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 3iml_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMANDYLFTS ESVSEGHPDK VADQISDAIL DAILAQDKYS RVAAETLCNT DATA SEQUENCE GLVVLAGEIT TTANIDYIQI ARDTIKRIGY DXXXXXXXXX GCAVLVAYDK DATA SEQUENCE QSPXXXXXXX XXXXXNLDQG AGDQGLMFGY ACDETPELMP LPIHLSHRLV DATA SEQUENCE ERQANLRRDG RLPWLRPDAK SQVTVRYVDG KPHSIDTVVL STQHAPEIDL DATA SEQUENCE PALREAVIEE VIKPTLPADL IKGDIKFLVN PTGRFVIGGP QGDCGLTGRK DATA SEQUENCE IIVDTYGGAA PHGGGAFSGK DPSKVDRSAA YAGRYVAKNI VAAGLASRAL DATA SEQUENCE IQVSYAIGVA EPTSVMVNTF GTGRVSDETI TKLVREHFDL RPKGIIQMLD DATA SEQUENCE LLRPIYEKTA AYGHFGREEP EFSWEAADKA LALAEAAGV 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.617 174.600 0.029 0.000 1.055 0 S CA 0.000 58.219 58.200 0.031 0.000 1.107 0 S CB 0.000 63.218 63.200 0.031 0.000 0.593 1 M N 2.145 121.764 119.600 0.031 0.000 2.264 1 M HA 0.903 5.382 4.480 -0.002 0.000 0.352 1 M C 0.192 176.516 176.300 0.040 0.000 1.173 1 M CA -0.111 55.207 55.300 0.029 0.000 1.075 1 M CB -0.355 32.258 32.600 0.022 0.000 1.621 1 M HN 0.756 nan 8.290 nan 0.000 0.457 2 A N 3.230 126.072 122.820 0.035 0.000 2.462 2 A HA 0.611 4.930 4.320 -0.002 0.000 0.243 2 A C 0.077 177.696 177.584 0.060 0.000 1.076 2 A CA -0.212 51.849 52.037 0.040 0.000 0.773 2 A CB -0.076 18.939 19.000 0.025 0.000 1.010 2 A HN 1.052 nan 8.150 nan 0.000 0.493 3 N N 0.505 119.254 118.700 0.082 0.000 2.331 3 N HA 0.514 5.253 4.740 -0.002 0.000 0.280 3 N C -2.180 173.405 175.510 0.125 0.000 1.155 3 N CA -0.494 52.648 53.050 0.154 0.000 0.822 3 N CB 2.212 40.864 38.487 0.276 0.000 1.619 3 N HN 0.648 nan 8.380 nan 0.000 0.476 4 D N 1.180 121.685 120.400 0.175 0.000 2.613 4 D HA 0.371 5.010 4.640 -0.002 0.000 0.230 4 D C -1.570 174.856 176.300 0.209 0.000 1.365 4 D CA -0.139 53.916 54.000 0.092 0.000 0.976 4 D CB 0.497 41.309 40.800 0.020 0.000 1.415 4 D HN 0.453 nan 8.370 nan 0.000 0.589 5 Y N 0.930 121.282 120.300 0.087 0.000 2.656 5 Y HA 0.630 5.179 4.550 -0.001 0.000 0.334 5 Y C -1.869 174.137 175.900 0.178 0.000 1.179 5 Y CA -1.305 56.857 58.100 0.103 0.000 1.050 5 Y CB 0.986 39.493 38.460 0.078 0.000 1.308 5 Y HN 0.128 nan 8.280 nan 0.000 0.456 6 L N 2.937 124.355 121.223 0.326 0.000 2.307 6 L HA 0.586 4.925 4.340 -0.002 0.000 0.284 6 L C -1.281 175.835 176.870 0.409 0.000 1.023 6 L CA -0.621 54.381 54.840 0.270 0.000 0.810 6 L CB 1.683 43.832 42.059 0.150 0.000 1.231 6 L HN 0.706 nan 8.230 nan 0.000 0.423 7 F N 1.310 121.424 119.950 0.273 0.000 2.556 7 F HA 0.617 5.143 4.527 -0.002 0.000 0.314 7 F C -0.430 175.480 175.800 0.183 0.000 1.106 7 F CA -0.145 57.993 58.000 0.230 0.000 0.911 7 F CB 2.224 41.363 39.000 0.231 0.000 1.190 7 F HN 0.310 nan 8.300 nan 0.000 0.448 8 T N 3.416 117.705 114.554 -0.443 0.000 2.861 8 T HA 0.648 4.997 4.350 -0.002 0.000 0.287 8 T C -1.003 173.560 174.700 -0.228 0.000 1.003 8 T CA -0.696 61.285 62.100 -0.198 0.000 0.977 8 T CB 1.772 70.545 68.868 -0.159 0.000 0.996 8 T HN 0.525 nan 8.240 nan 0.000 0.448 9 S N 1.409 117.107 115.700 -0.005 0.000 2.667 9 S HA 0.737 5.206 4.470 -0.002 0.000 0.292 9 S C -1.014 173.587 174.600 0.001 0.000 1.126 9 S CA -1.098 57.116 58.200 0.023 0.000 0.881 9 S CB 2.069 65.351 63.200 0.136 0.000 1.132 9 S HN 0.897 nan 8.310 nan 0.000 0.492 10 E N -0.500 119.688 120.200 -0.021 0.000 2.393 10 E HA 0.786 5.135 4.350 -0.002 0.000 0.273 10 E C -1.128 175.430 176.600 -0.070 0.000 0.918 10 E CA -0.717 55.665 56.400 -0.030 0.000 0.773 10 E CB 2.032 31.716 29.700 -0.027 0.000 1.275 10 E HN 0.375 nan 8.360 nan 0.000 0.451 11 S N 0.265 115.939 115.700 -0.043 0.000 2.685 11 S HA 0.715 5.184 4.470 -0.002 0.000 0.282 11 S C -1.396 173.223 174.600 0.032 0.000 1.159 11 S CA -0.159 58.032 58.200 -0.016 0.000 0.833 11 S CB 1.677 64.877 63.200 0.000 0.000 1.151 11 S HN 0.954 nan 8.310 nan 0.000 0.485 12 V N 0.688 120.636 119.914 0.057 0.000 3.007 12 V HA 0.917 5.036 4.120 -0.002 0.000 0.311 12 V C 0.033 176.200 176.094 0.121 0.000 1.120 12 V CA -0.371 61.957 62.300 0.045 0.000 0.980 12 V CB 1.261 32.986 31.823 -0.164 0.000 1.033 12 V HN 1.091 nan 8.190 nan 0.000 0.429 13 S N 1.544 117.346 115.700 0.170 0.000 2.634 13 S HA 0.239 4.708 4.470 -0.002 0.000 0.261 13 S C 0.938 175.552 174.600 0.024 0.000 1.271 13 S CA 0.346 58.661 58.200 0.191 0.000 0.985 13 S CB 0.689 64.005 63.200 0.194 0.000 0.968 13 S HN 1.180 nan 8.310 nan 0.000 0.568 14 E N -0.218 119.946 120.200 -0.060 0.000 2.472 14 E HA 0.021 4.370 4.350 -0.002 0.000 0.200 14 E C 1.229 177.860 176.600 0.052 0.000 1.046 14 E CA 0.809 57.149 56.400 -0.100 0.000 0.871 14 E CB -0.670 28.977 29.700 -0.089 0.000 0.806 14 E HN 0.779 nan 8.360 nan 0.000 0.533 15 G N 0.724 109.587 108.800 0.105 0.000 3.233 15 G HA2 -0.082 3.877 3.960 -0.002 0.000 0.234 15 G HA3 -0.082 3.877 3.960 -0.002 0.000 0.234 15 G C 0.116 175.174 174.900 0.263 0.000 1.137 15 G CA -0.433 44.787 45.100 0.200 0.000 0.763 15 G HN 0.266 nan 8.290 nan 0.000 0.549 16 H N 1.555 120.705 119.070 0.133 0.000 2.848 16 H HA 0.102 4.657 4.556 -0.002 0.000 0.341 16 H C -1.501 173.888 175.328 0.102 0.000 1.060 16 H CA -1.198 54.927 56.048 0.128 0.000 1.444 16 H CB 2.142 31.964 29.762 0.100 0.000 1.446 16 H HN -0.060 nan 8.280 nan 0.000 0.583 17 P HA -0.149 nan 4.420 nan 0.000 0.216 17 P C 0.936 178.245 177.300 0.015 0.000 1.150 17 P CA 1.173 64.185 63.100 -0.146 0.000 0.843 17 P CB 0.402 31.967 31.700 -0.226 0.000 0.787 18 D N -0.677 119.827 120.400 0.174 0.000 2.144 18 D HA -0.116 4.524 4.640 -0.002 0.000 0.200 18 D C 1.840 178.237 176.300 0.162 0.000 0.978 18 D CA 1.158 55.278 54.000 0.198 0.000 0.833 18 D CB -0.218 40.739 40.800 0.261 0.000 0.961 18 D HN 0.056 nan 8.370 nan 0.000 0.470 19 K N 0.389 120.916 120.400 0.212 0.000 2.155 19 K HA -0.009 4.310 4.320 -0.002 0.000 0.203 19 K C 2.045 178.698 176.600 0.088 0.000 1.052 19 K CA 0.127 56.482 56.287 0.113 0.000 0.948 19 K CB -0.401 32.145 32.500 0.078 0.000 0.728 19 K HN -0.042 nan 8.250 nan 0.000 0.448 20 V N 0.857 120.832 119.914 0.102 0.000 2.255 20 V HA -0.301 3.818 4.120 -0.002 0.000 0.247 20 V C 2.233 178.369 176.094 0.071 0.000 1.051 20 V CA 2.139 64.494 62.300 0.091 0.000 1.018 20 V CB -0.931 30.941 31.823 0.082 0.000 0.641 20 V HN 0.355 nan 8.190 nan 0.000 0.445 21 A N -0.170 122.686 122.820 0.059 0.000 1.883 21 A HA -0.273 4.046 4.320 -0.002 0.000 0.217 21 A C 2.040 179.663 177.584 0.065 0.000 1.186 21 A CA 2.080 54.147 52.037 0.050 0.000 0.624 21 A CB -0.722 18.299 19.000 0.036 0.000 0.822 21 A HN 0.549 nan 8.150 nan 0.000 0.444 22 D N -0.578 119.866 120.400 0.073 0.000 2.123 22 D HA -0.168 4.472 4.640 -0.002 0.000 0.196 22 D C 2.175 178.532 176.300 0.095 0.000 0.992 22 D CA 1.621 55.674 54.000 0.089 0.000 0.833 22 D CB -0.334 40.527 40.800 0.102 0.000 0.954 22 D HN 0.647 nan 8.370 nan 0.000 0.455 23 Q N -0.131 119.718 119.800 0.081 0.000 2.123 23 Q HA -0.013 4.326 4.340 -0.002 0.000 0.199 23 Q C 2.484 178.539 176.000 0.092 0.000 0.966 23 Q CA 0.526 56.377 55.803 0.081 0.000 0.845 23 Q CB 0.122 28.897 28.738 0.061 0.000 0.907 23 Q HN 0.320 nan 8.270 nan 0.000 0.439 24 I N 0.050 120.673 120.570 0.088 0.000 2.179 24 I HA -0.303 3.866 4.170 -0.002 0.000 0.242 24 I C 2.292 178.477 176.117 0.112 0.000 1.088 24 I CA 0.929 62.287 61.300 0.097 0.000 1.357 24 I CB -0.284 37.767 38.000 0.084 0.000 1.051 24 I HN 0.093 nan 8.210 nan 0.000 0.409 25 S N 0.282 116.044 115.700 0.104 0.000 2.374 25 S HA -0.232 4.237 4.470 -0.002 0.000 0.227 25 S C 1.619 176.284 174.600 0.108 0.000 1.037 25 S CA 1.707 59.972 58.200 0.107 0.000 1.024 25 S CB -0.284 62.969 63.200 0.088 0.000 0.861 25 S HN 0.434 nan 8.310 nan 0.000 0.456 26 D N 0.651 121.122 120.400 0.119 0.000 2.249 26 D HA 0.202 4.841 4.640 -0.002 0.000 0.205 26 D C 2.042 178.432 176.300 0.150 0.000 0.962 26 D CA 0.780 54.866 54.000 0.145 0.000 0.860 26 D CB -0.294 40.618 40.800 0.186 0.000 0.955 26 D HN 0.345 nan 8.370 nan 0.000 0.505 27 A N 0.781 123.678 122.820 0.129 0.000 1.902 27 A HA -0.140 4.179 4.320 -0.002 0.000 0.217 27 A C 2.299 179.956 177.584 0.122 0.000 1.181 27 A CA 0.867 52.975 52.037 0.118 0.000 0.623 27 A CB -0.665 18.397 19.000 0.104 0.000 0.818 27 A HN 0.181 nan 8.150 nan 0.000 0.443 28 I N -0.869 119.784 120.570 0.140 0.000 2.226 28 I HA -0.224 3.945 4.170 -0.002 0.000 0.245 28 I C 2.407 178.595 176.117 0.118 0.000 1.100 28 I CA 1.143 62.541 61.300 0.164 0.000 1.374 28 I CB -0.179 37.955 38.000 0.223 0.000 1.057 28 I HN 0.425 nan 8.210 nan 0.000 0.413 29 L N 0.694 121.975 121.223 0.097 0.000 2.012 29 L HA -0.262 4.077 4.340 -0.002 0.000 0.210 29 L C 1.941 178.877 176.870 0.110 0.000 1.073 29 L CA 2.055 56.939 54.840 0.072 0.000 0.748 29 L CB -0.769 41.317 42.059 0.045 0.000 0.891 29 L HN 0.177 nan 8.230 nan 0.000 0.431 30 D N -0.054 120.434 120.400 0.146 0.000 2.104 30 D HA -0.165 4.474 4.640 -0.002 0.000 0.194 30 D C 2.203 178.554 176.300 0.086 0.000 0.994 30 D CA 1.659 55.744 54.000 0.141 0.000 0.830 30 D CB -0.281 40.597 40.800 0.130 0.000 0.959 30 D HN 0.515 nan 8.370 nan 0.000 0.452 31 A N 0.319 123.183 122.820 0.072 0.000 1.933 31 A HA -0.118 4.201 4.320 -0.002 0.000 0.218 31 A C 2.365 179.964 177.584 0.025 0.000 1.175 31 A CA 0.850 52.911 52.037 0.040 0.000 0.628 31 A CB -0.608 18.410 19.000 0.030 0.000 0.814 31 A HN 0.206 nan 8.150 nan 0.000 0.444 32 I N -0.557 120.036 120.570 0.038 0.000 2.233 32 I HA -0.212 3.957 4.170 -0.002 0.000 0.243 32 I C 2.300 178.429 176.117 0.020 0.000 1.093 32 I CA 0.960 62.275 61.300 0.024 0.000 1.380 32 I CB -0.253 37.765 38.000 0.031 0.000 1.067 32 I HN 0.264 nan 8.210 nan 0.000 0.413 33 L N 0.440 121.683 121.223 0.034 0.000 2.131 33 L HA -0.191 4.148 4.340 -0.002 0.000 0.210 33 L C 2.848 179.723 176.870 0.008 0.000 1.092 33 L CA 1.092 55.947 54.840 0.024 0.000 0.759 33 L CB -0.736 41.364 42.059 0.068 0.000 0.903 33 L HN 0.248 nan 8.230 nan 0.000 0.435 34 A N -0.214 122.617 122.820 0.018 0.000 1.927 34 A HA -0.290 4.029 4.320 -0.002 0.000 0.220 34 A C 2.203 179.785 177.584 -0.002 0.000 1.185 34 A CA 1.991 54.032 52.037 0.007 0.000 0.639 34 A CB -0.420 18.586 19.000 0.010 0.000 0.820 34 A HN 0.548 nan 8.150 nan 0.000 0.451 35 Q N -2.197 117.602 119.800 -0.001 0.000 2.376 35 Q HA 0.045 4.384 4.340 -0.002 0.000 0.206 35 Q C -0.468 175.537 176.000 0.008 0.000 0.921 35 Q CA 0.753 56.557 55.803 0.001 0.000 0.911 35 Q CB 0.487 29.223 28.738 -0.004 0.000 1.032 35 Q HN 0.592 nan 8.270 nan 0.000 0.510 36 D N 0.157 120.560 120.400 0.005 0.000 2.351 36 D HA 0.022 4.661 4.640 -0.002 0.000 0.235 36 D C -0.068 176.221 176.300 -0.020 0.000 1.331 36 D CA -0.139 53.874 54.000 0.021 0.000 0.959 36 D CB 0.624 41.451 40.800 0.044 0.000 1.432 36 D HN 0.056 nan 8.370 nan 0.000 0.544 37 K N 1.765 122.091 120.400 -0.124 0.000 2.525 37 K HA -0.043 4.276 4.320 -0.002 0.000 0.192 37 K C -0.099 176.287 176.600 -0.356 0.000 1.029 37 K CA 0.572 56.708 56.287 -0.251 0.000 1.029 37 K CB -0.018 32.270 32.500 -0.353 0.000 0.814 37 K HN 0.231 nan 8.250 nan 0.000 0.503 38 Y N 1.595 121.907 120.300 0.019 0.000 2.683 38 Y HA 0.303 4.852 4.550 -0.001 0.000 0.297 38 Y C 0.030 175.931 175.900 0.000 0.000 1.147 38 Y CA -0.680 57.426 58.100 0.010 0.000 1.274 38 Y CB 0.463 38.928 38.460 0.008 0.000 1.143 38 Y HN -0.054 nan 8.280 nan 0.000 0.527 39 S N 1.423 117.173 115.700 0.083 0.000 2.584 39 S HA 0.400 4.869 4.470 -0.002 0.000 0.273 39 S C 0.245 174.856 174.600 0.019 0.000 1.311 39 S CA -0.807 57.421 58.200 0.047 0.000 1.034 39 S CB 0.636 63.848 63.200 0.020 0.000 0.939 39 S HN 0.183 nan 8.310 nan 0.000 0.513 40 R N 1.842 122.345 120.500 0.004 0.000 2.255 40 R HA 0.548 4.887 4.340 -0.002 0.000 0.326 40 R C -1.209 175.064 176.300 -0.044 0.000 0.986 40 R CA -0.431 55.657 56.100 -0.021 0.000 0.847 40 R CB 0.705 30.996 30.300 -0.015 0.000 1.111 40 R HN 0.368 nan 8.270 nan 0.000 0.452 41 V N 1.278 121.155 119.914 -0.062 0.000 2.623 41 V HA 0.626 4.745 4.120 -0.002 0.000 0.304 41 V C -0.315 175.735 176.094 -0.073 0.000 1.054 41 V CA -0.994 61.258 62.300 -0.081 0.000 0.882 41 V CB 2.006 33.780 31.823 -0.081 0.000 1.002 41 V HN 0.807 nan 8.190 nan 0.000 0.424 42 A N 3.473 126.258 122.820 -0.059 0.000 3.159 42 A HA 0.822 5.141 4.320 -0.002 0.000 0.330 42 A C 0.152 177.740 177.584 0.007 0.000 1.032 42 A CA -0.001 52.018 52.037 -0.030 0.000 0.841 42 A CB 0.482 19.470 19.000 -0.021 0.000 1.093 42 A HN 1.263 nan 8.150 nan 0.000 0.478 43 A N 1.704 124.533 122.820 0.016 0.000 2.269 43 A HA 0.643 4.962 4.320 -0.002 0.000 0.302 43 A C -0.097 177.557 177.584 0.115 0.000 1.266 43 A CA -0.311 51.791 52.037 0.108 0.000 0.894 43 A CB 0.266 19.309 19.000 0.071 0.000 1.147 43 A HN 0.524 nan 8.150 nan 0.000 0.537 44 E N 1.752 122.025 120.200 0.122 0.000 2.204 44 E HA 0.543 4.892 4.350 -0.002 0.000 0.276 44 E C -0.715 175.898 176.600 0.022 0.000 0.974 44 E CA -0.254 56.176 56.400 0.050 0.000 0.815 44 E CB 1.790 31.502 29.700 0.019 0.000 1.119 44 E HN 0.519 nan 8.360 nan 0.000 0.393 45 T N 2.254 116.815 114.554 0.013 0.000 2.886 45 T HA 0.563 4.912 4.350 -0.002 0.000 0.292 45 T C -0.432 174.259 174.700 -0.014 0.000 1.012 45 T CA -0.635 61.462 62.100 -0.004 0.000 0.982 45 T CB 1.181 70.064 68.868 0.025 0.000 1.018 45 T HN 0.320 nan 8.240 nan 0.000 0.451 46 L N 3.436 124.639 121.223 -0.032 0.000 2.410 46 L HA 0.855 5.194 4.340 -0.002 0.000 0.270 46 L C -1.111 175.737 176.870 -0.037 0.000 0.983 46 L CA -0.603 54.218 54.840 -0.032 0.000 0.822 46 L CB 0.868 42.904 42.059 -0.038 0.000 1.285 46 L HN 1.019 nan 8.230 nan 0.000 0.409 47 C N 1.743 121.021 119.300 -0.037 0.000 2.783 47 C HA 0.774 5.233 4.460 -0.002 0.000 0.312 47 C C -0.487 174.466 174.990 -0.062 0.000 1.182 47 C CA -0.806 58.183 59.018 -0.049 0.000 1.432 47 C CB 0.995 28.707 27.740 -0.047 0.000 1.933 47 C HN 0.896 nan 8.230 nan 0.000 0.473 48 N N -0.229 118.431 118.700 -0.067 0.000 3.379 48 N HA 0.606 5.345 4.740 -0.002 0.000 0.350 48 N C 1.181 176.642 175.510 -0.082 0.000 1.553 48 N CA -0.075 52.934 53.050 -0.068 0.000 0.712 48 N CB 1.184 39.639 38.487 -0.053 0.000 1.880 48 N HN 0.757 nan 8.380 nan 0.000 0.648 49 T N -1.011 113.500 114.554 -0.071 0.000 2.529 49 T HA -0.002 4.347 4.350 -0.002 0.000 0.261 49 T C 1.098 175.758 174.700 -0.068 0.000 1.110 49 T CA 1.626 63.683 62.100 -0.072 0.000 1.192 49 T CB -0.886 67.951 68.868 -0.051 0.000 0.864 49 T HN 0.605 nan 8.240 nan 0.000 0.407 50 G N 0.722 109.492 108.800 -0.050 0.000 4.644 50 G HA2 0.505 4.464 3.960 -0.002 0.000 0.307 50 G HA3 0.505 4.464 3.960 -0.002 0.000 0.307 50 G C -0.816 174.061 174.900 -0.037 0.000 1.331 50 G CA -0.240 44.836 45.100 -0.041 0.000 1.059 50 G HN 0.330 nan 8.290 nan 0.000 0.590 51 L N 0.540 121.737 121.223 -0.044 0.000 2.562 51 L HA 0.623 4.962 4.340 -0.002 0.000 0.266 51 L C -1.419 175.425 176.870 -0.044 0.000 0.949 51 L CA -0.829 53.986 54.840 -0.041 0.000 0.879 51 L CB 2.234 44.268 42.059 -0.041 0.000 1.278 51 L HN -0.094 nan 8.230 nan 0.000 0.404 52 V N 5.319 125.209 119.914 -0.039 0.000 2.495 52 V HA 0.682 4.801 4.120 -0.002 0.000 0.298 52 V C -0.605 175.454 176.094 -0.058 0.000 1.031 52 V CA -0.677 61.598 62.300 -0.041 0.000 0.871 52 V CB 2.121 33.930 31.823 -0.024 0.000 0.988 52 V HN 0.496 nan 8.190 nan 0.000 0.432 53 V N 6.431 126.301 119.914 -0.072 0.000 2.448 53 V HA 0.534 4.653 4.120 -0.002 0.000 0.295 53 V C -0.376 175.629 176.094 -0.147 0.000 1.025 53 V CA -0.520 61.715 62.300 -0.107 0.000 0.859 53 V CB 1.657 33.424 31.823 -0.092 0.000 0.988 53 V HN 0.626 nan 8.190 nan 0.000 0.431 54 L N 4.609 125.676 121.223 -0.260 0.000 2.333 54 L HA 0.952 5.291 4.340 -0.002 0.000 0.280 54 L C 0.062 176.517 176.870 -0.692 0.000 1.004 54 L CA -0.323 54.248 54.840 -0.449 0.000 0.820 54 L CB 1.678 43.391 42.059 -0.577 0.000 1.247 54 L HN 0.789 nan 8.230 nan 0.000 0.416 55 A N 2.172 124.698 122.820 -0.491 0.000 2.593 55 A HA 1.018 5.337 4.320 -0.002 0.000 0.290 55 A C -0.257 177.353 177.584 0.042 0.000 1.126 55 A CA -0.057 51.804 52.037 -0.293 0.000 0.695 55 A CB 1.910 20.820 19.000 -0.150 0.000 1.290 55 A HN 0.984 nan 8.150 nan 0.000 0.414 56 G N -0.469 108.406 108.800 0.126 0.000 2.331 56 G HA2 0.429 4.388 3.960 -0.002 0.000 0.402 56 G HA3 0.429 4.388 3.960 -0.002 0.000 0.402 56 G C -1.650 173.342 174.900 0.154 0.000 1.275 56 G CA -0.465 44.725 45.100 0.149 0.000 1.003 56 G HN 0.931 nan 8.290 nan 0.000 0.500 57 E N -0.594 119.641 120.200 0.058 0.000 2.171 57 E HA 0.789 5.138 4.350 -0.002 0.000 0.271 57 E C -0.206 176.363 176.600 -0.053 0.000 0.916 57 E CA -0.354 56.052 56.400 0.010 0.000 0.774 57 E CB 1.863 31.564 29.700 0.002 0.000 1.128 57 E HN 0.614 nan 8.360 nan 0.000 0.403 58 I N 1.847 122.372 120.570 -0.075 0.000 2.571 58 I HA 0.301 4.470 4.170 -0.002 0.000 0.289 58 I C -0.883 175.203 176.117 -0.050 0.000 1.115 58 I CA -0.572 60.661 61.300 -0.112 0.000 1.045 58 I CB 2.510 40.369 38.000 -0.235 0.000 1.238 58 I HN 0.298 nan 8.210 nan 0.000 0.424 59 T N 3.525 118.060 114.554 -0.031 0.000 2.809 59 T HA 0.584 4.933 4.350 -0.002 0.000 0.296 59 T C -0.424 174.278 174.700 0.005 0.000 1.015 59 T CA -0.477 61.619 62.100 -0.006 0.000 0.954 59 T CB 1.471 70.339 68.868 -0.001 0.000 0.950 59 T HN 0.657 nan 8.240 nan 0.000 0.450 60 T N 0.501 115.064 114.554 0.015 0.000 2.786 60 T HA 0.440 4.789 4.350 -0.002 0.000 0.316 60 T C 0.931 175.648 174.700 0.029 0.000 1.503 60 T CA -0.251 61.864 62.100 0.025 0.000 1.019 60 T CB 1.436 70.317 68.868 0.021 0.000 1.415 60 T HN 0.548 nan 8.240 nan 0.000 0.496 61 T N 0.012 114.585 114.554 0.032 0.000 3.086 61 T HA 0.543 4.892 4.350 -0.002 0.000 0.250 61 T C 0.913 175.624 174.700 0.017 0.000 1.074 61 T CA 0.353 62.469 62.100 0.026 0.000 0.988 61 T CB -0.070 68.816 68.868 0.031 0.000 0.988 61 T HN 0.809 nan 8.240 nan 0.000 0.530 62 A N 2.125 124.952 122.820 0.013 0.000 2.407 62 A HA 0.485 4.804 4.320 -0.002 0.000 0.248 62 A C 0.123 177.692 177.584 -0.025 0.000 1.082 62 A CA -0.563 51.471 52.037 -0.006 0.000 0.785 62 A CB 0.075 19.069 19.000 -0.009 0.000 1.020 62 A HN 0.458 nan 8.150 nan 0.000 0.489 63 N N 1.076 119.747 118.700 -0.049 0.000 2.476 63 N HA 0.509 5.248 4.740 -0.002 0.000 0.257 63 N C -1.573 173.845 175.510 -0.154 0.000 0.970 63 N CA -0.111 52.890 53.050 -0.081 0.000 0.938 63 N CB 1.396 39.854 38.487 -0.049 0.000 1.144 63 N HN 0.430 nan 8.380 nan 0.000 0.500 64 I N 1.055 121.439 120.570 -0.310 0.000 2.498 64 I HA 0.095 4.264 4.170 -0.002 0.000 0.290 64 I C 0.026 175.803 176.117 -0.567 0.000 1.032 64 I CA -0.723 60.309 61.300 -0.448 0.000 1.073 64 I CB 1.856 39.508 38.000 -0.579 0.000 1.251 64 I HN 0.252 nan 8.210 nan 0.000 0.426 65 D N 5.643 125.863 120.400 -0.301 0.000 2.508 65 D HA 0.034 4.673 4.640 -0.002 0.000 0.224 65 D C 0.760 176.990 176.300 -0.117 0.000 1.171 65 D CA 0.178 54.072 54.000 -0.176 0.000 1.006 65 D CB 0.222 40.980 40.800 -0.069 0.000 1.073 65 D HN 0.331 nan 8.370 nan 0.000 0.513 66 Y N 1.922 122.270 120.300 0.080 0.000 2.193 66 Y HA -0.192 4.357 4.550 -0.002 0.000 0.285 66 Y C 2.210 178.161 175.900 0.085 0.000 1.166 66 Y CA 0.832 59.001 58.100 0.115 0.000 1.181 66 Y CB -0.384 38.198 38.460 0.202 0.000 0.976 66 Y HN 0.434 nan 8.280 nan 0.000 0.520 67 I N -0.788 119.903 120.570 0.202 0.000 2.252 67 I HA -0.271 3.898 4.170 -0.002 0.000 0.245 67 I C 2.471 178.639 176.117 0.086 0.000 1.102 67 I CA 1.281 62.654 61.300 0.122 0.000 1.385 67 I CB -0.263 37.790 38.000 0.088 0.000 1.064 67 I HN 0.143 nan 8.210 nan 0.000 0.414 68 Q N 1.360 121.198 119.800 0.063 0.000 2.084 68 Q HA -0.162 4.177 4.340 -0.002 0.000 0.202 68 Q C 2.030 178.061 176.000 0.053 0.000 0.978 68 Q CA 1.838 57.667 55.803 0.044 0.000 0.844 68 Q CB -0.301 28.450 28.738 0.022 0.000 0.898 68 Q HN 0.492 nan 8.270 nan 0.000 0.426 69 I N 0.032 120.641 120.570 0.065 0.000 2.208 69 I HA -0.309 3.860 4.170 -0.002 0.000 0.245 69 I C 2.193 178.365 176.117 0.092 0.000 1.097 69 I CA 1.096 62.443 61.300 0.079 0.000 1.363 69 I CB -0.530 37.529 38.000 0.099 0.000 1.051 69 I HN 0.283 nan 8.210 nan 0.000 0.413 70 A N 0.751 123.636 122.820 0.108 0.000 1.877 70 A HA -0.213 4.106 4.320 -0.002 0.000 0.216 70 A C 2.403 180.031 177.584 0.074 0.000 1.186 70 A CA 1.550 53.643 52.037 0.094 0.000 0.620 70 A CB -0.581 18.473 19.000 0.091 0.000 0.822 70 A HN 0.299 nan 8.150 nan 0.000 0.443 71 R N -0.433 120.106 120.500 0.065 0.000 2.073 71 R HA -0.132 4.207 4.340 -0.002 0.000 0.234 71 R C 1.719 178.054 176.300 0.057 0.000 1.134 71 R CA 1.545 57.678 56.100 0.056 0.000 0.952 71 R CB -0.422 29.905 30.300 0.046 0.000 0.850 71 R HN 0.474 nan 8.270 nan 0.000 0.433 72 D N -0.403 120.029 120.400 0.054 0.000 2.123 72 D HA -0.123 4.516 4.640 -0.002 0.000 0.196 72 D C 1.795 178.128 176.300 0.055 0.000 0.992 72 D CA 1.517 55.545 54.000 0.048 0.000 0.833 72 D CB -0.323 40.502 40.800 0.042 0.000 0.954 72 D HN 0.189 nan 8.370 nan 0.000 0.455 73 T N 0.932 115.526 114.554 0.066 0.000 2.708 73 T HA -0.064 4.285 4.350 -0.002 0.000 0.266 73 T C 2.247 176.997 174.700 0.085 0.000 1.037 73 T CA 0.554 62.698 62.100 0.072 0.000 1.146 73 T CB -0.237 68.679 68.868 0.081 0.000 0.865 73 T HN 0.146 nan 8.240 nan 0.000 0.435 74 I N 1.091 121.720 120.570 0.098 0.000 2.264 74 I HA -0.211 3.958 4.170 -0.002 0.000 0.248 74 I C 2.578 178.780 176.117 0.141 0.000 1.111 74 I CA 1.370 62.756 61.300 0.145 0.000 1.382 74 I CB -0.297 37.776 38.000 0.122 0.000 1.060 74 I HN 0.231 nan 8.210 nan 0.000 0.418 75 K N 0.985 121.438 120.400 0.089 0.000 2.025 75 K HA -0.188 4.131 4.320 -0.002 0.000 0.207 75 K C 2.474 179.092 176.600 0.030 0.000 1.049 75 K CA 1.038 57.362 56.287 0.061 0.000 0.933 75 K CB -0.140 32.388 32.500 0.046 0.000 0.714 75 K HN 0.055 nan 8.250 nan 0.000 0.438 76 R N 1.039 121.558 120.500 0.032 0.000 2.105 76 R HA -0.095 4.244 4.340 -0.002 0.000 0.239 76 R C 2.139 178.438 176.300 -0.001 0.000 1.135 76 R CA 1.545 57.655 56.100 0.016 0.000 0.967 76 R CB -0.386 29.931 30.300 0.029 0.000 0.861 76 R HN 0.357 nan 8.270 nan 0.000 0.442 77 I N -0.955 119.620 120.570 0.008 0.000 2.493 77 I HA -0.139 4.030 4.170 -0.002 0.000 0.254 77 I C 1.508 177.522 176.117 -0.173 0.000 1.160 77 I CA 1.446 62.725 61.300 -0.035 0.000 1.445 77 I CB 0.033 38.055 38.000 0.037 0.000 1.086 77 I HN 0.543 nan 8.210 nan 0.000 0.433 78 G N -0.936 107.754 108.800 -0.184 0.000 2.273 78 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.162 78 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.162 78 G C -0.120 174.603 174.900 -0.295 0.000 1.006 78 G CA -0.692 44.248 45.100 -0.267 0.000 0.704 78 G HN 0.161 nan 8.290 nan 0.000 0.487 79 Y N 2.553 122.855 120.300 0.003 0.000 2.724 79 Y HA 0.519 5.068 4.550 -0.001 0.000 0.332 79 Y C 0.916 176.819 175.900 0.004 0.000 1.276 79 Y CA 0.190 58.291 58.100 0.002 0.000 1.597 79 Y CB -0.259 38.203 38.460 0.003 0.000 1.584 79 Y HN 0.451 nan 8.280 nan 0.000 0.478 91 C N 2.938 122.233 119.300 -0.008 0.000 2.566 91 C HA 0.759 5.218 4.460 -0.002 0.000 0.300 91 C C 1.132 176.117 174.990 -0.009 0.000 1.147 91 C CA 0.104 59.114 59.018 -0.013 0.000 1.644 91 C CB -1.659 26.076 27.740 -0.009 0.000 1.691 91 C HN 1.226 nan 8.230 nan 0.000 0.440 92 A N 3.871 126.683 122.820 -0.013 0.000 2.498 92 A HA 0.521 4.840 4.320 -0.002 0.000 0.239 92 A C -0.145 177.429 177.584 -0.016 0.000 1.068 92 A CA 0.250 52.280 52.037 -0.012 0.000 0.766 92 A CB 0.328 19.319 19.000 -0.016 0.000 1.003 92 A HN 0.858 nan 8.150 nan 0.000 0.497 93 V N 3.408 123.315 119.914 -0.012 0.000 2.487 93 V HA 0.414 4.533 4.120 -0.002 0.000 0.298 93 V C -0.499 175.576 176.094 -0.032 0.000 1.028 93 V CA -0.525 61.764 62.300 -0.019 0.000 0.860 93 V CB 1.342 33.166 31.823 0.001 0.000 0.991 93 V HN 0.800 nan 8.190 nan 0.000 0.427 94 L N 6.536 127.724 121.223 -0.059 0.000 2.280 94 L HA 0.639 4.978 4.340 -0.002 0.000 0.287 94 L C -0.481 176.308 176.870 -0.136 0.000 1.023 94 L CA 0.072 54.866 54.840 -0.077 0.000 0.819 94 L CB 1.541 43.555 42.059 -0.075 0.000 1.212 94 L HN 0.465 nan 8.230 nan 0.000 0.420 95 V N 5.673 125.508 119.914 -0.132 0.000 2.311 95 V HA 0.634 4.753 4.120 -0.002 0.000 0.275 95 V C 0.682 176.646 176.094 -0.218 0.000 1.022 95 V CA 0.084 62.243 62.300 -0.236 0.000 0.830 95 V CB 0.875 32.637 31.823 -0.102 0.000 1.012 95 V HN 0.910 nan 8.190 nan 0.000 0.452 96 A N 4.551 127.176 122.820 -0.326 0.000 2.705 96 A HA 0.511 4.830 4.320 -0.002 0.000 0.294 96 A C -0.224 177.262 177.584 -0.164 0.000 1.039 96 A CA -0.335 51.590 52.037 -0.186 0.000 1.005 96 A CB -0.080 18.835 19.000 -0.142 0.000 1.192 96 A HN 0.603 nan 8.150 nan 0.000 0.513 97 Y N 0.573 120.801 120.300 -0.120 0.000 2.497 97 Y HA 0.214 4.763 4.550 -0.002 0.000 0.334 97 Y C 0.776 176.633 175.900 -0.073 0.000 1.199 97 Y CA -0.160 57.862 58.100 -0.129 0.000 1.425 97 Y CB 0.489 38.813 38.460 -0.226 0.000 1.291 97 Y HN 0.383 nan 8.280 nan 0.000 0.562 98 D N 3.729 124.205 120.400 0.127 0.000 2.422 98 D HA 0.091 4.730 4.640 -0.002 0.000 0.227 98 D C -0.589 175.741 176.300 0.050 0.000 1.190 98 D CA -0.270 53.769 54.000 0.065 0.000 0.905 98 D CB -0.091 40.733 40.800 0.040 0.000 1.034 98 D HN 0.504 nan 8.370 nan 0.000 0.507 99 K N 2.709 123.141 120.400 0.054 0.000 2.156 99 K HA 0.394 4.713 4.320 -0.002 0.000 0.254 99 K C -0.643 175.976 176.600 0.033 0.000 0.950 99 K CA -0.666 55.642 56.287 0.035 0.000 0.849 99 K CB 0.981 33.521 32.500 0.067 0.000 1.100 99 K HN 0.455 nan 8.250 nan 0.000 0.434 100 Q N 1.113 120.927 119.800 0.023 0.000 2.472 100 Q HA 0.276 4.615 4.340 -0.002 0.000 0.281 100 Q C -1.355 174.657 176.000 0.020 0.000 0.997 100 Q CA -0.938 54.879 55.803 0.022 0.000 0.828 100 Q CB 1.363 30.111 28.738 0.016 0.000 1.443 100 Q HN 0.458 nan 8.270 nan 0.000 0.390 101 S N 2.497 118.209 115.700 0.021 0.000 2.580 101 S HA 0.496 4.965 4.470 -0.002 0.000 0.274 101 S C -1.758 172.850 174.600 0.014 0.000 1.329 101 S CA -0.553 57.658 58.200 0.019 0.000 1.036 101 S CB 0.321 63.532 63.200 0.018 0.000 0.919 101 S HN 0.511 nan 8.310 nan 0.000 0.515 116 L N 1.531 122.771 121.223 0.027 0.000 2.265 116 L HA 0.103 4.442 4.340 -0.002 0.000 0.215 116 L C 1.016 177.908 176.870 0.038 0.000 1.117 116 L CA 1.754 56.616 54.840 0.037 0.000 0.782 116 L CB -0.255 41.828 42.059 0.041 0.000 0.914 116 L HN 0.689 nan 8.230 nan 0.000 0.441 117 D N -1.325 119.093 120.400 0.031 0.000 2.328 117 D HA -0.039 4.600 4.640 -0.002 0.000 0.226 117 D C 0.910 177.227 176.300 0.029 0.000 1.066 117 D CA 0.046 54.065 54.000 0.032 0.000 0.861 117 D CB -0.031 40.784 40.800 0.025 0.000 0.912 117 D HN 0.322 nan 8.370 nan 0.000 0.521 118 Q N 0.804 120.619 119.800 0.024 0.000 2.395 118 Q HA 0.219 4.558 4.340 -0.002 0.000 0.271 118 Q C 0.548 176.560 176.000 0.020 0.000 1.026 118 Q CA -0.229 55.584 55.803 0.016 0.000 0.900 118 Q CB 0.680 29.423 28.738 0.009 0.000 1.266 118 Q HN 0.241 nan 8.270 nan 0.000 0.430 119 G N 1.501 110.311 108.800 0.016 0.000 2.539 119 G HA2 0.434 4.393 3.960 -0.002 0.000 0.258 119 G HA3 0.434 4.393 3.960 -0.002 0.000 0.258 119 G C -0.728 174.172 174.900 0.000 0.000 1.202 119 G CA -0.103 45.011 45.100 0.022 0.000 0.851 119 G HN 0.847 nan 8.290 nan 0.000 0.556 120 A N 0.016 122.838 122.820 0.004 0.000 2.477 120 A HA 0.505 4.824 4.320 -0.002 0.000 0.246 120 A C 1.632 179.191 177.584 -0.042 0.000 1.078 120 A CA 0.425 52.425 52.037 -0.061 0.000 0.770 120 A CB 0.513 19.475 19.000 -0.064 0.000 1.011 120 A HN 1.311 nan 8.150 nan 0.000 0.494 121 G N 0.521 109.282 108.800 -0.065 0.000 2.679 121 G HA2 0.265 4.224 3.960 -0.002 0.000 0.212 121 G HA3 0.265 4.224 3.960 -0.002 0.000 0.212 121 G C 0.199 175.078 174.900 -0.034 0.000 1.137 121 G CA 1.115 46.189 45.100 -0.044 0.000 0.787 121 G HN 0.811 nan 8.290 nan 0.000 0.534 122 D N -2.127 118.251 120.400 -0.037 0.000 2.671 122 D HA 0.220 4.859 4.640 -0.002 0.000 0.273 122 D C -0.504 175.800 176.300 0.007 0.000 1.264 122 D CA -0.664 53.328 54.000 -0.015 0.000 0.788 122 D CB 0.642 41.429 40.800 -0.021 0.000 1.324 122 D HN 0.158 nan 8.370 nan 0.000 0.424 123 Q N 0.345 120.160 119.800 0.026 0.000 2.256 123 Q HA 0.724 5.063 4.340 -0.002 0.000 0.232 123 Q C -0.098 175.936 176.000 0.057 0.000 0.965 123 Q CA -0.761 55.074 55.803 0.054 0.000 0.908 123 Q CB 1.782 30.545 28.738 0.042 0.000 1.209 123 Q HN 0.522 nan 8.270 nan 0.000 0.489 124 G N 0.186 109.037 108.800 0.085 0.000 2.340 124 G HA2 0.355 4.314 3.960 -0.002 0.000 0.298 124 G HA3 0.355 4.314 3.960 -0.002 0.000 0.298 124 G C -2.399 172.547 174.900 0.077 0.000 1.498 124 G CA -0.891 44.256 45.100 0.078 0.000 0.847 124 G HN 0.560 nan 8.290 nan 0.000 0.594 125 L N 0.076 121.323 121.223 0.041 0.000 2.329 125 L HA 0.972 5.312 4.340 -0.002 0.000 0.279 125 L C -0.495 176.342 176.870 -0.056 0.000 1.014 125 L CA -0.684 54.124 54.840 -0.052 0.000 0.814 125 L CB 1.713 43.723 42.059 -0.081 0.000 1.257 125 L HN 0.598 nan 8.230 nan 0.000 0.424 126 M N 4.868 124.376 119.600 -0.155 0.000 2.457 126 M HA 0.532 5.011 4.480 -0.002 0.000 0.300 126 M C -1.323 174.812 176.300 -0.276 0.000 1.141 126 M CA 0.080 55.328 55.300 -0.086 0.000 0.901 126 M CB 2.099 34.741 32.600 0.070 0.000 1.687 126 M HN 0.236 nan 8.290 nan 0.000 0.449 127 F N 0.240 120.228 119.950 0.064 0.000 2.480 127 F HA 0.850 5.376 4.527 -0.002 0.000 0.329 127 F C 0.722 176.603 175.800 0.135 0.000 1.091 127 F CA -0.713 57.331 58.000 0.073 0.000 0.972 127 F CB 2.083 41.120 39.000 0.060 0.000 1.150 127 F HN 0.606 nan 8.300 nan 0.000 0.467 128 G N 1.489 110.448 108.800 0.265 0.000 2.482 128 G HA2 0.567 4.526 3.960 -0.002 0.000 0.317 128 G HA3 0.567 4.526 3.960 -0.002 0.000 0.317 128 G C -2.558 172.384 174.900 0.069 0.000 1.241 128 G CA -0.607 44.592 45.100 0.165 0.000 0.967 128 G HN 0.502 nan 8.290 nan 0.000 0.482 129 Y N 0.187 120.278 120.300 -0.348 0.000 2.544 129 Y HA 0.698 5.248 4.550 -0.001 0.000 0.342 129 Y C -0.717 175.013 175.900 -0.283 0.000 1.062 129 Y CA -0.731 57.069 58.100 -0.501 0.000 1.023 129 Y CB 2.317 40.143 38.460 -1.057 0.000 1.308 129 Y HN 1.049 nan 8.280 nan 0.000 0.457 130 A N 2.757 125.019 122.820 -0.930 0.000 2.566 130 A HA 0.800 5.119 4.320 -0.002 0.000 0.297 130 A C -1.324 175.815 177.584 -0.742 0.000 1.059 130 A CA -0.105 51.577 52.037 -0.591 0.000 0.691 130 A CB 0.242 19.089 19.000 -0.255 0.000 1.282 130 A HN 1.523 nan 8.150 nan 0.000 0.401 131 C N 0.295 119.344 119.300 -0.418 0.000 3.291 131 C HA 0.836 5.295 4.460 -0.002 0.000 0.316 131 C C 0.040 174.967 174.990 -0.105 0.000 1.391 131 C CA -0.080 58.787 59.018 -0.253 0.000 1.394 131 C CB 1.724 29.348 27.740 -0.193 0.000 1.744 131 C HN 0.964 nan 8.230 nan 0.000 0.461 132 D N -0.664 119.700 120.400 -0.060 0.000 2.352 132 D HA 0.040 4.680 4.640 -0.002 0.000 0.236 132 D C 0.940 177.230 176.300 -0.017 0.000 1.148 132 D CA 0.108 54.088 54.000 -0.034 0.000 0.844 132 D CB -0.477 40.308 40.800 -0.024 0.000 0.933 132 D HN 0.811 nan 8.370 nan 0.000 0.507 133 E N -0.104 120.095 120.200 -0.002 0.000 2.358 133 E HA -0.005 4.344 4.350 -0.002 0.000 0.195 133 E C 0.362 176.945 176.600 -0.027 0.000 1.010 133 E CA 0.793 57.202 56.400 0.015 0.000 0.856 133 E CB 0.244 29.989 29.700 0.075 0.000 0.795 133 E HN 0.483 nan 8.360 nan 0.000 0.504 134 T N -3.411 111.103 114.554 -0.067 0.000 2.896 134 T HA 0.260 4.609 4.350 -0.002 0.000 0.297 134 T C -2.540 172.097 174.700 -0.105 0.000 1.108 134 T CA -2.090 59.919 62.100 -0.152 0.000 1.004 134 T CB 1.976 70.611 68.868 -0.389 0.000 1.159 134 T HN -0.349 nan 8.240 nan 0.000 0.499 135 P HA -0.016 nan 4.420 nan 0.000 0.219 135 P C 0.817 178.101 177.300 -0.026 0.000 1.146 135 P CA 0.961 64.035 63.100 -0.042 0.000 0.808 135 P CB 0.052 31.740 31.700 -0.021 0.000 0.779 136 E N -1.041 119.136 120.200 -0.039 0.000 2.502 136 E HA 0.114 4.463 4.350 -0.002 0.000 0.194 136 E C 0.516 177.141 176.600 0.040 0.000 1.062 136 E CA 0.040 56.456 56.400 0.027 0.000 0.867 136 E CB -0.498 29.253 29.700 0.085 0.000 0.888 136 E HN 0.079 nan 8.360 nan 0.000 0.510 137 L N -0.266 120.955 121.223 -0.004 0.000 3.600 137 L HA -0.196 4.143 4.340 -0.002 0.000 0.424 137 L C -0.603 176.284 176.870 0.028 0.000 1.260 137 L CA 0.028 54.862 54.840 -0.009 0.000 0.883 137 L CB -1.490 40.560 42.059 -0.014 0.000 1.895 137 L HN 0.237 nan 8.230 nan 0.000 0.827 138 M N 0.403 120.041 119.600 0.064 0.000 2.598 138 M HA 0.577 5.056 4.480 -0.002 0.000 0.317 138 M C -2.188 174.215 176.300 0.171 0.000 1.179 138 M CA -2.016 53.398 55.300 0.190 0.000 0.936 138 M CB 1.803 34.583 32.600 0.300 0.000 1.713 138 M HN -0.243 nan 8.290 nan 0.000 0.460 139 P HA 0.029 nan 4.420 nan 0.000 0.268 139 P C 0.733 178.197 177.300 0.274 0.000 1.205 139 P CA -0.261 63.000 63.100 0.268 0.000 0.771 139 P CB 0.832 32.727 31.700 0.325 0.000 0.858 140 L N 5.515 126.883 121.223 0.242 0.000 2.012 140 L HA -0.079 4.261 4.340 -0.002 0.000 0.210 140 L C -0.868 176.172 176.870 0.283 0.000 1.073 140 L CA 2.706 57.683 54.840 0.229 0.000 0.748 140 L CB -2.228 39.914 42.059 0.137 0.000 0.891 140 L HN 0.341 nan 8.230 nan 0.000 0.431 141 P HA -0.132 nan 4.420 nan 0.000 0.217 141 P C 1.893 179.322 177.300 0.216 0.000 1.151 141 P CA 1.069 64.333 63.100 0.273 0.000 0.828 141 P CB -0.056 31.872 31.700 0.380 0.000 0.788 142 I N -1.047 119.670 120.570 0.245 0.000 2.315 142 I HA -0.204 3.965 4.170 -0.002 0.000 0.248 142 I C 2.251 178.454 176.117 0.145 0.000 1.117 142 I CA 1.550 62.926 61.300 0.127 0.000 1.404 142 I CB -1.094 37.034 38.000 0.213 0.000 1.071 142 I HN -0.057 nan 8.210 nan 0.000 0.419 143 H N 0.445 119.640 119.070 0.207 0.000 2.267 143 H HA -0.140 4.415 4.556 -0.002 0.000 0.297 143 H C 2.133 177.568 175.328 0.177 0.000 1.080 143 H CA 2.453 58.643 56.048 0.236 0.000 1.278 143 H CB -0.352 29.532 29.762 0.203 0.000 1.365 143 H HN 0.336 nan 8.280 nan 0.000 0.489 144 L N -0.596 120.719 121.223 0.153 0.000 2.083 144 L HA -0.178 4.161 4.340 -0.002 0.000 0.209 144 L C 2.619 179.507 176.870 0.029 0.000 1.083 144 L CA 1.284 56.160 54.840 0.060 0.000 0.752 144 L CB -0.484 41.647 42.059 0.120 0.000 0.899 144 L HN 0.294 nan 8.230 nan 0.000 0.433 145 S N -1.374 114.343 115.700 0.029 0.000 2.356 145 S HA -0.181 4.288 4.470 -0.002 0.000 0.223 145 S C 1.905 176.520 174.600 0.025 0.000 1.032 145 S CA 0.919 59.117 58.200 -0.003 0.000 1.005 145 S CB -0.349 62.808 63.200 -0.072 0.000 0.867 145 S HN 0.447 nan 8.310 nan 0.000 0.449 146 H N 1.630 120.744 119.070 0.073 0.000 2.290 146 H HA 0.025 4.580 4.556 -0.002 0.000 0.298 146 H C 2.398 177.719 175.328 -0.011 0.000 1.087 146 H CA 1.354 57.456 56.048 0.089 0.000 1.291 146 H CB -0.276 29.545 29.762 0.099 0.000 1.369 146 H HN 0.204 nan 8.280 nan 0.000 0.492 147 R N 0.625 121.136 120.500 0.018 0.000 2.096 147 R HA -0.065 4.274 4.340 -0.002 0.000 0.235 147 R C 2.760 179.028 176.300 -0.054 0.000 1.127 147 R CA 0.394 56.439 56.100 -0.091 0.000 0.968 147 R CB -0.946 29.250 30.300 -0.174 0.000 0.861 147 R HN 0.333 nan 8.270 nan 0.000 0.440 148 L N 0.777 121.998 121.223 -0.004 0.000 2.046 148 L HA -0.161 4.179 4.340 -0.002 0.000 0.208 148 L C 2.461 179.343 176.870 0.020 0.000 1.077 148 L CA 1.332 56.180 54.840 0.013 0.000 0.747 148 L CB -0.550 41.535 42.059 0.044 0.000 0.896 148 L HN 0.037 nan 8.230 nan 0.000 0.432 149 V N -3.990 115.965 119.914 0.068 0.000 2.667 149 V HA -0.136 3.983 4.120 -0.002 0.000 0.252 149 V C 2.026 178.124 176.094 0.006 0.000 1.065 149 V CA 1.168 63.537 62.300 0.116 0.000 1.083 149 V CB -0.609 31.369 31.823 0.258 0.000 0.692 149 V HN 0.409 nan 8.190 nan 0.000 0.468 150 E N 0.769 120.839 120.200 -0.217 0.000 2.077 150 E HA -0.237 4.112 4.350 -0.002 0.000 0.193 150 E C 2.348 178.798 176.600 -0.249 0.000 0.989 150 E CA 1.474 57.567 56.400 -0.511 0.000 0.800 150 E CB -0.155 29.199 29.700 -0.577 0.000 0.746 150 E HN 0.533 nan 8.360 nan 0.000 0.452 151 R N 1.616 122.024 120.500 -0.153 0.000 2.083 151 R HA -0.227 4.112 4.340 -0.002 0.000 0.237 151 R C 2.317 178.558 176.300 -0.098 0.000 1.137 151 R CA 2.259 58.294 56.100 -0.109 0.000 0.951 151 R CB -0.402 29.853 30.300 -0.075 0.000 0.851 151 R HN 0.119 nan 8.270 nan 0.000 0.434 152 Q N -0.271 119.486 119.800 -0.071 0.000 2.170 152 Q HA 0.004 4.343 4.340 -0.002 0.000 0.203 152 Q C 1.871 177.818 176.000 -0.090 0.000 0.976 152 Q CA 2.022 57.780 55.803 -0.075 0.000 0.858 152 Q CB -0.666 28.052 28.738 -0.034 0.000 0.907 152 Q HN 0.324 nan 8.270 nan 0.000 0.433 153 A N 1.095 123.877 122.820 -0.063 0.000 1.877 153 A HA -0.218 4.101 4.320 -0.002 0.000 0.216 153 A C 1.964 179.494 177.584 -0.090 0.000 1.186 153 A CA 1.579 53.585 52.037 -0.052 0.000 0.620 153 A CB -0.808 18.203 19.000 0.020 0.000 0.822 153 A HN 0.515 nan 8.150 nan 0.000 0.443 154 N N 0.016 118.649 118.700 -0.111 0.000 2.069 154 N HA -0.137 4.602 4.740 -0.002 0.000 0.191 154 N C 1.429 176.871 175.510 -0.112 0.000 1.031 154 N CA 1.419 54.404 53.050 -0.107 0.000 0.852 154 N CB -0.550 37.870 38.487 -0.111 0.000 1.018 154 N HN 0.311 nan 8.380 nan 0.000 0.423 155 L N 1.212 122.357 121.223 -0.130 0.000 2.141 155 L HA -0.007 4.333 4.340 -0.002 0.000 0.209 155 L C 2.425 179.173 176.870 -0.203 0.000 1.094 155 L CA 1.058 55.802 54.840 -0.160 0.000 0.763 155 L CB -0.741 41.212 42.059 -0.176 0.000 0.908 155 L HN 0.162 nan 8.230 nan 0.000 0.437 156 R N -0.296 120.084 120.500 -0.201 0.000 2.070 156 R HA -0.130 4.209 4.340 -0.002 0.000 0.232 156 R C 2.434 178.643 176.300 -0.151 0.000 1.138 156 R CA 1.478 57.455 56.100 -0.205 0.000 0.936 156 R CB -0.100 30.096 30.300 -0.173 0.000 0.839 156 R HN 0.212 nan 8.270 nan 0.000 0.429 157 R N 0.288 120.718 120.500 -0.117 0.000 2.092 157 R HA -0.110 4.229 4.340 -0.002 0.000 0.231 157 R C 1.421 177.672 176.300 -0.082 0.000 1.119 157 R CA 1.584 57.631 56.100 -0.089 0.000 0.970 157 R CB -0.222 30.036 30.300 -0.070 0.000 0.864 157 R HN 0.521 nan 8.270 nan 0.000 0.440 158 D N -1.260 119.088 120.400 -0.087 0.000 2.328 158 D HA 0.058 4.697 4.640 -0.002 0.000 0.226 158 D C 1.024 177.277 176.300 -0.079 0.000 1.066 158 D CA 0.652 54.607 54.000 -0.074 0.000 0.861 158 D CB 0.300 41.059 40.800 -0.068 0.000 0.912 158 D HN 0.246 nan 8.370 nan 0.000 0.521 159 G N 0.680 109.419 108.800 -0.102 0.000 2.162 159 G HA2 -0.430 3.529 3.960 -0.002 0.000 0.260 159 G HA3 -0.430 3.529 3.960 -0.002 0.000 0.260 159 G C 1.253 176.087 174.900 -0.111 0.000 0.976 159 G CA 0.369 45.407 45.100 -0.102 0.000 0.655 159 G HN 0.415 nan 8.290 nan 0.000 0.533 160 R N -0.652 119.776 120.500 -0.120 0.000 2.081 160 R HA 0.105 4.445 4.340 -0.002 0.000 0.235 160 R C 1.029 177.225 176.300 -0.174 0.000 1.131 160 R CA 1.206 57.239 56.100 -0.113 0.000 0.960 160 R CB -0.120 30.120 30.300 -0.099 0.000 0.856 160 R HN 0.452 nan 8.270 nan 0.000 0.436 161 L N 1.737 122.767 121.223 -0.322 0.000 2.502 161 L HA 0.267 4.606 4.340 -0.002 0.000 0.247 161 L C -1.849 174.575 176.870 -0.743 0.000 1.180 161 L CA -1.498 52.931 54.840 -0.684 0.000 0.956 161 L CB 1.797 43.335 42.059 -0.868 0.000 1.282 161 L HN -0.056 nan 8.230 nan 0.000 0.470 162 P HA -0.122 nan 4.420 nan 0.000 0.229 162 P C 1.261 178.467 177.300 -0.157 0.000 1.160 162 P CA 0.813 63.771 63.100 -0.236 0.000 0.777 162 P CB 0.027 31.682 31.700 -0.076 0.000 0.814 163 W N -0.257 121.041 121.300 -0.003 0.000 2.800 163 W HA 0.155 4.814 4.660 -0.002 0.000 0.249 163 W C 0.335 176.867 176.519 0.023 0.000 1.294 163 W CA -0.474 56.880 57.345 0.015 0.000 1.402 163 W CB -1.464 28.009 29.460 0.021 0.000 1.126 163 W HN -0.204 nan 8.180 nan 0.000 0.652 164 L N 2.050 123.108 121.223 -0.275 0.000 2.461 164 L HA 0.193 4.532 4.340 -0.002 0.000 0.272 164 L C 0.596 177.418 176.870 -0.080 0.000 1.197 164 L CA 0.337 55.083 54.840 -0.158 0.000 0.836 164 L CB 0.063 41.901 42.059 -0.369 0.000 1.105 164 L HN -0.222 nan 8.230 nan 0.000 0.477 165 R N 1.964 122.425 120.500 -0.066 0.000 2.939 165 R HA 0.369 4.708 4.340 -0.002 0.000 0.254 165 R C -1.821 174.381 176.300 -0.163 0.000 1.123 165 R CA -1.364 54.666 56.100 -0.116 0.000 1.020 165 R CB 0.924 31.171 30.300 -0.089 0.000 1.206 165 R HN 0.177 nan 8.270 nan 0.000 0.491 166 P HA -0.100 nan 4.420 nan 0.000 0.216 166 P C -0.459 176.793 177.300 -0.080 0.000 1.153 166 P CA 1.119 64.079 63.100 -0.233 0.000 0.848 166 P CB 0.136 31.488 31.700 -0.580 0.000 0.787 167 D N -0.055 120.326 120.400 -0.032 0.000 2.383 167 D HA 0.381 5.020 4.640 -0.002 0.000 0.252 167 D C -0.437 175.849 176.300 -0.023 0.000 1.166 167 D CA 0.261 54.294 54.000 0.055 0.000 0.879 167 D CB 0.173 41.044 40.800 0.119 0.000 1.164 167 D HN 0.016 nan 8.370 nan 0.000 0.462 168 A N 3.402 126.305 122.820 0.137 0.000 2.612 168 A HA 0.649 4.968 4.320 -0.002 0.000 0.293 168 A C -1.116 176.603 177.584 0.225 0.000 1.075 168 A CA -0.861 51.276 52.037 0.167 0.000 0.680 168 A CB 1.433 20.490 19.000 0.094 0.000 1.279 168 A HN 0.459 nan 8.150 nan 0.000 0.411 169 K N 0.567 121.099 120.400 0.221 0.000 2.422 169 K HA 0.721 5.040 4.320 -0.002 0.000 0.251 169 K C -0.720 175.958 176.600 0.131 0.000 0.933 169 K CA -0.505 55.879 56.287 0.161 0.000 0.798 169 K CB 2.354 34.951 32.500 0.163 0.000 1.238 169 K HN 0.927 nan 8.250 nan 0.000 0.428 170 S N 1.252 117.008 115.700 0.095 0.000 2.599 170 S HA 0.495 4.964 4.470 -0.002 0.000 0.294 170 S C -1.003 173.630 174.600 0.055 0.000 1.094 170 S CA -0.809 57.440 58.200 0.083 0.000 0.931 170 S CB 2.204 65.453 63.200 0.081 0.000 1.093 170 S HN 0.620 nan 8.310 nan 0.000 0.488 171 Q N 1.145 120.980 119.800 0.058 0.000 2.280 171 Q HA 0.544 4.883 4.340 -0.002 0.000 0.259 171 Q C -2.234 173.798 176.000 0.053 0.000 0.964 171 Q CA -0.591 55.236 55.803 0.041 0.000 0.844 171 Q CB 2.064 30.820 28.738 0.030 0.000 1.334 171 Q HN 0.721 nan 8.270 nan 0.000 0.423 172 V N 2.764 122.710 119.914 0.055 0.000 2.444 172 V HA 0.491 4.610 4.120 -0.002 0.000 0.294 172 V C -0.368 175.772 176.094 0.077 0.000 1.022 172 V CA -0.503 61.840 62.300 0.072 0.000 0.850 172 V CB 1.911 33.788 31.823 0.089 0.000 0.992 172 V HN 0.781 nan 8.190 nan 0.000 0.426 173 T N 4.652 119.245 114.554 0.065 0.000 2.756 173 T HA 0.508 4.857 4.350 -0.002 0.000 0.290 173 T C -0.266 174.486 174.700 0.087 0.000 0.985 173 T CA -0.243 61.901 62.100 0.074 0.000 0.955 173 T CB 1.298 70.190 68.868 0.040 0.000 0.930 173 T HN 0.350 nan 8.240 nan 0.000 0.451 174 V N 4.660 124.668 119.914 0.157 0.000 2.398 174 V HA 0.430 4.549 4.120 -0.002 0.000 0.286 174 V C 0.528 176.684 176.094 0.103 0.000 1.026 174 V CA -0.960 61.391 62.300 0.086 0.000 0.868 174 V CB 1.405 33.259 31.823 0.050 0.000 0.982 174 V HN 0.695 nan 8.190 nan 0.000 0.443 175 R N 4.257 124.752 120.500 -0.008 0.000 2.242 175 R HA 0.291 4.630 4.340 -0.002 0.000 0.334 175 R C -1.350 174.855 176.300 -0.159 0.000 1.071 175 R CA -0.212 55.877 56.100 -0.019 0.000 0.922 175 R CB 0.222 30.531 30.300 0.016 0.000 1.023 175 R HN 0.652 nan 8.270 nan 0.000 0.458 176 Y N 2.845 122.925 120.300 -0.367 0.000 2.323 176 Y HA 0.336 4.885 4.550 -0.001 0.000 0.331 176 Y C 0.071 175.730 175.900 -0.401 0.000 1.092 176 Y CA -0.597 57.230 58.100 -0.455 0.000 1.150 176 Y CB 1.946 39.868 38.460 -0.898 0.000 1.200 176 Y HN 0.186 nan 8.280 nan 0.000 0.472 177 V N 3.207 123.076 119.914 -0.074 0.000 2.531 177 V HA 0.204 4.324 4.120 -0.002 0.000 0.301 177 V C -0.766 175.337 176.094 0.016 0.000 1.034 177 V CA -1.130 61.128 62.300 -0.070 0.000 0.865 177 V CB 1.571 33.282 31.823 -0.187 0.000 0.995 177 V HN 0.884 nan 8.190 nan 0.000 0.424 178 D N 4.004 124.433 120.400 0.049 0.000 2.772 178 D HA -0.177 4.462 4.640 -0.002 0.000 0.233 178 D C 1.281 177.643 176.300 0.103 0.000 1.143 178 D CA 1.863 55.906 54.000 0.072 0.000 0.700 178 D CB -1.172 39.654 40.800 0.043 0.000 1.076 178 D HN 1.476 nan 8.370 nan 0.000 0.430 179 G N -2.139 106.759 108.800 0.164 0.000 2.162 179 G HA2 -0.084 3.875 3.960 -0.002 0.000 0.260 179 G HA3 -0.084 3.875 3.960 -0.002 0.000 0.260 179 G C 0.359 175.396 174.900 0.228 0.000 0.976 179 G CA 1.332 46.543 45.100 0.185 0.000 0.655 179 G HN 1.107 nan 8.290 nan 0.000 0.533 180 K N -0.123 120.406 120.400 0.216 0.000 2.422 180 K HA 0.877 5.196 4.320 -0.002 0.000 0.251 180 K C -2.968 173.622 176.600 -0.017 0.000 0.933 180 K CA -1.477 54.901 56.287 0.151 0.000 0.798 180 K CB 1.561 34.102 32.500 0.068 0.000 1.238 180 K HN 0.072 nan 8.250 nan 0.000 0.428 181 P HA 0.099 nan 4.420 nan 0.000 0.265 181 P C -0.168 177.010 177.300 -0.204 0.000 1.193 181 P CA 0.220 63.002 63.100 -0.531 0.000 0.765 181 P CB 0.536 31.994 31.700 -0.403 0.000 0.823 182 H N 1.158 120.056 119.070 -0.287 0.000 2.408 182 H HA 0.179 4.734 4.556 -0.001 0.000 0.271 182 H C -0.009 175.243 175.328 -0.128 0.000 0.957 182 H CA 0.501 56.453 56.048 -0.159 0.000 1.170 182 H CB 0.973 30.660 29.762 -0.126 0.000 1.458 182 H HN 0.466 nan 8.280 nan 0.000 0.491 183 S N 0.586 116.212 115.700 -0.124 0.000 2.588 183 S HA 0.406 4.875 4.470 -0.002 0.000 0.269 183 S C -1.130 173.420 174.600 -0.082 0.000 1.157 183 S CA -1.018 57.100 58.200 -0.137 0.000 0.824 183 S CB 1.934 65.080 63.200 -0.091 0.000 1.126 183 S HN 0.104 nan 8.310 nan 0.000 0.464 184 I N 2.743 123.272 120.570 -0.067 0.000 2.312 184 I HA 0.297 4.467 4.170 -0.002 0.000 0.291 184 I C 1.289 177.372 176.117 -0.056 0.000 1.031 184 I CA -0.086 61.189 61.300 -0.041 0.000 1.293 184 I CB 0.684 38.676 38.000 -0.014 0.000 1.403 184 I HN 0.999 nan 8.210 nan 0.000 0.484 185 D N 4.512 124.891 120.400 -0.034 0.000 2.144 185 D HA -0.037 4.602 4.640 -0.002 0.000 0.207 185 D C -0.163 176.091 176.300 -0.077 0.000 0.970 185 D CA 1.180 55.154 54.000 -0.043 0.000 0.853 185 D CB 0.904 41.700 40.800 -0.006 0.000 1.007 185 D HN 0.484 nan 8.370 nan 0.000 0.469 186 T N 0.427 114.953 114.554 -0.046 0.000 2.952 186 T HA 0.453 4.802 4.350 -0.002 0.000 0.305 186 T C -0.849 173.855 174.700 0.007 0.000 1.064 186 T CA -0.653 61.420 62.100 -0.045 0.000 1.008 186 T CB 2.779 71.638 68.868 -0.014 0.000 1.078 186 T HN -0.190 nan 8.240 nan 0.000 0.459 187 V N 3.062 123.002 119.914 0.043 0.000 2.444 187 V HA 0.528 4.647 4.120 -0.002 0.000 0.294 187 V C -0.323 175.859 176.094 0.146 0.000 1.022 187 V CA -0.758 61.620 62.300 0.130 0.000 0.850 187 V CB 1.814 33.782 31.823 0.241 0.000 0.992 187 V HN 0.764 nan 8.190 nan 0.000 0.426 188 V N 6.284 126.264 119.914 0.111 0.000 2.472 188 V HA 0.597 4.716 4.120 -0.002 0.000 0.290 188 V C -0.347 175.818 176.094 0.118 0.000 1.037 188 V CA -0.557 61.809 62.300 0.110 0.000 0.908 188 V CB 1.740 33.611 31.823 0.080 0.000 0.985 188 V HN 0.704 nan 8.190 nan 0.000 0.454 189 L N 3.758 125.059 121.223 0.130 0.000 2.482 189 L HA 0.564 4.904 4.340 -0.002 0.000 0.269 189 L C -0.448 176.520 176.870 0.162 0.000 0.967 189 L CA 0.219 55.139 54.840 0.134 0.000 0.851 189 L CB 2.129 44.257 42.059 0.116 0.000 1.242 189 L HN 0.677 nan 8.230 nan 0.000 0.404 190 S N 1.975 117.796 115.700 0.202 0.000 2.454 190 S HA 0.699 5.168 4.470 -0.002 0.000 0.306 190 S C -0.567 174.226 174.600 0.322 0.000 1.100 190 S CA -0.422 57.960 58.200 0.302 0.000 1.087 190 S CB 1.771 65.177 63.200 0.344 0.000 1.019 190 S HN 0.602 nan 8.310 nan 0.000 0.480 191 T N 2.334 117.063 114.554 0.292 0.000 2.912 191 T HA 0.369 4.718 4.350 -0.002 0.000 0.299 191 T C -0.826 173.719 174.700 -0.258 0.000 1.052 191 T CA -0.596 61.528 62.100 0.041 0.000 0.996 191 T CB 1.403 70.326 68.868 0.091 0.000 1.070 191 T HN 0.636 nan 8.240 nan 0.000 0.465 192 Q N 2.138 121.432 119.800 -0.843 0.000 2.454 192 Q HA 0.417 4.756 4.340 -0.002 0.000 0.247 192 Q C -0.709 175.193 176.000 -0.163 0.000 1.028 192 Q CA 0.164 55.421 55.803 -0.909 0.000 0.910 192 Q CB 0.320 28.578 28.738 -0.801 0.000 1.276 192 Q HN 0.915 nan 8.270 nan 0.000 0.489 193 H N -1.675 117.355 119.070 -0.067 0.000 3.003 193 H HA 0.613 5.168 4.556 -0.002 0.000 0.327 193 H C -1.694 173.701 175.328 0.112 0.000 1.353 193 H CA -0.562 55.557 56.048 0.118 0.000 1.142 193 H CB 0.467 30.367 29.762 0.231 0.000 1.864 193 H HN 0.681 nan 8.280 nan 0.000 0.529 194 A N 1.408 124.420 122.820 0.320 0.000 2.445 194 A HA 0.328 4.647 4.320 -0.002 0.000 0.242 194 A C -1.475 176.264 177.584 0.258 0.000 1.075 194 A CA -1.024 51.139 52.037 0.210 0.000 0.777 194 A CB -0.263 18.866 19.000 0.215 0.000 1.013 194 A HN 0.761 nan 8.150 nan 0.000 0.493 195 P HA -0.138 nan 4.420 nan 0.000 0.225 195 P C 0.723 178.088 177.300 0.108 0.000 1.148 195 P CA 1.025 64.205 63.100 0.133 0.000 0.779 195 P CB 0.140 31.884 31.700 0.073 0.000 0.780 196 E N -0.245 120.009 120.200 0.090 0.000 2.204 196 E HA -0.107 4.242 4.350 -0.002 0.000 0.195 196 E C 1.113 177.693 176.600 -0.033 0.000 0.990 196 E CA 0.341 56.763 56.400 0.035 0.000 0.821 196 E CB -0.733 28.996 29.700 0.048 0.000 0.750 196 E HN 0.323 nan 8.360 nan 0.000 0.477 197 I N 3.453 123.980 120.570 -0.071 0.000 2.428 197 I HA -0.007 4.162 4.170 -0.002 0.000 0.289 197 I C -0.019 175.935 176.117 -0.272 0.000 1.019 197 I CA -0.769 60.353 61.300 -0.296 0.000 1.351 197 I CB 0.754 38.377 38.000 -0.628 0.000 1.412 197 I HN -0.100 nan 8.210 nan 0.000 0.513 198 D N 6.536 126.769 120.400 -0.279 0.000 2.264 198 D HA 0.033 4.672 4.640 -0.002 0.000 0.249 198 D C 0.987 177.130 176.300 -0.261 0.000 1.070 198 D CA -0.483 53.392 54.000 -0.208 0.000 0.912 198 D CB 1.469 42.180 40.800 -0.149 0.000 1.193 198 D HN 0.310 nan 8.370 nan 0.000 0.427 199 L N 2.174 123.286 121.223 -0.184 0.000 2.013 199 L HA -0.111 4.228 4.340 -0.002 0.000 0.212 199 L C -0.661 176.121 176.870 -0.146 0.000 1.073 199 L CA 1.974 56.714 54.840 -0.167 0.000 0.753 199 L CB -1.911 40.102 42.059 -0.076 0.000 0.890 199 L HN 0.486 nan 8.230 nan 0.000 0.432 200 P HA -0.091 nan 4.420 nan 0.000 0.217 200 P C 1.477 178.708 177.300 -0.115 0.000 1.151 200 P CA 1.673 64.721 63.100 -0.088 0.000 0.828 200 P CB -0.046 31.615 31.700 -0.065 0.000 0.788 201 A N -0.473 122.246 122.820 -0.169 0.000 1.930 201 A HA -0.126 4.193 4.320 -0.002 0.000 0.217 201 A C 2.199 179.615 177.584 -0.281 0.000 1.175 201 A CA 1.107 53.022 52.037 -0.205 0.000 0.627 201 A CB -1.655 17.196 19.000 -0.249 0.000 0.815 201 A HN 0.181 nan 8.150 nan 0.000 0.443 202 L N -0.518 120.471 121.223 -0.389 0.000 2.017 202 L HA -0.206 4.133 4.340 -0.002 0.000 0.208 202 L C 2.709 179.517 176.870 -0.102 0.000 1.073 202 L CA 1.715 56.305 54.840 -0.415 0.000 0.745 202 L CB -0.287 41.497 42.059 -0.458 0.000 0.894 202 L HN 0.333 nan 8.230 nan 0.000 0.432 203 R N -0.396 120.054 120.500 -0.083 0.000 2.075 203 R HA -0.220 4.119 4.340 -0.002 0.000 0.232 203 R C 2.214 178.499 176.300 -0.025 0.000 1.126 203 R CA 1.698 57.786 56.100 -0.021 0.000 0.963 203 R CB -0.433 29.860 30.300 -0.012 0.000 0.858 203 R HN 0.527 nan 8.270 nan 0.000 0.435 204 E N 1.060 121.236 120.200 -0.039 0.000 2.085 204 E HA -0.206 4.143 4.350 -0.002 0.000 0.194 204 E C 1.939 178.529 176.600 -0.016 0.000 0.994 204 E CA 1.439 57.816 56.400 -0.038 0.000 0.801 204 E CB -0.076 29.603 29.700 -0.035 0.000 0.743 204 E HN 0.341 nan 8.360 nan 0.000 0.453 205 A N 0.390 123.232 122.820 0.036 0.000 1.902 205 A HA -0.142 4.177 4.320 -0.002 0.000 0.217 205 A C 2.434 180.079 177.584 0.103 0.000 1.181 205 A CA 1.635 53.751 52.037 0.131 0.000 0.623 205 A CB -0.674 18.543 19.000 0.362 0.000 0.818 205 A HN 0.241 nan 8.150 nan 0.000 0.443 206 V N 0.077 120.052 119.914 0.102 0.000 2.358 206 V HA -0.233 3.886 4.120 -0.002 0.000 0.246 206 V C 2.394 178.447 176.094 -0.068 0.000 1.047 206 V CA 1.834 64.163 62.300 0.049 0.000 1.035 206 V CB -0.700 31.171 31.823 0.080 0.000 0.658 206 V HN 0.556 nan 8.190 nan 0.000 0.452 207 I N -0.189 120.293 120.570 -0.146 0.000 2.179 207 I HA -0.177 3.993 4.170 -0.002 0.000 0.242 207 I C 2.644 178.593 176.117 -0.280 0.000 1.088 207 I CA 1.421 62.503 61.300 -0.363 0.000 1.357 207 I CB -0.326 37.389 38.000 -0.475 0.000 1.051 207 I HN 0.295 nan 8.210 nan 0.000 0.409 208 E N 0.417 120.525 120.200 -0.154 0.000 2.158 208 E HA -0.112 4.237 4.350 -0.002 0.000 0.191 208 E C 1.982 178.542 176.600 -0.066 0.000 0.982 208 E CA 0.904 57.244 56.400 -0.100 0.000 0.823 208 E CB -0.031 29.636 29.700 -0.056 0.000 0.766 208 E HN 0.554 nan 8.360 nan 0.000 0.468 209 E N 0.028 120.199 120.200 -0.048 0.000 2.201 209 E HA 0.027 4.376 4.350 -0.002 0.000 0.193 209 E C 2.139 178.711 176.600 -0.047 0.000 0.957 209 E CA 0.403 56.781 56.400 -0.037 0.000 0.858 209 E CB 0.516 30.204 29.700 -0.020 0.000 0.816 209 E HN 0.046 nan 8.360 nan 0.000 0.475 210 V N 1.217 121.101 119.914 -0.049 0.000 2.627 210 V HA -0.015 4.104 4.120 -0.002 0.000 0.239 210 V C 2.241 178.313 176.094 -0.038 0.000 1.077 210 V CA 0.624 62.898 62.300 -0.043 0.000 1.103 210 V CB -0.110 31.696 31.823 -0.028 0.000 0.802 210 V HN 0.088 nan 8.190 nan 0.000 0.482 211 I N -0.158 120.377 120.570 -0.059 0.000 2.188 211 I HA -0.123 4.046 4.170 -0.002 0.000 0.237 211 I C 2.539 178.641 176.117 -0.025 0.000 1.073 211 I CA 1.382 62.658 61.300 -0.039 0.000 1.359 211 I CB -0.491 37.454 38.000 -0.092 0.000 1.083 211 I HN 0.163 nan 8.210 nan 0.000 0.412 212 K N 0.704 121.054 120.400 -0.084 0.000 2.063 212 K HA -0.154 4.165 4.320 -0.002 0.000 0.208 212 K C -0.407 176.192 176.600 -0.001 0.000 1.048 212 K CA 1.635 57.907 56.287 -0.026 0.000 0.928 212 K CB -1.279 31.186 32.500 -0.059 0.000 0.713 212 K HN 0.263 nan 8.250 nan 0.000 0.442 213 P HA -0.061 nan 4.420 nan 0.000 0.225 213 P C 0.726 178.026 177.300 -0.000 0.000 1.148 213 P CA 1.177 64.271 63.100 -0.010 0.000 0.779 213 P CB 0.163 31.849 31.700 -0.022 0.000 0.780 214 T N -1.177 113.380 114.554 0.005 0.000 3.044 214 T HA 0.137 4.486 4.350 -0.002 0.000 0.255 214 T C 0.764 175.488 174.700 0.039 0.000 1.073 214 T CA 0.153 62.260 62.100 0.013 0.000 1.125 214 T CB -0.232 68.638 68.868 0.003 0.000 0.908 214 T HN -0.005 nan 8.240 nan 0.000 0.480 215 L N 2.729 123.982 121.223 0.051 0.000 2.397 215 L HA 0.297 4.636 4.340 -0.002 0.000 0.271 215 L C -2.224 174.676 176.870 0.050 0.000 1.148 215 L CA -2.171 52.708 54.840 0.065 0.000 0.825 215 L CB 0.005 42.117 42.059 0.089 0.000 1.117 215 L HN -0.053 nan 8.230 nan 0.000 0.456 216 P HA 0.030 nan 4.420 nan 0.000 0.267 216 P C 0.211 177.519 177.300 0.013 0.000 1.205 216 P CA -0.070 63.046 63.100 0.027 0.000 0.765 216 P CB 1.013 32.724 31.700 0.018 0.000 0.828 217 A N 4.231 127.056 122.820 0.009 0.000 1.873 217 A HA -0.252 4.067 4.320 -0.002 0.000 0.218 217 A C 1.640 179.216 177.584 -0.014 0.000 1.193 217 A CA 2.285 54.324 52.037 0.003 0.000 0.629 217 A CB -1.373 17.628 19.000 0.002 0.000 0.826 217 A HN 0.642 nan 8.150 nan 0.000 0.447 218 D N -0.168 120.216 120.400 -0.027 0.000 2.378 218 D HA -0.044 4.595 4.640 -0.002 0.000 0.222 218 D C 1.221 177.468 176.300 -0.089 0.000 0.980 218 D CA 0.646 54.614 54.000 -0.052 0.000 0.907 218 D CB -0.476 40.293 40.800 -0.052 0.000 0.899 218 D HN 0.491 nan 8.370 nan 0.000 0.527 219 L N -0.166 121.011 121.223 -0.076 0.000 2.607 219 L HA 0.277 4.616 4.340 -0.002 0.000 0.228 219 L C 0.550 177.371 176.870 -0.081 0.000 1.123 219 L CA -0.180 54.595 54.840 -0.108 0.000 0.890 219 L CB 0.105 42.110 42.059 -0.089 0.000 1.103 219 L HN -0.043 nan 8.230 nan 0.000 0.468 220 I N 1.407 121.950 120.570 -0.045 0.000 2.269 220 I HA 0.130 4.299 4.170 -0.002 0.000 0.293 220 I C 0.130 176.224 176.117 -0.037 0.000 1.106 220 I CA -0.187 61.102 61.300 -0.020 0.000 1.248 220 I CB 0.142 38.163 38.000 0.034 0.000 1.444 220 I HN 0.032 nan 8.210 nan 0.000 0.497 221 K N 3.805 124.170 120.400 -0.059 0.000 2.240 221 K HA 0.388 4.707 4.320 -0.002 0.000 0.237 221 K C 1.286 177.864 176.600 -0.036 0.000 1.027 221 K CA -0.563 55.695 56.287 -0.049 0.000 0.937 221 K CB 0.738 33.206 32.500 -0.053 0.000 1.171 221 K HN 0.538 nan 8.250 nan 0.000 0.479 222 G N 0.759 109.545 108.800 -0.023 0.000 2.498 222 G HA2 -0.207 3.752 3.960 -0.002 0.000 0.219 222 G HA3 -0.207 3.752 3.960 -0.002 0.000 0.219 222 G C 0.627 175.505 174.900 -0.037 0.000 1.119 222 G CA 0.797 45.886 45.100 -0.019 0.000 0.766 222 G HN 0.673 nan 8.290 nan 0.000 0.552 223 D N -0.388 119.985 120.400 -0.045 0.000 2.325 223 D HA 0.081 4.720 4.640 -0.002 0.000 0.225 223 D C 0.849 177.083 176.300 -0.109 0.000 1.096 223 D CA -0.768 53.198 54.000 -0.056 0.000 0.844 223 D CB -0.266 40.517 40.800 -0.028 0.000 0.925 223 D HN 0.308 nan 8.370 nan 0.000 0.513 224 I N 0.685 121.154 120.570 -0.168 0.000 2.618 224 I HA 0.048 4.217 4.170 -0.002 0.000 0.284 224 I C -0.257 175.578 176.117 -0.471 0.000 1.146 224 I CA -0.103 61.007 61.300 -0.317 0.000 1.425 224 I CB 0.323 38.095 38.000 -0.379 0.000 1.383 224 I HN -0.222 nan 8.210 nan 0.000 0.562 225 K N 7.596 127.727 120.400 -0.448 0.000 2.358 225 K HA 0.405 4.724 4.320 -0.002 0.000 0.260 225 K C -1.531 174.841 176.600 -0.381 0.000 0.956 225 K CA -0.416 55.663 56.287 -0.347 0.000 0.834 225 K CB 1.418 33.831 32.500 -0.144 0.000 1.102 225 K HN 0.296 nan 8.250 nan 0.000 0.431 226 F N 3.462 123.426 119.950 0.022 0.000 2.388 226 F HA 0.344 4.870 4.527 -0.002 0.000 0.358 226 F C 0.036 175.854 175.800 0.030 0.000 1.122 226 F CA -0.856 57.160 58.000 0.027 0.000 1.056 226 F CB 0.754 39.770 39.000 0.027 0.000 1.155 226 F HN 0.182 nan 8.300 nan 0.000 0.461 227 L N 5.201 126.546 121.223 0.204 0.000 2.335 227 L HA 0.492 4.831 4.340 -0.002 0.000 0.268 227 L C -0.874 176.077 176.870 0.135 0.000 1.037 227 L CA -0.610 54.311 54.840 0.134 0.000 0.895 227 L CB 0.870 42.983 42.059 0.089 0.000 1.266 227 L HN 0.302 nan 8.230 nan 0.000 0.439 228 V N 2.164 122.155 119.914 0.128 0.000 2.398 228 V HA 0.241 4.360 4.120 -0.002 0.000 0.286 228 V C 0.168 176.329 176.094 0.111 0.000 1.026 228 V CA -0.845 61.525 62.300 0.118 0.000 0.868 228 V CB 1.414 33.293 31.823 0.093 0.000 0.982 228 V HN 0.787 nan 8.190 nan 0.000 0.443 229 N N 4.811 123.597 118.700 0.144 0.000 2.691 229 N HA -0.173 4.566 4.740 -0.002 0.000 0.277 229 N C -2.100 173.473 175.510 0.106 0.000 1.029 229 N CA 0.495 53.641 53.050 0.160 0.000 0.798 229 N CB -0.686 37.916 38.487 0.191 0.000 0.922 229 N HN 0.493 nan 8.380 nan 0.000 0.562 230 P HA -0.122 nan 4.420 nan 0.000 0.218 230 P C 0.928 178.256 177.300 0.046 0.000 1.148 230 P CA 1.380 64.516 63.100 0.061 0.000 0.822 230 P CB 0.122 31.854 31.700 0.052 0.000 0.784 231 T N -4.115 110.464 114.554 0.043 0.000 3.273 231 T HA 0.541 4.890 4.350 -0.002 0.000 0.254 231 T C 1.033 175.761 174.700 0.047 0.000 1.002 231 T CA -0.044 62.072 62.100 0.028 0.000 0.913 231 T CB -0.633 68.234 68.868 -0.001 0.000 1.056 231 T HN 0.295 nan 8.240 nan 0.000 0.576 232 G N 1.667 110.511 108.800 0.074 0.000 2.509 232 G HA2 0.023 3.982 3.960 -0.002 0.000 0.259 232 G HA3 0.023 3.982 3.960 -0.002 0.000 0.259 232 G C 0.292 175.303 174.900 0.185 0.000 1.169 232 G CA 0.088 45.245 45.100 0.095 0.000 0.953 232 G HN 1.021 nan 8.290 nan 0.000 0.563 233 R N -0.737 119.883 120.500 0.200 0.000 2.698 233 R HA 0.490 4.830 4.340 -0.002 0.000 0.266 233 R C 0.016 176.520 176.300 0.340 0.000 1.026 233 R CA 1.137 57.444 56.100 0.345 0.000 1.102 233 R CB -0.139 30.290 30.300 0.214 0.000 0.978 233 R HN 1.998 nan 8.270 nan 0.000 0.436 234 F N 3.068 123.060 119.950 0.071 0.000 3.159 234 F HA 0.350 4.877 4.527 -0.001 0.000 0.394 234 F C -0.074 175.490 175.800 -0.393 0.000 1.214 234 F CA -1.222 56.728 58.000 -0.082 0.000 1.241 234 F CB 0.776 39.825 39.000 0.080 0.000 2.238 234 F HN 0.191 nan 8.300 nan 0.000 0.658 235 V N 3.280 123.195 119.914 0.000 0.000 2.788 235 V HA 0.189 4.308 4.120 -0.002 0.000 0.241 235 V C 1.188 177.300 176.094 0.031 0.000 1.083 235 V CA 0.766 62.995 62.300 -0.119 0.000 1.103 235 V CB 0.271 32.052 31.823 -0.070 0.000 0.800 235 V HN 0.371 nan 8.190 nan 0.000 0.476 236 I N 1.526 122.166 120.570 0.117 0.000 2.322 236 I HA 0.507 4.676 4.170 -0.002 0.000 0.292 236 I C 0.604 176.866 176.117 0.242 0.000 1.060 236 I CA 0.264 61.636 61.300 0.119 0.000 1.309 236 I CB 0.494 38.535 38.000 0.067 0.000 1.415 236 I HN 0.259 nan 8.210 nan 0.000 0.492 237 G N 3.307 112.236 108.800 0.214 0.000 2.818 237 G HA2 0.714 4.673 3.960 -0.002 0.000 0.286 237 G HA3 0.714 4.673 3.960 -0.002 0.000 0.286 237 G C -0.149 174.835 174.900 0.141 0.000 1.364 237 G CA -0.235 45.053 45.100 0.313 0.000 0.938 237 G HN 0.896 nan 8.290 nan 0.000 0.490 238 G N -0.045 108.834 108.800 0.130 0.000 2.601 238 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.252 238 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.252 238 G C -1.141 173.661 174.900 -0.164 0.000 1.294 238 G CA 0.270 45.338 45.100 -0.054 0.000 0.912 238 G HN 0.672 nan 8.290 nan 0.000 0.574 239 P HA -0.061 nan 4.420 nan 0.000 0.217 239 P C 2.342 179.555 177.300 -0.146 0.000 1.151 239 P CA 3.805 66.790 63.100 -0.192 0.000 0.849 239 P CB -0.396 31.174 31.700 -0.217 0.000 0.787 240 Q N -0.439 119.265 119.800 -0.160 0.000 2.135 240 Q HA -0.091 4.248 4.340 -0.002 0.000 0.204 240 Q C 2.333 178.301 176.000 -0.054 0.000 0.981 240 Q CA 2.066 57.812 55.803 -0.094 0.000 0.856 240 Q CB -2.109 26.580 28.738 -0.082 0.000 0.902 240 Q HN 0.418 nan 8.270 nan 0.000 0.425 241 G N 0.077 108.854 108.800 -0.038 0.000 2.986 241 G HA2 0.350 4.309 3.960 -0.002 0.000 0.213 241 G HA3 0.350 4.309 3.960 -0.002 0.000 0.213 241 G C 0.006 174.879 174.900 -0.044 0.000 1.156 241 G CA 0.688 45.776 45.100 -0.020 0.000 0.763 241 G HN 0.699 nan 8.290 nan 0.000 0.547 242 D N -1.688 118.674 120.400 -0.063 0.000 2.720 242 D HA 0.051 4.691 4.640 -0.002 0.000 0.239 242 D C -1.070 175.180 176.300 -0.084 0.000 1.218 242 D CA -0.704 53.254 54.000 -0.070 0.000 0.748 242 D CB 0.479 41.236 40.800 -0.072 0.000 1.387 242 D HN -0.078 nan 8.370 nan 0.000 0.438 243 C N 0.874 120.136 119.300 -0.064 0.000 2.644 243 C HA 0.729 5.188 4.460 -0.002 0.000 0.417 243 C C 0.952 175.908 174.990 -0.056 0.000 1.304 243 C CA 0.635 59.619 59.018 -0.057 0.000 2.035 243 C CB -0.630 27.086 27.740 -0.040 0.000 2.673 243 C HN 0.629 nan 8.230 nan 0.000 0.602 244 G N 5.251 114.021 108.800 -0.050 0.000 2.448 244 G HA2 0.732 4.691 3.960 -0.002 0.000 0.324 244 G HA3 0.732 4.691 3.960 -0.002 0.000 0.324 244 G C -1.650 173.247 174.900 -0.006 0.000 1.203 244 G CA -0.407 44.679 45.100 -0.023 0.000 0.954 244 G HN 0.694 nan 8.290 nan 0.000 0.480 245 L N 0.037 121.269 121.223 0.015 0.000 2.393 245 L HA 0.496 4.835 4.340 -0.002 0.000 0.260 245 L C 0.558 177.440 176.870 0.020 0.000 1.002 245 L CA -0.606 54.239 54.840 0.009 0.000 0.818 245 L CB 2.435 44.493 42.059 -0.001 0.000 1.369 245 L HN 0.474 nan 8.230 nan 0.000 0.412 246 T N 0.987 115.550 114.554 0.015 0.000 2.930 246 T HA 0.399 4.748 4.350 -0.002 0.000 0.306 246 T C 0.881 175.582 174.700 0.002 0.000 1.045 246 T CA 0.853 62.966 62.100 0.021 0.000 1.134 246 T CB 0.534 69.417 68.868 0.025 0.000 0.961 246 T HN 1.046 nan 8.240 nan 0.000 0.545 247 G N 2.530 111.326 108.800 -0.006 0.000 2.198 247 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.257 247 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.257 247 G C 0.685 175.546 174.900 -0.065 0.000 1.042 247 G CA -0.347 44.722 45.100 -0.051 0.000 0.791 247 G HN 0.613 nan 8.290 nan 0.000 0.502 248 R N -0.599 119.880 120.500 -0.036 0.000 2.543 248 R HA 0.181 4.520 4.340 -0.002 0.000 0.323 248 R C 0.549 176.825 176.300 -0.040 0.000 1.002 248 R CA -0.138 55.941 56.100 -0.035 0.000 1.106 248 R CB 0.485 30.786 30.300 0.001 0.000 1.280 248 R HN 0.225 nan 8.270 nan 0.000 0.549 249 K N 1.399 121.766 120.400 -0.055 0.000 3.239 249 K HA 0.227 4.546 4.320 -0.002 0.000 0.204 249 K C 1.168 177.717 176.600 -0.086 0.000 1.126 249 K CA -0.020 56.232 56.287 -0.058 0.000 0.948 249 K CB 0.659 33.141 32.500 -0.030 0.000 0.818 249 K HN 0.164 nan 8.250 nan 0.000 0.480 250 I N -2.799 117.675 120.570 -0.160 0.000 2.928 250 I HA -0.054 4.115 4.170 -0.002 0.000 0.266 250 I C 1.100 177.131 176.117 -0.143 0.000 1.234 250 I CA 0.482 61.628 61.300 -0.257 0.000 1.483 250 I CB -0.034 37.706 38.000 -0.434 0.000 1.097 250 I HN -0.081 nan 8.210 nan 0.000 0.455 251 I N 1.210 121.731 120.570 -0.082 0.000 2.400 251 I HA -0.072 4.097 4.170 -0.002 0.000 0.248 251 I C 2.687 178.847 176.117 0.072 0.000 1.109 251 I CA 0.950 62.269 61.300 0.031 0.000 1.425 251 I CB -0.935 37.068 38.000 0.005 0.000 1.094 251 I HN 0.123 nan 8.210 nan 0.000 0.425 252 V N 1.270 121.208 119.914 0.040 0.000 2.392 252 V HA -0.260 3.859 4.120 -0.002 0.000 0.249 252 V C 1.986 178.211 176.094 0.219 0.000 1.059 252 V CA 1.794 64.151 62.300 0.095 0.000 1.051 252 V CB -0.631 31.228 31.823 0.059 0.000 0.658 252 V HN 0.321 nan 8.190 nan 0.000 0.455 253 D N -0.381 120.092 120.400 0.123 0.000 2.312 253 D HA -0.050 4.589 4.640 -0.002 0.000 0.211 253 D C 1.774 178.097 176.300 0.039 0.000 0.964 253 D CA 1.494 55.576 54.000 0.136 0.000 0.877 253 D CB 0.141 40.910 40.800 -0.052 0.000 0.924 253 D HN 0.708 nan 8.370 nan 0.000 0.515 254 T N -2.552 112.034 114.554 0.053 0.000 2.233 254 T HA 0.098 4.447 4.350 -0.002 0.000 0.172 254 T C 0.852 175.466 174.700 -0.143 0.000 0.740 254 T CA -0.295 61.762 62.100 -0.072 0.000 1.172 254 T CB -0.148 68.789 68.868 0.115 0.000 2.941 254 T HN -0.098 nan 8.240 nan 0.000 0.398 255 Y N 1.151 121.689 120.300 0.398 0.000 2.660 255 Y HA 0.574 5.123 4.550 -0.002 0.000 0.254 255 Y C 1.717 177.776 175.900 0.265 0.000 1.176 255 Y CA -0.637 57.673 58.100 0.350 0.000 1.195 255 Y CB 0.189 38.828 38.460 0.297 0.000 1.190 255 Y HN 0.894 nan 8.280 nan 0.000 0.535 256 G N 0.448 109.426 108.800 0.296 0.000 2.203 256 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.263 256 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.263 256 G C 1.243 176.289 174.900 0.244 0.000 1.012 256 G CA 0.542 45.773 45.100 0.218 0.000 0.749 256 G HN 1.233 nan 8.290 nan 0.000 0.512 257 G N -2.000 106.951 108.800 0.252 0.000 2.175 257 G HA2 0.121 4.080 3.960 -0.002 0.000 0.244 257 G HA3 0.121 4.080 3.960 -0.002 0.000 0.244 257 G C 1.333 176.441 174.900 0.347 0.000 0.982 257 G CA 1.182 46.430 45.100 0.246 0.000 0.641 257 G HN 2.046 nan 8.290 nan 0.000 0.527 258 A N -0.654 122.310 122.820 0.242 0.000 2.119 258 A HA 0.766 5.085 4.320 -0.002 0.000 0.216 258 A C 1.431 178.737 177.584 -0.463 0.000 1.152 258 A CA 1.960 53.923 52.037 -0.125 0.000 0.708 258 A CB -0.067 18.885 19.000 -0.079 0.000 0.805 258 A HN 2.135 nan 8.150 nan 0.000 0.460 259 A N -0.332 122.299 122.820 -0.315 0.000 2.479 259 A HA 0.721 5.040 4.320 -0.002 0.000 0.296 259 A C -2.929 174.499 177.584 -0.260 0.000 1.121 259 A CA -1.706 50.051 52.037 -0.466 0.000 0.743 259 A CB 0.617 19.259 19.000 -0.597 0.000 1.323 259 A HN 0.084 nan 8.150 nan 0.000 0.415 260 P HA 0.308 nan 4.420 nan 0.000 0.274 260 P C -1.120 175.961 177.300 -0.365 0.000 1.237 260 P CA 0.174 62.942 63.100 -0.553 0.000 0.793 260 P CB 0.436 31.485 31.700 -1.085 0.000 0.977 261 H N -0.429 118.584 119.070 -0.096 0.000 2.600 261 H HA 0.374 4.929 4.556 -0.002 0.000 0.357 261 H C 0.956 176.478 175.328 0.323 0.000 1.106 261 H CA -0.343 55.831 56.048 0.211 0.000 1.193 261 H CB 2.002 31.835 29.762 0.119 0.000 1.594 261 H HN 0.536 nan 8.280 nan 0.000 0.526 262 G N 1.203 110.381 108.800 0.629 0.000 2.777 262 G HA2 0.241 4.201 3.960 -0.002 0.000 0.211 262 G HA3 0.241 4.201 3.960 -0.002 0.000 0.211 262 G C 0.975 176.075 174.900 0.333 0.000 1.149 262 G CA 0.672 46.028 45.100 0.427 0.000 0.785 262 G HN 0.906 nan 8.290 nan 0.000 0.536 263 G N -1.157 107.914 108.800 0.452 0.000 3.033 263 G HA2 0.029 3.989 3.960 -0.002 0.000 0.196 263 G HA3 0.029 3.989 3.960 -0.002 0.000 0.196 263 G C 0.751 175.685 174.900 0.056 0.000 1.078 263 G CA 0.113 45.298 45.100 0.143 0.000 0.805 263 G HN 0.964 nan 8.290 nan 0.000 0.472 264 G N 1.116 110.003 108.800 0.146 0.000 2.390 264 G HA2 0.707 4.666 3.960 -0.002 0.000 0.270 264 G HA3 0.707 4.666 3.960 -0.002 0.000 0.270 264 G C 0.480 175.327 174.900 -0.089 0.000 1.211 264 G CA 1.033 46.158 45.100 0.041 0.000 0.842 264 G HN 1.411 nan 8.290 nan 0.000 0.519 265 A N 1.286 124.026 122.820 -0.133 0.000 2.346 265 A HA 0.655 4.974 4.320 -0.002 0.000 0.252 265 A C 0.394 177.913 177.584 -0.108 0.000 1.089 265 A CA -0.245 51.657 52.037 -0.225 0.000 0.797 265 A CB 0.419 19.346 19.000 -0.121 0.000 1.047 265 A HN 0.558 nan 8.150 nan 0.000 0.494 266 F N 0.169 120.038 119.950 -0.135 0.000 2.419 266 F HA 0.145 4.671 4.527 -0.002 0.000 0.283 266 F C 1.593 177.333 175.800 -0.099 0.000 1.044 266 F CA 0.011 57.897 58.000 -0.191 0.000 1.376 266 F CB -1.045 37.731 39.000 -0.373 0.000 1.131 266 F HN 0.344 nan 8.300 nan 0.000 0.585 267 S N -0.149 115.660 115.700 0.181 0.000 2.562 267 S HA 0.397 4.866 4.470 -0.002 0.000 0.281 267 S C 1.239 175.874 174.600 0.059 0.000 1.333 267 S CA 0.513 58.799 58.200 0.143 0.000 1.052 267 S CB 0.432 63.729 63.200 0.162 0.000 0.884 267 S HN 0.721 nan 8.310 nan 0.000 0.506 268 G N 2.174 110.995 108.800 0.035 0.000 2.176 268 G HA2 -0.223 3.736 3.960 -0.002 0.000 0.253 268 G HA3 -0.223 3.736 3.960 -0.002 0.000 0.253 268 G C -0.239 174.634 174.900 -0.046 0.000 0.979 268 G CA -0.042 45.064 45.100 0.010 0.000 0.641 268 G HN 0.588 nan 8.290 nan 0.000 0.530 269 K N 1.651 121.994 120.400 -0.095 0.000 2.244 269 K HA 0.421 4.740 4.320 -0.002 0.000 0.260 269 K C -0.180 176.265 176.600 -0.258 0.000 0.951 269 K CA -0.545 55.657 56.287 -0.141 0.000 0.826 269 K CB 1.625 34.054 32.500 -0.119 0.000 1.108 269 K HN 0.457 nan 8.250 nan 0.000 0.433 270 D N 2.820 123.091 120.400 -0.215 0.000 2.358 270 D HA 0.075 4.714 4.640 -0.002 0.000 0.244 270 D C -1.891 174.251 176.300 -0.263 0.000 1.163 270 D CA -1.612 52.237 54.000 -0.251 0.000 0.945 270 D CB 1.217 41.938 40.800 -0.131 0.000 1.152 270 D HN 0.103 nan 8.370 nan 0.000 0.451 271 P HA -0.165 nan 4.420 nan 0.000 0.220 271 P C 1.534 178.742 177.300 -0.154 0.000 1.144 271 P CA 1.405 64.382 63.100 -0.203 0.000 0.800 271 P CB -0.084 31.579 31.700 -0.062 0.000 0.772 272 S N -1.901 113.731 115.700 -0.112 0.000 2.474 272 S HA -0.068 4.401 4.470 -0.002 0.000 0.235 272 S C 0.929 175.453 174.600 -0.127 0.000 0.997 272 S CA 0.659 58.803 58.200 -0.093 0.000 0.949 272 S CB -0.787 62.382 63.200 -0.052 0.000 0.766 272 S HN -0.011 nan 8.310 nan 0.000 0.517 273 K N 2.660 122.971 120.400 -0.148 0.000 2.338 273 K HA 0.262 4.581 4.320 -0.002 0.000 0.290 273 K C 1.145 177.632 176.600 -0.189 0.000 1.069 273 K CA 0.098 56.296 56.287 -0.148 0.000 0.941 273 K CB 1.104 33.526 32.500 -0.130 0.000 1.023 273 K HN 0.191 nan 8.250 nan 0.000 0.477 274 V N -0.213 119.573 119.914 -0.213 0.000 2.568 274 V HA -0.246 3.873 4.120 -0.002 0.000 0.253 274 V C 1.205 177.202 176.094 -0.162 0.000 1.072 274 V CA 1.543 63.673 62.300 -0.284 0.000 1.084 274 V CB -0.265 31.254 31.823 -0.507 0.000 0.676 274 V HN 0.561 nan 8.190 nan 0.000 0.469 275 D N 0.462 120.811 120.400 -0.084 0.000 2.158 275 D HA -0.191 4.448 4.640 -0.002 0.000 0.197 275 D C 2.271 178.598 176.300 0.045 0.000 0.995 275 D CA 2.065 56.079 54.000 0.024 0.000 0.846 275 D CB -0.103 40.722 40.800 0.041 0.000 0.941 275 D HN 0.595 nan 8.370 nan 0.000 0.456 276 R N -0.076 120.325 120.500 -0.165 0.000 2.087 276 R HA -0.017 4.322 4.340 -0.002 0.000 0.213 276 R C 2.363 178.194 176.300 -0.781 0.000 1.137 276 R CA 1.078 56.858 56.100 -0.533 0.000 1.022 276 R CB 0.074 30.011 30.300 -0.605 0.000 0.920 276 R HN 0.143 nan 8.270 nan 0.000 0.451 277 S N 0.100 115.505 115.700 -0.491 0.000 2.406 277 S HA -0.001 4.468 4.470 -0.002 0.000 0.228 277 S C 2.041 176.545 174.600 -0.160 0.000 1.020 277 S CA 0.793 58.781 58.200 -0.354 0.000 0.965 277 S CB 0.051 63.124 63.200 -0.212 0.000 0.798 277 S HN 0.393 nan 8.310 nan 0.000 0.488 278 A N 1.866 124.617 122.820 -0.114 0.000 1.930 278 A HA 0.515 4.834 4.320 -0.002 0.000 0.215 278 A C 2.481 180.116 177.584 0.085 0.000 1.176 278 A CA 1.216 53.279 52.037 0.043 0.000 0.632 278 A CB -1.310 17.766 19.000 0.127 0.000 0.819 278 A HN 0.766 nan 8.150 nan 0.000 0.445 279 A N -0.882 121.982 122.820 0.072 0.000 1.908 279 A HA -0.116 4.203 4.320 -0.002 0.000 0.218 279 A C 2.091 179.824 177.584 0.247 0.000 1.181 279 A CA 1.675 53.843 52.037 0.217 0.000 0.627 279 A CB -0.797 18.436 19.000 0.388 0.000 0.818 279 A HN 0.526 nan 8.150 nan 0.000 0.445 280 Y N -0.289 119.933 120.300 -0.130 0.000 2.200 280 Y HA -0.034 4.515 4.550 -0.001 0.000 0.290 280 Y C 2.986 178.879 175.900 -0.012 0.000 1.137 280 Y CA 0.226 58.194 58.100 -0.221 0.000 1.163 280 Y CB -1.233 36.898 38.460 -0.549 0.000 0.988 280 Y HN 0.343 nan 8.280 nan 0.000 0.518 281 A N 0.074 123.013 122.820 0.198 0.000 1.902 281 A HA -0.093 4.226 4.320 -0.002 0.000 0.217 281 A C 2.686 180.367 177.584 0.161 0.000 1.181 281 A CA 1.764 53.938 52.037 0.228 0.000 0.623 281 A CB -1.429 17.684 19.000 0.187 0.000 0.818 281 A HN 0.441 nan 8.150 nan 0.000 0.443 282 G N -0.066 108.788 108.800 0.090 0.000 2.491 282 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.218 282 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.218 282 G C 1.702 176.594 174.900 -0.012 0.000 1.180 282 G CA 1.542 46.657 45.100 0.026 0.000 0.774 282 G HN 0.564 nan 8.290 nan 0.000 0.562 283 R N -0.138 120.317 120.500 -0.076 0.000 2.094 283 R HA -0.195 4.144 4.340 -0.002 0.000 0.239 283 R C 2.208 178.539 176.300 0.051 0.000 1.137 283 R CA 1.858 57.865 56.100 -0.155 0.000 0.943 283 R CB -1.462 28.430 30.300 -0.680 0.000 0.850 283 R HN 0.387 nan 8.270 nan 0.000 0.433 284 Y N 0.376 120.697 120.300 0.034 0.000 2.040 284 Y HA -0.274 4.275 4.550 -0.002 0.000 0.275 284 Y C 2.126 178.008 175.900 -0.031 0.000 1.171 284 Y CA 2.220 60.382 58.100 0.103 0.000 1.123 284 Y CB -0.762 37.821 38.460 0.205 0.000 0.963 284 Y HN -0.024 nan 8.280 nan 0.000 0.493 285 V N 0.239 119.992 119.914 -0.267 0.000 2.261 285 V HA -0.334 3.785 4.120 -0.002 0.000 0.246 285 V C 2.722 178.617 176.094 -0.333 0.000 1.047 285 V CA 2.065 63.962 62.300 -0.671 0.000 1.015 285 V CB -1.747 29.645 31.823 -0.719 0.000 0.642 285 V HN 0.556 nan 8.190 nan 0.000 0.446 286 A N -0.397 122.306 122.820 -0.195 0.000 1.917 286 A HA -0.318 4.001 4.320 -0.002 0.000 0.219 286 A C 2.358 179.864 177.584 -0.130 0.000 1.182 286 A CA 2.469 54.420 52.037 -0.143 0.000 0.633 286 A CB -0.537 18.394 19.000 -0.116 0.000 0.819 286 A HN 0.546 nan 8.150 nan 0.000 0.448 287 K N -0.523 119.822 120.400 -0.091 0.000 2.062 287 K HA -0.103 4.217 4.320 -0.002 0.000 0.205 287 K C 1.744 178.306 176.600 -0.063 0.000 1.051 287 K CA 1.241 57.497 56.287 -0.052 0.000 0.941 287 K CB -0.215 32.301 32.500 0.027 0.000 0.719 287 K HN 0.504 nan 8.250 nan 0.000 0.440 288 N N 0.859 119.502 118.700 -0.095 0.000 2.309 288 N HA -0.126 4.613 4.740 -0.002 0.000 0.182 288 N C 1.854 177.336 175.510 -0.047 0.000 1.018 288 N CA 1.033 54.043 53.050 -0.067 0.000 0.876 288 N CB -0.027 38.432 38.487 -0.046 0.000 0.972 288 N HN 0.252 nan 8.380 nan 0.000 0.434 289 I N 0.555 121.084 120.570 -0.068 0.000 2.202 289 I HA -0.212 3.957 4.170 -0.002 0.000 0.242 289 I C 2.122 178.207 176.117 -0.054 0.000 1.091 289 I CA 0.872 62.138 61.300 -0.056 0.000 1.368 289 I CB -0.098 37.859 38.000 -0.071 0.000 1.058 289 I HN -0.102 nan 8.210 nan 0.000 0.410 290 V N 0.761 120.635 119.914 -0.066 0.000 2.379 290 V HA -0.180 3.939 4.120 -0.002 0.000 0.245 290 V C 2.656 178.724 176.094 -0.043 0.000 1.044 290 V CA 1.682 63.946 62.300 -0.060 0.000 1.036 290 V CB -0.953 30.819 31.823 -0.085 0.000 0.664 290 V HN 0.456 nan 8.190 nan 0.000 0.453 291 A N 0.324 123.120 122.820 -0.040 0.000 1.940 291 A HA -0.114 4.205 4.320 -0.002 0.000 0.219 291 A C 2.348 179.915 177.584 -0.029 0.000 1.176 291 A CA 1.971 53.991 52.037 -0.028 0.000 0.631 291 A CB -0.678 18.310 19.000 -0.021 0.000 0.814 291 A HN 0.577 nan 8.150 nan 0.000 0.446 292 A N -1.799 121.000 122.820 -0.035 0.000 2.121 292 A HA 0.342 4.661 4.320 -0.002 0.000 0.218 292 A C 1.954 179.520 177.584 -0.030 0.000 1.154 292 A CA 1.468 53.483 52.037 -0.037 0.000 0.679 292 A CB -0.968 18.003 19.000 -0.048 0.000 0.795 292 A HN 1.971 nan 8.150 nan 0.000 0.458 293 G N -1.476 107.307 108.800 -0.028 0.000 2.137 293 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.237 293 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.237 293 G C 0.682 175.570 174.900 -0.019 0.000 1.002 293 G CA 0.422 45.509 45.100 -0.021 0.000 0.702 293 G HN 0.410 nan 8.290 nan 0.000 0.515 294 L N -0.769 120.440 121.223 -0.024 0.000 2.179 294 L HA 0.450 4.789 4.340 -0.002 0.000 0.208 294 L C 1.560 178.421 176.870 -0.014 0.000 1.096 294 L CA 1.487 56.315 54.840 -0.020 0.000 0.779 294 L CB -0.257 41.788 42.059 -0.024 0.000 0.922 294 L HN 0.717 nan 8.230 nan 0.000 0.443 295 A N -1.377 121.433 122.820 -0.017 0.000 2.606 295 A HA 0.434 4.753 4.320 -0.002 0.000 0.293 295 A C 0.562 178.139 177.584 -0.012 0.000 1.082 295 A CA 0.118 52.151 52.037 -0.007 0.000 0.685 295 A CB 1.098 20.097 19.000 -0.003 0.000 1.284 295 A HN 0.028 nan 8.150 nan 0.000 0.408 296 S N -0.018 115.683 115.700 0.002 0.000 2.470 296 S HA 0.154 4.623 4.470 -0.002 0.000 0.225 296 S C 0.721 175.306 174.600 -0.024 0.000 1.006 296 S CA 0.766 58.963 58.200 -0.006 0.000 0.934 296 S CB -0.242 62.964 63.200 0.011 0.000 0.778 296 S HN 1.069 nan 8.310 nan 0.000 0.517 297 R N -0.417 120.085 120.500 0.003 0.000 2.710 297 R HA 0.806 5.145 4.340 -0.002 0.000 0.270 297 R C -1.856 174.471 176.300 0.045 0.000 1.021 297 R CA -0.845 55.234 56.100 -0.035 0.000 0.889 297 R CB 1.293 31.582 30.300 -0.018 0.000 1.243 297 R HN 0.160 nan 8.270 nan 0.000 0.464 298 A N 1.923 124.717 122.820 -0.043 0.000 2.437 298 A HA 0.575 4.894 4.320 -0.002 0.000 0.293 298 A C -1.847 175.801 177.584 0.107 0.000 1.038 298 A CA -0.744 51.306 52.037 0.022 0.000 0.708 298 A CB 1.874 20.839 19.000 -0.059 0.000 1.251 298 A HN 0.602 nan 8.150 nan 0.000 0.409 299 L N 3.191 124.556 121.223 0.237 0.000 2.322 299 L HA 0.836 5.175 4.340 -0.002 0.000 0.281 299 L C -0.896 176.042 176.870 0.114 0.000 1.014 299 L CA -0.551 54.467 54.840 0.296 0.000 0.815 299 L CB 1.279 43.575 42.059 0.396 0.000 1.247 299 L HN 0.702 nan 8.230 nan 0.000 0.421 300 I N 4.024 124.663 120.570 0.116 0.000 2.465 300 I HA 0.720 4.889 4.170 -0.002 0.000 0.291 300 I C -0.686 175.463 176.117 0.053 0.000 1.014 300 I CA -0.102 61.220 61.300 0.036 0.000 1.093 300 I CB 1.580 39.557 38.000 -0.039 0.000 1.267 300 I HN 0.784 nan 8.210 nan 0.000 0.431 301 Q N 6.712 126.485 119.800 -0.045 0.000 2.331 301 Q HA 0.689 5.028 4.340 -0.002 0.000 0.267 301 Q C -1.443 174.402 176.000 -0.259 0.000 1.006 301 Q CA -0.505 55.131 55.803 -0.278 0.000 0.818 301 Q CB 1.956 30.530 28.738 -0.273 0.000 1.276 301 Q HN 0.872 nan 8.270 nan 0.000 0.450 302 V N -0.566 119.167 119.914 -0.302 0.000 2.789 302 V HA 0.984 5.103 4.120 -0.002 0.000 0.311 302 V C -0.314 175.613 176.094 -0.278 0.000 1.073 302 V CA -0.207 61.935 62.300 -0.263 0.000 0.921 302 V CB 1.929 33.630 31.823 -0.204 0.000 1.009 302 V HN 1.290 nan 8.190 nan 0.000 0.426 303 S N 3.769 119.269 115.700 -0.333 0.000 2.513 303 S HA 0.855 5.325 4.470 -0.002 0.000 0.299 303 S C -1.263 173.100 174.600 -0.394 0.000 1.087 303 S CA -0.653 57.404 58.200 -0.237 0.000 1.012 303 S CB 1.386 64.494 63.200 -0.153 0.000 1.044 303 S HN 0.800 nan 8.310 nan 0.000 0.485 304 Y N 0.305 120.581 120.300 -0.040 0.000 2.485 304 Y HA 0.717 5.266 4.550 -0.002 0.000 0.345 304 Y C 0.307 176.196 175.900 -0.019 0.000 0.998 304 Y CA -0.942 57.143 58.100 -0.025 0.000 1.059 304 Y CB 2.068 40.516 38.460 -0.020 0.000 1.234 304 Y HN 1.018 nan 8.280 nan 0.000 0.461 305 A N 2.996 125.899 122.820 0.139 0.000 2.317 305 A HA 0.652 4.971 4.320 -0.002 0.000 0.327 305 A C -0.458 177.175 177.584 0.081 0.000 1.178 305 A CA -0.804 51.281 52.037 0.079 0.000 0.817 305 A CB 0.211 19.236 19.000 0.041 0.000 1.189 305 A HN 0.778 nan 8.150 nan 0.000 0.489 306 I N 1.659 122.260 120.570 0.052 0.000 2.906 306 I HA 0.123 4.292 4.170 -0.002 0.000 0.302 306 I C 1.593 177.729 176.117 0.032 0.000 1.220 306 I CA 1.775 63.094 61.300 0.033 0.000 1.441 306 I CB -0.023 37.989 38.000 0.019 0.000 1.336 306 I HN 1.107 nan 8.210 nan 0.000 0.565 307 G N 4.219 113.034 108.800 0.025 0.000 2.189 307 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.267 307 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.267 307 G C 0.109 175.030 174.900 0.034 0.000 0.975 307 G CA 0.135 45.248 45.100 0.022 0.000 0.644 307 G HN 0.494 nan 8.290 nan 0.000 0.537 308 V N 0.674 120.621 119.914 0.055 0.000 2.394 308 V HA 0.725 4.844 4.120 -0.002 0.000 0.282 308 V C 1.281 177.439 176.094 0.107 0.000 1.031 308 V CA 0.190 62.530 62.300 0.067 0.000 0.881 308 V CB 1.089 32.949 31.823 0.061 0.000 0.982 308 V HN 0.632 nan 8.190 nan 0.000 0.451 309 A N 3.711 126.584 122.820 0.089 0.000 1.838 309 A HA 0.066 4.385 4.320 -0.002 0.000 0.215 309 A C 1.095 178.777 177.584 0.165 0.000 1.273 309 A CA 0.492 52.595 52.037 0.110 0.000 0.602 309 A CB -0.444 18.599 19.000 0.071 0.000 0.934 309 A HN 0.801 nan 8.150 nan 0.000 0.461 310 E N 1.399 121.659 120.200 0.100 0.000 2.608 310 E HA 0.096 4.445 4.350 -0.002 0.000 0.259 310 E C -2.314 174.299 176.600 0.022 0.000 0.951 310 E CA -1.148 55.292 56.400 0.067 0.000 0.945 310 E CB 0.294 30.013 29.700 0.030 0.000 0.916 310 E HN 0.281 nan 8.360 nan 0.000 0.477 311 P HA 0.020 nan 4.420 nan 0.000 0.275 311 P C 0.303 177.456 177.300 -0.244 0.000 1.228 311 P CA -0.228 62.628 63.100 -0.407 0.000 0.786 311 P CB 1.038 32.236 31.700 -0.837 0.000 0.927 312 T N 0.518 114.934 114.554 -0.230 0.000 2.597 312 T HA -0.100 4.250 4.350 -0.002 0.000 0.267 312 T C 0.974 175.593 174.700 -0.135 0.000 1.053 312 T CA 2.018 64.035 62.100 -0.137 0.000 1.165 312 T CB -0.435 68.365 68.868 -0.114 0.000 0.863 312 T HN 0.772 nan 8.240 nan 0.000 0.427 313 S N -0.419 115.173 115.700 -0.180 0.000 2.540 313 S HA 0.659 5.128 4.470 -0.002 0.000 0.275 313 S C -1.326 173.172 174.600 -0.171 0.000 1.123 313 S CA -0.943 57.171 58.200 -0.143 0.000 0.907 313 S CB 2.520 65.651 63.200 -0.115 0.000 1.081 313 S HN 0.024 nan 8.310 nan 0.000 0.476 314 V N 3.874 123.715 119.914 -0.123 0.000 2.524 314 V HA 0.599 4.718 4.120 -0.002 0.000 0.297 314 V C -0.693 175.354 176.094 -0.079 0.000 1.035 314 V CA -0.362 61.872 62.300 -0.111 0.000 0.867 314 V CB 1.547 33.318 31.823 -0.087 0.000 1.004 314 V HN 1.015 nan 8.190 nan 0.000 0.426 315 M N 4.931 124.483 119.600 -0.079 0.000 2.446 315 M HA 0.721 5.200 4.480 -0.002 0.000 0.294 315 M C -1.929 174.336 176.300 -0.058 0.000 1.158 315 M CA -0.613 54.650 55.300 -0.061 0.000 0.899 315 M CB 2.453 35.019 32.600 -0.056 0.000 1.687 315 M HN 0.410 nan 8.290 nan 0.000 0.455 316 V N 3.827 123.703 119.914 -0.063 0.000 2.448 316 V HA 0.445 4.564 4.120 -0.002 0.000 0.295 316 V C -0.501 175.522 176.094 -0.119 0.000 1.025 316 V CA -0.828 61.428 62.300 -0.073 0.000 0.859 316 V CB 1.677 33.464 31.823 -0.061 0.000 0.988 316 V HN 0.802 nan 8.190 nan 0.000 0.431 317 N N 2.666 121.254 118.700 -0.186 0.000 2.479 317 N HA 0.263 5.002 4.740 -0.002 0.000 0.261 317 N C 0.697 175.951 175.510 -0.427 0.000 0.979 317 N CA -0.097 52.720 53.050 -0.388 0.000 0.930 317 N CB 2.047 40.157 38.487 -0.629 0.000 1.172 317 N HN 0.772 nan 8.380 nan 0.000 0.499 318 T N 0.957 115.359 114.554 -0.253 0.000 3.122 318 T HA 0.165 4.514 4.350 -0.002 0.000 0.250 318 T C 0.275 175.039 174.700 0.107 0.000 1.067 318 T CA -0.182 61.892 62.100 -0.043 0.000 0.966 318 T CB -0.892 67.973 68.868 -0.005 0.000 1.002 318 T HN 0.417 nan 8.240 nan 0.000 0.542 319 F N 1.427 121.382 119.950 0.008 0.000 3.090 319 F HA -0.120 4.406 4.527 -0.002 0.000 0.282 319 F C 1.506 177.306 175.800 -0.000 0.000 0.923 319 F CA 0.760 58.761 58.000 0.002 0.000 0.977 319 F CB -2.275 36.727 39.000 0.005 0.000 0.954 319 F HN 0.577 nan 8.300 nan 0.000 0.695 320 G N -0.904 107.948 108.800 0.088 0.000 2.159 320 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.256 320 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.256 320 G C 0.885 175.822 174.900 0.061 0.000 0.977 320 G CA 1.003 46.141 45.100 0.062 0.000 0.652 320 G HN 1.188 nan 8.290 nan 0.000 0.531 321 T N -1.589 113.012 114.554 0.078 0.000 3.060 321 T HA 0.492 4.841 4.350 -0.002 0.000 0.249 321 T C 1.466 176.185 174.700 0.032 0.000 1.079 321 T CA 1.091 63.227 62.100 0.059 0.000 1.013 321 T CB 0.604 69.518 68.868 0.076 0.000 0.975 321 T HN 1.411 nan 8.240 nan 0.000 0.518 322 G N 0.972 109.784 108.800 0.021 0.000 2.398 322 G HA2 0.304 4.264 3.960 -0.002 0.000 0.246 322 G HA3 0.304 4.264 3.960 -0.002 0.000 0.246 322 G C 0.560 175.462 174.900 0.003 0.000 1.289 322 G CA -0.784 44.318 45.100 0.004 0.000 0.869 322 G HN 0.380 nan 8.290 nan 0.000 0.543 323 R N 0.509 121.009 120.500 -0.000 0.000 2.299 323 R HA 0.111 4.450 4.340 -0.002 0.000 0.197 323 R C 0.869 177.168 176.300 -0.002 0.000 0.971 323 R CA 0.404 56.504 56.100 -0.000 0.000 1.030 323 R CB 0.021 30.319 30.300 -0.002 0.000 0.932 323 R HN 0.509 nan 8.270 nan 0.000 0.477 324 V N -3.316 116.596 119.914 -0.004 0.000 3.167 324 V HA 0.456 4.575 4.120 -0.002 0.000 0.310 324 V C 0.042 176.132 176.094 -0.006 0.000 1.207 324 V CA -1.305 60.993 62.300 -0.003 0.000 1.059 324 V CB 1.731 33.553 31.823 -0.002 0.000 1.079 324 V HN 0.112 nan 8.190 nan 0.000 0.446 325 S N 0.022 115.719 115.700 -0.006 0.000 2.558 325 S HA 0.054 4.523 4.470 -0.002 0.000 0.288 325 S C 0.580 175.170 174.600 -0.016 0.000 1.318 325 S CA 0.603 58.797 58.200 -0.011 0.000 1.056 325 S CB 0.453 63.648 63.200 -0.009 0.000 0.853 325 S HN 0.848 nan 8.310 nan 0.000 0.505 326 D N 1.350 121.734 120.400 -0.027 0.000 2.133 326 D HA -0.147 4.492 4.640 -0.002 0.000 0.195 326 D C 1.796 178.079 176.300 -0.028 0.000 0.997 326 D CA 1.753 55.729 54.000 -0.039 0.000 0.840 326 D CB -0.305 40.458 40.800 -0.062 0.000 0.947 326 D HN 0.877 nan 8.370 nan 0.000 0.452 327 E N -0.219 119.968 120.200 -0.023 0.000 2.070 327 E HA -0.187 4.162 4.350 -0.002 0.000 0.197 327 E C 1.718 178.316 176.600 -0.003 0.000 1.004 327 E CA 1.601 57.992 56.400 -0.015 0.000 0.805 327 E CB 0.034 29.727 29.700 -0.012 0.000 0.744 327 E HN 0.205 nan 8.360 nan 0.000 0.451 328 T N 1.241 115.795 114.554 0.000 0.000 2.759 328 T HA -0.133 4.216 4.350 -0.002 0.000 0.269 328 T C 1.909 176.620 174.700 0.020 0.000 1.042 328 T CA 1.232 63.339 62.100 0.011 0.000 1.140 328 T CB -0.138 68.735 68.868 0.009 0.000 0.864 328 T HN 0.201 nan 8.240 nan 0.000 0.455 329 I N 1.022 121.597 120.570 0.008 0.000 2.202 329 I HA -0.152 4.017 4.170 -0.002 0.000 0.242 329 I C 2.724 178.854 176.117 0.022 0.000 1.091 329 I CA 1.114 62.421 61.300 0.011 0.000 1.368 329 I CB -0.759 37.234 38.000 -0.011 0.000 1.058 329 I HN 0.215 nan 8.210 nan 0.000 0.410 330 T N 0.663 115.219 114.554 0.004 0.000 2.720 330 T HA -0.216 4.133 4.350 -0.002 0.000 0.268 330 T C 1.933 176.653 174.700 0.033 0.000 1.037 330 T CA 1.375 63.478 62.100 0.005 0.000 1.144 330 T CB -0.190 68.669 68.868 -0.015 0.000 0.864 330 T HN 0.270 nan 8.240 nan 0.000 0.444 331 K N 0.175 120.596 120.400 0.035 0.000 2.057 331 K HA -0.023 4.296 4.320 -0.002 0.000 0.207 331 K C 2.106 178.761 176.600 0.092 0.000 1.049 331 K CA 0.896 57.212 56.287 0.049 0.000 0.931 331 K CB -0.286 32.235 32.500 0.035 0.000 0.714 331 K HN 0.115 nan 8.250 nan 0.000 0.440 332 L N 0.539 121.830 121.223 0.114 0.000 2.079 332 L HA -0.175 4.164 4.340 -0.002 0.000 0.210 332 L C 2.107 179.160 176.870 0.305 0.000 1.081 332 L CA 1.349 56.312 54.840 0.206 0.000 0.752 332 L CB -0.546 41.595 42.059 0.137 0.000 0.896 332 L HN -0.022 nan 8.230 nan 0.000 0.433 333 V N -0.735 119.321 119.914 0.236 0.000 2.407 333 V HA -0.260 3.859 4.120 -0.002 0.000 0.248 333 V C 2.585 178.896 176.094 0.362 0.000 1.055 333 V CA 1.558 64.058 62.300 0.334 0.000 1.049 333 V CB -0.530 31.349 31.823 0.093 0.000 0.662 333 V HN 0.430 nan 8.190 nan 0.000 0.455 334 R N -0.414 120.202 120.500 0.195 0.000 2.153 334 R HA -0.098 4.242 4.340 -0.002 0.000 0.218 334 R C 2.238 178.598 176.300 0.100 0.000 1.072 334 R CA 1.030 57.213 56.100 0.138 0.000 0.990 334 R CB -0.120 30.223 30.300 0.072 0.000 0.889 334 R HN 0.516 nan 8.270 nan 0.000 0.452 335 E N -0.499 119.744 120.200 0.072 0.000 2.152 335 E HA -0.138 4.211 4.350 -0.002 0.000 0.192 335 E C 0.961 177.428 176.600 -0.221 0.000 0.983 335 E CA 1.121 57.467 56.400 -0.089 0.000 0.818 335 E CB 0.172 29.774 29.700 -0.164 0.000 0.758 335 E HN 0.423 nan 8.360 nan 0.000 0.467 336 H N -2.542 116.525 119.070 -0.006 0.000 2.740 336 H HA 0.255 4.810 4.556 -0.001 0.000 0.265 336 H C -0.716 174.319 175.328 -0.489 0.000 0.978 336 H CA -0.092 55.806 56.048 -0.249 0.000 1.198 336 H CB 0.600 30.151 29.762 -0.351 0.000 1.467 336 H HN -0.065 nan 8.280 nan 0.000 0.511 337 F N -0.059 119.978 119.950 0.145 0.000 2.576 337 F HA 0.256 4.782 4.527 -0.002 0.000 0.313 337 F C -0.480 175.390 175.800 0.118 0.000 1.078 337 F CA -1.302 56.791 58.000 0.155 0.000 0.921 337 F CB 1.669 40.765 39.000 0.160 0.000 1.232 337 F HN -0.148 nan 8.300 nan 0.000 0.459 338 D N 2.412 122.993 120.400 0.302 0.000 2.373 338 D HA 0.291 4.930 4.640 -0.002 0.000 0.227 338 D C -0.073 176.362 176.300 0.226 0.000 1.091 338 D CA -0.134 53.990 54.000 0.206 0.000 0.840 338 D CB 1.432 42.321 40.800 0.148 0.000 1.060 338 D HN 0.334 nan 8.370 nan 0.000 0.502 339 L N 3.338 124.682 121.223 0.201 0.000 2.628 339 L HA 0.238 4.578 4.340 -0.002 0.000 0.229 339 L C 1.063 178.090 176.870 0.262 0.000 1.137 339 L CA 0.118 55.089 54.840 0.217 0.000 0.909 339 L CB -0.359 41.796 42.059 0.161 0.000 1.137 339 L HN 0.188 nan 8.230 nan 0.000 0.470 340 R N 0.350 120.967 120.500 0.196 0.000 2.594 340 R HA 0.089 4.428 4.340 -0.002 0.000 0.272 340 R C -1.263 175.106 176.300 0.115 0.000 1.074 340 R CA -1.382 54.829 56.100 0.185 0.000 1.105 340 R CB -0.091 30.280 30.300 0.120 0.000 1.008 340 R HN -0.134 nan 8.270 nan 0.000 0.472 341 P HA -0.230 nan 4.420 nan 0.000 0.216 341 P C 0.428 177.720 177.300 -0.015 0.000 1.157 341 P CA 1.637 64.692 63.100 -0.076 0.000 0.880 341 P CB 0.218 31.841 31.700 -0.128 0.000 0.791 342 K N -1.418 118.993 120.400 0.018 0.000 2.305 342 K HA 0.063 4.382 4.320 -0.002 0.000 0.199 342 K C 2.245 178.880 176.600 0.058 0.000 1.047 342 K CA 0.981 57.290 56.287 0.036 0.000 0.976 342 K CB -0.652 31.870 32.500 0.038 0.000 0.765 342 K HN 0.147 nan 8.250 nan 0.000 0.474 343 G N 1.668 110.511 108.800 0.071 0.000 2.422 343 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.218 343 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.218 343 G C 1.484 176.448 174.900 0.106 0.000 1.146 343 G CA 0.485 45.640 45.100 0.091 0.000 0.769 343 G HN 0.112 nan 8.290 nan 0.000 0.547 344 I N 0.551 121.183 120.570 0.103 0.000 2.179 344 I HA -0.141 4.028 4.170 -0.002 0.000 0.242 344 I C 2.656 178.827 176.117 0.089 0.000 1.088 344 I CA 0.783 62.149 61.300 0.110 0.000 1.357 344 I CB -0.200 37.851 38.000 0.085 0.000 1.051 344 I HN 0.140 nan 8.210 nan 0.000 0.409 345 I N 0.755 121.366 120.570 0.068 0.000 2.208 345 I HA -0.372 3.797 4.170 -0.002 0.000 0.245 345 I C 3.215 179.382 176.117 0.082 0.000 1.097 345 I CA 2.004 63.349 61.300 0.074 0.000 1.363 345 I CB -0.851 37.185 38.000 0.060 0.000 1.051 345 I HN 0.378 nan 8.210 nan 0.000 0.413 346 Q N 0.493 120.341 119.800 0.079 0.000 2.046 346 Q HA -0.226 4.113 4.340 -0.002 0.000 0.200 346 Q C 2.155 178.199 176.000 0.074 0.000 0.975 346 Q CA 1.860 57.708 55.803 0.075 0.000 0.836 346 Q CB -0.873 27.908 28.738 0.073 0.000 0.896 346 Q HN 0.611 nan 8.270 nan 0.000 0.428 347 M N -0.709 118.943 119.600 0.086 0.000 2.213 347 M HA 0.030 4.509 4.480 -0.002 0.000 0.263 347 M C 1.343 177.657 176.300 0.023 0.000 1.062 347 M CA 1.437 56.791 55.300 0.091 0.000 1.105 347 M CB 0.149 32.845 32.600 0.160 0.000 1.385 347 M HN 0.427 nan 8.290 nan 0.000 0.417 348 L N -0.757 120.484 121.223 0.029 0.000 2.766 348 L HA 0.145 4.484 4.340 -0.002 0.000 0.242 348 L C 0.066 176.996 176.870 0.100 0.000 1.136 348 L CA -0.355 54.501 54.840 0.027 0.000 0.933 348 L CB 0.111 42.232 42.059 0.103 0.000 1.241 348 L HN 0.234 nan 8.230 nan 0.000 0.522 349 D N 1.254 121.705 120.400 0.085 0.000 2.803 349 D HA -0.223 4.416 4.640 -0.002 0.000 0.233 349 D C 0.711 177.085 176.300 0.122 0.000 1.182 349 D CA 0.543 54.592 54.000 0.082 0.000 0.726 349 D CB -0.755 40.076 40.800 0.052 0.000 0.987 349 D HN 0.270 nan 8.370 nan 0.000 0.412 350 L N 0.102 121.418 121.223 0.155 0.000 2.554 350 L HA 0.050 4.389 4.340 -0.002 0.000 0.226 350 L C 1.490 178.498 176.870 0.230 0.000 1.137 350 L CA 0.124 55.112 54.840 0.246 0.000 0.863 350 L CB -0.039 42.165 42.059 0.241 0.000 0.985 350 L HN 0.280 nan 8.230 nan 0.000 0.451 351 L N 1.571 122.860 121.223 0.110 0.000 2.583 351 L HA 0.184 4.523 4.340 -0.002 0.000 0.239 351 L C 0.006 176.894 176.870 0.030 0.000 1.347 351 L CA 0.229 55.094 54.840 0.042 0.000 1.246 351 L CB -0.530 41.475 42.059 -0.091 0.000 1.496 351 L HN 0.211 nan 8.230 nan 0.000 0.413 352 R N 1.245 121.801 120.500 0.094 0.000 2.740 352 R HA 0.392 4.731 4.340 -0.002 0.000 0.273 352 R C -2.631 173.704 176.300 0.058 0.000 0.998 352 R CA -1.690 54.432 56.100 0.037 0.000 0.900 352 R CB 2.010 32.311 30.300 0.000 0.000 1.223 352 R HN -0.135 nan 8.270 nan 0.000 0.466 353 P HA 0.135 nan 4.420 nan 0.000 0.238 353 P C 0.102 177.398 177.300 -0.007 0.000 1.794 353 P CA 0.133 63.278 63.100 0.075 0.000 1.088 353 P CB -0.282 31.454 31.700 0.060 0.000 1.923 354 I N -3.578 116.879 120.570 -0.188 0.000 4.081 354 I HA 0.245 4.414 4.170 -0.002 0.000 0.333 354 I C 0.497 176.498 176.117 -0.192 0.000 1.413 354 I CA -0.418 60.757 61.300 -0.208 0.000 1.110 354 I CB -0.118 37.754 38.000 -0.214 0.000 1.082 354 I HN -0.148 nan 8.210 nan 0.000 0.402 355 Y N 1.516 121.926 120.300 0.183 0.000 2.397 355 Y HA 0.106 4.656 4.550 -0.001 0.000 0.292 355 Y C 2.559 178.531 175.900 0.121 0.000 1.115 355 Y CA 0.863 59.062 58.100 0.165 0.000 1.208 355 Y CB -0.141 38.395 38.460 0.128 0.000 1.046 355 Y HN 0.249 nan 8.280 nan 0.000 0.552 356 E N 1.281 121.610 120.200 0.214 0.000 2.097 356 E HA -0.286 4.063 4.350 -0.002 0.000 0.196 356 E C 2.453 179.126 176.600 0.121 0.000 1.000 356 E CA 2.086 58.574 56.400 0.147 0.000 0.804 356 E CB 0.023 29.791 29.700 0.114 0.000 0.740 356 E HN 0.446 nan 8.360 nan 0.000 0.454 357 K N 0.156 120.645 120.400 0.147 0.000 2.209 357 K HA -0.142 4.177 4.320 -0.002 0.000 0.204 357 K C 2.012 178.754 176.600 0.237 0.000 1.048 357 K CA 1.858 58.260 56.287 0.191 0.000 0.940 357 K CB -1.594 31.021 32.500 0.192 0.000 0.729 357 K HN 0.488 nan 8.250 nan 0.000 0.451 358 T N -2.816 111.802 114.554 0.107 0.000 2.995 358 T HA 0.255 4.604 4.350 -0.002 0.000 0.269 358 T C 2.099 176.487 174.700 -0.520 0.000 1.091 358 T CA 1.009 62.914 62.100 -0.325 0.000 1.128 358 T CB -0.130 68.444 68.868 -0.490 0.000 0.891 358 T HN 0.432 nan 8.240 nan 0.000 0.492 359 A N 0.768 123.486 122.820 -0.170 0.000 2.238 359 A HA 0.736 5.055 4.320 -0.002 0.000 0.208 359 A C 1.130 178.667 177.584 -0.078 0.000 1.177 359 A CA 0.232 52.236 52.037 -0.056 0.000 0.804 359 A CB -0.480 18.557 19.000 0.062 0.000 0.823 359 A HN 0.895 nan 8.150 nan 0.000 0.482 360 A N -2.563 120.153 122.820 -0.174 0.000 2.515 360 A HA 0.595 4.914 4.320 -0.002 0.000 0.298 360 A C -0.131 177.240 177.584 -0.355 0.000 1.059 360 A CA -0.496 51.313 52.037 -0.380 0.000 0.698 360 A CB 0.433 19.038 19.000 -0.658 0.000 1.289 360 A HN 0.964 nan 8.150 nan 0.000 0.404 361 Y N -0.563 119.730 120.300 -0.012 0.000 4.838 361 Y HA -0.026 4.523 4.550 -0.001 0.000 0.247 361 Y C 0.969 176.483 175.900 -0.643 0.000 1.009 361 Y CA 1.262 59.272 58.100 -0.150 0.000 2.046 361 Y CB -1.646 36.771 38.460 -0.071 0.000 1.549 361 Y HN 2.654 nan 8.280 nan 0.000 0.651 362 G N -0.668 107.924 108.800 -0.346 0.000 3.055 362 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.686 362 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.686 362 G C 0.225 175.020 174.900 -0.173 0.000 1.087 362 G CA -0.284 44.623 45.100 -0.322 0.000 0.779 362 G HN 0.550 nan 8.290 nan 0.000 0.599 363 H N 0.412 119.286 119.070 -0.327 0.000 2.529 363 H HA 0.111 4.667 4.556 -0.002 0.000 0.277 363 H C 0.442 175.506 175.328 -0.440 0.000 0.999 363 H CA 1.187 56.898 56.048 -0.561 0.000 1.256 363 H CB 0.267 29.503 29.762 -0.877 0.000 1.402 363 H HN 0.343 nan 8.280 nan 0.000 0.566 364 F N -0.521 119.516 119.950 0.144 0.000 2.532 364 F HA 0.468 4.994 4.527 -0.002 0.000 0.321 364 F C 1.141 177.068 175.800 0.211 0.000 1.089 364 F CA -0.763 57.355 58.000 0.196 0.000 0.926 364 F CB 2.033 41.116 39.000 0.139 0.000 1.168 364 F HN 0.098 nan 8.300 nan 0.000 0.459 365 G N 1.876 110.936 108.800 0.433 0.000 2.163 365 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.213 365 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.213 365 G C 0.033 175.105 174.900 0.287 0.000 0.991 365 G CA -0.767 44.545 45.100 0.352 0.000 0.653 365 G HN 0.579 nan 8.290 nan 0.000 0.518 366 R N 0.596 121.259 120.500 0.272 0.000 2.360 366 R HA 0.389 4.728 4.340 -0.002 0.000 0.318 366 R C -0.376 176.044 176.300 0.200 0.000 0.950 366 R CA -0.575 55.661 56.100 0.227 0.000 0.837 366 R CB 1.041 31.499 30.300 0.264 0.000 1.165 366 R HN 0.320 nan 8.270 nan 0.000 0.458 367 E N 2.765 123.013 120.200 0.081 0.000 2.325 367 E HA 0.029 4.378 4.350 -0.002 0.000 0.295 367 E C -0.399 176.131 176.600 -0.116 0.000 1.461 367 E CA -0.106 56.297 56.400 0.005 0.000 1.698 367 E CB 0.382 30.090 29.700 0.014 0.000 1.496 367 E HN 0.289 nan 8.360 nan 0.000 0.474 368 E N 0.792 120.832 120.200 -0.267 0.000 2.366 368 E HA 0.048 4.397 4.350 -0.002 0.000 0.266 368 E C -1.616 174.717 176.600 -0.445 0.000 1.051 368 E CA -2.151 53.946 56.400 -0.506 0.000 0.884 368 E CB 0.607 29.634 29.700 -1.123 0.000 1.006 368 E HN 0.072 nan 8.360 nan 0.000 0.417 369 P HA -0.155 nan 4.420 nan 0.000 0.216 369 P C 0.622 177.762 177.300 -0.266 0.000 1.150 369 P CA 1.259 64.213 63.100 -0.243 0.000 0.837 369 P CB 0.345 31.934 31.700 -0.184 0.000 0.786 370 E N -1.500 118.486 120.200 -0.355 0.000 2.265 370 E HA -0.087 4.262 4.350 -0.002 0.000 0.196 370 E C 0.195 176.661 176.600 -0.224 0.000 0.996 370 E CA 0.641 56.884 56.400 -0.261 0.000 0.832 370 E CB -0.654 28.896 29.700 -0.250 0.000 0.756 370 E HN 0.242 nan 8.360 nan 0.000 0.491 371 F N 0.807 120.396 119.950 -0.600 0.000 2.515 371 F HA 0.226 4.752 4.527 -0.001 0.000 0.353 371 F C 1.515 176.642 175.800 -1.122 0.000 1.213 371 F CA -1.103 56.111 58.000 -1.309 0.000 1.194 371 F CB 0.156 38.494 39.000 -1.103 0.000 1.488 371 F HN -0.132 nan 8.300 nan 0.000 0.619 372 S N 2.309 117.594 115.700 -0.692 0.000 2.383 372 S HA -0.212 4.257 4.470 -0.002 0.000 0.229 372 S C 1.828 176.321 174.600 -0.179 0.000 1.030 372 S CA 1.713 59.754 58.200 -0.265 0.000 1.002 372 S CB -0.274 62.901 63.200 -0.041 0.000 0.829 372 S HN 0.744 nan 8.310 nan 0.000 0.467 373 W N 1.216 122.516 121.300 -0.001 0.000 2.699 373 W HA 0.243 4.903 4.660 -0.001 0.000 0.249 373 W C 1.249 177.933 176.519 0.274 0.000 1.280 373 W CA 0.317 57.708 57.345 0.077 0.000 1.345 373 W CB -0.197 29.291 29.460 0.046 0.000 1.128 373 W HN 0.135 nan 8.180 nan 0.000 0.642 374 E N 0.886 121.040 120.200 -0.077 0.000 2.474 374 E HA 0.205 4.554 4.350 -0.002 0.000 0.195 374 E C 0.520 177.175 176.600 0.092 0.000 1.039 374 E CA 0.218 56.648 56.400 0.050 0.000 0.881 374 E CB 0.079 29.761 29.700 -0.030 0.000 0.970 374 E HN 0.219 nan 8.360 nan 0.000 0.486 375 A N 1.218 124.122 122.820 0.140 0.000 2.409 375 A HA 0.458 4.777 4.320 -0.002 0.000 0.262 375 A C 0.709 178.407 177.584 0.191 0.000 1.113 375 A CA 0.167 52.292 52.037 0.147 0.000 0.790 375 A CB 0.452 19.542 19.000 0.151 0.000 1.046 375 A HN 0.107 nan 8.150 nan 0.000 0.496 376 A N 2.635 125.513 122.820 0.095 0.000 3.105 376 A HA 0.366 4.685 4.320 -0.002 0.000 0.272 376 A C 0.565 178.172 177.584 0.038 0.000 1.466 376 A CA 0.274 52.340 52.037 0.049 0.000 1.101 376 A CB -0.698 18.315 19.000 0.021 0.000 1.065 376 A HN 0.804 nan 8.150 nan 0.000 0.643 377 D N -0.887 119.562 120.400 0.082 0.000 2.340 377 D HA -0.025 4.614 4.640 -0.002 0.000 0.220 377 D C 0.931 177.242 176.300 0.018 0.000 1.039 377 D CA 0.720 54.760 54.000 0.066 0.000 0.866 377 D CB 0.083 40.949 40.800 0.110 0.000 0.913 377 D HN 0.461 nan 8.370 nan 0.000 0.523 378 K N -0.291 120.089 120.400 -0.033 0.000 2.374 378 K HA 0.398 4.717 4.320 -0.002 0.000 0.202 378 K C 1.701 178.234 176.600 -0.112 0.000 1.040 378 K CA 0.276 56.497 56.287 -0.110 0.000 1.085 378 K CB 0.834 33.184 32.500 -0.251 0.000 0.873 378 K HN 0.087 nan 8.250 nan 0.000 0.539 379 A N 1.237 124.018 122.820 -0.066 0.000 1.908 379 A HA -0.173 4.146 4.320 -0.002 0.000 0.218 379 A C 1.859 179.401 177.584 -0.069 0.000 1.181 379 A CA 1.381 53.382 52.037 -0.060 0.000 0.627 379 A CB -0.326 18.653 19.000 -0.036 0.000 0.818 379 A HN 0.108 nan 8.150 nan 0.000 0.445 380 L N -0.461 120.728 121.223 -0.056 0.000 2.046 380 L HA -0.136 4.203 4.340 -0.002 0.000 0.208 380 L C 2.974 179.804 176.870 -0.065 0.000 1.077 380 L CA 1.958 56.770 54.840 -0.047 0.000 0.747 380 L CB -1.085 40.956 42.059 -0.029 0.000 0.896 380 L HN 0.402 nan 8.230 nan 0.000 0.432 381 A N -0.968 121.794 122.820 -0.096 0.000 1.898 381 A HA -0.110 4.209 4.320 -0.002 0.000 0.216 381 A C 2.307 179.751 177.584 -0.232 0.000 1.181 381 A CA 1.329 53.289 52.037 -0.128 0.000 0.620 381 A CB -0.655 18.271 19.000 -0.123 0.000 0.819 381 A HN 0.369 nan 8.150 nan 0.000 0.442 382 L N -0.827 120.224 121.223 -0.287 0.000 2.056 382 L HA -0.163 4.176 4.340 -0.002 0.000 0.207 382 L C 3.115 179.912 176.870 -0.121 0.000 1.078 382 L CA 0.972 55.658 54.840 -0.257 0.000 0.749 382 L CB -0.637 41.315 42.059 -0.179 0.000 0.901 382 L HN 0.442 nan 8.230 nan 0.000 0.433 383 A N 0.506 123.274 122.820 -0.087 0.000 1.858 383 A HA -0.264 4.055 4.320 -0.002 0.000 0.216 383 A C 2.444 180.004 177.584 -0.039 0.000 1.190 383 A CA 2.267 54.273 52.037 -0.051 0.000 0.617 383 A CB -1.019 17.956 19.000 -0.040 0.000 0.827 383 A HN 0.421 nan 8.150 nan 0.000 0.443 384 E N -0.356 119.820 120.200 -0.039 0.000 2.118 384 E HA -0.037 4.312 4.350 -0.002 0.000 0.195 384 E C 2.253 178.847 176.600 -0.010 0.000 0.992 384 E CA 2.349 58.737 56.400 -0.020 0.000 0.804 384 E CB -1.192 28.500 29.700 -0.014 0.000 0.741 384 E HN 1.006 nan 8.360 nan 0.000 0.458 385 A N 0.932 123.742 122.820 -0.017 0.000 1.825 385 A HA 0.273 4.592 4.320 -0.002 0.000 0.214 385 A C 2.899 180.486 177.584 0.004 0.000 1.206 385 A CA 2.728 54.771 52.037 0.010 0.000 0.609 385 A CB -1.084 17.931 19.000 0.025 0.000 0.851 385 A HN 1.149 nan 8.150 nan 0.000 0.445 386 A N -1.959 120.855 122.820 -0.009 0.000 1.940 386 A HA 0.288 4.607 4.320 -0.002 0.000 0.219 386 A C 1.892 179.474 177.584 -0.004 0.000 1.176 386 A CA 2.120 54.154 52.037 -0.004 0.000 0.631 386 A CB -0.995 17.998 19.000 -0.012 0.000 0.814 386 A HN 2.207 nan 8.150 nan 0.000 0.446 387 G N -2.417 106.379 108.800 -0.007 0.000 2.245 387 G HA2 0.071 4.030 3.960 -0.002 0.000 0.130 387 G HA3 0.071 4.030 3.960 -0.002 0.000 0.130 387 G C -0.157 174.738 174.900 -0.007 0.000 1.040 387 G CA -0.112 44.985 45.100 -0.005 0.000 0.713 387 G HN 0.842 nan 8.290 nan 0.000 0.488 388 V N 0.000 119.907 119.914 -0.011 0.000 2.409 388 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 388 V CA 0.000 62.293 62.300 -0.012 0.000 1.235 388 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 388 V HN 0.000 nan 8.190 nan 0.000 0.556