0.593 97 G N 1.364 110.176 108.800 0.020 0.000 2.575 97 G HA2 -0.288 3.722 3.960 0.083 0.000 0.267 97 G HA3 -0.288 3.722 3.960 0.083 0.000 0.267 97 G C 0.003 174.938 174.900 0.059 0.000 1.264 97 G CA 0.112 45.232 45.100 0.035 0.000 0.935 97 G HN 0.364 nan 8.290 nan 0.000 0.568 98 T N -3.771 110.826 114.554 0.072 0.000 2.901 98 T HA 0.835 5.235 4.350 0.083 0.000 0.293 98 T C 1.427 176.201 174.700 0.122 0.000 1.084 98 T CA 0.576 62.745 62.100 0.115 0.000 1.008 98 T CB 1.569 70.487 68.868 0.083 0.000 1.170 98 T HN 2.215 nan 8.240 nan 0.000 0.509 99 A N 0.688 123.618 122.820 0.182 0.000 1.940 99 A HA -0.065 4.305 4.320 0.083 0.000 0.219 99 A C 1.787 179.430 177.584 0.098 0.000 1.176 99 A CA 1.886 54.017 52.037 0.158 0.000 0.631 99 A CB -0.994 18.152 19.000 0.243 0.000 0.814 99 A HN 0.874 nan 8.150 nan 0.000 0.446 100 D N -1.162 119.285 120.400 0.079 0.000 2.289 100 D HA -0.040 4.649 4.640 0.083 0.000 0.207 100 D C 1.852 178.173 176.300 0.036 0.000 0.966 100 D CA 1.711 55.738 54.000 0.046 0.000 0.868 100 D CB -0.145 40.672 40.800 0.028 0.000 0.943 100 D HN 0.652 nan 8.370 nan 0.000 0.514 101 T N -2.641 111.937 114.554 0.041 0.000 3.010 101 T HA 0.126 4.526 4.350 0.083 0.000 0.257 101 T C 0.978 175.700 174.700 0.037 0.000 1.020 101 T CA -0.497 61.621 62.100 0.032 0.000 0.938 101 T CB 0.713 69.596 68.868 0.026 0.000 1.049 101 T HN -0.130 nan 8.240 nan 0.000 0.522 102 R N 1.868 122.396 120.500 0.048 0.000 2.522 102 R HA 0.511 4.901 4.340 0.083 0.000 0.284 102 R C 0.215 176.543 176.300 0.047 0.000 1.032 102 R CA -0.041 56.090 56.100 0.051 0.000 1.049 102 R CB 0.110 30.446 30.300 0.061 0.000 0.956 102 R HN 0.398 nan 8.270 nan 0.000 0.422 103 A N 3.960 126.807 122.820 0.046 0.000 2.511 103 A HA 0.096 4.466 4.320 0.083 0.000 0.242 103 A C -0.063 177.553 177.584 0.054 0.000 1.069 103 A CA -0.055 52.008 52.037 0.044 0.000 0.763 103 A CB 0.230 19.255 19.000 0.042 0.000 1.001 103 A HN 0.829 nan 8.150 nan 0.000 0.498 104 T N 5.399 119.986 114.554 0.056 0.000 2.871 104 T HA 0.285 4.685 4.350 0.083 0.000 0.296 104 T C -1.784 172.967 174.700 0.084 0.000 0.998 104 T CA -0.078 62.070 62.100 0.080 0.000 1.162 104 T CB -0.235 68.687 68.868 0.091 0.000 0.947 104 T HN 0.650 nan 8.240 nan 0.000 0.536 105 P HA 0.133 nan 4.420 nan 0.000 0.271 105 P C 0.556 177.882 177.300 0.043 0.000 1.216 105 P CA -0.285 62.850 63.100 0.058 0.000 0.776 105 P CB 1.115 32.862 31.700 0.079 0.000 0.881 106 E N 1.700 121.844 120.200 -0.092 0.000 2.170 106 E HA -0.146 4.254 4.350 0.083 0.000 0.191 106 E C 0.737 177.304 176.600 -0.055 0.000 0.981 106 E CA 0.535 56.863 56.400 -0.121 0.000 0.830 106 E CB 0.056 29.577 29.700 -0.298 0.000 0.775 106 E HN 0.494 nan 8.360 nan 0.000 0.470 107 H N -0.709 118.444 119.070 0.139 0.000 2.539 107 H HA 0.193 4.798 4.556 0.082 0.000 0.269 107 H C 0.064 175.299 175.328 -0.155 0.000 0.980 107 H CA 0.656 56.743 56.048 0.064 0.000 1.152 107 H CB 0.678 30.525 29.762 0.142 0.000 1.407 107 H HN 0.004 nan 8.280 nan 0.000 0.564 108 T N 0.831 115.284 114.554 -0.169 0.000 2.942 108 T HA 0.198 4.598 4.350 0.083 0.000 0.327 108 T C -2.336 171.939 174.700 -0.709 0.000 1.360 108 T CA -1.442 60.352 62.100 -0.509 0.000 1.055 108 T CB 2.510 71.261 68.868 -0.194 0.000 1.261 108 T HN -0.131 nan 8.240 nan 0.000 0.485 109 P HA 0.270 nan 4.420 nan 0.000 0.251 109 P C -0.291 176.948 177.300 -0.103 0.000 1.223 109 P CA 0.282 63.070 63.100 -0.520 0.000 0.796 109 P CB 0.488 31.762 31.700 -0.710 0.000 1.068 110 E N 1.639 121.777 120.200 -0.102 0.000 2.402 110 E HA 0.299 4.698 4.350 0.083 0.000 0.244 110 E C -2.485 174.136 176.600 0.036 0.000 0.945 110 E CA -2.112 54.287 56.400 -0.001 0.000 0.774 110 E CB 2.161 31.861 29.700 -0.001 0.000 1.296 110 E HN 0.277 nan 8.360 nan 0.000 0.414 111 P HA -0.012 nan 4.420 nan 0.000 0.273 111 P C -0.187 177.113 177.300 0.001 0.000 1.250 111 P CA -0.358 62.767 63.100 0.041 0.000 0.793 111 P CB 0.708 32.437 31.700 0.048 0.000 1.011 112 D N -0.784 119.592 120.400 -0.041 0.000 2.362 112 D HA 0.351 5.041 4.640 0.083 0.000 0.238 112 D C -0.418 175.842 176.300 -0.067 0.000 1.212 112 D CA -0.374 53.577 54.000 -0.083 0.000 0.902 112 D CB -0.023 40.705 40.800 -0.120 0.000 1.180 112 D HN 0.526 nan 8.370 nan 0.000 0.445 113 A N 0.180 122.950 122.820 -0.084 0.000 2.515 113 A HA 0.607 4.977 4.320 0.083 0.000 0.296 113 A C -1.215 176.248 177.584 -0.203 0.000 1.094 113 A CA -0.925 51.041 52.037 -0.118 0.000 0.718 113 A CB 1.424 20.396 19.000 -0.047 0.000 1.307 113 A HN 0.481 nan 8.150 nan 0.000 0.408 114 I N 0.745 121.115 120.570 -0.334 0.000 2.382 114 I HA 0.393 4.613 4.170 0.083 0.000 0.286 114 I C -0.771 175.263 176.117 -0.138 0.000 1.002 114 I CA -0.261 60.775 61.300 -0.441 0.000 1.135 114 I CB 0.755 38.041 38.000 -1.189 0.000 1.288 114 I HN 0.634 nan 8.210 nan 0.000 0.448 115 C N 9.957 129.222 119.300 -0.059 0.000 3.362 115 C HA 0.397 4.907 4.460 0.083 0.000 0.276 115 C C -2.385 172.593 174.990 -0.020 0.000 1.102 115 C CA -1.364 57.707 59.018 0.087 0.000 1.361 115 C CB 0.656 28.432 27.740 0.060 0.000 1.822 115 C HN 0.532 nan 8.230 nan 0.000 0.538 116 P HA -0.079 nan 4.420 nan 0.000 0.266 116 P C 0.635 177.860 177.300 -0.125 0.000 1.186 116 P CA 0.873 63.852 63.100 -0.202 0.000 0.767 116 P CB 0.661 32.151 31.700 -0.350 0.000 0.820 117 Q N 1.944 121.729 119.800 -0.025 0.000 2.197 117 Q HA -0.242 4.148 4.340 0.083 0.000 0.207 117 Q C 1.916 177.942 176.000 0.044 0.000 0.984 117 Q CA 1.583 57.391 55.803 0.009 0.000 0.869 117 Q CB -0.276 28.466 28.738 0.006 0.000 0.906 117 Q HN 0.599 nan 8.270 nan 0.000 0.426 118 H N -2.551 116.437 119.070 -0.137 0.000 2.546 118 H HA -0.110 4.498 4.556 0.085 0.000 0.277 118 H C 0.707 176.091 175.328 0.094 0.000 1.004 118 H CA 0.764 56.770 56.048 -0.071 0.000 1.231 118 H CB -0.283 29.398 29.762 -0.136 0.000 1.382 118 H HN 0.401 nan 8.280 nan 0.000 0.580 119 W N 0.254 121.344 121.300 -0.351 0.000 2.699 119 W HA 0.166 4.876 4.660 0.084 0.000 0.267 119 W C 2.228 178.654 176.519 -0.154 0.000 1.182 119 W CA -0.421 56.753 57.345 -0.285 0.000 1.453 119 W CB -0.933 28.329 29.460 -0.330 0.000 1.054 119 W HN 0.173 nan 8.180 nan 0.000 0.595 120 L N 1.635 122.917 121.223 0.098 0.000 2.012 120 L HA -0.110 4.279 4.340 0.083 0.000 0.210 120 L C 2.409 179.286 176.870 0.011 0.000 1.073 120 L CA 2.807 57.657 54.840 0.015 0.000 0.748 120 L CB -1.246 40.804 42.059 -0.015 0.000 0.891 120 L HN -0.087 nan 8.230 nan 0.000 0.431 121 A N -0.136 122.704 122.820 0.032 0.000 1.865 121 A HA -0.152 4.218 4.320 0.083 0.000 0.217 121 A C 0.203 177.806 177.584 0.033 0.000 1.191 121 A CA 2.136 54.193 52.037 0.034 0.000 0.623 121 A CB -2.127 16.899 19.000 0.043 0.000 0.826 121 A HN 0.434 nan 8.150 nan 0.000 0.444 122 P HA -0.136 nan 4.420 nan 0.000 0.215 122 P C 1.499 178.809 177.300 0.016 0.000 1.153 122 P CA 0.902 64.023 63.100 0.035 0.000 0.853 122 P CB -0.123 31.607 31.700 0.049 0.000 0.788 123 L N -1.611 119.615 121.223 0.005 0.000 2.027 123 L HA -0.159 4.231 4.340 0.083 0.000 0.206 123 L C 2.454 179.320 176.870 -0.007 0.000 1.074 123 L CA 1.361 56.191 54.840 -0.016 0.000 0.745 123 L CB -0.946 41.086 42.059 -0.046 0.000 0.898 123 L HN -0.030 nan 8.230 nan 0.000 0.433 124 L N -0.446 120.773 121.223 -0.006 0.000 2.046 124 L HA -0.189 4.200 4.340 0.083 0.000 0.208 124 L C 2.881 179.767 176.870 0.027 0.000 1.077 124 L CA 1.170 56.020 54.840 0.017 0.000 0.747 124 L CB -0.796 41.281 42.059 0.029 0.000 0.896 124 L HN 0.242 nan 8.230 nan 0.000 0.432 125 A N -0.266 122.568 122.820 0.024 0.000 1.933 125 A HA -0.258 4.111 4.320 0.083 0.000 0.218 125 A C 2.274 179.873 177.584 0.024 0.000 1.175 125 A CA 1.885 53.937 52.037 0.025 0.000 0.628 125 A CB -0.473 18.542 19.000 0.025 0.000 0.814 125 A HN 0.490 nan 8.150 nan 0.000 0.444 126 E N -0.253 119.959 120.200 0.020 0.000 2.072 126 E HA -0.077 4.322 4.350 0.083 0.000 0.191 126 E C 2.155 178.771 176.600 0.026 0.000 0.985 126 E CA 0.892 57.303 56.400 0.018 0.000 0.801 126 E CB -0.231 29.475 29.700 0.010 0.000 0.750 126 E HN 0.538 nan 8.360 nan 0.000 0.452 127 A N 0.428 123.268 122.820 0.033 0.000 1.902 127 A HA -0.120 4.250 4.320 0.083 0.000 0.217 127 A C 2.329 179.946 177.584 0.055 0.000 1.181 127 A CA 1.341 53.407 52.037 0.049 0.000 0.623 127 A CB -0.468 18.570 19.000 0.062 0.000 0.818 127 A HN 0.227 nan 8.150 nan 0.000 0.443 128 V N -0.881 119.063 119.914 0.051 0.000 2.719 128 V HA 0.170 4.339 4.120 0.083 0.000 0.252 128 V C 1.948 178.073 176.094 0.052 0.000 1.065 128 V CA 0.966 63.306 62.300 0.067 0.000 1.086 128 V CB -1.703 30.158 31.823 0.064 0.000 0.700 128 V HN 1.062 nan 8.190 nan 0.000 0.467 129 G N 0.719 109.540 108.800 0.034 0.000 2.566 129 G HA2 -0.424 3.586 3.960 0.083 0.000 0.280 129 G HA3 -0.424 3.586 3.960 0.083 0.000 0.280 129 G C 1.063 175.968 174.900 0.009 0.000 1.225 129 G CA 0.530 45.642 45.100 0.020 0.000 0.966 129 G HN 0.392 nan 8.290 nan 0.000 0.560 130 E N 0.753 120.952 120.200 -0.003 0.000 2.273 130 E HA -0.209 4.191 4.350 0.083 0.000 0.198 130 E C 2.383 178.966 176.600 -0.029 0.000 1.002 130 E CA 1.577 57.968 56.400 -0.015 0.000 0.828 130 E CB -0.214 29.474 29.700 -0.020 0.000 0.747 130 E HN 0.514 nan 8.360 nan 0.000 0.491 131 R N 0.289 120.763 120.500 -0.045 0.000 2.237 131 R HA -0.049 4.341 4.340 0.083 0.000 0.219 131 R C 0.910 177.200 176.300 -0.017 0.000 1.080 131 R CA 0.184 56.235 56.100 -0.082 0.000 0.995 131 R CB -0.698 29.498 30.300 -0.172 0.000 0.875 131 R HN 0.147 nan 8.270 nan 0.000 0.462 132 L N 2.245 123.473 121.223 0.008 0.000 2.257 132 L HA 0.244 4.634 4.340 0.083 0.000 0.290 132 L C -0.575 176.302 176.870 0.012 0.000 1.044 132 L CA -0.295 54.557 54.840 0.020 0.000 0.810 132 L CB 0.902 42.977 42.059 0.026 0.000 1.193 132 L HN -0.216 nan 8.230 nan 0.000 0.425 133 R N 3.713 124.220 120.500 0.013 0.000 2.239 133 R HA 0.397 4.786 4.340 0.083 0.000 0.332 133 R C -0.061 176.248 176.300 0.015 0.000 0.988 133 R CA -0.362 55.744 56.100 0.011 0.000 0.859 133 R CB 0.506 30.811 30.300 0.009 0.000 1.148 133 R HN 0.811 nan 8.270 nan 0.000 0.482 134 T N -0.366 114.197 114.554 0.015 0.000 2.847 134 T HA 0.291 4.691 4.350 0.083 0.000 0.279 134 T C 0.514 175.224 174.700 0.016 0.000 0.984 134 T CA -0.791 61.319 62.100 0.017 0.000 0.988 134 T CB 0.938 69.817 68.868 0.018 0.000 1.040 134 T HN 0.542 nan 8.240 nan 0.000 0.528 135 R N -0.744 119.766 120.500 0.017 0.000 3.516 135 R HA -0.125 4.264 4.340 0.083 0.000 0.271 135 R C -0.679 175.632 176.300 0.017 0.000 1.098 135 R CA 0.461 56.571 56.100 0.017 0.000 0.732 135 R CB -3.003 27.306 30.300 0.015 0.000 1.152 135 R HN 0.730 nan 8.270 nan 0.000 0.455 136 S N 0.313 116.025 115.700 0.019 0.000 2.605 136 S HA 0.502 5.021 4.470 0.083 0.000 0.308 136 S C -0.033 174.582 174.600 0.026 0.000 1.113 136 S CA -0.853 57.359 58.200 0.021 0.000 1.049 136 S CB 2.734 65.947 63.200 0.021 0.000 1.001 136 S HN 0.299 nan 8.310 nan 0.000 0.480 137 R N 3.188 123.705 120.500 0.028 0.000 2.343 137 R HA 0.468 4.858 4.340 0.083 0.000 0.320 137 R C -1.082 175.243 176.300 0.042 0.000 0.956 137 R CA -0.684 55.435 56.100 0.033 0.000 0.836 137 R CB 0.712 31.030 30.300 0.029 0.000 1.151 137 R HN 0.667 nan 8.270 nan 0.000 0.450 138 L N 5.492 126.746 121.223 0.051 0.000 2.315 138 L HA 0.128 4.518 4.340 0.083 0.000 0.283 138 L C 0.219 177.134 176.870 0.075 0.000 1.089 138 L CA -0.045 54.838 54.840 0.071 0.000 0.833 138 L CB 0.814 42.923 42.059 0.084 0.000 1.170 138 L HN 0.798 nan 8.230 nan 0.000 0.442 139 D N 1.813 122.254 120.400 0.068 0.000 2.197 139 D HA 0.037 4.727 4.640 0.083 0.000 0.212 139 D C 0.336 176.666 176.300 0.050 0.000 0.963 139 D CA 0.939 54.968 54.000 0.049 0.000 0.864 139 D CB 0.412 41.231 40.800 0.032 0.000 1.009 139 D HN 0.593 nan 8.370 nan 0.000 0.479 140 S N -0.482 115.255 115.700 0.062 0.000 2.588 140 S HA 0.611 5.131 4.470 0.083 0.000 0.269 140 S C -1.184 173.476 174.600 0.099 0.000 1.157 140 S CA -1.092 57.115 58.200 0.012 0.000 0.824 140 S CB 1.657 64.814 63.200 -0.071 0.000 1.126 140 S HN 0.136 nan 8.310 nan 0.000 0.464 141 F N -0.780 119.167 119.950 -0.006 0.000 2.588 141 F HA 0.875 5.453 4.527 0.084 0.000 0.310 141 F C -0.781 174.998 175.800 -0.035 0.000 1.082 141 F CA -0.796 57.195 58.000 -0.014 0.000 0.929 141 F CB 1.708 40.702 39.000 -0.010 0.000 1.254 141 F HN 0.883 nan 8.300 nan 0.000 0.455 142 E N 2.755 123.020 120.200 0.109 0.000 2.244 142 E HA 0.267 4.667 4.350 0.083 0.000 0.260 142 E C -1.500 175.105 176.600 0.008 0.000 0.884 142 E CA -0.634 55.762 56.400 -0.006 0.000 0.777 142 E CB 1.572 31.234 29.700 -0.064 0.000 1.197 142 E HN 0.842 nan 8.360 nan 0.000 0.416 143 Q N 3.119 122.940 119.800 0.035 0.000 2.327 143 Q HA 0.310 4.700 4.340 0.083 0.000 0.254 143 Q C -0.119 175.779 176.000 -0.171 0.000 0.952 143 Q CA -0.304 55.467 55.803 -0.052 0.000 0.884 143 Q CB 1.154 29.898 28.738 0.010 0.000 1.224 143 Q HN 0.353 nan 8.270 nan 0.000 0.422 144 R N 0.991 121.302 120.500 -0.315 0.000 3.029 144 R HA 0.206 4.596 4.340 0.083 0.000 0.239 144 R C 0.325 176.496 176.300 -0.214 0.000 1.351 144 R CA -0.735 55.165 56.100 -0.334 0.000 1.052 144 R CB 0.320 30.215 30.300 -0.675 0.000 1.354 144 R HN 0.576 nan 8.270 nan 0.000 0.499 145 D N 0.794 121.122 120.400 -0.119 0.000 2.117 145 D HA -0.138 4.552 4.640 0.083 0.000 0.197 145 D C 0.769 177.046 176.300 -0.039 0.000 0.987 145 D CA 1.672 55.639 54.000 -0.054 0.000 0.829 145 D CB 0.130 40.920 40.800 -0.017 0.000 0.961 145 D HN 0.528 nan 8.370 nan 0.000 0.460 146 D N -1.187 119.219 120.400 0.009 0.000 2.469 146 D HA -0.027 4.663 4.640 0.083 0.000 0.215 146 D C 0.563 176.890 176.300 0.045 0.000 1.154 146 D CA -0.125 53.889 54.000 0.024 0.000 0.832 146 D CB -0.035 40.798 40.800 0.055 0.000 1.008 146 D HN 0.351 nan 8.370 nan 0.000 0.506 147 H N -2.262 116.725 119.070 -0.139 0.000 2.932 147 H HA 0.583 5.188 4.556 0.082 0.000 0.307 147 H C -1.853 173.397 175.328 -0.130 0.000 1.391 147 H CA -0.902 55.051 56.048 -0.158 0.000 1.130 147 H CB 0.770 30.458 29.762 -0.123 0.000 1.836 147 H HN -0.196 nan 8.280 nan 0.000 0.522 148 V N 1.693 121.525 119.914 -0.136 0.000 2.540 148 V HA 0.468 4.638 4.120 0.083 0.000 0.302 148 V C 0.113 176.177 176.094 -0.049 0.000 1.035 148 V CA -0.842 61.377 62.300 -0.136 0.000 0.873 148 V CB 1.627 33.421 31.823 -0.049 0.000 0.992 148 V HN 0.590 nan 8.190 nan 0.000 0.428 149 R N 2.916 123.361 120.500 -0.091 0.000 2.255 149 R HA 0.792 5.182 4.340 0.083 0.000 0.326 149 R C -0.357 176.007 176.300 0.107 0.000 0.986 149 R CA -0.274 55.811 56.100 -0.025 0.000 0.847 149 R CB 1.800 32.010 30.300 -0.150 0.000 1.111 149 R HN 0.826 nan 8.270 nan 0.000 0.452 150 A N 2.092 125.007 122.820 0.158 0.000 2.355 150 A HA 0.548 4.918 4.320 0.083 0.000 0.324 150 A C -0.507 177.157 177.584 0.134 0.000 1.117 150 A CA -0.619 51.515 52.037 0.162 0.000 0.785 150 A CB 1.792 20.879 19.000 0.144 0.000 1.254 150 A HN 0.541 nan 8.150 nan 0.000 0.453 151 T N 3.399 118.019 114.554 0.110 0.000 2.756 151 T HA 0.510 4.909 4.350 0.083 0.000 0.290 151 T C -0.348 174.394 174.700 0.069 0.000 0.985 151 T CA -0.074 62.074 62.100 0.079 0.000 0.955 151 T CB 0.103 69.005 68.868 0.056 0.000 0.930 151 T HN 0.403 nan 8.240 nan 0.000 0.451 152 I N 3.173 123.778 120.570 0.058 0.000 2.433 152 I HA 0.347 4.566 4.170 0.083 0.000 0.292 152 I C 0.412 176.550 176.117 0.034 0.000 1.001 152 I CA -0.666 60.662 61.300 0.047 0.000 1.119 152 I CB 1.813 39.839 38.000 0.044 0.000 1.289 152 I HN 0.480 nan 8.210 nan 0.000 0.438 153 T N 4.061 118.634 114.554 0.030 0.000 2.756 153 T HA 0.130 4.530 4.350 0.083 0.000 0.290 153 T C -0.111 174.601 174.700 0.020 0.000 0.985 153 T CA -0.388 61.726 62.100 0.023 0.000 0.955 153 T CB 0.814 69.694 68.868 0.021 0.000 0.930 153 T HN 0.403 nan 8.240 nan 0.000 0.451 154 D N 3.567 123.976 120.400 0.017 0.000 2.342 154 D HA 0.055 4.745 4.640 0.083 0.000 0.260 154 D C 1.196 177.504 176.300 0.013 0.000 1.278 154 D CA -0.217 53.792 54.000 0.014 0.000 0.910 154 D CB 0.585 41.392 40.800 0.011 0.000 1.079 154 D HN 0.483 nan 8.370 nan 0.000 0.496 155 L N 3.665 124.897 121.223 0.014 0.000 2.362 155 L HA -0.090 4.299 4.340 0.083 0.000 0.219 155 L C 2.356 179.233 176.870 0.012 0.000 1.134 155 L CA 0.592 55.441 54.840 0.014 0.000 0.807 155 L CB -0.103 41.965 42.059 0.015 0.000 0.927 155 L HN 0.315 nan 8.230 nan 0.000 0.447 156 R N -0.282 120.224 120.500 0.011 0.000 2.080 156 R HA -0.059 4.331 4.340 0.083 0.000 0.222 156 R C 2.215 178.520 176.300 0.008 0.000 1.107 156 R CA 1.783 57.889 56.100 0.010 0.000 0.980 156 R CB -0.315 29.990 30.300 0.009 0.000 0.879 156 R HN 0.399 nan 8.270 nan 0.000 0.439 157 T N -3.373 111.186 114.554 0.008 0.000 3.040 157 T HA 0.195 4.595 4.350 0.083 0.000 0.250 157 T C 1.409 176.113 174.700 0.007 0.000 1.058 157 T CA 0.471 62.575 62.100 0.007 0.000 0.988 157 T CB 0.876 69.747 68.868 0.006 0.000 0.993 157 T HN 0.385 nan 8.240 nan 0.000 0.519 158 G N 1.529 110.334 108.800 0.009 0.000 2.175 158 G HA2 -0.133 3.877 3.960 0.083 0.000 0.265 158 G HA3 -0.133 3.877 3.960 0.083 0.000 0.265 158 G C 0.335 175.240 174.900 0.009 0.000 0.979 158 G CA 0.107 45.213 45.100 0.009 0.000 0.663 158 G HN 1.254 nan 8.290 nan 0.000 0.533 159 A N 0.207 123.032 122.820 0.009 0.000 2.354 159 A HA 0.765 5.135 4.320 0.083 0.000 0.269 159 A C 0.753 178.344 177.584 0.011 0.000 1.109 159 A CA 0.939 52.981 52.037 0.008 0.000 0.800 159 A CB 0.523 19.526 19.000 0.006 0.000 1.045 159 A HN 1.672 nan 8.150 nan 0.000 0.489 160 T N -1.330 113.231 114.554 0.012 0.000 2.859 160 T HA 0.822 5.222 4.350 0.083 0.000 0.281 160 T C -0.103 174.607 174.700 0.017 0.000 1.005 160 T CA -0.089 62.022 62.100 0.017 0.000 1.025 160 T CB 1.373 70.253 68.868 0.019 0.000 0.977 160 T HN 1.393 nan 8.240 nan 0.000 0.458 161 R N 0.695 121.208 120.500 0.022 0.000 2.750 161 R HA 0.930 5.320 4.340 0.083 0.000 0.281 161 R C -0.282 176.039 176.300 0.035 0.000 0.972 161 R CA -0.744 55.367 56.100 0.018 0.000 0.912 161 R CB 0.955 31.262 30.300 0.011 0.000 1.187 161 R HN 1.395 nan 8.270 nan 0.000 0.464 162 A N 1.131 123.969 122.820 0.030 0.000 2.274 162 A HA 0.662 5.032 4.320 0.083 0.000 0.309 162 A C -0.677 176.942 177.584 0.058 0.000 1.226 162 A CA -0.519 51.559 52.037 0.070 0.000 0.853 162 A CB 1.026 20.068 19.000 0.069 0.000 1.146 162 A HN 0.865 nan 8.150 nan 0.000 0.518 163 V N 4.391 124.390 119.914 0.143 0.000 2.407 163 V HA 0.268 4.437 4.120 0.083 0.000 0.291 163 V C -0.431 175.837 176.094 0.292 0.000 1.018 163 V CA -0.414 61.966 62.300 0.134 0.000 0.842 163 V CB 1.107 32.985 31.823 0.091 0.000 0.996 163 V HN 0.957 nan 8.190 nan 0.000 0.426 164 H N 3.611 122.712 119.070 0.052 0.000 2.640 164 H HA 0.701 5.307 4.556 0.082 0.000 0.297 164 H C 0.091 175.454 175.328 0.059 0.000 1.073 164 H CA -0.356 55.749 56.048 0.094 0.000 1.305 164 H CB 1.640 31.422 29.762 0.033 0.000 1.404 164 H HN 0.776 nan 8.280 nan 0.000 0.459 165 A N 3.132 126.056 122.820 0.173 0.000 2.355 165 A HA 0.310 4.679 4.320 0.083 0.000 0.324 165 A C 0.962 178.564 177.584 0.029 0.000 1.117 165 A CA -0.877 51.212 52.037 0.087 0.000 0.785 165 A CB 1.413 20.456 19.000 0.072 0.000 1.254 165 A HN 0.849 nan 8.150 nan 0.000 0.453 166 R N -0.457 120.017 120.500 -0.044 0.000 2.115 166 R HA -0.006 4.384 4.340 0.083 0.000 0.230 166 R C -0.741 175.201 176.300 -0.596 0.000 1.111 166 R CA 1.355 57.292 56.100 -0.273 0.000 0.976 166 R CB -0.110 30.034 30.300 -0.261 0.000 0.870 166 R HN 0.691 nan 8.270 nan 0.000 0.445 167 Y N -0.897 119.417 120.300 0.024 0.000 2.504 167 Y HA 0.354 4.954 4.550 0.083 0.000 0.344 167 Y C -0.923 174.975 175.900 -0.003 0.000 1.023 167 Y CA -1.350 56.763 58.100 0.021 0.000 1.020 167 Y CB 1.733 40.173 38.460 -0.033 0.000 1.282 167 Y HN -0.201 nan 8.280 nan 0.000 0.454 168 L N 3.359 124.669 121.223 0.146 0.000 2.325 168 L HA 0.813 5.203 4.340 0.083 0.000 0.281 168 L C -1.568 175.322 176.870 0.033 0.000 1.004 168 L CA -0.707 54.141 54.840 0.014 0.000 0.823 168 L CB 1.395 43.368 42.059 -0.143 0.000 1.236 168 L HN 0.423 nan 8.230 nan 0.000 0.415 169 V N 5.417 125.329 119.914 -0.004 0.000 2.334 169 V HA 0.666 4.835 4.120 0.083 0.000 0.281 169 V C 0.438 176.501 176.094 -0.052 0.000 1.016 169 V CA -0.523 61.767 62.300 -0.017 0.000 0.832 169 V CB 1.159 32.929 31.823 -0.090 0.000 0.999 169 V HN 0.945 nan 8.190 nan 0.000 0.439 170 A N 3.950 126.735 122.820 -0.059 0.000 2.350 170 A HA 0.392 4.762 4.320 0.083 0.000 0.293 170 A C 0.386 177.933 177.584 -0.061 0.000 1.231 170 A CA -0.169 51.829 52.037 -0.066 0.000 0.883 170 A CB -0.172 18.781 19.000 -0.078 0.000 1.133 170 A HN 0.917 nan 8.150 nan 0.000 0.533 171 C N 2.858 122.127 119.300 -0.051 0.000 2.667 171 C HA 0.222 4.732 4.460 0.083 0.000 0.261 171 C C 0.749 175.723 174.990 -0.028 0.000 1.590 171 C CA -0.545 58.443 59.018 -0.050 0.000 1.668 171 C CB -1.207 26.504 27.740 -0.049 0.000 2.962 171 C HN 0.876 nan 8.230 nan 0.000 0.525 172 D N 0.127 120.514 120.400 -0.022 0.000 2.370 172 D HA 0.361 5.050 4.640 0.083 0.000 0.230 172 D C 1.012 177.317 176.300 0.009 0.000 1.143 172 D CA 0.548 54.547 54.000 -0.001 0.000 0.834 172 D CB -0.108 40.698 40.800 0.010 0.000 0.944 172 D HN 0.586 nan 8.370 nan 0.000 0.504 173 G N -0.278 108.523 108.800 0.003 0.000 2.796 173 G HA2 -0.044 3.966 3.960 0.083 0.000 0.571 173 G HA3 -0.044 3.966 3.960 0.083 0.000 0.571 173 G C 0.916 175.838 174.900 0.036 0.000 1.370 173 G CA 0.228 45.343 45.100 0.025 0.000 0.856 173 G HN 0.656 nan 8.290 nan 0.000 0.538 174 A N -0.430 122.437 122.820 0.077 0.000 1.948 174 A HA 0.115 4.484 4.320 0.083 0.000 0.220 174 A C 2.615 180.246 177.584 0.078 0.000 1.177 174 A CA 3.408 55.505 52.037 0.099 0.000 0.636 174 A CB -0.692 18.411 19.000 0.171 0.000 0.815 174 A HN 2.401 nan 8.150 nan 0.000 0.449 175 S N -0.599 115.145 115.700 0.073 0.000 2.634 175 S HA 0.205 4.725 4.470 0.083 0.000 0.221 175 S C 0.699 175.326 174.600 0.044 0.000 0.952 175 S CA 0.563 58.798 58.200 0.058 0.000 0.930 175 S CB -0.827 62.406 63.200 0.057 0.000 0.780 175 S HN 0.709 nan 8.310 nan 0.000 0.498 176 S N 3.415 119.136 115.700 0.036 0.000 4.499 176 S HA -0.042 4.478 4.470 0.083 0.000 0.536 176 S C -1.418 173.206 174.600 0.041 0.000 0.899 176 S CA -0.366 57.851 58.200 0.028 0.000 1.317 176 S CB -0.001 63.202 63.200 0.006 0.000 1.208 176 S HN 0.338 nan 8.310 nan 0.000 0.481 177 P HA -0.014 nan 4.420 nan 0.000 0.221 177 P C 1.503 178.864 177.300 0.101 0.000 1.150 177 P CA 0.870 64.008 63.100 0.065 0.000 0.800 177 P CB 0.034 31.772 31.700 0.064 0.000 0.787 178 T N -0.824 113.796 114.554 0.110 0.000 2.777 178 T HA -0.147 4.253 4.350 0.083 0.000 0.266 178 T C 1.874 176.652 174.700 0.129 0.000 1.040 178 T CA 1.036 63.236 62.100 0.166 0.000 1.141 178 T CB -0.421 68.471 68.868 0.040 0.000 0.868 178 T HN 0.114 nan 8.240 nan 0.000 0.444 179 R N 1.219 121.756 120.500 0.062 0.000 2.083 179 R HA -0.102 4.287 4.340 0.083 0.000 0.237 179 R C 2.301 178.638 176.300 0.061 0.000 1.137 179 R CA 1.522 57.649 56.100 0.046 0.000 0.951 179 R CB -0.072 30.242 30.300 0.022 0.000 0.851 179 R HN 0.322 nan 8.270 nan 0.000 0.434 180 K N -0.182 120.254 120.400 0.059 0.000 2.057 180 K HA -0.099 4.271 4.320 0.083 0.000 0.207 180 K C 2.125 178.756 176.600 0.052 0.000 1.049 180 K CA 1.381 57.696 56.287 0.047 0.000 0.931 180 K CB -0.180 32.343 32.500 0.038 0.000 0.714 180 K HN 0.232 nan 8.250 nan 0.000 0.440 181 A N 1.425 124.294 122.820 0.081 0.000 1.940 181 A HA -0.131 4.238 4.320 0.083 0.000 0.219 181 A C 2.034 179.668 177.584 0.083 0.000 1.176 181 A CA 1.296 53.371 52.037 0.064 0.000 0.631 181 A CB -0.595 18.466 19.000 0.101 0.000 0.814 181 A HN 0.185 nan 8.150 nan 0.000 0.446 182 L N -1.353 119.958 121.223 0.147 0.000 2.478 182 L HA 0.105 4.495 4.340 0.083 0.000 0.223 182 L C 1.687 178.591 176.870 0.056 0.000 1.140 182 L CA 0.565 55.479 54.840 0.124 0.000 0.842 182 L CB -0.407 41.720 42.059 0.113 0.000 0.953 182 L HN 0.607 nan 8.230 nan 0.000 0.452 183 G N 1.018 109.843 108.800 0.043 0.000 2.160 183 G HA2 -0.277 3.733 3.960 0.083 0.000 0.244 183 G HA3 -0.277 3.733 3.960 0.083 0.000 0.244 183 G C 0.085 175.000 174.900 0.024 0.000 1.022 183 G CA -0.215 44.900 45.100 0.024 0.000 0.741 183 G HN 0.289 nan 8.290 nan 0.000 0.508 184 I N 0.847 121.436 120.570 0.033 0.000 2.331 184 I HA 0.319 4.539 4.170 0.083 0.000 0.292 184 I C 0.291 176.429 176.117 0.035 0.000 0.998 184 I CA -0.663 60.657 61.300 0.034 0.000 1.267 184 I CB 1.231 39.256 38.000 0.041 0.000 1.386 184 I HN 0.142 nan 8.210 nan 0.000 0.476 185 D N 5.370 125.790 120.400 0.033 0.000 2.283 185 D HA 0.596 5.286 4.640 0.083 0.000 0.248 185 D C -0.553 175.774 176.300 0.044 0.000 1.072 185 D CA -0.274 53.745 54.000 0.032 0.000 0.929 185 D CB 1.517 42.331 40.800 0.023 0.000 1.182 185 D HN 0.588 nan 8.370 nan 0.000 0.433 186 A N 3.137 125.983 122.820 0.044 0.000 3.156 186 A HA 0.376 4.746 4.320 0.083 0.000 0.311 186 A C -2.611 175.000 177.584 0.045 0.000 1.129 186 A CA -1.112 50.958 52.037 0.056 0.000 0.809 186 A CB 0.583 19.621 19.000 0.064 0.000 1.257 186 A HN 0.473 nan 8.150 nan 0.000 0.491 187 P HA 0.242 nan 4.420 nan 0.000 0.266 187 P C -2.749 174.562 177.300 0.019 0.000 1.195 187 P CA -0.714 62.398 63.100 0.020 0.000 0.768 187 P CB -0.009 31.697 31.700 0.009 0.000 0.838 188 P HA 0.109 nan 4.420 nan 0.000 0.265 188 P C 0.864 178.146 177.300 -0.029 0.000 1.193 188 P CA 0.188 63.295 63.100 0.010 0.000 0.765 188 P CB 0.337 32.040 31.700 0.006 0.000 0.823 189 R N 1.574 122.040 120.500 -0.057 0.000 2.365 189 R HA 0.188 4.578 4.340 0.083 0.000 0.223 189 R C 0.178 176.160 176.300 -0.529 0.000 0.899 189 R CA 0.424 56.376 56.100 -0.246 0.000 1.059 189 R CB 0.173 30.330 30.300 -0.238 0.000 1.086 189 R HN 0.647 nan 8.270 nan 0.000 0.522 190 H N -0.496 118.581 119.070 0.012 0.000 3.037 190 H HA 0.196 4.801 4.556 0.082 0.000 0.336 190 H C -0.652 174.618 175.328 -0.097 0.000 1.323 190 H CA -0.881 55.135 56.048 -0.055 0.000 1.159 190 H CB 1.658 31.346 29.762 -0.123 0.000 1.882 190 H HN -0.131 nan 8.280 nan 0.000 0.535 191 R N 0.692 121.211 120.500 0.033 0.000 2.756 191 R HA 0.100 4.490 4.340 0.083 0.000 0.264 191 R C -0.472 175.766 176.300 -0.104 0.000 1.026 191 R CA 0.127 56.203 56.100 -0.040 0.000 1.121 191 R CB 0.423 30.691 30.300 -0.054 0.000 0.999 191 R HN 0.526 nan 8.270 nan 0.000 0.449 192 T N 4.082 118.574 114.554 -0.103 0.000 2.916 192 T HA 0.045 4.445 4.350 0.083 0.000 0.303 192 T C -0.371 174.180 174.700 -0.249 0.000 1.025 192 T CA 0.153 62.164 62.100 -0.147 0.000 1.142 192 T CB 0.681 69.503 68.868 -0.076 0.000 0.947 192 T HN 0.478 nan 8.240 nan 0.000 0.544 193 Q N 1.916 121.494 119.800 -0.369 0.000 2.307 193 Q HA 0.536 4.925 4.340 0.083 0.000 0.262 193 Q C -0.940 174.592 176.000 -0.780 0.000 0.961 193 Q CA -0.757 54.697 55.803 -0.582 0.000 0.882 193 Q CB 1.807 30.172 28.738 -0.622 0.000 1.264 193 Q HN 0.389 nan 8.270 nan 0.000 0.446 194 V N 3.627 123.067 119.914 -0.791 0.000 2.394 194 V HA 0.473 4.643 4.120 0.083 0.000 0.282 194 V C -0.768 174.878 176.094 -0.746 0.000 1.031 194 V CA -0.526 61.323 62.300 -0.752 0.000 0.881 194 V CB 0.434 31.873 31.823 -0.640 0.000 0.982 194 V HN 0.565 nan 8.190 nan 0.000 0.451 195 F N 3.233 123.089 119.950 -0.157 0.000 2.520 195 F HA 0.609 5.186 4.527 0.084 0.000 0.322 195 F C 0.284 176.115 175.800 0.053 0.000 1.103 195 F CA -0.767 57.235 58.000 0.004 0.000 0.926 195 F CB 1.787 40.876 39.000 0.147 0.000 1.154 195 F HN 0.323 nan 8.300 nan 0.000 0.453 196 R N 3.127 123.763 120.500 0.226 0.000 2.229 196 R HA 0.384 4.774 4.340 0.083 0.000 0.332 196 R C -1.200 175.198 176.300 0.164 0.000 0.989 196 R CA -0.488 55.701 56.100 0.148 0.000 0.842 196 R CB 0.375 30.713 30.300 0.064 0.000 1.119 196 R HN 0.630 nan 8.270 nan 0.000 0.456 197 N N 6.084 124.894 118.700 0.183 0.000 2.444 197 N HA 0.287 5.077 4.740 0.083 0.000 0.262 197 N C -0.752 174.916 175.510 0.262 0.000 0.974 197 N CA -0.303 52.874 53.050 0.211 0.000 0.933 197 N CB 1.818 40.419 38.487 0.191 0.000 1.137 197 N HN 0.530 nan 8.380 nan 0.000 0.498 198 I N 2.819 123.504 120.570 0.191 0.000 2.359 198 I HA 0.191 4.411 4.170 0.083 0.000 0.284 198 I C -0.271 175.961 176.117 0.192 0.000 1.018 198 I CA -0.813 60.589 61.300 0.169 0.000 1.173 198 I CB 1.265 39.325 38.000 0.099 0.000 1.326 198 I HN 0.198 nan 8.210 nan 0.000 0.462 199 L N 9.265 130.499 121.223 0.018 0.000 2.276 199 L HA 0.582 4.972 4.340 0.083 0.000 0.286 199 L C -0.746 176.166 176.870 0.070 0.000 1.061 199 L CA 0.178 54.939 54.840 -0.131 0.000 0.807 199 L CB 0.367 42.063 42.059 -0.604 0.000 1.177 199 L HN 0.449 nan 8.230 nan 0.000 0.429 200 F N 2.960 122.903 119.950 -0.012 0.000 2.629 200 F HA 0.706 5.283 4.527 0.084 0.000 0.316 200 F C -0.913 174.949 175.800 0.103 0.000 1.081 200 F CA -1.226 56.798 58.000 0.041 0.000 0.954 200 F CB 1.277 40.315 39.000 0.064 0.000 1.337 200 F HN 0.489 nan 8.300 nan 0.000 0.474 201 R N 1.749 122.394 120.500 0.241 0.000 2.437 201 R HA 0.827 5.216 4.340 0.083 0.000 0.310 201 R C -1.677 174.812 176.300 0.315 0.000 0.955 201 R CA -0.840 55.359 56.100 0.165 0.000 0.851 201 R CB 1.614 31.970 30.300 0.094 0.000 1.161 201 R HN 1.081 nan 8.270 nan 0.000 0.446 202 A N 6.475 129.485 122.820 0.316 0.000 2.943 202 A HA 0.365 4.735 4.320 0.083 0.000 0.327 202 A C -2.215 175.499 177.584 0.216 0.000 1.141 202 A CA -1.508 50.691 52.037 0.271 0.000 0.773 202 A CB 1.174 20.325 19.000 0.253 0.000 1.143 202 A HN 0.663 nan 8.150 nan 0.000 0.463 203 P HA -0.230 nan 4.420 nan 0.000 0.218 203 P C 0.839 178.183 177.300 0.074 0.000 1.154 203 P CA 1.718 64.878 63.100 0.100 0.000 0.872 203 P CB 0.329 32.071 31.700 0.070 0.000 0.790 204 E N -1.953 118.275 120.200 0.045 0.000 2.481 204 E HA 0.059 4.459 4.350 0.083 0.000 0.198 204 E C 1.522 178.086 176.600 -0.059 0.000 1.027 204 E CA -0.283 56.110 56.400 -0.012 0.000 0.900 204 E CB -0.359 29.318 29.700 -0.038 0.000 0.993 204 E HN 0.096 nan 8.360 nan 0.000 0.482 205 L N 1.887 123.104 121.223 -0.009 0.000 2.042 205 L HA -0.170 4.220 4.340 0.083 0.000 0.210 205 L C 2.339 179.196 176.870 -0.023 0.000 1.076 205 L CA 1.860 56.662 54.840 -0.064 0.000 0.749 205 L CB -0.328 41.679 42.059 -0.087 0.000 0.893 205 L HN -0.013 nan 8.230 nan 0.000 0.432 206 R N -1.249 119.311 120.500 0.101 0.000 2.096 206 R HA -0.123 4.267 4.340 0.083 0.000 0.235 206 R C 2.199 178.476 176.300 -0.037 0.000 1.127 206 R CA 1.534 57.684 56.100 0.083 0.000 0.968 206 R CB -0.162 30.197 30.300 0.099 0.000 0.861 206 R HN 0.430 nan 8.270 nan 0.000 0.440 207 S N 0.957 116.617 115.700 -0.068 0.000 2.368 207 S HA -0.074 4.445 4.470 0.083 0.000 0.225 207 S C 1.848 176.347 174.600 -0.169 0.000 1.030 207 S CA 1.039 59.179 58.200 -0.101 0.000 0.999 207 S CB -0.111 63.037 63.200 -0.088 0.000 0.844 207 S HN 0.293 nan 8.310 nan 0.000 0.459 208 L N 0.756 121.793 121.223 -0.309 0.000 2.141 208 L HA -0.028 4.362 4.340 0.083 0.000 0.209 208 L C 2.090 178.711 176.870 -0.415 0.000 1.094 208 L CA 0.835 55.316 54.840 -0.598 0.000 0.763 208 L CB -0.429 40.823 42.059 -1.345 0.000 0.908 208 L HN 0.284 nan 8.230 nan 0.000 0.437 209 L N -1.085 120.028 121.223 -0.183 0.000 2.095 209 L HA 0.071 4.461 4.340 0.083 0.000 0.204 209 L C 1.754 178.652 176.870 0.047 0.000 1.080 209 L CA 0.719 55.601 54.840 0.070 0.000 0.759 209 L CB -0.790 41.369 42.059 0.168 0.000 0.914 209 L HN 0.442 nan 8.230 nan 0.000 0.439 210 G N 1.116 109.903 108.800 -0.021 0.000 2.583 210 G HA2 -0.384 3.625 3.960 0.083 0.000 0.292 210 G HA3 -0.384 3.625 3.960 0.083 0.000 0.292 210 G C 0.788 175.667 174.900 -0.035 0.000 1.203 210 G CA 0.449 45.529 45.100 -0.033 0.000 0.987 210 G HN 0.456 nan 8.290 nan 0.000 0.554 211 E N 1.035 121.226 120.200 -0.015 0.000 2.482 211 E HA 0.008 4.408 4.350 0.083 0.000 0.196 211 E C 2.152 178.759 176.600 0.011 0.000 1.047 211 E CA 1.002 57.391 56.400 -0.019 0.000 0.869 211 E CB 0.048 29.744 29.700 -0.008 0.000 0.836 211 E HN 0.502 nan 8.360 nan 0.000 0.520 212 R N 0.981 121.516 120.500 0.058 0.000 2.320 212 R HA 0.243 4.633 4.340 0.083 0.000 0.211 212 R C 0.697 177.116 176.300 0.197 0.000 0.931 212 R CA 0.503 56.677 56.100 0.122 0.000 1.071 212 R CB 0.230 30.627 30.300 0.160 0.000 1.025 212 R HN 0.216 nan 8.270 nan 0.000 0.495 213 A N 0.309 123.195 122.820 0.111 0.000 2.327 213 A HA 0.702 5.071 4.320 0.083 0.000 0.255 213 A C 0.014 177.594 177.584 -0.007 0.000 1.099 213 A CA 0.249 52.374 52.037 0.145 0.000 0.801 213 A CB 0.409 19.366 19.000 -0.073 0.000 1.062 213 A HN 0.306 nan 8.150 nan 0.000 0.496 214 A N -1.184 121.592 122.820 -0.074 0.000 2.601 214 A HA 0.542 4.911 4.320 0.083 0.000 0.291 214 A C 0.065 177.575 177.584 -0.124 0.000 1.075 214 A CA 0.027 51.880 52.037 -0.308 0.000 0.671 214 A CB 0.182 18.637 19.000 -0.909 0.000 1.277 214 A HN 1.713 nan 8.150 nan 0.000 0.417 215 L N 0.249 121.345 121.223 -0.211 0.000 2.102 215 L HA 0.458 4.848 4.340 0.083 0.000 0.202 215 L C -0.029 176.578 176.870 -0.438 0.000 1.076 215 L CA 1.669 56.294 54.840 -0.357 0.000 0.761 215 L CB -0.339 41.285 42.059 -0.725 0.000 0.921 215 L HN 0.558 nan 8.230 nan 0.000 0.444 216 F N -0.887 118.956 119.950 -0.178 0.000 2.493 216 F HA 0.426 5.003 4.527 0.082 0.000 0.329 216 F C -0.733 174.901 175.800 -0.278 0.000 1.126 216 F CA -0.862 57.060 58.000 -0.131 0.000 0.937 216 F CB 1.326 40.271 39.000 -0.091 0.000 1.146 216 F HN -0.291 nan 8.300 nan 0.000 0.442 217 F N 3.310 123.368 119.950 0.182 0.000 2.493 217 F HA 0.395 4.972 4.527 0.083 0.000 0.329 217 F C -0.826 174.966 175.800 -0.014 0.000 1.126 217 F CA -1.274 56.760 58.000 0.057 0.000 0.937 217 F CB 1.609 40.667 39.000 0.097 0.000 1.146 217 F HN 0.248 nan 8.300 nan 0.000 0.442 218 F N 5.431 125.323 119.950 -0.098 0.000 2.375 218 F HA 0.615 5.191 4.527 0.082 0.000 0.361 218 F C -1.130 174.600 175.800 -0.116 0.000 1.117 218 F CA -0.821 57.047 58.000 -0.220 0.000 1.037 218 F CB 0.593 39.197 39.000 -0.660 0.000 1.192 218 F HN 0.240 nan 8.300 nan 0.000 0.452 219 L N 6.589 127.475 121.223 -0.561 0.000 2.331 219 L HA 0.360 4.750 4.340 0.083 0.000 0.278 219 L C -0.028 176.581 176.870 -0.436 0.000 1.106 219 L CA 0.155 54.692 54.840 -0.504 0.000 0.824 219 L CB 1.100 42.672 42.059 -0.813 0.000 1.142 219 L HN 0.622 nan 8.230 nan 0.000 0.443 220 M N 5.023 124.560 119.600 -0.104 0.000 2.634 220 M HA 0.220 4.750 4.480 0.083 0.000 0.211 220 M C 0.522 176.873 176.300 0.085 0.000 1.019 220 M CA -0.114 55.228 55.300 0.069 0.000 0.834 220 M CB 0.669 33.418 32.600 0.249 0.000 1.376 220 M HN 0.624 nan 8.290 nan 0.000 0.465 221 L N 0.069 121.276 121.223 -0.026 0.000 2.109 221 L HA 0.028 4.418 4.340 0.083 0.000 0.207 221 L C 0.982 177.949 176.870 0.163 0.000 1.086 221 L CA 0.665 55.577 54.840 0.119 0.000 0.760 221 L CB -0.139 41.914 42.059 -0.010 0.000 0.910 221 L HN 0.669 nan 8.230 nan 0.000 0.437 222 S N -4.079 111.666 115.700 0.075 0.000 2.587 222 S HA 0.214 4.734 4.470 0.083 0.000 0.269 222 S C 0.283 174.915 174.600 0.053 0.000 1.154 222 S CA -0.475 57.746 58.200 0.034 0.000 0.824 222 S CB 1.373 64.582 63.200 0.015 0.000 1.118 222 S HN -0.114 nan 8.310 nan 0.000 0.462 223 S N 1.158 116.882 115.700 0.040 0.000 2.440 223 S HA -0.079 4.441 4.470 0.083 0.000 0.238 223 S C 1.785 176.421 174.600 0.061 0.000 1.010 223 S CA 1.590 59.823 58.200 0.054 0.000 0.972 223 S CB -0.510 62.710 63.200 0.035 0.000 0.774 223 S HN 1.023 nan 8.310 nan 0.000 0.501 224 S N -0.435 115.296 115.700 0.053 0.000 2.535 224 S HA 0.289 4.809 4.470 0.083 0.000 0.214 224 S C 0.112 174.761 174.600 0.083 0.000 0.980 224 S CA -0.327 57.909 58.200 0.059 0.000 0.907 224 S CB 0.044 63.270 63.200 0.044 0.000 0.790 224 S HN 0.224 nan 8.310 nan 0.000 0.510 225 L N 3.330 124.603 121.223 0.083 0.000 2.454 225 L HA 0.566 4.955 4.340 0.083 0.000 0.258 225 L C -1.212 175.654 176.870 -0.007 0.000 1.025 225 L CA -0.388 54.519 54.840 0.111 0.000 0.901 225 L CB 1.010 43.148 42.059 0.132 0.000 1.210 225 L HN 0.126 nan 8.230 nan 0.000 0.457 226 R N 4.872 125.379 120.500 0.012 0.000 2.628 226 R HA 0.827 5.217 4.340 0.083 0.000 0.288 226 R C -1.355 174.801 176.300 -0.240 0.000 0.980 226 R CA -0.569 55.406 56.100 -0.208 0.000 0.891 226 R CB 2.123 32.523 30.300 0.167 0.000 1.188 226 R HN 0.442 nan 8.270 nan 0.000 0.450 227 F N -1.217 118.353 119.950 -0.632 0.000 2.769 227 F HA 0.588 5.164 4.527 0.082 0.000 0.313 227 F C -3.290 172.127 175.800 -0.638 0.000 1.146 227 F CA -2.799 54.909 58.000 -0.487 0.000 0.934 227 F CB 0.848 39.758 39.000 -0.150 0.000 1.283 227 F HN 0.224 nan 8.300 nan 0.000 0.443 228 P HA 0.610 nan 4.420 nan 0.000 0.284 228 P C -1.422 176.062 177.300 0.307 0.000 1.258 228 P CA -0.467 62.702 63.100 0.115 0.000 0.824 228 P CB 1.850 33.657 31.700 0.179 0.000 1.038 229 L N 2.404 123.830 121.223 0.338 0.000 2.439 229 L HA 0.527 4.916 4.340 0.083 0.000 0.270 229 L C -0.768 176.371 176.870 0.449 0.000 0.972 229 L CA -0.499 54.584 54.840 0.404 0.000 0.836 229 L CB 1.335 43.648 42.059 0.423 0.000 1.255 229 L HN 0.307 nan 8.230 nan 0.000 0.404 230 R N 3.481 124.211 120.500 0.384 0.000 2.711 230 R HA 0.748 5.138 4.340 0.083 0.000 0.284 230 R C -0.636 175.809 176.300 0.243 0.000 0.968 230 R CA -0.843 55.461 56.100 0.339 0.000 0.924 230 R CB 1.987 32.477 30.300 0.316 0.000 1.162 230 R HN 0.669 nan 8.270 nan 0.000 0.465 231 A N 2.723 125.629 122.820 0.145 0.000 2.354 231 A HA 0.161 4.530 4.320 0.083 0.000 0.281 231 A C 0.726 178.233 177.584 -0.129 0.000 1.174 231 A CA -0.380 51.594 52.037 -0.105 0.000 0.828 231 A CB 0.222 19.214 19.000 -0.013 0.000 1.099 231 A HN 0.905 nan 8.150 nan 0.000 0.516 232 L N 1.811 122.877 121.223 -0.262 0.000 2.145 232 L HA 0.068 4.458 4.340 0.083 0.000 0.201 232 L C 1.531 178.327 176.870 -0.124 0.000 1.075 232 L CA 1.765 56.494 54.840 -0.186 0.000 0.773 232 L CB 0.101 42.011 42.059 -0.248 0.000 0.936 232 L HN 0.838 nan 8.230 nan 0.000 0.451 233 D N -1.977 118.319 120.400 -0.173 0.000 2.469 233 D HA 0.137 4.826 4.640 0.083 0.000 0.213 233 D C 1.341 177.613 176.300 -0.046 0.000 1.135 233 D CA 0.565 54.509 54.000 -0.094 0.000 0.834 233 D CB 0.310 40.958 40.800 -0.252 0.000 1.009 233 D HN 0.292 nan 8.370 nan 0.000 0.507 234 G N 1.364 109.967 108.800 -0.328 0.000 2.168 234 G HA2 -0.370 3.640 3.960 0.083 0.000 0.257 234 G HA3 -0.370 3.640 3.960 0.083 0.000 0.257 234 G C 0.819 175.556 174.900 -0.272 0.000 0.997 234 G CA 0.422 45.090 45.100 -0.719 0.000 0.708 234 G HN 0.474 nan 8.290 nan 0.000 0.520 235 R N -1.227 119.173 120.500 -0.167 0.000 2.590 235 R HA 0.452 4.842 4.340 0.083 0.000 0.410 235 R C 1.533 177.815 176.300 -0.030 0.000 1.010 235 R CA 0.542 56.612 56.100 -0.050 0.000 1.155 235 R CB 0.902 31.222 30.300 0.034 0.000 1.455 235 R HN 1.035 nan 8.270 nan 0.000 0.567 236 G N 0.587 109.326 108.800 -0.102 0.000 2.624 236 G HA2 -0.146 3.864 3.960 0.083 0.000 0.190 236 G HA3 -0.146 3.864 3.960 0.083 0.000 0.190 236 G C -0.134 174.713 174.900 -0.089 0.000 1.008 236 G CA -0.730 44.383 45.100 0.023 0.000 0.731 236 G HN 0.045 nan 8.290 nan 0.000 0.478 237 L N 1.579 122.598 121.223 -0.340 0.000 2.276 237 L HA 0.710 5.100 4.340 0.083 0.000 0.286 237 L C -0.298 176.134 176.870 -0.730 0.000 1.061 237 L CA -0.942 53.659 54.840 -0.399 0.000 0.807 237 L CB 0.838 42.696 42.059 -0.336 0.000 1.177 237 L HN 0.173 nan 8.230 nan 0.000 0.429 238 Y N 1.945 121.884 120.300 -0.603 0.000 2.576 238 Y HA 0.619 5.219 4.550 0.084 0.000 0.346 238 Y C -0.222 175.362 175.900 -0.527 0.000 1.018 238 Y CA -1.004 56.720 58.100 -0.627 0.000 1.050 238 Y CB 2.002 39.869 38.460 -0.987 0.000 1.280 238 Y HN 0.418 nan 8.280 nan 0.000 0.474 239 R N 2.322 122.812 120.500 -0.016 0.000 2.483 239 R HA 0.547 4.936 4.340 0.083 0.000 0.303 239 R C -2.117 174.322 176.300 0.231 0.000 0.987 239 R CA -0.587 55.572 56.100 0.097 0.000 0.881 239 R CB 1.050 31.389 30.300 0.065 0.000 1.177 239 R HN 0.838 nan 8.270 nan 0.000 0.451 240 L N 4.020 125.412 121.223 0.282 0.000 2.264 240 L HA 0.510 4.899 4.340 0.083 0.000 0.289 240 L C -1.060 175.859 176.870 0.082 0.000 1.044 240 L CA -0.121 54.833 54.840 0.189 0.000 0.807 240 L CB 1.744 43.858 42.059 0.092 0.000 1.192 240 L HN 0.656 nan 8.230 nan 0.000 0.425 241 T N 4.830 119.434 114.554 0.084 0.000 2.864 241 T HA 0.333 4.732 4.350 0.083 0.000 0.310 241 T C -0.681 174.080 174.700 0.101 0.000 1.040 241 T CA -0.247 61.912 62.100 0.099 0.000 0.977 241 T CB 1.455 70.383 68.868 0.100 0.000 0.976 241 T HN 0.364 nan 8.240 nan 0.000 0.459 242 V N 3.156 123.097 119.914 0.045 0.000 2.581 242 V HA 0.872 5.042 4.120 0.083 0.000 0.303 242 V C 0.436 176.645 176.094 0.191 0.000 1.041 242 V CA -0.396 61.943 62.300 0.065 0.000 0.907 242 V CB 1.666 33.371 31.823 -0.197 0.000 0.994 242 V HN 0.925 nan 8.190 nan 0.000 0.442 243 G N 3.631 112.557 108.800 0.211 0.000 2.390 243 G HA2 0.448 4.458 3.960 0.083 0.000 0.270 243 G HA3 0.448 4.458 3.960 0.083 0.000 0.270 243 G C -0.507 174.382 174.900 -0.018 0.000 1.211 243 G CA -0.060 45.086 45.100 0.077 0.000 0.842 243 G HN 1.183 nan 8.290 nan 0.000 0.519 244 V N 3.230 123.075 119.914 -0.116 0.000 2.240 244 V HA 0.379 4.549 4.120 0.083 0.000 0.265 244 V C -0.371 175.642 176.094 -0.135 0.000 1.073 244 V CA -0.649 61.594 62.300 -0.095 0.000 0.857 244 V CB -0.337 31.431 31.823 -0.091 0.000 1.114 244 V HN 0.866 nan 8.190 nan 0.000 0.469 245 D N 2.618 122.961 120.400 -0.094 0.000 2.570 245 D HA 0.358 5.047 4.640 0.083 0.000 0.266 245 D C 0.716 176.983 176.300 -0.056 0.000 1.182 245 D CA -0.430 53.513 54.000 -0.095 0.000 1.088 245 D CB 0.504 41.255 40.800 -0.082 0.000 1.186 245 D HN 0.221 nan 8.370 nan 0.000 0.618 246 D N -0.725 119.647 120.400 -0.046 0.000 2.263 246 D HA -0.070 4.620 4.640 0.083 0.000 0.208 246 D C 1.766 178.058 176.300 -0.014 0.000 0.971 246 D CA 1.260 55.243 54.000 -0.028 0.000 0.867 246 D CB -0.277 40.508 40.800 -0.026 0.000 0.929 246 D HN 0.459 nan 8.370 nan 0.000 0.492 247 A N 0.656 123.471 122.820 -0.007 0.000 2.067 247 A HA 0.135 4.504 4.320 0.083 0.000 0.217 247 A C 1.667 179.257 177.584 0.009 0.000 1.156 247 A CA 0.750 52.791 52.037 0.007 0.000 0.683 247 A CB -0.497 18.515 19.000 0.020 0.000 0.808 247 A HN 0.242 nan 8.150 nan 0.000 0.455 248 S N -0.137 115.564 115.700 0.001 0.000 2.466 248 S HA 0.462 4.981 4.470 0.083 0.000 0.286 248 S C 1.050 175.651 174.600 0.001 0.000 1.221 248 S CA 0.514 58.715 58.200 0.002 0.000 1.091 248 S CB 0.067 63.261 63.200 -0.010 0.000 0.956 248 S HN 0.741 nan 8.310 nan 0.000 0.501 249 K N 1.336 121.740 120.400 0.007 0.000 2.287 249 K HA 0.720 5.090 4.320 0.083 0.000 0.199 249 K C 1.096 177.700 176.600 0.006 0.000 1.061 249 K CA 1.490 57.780 56.287 0.006 0.000 0.976 249 K CB -0.623 31.882 32.500 0.008 0.000 0.898 249 K HN 1.424 nan 8.250 nan 0.000 0.492 250 S N -0.353 115.352 115.700 0.009 0.000 2.627 250 S HA 0.608 5.128 4.470 0.083 0.000 0.283 250 S C -0.278 174.327 174.600 0.008 0.000 1.127 250 S CA -0.292 57.913 58.200 0.009 0.000 0.863 250 S CB 1.510 64.716 63.200 0.010 0.000 1.121 250 S HN 0.077 nan 8.310 nan 0.000 0.479 251 T N 3.274 117.834 114.554 0.009 0.000 2.910 251 T HA 0.381 4.780 4.350 0.083 0.000 0.323 251 T C 0.233 174.938 174.700 0.008 0.000 1.091 251 T CA -0.089 62.016 62.100 0.008 0.000 0.960 251 T CB -0.361 68.514 68.868 0.013 0.000 1.024 251 T HN 0.632 nan 8.240 nan 0.000 0.509 252 M N 2.801 122.402 119.600 0.002 0.000 2.250 252 M HA 0.089 4.619 4.480 0.083 0.000 0.325 252 M C 0.498 176.799 176.300 0.002 0.000 1.084 252 M CA -0.151 55.150 55.300 0.001 0.000 1.161 252 M CB 0.393 32.988 32.600 -0.008 0.000 1.481 252 M HN 0.491 nan 8.290 nan 0.000 0.449 253 D N 1.546 121.955 120.400 0.014 0.000 2.443 253 D HA -0.020 4.670 4.640 0.083 0.000 0.239 253 D C 1.027 177.339 176.300 0.020 0.000 1.136 253 D CA 0.708 54.728 54.000 0.033 0.000 0.879 253 D CB 1.004 41.842 40.800 0.062 0.000 1.195 253 D HN 0.623 nan 8.370 nan 0.000 0.443 254 S N 3.393 119.115 115.700 0.036 0.000 2.359 254 S HA -0.248 4.271 4.470 0.083 0.000 0.224 254 S C 1.973 176.575 174.600 0.004 0.000 1.035 254 S CA 0.691 58.900 58.200 0.015 0.000 1.018 254 S CB -0.732 62.496 63.200 0.047 0.000 0.876 254 S HN 0.645 nan 8.310 nan 0.000 0.448 255 F N 2.889 122.795 119.950 -0.074 0.000 2.171 255 F HA 0.035 4.612 4.527 0.082 0.000 0.300 255 F C 2.414 178.150 175.800 -0.107 0.000 1.090 255 F CA 1.763 59.704 58.000 -0.098 0.000 1.293 255 F CB -0.490 38.473 39.000 -0.062 0.000 1.013 255 F HN 0.223 nan 8.300 nan 0.000 0.486 256 E N 0.561 120.703 120.200 -0.098 0.000 2.150 256 E HA -0.154 4.245 4.350 0.083 0.000 0.193 256 E C 2.268 178.740 176.600 -0.214 0.000 0.985 256 E CA 1.092 57.385 56.400 -0.179 0.000 0.814 256 E CB -0.554 29.131 29.700 -0.025 0.000 0.752 256 E HN 0.550 nan 8.360 nan 0.000 0.466 257 L N -0.477 120.642 121.223 -0.175 0.000 2.027 257 L HA -0.146 4.243 4.340 0.083 0.000 0.206 257 L C 2.126 178.859 176.870 -0.229 0.000 1.074 257 L CA 1.143 55.886 54.840 -0.163 0.000 0.745 257 L CB -0.224 41.727 42.059 -0.180 0.000 0.898 257 L HN 0.109 nan 8.230 nan 0.000 0.433 258 V N -0.271 119.423 119.914 -0.367 0.000 2.343 258 V HA -0.246 3.924 4.120 0.083 0.000 0.247 258 V C 2.680 178.482 176.094 -0.486 0.000 1.051 258 V CA 1.440 63.426 62.300 -0.522 0.000 1.036 258 V CB -0.766 30.539 31.823 -0.863 0.000 0.654 258 V HN 0.431 nan 8.190 nan 0.000 0.451 259 R N -0.072 120.087 120.500 -0.567 0.000 2.096 259 R HA -0.100 4.290 4.340 0.083 0.000 0.235 259 R C 2.387 178.520 176.300 -0.277 0.000 1.127 259 R CA 1.257 57.066 56.100 -0.485 0.000 0.968 259 R CB -0.599 29.320 30.300 -0.635 0.000 0.861 259 R HN 0.451 nan 8.270 nan 0.000 0.440 260 R N 0.168 120.540 120.500 -0.213 0.000 2.115 260 R HA -0.026 4.364 4.340 0.083 0.000 0.230 260 R C 1.856 178.107 176.300 -0.082 0.000 1.111 260 R CA 1.339 57.374 56.100 -0.108 0.000 0.976 260 R CB -0.046 30.226 30.300 -0.046 0.000 0.870 260 R HN 0.169 nan 8.270 nan 0.000 0.445 261 A N -0.041 122.736 122.820 -0.071 0.000 2.169 261 A HA 0.122 4.492 4.320 0.083 0.000 0.212 261 A C 0.416 177.906 177.584 -0.155 0.000 1.153 261 A CA 0.222 52.231 52.037 -0.046 0.000 0.756 261 A CB 0.550 19.628 19.000 0.131 0.000 0.813 261 A HN 0.072 nan 8.150 nan 0.000 0.471 262 V N -0.005 119.796 119.914 -0.189 0.000 2.384 262 V HA 0.460 4.630 4.120 0.083 0.000 0.287 262 V C 1.242 177.208 176.094 -0.214 0.000 1.020 262 V CA 0.000 62.182 62.300 -0.196 0.000 0.850 262 V CB 0.958 32.688 31.823 -0.154 0.000 0.987 262 V HN 0.377 nan 8.190 nan 0.000 0.436 263 A N 4.588 127.210 122.820 -0.331 0.000 2.066 263 A HA 0.122 4.491 4.320 0.083 0.000 0.218 263 A C 0.705 178.044 177.584 -0.410 0.000 1.157 263 A CA 0.944 52.731 52.037 -0.416 0.000 0.670 263 A CB -0.259 18.392 19.000 -0.581 0.000 0.804 263 A HN 0.578 nan 8.150 nan 0.000 0.453 264 F N -0.078 119.805 119.950 -0.112 0.000 2.389 264 F HA 0.364 4.941 4.527 0.083 0.000 0.337 264 F C 0.478 176.236 175.800 -0.070 0.000 1.112 264 F CA -1.089 56.863 58.000 -0.080 0.000 1.192 264 F CB 0.486 39.443 39.000 -0.071 0.000 1.185 264 F HN 0.014 nan 8.300 nan 0.000 0.552 265 D N 1.302 121.801 120.400 0.165 0.000 2.524 265 D HA 0.198 4.888 4.640 0.083 0.000 0.222 265 D C -0.439 175.917 176.300 0.094 0.000 1.142 265 D CA 0.256 54.308 54.000 0.086 0.000 0.973 265 D CB 0.210 41.048 40.800 0.063 0.000 1.025 265 D HN 0.491 nan 8.370 nan 0.000 0.519 266 T N 1.211 115.817 114.554 0.088 0.000 2.865 266 T HA 0.263 4.663 4.350 0.083 0.000 0.294 266 T C -1.003 173.748 174.700 0.084 0.000 1.119 266 T CA -0.851 61.290 62.100 0.068 0.000 1.007 266 T CB 1.163 70.056 68.868 0.043 0.000 1.225 266 T HN 0.343 nan 8.240 nan 0.000 0.515 267 E N 2.346 122.596 120.200 0.083 0.000 2.493 267 E HA 0.216 4.615 4.350 0.083 0.000 0.255 267 E C -0.944 175.748 176.600 0.153 0.000 0.999 267 E CA 0.295 56.761 56.400 0.111 0.000 0.934 267 E CB 0.057 29.807 29.700 0.083 0.000 0.940 267 E HN 0.442 nan 8.360 nan 0.000 0.473 268 I N 4.974 125.673 120.570 0.215 0.000 2.468 268 I HA 0.150 4.370 4.170 0.083 0.000 0.284 268 I C -0.789 175.511 176.117 0.306 0.000 1.038 268 I CA -0.611 60.844 61.300 0.257 0.000 1.083 268 I CB 1.697 39.766 38.000 0.116 0.000 1.223 268 I HN 0.618 nan 8.210 nan 0.000 0.443 269 E N 7.058 127.419 120.200 0.269 0.000 2.182 269 E HA 0.471 4.870 4.350 0.083 0.000 0.258 269 E C -1.392 175.342 176.600 0.223 0.000 0.879 269 E CA -0.746 55.772 56.400 0.197 0.000 0.754 269 E CB 1.889 31.660 29.700 0.117 0.000 1.162 269 E HN 0.234 nan 8.360 nan 0.000 0.419 270 V N 5.682 125.716 119.914 0.199 0.000 2.521 270 V HA -0.012 4.158 4.120 0.083 0.000 0.286 270 V C 1.000 177.155 176.094 0.102 0.000 1.034 270 V CA 0.191 62.598 62.300 0.178 0.000 1.045 270 V CB 0.615 32.525 31.823 0.145 0.000 0.974 270 V HN 0.856 nan 8.190 nan 0.000 0.480 271 L N 3.249 124.514 121.223 0.069 0.000 2.470 271 L HA 0.307 4.696 4.340 0.083 0.000 0.219 271 L C 0.879 177.741 176.870 -0.013 0.000 1.071 271 L CA 0.608 55.450 54.840 0.005 0.000 0.850 271 L CB 0.557 42.587 42.059 -0.048 0.000 1.040 271 L HN 0.692 nan 8.230 nan 0.000 0.475 272 S N -0.893 114.795 115.700 -0.020 0.000 2.537 272 S HA 0.398 4.917 4.470 0.083 0.000 0.271 272 S C -2.070 172.589 174.600 0.098 0.000 1.148 272 S CA -0.640 57.577 58.200 0.028 0.000 0.868 272 S CB 1.886 65.085 63.200 -0.002 0.000 1.115 272 S HN 0.089 nan 8.310 nan 0.000 0.461 273 D N 1.989 122.473 120.400 0.141 0.000 2.386 273 D HA 0.580 5.270 4.640 0.083 0.000 0.247 273 D C -0.874 175.514 176.300 0.148 0.000 1.336 273 D CA -0.024 54.062 54.000 0.142 0.000 0.976 273 D CB 1.344 42.199 40.800 0.092 0.000 1.257 273 D HN 0.615 nan 8.370 nan 0.000 0.570 274 S N 1.892 117.696 115.700 0.174 0.000 2.651 274 S HA 0.720 5.240 4.470 0.083 0.000 0.279 274 S C -0.445 174.238 174.600 0.138 0.000 1.148 274 S CA -0.969 57.310 58.200 0.131 0.000 0.837 274 S CB 2.196 65.455 63.200 0.098 0.000 1.138 274 S HN 0.245 nan 8.310 nan 0.000 0.478 275 E N -0.229 120.070 120.200 0.164 0.000 2.235 275 E HA 0.493 4.893 4.350 0.083 0.000 0.265 275 E C -1.786 175.023 176.600 0.348 0.000 0.940 275 E CA -0.615 55.917 56.400 0.220 0.000 0.819 275 E CB 1.550 31.371 29.700 0.202 0.000 1.206 275 E HN 0.626 nan 8.360 nan 0.000 0.409 276 W N 1.999 123.385 121.300 0.142 0.000 2.715 276 W HA 0.317 5.028 4.660 0.084 0.000 0.331 276 W C -1.531 175.089 176.519 0.168 0.000 1.031 276 W CA -0.775 56.687 57.345 0.195 0.000 1.237 276 W CB 0.621 30.187 29.460 0.176 0.000 1.378 276 W HN 0.505 nan 8.180 nan 0.000 0.454 277 H N 5.942 125.040 119.070 0.046 0.000 2.641 277 H HA 0.396 5.002 4.556 0.082 0.000 0.295 277 H C -0.464 174.641 175.328 -0.371 0.000 1.070 277 H CA -0.614 55.330 56.048 -0.172 0.000 1.257 277 H CB 1.059 30.794 29.762 -0.045 0.000 1.393 277 H HN 0.345 nan 8.280 nan 0.000 0.464 278 L N 3.656 124.537 121.223 -0.570 0.000 2.257 278 L HA 0.428 4.818 4.340 0.083 0.000 0.290 278 L C -0.457 176.281 176.870 -0.221 0.000 1.044 278 L CA 0.048 54.570 54.840 -0.531 0.000 0.810 278 L CB 0.903 42.453 42.059 -0.850 0.000 1.193 278 L HN 0.502 nan 8.230 nan 0.000 0.425 279 T N 4.057 118.589 114.554 -0.037 0.000 2.892 279 T HA 0.355 4.755 4.350 0.083 0.000 0.311 279 T C -0.440 174.354 174.700 0.157 0.000 1.033 279 T CA -0.324 61.781 62.100 0.009 0.000 0.991 279 T CB -0.021 68.864 68.868 0.029 0.000 0.981 279 T HN 0.552 nan 8.240 nan 0.000 0.457 280 H N 3.355 122.475 119.070 0.084 0.000 3.004 280 H HA 0.311 4.917 4.556 0.083 0.000 0.316 280 H C 0.535 175.910 175.328 0.077 0.000 1.014 280 H CA -0.152 55.969 56.048 0.121 0.000 1.454 280 H CB 0.662 30.554 29.762 0.216 0.000 1.472 280 H HN 0.271 nan 8.280 nan 0.000 0.571 281 R N 2.208 122.831 120.500 0.205 0.000 2.707 281 R HA 0.518 4.907 4.340 0.083 0.000 0.272 281 R C -1.602 174.784 176.300 0.143 0.000 1.011 281 R CA -0.929 55.251 56.100 0.134 0.000 0.893 281 R CB 2.540 32.906 30.300 0.109 0.000 1.233 281 R HN 0.254 nan 8.270 nan 0.000 0.464 282 V N 1.406 121.401 119.914 0.135 0.000 2.623 282 V HA 0.506 4.676 4.120 0.083 0.000 0.304 282 V C -0.198 176.011 176.094 0.191 0.000 1.054 282 V CA -1.022 61.397 62.300 0.197 0.000 0.882 282 V CB 1.843 33.788 31.823 0.204 0.000 1.002 282 V HN 0.978 nan 8.190 nan 0.000 0.424 283 A N 2.482 125.447 122.820 0.243 0.000 2.511 283 A HA 0.228 4.598 4.320 0.083 0.000 0.242 283 A C 1.048 178.772 177.584 0.233 0.000 1.069 283 A CA -0.028 52.139 52.037 0.216 0.000 0.763 283 A CB 0.004 19.114 19.000 0.185 0.000 1.001 283 A HN 0.890 nan 8.150 nan 0.000 0.498 284 D N 0.271 120.743 120.400 0.120 0.000 2.218 284 D HA -0.009 4.681 4.640 0.083 0.000 0.204 284 D C 0.589 176.910 176.300 0.036 0.000 0.976 284 D CA 1.890 55.925 54.000 0.057 0.000 0.853 284 D CB 0.219 41.038 40.800 0.031 0.000 0.939 284 D HN 0.408 nan 8.370 nan 0.000 0.481 285 S N -1.472 114.290 115.700 0.105 0.000 2.546 285 S HA 0.349 4.869 4.470 0.083 0.000 0.274 285 S C -0.607 174.185 174.600 0.320 0.000 1.121 285 S CA -0.633 57.619 58.200 0.086 0.000 0.887 285 S CB 0.653 63.869 63.200 0.026 0.000 1.094 285 S HN -0.176 nan 8.310 nan 0.000 0.474 286 F N 2.465 122.375 119.950 -0.066 0.000 2.664 286 F HA 0.398 4.974 4.527 0.082 0.000 0.303 286 F C 1.166 176.952 175.800 -0.023 0.000 1.092 286 F CA -0.121 57.864 58.000 -0.024 0.000 1.305 286 F CB -0.231 38.715 39.000 -0.090 0.000 1.054 286 F HN 0.603 nan 8.300 nan 0.000 0.565 287 S N -0.648 115.053 115.700 0.002 0.000 2.595 287 S HA 0.831 5.351 4.470 0.083 0.000 0.270 287 S C -1.272 173.176 174.600 -0.253 0.000 1.145 287 S CA -0.526 57.465 58.200 -0.347 0.000 0.825 287 S CB 1.758 64.396 63.200 -0.937 0.000 1.107 287 S HN 0.251 nan 8.310 nan 0.000 0.461 288 A N 0.831 123.475 122.820 -0.293 0.000 2.547 288 A HA 0.848 5.217 4.320 0.083 0.000 0.279 288 A C 0.840 178.331 177.584 -0.156 0.000 1.088 288 A CA 0.243 52.188 52.037 -0.154 0.000 0.796 288 A CB 0.211 19.173 19.000 -0.064 0.000 1.308 288 A HN 2.781 nan 8.150 nan 0.000 0.415 289 G N 2.379 111.105 108.800 -0.124 0.000 2.561 289 G HA2 -0.304 3.705 3.960 0.083 0.000 0.289 289 G HA3 -0.304 3.705 3.960 0.083 0.000 0.289 289 G C 0.602 175.471 174.900 -0.052 0.000 1.169 289 G CA 0.685 45.746 45.100 -0.065 0.000 0.980 289 G HN 1.008 nan 8.290 nan 0.000 0.550 290 R N -0.314 120.195 120.500 0.015 0.000 2.426 290 R HA 0.432 4.821 4.340 0.083 0.000 0.263 290 R C -0.176 176.249 176.300 0.208 0.000 0.961 290 R CA 0.051 56.269 56.100 0.197 0.000 1.086 290 R CB 0.582 30.895 30.300 0.023 0.000 1.186 290 R HN 0.253 nan 8.270 nan 0.000 0.537 291 V N 1.598 121.481 119.914 -0.052 0.000 2.384 291 V HA 0.380 4.549 4.120 0.083 0.000 0.287 291 V C -0.537 175.425 176.094 -0.219 0.000 1.020 291 V CA -0.608 61.630 62.300 -0.102 0.000 0.850 291 V CB 1.060 32.720 31.823 -0.273 0.000 0.987 291 V HN -0.002 nan 8.190 nan 0.000 0.436 292 F N 4.260 124.165 119.950 -0.075 0.000 2.523 292 F HA 0.708 5.286 4.527 0.086 0.000 0.329 292 F C 0.013 175.770 175.800 -0.073 0.000 1.061 292 F CA -0.920 57.054 58.000 -0.044 0.000 0.967 292 F CB 1.731 40.665 39.000 -0.111 0.000 1.218 292 F HN 0.190 nan 8.300 nan 0.000 0.480 293 L N 1.690 122.993 121.223 0.134 0.000 2.346 293 L HA 0.772 5.162 4.340 0.083 0.000 0.276 293 L C -0.371 176.458 176.870 -0.068 0.000 1.006 293 L CA -0.628 54.191 54.840 -0.036 0.000 0.817 293 L CB 2.041 44.016 42.059 -0.140 0.000 1.272 293 L HN 0.758 nan 8.230 nan 0.000 0.421 294 T N -0.820 113.651 114.554 -0.139 0.000 2.894 294 T HA 0.811 5.211 4.350 0.083 0.000 0.309 294 T C 0.001 174.570 174.700 -0.218 0.000 1.208 294 T CA 0.009 62.016 62.100 -0.154 0.000 1.016 294 T CB 2.080 70.901 68.868 -0.079 0.000 1.192 294 T HN 1.181 nan 8.240 nan 0.000 0.491 295 G N 2.334 110.968 108.800 -0.276 0.000 2.584 295 G HA2 -0.196 3.814 3.960 0.083 0.000 0.229 295 G HA3 -0.196 3.814 3.960 0.083 0.000 0.229 295 G C 0.180 174.930 174.900 -0.250 0.000 1.320 295 G CA 0.456 45.461 45.100 -0.160 0.000 0.891 295 G HN 0.797 nan 8.290 nan 0.000 0.573 296 D N 0.477 120.843 120.400 -0.057 0.000 2.221 296 D HA 0.072 4.762 4.640 0.083 0.000 0.204 296 D C 2.681 178.940 176.300 -0.070 0.000 0.982 296 D CA 2.145 56.146 54.000 0.002 0.000 0.857 296 D CB -0.621 40.229 40.800 0.082 0.000 0.934 296 D HN 0.942 nan 8.370 nan 0.000 0.475 297 A N 0.454 123.202 122.820 -0.119 0.000 2.019 297 A HA -0.010 4.359 4.320 0.083 0.000 0.219 297 A C 2.208 179.664 177.584 -0.213 0.000 1.164 297 A CA 2.025 53.990 52.037 -0.118 0.000 0.644 297 A CB -0.309 18.628 19.000 -0.105 0.000 0.805 297 A HN 0.266 nan 8.150 nan 0.000 0.449 298 A N -0.919 121.636 122.820 -0.442 0.000 1.973 298 A HA 0.361 4.730 4.320 0.083 0.000 0.210 298 A C 0.672 177.981 177.584 -0.458 0.000 1.200 298 A CA 1.028 52.610 52.037 -0.760 0.000 0.707 298 A CB -0.083 18.012 19.000 -1.509 0.000 0.862 298 A HN 0.829 nan 8.150 nan 0.000 0.461 299 H N -2.050 116.928 119.070 -0.154 0.000 3.224 299 H HA 0.550 5.155 4.556 0.082 0.000 0.331 299 H C -1.363 173.985 175.328 0.034 0.000 1.002 299 H CA -0.751 55.294 56.048 -0.004 0.000 1.473 299 H CB -0.441 29.352 29.762 0.051 0.000 1.830 299 H HN -0.137 nan 8.280 nan 0.000 0.485 300 T N 5.597 120.277 114.554 0.210 0.000 2.762 300 T HA 0.466 4.866 4.350 0.083 0.000 0.303 300 T C 0.325 175.130 174.700 0.176 0.000 0.977 300 T CA -0.506 61.721 62.100 0.212 0.000 0.961 300 T CB 0.010 69.003 68.868 0.209 0.000 0.944 300 T HN 0.448 nan 8.240 nan 0.000 0.481 301 L N 1.135 122.442 121.223 0.140 0.000 2.293 301 L HA 0.633 5.022 4.340 0.083 0.000 0.264 301 L C 0.860 177.701 176.870 -0.049 0.000 1.029 301 L CA -1.340 53.476 54.840 -0.040 0.000 0.897 301 L CB 0.863 42.975 42.059 0.088 0.000 1.497 301 L HN 0.431 nan 8.230 nan 0.000 0.495 302 S N 1.517 117.122 115.700 -0.157 0.000 2.533 302 S HA 0.154 4.674 4.470 0.083 0.000 0.282 302 S C -1.585 173.133 174.600 0.196 0.000 1.304 302 S CA -0.991 57.233 58.200 0.040 0.000 1.063 302 S CB 0.540 63.712 63.200 -0.046 0.000 0.881 302 S HN 0.412 nan 8.310 nan 0.000 0.493 303 P HA 0.058 nan 4.420 nan 0.000 0.249 303 P C 0.217 177.592 177.300 0.125 0.000 1.229 303 P CA -0.033 63.204 63.100 0.229 0.000 0.788 303 P CB -0.050 31.867 31.700 0.362 0.000 1.072 304 S N 0.739 116.489 115.700 0.083 0.000 2.546 304 S HA 0.291 4.811 4.470 0.083 0.000 0.290 304 S C 1.528 176.125 174.600 -0.005 0.000 1.262 304 S CA 0.766 58.961 58.200 -0.009 0.000 1.083 304 S CB -1.319 61.847 63.200 -0.056 0.000 0.859 304 S HN 0.460 nan 8.310 nan 0.000 0.495 305 G N 3.524 112.292 108.800 -0.053 0.000 2.168 305 G HA2 -0.149 3.861 3.960 0.083 0.000 0.257 305 G HA3 -0.149 3.861 3.960 0.083 0.000 0.257 305 G C 1.188 176.150 174.900 0.104 0.000 0.997 305 G CA 0.584 45.684 45.100 -0.001 0.000 0.708 305 G HN 2.241 nan 8.290 nan 0.000 0.520 306 G N -1.465 107.393 108.800 0.096 0.000 2.168 306 G HA2 -0.259 3.750 3.960 0.083 0.000 0.257 306 G HA3 -0.259 3.750 3.960 0.083 0.000 0.257 306 G C 0.993 175.957 174.900 0.106 0.000 0.997 306 G CA 1.015 46.175 45.100 0.100 0.000 0.708 306 G HN 1.479 nan 8.290 nan 0.000 0.520 307 F N 1.517 121.455 119.950 -0.020 0.000 2.087 307 F HA -0.047 4.531 4.527 0.085 0.000 0.299 307 F C 2.483 178.262 175.800 -0.035 0.000 1.100 307 F CA 3.115 61.079 58.000 -0.059 0.000 1.226 307 F CB -0.584 38.352 39.000 -0.107 0.000 0.983 307 F HN 0.176 nan 8.300 nan 0.000 0.479 308 G N -0.073 108.786 108.800 0.097 0.000 2.446 308 G HA2 -0.339 3.671 3.960 0.083 0.000 0.217 308 G HA3 -0.339 3.671 3.960 0.083 0.000 0.217 308 G C 1.726 176.617 174.900 -0.015 0.000 1.168 308 G CA 0.936 46.059 45.100 0.039 0.000 0.771 308 G HN 0.472 nan 8.290 nan 0.000 0.551 309 M N 0.443 120.053 119.600 0.017 0.000 2.132 309 M HA -0.031 4.499 4.480 0.083 0.000 0.263 309 M C 2.301 178.593 176.300 -0.014 0.000 1.065 309 M CA 1.278 56.594 55.300 0.027 0.000 1.122 309 M CB -0.176 32.454 32.600 0.049 0.000 1.365 309 M HN 0.111 nan 8.290 nan 0.000 0.411 310 N N -0.088 118.567 118.700 -0.075 0.000 2.120 310 N HA -0.125 4.664 4.740 0.083 0.000 0.188 310 N C 1.553 176.950 175.510 -0.189 0.000 1.024 310 N CA 2.083 55.065 53.050 -0.114 0.000 0.852 310 N CB -0.769 37.644 38.487 -0.124 0.000 1.003 310 N HN 0.411 nan 8.380 nan 0.000 0.424 311 T N -0.056 114.286 114.554 -0.353 0.000 2.821 311 T HA -0.047 4.353 4.350 0.083 0.000 0.267 311 T C 1.926 176.591 174.700 -0.058 0.000 1.046 311 T CA 1.303 63.182 62.100 -0.370 0.000 1.139 311 T CB -0.573 67.885 68.868 -0.684 0.000 0.871 311 T HN 0.379 nan 8.240 nan 0.000 0.454 312 G N 1.294 110.127 108.800 0.055 0.000 2.402 312 G HA2 -0.104 3.905 3.960 0.083 0.000 0.216 312 G HA3 -0.104 3.905 3.960 0.083 0.000 0.216 312 G C 1.518 176.488 174.900 0.117 0.000 1.162 312 G CA 0.356 45.566 45.100 0.184 0.000 0.777 312 G HN 0.480 nan 8.290 nan 0.000 0.539 313 I N 1.230 121.843 120.570 0.072 0.000 2.315 313 I HA -0.070 4.150 4.170 0.083 0.000 0.248 313 I C 3.024 179.217 176.117 0.125 0.000 1.117 313 I CA 0.956 62.309 61.300 0.089 0.000 1.404 313 I CB -0.314 37.693 38.000 0.011 0.000 1.071 313 I HN 0.251 nan 8.210 nan 0.000 0.419 314 G N -0.309 108.534 108.800 0.073 0.000 2.422 314 G HA2 -0.187 3.823 3.960 0.083 0.000 0.218 314 G HA3 -0.187 3.823 3.960 0.083 0.000 0.218 314 G C 1.750 176.771 174.900 0.202 0.000 1.140 314 G CA 0.779 45.947 45.100 0.114 0.000 0.775 314 G HN 0.335 nan 8.290 nan 0.000 0.545 315 S N 0.788 116.620 115.700 0.220 0.000 2.406 315 S HA 0.112 4.631 4.470 0.083 0.000 0.228 315 S C 2.744 177.494 174.600 0.250 0.000 1.020 315 S CA 0.905 59.305 58.200 0.334 0.000 0.965 315 S CB -0.177 63.284 63.200 0.435 0.000 0.798 315 S HN 0.552 nan 8.310 nan 0.000 0.488 316 A N 1.610 124.520 122.820 0.150 0.000 1.898 316 A HA 0.137 4.507 4.320 0.083 0.000 0.216 316 A C 2.318 179.955 177.584 0.089 0.000 1.181 316 A CA 1.604 53.665 52.037 0.039 0.000 0.620 316 A CB -0.968 18.038 19.000 0.010 0.000 0.819 316 A HN 0.502 nan 8.150 nan 0.000 0.442 317 A N -0.307 122.669 122.820 0.260 0.000 1.969 317 A HA -0.133 4.237 4.320 0.083 0.000 0.218 317 A C 1.795 179.594 177.584 0.358 0.000 1.169 317 A CA 2.017 54.286 52.037 0.386 0.000 0.635 317 A CB -0.583 18.670 19.000 0.421 0.000 0.810 317 A HN 0.567 nan 8.150 nan 0.000 0.445 318 D N -0.720 119.866 120.400 0.310 0.000 2.097 318 D HA -0.125 4.565 4.640 0.083 0.000 0.197 318 D C 1.764 178.050 176.300 -0.024 0.000 0.984 318 D CA 1.172 55.373 54.000 0.335 0.000 0.826 318 D CB -0.129 40.864 40.800 0.322 0.000 0.973 318 D HN 0.226 nan 8.370 nan 0.000 0.460 319 L N 0.145 121.248 121.223 -0.201 0.000 2.093 319 L HA 0.145 4.535 4.340 0.083 0.000 0.208 319 L C 2.193 178.776 176.870 -0.477 0.000 1.085 319 L CA 2.076 56.545 54.840 -0.617 0.000 0.755 319 L CB -1.053 40.404 42.059 -1.002 0.000 0.904 319 L HN 0.162 nan 8.230 nan 0.000 0.435 320 G N 0.100 108.764 108.800 -0.228 0.000 2.476 320 G HA2 -0.330 3.679 3.960 0.083 0.000 0.218 320 G HA3 -0.330 3.679 3.960 0.083 0.000 0.218 320 G C 1.408 176.284 174.900 -0.040 0.000 1.164 320 G CA 1.023 46.043 45.100 -0.134 0.000 0.768 320 G HN 0.722 nan 8.290 nan 0.000 0.560 321 W N 1.128 122.385 121.300 -0.072 0.000 2.436 321 W HA 0.182 4.891 4.660 0.082 0.000 0.284 321 W C 1.786 178.223 176.519 -0.137 0.000 1.225 321 W CA 0.876 58.197 57.345 -0.039 0.000 1.271 321 W CB -0.436 29.047 29.460 0.039 0.000 1.114 321 W HN 0.202 nan 8.180 nan 0.000 0.559 322 K N 0.961 120.870 120.400 -0.818 0.000 2.155 322 K HA -0.043 4.326 4.320 0.083 0.000 0.203 322 K C 2.314 178.522 176.600 -0.653 0.000 1.052 322 K CA 1.299 57.020 56.287 -0.943 0.000 0.948 322 K CB -0.277 31.611 32.500 -1.019 0.000 0.728 322 K HN 0.162 nan 8.250 nan 0.000 0.448 323 L N 0.445 121.301 121.223 -0.612 0.000 2.027 323 L HA -0.140 4.249 4.340 0.083 0.000 0.206 323 L C 2.573 179.210 176.870 -0.389 0.000 1.074 323 L CA 1.062 55.527 54.840 -0.625 0.000 0.745 323 L CB -0.506 41.171 42.059 -0.636 0.000 0.898 323 L HN 0.188 nan 8.230 nan 0.000 0.433 324 A N -0.013 122.657 122.820 -0.250 0.000 1.902 324 A HA -0.193 4.177 4.320 0.083 0.000 0.217 324 A C 2.486 179.943 177.584 -0.212 0.000 1.181 324 A CA 1.773 53.738 52.037 -0.121 0.000 0.623 324 A CB -0.709 18.304 19.000 0.021 0.000 0.818 324 A HN 0.417 nan 8.150 nan 0.000 0.443 325 A N -1.132 121.444 122.820 -0.405 0.000 1.933 325 A HA -0.056 4.314 4.320 0.083 0.000 0.218 325 A C 2.282 179.373 177.584 -0.822 0.000 1.175 325 A CA 2.228 53.641 52.037 -1.041 0.000 0.628 325 A CB -1.066 17.075 19.000 -1.430 0.000 0.814 325 A HN 0.437 nan 8.150 nan 0.000 0.444 326 T N 0.243 114.497 114.554 -0.499 0.000 2.812 326 T HA 0.004 4.404 4.350 0.083 0.000 0.264 326 T C 1.813 176.428 174.700 -0.142 0.000 1.042 326 T CA 1.227 63.152 62.100 -0.292 0.000 1.140 326 T CB -0.319 68.404 68.868 -0.241 0.000 0.870 326 T HN 0.340 nan 8.240 nan 0.000 0.445 327 L N 0.501 121.659 121.223 -0.108 0.000 2.046 327 L HA -0.056 4.334 4.340 0.083 0.000 0.208 327 L C 2.805 179.668 176.870 -0.011 0.000 1.077 327 L CA 1.341 56.183 54.840 0.003 0.000 0.747 327 L CB -0.392 41.683 42.059 0.026 0.000 0.896 327 L HN 0.123 nan 8.230 nan 0.000 0.432 328 R N -0.425 120.044 120.500 -0.051 0.000 2.280 328 R HA -0.005 4.385 4.340 0.083 0.000 0.207 328 R C 1.480 177.817 176.300 0.061 0.000 1.043 328 R CA 0.718 56.846 56.100 0.045 0.000 1.006 328 R CB -0.019 30.384 30.300 0.170 0.000 0.885 328 R HN 0.548 nan 8.270 nan 0.000 0.467 329 G N 0.484 109.265 108.800 -0.032 0.000 2.195 329 G HA2 -0.210 3.799 3.960 0.083 0.000 0.246 329 G HA3 -0.210 3.799 3.960 0.083 0.000 0.246 329 G C 0.514 175.482 174.900 0.115 0.000 0.984 329 G CA 0.265 45.380 45.100 0.026 0.000 0.633 329 G HN 0.598 nan 8.290 nan 0.000 0.525 330 W N 0.478 121.834 121.300 0.093 0.000 3.003 330 W HA 0.697 5.404 4.660 0.078 0.000 0.257 330 W C 0.811 177.395 176.519 0.109 0.000 1.308 330 W CA 0.206 57.622 57.345 0.119 0.000 1.529 330 W CB -0.555 29.005 29.460 0.166 0.000 1.115 330 W HN 0.769 nan 8.180 nan 0.000 0.659 331 A N 2.114 124.841 122.820 -0.156 0.000 2.351 331 A HA 0.532 4.902 4.320 0.083 0.000 0.257 331 A C 0.668 178.253 177.584 0.003 0.000 1.087 331 A CA 0.301 52.247 52.037 -0.153 0.000 0.798 331 A CB 0.065 18.816 19.000 -0.414 0.000 1.033 331 A HN 0.244 nan 8.150 nan 0.000 0.488 332 G N 0.441 109.266 108.800 0.041 0.000 2.572 332 G HA2 0.448 4.458 3.960 0.083 0.000 0.261 332 G HA3 0.448 4.458 3.960 0.083 0.000 0.261 332 G C -1.090 173.811 174.900 0.002 0.000 1.197 332 G CA -0.749 44.373 45.100 0.038 0.000 0.870 332 G HN 0.530 nan 8.290 nan 0.000 0.548 333 P HA -0.059 nan 4.420 nan 0.000 0.222 333 P C 1.427 178.732 177.300 0.007 0.000 1.147 333 P CA 1.437 64.544 63.100 0.011 0.000 0.790 333 P CB 0.201 31.913 31.700 0.020 0.000 0.780 334 G N -0.508 108.296 108.800 0.006 0.000 3.042 334 G HA2 -0.020 3.990 3.960 0.083 0.000 0.212 334 G HA3 -0.020 3.990 3.960 0.083 0.000 0.212 334 G C 1.281 176.171 174.900 -0.016 0.000 1.166 334 G CA -0.146 44.956 45.100 0.004 0.000 0.767 334 G HN 0.155 nan 8.290 nan 0.000 0.546 335 L N 0.520 121.714 121.223 -0.049 0.000 2.017 335 L HA 0.084 4.474 4.340 0.083 0.000 0.208 335 L C 2.615 179.388 176.870 -0.161 0.000 1.073 335 L CA 1.519 56.289 54.840 -0.117 0.000 0.745 335 L CB -0.380 41.563 42.059 -0.192 0.000 0.894 335 L HN 0.188 nan 8.230 nan 0.000 0.432 336 L N -0.730 120.412 121.223 -0.135 0.000 2.127 336 L HA -0.199 4.191 4.340 0.083 0.000 0.211 336 L C 2.545 179.475 176.870 0.101 0.000 1.089 336 L CA 1.061 55.851 54.840 -0.084 0.000 0.757 336 L CB -0.776 41.277 42.059 -0.010 0.000 0.899 336 L HN 0.398 nan 8.230 nan 0.000 0.434 337 A N -0.185 122.676 122.820 0.068 0.000 2.067 337 A HA -0.181 4.189 4.320 0.083 0.000 0.219 337 A C 2.331 179.931 177.584 0.028 0.000 1.158 337 A CA 1.827 53.904 52.037 0.067 0.000 0.661 337 A CB -0.775 18.239 19.000 0.023 0.000 0.801 337 A HN 0.528 nan 8.150 nan 0.000 0.452 338 T N -3.831 110.717 114.554 -0.009 0.000 3.072 338 T HA -0.153 4.246 4.350 0.083 0.000 0.266 338 T C 1.631 176.302 174.700 -0.048 0.000 1.127 338 T CA 1.199 63.271 62.100 -0.047 0.000 1.107 338 T CB -0.520 68.312 68.868 -0.061 0.000 0.910 338 T HN 0.498 nan 8.240 nan 0.000 0.513 339 Y N 2.244 122.477 120.300 -0.112 0.000 2.114 339 Y HA -0.051 4.549 4.550 0.084 0.000 0.284 339 Y C 2.360 178.260 175.900 0.001 0.000 1.143 339 Y CA 1.735 59.793 58.100 -0.070 0.000 1.135 339 Y CB -0.607 37.847 38.460 -0.010 0.000 0.980 339 Y HN 0.355 nan 8.280 nan 0.000 0.499 340 E N -0.000 120.057 120.200 -0.238 0.000 2.072 340 E HA -0.259 4.141 4.350 0.083 0.000 0.191 340 E C 2.282 178.633 176.600 -0.414 0.000 0.985 340 E CA 1.205 57.293 56.400 -0.520 0.000 0.801 340 E CB -0.304 29.164 29.700 -0.386 0.000 0.750 340 E HN 0.702 nan 8.360 nan 0.000 0.452 341 E N 0.147 120.211 120.200 -0.227 0.000 2.097 341 E HA -0.248 4.152 4.350 0.083 0.000 0.196 341 E C 1.750 178.263 176.600 -0.145 0.000 1.000 341 E CA 1.605 57.909 56.400 -0.160 0.000 0.804 341 E CB 0.098 29.744 29.700 -0.090 0.000 0.740 341 E HN 0.368 nan 8.360 nan 0.000 0.454 342 E N -0.859 119.227 120.200 -0.190 0.000 2.166 342 E HA -0.017 4.383 4.350 0.083 0.000 0.192 342 E C 2.186 178.724 176.600 -0.103 0.000 0.967 342 E CA 0.094 56.362 56.400 -0.219 0.000 0.840 342 E CB 0.235 29.540 29.700 -0.657 0.000 0.795 342 E HN 0.063 nan 8.360 nan 0.000 0.470 343 R N 0.713 121.123 120.500 -0.150 0.000 2.140 343 R HA 0.088 4.478 4.340 0.083 0.000 0.213 343 R C 2.134 178.424 176.300 -0.017 0.000 1.059 343 R CA 0.423 56.512 56.100 -0.018 0.000 1.000 343 R CB -0.388 29.944 30.300 0.054 0.000 0.910 343 R HN 0.067 nan 8.270 nan 0.000 0.455 344 R N 1.127 121.453 120.500 -0.291 0.000 2.081 344 R HA -0.077 4.313 4.340 0.083 0.000 0.235 344 R C -0.807 175.422 176.300 -0.118 0.000 1.131 344 R CA 1.382 57.261 56.100 -0.369 0.000 0.960 344 R CB -0.852 28.951 30.300 -0.828 0.000 0.856 344 R HN 0.099 nan 8.270 nan 0.000 0.436 345 P HA -0.110 nan 4.420 nan 0.000 0.218 345 P C 1.178 178.468 177.300 -0.017 0.000 1.149 345 P CA 0.970 64.065 63.100 -0.008 0.000 0.817 345 P CB 0.102 31.842 31.700 0.067 0.000 0.785 346 V N 0.234 120.078 119.914 -0.116 0.000 2.287 346 V HA -0.281 3.889 4.120 0.083 0.000 0.248 346 V C 2.431 178.479 176.094 -0.076 0.000 1.053 346 V CA 2.359 64.504 62.300 -0.258 0.000 1.027 346 V CB -1.716 29.889 31.823 -0.363 0.000 0.646 346 V HN 0.115 nan 8.190 nan 0.000 0.447 347 A N 0.174 122.963 122.820 -0.052 0.000 1.855 347 A HA -0.136 4.234 4.320 0.083 0.000 0.215 347 A C 2.161 179.771 177.584 0.043 0.000 1.191 347 A CA 1.728 53.761 52.037 -0.008 0.000 0.613 347 A CB -0.505 18.546 19.000 0.085 0.000 0.829 347 A HN 0.374 nan 8.150 nan 0.000 0.442 348 I N 0.324 120.917 120.570 0.038 0.000 2.118 348 I HA -0.226 3.993 4.170 0.083 0.000 0.241 348 I C 2.564 178.695 176.117 0.024 0.000 1.070 348 I CA 2.247 63.564 61.300 0.028 0.000 1.327 348 I CB -2.049 35.957 38.000 0.010 0.000 1.034 348 I HN 0.256 nan 8.210 nan 0.000 0.405 349 T N 1.041 115.612 114.554 0.027 0.000 2.759 349 T HA -0.164 4.236 4.350 0.083 0.000 0.269 349 T C 2.057 176.756 174.700 -0.001 0.000 1.042 349 T CA 1.979 64.096 62.100 0.029 0.000 1.140 349 T CB -0.351 68.555 68.868 0.064 0.000 0.864 349 T HN 0.580 nan 8.240 nan 0.000 0.455 350 S N 1.451 117.147 115.700 -0.008 0.000 2.399 350 S HA -0.002 4.518 4.470 0.083 0.000 0.231 350 S C 2.078 176.620 174.600 -0.097 0.000 1.022 350 S CA 0.774 58.904 58.200 -0.116 0.000 0.983 350 S CB -0.701 62.464 63.200 -0.059 0.000 0.803 350 S HN 0.474 nan 8.310 nan 0.000 0.480 351 L N 0.960 122.184 121.223 0.000 0.000 2.109 351 L HA 0.020 4.409 4.340 0.083 0.000 0.207 351 L C 2.809 179.773 176.870 0.157 0.000 1.086 351 L CA 1.470 56.373 54.840 0.106 0.000 0.760 351 L CB -0.606 41.504 42.059 0.086 0.000 0.910 351 L HN 0.378 nan 8.230 nan 0.000 0.437 352 E N 0.117 120.357 120.200 0.066 0.000 2.331 352 E HA -0.123 4.277 4.350 0.083 0.000 0.199 352 E C -0.168 176.455 176.600 0.040 0.000 1.008 352 E CA 0.258 56.693 56.400 0.059 0.000 0.843 352 E CB 0.106 29.821 29.700 0.026 0.000 0.761 352 E HN 0.419 nan 8.360 nan 0.000 0.507 365 E N 0.181 120.397 120.200 0.026 0.000 2.416 365 E HA 0.699 5.098 4.350 0.083 0.000 0.254 365 E C -0.103 176.520 176.600 0.037 0.000 1.241 365 E CA 0.267 56.687 56.400 0.033 0.000 0.969 365 E CB 0.296 30.008 29.700 0.020 0.000 0.999 365 E HN 0.411 nan 8.360 nan 0.000 0.481 366 L N 1.561 122.809 121.223 0.042 0.000 2.282 366 L HA 0.413 4.802 4.340 0.083 0.000 0.288 366 L C -2.048 174.838 176.870 0.026 0.000 1.033 366 L CA -1.606 53.264 54.840 0.050 0.000 0.807 366 L CB 1.105 43.209 42.059 0.076 0.000 1.209 366 L HN 0.478 nan 8.230 nan 0.000 0.423 367 P HA 0.171 nan 4.420 nan 0.000 0.267 367 P C -2.472 174.830 177.300 0.004 0.000 1.200 367 P CA -0.740 62.366 63.100 0.011 0.000 0.772 367 P CB -0.123 31.584 31.700 0.012 0.000 0.855 368 P HA 0.173 nan 4.420 nan 0.000 0.271 368 P C 0.775 178.067 177.300 -0.013 0.000 1.218 368 P CA 0.598 63.685 63.100 -0.021 0.000 0.780 368 P CB 0.392 32.081 31.700 -0.019 0.000 0.901 369 G N 1.578 110.365 108.800 -0.022 0.000 2.148 369 G HA2 -0.307 3.703 3.960 0.083 0.000 0.254 369 G HA3 -0.307 3.703 3.960 0.083 0.000 0.254 369 G C 0.680 175.597 174.900 0.028 0.000 0.981 369 G CA 0.268 45.365 45.100 -0.005 0.000 0.670 369 G HN 0.570 nan 8.290 nan 0.000 0.528 370 L N 0.309 121.572 121.223 0.066 0.000 2.127 370 L HA 0.074 4.464 4.340 0.083 0.000 0.211 370 L C 2.132 179.159 176.870 0.262 0.000 1.089 370 L CA 2.650 57.587 54.840 0.161 0.000 0.757 370 L CB -0.403 41.797 42.059 0.235 0.000 0.899 370 L HN 0.594 nan 8.230 nan 0.000 0.434 371 H N -1.857 117.219 119.070 0.010 0.000 2.529 371 H HA 0.156 4.762 4.556 0.083 0.000 0.277 371 H C -0.248 175.095 175.328 0.025 0.000 1.004 371 H CA -0.624 55.457 56.048 0.054 0.000 1.167 371 H CB 0.100 29.901 29.762 0.065 0.000 1.445 371 H HN 0.301 nan 8.280 nan 0.000 0.554 372 D N 0.915 121.349 120.400 0.057 0.000 2.414 372 D HA -0.035 4.655 4.640 0.083 0.000 0.242 372 D C 0.651 176.868 176.300 -0.139 0.000 1.129 372 D CA 0.177 54.171 54.000 -0.010 0.000 0.885 372 D CB 1.058 41.845 40.800 -0.022 0.000 1.198 372 D HN 0.180 nan 8.370 nan 0.000 0.437 373 D N 0.500 120.890 120.400 -0.017 0.000 2.162 373 D HA 0.057 4.747 4.640 0.083 0.000 0.203 373 D C 1.319 177.594 176.300 -0.042 0.000 0.967 373 D CA 0.600 54.607 54.000 0.012 0.000 0.840 373 D CB -0.295 40.578 40.800 0.122 0.000 0.972 373 D HN 0.453 nan 8.370 nan 0.000 0.482 374 G N 0.827 109.611 108.800 -0.027 0.000 2.794 374 G HA2 0.048 4.057 3.960 0.083 0.000 0.249 374 G HA3 0.048 4.057 3.960 0.083 0.000 0.249 374 G C -1.638 173.239 174.900 -0.038 0.000 1.236 374 G CA -0.716 44.372 45.100 -0.020 0.000 0.880 374 G HN 0.043 nan 8.290 nan 0.000 0.586 375 P HA 0.021 nan 4.420 nan 0.000 0.230 375 P C 1.758 179.044 177.300 -0.024 0.000 1.158 375 P CA 0.541 63.630 63.100 -0.019 0.000 0.769 375 P CB 0.190 31.887 31.700 -0.006 0.000 0.807 376 R N -0.147 120.338 120.500 -0.025 0.000 2.062 376 R HA -0.018 4.372 4.340 0.083 0.000 0.229 376 R C 2.301 178.582 176.300 -0.033 0.000 1.128 376 R CA 1.651 57.737 56.100 -0.023 0.000 0.960 376 R CB -1.064 29.225 30.300 -0.017 0.000 0.855 376 R HN 0.130 nan 8.270 nan 0.000 0.432 377 G N 0.178 108.946 108.800 -0.053 0.000 2.422 377 G HA2 -0.290 3.719 3.960 0.083 0.000 0.218 377 G HA3 -0.290 3.719 3.960 0.083 0.000 0.218 377 G C 1.260 176.109 174.900 -0.085 0.000 1.140 377 G CA 0.776 45.833 45.100 -0.073 0.000 0.775 377 G HN 0.383 nan 8.290 nan 0.000 0.545 378 E N 0.338 120.484 120.200 -0.090 0.000 2.077 378 E HA -0.091 4.309 4.350 0.083 0.000 0.193 378 E C 2.425 179.011 176.600 -0.023 0.000 0.989 378 E CA 1.029 57.392 56.400 -0.062 0.000 0.800 378 E CB -0.176 29.500 29.700 -0.040 0.000 0.746 378 E HN 0.454 nan 8.360 nan 0.000 0.452 379 R N -0.063 120.425 120.500 -0.020 0.000 2.115 379 R HA -0.032 4.358 4.340 0.083 0.000 0.226 379 R C 2.130 178.425 176.300 -0.009 0.000 1.100 379 R CA 1.224 57.318 56.100 -0.010 0.000 0.980 379 R CB -0.185 30.109 30.300 -0.010 0.000 0.875 379 R HN 0.254 nan 8.270 nan 0.000 0.445 380 I N 0.318 120.881 120.570 -0.011 0.000 2.202 380 I HA -0.231 3.988 4.170 0.083 0.000 0.242 380 I C 2.392 178.511 176.117 0.005 0.000 1.091 380 I CA 1.263 62.560 61.300 -0.004 0.000 1.368 380 I CB -0.274 37.726 38.000 -0.001 0.000 1.058 380 I HN 0.171 nan 8.210 nan 0.000 0.410 381 R N 0.930 121.436 120.500 0.010 0.000 2.081 381 R HA -0.143 4.246 4.340 0.083 0.000 0.235 381 R C 2.491 178.807 176.300 0.027 0.000 1.131 381 R CA 1.477 57.597 56.100 0.033 0.000 0.960 381 R CB -0.546 29.779 30.300 0.041 0.000 0.856 381 R HN 0.372 nan 8.270 nan 0.000 0.436 382 A N 1.508 124.339 122.820 0.018 0.000 1.883 382 A HA -0.192 4.178 4.320 0.083 0.000 0.217 382 A C 2.424 179.997 177.584 -0.017 0.000 1.186 382 A CA 1.890 53.935 52.037 0.014 0.000 0.624 382 A CB -0.762 18.245 19.000 0.012 0.000 0.822 382 A HN 0.418 nan 8.150 nan 0.000 0.444 383 A N -0.624 122.183 122.820 -0.022 0.000 1.908 383 A HA -0.047 4.323 4.320 0.083 0.000 0.218 383 A C 2.221 179.765 177.584 -0.067 0.000 1.181 383 A CA 1.942 53.955 52.037 -0.040 0.000 0.627 383 A CB -1.014 17.969 19.000 -0.029 0.000 0.818 383 A HN 0.481 nan 8.150 nan 0.000 0.445 384 V N -0.144 119.737 119.914 -0.055 0.000 2.407 384 V HA -0.236 3.933 4.120 0.083 0.000 0.248 384 V C 3.007 178.997 176.094 -0.175 0.000 1.055 384 V CA 1.772 64.022 62.300 -0.083 0.000 1.049 384 V CB -1.296 30.512 31.823 -0.025 0.000 0.662 384 V HN 0.625 nan 8.190 nan 0.000 0.455 385 A N 0.273 123.001 122.820 -0.153 0.000 1.908 385 A HA -0.275 4.094 4.320 0.083 0.000 0.218 385 A C 2.214 179.530 177.584 -0.447 0.000 1.181 385 A CA 2.144 54.004 52.037 -0.295 0.000 0.627 385 A CB -0.485 18.483 19.000 -0.053 0.000 0.818 385 A HN 0.573 nan 8.150 nan 0.000 0.445 386 E N 0.242 120.293 120.200 -0.248 0.000 2.031 386 E HA -0.160 4.239 4.350 0.083 0.000 0.193 386 E C 2.198 178.649 176.600 -0.248 0.000 0.994 386 E CA 2.674 58.945 56.400 -0.216 0.000 0.800 386 E CB -0.496 29.132 29.700 -0.121 0.000 0.752 386 E HN 0.493 nan 8.360 nan 0.000 0.447 387 K N 0.919 121.188 120.400 -0.219 0.000 2.063 387 K HA -0.101 4.269 4.320 0.083 0.000 0.208 387 K C 2.396 178.826 176.600 -0.283 0.000 1.048 387 K CA 1.698 57.864 56.287 -0.201 0.000 0.928 387 K CB -1.307 31.100 32.500 -0.155 0.000 0.713 387 K HN 0.279 nan 8.250 nan 0.000 0.442 388 L N 0.072 121.039 121.223 -0.426 0.000 2.012 388 L HA -0.210 4.179 4.340 0.083 0.000 0.210 388 L C 2.995 179.525 176.870 -0.567 0.000 1.073 388 L CA 2.115 56.602 54.840 -0.588 0.000 0.748 388 L CB -0.302 41.197 42.059 -0.934 0.000 0.891 388 L HN 0.642 nan 8.230 nan 0.000 0.431 389 E N 0.160 119.964 120.200 -0.661 0.000 2.047 389 E HA -0.213 4.186 4.350 0.083 0.000 0.191 389 E C 2.364 178.843 176.600 -0.201 0.000 0.987 389 E CA 0.973 57.125 56.400 -0.413 0.000 0.799 389 E CB 0.092 29.575 29.700 -0.362 0.000 0.752 389 E HN 0.318 nan 8.360 nan 0.000 0.449 390 R N 0.261 120.648 120.500 -0.188 0.000 2.152 390 R HA -0.076 4.314 4.340 0.083 0.000 0.232 390 R C 2.356 178.594 176.300 -0.103 0.000 1.117 390 R CA 1.256 57.287 56.100 -0.116 0.000 0.981 390 R CB -0.243 29.994 30.300 -0.104 0.000 0.870 390 R HN 0.192 nan 8.270 nan 0.000 0.451 391 S N -0.286 115.333 115.700 -0.136 0.000 2.720 391 S HA 0.063 4.583 4.470 0.083 0.000 0.222 391 S C 1.254 175.805 174.600 -0.083 0.000 0.958 391 S CA 0.360 58.495 58.200 -0.109 0.000 0.943 391 S CB 0.176 63.296 63.200 -0.134 0.000 0.779 391 S HN 0.493 nan 8.310 nan 0.000 0.526 392 G N 0.658 109.416 108.800 -0.069 0.000 2.225 392 G HA2 -0.244 3.765 3.960 0.083 0.000 0.267 392 G HA3 -0.244 3.765 3.960 0.083 0.000 0.267 392 G C 0.878 175.776 174.900 -0.002 0.000 1.024 392 G CA 0.160 45.245 45.100 -0.025 0.000 0.784 392 G HN 1.163 nan 8.290 nan 0.000 0.507 393 A N 0.161 122.964 122.820 -0.029 0.000 2.019 393 A HA 0.121 4.490 4.320 0.083 0.000 0.219 393 A C 2.261 179.986 177.584 0.234 0.000 1.164 393 A CA 2.171 54.232 52.037 0.039 0.000 0.644 393 A CB -0.246 18.666 19.000 -0.146 0.000 0.805 393 A HN 1.211 nan 8.150 nan 0.000 0.449 394 R N 0.024 120.663 120.500 0.232 0.000 2.240 394 R HA 0.076 4.466 4.340 0.083 0.000 0.203 394 R C 1.795 178.263 176.300 0.280 0.000 1.011 394 R CA 1.360 57.669 56.100 0.348 0.000 1.007 394 R CB -0.617 29.857 30.300 0.291 0.000 0.911 394 R HN 0.428 nan 8.270 nan 0.000 0.468 395 R N 0.510 121.103 120.500 0.156 0.000 2.235 395 R HA -0.029 4.361 4.340 0.083 0.000 0.213 395 R C 1.540 177.865 176.300 0.042 0.000 1.059 395 R CA 1.344 57.504 56.100 0.100 0.000 0.997 395 R CB -0.151 30.179 30.300 0.050 0.000 0.884 395 R HN 0.519 nan 8.270 nan 0.000 0.462 396 E N -0.143 120.046 120.200 -0.019 0.000 2.512 396 E HA -0.049 4.350 4.350 0.083 0.000 0.195 396 E C 0.356 176.646 176.600 -0.518 0.000 1.083 396 E CA 0.499 56.734 56.400 -0.276 0.000 0.873 396 E CB -0.296 29.176 29.700 -0.379 0.000 0.897 396 E HN 0.459 nan 8.360 nan 0.000 0.514 397 F N -1.096 118.930 119.950 0.127 0.000 2.817 397 F HA 0.388 4.964 4.527 0.082 0.000 0.319 397 F C 0.953 176.837 175.800 0.140 0.000 1.136 397 F CA 0.285 58.375 58.000 0.151 0.000 1.177 397 F CB 1.280 40.390 39.000 0.183 0.000 1.088 397 F HN 0.144 nan 8.300 nan 0.000 0.520 398 D N 0.874 121.412 120.400 0.231 0.000 3.449 398 D HA 0.638 5.328 4.640 0.083 0.000 0.262 398 D C -0.385 176.010 176.300 0.158 0.000 1.343 398 D CA 0.250 54.373 54.000 0.205 0.000 0.787 398 D CB -0.048 40.875 40.800 0.205 0.000 1.412 398 D HN 0.200 nan 8.370 nan 0.000 0.652 399 A N 1.755 124.647 122.820 0.120 0.000 3.030 399 A HA 0.708 5.078 4.320 0.083 0.000 0.335 399 A C -1.431 176.160 177.584 0.013 0.000 1.089 399 A CA -0.989 51.079 52.037 0.052 0.000 0.807 399 A CB 0.883 19.857 19.000 -0.043 0.000 1.099 399 A HN 0.224 nan 8.150 nan 0.000 0.474 400 P HA -0.146 nan 4.420 nan 0.000 0.221 400 P C 1.594 178.583 177.300 -0.518 0.000 1.145 400 P CA 1.792 64.886 63.100 -0.009 0.000 0.795 400 P CB 0.141 32.060 31.700 0.365 0.000 0.775 401 G N 0.711 109.244 108.800 -0.446 0.000 2.422 401 G HA2 -0.212 3.798 3.960 0.083 0.000 0.218 401 G HA3 -0.212 3.798 3.960 0.083 0.000 0.218 401 G C 1.665 176.274 174.900 -0.485 0.000 1.146 401 G CA 0.400 45.090 45.100 -0.683 0.000 0.769 401 G HN 0.254 nan 8.290 nan 0.000 0.547 402 I N 0.011 120.360 120.570 -0.369 0.000 2.286 402 I HA -0.148 4.072 4.170 0.083 0.000 0.248 402 I C 2.500 178.365 176.117 -0.421 0.000 1.115 402 I CA 0.927 62.023 61.300 -0.340 0.000 1.392 402 I CB -0.225 37.532 38.000 -0.404 0.000 1.065 402 I HN 0.199 nan 8.210 nan 0.000 0.418 403 H N -0.624 118.176 119.070 -0.450 0.000 2.415 403 H HA 0.054 4.661 4.556 0.084 0.000 0.297 403 H C 1.527 176.412 175.328 -0.738 0.000 1.048 403 H CA 1.293 56.938 56.048 -0.671 0.000 1.365 403 H CB 0.199 29.332 29.762 -1.048 0.000 1.421 403 H HN 0.295 nan 8.280 nan 0.000 0.533 404 F N -0.869 118.859 119.950 -0.370 0.000 2.746 404 F HA 0.294 4.869 4.527 0.080 0.000 0.313 404 F C 2.394 177.958 175.800 -0.393 0.000 1.095 404 F CA 0.178 57.931 58.000 -0.412 0.000 1.224 404 F CB -0.156 38.505 39.000 -0.564 0.000 1.060 404 F HN 0.047 nan 8.300 nan 0.000 0.584 405 G N -1.180 107.365 108.800 -0.425 0.000 2.650 405 G HA2 -0.172 3.837 3.960 0.083 0.000 0.214 405 G HA3 -0.172 3.837 3.960 0.083 0.000 0.214 405 G C 0.163 175.075 174.900 0.021 0.000 1.136 405 G CA 0.117 45.112 45.100 -0.175 0.000 0.789 405 G HN 0.311 nan 8.290 nan 0.000 0.536 406 H N 0.804 119.847 119.070 -0.046 0.000 2.886 406 H HA 0.376 4.981 4.556 0.082 0.000 0.329 406 H C -0.381 174.896 175.328 -0.084 0.000 1.044 406 H CA 0.557 56.578 56.048 -0.045 0.000 1.456 406 H CB 0.607 30.331 29.762 -0.063 0.000 1.464 406 H HN -0.069 nan 8.280 nan 0.000 0.573 407 T N 6.337 120.467 114.554 -0.707 0.000 2.786 407 T HA 0.175 4.575 4.350 0.083 0.000 0.283 407 T C -0.949 173.513 174.700 -0.396 0.000 0.992 407 T CA -0.579 61.281 62.100 -0.400 0.000 0.954 407 T CB 0.036 68.795 68.868 -0.182 0.000 0.934 407 T HN 0.344 nan 8.240 nan 0.000 0.440 408 Y N 2.216 122.502 120.300 -0.023 0.000 2.377 408 Y HA 0.455 5.053 4.550 0.081 0.000 0.330 408 Y C 0.953 176.878 175.900 0.041 0.000 1.108 408 Y CA -1.024 57.102 58.100 0.043 0.000 1.308 408 Y CB 0.432 38.944 38.460 0.087 0.000 1.216 408 Y HN 0.377 nan 8.280 nan 0.000 0.518 409 R N 1.877 122.502 120.500 0.209 0.000 2.402 409 R HA 0.429 4.818 4.340 0.083 0.000 0.290 409 R C -0.744 175.632 176.300 0.126 0.000 1.321 409 R CA -0.383 55.796 56.100 0.132 0.000 1.283 409 R CB 0.579 30.928 30.300 0.082 0.000 1.111 409 R HN 0.764 nan 8.270 nan 0.000 0.578 410 S N -1.204 114.575 115.700 0.132 0.000 2.811 410 S HA 0.297 4.817 4.470 0.083 0.000 0.311 410 S C 0.950 175.605 174.600 0.091 0.000 1.152 410 S CA -0.201 58.054 58.200 0.091 0.000 0.864 410 S CB 1.387 64.625 63.200 0.064 0.000 1.226 410 S HN 0.271 nan 8.310 nan 0.000 0.541 411 S N 0.341 116.082 115.700 0.068 0.000 2.474 411 S HA -0.048 4.471 4.470 0.083 0.000 0.235 411 S C 1.488 176.147 174.600 0.098 0.000 0.997 411 S CA 0.956 59.198 58.200 0.070 0.000 0.949 411 S CB -1.127 62.101 63.200 0.047 0.000 0.766 411 S HN 0.933 nan 8.310 nan 0.000 0.517 412 I N -1.333 119.313 120.570 0.126 0.000 3.941 412 I HA 0.477 4.697 4.170 0.083 0.000 0.335 412 I C -0.583 175.672 176.117 0.230 0.000 1.402 412 I CA -0.544 60.865 61.300 0.182 0.000 1.112 412 I CB 0.421 38.554 38.000 0.222 0.000 1.043 412 I HN -0.023 nan 8.210 nan 0.000 0.395 413 V N 1.511 121.547 119.914 0.204 0.000 2.448 413 V HA 0.222 4.391 4.120 0.083 0.000 0.295 413 V C -0.139 176.077 176.094 0.202 0.000 1.025 413 V CA -0.661 61.777 62.300 0.229 0.000 0.859 413 V CB 1.792 33.752 31.823 0.229 0.000 0.988 413 V HN 0.403 nan 8.190 nan 0.000 0.431 414 C N 5.894 125.340 119.300 0.244 0.000 2.252 414 C HA 0.591 5.101 4.460 0.083 0.000 0.342 414 C C 1.328 176.434 174.990 0.193 0.000 1.110 414 C CA -0.597 58.569 59.018 0.246 0.000 1.581 414 C CB -1.501 26.473 27.740 0.389 0.000 2.087 414 C HN 1.068 nan 8.230 nan 0.000 0.500 415 G N 4.711 113.593 108.800 0.137 0.000 2.614 415 G HA2 0.401 4.410 3.960 0.083 0.000 0.239 415 G HA3 0.401 4.410 3.960 0.083 0.000 0.239 415 G C -0.175 174.767 174.900 0.070 0.000 1.240 415 G CA -0.181 44.972 45.100 0.090 0.000 0.842 415 G HN 0.883 nan 8.290 nan 0.000 0.584 427 R N 4.495 124.243 120.500 -1.253 0.000 2.673 427 R HA 0.454 4.844 4.340 0.083 0.000 0.281 427 R C -2.549 172.695 176.300 -1.760 0.000 0.991 427 R CA -1.934 53.360 56.100 -1.343 0.000 0.896 427 R CB 2.243 32.169 30.300 -0.624 0.000 1.201 427 R HN 0.140 nan 8.270 nan 0.000 0.457 428 P HA -0.041 nan 4.420 nan 0.000 0.264 428 P C -0.836 176.135 177.300 -0.547 0.000 1.183 428 P CA 0.466 63.043 63.100 -0.872 0.000 0.763 428 P CB 0.691 32.090 31.700 -0.501 0.000 0.807 429 S N 1.747 117.230 115.700 -0.361 0.000 2.541 429 S HA 0.632 5.151 4.470 0.083 0.000 0.271 429 S C -0.241 174.186 174.600 -0.289 0.000 1.133 429 S CA -0.369 57.648 58.200 -0.305 0.000 0.876 429 S CB 1.103 64.159 63.200 -0.241 0.000 1.105 429 S HN 0.302 nan 8.310 nan 0.000 0.470 430 A N 3.641 126.260 122.820 -0.335 0.000 2.507 430 A HA 0.326 4.695 4.320 0.083 0.000 0.270 430 A C 0.728 178.211 177.584 -0.168 0.000 1.318 430 A CA -0.486 51.354 52.037 -0.327 0.000 0.924 430 A CB -0.472 18.238 19.000 -0.482 0.000 1.061 430 A HN 0.802 nan 8.150 nan 0.000 0.516 431 R N -0.128 120.289 120.500 -0.138 0.000 2.679 431 R HA 0.271 4.661 4.340 0.083 0.000 0.268 431 R C -2.817 173.456 176.300 -0.045 0.000 1.044 431 R CA -1.090 54.956 56.100 -0.091 0.000 1.105 431 R CB -0.502 29.752 30.300 -0.077 0.000 0.989 431 R HN -0.041 nan 8.270 nan 0.000 0.447 432 P HA -0.026 nan 4.420 nan 0.000 0.262 432 P C 0.485 177.836 177.300 0.084 0.000 1.182 432 P CA 1.596 64.727 63.100 0.050 0.000 0.761 432 P CB 0.790 32.527 31.700 0.062 0.000 0.795 433 G N 1.703 110.593 108.800 0.150 0.000 2.258 433 G HA2 -0.174 3.836 3.960 0.083 0.000 0.233 433 G HA3 -0.174 3.836 3.960 0.083 0.000 0.233 433 G C 0.437 175.440 174.900 0.171 0.000 1.006 433 G CA 0.033 45.255 45.100 0.204 0.000 0.620 433 G HN 0.844 nan 8.290 nan 0.000 0.511 434 A N 0.291 123.154 122.820 0.071 0.000 2.271 434 A HA 0.757 5.126 4.320 0.083 0.000 0.288 434 A C 0.780 178.250 177.584 -0.191 0.000 1.094 434 A CA 0.544 52.576 52.037 -0.008 0.000 0.828 434 A CB 0.359 19.336 19.000 -0.038 0.000 1.091 434 A HN 1.089 nan 8.150 nan 0.000 0.493 435 R N 1.247 121.494 120.500 -0.421 0.000 2.370 435 R HA 0.388 4.778 4.340 0.083 0.000 0.309 435 R C 0.164 176.290 176.300 -0.291 0.000 1.059 435 R CA 0.214 55.938 56.100 -0.627 0.000 0.981 435 R CB 0.164 30.215 30.300 -0.416 0.000 0.972 435 R HN 0.821 nan 8.270 nan 0.000 0.437 436 A N 7.256 129.911 122.820 -0.275 0.000 2.546 436 A HA 0.197 4.567 4.320 0.083 0.000 0.243 436 A C -1.938 175.614 177.584 -0.054 0.000 1.063 436 A CA -1.105 50.831 52.037 -0.169 0.000 0.757 436 A CB -0.210 18.713 19.000 -0.128 0.000 0.991 436 A HN 0.714 nan 8.150 nan 0.000 0.503 437 P HA 0.049 nan 4.420 nan 0.000 0.269 437 P C -0.502 176.850 177.300 0.087 0.000 1.209 437 P CA 0.186 63.217 63.100 -0.115 0.000 0.776 437 P CB 0.441 31.970 31.700 -0.285 0.000 0.876 438 H N 1.574 120.601 119.070 -0.070 0.000 2.582 438 H HA 0.554 5.159 4.556 0.082 0.000 0.345 438 H C -1.052 174.202 175.328 -0.124 0.000 1.104 438 H CA -0.254 55.708 56.048 -0.144 0.000 1.390 438 H CB 0.432 30.025 29.762 -0.282 0.000 1.461 438 H HN 0.607 nan 8.280 nan 0.000 0.551 439 A N 4.342 126.582 122.820 -0.966 0.000 2.577 439 A HA 0.309 4.679 4.320 0.083 0.000 0.297 439 A C -1.794 175.417 177.584 -0.621 0.000 1.060 439 A CA -0.844 50.735 52.037 -0.762 0.000 0.697 439 A CB 0.460 19.338 19.000 -0.204 0.000 1.281 439 A HN 0.739 nan 8.150 nan 0.000 0.402 440 W N 2.397 123.525 121.300 -0.288 0.000 2.287 440 W HA 0.450 5.153 4.660 0.072 0.000 0.313 440 W C 0.733 177.217 176.519 -0.057 0.000 1.267 440 W CA -0.303 56.996 57.345 -0.077 0.000 1.201 440 W CB 0.870 30.330 29.460 0.001 0.000 1.196 440 W HN 0.558 nan 8.180 nan 0.000 0.536 441 L N 2.264 123.619 121.223 0.221 0.000 2.253 441 L HA 0.135 4.525 4.340 0.083 0.000 0.205 441 L C 1.401 178.348 176.870 0.129 0.000 1.078 441 L CA 1.174 56.081 54.840 0.113 0.000 0.805 441 L CB -1.139 40.947 42.059 0.044 0.000 0.963 441 L HN 0.499 nan 8.230 nan 0.000 0.459 442 T N -5.934 108.731 114.554 0.184 0.000 2.804 442 T HA 0.426 4.826 4.350 0.083 0.000 0.290 442 T C -2.375 172.369 174.700 0.075 0.000 1.099 442 T CA -1.514 60.648 62.100 0.102 0.000 1.011 442 T CB 1.510 70.419 68.868 0.068 0.000 1.291 442 T HN -0.299 nan 8.240 nan 0.000 0.523 443 P HA 0.067 nan 4.420 nan 0.000 0.230 443 P C 1.174 178.265 177.300 -0.349 0.000 1.158 443 P CA 1.044 63.965 63.100 -0.298 0.000 0.769 443 P CB -0.011 31.562 31.700 -0.211 0.000 0.807 444 T N -7.605 106.924 114.554 -0.043 0.000 3.004 444 T HA 0.170 4.570 4.350 0.083 0.000 0.266 444 T C 0.456 175.354 174.700 0.331 0.000 0.986 444 T CA -0.001 62.154 62.100 0.091 0.000 0.902 444 T CB -0.307 68.590 68.868 0.049 0.000 1.118 444 T HN -0.173 nan 8.240 nan 0.000 0.522 445 T N 2.074 116.860 114.554 0.387 0.000 2.809 445 T HA 0.652 5.052 4.350 0.083 0.000 0.284 445 T C -0.621 174.260 174.700 0.302 0.000 0.992 445 T CA -0.562 61.712 62.100 0.291 0.000 0.957 445 T CB 1.784 70.727 68.868 0.126 0.000 0.942 445 T HN 0.274 nan 8.240 nan 0.000 0.439 446 S N 1.472 117.200 115.700 0.047 0.000 2.687 446 S HA 0.379 4.899 4.470 0.083 0.000 0.283 446 S C 1.819 176.294 174.600 -0.208 0.000 1.170 446 S CA -0.208 57.873 58.200 -0.198 0.000 1.008 446 S CB 0.879 63.840 63.200 -0.398 0.000 1.026 446 S HN 0.810 nan 8.310 nan 0.000 0.541 447 T N 2.045 116.456 114.554 -0.239 0.000 2.803 447 T HA -0.116 4.284 4.350 0.083 0.000 0.269 447 T C 1.674 175.965 174.700 -0.681 0.000 1.052 447 T CA 1.182 63.078 62.100 -0.340 0.000 1.136 447 T CB -0.481 68.320 68.868 -0.112 0.000 0.864 447 T HN 0.423 nan 8.240 nan 0.000 0.467 448 L N 1.799 122.799 121.223 -0.372 0.000 2.191 448 L HA 0.005 4.395 4.340 0.083 0.000 0.212 448 L C 2.123 178.782 176.870 -0.351 0.000 1.103 448 L CA 1.433 56.096 54.840 -0.296 0.000 0.769 448 L CB -0.699 41.306 42.059 -0.089 0.000 0.908 448 L HN 0.238 nan 8.230 nan 0.000 0.438 449 D N -0.825 119.394 120.400 -0.301 0.000 2.371 449 D HA -0.059 4.630 4.640 0.083 0.000 0.221 449 D C 2.106 178.273 176.300 -0.222 0.000 0.986 449 D CA 0.717 54.604 54.000 -0.188 0.000 0.899 449 D CB 0.203 40.944 40.800 -0.099 0.000 0.902 449 D HN 0.348 nan 8.370 nan 0.000 0.530 450 L N -0.517 120.427 121.223 -0.466 0.000 2.446 450 L HA 0.071 4.460 4.340 0.083 0.000 0.219 450 L C 0.385 177.141 176.870 -0.190 0.000 1.116 450 L CA 0.187 54.797 54.840 -0.382 0.000 0.844 450 L CB -0.011 41.736 42.059 -0.520 0.000 0.970 450 L HN -0.162 nan 8.230 nan 0.000 0.457 451 F N -0.327 119.612 119.950 -0.018 0.000 2.411 451 F HA 0.638 5.216 4.527 0.085 0.000 0.324 451 F C 1.353 177.153 175.800 0.000 0.000 1.086 451 F CA -1.014 56.969 58.000 -0.029 0.000 1.028 451 F CB 0.423 39.395 39.000 -0.048 0.000 1.284 451 F HN -0.051 nan 8.300 nan 0.000 0.501 452 G N 0.162 109.087 108.800 0.207 0.000 2.231 452 G HA2 -0.195 3.815 3.960 0.083 0.000 0.206 452 G HA3 -0.195 3.815 3.960 0.083 0.000 0.206 452 G C 1.028 176.068 174.900 0.233 0.000 0.996 452 G CA 0.003 45.224 45.100 0.202 0.000 0.645 452 G HN 0.570 nan 8.290 nan 0.000 0.498 453 R N 0.275 120.863 120.500 0.147 0.000 1.741 453 R HA 0.534 4.924 4.340 0.083 0.000 0.135 453 R C 1.773 178.118 176.300 0.074 0.000 2.034 453 R CA 0.427 56.581 56.100 0.091 0.000 1.732 453 R CB -0.469 29.868 30.300 0.061 0.000 1.201 453 R HN 0.300 nan 8.270 nan 0.000 0.485 454 G N 0.146 108.976 108.800 0.050 0.000 2.736 454 G HA2 0.405 4.415 3.960 0.083 0.000 0.229 454 G HA3 0.405 4.415 3.960 0.083 0.000 0.229 454 G C -0.716 174.148 174.900 -0.060 0.000 1.380 454 G CA -0.699 44.420 45.100 0.032 0.000 1.040 454 G HN 0.049 nan 8.290 nan 0.000 0.568 455 F N -0.973 118.931 119.950 -0.078 0.000 2.444 455 F HA 0.479 5.057 4.527 0.086 0.000 0.331 455 F C 0.535 176.262 175.800 -0.123 0.000 1.167 455 F CA 0.120 58.061 58.000 -0.098 0.000 1.262 455 F CB 1.617 40.558 39.000 -0.098 0.000 1.196 455 F HN -0.007 nan 8.300 nan 0.000 0.583 456 V N 3.536 123.511 119.914 0.101 0.000 2.623 456 V HA 0.319 4.488 4.120 0.083 0.000 0.304 456 V C -1.167 174.951 176.094 0.041 0.000 1.054 456 V CA -0.807 61.534 62.300 0.068 0.000 0.882 456 V CB 1.910 33.865 31.823 0.221 0.000 1.002 456 V HN 0.490 nan 8.190 nan 0.000 0.424 457 L N 6.373 127.570 121.223 -0.043 0.000 2.276 457 L HA 0.594 4.984 4.340 0.083 0.000 0.286 457 L C -0.748 176.085 176.870 -0.061 0.000 1.024 457 L CA 0.179 55.001 54.840 -0.031 0.000 0.826 457 L CB 0.894 42.891 42.059 -0.104 0.000 1.211 457 L HN 0.565 nan 8.230 nan 0.000 0.422 458 L N 4.683 125.863 121.223 -0.072 0.000 2.264 458 L HA 0.497 4.887 4.340 0.083 0.000 0.289 458 L C -0.079 176.522 176.870 -0.448 0.000 1.044 458 L CA -0.150 54.492 54.840 -0.330 0.000 0.807 458 L CB 1.319 43.128 42.059 -0.416 0.000 1.192 458 L HN 0.636 nan 8.230 nan 0.000 0.425 459 S N 3.268 118.634 115.700 -0.557 0.000 2.519 459 S HA 0.592 5.111 4.470 0.083 0.000 0.309 459 S C -0.763 173.368 174.600 -0.782 0.000 1.100 459 S CA -0.457 57.456 58.200 -0.478 0.000 1.059 459 S CB 0.948 64.089 63.200 -0.098 0.000 1.008 459 S HN 0.219 nan 8.310 nan 0.000 0.478 460 F N 2.578 122.247 119.950 -0.469 0.000 2.361 460 F HA 0.622 5.198 4.527 0.082 0.000 0.364 460 F C 1.276 176.785 175.800 -0.485 0.000 1.120 460 F CA 0.201 57.855 58.000 -0.575 0.000 1.102 460 F CB 0.858 39.253 39.000 -1.008 0.000 1.183 460 F HN 0.894 nan 8.300 nan 0.000 0.476 461 G N 1.804 110.514 108.800 -0.149 0.000 2.728 461 G HA2 -0.290 3.720 3.960 0.083 0.000 0.269 461 G HA3 -0.290 3.720 3.960 0.083 0.000 0.269 461 G C 0.314 175.199 174.900 -0.026 0.000 1.334 461 G CA -0.173 44.910 45.100 -0.028 0.000 0.974 461 G HN 0.764 nan 8.290 nan 0.000 0.550 462 T N 1.345 115.885 114.554 -0.024 0.000 2.932 462 T HA 0.463 4.863 4.350 0.083 0.000 0.312 462 T C 1.625 176.361 174.700 0.060 0.000 1.071 462 T CA 1.870 63.989 62.100 0.031 0.000 1.128 462 T CB 0.473 69.382 68.868 0.068 0.000 0.984 462 T HN 1.790 nan 8.240 nan 0.000 0.549 463 T N 0.674 115.284 114.554 0.093 0.000 3.200 463 T HA 0.232 4.631 4.350 0.083 0.000 0.284 463 T C 0.201 174.961 174.700 0.100 0.000 1.009 463 T CA -0.598 61.568 62.100 0.110 0.000 0.907 463 T CB 0.049 68.941 68.868 0.041 0.000 1.120 463 T HN 0.633 nan 8.240 nan 0.000 0.534 464 D N 1.481 121.953 120.400 0.121 0.000 2.401 464 D HA 0.326 5.016 4.640 0.083 0.000 0.254 464 D C 1.465 177.798 176.300 0.054 0.000 1.192 464 D CA 1.958 56.009 54.000 0.085 0.000 0.885 464 D CB 0.408 41.270 40.800 0.103 0.000 1.147 464 D HN 0.543 nan 8.370 nan 0.000 0.478 465 G N 2.593 111.395 108.800 0.005 0.000 2.234 465 G HA2 -0.322 3.688 3.960 0.083 0.000 0.235 465 G HA3 -0.322 3.688 3.960 0.083 0.000 0.235 465 G C 1.278 176.126 174.900 -0.087 0.000 0.997 465 G CA 0.216 45.289 45.100 -0.044 0.000 0.623 465 G HN 0.512 nan 8.290 nan 0.000 0.514 466 V N 1.027 120.895 119.914 -0.078 0.000 2.392 466 V HA -0.130 4.039 4.120 0.083 0.000 0.249 466 V C 2.607 178.656 176.094 -0.075 0.000 1.059 466 V CA 2.602 64.847 62.300 -0.091 0.000 1.051 466 V CB -0.224 31.569 31.823 -0.050 0.000 0.658 466 V HN 0.439 nan 8.190 nan 0.000 0.455 467 E N 0.393 120.563 120.200 -0.050 0.000 2.110 467 E HA -0.197 4.203 4.350 0.083 0.000 0.193 467 E C 2.305 178.878 176.600 -0.045 0.000 0.988 467 E CA 1.531 57.905 56.400 -0.043 0.000 0.804 467 E CB -0.255 29.428 29.700 -0.028 0.000 0.745 467 E HN 0.556 nan 8.360 nan 0.000 0.458 468 A N 0.347 123.137 122.820 -0.050 0.000 1.902 468 A HA -0.131 4.239 4.320 0.083 0.000 0.217 468 A C 2.573 180.128 177.584 -0.049 0.000 1.181 468 A CA 1.538 53.545 52.037 -0.050 0.000 0.623 468 A CB -0.615 18.352 19.000 -0.056 0.000 0.818 468 A HN 0.171 nan 8.150 nan 0.000 0.443 469 V N -0.246 119.629 119.914 -0.065 0.000 2.343 469 V HA -0.219 3.951 4.120 0.083 0.000 0.247 469 V C 2.713 178.824 176.094 0.028 0.000 1.051 469 V CA 2.404 64.686 62.300 -0.030 0.000 1.036 469 V CB -1.334 30.424 31.823 -0.109 0.000 0.654 469 V HN 0.597 nan 8.190 nan 0.000 0.451 470 T N -0.328 114.197 114.554 -0.048 0.000 2.684 470 T HA -0.232 4.168 4.350 0.083 0.000 0.267 470 T C 2.098 176.799 174.700 0.003 0.000 1.036 470 T CA 1.686 63.757 62.100 -0.049 0.000 1.148 470 T CB -0.251 68.578 68.868 -0.065 0.000 0.863 470 T HN 0.402 nan 8.240 nan 0.000 0.436 471 R N 0.594 121.085 120.500 -0.014 0.000 2.092 471 R HA 0.075 4.465 4.340 0.083 0.000 0.231 471 R C 2.825 179.106 176.300 -0.031 0.000 1.119 471 R CA 1.110 57.194 56.100 -0.026 0.000 0.970 471 R CB -0.425 29.854 30.300 -0.035 0.000 0.864 471 R HN 0.365 nan 8.270 nan 0.000 0.440 472 A N 0.489 123.300 122.820 -0.016 0.000 1.908 472 A HA -0.169 4.201 4.320 0.083 0.000 0.218 472 A C 1.838 179.353 177.584 -0.115 0.000 1.181 472 A CA 1.261 53.256 52.037 -0.069 0.000 0.627 472 A CB -0.546 18.407 19.000 -0.077 0.000 0.818 472 A HN 0.205 nan 8.150 nan 0.000 0.445 473 F N -0.024 119.814 119.950 -0.186 0.000 2.206 473 F HA -0.003 4.574 4.527 0.083 0.000 0.298 473 F C 2.752 178.427 175.800 -0.207 0.000 1.090 473 F CA 0.876 58.747 58.000 -0.215 0.000 1.323 473 F CB -0.458 38.403 39.000 -0.232 0.000 1.028 473 F HN 0.253 nan 8.300 nan 0.000 0.492 474 A N -0.258 122.554 122.820 -0.014 0.000 1.930 474 A HA -0.172 4.198 4.320 0.083 0.000 0.217 474 A C 1.905 179.313 177.584 -0.294 0.000 1.175 474 A CA 1.875 53.843 52.037 -0.114 0.000 0.627 474 A CB -0.748 18.208 19.000 -0.073 0.000 0.815 474 A HN 0.253 nan 8.150 nan 0.000 0.443 475 D N -0.578 119.680 120.400 -0.237 0.000 2.218 475 D HA -0.090 4.600 4.640 0.083 0.000 0.204 475 D C 1.547 177.637 176.300 -0.351 0.000 0.976 475 D CA 0.788 54.624 54.000 -0.275 0.000 0.853 475 D CB -0.095 40.610 40.800 -0.158 0.000 0.939 475 D HN 0.204 nan 8.370 nan 0.000 0.481 476 R N -0.353 119.976 120.500 -0.285 0.000 2.432 476 R HA 0.092 4.482 4.340 0.083 0.000 0.260 476 R C -0.183 176.116 176.300 -0.001 0.000 0.935 476 R CA -0.315 55.708 56.100 -0.129 0.000 1.080 476 R CB -0.465 29.756 30.300 -0.131 0.000 1.155 476 R HN 0.326 nan 8.270 nan 0.000 0.531 477 H N -1.856 117.215 119.070 0.001 0.000 2.861 477 H HA -0.131 4.475 4.556 0.082 0.000 0.289 477 H C -0.423 174.853 175.328 -0.087 0.000 1.176 477 H CA 0.524 56.581 56.048 0.014 0.000 1.146 477 H CB -1.944 27.871 29.762 0.089 0.000 1.330 477 H HN -0.115 nan 8.280 nan 0.000 0.379 478 V N 2.544 122.378 119.914 -0.134 0.000 2.432 478 V HA 0.204 4.374 4.120 0.083 0.000 0.271 478 V C -1.434 174.487 176.094 -0.289 0.000 1.046 478 V CA -1.485 60.532 62.300 -0.473 0.000 0.945 478 V CB 1.099 32.696 31.823 -0.378 0.000 0.992 478 V HN 0.098 nan 8.190 nan 0.000 0.471 479 P HA 0.187 nan 4.420 nan 0.000 0.263 479 P C -0.914 176.354 177.300 -0.053 0.000 1.195 479 P CA -0.038 62.957 63.100 -0.174 0.000 0.762 479 P CB 1.312 32.931 31.700 -0.135 0.000 0.799 480 L N 2.609 123.777 121.223 -0.092 0.000 2.472 480 L HA 0.515 4.904 4.340 0.083 0.000 0.260 480 L C -0.937 175.846 176.870 -0.145 0.000 0.963 480 L CA -0.467 54.251 54.840 -0.203 0.000 0.829 480 L CB 2.521 44.239 42.059 -0.569 0.000 1.348 480 L HN 0.285 nan 8.230 nan 0.000 0.408 481 E N 1.406 121.534 120.200 -0.121 0.000 2.248 481 E HA 0.636 5.036 4.350 0.083 0.000 0.267 481 E C -1.248 175.288 176.600 -0.106 0.000 0.877 481 E CA -0.735 55.614 56.400 -0.085 0.000 0.759 481 E CB 2.049 31.725 29.700 -0.039 0.000 1.182 481 E HN 0.684 nan 8.360 nan 0.000 0.418 482 T N -1.023 113.469 114.554 -0.104 0.000 2.797 482 T HA 0.622 5.022 4.350 0.083 0.000 0.279 482 T C -0.437 174.199 174.700 -0.106 0.000 0.991 482 T CA -0.713 61.320 62.100 -0.111 0.000 0.979 482 T CB 1.037 69.838 68.868 -0.112 0.000 0.943 482 T HN 0.105 nan 8.240 nan 0.000 0.444 483 V N 3.072 122.905 119.914 -0.136 0.000 2.588 483 V HA 0.501 4.671 4.120 0.083 0.000 0.304 483 V C 0.083 176.020 176.094 -0.262 0.000 1.042 483 V CA -0.822 61.376 62.300 -0.171 0.000 0.877 483 V CB 2.198 33.920 31.823 -0.168 0.000 0.996 483 V HN 1.108 nan 8.190 nan 0.000 0.425 484 T N 3.506 117.904 114.554 -0.261 0.000 2.733 484 T HA 0.298 4.697 4.350 0.083 0.000 0.294 484 T C -0.390 173.990 174.700 -0.534 0.000 0.956 484 T CA -0.144 61.727 62.100 -0.382 0.000 0.987 484 T CB 0.817 69.524 68.868 -0.269 0.000 0.920 484 T HN 0.763 nan 8.240 nan 0.000 0.470 485 C N 5.190 124.104 119.300 -0.642 0.000 2.322 485 C HA 0.413 4.923 4.460 0.083 0.000 0.324 485 C C 1.175 175.914 174.990 -0.418 0.000 1.284 485 C CA -0.592 58.138 59.018 -0.480 0.000 1.606 485 C CB -0.442 27.068 27.740 -0.382 0.000 2.251 485 C HN 0.991 nan 8.230 nan 0.000 0.502 486 H N 3.332 122.407 119.070 0.007 0.000 2.586 486 H HA 0.210 4.815 4.556 0.083 0.000 0.273 486 H C 1.111 176.480 175.328 0.068 0.000 0.997 486 H CA 0.509 56.579 56.048 0.036 0.000 1.177 486 H CB 0.005 29.773 29.762 0.009 0.000 1.471 486 H HN 0.756 nan 8.280 nan 0.000 0.538 487 A N 3.878 126.790 122.820 0.153 0.000 2.444 487 A HA 0.159 4.528 4.320 0.083 0.000 0.273 487 A C -1.009 176.645 177.584 0.116 0.000 1.136 487 A CA -1.077 51.031 52.037 0.118 0.000 0.799 487 A CB 0.524 19.577 19.000 0.088 0.000 1.081 487 A HN 0.079 nan 8.150 nan 0.000 0.509 488 P HA -0.155 nan 4.420 nan 0.000 0.219 488 P C 0.591 177.894 177.300 0.005 0.000 1.150 488 P CA 1.225 64.367 63.100 0.070 0.000 0.814 488 P CB 0.332 32.059 31.700 0.046 0.000 0.787 489 E N 0.325 120.528 120.200 0.004 0.000 2.072 489 E HA -0.097 4.302 4.350 0.083 0.000 0.191 489 E C 2.232 178.810 176.600 -0.036 0.000 0.985 489 E CA 0.997 57.385 56.400 -0.021 0.000 0.801 489 E CB -0.918 28.782 29.700 -0.001 0.000 0.750 489 E HN 0.301 nan 8.360 nan 0.000 0.452 490 I N 0.357 120.917 120.570 -0.016 0.000 2.353 490 I HA -0.238 3.982 4.170 0.083 0.000 0.248 490 I C 2.536 178.494 176.117 -0.266 0.000 1.119 490 I CA 1.241 62.526 61.300 -0.024 0.000 1.417 490 I CB -0.416 37.618 38.000 0.057 0.000 1.078 490 I HN 0.247 nan 8.210 nan 0.000 0.421 491 H N 1.302 120.028 119.070 -0.574 0.000 2.321 491 H HA -0.182 4.424 4.556 0.083 0.000 0.300 491 H C 2.358 177.365 175.328 -0.536 0.000 1.087 491 H CA 1.304 56.735 56.048 -1.029 0.000 1.319 491 H CB 0.280 29.733 29.762 -0.515 0.000 1.379 491 H HN 0.334 nan 8.280 nan 0.000 0.501 492 A N 0.982 123.641 122.820 -0.268 0.000 1.933 492 A HA -0.164 4.205 4.320 0.083 0.000 0.218 492 A C 2.359 179.836 177.584 -0.178 0.000 1.175 492 A CA 1.467 53.353 52.037 -0.252 0.000 0.628 492 A CB -0.729 18.166 19.000 -0.174 0.000 0.814 492 A HN 0.480 nan 8.150 nan 0.000 0.444 493 L N -1.885 119.270 121.223 -0.113 0.000 2.056 493 L HA -0.094 4.295 4.340 0.083 0.000 0.207 493 L C 2.138 178.945 176.870 -0.104 0.000 1.078 493 L CA 1.904 56.696 54.840 -0.079 0.000 0.749 493 L CB -0.714 41.354 42.059 0.014 0.000 0.901 493 L HN 0.435 nan 8.230 nan 0.000 0.433 494 Y N 0.225 120.370 120.300 -0.258 0.000 2.519 494 Y HA -0.027 4.572 4.550 0.081 0.000 0.287 494 Y C 1.707 177.505 175.900 -0.170 0.000 1.128 494 Y CA 0.686 58.674 58.100 -0.187 0.000 1.282 494 Y CB -0.003 38.363 38.460 -0.156 0.000 1.027 494 Y HN 0.355 nan 8.280 nan 0.000 0.551 495 E N -1.528 118.617 120.200 -0.091 0.000 3.991 495 E HA -0.257 4.142 4.350 0.083 0.000 0.331 495 E C 0.112 176.678 176.600 -0.056 0.000 0.628 495 E CA 1.032 57.361 56.400 -0.119 0.000 1.192 495 E CB -0.734 28.892 29.700 -0.124 0.000 1.683 495 E HN 0.181 nan 8.360 nan 0.000 0.416 496 R N -0.967 119.560 120.500 0.045 0.000 2.892 496 R HA 0.632 5.022 4.340 0.083 0.000 0.265 496 R C 0.812 177.225 176.300 0.188 0.000 1.025 496 R CA 0.316 56.459 56.100 0.071 0.000 0.982 496 R CB 0.946 31.227 30.300 -0.031 0.000 1.185 496 R HN 0.058 nan 8.270 nan 0.000 0.484 497 A N 0.828 123.688 122.820 0.067 0.000 1.968 497 A HA -0.037 4.333 4.320 0.083 0.000 0.217 497 A C 0.226 177.608 177.584 -0.337 0.000 1.169 497 A CA 1.214 53.151 52.037 -0.167 0.000 0.638 497 A CB -0.160 18.646 19.000 -0.322 0.000 0.812 497 A HN 0.492 nan 8.150 nan 0.000 0.446 498 H N -1.531 117.623 119.070 0.141 0.000 2.667 498 H HA 0.561 5.166 4.556 0.082 0.000 0.353 498 H C -1.638 173.790 175.328 0.166 0.000 1.072 498 H CA -0.624 55.521 56.048 0.162 0.000 1.214 498 H CB 1.780 31.730 29.762 0.312 0.000 1.600 498 H HN -0.031 nan 8.280 nan 0.000 0.527 499 V N 4.299 124.397 119.914 0.308 0.000 2.524 499 V HA 0.101 4.271 4.120 0.083 0.000 0.297 499 V C -0.441 175.828 176.094 0.293 0.000 1.035 499 V CA -0.729 61.744 62.300 0.288 0.000 0.867 499 V CB 2.366 34.430 31.823 0.402 0.000 1.004 499 V HN 0.427 nan 8.190 nan 0.000 0.426 500 L N 7.119 128.574 121.223 0.387 0.000 2.261 500 L HA 0.640 5.030 4.340 0.083 0.000 0.289 500 L C -0.355 176.665 176.870 0.249 0.000 1.059 500 L CA 0.318 55.359 54.840 0.336 0.000 0.816 500 L CB 1.285 43.614 42.059 0.451 0.000 1.191 500 L HN 0.459 nan 8.230 nan 0.000 0.431 501 V N 5.988 125.975 119.914 0.121 0.000 2.483 501 V HA 0.522 4.692 4.120 0.083 0.000 0.295 501 V C 0.594 176.618 176.094 -0.118 0.000 1.035 501 V CA -0.794 61.445 62.300 -0.101 0.000 0.896 501 V CB 1.566 33.072 31.823 -0.528 0.000 0.986 501 V HN 0.721 nan 8.190 nan 0.000 0.447 502 R N 4.122 124.465 120.500 -0.261 0.000 2.649 502 R HA 0.242 4.632 4.340 0.083 0.000 0.270 502 R C -1.662 174.134 176.300 -0.840 0.000 1.105 502 R CA -1.310 54.353 56.100 -0.728 0.000 1.193 502 R CB 0.172 30.139 30.300 -0.556 0.000 1.120 502 R HN 0.415 nan 8.270 nan 0.000 0.561 503 P HA -0.154 nan 4.420 nan 0.000 0.223 503 P C -0.036 176.908 177.300 -0.594 0.000 1.144 503 P CA 1.258 63.901 63.100 -0.761 0.000 0.783 503 P CB 0.128 31.406 31.700 -0.703 0.000 0.771 504 D N -2.606 117.323 120.400 -0.785 0.000 2.349 504 D HA 0.113 4.803 4.640 0.083 0.000 0.214 504 D C 1.411 177.683 176.300 -0.046 0.000 1.063 504 D CA 0.488 54.315 54.000 -0.288 0.000 0.847 504 D CB -0.719 40.007 40.800 -0.123 0.000 0.933 504 D HN 0.176 nan 8.370 nan 0.000 0.513 505 G N -0.232 108.452 108.800 -0.195 0.000 2.175 505 G HA2 -0.237 3.773 3.960 0.083 0.000 0.244 505 G HA3 -0.237 3.773 3.960 0.083 0.000 0.244 505 G C 0.051 174.750 174.900 -0.335 0.000 0.982 505 G CA -0.068 44.868 45.100 -0.274 0.000 0.641 505 G HN 0.547 nan 8.290 nan 0.000 0.527 506 H N -0.180 118.769 119.070 -0.203 0.000 2.481 506 H HA 0.458 5.063 4.556 0.082 0.000 0.339 506 H C 0.276 175.547 175.328 -0.096 0.000 1.131 506 H CA -0.319 55.675 56.048 -0.090 0.000 1.301 506 H CB 1.904 31.724 29.762 0.095 0.000 1.476 506 H HN 0.059 nan 8.280 nan 0.000 0.529 507 V N 2.165 122.102 119.914 0.038 0.000 2.555 507 V HA 0.037 4.207 4.120 0.083 0.000 0.286 507 V C 1.031 177.236 176.094 0.185 0.000 1.044 507 V CA 0.392 62.733 62.300 0.068 0.000 1.026 507 V CB 0.979 32.818 31.823 0.026 0.000 0.981 507 V HN 0.940 nan 8.190 nan 0.000 0.480 508 A N 4.393 127.367 122.820 0.257 0.000 2.085 508 A HA 0.326 4.696 4.320 0.083 0.000 0.208 508 A C 0.221 178.042 177.584 0.396 0.000 1.191 508 A CA 0.146 52.389 52.037 0.344 0.000 0.799 508 A CB 0.241 19.512 19.000 0.450 0.000 0.877 508 A HN 0.892 nan 8.150 nan 0.000 0.473 509 W N -0.102 121.289 121.300 0.152 0.000 3.275 509 W HA 0.541 5.250 4.660 0.081 0.000 0.306 509 W C -1.292 175.304 176.519 0.128 0.000 1.259 509 W CA -0.597 56.825 57.345 0.129 0.000 1.194 509 W CB 0.762 30.298 29.460 0.126 0.000 1.375 509 W HN 0.356 nan 8.180 nan 0.000 0.564 510 R N 3.515 123.297 120.500 -1.197 0.000 2.716 510 R HA 0.932 5.321 4.340 0.083 0.000 0.271 510 R C -0.766 174.584 176.300 -1.582 0.000 1.028 510 R CA -0.621 54.774 56.100 -1.176 0.000 0.883 510 R CB 1.580 31.649 30.300 -0.385 0.000 1.250 510 R HN 1.312 nan 8.270 nan 0.000 0.465 511 G N 0.311 108.559 108.800 -0.921 0.000 2.340 511 G HA2 0.158 4.168 3.960 0.083 0.000 0.298 511 G HA3 0.158 4.168 3.960 0.083 0.000 0.298 511 G C -1.115 173.739 174.900 -0.077 0.000 1.498 511 G CA -0.571 44.274 45.100 -0.425 0.000 0.847 511 G HN 0.496 nan 8.290 nan 0.000 0.594 512 D N -0.313 120.048 120.400 -0.065 0.000 2.347 512 D HA 0.091 4.781 4.640 0.083 0.000 0.213 512 D C 0.074 176.221 176.300 -0.255 0.000 0.985 512 D CA 1.050 54.938 54.000 -0.187 0.000 0.879 512 D CB 0.153 40.748 40.800 -0.341 0.000 0.919 512 D HN 0.365 nan 8.370 nan 0.000 0.526 513 H N 0.358 119.633 119.070 0.342 0.000 2.782 513 H HA 0.192 4.797 4.556 0.083 0.000 0.347 513 H C 0.092 175.665 175.328 0.408 0.000 1.038 513 H CA -0.783 55.466 56.048 0.335 0.000 1.255 513 H CB 1.747 31.633 29.762 0.207 0.000 1.623 513 H HN -0.164 nan 8.280 nan 0.000 0.525 514 L N 4.602 126.024 121.223 0.332 0.000 2.485 514 L HA 0.101 4.491 4.340 0.083 0.000 0.275 514 L C -1.429 175.472 176.870 0.053 0.000 1.207 514 L CA -1.027 53.855 54.840 0.071 0.000 0.855 514 L CB -0.475 41.482 42.059 -0.169 0.000 1.114 514 L HN 0.441 nan 8.230 nan 0.000 0.485 515 P HA 0.067 nan 4.420 nan 0.000 0.269 515 P C 0.221 177.481 177.300 -0.066 0.000 1.215 515 P CA -0.265 62.805 63.100 -0.050 0.000 0.780 515 P CB 0.798 32.390 31.700 -0.181 0.000 0.898 516 A N 2.052 124.858 122.820 -0.024 0.000 1.898 516 A HA -0.107 4.263 4.320 0.083 0.000 0.216 516 A C 1.287 178.838 177.584 -0.055 0.000 1.181 516 A CA 1.302 53.321 52.037 -0.031 0.000 0.620 516 A CB -0.565 18.427 19.000 -0.012 0.000 0.819 516 A HN 0.563 nan 8.150 nan 0.000 0.442 517 E N 0.514 120.676 120.200 -0.062 0.000 2.042 517 E HA 0.382 4.782 4.350 0.083 0.000 0.260 517 E C 0.536 177.067 176.600 -0.116 0.000 0.975 517 E CA -0.178 56.178 56.400 -0.074 0.000 0.799 517 E CB 0.609 30.276 29.700 -0.055 0.000 1.131 517 E HN 0.504 nan 8.360 nan 0.000 0.423 518 L N 1.617 122.762 121.223 -0.129 0.000 2.217 518 L HA -0.032 4.358 4.340 0.083 0.000 0.211 518 L C 2.131 178.892 176.870 -0.181 0.000 1.107 518 L CA 1.004 55.743 54.840 -0.168 0.000 0.783 518 L CB -0.113 41.862 42.059 -0.139 0.000 0.919 518 L HN 0.490 nan 8.230 nan 0.000 0.442 519 G N 0.125 108.839 108.800 -0.143 0.000 2.440 519 G HA2 -0.214 3.796 3.960 0.083 0.000 0.218 519 G HA3 -0.214 3.796 3.960 0.083 0.000 0.218 519 G C 1.592 176.405 174.900 -0.146 0.000 1.154 519 G CA 0.779 45.792 45.100 -0.146 0.000 0.767 519 G HN 0.469 nan 8.290 nan 0.000 0.552 520 G N 0.690 109.421 108.800 -0.116 0.000 2.418 520 G HA2 -0.115 3.895 3.960 0.083 0.000 0.217 520 G HA3 -0.115 3.895 3.960 0.083 0.000 0.217 520 G C 1.739 176.570 174.900 -0.115 0.000 1.158 520 G CA 1.045 46.089 45.100 -0.092 0.000 0.771 520 G HN 0.413 nan 8.290 nan 0.000 0.545 521 L N 0.920 122.046 121.223 -0.163 0.000 1.994 521 L HA -0.025 4.365 4.340 0.083 0.000 0.208 521 L C 2.927 179.651 176.870 -0.244 0.000 1.071 521 L CA 1.573 56.296 54.840 -0.194 0.000 0.745 521 L CB -0.659 41.224 42.059 -0.292 0.000 0.892 521 L HN 0.078 nan 8.230 nan 0.000 0.431 522 V N 0.042 119.728 119.914 -0.380 0.000 2.332 522 V HA -0.299 3.871 4.120 0.083 0.000 0.248 522 V C 2.274 178.161 176.094 -0.345 0.000 1.055 522 V CA 2.035 63.965 62.300 -0.617 0.000 1.038 522 V CB -0.884 30.466 31.823 -0.788 0.000 0.651 522 V HN 0.486 nan 8.190 nan 0.000 0.450 523 D N -0.393 119.887 120.400 -0.200 0.000 2.178 523 D HA -0.138 4.552 4.640 0.083 0.000 0.202 523 D C 2.170 178.455 176.300 -0.025 0.000 0.974 523 D CA 1.130 55.078 54.000 -0.087 0.000 0.841 523 D CB -0.078 40.686 40.800 -0.060 0.000 0.953 523 D HN 0.440 nan 8.370 nan 0.000 0.478 524 K N 1.014 121.397 120.400 -0.028 0.000 2.001 524 K HA -0.111 4.258 4.320 0.083 0.000 0.208 524 K C 2.073 178.733 176.600 0.101 0.000 1.048 524 K CA 1.279 57.587 56.287 0.036 0.000 0.932 524 K CB 0.059 32.582 32.500 0.039 0.000 0.715 524 K HN 0.081 nan 8.250 nan 0.000 0.437 525 V N 0.425 120.396 119.914 0.095 0.000 2.913 525 V HA -0.099 4.071 4.120 0.083 0.000 0.260 525 V C 1.874 178.223 176.094 0.424 0.000 1.098 525 V CA 1.631 64.085 62.300 0.257 0.000 1.121 525 V CB -0.901 31.054 31.823 0.220 0.000 0.714 525 V HN 0.377 nan 8.190 nan 0.000 0.487 526 R N 0.961 121.630 120.500 0.282 0.000 2.393 526 R HA 0.414 4.804 4.340 0.083 0.000 0.244 526 R C 1.309 177.760 176.300 0.251 0.000 0.920 526 R CA 0.566 56.926 56.100 0.434 0.000 1.076 526 R CB -0.087 30.467 30.300 0.422 0.000 1.119 526 R HN 0.772 nan 8.270 nan 0.000 0.524 527 G N 0.301 109.205 108.800 0.175 0.000 2.212 527 G HA2 -0.297 3.713 3.960 0.083 0.000 0.255 527 G HA3 -0.297 3.713 3.960 0.083 0.000 0.255 527 G C 0.529 175.465 174.900 0.060 0.000 1.062 527 G CA 0.177 45.332 45.100 0.092 0.000 0.815 527 G HN 0.560 nan 8.290 nan 0.000 0.497 528 A N -1.105 121.751 122.820 0.060 0.000 2.229 528 A HA 0.838 5.208 4.320 0.083 0.000 0.211 528 A C 1.870 179.469 177.584 0.025 0.000 1.193 528 A CA 1.345 53.405 52.037 0.039 0.000 0.879 528 A CB -0.089 18.935 19.000 0.039 0.000 0.911 528 A HN 2.193 nan 8.150 nan 0.000 0.492 529 A N 0.000 122.835 122.820 0.026 0.000 2.254 529 A HA 0.000 4.370 4.320 0.083 0.000 0.244 529 A CA 0.000 52.048 52.037 0.018 0.000 0.836 529 A CB 0.000 19.015 19.000 0.025 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486