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 1p1h_1_B DATA FIRST_RESID 10 DATA SEQUENCE TSVKVVTDKC TYKDNELLTK YSYENAVVTK TASGRFDVTP TVQDYVFKLD DATA SEQUENCE LKKPEKLGIM LIGLGGNNGS TLVASVLANK HNVEFQTKEG VKQPNYFGSM DATA SEQUENCE TQCSTLKLGI DAEGNDVYAP FNSLLPMVSP NDFVVSGWDI NNADLYEAMQ DATA SEQUENCE RSQVLEYDLQ QRLKAKMSLV KPLPSIYYPD FIAANQDERA NNCINLDEKG DATA SEQUENCE NVTTRGKWTH LQRIRRDIQN FKEENALDKV IVLWTANTER YVEVSPGVND DATA SEQUENCE TMENLLQSIK NDHEEIAPST IFAAASILEG VPYINGSPQN TFVPGLVQLA DATA SEQUENCE EHEGTFIAGD DLKSGQTKLK SVLAQFLVDA GIKPVSIASY NHLGNNDXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXSNDILYN DKLGKKVDHC IVIKYMKPVG DATA SEQUENCE DSKVAMDEYY SELMLGGHNR ISIHNVCEDS LLATPLIIDL LVMTEFCTRV DATA SEQUENCE SYKKVXXXXX XXGKFENFYP VLTFLSYWLK APLTRPGFHP VNGLNKQRTA DATA SEQUENCE LENFLRLLIG LPSQNELRFE ERLL 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.702 174.700 0.003 0.000 1.109 10 T CA 0.000 62.105 62.100 0.009 0.000 1.349 10 T CB 0.000 68.877 68.868 0.015 0.000 0.612 11 S N 0.819 116.518 115.700 -0.002 0.000 2.627 11 S HA 0.936 5.406 4.470 -0.000 0.000 0.283 11 S C -1.330 173.264 174.600 -0.011 0.000 1.127 11 S CA -0.840 57.356 58.200 -0.007 0.000 0.863 11 S CB 1.970 65.165 63.200 -0.009 0.000 1.121 11 S HN 0.594 nan 8.310 nan 0.000 0.479 12 V N 1.434 121.339 119.914 -0.014 0.000 2.577 12 V HA 0.706 4.826 4.120 -0.000 0.000 0.303 12 V C -0.928 175.162 176.094 -0.006 0.000 1.042 12 V CA -0.538 61.752 62.300 -0.017 0.000 0.872 12 V CB 1.745 33.547 31.823 -0.034 0.000 0.998 12 V HN 0.949 nan 8.190 nan 0.000 0.423 13 K N 4.035 124.434 120.400 -0.002 0.000 2.559 13 K HA 0.584 4.904 4.320 -0.000 0.000 0.249 13 K C -1.224 175.384 176.600 0.015 0.000 0.958 13 K CA -0.397 55.897 56.287 0.011 0.000 0.901 13 K CB 1.600 34.102 32.500 0.003 0.000 1.124 13 K HN 0.492 nan 8.250 nan 0.000 0.437 14 V N 5.287 125.217 119.914 0.026 0.000 2.439 14 V HA 0.483 4.603 4.120 -0.000 0.000 0.282 14 V C -0.764 175.353 176.094 0.039 0.000 1.039 14 V CA -0.630 61.683 62.300 0.022 0.000 0.913 14 V CB 1.541 33.372 31.823 0.014 0.000 0.983 14 V HN 0.480 nan 8.190 nan 0.000 0.460 15 V N 6.866 126.798 119.914 0.030 0.000 2.338 15 V HA 0.424 4.544 4.120 -0.000 0.000 0.255 15 V C 0.463 176.579 176.094 0.038 0.000 1.082 15 V CA 0.537 62.859 62.300 0.036 0.000 0.951 15 V CB 0.108 31.947 31.823 0.026 0.000 1.102 15 V HN 1.061 nan 8.190 nan 0.000 0.489 16 T N 1.835 116.418 114.554 0.048 0.000 2.900 16 T HA 0.381 4.731 4.350 -0.000 0.000 0.303 16 T C 0.136 174.866 174.700 0.049 0.000 1.142 16 T CA -0.324 61.803 62.100 0.046 0.000 1.007 16 T CB 1.924 70.819 68.868 0.046 0.000 1.156 16 T HN 0.782 nan 8.240 nan 0.000 0.490 17 D N 1.408 121.834 120.400 0.044 0.000 2.342 17 D HA 0.215 4.855 4.640 -0.000 0.000 0.221 17 D C 0.977 177.302 176.300 0.041 0.000 1.101 17 D CA -0.040 53.985 54.000 0.042 0.000 0.837 17 D CB 0.254 41.076 40.800 0.037 0.000 0.938 17 D HN 0.482 nan 8.370 nan 0.000 0.508 18 K N -0.544 119.882 120.400 0.045 0.000 2.354 18 K HA 0.206 4.526 4.320 -0.000 0.000 0.194 18 K C -0.262 176.352 176.600 0.024 0.000 1.038 18 K CA -0.069 56.250 56.287 0.053 0.000 1.052 18 K CB 0.602 33.154 32.500 0.085 0.000 0.861 18 K HN 0.158 nan 8.250 nan 0.000 0.535 19 C N 1.999 121.293 119.300 -0.010 0.000 2.255 19 C HA 0.391 4.851 4.460 -0.000 0.000 0.326 19 C C 0.512 175.380 174.990 -0.204 0.000 1.258 19 C CA -0.728 58.217 59.018 -0.122 0.000 1.676 19 C CB 0.528 28.212 27.740 -0.094 0.000 2.314 19 C HN 0.226 nan 8.230 nan 0.000 0.509 20 T N 2.066 116.430 114.554 -0.316 0.000 2.948 20 T HA 0.631 4.981 4.350 -0.000 0.000 0.285 20 T C -1.329 173.034 174.700 -0.562 0.000 1.019 20 T CA -0.196 61.753 62.100 -0.250 0.000 1.013 20 T CB 0.961 69.776 68.868 -0.088 0.000 1.117 20 T HN 0.546 nan 8.240 nan 0.000 0.533 21 Y N 0.769 121.082 120.300 0.023 0.000 2.362 21 Y HA 0.509 5.059 4.550 -0.000 0.000 0.326 21 Y C -0.137 175.767 175.900 0.007 0.000 1.083 21 Y CA -0.896 57.210 58.100 0.011 0.000 1.073 21 Y CB 1.729 40.194 38.460 0.008 0.000 1.211 21 Y HN 0.385 nan 8.280 nan 0.000 0.433 22 K N 3.244 123.724 120.400 0.135 0.000 2.615 22 K HA 0.367 4.687 4.320 -0.000 0.000 0.249 22 K C -1.539 175.092 176.600 0.053 0.000 0.977 22 K CA -0.718 55.615 56.287 0.076 0.000 0.833 22 K CB 0.961 33.486 32.500 0.042 0.000 1.208 22 K HN 0.781 nan 8.250 nan 0.000 0.443 23 D N 3.726 124.153 120.400 0.044 0.000 3.142 23 D HA -0.226 4.414 4.640 -0.000 0.000 0.221 23 D C -0.666 175.649 176.300 0.024 0.000 1.193 23 D CA 0.791 54.806 54.000 0.024 0.000 0.900 23 D CB -1.267 39.538 40.800 0.008 0.000 0.886 23 D HN 0.801 nan 8.370 nan 0.000 0.399 24 N N -0.594 118.128 118.700 0.037 0.000 2.708 24 N HA -0.248 4.492 4.740 -0.000 0.000 0.251 24 N C -0.516 175.021 175.510 0.046 0.000 1.017 24 N CA 1.750 54.823 53.050 0.038 0.000 0.742 24 N CB -0.489 38.005 38.487 0.011 0.000 0.943 24 N HN 0.864 nan 8.380 nan 0.000 0.539 25 E N -0.214 120.035 120.200 0.081 0.000 2.340 25 E HA 0.574 4.924 4.350 -0.000 0.000 0.273 25 E C -1.143 175.507 176.600 0.083 0.000 0.891 25 E CA -0.762 55.659 56.400 0.035 0.000 0.757 25 E CB 1.707 31.385 29.700 -0.037 0.000 1.231 25 E HN 0.152 nan 8.360 nan 0.000 0.439 26 L N 4.877 126.091 121.223 -0.014 0.000 2.356 26 L HA 0.502 4.842 4.340 -0.000 0.000 0.277 26 L C -1.810 174.956 176.870 -0.173 0.000 0.996 26 L CA -0.796 53.931 54.840 -0.189 0.000 0.822 26 L CB 0.910 42.928 42.059 -0.069 0.000 1.256 26 L HN 0.496 nan 8.230 nan 0.000 0.413 27 L N 4.475 125.562 121.223 -0.227 0.000 2.313 27 L HA 0.564 4.904 4.340 -0.000 0.000 0.283 27 L C -0.119 176.726 176.870 -0.041 0.000 1.013 27 L CA -0.248 54.555 54.840 -0.061 0.000 0.816 27 L CB 1.679 43.730 42.059 -0.014 0.000 1.236 27 L HN 0.608 nan 8.230 nan 0.000 0.419 28 T N 2.909 117.520 114.554 0.096 0.000 2.881 28 T HA 0.382 4.732 4.350 -0.000 0.000 0.290 28 T C -0.077 174.776 174.700 0.255 0.000 1.000 28 T CA -0.724 61.457 62.100 0.135 0.000 0.978 28 T CB 2.215 71.159 68.868 0.126 0.000 0.997 28 T HN 0.325 nan 8.240 nan 0.000 0.443 29 K N 2.312 122.838 120.400 0.211 0.000 2.234 29 K HA 0.448 4.768 4.320 -0.000 0.000 0.282 29 K C -1.305 175.516 176.600 0.368 0.000 1.039 29 K CA -0.571 55.860 56.287 0.239 0.000 0.928 29 K CB 0.990 33.575 32.500 0.140 0.000 1.039 29 K HN 0.642 nan 8.250 nan 0.000 0.470 30 Y N 0.856 121.329 120.300 0.290 0.000 2.396 30 Y HA 0.158 4.708 4.550 -0.000 0.000 0.332 30 Y C -0.933 175.180 175.900 0.354 0.000 1.034 30 Y CA -0.614 57.696 58.100 0.349 0.000 1.057 30 Y CB 1.938 40.720 38.460 0.537 0.000 1.220 30 Y HN 0.493 nan 8.280 nan 0.000 0.440 31 S N 6.696 122.152 115.700 -0.406 0.000 2.404 31 S HA 0.231 4.701 4.470 -0.000 0.000 0.309 31 S C -1.249 173.017 174.600 -0.558 0.000 1.076 31 S CA -0.367 57.649 58.200 -0.306 0.000 1.095 31 S CB -0.219 62.879 63.200 -0.170 0.000 0.972 31 S HN 0.646 nan 8.310 nan 0.000 0.484 32 Y N 4.459 124.574 120.300 -0.307 0.000 2.452 32 Y HA 0.350 4.900 4.550 -0.000 0.000 0.348 32 Y C 0.165 176.079 175.900 0.023 0.000 0.985 32 Y CA -0.276 57.799 58.100 -0.041 0.000 1.214 32 Y CB 0.350 39.081 38.460 0.450 0.000 1.136 32 Y HN 0.588 nan 8.280 nan 0.000 0.523 33 E N 5.839 125.791 120.200 -0.413 0.000 2.204 33 E HA 0.317 4.667 4.350 -0.000 0.000 0.276 33 E C -0.937 175.324 176.600 -0.565 0.000 0.974 33 E CA -0.671 55.492 56.400 -0.396 0.000 0.815 33 E CB 1.805 31.393 29.700 -0.185 0.000 1.119 33 E HN 0.809 nan 8.360 nan 0.000 0.393 34 N N 0.624 119.082 118.700 -0.404 0.000 3.587 34 N HA 0.732 5.472 4.740 -0.000 0.000 0.339 34 N C -2.008 173.424 175.510 -0.130 0.000 1.636 34 N CA -0.687 52.199 53.050 -0.274 0.000 0.788 34 N CB 1.539 39.853 38.487 -0.288 0.000 2.205 34 N HN 0.396 nan 8.380 nan 0.000 0.600 35 A N 0.857 123.637 122.820 -0.067 0.000 2.547 35 A HA 0.421 4.741 4.320 -0.000 0.000 0.298 35 A C -1.588 175.993 177.584 -0.007 0.000 1.062 35 A CA -0.431 51.586 52.037 -0.034 0.000 0.748 35 A CB 0.703 19.686 19.000 -0.028 0.000 1.288 35 A HN 0.251 nan 8.150 nan 0.000 0.396 36 V N 2.230 122.146 119.914 0.002 0.000 2.546 36 V HA 0.551 4.671 4.120 -0.000 0.000 0.284 36 V C 0.180 176.291 176.094 0.027 0.000 1.050 36 V CA -0.337 61.971 62.300 0.014 0.000 0.981 36 V CB 1.337 33.166 31.823 0.010 0.000 0.990 36 V HN 0.719 nan 8.190 nan 0.000 0.474 37 V N 3.612 123.552 119.914 0.043 0.000 2.864 37 V HA 0.728 4.847 4.120 -0.000 0.000 0.314 37 V C 0.036 176.180 176.094 0.083 0.000 1.073 37 V CA -0.343 62.007 62.300 0.083 0.000 0.956 37 V CB 2.400 34.296 31.823 0.121 0.000 1.023 37 V HN 0.978 nan 8.190 nan 0.000 0.435 38 T N 2.712 117.321 114.554 0.092 0.000 2.883 38 T HA 0.535 4.884 4.350 -0.000 0.000 0.301 38 T C -0.952 173.740 174.700 -0.013 0.000 1.158 38 T CA -0.760 61.361 62.100 0.036 0.000 1.007 38 T CB 2.342 71.214 68.868 0.007 0.000 1.186 38 T HN 0.653 nan 8.240 nan 0.000 0.499 39 K N 0.812 121.145 120.400 -0.112 0.000 2.395 39 K HA 0.770 5.090 4.320 -0.000 0.000 0.247 39 K C -0.083 176.404 176.600 -0.188 0.000 0.973 39 K CA -0.638 55.472 56.287 -0.294 0.000 0.828 39 K CB 1.821 34.047 32.500 -0.457 0.000 1.272 39 K HN 0.848 nan 8.250 nan 0.000 0.439 40 T N -1.679 112.755 114.554 -0.201 0.000 2.735 40 T HA 0.467 4.817 4.350 -0.000 0.000 0.262 40 T C 1.291 175.924 174.700 -0.112 0.000 0.955 40 T CA -0.054 61.973 62.100 -0.121 0.000 1.022 40 T CB 0.745 69.560 68.868 -0.088 0.000 1.455 40 T HN 0.482 nan 8.240 nan 0.000 0.583 41 A N 1.305 124.079 122.820 -0.076 0.000 1.873 41 A HA 0.110 4.430 4.320 -0.000 0.000 0.218 41 A C 1.715 179.257 177.584 -0.070 0.000 1.193 41 A CA 1.886 53.887 52.037 -0.060 0.000 0.629 41 A CB -1.644 17.331 19.000 -0.042 0.000 0.826 41 A HN 1.225 nan 8.150 nan 0.000 0.447 42 S N -1.578 114.079 115.700 -0.071 0.000 2.645 42 S HA 0.463 4.933 4.470 -0.000 0.000 0.266 42 S C 1.044 175.572 174.600 -0.121 0.000 1.258 42 S CA -0.147 58.012 58.200 -0.069 0.000 0.990 42 S CB 1.054 64.227 63.200 -0.044 0.000 0.967 42 S HN 0.838 nan 8.310 nan 0.000 0.556 43 G N -0.121 108.616 108.800 -0.104 0.000 3.229 43 G HA2 0.029 3.989 3.960 -0.000 0.000 0.214 43 G HA3 0.029 3.989 3.960 -0.000 0.000 0.214 43 G C 0.463 175.226 174.900 -0.229 0.000 1.256 43 G CA -0.356 44.639 45.100 -0.175 0.000 1.042 43 G HN 0.704 nan 8.290 nan 0.000 0.497 44 R N 0.311 120.701 120.500 -0.183 0.000 2.351 44 R HA 0.256 4.596 4.340 -0.000 0.000 0.318 44 R C -1.175 175.010 176.300 -0.192 0.000 1.055 44 R CA -0.860 55.181 56.100 -0.098 0.000 0.968 44 R CB -0.591 29.677 30.300 -0.055 0.000 0.974 44 R HN 0.009 nan 8.270 nan 0.000 0.439 45 F N 3.514 123.464 119.950 0.001 0.000 2.391 45 F HA 0.278 4.804 4.527 -0.000 0.000 0.359 45 F C 0.193 175.992 175.800 -0.001 0.000 1.122 45 F CA -0.301 57.699 58.000 0.001 0.000 1.120 45 F CB 1.334 40.335 39.000 0.002 0.000 1.142 45 F HN 0.411 nan 8.300 nan 0.000 0.483 46 D N 4.155 124.637 120.400 0.136 0.000 2.373 46 D HA 0.271 4.911 4.640 -0.000 0.000 0.227 46 D C -0.610 175.741 176.300 0.085 0.000 1.091 46 D CA -0.023 54.027 54.000 0.083 0.000 0.840 46 D CB 2.146 42.967 40.800 0.035 0.000 1.060 46 D HN 0.113 nan 8.370 nan 0.000 0.502 47 V N 2.588 122.545 119.914 0.072 0.000 2.370 47 V HA 0.273 4.393 4.120 -0.000 0.000 0.279 47 V C 0.530 176.639 176.094 0.025 0.000 1.029 47 V CA -0.380 61.949 62.300 0.049 0.000 0.870 47 V CB 1.614 33.458 31.823 0.036 0.000 0.984 47 V HN 0.428 nan 8.190 nan 0.000 0.451 48 T N 7.511 122.075 114.554 0.016 0.000 2.963 48 T HA 0.335 4.684 4.350 -0.000 0.000 0.343 48 T C -2.449 172.247 174.700 -0.007 0.000 1.146 48 T CA -1.086 61.016 62.100 0.004 0.000 1.016 48 T CB 1.111 69.982 68.868 0.005 0.000 1.046 48 T HN 0.487 nan 8.240 nan 0.000 0.496 49 P HA 0.144 nan 4.420 nan 0.000 0.268 49 P C -0.090 177.186 177.300 -0.039 0.000 1.208 49 P CA -0.009 63.071 63.100 -0.033 0.000 0.777 49 P CB 0.524 32.203 31.700 -0.033 0.000 0.875 50 T N -1.398 113.119 114.554 -0.062 0.000 2.906 50 T HA 0.700 5.050 4.350 -0.000 0.000 0.295 50 T C -0.594 174.051 174.700 -0.092 0.000 1.075 50 T CA -0.707 61.358 62.100 -0.059 0.000 1.005 50 T CB 1.264 70.109 68.868 -0.038 0.000 1.136 50 T HN 0.200 nan 8.240 nan 0.000 0.498 51 V N 0.753 120.629 119.914 -0.064 0.000 3.114 51 V HA 0.887 5.007 4.120 -0.000 0.000 0.308 51 V C -1.341 174.734 176.094 -0.032 0.000 1.168 51 V CA -0.896 61.363 62.300 -0.068 0.000 1.015 51 V CB 1.994 33.777 31.823 -0.067 0.000 1.050 51 V HN 1.135 nan 8.190 nan 0.000 0.433 52 Q N 1.199 120.991 119.800 -0.012 0.000 2.380 52 Q HA 0.419 4.759 4.340 -0.000 0.000 0.245 52 Q C -2.064 173.848 176.000 -0.147 0.000 0.893 52 Q CA -0.281 55.467 55.803 -0.092 0.000 0.922 52 Q CB 1.793 30.510 28.738 -0.036 0.000 1.432 52 Q HN 0.859 nan 8.270 nan 0.000 0.434 53 D N 2.991 123.260 120.400 -0.218 0.000 2.210 53 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 53 D C -0.790 175.355 176.300 -0.258 0.000 1.078 53 D CA 0.328 54.248 54.000 -0.133 0.000 0.875 53 D CB 0.703 41.456 40.800 -0.079 0.000 1.175 53 D HN 0.370 nan 8.370 nan 0.000 0.440 54 Y N -0.027 120.289 120.300 0.028 0.000 2.633 54 Y HA 0.656 5.206 4.550 -0.000 0.000 0.339 54 Y C -0.437 175.417 175.900 -0.076 0.000 1.045 54 Y CA -1.200 56.846 58.100 -0.089 0.000 1.098 54 Y CB 1.558 39.847 38.460 -0.284 0.000 1.296 54 Y HN 0.051 nan 8.280 nan 0.000 0.494 55 V N 2.279 122.198 119.914 0.008 0.000 2.482 55 V HA 0.358 4.478 4.120 -0.000 0.000 0.295 55 V C -1.264 174.863 176.094 0.054 0.000 1.026 55 V CA -0.923 61.427 62.300 0.084 0.000 0.856 55 V CB 0.985 32.857 31.823 0.083 0.000 1.001 55 V HN 0.480 nan 8.190 nan 0.000 0.424 56 F N 3.619 123.754 119.950 0.308 0.000 2.404 56 F HA 0.567 5.094 4.527 -0.000 0.000 0.339 56 F C 0.402 176.305 175.800 0.171 0.000 1.105 56 F CA -0.441 57.718 58.000 0.266 0.000 1.087 56 F CB 1.484 40.578 39.000 0.157 0.000 1.143 56 F HN 0.232 nan 8.300 nan 0.000 0.491 57 K N 4.009 124.563 120.400 0.256 0.000 2.358 57 K HA 0.551 4.871 4.320 -0.000 0.000 0.260 57 K C -1.904 174.673 176.600 -0.038 0.000 0.956 57 K CA -0.856 55.399 56.287 -0.052 0.000 0.834 57 K CB 1.512 33.672 32.500 -0.567 0.000 1.102 57 K HN 0.632 nan 8.250 nan 0.000 0.431 58 L N 4.377 125.566 121.223 -0.057 0.000 2.319 58 L HA 0.332 4.672 4.340 -0.000 0.000 0.281 58 L C -0.889 175.932 176.870 -0.082 0.000 1.005 58 L CA -0.357 54.432 54.840 -0.085 0.000 0.828 58 L CB 1.373 43.377 42.059 -0.092 0.000 1.227 58 L HN 0.555 nan 8.230 nan 0.000 0.415 59 D N 4.416 124.759 120.400 -0.095 0.000 2.346 59 D HA 0.090 4.730 4.640 -0.000 0.000 0.260 59 D C 0.896 177.172 176.300 -0.040 0.000 1.252 59 D CA 0.206 54.166 54.000 -0.067 0.000 0.895 59 D CB 0.798 41.556 40.800 -0.070 0.000 1.097 59 D HN 0.676 nan 8.370 nan 0.000 0.489 60 L N 2.527 123.750 121.223 -0.000 0.000 2.478 60 L HA -0.001 4.339 4.340 -0.000 0.000 0.223 60 L C 1.272 178.153 176.870 0.019 0.000 1.140 60 L CA 0.274 55.130 54.840 0.027 0.000 0.842 60 L CB -0.362 41.733 42.059 0.060 0.000 0.953 60 L HN 0.188 nan 8.230 nan 0.000 0.452 61 K N 3.045 123.448 120.400 0.004 0.000 2.167 61 K HA 0.064 4.384 4.320 -0.000 0.000 0.275 61 K C 0.097 176.701 176.600 0.006 0.000 1.103 61 K CA -0.073 56.216 56.287 0.003 0.000 0.963 61 K CB -0.055 32.441 32.500 -0.006 0.000 1.243 61 K HN 0.135 nan 8.250 nan 0.000 0.407 62 K N 3.615 124.028 120.400 0.021 0.000 2.144 62 K HA 0.427 4.747 4.320 -0.000 0.000 0.270 62 K C -2.280 174.336 176.600 0.027 0.000 1.005 62 K CA -1.959 54.348 56.287 0.033 0.000 0.932 62 K CB 0.468 33.004 32.500 0.060 0.000 1.021 62 K HN 0.200 nan 8.250 nan 0.000 0.462 63 P HA -0.022 nan 4.420 nan 0.000 0.265 63 P C -0.200 177.117 177.300 0.028 0.000 1.193 63 P CA -0.011 63.101 63.100 0.020 0.000 0.765 63 P CB 0.573 32.286 31.700 0.021 0.000 0.823 64 E N 1.342 121.551 120.200 0.016 0.000 2.208 64 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 64 E C 0.115 176.731 176.600 0.027 0.000 0.988 64 E CA 1.021 57.431 56.400 0.017 0.000 0.828 64 E CB 0.145 29.848 29.700 0.004 0.000 0.763 64 E HN 0.345 nan 8.360 nan 0.000 0.478 65 K N 0.810 121.223 120.400 0.023 0.000 2.482 65 K HA 0.327 4.646 4.320 -0.000 0.000 0.251 65 K C -1.270 175.351 176.600 0.034 0.000 0.936 65 K CA -0.852 55.456 56.287 0.035 0.000 0.791 65 K CB 2.319 34.819 32.500 -0.000 0.000 1.213 65 K HN -0.086 nan 8.250 nan 0.000 0.428 66 L N 1.648 122.919 121.223 0.080 0.000 2.287 66 L HA 0.530 4.870 4.340 -0.000 0.000 0.287 66 L C 0.136 177.010 176.870 0.006 0.000 1.022 66 L CA -0.044 54.811 54.840 0.025 0.000 0.814 66 L CB 1.461 43.523 42.059 0.005 0.000 1.217 66 L HN 0.706 nan 8.230 nan 0.000 0.420 67 G N 6.201 115.015 108.800 0.024 0.000 2.390 67 G HA2 0.525 4.485 3.960 -0.000 0.000 0.270 67 G HA3 0.525 4.485 3.960 -0.000 0.000 0.270 67 G C -0.676 174.319 174.900 0.157 0.000 1.211 67 G CA -0.372 44.848 45.100 0.200 0.000 0.842 67 G HN 0.477 nan 8.290 nan 0.000 0.519 68 I N 2.482 123.134 120.570 0.137 0.000 2.466 68 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 68 I C -0.181 175.778 176.117 -0.262 0.000 1.026 68 I CA -0.633 60.598 61.300 -0.115 0.000 1.078 68 I CB 1.873 39.742 38.000 -0.218 0.000 1.249 68 I HN 0.357 nan 8.210 nan 0.000 0.429 69 M N 7.219 126.641 119.600 -0.296 0.000 2.085 69 M HA 0.484 4.964 4.480 -0.000 0.000 0.309 69 M C -0.887 175.287 176.300 -0.210 0.000 0.947 69 M CA -0.476 54.535 55.300 -0.483 0.000 0.918 69 M CB 1.919 34.187 32.600 -0.552 0.000 1.504 69 M HN 0.295 nan 8.290 nan 0.000 0.420 70 L N 4.585 125.656 121.223 -0.253 0.000 2.275 70 L HA 0.524 4.863 4.340 -0.000 0.000 0.288 70 L C -0.446 176.367 176.870 -0.095 0.000 1.046 70 L CA -0.865 53.883 54.840 -0.153 0.000 0.805 70 L CB 1.246 43.198 42.059 -0.179 0.000 1.193 70 L HN 0.594 nan 8.230 nan 0.000 0.426 71 I N 3.131 123.601 120.570 -0.166 0.000 2.337 71 I HA 0.342 4.512 4.170 -0.000 0.000 0.291 71 I C 0.999 176.783 176.117 -0.555 0.000 1.046 71 I CA 0.487 61.538 61.300 -0.416 0.000 1.324 71 I CB 0.958 38.380 38.000 -0.963 0.000 1.409 71 I HN 0.839 nan 8.210 nan 0.000 0.494 72 G N 4.696 113.259 108.800 -0.396 0.000 2.215 72 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.198 72 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.198 72 G C 0.541 175.302 174.900 -0.231 0.000 1.047 72 G CA -0.016 44.875 45.100 -0.349 0.000 0.747 72 G HN 0.620 nan 8.290 nan 0.000 0.495 73 L N 0.651 121.763 121.223 -0.185 0.000 2.191 73 L HA 0.278 4.618 4.340 -0.000 0.000 0.212 73 L C 2.313 179.110 176.870 -0.122 0.000 1.103 73 L CA 3.063 57.811 54.840 -0.154 0.000 0.769 73 L CB -0.236 41.723 42.059 -0.167 0.000 0.908 73 L HN 0.454 nan 8.230 nan 0.000 0.438 74 G N -1.225 107.504 108.800 -0.117 0.000 3.141 74 G HA2 0.296 4.256 3.960 -0.000 0.000 0.218 74 G HA3 0.296 4.256 3.960 -0.000 0.000 0.218 74 G C 0.722 175.566 174.900 -0.094 0.000 1.170 74 G CA 0.242 45.285 45.100 -0.095 0.000 0.769 74 G HN 0.577 nan 8.290 nan 0.000 0.546 75 G N 0.273 109.009 108.800 -0.105 0.000 2.509 75 G HA2 0.262 4.222 3.960 -0.000 0.000 0.269 75 G HA3 0.262 4.222 3.960 -0.000 0.000 0.269 75 G C 0.830 175.687 174.900 -0.071 0.000 1.416 75 G CA -0.335 44.711 45.100 -0.091 0.000 1.052 75 G HN 0.103 nan 8.290 nan 0.000 0.542 76 N N 0.191 118.858 118.700 -0.055 0.000 2.080 76 N HA -0.112 4.627 4.740 -0.000 0.000 0.189 76 N C 2.076 177.562 175.510 -0.040 0.000 1.036 76 N CA 1.247 54.273 53.050 -0.040 0.000 0.846 76 N CB -0.202 38.271 38.487 -0.022 0.000 1.015 76 N HN 0.373 nan 8.380 nan 0.000 0.423 77 N N 0.133 118.806 118.700 -0.044 0.000 2.142 77 N HA -0.050 4.689 4.740 -0.000 0.000 0.186 77 N C 1.824 177.305 175.510 -0.048 0.000 1.023 77 N CA 1.291 54.318 53.050 -0.038 0.000 0.852 77 N CB -0.917 37.545 38.487 -0.041 0.000 0.998 77 N HN 0.313 nan 8.380 nan 0.000 0.424 78 G N 0.809 109.565 108.800 -0.073 0.000 2.480 78 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.216 78 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.216 78 G C 1.724 176.590 174.900 -0.058 0.000 1.200 78 G CA 1.782 46.834 45.100 -0.080 0.000 0.782 78 G HN 0.510 nan 8.290 nan 0.000 0.554 79 S N -0.073 115.592 115.700 -0.058 0.000 2.382 79 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 79 S C 2.237 176.815 174.600 -0.037 0.000 1.027 79 S CA 2.070 60.241 58.200 -0.048 0.000 0.991 79 S CB -0.822 62.344 63.200 -0.057 0.000 0.823 79 S HN 0.288 nan 8.310 nan 0.000 0.469 80 T N 2.754 117.287 114.554 -0.036 0.000 2.821 80 T HA 0.066 4.416 4.350 -0.000 0.000 0.267 80 T C 1.671 176.366 174.700 -0.008 0.000 1.046 80 T CA 1.225 63.307 62.100 -0.030 0.000 1.139 80 T CB -0.555 68.299 68.868 -0.024 0.000 0.871 80 T HN 0.319 nan 8.240 nan 0.000 0.454 81 L N 1.459 122.684 121.223 0.003 0.000 1.994 81 L HA -0.048 4.291 4.340 -0.000 0.000 0.208 81 L C 2.419 179.318 176.870 0.048 0.000 1.071 81 L CA 1.612 56.475 54.840 0.038 0.000 0.745 81 L CB -0.770 41.309 42.059 0.033 0.000 0.892 81 L HN 0.063 nan 8.230 nan 0.000 0.431 82 V N 0.220 120.148 119.914 0.023 0.000 2.343 82 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 82 V C 2.811 178.917 176.094 0.019 0.000 1.051 82 V CA 1.659 63.977 62.300 0.029 0.000 1.036 82 V CB -1.436 30.391 31.823 0.007 0.000 0.654 82 V HN 0.628 nan 8.190 nan 0.000 0.451 83 A N 0.688 123.504 122.820 -0.007 0.000 1.972 83 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 83 A C 2.533 180.088 177.584 -0.048 0.000 1.169 83 A CA 2.147 54.164 52.037 -0.033 0.000 0.635 83 A CB -0.648 18.312 19.000 -0.066 0.000 0.810 83 A HN 0.692 nan 8.150 nan 0.000 0.446 84 S N -0.588 115.096 115.700 -0.027 0.000 2.406 84 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 84 S C 1.722 176.313 174.600 -0.015 0.000 1.020 84 S CA 1.246 59.419 58.200 -0.045 0.000 0.965 84 S CB -0.722 62.503 63.200 0.042 0.000 0.798 84 S HN 0.220 nan 8.310 nan 0.000 0.488 85 V N 2.126 122.076 119.914 0.061 0.000 2.307 85 V HA -0.064 4.056 4.120 -0.000 0.000 0.245 85 V C 2.569 178.659 176.094 -0.007 0.000 1.045 85 V CA 1.664 64.001 62.300 0.062 0.000 1.024 85 V CB -0.807 31.053 31.823 0.062 0.000 0.651 85 V HN 0.449 nan 8.190 nan 0.000 0.449 86 L N 0.024 121.258 121.223 0.018 0.000 2.027 86 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 86 L C 2.770 179.677 176.870 0.063 0.000 1.074 86 L CA 1.555 56.445 54.840 0.082 0.000 0.745 86 L CB -0.859 41.270 42.059 0.116 0.000 0.898 86 L HN 0.343 nan 8.230 nan 0.000 0.433 87 A N 0.220 123.031 122.820 -0.016 0.000 1.883 87 A HA -0.220 4.099 4.320 -0.000 0.000 0.217 87 A C 2.125 179.656 177.584 -0.089 0.000 1.186 87 A CA 1.980 53.990 52.037 -0.045 0.000 0.624 87 A CB -0.620 18.314 19.000 -0.110 0.000 0.822 87 A HN 0.452 nan 8.150 nan 0.000 0.444 88 N N -0.500 118.084 118.700 -0.193 0.000 2.135 88 N HA -0.136 4.604 4.740 -0.000 0.000 0.186 88 N C 1.843 177.259 175.510 -0.157 0.000 1.027 88 N CA 1.440 54.334 53.050 -0.260 0.000 0.849 88 N CB -0.306 37.843 38.487 -0.564 0.000 1.002 88 N HN 0.595 nan 8.380 nan 0.000 0.425 89 K N 0.594 120.891 120.400 -0.172 0.000 2.063 89 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 89 K C 0.782 177.173 176.600 -0.350 0.000 1.048 89 K CA 1.285 57.404 56.287 -0.279 0.000 0.928 89 K CB -0.006 32.240 32.500 -0.423 0.000 0.713 89 K HN 0.340 nan 8.250 nan 0.000 0.442 90 H N 0.559 119.610 119.070 -0.033 0.000 2.520 90 H HA 0.138 4.694 4.556 -0.000 0.000 0.284 90 H C -0.208 175.101 175.328 -0.032 0.000 1.037 90 H CA -0.034 55.996 56.048 -0.029 0.000 1.168 90 H CB 0.138 29.883 29.762 -0.028 0.000 1.497 90 H HN 0.273 nan 8.280 nan 0.000 0.547 91 N N 0.799 119.513 118.700 0.022 0.000 2.714 91 N HA -0.158 4.581 4.740 -0.000 0.000 0.252 91 N C -0.324 175.202 175.510 0.027 0.000 1.014 91 N CA 0.360 53.411 53.050 0.001 0.000 0.735 91 N CB -1.491 36.993 38.487 -0.004 0.000 0.924 91 N HN 0.079 nan 8.380 nan 0.000 0.540 92 V N 1.171 121.114 119.914 0.048 0.000 2.341 92 V HA -0.007 4.113 4.120 -0.000 0.000 0.248 92 V C 1.197 177.370 176.094 0.131 0.000 1.107 92 V CA -0.215 62.126 62.300 0.068 0.000 1.069 92 V CB 0.080 31.937 31.823 0.056 0.000 1.177 92 V HN 0.275 nan 8.190 nan 0.000 0.492 93 E N 5.346 125.594 120.200 0.079 0.000 2.374 93 E HA 0.538 4.888 4.350 -0.000 0.000 0.260 93 E C -0.668 176.015 176.600 0.139 0.000 1.101 93 E CA -0.519 55.904 56.400 0.038 0.000 0.907 93 E CB 1.152 30.807 29.700 -0.074 0.000 1.014 93 E HN 0.498 nan 8.360 nan 0.000 0.427 94 F N -1.814 118.103 119.950 -0.055 0.000 2.643 94 F HA 0.415 4.942 4.527 -0.000 0.000 0.314 94 F C -0.776 175.006 175.800 -0.030 0.000 1.096 94 F CA -1.466 56.508 58.000 -0.044 0.000 0.953 94 F CB 1.068 40.038 39.000 -0.050 0.000 1.345 94 F HN 0.211 nan 8.300 nan 0.000 0.468 95 Q N 1.458 121.325 119.800 0.111 0.000 2.235 95 Q HA 0.554 4.894 4.340 -0.000 0.000 0.250 95 Q C -0.389 175.680 176.000 0.115 0.000 0.909 95 Q CA -0.190 55.636 55.803 0.039 0.000 0.910 95 Q CB 2.040 30.814 28.738 0.061 0.000 1.223 95 Q HN 0.973 nan 8.270 nan 0.000 0.432 96 T N -2.700 111.876 114.554 0.037 0.000 2.864 96 T HA 0.327 4.677 4.350 -0.000 0.000 0.299 96 T C 0.517 175.240 174.700 0.037 0.000 1.166 96 T CA -0.954 61.192 62.100 0.077 0.000 1.007 96 T CB 1.140 70.050 68.868 0.070 0.000 1.219 96 T HN 0.632 nan 8.240 nan 0.000 0.506 97 K N -0.010 120.417 120.400 0.045 0.000 2.574 97 K HA 0.032 4.352 4.320 -0.000 0.000 0.193 97 K C 1.205 177.812 176.600 0.012 0.000 1.035 97 K CA 1.209 57.512 56.287 0.027 0.000 0.982 97 K CB 0.019 32.536 32.500 0.028 0.000 0.795 97 K HN 0.746 nan 8.250 nan 0.000 0.491 98 E N 0.564 120.767 120.200 0.005 0.000 2.498 98 E HA 0.134 4.483 4.350 -0.000 0.000 0.203 98 E C -0.003 176.579 176.600 -0.030 0.000 1.013 98 E CA 0.139 56.535 56.400 -0.007 0.000 0.927 98 E CB 0.566 30.265 29.700 -0.002 0.000 1.012 98 E HN 0.469 nan 8.360 nan 0.000 0.482 99 G N -0.040 108.737 108.800 -0.039 0.000 2.462 99 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.685 99 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.685 99 G C -0.784 174.044 174.900 -0.121 0.000 1.295 99 G CA -0.511 44.551 45.100 -0.063 0.000 0.941 99 G HN 0.064 nan 8.290 nan 0.000 0.554 100 V N 1.195 121.027 119.914 -0.137 0.000 2.585 100 V HA 0.372 4.492 4.120 -0.000 0.000 0.296 100 V C 0.795 176.694 176.094 -0.324 0.000 1.035 100 V CA 0.528 62.696 62.300 -0.220 0.000 1.084 100 V CB 0.927 32.659 31.823 -0.152 0.000 0.953 100 V HN 0.688 nan 8.190 nan 0.000 0.483 101 K N 3.708 123.738 120.400 -0.617 0.000 2.259 101 K HA 0.510 4.830 4.320 -0.000 0.000 0.249 101 K C -0.813 175.402 176.600 -0.642 0.000 0.942 101 K CA -0.927 54.968 56.287 -0.652 0.000 0.816 101 K CB 1.804 33.836 32.500 -0.781 0.000 1.155 101 K HN 0.518 nan 8.250 nan 0.000 0.428 102 Q N 2.604 122.198 119.800 -0.344 0.000 2.235 102 Q HA 0.305 4.645 4.340 -0.000 0.000 0.250 102 Q C -2.160 173.749 176.000 -0.152 0.000 0.909 102 Q CA -1.966 53.714 55.803 -0.205 0.000 0.910 102 Q CB 0.897 29.547 28.738 -0.148 0.000 1.223 102 Q HN 0.443 nan 8.270 nan 0.000 0.432 103 P HA 0.112 nan 4.420 nan 0.000 0.272 103 P C -0.757 176.373 177.300 -0.284 0.000 1.230 103 P CA -0.144 62.909 63.100 -0.078 0.000 0.788 103 P CB 0.752 32.406 31.700 -0.076 0.000 0.949 104 N N -1.003 117.445 118.700 -0.419 0.000 3.179 104 N HA 0.201 4.941 4.740 -0.000 0.000 0.250 104 N C -1.473 173.744 175.510 -0.489 0.000 1.507 104 N CA -0.678 52.077 53.050 -0.491 0.000 0.883 104 N CB 0.006 38.051 38.487 -0.736 0.000 1.435 104 N HN 0.164 nan 8.380 nan 0.000 0.532 105 Y N -0.255 120.002 120.300 -0.072 0.000 2.736 105 Y HA 0.476 5.026 4.550 -0.000 0.000 0.293 105 Y C -0.375 175.625 175.900 0.167 0.000 1.062 105 Y CA -1.116 56.991 58.100 0.011 0.000 1.247 105 Y CB -0.227 38.227 38.460 -0.011 0.000 1.200 105 Y HN 0.340 nan 8.280 nan 0.000 0.552 106 F N 0.569 120.579 119.950 0.100 0.000 2.629 106 F HA 0.174 4.701 4.527 -0.000 0.000 0.369 106 F C 1.559 177.406 175.800 0.078 0.000 1.125 106 F CA 1.024 59.067 58.000 0.072 0.000 1.330 106 F CB 0.578 39.605 39.000 0.047 0.000 1.071 106 F HN 0.491 nan 8.300 nan 0.000 0.595 107 G N 1.717 110.655 108.800 0.230 0.000 2.176 107 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.232 107 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.232 107 G C -0.024 174.959 174.900 0.137 0.000 0.986 107 G CA 0.057 45.252 45.100 0.158 0.000 0.643 107 G HN 0.778 nan 8.290 nan 0.000 0.522 108 S N 0.121 115.898 115.700 0.128 0.000 2.433 108 S HA 0.633 5.102 4.470 -0.000 0.000 0.310 108 S C 1.442 176.036 174.600 -0.010 0.000 1.097 108 S CA 0.386 58.619 58.200 0.055 0.000 1.103 108 S CB 0.998 64.210 63.200 0.021 0.000 0.992 108 S HN 0.526 nan 8.310 nan 0.000 0.469 109 M N 4.763 124.327 119.600 -0.060 0.000 2.099 109 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 109 M C 2.053 178.078 176.300 -0.459 0.000 1.067 109 M CA 2.474 57.631 55.300 -0.239 0.000 1.124 109 M CB -0.858 31.546 32.600 -0.326 0.000 1.353 109 M HN 0.837 nan 8.290 nan 0.000 0.410 110 T N -1.518 112.752 114.554 -0.473 0.000 2.833 110 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 110 T C 1.690 176.323 174.700 -0.112 0.000 1.054 110 T CA 1.117 62.975 62.100 -0.403 0.000 1.135 110 T CB -0.292 68.434 68.868 -0.237 0.000 0.869 110 T HN 0.470 nan 8.240 nan 0.000 0.466 111 Q N -0.331 119.406 119.800 -0.104 0.000 2.373 111 Q HA 0.270 4.610 4.340 -0.000 0.000 0.210 111 Q C 1.668 177.704 176.000 0.061 0.000 0.913 111 Q CA 0.530 56.319 55.803 -0.024 0.000 0.911 111 Q CB 0.041 28.739 28.738 -0.066 0.000 1.040 111 Q HN 0.619 nan 8.270 nan 0.000 0.521 112 C N 1.122 120.452 119.300 0.051 0.000 3.240 112 C HA 0.371 4.831 4.460 -0.000 0.000 0.271 112 C C 0.911 175.916 174.990 0.024 0.000 1.534 112 C CA -0.578 58.484 59.018 0.073 0.000 1.796 112 C CB -0.382 27.437 27.740 0.132 0.000 2.892 112 C HN 0.329 nan 8.230 nan 0.000 0.566 113 S N 0.491 116.204 115.700 0.022 0.000 2.689 113 S HA 0.865 5.335 4.470 -0.000 0.000 0.306 113 S C -0.332 174.342 174.600 0.124 0.000 1.104 113 S CA -0.154 58.067 58.200 0.036 0.000 0.973 113 S CB 1.728 64.925 63.200 -0.006 0.000 1.121 113 S HN 0.442 nan 8.310 nan 0.000 0.523 114 T N -1.060 113.578 114.554 0.141 0.000 2.907 114 T HA 0.779 5.129 4.350 -0.000 0.000 0.290 114 T C -1.211 173.652 174.700 0.271 0.000 1.066 114 T CA -0.793 61.430 62.100 0.205 0.000 1.012 114 T CB 1.021 70.008 68.868 0.199 0.000 1.184 114 T HN 0.460 nan 8.240 nan 0.000 0.522 115 L N 0.921 122.277 121.223 0.222 0.000 2.381 115 L HA 0.581 4.921 4.340 -0.000 0.000 0.268 115 L C -0.135 176.700 176.870 -0.058 0.000 0.997 115 L CA -0.834 54.066 54.840 0.100 0.000 0.818 115 L CB 2.106 44.130 42.059 -0.059 0.000 1.310 115 L HN 0.842 nan 8.230 nan 0.000 0.416 116 K N 2.675 122.902 120.400 -0.288 0.000 2.276 116 K HA 0.343 4.663 4.320 -0.000 0.000 0.285 116 K C 0.353 176.760 176.600 -0.321 0.000 1.062 116 K CA -0.231 55.663 56.287 -0.655 0.000 0.918 116 K CB 0.650 32.699 32.500 -0.751 0.000 1.055 116 K HN 0.645 nan 8.250 nan 0.000 0.477 117 L N 2.888 123.950 121.223 -0.269 0.000 2.354 117 L HA 0.211 4.551 4.340 -0.000 0.000 0.212 117 L C 1.149 177.937 176.870 -0.137 0.000 1.091 117 L CA 0.602 55.346 54.840 -0.161 0.000 0.828 117 L CB 0.230 42.221 42.059 -0.114 0.000 0.973 117 L HN 1.020 nan 8.230 nan 0.000 0.461 118 G N 0.040 108.743 108.800 -0.162 0.000 2.455 118 G HA2 0.173 4.133 3.960 -0.000 0.000 0.223 118 G HA3 0.173 4.133 3.960 -0.000 0.000 0.223 118 G C -1.506 173.332 174.900 -0.103 0.000 1.226 118 G CA -0.301 44.731 45.100 -0.114 0.000 0.948 118 G HN -0.001 nan 8.290 nan 0.000 0.478 119 I N -0.683 119.852 120.570 -0.058 0.000 2.910 119 I HA 0.801 4.971 4.170 -0.000 0.000 0.310 119 I C -0.516 175.589 176.117 -0.019 0.000 1.043 119 I CA -1.009 60.271 61.300 -0.034 0.000 1.053 119 I CB 2.138 40.128 38.000 -0.017 0.000 1.242 119 I HN 0.650 nan 8.210 nan 0.000 0.452 120 D N 2.830 123.227 120.400 -0.005 0.000 2.567 120 D HA 0.406 5.045 4.640 -0.000 0.000 0.275 120 D C 1.093 177.396 176.300 0.005 0.000 1.195 120 D CA -0.325 53.675 54.000 0.001 0.000 1.087 120 D CB 0.726 41.531 40.800 0.008 0.000 1.165 120 D HN 0.645 nan 8.370 nan 0.000 0.609 121 A N -0.499 122.326 122.820 0.007 0.000 1.948 121 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 121 A C 1.798 179.389 177.584 0.011 0.000 1.177 121 A CA 1.849 53.891 52.037 0.009 0.000 0.636 121 A CB -0.848 18.157 19.000 0.009 0.000 0.815 121 A HN 0.573 nan 8.150 nan 0.000 0.449 122 E N -1.790 118.417 120.200 0.013 0.000 2.371 122 E HA 0.297 4.647 4.350 -0.000 0.000 0.194 122 E C 1.261 177.871 176.600 0.017 0.000 1.012 122 E CA 0.828 57.237 56.400 0.015 0.000 0.860 122 E CB -0.083 29.627 29.700 0.016 0.000 0.811 122 E HN 0.821 nan 8.360 nan 0.000 0.502 123 G N 0.305 109.115 108.800 0.016 0.000 2.148 123 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.203 123 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.203 123 G C -0.278 174.633 174.900 0.019 0.000 0.993 123 G CA -0.382 44.729 45.100 0.017 0.000 0.661 123 G HN 0.119 nan 8.290 nan 0.000 0.518 124 N N 1.390 120.103 118.700 0.021 0.000 2.498 124 N HA 0.404 5.144 4.740 -0.000 0.000 0.287 124 N C -0.585 174.941 175.510 0.026 0.000 1.097 124 N CA -0.468 52.602 53.050 0.032 0.000 0.973 124 N CB 0.990 39.501 38.487 0.039 0.000 1.153 124 N HN 0.121 nan 8.380 nan 0.000 0.472 125 D N 0.531 120.957 120.400 0.044 0.000 2.455 125 D HA 0.079 4.719 4.640 -0.000 0.000 0.241 125 D C -0.151 176.158 176.300 0.015 0.000 1.138 125 D CA 0.286 54.285 54.000 -0.002 0.000 0.877 125 D CB 0.831 41.671 40.800 0.067 0.000 1.187 125 D HN 0.046 nan 8.370 nan 0.000 0.451 126 V N 3.269 123.111 119.914 -0.120 0.000 2.409 126 V HA 0.277 4.397 4.120 -0.000 0.000 0.291 126 V C -0.635 175.339 176.094 -0.201 0.000 1.020 126 V CA -0.820 61.448 62.300 -0.054 0.000 0.848 126 V CB 0.614 32.411 31.823 -0.043 0.000 0.990 126 V HN 0.361 nan 8.190 nan 0.000 0.430 127 Y N 2.542 122.839 120.300 -0.005 0.000 2.360 127 Y HA 0.769 5.318 4.550 -0.000 0.000 0.337 127 Y C 0.460 176.357 175.900 -0.005 0.000 1.039 127 Y CA -0.413 57.684 58.100 -0.005 0.000 1.109 127 Y CB 2.045 40.506 38.460 0.001 0.000 1.201 127 Y HN 0.754 nan 8.280 nan 0.000 0.458 128 A N 4.375 127.258 122.820 0.105 0.000 2.380 128 A HA 0.778 5.098 4.320 -0.000 0.000 0.315 128 A C -2.981 174.650 177.584 0.078 0.000 1.101 128 A CA -2.360 49.714 52.037 0.061 0.000 0.771 128 A CB 1.187 20.186 19.000 -0.002 0.000 1.287 128 A HN 0.459 nan 8.150 nan 0.000 0.436 129 P HA 0.050 nan 4.420 nan 0.000 0.265 129 P C 0.472 177.828 177.300 0.095 0.000 1.193 129 P CA 0.077 63.233 63.100 0.093 0.000 0.765 129 P CB 0.182 31.925 31.700 0.072 0.000 0.823 130 F N 4.630 124.570 119.950 -0.018 0.000 2.192 130 F HA -0.234 4.293 4.527 -0.000 0.000 0.301 130 F C 1.393 177.140 175.800 -0.089 0.000 1.079 130 F CA 2.011 59.978 58.000 -0.053 0.000 1.303 130 F CB -0.435 38.535 39.000 -0.050 0.000 1.024 130 F HN 0.408 nan 8.300 nan 0.000 0.494 131 N N -0.954 117.866 118.700 0.200 0.000 2.276 131 N HA 0.014 4.753 4.740 -0.000 0.000 0.212 131 N C 0.855 176.366 175.510 0.002 0.000 1.127 131 N CA 0.557 53.659 53.050 0.087 0.000 0.834 131 N CB -0.101 38.451 38.487 0.108 0.000 1.014 131 N HN 0.229 nan 8.380 nan 0.000 0.491 132 S N -0.376 115.309 115.700 -0.024 0.000 2.539 132 S HA 0.208 4.678 4.470 -0.000 0.000 0.221 132 S C 1.478 176.045 174.600 -0.055 0.000 0.987 132 S CA -0.574 57.612 58.200 -0.024 0.000 0.929 132 S CB -0.132 63.066 63.200 -0.003 0.000 0.832 132 S HN 0.232 nan 8.310 nan 0.000 0.492 133 L N 0.215 121.369 121.223 -0.115 0.000 2.049 133 L HA 0.366 4.705 4.340 -0.000 0.000 0.203 133 L C 0.602 177.424 176.870 -0.079 0.000 1.074 133 L CA 0.931 55.695 54.840 -0.127 0.000 0.749 133 L CB -0.255 41.669 42.059 -0.224 0.000 0.907 133 L HN 0.300 nan 8.230 nan 0.000 0.439 134 L N -0.536 120.637 121.223 -0.085 0.000 2.371 134 L HA 0.407 4.747 4.340 -0.000 0.000 0.262 134 L C -2.373 174.547 176.870 0.083 0.000 1.006 134 L CA -1.949 52.913 54.840 0.036 0.000 0.818 134 L CB 2.123 44.263 42.059 0.134 0.000 1.354 134 L HN -0.161 nan 8.230 nan 0.000 0.415 135 P HA 0.115 nan 4.420 nan 0.000 0.266 135 P C -1.242 176.183 177.300 0.209 0.000 1.215 135 P CA 0.328 63.506 63.100 0.130 0.000 0.763 135 P CB 0.580 32.343 31.700 0.104 0.000 0.806 136 M N 2.248 121.936 119.600 0.146 0.000 2.572 136 M HA 0.324 4.804 4.480 -0.000 0.000 0.299 136 M C -0.302 176.071 176.300 0.122 0.000 1.205 136 M CA -1.344 54.061 55.300 0.175 0.000 0.876 136 M CB 2.634 35.295 32.600 0.102 0.000 1.728 136 M HN -0.042 nan 8.290 nan 0.000 0.458 137 V N 1.297 121.299 119.914 0.146 0.000 2.614 137 V HA 0.159 4.278 4.120 -0.000 0.000 0.291 137 V C 0.395 176.540 176.094 0.086 0.000 1.049 137 V CA -0.205 62.177 62.300 0.136 0.000 1.038 137 V CB 1.312 33.256 31.823 0.202 0.000 0.980 137 V HN 0.918 nan 8.190 nan 0.000 0.481 138 S N 6.253 121.954 115.700 0.001 0.000 2.562 138 S HA 0.333 4.802 4.470 -0.000 0.000 0.275 138 S C -0.994 173.338 174.600 -0.446 0.000 1.281 138 S CA -1.345 56.756 58.200 -0.165 0.000 1.045 138 S CB 1.293 64.425 63.200 -0.115 0.000 0.962 138 S HN 0.677 nan 8.310 nan 0.000 0.503 139 P HA -0.071 nan 4.420 nan 0.000 0.225 139 P C 0.562 177.325 177.300 -0.896 0.000 1.148 139 P CA 0.817 62.809 63.100 -1.847 0.000 0.779 139 P CB -0.034 30.760 31.700 -1.509 0.000 0.780 140 N N 0.293 118.765 118.700 -0.380 0.000 2.520 140 N HA -0.083 4.657 4.740 -0.000 0.000 0.185 140 N C 0.759 176.204 175.510 -0.108 0.000 1.068 140 N CA 0.979 53.941 53.050 -0.146 0.000 0.911 140 N CB -0.372 38.074 38.487 -0.069 0.000 0.961 140 N HN 0.253 nan 8.380 nan 0.000 0.446 141 D N -0.616 119.730 120.400 -0.090 0.000 2.424 141 D HA 0.101 4.740 4.640 -0.000 0.000 0.220 141 D C -0.095 176.348 176.300 0.239 0.000 1.150 141 D CA -0.130 53.903 54.000 0.055 0.000 0.831 141 D CB 0.135 40.972 40.800 0.062 0.000 0.981 141 D HN 0.181 nan 8.370 nan 0.000 0.500 142 F N 1.013 120.958 119.950 -0.008 0.000 2.412 142 F HA 0.221 4.748 4.527 -0.000 0.000 0.348 142 F C 0.712 176.529 175.800 0.027 0.000 1.102 142 F CA -0.641 57.363 58.000 0.007 0.000 1.196 142 F CB 1.486 40.484 39.000 -0.003 0.000 1.144 142 F HN -0.364 nan 8.300 nan 0.000 0.541 143 V N 4.974 125.025 119.914 0.229 0.000 2.334 143 V HA 0.246 4.366 4.120 -0.000 0.000 0.281 143 V C -0.246 176.006 176.094 0.263 0.000 1.016 143 V CA -0.619 61.791 62.300 0.183 0.000 0.832 143 V CB 1.331 33.203 31.823 0.081 0.000 0.999 143 V HN 0.427 nan 8.190 nan 0.000 0.439 144 V N 4.064 124.089 119.914 0.186 0.000 2.483 144 V HA 0.791 4.910 4.120 -0.000 0.000 0.295 144 V C 0.219 176.305 176.094 -0.014 0.000 1.035 144 V CA 0.045 62.392 62.300 0.077 0.000 0.896 144 V CB 1.560 33.413 31.823 0.050 0.000 0.986 144 V HN 0.888 nan 8.190 nan 0.000 0.447 145 S N 2.125 117.671 115.700 -0.257 0.000 3.121 145 S HA 0.988 5.458 4.470 -0.000 0.000 0.324 145 S C -0.262 173.988 174.600 -0.584 0.000 1.192 145 S CA 0.314 58.273 58.200 -0.401 0.000 0.937 145 S CB 1.602 64.489 63.200 -0.522 0.000 1.336 145 S HN 1.823 nan 8.310 nan 0.000 0.664 146 G N -0.376 107.957 108.800 -0.777 0.000 2.350 146 G HA2 0.212 4.172 3.960 -0.000 0.000 0.282 146 G HA3 0.212 4.172 3.960 -0.000 0.000 0.282 146 G C -2.084 172.358 174.900 -0.764 0.000 1.314 146 G CA -0.526 44.024 45.100 -0.915 0.000 0.915 146 G HN 0.593 nan 8.290 nan 0.000 0.499 147 W N 0.045 121.231 121.300 -0.190 0.000 2.719 147 W HA 0.746 5.406 4.660 -0.000 0.000 0.352 147 W C -0.850 175.553 176.519 -0.193 0.000 1.085 147 W CA -0.330 56.935 57.345 -0.133 0.000 1.187 147 W CB 2.313 31.752 29.460 -0.035 0.000 1.417 147 W HN 0.618 nan 8.180 nan 0.000 0.557 148 D N 0.943 121.399 120.400 0.093 0.000 2.769 148 D HA 0.126 4.766 4.640 -0.000 0.000 0.219 148 D C 0.492 176.779 176.300 -0.021 0.000 1.245 148 D CA -0.408 53.573 54.000 -0.031 0.000 0.801 148 D CB 2.223 42.978 40.800 -0.075 0.000 1.598 148 D HN 0.412 nan 8.370 nan 0.000 0.485 149 I N 0.067 120.592 120.570 -0.075 0.000 3.334 149 I HA 0.139 4.308 4.170 -0.000 0.000 0.282 149 I C 0.407 176.458 176.117 -0.109 0.000 1.313 149 I CA 0.305 61.544 61.300 -0.103 0.000 1.396 149 I CB -0.097 37.773 38.000 -0.218 0.000 1.054 149 I HN 0.023 nan 8.210 nan 0.000 0.495 150 N N 2.683 121.330 118.700 -0.088 0.000 2.342 150 N HA 0.094 4.834 4.740 -0.000 0.000 0.293 150 N C 0.129 175.610 175.510 -0.048 0.000 1.026 150 N CA -0.364 52.642 53.050 -0.073 0.000 0.857 150 N CB 1.312 39.751 38.487 -0.080 0.000 1.256 150 N HN 0.221 nan 8.380 nan 0.000 0.484 151 N N 2.224 120.904 118.700 -0.034 0.000 2.521 151 N HA -0.002 4.738 4.740 -0.000 0.000 0.188 151 N C 0.420 175.917 175.510 -0.022 0.000 1.146 151 N CA -0.171 52.866 53.050 -0.021 0.000 0.893 151 N CB -0.133 38.349 38.487 -0.009 0.000 0.975 151 N HN 0.474 nan 8.380 nan 0.000 0.451 152 A N 1.089 123.891 122.820 -0.030 0.000 2.565 152 A HA 0.139 4.459 4.320 -0.000 0.000 0.237 152 A C 0.234 177.804 177.584 -0.024 0.000 1.053 152 A CA -0.154 51.867 52.037 -0.028 0.000 0.755 152 A CB -0.343 18.631 19.000 -0.043 0.000 0.980 152 A HN 0.627 nan 8.150 nan 0.000 0.506 153 D N 1.277 121.675 120.400 -0.003 0.000 2.384 153 D HA 0.150 4.790 4.640 -0.000 0.000 0.244 153 D C 0.806 177.108 176.300 0.003 0.000 1.251 153 D CA -0.534 53.471 54.000 0.009 0.000 0.961 153 D CB 0.294 41.120 40.800 0.043 0.000 1.116 153 D HN 0.308 nan 8.370 nan 0.000 0.484 154 L N -0.617 120.613 121.223 0.011 0.000 2.465 154 L HA -0.100 4.240 4.340 -0.000 0.000 0.224 154 L C 1.691 178.579 176.870 0.030 0.000 1.145 154 L CA 0.612 55.453 54.840 0.001 0.000 0.834 154 L CB -0.541 41.515 42.059 -0.005 0.000 0.944 154 L HN 0.532 nan 8.230 nan 0.000 0.451 155 Y N 1.286 121.559 120.300 -0.044 0.000 2.243 155 Y HA -0.172 4.378 4.550 -0.000 0.000 0.293 155 Y C 2.312 178.189 175.900 -0.037 0.000 1.124 155 Y CA 1.332 59.404 58.100 -0.046 0.000 1.159 155 Y CB -0.127 38.306 38.460 -0.045 0.000 1.008 155 Y HN 0.163 nan 8.280 nan 0.000 0.527 156 E N 0.278 120.343 120.200 -0.225 0.000 2.153 156 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 156 E C 2.319 178.790 176.600 -0.215 0.000 0.988 156 E CA 0.906 57.140 56.400 -0.277 0.000 0.811 156 E CB -0.253 29.390 29.700 -0.096 0.000 0.746 156 E HN 0.577 nan 8.360 nan 0.000 0.466 157 A N 1.237 123.972 122.820 -0.142 0.000 1.873 157 A HA -0.173 4.147 4.320 -0.000 0.000 0.215 157 A C 2.176 179.685 177.584 -0.124 0.000 1.186 157 A CA 1.191 53.161 52.037 -0.110 0.000 0.616 157 A CB -0.405 18.547 19.000 -0.080 0.000 0.823 157 A HN 0.127 nan 8.150 nan 0.000 0.442 158 M N -0.757 118.757 119.600 -0.145 0.000 2.108 158 M HA -0.257 4.223 4.480 -0.000 0.000 0.261 158 M C 2.459 178.670 176.300 -0.149 0.000 1.066 158 M CA 1.783 57.004 55.300 -0.131 0.000 1.107 158 M CB -0.528 32.001 32.600 -0.117 0.000 1.356 158 M HN 0.528 nan 8.290 nan 0.000 0.406 159 Q N -0.547 119.108 119.800 -0.241 0.000 2.084 159 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 159 Q C 2.090 178.022 176.000 -0.112 0.000 0.978 159 Q CA 1.448 57.134 55.803 -0.194 0.000 0.844 159 Q CB -0.317 28.245 28.738 -0.293 0.000 0.898 159 Q HN 0.498 nan 8.270 nan 0.000 0.426 160 R N 0.300 120.732 120.500 -0.114 0.000 2.092 160 R HA -0.070 4.270 4.340 -0.000 0.000 0.231 160 R C 2.089 178.360 176.300 -0.049 0.000 1.119 160 R CA 1.524 57.582 56.100 -0.071 0.000 0.970 160 R CB 0.004 30.261 30.300 -0.071 0.000 0.864 160 R HN 0.033 nan 8.270 nan 0.000 0.440 161 S N 0.803 116.469 115.700 -0.057 0.000 2.406 161 S HA -0.083 4.387 4.470 -0.000 0.000 0.228 161 S C 0.143 174.727 174.600 -0.026 0.000 1.020 161 S CA 0.942 59.119 58.200 -0.038 0.000 0.965 161 S CB 0.007 63.179 63.200 -0.046 0.000 0.798 161 S HN 0.437 nan 8.310 nan 0.000 0.488 162 Q N -0.593 119.189 119.800 -0.031 0.000 2.453 162 Q HA -0.164 4.176 4.340 -0.000 0.000 0.294 162 Q C 0.468 176.462 176.000 -0.011 0.000 1.295 162 Q CA 0.326 56.120 55.803 -0.014 0.000 0.853 162 Q CB -2.074 26.661 28.738 -0.006 0.000 1.193 162 Q HN 0.383 nan 8.270 nan 0.000 0.461 163 V N -0.925 118.976 119.914 -0.022 0.000 2.581 163 V HA 0.071 4.191 4.120 -0.000 0.000 0.240 163 V C 1.073 177.149 176.094 -0.030 0.000 1.054 163 V CA 1.097 63.384 62.300 -0.022 0.000 1.076 163 V CB 0.219 32.025 31.823 -0.028 0.000 0.748 163 V HN 0.292 nan 8.190 nan 0.000 0.474 164 L N 0.070 121.261 121.223 -0.052 0.000 2.375 164 L HA 0.398 4.738 4.340 -0.000 0.000 0.268 164 L C 0.355 177.187 176.870 -0.063 0.000 1.058 164 L CA -0.678 54.109 54.840 -0.090 0.000 0.803 164 L CB 0.535 42.505 42.059 -0.150 0.000 1.212 164 L HN 0.108 nan 8.230 nan 0.000 0.451 165 E N 0.434 120.578 120.200 -0.093 0.000 2.502 165 E HA -0.163 4.187 4.350 -0.000 0.000 0.261 165 E C 0.352 176.962 176.600 0.016 0.000 0.974 165 E CA 0.479 56.878 56.400 -0.002 0.000 0.936 165 E CB 0.465 30.184 29.700 0.032 0.000 0.926 165 E HN 0.446 nan 8.360 nan 0.000 0.459 166 Y N 3.703 124.000 120.300 -0.004 0.000 2.114 166 Y HA -0.312 4.238 4.550 -0.000 0.000 0.282 166 Y C 1.886 177.800 175.900 0.023 0.000 1.165 166 Y CA 2.617 60.723 58.100 0.010 0.000 1.148 166 Y CB -0.128 38.345 38.460 0.022 0.000 0.972 166 Y HN 0.669 nan 8.280 nan 0.000 0.504 167 D N -0.539 119.864 120.400 0.005 0.000 2.149 167 D HA -0.201 4.439 4.640 -0.000 0.000 0.198 167 D C 2.079 178.317 176.300 -0.103 0.000 0.990 167 D CA 1.245 55.213 54.000 -0.053 0.000 0.839 167 D CB -0.315 40.563 40.800 0.131 0.000 0.948 167 D HN 0.353 nan 8.370 nan 0.000 0.460 168 L N 0.584 121.727 121.223 -0.134 0.000 2.056 168 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 168 L C 2.021 178.767 176.870 -0.207 0.000 1.078 168 L CA 1.669 56.349 54.840 -0.266 0.000 0.749 168 L CB -0.724 40.928 42.059 -0.679 0.000 0.901 168 L HN 0.126 nan 8.230 nan 0.000 0.433 169 Q N -1.076 118.607 119.800 -0.195 0.000 2.135 169 Q HA -0.239 4.101 4.340 -0.000 0.000 0.204 169 Q C 2.112 178.063 176.000 -0.082 0.000 0.981 169 Q CA 1.605 57.346 55.803 -0.103 0.000 0.856 169 Q CB -0.212 28.478 28.738 -0.080 0.000 0.902 169 Q HN 0.589 nan 8.270 nan 0.000 0.425 170 Q N 0.493 120.150 119.800 -0.238 0.000 2.079 170 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 170 Q C 1.900 177.797 176.000 -0.171 0.000 0.974 170 Q CA 1.227 56.887 55.803 -0.238 0.000 0.840 170 Q CB -0.212 28.319 28.738 -0.345 0.000 0.898 170 Q HN 0.358 nan 8.270 nan 0.000 0.430 171 R N 0.084 120.505 120.500 -0.131 0.000 2.285 171 R HA 0.038 4.378 4.340 -0.000 0.000 0.213 171 R C 1.760 178.003 176.300 -0.095 0.000 1.068 171 R CA 0.513 56.559 56.100 -0.091 0.000 1.004 171 R CB 0.027 30.302 30.300 -0.043 0.000 0.873 171 R HN 0.180 nan 8.270 nan 0.000 0.467 172 L N -0.308 120.856 121.223 -0.099 0.000 2.693 172 L HA 0.114 4.454 4.340 -0.000 0.000 0.235 172 L C 2.085 178.899 176.870 -0.093 0.000 1.127 172 L CA -0.022 54.771 54.840 -0.078 0.000 0.914 172 L CB 0.046 42.073 42.059 -0.054 0.000 1.193 172 L HN 0.030 nan 8.230 nan 0.000 0.502 173 K N 1.509 121.804 120.400 -0.175 0.000 2.034 173 K HA -0.257 4.062 4.320 -0.000 0.000 0.214 173 K C 2.091 178.498 176.600 -0.322 0.000 1.051 173 K CA 1.930 57.973 56.287 -0.407 0.000 0.931 173 K CB -0.079 31.997 32.500 -0.705 0.000 0.715 173 K HN 0.284 nan 8.250 nan 0.000 0.446 174 A N 1.051 123.730 122.820 -0.237 0.000 1.940 174 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 174 A C 1.903 179.417 177.584 -0.116 0.000 1.176 174 A CA 1.914 53.849 52.037 -0.170 0.000 0.631 174 A CB -0.335 18.581 19.000 -0.140 0.000 0.814 174 A HN 0.383 nan 8.150 nan 0.000 0.446 175 K N -1.097 119.244 120.400 -0.097 0.000 2.067 175 K HA 0.075 4.395 4.320 -0.000 0.000 0.203 175 K C 2.029 178.614 176.600 -0.025 0.000 1.048 175 K CA 1.185 57.437 56.287 -0.059 0.000 0.954 175 K CB -0.217 32.251 32.500 -0.053 0.000 0.737 175 K HN 0.362 nan 8.250 nan 0.000 0.444 176 M N 0.878 120.473 119.600 -0.009 0.000 2.296 176 M HA -0.068 4.412 4.480 -0.000 0.000 0.265 176 M C 1.940 178.273 176.300 0.055 0.000 1.064 176 M CA 1.324 56.646 55.300 0.037 0.000 1.109 176 M CB -0.688 31.965 32.600 0.088 0.000 1.396 176 M HN -0.018 nan 8.290 nan 0.000 0.430 177 S N 0.921 116.636 115.700 0.025 0.000 2.447 177 S HA 0.048 4.518 4.470 -0.000 0.000 0.233 177 S C 1.843 176.449 174.600 0.011 0.000 1.006 177 S CA 0.725 58.944 58.200 0.033 0.000 0.957 177 S CB -0.183 62.985 63.200 -0.053 0.000 0.773 177 S HN 0.462 nan 8.310 nan 0.000 0.507 178 L N 1.224 122.443 121.223 -0.006 0.000 2.591 178 L HA 0.164 4.504 4.340 -0.000 0.000 0.228 178 L C -0.222 176.647 176.870 -0.002 0.000 1.133 178 L CA 0.122 54.958 54.840 -0.007 0.000 0.880 178 L CB 0.001 42.050 42.059 -0.016 0.000 1.033 178 L HN 0.080 nan 8.230 nan 0.000 0.450 179 V N 1.756 121.672 119.914 0.003 0.000 2.333 179 V HA 0.252 4.372 4.120 -0.000 0.000 0.274 179 V C -0.060 176.025 176.094 -0.016 0.000 1.028 179 V CA -0.584 61.712 62.300 -0.007 0.000 0.851 179 V CB 1.104 32.923 31.823 -0.006 0.000 1.000 179 V HN 0.102 nan 8.190 nan 0.000 0.456 180 K N 6.407 126.791 120.400 -0.027 0.000 2.323 180 K HA 0.528 4.848 4.320 -0.000 0.000 0.259 180 K C -2.714 173.850 176.600 -0.061 0.000 0.947 180 K CA -1.927 54.340 56.287 -0.032 0.000 0.819 180 K CB 2.360 34.849 32.500 -0.018 0.000 1.109 180 K HN 0.349 nan 8.250 nan 0.000 0.429 181 P HA 0.232 nan 4.420 nan 0.000 0.279 181 P C -0.058 177.202 177.300 -0.067 0.000 1.239 181 P CA -0.477 62.563 63.100 -0.101 0.000 0.789 181 P CB 0.787 32.434 31.700 -0.088 0.000 0.933 182 L N 3.982 125.139 121.223 -0.110 0.000 2.473 182 L HA 0.198 4.538 4.340 -0.000 0.000 0.268 182 L C -1.903 175.051 176.870 0.141 0.000 1.215 182 L CA -1.864 52.970 54.840 -0.010 0.000 0.823 182 L CB -0.655 41.342 42.059 -0.103 0.000 1.099 182 L HN 0.234 nan 8.230 nan 0.000 0.483 183 P HA 0.066 nan 4.420 nan 0.000 0.269 183 P C -0.670 176.777 177.300 0.245 0.000 1.209 183 P CA 0.046 63.235 63.100 0.149 0.000 0.776 183 P CB 1.129 32.893 31.700 0.107 0.000 0.876 184 S N 1.618 117.420 115.700 0.170 0.000 2.806 184 S HA 0.620 5.090 4.470 -0.000 0.000 0.315 184 S C -0.670 173.955 174.600 0.042 0.000 1.127 184 S CA -0.912 57.396 58.200 0.179 0.000 0.918 184 S CB 0.479 63.806 63.200 0.210 0.000 1.240 184 S HN 0.206 nan 8.310 nan 0.000 0.552 185 I N 2.514 123.074 120.570 -0.016 0.000 2.304 185 I HA 0.295 4.464 4.170 -0.000 0.000 0.291 185 I C -1.070 174.995 176.117 -0.087 0.000 1.018 185 I CA -0.387 60.785 61.300 -0.213 0.000 1.260 185 I CB 0.810 38.501 38.000 -0.516 0.000 1.390 185 I HN 0.591 nan 8.210 nan 0.000 0.475 186 Y N 7.460 127.678 120.300 -0.137 0.000 2.345 186 Y HA 0.397 4.947 4.550 -0.000 0.000 0.331 186 Y C -1.140 174.912 175.900 0.254 0.000 0.959 186 Y CA -0.746 57.358 58.100 0.008 0.000 1.204 186 Y CB 0.792 39.285 38.460 0.054 0.000 1.135 186 Y HN 0.442 nan 8.280 nan 0.000 0.477 187 Y N 9.014 129.251 120.300 -0.105 0.000 2.721 187 Y HA 0.198 4.748 4.550 -0.000 0.000 0.328 187 Y C -1.571 174.243 175.900 -0.144 0.000 1.003 187 Y CA -2.582 55.467 58.100 -0.086 0.000 1.275 187 Y CB 0.856 39.433 38.460 0.194 0.000 1.097 187 Y HN 0.629 nan 8.280 nan 0.000 0.514 188 P HA -0.271 nan 4.420 nan 0.000 0.220 188 P C 0.372 177.685 177.300 0.022 0.000 1.155 188 P CA 1.661 64.539 63.100 -0.370 0.000 0.880 188 P CB 0.370 31.851 31.700 -0.364 0.000 0.790 189 D N -1.619 118.792 120.400 0.019 0.000 2.390 189 D HA -0.040 4.600 4.640 -0.000 0.000 0.235 189 D C 0.951 177.140 176.300 -0.184 0.000 1.040 189 D CA 0.614 54.562 54.000 -0.087 0.000 0.923 189 D CB -0.795 39.885 40.800 -0.200 0.000 0.886 189 D HN 0.324 nan 8.370 nan 0.000 0.532 190 F N -0.672 119.335 119.950 0.095 0.000 2.706 190 F HA 0.260 4.787 4.527 -0.000 0.000 0.313 190 F C 1.651 177.532 175.800 0.136 0.000 1.096 190 F CA -0.204 57.869 58.000 0.121 0.000 1.219 190 F CB 0.433 39.521 39.000 0.147 0.000 1.051 190 F HN -0.059 nan 8.300 nan 0.000 0.568 191 I N -4.638 116.103 120.570 0.286 0.000 3.295 191 I HA 0.643 4.813 4.170 -0.000 0.000 0.269 191 I C 1.128 177.351 176.117 0.177 0.000 1.032 191 I CA -0.194 61.243 61.300 0.229 0.000 1.577 191 I CB -0.671 37.488 38.000 0.266 0.000 1.927 191 I HN -0.247 nan 8.210 nan 0.000 0.361 192 A N 1.751 124.714 122.820 0.238 0.000 6.544 192 A HA 0.108 4.428 4.320 -0.000 0.000 0.333 192 A C 1.337 178.996 177.584 0.124 0.000 1.988 192 A CA 2.618 54.781 52.037 0.211 0.000 1.009 192 A CB -1.761 17.326 19.000 0.145 0.000 1.143 192 A HN 2.727 nan 8.150 nan 0.000 0.450 193 A N -2.228 120.654 122.820 0.104 0.000 4.095 193 A HA -0.356 3.964 4.320 -0.000 0.000 0.309 193 A C 1.358 178.963 177.584 0.035 0.000 2.021 193 A CA 2.526 54.595 52.037 0.054 0.000 0.834 193 A CB -2.173 16.844 19.000 0.027 0.000 1.337 193 A HN 2.363 nan 8.150 nan 0.000 0.509 194 N N 0.185 118.891 118.700 0.010 0.000 2.142 194 N HA 0.060 4.800 4.740 -0.000 0.000 0.186 194 N C 1.296 176.797 175.510 -0.014 0.000 1.023 194 N CA 1.802 54.841 53.050 -0.017 0.000 0.852 194 N CB -0.219 38.236 38.487 -0.053 0.000 0.998 194 N HN 0.722 nan 8.380 nan 0.000 0.424 195 Q N -0.050 119.753 119.800 0.005 0.000 2.280 195 Q HA 0.144 4.484 4.340 -0.000 0.000 0.202 195 Q C 0.506 176.471 176.000 -0.058 0.000 0.903 195 Q CA 0.114 55.897 55.803 -0.032 0.000 0.948 195 Q CB 0.413 29.148 28.738 -0.005 0.000 1.058 195 Q HN 0.342 nan 8.270 nan 0.000 0.493 196 D N 1.200 121.623 120.400 0.039 0.000 2.146 196 D HA -0.156 4.484 4.640 -0.000 0.000 0.209 196 D C 1.556 177.868 176.300 0.019 0.000 0.973 196 D CA 1.091 55.169 54.000 0.129 0.000 0.860 196 D CB 0.400 41.300 40.800 0.165 0.000 1.015 196 D HN 0.470 nan 8.370 nan 0.000 0.465 197 E N 0.935 121.141 120.200 0.010 0.000 2.085 197 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 197 E C 2.245 178.818 176.600 -0.044 0.000 0.994 197 E CA 0.863 57.261 56.400 -0.004 0.000 0.801 197 E CB -0.590 29.108 29.700 -0.002 0.000 0.743 197 E HN 0.127 nan 8.360 nan 0.000 0.453 198 R N 1.573 122.027 120.500 -0.076 0.000 2.241 198 R HA -0.011 4.329 4.340 -0.000 0.000 0.224 198 R C 0.488 176.699 176.300 -0.148 0.000 1.101 198 R CA 0.747 56.789 56.100 -0.098 0.000 0.995 198 R CB -0.211 30.031 30.300 -0.097 0.000 0.870 198 R HN 0.196 nan 8.270 nan 0.000 0.463 199 A N 2.041 124.718 122.820 -0.238 0.000 2.655 199 A HA 0.023 4.343 4.320 -0.000 0.000 0.297 199 A C -0.093 177.411 177.584 -0.135 0.000 1.461 199 A CA -0.090 51.754 52.037 -0.322 0.000 1.146 199 A CB -0.797 17.724 19.000 -0.798 0.000 1.108 199 A HN 0.777 nan 8.150 nan 0.000 0.550 200 N N 0.901 119.551 118.700 -0.084 0.000 2.194 200 N HA 0.067 4.807 4.740 -0.000 0.000 0.231 200 N C -0.235 175.268 175.510 -0.011 0.000 1.247 200 N CA -0.358 52.675 53.050 -0.028 0.000 0.884 200 N CB 0.344 38.818 38.487 -0.021 0.000 1.146 200 N HN 0.563 nan 8.380 nan 0.000 0.516 201 N N 0.888 119.577 118.700 -0.018 0.000 2.765 201 N HA 0.254 4.994 4.740 -0.000 0.000 0.277 201 N C -1.458 174.070 175.510 0.031 0.000 1.750 201 N CA -0.502 52.553 53.050 0.009 0.000 0.827 201 N CB 0.670 39.157 38.487 0.001 0.000 1.200 201 N HN 0.199 nan 8.380 nan 0.000 0.494 202 C N 1.148 120.476 119.300 0.047 0.000 2.493 202 C HA 0.438 4.898 4.460 -0.000 0.000 0.326 202 C C 1.966 176.988 174.990 0.053 0.000 1.200 202 C CA -0.807 58.251 59.018 0.066 0.000 1.739 202 C CB 0.665 28.476 27.740 0.119 0.000 2.300 202 C HN 0.636 nan 8.230 nan 0.000 0.500 203 I N 0.457 121.038 120.570 0.019 0.000 3.265 203 I HA 0.091 4.261 4.170 -0.000 0.000 0.282 203 I C 0.897 177.015 176.117 0.000 0.000 1.207 203 I CA 0.508 61.816 61.300 0.013 0.000 1.449 203 I CB -0.362 37.636 38.000 -0.005 0.000 1.121 203 I HN 0.712 nan 8.210 nan 0.000 0.442 204 N N 3.415 122.062 118.700 -0.088 0.000 2.819 204 N HA 0.171 4.911 4.740 -0.000 0.000 0.284 204 N C -0.767 174.801 175.510 0.096 0.000 1.196 204 N CA 0.086 53.106 53.050 -0.050 0.000 1.114 204 N CB 0.654 38.973 38.487 -0.280 0.000 1.437 204 N HN 0.230 nan 8.380 nan 0.000 0.518 205 L N 1.317 122.606 121.223 0.110 0.000 2.303 205 L HA 0.475 4.815 4.340 -0.000 0.000 0.266 205 L C 0.505 177.434 176.870 0.097 0.000 1.011 205 L CA -0.833 54.065 54.840 0.097 0.000 0.818 205 L CB 1.291 43.397 42.059 0.079 0.000 1.326 205 L HN 0.399 nan 8.230 nan 0.000 0.435 206 D N -0.763 119.683 120.400 0.076 0.000 2.539 206 D HA 0.219 4.859 4.640 -0.000 0.000 0.280 206 D C 0.500 176.832 176.300 0.053 0.000 1.208 206 D CA -0.305 53.733 54.000 0.063 0.000 1.088 206 D CB 0.545 41.375 40.800 0.049 0.000 1.149 206 D HN 0.344 nan 8.370 nan 0.000 0.596 207 E N -0.917 119.308 120.200 0.042 0.000 2.208 207 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 207 E C 1.459 178.079 176.600 0.034 0.000 0.988 207 E CA 1.020 57.442 56.400 0.036 0.000 0.828 207 E CB -0.134 29.584 29.700 0.030 0.000 0.763 207 E HN 0.404 nan 8.360 nan 0.000 0.478 208 K N -0.737 119.683 120.400 0.033 0.000 2.486 208 K HA 0.111 4.431 4.320 -0.000 0.000 0.194 208 K C 0.536 177.158 176.600 0.036 0.000 1.033 208 K CA 0.573 56.879 56.287 0.031 0.000 1.004 208 K CB 0.313 32.831 32.500 0.028 0.000 0.798 208 K HN 0.212 nan 8.250 nan 0.000 0.495 209 G N 2.188 111.013 108.800 0.042 0.000 2.248 209 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.252 209 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.252 209 G C -0.714 174.218 174.900 0.053 0.000 1.085 209 G CA -0.466 44.663 45.100 0.047 0.000 0.845 209 G HN 0.244 nan 8.290 nan 0.000 0.494 210 N N -0.934 117.801 118.700 0.058 0.000 2.265 210 N HA 0.516 5.256 4.740 -0.000 0.000 0.300 210 N C 0.251 175.809 175.510 0.080 0.000 1.148 210 N CA -0.620 52.470 53.050 0.066 0.000 0.772 210 N CB 2.191 40.711 38.487 0.054 0.000 1.434 210 N HN 0.040 nan 8.380 nan 0.000 0.481 211 V N 1.430 121.403 119.914 0.099 0.000 2.599 211 V HA 0.114 4.234 4.120 -0.000 0.000 0.300 211 V C 0.298 176.438 176.094 0.077 0.000 1.034 211 V CA 0.658 63.026 62.300 0.114 0.000 1.115 211 V CB 0.288 32.207 31.823 0.159 0.000 0.934 211 V HN 0.686 nan 8.190 nan 0.000 0.485 212 T N 2.481 117.089 114.554 0.090 0.000 2.916 212 T HA 0.318 4.668 4.350 -0.000 0.000 0.305 212 T C 0.575 175.319 174.700 0.074 0.000 1.119 212 T CA -0.065 62.074 62.100 0.065 0.000 1.008 212 T CB 1.734 70.648 68.868 0.076 0.000 1.129 212 T HN 0.795 nan 8.240 nan 0.000 0.480 213 T N -0.631 113.892 114.554 -0.051 0.000 3.163 213 T HA 0.254 4.603 4.350 -0.000 0.000 0.252 213 T C 0.481 175.103 174.700 -0.130 0.000 1.056 213 T CA -0.337 61.608 62.100 -0.258 0.000 0.947 213 T CB -0.083 68.550 68.868 -0.392 0.000 1.016 213 T HN 0.343 nan 8.240 nan 0.000 0.554 214 R N 0.672 121.166 120.500 -0.010 0.000 2.346 214 R HA 0.565 4.905 4.340 -0.000 0.000 0.311 214 R C 0.781 177.050 176.300 -0.051 0.000 0.983 214 R CA -0.106 55.976 56.100 -0.030 0.000 0.880 214 R CB 1.252 31.542 30.300 -0.017 0.000 1.100 214 R HN 0.339 nan 8.270 nan 0.000 0.453 215 G N 2.182 110.895 108.800 -0.145 0.000 2.167 215 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.194 215 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.194 215 G C 0.690 175.186 174.900 -0.673 0.000 1.027 215 G CA -0.123 44.823 45.100 -0.256 0.000 0.717 215 G HN 0.637 nan 8.290 nan 0.000 0.501 216 K N -0.883 119.251 120.400 -0.443 0.000 2.020 216 K HA -0.145 4.175 4.320 -0.000 0.000 0.212 216 K C 2.044 178.546 176.600 -0.163 0.000 1.050 216 K CA 1.658 57.763 56.287 -0.304 0.000 0.929 216 K CB -0.166 32.372 32.500 0.062 0.000 0.714 216 K HN 0.551 nan 8.250 nan 0.000 0.443 217 W N 2.192 123.393 121.300 -0.165 0.000 2.341 217 W HA -0.206 4.454 4.660 -0.000 0.000 0.283 217 W C 1.466 177.925 176.519 -0.099 0.000 1.215 217 W CA 1.529 58.816 57.345 -0.097 0.000 1.211 217 W CB -0.259 29.159 29.460 -0.070 0.000 1.131 217 W HN 0.090 nan 8.180 nan 0.000 0.552 218 T N -0.389 114.132 114.554 -0.055 0.000 2.867 218 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 218 T C 1.240 175.904 174.700 -0.061 0.000 1.057 218 T CA 1.779 63.845 62.100 -0.056 0.000 1.136 218 T CB -0.364 68.480 68.868 -0.040 0.000 0.874 218 T HN 0.364 nan 8.240 nan 0.000 0.466 219 H N 0.222 119.240 119.070 -0.087 0.000 2.357 219 H HA 0.090 4.646 4.556 -0.000 0.000 0.301 219 H C 2.348 177.500 175.328 -0.293 0.000 1.082 219 H CA 0.833 56.791 56.048 -0.149 0.000 1.342 219 H CB -0.041 29.666 29.762 -0.091 0.000 1.389 219 H HN 0.171 nan 8.280 nan 0.000 0.511 220 L N 0.734 121.798 121.223 -0.265 0.000 2.012 220 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 220 L C 2.238 178.862 176.870 -0.410 0.000 1.073 220 L CA 1.250 55.821 54.840 -0.448 0.000 0.748 220 L CB -0.052 41.581 42.059 -0.710 0.000 0.891 220 L HN 0.228 nan 8.230 nan 0.000 0.431 221 Q N -0.339 119.215 119.800 -0.409 0.000 2.124 221 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 221 Q C 2.204 178.133 176.000 -0.117 0.000 0.977 221 Q CA 1.635 57.293 55.803 -0.243 0.000 0.850 221 Q CB -0.269 28.377 28.738 -0.153 0.000 0.901 221 Q HN 0.272 nan 8.270 nan 0.000 0.429 222 R N 0.077 120.523 120.500 -0.091 0.000 2.092 222 R HA -0.033 4.307 4.340 -0.000 0.000 0.231 222 R C 1.656 177.944 176.300 -0.019 0.000 1.119 222 R CA 1.087 57.172 56.100 -0.025 0.000 0.970 222 R CB -0.464 29.838 30.300 0.003 0.000 0.864 222 R HN 0.213 nan 8.270 nan 0.000 0.440 223 I N 0.561 121.051 120.570 -0.133 0.000 2.286 223 I HA -0.141 4.029 4.170 -0.000 0.000 0.245 223 I C 2.141 178.274 176.117 0.026 0.000 1.104 223 I CA 1.244 62.466 61.300 -0.129 0.000 1.397 223 I CB -0.973 36.740 38.000 -0.478 0.000 1.072 223 I HN 0.212 nan 8.210 nan 0.000 0.417 224 R N 0.328 120.801 120.500 -0.045 0.000 2.091 224 R HA -0.150 4.189 4.340 -0.000 0.000 0.238 224 R C 2.441 178.783 176.300 0.069 0.000 1.136 224 R CA 1.238 57.343 56.100 0.008 0.000 0.959 224 R CB -0.276 29.994 30.300 -0.051 0.000 0.856 224 R HN 0.329 nan 8.270 nan 0.000 0.437 225 R N 0.416 120.950 120.500 0.057 0.000 2.073 225 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 225 R C 1.777 178.157 176.300 0.134 0.000 1.134 225 R CA 1.646 57.794 56.100 0.081 0.000 0.952 225 R CB -0.175 30.163 30.300 0.063 0.000 0.850 225 R HN 0.198 nan 8.270 nan 0.000 0.433 226 D N 0.521 121.037 120.400 0.193 0.000 2.133 226 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 226 D C 1.854 178.309 176.300 0.258 0.000 0.997 226 D CA 1.231 55.388 54.000 0.262 0.000 0.840 226 D CB -0.178 40.927 40.800 0.509 0.000 0.947 226 D HN 0.250 nan 8.370 nan 0.000 0.452 227 I N 0.764 121.516 120.570 0.303 0.000 2.179 227 I HA -0.304 3.866 4.170 -0.000 0.000 0.242 227 I C 2.470 178.727 176.117 0.233 0.000 1.088 227 I CA 1.128 62.602 61.300 0.290 0.000 1.357 227 I CB -0.277 37.887 38.000 0.274 0.000 1.051 227 I HN 0.020 nan 8.210 nan 0.000 0.409 228 Q N 0.645 120.542 119.800 0.162 0.000 2.061 228 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 228 Q C 1.927 177.987 176.000 0.100 0.000 0.984 228 Q CA 1.900 57.769 55.803 0.109 0.000 0.846 228 Q CB -0.366 28.419 28.738 0.079 0.000 0.902 228 Q HN 0.610 nan 8.270 nan 0.000 0.421 229 N N -0.129 118.641 118.700 0.117 0.000 2.244 229 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 229 N C 1.600 177.178 175.510 0.113 0.000 1.016 229 N CA 0.617 53.725 53.050 0.096 0.000 0.866 229 N CB -0.142 38.402 38.487 0.096 0.000 0.980 229 N HN 0.166 nan 8.380 nan 0.000 0.430 230 F N 2.358 122.302 119.950 -0.010 0.000 2.134 230 F HA -0.123 4.403 4.527 -0.000 0.000 0.299 230 F C 2.184 177.968 175.800 -0.027 0.000 1.097 230 F CA 1.238 59.213 58.000 -0.041 0.000 1.264 230 F CB 0.117 39.072 39.000 -0.074 0.000 1.001 230 F HN -0.154 nan 8.300 nan 0.000 0.479 231 K N 0.005 120.338 120.400 -0.112 0.000 2.002 231 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 231 K C 2.006 178.507 176.600 -0.165 0.000 1.048 231 K CA 1.799 57.966 56.287 -0.201 0.000 0.930 231 K CB -0.343 32.129 32.500 -0.045 0.000 0.714 231 K HN 0.209 nan 8.250 nan 0.000 0.438 232 E N 1.626 121.781 120.200 -0.076 0.000 2.038 232 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 232 E C 1.491 178.047 176.600 -0.073 0.000 1.000 232 E CA 1.740 58.107 56.400 -0.055 0.000 0.803 232 E CB -0.008 29.683 29.700 -0.015 0.000 0.750 232 E HN 0.275 nan 8.360 nan 0.000 0.448 233 E N -0.527 119.630 120.200 -0.072 0.000 2.338 233 E HA -0.078 4.272 4.350 -0.000 0.000 0.197 233 E C 1.028 177.562 176.600 -0.110 0.000 1.007 233 E CA 0.743 57.104 56.400 -0.065 0.000 0.849 233 E CB -0.007 29.679 29.700 -0.024 0.000 0.774 233 E HN 0.287 nan 8.360 nan 0.000 0.506 234 N N -0.411 118.167 118.700 -0.204 0.000 2.171 234 N HA 0.151 4.891 4.740 -0.000 0.000 0.212 234 N C -0.120 175.278 175.510 -0.187 0.000 1.184 234 N CA 0.631 53.541 53.050 -0.233 0.000 0.888 234 N CB 1.415 39.635 38.487 -0.444 0.000 1.038 234 N HN 0.010 nan 8.380 nan 0.000 0.517 235 A N 0.997 123.725 122.820 -0.153 0.000 2.739 235 A HA -0.194 4.126 4.320 -0.000 0.000 0.296 235 A C -0.216 177.297 177.584 -0.120 0.000 1.488 235 A CA 0.689 52.661 52.037 -0.109 0.000 0.746 235 A CB -2.290 16.665 19.000 -0.075 0.000 1.047 235 A HN 0.296 nan 8.150 nan 0.000 0.477 236 L N -1.436 119.688 121.223 -0.165 0.000 2.319 236 L HA 0.730 5.070 4.340 -0.000 0.000 0.267 236 L C 0.875 177.685 176.870 -0.101 0.000 1.011 236 L CA -0.307 54.444 54.840 -0.148 0.000 0.818 236 L CB 1.788 43.702 42.059 -0.242 0.000 1.316 236 L HN 0.505 nan 8.230 nan 0.000 0.432 237 D N -2.008 118.355 120.400 -0.062 0.000 2.502 237 D HA 0.073 4.712 4.640 -0.000 0.000 0.232 237 D C 0.012 176.301 176.300 -0.018 0.000 1.137 237 D CA -0.149 53.830 54.000 -0.035 0.000 0.827 237 D CB 0.512 41.294 40.800 -0.029 0.000 1.141 237 D HN 0.012 nan 8.370 nan 0.000 0.517 238 K N 1.346 121.734 120.400 -0.019 0.000 2.293 238 K HA 0.572 4.892 4.320 -0.000 0.000 0.267 238 K C -1.228 175.383 176.600 0.019 0.000 1.010 238 K CA -0.603 55.683 56.287 -0.002 0.000 0.875 238 K CB 2.316 34.812 32.500 -0.006 0.000 1.106 238 K HN -0.031 nan 8.250 nan 0.000 0.450 239 V N 4.935 124.880 119.914 0.052 0.000 2.841 239 V HA 0.557 4.677 4.120 -0.000 0.000 0.310 239 V C -0.360 175.779 176.094 0.074 0.000 1.090 239 V CA -0.915 61.451 62.300 0.109 0.000 0.930 239 V CB 2.516 34.468 31.823 0.214 0.000 1.014 239 V HN 0.585 nan 8.190 nan 0.000 0.425 240 I N 3.045 123.639 120.570 0.040 0.000 2.582 240 I HA 0.560 4.730 4.170 -0.000 0.000 0.292 240 I C -0.964 175.166 176.117 0.021 0.000 1.066 240 I CA -0.958 60.355 61.300 0.020 0.000 1.053 240 I CB 2.385 40.350 38.000 -0.058 0.000 1.241 240 I HN 0.253 nan 8.210 nan 0.000 0.421 241 V N 6.638 126.600 119.914 0.079 0.000 2.435 241 V HA 0.498 4.618 4.120 -0.000 0.000 0.290 241 V C -0.444 175.599 176.094 -0.086 0.000 1.030 241 V CA -0.581 61.781 62.300 0.103 0.000 0.881 241 V CB 2.035 34.061 31.823 0.338 0.000 0.983 241 V HN 0.480 nan 8.190 nan 0.000 0.445 242 L N 4.828 125.979 121.223 -0.120 0.000 2.410 242 L HA 0.557 4.897 4.340 -0.000 0.000 0.270 242 L C -1.067 175.701 176.870 -0.170 0.000 0.983 242 L CA -0.385 54.329 54.840 -0.210 0.000 0.822 242 L CB 1.774 43.742 42.059 -0.151 0.000 1.285 242 L HN 0.808 nan 8.230 nan 0.000 0.409 243 W N 5.526 126.585 121.300 -0.402 0.000 2.387 243 W HA 0.291 4.950 4.660 -0.000 0.000 0.310 243 W C -0.555 175.850 176.519 -0.191 0.000 1.181 243 W CA -0.176 56.997 57.345 -0.285 0.000 1.333 243 W CB 1.450 30.756 29.460 -0.257 0.000 1.286 243 W HN 0.613 nan 8.180 nan 0.000 0.455 244 T N 4.590 118.850 114.554 -0.490 0.000 3.633 244 T HA 0.478 4.828 4.350 -0.000 0.000 0.278 244 T C -0.294 174.116 174.700 -0.484 0.000 0.991 244 T CA -0.078 61.829 62.100 -0.321 0.000 1.036 244 T CB -0.807 67.947 68.868 -0.190 0.000 1.148 244 T HN 0.440 nan 8.240 nan 0.000 0.501 245 A N 1.304 123.567 122.820 -0.929 0.000 2.282 245 A HA 0.815 5.135 4.320 -0.000 0.000 0.324 245 A C 0.077 177.517 177.584 -0.240 0.000 1.119 245 A CA -0.836 50.764 52.037 -0.729 0.000 0.880 245 A CB 0.470 18.720 19.000 -1.249 0.000 1.294 245 A HN 0.570 nan 8.150 nan 0.000 0.493 246 N N 0.579 119.225 118.700 -0.091 0.000 2.292 246 N HA 0.146 4.886 4.740 -0.000 0.000 0.242 246 N C 0.024 175.693 175.510 0.266 0.000 1.243 246 N CA 0.895 53.995 53.050 0.083 0.000 0.851 246 N CB 0.118 38.653 38.487 0.079 0.000 1.093 246 N HN 0.581 nan 8.380 nan 0.000 0.450 247 T N 1.800 116.490 114.554 0.226 0.000 2.930 247 T HA 0.081 4.431 4.350 -0.000 0.000 0.306 247 T C 0.378 175.222 174.700 0.239 0.000 1.045 247 T CA 0.046 62.288 62.100 0.238 0.000 1.134 247 T CB 0.340 69.314 68.868 0.176 0.000 0.961 247 T HN 0.353 nan 8.240 nan 0.000 0.545 248 E N 0.949 121.271 120.200 0.203 0.000 2.232 248 E HA 0.356 4.706 4.350 -0.000 0.000 0.264 248 E C -0.201 176.565 176.600 0.275 0.000 0.973 248 E CA -0.983 55.562 56.400 0.243 0.000 0.849 248 E CB 1.290 31.088 29.700 0.163 0.000 1.198 248 E HN 0.417 nan 8.360 nan 0.000 0.407 249 R N 1.403 122.101 120.500 0.331 0.000 2.442 249 R HA 0.128 4.468 4.340 -0.000 0.000 0.291 249 R C -0.304 176.222 176.300 0.378 0.000 1.069 249 R CA -0.027 56.248 56.100 0.291 0.000 1.022 249 R CB 0.122 30.502 30.300 0.133 0.000 0.976 249 R HN 0.492 nan 8.270 nan 0.000 0.443 250 Y N 1.202 121.548 120.300 0.076 0.000 2.469 250 Y HA 0.032 4.582 4.550 -0.000 0.000 0.353 250 Y C 1.261 177.214 175.900 0.088 0.000 1.269 250 Y CA -0.697 57.439 58.100 0.060 0.000 1.504 250 Y CB 0.453 38.929 38.460 0.027 0.000 1.369 250 Y HN 0.340 nan 8.280 nan 0.000 0.654 251 V N -1.650 118.405 119.914 0.235 0.000 3.103 251 V HA 0.491 4.610 4.120 -0.000 0.000 0.318 251 V C -0.811 175.362 176.094 0.131 0.000 1.114 251 V CA -1.301 61.108 62.300 0.180 0.000 1.020 251 V CB 1.921 33.844 31.823 0.167 0.000 1.085 251 V HN 0.696 nan 8.190 nan 0.000 0.446 252 E N 0.589 120.848 120.200 0.099 0.000 2.174 252 E HA 0.395 4.745 4.350 -0.000 0.000 0.282 252 E C -0.913 175.715 176.600 0.048 0.000 0.992 252 E CA -0.576 55.867 56.400 0.072 0.000 0.803 252 E CB 2.201 31.939 29.700 0.063 0.000 1.090 252 E HN 0.662 nan 8.360 nan 0.000 0.396 253 V N 4.567 124.507 119.914 0.044 0.000 2.153 253 V HA 0.083 4.203 4.120 -0.000 0.000 0.250 253 V C -0.466 175.643 176.094 0.024 0.000 1.334 253 V CA -0.128 62.189 62.300 0.028 0.000 1.249 253 V CB -0.510 31.336 31.823 0.039 0.000 1.371 253 V HN 0.627 nan 8.190 nan 0.000 0.498 254 S N 7.455 123.164 115.700 0.015 0.000 2.541 254 S HA 0.645 5.115 4.470 -0.000 0.000 0.283 254 S C -2.591 172.018 174.600 0.014 0.000 1.196 254 S CA -1.616 56.597 58.200 0.022 0.000 1.062 254 S CB 1.488 64.711 63.200 0.039 0.000 1.009 254 S HN 0.639 nan 8.310 nan 0.000 0.502 255 P HA 0.222 nan 4.420 nan 0.000 0.265 255 P C 1.052 178.364 177.300 0.020 0.000 1.193 255 P CA 0.998 64.109 63.100 0.018 0.000 0.765 255 P CB 0.424 32.136 31.700 0.020 0.000 0.823 256 G N 1.528 110.336 108.800 0.014 0.000 2.241 256 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 256 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 256 G C 0.609 175.519 174.900 0.017 0.000 0.998 256 G CA 0.265 45.377 45.100 0.018 0.000 0.621 256 G HN 0.413 nan 8.290 nan 0.000 0.519 257 V N 1.069 120.979 119.914 -0.007 0.000 2.695 257 V HA 0.191 4.311 4.120 -0.000 0.000 0.230 257 V C 1.637 177.668 176.094 -0.104 0.000 1.110 257 V CA 2.106 64.358 62.300 -0.080 0.000 1.159 257 V CB -0.061 31.649 31.823 -0.188 0.000 0.875 257 V HN 0.640 nan 8.190 nan 0.000 0.502 258 N N 0.033 118.679 118.700 -0.090 0.000 2.299 258 N HA 0.024 4.764 4.740 -0.000 0.000 0.246 258 N C 0.385 175.885 175.510 -0.016 0.000 1.254 258 N CA 0.347 53.362 53.050 -0.057 0.000 0.879 258 N CB -0.177 38.267 38.487 -0.072 0.000 1.214 258 N HN 0.497 nan 8.380 nan 0.000 0.510 259 D N -0.541 119.855 120.400 -0.007 0.000 2.289 259 D HA -0.034 4.606 4.640 -0.000 0.000 0.207 259 D C 0.371 176.678 176.300 0.013 0.000 0.966 259 D CA 0.836 54.841 54.000 0.009 0.000 0.868 259 D CB -0.361 40.447 40.800 0.012 0.000 0.943 259 D HN 0.318 nan 8.370 nan 0.000 0.514 260 T N -3.433 111.124 114.554 0.006 0.000 2.901 260 T HA 0.459 4.809 4.350 -0.000 0.000 0.293 260 T C 1.277 175.979 174.700 0.003 0.000 1.084 260 T CA -0.715 61.388 62.100 0.004 0.000 1.008 260 T CB 1.726 70.592 68.868 -0.003 0.000 1.170 260 T HN 0.019 nan 8.240 nan 0.000 0.509 261 M N 0.036 119.634 119.600 -0.002 0.000 2.175 261 M HA 0.083 4.563 4.480 -0.000 0.000 0.264 261 M C 1.526 177.831 176.300 0.008 0.000 1.063 261 M CA 1.563 56.866 55.300 0.005 0.000 1.119 261 M CB -0.915 31.680 32.600 -0.007 0.000 1.377 261 M HN 0.601 nan 8.290 nan 0.000 0.415 262 E N 1.760 121.951 120.200 -0.014 0.000 2.051 262 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 262 E C 1.692 178.289 176.600 -0.005 0.000 0.991 262 E CA 2.076 58.467 56.400 -0.016 0.000 0.799 262 E CB -0.529 29.152 29.700 -0.032 0.000 0.748 262 E HN 0.708 nan 8.360 nan 0.000 0.449 263 N N -0.011 118.687 118.700 -0.003 0.000 2.106 263 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 263 N C 1.743 177.259 175.510 0.010 0.000 1.029 263 N CA 0.637 53.687 53.050 0.001 0.000 0.848 263 N CB -0.128 38.358 38.487 -0.002 0.000 1.007 263 N HN 0.008 nan 8.380 nan 0.000 0.423 264 L N 1.813 123.044 121.223 0.013 0.000 1.971 264 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 264 L C 1.924 178.840 176.870 0.077 0.000 1.072 264 L CA 1.601 56.455 54.840 0.024 0.000 0.758 264 L CB -0.716 41.358 42.059 0.024 0.000 0.889 264 L HN 0.199 nan 8.230 nan 0.000 0.433 265 L N -1.011 120.280 121.223 0.113 0.000 2.079 265 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 265 L C 2.638 179.589 176.870 0.134 0.000 1.081 265 L CA 1.495 56.477 54.840 0.237 0.000 0.752 265 L CB -0.679 41.520 42.059 0.233 0.000 0.896 265 L HN 0.437 nan 8.230 nan 0.000 0.433 266 Q N 0.019 119.836 119.800 0.028 0.000 2.123 266 Q HA -0.120 4.220 4.340 -0.000 0.000 0.199 266 Q C 2.303 178.324 176.000 0.035 0.000 0.966 266 Q CA 1.868 57.656 55.803 -0.025 0.000 0.845 266 Q CB -0.092 28.627 28.738 -0.031 0.000 0.907 266 Q HN 0.337 nan 8.270 nan 0.000 0.439 267 S N -0.017 115.725 115.700 0.071 0.000 2.382 267 S HA -0.088 4.382 4.470 -0.000 0.000 0.228 267 S C 1.811 176.507 174.600 0.161 0.000 1.027 267 S CA 1.225 59.499 58.200 0.123 0.000 0.991 267 S CB -0.287 62.933 63.200 0.032 0.000 0.823 267 S HN 0.411 nan 8.310 nan 0.000 0.469 268 I N 1.386 122.060 120.570 0.173 0.000 2.315 268 I HA -0.187 3.982 4.170 -0.000 0.000 0.248 268 I C 2.258 178.518 176.117 0.238 0.000 1.117 268 I CA 1.147 62.582 61.300 0.226 0.000 1.404 268 I CB -0.271 37.915 38.000 0.310 0.000 1.071 268 I HN 0.219 nan 8.210 nan 0.000 0.419 269 K N 0.807 121.325 120.400 0.197 0.000 2.148 269 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 269 K C 1.380 177.995 176.600 0.025 0.000 1.050 269 K CA 1.308 57.632 56.287 0.061 0.000 0.942 269 K CB -0.333 32.046 32.500 -0.202 0.000 0.724 269 K HN 0.470 nan 8.250 nan 0.000 0.446 270 N N 0.979 119.703 118.700 0.040 0.000 2.461 270 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 270 N C -0.713 174.813 175.510 0.027 0.000 1.134 270 N CA -0.018 53.047 53.050 0.024 0.000 0.878 270 N CB 0.256 38.769 38.487 0.043 0.000 0.972 270 N HN 0.042 nan 8.380 nan 0.000 0.456 271 D N 0.144 120.576 120.400 0.054 0.000 2.870 271 D HA -0.210 4.430 4.640 -0.000 0.000 0.228 271 D C -0.029 176.300 176.300 0.049 0.000 1.147 271 D CA 0.827 54.843 54.000 0.026 0.000 0.757 271 D CB -1.703 39.079 40.800 -0.030 0.000 1.091 271 D HN 0.454 nan 8.370 nan 0.000 0.429 272 H N 0.940 120.022 119.070 0.020 0.000 3.058 272 H HA -0.029 4.527 4.556 -0.000 0.000 0.347 272 H C 1.546 176.903 175.328 0.049 0.000 1.087 272 H CA 1.731 57.797 56.048 0.030 0.000 1.375 272 H CB 0.779 30.569 29.762 0.046 0.000 1.312 272 H HN 0.453 nan 8.280 nan 0.000 0.607 273 E N 1.955 122.308 120.200 0.254 0.000 2.442 273 E HA -0.038 4.312 4.350 -0.000 0.000 0.195 273 E C 0.430 177.292 176.600 0.438 0.000 1.030 273 E CA 0.298 56.851 56.400 0.255 0.000 0.869 273 E CB 0.291 30.025 29.700 0.056 0.000 0.857 273 E HN 0.437 nan 8.360 nan 0.000 0.505 274 E N 0.830 121.390 120.200 0.600 0.000 2.445 274 E HA 0.096 4.446 4.350 -0.000 0.000 0.189 274 E C -0.082 176.635 176.600 0.195 0.000 1.069 274 E CA 0.017 56.576 56.400 0.265 0.000 0.871 274 E CB 0.369 30.052 29.700 -0.030 0.000 0.991 274 E HN 0.322 nan 8.360 nan 0.000 0.481 275 I N 1.714 122.442 120.570 0.263 0.000 2.307 275 I HA 0.263 4.432 4.170 -0.000 0.000 0.287 275 I C 0.550 176.739 176.117 0.121 0.000 1.054 275 I CA -0.871 60.520 61.300 0.153 0.000 1.218 275 I CB 0.202 38.303 38.000 0.167 0.000 1.398 275 I HN -0.203 nan 8.210 nan 0.000 0.475 276 A N 8.888 131.601 122.820 -0.177 0.000 2.272 276 A HA 0.595 4.915 4.320 -0.000 0.000 0.275 276 A C -1.517 175.764 177.584 -0.505 0.000 1.096 276 A CA -1.117 50.446 52.037 -0.790 0.000 0.822 276 A CB 0.069 18.575 19.000 -0.823 0.000 1.088 276 A HN 0.456 nan 8.150 nan 0.000 0.495 277 P HA -0.160 nan 4.420 nan 0.000 0.216 277 P C 1.734 178.970 177.300 -0.106 0.000 1.150 277 P CA 2.201 65.025 63.100 -0.459 0.000 0.837 277 P CB 0.028 31.548 31.700 -0.300 0.000 0.786 278 S N -1.847 113.693 115.700 -0.267 0.000 2.399 278 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 278 S C 1.840 176.252 174.600 -0.313 0.000 1.022 278 S CA 1.859 59.807 58.200 -0.419 0.000 0.983 278 S CB -1.965 60.528 63.200 -1.179 0.000 0.803 278 S HN 0.111 nan 8.310 nan 0.000 0.480 279 T N 2.770 117.140 114.554 -0.306 0.000 2.746 279 T HA 0.108 4.458 4.350 -0.000 0.000 0.267 279 T C 1.730 176.301 174.700 -0.215 0.000 1.039 279 T CA 1.465 63.426 62.100 -0.232 0.000 1.142 279 T CB -0.457 68.318 68.868 -0.156 0.000 0.866 279 T HN 0.403 nan 8.240 nan 0.000 0.444 280 I N -0.128 120.307 120.570 -0.226 0.000 2.252 280 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 280 I C 2.003 177.901 176.117 -0.365 0.000 1.102 280 I CA 1.371 62.495 61.300 -0.293 0.000 1.385 280 I CB -0.331 37.464 38.000 -0.342 0.000 1.064 280 I HN 0.167 nan 8.210 nan 0.000 0.414 281 F N 0.828 120.607 119.950 -0.285 0.000 2.186 281 F HA -0.197 4.330 4.527 -0.000 0.000 0.299 281 F C 2.605 178.179 175.800 -0.377 0.000 1.090 281 F CA 1.314 59.151 58.000 -0.272 0.000 1.307 281 F CB -0.520 38.435 39.000 -0.074 0.000 1.019 281 F HN 0.003 nan 8.300 nan 0.000 0.489 282 A N 0.150 122.666 122.820 -0.506 0.000 1.858 282 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 282 A C 2.410 179.777 177.584 -0.362 0.000 1.190 282 A CA 1.819 53.297 52.037 -0.933 0.000 0.617 282 A CB -1.404 17.137 19.000 -0.766 0.000 0.827 282 A HN 0.308 nan 8.150 nan 0.000 0.443 283 A N -0.064 122.608 122.820 -0.245 0.000 1.873 283 A HA 0.054 4.374 4.320 -0.000 0.000 0.218 283 A C 2.531 180.030 177.584 -0.143 0.000 1.193 283 A CA 2.584 54.527 52.037 -0.156 0.000 0.629 283 A CB -1.202 17.708 19.000 -0.151 0.000 0.826 283 A HN 1.220 nan 8.150 nan 0.000 0.447 284 A N -0.975 121.735 122.820 -0.184 0.000 1.978 284 A HA -0.052 4.268 4.320 -0.000 0.000 0.220 284 A C 2.408 179.970 177.584 -0.037 0.000 1.170 284 A CA 2.112 54.060 52.037 -0.148 0.000 0.636 284 A CB -0.663 18.211 19.000 -0.209 0.000 0.810 284 A HN 0.467 nan 8.150 nan 0.000 0.448 285 S N -0.508 115.194 115.700 0.004 0.000 2.377 285 S HA 0.022 4.492 4.470 -0.000 0.000 0.223 285 S C 1.797 176.439 174.600 0.070 0.000 1.030 285 S CA 1.006 59.272 58.200 0.109 0.000 0.970 285 S CB -0.367 62.984 63.200 0.251 0.000 0.830 285 S HN 0.547 nan 8.310 nan 0.000 0.473 286 I N 1.165 121.746 120.570 0.019 0.000 2.179 286 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 286 I C 1.957 178.078 176.117 0.008 0.000 1.088 286 I CA 0.910 62.217 61.300 0.013 0.000 1.357 286 I CB -0.257 37.735 38.000 -0.013 0.000 1.051 286 I HN 0.224 nan 8.210 nan 0.000 0.409 287 L N 0.260 121.481 121.223 -0.003 0.000 2.083 287 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 287 L C 2.322 179.197 176.870 0.010 0.000 1.083 287 L CA 1.743 56.584 54.840 0.002 0.000 0.752 287 L CB -0.835 41.211 42.059 -0.023 0.000 0.899 287 L HN 0.193 nan 8.230 nan 0.000 0.433 288 E N -0.404 119.808 120.200 0.021 0.000 2.511 288 E HA 0.044 4.394 4.350 -0.000 0.000 0.196 288 E C 1.550 178.169 176.600 0.032 0.000 1.066 288 E CA 0.721 57.143 56.400 0.038 0.000 0.871 288 E CB -0.232 29.511 29.700 0.072 0.000 0.863 288 E HN 0.472 nan 8.360 nan 0.000 0.520 289 G N 1.315 110.127 108.800 0.020 0.000 2.153 289 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 289 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 289 G C 0.531 175.434 174.900 0.005 0.000 0.994 289 G CA 0.616 45.714 45.100 -0.003 0.000 0.698 289 G HN 0.285 nan 8.290 nan 0.000 0.521 290 V N -2.634 117.313 119.914 0.054 0.000 2.617 290 V HA 0.838 4.958 4.120 -0.000 0.000 0.298 290 V C -1.851 174.316 176.094 0.121 0.000 1.048 290 V CA -2.914 59.434 62.300 0.079 0.000 0.964 290 V CB 1.775 33.673 31.823 0.124 0.000 1.004 290 V HN 0.019 nan 8.190 nan 0.000 0.466 291 P HA 0.213 nan 4.420 nan 0.000 0.268 291 P C -1.527 175.924 177.300 0.252 0.000 1.204 291 P CA 0.427 63.646 63.100 0.199 0.000 0.768 291 P CB 0.024 31.851 31.700 0.212 0.000 0.842 292 Y N 3.812 124.208 120.300 0.160 0.000 2.350 292 Y HA 0.591 5.141 4.550 -0.000 0.000 0.338 292 Y C -0.913 175.145 175.900 0.264 0.000 0.961 292 Y CA -0.768 57.455 58.100 0.204 0.000 1.100 292 Y CB 0.957 39.562 38.460 0.241 0.000 1.179 292 Y HN 0.199 nan 8.280 nan 0.000 0.454 293 I N 5.605 126.004 120.570 -0.286 0.000 2.406 293 I HA 0.265 4.435 4.170 -0.000 0.000 0.290 293 I C -0.818 175.117 176.117 -0.303 0.000 0.999 293 I CA -0.916 60.311 61.300 -0.122 0.000 1.124 293 I CB 1.643 39.601 38.000 -0.069 0.000 1.289 293 I HN 0.583 nan 8.210 nan 0.000 0.441 294 N N 4.444 123.109 118.700 -0.059 0.000 2.500 294 N HA 0.266 5.006 4.740 -0.000 0.000 0.236 294 N C 0.751 176.258 175.510 -0.004 0.000 1.022 294 N CA -0.258 52.722 53.050 -0.116 0.000 0.935 294 N CB 1.429 39.721 38.487 -0.326 0.000 1.147 294 N HN 0.760 nan 8.380 nan 0.000 0.512 295 G N 1.286 110.139 108.800 0.087 0.000 3.088 295 G HA2 0.023 3.983 3.960 -0.000 0.000 0.212 295 G HA3 0.023 3.983 3.960 -0.000 0.000 0.212 295 G C 0.086 175.066 174.900 0.133 0.000 1.173 295 G CA -0.043 45.115 45.100 0.097 0.000 0.779 295 G HN 0.487 nan 8.290 nan 0.000 0.540 296 S N -0.019 115.770 115.700 0.148 0.000 2.704 296 S HA 0.478 4.948 4.470 -0.000 0.000 0.305 296 S C -1.544 173.039 174.600 -0.029 0.000 1.107 296 S CA -1.061 57.206 58.200 0.112 0.000 0.993 296 S CB 2.686 66.023 63.200 0.228 0.000 1.110 296 S HN -0.020 nan 8.310 nan 0.000 0.534 297 P HA -0.024 nan 4.420 nan 0.000 0.227 297 P C -0.404 176.712 177.300 -0.307 0.000 1.161 297 P CA 0.494 63.561 63.100 -0.056 0.000 0.788 297 P CB -0.032 31.716 31.700 0.079 0.000 0.822 298 Q N 1.977 121.513 119.800 -0.441 0.000 2.428 298 Q HA 0.050 4.390 4.340 -0.000 0.000 0.276 298 Q C 0.736 176.286 176.000 -0.750 0.000 1.059 298 Q CA -0.074 55.197 55.803 -0.886 0.000 0.923 298 Q CB -0.845 27.585 28.738 -0.514 0.000 1.283 298 Q HN 0.110 nan 8.270 nan 0.000 0.447 299 N N 1.347 119.557 118.700 -0.815 0.000 3.103 299 N HA -0.031 4.709 4.740 -0.000 0.000 0.305 299 N C -0.429 174.889 175.510 -0.320 0.000 1.232 299 N CA 0.099 52.907 53.050 -0.402 0.000 1.190 299 N CB 0.188 38.556 38.487 -0.198 0.000 1.461 299 N HN 0.573 nan 8.380 nan 0.000 0.538 300 T N 0.416 114.695 114.554 -0.459 0.000 2.701 300 T HA -0.003 4.347 4.350 -0.000 0.000 0.263 300 T C 0.473 175.005 174.700 -0.280 0.000 1.040 300 T CA 0.876 62.679 62.100 -0.495 0.000 1.147 300 T CB -0.318 68.078 68.868 -0.785 0.000 0.865 300 T HN 0.509 nan 8.240 nan 0.000 0.426 301 F N 3.795 123.688 119.950 -0.096 0.000 2.626 301 F HA 0.199 4.726 4.527 -0.000 0.000 0.374 301 F C 0.967 176.747 175.800 -0.034 0.000 1.184 301 F CA -1.196 56.772 58.000 -0.053 0.000 1.339 301 F CB -0.844 38.151 39.000 -0.008 0.000 1.730 301 F HN -0.011 nan 8.300 nan 0.000 0.650 302 V N -0.031 119.948 119.914 0.108 0.000 3.139 302 V HA -0.009 4.111 4.120 -0.000 0.000 0.307 302 V C -1.070 175.072 176.094 0.080 0.000 1.095 302 V CA -1.412 60.929 62.300 0.068 0.000 1.160 302 V CB 0.297 32.134 31.823 0.023 0.000 1.003 302 V HN 0.164 nan 8.190 nan 0.000 0.489 303 P HA -0.168 nan 4.420 nan 0.000 0.217 303 P C 1.563 178.891 177.300 0.047 0.000 1.151 303 P CA 2.358 65.495 63.100 0.062 0.000 0.849 303 P CB -0.226 31.507 31.700 0.055 0.000 0.787 304 G N 0.153 108.973 108.800 0.034 0.000 2.418 304 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.217 304 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.217 304 G C 1.749 176.665 174.900 0.027 0.000 1.158 304 G CA 0.386 45.500 45.100 0.023 0.000 0.771 304 G HN 0.235 nan 8.290 nan 0.000 0.545 305 L N 0.188 121.433 121.223 0.037 0.000 2.027 305 L HA -0.074 4.265 4.340 -0.000 0.000 0.206 305 L C 3.033 179.907 176.870 0.006 0.000 1.074 305 L CA 0.610 55.472 54.840 0.037 0.000 0.745 305 L CB -0.388 41.729 42.059 0.097 0.000 0.898 305 L HN 0.097 nan 8.230 nan 0.000 0.433 306 V N -0.443 119.477 119.914 0.010 0.000 2.469 306 V HA -0.344 3.776 4.120 -0.000 0.000 0.251 306 V C 2.378 178.462 176.094 -0.016 0.000 1.064 306 V CA 1.784 64.059 62.300 -0.042 0.000 1.066 306 V CB -0.556 31.275 31.823 0.012 0.000 0.667 306 V HN 0.527 nan 8.190 nan 0.000 0.461 307 Q N -0.545 119.268 119.800 0.021 0.000 2.016 307 Q HA -0.215 4.125 4.340 -0.000 0.000 0.200 307 Q C 2.285 178.311 176.000 0.043 0.000 0.978 307 Q CA 1.843 57.667 55.803 0.036 0.000 0.833 307 Q CB -0.205 28.552 28.738 0.031 0.000 0.895 307 Q HN 0.547 nan 8.270 nan 0.000 0.427 308 L N 0.475 121.720 121.223 0.037 0.000 2.127 308 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 308 L C 2.041 178.949 176.870 0.064 0.000 1.089 308 L CA 2.137 57.018 54.840 0.067 0.000 0.757 308 L CB -0.530 41.556 42.059 0.045 0.000 0.899 308 L HN 0.259 nan 8.230 nan 0.000 0.434 309 A N -1.255 121.563 122.820 -0.004 0.000 2.016 309 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 309 A C 2.109 179.658 177.584 -0.059 0.000 1.162 309 A CA 1.257 53.267 52.037 -0.046 0.000 0.662 309 A CB -0.388 18.541 19.000 -0.119 0.000 0.812 309 A HN 0.593 nan 8.150 nan 0.000 0.450 310 E N -1.231 118.936 120.200 -0.054 0.000 2.051 310 E HA -0.166 4.184 4.350 -0.000 0.000 0.189 310 E C 1.937 178.552 176.600 0.025 0.000 0.979 310 E CA 1.150 57.509 56.400 -0.067 0.000 0.803 310 E CB -0.315 29.363 29.700 -0.035 0.000 0.761 310 E HN 0.819 nan 8.360 nan 0.000 0.451 311 H N 1.498 120.556 119.070 -0.020 0.000 2.319 311 H HA -0.101 4.455 4.556 -0.000 0.000 0.299 311 H C 1.715 177.039 175.328 -0.007 0.000 1.092 311 H CA 1.682 57.729 56.048 -0.002 0.000 1.302 311 H CB 0.187 29.952 29.762 0.006 0.000 1.373 311 H HN -0.000 nan 8.280 nan 0.000 0.497 312 E N 0.017 120.157 120.200 -0.100 0.000 2.427 312 E HA 0.060 4.410 4.350 -0.000 0.000 0.196 312 E C 0.977 177.507 176.600 -0.117 0.000 1.028 312 E CA 0.713 57.020 56.400 -0.154 0.000 0.864 312 E CB -0.332 29.339 29.700 -0.049 0.000 0.813 312 E HN 0.673 nan 8.360 nan 0.000 0.514 313 G N 2.788 111.538 108.800 -0.083 0.000 2.359 313 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.298 313 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.298 313 G C 0.200 175.055 174.900 -0.074 0.000 1.030 313 G CA 0.927 45.989 45.100 -0.063 0.000 1.149 313 G HN 0.291 nan 8.290 nan 0.000 0.512 314 T N -1.913 112.613 114.554 -0.047 0.000 2.893 314 T HA 0.670 5.020 4.350 -0.000 0.000 0.293 314 T C 0.147 174.913 174.700 0.111 0.000 1.027 314 T CA -1.070 60.999 62.100 -0.053 0.000 0.988 314 T CB 1.631 70.477 68.868 -0.037 0.000 1.043 314 T HN 0.335 nan 8.240 nan 0.000 0.461 315 F N 2.489 122.435 119.950 -0.007 0.000 2.578 315 F HA 0.364 4.891 4.527 -0.000 0.000 0.381 315 F C 0.813 176.597 175.800 -0.026 0.000 1.069 315 F CA -0.900 57.091 58.000 -0.016 0.000 1.231 315 F CB 0.393 39.407 39.000 0.024 0.000 1.086 315 F HN 0.515 nan 8.300 nan 0.000 0.564 316 I N 1.442 122.048 120.570 0.061 0.000 2.647 316 I HA 0.947 5.117 4.170 -0.000 0.000 0.295 316 I C -0.989 175.053 176.117 -0.125 0.000 1.078 316 I CA -0.778 60.445 61.300 -0.127 0.000 1.048 316 I CB 2.144 39.754 38.000 -0.650 0.000 1.239 316 I HN 0.544 nan 8.210 nan 0.000 0.421 317 A N 3.374 126.256 122.820 0.104 0.000 2.612 317 A HA 1.026 5.346 4.320 -0.000 0.000 0.293 317 A C -0.327 177.507 177.584 0.416 0.000 1.075 317 A CA -0.051 52.095 52.037 0.183 0.000 0.680 317 A CB 1.347 20.403 19.000 0.092 0.000 1.279 317 A HN 1.890 nan 8.150 nan 0.000 0.411 318 G N -0.347 108.648 108.800 0.325 0.000 2.332 318 G HA2 0.527 4.486 3.960 -0.000 0.000 0.265 318 G HA3 0.527 4.486 3.960 -0.000 0.000 0.265 318 G C -1.454 173.540 174.900 0.157 0.000 1.329 318 G CA 0.608 45.854 45.100 0.244 0.000 0.949 318 G HN 1.796 nan 8.290 nan 0.000 0.476 319 D N 0.360 120.788 120.400 0.046 0.000 3.625 319 D HA 0.261 4.900 4.640 -0.000 0.000 0.217 319 D C -0.498 175.817 176.300 0.024 0.000 1.064 319 D CA 1.771 55.764 54.000 -0.011 0.000 0.989 319 D CB -0.780 40.029 40.800 0.015 0.000 0.789 319 D HN 1.080 nan 8.370 nan 0.000 0.376 320 D N 0.585 120.998 120.400 0.021 0.000 7.547 320 D HA -0.184 4.456 4.640 -0.000 0.000 0.255 320 D C -0.276 176.067 176.300 0.072 0.000 2.090 320 D CA 0.336 54.366 54.000 0.050 0.000 1.914 320 D CB 0.187 41.014 40.800 0.047 0.000 0.809 320 D HN 0.438 nan 8.370 nan 0.000 0.513 321 L N 3.274 124.544 121.223 0.078 0.000 2.513 321 L HA 0.020 4.360 4.340 -0.000 0.000 0.272 321 L C 1.479 178.399 176.870 0.083 0.000 1.187 321 L CA 0.429 55.326 54.840 0.094 0.000 0.895 321 L CB 0.242 42.348 42.059 0.079 0.000 1.147 321 L HN 0.216 nan 8.230 nan 0.000 0.483 322 K N 3.563 124.018 120.400 0.092 0.000 2.363 322 K HA 0.103 4.423 4.320 -0.000 0.000 0.289 322 K C 0.370 176.995 176.600 0.041 0.000 1.063 322 K CA -0.366 55.947 56.287 0.043 0.000 0.967 322 K CB 0.570 33.065 32.500 -0.008 0.000 0.987 322 K HN 0.743 nan 8.250 nan 0.000 0.473 323 S N 2.922 118.641 115.700 0.032 0.000 2.608 323 S HA 0.131 4.601 4.470 -0.000 0.000 0.261 323 S C 1.460 176.070 174.600 0.017 0.000 1.314 323 S CA -0.356 57.862 58.200 0.031 0.000 0.992 323 S CB 1.329 64.545 63.200 0.027 0.000 0.935 323 S HN 0.708 nan 8.310 nan 0.000 0.564 324 G N 0.446 109.260 108.800 0.022 0.000 2.459 324 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 324 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 324 G C 1.337 176.242 174.900 0.009 0.000 1.183 324 G CA 1.142 46.252 45.100 0.016 0.000 0.776 324 G HN 0.722 nan 8.290 nan 0.000 0.552 325 Q N 0.178 119.986 119.800 0.014 0.000 2.152 325 Q HA -0.085 4.255 4.340 -0.000 0.000 0.206 325 Q C 2.575 178.598 176.000 0.039 0.000 0.985 325 Q CA 2.131 57.949 55.803 0.025 0.000 0.863 325 Q CB -0.776 27.972 28.738 0.017 0.000 0.904 325 Q HN 0.424 nan 8.270 nan 0.000 0.422 326 T N 0.065 114.635 114.554 0.027 0.000 2.915 326 T HA -0.059 4.291 4.350 -0.000 0.000 0.269 326 T C 1.383 176.085 174.700 0.003 0.000 1.071 326 T CA 1.224 63.342 62.100 0.030 0.000 1.132 326 T CB -0.022 68.856 68.868 0.016 0.000 0.878 326 T HN 0.315 nan 8.240 nan 0.000 0.479 327 K N 0.414 120.796 120.400 -0.029 0.000 2.044 327 K HA 0.110 4.429 4.320 -0.000 0.000 0.204 327 K C 2.103 178.682 176.600 -0.034 0.000 1.049 327 K CA 0.527 56.768 56.287 -0.077 0.000 0.945 327 K CB -0.152 32.279 32.500 -0.115 0.000 0.724 327 K HN 0.125 nan 8.250 nan 0.000 0.440 328 L N 2.099 123.320 121.223 -0.002 0.000 1.989 328 L HA -0.204 4.135 4.340 -0.000 0.000 0.211 328 L C 2.049 178.940 176.870 0.035 0.000 1.071 328 L CA 1.850 56.698 54.840 0.013 0.000 0.749 328 L CB -0.922 41.157 42.059 0.033 0.000 0.890 328 L HN 0.161 nan 8.230 nan 0.000 0.431 329 K N -0.735 119.720 120.400 0.091 0.000 2.059 329 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 329 K C 2.330 178.980 176.600 0.083 0.000 1.050 329 K CA 1.867 58.256 56.287 0.169 0.000 0.927 329 K CB -0.321 32.319 32.500 0.234 0.000 0.714 329 K HN 0.232 nan 8.250 nan 0.000 0.447 330 S N 0.590 116.317 115.700 0.045 0.000 2.351 330 S HA -0.145 4.325 4.470 -0.000 0.000 0.220 330 S C 2.053 176.654 174.600 0.002 0.000 1.035 330 S CA 1.556 59.765 58.200 0.015 0.000 1.031 330 S CB -0.316 62.871 63.200 -0.022 0.000 0.928 330 S HN 0.116 nan 8.310 nan 0.000 0.433 331 V N 2.831 122.740 119.914 -0.009 0.000 2.392 331 V HA -0.127 3.993 4.120 -0.000 0.000 0.249 331 V C 2.494 178.598 176.094 0.017 0.000 1.059 331 V CA 1.800 64.100 62.300 0.002 0.000 1.051 331 V CB -0.849 30.965 31.823 -0.015 0.000 0.658 331 V HN 0.525 nan 8.190 nan 0.000 0.455 332 L N 0.755 121.961 121.223 -0.028 0.000 1.961 332 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 332 L C 2.623 179.452 176.870 -0.069 0.000 1.072 332 L CA 2.784 57.577 54.840 -0.080 0.000 0.749 332 L CB -1.409 40.512 42.059 -0.229 0.000 0.889 332 L HN 0.327 nan 8.230 nan 0.000 0.432 333 A N -0.516 122.214 122.820 -0.150 0.000 1.917 333 A HA -0.328 3.992 4.320 -0.000 0.000 0.219 333 A C 2.136 179.707 177.584 -0.022 0.000 1.182 333 A CA 2.122 54.097 52.037 -0.102 0.000 0.633 333 A CB -0.727 18.260 19.000 -0.022 0.000 0.819 333 A HN 0.646 nan 8.150 nan 0.000 0.448 334 Q N -1.107 118.700 119.800 0.012 0.000 2.096 334 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 334 Q C 1.712 177.733 176.000 0.035 0.000 0.982 334 Q CA 2.176 57.994 55.803 0.025 0.000 0.850 334 Q CB -0.628 28.132 28.738 0.037 0.000 0.901 334 Q HN 0.668 nan 8.270 nan 0.000 0.422 335 F N 0.067 119.982 119.950 -0.058 0.000 2.065 335 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 335 F C 1.583 177.354 175.800 -0.049 0.000 1.112 335 F CA 1.683 59.652 58.000 -0.052 0.000 1.212 335 F CB -0.513 38.446 39.000 -0.068 0.000 0.975 335 F HN 0.133 nan 8.300 nan 0.000 0.476 336 L N 0.208 121.235 121.223 -0.327 0.000 2.012 336 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 336 L C 2.647 179.356 176.870 -0.268 0.000 1.073 336 L CA 1.713 56.322 54.840 -0.386 0.000 0.748 336 L CB -1.195 40.782 42.059 -0.137 0.000 0.891 336 L HN 0.300 nan 8.230 nan 0.000 0.431 337 V N -3.237 116.600 119.914 -0.129 0.000 2.407 337 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 337 V C 1.735 177.772 176.094 -0.096 0.000 1.055 337 V CA 1.906 64.173 62.300 -0.056 0.000 1.049 337 V CB -0.755 31.079 31.823 0.019 0.000 0.662 337 V HN 0.319 nan 8.190 nan 0.000 0.455 338 D N 1.126 121.448 120.400 -0.130 0.000 2.348 338 D HA 0.129 4.769 4.640 -0.000 0.000 0.216 338 D C 1.828 178.027 176.300 -0.168 0.000 0.970 338 D CA 1.402 55.333 54.000 -0.115 0.000 0.889 338 D CB 0.107 40.860 40.800 -0.078 0.000 0.912 338 D HN 0.644 nan 8.370 nan 0.000 0.524 339 A N -0.758 121.897 122.820 -0.274 0.000 2.348 339 A HA 0.499 4.819 4.320 -0.000 0.000 0.224 339 A C 1.686 179.157 177.584 -0.188 0.000 1.227 339 A CA 0.670 52.538 52.037 -0.283 0.000 0.885 339 A CB 0.160 18.851 19.000 -0.516 0.000 0.933 339 A HN 0.160 nan 8.150 nan 0.000 0.506 340 G N -0.562 108.148 108.800 -0.151 0.000 2.141 340 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.242 340 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.242 340 G C 0.041 174.866 174.900 -0.125 0.000 0.982 340 G CA 0.279 45.310 45.100 -0.116 0.000 0.662 340 G HN 0.452 nan 8.290 nan 0.000 0.527 341 I N 0.495 120.979 120.570 -0.143 0.000 2.353 341 I HA 0.315 4.485 4.170 -0.000 0.000 0.293 341 I C 0.680 176.747 176.117 -0.083 0.000 0.992 341 I CA -0.583 60.642 61.300 -0.125 0.000 1.268 341 I CB 1.627 39.542 38.000 -0.141 0.000 1.387 341 I HN 0.025 nan 8.210 nan 0.000 0.478 342 K N 8.372 128.715 120.400 -0.095 0.000 2.244 342 K HA 0.370 4.690 4.320 -0.000 0.000 0.263 342 K C -2.494 174.144 176.600 0.064 0.000 1.103 342 K CA -1.641 54.598 56.287 -0.079 0.000 0.966 342 K CB 0.622 32.962 32.500 -0.267 0.000 1.429 342 K HN 0.185 nan 8.250 nan 0.000 0.434 343 P HA -0.081 nan 4.420 nan 0.000 0.267 343 P C -0.105 177.344 177.300 0.249 0.000 1.200 343 P CA -0.236 62.986 63.100 0.203 0.000 0.772 343 P CB 1.304 33.128 31.700 0.207 0.000 0.855 344 V N 0.586 120.624 119.914 0.207 0.000 3.134 344 V HA 0.093 4.213 4.120 -0.000 0.000 0.222 344 V C 0.893 177.094 176.094 0.178 0.000 1.247 344 V CA 0.805 63.230 62.300 0.208 0.000 1.281 344 V CB 0.209 32.158 31.823 0.210 0.000 1.169 344 V HN 0.530 nan 8.190 nan 0.000 0.512 345 S N -0.420 115.402 115.700 0.204 0.000 2.651 345 S HA 0.694 5.164 4.470 -0.000 0.000 0.291 345 S C -0.541 174.086 174.600 0.045 0.000 1.141 345 S CA -0.416 57.864 58.200 0.134 0.000 1.027 345 S CB 1.241 64.537 63.200 0.160 0.000 1.043 345 S HN 0.295 nan 8.310 nan 0.000 0.530 346 I N 2.485 123.009 120.570 -0.076 0.000 2.798 346 I HA 0.246 4.416 4.170 -0.000 0.000 0.323 346 I C 0.202 176.215 176.117 -0.173 0.000 1.468 346 I CA -0.574 60.522 61.300 -0.341 0.000 0.800 346 I CB 0.501 38.139 38.000 -0.602 0.000 2.090 346 I HN 0.682 nan 8.210 nan 0.000 0.584 347 A N 1.786 124.571 122.820 -0.059 0.000 2.618 347 A HA 0.271 4.591 4.320 -0.000 0.000 0.293 347 A C 0.587 178.212 177.584 0.068 0.000 1.413 347 A CA 0.620 52.686 52.037 0.049 0.000 1.074 347 A CB -0.183 18.975 19.000 0.264 0.000 1.087 347 A HN 0.468 nan 8.150 nan 0.000 0.553 348 S N 2.319 117.902 115.700 -0.195 0.000 2.508 348 S HA 0.767 5.237 4.470 -0.000 0.000 0.284 348 S C -0.947 173.409 174.600 -0.406 0.000 1.192 348 S CA -0.357 57.771 58.200 -0.119 0.000 1.070 348 S CB 0.235 63.423 63.200 -0.020 0.000 1.004 348 S HN 0.474 nan 8.310 nan 0.000 0.493 349 Y N 2.418 122.714 120.300 -0.007 0.000 2.562 349 Y HA 0.559 5.109 4.550 -0.000 0.000 0.345 349 Y C -0.185 175.703 175.900 -0.020 0.000 1.045 349 Y CA -1.288 56.814 58.100 0.003 0.000 1.028 349 Y CB 1.805 40.280 38.460 0.025 0.000 1.297 349 Y HN 0.777 nan 8.280 nan 0.000 0.463 350 N N 0.459 119.241 118.700 0.137 0.000 3.193 350 N HA 0.126 4.866 4.740 -0.000 0.000 0.234 350 N C -1.877 173.657 175.510 0.040 0.000 1.267 350 N CA -0.570 52.489 53.050 0.015 0.000 0.875 350 N CB 0.196 38.678 38.487 -0.008 0.000 1.592 350 N HN 0.862 nan 8.380 nan 0.000 0.648 351 H N 1.405 120.493 119.070 0.029 0.000 2.499 351 H HA 0.783 5.338 4.556 -0.000 0.000 0.340 351 H C -0.082 175.236 175.328 -0.016 0.000 1.148 351 H CA -0.843 55.215 56.048 0.016 0.000 1.215 351 H CB 1.646 31.414 29.762 0.010 0.000 1.529 351 H HN 0.481 nan 8.280 nan 0.000 0.510 352 L N -0.014 121.278 121.223 0.116 0.000 2.303 352 L HA 0.769 5.108 4.340 -0.000 0.000 0.256 352 L C 0.290 177.116 176.870 -0.073 0.000 1.034 352 L CA -0.724 54.136 54.840 0.032 0.000 0.832 352 L CB 1.228 43.312 42.059 0.041 0.000 1.403 352 L HN 0.977 nan 8.230 nan 0.000 0.419 353 G N 0.538 109.263 108.800 -0.126 0.000 3.863 353 G HA2 0.123 4.083 3.960 -0.000 0.000 0.290 353 G HA3 0.123 4.083 3.960 -0.000 0.000 0.290 353 G C 0.127 174.992 174.900 -0.059 0.000 1.018 353 G CA -0.232 44.655 45.100 -0.355 0.000 0.824 353 G HN 0.829 nan 8.290 nan 0.000 0.507 354 N N -0.578 118.192 118.700 0.115 0.000 2.563 354 N HA 0.120 4.860 4.740 -0.000 0.000 0.288 354 N C 0.437 176.098 175.510 0.253 0.000 1.246 354 N CA -0.867 52.282 53.050 0.166 0.000 0.946 354 N CB 0.767 39.300 38.487 0.077 0.000 1.213 354 N HN -0.165 nan 8.380 nan 0.000 0.578 355 N N -0.354 118.427 118.700 0.136 0.000 2.443 355 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 355 N C -0.245 175.304 175.510 0.064 0.000 1.037 355 N CA 0.734 53.829 53.050 0.075 0.000 0.896 355 N CB -0.179 38.322 38.487 0.023 0.000 0.959 355 N HN 0.753 nan 8.380 nan 0.000 0.442 384 N N 2.085 120.850 118.700 0.109 0.000 2.701 384 N HA 0.227 4.967 4.740 -0.000 0.000 0.258 384 N C -0.726 174.883 175.510 0.165 0.000 1.262 384 N CA 0.217 53.341 53.050 0.123 0.000 0.780 384 N CB 1.643 40.218 38.487 0.147 0.000 1.380 384 N HN 0.379 nan 8.380 nan 0.000 0.548 385 D N 2.512 122.980 120.400 0.114 0.000 2.349 385 D HA 0.024 4.664 4.640 -0.000 0.000 0.224 385 D C 1.589 177.923 176.300 0.056 0.000 1.029 385 D CA 0.134 54.199 54.000 0.108 0.000 0.879 385 D CB 0.297 41.158 40.800 0.102 0.000 0.906 385 D HN 0.551 nan 8.370 nan 0.000 0.528 386 I N -0.065 120.522 120.570 0.028 0.000 2.252 386 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 386 I C 2.229 178.299 176.117 -0.078 0.000 1.102 386 I CA 0.821 62.112 61.300 -0.016 0.000 1.385 386 I CB -0.030 37.956 38.000 -0.023 0.000 1.064 386 I HN -0.007 nan 8.210 nan 0.000 0.414 387 L N -1.063 120.075 121.223 -0.141 0.000 2.189 387 L HA -0.013 4.327 4.340 -0.000 0.000 0.199 387 L C 0.212 176.788 176.870 -0.490 0.000 1.074 387 L CA 0.529 55.144 54.840 -0.376 0.000 0.783 387 L CB -0.227 41.492 42.059 -0.568 0.000 0.955 387 L HN 0.074 nan 8.230 nan 0.000 0.460 388 Y N 1.571 121.874 120.300 0.006 0.000 2.595 388 Y HA 0.304 4.854 4.550 -0.000 0.000 0.336 388 Y C -0.129 175.781 175.900 0.017 0.000 0.996 388 Y CA -1.110 56.997 58.100 0.013 0.000 1.260 388 Y CB -0.076 38.393 38.460 0.015 0.000 1.108 388 Y HN 0.226 nan 8.280 nan 0.000 0.509 389 N N -1.270 117.489 118.700 0.097 0.000 2.902 389 N HA 0.316 5.056 4.740 -0.000 0.000 0.268 389 N C -0.145 175.400 175.510 0.058 0.000 1.450 389 N CA -0.828 52.265 53.050 0.072 0.000 0.819 389 N CB 0.771 39.283 38.487 0.041 0.000 1.540 389 N HN 0.042 nan 8.380 nan 0.000 0.545 390 D N 0.103 120.530 120.400 0.045 0.000 2.103 390 D HA -0.195 4.445 4.640 -0.000 0.000 0.190 390 D C 1.344 177.661 176.300 0.028 0.000 0.997 390 D CA 1.668 55.690 54.000 0.036 0.000 0.833 390 D CB -0.122 40.694 40.800 0.027 0.000 0.961 390 D HN 0.654 nan 8.370 nan 0.000 0.447 391 K N 0.228 120.639 120.400 0.019 0.000 1.977 391 K HA -0.103 4.217 4.320 -0.000 0.000 0.218 391 K C 2.169 178.774 176.600 0.007 0.000 1.051 391 K CA 1.127 57.420 56.287 0.011 0.000 0.953 391 K CB -0.289 32.213 32.500 0.003 0.000 0.727 391 K HN 0.080 nan 8.250 nan 0.000 0.445 392 L N -0.127 121.094 121.223 -0.004 0.000 2.395 392 L HA 0.087 4.427 4.340 -0.000 0.000 0.218 392 L C 0.621 177.491 176.870 0.001 0.000 1.130 392 L CA 0.305 55.133 54.840 -0.020 0.000 0.826 392 L CB -0.287 41.733 42.059 -0.064 0.000 0.941 392 L HN 0.620 nan 8.230 nan 0.000 0.451 393 G N 1.343 110.165 108.800 0.035 0.000 3.209 393 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 393 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 393 G C 0.056 175.058 174.900 0.170 0.000 1.065 393 G CA -0.171 44.978 45.100 0.081 0.000 0.812 393 G HN 0.417 nan 8.290 nan 0.000 0.573 394 K N 0.788 121.304 120.400 0.195 0.000 2.514 394 K HA 0.346 4.666 4.320 -0.000 0.000 0.207 394 K C 0.562 177.262 176.600 0.166 0.000 1.035 394 K CA -0.475 55.981 56.287 0.280 0.000 1.113 394 K CB 1.022 33.621 32.500 0.165 0.000 0.846 394 K HN 0.435 nan 8.250 nan 0.000 0.491 395 K N 1.544 122.048 120.400 0.173 0.000 2.156 395 K HA 0.275 4.595 4.320 -0.000 0.000 0.271 395 K C -1.201 175.466 176.600 0.112 0.000 0.995 395 K CA -0.625 55.720 56.287 0.097 0.000 0.890 395 K CB 1.470 34.021 32.500 0.085 0.000 1.073 395 K HN -0.021 nan 8.250 nan 0.000 0.454 396 V N 4.307 124.243 119.914 0.036 0.000 2.439 396 V HA 0.084 4.204 4.120 -0.000 0.000 0.277 396 V C -1.286 174.836 176.094 0.046 0.000 1.008 396 V CA -1.104 61.219 62.300 0.038 0.000 0.846 396 V CB 1.306 33.085 31.823 -0.073 0.000 1.031 396 V HN 0.809 nan 8.190 nan 0.000 0.441 397 D N 2.980 123.422 120.400 0.069 0.000 2.363 397 D HA 0.121 4.761 4.640 -0.000 0.000 0.263 397 D C 0.011 176.366 176.300 0.091 0.000 1.258 397 D CA 0.650 54.691 54.000 0.069 0.000 0.907 397 D CB 0.263 41.100 40.800 0.063 0.000 1.107 397 D HN 0.676 nan 8.370 nan 0.000 0.495 398 H N 1.383 120.435 119.070 -0.030 0.000 2.511 398 H HA 0.370 4.926 4.556 -0.000 0.000 0.328 398 H C -0.790 174.481 175.328 -0.095 0.000 1.044 398 H CA -1.008 55.004 56.048 -0.060 0.000 1.212 398 H CB 1.016 30.749 29.762 -0.050 0.000 1.428 398 H HN 0.420 nan 8.280 nan 0.000 0.483 399 C N 7.671 127.040 119.300 0.115 0.000 2.330 399 C HA 0.465 4.925 4.460 -0.000 0.000 0.344 399 C C -0.605 174.209 174.990 -0.293 0.000 1.273 399 C CA -0.593 58.341 59.018 -0.141 0.000 1.879 399 C CB -0.827 26.788 27.740 -0.208 0.000 2.376 399 C HN 0.698 nan 8.230 nan 0.000 0.534 400 I N 7.680 128.046 120.570 -0.340 0.000 2.493 400 I HA 0.332 4.502 4.170 -0.000 0.000 0.279 400 I C -0.258 175.702 176.117 -0.263 0.000 1.045 400 I CA -0.190 60.915 61.300 -0.325 0.000 1.106 400 I CB 1.110 38.928 38.000 -0.303 0.000 1.216 400 I HN 0.379 nan 8.210 nan 0.000 0.459 401 V N 7.303 127.036 119.914 -0.301 0.000 2.513 401 V HA 0.579 4.699 4.120 -0.000 0.000 0.299 401 V C 0.026 176.123 176.094 0.005 0.000 1.035 401 V CA -0.497 61.727 62.300 -0.126 0.000 0.889 401 V CB 2.933 34.723 31.823 -0.054 0.000 0.988 401 V HN 0.414 nan 8.190 nan 0.000 0.440 402 I N 5.039 125.638 120.570 0.048 0.000 2.497 402 I HA 0.459 4.629 4.170 -0.000 0.000 0.284 402 I C -0.518 175.674 176.117 0.125 0.000 1.060 402 I CA -0.648 60.705 61.300 0.089 0.000 1.071 402 I CB 1.772 39.809 38.000 0.062 0.000 1.216 402 I HN 0.400 nan 8.210 nan 0.000 0.442 403 K N 4.452 124.960 120.400 0.181 0.000 2.221 403 K HA 0.454 4.774 4.320 -0.000 0.000 0.243 403 K C -1.245 175.476 176.600 0.202 0.000 0.968 403 K CA -0.862 55.526 56.287 0.168 0.000 0.846 403 K CB 2.636 35.202 32.500 0.110 0.000 1.141 403 K HN 0.434 nan 8.250 nan 0.000 0.434 404 Y N 1.905 122.240 120.300 0.058 0.000 2.328 404 Y HA 0.389 4.939 4.550 -0.000 0.000 0.337 404 Y C -0.589 175.325 175.900 0.023 0.000 1.008 404 Y CA -0.402 57.730 58.100 0.054 0.000 1.129 404 Y CB 0.825 39.307 38.460 0.037 0.000 1.185 404 Y HN 0.419 nan 8.280 nan 0.000 0.476 405 M N 7.785 127.009 119.600 -0.626 0.000 2.060 405 M HA 0.179 4.659 4.480 -0.000 0.000 0.231 405 M C 0.585 176.577 176.300 -0.512 0.000 0.936 405 M CA -0.477 54.540 55.300 -0.471 0.000 0.981 405 M CB 1.713 34.140 32.600 -0.288 0.000 2.216 405 M HN 0.725 nan 8.290 nan 0.000 0.399 406 K N 1.844 121.818 120.400 -0.711 0.000 2.173 406 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 406 K C -1.073 175.440 176.600 -0.145 0.000 1.046 406 K CA 2.006 58.076 56.287 -0.361 0.000 0.929 406 K CB -0.374 32.063 32.500 -0.105 0.000 0.720 406 K HN 0.322 nan 8.250 nan 0.000 0.453 407 P HA -0.217 nan 4.420 nan 0.000 0.218 407 P C 1.346 178.625 177.300 -0.035 0.000 1.154 407 P CA 1.875 64.943 63.100 -0.052 0.000 0.872 407 P CB -0.146 31.526 31.700 -0.045 0.000 0.790 408 V N -4.579 115.314 119.914 -0.034 0.000 2.913 408 V HA 0.074 4.193 4.120 -0.000 0.000 0.260 408 V C 1.503 177.587 176.094 -0.017 0.000 1.098 408 V CA 1.192 63.487 62.300 -0.009 0.000 1.121 408 V CB -1.717 30.116 31.823 0.018 0.000 0.714 408 V HN 0.375 nan 8.190 nan 0.000 0.487 409 G N 0.732 109.512 108.800 -0.033 0.000 2.556 409 G HA2 -0.495 3.465 3.960 -0.000 0.000 0.283 409 G HA3 -0.495 3.465 3.960 -0.000 0.000 0.283 409 G C 0.484 175.379 174.900 -0.008 0.000 1.177 409 G CA 0.928 46.018 45.100 -0.016 0.000 0.978 409 G HN 0.607 nan 8.290 nan 0.000 0.554 410 D N 0.503 120.903 120.400 -0.000 0.000 2.162 410 D HA 0.144 4.784 4.640 -0.000 0.000 0.203 410 D C 1.703 178.002 176.300 -0.001 0.000 0.967 410 D CA 1.355 55.357 54.000 0.003 0.000 0.840 410 D CB -0.180 40.622 40.800 0.003 0.000 0.972 410 D HN 0.386 nan 8.370 nan 0.000 0.482 411 S N 1.210 116.909 115.700 -0.002 0.000 2.670 411 S HA 0.060 4.530 4.470 -0.000 0.000 0.328 411 S C 0.060 174.646 174.600 -0.023 0.000 1.179 411 S CA -0.231 57.966 58.200 -0.005 0.000 1.194 411 S CB -0.159 63.044 63.200 0.004 0.000 1.359 411 S HN 0.285 nan 8.310 nan 0.000 0.555 412 K N 1.183 121.559 120.400 -0.040 0.000 2.109 412 K HA 0.709 5.029 4.320 -0.000 0.000 0.243 412 K C -0.562 175.953 176.600 -0.143 0.000 1.006 412 K CA -0.864 55.369 56.287 -0.089 0.000 0.917 412 K CB 1.081 33.537 32.500 -0.074 0.000 1.081 412 K HN 0.226 nan 8.250 nan 0.000 0.468 413 V N 0.040 119.786 119.914 -0.280 0.000 2.638 413 V HA 0.740 4.860 4.120 -0.000 0.000 0.306 413 V C -1.469 174.397 176.094 -0.380 0.000 1.052 413 V CA -0.372 61.727 62.300 -0.335 0.000 0.885 413 V CB 1.304 32.927 31.823 -0.334 0.000 0.999 413 V HN 1.065 nan 8.190 nan 0.000 0.424 414 A N 6.723 129.358 122.820 -0.308 0.000 2.355 414 A HA 0.999 5.319 4.320 -0.000 0.000 0.324 414 A C -0.833 176.614 177.584 -0.228 0.000 1.117 414 A CA -0.758 51.161 52.037 -0.196 0.000 0.785 414 A CB 1.781 20.723 19.000 -0.097 0.000 1.254 414 A HN 1.343 nan 8.150 nan 0.000 0.453 415 M N 1.782 121.341 119.600 -0.068 0.000 2.271 415 M HA 0.545 5.025 4.480 -0.000 0.000 0.285 415 M C -2.280 174.097 176.300 0.129 0.000 1.059 415 M CA -0.180 55.127 55.300 0.012 0.000 0.940 415 M CB 1.911 34.528 32.600 0.028 0.000 1.636 415 M HN 0.608 nan 8.290 nan 0.000 0.460 416 D N 2.630 123.104 120.400 0.122 0.000 2.649 416 D HA 0.490 5.130 4.640 -0.000 0.000 0.249 416 D C -1.592 174.745 176.300 0.063 0.000 1.112 416 D CA -0.191 53.856 54.000 0.080 0.000 0.850 416 D CB 1.786 42.631 40.800 0.074 0.000 1.399 416 D HN 0.628 nan 8.370 nan 0.000 0.503 417 E N 1.645 121.821 120.200 -0.041 0.000 2.199 417 E HA 0.407 4.757 4.350 -0.000 0.000 0.265 417 E C -1.521 174.999 176.600 -0.135 0.000 0.882 417 E CA -0.698 55.716 56.400 0.023 0.000 0.759 417 E CB 0.798 30.549 29.700 0.085 0.000 1.148 417 E HN 0.336 nan 8.360 nan 0.000 0.412 418 Y N 2.952 123.335 120.300 0.138 0.000 2.364 418 Y HA 0.402 4.951 4.550 -0.000 0.000 0.340 418 Y C -1.075 174.960 175.900 0.225 0.000 0.975 418 Y CA -0.863 57.322 58.100 0.141 0.000 1.089 418 Y CB 1.387 39.906 38.460 0.099 0.000 1.192 418 Y HN 0.495 nan 8.280 nan 0.000 0.454 419 Y N 2.366 122.783 120.300 0.196 0.000 2.363 419 Y HA 0.594 5.144 4.550 -0.000 0.000 0.325 419 Y C -0.738 175.267 175.900 0.174 0.000 0.984 419 Y CA -0.908 57.286 58.100 0.156 0.000 1.248 419 Y CB 0.973 39.491 38.460 0.097 0.000 1.116 419 Y HN 0.597 nan 8.280 nan 0.000 0.470 420 S N 3.757 119.387 115.700 -0.116 0.000 2.648 420 S HA 0.509 4.979 4.470 -0.000 0.000 0.305 420 S C -0.949 173.528 174.600 -0.205 0.000 1.094 420 S CA -1.114 57.032 58.200 -0.090 0.000 0.983 420 S CB 1.618 64.810 63.200 -0.012 0.000 1.101 420 S HN 0.598 nan 8.310 nan 0.000 0.514 421 E N 0.935 121.047 120.200 -0.148 0.000 2.266 421 E HA 0.498 4.848 4.350 -0.000 0.000 0.277 421 E C -0.709 175.753 176.600 -0.230 0.000 1.018 421 E CA -0.359 55.890 56.400 -0.252 0.000 0.840 421 E CB 0.876 30.462 29.700 -0.189 0.000 1.082 421 E HN 0.349 nan 8.360 nan 0.000 0.395 422 L N 1.965 123.018 121.223 -0.283 0.000 2.341 422 L HA 0.506 4.846 4.340 -0.000 0.000 0.267 422 L C 0.430 177.191 176.870 -0.181 0.000 1.022 422 L CA -1.401 53.326 54.840 -0.188 0.000 0.844 422 L CB 0.784 42.754 42.059 -0.148 0.000 1.436 422 L HN 0.542 nan 8.230 nan 0.000 0.483 423 M N -0.092 119.431 119.600 -0.128 0.000 2.232 423 M HA 0.242 4.722 4.480 -0.000 0.000 0.321 423 M C -0.190 176.046 176.300 -0.106 0.000 1.101 423 M CA -0.396 54.839 55.300 -0.108 0.000 1.181 423 M CB 0.309 32.862 32.600 -0.078 0.000 1.432 423 M HN 0.278 nan 8.290 nan 0.000 0.457 424 L N 2.248 123.420 121.223 -0.086 0.000 3.742 424 L HA -0.213 4.127 4.340 -0.000 0.000 0.431 424 L C 1.097 177.919 176.870 -0.079 0.000 1.220 424 L CA 1.776 56.576 54.840 -0.068 0.000 0.863 424 L CB -2.821 39.210 42.059 -0.047 0.000 1.751 424 L HN 1.271 nan 8.230 nan 0.000 0.922 425 G N -2.658 106.068 108.800 -0.123 0.000 2.179 425 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.260 425 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.260 425 G C 0.805 175.549 174.900 -0.261 0.000 0.977 425 G CA 0.311 45.326 45.100 -0.142 0.000 0.641 425 G HN 1.246 nan 8.290 nan 0.000 0.533 426 G N -0.915 107.731 108.800 -0.258 0.000 2.599 426 G HA2 0.595 4.555 3.960 -0.000 0.000 0.264 426 G HA3 0.595 4.555 3.960 -0.000 0.000 0.264 426 G C -0.404 174.160 174.900 -0.560 0.000 1.200 426 G CA 0.060 45.020 45.100 -0.234 0.000 0.896 426 G HN 0.631 nan 8.290 nan 0.000 0.536 427 H N -1.444 117.574 119.070 -0.088 0.000 2.946 427 H HA 0.537 5.093 4.556 -0.000 0.000 0.365 427 H C -0.557 174.683 175.328 -0.147 0.000 1.197 427 H CA -0.752 55.164 56.048 -0.219 0.000 1.131 427 H CB 2.108 31.638 29.762 -0.386 0.000 1.849 427 H HN 0.539 nan 8.280 nan 0.000 0.555 428 N N 0.463 119.115 118.700 -0.079 0.000 2.295 428 N HA 0.317 5.057 4.740 -0.000 0.000 0.293 428 N C -1.581 173.978 175.510 0.083 0.000 1.040 428 N CA -0.841 52.218 53.050 0.016 0.000 0.840 428 N CB 1.761 40.251 38.487 0.005 0.000 1.468 428 N HN 0.592 nan 8.380 nan 0.000 0.478 429 R N 4.389 125.003 120.500 0.190 0.000 2.409 429 R HA 0.544 4.883 4.340 -0.000 0.000 0.313 429 R C -1.205 175.220 176.300 0.209 0.000 0.953 429 R CA -0.471 55.802 56.100 0.288 0.000 0.849 429 R CB 0.473 30.976 30.300 0.338 0.000 1.171 429 R HN 0.579 nan 8.270 nan 0.000 0.458 430 I N 2.958 123.671 120.570 0.239 0.000 2.406 430 I HA 0.300 4.469 4.170 -0.000 0.000 0.290 430 I C -0.456 175.817 176.117 0.260 0.000 0.999 430 I CA -0.704 60.722 61.300 0.211 0.000 1.124 430 I CB 2.297 40.405 38.000 0.180 0.000 1.289 430 I HN 0.544 nan 8.210 nan 0.000 0.441 431 S N 6.706 122.521 115.700 0.190 0.000 2.454 431 S HA 0.612 5.082 4.470 -0.000 0.000 0.306 431 S C -0.449 174.258 174.600 0.179 0.000 1.100 431 S CA -0.556 57.754 58.200 0.184 0.000 1.087 431 S CB 1.583 64.862 63.200 0.132 0.000 1.019 431 S HN 0.277 nan 8.310 nan 0.000 0.480 432 I N 3.798 124.489 120.570 0.202 0.000 2.382 432 I HA 0.301 4.471 4.170 -0.000 0.000 0.285 432 I C -0.064 176.152 176.117 0.164 0.000 1.007 432 I CA -0.341 61.063 61.300 0.173 0.000 1.142 432 I CB 0.898 39.013 38.000 0.190 0.000 1.289 432 I HN 0.687 nan 8.210 nan 0.000 0.453 433 H N 6.890 125.993 119.070 0.054 0.000 2.466 433 H HA 0.434 4.990 4.556 -0.000 0.000 0.338 433 H C -1.267 174.075 175.328 0.024 0.000 1.091 433 H CA -0.274 55.794 56.048 0.034 0.000 1.207 433 H CB 1.777 31.553 29.762 0.023 0.000 1.466 433 H HN 0.512 nan 8.280 nan 0.000 0.493 434 N N 4.287 122.879 118.700 -0.180 0.000 2.352 434 N HA 0.263 5.003 4.740 -0.000 0.000 0.291 434 N C -1.767 173.666 175.510 -0.127 0.000 1.040 434 N CA -0.383 52.624 53.050 -0.072 0.000 0.864 434 N CB 2.028 40.487 38.487 -0.048 0.000 1.440 434 N HN 0.277 nan 8.380 nan 0.000 0.483 435 V N 2.532 122.435 119.914 -0.019 0.000 2.638 435 V HA 0.708 4.827 4.120 -0.000 0.000 0.306 435 V C -0.151 175.946 176.094 0.005 0.000 1.052 435 V CA -0.684 61.605 62.300 -0.019 0.000 0.885 435 V CB 1.146 32.997 31.823 0.047 0.000 0.999 435 V HN 0.982 nan 8.190 nan 0.000 0.424 436 C N 2.763 122.060 119.300 -0.005 0.000 3.045 436 C HA 0.477 4.937 4.460 -0.000 0.000 0.338 436 C C -1.087 173.908 174.990 0.007 0.000 1.267 436 C CA -0.844 58.181 59.018 0.012 0.000 1.177 436 C CB 1.678 29.431 27.740 0.023 0.000 1.380 436 C HN 0.916 nan 8.230 nan 0.000 0.469 437 E N 1.456 121.666 120.200 0.017 0.000 2.081 437 E HA 0.087 4.437 4.350 -0.000 0.000 0.270 437 E C 0.348 176.958 176.600 0.017 0.000 1.180 437 E CA 0.136 56.544 56.400 0.014 0.000 0.926 437 E CB 0.649 30.359 29.700 0.017 0.000 1.035 437 E HN 0.676 nan 8.360 nan 0.000 0.418 438 D N 3.171 123.578 120.400 0.011 0.000 2.154 438 D HA -0.195 4.445 4.640 -0.000 0.000 0.190 438 D C 1.192 177.505 176.300 0.023 0.000 1.003 438 D CA 1.704 55.713 54.000 0.016 0.000 0.849 438 D CB 0.098 40.906 40.800 0.014 0.000 0.942 438 D HN 0.383 nan 8.370 nan 0.000 0.446 439 S N -0.690 115.020 115.700 0.016 0.000 2.474 439 S HA -0.005 4.465 4.470 -0.000 0.000 0.235 439 S C 1.896 176.509 174.600 0.022 0.000 0.997 439 S CA 0.115 58.324 58.200 0.014 0.000 0.949 439 S CB 0.018 63.219 63.200 0.001 0.000 0.766 439 S HN 0.331 nan 8.310 nan 0.000 0.517 440 L N 0.431 121.670 121.223 0.028 0.000 2.554 440 L HA 0.161 4.501 4.340 -0.000 0.000 0.226 440 L C 1.633 178.540 176.870 0.062 0.000 1.137 440 L CA 0.596 55.459 54.840 0.040 0.000 0.863 440 L CB -0.140 41.943 42.059 0.040 0.000 0.985 440 L HN 0.333 nan 8.230 nan 0.000 0.451 441 L N -1.494 119.765 121.223 0.059 0.000 2.500 441 L HA 0.148 4.487 4.340 -0.000 0.000 0.219 441 L C 2.584 179.501 176.870 0.077 0.000 1.057 441 L CA 0.455 55.340 54.840 0.075 0.000 0.854 441 L CB -0.062 42.036 42.059 0.065 0.000 1.078 441 L HN 0.136 nan 8.230 nan 0.000 0.480 442 A N -0.047 122.808 122.820 0.058 0.000 1.929 442 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 442 A C 2.228 179.839 177.584 0.044 0.000 1.176 442 A CA 2.078 54.147 52.037 0.053 0.000 0.628 442 A CB -0.680 18.341 19.000 0.035 0.000 0.816 442 A HN 0.311 nan 8.150 nan 0.000 0.444 443 T N 0.897 115.476 114.554 0.041 0.000 2.652 443 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 443 T C -0.242 174.486 174.700 0.046 0.000 1.039 443 T CA 1.792 63.916 62.100 0.040 0.000 1.153 443 T CB -1.113 67.781 68.868 0.044 0.000 0.863 443 T HN 0.504 nan 8.240 nan 0.000 0.428 444 P HA 0.039 nan 4.420 nan 0.000 0.223 444 P C 1.738 179.044 177.300 0.009 0.000 1.151 444 P CA 0.731 63.865 63.100 0.056 0.000 0.787 444 P CB -0.145 31.621 31.700 0.111 0.000 0.788 445 L N -0.868 120.381 121.223 0.044 0.000 2.109 445 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 445 L C 2.515 179.301 176.870 -0.139 0.000 1.086 445 L CA 1.190 56.050 54.840 0.033 0.000 0.760 445 L CB -0.551 41.612 42.059 0.174 0.000 0.910 445 L HN -0.232 nan 8.230 nan 0.000 0.437 446 I N -0.062 120.468 120.570 -0.067 0.000 2.252 446 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 446 I C 2.387 178.436 176.117 -0.113 0.000 1.102 446 I CA 1.432 62.679 61.300 -0.089 0.000 1.385 446 I CB -0.197 37.781 38.000 -0.037 0.000 1.064 446 I HN 0.257 nan 8.210 nan 0.000 0.414 447 I N 0.632 121.166 120.570 -0.060 0.000 2.208 447 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 447 I C 2.092 178.118 176.117 -0.151 0.000 1.097 447 I CA 1.416 62.709 61.300 -0.011 0.000 1.363 447 I CB -0.506 37.428 38.000 -0.109 0.000 1.051 447 I HN 0.257 nan 8.210 nan 0.000 0.413 448 D N 0.870 121.068 120.400 -0.336 0.000 2.097 448 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 448 D C 2.342 178.105 176.300 -0.896 0.000 0.989 448 D CA 1.251 54.884 54.000 -0.612 0.000 0.827 448 D CB -0.342 39.998 40.800 -0.766 0.000 0.966 448 D HN 0.270 nan 8.370 nan 0.000 0.456 449 L N 0.274 120.950 121.223 -0.911 0.000 2.012 449 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 449 L C 2.616 179.280 176.870 -0.343 0.000 1.073 449 L CA 0.848 55.286 54.840 -0.670 0.000 0.748 449 L CB -0.400 41.435 42.059 -0.373 0.000 0.891 449 L HN 0.050 nan 8.230 nan 0.000 0.431 450 L N -1.255 119.823 121.223 -0.241 0.000 2.046 450 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 450 L C 2.513 179.322 176.870 -0.102 0.000 1.077 450 L CA 0.868 55.595 54.840 -0.188 0.000 0.747 450 L CB -0.628 41.253 42.059 -0.297 0.000 0.896 450 L HN 0.065 nan 8.230 nan 0.000 0.432 451 V N -0.616 119.281 119.914 -0.028 0.000 2.343 451 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 451 V C 2.523 178.646 176.094 0.049 0.000 1.051 451 V CA 1.515 63.850 62.300 0.059 0.000 1.036 451 V CB -0.372 31.466 31.823 0.025 0.000 0.654 451 V HN 0.380 nan 8.190 nan 0.000 0.451 452 M N -0.714 118.851 119.600 -0.059 0.000 2.288 452 M HA -0.062 4.418 4.480 -0.000 0.000 0.266 452 M C 2.234 178.594 176.300 0.100 0.000 1.072 452 M CA 1.483 56.803 55.300 0.034 0.000 1.132 452 M CB -1.487 31.078 32.600 -0.058 0.000 1.386 452 M HN 0.358 nan 8.290 nan 0.000 0.432 453 T N 0.294 114.866 114.554 0.030 0.000 2.777 453 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 453 T C 1.825 176.638 174.700 0.188 0.000 1.040 453 T CA 1.227 63.385 62.100 0.095 0.000 1.141 453 T CB -0.059 68.842 68.868 0.056 0.000 0.868 453 T HN 0.324 nan 8.240 nan 0.000 0.444 454 E N 0.764 121.045 120.200 0.134 0.000 2.047 454 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 454 E C 1.974 178.690 176.600 0.193 0.000 0.987 454 E CA 1.011 57.492 56.400 0.135 0.000 0.799 454 E CB -0.402 29.356 29.700 0.096 0.000 0.752 454 E HN 0.487 nan 8.360 nan 0.000 0.449 455 F N 1.166 121.174 119.950 0.097 0.000 2.095 455 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 455 F C 2.544 178.466 175.800 0.202 0.000 1.104 455 F CA 1.752 59.822 58.000 0.117 0.000 1.232 455 F CB -0.540 38.515 39.000 0.091 0.000 0.987 455 F HN 0.106 nan 8.300 nan 0.000 0.475 456 C N 0.300 119.778 119.300 0.296 0.000 2.432 456 C HA -0.135 4.324 4.460 -0.000 0.000 0.282 456 C C 2.778 178.127 174.990 0.599 0.000 1.388 456 C CA 1.599 60.816 59.018 0.331 0.000 1.777 456 C CB -1.799 25.924 27.740 -0.027 0.000 1.882 456 C HN 0.714 nan 8.230 nan 0.000 0.520 457 T N -1.651 113.151 114.554 0.413 0.000 3.055 457 T HA -0.057 4.292 4.350 -0.000 0.000 0.265 457 T C 1.541 176.286 174.700 0.076 0.000 1.111 457 T CA 0.800 63.008 62.100 0.181 0.000 1.118 457 T CB -0.319 68.555 68.868 0.010 0.000 0.909 457 T HN 0.540 nan 8.240 nan 0.000 0.501 458 R N 0.417 120.934 120.500 0.029 0.000 2.388 458 R HA 0.399 4.739 4.340 -0.000 0.000 0.247 458 R C -0.641 175.624 176.300 -0.058 0.000 0.931 458 R CA -0.161 55.903 56.100 -0.060 0.000 1.082 458 R CB 0.555 30.777 30.300 -0.131 0.000 1.135 458 R HN 0.267 nan 8.270 nan 0.000 0.525 459 V N 0.912 120.891 119.914 0.108 0.000 2.495 459 V HA 0.411 4.531 4.120 -0.000 0.000 0.298 459 V C -0.281 175.933 176.094 0.200 0.000 1.031 459 V CA -0.666 61.751 62.300 0.194 0.000 0.871 459 V CB 1.808 33.917 31.823 0.477 0.000 0.988 459 V HN 0.248 nan 8.190 nan 0.000 0.432 460 S N 4.120 119.903 115.700 0.139 0.000 2.588 460 S HA 0.902 5.372 4.470 -0.000 0.000 0.275 460 S C -1.142 173.627 174.600 0.281 0.000 1.130 460 S CA -0.781 57.482 58.200 0.105 0.000 0.855 460 S CB 2.158 65.363 63.200 0.009 0.000 1.116 460 S HN 0.883 nan 8.310 nan 0.000 0.472 461 Y N -0.734 119.660 120.300 0.157 0.000 2.705 461 Y HA 0.874 5.424 4.550 -0.000 0.000 0.332 461 Y C -0.865 175.035 175.900 -0.000 0.000 1.157 461 Y CA -1.200 56.919 58.100 0.031 0.000 1.091 461 Y CB 1.297 39.523 38.460 -0.390 0.000 1.301 461 Y HN 0.938 nan 8.280 nan 0.000 0.488 462 K N 1.400 121.767 120.400 -0.055 0.000 2.561 462 K HA 0.349 4.669 4.320 -0.000 0.000 0.254 462 K C -1.637 174.947 176.600 -0.028 0.000 0.942 462 K CA -0.765 55.372 56.287 -0.249 0.000 0.818 462 K CB 1.855 33.883 32.500 -0.787 0.000 1.306 462 K HN 0.805 nan 8.250 nan 0.000 0.435 463 K N 1.664 122.046 120.400 -0.030 0.000 2.107 463 K HA 0.486 4.806 4.320 -0.000 0.000 0.251 463 K C -0.257 176.216 176.600 -0.212 0.000 1.012 463 K CA -0.772 55.386 56.287 -0.215 0.000 0.920 463 K CB 1.364 33.739 32.500 -0.208 0.000 1.033 463 K HN 0.275 nan 8.250 nan 0.000 0.478 473 K N -0.842 119.464 120.400 -0.157 0.000 2.109 473 K HA 0.785 5.105 4.320 -0.000 0.000 0.243 473 K C -0.714 175.746 176.600 -0.234 0.000 1.006 473 K CA -0.746 55.466 56.287 -0.126 0.000 0.917 473 K CB 1.192 33.682 32.500 -0.017 0.000 1.081 473 K HN 0.201 nan 8.250 nan 0.000 0.468 474 F N 0.548 120.424 119.950 -0.124 0.000 2.399 474 F HA 0.270 4.796 4.527 -0.000 0.000 0.313 474 F C 0.496 176.138 175.800 -0.265 0.000 1.202 474 F CA 0.020 57.899 58.000 -0.201 0.000 1.192 474 F CB 0.775 39.681 39.000 -0.156 0.000 1.256 474 F HN 0.561 nan 8.300 nan 0.000 0.558 475 E N -0.179 119.872 120.200 -0.249 0.000 2.433 475 E HA 0.317 4.667 4.350 -0.000 0.000 0.278 475 E C -1.353 175.045 176.600 -0.337 0.000 0.976 475 E CA -1.196 55.002 56.400 -0.338 0.000 0.793 475 E CB 1.879 31.296 29.700 -0.473 0.000 1.311 475 E HN 0.432 nan 8.360 nan 0.000 0.460 476 N N 0.466 119.127 118.700 -0.065 0.000 2.477 476 N HA 0.365 5.105 4.740 -0.000 0.000 0.284 476 N C -0.416 175.339 175.510 0.409 0.000 1.182 476 N CA -0.427 52.724 53.050 0.168 0.000 0.949 476 N CB 0.585 39.188 38.487 0.193 0.000 1.204 476 N HN 0.212 nan 8.380 nan 0.000 0.526 477 F N 0.425 120.733 119.950 0.598 0.000 2.633 477 F HA -0.078 4.449 4.527 -0.000 0.000 0.338 477 F C 1.195 177.227 175.800 0.387 0.000 1.206 477 F CA 0.055 58.328 58.000 0.455 0.000 1.378 477 F CB 0.012 39.119 39.000 0.179 0.000 1.116 477 F HN 0.382 nan 8.300 nan 0.000 0.615 478 Y N 5.308 125.810 120.300 0.337 0.000 2.597 478 Y HA 0.059 4.609 4.550 -0.000 0.000 0.336 478 Y C -1.171 174.841 175.900 0.186 0.000 1.216 478 Y CA -2.286 55.929 58.100 0.193 0.000 1.463 478 Y CB 0.311 38.803 38.460 0.054 0.000 1.303 478 Y HN 0.283 nan 8.280 nan 0.000 0.576 479 P HA -0.255 nan 4.420 nan 0.000 0.219 479 P C 0.229 177.428 177.300 -0.168 0.000 1.153 479 P CA 2.031 65.014 63.100 -0.194 0.000 0.865 479 P CB -0.420 31.051 31.700 -0.382 0.000 0.788 480 V N -1.764 118.020 119.914 -0.217 0.000 2.356 480 V HA 0.237 4.357 4.120 -0.000 0.000 0.258 480 V C 0.358 176.402 176.094 -0.085 0.000 1.065 480 V CA -0.563 61.688 62.300 -0.082 0.000 0.935 480 V CB -0.368 31.489 31.823 0.057 0.000 1.061 480 V HN -0.149 nan 8.190 nan 0.000 0.484 481 L N 6.181 127.273 121.223 -0.218 0.000 2.451 481 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 481 L C 1.953 178.747 176.870 -0.126 0.000 1.258 481 L CA 0.393 55.054 54.840 -0.299 0.000 1.132 481 L CB 0.166 41.971 42.059 -0.423 0.000 1.361 481 L HN 0.978 nan 8.230 nan 0.000 0.438 482 T N -2.398 112.076 114.554 -0.133 0.000 3.072 482 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 482 T C 1.492 176.150 174.700 -0.070 0.000 1.127 482 T CA 0.409 62.449 62.100 -0.100 0.000 1.107 482 T CB -0.216 68.550 68.868 -0.171 0.000 0.910 482 T HN 0.283 nan 8.240 nan 0.000 0.513 483 F N 1.601 121.440 119.950 -0.185 0.000 2.373 483 F HA 0.258 4.785 4.527 -0.000 0.000 0.300 483 F C 1.667 177.474 175.800 0.011 0.000 1.080 483 F CA 0.077 57.975 58.000 -0.170 0.000 1.417 483 F CB -0.314 38.476 39.000 -0.349 0.000 1.070 483 F HN 0.226 nan 8.300 nan 0.000 0.546 484 L N -1.567 119.823 121.223 0.279 0.000 2.653 484 L HA 0.061 4.401 4.340 -0.000 0.000 0.232 484 L C 1.922 179.016 176.870 0.374 0.000 1.169 484 L CA -0.017 55.113 54.840 0.483 0.000 0.951 484 L CB -0.612 41.668 42.059 0.368 0.000 1.181 484 L HN -0.093 nan 8.230 nan 0.000 0.460 485 S N -0.133 115.671 115.700 0.173 0.000 2.399 485 S HA -0.230 4.240 4.470 -0.000 0.000 0.231 485 S C 1.817 176.436 174.600 0.031 0.000 1.022 485 S CA 1.094 59.350 58.200 0.094 0.000 0.983 485 S CB -0.279 62.941 63.200 0.032 0.000 0.803 485 S HN 0.558 nan 8.310 nan 0.000 0.480 486 Y N 0.883 121.032 120.300 -0.251 0.000 2.241 486 Y HA -0.169 4.381 4.550 -0.000 0.000 0.286 486 Y C 1.283 176.911 175.900 -0.454 0.000 1.166 486 Y CA 1.395 59.187 58.100 -0.513 0.000 1.203 486 Y CB -0.151 37.691 38.460 -1.030 0.000 0.977 486 Y HN 0.377 nan 8.280 nan 0.000 0.529 487 W N 0.510 121.926 121.300 0.193 0.000 3.102 487 W HA 0.394 5.054 4.660 -0.000 0.000 0.401 487 W C -1.058 175.486 176.519 0.042 0.000 1.070 487 W CA -0.162 57.250 57.345 0.113 0.000 1.921 487 W CB -0.143 29.413 29.460 0.159 0.000 1.118 487 W HN -0.092 nan 8.180 nan 0.000 0.647 488 L N 0.502 121.829 121.223 0.174 0.000 2.476 488 L HA 0.250 4.590 4.340 -0.000 0.000 0.269 488 L C 1.308 178.215 176.870 0.062 0.000 0.965 488 L CA -0.564 54.353 54.840 0.127 0.000 0.845 488 L CB 2.410 44.561 42.059 0.152 0.000 1.259 488 L HN -0.271 nan 8.230 nan 0.000 0.403 489 K N 2.086 122.515 120.400 0.050 0.000 2.044 489 K HA -0.104 4.216 4.320 -0.000 0.000 0.210 489 K C 0.844 177.467 176.600 0.039 0.000 1.049 489 K CA 1.856 58.162 56.287 0.033 0.000 0.927 489 K CB 0.004 32.526 32.500 0.036 0.000 0.713 489 K HN 0.625 nan 8.250 nan 0.000 0.443 490 A N 1.954 124.804 122.820 0.051 0.000 3.056 490 A HA 0.306 4.626 4.320 -0.000 0.000 0.328 490 A C -2.576 175.049 177.584 0.069 0.000 1.233 490 A CA -1.608 50.462 52.037 0.056 0.000 0.965 490 A CB 0.144 19.177 19.000 0.056 0.000 1.123 490 A HN -0.050 nan 8.150 nan 0.000 0.502 491 P HA 0.003 nan 4.420 nan 0.000 0.258 491 P C -0.086 177.268 177.300 0.090 0.000 1.172 491 P CA 0.156 63.303 63.100 0.078 0.000 0.762 491 P CB 0.274 32.007 31.700 0.055 0.000 0.764 492 L N 5.678 126.972 121.223 0.118 0.000 2.410 492 L HA 0.362 4.702 4.340 -0.000 0.000 0.273 492 L C 0.267 177.191 176.870 0.092 0.000 1.144 492 L CA 0.861 55.783 54.840 0.135 0.000 0.863 492 L CB -0.150 42.036 42.059 0.212 0.000 1.140 492 L HN 0.458 nan 8.230 nan 0.000 0.463 493 T N 2.482 117.093 114.554 0.094 0.000 2.916 493 T HA 0.634 4.984 4.350 -0.000 0.000 0.292 493 T C 0.018 174.771 174.700 0.089 0.000 1.064 493 T CA -1.102 61.035 62.100 0.062 0.000 1.011 493 T CB 0.999 69.917 68.868 0.084 0.000 1.152 493 T HN 0.652 nan 8.240 nan 0.000 0.510 494 R N 1.266 121.770 120.500 0.007 0.000 2.490 494 R HA 0.387 4.727 4.340 -0.000 0.000 0.280 494 R C -2.493 173.990 176.300 0.305 0.000 1.077 494 R CA -1.503 54.633 56.100 0.060 0.000 1.065 494 R CB -0.175 29.941 30.300 -0.307 0.000 1.003 494 R HN 0.444 nan 8.270 nan 0.000 0.470 495 P HA -0.092 nan 4.420 nan 0.000 0.265 495 P C 0.681 178.090 177.300 0.181 0.000 1.187 495 P CA 1.130 64.347 63.100 0.195 0.000 0.766 495 P CB 0.625 32.405 31.700 0.134 0.000 0.820 496 G N 1.219 110.069 108.800 0.084 0.000 2.336 496 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.233 496 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.233 496 G C -0.016 174.774 174.900 -0.183 0.000 1.053 496 G CA -0.416 44.623 45.100 -0.101 0.000 0.625 496 G HN 0.414 nan 8.290 nan 0.000 0.511 497 F N 2.045 122.004 119.950 0.016 0.000 2.375 497 F HA 0.646 5.173 4.527 -0.000 0.000 0.333 497 F C 1.133 177.016 175.800 0.139 0.000 1.104 497 F CA -0.519 57.469 58.000 -0.021 0.000 1.149 497 F CB 0.696 39.669 39.000 -0.045 0.000 1.190 497 F HN 0.135 nan 8.300 nan 0.000 0.533 498 H N 1.771 120.945 119.070 0.173 0.000 2.472 498 H HA 0.321 4.877 4.556 -0.000 0.000 0.335 498 H C -2.060 173.326 175.328 0.097 0.000 1.136 498 H CA -2.109 54.001 56.048 0.104 0.000 1.264 498 H CB 1.039 30.840 29.762 0.065 0.000 1.486 498 H HN 0.355 nan 8.280 nan 0.000 0.517 499 P HA 0.045 nan 4.420 nan 0.000 0.286 499 P C -0.713 176.643 177.300 0.093 0.000 1.269 499 P CA -0.333 62.835 63.100 0.113 0.000 0.787 499 P CB 1.631 33.382 31.700 0.085 0.000 0.920 500 V N 3.955 123.908 119.914 0.064 0.000 2.350 500 V HA 0.220 4.340 4.120 -0.000 0.000 0.276 500 V C 0.415 176.523 176.094 0.024 0.000 1.028 500 V CA -0.301 62.028 62.300 0.048 0.000 0.860 500 V CB 0.470 32.317 31.823 0.039 0.000 0.990 500 V HN 0.425 nan 8.190 nan 0.000 0.453 501 N N 4.398 123.109 118.700 0.018 0.000 2.205 501 N HA 0.238 4.978 4.740 -0.000 0.000 0.201 501 N C 1.021 176.518 175.510 -0.021 0.000 1.128 501 N CA 0.447 53.494 53.050 -0.004 0.000 0.867 501 N CB 0.627 39.116 38.487 0.003 0.000 0.996 501 N HN 0.786 nan 8.380 nan 0.000 0.503 502 G N 1.305 110.103 108.800 -0.004 0.000 2.178 502 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.276 502 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.276 502 G C 1.153 176.039 174.900 -0.023 0.000 1.038 502 G CA -0.149 44.947 45.100 -0.005 0.000 1.177 502 G HN 0.194 nan 8.290 nan 0.000 0.396 503 L N 3.376 124.561 121.223 -0.063 0.000 2.034 503 L HA -0.245 4.095 4.340 -0.000 0.000 0.217 503 L C 2.445 179.312 176.870 -0.006 0.000 1.077 503 L CA 2.403 57.169 54.840 -0.124 0.000 0.769 503 L CB -0.428 41.522 42.059 -0.181 0.000 0.890 503 L HN 0.566 nan 8.230 nan 0.000 0.435 504 N N -0.660 118.055 118.700 0.025 0.000 2.188 504 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 504 N C 1.708 177.258 175.510 0.067 0.000 1.018 504 N CA 1.374 54.462 53.050 0.065 0.000 0.858 504 N CB -0.183 38.335 38.487 0.052 0.000 0.989 504 N HN 0.395 nan 8.380 nan 0.000 0.426 505 K N 0.553 120.982 120.400 0.049 0.000 2.057 505 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 505 K C 1.957 178.593 176.600 0.060 0.000 1.049 505 K CA 1.066 57.383 56.287 0.049 0.000 0.931 505 K CB -0.084 32.438 32.500 0.036 0.000 0.714 505 K HN 0.283 nan 8.250 nan 0.000 0.440 506 Q N 0.141 119.978 119.800 0.061 0.000 2.135 506 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 506 Q C 2.146 178.198 176.000 0.087 0.000 0.981 506 Q CA 1.399 57.246 55.803 0.074 0.000 0.856 506 Q CB -0.061 28.712 28.738 0.059 0.000 0.902 506 Q HN 0.216 nan 8.270 nan 0.000 0.425 507 R N -0.189 120.381 120.500 0.116 0.000 2.119 507 R HA -0.070 4.270 4.340 -0.000 0.000 0.222 507 R C 1.964 178.290 176.300 0.044 0.000 1.088 507 R CA 1.452 57.554 56.100 0.004 0.000 0.984 507 R CB 0.002 30.318 30.300 0.027 0.000 0.884 507 R HN 0.111 nan 8.270 nan 0.000 0.447 508 T N 0.661 115.255 114.554 0.067 0.000 2.746 508 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 508 T C 1.773 176.526 174.700 0.090 0.000 1.039 508 T CA 1.394 63.535 62.100 0.068 0.000 1.142 508 T CB -0.295 68.612 68.868 0.064 0.000 0.866 508 T HN 0.463 nan 8.240 nan 0.000 0.444 509 A N 1.264 124.154 122.820 0.117 0.000 1.883 509 A HA -0.066 4.253 4.320 -0.000 0.000 0.217 509 A C 2.314 180.060 177.584 0.269 0.000 1.186 509 A CA 1.429 53.584 52.037 0.198 0.000 0.624 509 A CB -0.960 18.155 19.000 0.192 0.000 0.822 509 A HN 0.484 nan 8.150 nan 0.000 0.444 510 L N -1.013 120.320 121.223 0.183 0.000 2.046 510 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 510 L C 2.723 179.600 176.870 0.011 0.000 1.077 510 L CA 1.902 56.787 54.840 0.074 0.000 0.747 510 L CB -0.531 41.580 42.059 0.087 0.000 0.896 510 L HN 0.625 nan 8.230 nan 0.000 0.432 511 E N 0.682 120.893 120.200 0.018 0.000 2.058 511 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 511 E C 1.822 178.378 176.600 -0.074 0.000 0.997 511 E CA 1.790 58.152 56.400 -0.063 0.000 0.801 511 E CB -0.040 29.657 29.700 -0.006 0.000 0.746 511 E HN 0.551 nan 8.360 nan 0.000 0.450 512 N N -0.709 117.995 118.700 0.008 0.000 2.309 512 N HA -0.117 4.623 4.740 -0.000 0.000 0.182 512 N C 1.645 177.149 175.510 -0.010 0.000 1.018 512 N CA 0.640 53.697 53.050 0.011 0.000 0.876 512 N CB -0.133 38.398 38.487 0.074 0.000 0.972 512 N HN 0.186 nan 8.380 nan 0.000 0.434 513 F N 1.549 121.402 119.950 -0.161 0.000 2.084 513 F HA -0.065 4.462 4.527 -0.000 0.000 0.296 513 F C 1.914 177.540 175.800 -0.289 0.000 1.111 513 F CA 0.869 58.718 58.000 -0.252 0.000 1.224 513 F CB 0.026 38.805 39.000 -0.369 0.000 0.991 513 F HN -0.064 nan 8.300 nan 0.000 0.471 514 L N 0.132 121.121 121.223 -0.391 0.000 2.083 514 L HA -0.210 4.129 4.340 -0.000 0.000 0.209 514 L C 2.574 179.224 176.870 -0.367 0.000 1.083 514 L CA 1.301 55.841 54.840 -0.500 0.000 0.752 514 L CB -0.657 41.070 42.059 -0.553 0.000 0.899 514 L HN 0.117 nan 8.230 nan 0.000 0.433 515 R N 0.211 120.549 120.500 -0.271 0.000 2.070 515 R HA -0.185 4.155 4.340 -0.000 0.000 0.233 515 R C 2.304 178.499 176.300 -0.175 0.000 1.137 515 R CA 1.715 57.703 56.100 -0.186 0.000 0.945 515 R CB -0.647 29.579 30.300 -0.123 0.000 0.845 515 R HN 0.290 nan 8.270 nan 0.000 0.430 516 L N -0.332 120.752 121.223 -0.231 0.000 2.131 516 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 516 L C 1.867 178.598 176.870 -0.231 0.000 1.092 516 L CA 1.701 56.393 54.840 -0.246 0.000 0.759 516 L CB -0.739 40.969 42.059 -0.586 0.000 0.903 516 L HN 0.067 nan 8.230 nan 0.000 0.435 517 L N 0.476 121.479 121.223 -0.366 0.000 2.265 517 L HA -0.075 4.265 4.340 -0.000 0.000 0.215 517 L C 1.988 178.779 176.870 -0.131 0.000 1.117 517 L CA 1.289 55.953 54.840 -0.294 0.000 0.782 517 L CB -0.468 41.348 42.059 -0.405 0.000 0.914 517 L HN 0.572 nan 8.230 nan 0.000 0.441 518 I N -3.675 116.826 120.570 -0.115 0.000 3.816 518 I HA 0.436 4.606 4.170 -0.000 0.000 0.334 518 I C 0.864 176.972 176.117 -0.016 0.000 1.551 518 I CA -0.155 61.117 61.300 -0.048 0.000 1.153 518 I CB -0.020 37.950 38.000 -0.051 0.000 1.197 518 I HN 0.090 nan 8.210 nan 0.000 0.439 519 G N 2.280 111.081 108.800 0.003 0.000 2.314 519 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.292 519 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.292 519 G C -0.664 174.261 174.900 0.041 0.000 1.059 519 G CA 0.033 45.162 45.100 0.048 0.000 0.982 519 G HN 0.349 nan 8.290 nan 0.000 0.505 520 L N 1.068 122.305 121.223 0.023 0.000 2.386 520 L HA 0.707 5.047 4.340 -0.000 0.000 0.271 520 L C -1.665 175.235 176.870 0.051 0.000 0.993 520 L CA -2.485 52.364 54.840 0.016 0.000 0.819 520 L CB 2.074 44.115 42.059 -0.030 0.000 1.294 520 L HN 0.056 nan 8.230 nan 0.000 0.414 521 P HA 0.254 nan 4.420 nan 0.000 0.276 521 P C -0.500 176.840 177.300 0.065 0.000 1.252 521 P CA -0.447 62.714 63.100 0.101 0.000 0.802 521 P CB 0.963 32.706 31.700 0.071 0.000 1.035 522 S N 0.950 116.708 115.700 0.096 0.000 2.580 522 S HA 0.022 4.491 4.470 -0.000 0.000 0.261 522 S C 0.450 175.062 174.600 0.021 0.000 1.366 522 S CA -0.455 57.783 58.200 0.063 0.000 0.996 522 S CB -0.194 63.064 63.200 0.096 0.000 0.902 522 S HN 0.403 nan 8.310 nan 0.000 0.566 523 Q N 1.928 121.732 119.800 0.006 0.000 2.304 523 Q HA 0.176 4.516 4.340 -0.000 0.000 0.260 523 Q C 0.508 176.494 176.000 -0.024 0.000 0.965 523 Q CA -0.027 55.765 55.803 -0.018 0.000 0.898 523 Q CB 0.968 29.697 28.738 -0.015 0.000 1.196 523 Q HN 0.956 nan 8.270 nan 0.000 0.402 524 N N 0.874 119.541 118.700 -0.056 0.000 2.407 524 N HA -0.069 4.671 4.740 -0.000 0.000 0.182 524 N C -0.322 175.131 175.510 -0.094 0.000 1.079 524 N CA 0.076 53.076 53.050 -0.083 0.000 0.882 524 N CB 0.431 38.837 38.487 -0.136 0.000 1.106 524 N HN 0.355 nan 8.380 nan 0.000 0.461 525 E N -0.510 119.637 120.200 -0.087 0.000 2.971 525 E HA -0.195 4.155 4.350 -0.000 0.000 0.278 525 E C 0.509 177.048 176.600 -0.101 0.000 1.009 525 E CA 0.472 56.831 56.400 -0.068 0.000 0.862 525 E CB -1.925 27.757 29.700 -0.029 0.000 1.436 525 E HN 0.526 nan 8.360 nan 0.000 0.434 526 L N -0.171 120.924 121.223 -0.213 0.000 2.240 526 L HA 0.049 4.389 4.340 -0.000 0.000 0.211 526 L C 1.116 177.857 176.870 -0.214 0.000 1.106 526 L CA 0.697 55.321 54.840 -0.360 0.000 0.793 526 L CB -0.194 41.319 42.059 -0.909 0.000 0.927 526 L HN 0.131 nan 8.230 nan 0.000 0.446 527 R N -0.697 119.720 120.500 -0.138 0.000 3.225 527 R HA -0.234 4.106 4.340 -0.000 0.000 0.245 527 R C 0.690 177.094 176.300 0.172 0.000 0.928 527 R CA 0.395 56.500 56.100 0.009 0.000 0.632 527 R CB -2.652 27.669 30.300 0.035 0.000 1.038 527 R HN 0.348 nan 8.270 nan 0.000 0.461 528 F N 1.197 121.151 119.950 0.006 0.000 2.546 528 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 528 F C 2.356 178.159 175.800 0.005 0.000 1.120 528 F CA 0.547 58.551 58.000 0.006 0.000 1.456 528 F CB 0.092 39.095 39.000 0.006 0.000 1.088 528 F HN 0.299 nan 8.300 nan 0.000 0.572 529 E N 0.721 121.034 120.200 0.188 0.000 2.435 529 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 529 E C 0.856 177.505 176.600 0.081 0.000 1.029 529 E CA 0.714 57.177 56.400 0.106 0.000 0.865 529 E CB -0.307 29.436 29.700 0.071 0.000 0.833 529 E HN 0.574 nan 8.360 nan 0.000 0.510 530 E N 0.605 120.864 120.200 0.098 0.000 2.364 530 E HA 0.179 4.528 4.350 -0.000 0.000 0.203 530 E C 2.023 178.668 176.600 0.073 0.000 0.888 530 E CA -0.169 56.275 56.400 0.072 0.000 0.989 530 E CB 0.308 30.047 29.700 0.064 0.000 0.985 530 E HN 0.071 nan 8.360 nan 0.000 0.499 531 R N 0.230 120.799 120.500 0.114 0.000 2.173 531 R HA 0.125 4.465 4.340 -0.000 0.000 0.208 531 R C 0.002 176.310 176.300 0.013 0.000 1.035 531 R CA 0.314 56.468 56.100 0.088 0.000 1.004 531 R CB 0.256 30.657 30.300 0.169 0.000 0.917 531 R HN -0.031 nan 8.270 nan 0.000 0.462 532 L N 1.514 122.731 121.223 -0.010 0.000 2.282 532 L HA 0.270 4.610 4.340 -0.000 0.000 0.288 532 L C 0.254 177.102 176.870 -0.036 0.000 1.033 532 L CA -0.274 54.513 54.840 -0.088 0.000 0.807 532 L CB 1.181 43.117 42.059 -0.205 0.000 1.209 532 L HN -0.014 nan 8.230 nan 0.000 0.423 533 L N 0.000 121.199 121.223 -0.040 0.000 2.949 533 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 533 L CA 0.000 54.827 54.840 -0.021 0.000 0.813 533 L CB 0.000 42.044 42.059 -0.026 0.000 0.961 533 L HN 0.000 nan 8.230 nan 0.000 0.502