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 2hu5_1_A DATA FIRST_RESID 9 DATA SEQUENCE FSRIVRDVER LIAVEKYSLQ GVVDGDKLLV VGFSEGSVNA YLYDGGETVK DATA SEQUENCE LNREPINSVL DPHYGVGRVI LVRDVSKGAE QHALFKVNTS RPGEEQRLEA DATA SEQUENCE VKPMRILSGV DTGEAVVFTG ATEDRVALYA LDGGGLRELA RLPGFGFVSD DATA SEQUENCE IRGDLIAGLG FFGGGRVSLF TSNLSSGGLR VFDSGEGSFS SASISPGMKV DATA SEQUENCE TAGLETAREA RLVTVDPRDG SVEDLELPSK DFSSYRPTAI TWLGYLPDGR DATA SEQUENCE LAVVARREGR SAVFIDGERV EAPQGNHGRV VLWRGKLVTS HTSLSTPPRI DATA SEQUENCE VSLPSGEPLL EGGLPEDLRR SIAGSRLVWV ESFDGSRVPT YVLESGRAPT DATA SEQUENCE PGPTVVLVHG GPFAEDSDSW DTFAASLAAA GFHVVMPNYR GSTGYGEEWR DATA SEQUENCE LKIIGDPCGG ELEDVSAAAR WARESGLASE LYIMGYSYGG YMTLCALTMK DATA SEQUENCE PGLFKAGVAG ASVVDWEEMY ELSDAAFRNF IEQLTGGSRE IMRSRSPINH DATA SEQUENCE VDRIKEPLAL IHPQNDSRTP LKPLLRLMGE LLARGKTFEA HIIPDAGHAI DATA SEQUENCE NTMEDAVKIL LPAVFFLATQ RER 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.835 175.800 0.058 0.000 0.967 9 F CA 0.000 57.972 58.000 -0.046 0.000 1.383 9 F CB 0.000 38.997 39.000 -0.005 0.000 1.145 10 S N 0.296 116.023 115.700 0.045 0.000 2.447 10 S HA -0.115 4.337 4.470 -0.029 0.000 0.233 10 S C 1.838 176.491 174.600 0.087 0.000 1.006 10 S CA 1.425 59.676 58.200 0.086 0.000 0.957 10 S CB -0.354 62.876 63.200 0.049 0.000 0.773 10 S HN 0.646 nan 8.310 nan 0.000 0.507 11 R N 0.852 121.391 120.500 0.066 0.000 2.075 11 R HA 0.235 4.558 4.340 -0.029 0.000 0.232 11 R C 2.268 178.616 176.300 0.080 0.000 1.126 11 R CA 1.257 57.392 56.100 0.058 0.000 0.963 11 R CB -1.522 28.800 30.300 0.038 0.000 0.858 11 R HN 0.685 nan 8.270 nan 0.000 0.435 12 I N -0.056 120.585 120.570 0.117 0.000 2.091 12 I HA -0.301 3.851 4.170 -0.029 0.000 0.239 12 I C 2.586 178.775 176.117 0.120 0.000 1.061 12 I CA 2.055 63.445 61.300 0.149 0.000 1.317 12 I CB -0.578 37.589 38.000 0.278 0.000 1.031 12 I HN 0.187 nan 8.210 nan 0.000 0.401 13 V N 0.831 120.843 119.914 0.164 0.000 2.407 13 V HA -0.316 3.786 4.120 -0.029 0.000 0.248 13 V C 2.653 178.770 176.094 0.039 0.000 1.055 13 V CA 2.282 64.624 62.300 0.069 0.000 1.049 13 V CB -0.484 31.407 31.823 0.114 0.000 0.662 13 V HN 0.407 nan 8.190 nan 0.000 0.455 14 R N 0.274 120.807 120.500 0.056 0.000 2.073 14 R HA -0.147 4.175 4.340 -0.029 0.000 0.234 14 R C 2.021 178.342 176.300 0.036 0.000 1.134 14 R CA 2.424 58.547 56.100 0.039 0.000 0.952 14 R CB -0.729 29.595 30.300 0.040 0.000 0.850 14 R HN 0.594 nan 8.270 nan 0.000 0.433 15 D N -0.417 120.011 120.400 0.045 0.000 2.097 15 D HA -0.141 4.482 4.640 -0.029 0.000 0.195 15 D C 1.944 178.272 176.300 0.048 0.000 0.989 15 D CA 1.538 55.568 54.000 0.051 0.000 0.827 15 D CB -0.330 40.506 40.800 0.059 0.000 0.966 15 D HN 0.102 nan 8.370 nan 0.000 0.456 16 V N 1.183 121.113 119.914 0.027 0.000 2.287 16 V HA -0.251 3.851 4.120 -0.029 0.000 0.248 16 V C 2.363 178.463 176.094 0.010 0.000 1.053 16 V CA 1.751 64.054 62.300 0.004 0.000 1.027 16 V CB -0.425 31.360 31.823 -0.063 0.000 0.646 16 V HN 0.214 nan 8.190 nan 0.000 0.447 17 E N -0.385 119.816 120.200 0.002 0.000 2.058 17 E HA -0.239 4.094 4.350 -0.029 0.000 0.194 17 E C 2.497 179.107 176.600 0.016 0.000 0.997 17 E CA 1.379 57.780 56.400 0.002 0.000 0.801 17 E CB -0.142 29.559 29.700 0.002 0.000 0.746 17 E HN 0.525 nan 8.360 nan 0.000 0.450 18 R N 0.175 120.690 120.500 0.026 0.000 2.090 18 R HA -0.051 4.271 4.340 -0.029 0.000 0.228 18 R C 2.453 178.779 176.300 0.043 0.000 1.110 18 R CA 0.659 56.775 56.100 0.026 0.000 0.973 18 R CB -0.164 30.154 30.300 0.029 0.000 0.869 18 R HN 0.152 nan 8.270 nan 0.000 0.440 19 L N 0.299 121.573 121.223 0.085 0.000 2.017 19 L HA -0.192 4.131 4.340 -0.029 0.000 0.208 19 L C 2.287 179.242 176.870 0.142 0.000 1.073 19 L CA 1.339 56.277 54.840 0.164 0.000 0.745 19 L CB -0.304 41.885 42.059 0.216 0.000 0.894 19 L HN 0.170 nan 8.230 nan 0.000 0.432 20 I N -0.343 120.281 120.570 0.089 0.000 2.226 20 I HA -0.287 3.865 4.170 -0.029 0.000 0.245 20 I C 2.630 178.750 176.117 0.005 0.000 1.100 20 I CA 1.282 62.615 61.300 0.055 0.000 1.374 20 I CB -0.313 37.704 38.000 0.029 0.000 1.057 20 I HN 0.199 nan 8.210 nan 0.000 0.413 21 A N 0.094 122.910 122.820 -0.007 0.000 2.066 21 A HA 0.022 4.324 4.320 -0.029 0.000 0.218 21 A C 1.240 178.783 177.584 -0.069 0.000 1.157 21 A CA 0.265 52.282 52.037 -0.035 0.000 0.670 21 A CB -0.600 18.387 19.000 -0.022 0.000 0.804 21 A HN 0.143 nan 8.150 nan 0.000 0.453 22 V N 1.995 121.860 119.914 -0.081 0.000 2.557 22 V HA -0.021 4.081 4.120 -0.029 0.000 0.301 22 V C 0.255 176.225 176.094 -0.206 0.000 1.026 22 V CA 0.016 62.230 62.300 -0.143 0.000 1.137 22 V CB -0.019 31.683 31.823 -0.203 0.000 0.917 22 V HN 0.576 nan 8.190 nan 0.000 0.484 23 E N 4.341 124.409 120.200 -0.220 0.000 2.413 23 E HA 0.292 4.625 4.350 -0.029 0.000 0.263 23 E C -0.418 175.884 176.600 -0.497 0.000 1.015 23 E CA 0.245 56.422 56.400 -0.372 0.000 0.916 23 E CB 0.456 29.957 29.700 -0.332 0.000 0.947 23 E HN 0.570 nan 8.360 nan 0.000 0.440 24 K N 2.125 122.124 120.400 -0.668 0.000 2.443 24 K HA 0.439 4.742 4.320 -0.029 0.000 0.252 24 K C -1.386 174.824 176.600 -0.650 0.000 0.933 24 K CA -0.641 55.338 56.287 -0.513 0.000 0.792 24 K CB 1.454 33.767 32.500 -0.312 0.000 1.185 24 K HN 0.393 nan 8.250 nan 0.000 0.425 25 Y N 0.235 120.443 120.300 -0.154 0.000 2.462 25 Y HA 0.388 4.920 4.550 -0.029 0.000 0.346 25 Y C 0.033 175.856 175.900 -0.128 0.000 0.976 25 Y CA -0.800 57.217 58.100 -0.139 0.000 1.044 25 Y CB 2.479 40.828 38.460 -0.186 0.000 1.230 25 Y HN 0.621 nan 8.280 nan 0.000 0.455 26 S N 2.487 118.217 115.700 0.050 0.000 2.536 26 S HA 0.683 5.135 4.470 -0.029 0.000 0.298 26 S C -1.581 172.994 174.600 -0.040 0.000 1.083 26 S CA -0.837 57.351 58.200 -0.020 0.000 0.995 26 S CB 1.806 64.982 63.200 -0.040 0.000 1.058 26 S HN 0.580 nan 8.310 nan 0.000 0.488 27 L N 2.537 123.699 121.223 -0.100 0.000 2.265 27 L HA 0.511 4.834 4.340 -0.029 0.000 0.288 27 L C 0.743 177.526 176.870 -0.145 0.000 1.058 27 L CA 0.206 54.960 54.840 -0.143 0.000 0.809 27 L CB 0.949 42.895 42.059 -0.189 0.000 1.179 27 L HN 0.805 nan 8.230 nan 0.000 0.429 28 Q N 3.752 123.482 119.800 -0.117 0.000 2.423 28 Q HA 0.493 4.815 4.340 -0.029 0.000 0.231 28 Q C 0.682 176.614 176.000 -0.113 0.000 0.894 28 Q CA 0.693 56.442 55.803 -0.091 0.000 0.938 28 Q CB 1.041 29.750 28.738 -0.047 0.000 1.079 28 Q HN 0.921 nan 8.270 nan 0.000 0.552 29 G N -0.579 108.126 108.800 -0.158 0.000 2.373 29 G HA2 0.211 4.153 3.960 -0.029 0.000 0.250 29 G HA3 0.211 4.153 3.960 -0.029 0.000 0.250 29 G C -1.759 172.993 174.900 -0.246 0.000 1.304 29 G CA -0.421 44.535 45.100 -0.239 0.000 0.948 29 G HN -0.093 nan 8.290 nan 0.000 0.474 30 V N 0.943 120.653 119.914 -0.340 0.000 2.531 30 V HA 0.762 4.865 4.120 -0.029 0.000 0.301 30 V C 0.451 176.495 176.094 -0.084 0.000 1.034 30 V CA 0.077 62.270 62.300 -0.179 0.000 0.865 30 V CB 0.913 32.654 31.823 -0.136 0.000 0.995 30 V HN 1.711 nan 8.190 nan 0.000 0.424 31 V N 0.874 120.792 119.914 0.007 0.000 3.084 31 V HA 0.756 4.859 4.120 -0.029 0.000 0.311 31 V C 0.345 176.481 176.094 0.071 0.000 1.311 31 V CA -0.560 61.763 62.300 0.038 0.000 1.062 31 V CB 1.541 33.375 31.823 0.020 0.000 1.113 31 V HN 0.741 nan 8.190 nan 0.000 0.468 32 D N -0.258 120.180 120.400 0.064 0.000 2.782 32 D HA 0.011 4.634 4.640 -0.029 0.000 0.231 32 D C 0.987 177.335 176.300 0.080 0.000 1.163 32 D CA 2.668 56.707 54.000 0.064 0.000 0.680 32 D CB -1.177 39.657 40.800 0.057 0.000 1.062 32 D HN 2.161 nan 8.370 nan 0.000 0.425 33 G N -0.075 108.781 108.800 0.093 0.000 4.731 33 G HA2 -0.291 3.652 3.960 -0.029 0.000 0.266 33 G HA3 -0.291 3.652 3.960 -0.029 0.000 0.266 33 G C 0.149 175.133 174.900 0.141 0.000 1.635 33 G CA 0.273 45.434 45.100 0.102 0.000 1.229 33 G HN 0.561 nan 8.290 nan 0.000 0.663 34 D N 1.388 121.887 120.400 0.165 0.000 3.100 34 D HA 0.360 4.983 4.640 -0.029 0.000 0.350 34 D C -0.396 176.154 176.300 0.416 0.000 1.310 34 D CA -0.105 54.046 54.000 0.252 0.000 0.741 34 D CB -0.079 40.804 40.800 0.139 0.000 1.248 34 D HN 0.480 nan 8.370 nan 0.000 0.527 35 K N 0.742 121.324 120.400 0.304 0.000 2.324 35 K HA 0.450 4.752 4.320 -0.029 0.000 0.253 35 K C -0.028 176.598 176.600 0.043 0.000 0.932 35 K CA -0.903 55.528 56.287 0.240 0.000 0.799 35 K CB 2.660 35.239 32.500 0.131 0.000 1.154 35 K HN 0.062 nan 8.250 nan 0.000 0.425 36 L N 3.173 124.280 121.223 -0.194 0.000 2.453 36 L HA 0.121 4.444 4.340 -0.029 0.000 0.272 36 L C -0.141 176.660 176.870 -0.116 0.000 1.182 36 L CA -0.469 54.201 54.840 -0.283 0.000 0.858 36 L CB 0.141 41.894 42.059 -0.510 0.000 1.120 36 L HN 0.352 nan 8.230 nan 0.000 0.474 37 L N 5.883 127.042 121.223 -0.107 0.000 2.287 37 L HA 0.537 4.860 4.340 -0.029 0.000 0.287 37 L C -0.311 176.525 176.870 -0.055 0.000 1.022 37 L CA -0.256 54.554 54.840 -0.049 0.000 0.814 37 L CB 1.529 43.562 42.059 -0.043 0.000 1.217 37 L HN 0.346 nan 8.230 nan 0.000 0.420 38 V N 3.463 123.382 119.914 0.009 0.000 2.914 38 V HA 0.755 4.857 4.120 -0.029 0.000 0.314 38 V C -0.801 175.374 176.094 0.135 0.000 1.084 38 V CA -0.744 61.580 62.300 0.040 0.000 0.963 38 V CB 1.927 33.761 31.823 0.018 0.000 1.025 38 V HN 0.426 nan 8.190 nan 0.000 0.432 39 V N 3.055 123.035 119.914 0.111 0.000 2.435 39 V HA 0.853 4.955 4.120 -0.029 0.000 0.290 39 V C 0.806 176.996 176.094 0.161 0.000 1.030 39 V CA 0.484 62.858 62.300 0.123 0.000 0.881 39 V CB 1.332 33.174 31.823 0.033 0.000 0.983 39 V HN 1.321 nan 8.190 nan 0.000 0.445 40 G N 1.967 110.905 108.800 0.230 0.000 2.590 40 G HA2 0.470 4.413 3.960 -0.029 0.000 0.310 40 G HA3 0.470 4.413 3.960 -0.029 0.000 0.310 40 G C -1.105 173.757 174.900 -0.063 0.000 1.347 40 G CA -0.466 44.608 45.100 -0.043 0.000 0.963 40 G HN 0.445 nan 8.290 nan 0.000 0.494 41 F N 2.321 122.138 119.950 -0.221 0.000 2.462 41 F HA 0.608 5.117 4.527 -0.029 0.000 0.360 41 F C 0.680 176.342 175.800 -0.229 0.000 1.134 41 F CA -0.282 57.619 58.000 -0.165 0.000 1.148 41 F CB 0.206 39.112 39.000 -0.156 0.000 1.147 41 F HN 0.755 nan 8.300 nan 0.000 0.550 42 S N 3.205 118.846 115.700 -0.099 0.000 2.543 42 S HA 0.485 4.937 4.470 -0.029 0.000 0.274 42 S C -0.077 174.533 174.600 0.017 0.000 1.149 42 S CA 0.452 58.601 58.200 -0.086 0.000 0.866 42 S CB 1.430 64.554 63.200 -0.126 0.000 1.111 42 S HN 2.017 nan 8.310 nan 0.000 0.457 43 E N 0.803 121.004 120.200 0.002 0.000 2.476 43 E HA -0.058 4.274 4.350 -0.029 0.000 0.251 43 E C 1.688 178.295 176.600 0.010 0.000 1.130 43 E CA 1.865 58.278 56.400 0.022 0.000 0.736 43 E CB -2.656 27.082 29.700 0.064 0.000 1.298 43 E HN 2.681 nan 8.360 nan 0.000 0.400 44 G N -2.554 106.240 108.800 -0.009 0.000 2.175 44 G HA2 0.186 4.128 3.960 -0.029 0.000 0.244 44 G HA3 0.186 4.128 3.960 -0.029 0.000 0.244 44 G C 0.721 175.611 174.900 -0.015 0.000 0.982 44 G CA 1.423 46.516 45.100 -0.013 0.000 0.641 44 G HN 2.516 nan 8.290 nan 0.000 0.527 45 S N -2.429 113.263 115.700 -0.013 0.000 2.636 45 S HA 0.635 5.088 4.470 -0.029 0.000 0.266 45 S C -0.773 173.818 174.600 -0.014 0.000 1.147 45 S CA -0.257 57.932 58.200 -0.017 0.000 0.815 45 S CB 1.921 65.110 63.200 -0.018 0.000 1.119 45 S HN 1.265 nan 8.310 nan 0.000 0.470 46 V N 2.727 122.627 119.914 -0.023 0.000 2.488 46 V HA 0.500 4.603 4.120 -0.029 0.000 0.277 46 V C -0.207 175.864 176.094 -0.040 0.000 1.046 46 V CA -0.189 62.097 62.300 -0.023 0.000 0.986 46 V CB 0.254 32.061 31.823 -0.026 0.000 0.989 46 V HN 0.798 nan 8.190 nan 0.000 0.475 47 N N 2.341 121.021 118.700 -0.034 0.000 2.525 47 N HA 0.709 5.432 4.740 -0.029 0.000 0.270 47 N C -0.783 174.574 175.510 -0.255 0.000 1.321 47 N CA -0.493 52.438 53.050 -0.197 0.000 0.797 47 N CB 2.509 40.792 38.487 -0.339 0.000 1.529 47 N HN 0.671 nan 8.380 nan 0.000 0.491 48 A N 0.920 123.510 122.820 -0.383 0.000 2.305 48 A HA 0.747 5.050 4.320 -0.029 0.000 0.322 48 A C -1.520 175.764 177.584 -0.500 0.000 1.187 48 A CA -0.260 51.616 52.037 -0.269 0.000 0.825 48 A CB 0.288 19.204 19.000 -0.141 0.000 1.164 48 A HN 0.597 nan 8.150 nan 0.000 0.498 49 Y N 0.493 120.802 120.300 0.015 0.000 2.545 49 Y HA 0.545 5.078 4.550 -0.029 0.000 0.348 49 Y C -0.184 175.721 175.900 0.009 0.000 1.002 49 Y CA -0.721 57.392 58.100 0.022 0.000 1.039 49 Y CB 1.889 40.380 38.460 0.051 0.000 1.271 49 Y HN 0.546 nan 8.280 nan 0.000 0.467 50 L N 2.565 123.892 121.223 0.174 0.000 2.325 50 L HA 0.420 4.743 4.340 -0.029 0.000 0.279 50 L C -1.185 175.766 176.870 0.134 0.000 1.054 50 L CA -0.824 54.080 54.840 0.107 0.000 0.804 50 L CB 1.091 43.190 42.059 0.066 0.000 1.200 50 L HN 0.617 nan 8.230 nan 0.000 0.436 51 Y N 1.970 122.218 120.300 -0.088 0.000 2.391 51 Y HA 0.336 4.869 4.550 -0.029 0.000 0.341 51 Y C -0.648 175.184 175.900 -0.114 0.000 0.965 51 Y CA -0.534 57.478 58.100 -0.146 0.000 1.067 51 Y CB 1.740 40.025 38.460 -0.291 0.000 1.199 51 Y HN 0.531 nan 8.280 nan 0.000 0.450 52 D N 3.563 123.673 120.400 -0.484 0.000 2.940 52 D HA 0.285 4.908 4.640 -0.029 0.000 0.366 52 D C 0.761 176.933 176.300 -0.214 0.000 1.446 52 D CA 0.738 54.683 54.000 -0.092 0.000 0.780 52 D CB 0.111 40.947 40.800 0.061 0.000 1.206 52 D HN 0.961 nan 8.370 nan 0.000 0.454 53 G N -0.950 107.352 108.800 -0.829 0.000 2.218 53 G HA2 -0.105 3.837 3.960 -0.029 0.000 0.216 53 G HA3 -0.105 3.837 3.960 -0.029 0.000 0.216 53 G C 0.761 175.466 174.900 -0.326 0.000 0.994 53 G CA 0.150 45.050 45.100 -0.333 0.000 0.637 53 G HN 0.709 nan 8.290 nan 0.000 0.505 54 G N -0.600 107.925 108.800 -0.459 0.000 3.382 54 G HA2 0.555 4.497 3.960 -0.029 0.000 0.183 54 G HA3 0.555 4.497 3.960 -0.029 0.000 0.183 54 G C -0.710 174.114 174.900 -0.128 0.000 1.246 54 G CA -0.016 44.976 45.100 -0.180 0.000 0.828 54 G HN 0.238 nan 8.290 nan 0.000 0.728 55 E N 1.644 121.799 120.200 -0.074 0.000 2.366 55 E HA 0.343 4.675 4.350 -0.029 0.000 0.266 55 E C 0.314 176.908 176.600 -0.010 0.000 1.051 55 E CA -0.118 56.271 56.400 -0.019 0.000 0.884 55 E CB 1.104 30.801 29.700 -0.005 0.000 1.006 55 E HN 0.536 nan 8.360 nan 0.000 0.417 56 T N -1.711 112.864 114.554 0.035 0.000 2.918 56 T HA 0.283 4.616 4.350 -0.029 0.000 0.302 56 T C 0.327 175.114 174.700 0.144 0.000 1.045 56 T CA -0.766 61.387 62.100 0.088 0.000 1.114 56 T CB 0.621 69.472 68.868 -0.028 0.000 0.965 56 T HN 0.101 nan 8.240 nan 0.000 0.540 57 V N 2.976 123.002 119.914 0.188 0.000 2.378 57 V HA 0.369 4.471 4.120 -0.029 0.000 0.288 57 V C 0.475 176.683 176.094 0.190 0.000 1.016 57 V CA -1.028 61.365 62.300 0.155 0.000 0.840 57 V CB 1.438 33.306 31.823 0.075 0.000 0.994 57 V HN 0.950 nan 8.190 nan 0.000 0.431 58 K N 3.711 124.201 120.400 0.149 0.000 2.416 58 K HA 0.270 4.572 4.320 -0.029 0.000 0.283 58 K C 0.510 177.035 176.600 -0.124 0.000 1.037 58 K CA -0.140 56.084 56.287 -0.105 0.000 0.995 58 K CB 0.699 33.156 32.500 -0.073 0.000 0.938 58 K HN 0.619 nan 8.250 nan 0.000 0.475 59 L N 3.229 124.333 121.223 -0.198 0.000 2.202 59 L HA -0.055 4.267 4.340 -0.029 0.000 0.205 59 L C 1.141 177.940 176.870 -0.119 0.000 1.083 59 L CA 0.219 54.989 54.840 -0.116 0.000 0.790 59 L CB -0.249 41.754 42.059 -0.094 0.000 0.942 59 L HN 0.716 nan 8.230 nan 0.000 0.452 60 N N -0.574 118.021 118.700 -0.174 0.000 2.447 60 N HA 0.159 4.881 4.740 -0.029 0.000 0.271 60 N C 0.369 175.794 175.510 -0.142 0.000 1.226 60 N CA -0.490 52.467 53.050 -0.155 0.000 0.980 60 N CB 1.413 39.792 38.487 -0.181 0.000 1.206 60 N HN -0.022 nan 8.380 nan 0.000 0.558 61 R N -0.457 119.957 120.500 -0.142 0.000 1.950 61 R HA 0.155 4.478 4.340 -0.029 0.000 0.200 61 R C 0.075 176.300 176.300 -0.124 0.000 1.476 61 R CA 0.090 56.119 56.100 -0.119 0.000 1.145 61 R CB -0.304 29.927 30.300 -0.114 0.000 0.942 61 R HN 0.640 nan 8.270 nan 0.000 0.484 62 E N 1.554 121.663 120.200 -0.153 0.000 2.371 62 E HA 0.198 4.531 4.350 -0.029 0.000 0.257 62 E C -2.228 174.290 176.600 -0.136 0.000 1.134 62 E CA -1.979 54.341 56.400 -0.134 0.000 0.919 62 E CB -0.082 29.529 29.700 -0.148 0.000 1.025 62 E HN 0.070 nan 8.360 nan 0.000 0.438 63 P HA 0.020 nan 4.420 nan 0.000 0.267 63 P C -0.210 177.036 177.300 -0.090 0.000 1.201 63 P CA 0.471 63.521 63.100 -0.083 0.000 0.775 63 P CB 0.340 32.010 31.700 -0.049 0.000 0.854 64 I N -1.528 118.998 120.570 -0.073 0.000 3.436 64 I HA 0.480 4.633 4.170 -0.029 0.000 0.300 64 I C 0.301 176.406 176.117 -0.019 0.000 1.131 64 I CA -0.847 60.420 61.300 -0.054 0.000 1.001 64 I CB 2.030 39.987 38.000 -0.071 0.000 1.305 64 I HN 0.037 nan 8.210 nan 0.000 0.494 65 N N -0.432 118.262 118.700 -0.010 0.000 2.510 65 N HA 0.177 4.900 4.740 -0.029 0.000 0.186 65 N C -0.457 175.037 175.510 -0.027 0.000 1.051 65 N CA 0.618 53.663 53.050 -0.007 0.000 0.877 65 N CB 0.605 39.090 38.487 -0.003 0.000 1.183 65 N HN 0.849 nan 8.380 nan 0.000 0.443 66 S N -1.226 114.448 115.700 -0.043 0.000 2.655 66 S HA 0.560 5.012 4.470 -0.029 0.000 0.266 66 S C -1.348 173.235 174.600 -0.028 0.000 1.149 66 S CA -0.941 57.239 58.200 -0.033 0.000 0.818 66 S CB 0.877 64.059 63.200 -0.031 0.000 1.130 66 S HN 0.032 nan 8.310 nan 0.000 0.476 67 V N -0.996 118.911 119.914 -0.013 0.000 3.001 67 V HA 0.753 4.856 4.120 -0.029 0.000 0.314 67 V C -0.529 175.574 176.094 0.014 0.000 1.099 67 V CA -1.226 61.071 62.300 -0.004 0.000 0.989 67 V CB 1.198 33.017 31.823 -0.006 0.000 1.040 67 V HN 0.995 nan 8.190 nan 0.000 0.434 68 L N 1.319 122.555 121.223 0.022 0.000 2.418 68 L HA 0.426 4.749 4.340 -0.029 0.000 0.265 68 L C -0.122 176.786 176.870 0.062 0.000 1.143 68 L CA -0.512 54.360 54.840 0.053 0.000 0.809 68 L CB 0.534 42.624 42.059 0.053 0.000 1.124 68 L HN 0.670 nan 8.230 nan 0.000 0.456 69 D N 3.213 123.670 120.400 0.096 0.000 2.412 69 D HA 0.117 4.740 4.640 -0.029 0.000 0.257 69 D C -2.156 174.211 176.300 0.111 0.000 1.217 69 D CA -0.841 53.223 54.000 0.106 0.000 0.897 69 D CB 0.360 41.258 40.800 0.163 0.000 1.132 69 D HN 0.207 nan 8.370 nan 0.000 0.493 70 P HA 0.114 nan 4.420 nan 0.000 0.284 70 P C -0.172 177.240 177.300 0.186 0.000 1.253 70 P CA -0.317 62.839 63.100 0.093 0.000 0.800 70 P CB 0.889 32.610 31.700 0.035 0.000 0.961 71 H N 1.065 120.183 119.070 0.080 0.000 2.871 71 H HA 0.018 4.556 4.556 -0.029 0.000 0.355 71 H C 0.121 175.526 175.328 0.129 0.000 1.092 71 H CA -0.191 55.939 56.048 0.136 0.000 1.420 71 H CB 0.196 30.041 29.762 0.139 0.000 1.400 71 H HN 0.395 nan 8.280 nan 0.000 0.604 72 Y N 0.523 120.907 120.300 0.140 0.000 2.810 72 Y HA -0.102 4.431 4.550 -0.029 0.000 0.332 72 Y C 1.575 177.543 175.900 0.113 0.000 1.243 72 Y CA 1.626 59.791 58.100 0.109 0.000 1.537 72 Y CB 0.211 38.713 38.460 0.071 0.000 1.265 72 Y HN 1.024 nan 8.280 nan 0.000 0.572 73 G N 1.553 110.472 108.800 0.198 0.000 2.184 73 G HA2 -0.277 3.665 3.960 -0.029 0.000 0.264 73 G HA3 -0.277 3.665 3.960 -0.029 0.000 0.264 73 G C -0.011 174.963 174.900 0.122 0.000 0.975 73 G CA 0.026 45.223 45.100 0.162 0.000 0.642 73 G HN 1.060 nan 8.290 nan 0.000 0.536 74 V N -1.230 118.755 119.914 0.118 0.000 2.843 74 V HA 0.665 4.767 4.120 -0.029 0.000 0.305 74 V C 1.441 177.576 176.094 0.068 0.000 1.065 74 V CA 0.613 62.969 62.300 0.094 0.000 1.116 74 V CB 1.459 33.337 31.823 0.093 0.000 0.968 74 V HN 1.113 nan 8.190 nan 0.000 0.487 75 G N 4.195 113.030 108.800 0.057 0.000 3.383 75 G HA2 0.396 4.339 3.960 -0.029 0.000 0.251 75 G HA3 0.396 4.339 3.960 -0.029 0.000 0.251 75 G C 0.446 175.368 174.900 0.036 0.000 1.203 75 G CA -0.034 45.094 45.100 0.046 0.000 0.852 75 G HN 1.126 nan 8.290 nan 0.000 0.531 76 R N -2.341 118.180 120.500 0.035 0.000 2.766 76 R HA 0.705 5.028 4.340 -0.029 0.000 0.270 76 R C -2.318 173.997 176.300 0.024 0.000 1.035 76 R CA -0.711 55.405 56.100 0.027 0.000 0.911 76 R CB 1.356 31.671 30.300 0.025 0.000 1.243 76 R HN -0.108 nan 8.270 nan 0.000 0.460 77 V N 1.894 121.819 119.914 0.018 0.000 2.760 77 V HA 0.432 4.535 4.120 -0.029 0.000 0.309 77 V C -0.760 175.344 176.094 0.016 0.000 1.077 77 V CA -0.947 61.361 62.300 0.014 0.000 0.910 77 V CB 2.144 33.969 31.823 0.003 0.000 1.008 77 V HN 0.569 nan 8.190 nan 0.000 0.424 78 I N 5.478 126.056 120.570 0.013 0.000 2.307 78 I HA 0.394 4.546 4.170 -0.029 0.000 0.289 78 I C -0.006 176.120 176.117 0.016 0.000 1.021 78 I CA -0.270 61.036 61.300 0.010 0.000 1.224 78 I CB 1.113 39.105 38.000 -0.014 0.000 1.376 78 I HN 0.403 nan 8.210 nan 0.000 0.470 79 L N 6.475 127.729 121.223 0.052 0.000 2.371 79 L HA 0.442 4.764 4.340 -0.029 0.000 0.272 79 L C -0.040 176.883 176.870 0.088 0.000 1.124 79 L CA -0.730 54.143 54.840 0.056 0.000 0.816 79 L CB 1.124 43.221 42.059 0.062 0.000 1.129 79 L HN 0.213 nan 8.230 nan 0.000 0.448 80 V N 3.517 123.448 119.914 0.029 0.000 2.370 80 V HA 0.485 4.588 4.120 -0.029 0.000 0.283 80 V C -0.029 176.091 176.094 0.044 0.000 1.023 80 V CA -0.583 61.719 62.300 0.004 0.000 0.857 80 V CB 1.337 33.079 31.823 -0.135 0.000 0.985 80 V HN 0.738 nan 8.190 nan 0.000 0.443 81 R N 2.854 123.468 120.500 0.190 0.000 2.561 81 R HA 0.353 4.675 4.340 -0.029 0.000 0.297 81 R C -0.873 175.613 176.300 0.310 0.000 0.969 81 R CA -0.688 55.521 56.100 0.183 0.000 0.879 81 R CB 1.625 31.963 30.300 0.063 0.000 1.178 81 R HN 0.738 nan 8.270 nan 0.000 0.445 82 D N 3.799 124.380 120.400 0.302 0.000 2.401 82 D HA 0.025 4.647 4.640 -0.029 0.000 0.254 82 D C 0.648 177.023 176.300 0.125 0.000 1.192 82 D CA 0.243 54.380 54.000 0.227 0.000 0.885 82 D CB 1.362 42.262 40.800 0.168 0.000 1.147 82 D HN 0.418 nan 8.370 nan 0.000 0.478 83 V N 1.454 121.430 119.914 0.103 0.000 3.214 83 V HA 0.203 4.305 4.120 -0.029 0.000 0.330 83 V C 0.781 176.899 176.094 0.041 0.000 1.403 83 V CA 0.242 62.595 62.300 0.088 0.000 1.143 83 V CB -0.169 31.735 31.823 0.136 0.000 1.098 83 V HN 0.464 nan 8.190 nan 0.000 0.463 84 S N -0.889 114.822 115.700 0.018 0.000 2.843 84 S HA 0.362 4.815 4.470 -0.029 0.000 0.249 84 S C 0.440 175.044 174.600 0.006 0.000 1.047 84 S CA -0.300 57.901 58.200 0.001 0.000 1.042 84 S CB -0.266 62.920 63.200 -0.025 0.000 0.936 84 S HN 0.547 nan 8.310 nan 0.000 0.531 85 K N 0.817 121.227 120.400 0.017 0.000 3.096 85 K HA -0.195 4.108 4.320 -0.029 0.000 0.266 85 K C 0.956 177.571 176.600 0.025 0.000 1.043 85 K CA 0.554 56.853 56.287 0.020 0.000 0.758 85 K CB -1.928 30.581 32.500 0.015 0.000 1.260 85 K HN 1.138 nan 8.250 nan 0.000 0.481 86 G N -1.750 107.068 108.800 0.029 0.000 2.218 86 G HA2 -0.266 3.677 3.960 -0.029 0.000 0.216 86 G HA3 -0.266 3.677 3.960 -0.029 0.000 0.216 86 G C 0.717 175.636 174.900 0.030 0.000 0.994 86 G CA 0.216 45.342 45.100 0.043 0.000 0.637 86 G HN 0.680 nan 8.290 nan 0.000 0.505 87 A N 0.568 123.387 122.820 -0.002 0.000 2.235 87 A HA 0.490 4.792 4.320 -0.029 0.000 0.208 87 A C 1.254 178.793 177.584 -0.074 0.000 1.172 87 A CA 1.774 53.797 52.037 -0.024 0.000 0.786 87 A CB -0.523 18.461 19.000 -0.026 0.000 0.804 87 A HN 1.321 nan 8.150 nan 0.000 0.479 88 E N -0.711 119.408 120.200 -0.135 0.000 2.513 88 E HA -0.160 4.172 4.350 -0.029 0.000 0.257 88 E C -0.886 175.365 176.600 -0.581 0.000 1.098 88 E CA 0.399 56.550 56.400 -0.415 0.000 0.752 88 E CB -1.360 28.263 29.700 -0.128 0.000 1.324 88 E HN 0.641 nan 8.360 nan 0.000 0.403 89 Q N 0.848 120.451 119.800 -0.328 0.000 2.389 89 Q HA 0.215 4.537 4.340 -0.029 0.000 0.244 89 Q C -0.330 175.545 176.000 -0.209 0.000 1.056 89 Q CA 0.404 56.071 55.803 -0.226 0.000 0.908 89 Q CB 0.290 28.974 28.738 -0.090 0.000 1.273 89 Q HN 0.356 nan 8.270 nan 0.000 0.471 90 H N 0.015 119.111 119.070 0.044 0.000 2.472 90 H HA 0.651 5.189 4.556 -0.029 0.000 0.335 90 H C -0.247 175.079 175.328 -0.004 0.000 1.136 90 H CA -0.580 55.496 56.048 0.046 0.000 1.264 90 H CB 1.353 31.142 29.762 0.045 0.000 1.486 90 H HN 0.668 nan 8.280 nan 0.000 0.517 91 A N 2.633 125.547 122.820 0.157 0.000 2.322 91 A HA 0.621 4.924 4.320 -0.029 0.000 0.327 91 A C -0.859 176.651 177.584 -0.123 0.000 1.134 91 A CA -0.813 51.176 52.037 -0.080 0.000 0.831 91 A CB 0.839 19.705 19.000 -0.223 0.000 1.288 91 A HN 0.609 nan 8.150 nan 0.000 0.472 92 L N 0.499 121.493 121.223 -0.383 0.000 2.309 92 L HA 0.612 4.935 4.340 -0.029 0.000 0.282 92 L C -1.399 175.170 176.870 -0.502 0.000 1.036 92 L CA -0.193 54.473 54.840 -0.290 0.000 0.806 92 L CB 1.179 43.042 42.059 -0.328 0.000 1.220 92 L HN 0.616 nan 8.230 nan 0.000 0.429 93 F N 1.454 121.359 119.950 -0.075 0.000 2.539 93 F HA 0.404 4.914 4.527 -0.029 0.000 0.318 93 F C -0.057 175.712 175.800 -0.051 0.000 1.135 93 F CA -0.964 57.003 58.000 -0.055 0.000 0.915 93 F CB 1.794 40.767 39.000 -0.045 0.000 1.176 93 F HN 0.336 nan 8.300 nan 0.000 0.440 94 K N 1.876 122.330 120.400 0.090 0.000 2.143 94 K HA 0.808 5.111 4.320 -0.029 0.000 0.272 94 K C -1.440 175.197 176.600 0.062 0.000 1.001 94 K CA -0.690 55.629 56.287 0.054 0.000 0.915 94 K CB 1.927 34.438 32.500 0.018 0.000 1.047 94 K HN 0.427 nan 8.250 nan 0.000 0.458 95 V N 2.790 122.727 119.914 0.039 0.000 2.407 95 V HA 0.102 4.205 4.120 -0.029 0.000 0.291 95 V C -0.395 175.710 176.094 0.019 0.000 1.018 95 V CA -1.128 61.186 62.300 0.024 0.000 0.842 95 V CB 1.150 32.976 31.823 0.005 0.000 0.996 95 V HN 0.879 nan 8.190 nan 0.000 0.426 96 N N 3.397 122.108 118.700 0.019 0.000 2.440 96 N HA -0.029 4.693 4.740 -0.029 0.000 0.265 96 N C 1.529 177.049 175.510 0.017 0.000 1.239 96 N CA 0.840 53.901 53.050 0.019 0.000 0.909 96 N CB 1.629 40.127 38.487 0.019 0.000 1.066 96 N HN 0.866 nan 8.380 nan 0.000 0.474 97 T N 0.185 114.751 114.554 0.020 0.000 2.929 97 T HA -0.103 4.230 4.350 -0.029 0.000 0.271 97 T C 1.580 176.292 174.700 0.021 0.000 1.085 97 T CA 1.242 63.355 62.100 0.021 0.000 1.125 97 T CB -0.180 68.705 68.868 0.028 0.000 0.874 97 T HN 0.365 nan 8.240 nan 0.000 0.494 98 S N 1.372 117.085 115.700 0.022 0.000 2.453 98 S HA 0.102 4.555 4.470 -0.029 0.000 0.231 98 S C 1.129 175.738 174.600 0.015 0.000 1.005 98 S CA 0.338 58.550 58.200 0.020 0.000 0.949 98 S CB -0.097 63.115 63.200 0.020 0.000 0.774 98 S HN 0.537 nan 8.310 nan 0.000 0.510 99 R N 1.333 121.841 120.500 0.013 0.000 2.748 99 R HA 0.262 4.585 4.340 -0.029 0.000 0.283 99 R C -3.157 173.146 176.300 0.005 0.000 1.507 99 R CA -1.720 54.386 56.100 0.010 0.000 1.666 99 R CB 0.711 31.017 30.300 0.011 0.000 1.237 99 R HN 0.142 nan 8.270 nan 0.000 0.633 100 P HA -0.045 nan 4.420 nan 0.000 0.262 100 P C 0.891 178.182 177.300 -0.014 0.000 1.182 100 P CA 1.186 64.283 63.100 -0.006 0.000 0.761 100 P CB 0.678 32.378 31.700 -0.000 0.000 0.795 101 G N 1.717 110.500 108.800 -0.028 0.000 2.176 101 G HA2 -0.217 3.725 3.960 -0.029 0.000 0.253 101 G HA3 -0.217 3.725 3.960 -0.029 0.000 0.253 101 G C -0.142 174.744 174.900 -0.024 0.000 0.979 101 G CA -0.340 44.739 45.100 -0.035 0.000 0.641 101 G HN 0.572 nan 8.290 nan 0.000 0.530 102 E N 0.800 120.994 120.200 -0.011 0.000 2.133 102 E HA 0.484 4.817 4.350 -0.029 0.000 0.274 102 E C -0.413 176.196 176.600 0.015 0.000 0.930 102 E CA -0.399 56.002 56.400 0.002 0.000 0.770 102 E CB 1.312 31.016 29.700 0.008 0.000 1.104 102 E HN 0.511 nan 8.360 nan 0.000 0.403 103 E N 2.310 122.527 120.200 0.029 0.000 2.199 103 E HA 0.235 4.567 4.350 -0.029 0.000 0.269 103 E C -0.886 175.783 176.600 0.115 0.000 0.899 103 E CA -0.615 55.830 56.400 0.075 0.000 0.772 103 E CB 2.377 32.109 29.700 0.054 0.000 1.155 103 E HN 0.282 nan 8.360 nan 0.000 0.408 104 Q N 2.760 122.639 119.800 0.132 0.000 2.320 104 Q HA 0.248 4.570 4.340 -0.029 0.000 0.268 104 Q C -0.939 175.103 176.000 0.069 0.000 1.023 104 Q CA -0.719 55.140 55.803 0.094 0.000 0.744 104 Q CB 1.494 30.254 28.738 0.037 0.000 1.246 104 Q HN 0.389 nan 8.270 nan 0.000 0.462 105 R N 3.627 124.143 120.500 0.027 0.000 2.538 105 R HA 0.074 4.397 4.340 -0.029 0.000 0.282 105 R C -0.519 175.623 176.300 -0.263 0.000 1.009 105 R CA 0.129 56.016 56.100 -0.354 0.000 1.063 105 R CB 0.357 30.451 30.300 -0.343 0.000 0.945 105 R HN 0.602 nan 8.270 nan 0.000 0.414 106 L N 5.878 126.900 121.223 -0.336 0.000 2.401 106 L HA 0.085 4.408 4.340 -0.029 0.000 0.283 106 L C 0.960 177.702 176.870 -0.213 0.000 1.151 106 L CA -0.125 54.585 54.840 -0.216 0.000 0.942 106 L CB 0.705 42.642 42.059 -0.202 0.000 1.283 106 L HN 0.723 nan 8.230 nan 0.000 0.442 107 E N 2.107 122.217 120.200 -0.151 0.000 2.347 107 E HA -0.115 4.217 4.350 -0.029 0.000 0.196 107 E C 1.929 178.476 176.600 -0.089 0.000 1.008 107 E CA 0.886 57.213 56.400 -0.123 0.000 0.852 107 E CB 0.368 30.019 29.700 -0.081 0.000 0.783 107 E HN 0.772 nan 8.360 nan 0.000 0.505 108 A N 1.083 123.861 122.820 -0.070 0.000 2.119 108 A HA -0.015 4.288 4.320 -0.029 0.000 0.217 108 A C 1.340 178.897 177.584 -0.045 0.000 1.153 108 A CA 0.352 52.366 52.037 -0.038 0.000 0.692 108 A CB 0.150 19.144 19.000 -0.010 0.000 0.799 108 A HN 0.020 nan 8.150 nan 0.000 0.458 109 V N 2.790 122.651 119.914 -0.088 0.000 2.304 109 V HA 0.125 4.228 4.120 -0.029 0.000 0.262 109 V C 0.426 176.442 176.094 -0.129 0.000 1.061 109 V CA -0.937 61.295 62.300 -0.113 0.000 0.872 109 V CB 0.226 31.935 31.823 -0.190 0.000 1.077 109 V HN 0.626 nan 8.190 nan 0.000 0.480 110 K N 5.069 125.413 120.400 -0.093 0.000 2.518 110 K HA 0.142 4.445 4.320 -0.029 0.000 0.276 110 K C -2.538 174.016 176.600 -0.077 0.000 0.974 110 K CA -1.103 55.140 56.287 -0.074 0.000 0.986 110 K CB -0.136 32.335 32.500 -0.048 0.000 0.901 110 K HN 0.283 nan 8.250 nan 0.000 0.497 111 P HA -0.090 nan 4.420 nan 0.000 0.262 111 P C -0.678 176.607 177.300 -0.026 0.000 1.182 111 P CA 0.586 63.663 63.100 -0.038 0.000 0.761 111 P CB 0.384 32.069 31.700 -0.024 0.000 0.795 112 M N 0.351 119.948 119.600 -0.005 0.000 2.813 112 M HA 0.482 4.945 4.480 -0.029 0.000 0.270 112 M C -0.783 175.558 176.300 0.069 0.000 1.267 112 M CA -1.253 54.062 55.300 0.024 0.000 0.822 112 M CB 2.277 34.900 32.600 0.039 0.000 1.671 112 M HN -0.108 nan 8.290 nan 0.000 0.468 113 R N 1.968 122.524 120.500 0.093 0.000 2.309 113 R HA 0.349 4.671 4.340 -0.029 0.000 0.331 113 R C -1.002 175.489 176.300 0.317 0.000 1.116 113 R CA -0.330 55.886 56.100 0.194 0.000 0.970 113 R CB 0.120 30.521 30.300 0.169 0.000 1.024 113 R HN 0.628 nan 8.270 nan 0.000 0.472 114 I N 7.225 128.094 120.570 0.499 0.000 2.452 114 I HA -0.050 4.102 4.170 -0.029 0.000 0.287 114 I C 1.237 177.517 176.117 0.272 0.000 1.079 114 I CA 0.217 61.699 61.300 0.303 0.000 1.387 114 I CB 1.233 39.302 38.000 0.116 0.000 1.404 114 I HN 0.770 nan 8.210 nan 0.000 0.522 115 L N 4.917 126.304 121.223 0.272 0.000 2.408 115 L HA 0.078 4.401 4.340 -0.029 0.000 0.215 115 L C 0.691 177.791 176.870 0.383 0.000 1.081 115 L CA 0.399 55.417 54.840 0.297 0.000 0.840 115 L CB -0.008 42.108 42.059 0.094 0.000 1.002 115 L HN 0.828 nan 8.230 nan 0.000 0.468 116 S N -1.508 114.389 115.700 0.329 0.000 2.633 116 S HA 0.694 5.147 4.470 -0.029 0.000 0.271 116 S C -0.770 174.022 174.600 0.320 0.000 1.112 116 S CA -0.178 58.233 58.200 0.351 0.000 0.828 116 S CB 1.432 64.914 63.200 0.471 0.000 1.086 116 S HN 0.161 nan 8.310 nan 0.000 0.461 117 G N -0.254 108.710 108.800 0.273 0.000 2.489 117 G HA2 0.566 4.509 3.960 -0.029 0.000 0.291 117 G HA3 0.566 4.509 3.960 -0.029 0.000 0.291 117 G C -2.055 172.968 174.900 0.206 0.000 1.487 117 G CA -0.125 45.142 45.100 0.278 0.000 0.795 117 G HN 1.428 nan 8.290 nan 0.000 0.513 118 V N 0.398 120.428 119.914 0.193 0.000 2.789 118 V HA 0.661 4.763 4.120 -0.029 0.000 0.311 118 V C -1.299 174.848 176.094 0.088 0.000 1.073 118 V CA -0.649 61.736 62.300 0.141 0.000 0.921 118 V CB 2.170 34.082 31.823 0.148 0.000 1.009 118 V HN 0.845 nan 8.190 nan 0.000 0.426 119 D N 1.719 122.145 120.400 0.042 0.000 2.425 119 D HA 0.335 4.957 4.640 -0.029 0.000 0.240 119 D C 1.034 177.257 176.300 -0.129 0.000 1.080 119 D CA 0.062 54.057 54.000 -0.009 0.000 0.836 119 D CB 2.099 42.912 40.800 0.021 0.000 1.125 119 D HN 0.678 nan 8.370 nan 0.000 0.525 120 T N 0.805 115.203 114.554 -0.260 0.000 3.085 120 T HA 0.257 4.590 4.350 -0.029 0.000 0.263 120 T C 1.517 176.149 174.700 -0.112 0.000 1.127 120 T CA 0.740 62.552 62.100 -0.479 0.000 1.103 120 T CB 0.009 68.621 68.868 -0.426 0.000 0.921 120 T HN 0.682 nan 8.240 nan 0.000 0.510 121 G N 1.038 109.816 108.800 -0.038 0.000 2.232 121 G HA2 -0.230 3.713 3.960 -0.029 0.000 0.226 121 G HA3 -0.230 3.713 3.960 -0.029 0.000 0.226 121 G C 0.706 175.614 174.900 0.014 0.000 0.996 121 G CA 0.332 45.441 45.100 0.016 0.000 0.626 121 G HN 0.574 nan 8.290 nan 0.000 0.509 122 E N -0.442 119.758 120.200 0.001 0.000 2.500 122 E HA 0.577 4.910 4.350 -0.029 0.000 0.217 122 E C 0.593 177.201 176.600 0.014 0.000 0.848 122 E CA 0.577 56.984 56.400 0.012 0.000 1.217 122 E CB 1.346 31.057 29.700 0.018 0.000 1.217 122 E HN 0.947 nan 8.360 nan 0.000 0.573 123 A N 1.046 123.868 122.820 0.004 0.000 2.488 123 A HA 0.547 4.849 4.320 -0.029 0.000 0.298 123 A C -1.084 176.525 177.584 0.041 0.000 1.044 123 A CA -0.539 51.515 52.037 0.028 0.000 0.693 123 A CB 1.633 20.649 19.000 0.027 0.000 1.272 123 A HN -0.020 nan 8.150 nan 0.000 0.402 124 V N 2.734 122.708 119.914 0.099 0.000 2.333 124 V HA 0.417 4.520 4.120 -0.029 0.000 0.274 124 V C -0.299 175.976 176.094 0.302 0.000 1.028 124 V CA -0.423 61.975 62.300 0.163 0.000 0.851 124 V CB 1.108 33.014 31.823 0.138 0.000 1.000 124 V HN 0.631 nan 8.190 nan 0.000 0.456 125 V N 7.182 127.252 119.914 0.260 0.000 2.417 125 V HA 0.681 4.784 4.120 -0.029 0.000 0.291 125 V C -0.380 175.924 176.094 0.350 0.000 1.024 125 V CA -0.432 62.004 62.300 0.228 0.000 0.861 125 V CB 1.123 33.024 31.823 0.131 0.000 0.985 125 V HN 0.805 nan 8.190 nan 0.000 0.436 126 F N 1.641 121.695 119.950 0.173 0.000 2.662 126 F HA 0.868 5.378 4.527 -0.029 0.000 0.312 126 F C -0.190 175.757 175.800 0.245 0.000 1.113 126 F CA -0.881 57.232 58.000 0.187 0.000 0.951 126 F CB 1.716 40.800 39.000 0.140 0.000 1.344 126 F HN 0.421 nan 8.300 nan 0.000 0.462 127 T N -0.901 113.859 114.554 0.345 0.000 2.895 127 T HA 0.900 5.233 4.350 -0.029 0.000 0.283 127 T C -0.328 174.589 174.700 0.361 0.000 1.014 127 T CA -0.402 61.837 62.100 0.231 0.000 1.037 127 T CB 1.443 70.376 68.868 0.109 0.000 1.006 127 T HN 1.431 nan 8.240 nan 0.000 0.468 128 G N -0.256 108.742 108.800 0.331 0.000 2.698 128 G HA2 0.698 4.641 3.960 -0.029 0.000 0.293 128 G HA3 0.698 4.641 3.960 -0.029 0.000 0.293 128 G C -1.534 173.474 174.900 0.179 0.000 1.437 128 G CA -0.702 44.576 45.100 0.296 0.000 0.852 128 G HN 1.054 nan 8.290 nan 0.000 0.499 129 A N 0.436 123.312 122.820 0.093 0.000 2.318 129 A HA 0.907 5.209 4.320 -0.029 0.000 0.324 129 A C 0.535 178.146 177.584 0.046 0.000 1.170 129 A CA 0.149 52.191 52.037 0.008 0.000 0.810 129 A CB 1.123 20.059 19.000 -0.107 0.000 1.198 129 A HN 1.597 nan 8.150 nan 0.000 0.484 130 T N -1.437 113.138 114.554 0.036 0.000 2.844 130 T HA 0.412 4.744 4.350 -0.029 0.000 0.274 130 T C 0.897 175.596 174.700 -0.001 0.000 0.991 130 T CA -0.119 61.996 62.100 0.026 0.000 0.983 130 T CB 0.857 69.749 68.868 0.040 0.000 1.310 130 T HN 0.524 nan 8.240 nan 0.000 0.596 131 E N 0.837 121.034 120.200 -0.005 0.000 2.110 131 E HA -0.182 4.150 4.350 -0.029 0.000 0.193 131 E C 1.449 178.032 176.600 -0.029 0.000 0.988 131 E CA 1.899 58.287 56.400 -0.020 0.000 0.804 131 E CB -0.249 29.440 29.700 -0.019 0.000 0.745 131 E HN 0.812 nan 8.360 nan 0.000 0.458 132 D N -0.239 120.149 120.400 -0.020 0.000 2.346 132 D HA -0.066 4.557 4.640 -0.029 0.000 0.206 132 D C 0.794 177.071 176.300 -0.038 0.000 1.001 132 D CA 0.133 54.118 54.000 -0.026 0.000 0.871 132 D CB 0.154 40.944 40.800 -0.017 0.000 0.943 132 D HN 0.149 nan 8.370 nan 0.000 0.518 133 R N -0.803 119.675 120.500 -0.038 0.000 2.664 133 R HA 0.509 4.832 4.340 -0.029 0.000 0.266 133 R C -1.824 174.434 176.300 -0.071 0.000 1.046 133 R CA -0.880 55.181 56.100 -0.064 0.000 0.885 133 R CB 1.027 31.285 30.300 -0.070 0.000 1.254 133 R HN -0.163 nan 8.270 nan 0.000 0.465 134 V N 0.850 120.691 119.914 -0.123 0.000 2.481 134 V HA 0.832 4.935 4.120 -0.029 0.000 0.286 134 V C 0.091 176.075 176.094 -0.184 0.000 1.042 134 V CA -0.174 62.042 62.300 -0.139 0.000 0.928 134 V CB 1.079 32.789 31.823 -0.188 0.000 0.986 134 V HN 0.994 nan 8.190 nan 0.000 0.462 135 A N 4.027 126.730 122.820 -0.195 0.000 2.606 135 A HA 0.854 5.157 4.320 -0.029 0.000 0.293 135 A C -1.581 175.698 177.584 -0.508 0.000 1.082 135 A CA -0.623 51.147 52.037 -0.444 0.000 0.685 135 A CB 1.691 20.274 19.000 -0.694 0.000 1.284 135 A HN 0.835 nan 8.150 nan 0.000 0.408 136 L N 0.916 121.795 121.223 -0.573 0.000 2.282 136 L HA 0.774 5.096 4.340 -0.029 0.000 0.288 136 L C -1.611 174.878 176.870 -0.634 0.000 1.033 136 L CA -0.135 54.459 54.840 -0.410 0.000 0.807 136 L CB 0.569 42.503 42.059 -0.209 0.000 1.209 136 L HN 0.602 nan 8.230 nan 0.000 0.423 137 Y N 3.518 123.510 120.300 -0.514 0.000 2.485 137 Y HA 0.799 5.332 4.550 -0.029 0.000 0.345 137 Y C 0.063 175.685 175.900 -0.464 0.000 0.998 137 Y CA -0.719 57.005 58.100 -0.627 0.000 1.059 137 Y CB 2.183 39.881 38.460 -1.271 0.000 1.234 137 Y HN 0.728 nan 8.280 nan 0.000 0.461 138 A N 2.870 125.661 122.820 -0.049 0.000 2.343 138 A HA 0.727 5.030 4.320 -0.029 0.000 0.316 138 A C -2.011 175.647 177.584 0.123 0.000 1.104 138 A CA -0.619 51.447 52.037 0.050 0.000 0.768 138 A CB 1.093 20.115 19.000 0.037 0.000 1.213 138 A HN 0.661 nan 8.150 nan 0.000 0.456 139 L N 3.329 124.670 121.223 0.196 0.000 2.319 139 L HA 0.702 5.025 4.340 -0.029 0.000 0.281 139 L C -0.647 176.283 176.870 0.101 0.000 1.005 139 L CA -0.102 54.837 54.840 0.163 0.000 0.828 139 L CB 1.174 43.362 42.059 0.215 0.000 1.227 139 L HN 0.911 nan 8.230 nan 0.000 0.415 140 D N 2.344 122.784 120.400 0.067 0.000 2.961 140 D HA 0.399 5.022 4.640 -0.029 0.000 0.257 140 D C 0.974 177.295 176.300 0.034 0.000 1.211 140 D CA 0.054 54.082 54.000 0.046 0.000 1.066 140 D CB 0.132 40.956 40.800 0.039 0.000 1.291 140 D HN 0.362 nan 8.370 nan 0.000 0.629 141 G N -1.208 107.608 108.800 0.027 0.000 2.443 141 G HA2 0.048 3.990 3.960 -0.029 0.000 0.219 141 G HA3 0.048 3.990 3.960 -0.029 0.000 0.219 141 G C 1.240 176.151 174.900 0.020 0.000 1.131 141 G CA 0.647 45.760 45.100 0.021 0.000 0.775 141 G HN 0.593 nan 8.290 nan 0.000 0.547 142 G N -0.580 108.233 108.800 0.022 0.000 2.920 142 G HA2 0.450 4.393 3.960 -0.029 0.000 0.208 142 G HA3 0.450 4.393 3.960 -0.029 0.000 0.208 142 G C 0.903 175.817 174.900 0.023 0.000 1.159 142 G CA 0.573 45.686 45.100 0.020 0.000 0.784 142 G HN 1.244 nan 8.290 nan 0.000 0.535 143 G N -0.778 108.040 108.800 0.029 0.000 2.472 143 G HA2 0.086 4.028 3.960 -0.029 0.000 0.205 143 G HA3 0.086 4.028 3.960 -0.029 0.000 0.205 143 G C -0.897 174.035 174.900 0.053 0.000 1.270 143 G CA -0.278 44.842 45.100 0.034 0.000 0.974 143 G HN 0.887 nan 8.290 nan 0.000 0.542 144 L N 0.662 121.921 121.223 0.060 0.000 2.295 144 L HA 0.902 5.225 4.340 -0.029 0.000 0.285 144 L C 0.404 177.329 176.870 0.091 0.000 1.035 144 L CA -0.497 54.400 54.840 0.094 0.000 0.806 144 L CB 1.239 43.356 42.059 0.097 0.000 1.214 144 L HN 0.696 nan 8.230 nan 0.000 0.426 145 R N 3.500 124.060 120.500 0.101 0.000 2.575 145 R HA 0.315 4.638 4.340 -0.029 0.000 0.293 145 R C -1.122 175.207 176.300 0.050 0.000 0.983 145 R CA -0.678 55.458 56.100 0.060 0.000 0.887 145 R CB 1.846 32.160 30.300 0.024 0.000 1.184 145 R HN 0.648 nan 8.270 nan 0.000 0.445 146 E N 4.303 124.498 120.200 -0.008 0.000 2.129 146 E HA 0.049 4.381 4.350 -0.029 0.000 0.283 146 E C 0.496 176.976 176.600 -0.200 0.000 1.080 146 E CA -0.085 56.184 56.400 -0.218 0.000 0.867 146 E CB 0.691 30.258 29.700 -0.221 0.000 1.056 146 E HN 0.554 nan 8.360 nan 0.000 0.404 147 L N 3.220 124.301 121.223 -0.237 0.000 2.131 147 L HA 0.172 4.495 4.340 -0.029 0.000 0.206 147 L C 0.818 177.583 176.870 -0.175 0.000 1.087 147 L CA 0.593 55.340 54.840 -0.154 0.000 0.767 147 L CB -0.085 41.908 42.059 -0.109 0.000 0.917 147 L HN 0.508 nan 8.230 nan 0.000 0.441 148 A N -0.620 122.042 122.820 -0.263 0.000 2.594 148 A HA 0.471 4.773 4.320 -0.029 0.000 0.296 148 A C -1.053 176.327 177.584 -0.340 0.000 1.056 148 A CA -0.633 51.247 52.037 -0.262 0.000 0.693 148 A CB 1.259 20.119 19.000 -0.232 0.000 1.278 148 A HN 0.019 nan 8.150 nan 0.000 0.408 149 R N 1.746 122.067 120.500 -0.298 0.000 2.297 149 R HA 0.606 4.929 4.340 -0.029 0.000 0.308 149 R C -1.231 174.850 176.300 -0.366 0.000 1.029 149 R CA -0.360 55.560 56.100 -0.301 0.000 0.929 149 R CB 0.339 30.503 30.300 -0.226 0.000 1.046 149 R HN 0.691 nan 8.270 nan 0.000 0.461 150 L N 6.575 127.560 121.223 -0.396 0.000 2.322 150 L HA 0.382 4.705 4.340 -0.029 0.000 0.279 150 L C -1.518 175.057 176.870 -0.492 0.000 1.036 150 L CA -2.264 52.237 54.840 -0.566 0.000 0.807 150 L CB 1.724 43.528 42.059 -0.427 0.000 1.226 150 L HN 0.457 nan 8.230 nan 0.000 0.433 151 P HA -0.068 nan 4.420 nan 0.000 0.218 151 P C 0.471 177.726 177.300 -0.075 0.000 1.148 151 P CA 0.668 63.555 63.100 -0.355 0.000 0.822 151 P CB 0.339 31.800 31.700 -0.399 0.000 0.784 152 G N -2.980 105.873 108.800 0.088 0.000 2.650 152 G HA2 0.360 4.303 3.960 -0.029 0.000 0.310 152 G HA3 0.360 4.303 3.960 -0.029 0.000 0.310 152 G C -1.396 173.634 174.900 0.218 0.000 1.270 152 G CA -0.841 44.380 45.100 0.201 0.000 0.810 152 G HN -0.138 nan 8.290 nan 0.000 0.493 153 F N 1.173 121.186 119.950 0.105 0.000 2.579 153 F HA 0.340 4.850 4.527 -0.029 0.000 0.397 153 F C 1.315 177.085 175.800 -0.050 0.000 1.027 153 F CA 1.833 59.765 58.000 -0.113 0.000 1.217 153 F CB 0.489 39.387 39.000 -0.169 0.000 0.986 153 F HN 0.544 nan 8.300 nan 0.000 0.551 154 G N 3.577 112.238 108.800 -0.232 0.000 2.667 154 G HA2 0.691 4.634 3.960 -0.029 0.000 0.298 154 G HA3 0.691 4.634 3.960 -0.029 0.000 0.298 154 G C -1.988 172.655 174.900 -0.429 0.000 1.377 154 G CA -0.685 44.373 45.100 -0.070 0.000 0.964 154 G HN 0.369 nan 8.290 nan 0.000 0.493 155 F N 0.589 120.829 119.950 0.483 0.000 2.561 155 F HA 0.431 4.941 4.527 -0.029 0.000 0.313 155 F C 0.167 176.140 175.800 0.289 0.000 1.126 155 F CA -1.017 57.189 58.000 0.343 0.000 0.918 155 F CB 2.501 41.655 39.000 0.257 0.000 1.199 155 F HN 0.289 nan 8.300 nan 0.000 0.444 156 V N 2.456 122.608 119.914 0.396 0.000 2.508 156 V HA 0.135 4.237 4.120 -0.029 0.000 0.281 156 V C 0.388 176.591 176.094 0.182 0.000 1.041 156 V CA 0.283 62.724 62.300 0.235 0.000 1.016 156 V CB 1.036 33.004 31.823 0.242 0.000 0.984 156 V HN 0.995 nan 8.190 nan 0.000 0.478 157 S N 2.297 118.034 115.700 0.062 0.000 2.499 157 S HA 0.161 4.613 4.470 -0.029 0.000 0.225 157 S C 0.230 174.876 174.600 0.077 0.000 1.050 157 S CA 0.177 58.411 58.200 0.058 0.000 0.928 157 S CB 0.157 63.330 63.200 -0.045 0.000 0.803 157 S HN 0.930 nan 8.310 nan 0.000 0.506 158 D N -0.995 119.442 120.400 0.060 0.000 2.720 158 D HA 0.449 5.072 4.640 -0.029 0.000 0.239 158 D C -1.955 174.412 176.300 0.112 0.000 1.218 158 D CA -0.365 53.698 54.000 0.104 0.000 0.748 158 D CB 1.101 41.932 40.800 0.052 0.000 1.387 158 D HN -0.027 nan 8.370 nan 0.000 0.438 159 I N 1.789 122.484 120.570 0.209 0.000 2.533 159 I HA 0.509 4.661 4.170 -0.029 0.000 0.290 159 I C -0.568 175.694 176.117 0.241 0.000 1.056 159 I CA -0.727 60.690 61.300 0.194 0.000 1.057 159 I CB 2.126 40.226 38.000 0.167 0.000 1.240 159 I HN 0.150 nan 8.210 nan 0.000 0.423 160 R N 4.356 124.932 120.500 0.126 0.000 2.514 160 R HA 0.605 4.928 4.340 -0.029 0.000 0.296 160 R C 0.365 176.705 176.300 0.067 0.000 1.012 160 R CA 0.265 56.419 56.100 0.090 0.000 0.897 160 R CB 1.665 31.964 30.300 -0.002 0.000 1.184 160 R HN 0.881 nan 8.270 nan 0.000 0.440 161 G N 3.504 112.356 108.800 0.086 0.000 2.591 161 G HA2 -0.411 3.531 3.960 -0.029 0.000 0.298 161 G HA3 -0.411 3.531 3.960 -0.029 0.000 0.298 161 G C 0.420 175.353 174.900 0.056 0.000 1.195 161 G CA 0.698 45.832 45.100 0.057 0.000 0.989 161 G HN 0.682 nan 8.290 nan 0.000 0.551 162 D N -0.295 120.128 120.400 0.037 0.000 2.347 162 D HA 0.217 4.840 4.640 -0.029 0.000 0.213 162 D C 1.087 177.410 176.300 0.039 0.000 0.985 162 D CA 0.178 54.199 54.000 0.036 0.000 0.879 162 D CB 0.001 40.817 40.800 0.026 0.000 0.919 162 D HN 0.348 nan 8.370 nan 0.000 0.526 163 L N 1.149 122.394 121.223 0.036 0.000 2.290 163 L HA 0.395 4.717 4.340 -0.029 0.000 0.284 163 L C -0.677 176.218 176.870 0.042 0.000 1.078 163 L CA -0.169 54.691 54.840 0.033 0.000 0.815 163 L CB 0.835 42.900 42.059 0.010 0.000 1.162 163 L HN -0.123 nan 8.230 nan 0.000 0.435 164 I N 5.197 125.797 120.570 0.052 0.000 2.377 164 I HA 0.642 4.794 4.170 -0.029 0.000 0.293 164 I C -0.010 176.103 176.117 -0.006 0.000 0.987 164 I CA -0.398 60.932 61.300 0.050 0.000 1.185 164 I CB 1.661 39.720 38.000 0.098 0.000 1.341 164 I HN 0.759 nan 8.210 nan 0.000 0.455 165 A N 4.343 127.110 122.820 -0.088 0.000 2.355 165 A HA 0.982 5.285 4.320 -0.029 0.000 0.324 165 A C -0.166 177.155 177.584 -0.438 0.000 1.117 165 A CA -0.427 51.464 52.037 -0.245 0.000 0.785 165 A CB 1.554 20.433 19.000 -0.200 0.000 1.254 165 A HN 0.847 nan 8.150 nan 0.000 0.453 166 G N -0.444 107.816 108.800 -0.900 0.000 2.645 166 G HA2 0.581 4.524 3.960 -0.029 0.000 0.292 166 G HA3 0.581 4.524 3.960 -0.029 0.000 0.292 166 G C -1.748 172.674 174.900 -0.798 0.000 1.415 166 G CA -0.667 43.808 45.100 -1.042 0.000 0.785 166 G HN 0.742 nan 8.290 nan 0.000 0.483 167 L N -0.013 121.103 121.223 -0.179 0.000 2.365 167 L HA 0.779 5.101 4.340 -0.029 0.000 0.273 167 L C 0.334 177.369 176.870 0.275 0.000 1.000 167 L CA -0.855 54.022 54.840 0.063 0.000 0.819 167 L CB 2.495 44.609 42.059 0.092 0.000 1.284 167 L HN 0.772 nan 8.230 nan 0.000 0.418 168 G N 1.179 109.875 108.800 -0.173 0.000 2.643 168 G HA2 0.593 4.536 3.960 -0.029 0.000 0.305 168 G HA3 0.593 4.536 3.960 -0.029 0.000 0.305 168 G C -1.234 173.175 174.900 -0.819 0.000 1.387 168 G CA -0.304 44.170 45.100 -1.043 0.000 0.982 168 G HN 0.314 nan 8.290 nan 0.000 0.501 169 F N 2.785 122.576 119.950 -0.265 0.000 2.541 169 F HA 0.339 4.848 4.527 -0.029 0.000 0.351 169 F C 0.702 176.684 175.800 0.304 0.000 1.209 169 F CA -0.636 57.429 58.000 0.109 0.000 1.277 169 F CB 0.083 39.279 39.000 0.327 0.000 1.632 169 F HN 0.499 nan 8.300 nan 0.000 0.619 170 F N 0.664 120.785 119.950 0.284 0.000 2.664 170 F HA 0.441 4.951 4.527 -0.029 0.000 0.303 170 F C 1.129 177.029 175.800 0.167 0.000 1.092 170 F CA -0.420 57.695 58.000 0.193 0.000 1.305 170 F CB 0.568 39.640 39.000 0.120 0.000 1.054 170 F HN 0.366 nan 8.300 nan 0.000 0.565 171 G N -0.967 108.049 108.800 0.360 0.000 2.341 171 G HA2 0.353 4.295 3.960 -0.029 0.000 0.300 171 G HA3 0.353 4.295 3.960 -0.029 0.000 0.300 171 G C 0.173 175.197 174.900 0.207 0.000 1.706 171 G CA -0.265 44.985 45.100 0.250 0.000 0.916 171 G HN 0.332 nan 8.290 nan 0.000 0.716 172 G N -0.334 108.573 108.800 0.179 0.000 2.168 172 G HA2 0.270 4.212 3.960 -0.029 0.000 0.257 172 G HA3 0.270 4.212 3.960 -0.029 0.000 0.257 172 G C 2.089 177.094 174.900 0.176 0.000 0.997 172 G CA 1.382 46.565 45.100 0.138 0.000 0.708 172 G HN 2.905 nan 8.290 nan 0.000 0.520 173 G N -1.356 107.622 108.800 0.296 0.000 2.189 173 G HA2 -0.351 3.592 3.960 -0.029 0.000 0.267 173 G HA3 -0.351 3.592 3.960 -0.029 0.000 0.267 173 G C 0.611 175.591 174.900 0.133 0.000 0.975 173 G CA 1.191 46.531 45.100 0.400 0.000 0.644 173 G HN 1.005 nan 8.290 nan 0.000 0.537 174 R N -0.239 120.300 120.500 0.065 0.000 2.539 174 R HA 0.458 4.780 4.340 -0.029 0.000 0.275 174 R C -0.036 176.143 176.300 -0.201 0.000 1.077 174 R CA -0.324 55.732 56.100 -0.072 0.000 1.097 174 R CB 1.416 31.709 30.300 -0.013 0.000 1.018 174 R HN 0.102 nan 8.270 nan 0.000 0.483 175 V N 2.334 122.041 119.914 -0.345 0.000 2.370 175 V HA 0.182 4.284 4.120 -0.029 0.000 0.279 175 V C 0.106 176.134 176.094 -0.110 0.000 1.029 175 V CA -0.445 61.573 62.300 -0.469 0.000 0.870 175 V CB 1.561 33.003 31.823 -0.635 0.000 0.984 175 V HN 0.766 nan 8.190 nan 0.000 0.451 176 S N 4.524 120.177 115.700 -0.078 0.000 2.654 176 S HA 0.691 5.144 4.470 -0.029 0.000 0.283 176 S C -0.435 174.264 174.600 0.165 0.000 1.180 176 S CA -0.531 57.780 58.200 0.185 0.000 1.021 176 S CB 1.769 65.095 63.200 0.210 0.000 1.018 176 S HN 0.565 nan 8.310 nan 0.000 0.532 177 L N 2.938 124.251 121.223 0.151 0.000 2.350 177 L HA 0.670 4.993 4.340 -0.029 0.000 0.275 177 L C -0.949 176.097 176.870 0.293 0.000 1.099 177 L CA -0.197 54.586 54.840 -0.095 0.000 0.808 177 L CB 0.161 41.815 42.059 -0.674 0.000 1.149 177 L HN 0.628 nan 8.230 nan 0.000 0.442 178 F N 1.334 121.394 119.950 0.183 0.000 2.576 178 F HA 0.888 5.398 4.527 -0.029 0.000 0.313 178 F C -0.492 175.447 175.800 0.232 0.000 1.078 178 F CA -0.549 57.619 58.000 0.280 0.000 0.921 178 F CB 1.270 40.456 39.000 0.311 0.000 1.232 178 F HN 0.571 nan 8.300 nan 0.000 0.459 179 T N -0.484 114.349 114.554 0.466 0.000 2.924 179 T HA 0.783 5.115 4.350 -0.029 0.000 0.291 179 T C -0.797 174.101 174.700 0.331 0.000 1.045 179 T CA -0.743 61.533 62.100 0.293 0.000 1.015 179 T CB 1.636 70.662 68.868 0.264 0.000 1.103 179 T HN 0.975 nan 8.240 nan 0.000 0.496 180 S N -0.067 115.769 115.700 0.227 0.000 2.671 180 S HA 0.607 5.059 4.470 -0.029 0.000 0.277 180 S C -1.673 172.985 174.600 0.096 0.000 1.165 180 S CA -0.938 57.354 58.200 0.153 0.000 0.822 180 S CB 1.222 64.516 63.200 0.157 0.000 1.150 180 S HN 0.832 nan 8.310 nan 0.000 0.479 181 N N 1.186 119.923 118.700 0.062 0.000 2.362 181 N HA 0.403 5.126 4.740 -0.029 0.000 0.298 181 N C 0.570 176.102 175.510 0.036 0.000 1.048 181 N CA -0.670 52.407 53.050 0.045 0.000 0.858 181 N CB 1.600 40.106 38.487 0.032 0.000 1.218 181 N HN 0.426 nan 8.380 nan 0.000 0.488 182 L N 2.346 123.591 121.223 0.037 0.000 2.017 182 L HA -0.125 4.197 4.340 -0.029 0.000 0.208 182 L C 1.969 178.852 176.870 0.022 0.000 1.073 182 L CA 1.881 56.740 54.840 0.032 0.000 0.745 182 L CB -0.708 41.372 42.059 0.035 0.000 0.894 182 L HN 0.740 nan 8.230 nan 0.000 0.432 183 S N -1.621 114.091 115.700 0.020 0.000 2.368 183 S HA -0.111 4.341 4.470 -0.029 0.000 0.224 183 S C 1.742 176.347 174.600 0.009 0.000 1.029 183 S CA 1.086 59.295 58.200 0.015 0.000 0.988 183 S CB -0.752 62.457 63.200 0.015 0.000 0.838 183 S HN 0.628 nan 8.310 nan 0.000 0.462 184 S N -0.016 115.688 115.700 0.007 0.000 2.578 184 S HA 0.576 5.029 4.470 -0.029 0.000 0.228 184 S C 1.268 175.862 174.600 -0.009 0.000 1.022 184 S CA 0.242 58.441 58.200 -0.000 0.000 0.967 184 S CB -0.244 62.957 63.200 0.002 0.000 0.914 184 S HN 1.241 nan 8.310 nan 0.000 0.515 185 G N 1.404 110.199 108.800 -0.007 0.000 2.547 185 G HA2 0.255 4.198 3.960 -0.029 0.000 0.271 185 G HA3 0.255 4.198 3.960 -0.029 0.000 0.271 185 G C 0.543 175.433 174.900 -0.017 0.000 1.209 185 G CA -0.089 44.999 45.100 -0.021 0.000 0.959 185 G HN 2.108 nan 8.290 nan 0.000 0.563 186 G N -2.537 106.239 108.800 -0.041 0.000 2.756 186 G HA2 0.418 4.360 3.960 -0.029 0.000 0.678 186 G HA3 0.418 4.360 3.960 -0.029 0.000 0.678 186 G C -0.818 174.062 174.900 -0.033 0.000 1.349 186 G CA 0.285 45.360 45.100 -0.042 0.000 0.847 186 G HN 2.271 nan 8.290 nan 0.000 0.548 187 L N -0.271 120.925 121.223 -0.044 0.000 2.505 187 L HA 0.856 5.179 4.340 -0.029 0.000 0.266 187 L C -0.424 176.419 176.870 -0.046 0.000 0.954 187 L CA -0.849 53.971 54.840 -0.033 0.000 0.852 187 L CB 1.945 43.930 42.059 -0.124 0.000 1.282 187 L HN 0.841 nan 8.230 nan 0.000 0.403 188 R N 3.769 124.264 120.500 -0.009 0.000 2.439 188 R HA 0.708 5.030 4.340 -0.029 0.000 0.310 188 R C -1.742 174.422 176.300 -0.227 0.000 0.955 188 R CA -0.556 55.426 56.100 -0.197 0.000 0.853 188 R CB 1.732 31.907 30.300 -0.209 0.000 1.171 188 R HN 0.473 nan 8.270 nan 0.000 0.449 189 V N 5.617 125.354 119.914 -0.295 0.000 2.472 189 V HA 0.531 4.634 4.120 -0.029 0.000 0.290 189 V C -0.569 175.312 176.094 -0.355 0.000 1.037 189 V CA -0.562 61.691 62.300 -0.078 0.000 0.908 189 V CB 1.422 33.319 31.823 0.123 0.000 0.985 189 V HN 0.474 nan 8.190 nan 0.000 0.454 190 F N 1.900 121.934 119.950 0.138 0.000 2.460 190 F HA 0.546 5.055 4.527 -0.029 0.000 0.341 190 F C 0.015 175.958 175.800 0.238 0.000 1.130 190 F CA -0.859 57.212 58.000 0.117 0.000 0.962 190 F CB 1.301 40.298 39.000 -0.006 0.000 1.171 190 F HN 0.374 nan 8.300 nan 0.000 0.436 191 D N 0.899 121.518 120.400 0.365 0.000 2.181 191 D HA 0.382 5.005 4.640 -0.029 0.000 0.248 191 D C -0.604 175.875 176.300 0.299 0.000 1.020 191 D CA -0.176 54.016 54.000 0.320 0.000 0.891 191 D CB 1.887 42.796 40.800 0.182 0.000 1.187 191 D HN 0.367 nan 8.370 nan 0.000 0.443 192 S N 0.334 116.120 115.700 0.144 0.000 2.475 192 S HA 0.522 4.975 4.470 -0.029 0.000 0.298 192 S C 1.275 175.854 174.600 -0.036 0.000 1.119 192 S CA -0.578 57.614 58.200 -0.015 0.000 1.085 192 S CB 1.328 64.332 63.200 -0.328 0.000 1.028 192 S HN 0.475 nan 8.310 nan 0.000 0.489 193 G N 2.604 111.399 108.800 -0.008 0.000 2.598 193 G HA2 -0.010 3.932 3.960 -0.029 0.000 0.215 193 G HA3 -0.010 3.932 3.960 -0.029 0.000 0.215 193 G C 0.868 175.747 174.900 -0.036 0.000 1.131 193 G CA 0.258 45.351 45.100 -0.011 0.000 0.785 193 G HN 0.827 nan 8.290 nan 0.000 0.539 194 E N -0.590 119.568 120.200 -0.070 0.000 2.447 194 E HA 0.357 4.690 4.350 -0.029 0.000 0.195 194 E C 1.309 177.844 176.600 -0.108 0.000 1.028 194 E CA 0.262 56.615 56.400 -0.078 0.000 0.876 194 E CB 0.668 30.319 29.700 -0.083 0.000 0.885 194 E HN 0.389 nan 8.360 nan 0.000 0.500 195 G N 0.239 108.944 108.800 -0.159 0.000 2.404 195 G HA2 0.117 4.060 3.960 -0.029 0.000 0.253 195 G HA3 0.117 4.060 3.960 -0.029 0.000 0.253 195 G C -1.240 173.491 174.900 -0.282 0.000 1.253 195 G CA -0.683 44.306 45.100 -0.185 0.000 0.917 195 G HN -0.011 nan 8.290 nan 0.000 0.480 196 S N -0.499 115.015 115.700 -0.309 0.000 2.526 196 S HA 0.711 5.163 4.470 -0.029 0.000 0.293 196 S C -1.002 173.386 174.600 -0.354 0.000 1.092 196 S CA -0.415 57.595 58.200 -0.316 0.000 0.980 196 S CB 1.201 64.251 63.200 -0.250 0.000 1.048 196 S HN 0.448 nan 8.310 nan 0.000 0.483 197 F N 2.169 122.045 119.950 -0.124 0.000 2.443 197 F HA 0.220 4.729 4.527 -0.029 0.000 0.353 197 F C 1.750 177.469 175.800 -0.135 0.000 1.101 197 F CA -0.055 57.878 58.000 -0.111 0.000 1.226 197 F CB 1.058 39.998 39.000 -0.099 0.000 1.140 197 F HN 0.706 nan 8.300 nan 0.000 0.557 198 S N -0.267 115.477 115.700 0.073 0.000 2.559 198 S HA 0.294 4.747 4.470 -0.029 0.000 0.226 198 S C -0.087 174.522 174.600 0.015 0.000 1.030 198 S CA 0.264 58.472 58.200 0.014 0.000 0.956 198 S CB -0.012 63.194 63.200 0.010 0.000 0.900 198 S HN 0.555 nan 8.310 nan 0.000 0.510 199 S N -0.016 115.686 115.700 0.003 0.000 2.558 199 S HA 0.823 5.275 4.470 -0.029 0.000 0.277 199 S C -0.994 173.534 174.600 -0.120 0.000 1.143 199 S CA -0.468 57.684 58.200 -0.079 0.000 0.865 199 S CB 1.141 64.270 63.200 -0.118 0.000 1.102 199 S HN 1.254 nan 8.310 nan 0.000 0.454 200 A N 0.690 123.398 122.820 -0.188 0.000 2.589 200 A HA 0.945 5.248 4.320 -0.029 0.000 0.296 200 A C -0.739 176.723 177.584 -0.203 0.000 1.062 200 A CA -0.561 51.358 52.037 -0.197 0.000 0.686 200 A CB 1.666 20.540 19.000 -0.210 0.000 1.282 200 A HN 1.682 nan 8.150 nan 0.000 0.404 201 S N 0.755 116.364 115.700 -0.152 0.000 2.543 201 S HA 0.570 5.022 4.470 -0.029 0.000 0.273 201 S C -1.265 173.370 174.600 0.057 0.000 1.152 201 S CA -0.489 57.680 58.200 -0.052 0.000 0.910 201 S CB 0.530 63.668 63.200 -0.104 0.000 1.105 201 S HN 0.696 nan 8.310 nan 0.000 0.465 202 I N 4.468 125.053 120.570 0.024 0.000 2.396 202 I HA 0.222 4.375 4.170 -0.029 0.000 0.289 202 I C 1.070 177.079 176.117 -0.180 0.000 1.056 202 I CA -0.098 61.171 61.300 -0.053 0.000 1.365 202 I CB 1.278 39.239 38.000 -0.065 0.000 1.407 202 I HN 0.720 nan 8.210 nan 0.000 0.509 203 S N 6.826 122.351 115.700 -0.291 0.000 2.596 203 S HA 0.234 4.687 4.470 -0.029 0.000 0.260 203 S C -1.725 172.581 174.600 -0.490 0.000 1.336 203 S CA -0.989 56.783 58.200 -0.714 0.000 0.993 203 S CB 0.448 63.425 63.200 -0.371 0.000 0.923 203 S HN 0.416 nan 8.310 nan 0.000 0.567 204 P HA 0.036 nan 4.420 nan 0.000 0.219 204 P C 1.467 178.657 177.300 -0.184 0.000 1.146 204 P CA 1.484 64.416 63.100 -0.279 0.000 0.808 204 P CB -0.534 31.021 31.700 -0.241 0.000 0.779 205 G N -1.114 107.579 108.800 -0.179 0.000 2.776 205 G HA2 -0.107 3.836 3.960 -0.029 0.000 0.209 205 G HA3 -0.107 3.836 3.960 -0.029 0.000 0.209 205 G C 0.655 175.493 174.900 -0.104 0.000 1.145 205 G CA 0.135 45.164 45.100 -0.118 0.000 0.791 205 G HN 0.035 nan 8.290 nan 0.000 0.530 206 M N -1.127 118.399 119.600 -0.124 0.000 2.818 206 M HA -0.136 4.327 4.480 -0.029 0.000 0.204 206 M C 0.196 176.440 176.300 -0.094 0.000 0.552 206 M CA 0.989 56.231 55.300 -0.096 0.000 0.687 206 M CB -2.301 30.261 32.600 -0.063 0.000 2.512 206 M HN 0.356 nan 8.290 nan 0.000 0.563 207 K N -0.532 119.800 120.400 -0.112 0.000 2.245 207 K HA 0.780 5.082 4.320 -0.029 0.000 0.234 207 K C 0.171 176.689 176.600 -0.137 0.000 1.021 207 K CA -0.925 55.289 56.287 -0.122 0.000 0.898 207 K CB 1.922 34.359 32.500 -0.104 0.000 1.163 207 K HN -0.027 nan 8.250 nan 0.000 0.459 208 V N 1.889 121.693 119.914 -0.184 0.000 2.350 208 V HA 0.133 4.235 4.120 -0.029 0.000 0.276 208 V C -0.284 175.719 176.094 -0.152 0.000 1.028 208 V CA -0.651 61.533 62.300 -0.194 0.000 0.860 208 V CB 1.154 32.781 31.823 -0.326 0.000 0.990 208 V HN 0.722 nan 8.190 nan 0.000 0.453 209 T N 5.092 119.609 114.554 -0.062 0.000 2.794 209 T HA 0.628 4.960 4.350 -0.029 0.000 0.296 209 T C 0.206 174.836 174.700 -0.117 0.000 0.949 209 T CA -0.015 62.052 62.100 -0.055 0.000 1.101 209 T CB 1.078 69.957 68.868 0.019 0.000 0.905 209 T HN 0.936 nan 8.240 nan 0.000 0.516 210 A N 2.500 125.270 122.820 -0.084 0.000 2.454 210 A HA 0.829 5.131 4.320 -0.029 0.000 0.302 210 A C 0.275 177.887 177.584 0.047 0.000 1.079 210 A CA -0.868 51.150 52.037 -0.032 0.000 0.731 210 A CB 1.430 20.425 19.000 -0.009 0.000 1.299 210 A HN 0.927 nan 8.150 nan 0.000 0.413 211 G N 0.174 109.001 108.800 0.046 0.000 2.355 211 G HA2 0.509 4.451 3.960 -0.029 0.000 0.276 211 G HA3 0.509 4.451 3.960 -0.029 0.000 0.276 211 G C -0.798 174.164 174.900 0.103 0.000 1.198 211 G CA -0.095 45.044 45.100 0.066 0.000 0.876 211 G HN 0.821 nan 8.290 nan 0.000 0.478 212 L N 2.069 123.312 121.223 0.032 0.000 2.298 212 L HA 0.472 4.795 4.340 -0.029 0.000 0.284 212 L C -0.067 176.738 176.870 -0.107 0.000 1.013 212 L CA -0.666 54.091 54.840 -0.138 0.000 0.824 212 L CB 1.260 43.210 42.059 -0.182 0.000 1.221 212 L HN 0.561 nan 8.230 nan 0.000 0.418 213 E N 3.448 123.566 120.200 -0.137 0.000 2.134 213 E HA 0.448 4.781 4.350 -0.029 0.000 0.278 213 E C -0.288 176.244 176.600 -0.112 0.000 0.959 213 E CA -0.400 55.946 56.400 -0.091 0.000 0.783 213 E CB 1.234 30.894 29.700 -0.067 0.000 1.095 213 E HN 0.736 nan 8.360 nan 0.000 0.399 214 T N -0.914 113.592 114.554 -0.079 0.000 2.844 214 T HA 0.533 4.865 4.350 -0.029 0.000 0.274 214 T C 1.367 176.050 174.700 -0.029 0.000 0.991 214 T CA -0.107 61.951 62.100 -0.069 0.000 0.983 214 T CB 1.267 70.096 68.868 -0.066 0.000 1.310 214 T HN 0.330 nan 8.240 nan 0.000 0.596 215 A N 0.671 123.482 122.820 -0.014 0.000 1.881 215 A HA 0.021 4.323 4.320 -0.029 0.000 0.219 215 A C 2.625 180.226 177.584 0.029 0.000 1.215 215 A CA 3.520 55.569 52.037 0.019 0.000 0.648 215 A CB -1.729 17.281 19.000 0.016 0.000 0.832 215 A HN 1.262 nan 8.150 nan 0.000 0.455 216 R N -1.842 118.658 120.500 0.001 0.000 1.966 216 R HA 0.534 4.857 4.340 -0.029 0.000 0.191 216 R C 1.494 177.775 176.300 -0.032 0.000 1.542 216 R CA 1.571 57.666 56.100 -0.008 0.000 1.210 216 R CB -1.238 29.047 30.300 -0.024 0.000 1.039 216 R HN 0.969 nan 8.270 nan 0.000 0.476 217 E N 0.151 120.320 120.200 -0.051 0.000 2.342 217 E HA 0.718 5.051 4.350 -0.029 0.000 0.257 217 E C -0.003 176.561 176.600 -0.061 0.000 1.150 217 E CA -0.302 56.054 56.400 -0.074 0.000 0.926 217 E CB 0.944 30.590 29.700 -0.092 0.000 1.074 217 E HN 1.336 nan 8.360 nan 0.000 0.449 218 A N 0.629 123.412 122.820 -0.062 0.000 2.355 218 A HA 0.833 5.135 4.320 -0.029 0.000 0.324 218 A C 0.089 177.669 177.584 -0.007 0.000 1.117 218 A CA -0.316 51.707 52.037 -0.023 0.000 0.785 218 A CB 0.861 19.872 19.000 0.018 0.000 1.254 218 A HN 0.928 nan 8.150 nan 0.000 0.453 219 R N 0.904 121.430 120.500 0.043 0.000 2.799 219 R HA 0.734 5.057 4.340 -0.029 0.000 0.270 219 R C -1.779 174.614 176.300 0.155 0.000 1.010 219 R CA -0.901 55.268 56.100 0.115 0.000 0.916 219 R CB 0.945 31.272 30.300 0.045 0.000 1.228 219 R HN 0.467 nan 8.270 nan 0.000 0.469 220 L N 2.034 123.378 121.223 0.202 0.000 2.326 220 L HA 0.526 4.848 4.340 -0.029 0.000 0.278 220 L C 0.135 177.036 176.870 0.053 0.000 1.092 220 L CA -0.795 54.085 54.840 0.068 0.000 0.810 220 L CB 1.523 43.552 42.059 -0.050 0.000 1.153 220 L HN 0.583 nan 8.230 nan 0.000 0.439 221 V N -0.388 119.556 119.914 0.049 0.000 3.141 221 V HA 0.678 4.780 4.120 -0.029 0.000 0.312 221 V C -0.334 175.768 176.094 0.013 0.000 1.157 221 V CA -0.508 61.823 62.300 0.051 0.000 1.041 221 V CB 2.176 34.064 31.823 0.108 0.000 1.071 221 V HN 0.642 nan 8.190 nan 0.000 0.441 222 T N 1.885 116.437 114.554 -0.004 0.000 2.791 222 T HA 0.626 4.958 4.350 -0.029 0.000 0.288 222 T C -0.578 174.076 174.700 -0.077 0.000 0.999 222 T CA -0.264 61.808 62.100 -0.046 0.000 0.952 222 T CB 1.166 70.014 68.868 -0.033 0.000 0.938 222 T HN 0.747 nan 8.240 nan 0.000 0.444 223 V N 3.717 123.528 119.914 -0.171 0.000 2.370 223 V HA 0.307 4.409 4.120 -0.029 0.000 0.283 223 V C 0.194 176.114 176.094 -0.290 0.000 1.023 223 V CA -0.958 61.178 62.300 -0.274 0.000 0.857 223 V CB 1.473 32.971 31.823 -0.542 0.000 0.985 223 V HN 0.782 nan 8.190 nan 0.000 0.443 224 D N 7.992 128.280 120.400 -0.187 0.000 2.336 224 D HA 0.207 4.830 4.640 -0.029 0.000 0.249 224 D C -1.355 174.872 176.300 -0.120 0.000 1.213 224 D CA -1.932 51.993 54.000 -0.125 0.000 0.870 224 D CB 2.086 42.858 40.800 -0.046 0.000 1.076 224 D HN 0.267 nan 8.370 nan 0.000 0.483 225 P HA -0.054 nan 4.420 nan 0.000 0.234 225 P C 0.934 178.362 177.300 0.212 0.000 1.167 225 P CA 0.443 63.577 63.100 0.056 0.000 0.763 225 P CB 0.575 32.296 31.700 0.035 0.000 0.835 226 R N 0.747 121.310 120.500 0.105 0.000 2.127 226 R HA -0.036 4.287 4.340 -0.029 0.000 0.217 226 R C 1.419 177.781 176.300 0.104 0.000 1.074 226 R CA 1.704 57.858 56.100 0.090 0.000 0.991 226 R CB -0.442 29.884 30.300 0.044 0.000 0.895 226 R HN 0.304 nan 8.270 nan 0.000 0.450 227 D N -3.415 117.058 120.400 0.120 0.000 2.510 227 D HA 0.170 4.793 4.640 -0.029 0.000 0.234 227 D C 0.919 177.321 176.300 0.170 0.000 1.178 227 D CA 0.528 54.596 54.000 0.113 0.000 0.816 227 D CB 0.215 41.055 40.800 0.067 0.000 1.143 227 D HN 0.123 nan 8.370 nan 0.000 0.526 228 G N 0.983 109.948 108.800 0.276 0.000 2.162 228 G HA2 -0.291 3.651 3.960 -0.029 0.000 0.260 228 G HA3 -0.291 3.651 3.960 -0.029 0.000 0.260 228 G C 0.405 175.410 174.900 0.174 0.000 0.976 228 G CA 0.507 45.830 45.100 0.372 0.000 0.655 228 G HN 0.923 nan 8.290 nan 0.000 0.533 229 S N -0.935 114.820 115.700 0.092 0.000 2.560 229 S HA 0.571 5.023 4.470 -0.029 0.000 0.284 229 S C 0.131 174.749 174.600 0.030 0.000 1.327 229 S CA 0.068 58.302 58.200 0.057 0.000 1.055 229 S CB 2.417 65.638 63.200 0.035 0.000 0.868 229 S HN 1.179 nan 8.310 nan 0.000 0.506 230 V N 3.282 123.223 119.914 0.045 0.000 2.588 230 V HA 0.676 4.779 4.120 -0.029 0.000 0.304 230 V C -0.174 175.940 176.094 0.033 0.000 1.042 230 V CA -0.704 61.623 62.300 0.044 0.000 0.877 230 V CB 1.394 33.276 31.823 0.099 0.000 0.996 230 V HN 1.091 nan 8.190 nan 0.000 0.425 231 E N 1.678 121.891 120.200 0.022 0.000 2.383 231 E HA 0.470 4.802 4.350 -0.029 0.000 0.275 231 E C -1.671 174.941 176.600 0.021 0.000 0.918 231 E CA -0.963 55.447 56.400 0.018 0.000 0.764 231 E CB 2.162 31.867 29.700 0.009 0.000 1.252 231 E HN 0.480 nan 8.360 nan 0.000 0.449 232 D N 1.714 122.126 120.400 0.020 0.000 2.458 232 D HA 0.087 4.710 4.640 -0.029 0.000 0.243 232 D C -0.484 175.827 176.300 0.018 0.000 1.146 232 D CA -0.018 53.996 54.000 0.024 0.000 0.877 232 D CB 0.683 41.496 40.800 0.021 0.000 1.176 232 D HN 0.283 nan 8.370 nan 0.000 0.461 233 L N 3.396 124.630 121.223 0.019 0.000 2.281 233 L HA 0.168 4.491 4.340 -0.029 0.000 0.285 233 L C -0.008 176.872 176.870 0.017 0.000 1.074 233 L CA -0.054 54.790 54.840 0.006 0.000 0.817 233 L CB 0.581 42.631 42.059 -0.016 0.000 1.168 233 L HN 0.160 nan 8.230 nan 0.000 0.434 234 E N 5.677 125.885 120.200 0.014 0.000 2.197 234 E HA 0.385 4.717 4.350 -0.029 0.000 0.281 234 E C -0.858 175.749 176.600 0.011 0.000 0.995 234 E CA -0.454 55.959 56.400 0.022 0.000 0.808 234 E CB 1.900 31.610 29.700 0.018 0.000 1.093 234 E HN 0.590 nan 8.360 nan 0.000 0.394 235 L N 3.549 124.782 121.223 0.018 0.000 2.352 235 L HA 0.297 4.620 4.340 -0.029 0.000 0.269 235 L C -1.365 175.516 176.870 0.017 0.000 1.034 235 L CA -1.984 52.857 54.840 0.001 0.000 0.806 235 L CB 0.891 42.936 42.059 -0.023 0.000 1.244 235 L HN 0.250 nan 8.230 nan 0.000 0.447 236 P HA -0.111 nan 4.420 nan 0.000 0.215 236 P C 0.351 177.668 177.300 0.028 0.000 1.157 236 P CA 0.893 64.004 63.100 0.019 0.000 0.868 236 P CB 0.224 31.934 31.700 0.016 0.000 0.788 237 S N -0.601 115.122 115.700 0.039 0.000 2.541 237 S HA 0.245 4.698 4.470 -0.029 0.000 0.283 237 S C 0.784 175.425 174.600 0.069 0.000 1.196 237 S CA -0.626 57.608 58.200 0.056 0.000 1.062 237 S CB 0.331 63.576 63.200 0.074 0.000 1.009 237 S HN -0.180 nan 8.310 nan 0.000 0.502 238 K N 2.778 123.216 120.400 0.063 0.000 2.387 238 K HA 0.137 4.440 4.320 -0.029 0.000 0.198 238 K C 0.370 177.003 176.600 0.055 0.000 1.022 238 K CA 0.048 56.367 56.287 0.052 0.000 1.128 238 K CB -0.057 32.461 32.500 0.031 0.000 0.853 238 K HN 0.591 nan 8.250 nan 0.000 0.523 239 D N 0.708 121.171 120.400 0.105 0.000 2.149 239 D HA -0.184 4.438 4.640 -0.029 0.000 0.198 239 D C 1.515 177.840 176.300 0.041 0.000 0.990 239 D CA 0.890 54.987 54.000 0.163 0.000 0.839 239 D CB -0.159 40.827 40.800 0.310 0.000 0.948 239 D HN 0.187 nan 8.370 nan 0.000 0.460 240 F N 1.777 121.523 119.950 -0.341 0.000 2.075 240 F HA -0.217 4.292 4.527 -0.029 0.000 0.297 240 F C 2.476 178.044 175.800 -0.387 0.000 1.113 240 F CA 2.078 59.532 58.000 -0.910 0.000 1.218 240 F CB -0.483 38.022 39.000 -0.825 0.000 0.984 240 F HN -0.014 nan 8.300 nan 0.000 0.472 241 S N -0.652 114.815 115.700 -0.388 0.000 2.406 241 S HA -0.154 4.299 4.470 -0.029 0.000 0.228 241 S C 2.148 176.581 174.600 -0.277 0.000 1.020 241 S CA 0.962 58.916 58.200 -0.410 0.000 0.965 241 S CB -1.194 61.934 63.200 -0.121 0.000 0.798 241 S HN 0.532 nan 8.310 nan 0.000 0.488 242 S N -0.056 115.557 115.700 -0.146 0.000 2.515 242 S HA -0.035 4.418 4.470 -0.029 0.000 0.231 242 S C 1.556 176.139 174.600 -0.028 0.000 0.987 242 S CA 0.282 58.440 58.200 -0.069 0.000 0.936 242 S CB -0.851 62.343 63.200 -0.010 0.000 0.766 242 S HN 0.673 nan 8.310 nan 0.000 0.528 243 Y N 2.510 122.690 120.300 -0.200 0.000 2.457 243 Y HA 0.251 4.783 4.550 -0.030 0.000 0.292 243 Y C 0.739 176.539 175.900 -0.167 0.000 1.125 243 Y CA 0.656 58.689 58.100 -0.112 0.000 1.254 243 Y CB -0.244 38.208 38.460 -0.013 0.000 1.012 243 Y HN 0.237 nan 8.280 nan 0.000 0.555 244 R N 0.371 120.678 120.500 -0.320 0.000 3.146 244 R HA -0.151 4.171 4.340 -0.029 0.000 0.250 244 R C -2.704 173.358 176.300 -0.397 0.000 0.912 244 R CA 0.306 56.203 56.100 -0.337 0.000 0.633 244 R CB -1.939 28.212 30.300 -0.248 0.000 1.180 244 R HN 0.322 nan 8.270 nan 0.000 0.464 245 P HA -0.007 nan 4.420 nan 0.000 0.271 245 P C 0.804 178.025 177.300 -0.133 0.000 1.218 245 P CA 0.147 63.140 63.100 -0.180 0.000 0.780 245 P CB 0.972 32.733 31.700 0.102 0.000 0.901 246 T N -1.034 113.456 114.554 -0.107 0.000 3.057 246 T HA 0.403 4.735 4.350 -0.029 0.000 0.254 246 T C 0.730 175.404 174.700 -0.044 0.000 1.094 246 T CA 0.139 62.188 62.100 -0.085 0.000 1.088 246 T CB 0.077 68.875 68.868 -0.116 0.000 0.934 246 T HN 0.608 nan 8.240 nan 0.000 0.497 247 A N 0.682 123.500 122.820 -0.004 0.000 2.515 247 A HA 0.757 5.060 4.320 -0.029 0.000 0.298 247 A C -1.288 176.363 177.584 0.111 0.000 1.059 247 A CA -0.976 51.079 52.037 0.030 0.000 0.698 247 A CB 1.227 20.226 19.000 -0.003 0.000 1.289 247 A HN 0.391 nan 8.150 nan 0.000 0.404 248 I N 2.313 122.949 120.570 0.110 0.000 2.390 248 I HA 0.219 4.372 4.170 -0.029 0.000 0.283 248 I C 1.075 177.270 176.117 0.131 0.000 1.016 248 I CA -0.381 61.012 61.300 0.155 0.000 1.151 248 I CB 1.838 39.922 38.000 0.140 0.000 1.293 248 I HN 0.804 nan 8.210 nan 0.000 0.458 249 T N 4.234 118.893 114.554 0.176 0.000 2.674 249 T HA -0.138 4.195 4.350 -0.029 0.000 0.265 249 T C -0.146 174.711 174.700 0.262 0.000 1.039 249 T CA 1.521 63.735 62.100 0.189 0.000 1.150 249 T CB 0.020 69.014 68.868 0.210 0.000 0.864 249 T HN 0.632 nan 8.240 nan 0.000 0.427 250 W N 0.737 122.062 121.300 0.042 0.000 3.363 250 W HA 0.491 5.134 4.660 -0.029 0.000 0.306 250 W C -2.496 174.018 176.519 -0.008 0.000 1.253 250 W CA -1.438 55.918 57.345 0.017 0.000 1.195 250 W CB 1.046 30.519 29.460 0.022 0.000 1.366 250 W HN 0.152 nan 8.180 nan 0.000 0.551 251 L N 3.030 123.548 121.223 -1.175 0.000 2.465 251 L HA 1.122 5.444 4.340 -0.029 0.000 0.257 251 L C -0.577 175.172 176.870 -1.869 0.000 0.988 251 L CA -0.647 53.446 54.840 -1.245 0.000 0.827 251 L CB 1.864 43.538 42.059 -0.642 0.000 1.397 251 L HN 0.772 nan 8.230 nan 0.000 0.410 252 G N 0.050 108.034 108.800 -1.360 0.000 2.732 252 G HA2 0.513 4.456 3.960 -0.029 0.000 0.296 252 G HA3 0.513 4.456 3.960 -0.029 0.000 0.296 252 G C -2.169 172.504 174.900 -0.378 0.000 1.448 252 G CA -0.659 44.017 45.100 -0.706 0.000 0.911 252 G HN 0.547 nan 8.290 nan 0.000 0.528 253 Y N 0.675 120.916 120.300 -0.098 0.000 2.319 253 Y HA 0.456 4.988 4.550 -0.029 0.000 0.328 253 Y C 1.249 177.140 175.900 -0.015 0.000 1.133 253 Y CA -0.250 57.811 58.100 -0.064 0.000 1.265 253 Y CB 1.044 39.448 38.460 -0.093 0.000 1.218 253 Y HN 0.258 nan 8.280 nan 0.000 0.508 254 L N 5.354 126.626 121.223 0.082 0.000 2.456 254 L HA 0.220 4.542 4.340 -0.029 0.000 0.257 254 L C -1.347 175.410 176.870 -0.189 0.000 1.162 254 L CA -1.890 52.918 54.840 -0.053 0.000 0.808 254 L CB 0.504 42.561 42.059 -0.003 0.000 1.136 254 L HN 0.452 nan 8.230 nan 0.000 0.466 255 P HA -0.174 nan 4.420 nan 0.000 0.217 255 P C 0.483 177.688 177.300 -0.159 0.000 1.148 255 P CA 1.114 64.003 63.100 -0.352 0.000 0.828 255 P CB -0.025 31.419 31.700 -0.426 0.000 0.783 256 D N -2.270 118.065 120.400 -0.107 0.000 2.349 256 D HA 0.098 4.721 4.640 -0.029 0.000 0.224 256 D C 1.450 177.735 176.300 -0.025 0.000 1.029 256 D CA 0.629 54.597 54.000 -0.054 0.000 0.879 256 D CB -0.921 39.858 40.800 -0.035 0.000 0.906 256 D HN 0.234 nan 8.370 nan 0.000 0.528 257 G N 0.116 108.911 108.800 -0.009 0.000 2.217 257 G HA2 -0.334 3.609 3.960 -0.029 0.000 0.246 257 G HA3 -0.334 3.609 3.960 -0.029 0.000 0.246 257 G C 0.390 175.373 174.900 0.137 0.000 0.990 257 G CA -0.091 45.036 45.100 0.045 0.000 0.627 257 G HN 0.458 nan 8.290 nan 0.000 0.522 258 R N -0.247 120.298 120.500 0.074 0.000 2.643 258 R HA 0.447 4.770 4.340 -0.029 0.000 0.270 258 R C -0.051 176.253 176.300 0.007 0.000 1.061 258 R CA -0.351 55.778 56.100 0.048 0.000 1.107 258 R CB 0.689 30.999 30.300 0.016 0.000 0.999 258 R HN 0.256 nan 8.270 nan 0.000 0.460 259 L N 2.355 123.511 121.223 -0.112 0.000 2.265 259 L HA 0.389 4.711 4.340 -0.029 0.000 0.289 259 L C -0.651 176.077 176.870 -0.237 0.000 1.033 259 L CA -0.126 54.479 54.840 -0.392 0.000 0.814 259 L CB 1.122 42.867 42.059 -0.524 0.000 1.203 259 L HN 0.712 nan 8.230 nan 0.000 0.423 260 A N 5.364 128.078 122.820 -0.177 0.000 2.301 260 A HA 0.724 5.027 4.320 -0.029 0.000 0.298 260 A C -0.857 176.694 177.584 -0.055 0.000 1.185 260 A CA -0.435 51.606 52.037 0.006 0.000 0.830 260 A CB 0.679 19.825 19.000 0.244 0.000 1.112 260 A HN 0.567 nan 8.150 nan 0.000 0.508 261 V N 3.203 123.127 119.914 0.018 0.000 2.638 261 V HA 0.414 4.516 4.120 -0.029 0.000 0.306 261 V C -0.513 175.732 176.094 0.252 0.000 1.052 261 V CA -0.570 61.738 62.300 0.014 0.000 0.885 261 V CB 1.845 33.504 31.823 -0.273 0.000 0.999 261 V HN 0.625 nan 8.190 nan 0.000 0.424 262 V N 4.001 124.102 119.914 0.312 0.000 2.357 262 V HA 0.856 4.959 4.120 -0.029 0.000 0.284 262 V C 0.341 176.636 176.094 0.336 0.000 1.018 262 V CA -0.155 62.334 62.300 0.315 0.000 0.841 262 V CB 1.295 33.308 31.823 0.317 0.000 0.991 262 V HN 1.054 nan 8.190 nan 0.000 0.437 263 A N 6.235 129.306 122.820 0.417 0.000 2.386 263 A HA 1.062 5.365 4.320 -0.029 0.000 0.308 263 A C -0.396 177.460 177.584 0.453 0.000 1.128 263 A CA -0.897 51.410 52.037 0.449 0.000 0.789 263 A CB 1.916 21.293 19.000 0.629 0.000 1.325 263 A HN 0.905 nan 8.150 nan 0.000 0.437 264 R N -0.251 120.491 120.500 0.403 0.000 2.799 264 R HA 0.840 5.163 4.340 -0.029 0.000 0.270 264 R C -1.393 175.011 176.300 0.173 0.000 1.010 264 R CA -1.032 55.276 56.100 0.346 0.000 0.916 264 R CB 1.652 32.062 30.300 0.182 0.000 1.228 264 R HN 0.823 nan 8.270 nan 0.000 0.469 265 R N 0.402 120.963 120.500 0.101 0.000 2.626 265 R HA 0.301 4.623 4.340 -0.029 0.000 0.274 265 R C -1.042 175.261 176.300 0.006 0.000 1.031 265 R CA -1.107 54.954 56.100 -0.064 0.000 0.898 265 R CB 1.740 31.923 30.300 -0.195 0.000 1.222 265 R HN 0.860 nan 8.270 nan 0.000 0.455 266 E N 0.743 120.913 120.200 -0.049 0.000 2.360 266 E HA -0.284 4.049 4.350 -0.029 0.000 0.238 266 E C 0.483 177.227 176.600 0.239 0.000 1.186 266 E CA 0.882 57.392 56.400 0.183 0.000 0.719 266 E CB -1.290 28.582 29.700 0.286 0.000 1.236 266 E HN 1.174 nan 8.360 nan 0.000 0.386 267 G N -0.016 108.866 108.800 0.138 0.000 2.162 267 G HA2 -0.363 3.579 3.960 -0.029 0.000 0.260 267 G HA3 -0.363 3.579 3.960 -0.029 0.000 0.260 267 G C 0.167 175.143 174.900 0.128 0.000 0.976 267 G CA 0.715 45.933 45.100 0.196 0.000 0.655 267 G HN 0.306 nan 8.290 nan 0.000 0.533 268 R N -0.075 120.516 120.500 0.152 0.000 2.686 268 R HA 0.655 4.977 4.340 -0.029 0.000 0.283 268 R C -0.002 176.423 176.300 0.208 0.000 0.978 268 R CA 0.050 56.242 56.100 0.155 0.000 0.897 268 R CB 1.990 32.405 30.300 0.191 0.000 1.192 268 R HN 0.458 nan 8.270 nan 0.000 0.457 269 S N 0.630 116.453 115.700 0.206 0.000 2.689 269 S HA 0.907 5.359 4.470 -0.029 0.000 0.306 269 S C -0.767 173.987 174.600 0.258 0.000 1.104 269 S CA -0.724 57.642 58.200 0.278 0.000 0.973 269 S CB 2.296 65.657 63.200 0.270 0.000 1.121 269 S HN 0.704 nan 8.310 nan 0.000 0.523 270 A N 0.623 123.475 122.820 0.054 0.000 2.556 270 A HA 0.784 5.087 4.320 -0.029 0.000 0.294 270 A C -1.252 176.044 177.584 -0.480 0.000 1.091 270 A CA -0.781 51.032 52.037 -0.374 0.000 0.704 270 A CB 1.547 20.046 19.000 -0.835 0.000 1.300 270 A HN 1.023 nan 8.150 nan 0.000 0.406 271 V N 0.798 120.243 119.914 -0.781 0.000 2.555 271 V HA 0.719 4.822 4.120 -0.029 0.000 0.302 271 V C -1.255 174.349 176.094 -0.816 0.000 1.038 271 V CA -0.259 61.713 62.300 -0.546 0.000 0.887 271 V CB 1.116 32.684 31.823 -0.425 0.000 0.991 271 V HN 0.692 nan 8.190 nan 0.000 0.434 272 F N 4.276 124.190 119.950 -0.059 0.000 2.569 272 F HA 0.642 5.151 4.527 -0.029 0.000 0.312 272 F C -0.475 175.286 175.800 -0.064 0.000 1.109 272 F CA -0.788 57.184 58.000 -0.047 0.000 0.919 272 F CB 1.915 40.916 39.000 0.002 0.000 1.211 272 F HN 0.138 nan 8.300 nan 0.000 0.446 273 I N 2.827 123.461 120.570 0.107 0.000 2.382 273 I HA 0.245 4.398 4.170 -0.029 0.000 0.286 273 I C -0.327 175.810 176.117 0.033 0.000 1.002 273 I CA -0.817 60.507 61.300 0.039 0.000 1.135 273 I CB 1.126 39.138 38.000 0.020 0.000 1.288 273 I HN 0.614 nan 8.210 nan 0.000 0.448 274 D N 5.603 125.994 120.400 -0.015 0.000 2.686 274 D HA -0.194 4.429 4.640 -0.029 0.000 0.235 274 D C 1.384 177.689 176.300 0.008 0.000 1.160 274 D CA 1.663 55.649 54.000 -0.022 0.000 0.645 274 D CB -0.788 40.012 40.800 -0.000 0.000 1.039 274 D HN 1.134 nan 8.370 nan 0.000 0.423 275 G N -0.202 108.606 108.800 0.013 0.000 2.234 275 G HA2 -0.379 3.564 3.960 -0.029 0.000 0.260 275 G HA3 -0.379 3.564 3.960 -0.029 0.000 0.260 275 G C 0.173 175.207 174.900 0.223 0.000 0.987 275 G CA 0.517 45.666 45.100 0.082 0.000 0.625 275 G HN 0.620 nan 8.290 nan 0.000 0.532 276 E N 0.649 120.969 120.200 0.200 0.000 2.229 276 E HA 0.517 4.850 4.350 -0.029 0.000 0.283 276 E C 0.688 177.421 176.600 0.222 0.000 1.030 276 E CA -0.979 55.535 56.400 0.190 0.000 0.836 276 E CB 0.447 30.201 29.700 0.090 0.000 1.068 276 E HN 0.241 nan 8.360 nan 0.000 0.401 277 R N 2.987 123.620 120.500 0.221 0.000 2.538 277 R HA 0.043 4.365 4.340 -0.029 0.000 0.282 277 R C -1.312 174.903 176.300 -0.142 0.000 1.009 277 R CA 0.205 56.260 56.100 -0.075 0.000 1.063 277 R CB 0.362 30.634 30.300 -0.046 0.000 0.945 277 R HN 0.265 nan 8.270 nan 0.000 0.414 278 V N 5.161 124.911 119.914 -0.274 0.000 2.357 278 V HA 0.185 4.288 4.120 -0.029 0.000 0.284 278 V C -0.048 175.891 176.094 -0.259 0.000 1.018 278 V CA -0.868 61.309 62.300 -0.206 0.000 0.841 278 V CB 1.301 33.017 31.823 -0.177 0.000 0.991 278 V HN 0.788 nan 8.190 nan 0.000 0.437 279 E N 3.110 123.203 120.200 -0.179 0.000 2.608 279 E HA 0.370 4.703 4.350 -0.029 0.000 0.259 279 E C 0.077 176.557 176.600 -0.200 0.000 0.951 279 E CA 0.778 57.079 56.400 -0.164 0.000 0.945 279 E CB 0.602 30.242 29.700 -0.101 0.000 0.916 279 E HN 0.948 nan 8.360 nan 0.000 0.477 280 A N 4.637 127.326 122.820 -0.218 0.000 2.594 280 A HA 0.605 4.907 4.320 -0.029 0.000 0.295 280 A C -2.646 174.865 177.584 -0.123 0.000 1.071 280 A CA -1.604 50.282 52.037 -0.252 0.000 0.685 280 A CB 1.093 19.730 19.000 -0.605 0.000 1.285 280 A HN 0.494 nan 8.150 nan 0.000 0.405 281 P HA 0.135 nan 4.420 nan 0.000 0.265 281 P C -0.393 176.797 177.300 -0.183 0.000 1.193 281 P CA 0.049 62.956 63.100 -0.321 0.000 0.765 281 P CB 0.392 31.602 31.700 -0.817 0.000 0.823 282 Q N 1.602 121.376 119.800 -0.043 0.000 2.315 282 Q HA 0.331 4.654 4.340 -0.029 0.000 0.289 282 Q C 0.664 176.797 176.000 0.222 0.000 1.044 282 Q CA 1.118 56.980 55.803 0.097 0.000 0.920 282 Q CB -0.125 28.670 28.738 0.096 0.000 1.214 282 Q HN 0.770 nan 8.270 nan 0.000 0.392 283 G N 3.425 112.315 108.800 0.149 0.000 2.217 283 G HA2 -0.112 3.831 3.960 -0.029 0.000 0.126 283 G HA3 -0.112 3.831 3.960 -0.029 0.000 0.126 283 G C -1.279 173.549 174.900 -0.120 0.000 1.293 283 G CA -0.598 44.542 45.100 0.066 0.000 1.219 283 G HN 0.642 nan 8.290 nan 0.000 0.477 284 N N 0.407 118.936 118.700 -0.284 0.000 2.229 284 N HA 0.648 5.371 4.740 -0.029 0.000 0.298 284 N C -1.529 173.647 175.510 -0.555 0.000 1.114 284 N CA -0.380 52.460 53.050 -0.351 0.000 0.776 284 N CB 1.855 40.250 38.487 -0.154 0.000 1.501 284 N HN 0.594 nan 8.380 nan 0.000 0.474 285 H N -0.978 118.125 119.070 0.055 0.000 2.731 285 H HA 0.614 5.153 4.556 -0.028 0.000 0.368 285 H C 0.640 175.955 175.328 -0.021 0.000 1.168 285 H CA -0.735 55.325 56.048 0.019 0.000 1.181 285 H CB 1.736 31.500 29.762 0.004 0.000 1.743 285 H HN 0.617 nan 8.280 nan 0.000 0.547 286 G N -0.115 108.696 108.800 0.018 0.000 3.019 286 G HA2 0.240 4.183 3.960 -0.029 0.000 0.152 286 G HA3 0.240 4.183 3.960 -0.029 0.000 0.152 286 G C -0.463 174.245 174.900 -0.319 0.000 1.320 286 G CA -1.066 43.962 45.100 -0.119 0.000 1.013 286 G HN 0.738 nan 8.290 nan 0.000 0.593 287 R N -0.971 119.111 120.500 -0.696 0.000 2.694 287 R HA 0.401 4.723 4.340 -0.029 0.000 0.268 287 R C -1.133 174.702 176.300 -0.775 0.000 1.061 287 R CA -0.288 54.949 56.100 -1.439 0.000 1.133 287 R CB 0.735 30.085 30.300 -1.584 0.000 1.020 287 R HN 0.119 nan 8.270 nan 0.000 0.475 288 V N 3.512 122.972 119.914 -0.756 0.000 2.459 288 V HA 0.401 4.504 4.120 -0.029 0.000 0.295 288 V C 0.102 176.164 176.094 -0.054 0.000 1.029 288 V CA -0.732 61.446 62.300 -0.203 0.000 0.874 288 V CB 1.345 33.178 31.823 0.016 0.000 0.985 288 V HN 0.728 nan 8.190 nan 0.000 0.438 289 V N 3.495 123.425 119.914 0.027 0.000 2.864 289 V HA 0.775 4.878 4.120 -0.029 0.000 0.314 289 V C -0.879 175.366 176.094 0.252 0.000 1.073 289 V CA -1.067 61.351 62.300 0.197 0.000 0.956 289 V CB 1.976 33.841 31.823 0.069 0.000 1.023 289 V HN 0.679 nan 8.190 nan 0.000 0.435 290 L N 4.217 125.667 121.223 0.378 0.000 2.264 290 L HA 0.693 5.015 4.340 -0.029 0.000 0.289 290 L C -1.142 175.980 176.870 0.420 0.000 1.044 290 L CA -0.024 54.993 54.840 0.295 0.000 0.807 290 L CB 1.089 43.246 42.059 0.163 0.000 1.192 290 L HN 0.960 nan 8.230 nan 0.000 0.425 291 W N 6.935 128.307 121.300 0.120 0.000 2.647 291 W HA 0.501 5.144 4.660 -0.029 0.000 0.328 291 W C 0.003 176.563 176.519 0.070 0.000 1.018 291 W CA -0.986 56.421 57.345 0.103 0.000 1.245 291 W CB 0.698 30.205 29.460 0.079 0.000 1.356 291 W HN 0.657 nan 8.180 nan 0.000 0.443 292 R N 4.597 124.913 120.500 -0.307 0.000 3.333 292 R HA -0.185 4.137 4.340 -0.029 0.000 0.256 292 R C 1.178 177.357 176.300 -0.201 0.000 1.010 292 R CA 1.270 57.139 56.100 -0.385 0.000 0.680 292 R CB -1.682 28.160 30.300 -0.764 0.000 1.102 292 R HN 1.454 nan 8.270 nan 0.000 0.440 293 G N -0.326 108.428 108.800 -0.076 0.000 2.189 293 G HA2 -0.429 3.514 3.960 -0.029 0.000 0.267 293 G HA3 -0.429 3.514 3.960 -0.029 0.000 0.267 293 G C 0.109 175.002 174.900 -0.012 0.000 0.975 293 G CA 1.142 46.219 45.100 -0.039 0.000 0.644 293 G HN 0.643 nan 8.290 nan 0.000 0.537 294 K N -0.322 120.083 120.400 0.009 0.000 2.295 294 K HA 0.840 5.143 4.320 -0.029 0.000 0.239 294 K C -0.140 176.529 176.600 0.115 0.000 0.991 294 K CA -1.304 55.011 56.287 0.047 0.000 0.845 294 K CB 1.791 34.311 32.500 0.034 0.000 1.197 294 K HN 0.109 nan 8.250 nan 0.000 0.441 295 L N 1.786 123.060 121.223 0.085 0.000 2.312 295 L HA 0.461 4.783 4.340 -0.029 0.000 0.281 295 L C -0.791 176.130 176.870 0.084 0.000 1.070 295 L CA -1.039 53.849 54.840 0.079 0.000 0.805 295 L CB 1.582 43.656 42.059 0.026 0.000 1.174 295 L HN 0.407 nan 8.230 nan 0.000 0.434 296 V N 1.935 121.894 119.914 0.075 0.000 2.760 296 V HA 0.625 4.727 4.120 -0.029 0.000 0.309 296 V C -0.235 175.832 176.094 -0.045 0.000 1.077 296 V CA -0.399 61.916 62.300 0.025 0.000 0.910 296 V CB 2.282 34.131 31.823 0.043 0.000 1.008 296 V HN 0.852 nan 8.190 nan 0.000 0.424 297 T N 1.740 116.254 114.554 -0.067 0.000 2.778 297 T HA 0.631 4.963 4.350 -0.029 0.000 0.293 297 T C -0.486 174.178 174.700 -0.060 0.000 1.144 297 T CA 0.063 62.111 62.100 -0.086 0.000 1.010 297 T CB 2.006 70.839 68.868 -0.060 0.000 1.325 297 T HN 0.979 nan 8.240 nan 0.000 0.515 298 S N 0.998 116.668 115.700 -0.051 0.000 2.617 298 S HA 0.597 5.049 4.470 -0.029 0.000 0.283 298 S C -0.721 173.933 174.600 0.090 0.000 1.189 298 S CA -0.660 57.527 58.200 -0.021 0.000 1.036 298 S CB 1.012 64.171 63.200 -0.068 0.000 1.014 298 S HN 0.862 nan 8.310 nan 0.000 0.522 299 H N -0.096 118.946 119.070 -0.047 0.000 2.806 299 H HA 0.590 5.129 4.556 -0.029 0.000 0.367 299 H C -1.452 173.813 175.328 -0.106 0.000 1.136 299 H CA -0.365 55.636 56.048 -0.079 0.000 1.178 299 H CB 2.204 31.961 29.762 -0.009 0.000 1.718 299 H HN 0.800 nan 8.280 nan 0.000 0.540 300 T N 2.077 116.174 114.554 -0.762 0.000 2.864 300 T HA 0.528 4.860 4.350 -0.029 0.000 0.299 300 T C -1.318 173.011 174.700 -0.618 0.000 1.166 300 T CA -0.135 61.573 62.100 -0.654 0.000 1.007 300 T CB 1.427 70.144 68.868 -0.252 0.000 1.219 300 T HN 0.826 nan 8.240 nan 0.000 0.506 301 S N 1.989 117.506 115.700 -0.305 0.000 2.688 301 S HA 0.475 4.928 4.470 -0.029 0.000 0.275 301 S C 0.814 175.445 174.600 0.052 0.000 1.175 301 S CA -0.888 57.253 58.200 -0.098 0.000 0.818 301 S CB 0.530 63.728 63.200 -0.004 0.000 1.157 301 S HN 0.629 nan 8.310 nan 0.000 0.482 302 L N 1.446 122.681 121.223 0.021 0.000 2.187 302 L HA -0.028 4.295 4.340 -0.029 0.000 0.213 302 L C 2.154 179.140 176.870 0.194 0.000 1.100 302 L CA 1.621 56.474 54.840 0.022 0.000 0.765 302 L CB -0.423 41.617 42.059 -0.031 0.000 0.904 302 L HN 0.905 nan 8.230 nan 0.000 0.437 303 S N -3.693 112.150 115.700 0.239 0.000 2.578 303 S HA 0.137 4.589 4.470 -0.029 0.000 0.231 303 S C 0.506 175.244 174.600 0.231 0.000 0.994 303 S CA -0.479 57.906 58.200 0.308 0.000 0.956 303 S CB 0.373 63.680 63.200 0.178 0.000 0.870 303 S HN 0.126 nan 8.310 nan 0.000 0.494 304 T N 4.502 119.157 114.554 0.168 0.000 2.963 304 T HA 0.456 4.788 4.350 -0.029 0.000 0.328 304 T C -3.086 171.447 174.700 -0.277 0.000 1.048 304 T CA -1.393 60.644 62.100 -0.105 0.000 1.033 304 T CB 1.573 70.360 68.868 -0.135 0.000 1.010 304 T HN 0.005 nan 8.240 nan 0.000 0.469 305 P HA 0.142 nan 4.420 nan 0.000 0.265 305 P C -2.534 174.504 177.300 -0.436 0.000 1.187 305 P CA -1.106 61.415 63.100 -0.965 0.000 0.766 305 P CB -0.386 30.608 31.700 -1.176 0.000 0.820 306 P HA -0.052 nan 4.420 nan 0.000 0.257 306 P C -0.206 177.030 177.300 -0.107 0.000 1.162 306 P CA 0.931 63.925 63.100 -0.177 0.000 0.762 306 P CB 0.160 31.785 31.700 -0.125 0.000 0.753 307 R N 2.759 123.213 120.500 -0.077 0.000 2.817 307 R HA 0.714 5.037 4.340 -0.029 0.000 0.268 307 R C -1.167 175.095 176.300 -0.064 0.000 1.027 307 R CA -1.056 55.028 56.100 -0.028 0.000 0.928 307 R CB 1.139 31.409 30.300 -0.050 0.000 1.228 307 R HN 0.059 nan 8.270 nan 0.000 0.469 308 I N 2.515 122.987 120.570 -0.164 0.000 2.354 308 I HA 0.382 4.535 4.170 -0.029 0.000 0.292 308 I C 0.176 176.183 176.117 -0.183 0.000 0.989 308 I CA -0.878 60.295 61.300 -0.212 0.000 1.188 308 I CB 1.208 38.971 38.000 -0.393 0.000 1.342 308 I HN 0.630 nan 8.210 nan 0.000 0.457 309 V N 2.698 122.552 119.914 -0.100 0.000 2.914 309 V HA 0.715 4.817 4.120 -0.029 0.000 0.314 309 V C -0.024 176.042 176.094 -0.045 0.000 1.084 309 V CA -0.754 61.507 62.300 -0.065 0.000 0.963 309 V CB 1.842 33.653 31.823 -0.019 0.000 1.025 309 V HN 0.743 nan 8.190 nan 0.000 0.432 310 S N 2.729 118.420 115.700 -0.014 0.000 2.565 310 S HA 0.719 5.172 4.470 -0.029 0.000 0.274 310 S C -0.511 174.083 174.600 -0.010 0.000 1.309 310 S CA -0.511 57.704 58.200 0.025 0.000 1.043 310 S CB 0.113 63.351 63.200 0.064 0.000 0.939 310 S HN 0.707 nan 8.310 nan 0.000 0.504 311 L N 5.124 126.340 121.223 -0.013 0.000 2.333 311 L HA 0.511 4.833 4.340 -0.029 0.000 0.269 311 L C -1.533 175.319 176.870 -0.030 0.000 1.010 311 L CA -2.110 52.701 54.840 -0.048 0.000 0.818 311 L CB 2.023 44.031 42.059 -0.085 0.000 1.306 311 L HN 0.535 nan 8.230 nan 0.000 0.430 312 P HA -0.012 nan 4.420 nan 0.000 0.249 312 P C 1.113 178.378 177.300 -0.058 0.000 1.229 312 P CA 0.306 63.366 63.100 -0.066 0.000 0.788 312 P CB 0.342 32.004 31.700 -0.063 0.000 1.072 313 S N -0.291 115.386 115.700 -0.038 0.000 2.399 313 S HA 0.035 4.487 4.470 -0.029 0.000 0.231 313 S C 1.904 176.478 174.600 -0.043 0.000 1.022 313 S CA 1.202 59.383 58.200 -0.032 0.000 0.983 313 S CB -1.636 61.554 63.200 -0.015 0.000 0.803 313 S HN 0.300 nan 8.310 nan 0.000 0.480 314 G N 0.717 109.485 108.800 -0.053 0.000 2.179 314 G HA2 -0.213 3.730 3.960 -0.029 0.000 0.260 314 G HA3 -0.213 3.730 3.960 -0.029 0.000 0.260 314 G C -0.231 174.644 174.900 -0.041 0.000 0.977 314 G CA 0.156 45.216 45.100 -0.067 0.000 0.641 314 G HN 0.537 nan 8.290 nan 0.000 0.533 315 E N 1.751 121.937 120.200 -0.024 0.000 2.366 315 E HA 0.253 4.585 4.350 -0.029 0.000 0.266 315 E C -2.051 174.535 176.600 -0.024 0.000 1.015 315 E CA -1.359 55.032 56.400 -0.014 0.000 0.906 315 E CB 1.021 30.723 29.700 0.004 0.000 0.979 315 E HN 0.345 nan 8.360 nan 0.000 0.443 316 P HA 0.100 nan 4.420 nan 0.000 0.281 316 P C 0.568 177.800 177.300 -0.113 0.000 1.252 316 P CA -0.077 62.975 63.100 -0.080 0.000 0.778 316 P CB 0.941 32.598 31.700 -0.071 0.000 0.895 317 L N 2.534 123.624 121.223 -0.223 0.000 2.168 317 L HA 0.218 4.540 4.340 -0.029 0.000 0.203 317 L C 1.012 177.525 176.870 -0.596 0.000 1.078 317 L CA 0.993 55.602 54.840 -0.386 0.000 0.780 317 L CB -0.236 41.421 42.059 -0.671 0.000 0.939 317 L HN 0.327 nan 8.230 nan 0.000 0.451 318 L N 0.553 121.402 121.223 -0.622 0.000 2.491 318 L HA 0.400 4.722 4.340 -0.029 0.000 0.267 318 L C -0.885 175.681 176.870 -0.507 0.000 0.971 318 L CA -0.088 54.290 54.840 -0.771 0.000 0.857 318 L CB 2.572 43.851 42.059 -1.299 0.000 1.226 318 L HN 0.042 nan 8.230 nan 0.000 0.408 319 E N 2.307 122.349 120.200 -0.264 0.000 2.274 319 E HA 0.470 4.803 4.350 -0.029 0.000 0.269 319 E C -0.487 176.125 176.600 0.020 0.000 0.891 319 E CA -0.664 55.696 56.400 -0.068 0.000 0.784 319 E CB 2.104 31.752 29.700 -0.085 0.000 1.225 319 E HN 0.638 nan 8.360 nan 0.000 0.412 320 G N 2.665 111.502 108.800 0.063 0.000 2.365 320 G HA2 0.411 4.354 3.960 -0.029 0.000 0.293 320 G HA3 0.411 4.354 3.960 -0.029 0.000 0.293 320 G C 0.302 175.132 174.900 -0.117 0.000 1.128 320 G CA -0.125 44.950 45.100 -0.041 0.000 0.971 320 G HN 0.460 nan 8.290 nan 0.000 0.422 321 G N 1.781 110.529 108.800 -0.086 0.000 2.354 321 G HA2 0.356 4.298 3.960 -0.029 0.000 0.266 321 G HA3 0.356 4.298 3.960 -0.029 0.000 0.266 321 G C 0.063 174.897 174.900 -0.110 0.000 1.242 321 G CA -0.481 44.567 45.100 -0.087 0.000 0.923 321 G HN 0.653 nan 8.290 nan 0.000 0.476 322 L N 5.747 126.888 121.223 -0.136 0.000 2.456 322 L HA 0.318 4.640 4.340 -0.029 0.000 0.277 322 L C -1.720 175.127 176.870 -0.040 0.000 1.124 322 L CA -1.578 53.190 54.840 -0.120 0.000 0.880 322 L CB 0.366 42.339 42.059 -0.143 0.000 1.192 322 L HN 0.275 nan 8.230 nan 0.000 0.463 323 P HA 0.007 nan 4.420 nan 0.000 0.266 323 P C 0.245 177.558 177.300 0.022 0.000 1.193 323 P CA 0.007 63.108 63.100 0.003 0.000 0.770 323 P CB 0.674 32.380 31.700 0.010 0.000 0.836 324 E N 1.917 122.130 120.200 0.021 0.000 2.153 324 E HA -0.208 4.124 4.350 -0.029 0.000 0.194 324 E C 1.337 177.961 176.600 0.040 0.000 0.988 324 E CA 1.543 57.961 56.400 0.030 0.000 0.811 324 E CB -0.336 29.378 29.700 0.024 0.000 0.746 324 E HN 0.512 nan 8.360 nan 0.000 0.466 325 D N 0.098 120.520 120.400 0.037 0.000 2.117 325 D HA -0.202 4.421 4.640 -0.029 0.000 0.198 325 D C 1.995 178.329 176.300 0.057 0.000 0.982 325 D CA 0.915 54.940 54.000 0.042 0.000 0.828 325 D CB -0.612 40.209 40.800 0.035 0.000 0.967 325 D HN 0.324 nan 8.370 nan 0.000 0.464 326 L N 0.019 121.282 121.223 0.067 0.000 2.056 326 L HA -0.038 4.285 4.340 -0.029 0.000 0.207 326 L C 3.040 179.981 176.870 0.119 0.000 1.078 326 L CA 0.901 55.799 54.840 0.097 0.000 0.749 326 L CB -0.477 41.651 42.059 0.114 0.000 0.901 326 L HN 0.005 nan 8.230 nan 0.000 0.433 327 R N 0.774 121.338 120.500 0.106 0.000 2.083 327 R HA -0.221 4.102 4.340 -0.029 0.000 0.237 327 R C 2.646 179.003 176.300 0.095 0.000 1.137 327 R CA 2.033 58.200 56.100 0.112 0.000 0.951 327 R CB -0.203 30.146 30.300 0.082 0.000 0.851 327 R HN 0.261 nan 8.270 nan 0.000 0.434 328 R N 0.577 121.122 120.500 0.075 0.000 2.189 328 R HA -0.064 4.258 4.340 -0.029 0.000 0.223 328 R C 2.169 178.510 176.300 0.070 0.000 1.092 328 R CA 1.725 57.865 56.100 0.066 0.000 0.989 328 R CB -1.409 28.922 30.300 0.051 0.000 0.876 328 R HN 0.698 nan 8.270 nan 0.000 0.457 329 S N -0.194 115.550 115.700 0.075 0.000 2.447 329 S HA 0.074 4.526 4.470 -0.029 0.000 0.233 329 S C 0.930 175.582 174.600 0.086 0.000 1.006 329 S CA 0.536 58.779 58.200 0.073 0.000 0.957 329 S CB -0.343 62.900 63.200 0.072 0.000 0.773 329 S HN 0.516 nan 8.310 nan 0.000 0.507 330 I N 1.967 122.594 120.570 0.095 0.000 2.282 330 I HA 0.339 4.491 4.170 -0.029 0.000 0.290 330 I C 1.208 177.384 176.117 0.098 0.000 1.090 330 I CA -0.382 60.979 61.300 0.102 0.000 1.231 330 I CB 1.103 39.164 38.000 0.101 0.000 1.434 330 I HN 0.256 nan 8.210 nan 0.000 0.487 331 A N 4.935 127.817 122.820 0.102 0.000 2.119 331 A HA 0.456 4.758 4.320 -0.029 0.000 0.216 331 A C 1.076 178.711 177.584 0.085 0.000 1.152 331 A CA 0.850 52.940 52.037 0.089 0.000 0.708 331 A CB -0.036 19.019 19.000 0.091 0.000 0.805 331 A HN 0.732 nan 8.150 nan 0.000 0.460 332 G N -1.741 107.115 108.800 0.094 0.000 2.547 332 G HA2 0.506 4.449 3.960 -0.029 0.000 0.291 332 G HA3 0.506 4.449 3.960 -0.029 0.000 0.291 332 G C -1.026 173.936 174.900 0.102 0.000 1.471 332 G CA 0.242 45.395 45.100 0.089 0.000 0.798 332 G HN 0.982 nan 8.290 nan 0.000 0.504 333 S N -0.249 115.514 115.700 0.105 0.000 2.572 333 S HA 0.838 5.291 4.470 -0.029 0.000 0.274 333 S C -0.760 173.907 174.600 0.111 0.000 1.150 333 S CA -0.972 57.304 58.200 0.127 0.000 0.944 333 S CB 2.444 65.734 63.200 0.151 0.000 1.071 333 S HN 0.789 nan 8.310 nan 0.000 0.479 334 R N 0.559 121.111 120.500 0.087 0.000 2.807 334 R HA 0.627 4.950 4.340 -0.029 0.000 0.276 334 R C -1.597 174.617 176.300 -0.143 0.000 0.979 334 R CA -1.025 55.084 56.100 0.015 0.000 0.928 334 R CB 1.719 32.042 30.300 0.038 0.000 1.191 334 R HN 0.609 nan 8.270 nan 0.000 0.471 335 L N 3.371 124.428 121.223 -0.277 0.000 2.265 335 L HA 0.458 4.781 4.340 -0.029 0.000 0.289 335 L C -0.714 175.859 176.870 -0.496 0.000 1.033 335 L CA -0.389 54.063 54.840 -0.646 0.000 0.814 335 L CB 1.451 43.091 42.059 -0.698 0.000 1.203 335 L HN 0.482 nan 8.230 nan 0.000 0.423 336 V N 1.719 121.232 119.914 -0.667 0.000 3.019 336 V HA 0.696 4.799 4.120 -0.029 0.000 0.317 336 V C -1.393 174.197 176.094 -0.839 0.000 1.094 336 V CA -0.787 61.170 62.300 -0.572 0.000 1.000 336 V CB 1.853 33.286 31.823 -0.650 0.000 1.060 336 V HN 0.795 nan 8.190 nan 0.000 0.443 337 W N 1.362 122.431 121.300 -0.385 0.000 2.394 337 W HA 0.677 5.321 4.660 -0.028 0.000 0.312 337 W C -0.337 175.995 176.519 -0.312 0.000 0.981 337 W CA -0.757 56.390 57.345 -0.330 0.000 1.519 337 W CB 1.240 30.555 29.460 -0.242 0.000 1.304 337 W HN 0.499 nan 8.180 nan 0.000 0.412 338 V N 2.725 122.489 119.914 -0.249 0.000 2.599 338 V HA -0.094 4.008 4.120 -0.029 0.000 0.300 338 V C 0.611 176.727 176.094 0.037 0.000 1.034 338 V CA 0.136 62.350 62.300 -0.143 0.000 1.115 338 V CB 0.729 32.488 31.823 -0.107 0.000 0.934 338 V HN 0.403 nan 8.190 nan 0.000 0.485 339 E N 4.064 124.324 120.200 0.100 0.000 2.223 339 E HA 0.329 4.661 4.350 -0.029 0.000 0.282 339 E C -0.040 176.647 176.600 0.146 0.000 1.046 339 E CA 0.257 56.722 56.400 0.108 0.000 0.857 339 E CB 1.131 30.895 29.700 0.107 0.000 1.055 339 E HN 0.711 nan 8.360 nan 0.000 0.409 340 S N 3.171 118.964 115.700 0.155 0.000 2.758 340 S HA 0.275 4.728 4.470 -0.029 0.000 0.292 340 S C 0.841 175.562 174.600 0.202 0.000 1.131 340 S CA -0.445 57.903 58.200 0.246 0.000 0.997 340 S CB 0.121 63.529 63.200 0.347 0.000 1.111 340 S HN 0.608 nan 8.310 nan 0.000 0.552 341 F N 1.191 121.208 119.950 0.112 0.000 2.202 341 F HA -0.011 4.498 4.527 -0.030 0.000 0.301 341 F C 1.426 177.276 175.800 0.082 0.000 1.082 341 F CA 1.546 59.598 58.000 0.086 0.000 1.313 341 F CB -0.301 38.745 39.000 0.077 0.000 1.024 341 F HN 0.519 nan 8.300 nan 0.000 0.495 342 D N -0.907 118.949 120.400 -0.907 0.000 2.402 342 D HA 0.233 4.855 4.640 -0.029 0.000 0.216 342 D C 1.677 177.808 176.300 -0.281 0.000 1.128 342 D CA 0.311 53.886 54.000 -0.709 0.000 0.833 342 D CB 0.133 40.291 40.800 -1.070 0.000 0.971 342 D HN 0.497 nan 8.370 nan 0.000 0.503 343 G N -0.058 108.652 108.800 -0.149 0.000 2.175 343 G HA2 -0.265 3.678 3.960 -0.029 0.000 0.244 343 G HA3 -0.265 3.678 3.960 -0.029 0.000 0.244 343 G C 0.299 175.182 174.900 -0.028 0.000 0.982 343 G CA 0.151 45.216 45.100 -0.059 0.000 0.641 343 G HN 0.393 nan 8.290 nan 0.000 0.527 344 S N 0.614 116.315 115.700 0.002 0.000 2.564 344 S HA 0.493 4.945 4.470 -0.029 0.000 0.278 344 S C 0.691 175.303 174.600 0.020 0.000 1.333 344 S CA -0.175 58.061 58.200 0.060 0.000 1.048 344 S CB 0.794 64.189 63.200 0.326 0.000 0.900 344 S HN 0.481 nan 8.310 nan 0.000 0.505 345 R N 1.565 122.009 120.500 -0.093 0.000 2.229 345 R HA 0.379 4.701 4.340 -0.029 0.000 0.328 345 R C -1.201 175.003 176.300 -0.159 0.000 1.009 345 R CA -0.489 55.590 56.100 -0.035 0.000 0.864 345 R CB 0.858 31.163 30.300 0.007 0.000 1.085 345 R HN 0.320 nan 8.270 nan 0.000 0.453 346 V N 5.970 125.836 119.914 -0.078 0.000 2.334 346 V HA 0.199 4.302 4.120 -0.029 0.000 0.267 346 V C -1.990 173.876 176.094 -0.380 0.000 1.040 346 V CA -2.192 60.025 62.300 -0.139 0.000 0.866 346 V CB 1.050 32.945 31.823 0.120 0.000 1.019 346 V HN 0.619 nan 8.190 nan 0.000 0.468 347 P HA 0.216 nan 4.420 nan 0.000 0.271 347 P C -0.272 176.546 177.300 -0.804 0.000 1.233 347 P CA 0.235 62.538 63.100 -1.328 0.000 0.764 347 P CB 0.416 31.009 31.700 -1.845 0.000 0.825 348 T N 4.011 118.086 114.554 -0.799 0.000 2.881 348 T HA 0.332 4.664 4.350 -0.029 0.000 0.291 348 T C -0.628 173.782 174.700 -0.484 0.000 0.990 348 T CA -0.199 61.620 62.100 -0.468 0.000 0.976 348 T CB 0.297 68.892 68.868 -0.454 0.000 0.970 348 T HN 0.108 nan 8.240 nan 0.000 0.438 349 Y N 1.847 122.028 120.300 -0.199 0.000 2.299 349 Y HA 0.520 5.051 4.550 -0.031 0.000 0.326 349 Y C 0.279 176.147 175.900 -0.054 0.000 1.164 349 Y CA -0.334 57.694 58.100 -0.121 0.000 1.234 349 Y CB 1.006 39.428 38.460 -0.064 0.000 1.219 349 Y HN 0.291 nan 8.280 nan 0.000 0.497 350 V N 5.424 125.409 119.914 0.119 0.000 2.577 350 V HA 0.357 4.459 4.120 -0.029 0.000 0.303 350 V C -0.643 175.553 176.094 0.169 0.000 1.042 350 V CA -1.061 61.331 62.300 0.154 0.000 0.872 350 V CB 1.788 33.713 31.823 0.170 0.000 0.998 350 V HN 0.540 nan 8.190 nan 0.000 0.423 351 L N 3.827 125.155 121.223 0.175 0.000 2.287 351 L HA 0.569 4.892 4.340 -0.029 0.000 0.287 351 L C -0.124 176.865 176.870 0.200 0.000 1.022 351 L CA -0.614 54.322 54.840 0.161 0.000 0.814 351 L CB 1.734 43.872 42.059 0.132 0.000 1.217 351 L HN 0.619 nan 8.230 nan 0.000 0.420 352 E N 1.679 121.976 120.200 0.161 0.000 2.229 352 E HA 0.169 4.501 4.350 -0.029 0.000 0.283 352 E C -0.250 176.532 176.600 0.304 0.000 1.030 352 E CA -0.096 56.432 56.400 0.213 0.000 0.836 352 E CB 1.453 31.164 29.700 0.018 0.000 1.068 352 E HN 0.412 nan 8.360 nan 0.000 0.401 353 S N 2.071 118.055 115.700 0.473 0.000 2.528 353 S HA 0.234 4.686 4.470 -0.029 0.000 0.277 353 S C 1.284 175.983 174.600 0.166 0.000 1.297 353 S CA -0.242 58.080 58.200 0.203 0.000 1.052 353 S CB 0.672 63.892 63.200 0.033 0.000 0.917 353 S HN 0.697 nan 8.310 nan 0.000 0.492 354 G N 3.803 112.666 108.800 0.105 0.000 2.776 354 G HA2 -0.011 3.931 3.960 -0.029 0.000 0.209 354 G HA3 -0.011 3.931 3.960 -0.029 0.000 0.209 354 G C 1.113 176.037 174.900 0.040 0.000 1.145 354 G CA -0.071 45.075 45.100 0.077 0.000 0.791 354 G HN 0.744 nan 8.290 nan 0.000 0.530 355 R N -0.398 120.107 120.500 0.009 0.000 2.468 355 R HA 0.494 4.817 4.340 -0.029 0.000 0.280 355 R C 0.389 176.625 176.300 -0.106 0.000 0.963 355 R CA 0.050 56.127 56.100 -0.038 0.000 1.083 355 R CB 0.790 31.067 30.300 -0.039 0.000 1.200 355 R HN 0.246 nan 8.270 nan 0.000 0.541 356 A N 1.409 124.159 122.820 -0.117 0.000 2.413 356 A HA 0.663 4.965 4.320 -0.029 0.000 0.307 356 A C -2.495 175.067 177.584 -0.036 0.000 1.087 356 A CA -1.686 50.229 52.037 -0.202 0.000 0.750 356 A CB 1.114 19.779 19.000 -0.558 0.000 1.296 356 A HN -0.093 nan 8.150 nan 0.000 0.423 357 P HA 0.485 nan 4.420 nan 0.000 0.279 357 P C -0.654 176.761 177.300 0.192 0.000 1.282 357 P CA -0.054 63.083 63.100 0.062 0.000 0.788 357 P CB 0.800 32.511 31.700 0.017 0.000 1.139 358 T N 1.293 115.929 114.554 0.136 0.000 2.965 358 T HA 0.381 4.713 4.350 -0.029 0.000 0.306 358 T C -2.332 172.393 174.700 0.041 0.000 0.991 358 T CA -0.808 61.362 62.100 0.117 0.000 1.001 358 T CB 0.752 69.641 68.868 0.035 0.000 0.984 358 T HN 0.407 nan 8.240 nan 0.000 0.446 359 P HA 0.613 nan 4.420 nan 0.000 0.274 359 P C -0.177 177.187 177.300 0.106 0.000 1.231 359 P CA -0.242 62.888 63.100 0.049 0.000 0.790 359 P CB 1.086 32.788 31.700 0.002 0.000 0.951 360 G N 0.930 109.844 108.800 0.191 0.000 2.695 360 G HA2 0.546 4.488 3.960 -0.029 0.000 0.290 360 G HA3 0.546 4.488 3.960 -0.029 0.000 0.290 360 G C -3.288 171.671 174.900 0.098 0.000 1.410 360 G CA -1.565 43.598 45.100 0.106 0.000 0.844 360 G HN 0.215 nan 8.290 nan 0.000 0.478 361 P HA 0.267 nan 4.420 nan 0.000 0.263 361 P C -0.420 177.064 177.300 0.306 0.000 1.195 361 P CA 0.524 63.732 63.100 0.181 0.000 0.762 361 P CB 0.895 32.623 31.700 0.046 0.000 0.799 362 T N 2.702 117.518 114.554 0.437 0.000 2.921 362 T HA 0.373 4.706 4.350 -0.029 0.000 0.297 362 T C -0.600 174.369 174.700 0.449 0.000 1.013 362 T CA -0.436 61.918 62.100 0.423 0.000 0.990 362 T CB 1.115 70.183 68.868 0.333 0.000 1.023 362 T HN -0.081 nan 8.240 nan 0.000 0.447 363 V N 3.489 123.621 119.914 0.363 0.000 2.370 363 V HA 0.325 4.428 4.120 -0.029 0.000 0.283 363 V C 0.189 176.413 176.094 0.218 0.000 1.023 363 V CA -0.821 61.626 62.300 0.245 0.000 0.857 363 V CB 1.672 33.528 31.823 0.054 0.000 0.985 363 V HN 0.749 nan 8.190 nan 0.000 0.443 364 V N 6.666 126.706 119.914 0.211 0.000 2.381 364 V HA 0.133 4.235 4.120 -0.029 0.000 0.257 364 V C 0.050 176.192 176.094 0.080 0.000 1.057 364 V CA -0.023 62.390 62.300 0.189 0.000 1.013 364 V CB 0.756 32.742 31.823 0.271 0.000 1.069 364 V HN 0.630 nan 8.190 nan 0.000 0.484 365 L N 7.944 129.239 121.223 0.119 0.000 2.259 365 L HA 0.459 4.781 4.340 -0.029 0.000 0.288 365 L C -0.092 176.875 176.870 0.162 0.000 1.051 365 L CA 0.400 55.305 54.840 0.109 0.000 0.824 365 L CB 1.144 43.273 42.059 0.116 0.000 1.206 365 L HN 0.395 nan 8.230 nan 0.000 0.429 366 V N 5.013 125.015 119.914 0.148 0.000 2.465 366 V HA 0.274 4.377 4.120 -0.029 0.000 0.279 366 V C 0.075 176.339 176.094 0.282 0.000 1.045 366 V CA -0.669 61.750 62.300 0.199 0.000 0.938 366 V CB 0.764 32.640 31.823 0.089 0.000 0.986 366 V HN 0.930 nan 8.190 nan 0.000 0.467 367 H N 2.474 121.777 119.070 0.387 0.000 2.607 367 H HA 0.693 5.231 4.556 -0.030 0.000 0.367 367 H C 0.526 176.107 175.328 0.421 0.000 1.181 367 H CA 0.091 56.326 56.048 0.312 0.000 1.402 367 H CB 0.711 30.583 29.762 0.185 0.000 1.474 367 H HN 0.681 nan 8.280 nan 0.000 0.596 368 G N -0.686 108.433 108.800 0.532 0.000 2.509 368 G HA2 0.491 4.434 3.960 -0.029 0.000 0.269 368 G HA3 0.491 4.434 3.960 -0.029 0.000 0.269 368 G C 0.483 175.692 174.900 0.515 0.000 1.416 368 G CA -0.425 44.975 45.100 0.500 0.000 1.052 368 G HN 1.302 nan 8.290 nan 0.000 0.542 369 G N -0.743 108.267 108.800 0.349 0.000 2.539 369 G HA2 -0.148 3.794 3.960 -0.029 0.000 0.230 369 G HA3 -0.148 3.794 3.960 -0.029 0.000 0.230 369 G C -1.202 173.719 174.900 0.036 0.000 1.758 369 G CA 0.573 45.785 45.100 0.186 0.000 1.433 369 G HN 0.746 nan 8.290 nan 0.000 0.494 370 P HA 0.173 nan 4.420 nan 0.000 0.233 370 P C 0.522 177.897 177.300 0.125 0.000 1.167 370 P CA 0.447 63.422 63.100 -0.209 0.000 0.770 370 P CB -0.252 31.073 31.700 -0.625 0.000 0.837 371 F N 1.115 121.137 119.950 0.121 0.000 2.679 371 F HA 0.411 4.920 4.527 -0.029 0.000 0.351 371 F C 1.215 177.039 175.800 0.040 0.000 1.279 371 F CA -0.794 57.266 58.000 0.101 0.000 1.227 371 F CB -0.147 38.936 39.000 0.138 0.000 1.623 371 F HN 0.024 nan 8.300 nan 0.000 0.666 372 A N 2.596 125.512 122.820 0.160 0.000 2.515 372 A HA 0.806 5.109 4.320 -0.029 0.000 0.299 372 A C -1.154 176.186 177.584 -0.405 0.000 1.179 372 A CA -0.811 51.184 52.037 -0.069 0.000 0.656 372 A CB 2.029 21.008 19.000 -0.035 0.000 1.306 372 A HN 0.504 nan 8.150 nan 0.000 0.459 373 E N 0.368 120.290 120.200 -0.464 0.000 2.392 373 E HA 0.433 4.766 4.350 -0.029 0.000 0.279 373 E C -1.950 174.467 176.600 -0.304 0.000 0.964 373 E CA -0.854 55.276 56.400 -0.449 0.000 0.777 373 E CB 1.605 31.275 29.700 -0.050 0.000 1.249 373 E HN 0.417 nan 8.360 nan 0.000 0.449 374 D N 2.020 122.331 120.400 -0.148 0.000 2.317 374 D HA 0.246 4.869 4.640 -0.029 0.000 0.252 374 D C -0.280 175.992 176.300 -0.047 0.000 1.174 374 D CA 0.233 54.210 54.000 -0.039 0.000 0.866 374 D CB 1.585 42.459 40.800 0.125 0.000 1.127 374 D HN 0.527 nan 8.370 nan 0.000 0.467 375 S N 0.828 116.339 115.700 -0.314 0.000 2.851 375 S HA 0.250 4.702 4.470 -0.029 0.000 0.317 375 S C -0.267 173.757 174.600 -0.961 0.000 1.144 375 S CA -0.924 56.984 58.200 -0.486 0.000 0.862 375 S CB 1.718 64.810 63.200 -0.180 0.000 1.259 375 S HN 0.187 nan 8.310 nan 0.000 0.564 376 D N 1.171 121.158 120.400 -0.688 0.000 2.671 376 D HA 0.458 5.080 4.640 -0.029 0.000 0.228 376 D C -0.806 175.349 176.300 -0.240 0.000 1.102 376 D CA 0.249 53.992 54.000 -0.429 0.000 1.044 376 D CB -0.877 39.859 40.800 -0.107 0.000 1.113 376 D HN 0.424 nan 8.370 nan 0.000 0.480 377 S N 1.260 116.805 115.700 -0.258 0.000 2.569 377 S HA 0.262 4.714 4.470 -0.029 0.000 0.280 377 S C -0.869 173.675 174.600 -0.094 0.000 1.111 377 S CA -0.953 57.155 58.200 -0.153 0.000 0.887 377 S CB 1.481 64.591 63.200 -0.149 0.000 1.095 377 S HN 0.373 nan 8.310 nan 0.000 0.476 378 W N 3.457 124.642 121.300 -0.192 0.000 2.223 378 W HA 0.208 4.852 4.660 -0.026 0.000 0.334 378 W C -0.997 175.439 176.519 -0.138 0.000 1.334 378 W CA 0.803 58.057 57.345 -0.152 0.000 1.246 378 W CB 0.436 29.804 29.460 -0.154 0.000 1.184 378 W HN 0.591 nan 8.180 nan 0.000 0.563 379 D N 4.421 124.234 120.400 -0.978 0.000 2.479 379 D HA 0.119 4.742 4.640 -0.029 0.000 0.246 379 D C 0.709 176.429 176.300 -0.966 0.000 1.336 379 D CA -0.294 53.274 54.000 -0.720 0.000 0.967 379 D CB 1.470 42.029 40.800 -0.402 0.000 1.275 379 D HN 0.296 nan 8.370 nan 0.000 0.577 380 T N 2.872 117.028 114.554 -0.663 0.000 2.746 380 T HA -0.111 4.222 4.350 -0.029 0.000 0.267 380 T C 1.685 176.348 174.700 -0.063 0.000 1.039 380 T CA 0.831 62.765 62.100 -0.277 0.000 1.142 380 T CB -0.126 68.778 68.868 0.060 0.000 0.866 380 T HN 0.373 nan 8.240 nan 0.000 0.444 381 F N 1.831 121.637 119.950 -0.239 0.000 2.095 381 F HA 0.025 4.536 4.527 -0.027 0.000 0.298 381 F C 2.736 178.429 175.800 -0.177 0.000 1.104 381 F CA 0.318 58.211 58.000 -0.180 0.000 1.232 381 F CB -1.509 37.401 39.000 -0.150 0.000 0.987 381 F HN 0.167 nan 8.300 nan 0.000 0.475 382 A N -0.078 122.730 122.820 -0.020 0.000 1.902 382 A HA -0.021 4.281 4.320 -0.029 0.000 0.217 382 A C 2.486 180.005 177.584 -0.107 0.000 1.181 382 A CA 1.902 53.899 52.037 -0.066 0.000 0.623 382 A CB -1.240 17.691 19.000 -0.115 0.000 0.818 382 A HN 0.288 nan 8.150 nan 0.000 0.443 383 A N -0.484 122.178 122.820 -0.263 0.000 1.877 383 A HA -0.095 4.207 4.320 -0.029 0.000 0.216 383 A C 2.447 180.011 177.584 -0.033 0.000 1.186 383 A CA 2.147 54.060 52.037 -0.206 0.000 0.620 383 A CB -0.952 17.793 19.000 -0.424 0.000 0.822 383 A HN 0.454 nan 8.150 nan 0.000 0.443 384 S N -0.132 115.559 115.700 -0.015 0.000 2.382 384 S HA -0.100 4.353 4.470 -0.029 0.000 0.228 384 S C 1.810 176.434 174.600 0.039 0.000 1.027 384 S CA 1.440 59.654 58.200 0.023 0.000 0.991 384 S CB -0.459 62.743 63.200 0.003 0.000 0.823 384 S HN 0.502 nan 8.310 nan 0.000 0.469 385 L N 0.947 122.185 121.223 0.025 0.000 2.046 385 L HA -0.126 4.196 4.340 -0.029 0.000 0.208 385 L C 2.798 179.791 176.870 0.204 0.000 1.077 385 L CA 1.243 56.137 54.840 0.091 0.000 0.747 385 L CB -0.686 41.383 42.059 0.017 0.000 0.896 385 L HN 0.328 nan 8.230 nan 0.000 0.432 386 A N -0.002 122.892 122.820 0.123 0.000 1.898 386 A HA -0.134 4.168 4.320 -0.029 0.000 0.216 386 A C 2.534 180.171 177.584 0.089 0.000 1.181 386 A CA 1.565 53.670 52.037 0.114 0.000 0.620 386 A CB -0.704 18.351 19.000 0.092 0.000 0.819 386 A HN 0.388 nan 8.150 nan 0.000 0.442 387 A N -0.205 122.665 122.820 0.083 0.000 1.940 387 A HA 0.141 4.443 4.320 -0.029 0.000 0.219 387 A C 2.274 179.901 177.584 0.073 0.000 1.176 387 A CA 1.963 54.044 52.037 0.074 0.000 0.631 387 A CB -0.770 18.276 19.000 0.077 0.000 0.814 387 A HN 1.125 nan 8.150 nan 0.000 0.446 388 A N -1.850 121.043 122.820 0.122 0.000 2.238 388 A HA 0.424 4.727 4.320 -0.029 0.000 0.208 388 A C 1.594 179.186 177.584 0.014 0.000 1.177 388 A CA 1.114 53.243 52.037 0.154 0.000 0.804 388 A CB -0.898 18.284 19.000 0.304 0.000 0.823 388 A HN 1.952 nan 8.150 nan 0.000 0.482 389 G N -1.646 107.119 108.800 -0.057 0.000 2.165 389 G HA2 -0.198 3.745 3.960 -0.029 0.000 0.226 389 G HA3 -0.198 3.745 3.960 -0.029 0.000 0.226 389 G C -0.313 174.259 174.900 -0.546 0.000 1.035 389 G CA -0.047 44.885 45.100 -0.281 0.000 0.744 389 G HN 0.342 nan 8.290 nan 0.000 0.501 390 F N 1.279 121.168 119.950 -0.102 0.000 2.493 390 F HA 0.529 5.062 4.527 0.011 0.000 0.329 390 F C 0.871 176.635 175.800 -0.059 0.000 1.126 390 F CA -1.203 56.740 58.000 -0.095 0.000 0.937 390 F CB 1.185 40.175 39.000 -0.017 0.000 1.146 390 F HN 0.094 nan 8.300 nan 0.000 0.442 391 H N 1.940 121.149 119.070 0.232 0.000 2.852 391 H HA 0.365 4.906 4.556 -0.024 0.000 0.362 391 H C -0.373 175.091 175.328 0.227 0.000 1.122 391 H CA -0.014 56.150 56.048 0.194 0.000 1.419 391 H CB 1.020 30.879 29.762 0.162 0.000 1.401 391 H HN 0.274 nan 8.280 nan 0.000 0.609 392 V N 2.904 123.010 119.914 0.321 0.000 2.588 392 V HA 0.234 4.337 4.120 -0.029 0.000 0.304 392 V C -0.085 176.155 176.094 0.244 0.000 1.042 392 V CA -0.794 61.651 62.300 0.241 0.000 0.877 392 V CB 2.092 34.012 31.823 0.162 0.000 0.996 392 V HN 0.433 nan 8.190 nan 0.000 0.425 393 V N 5.967 126.031 119.914 0.249 0.000 2.409 393 V HA 0.535 4.638 4.120 -0.029 0.000 0.291 393 V C -0.183 176.032 176.094 0.203 0.000 1.020 393 V CA -0.346 62.104 62.300 0.249 0.000 0.848 393 V CB 1.710 33.739 31.823 0.344 0.000 0.990 393 V HN 0.899 nan 8.190 nan 0.000 0.430 394 M N 7.724 127.426 119.600 0.171 0.000 1.998 394 M HA 0.341 4.804 4.480 -0.029 0.000 0.289 394 M C -2.918 173.492 176.300 0.183 0.000 0.886 394 M CA -1.387 54.027 55.300 0.190 0.000 0.853 394 M CB 2.121 34.828 32.600 0.179 0.000 1.462 394 M HN 0.328 nan 8.290 nan 0.000 0.375 395 P HA 0.160 nan 4.420 nan 0.000 0.286 395 P C -0.960 176.494 177.300 0.257 0.000 1.269 395 P CA -0.313 62.889 63.100 0.169 0.000 0.787 395 P CB 0.701 32.528 31.700 0.212 0.000 0.920 396 N N 3.515 122.305 118.700 0.150 0.000 2.895 396 N HA 0.043 4.765 4.740 -0.029 0.000 0.277 396 N C 0.192 175.930 175.510 0.380 0.000 1.185 396 N CA -0.051 53.121 53.050 0.204 0.000 1.106 396 N CB -0.576 37.949 38.487 0.062 0.000 1.422 396 N HN 0.462 nan 8.380 nan 0.000 0.521 397 Y N 0.102 120.633 120.300 0.384 0.000 2.550 397 Y HA 0.057 4.589 4.550 -0.030 0.000 0.343 397 Y C 1.165 177.103 175.900 0.063 0.000 1.245 397 Y CA -1.343 56.929 58.100 0.286 0.000 1.462 397 Y CB 0.317 38.853 38.460 0.127 0.000 1.340 397 Y HN 0.277 nan 8.280 nan 0.000 0.604 398 R N 1.317 121.621 120.500 -0.326 0.000 2.638 398 R HA 0.321 4.644 4.340 -0.029 0.000 0.268 398 R C 0.820 176.937 176.300 -0.305 0.000 1.006 398 R CA 0.671 56.036 56.100 -1.224 0.000 1.088 398 R CB -0.430 29.119 30.300 -1.251 0.000 0.950 398 R HN 1.396 nan 8.270 nan 0.000 0.419 399 G N 1.627 110.262 108.800 -0.275 0.000 2.307 399 G HA2 -0.264 3.678 3.960 -0.029 0.000 0.210 399 G HA3 -0.264 3.678 3.960 -0.029 0.000 0.210 399 G C -0.143 174.883 174.900 0.209 0.000 1.005 399 G CA 0.052 45.218 45.100 0.111 0.000 0.634 399 G HN 0.678 nan 8.290 nan 0.000 0.496 400 S N 1.936 117.674 115.700 0.062 0.000 2.572 400 S HA 0.509 4.962 4.470 -0.029 0.000 0.279 400 S C 0.991 175.767 174.600 0.295 0.000 1.341 400 S CA 0.481 58.797 58.200 0.193 0.000 1.043 400 S CB 1.156 64.514 63.200 0.263 0.000 0.887 400 S HN 1.199 nan 8.310 nan 0.000 0.516 401 T N -0.645 114.039 114.554 0.217 0.000 2.766 401 T HA 0.552 4.885 4.350 -0.029 0.000 0.295 401 T C 1.342 176.166 174.700 0.206 0.000 1.024 401 T CA -0.059 62.144 62.100 0.171 0.000 1.018 401 T CB 0.522 69.445 68.868 0.093 0.000 1.002 401 T HN 1.264 nan 8.240 nan 0.000 0.532 402 G N -0.079 108.753 108.800 0.054 0.000 2.213 402 G HA2 -0.230 3.713 3.960 -0.029 0.000 0.236 402 G HA3 -0.230 3.713 3.960 -0.029 0.000 0.236 402 G C 0.195 174.726 174.900 -0.614 0.000 0.991 402 G CA 0.263 45.223 45.100 -0.233 0.000 0.629 402 G HN 0.807 nan 8.290 nan 0.000 0.517 403 Y N 0.963 121.343 120.300 0.133 0.000 2.715 403 Y HA 0.507 5.040 4.550 -0.029 0.000 0.255 403 Y C 1.277 177.253 175.900 0.128 0.000 1.139 403 Y CA 0.183 58.343 58.100 0.100 0.000 1.151 403 Y CB 0.945 39.406 38.460 0.001 0.000 1.201 403 Y HN 1.230 nan 8.280 nan 0.000 0.556 404 G N 0.536 109.434 108.800 0.164 0.000 2.662 404 G HA2 -0.243 3.700 3.960 -0.029 0.000 0.686 404 G HA3 -0.243 3.700 3.960 -0.029 0.000 0.686 404 G C 0.191 175.178 174.900 0.147 0.000 1.271 404 G CA -0.175 44.998 45.100 0.122 0.000 0.816 404 G HN 0.202 nan 8.290 nan 0.000 0.608 405 E N -0.273 119.969 120.200 0.070 0.000 2.110 405 E HA -0.095 4.237 4.350 -0.029 0.000 0.193 405 E C 2.179 178.829 176.600 0.082 0.000 0.988 405 E CA 2.184 58.604 56.400 0.034 0.000 0.804 405 E CB -0.085 29.603 29.700 -0.021 0.000 0.745 405 E HN 0.657 nan 8.360 nan 0.000 0.458 406 E N -0.475 119.801 120.200 0.127 0.000 2.072 406 E HA -0.196 4.136 4.350 -0.029 0.000 0.191 406 E C 1.889 178.626 176.600 0.229 0.000 0.985 406 E CA 1.059 57.548 56.400 0.149 0.000 0.801 406 E CB -0.472 29.317 29.700 0.149 0.000 0.750 406 E HN 0.551 nan 8.360 nan 0.000 0.452 407 W N 1.760 123.116 121.300 0.093 0.000 2.358 407 W HA -0.171 4.471 4.660 -0.031 0.000 0.303 407 W C 2.320 178.927 176.519 0.147 0.000 1.208 407 W CA 1.380 58.802 57.345 0.128 0.000 1.274 407 W CB -0.080 29.478 29.460 0.163 0.000 1.138 407 W HN 0.084 nan 8.180 nan 0.000 0.515 408 R N 0.440 121.030 120.500 0.151 0.000 2.073 408 R HA -0.121 4.202 4.340 -0.029 0.000 0.229 408 R C 2.320 178.660 176.300 0.065 0.000 1.120 408 R CA 1.344 57.485 56.100 0.069 0.000 0.967 408 R CB -0.674 29.642 30.300 0.026 0.000 0.862 408 R HN 0.218 nan 8.270 nan 0.000 0.436 409 L N 0.534 121.782 121.223 0.042 0.000 2.552 409 L HA -0.006 4.316 4.340 -0.029 0.000 0.227 409 L C 2.044 178.947 176.870 0.055 0.000 1.146 409 L CA 0.622 55.499 54.840 0.063 0.000 0.858 409 L CB -0.175 41.906 42.059 0.037 0.000 0.969 409 L HN 0.169 nan 8.230 nan 0.000 0.451 410 K N 0.563 120.966 120.400 0.005 0.000 2.152 410 K HA -0.178 4.125 4.320 -0.029 0.000 0.206 410 K C 2.033 178.631 176.600 -0.004 0.000 1.048 410 K CA 1.224 57.501 56.287 -0.017 0.000 0.933 410 K CB -0.038 32.401 32.500 -0.102 0.000 0.721 410 K HN 0.280 nan 8.250 nan 0.000 0.447 411 I N 1.225 121.797 120.570 0.004 0.000 2.614 411 I HA -0.135 4.018 4.170 -0.029 0.000 0.258 411 I C 0.160 176.291 176.117 0.023 0.000 1.189 411 I CA 0.284 61.602 61.300 0.030 0.000 1.462 411 I CB 0.251 38.283 38.000 0.053 0.000 1.092 411 I HN 0.014 nan 8.210 nan 0.000 0.442 412 I N 2.280 122.880 120.570 0.049 0.000 2.741 412 I HA -0.026 4.126 4.170 -0.029 0.000 0.288 412 I C 1.544 177.652 176.117 -0.015 0.000 1.192 412 I CA 1.279 62.592 61.300 0.021 0.000 1.426 412 I CB -0.594 37.449 38.000 0.072 0.000 1.367 412 I HN 0.500 nan 8.210 nan 0.000 0.563 413 G N 5.434 114.193 108.800 -0.068 0.000 2.162 413 G HA2 -0.267 3.675 3.960 -0.029 0.000 0.260 413 G HA3 -0.267 3.675 3.960 -0.029 0.000 0.260 413 G C 0.267 175.134 174.900 -0.056 0.000 0.976 413 G CA 0.449 45.506 45.100 -0.072 0.000 0.655 413 G HN 0.655 nan 8.290 nan 0.000 0.533 414 D N 0.105 120.481 120.400 -0.040 0.000 3.078 414 D HA 0.301 4.923 4.640 -0.029 0.000 0.363 414 D C -2.156 174.170 176.300 0.044 0.000 1.391 414 D CA -0.935 53.065 54.000 0.000 0.000 0.754 414 D CB 1.060 41.873 40.800 0.022 0.000 1.238 414 D HN 0.282 nan 8.370 nan 0.000 0.500 415 P HA 0.078 nan 4.420 nan 0.000 0.271 415 P C 0.314 177.768 177.300 0.255 0.000 1.218 415 P CA -0.072 63.187 63.100 0.265 0.000 0.780 415 P CB 1.259 33.085 31.700 0.211 0.000 0.901 416 C N 2.315 121.754 119.300 0.233 0.000 4.056 416 C HA -0.078 4.365 4.460 -0.029 0.000 0.302 416 C C 1.141 176.110 174.990 -0.035 0.000 1.356 416 C CA 0.963 59.968 59.018 -0.020 0.000 2.074 416 C CB -2.268 25.421 27.740 -0.085 0.000 1.328 416 C HN 0.883 nan 8.230 nan 0.000 0.684 417 G N 0.293 109.076 108.800 -0.029 0.000 3.341 417 G HA2 0.523 4.466 3.960 -0.029 0.000 0.186 417 G HA3 0.523 4.466 3.960 -0.029 0.000 0.186 417 G C 1.101 175.925 174.900 -0.127 0.000 1.430 417 G CA 0.679 45.737 45.100 -0.071 0.000 0.961 417 G HN 1.143 nan 8.290 nan 0.000 0.767 418 G N 0.826 109.589 108.800 -0.061 0.000 2.422 418 G HA2 -0.113 3.829 3.960 -0.029 0.000 0.218 418 G HA3 -0.113 3.829 3.960 -0.029 0.000 0.218 418 G C 1.512 176.440 174.900 0.047 0.000 1.146 418 G CA 1.832 46.928 45.100 -0.006 0.000 0.769 418 G HN 0.591 nan 8.290 nan 0.000 0.547 419 E N 0.736 120.960 120.200 0.039 0.000 2.106 419 E HA -0.112 4.220 4.350 -0.029 0.000 0.192 419 E C 2.380 178.972 176.600 -0.013 0.000 0.984 419 E CA 0.957 57.396 56.400 0.066 0.000 0.806 419 E CB -0.598 29.149 29.700 0.078 0.000 0.750 419 E HN 0.384 nan 8.360 nan 0.000 0.458 420 L N 1.509 122.687 121.223 -0.076 0.000 2.156 420 L HA -0.063 4.260 4.340 -0.029 0.000 0.208 420 L C 2.172 179.014 176.870 -0.046 0.000 1.095 420 L CA 1.603 56.385 54.840 -0.096 0.000 0.770 420 L CB -0.308 41.666 42.059 -0.142 0.000 0.914 420 L HN -0.092 nan 8.230 nan 0.000 0.439 421 E N 0.173 120.312 120.200 -0.102 0.000 2.110 421 E HA -0.208 4.124 4.350 -0.029 0.000 0.193 421 E C 1.826 178.504 176.600 0.130 0.000 0.988 421 E CA 1.405 57.746 56.400 -0.098 0.000 0.804 421 E CB -0.370 29.011 29.700 -0.533 0.000 0.745 421 E HN 0.604 nan 8.360 nan 0.000 0.458 422 D N 0.457 120.984 120.400 0.212 0.000 2.117 422 D HA -0.108 4.515 4.640 -0.029 0.000 0.197 422 D C 2.172 178.621 176.300 0.249 0.000 0.987 422 D CA 0.689 54.871 54.000 0.303 0.000 0.829 422 D CB -0.277 40.766 40.800 0.405 0.000 0.961 422 D HN 0.020 nan 8.370 nan 0.000 0.460 423 V N 1.165 121.197 119.914 0.197 0.000 2.332 423 V HA -0.225 3.877 4.120 -0.029 0.000 0.248 423 V C 2.487 178.723 176.094 0.237 0.000 1.055 423 V CA 1.760 64.182 62.300 0.204 0.000 1.038 423 V CB -0.459 31.434 31.823 0.116 0.000 0.651 423 V HN 0.146 nan 8.190 nan 0.000 0.450 424 S N 0.186 115.987 115.700 0.169 0.000 2.387 424 S HA -0.088 4.365 4.470 -0.029 0.000 0.226 424 S C 2.219 176.890 174.600 0.119 0.000 1.026 424 S CA 1.190 59.457 58.200 0.111 0.000 0.972 424 S CB -0.442 62.781 63.200 0.038 0.000 0.814 424 S HN 0.645 nan 8.310 nan 0.000 0.477 425 A N 1.711 124.631 122.820 0.167 0.000 1.933 425 A HA 0.088 4.390 4.320 -0.029 0.000 0.218 425 A C 2.336 180.063 177.584 0.238 0.000 1.175 425 A CA 1.678 53.833 52.037 0.196 0.000 0.628 425 A CB -1.002 18.135 19.000 0.230 0.000 0.814 425 A HN 0.514 nan 8.150 nan 0.000 0.444 426 A N -0.196 122.772 122.820 0.247 0.000 1.930 426 A HA 0.210 4.512 4.320 -0.029 0.000 0.217 426 A C 2.495 180.301 177.584 0.371 0.000 1.175 426 A CA 1.894 54.111 52.037 0.300 0.000 0.627 426 A CB -0.971 18.178 19.000 0.248 0.000 0.815 426 A HN 1.021 nan 8.150 nan 0.000 0.443 427 A N 0.101 123.086 122.820 0.275 0.000 1.883 427 A HA -0.209 4.093 4.320 -0.029 0.000 0.217 427 A C 2.245 179.884 177.584 0.092 0.000 1.186 427 A CA 1.988 54.125 52.037 0.167 0.000 0.624 427 A CB -0.532 18.399 19.000 -0.114 0.000 0.822 427 A HN 0.583 nan 8.150 nan 0.000 0.444 428 R N -1.764 118.788 120.500 0.087 0.000 2.081 428 R HA -0.216 4.107 4.340 -0.029 0.000 0.235 428 R C 2.008 178.369 176.300 0.102 0.000 1.131 428 R CA 1.953 58.090 56.100 0.061 0.000 0.960 428 R CB -0.539 29.807 30.300 0.076 0.000 0.856 428 R HN 0.705 nan 8.270 nan 0.000 0.436 429 W N 0.964 122.287 121.300 0.038 0.000 2.338 429 W HA -0.163 4.485 4.660 -0.020 0.000 0.304 429 W C 1.971 178.512 176.519 0.036 0.000 1.212 429 W CA 2.123 59.493 57.345 0.041 0.000 1.264 429 W CB -0.461 29.030 29.460 0.053 0.000 1.142 429 W HN 0.227 nan 8.180 nan 0.000 0.512 430 A N 0.545 123.330 122.820 -0.058 0.000 1.933 430 A HA -0.181 4.122 4.320 -0.029 0.000 0.218 430 A C 2.131 179.506 177.584 -0.348 0.000 1.175 430 A CA 1.882 53.727 52.037 -0.321 0.000 0.628 430 A CB -0.837 18.240 19.000 0.127 0.000 0.814 430 A HN 0.460 nan 8.150 nan 0.000 0.444 431 R N -0.483 119.898 120.500 -0.198 0.000 2.066 431 R HA -0.037 4.285 4.340 -0.029 0.000 0.224 431 R C 1.922 178.103 176.300 -0.199 0.000 1.122 431 R CA 1.306 57.309 56.100 -0.160 0.000 0.974 431 R CB -0.157 30.082 30.300 -0.100 0.000 0.871 431 R HN 0.638 nan 8.270 nan 0.000 0.435 432 E N -0.011 120.062 120.200 -0.211 0.000 2.216 432 E HA -0.094 4.239 4.350 -0.029 0.000 0.192 432 E C 1.683 178.137 176.600 -0.244 0.000 0.988 432 E CA 1.217 57.514 56.400 -0.172 0.000 0.834 432 E CB 0.188 29.832 29.700 -0.093 0.000 0.772 432 E HN 0.368 nan 8.360 nan 0.000 0.479 433 S N -0.560 114.855 115.700 -0.475 0.000 2.522 433 S HA 0.076 4.529 4.470 -0.029 0.000 0.227 433 S C 1.676 176.075 174.600 -0.335 0.000 0.986 433 S CA 0.530 58.437 58.200 -0.489 0.000 0.929 433 S CB 0.284 62.884 63.200 -0.999 0.000 0.769 433 S HN 0.355 nan 8.310 nan 0.000 0.529 434 G N 0.582 109.205 108.800 -0.296 0.000 2.157 434 G HA2 -0.245 3.698 3.960 -0.029 0.000 0.239 434 G HA3 -0.245 3.698 3.960 -0.029 0.000 0.239 434 G C 0.432 175.222 174.900 -0.182 0.000 0.982 434 G CA 0.325 45.313 45.100 -0.186 0.000 0.650 434 G HN 0.589 nan 8.290 nan 0.000 0.527 435 L N 0.856 121.912 121.223 -0.278 0.000 2.072 435 L HA 0.692 5.015 4.340 -0.029 0.000 0.205 435 L C 1.747 178.591 176.870 -0.044 0.000 1.079 435 L CA 2.486 57.197 54.840 -0.215 0.000 0.752 435 L CB -0.254 41.629 42.059 -0.292 0.000 0.906 435 L HN 0.899 nan 8.230 nan 0.000 0.436 436 A N -1.423 121.367 122.820 -0.049 0.000 2.271 436 A HA 0.502 4.805 4.320 -0.029 0.000 0.317 436 A C 1.024 178.615 177.584 0.011 0.000 1.245 436 A CA 0.138 52.204 52.037 0.047 0.000 0.857 436 A CB 0.595 19.624 19.000 0.049 0.000 1.175 436 A HN 0.413 nan 8.150 nan 0.000 0.512 437 S N 1.355 117.078 115.700 0.039 0.000 2.501 437 S HA 0.144 4.596 4.470 -0.029 0.000 0.220 437 S C 0.383 174.974 174.600 -0.015 0.000 0.997 437 S CA 0.627 58.831 58.200 0.006 0.000 0.919 437 S CB -0.339 62.869 63.200 0.014 0.000 0.778 437 S HN 0.915 nan 8.310 nan 0.000 0.523 438 E N -0.313 119.881 120.200 -0.010 0.000 2.388 438 E HA 0.625 4.957 4.350 -0.029 0.000 0.280 438 E C -1.848 174.680 176.600 -0.121 0.000 1.019 438 E CA -1.079 55.264 56.400 -0.095 0.000 0.806 438 E CB 0.826 30.451 29.700 -0.125 0.000 1.246 438 E HN 0.164 nan 8.360 nan 0.000 0.443 439 L N 1.920 123.002 121.223 -0.235 0.000 2.386 439 L HA 0.604 4.926 4.340 -0.029 0.000 0.271 439 L C -1.371 175.421 176.870 -0.129 0.000 0.993 439 L CA -0.787 54.027 54.840 -0.043 0.000 0.819 439 L CB 1.450 43.558 42.059 0.082 0.000 1.294 439 L HN 0.603 nan 8.230 nan 0.000 0.414 440 Y N 2.517 123.028 120.300 0.351 0.000 2.570 440 Y HA 0.619 5.136 4.550 -0.056 0.000 0.345 440 Y C -0.420 175.372 175.900 -0.180 0.000 1.014 440 Y CA -0.737 57.452 58.100 0.148 0.000 1.063 440 Y CB 2.563 41.034 38.460 0.020 0.000 1.272 440 Y HN 0.361 nan 8.280 nan 0.000 0.477 441 I N 3.358 123.692 120.570 -0.393 0.000 2.530 441 I HA 0.625 4.777 4.170 -0.029 0.000 0.297 441 I C -1.308 174.659 176.117 -0.249 0.000 1.011 441 I CA -0.853 60.065 61.300 -0.638 0.000 1.107 441 I CB 1.443 38.663 38.000 -1.299 0.000 1.285 441 I HN 0.814 nan 8.210 nan 0.000 0.436 442 M N 6.587 126.086 119.600 -0.168 0.000 2.421 442 M HA 0.747 5.210 4.480 -0.029 0.000 0.287 442 M C -1.423 174.860 176.300 -0.029 0.000 1.183 442 M CA -0.268 54.973 55.300 -0.098 0.000 0.916 442 M CB 2.276 34.809 32.600 -0.112 0.000 1.701 442 M HN 0.706 nan 8.290 nan 0.000 0.470 443 G N 1.976 110.784 108.800 0.014 0.000 2.579 443 G HA2 0.460 4.403 3.960 -0.029 0.000 0.292 443 G HA3 0.460 4.403 3.960 -0.029 0.000 0.292 443 G C -2.985 172.028 174.900 0.189 0.000 1.484 443 G CA -0.512 44.663 45.100 0.124 0.000 0.813 443 G HN 0.719 nan 8.290 nan 0.000 0.515 444 Y N 1.237 121.618 120.300 0.134 0.000 2.393 444 Y HA 0.614 5.146 4.550 -0.030 0.000 0.341 444 Y C 0.981 176.954 175.900 0.122 0.000 0.988 444 Y CA 0.985 59.151 58.100 0.110 0.000 1.078 444 Y CB 2.123 40.704 38.460 0.202 0.000 1.203 444 Y HN 1.425 nan 8.280 nan 0.000 0.453 445 S N 2.967 118.508 115.700 -0.265 0.000 4.118 445 S HA -0.416 4.037 4.470 -0.029 0.000 0.624 445 S C 0.953 175.629 174.600 0.127 0.000 1.929 445 S CA 1.569 59.760 58.200 -0.015 0.000 4.219 445 S CB -1.678 61.700 63.200 0.298 0.000 0.206 445 S HN 0.945 nan 8.310 nan 0.000 0.525 446 Y N 2.403 122.795 120.300 0.153 0.000 2.315 446 Y HA 0.014 4.546 4.550 -0.030 0.000 0.288 446 Y C 2.292 178.290 175.900 0.164 0.000 1.154 446 Y CA 2.448 60.656 58.100 0.180 0.000 1.229 446 Y CB -0.931 37.666 38.460 0.228 0.000 0.980 446 Y HN 0.535 nan 8.280 nan 0.000 0.540 447 G N -0.880 108.092 108.800 0.285 0.000 2.418 447 G HA2 -0.257 3.685 3.960 -0.029 0.000 0.217 447 G HA3 -0.257 3.685 3.960 -0.029 0.000 0.217 447 G C 1.897 176.815 174.900 0.031 0.000 1.158 447 G CA 0.788 45.987 45.100 0.164 0.000 0.771 447 G HN 0.548 nan 8.290 nan 0.000 0.545 448 G N -0.409 108.401 108.800 0.016 0.000 2.403 448 G HA2 -0.191 3.751 3.960 -0.029 0.000 0.216 448 G HA3 -0.191 3.751 3.960 -0.029 0.000 0.216 448 G C 1.603 176.445 174.900 -0.096 0.000 1.154 448 G CA 0.981 46.048 45.100 -0.055 0.000 0.784 448 G HN 0.388 nan 8.290 nan 0.000 0.538 449 Y N 1.106 121.240 120.300 -0.276 0.000 2.114 449 Y HA -0.180 4.353 4.550 -0.028 0.000 0.282 449 Y C 2.717 178.403 175.900 -0.357 0.000 1.165 449 Y CA 1.719 59.578 58.100 -0.402 0.000 1.148 449 Y CB -0.106 37.953 38.460 -0.667 0.000 0.972 449 Y HN 0.088 nan 8.280 nan 0.000 0.504 450 M N -0.740 118.622 119.600 -0.397 0.000 2.175 450 M HA -0.182 4.281 4.480 -0.029 0.000 0.264 450 M C 2.033 178.158 176.300 -0.292 0.000 1.063 450 M CA 1.851 56.907 55.300 -0.407 0.000 1.119 450 M CB -1.391 31.036 32.600 -0.288 0.000 1.377 450 M HN 0.259 nan 8.290 nan 0.000 0.415 451 T N 1.553 115.973 114.554 -0.223 0.000 2.684 451 T HA -0.110 4.222 4.350 -0.029 0.000 0.267 451 T C 2.017 176.609 174.700 -0.179 0.000 1.036 451 T CA 1.129 63.111 62.100 -0.196 0.000 1.148 451 T CB -0.276 68.500 68.868 -0.153 0.000 0.863 451 T HN 0.311 nan 8.240 nan 0.000 0.436 452 L N 0.314 121.413 121.223 -0.207 0.000 2.046 452 L HA -0.117 4.206 4.340 -0.029 0.000 0.208 452 L C 2.891 179.622 176.870 -0.232 0.000 1.077 452 L CA 1.001 55.725 54.840 -0.193 0.000 0.747 452 L CB -0.665 41.278 42.059 -0.193 0.000 0.896 452 L HN 0.404 nan 8.230 nan 0.000 0.432 453 C N -0.376 118.700 119.300 -0.373 0.000 2.440 453 C HA -0.096 4.346 4.460 -0.029 0.000 0.278 453 C C 3.099 177.967 174.990 -0.204 0.000 1.295 453 C CA 0.681 59.468 59.018 -0.385 0.000 1.738 453 C CB -0.942 26.430 27.740 -0.614 0.000 1.987 453 C HN 0.606 nan 8.230 nan 0.000 0.492 454 A N -0.039 122.700 122.820 -0.135 0.000 1.897 454 A HA -0.027 4.276 4.320 -0.029 0.000 0.215 454 A C 1.879 179.500 177.584 0.062 0.000 1.181 454 A CA 1.361 53.412 52.037 0.023 0.000 0.620 454 A CB -0.425 18.658 19.000 0.139 0.000 0.821 454 A HN 0.449 nan 8.150 nan 0.000 0.443 455 L N 0.232 121.467 121.223 0.021 0.000 2.240 455 L HA -0.062 4.260 4.340 -0.029 0.000 0.211 455 L C 2.801 179.684 176.870 0.022 0.000 1.106 455 L CA 2.209 57.078 54.840 0.049 0.000 0.793 455 L CB -0.722 41.359 42.059 0.036 0.000 0.927 455 L HN 0.649 nan 8.230 nan 0.000 0.446 456 T N -4.913 109.631 114.554 -0.017 0.000 2.894 456 T HA -0.044 4.288 4.350 -0.029 0.000 0.258 456 T C 1.655 176.370 174.700 0.024 0.000 1.043 456 T CA 0.626 62.728 62.100 0.005 0.000 1.141 456 T CB -0.049 68.812 68.868 -0.012 0.000 0.873 456 T HN 0.001 nan 8.240 nan 0.000 0.449 457 M N 0.674 120.264 119.600 -0.017 0.000 2.516 457 M HA 0.342 4.805 4.480 -0.029 0.000 0.259 457 M C 0.551 176.848 176.300 -0.005 0.000 1.146 457 M CA 0.654 55.949 55.300 -0.007 0.000 1.122 457 M CB -0.244 32.317 32.600 -0.064 0.000 1.341 457 M HN 0.166 nan 8.290 nan 0.000 0.478 458 K N 1.469 121.872 120.400 0.004 0.000 3.163 458 K HA 0.348 4.650 4.320 -0.029 0.000 0.186 458 K C -2.619 173.994 176.600 0.022 0.000 1.111 458 K CA -1.296 54.994 56.287 0.005 0.000 0.918 458 K CB 0.846 33.349 32.500 0.003 0.000 1.059 458 K HN 0.083 nan 8.250 nan 0.000 0.558 459 P HA -0.017 nan 4.420 nan 0.000 0.268 459 P C 0.855 178.161 177.300 0.009 0.000 1.204 459 P CA 1.028 64.147 63.100 0.032 0.000 0.768 459 P CB 0.910 32.626 31.700 0.027 0.000 0.842 460 G N 1.987 110.796 108.800 0.014 0.000 2.234 460 G HA2 -0.309 3.633 3.960 -0.029 0.000 0.235 460 G HA3 -0.309 3.633 3.960 -0.029 0.000 0.235 460 G C 0.609 175.465 174.900 -0.074 0.000 0.997 460 G CA 0.263 45.353 45.100 -0.017 0.000 0.623 460 G HN 0.543 nan 8.290 nan 0.000 0.514 461 L N 0.164 121.312 121.223 -0.124 0.000 2.056 461 L HA 0.506 4.829 4.340 -0.029 0.000 0.207 461 L C 1.047 177.611 176.870 -0.510 0.000 1.078 461 L CA 1.418 56.054 54.840 -0.341 0.000 0.749 461 L CB -0.346 41.443 42.059 -0.450 0.000 0.901 461 L HN 0.256 nan 8.230 nan 0.000 0.433 462 F N -0.977 118.964 119.950 -0.016 0.000 2.470 462 F HA 0.286 4.791 4.527 -0.037 0.000 0.329 462 F C 1.479 177.253 175.800 -0.043 0.000 1.072 462 F CA -0.539 57.441 58.000 -0.033 0.000 0.989 462 F CB 1.147 40.158 39.000 0.018 0.000 1.193 462 F HN -0.247 nan 8.300 nan 0.000 0.481 463 K N 1.281 121.730 120.400 0.081 0.000 2.228 463 K HA 0.429 4.731 4.320 -0.029 0.000 0.202 463 K C -0.163 176.545 176.600 0.179 0.000 1.051 463 K CA 0.900 57.198 56.287 0.020 0.000 0.960 463 K CB 0.253 32.629 32.500 -0.206 0.000 0.743 463 K HN 0.725 nan 8.250 nan 0.000 0.458 464 A N -0.659 122.346 122.820 0.308 0.000 2.586 464 A HA 0.589 4.891 4.320 -0.029 0.000 0.291 464 A C -1.136 176.676 177.584 0.380 0.000 1.062 464 A CA -0.463 51.812 52.037 0.398 0.000 0.666 464 A CB 1.254 20.498 19.000 0.407 0.000 1.281 464 A HN 0.186 nan 8.150 nan 0.000 0.421 465 G N -0.512 108.495 108.800 0.346 0.000 2.638 465 G HA2 0.636 4.579 3.960 -0.029 0.000 0.302 465 G HA3 0.636 4.579 3.960 -0.029 0.000 0.302 465 G C -1.516 173.432 174.900 0.080 0.000 1.365 465 G CA -0.480 44.697 45.100 0.129 0.000 0.987 465 G HN 1.228 nan 8.290 nan 0.000 0.495 466 V N 0.894 120.798 119.914 -0.018 0.000 2.417 466 V HA 0.737 4.840 4.120 -0.029 0.000 0.291 466 V C 0.252 176.281 176.094 -0.107 0.000 1.024 466 V CA -0.689 61.541 62.300 -0.117 0.000 0.861 466 V CB 1.404 33.166 31.823 -0.103 0.000 0.985 466 V HN 1.140 nan 8.190 nan 0.000 0.436 467 A N 3.805 126.559 122.820 -0.111 0.000 2.360 467 A HA 0.794 5.096 4.320 -0.029 0.000 0.309 467 A C 0.252 177.802 177.584 -0.057 0.000 1.311 467 A CA -0.184 51.806 52.037 -0.080 0.000 0.805 467 A CB 0.796 19.744 19.000 -0.087 0.000 1.144 467 A HN 0.993 nan 8.150 nan 0.000 0.486 468 G N 0.992 109.767 108.800 -0.042 0.000 2.367 468 G HA2 0.629 4.572 3.960 -0.029 0.000 0.314 468 G HA3 0.629 4.572 3.960 -0.029 0.000 0.314 468 G C 0.752 175.402 174.900 -0.417 0.000 1.130 468 G CA 0.116 45.177 45.100 -0.066 0.000 0.864 468 G HN 2.277 nan 8.290 nan 0.000 0.486 469 A N 0.982 123.418 122.820 -0.640 0.000 2.462 469 A HA -0.023 4.279 4.320 -0.029 0.000 0.294 469 A C 1.158 178.450 177.584 -0.487 0.000 1.461 469 A CA 0.989 52.403 52.037 -1.039 0.000 0.765 469 A CB -2.008 16.020 19.000 -1.619 0.000 1.071 469 A HN 2.207 nan 8.150 nan 0.000 0.401 470 S N -1.041 114.590 115.700 -0.115 0.000 2.616 470 S HA 0.665 5.117 4.470 -0.029 0.000 0.277 470 S C 0.121 174.684 174.600 -0.061 0.000 1.234 470 S CA -0.358 57.799 58.200 -0.072 0.000 1.028 470 S CB 1.865 65.031 63.200 -0.056 0.000 0.988 470 S HN 1.184 nan 8.310 nan 0.000 0.522 471 V N 3.273 123.079 119.914 -0.180 0.000 2.508 471 V HA 0.162 4.264 4.120 -0.029 0.000 0.281 471 V C 0.749 176.674 176.094 -0.282 0.000 1.041 471 V CA -0.127 61.930 62.300 -0.404 0.000 1.016 471 V CB 0.824 32.059 31.823 -0.980 0.000 0.984 471 V HN 0.927 nan 8.190 nan 0.000 0.478 472 V N 2.197 121.932 119.914 -0.299 0.000 3.090 472 V HA 0.297 4.399 4.120 -0.029 0.000 0.237 472 V C 0.180 176.143 176.094 -0.219 0.000 1.209 472 V CA 0.488 62.665 62.300 -0.204 0.000 1.209 472 V CB 0.584 32.305 31.823 -0.170 0.000 0.971 472 V HN 0.889 nan 8.190 nan 0.000 0.477 473 D N -1.693 118.552 120.400 -0.259 0.000 2.616 473 D HA 0.177 4.799 4.640 -0.029 0.000 0.238 473 D C 0.009 176.229 176.300 -0.133 0.000 1.354 473 D CA -0.560 53.347 54.000 -0.155 0.000 0.970 473 D CB 1.148 41.912 40.800 -0.060 0.000 1.369 473 D HN 0.128 nan 8.370 nan 0.000 0.585 474 W N 2.115 123.410 121.300 -0.009 0.000 2.338 474 W HA -0.151 4.491 4.660 -0.029 0.000 0.304 474 W C 2.156 178.707 176.519 0.053 0.000 1.212 474 W CA 0.797 58.140 57.345 -0.004 0.000 1.264 474 W CB 0.196 29.636 29.460 -0.035 0.000 1.142 474 W HN 0.485 nan 8.180 nan 0.000 0.512 475 E N 0.737 121.090 120.200 0.255 0.000 2.072 475 E HA -0.213 4.120 4.350 -0.029 0.000 0.190 475 E C 1.924 178.640 176.600 0.192 0.000 0.982 475 E CA 1.760 58.274 56.400 0.191 0.000 0.803 475 E CB -0.367 29.400 29.700 0.111 0.000 0.755 475 E HN 0.330 nan 8.360 nan 0.000 0.453 476 E N -0.279 119.991 120.200 0.116 0.000 2.072 476 E HA -0.199 4.134 4.350 -0.029 0.000 0.191 476 E C 2.140 178.790 176.600 0.083 0.000 0.985 476 E CA 1.214 57.661 56.400 0.079 0.000 0.801 476 E CB -0.202 29.511 29.700 0.022 0.000 0.750 476 E HN 0.383 nan 8.360 nan 0.000 0.452 477 M N -0.124 119.523 119.600 0.078 0.000 2.108 477 M HA -0.227 4.235 4.480 -0.029 0.000 0.261 477 M C 2.129 178.514 176.300 0.142 0.000 1.066 477 M CA 1.696 57.034 55.300 0.064 0.000 1.107 477 M CB -0.290 32.320 32.600 0.017 0.000 1.356 477 M HN 0.266 nan 8.290 nan 0.000 0.406 478 Y N 1.294 121.665 120.300 0.118 0.000 2.128 478 Y HA -0.269 4.263 4.550 -0.029 0.000 0.284 478 Y C 1.921 177.876 175.900 0.092 0.000 1.154 478 Y CA 2.424 60.607 58.100 0.138 0.000 1.149 478 Y CB -0.369 38.176 38.460 0.141 0.000 0.976 478 Y HN 0.373 nan 8.280 nan 0.000 0.505 479 E N -0.128 120.174 120.200 0.169 0.000 2.268 479 E HA -0.143 4.190 4.350 -0.029 0.000 0.195 479 E C 1.680 178.268 176.600 -0.021 0.000 0.995 479 E CA 1.074 57.512 56.400 0.064 0.000 0.836 479 E CB -0.146 29.630 29.700 0.128 0.000 0.763 479 E HN 0.526 nan 8.360 nan 0.000 0.491 480 L N 0.360 121.574 121.223 -0.015 0.000 2.607 480 L HA 0.121 4.444 4.340 -0.029 0.000 0.228 480 L C 0.582 177.421 176.870 -0.051 0.000 1.123 480 L CA -0.241 54.580 54.840 -0.031 0.000 0.890 480 L CB 0.537 42.582 42.059 -0.022 0.000 1.103 480 L HN -0.138 nan 8.230 nan 0.000 0.468 481 S N 0.041 115.696 115.700 -0.076 0.000 2.616 481 S HA 0.210 4.663 4.470 -0.029 0.000 0.277 481 S C -0.276 174.295 174.600 -0.048 0.000 1.234 481 S CA -0.876 57.301 58.200 -0.039 0.000 1.028 481 S CB 1.318 64.533 63.200 0.025 0.000 0.988 481 S HN 0.284 nan 8.310 nan 0.000 0.522 482 D N 1.005 121.424 120.400 0.032 0.000 2.414 482 D HA 0.358 4.980 4.640 -0.029 0.000 0.251 482 D C 1.186 177.474 176.300 -0.021 0.000 1.252 482 D CA -0.245 53.762 54.000 0.011 0.000 0.999 482 D CB 0.136 40.965 40.800 0.047 0.000 1.093 482 D HN 0.370 nan 8.370 nan 0.000 0.515 483 A N 0.114 122.896 122.820 -0.063 0.000 1.908 483 A HA 0.011 4.314 4.320 -0.029 0.000 0.218 483 A C 2.210 179.703 177.584 -0.151 0.000 1.181 483 A CA 2.666 54.646 52.037 -0.095 0.000 0.627 483 A CB -1.365 17.579 19.000 -0.093 0.000 0.818 483 A HN 0.714 nan 8.150 nan 0.000 0.445 484 A N -1.169 121.469 122.820 -0.305 0.000 1.858 484 A HA -0.014 4.288 4.320 -0.029 0.000 0.216 484 A C 1.994 179.258 177.584 -0.534 0.000 1.190 484 A CA 1.547 53.129 52.037 -0.759 0.000 0.617 484 A CB -0.767 17.347 19.000 -1.477 0.000 0.827 484 A HN 0.476 nan 8.150 nan 0.000 0.443 485 F N -0.286 119.590 119.950 -0.123 0.000 2.234 485 F HA -0.062 4.447 4.527 -0.029 0.000 0.299 485 F C 2.614 178.544 175.800 0.217 0.000 1.087 485 F CA 1.327 59.452 58.000 0.208 0.000 1.340 485 F CB -0.147 38.959 39.000 0.178 0.000 1.031 485 F HN 0.096 nan 8.300 nan 0.000 0.500 486 R N 0.145 120.750 120.500 0.175 0.000 2.080 486 R HA -0.216 4.106 4.340 -0.029 0.000 0.236 486 R C 2.183 178.678 176.300 0.325 0.000 1.137 486 R CA 1.599 57.742 56.100 0.071 0.000 0.943 486 R CB -0.885 29.252 30.300 -0.271 0.000 0.846 486 R HN 0.327 nan 8.270 nan 0.000 0.431 487 N N 0.413 119.241 118.700 0.215 0.000 2.104 487 N HA -0.203 4.520 4.740 -0.029 0.000 0.190 487 N C 1.745 177.466 175.510 0.352 0.000 1.024 487 N CA 1.215 54.413 53.050 0.247 0.000 0.853 487 N CB -0.090 38.502 38.487 0.174 0.000 1.008 487 N HN 0.062 nan 8.380 nan 0.000 0.424 488 F N 2.016 122.100 119.950 0.223 0.000 2.102 488 F HA -0.009 4.500 4.527 -0.030 0.000 0.298 488 F C 2.311 178.225 175.800 0.191 0.000 1.105 488 F CA 0.861 59.010 58.000 0.247 0.000 1.239 488 F CB -0.564 38.612 39.000 0.293 0.000 0.991 488 F HN -0.006 nan 8.300 nan 0.000 0.474 489 I N 0.036 120.770 120.570 0.275 0.000 2.163 489 I HA -0.330 3.822 4.170 -0.029 0.000 0.243 489 I C 2.289 178.370 176.117 -0.060 0.000 1.085 489 I CA 1.735 63.103 61.300 0.114 0.000 1.347 489 I CB -0.617 37.646 38.000 0.438 0.000 1.044 489 I HN 0.178 nan 8.210 nan 0.000 0.408 490 E N 0.434 120.684 120.200 0.084 0.000 2.070 490 E HA -0.294 4.039 4.350 -0.029 0.000 0.197 490 E C 2.270 178.839 176.600 -0.053 0.000 1.004 490 E CA 1.419 57.818 56.400 -0.002 0.000 0.805 490 E CB -0.119 29.640 29.700 0.099 0.000 0.744 490 E HN 0.553 nan 8.360 nan 0.000 0.451 491 Q N 0.237 120.031 119.800 -0.009 0.000 2.050 491 Q HA -0.142 4.181 4.340 -0.029 0.000 0.202 491 Q C 2.445 178.355 176.000 -0.149 0.000 0.980 491 Q CA 1.011 56.807 55.803 -0.012 0.000 0.840 491 Q CB -0.118 28.690 28.738 0.117 0.000 0.898 491 Q HN 0.330 nan 8.270 nan 0.000 0.424 492 L N 0.416 121.425 121.223 -0.356 0.000 2.046 492 L HA -0.157 4.166 4.340 -0.029 0.000 0.208 492 L C 2.551 179.172 176.870 -0.414 0.000 1.077 492 L CA 1.682 56.243 54.840 -0.465 0.000 0.747 492 L CB -0.609 41.017 42.059 -0.721 0.000 0.896 492 L HN 0.425 nan 8.230 nan 0.000 0.432 493 T N -4.297 109.976 114.554 -0.469 0.000 3.100 493 T HA 0.184 4.516 4.350 -0.029 0.000 0.253 493 T C 1.438 175.991 174.700 -0.246 0.000 1.118 493 T CA 0.492 62.323 62.100 -0.449 0.000 1.058 493 T CB 0.515 69.045 68.868 -0.562 0.000 0.953 493 T HN 0.484 nan 8.240 nan 0.000 0.515 494 G N 0.705 109.401 108.800 -0.172 0.000 2.179 494 G HA2 0.041 3.983 3.960 -0.029 0.000 0.260 494 G HA3 0.041 3.983 3.960 -0.029 0.000 0.260 494 G C 1.198 176.046 174.900 -0.087 0.000 0.977 494 G CA 0.506 45.547 45.100 -0.098 0.000 0.641 494 G HN 1.738 nan 8.290 nan 0.000 0.533 495 G N -1.330 107.398 108.800 -0.120 0.000 2.241 495 G HA2 -0.001 3.942 3.960 -0.029 0.000 0.244 495 G HA3 -0.001 3.942 3.960 -0.029 0.000 0.244 495 G C 0.774 175.599 174.900 -0.124 0.000 0.998 495 G CA 1.454 46.486 45.100 -0.113 0.000 0.621 495 G HN 2.286 nan 8.290 nan 0.000 0.519 496 S N 0.669 116.302 115.700 -0.112 0.000 2.531 496 S HA 0.503 4.955 4.470 -0.029 0.000 0.279 496 S C 1.819 176.361 174.600 -0.096 0.000 1.305 496 S CA 0.040 58.187 58.200 -0.087 0.000 1.058 496 S CB 0.831 63.991 63.200 -0.067 0.000 0.899 496 S HN 0.314 nan 8.310 nan 0.000 0.493 497 R N 2.612 123.068 120.500 -0.073 0.000 2.115 497 R HA 0.004 4.327 4.340 -0.029 0.000 0.226 497 R C 1.869 178.157 176.300 -0.019 0.000 1.100 497 R CA 0.693 56.761 56.100 -0.054 0.000 0.980 497 R CB -0.598 29.678 30.300 -0.040 0.000 0.875 497 R HN 0.689 nan 8.270 nan 0.000 0.445 498 E N 1.021 121.212 120.200 -0.016 0.000 2.049 498 E HA -0.153 4.180 4.350 -0.029 0.000 0.198 498 E C 1.991 178.598 176.600 0.010 0.000 1.007 498 E CA 0.986 57.388 56.400 0.003 0.000 0.809 498 E CB -0.132 29.568 29.700 0.000 0.000 0.749 498 E HN 0.101 nan 8.360 nan 0.000 0.450 499 I N 0.592 121.149 120.570 -0.023 0.000 2.179 499 I HA -0.261 3.892 4.170 -0.029 0.000 0.242 499 I C 2.541 178.643 176.117 -0.025 0.000 1.088 499 I CA 1.151 62.427 61.300 -0.040 0.000 1.357 499 I CB -0.999 36.936 38.000 -0.108 0.000 1.051 499 I HN 0.201 nan 8.210 nan 0.000 0.409 500 M N -0.608 118.963 119.600 -0.048 0.000 2.149 500 M HA -0.235 4.228 4.480 -0.029 0.000 0.261 500 M C 2.437 178.858 176.300 0.203 0.000 1.064 500 M CA 1.664 56.992 55.300 0.046 0.000 1.102 500 M CB -0.394 32.212 32.600 0.009 0.000 1.369 500 M HN 0.175 nan 8.290 nan 0.000 0.408 501 R N 0.025 120.597 120.500 0.120 0.000 2.057 501 R HA -0.097 4.226 4.340 -0.029 0.000 0.224 501 R C 2.396 178.790 176.300 0.157 0.000 1.136 501 R CA 1.841 58.017 56.100 0.127 0.000 0.968 501 R CB -0.242 30.106 30.300 0.081 0.000 0.863 501 R HN 0.402 nan 8.270 nan 0.000 0.433 502 S N 0.232 116.015 115.700 0.138 0.000 2.423 502 S HA -0.012 4.441 4.470 -0.029 0.000 0.231 502 S C 1.453 176.118 174.600 0.109 0.000 1.014 502 S CA 0.445 58.751 58.200 0.176 0.000 0.965 502 S CB 0.030 63.307 63.200 0.129 0.000 0.785 502 S HN 0.247 nan 8.310 nan 0.000 0.495 503 R N 1.514 122.094 120.500 0.133 0.000 2.388 503 R HA 0.407 4.729 4.340 -0.029 0.000 0.247 503 R C -0.273 176.202 176.300 0.293 0.000 0.931 503 R CA -0.047 56.152 56.100 0.165 0.000 1.082 503 R CB -0.496 29.962 30.300 0.264 0.000 1.135 503 R HN 0.314 nan 8.270 nan 0.000 0.525 504 S N 2.843 118.661 115.700 0.198 0.000 2.438 504 S HA 0.227 4.680 4.470 -0.029 0.000 0.293 504 S C -1.612 172.970 174.600 -0.029 0.000 1.141 504 S CA -1.180 57.085 58.200 0.108 0.000 1.080 504 S CB 1.879 65.141 63.200 0.103 0.000 0.978 504 S HN 0.034 nan 8.310 nan 0.000 0.479 505 P HA -0.003 nan 4.420 nan 0.000 0.223 505 P C 1.256 178.534 177.300 -0.038 0.000 1.151 505 P CA 0.463 63.484 63.100 -0.132 0.000 0.787 505 P CB 0.092 31.684 31.700 -0.181 0.000 0.788 506 I N -0.044 120.504 120.570 -0.037 0.000 2.700 506 I HA -0.156 3.997 4.170 -0.029 0.000 0.261 506 I C 1.047 177.183 176.117 0.032 0.000 1.219 506 I CA 1.008 62.292 61.300 -0.026 0.000 1.463 506 I CB -0.146 37.823 38.000 -0.052 0.000 1.092 506 I HN -0.120 nan 8.210 nan 0.000 0.452 507 N N -0.338 118.434 118.700 0.120 0.000 2.336 507 N HA 0.046 4.769 4.740 -0.029 0.000 0.189 507 N C 0.291 175.940 175.510 0.232 0.000 1.113 507 N CA 0.553 53.712 53.050 0.182 0.000 0.858 507 N CB 0.054 38.674 38.487 0.222 0.000 0.970 507 N HN 0.557 nan 8.380 nan 0.000 0.471 508 H N -0.781 118.271 119.070 -0.031 0.000 2.665 508 H HA 0.213 4.751 4.556 -0.029 0.000 0.248 508 H C 1.079 176.384 175.328 -0.039 0.000 1.175 508 H CA -0.142 55.887 56.048 -0.031 0.000 0.952 508 H CB 0.892 30.635 29.762 -0.032 0.000 1.883 508 H HN -0.098 nan 8.280 nan 0.000 0.623 509 V N 0.640 120.583 119.914 0.049 0.000 2.407 509 V HA -0.253 3.850 4.120 -0.029 0.000 0.248 509 V C 1.934 178.027 176.094 -0.001 0.000 1.055 509 V CA 1.806 64.106 62.300 -0.000 0.000 1.049 509 V CB -0.154 31.646 31.823 -0.038 0.000 0.662 509 V HN 0.480 nan 8.190 nan 0.000 0.455 510 D N -0.040 120.356 120.400 -0.007 0.000 2.190 510 D HA -0.171 4.452 4.640 -0.029 0.000 0.200 510 D C 2.324 178.625 176.300 0.002 0.000 0.992 510 D CA 1.079 55.074 54.000 -0.009 0.000 0.854 510 D CB -0.203 40.583 40.800 -0.023 0.000 0.936 510 D HN 0.380 nan 8.370 nan 0.000 0.462 511 R N 0.163 120.670 120.500 0.012 0.000 2.236 511 R HA 0.084 4.407 4.340 -0.029 0.000 0.208 511 R C 0.866 177.181 176.300 0.026 0.000 1.036 511 R CA -0.003 56.109 56.100 0.021 0.000 1.001 511 R CB 0.119 30.441 30.300 0.037 0.000 0.896 511 R HN 0.263 nan 8.270 nan 0.000 0.464 512 I N 2.110 122.695 120.570 0.025 0.000 2.683 512 I HA -0.099 4.053 4.170 -0.029 0.000 0.286 512 I C 1.183 177.324 176.117 0.041 0.000 1.175 512 I CA 0.695 62.014 61.300 0.032 0.000 1.429 512 I CB 0.495 38.508 38.000 0.022 0.000 1.371 512 I HN -0.177 nan 8.210 nan 0.000 0.569 513 K N 3.939 124.370 120.400 0.053 0.000 2.529 513 K HA 0.256 4.558 4.320 -0.029 0.000 0.215 513 K C -0.091 176.555 176.600 0.077 0.000 1.286 513 K CA 0.116 56.437 56.287 0.056 0.000 0.997 513 K CB 0.527 33.053 32.500 0.043 0.000 1.063 513 K HN 0.480 nan 8.250 nan 0.000 0.590 514 E N 1.049 121.308 120.200 0.098 0.000 2.222 514 E HA 0.335 4.667 4.350 -0.029 0.000 0.272 514 E C -2.645 174.057 176.600 0.171 0.000 0.982 514 E CA -2.295 54.185 56.400 0.134 0.000 0.842 514 E CB 0.810 30.605 29.700 0.158 0.000 1.144 514 E HN -0.205 nan 8.360 nan 0.000 0.397 515 P HA -0.024 nan 4.420 nan 0.000 0.264 515 P C -1.174 176.350 177.300 0.374 0.000 1.183 515 P CA 0.042 63.337 63.100 0.325 0.000 0.763 515 P CB 0.314 32.248 31.700 0.390 0.000 0.807 516 L N 3.175 124.531 121.223 0.220 0.000 2.409 516 L HA 0.717 5.040 4.340 -0.029 0.000 0.272 516 L C -1.054 175.648 176.870 -0.280 0.000 0.980 516 L CA -0.855 53.993 54.840 0.013 0.000 0.826 516 L CB 1.630 43.717 42.059 0.047 0.000 1.268 516 L HN 0.380 nan 8.230 nan 0.000 0.407 517 A N 6.292 128.706 122.820 -0.678 0.000 2.258 517 A HA 0.714 5.017 4.320 -0.029 0.000 0.316 517 A C -1.029 176.394 177.584 -0.269 0.000 1.279 517 A CA -0.484 51.137 52.037 -0.693 0.000 0.876 517 A CB 0.275 18.475 19.000 -1.333 0.000 1.170 517 A HN 0.715 nan 8.150 nan 0.000 0.520 518 L N 3.377 124.559 121.223 -0.067 0.000 2.276 518 L HA 0.543 4.865 4.340 -0.029 0.000 0.286 518 L C -0.570 176.339 176.870 0.064 0.000 1.061 518 L CA -0.113 54.730 54.840 0.006 0.000 0.807 518 L CB 1.065 43.154 42.059 0.049 0.000 1.177 518 L HN 0.569 nan 8.230 nan 0.000 0.429 519 I N 2.327 122.925 120.570 0.048 0.000 2.498 519 I HA 0.404 4.556 4.170 -0.029 0.000 0.290 519 I C -0.976 175.200 176.117 0.097 0.000 1.032 519 I CA -0.488 60.856 61.300 0.074 0.000 1.073 519 I CB 2.046 40.043 38.000 -0.004 0.000 1.251 519 I HN 0.561 nan 8.210 nan 0.000 0.426 520 H N 6.075 125.153 119.070 0.014 0.000 3.128 520 H HA 0.337 4.875 4.556 -0.030 0.000 0.336 520 H C -2.781 172.553 175.328 0.010 0.000 1.026 520 H CA -1.151 54.885 56.048 -0.019 0.000 1.376 520 H CB 2.727 32.464 29.762 -0.042 0.000 1.882 520 H HN 0.217 nan 8.280 nan 0.000 0.479 521 P HA 0.002 nan 4.420 nan 0.000 0.276 521 P C 0.200 177.576 177.300 0.126 0.000 1.230 521 P CA -0.196 62.935 63.100 0.052 0.000 0.776 521 P CB 1.178 32.887 31.700 0.016 0.000 0.888 522 Q N 2.834 122.694 119.800 0.099 0.000 2.167 522 Q HA -0.118 4.205 4.340 -0.029 0.000 0.202 522 Q C 0.438 176.483 176.000 0.075 0.000 0.970 522 Q CA 1.413 57.270 55.803 0.089 0.000 0.855 522 Q CB -0.461 28.307 28.738 0.051 0.000 0.911 522 Q HN 0.283 nan 8.270 nan 0.000 0.438 523 N N 1.246 119.982 118.700 0.061 0.000 2.273 523 N HA 0.064 4.786 4.740 -0.029 0.000 0.231 523 N C -0.937 174.599 175.510 0.044 0.000 1.134 523 N CA -0.015 53.060 53.050 0.041 0.000 0.856 523 N CB 0.301 38.805 38.487 0.028 0.000 1.068 523 N HN 0.278 nan 8.380 nan 0.000 0.510 524 D N 0.983 121.424 120.400 0.069 0.000 2.487 524 D HA -0.025 4.597 4.640 -0.029 0.000 0.243 524 D C 0.871 177.182 176.300 0.018 0.000 1.154 524 D CA 0.455 54.494 54.000 0.065 0.000 0.876 524 D CB 0.769 41.608 40.800 0.064 0.000 1.161 524 D HN 0.211 nan 8.370 nan 0.000 0.478 525 S N 3.189 118.865 115.700 -0.040 0.000 2.559 525 S HA 0.173 4.626 4.470 -0.029 0.000 0.226 525 S C 1.256 175.675 174.600 -0.301 0.000 1.000 525 S CA -0.426 57.707 58.200 -0.112 0.000 0.948 525 S CB 0.553 63.706 63.200 -0.079 0.000 0.870 525 S HN 0.433 nan 8.310 nan 0.000 0.497 526 R N 1.712 121.964 120.500 -0.412 0.000 2.072 526 R HA 0.139 4.462 4.340 -0.029 0.000 0.214 526 R C 0.266 176.288 176.300 -0.463 0.000 1.168 526 R CA 1.261 56.834 56.100 -0.879 0.000 1.020 526 R CB -0.553 29.163 30.300 -0.973 0.000 0.914 526 R HN 0.504 nan 8.270 nan 0.000 0.449 527 T N 1.726 116.167 114.554 -0.188 0.000 3.029 527 T HA 0.359 4.691 4.350 -0.029 0.000 0.346 527 T C -2.556 172.216 174.700 0.119 0.000 1.211 527 T CA -2.207 59.871 62.100 -0.037 0.000 1.009 527 T CB 1.382 70.257 68.868 0.012 0.000 1.084 527 T HN -0.067 nan 8.240 nan 0.000 0.536 528 P HA 0.154 nan 4.420 nan 0.000 0.274 528 P C 0.810 178.109 177.300 -0.002 0.000 1.237 528 P CA -0.779 62.345 63.100 0.039 0.000 0.793 528 P CB 1.107 32.786 31.700 -0.034 0.000 0.977 529 L N 2.011 123.198 121.223 -0.060 0.000 2.156 529 L HA -0.037 4.285 4.340 -0.029 0.000 0.208 529 L C 2.455 179.180 176.870 -0.242 0.000 1.095 529 L CA 1.811 56.479 54.840 -0.287 0.000 0.770 529 L CB -1.106 40.888 42.059 -0.108 0.000 0.914 529 L HN 0.320 nan 8.230 nan 0.000 0.439 530 K N -0.169 120.151 120.400 -0.133 0.000 2.020 530 K HA -0.163 4.140 4.320 -0.029 0.000 0.212 530 K C -0.472 176.053 176.600 -0.125 0.000 1.050 530 K CA 2.065 58.288 56.287 -0.106 0.000 0.929 530 K CB -1.065 31.395 32.500 -0.065 0.000 0.714 530 K HN 0.261 nan 8.250 nan 0.000 0.443 531 P HA -0.178 nan 4.420 nan 0.000 0.216 531 P C 1.212 178.407 177.300 -0.174 0.000 1.150 531 P CA 0.997 64.017 63.100 -0.132 0.000 0.843 531 P CB 0.048 31.670 31.700 -0.130 0.000 0.787 532 L N -1.245 119.827 121.223 -0.253 0.000 2.093 532 L HA -0.109 4.214 4.340 -0.029 0.000 0.208 532 L C 2.201 178.940 176.870 -0.218 0.000 1.085 532 L CA 1.536 56.204 54.840 -0.287 0.000 0.755 532 L CB -1.035 40.719 42.059 -0.507 0.000 0.904 532 L HN -0.134 nan 8.230 nan 0.000 0.435 533 L N -0.864 120.249 121.223 -0.183 0.000 2.042 533 L HA -0.248 4.075 4.340 -0.029 0.000 0.210 533 L C 2.755 179.552 176.870 -0.121 0.000 1.076 533 L CA 1.617 56.382 54.840 -0.125 0.000 0.749 533 L CB -0.586 41.418 42.059 -0.092 0.000 0.893 533 L HN 0.273 nan 8.230 nan 0.000 0.432 534 R N 0.246 120.675 120.500 -0.117 0.000 2.096 534 R HA -0.208 4.114 4.340 -0.029 0.000 0.235 534 R C 2.313 178.532 176.300 -0.134 0.000 1.127 534 R CA 1.331 57.369 56.100 -0.103 0.000 0.968 534 R CB -0.262 29.988 30.300 -0.083 0.000 0.861 534 R HN 0.183 nan 8.270 nan 0.000 0.440 535 L N 0.596 121.720 121.223 -0.166 0.000 2.042 535 L HA -0.144 4.179 4.340 -0.029 0.000 0.210 535 L C 1.999 178.681 176.870 -0.313 0.000 1.076 535 L CA 1.841 56.557 54.840 -0.207 0.000 0.749 535 L CB -0.280 41.654 42.059 -0.209 0.000 0.893 535 L HN 0.276 nan 8.230 nan 0.000 0.432 536 M N -1.078 118.314 119.600 -0.347 0.000 2.159 536 M HA -0.100 4.363 4.480 -0.029 0.000 0.263 536 M C 2.165 178.264 176.300 -0.335 0.000 1.063 536 M CA 1.535 56.511 55.300 -0.540 0.000 1.110 536 M CB -1.039 31.410 32.600 -0.252 0.000 1.374 536 M HN 0.472 nan 8.290 nan 0.000 0.411 537 G N 0.222 108.917 108.800 -0.175 0.000 2.446 537 G HA2 -0.204 3.738 3.960 -0.029 0.000 0.217 537 G HA3 -0.204 3.738 3.960 -0.029 0.000 0.217 537 G C 1.456 176.293 174.900 -0.105 0.000 1.168 537 G CA 0.753 45.795 45.100 -0.098 0.000 0.771 537 G HN 0.342 nan 8.290 nan 0.000 0.551 538 E N 0.385 120.503 120.200 -0.136 0.000 2.072 538 E HA -0.011 4.321 4.350 -0.029 0.000 0.191 538 E C 2.732 179.255 176.600 -0.128 0.000 0.985 538 E CA 0.395 56.728 56.400 -0.112 0.000 0.801 538 E CB -0.332 29.303 29.700 -0.108 0.000 0.750 538 E HN 0.448 nan 8.360 nan 0.000 0.452 539 L N 0.388 121.467 121.223 -0.241 0.000 2.046 539 L HA -0.187 4.135 4.340 -0.029 0.000 0.208 539 L C 2.545 179.372 176.870 -0.071 0.000 1.077 539 L CA 0.591 55.276 54.840 -0.258 0.000 0.747 539 L CB -0.418 41.211 42.059 -0.715 0.000 0.896 539 L HN 0.147 nan 8.230 nan 0.000 0.432 540 L N 0.226 121.428 121.223 -0.035 0.000 2.027 540 L HA -0.098 4.225 4.340 -0.029 0.000 0.206 540 L C 2.588 179.490 176.870 0.054 0.000 1.074 540 L CA 2.072 56.984 54.840 0.120 0.000 0.745 540 L CB -0.783 41.353 42.059 0.129 0.000 0.898 540 L HN 0.117 nan 8.230 nan 0.000 0.433 541 A N -0.554 122.272 122.820 0.009 0.000 2.019 541 A HA -0.147 4.156 4.320 -0.029 0.000 0.219 541 A C 2.248 179.835 177.584 0.005 0.000 1.164 541 A CA 1.532 53.572 52.037 0.004 0.000 0.644 541 A CB -0.498 18.494 19.000 -0.012 0.000 0.805 541 A HN 0.546 nan 8.150 nan 0.000 0.449 542 R N -1.490 119.011 120.500 0.002 0.000 2.359 542 R HA 0.272 4.594 4.340 -0.029 0.000 0.231 542 R C 1.014 177.328 176.300 0.023 0.000 0.913 542 R CA 0.459 56.561 56.100 0.004 0.000 1.075 542 R CB 0.103 30.397 30.300 -0.010 0.000 1.087 542 R HN 0.599 nan 8.270 nan 0.000 0.515 543 G N 1.827 110.652 108.800 0.042 0.000 2.160 543 G HA2 -0.265 3.678 3.960 -0.029 0.000 0.251 543 G HA3 -0.265 3.678 3.960 -0.029 0.000 0.251 543 G C -0.222 174.724 174.900 0.077 0.000 1.008 543 G CA -0.009 45.124 45.100 0.056 0.000 0.724 543 G HN 0.066 nan 8.290 nan 0.000 0.514 544 K N 0.687 121.145 120.400 0.097 0.000 2.185 544 K HA 0.449 4.751 4.320 -0.029 0.000 0.271 544 K C 0.565 177.293 176.600 0.214 0.000 1.013 544 K CA -0.233 56.126 56.287 0.120 0.000 0.943 544 K CB 0.842 33.388 32.500 0.077 0.000 0.998 544 K HN 0.110 nan 8.250 nan 0.000 0.468 545 T N 4.037 118.698 114.554 0.178 0.000 2.814 545 T HA 0.389 4.722 4.350 -0.029 0.000 0.297 545 T C -0.170 174.700 174.700 0.284 0.000 0.956 545 T CA -0.022 62.186 62.100 0.181 0.000 1.123 545 T CB -0.460 68.489 68.868 0.136 0.000 0.902 545 T HN 0.468 nan 8.240 nan 0.000 0.528 546 F N 1.025 120.988 119.950 0.022 0.000 2.678 546 F HA 0.674 5.183 4.527 -0.030 0.000 0.308 546 F C -0.917 174.868 175.800 -0.025 0.000 1.118 546 F CA -1.277 56.715 58.000 -0.013 0.000 0.959 546 F CB 1.418 40.394 39.000 -0.040 0.000 1.305 546 F HN 0.545 nan 8.300 nan 0.000 0.443 547 E N 2.562 122.686 120.200 -0.127 0.000 2.320 547 E HA 0.903 5.235 4.350 -0.029 0.000 0.264 547 E C -1.668 174.931 176.600 -0.001 0.000 0.923 547 E CA -1.559 54.711 56.400 -0.216 0.000 0.796 547 E CB 2.455 32.115 29.700 -0.067 0.000 1.262 547 E HN 1.121 nan 8.360 nan 0.000 0.428 548 A N 1.806 124.563 122.820 -0.106 0.000 2.520 548 A HA 0.516 4.818 4.320 -0.029 0.000 0.298 548 A C -1.534 175.911 177.584 -0.232 0.000 1.051 548 A CA -0.733 51.315 52.037 0.019 0.000 0.690 548 A CB 1.398 20.474 19.000 0.127 0.000 1.281 548 A HN 0.707 nan 8.150 nan 0.000 0.402 549 H N 2.055 121.127 119.070 0.004 0.000 3.013 549 H HA 0.394 4.933 4.556 -0.029 0.000 0.326 549 H C -1.274 174.071 175.328 0.028 0.000 0.973 549 H CA -0.270 55.781 56.048 0.004 0.000 1.369 549 H CB 1.476 31.228 29.762 -0.016 0.000 1.598 549 H HN 0.522 nan 8.280 nan 0.000 0.518 550 I N 4.569 125.195 120.570 0.094 0.000 2.339 550 I HA 0.178 4.330 4.170 -0.029 0.000 0.290 550 I C -0.164 175.999 176.117 0.077 0.000 0.994 550 I CA -0.775 60.578 61.300 0.089 0.000 1.191 550 I CB 1.248 39.279 38.000 0.052 0.000 1.343 550 I HN 0.294 nan 8.210 nan 0.000 0.458 551 I N 9.340 129.958 120.570 0.080 0.000 2.353 551 I HA 0.326 4.478 4.170 -0.029 0.000 0.293 551 I C -2.029 174.117 176.117 0.048 0.000 0.992 551 I CA -2.034 59.301 61.300 0.059 0.000 1.268 551 I CB 1.029 39.062 38.000 0.055 0.000 1.387 551 I HN 0.333 nan 8.210 nan 0.000 0.478 552 P HA 0.143 nan 4.420 nan 0.000 0.277 552 P C -0.672 176.645 177.300 0.027 0.000 1.240 552 P CA -0.132 62.985 63.100 0.029 0.000 0.798 552 P CB 0.604 32.317 31.700 0.022 0.000 0.979 553 D N -1.349 119.067 120.400 0.025 0.000 2.702 553 D HA -0.156 4.467 4.640 -0.029 0.000 0.233 553 D C -0.039 176.278 176.300 0.028 0.000 1.164 553 D CA 1.584 55.597 54.000 0.023 0.000 0.638 553 D CB -1.410 39.400 40.800 0.017 0.000 1.041 553 D HN 0.626 nan 8.370 nan 0.000 0.422 554 A N -0.982 121.859 122.820 0.036 0.000 2.556 554 A HA 0.858 5.160 4.320 -0.029 0.000 0.294 554 A C 0.489 178.104 177.584 0.052 0.000 1.091 554 A CA -0.016 52.046 52.037 0.042 0.000 0.704 554 A CB 2.129 21.153 19.000 0.040 0.000 1.300 554 A HN 0.255 nan 8.150 nan 0.000 0.406 555 G N -1.235 107.604 108.800 0.065 0.000 3.251 555 G HA2 0.441 4.383 3.960 -0.029 0.000 0.248 555 G HA3 0.441 4.383 3.960 -0.029 0.000 0.248 555 G C 0.384 175.352 174.900 0.113 0.000 1.320 555 G CA 0.103 45.252 45.100 0.082 0.000 0.982 555 G HN 0.893 nan 8.290 nan 0.000 0.575 556 H N -0.452 118.648 119.070 0.049 0.000 2.387 556 H HA 0.202 4.740 4.556 -0.028 0.000 0.299 556 H C 1.736 177.176 175.328 0.186 0.000 1.090 556 H CA 1.629 57.738 56.048 0.101 0.000 1.332 556 H CB 0.064 29.859 29.762 0.055 0.000 1.386 556 H HN 0.458 nan 8.280 nan 0.000 0.516 557 A N 1.306 124.285 122.820 0.264 0.000 2.478 557 A HA 0.291 4.594 4.320 -0.029 0.000 0.327 557 A C -0.527 177.118 177.584 0.102 0.000 1.431 557 A CA -0.526 51.624 52.037 0.188 0.000 1.014 557 A CB -0.339 18.784 19.000 0.204 0.000 1.143 557 A HN 0.251 nan 8.150 nan 0.000 0.532 558 I N 3.789 124.384 120.570 0.042 0.000 2.421 558 I HA 0.038 4.191 4.170 -0.029 0.000 0.291 558 I C 0.680 176.796 176.117 -0.003 0.000 1.089 558 I CA 0.077 61.380 61.300 0.004 0.000 1.354 558 I CB 0.017 37.984 38.000 -0.054 0.000 1.413 558 I HN 0.814 nan 8.210 nan 0.000 0.513 559 N N 3.831 122.536 118.700 0.009 0.000 2.177 559 N HA -0.002 4.720 4.740 -0.029 0.000 0.218 559 N C 0.101 175.604 175.510 -0.012 0.000 1.182 559 N CA -0.268 52.782 53.050 -0.001 0.000 0.882 559 N CB 0.620 39.115 38.487 0.013 0.000 1.052 559 N HN 0.580 nan 8.380 nan 0.000 0.519 560 T N -3.497 111.050 114.554 -0.012 0.000 2.916 560 T HA 0.450 4.783 4.350 -0.029 0.000 0.292 560 T C 1.120 175.809 174.700 -0.019 0.000 1.055 560 T CA -0.764 61.326 62.100 -0.015 0.000 1.009 560 T CB 1.663 70.525 68.868 -0.010 0.000 1.118 560 T HN -0.117 nan 8.240 nan 0.000 0.497 561 M N 0.593 120.181 119.600 -0.020 0.000 2.229 561 M HA -0.013 4.450 4.480 -0.029 0.000 0.264 561 M C 2.151 178.441 176.300 -0.017 0.000 1.063 561 M CA 1.550 56.838 55.300 -0.020 0.000 1.114 561 M CB -0.354 32.233 32.600 -0.022 0.000 1.387 561 M HN 0.774 nan 8.290 nan 0.000 0.420 562 E N 0.374 120.565 120.200 -0.014 0.000 2.107 562 E HA -0.167 4.166 4.350 -0.029 0.000 0.191 562 E C 1.412 178.004 176.600 -0.014 0.000 0.982 562 E CA 0.892 57.284 56.400 -0.014 0.000 0.809 562 E CB -0.020 29.674 29.700 -0.009 0.000 0.756 562 E HN 0.449 nan 8.360 nan 0.000 0.459 563 D N 0.616 121.010 120.400 -0.009 0.000 2.144 563 D HA -0.101 4.521 4.640 -0.029 0.000 0.200 563 D C 1.839 178.132 176.300 -0.012 0.000 0.978 563 D CA 1.146 55.143 54.000 -0.005 0.000 0.833 563 D CB -0.184 40.617 40.800 0.003 0.000 0.961 563 D HN 0.135 nan 8.370 nan 0.000 0.470 564 A N 0.457 123.267 122.820 -0.016 0.000 1.930 564 A HA -0.116 4.187 4.320 -0.029 0.000 0.217 564 A C 2.484 180.059 177.584 -0.017 0.000 1.175 564 A CA 1.041 53.073 52.037 -0.009 0.000 0.627 564 A CB -0.684 18.311 19.000 -0.008 0.000 0.815 564 A HN 0.135 nan 8.150 nan 0.000 0.443 565 V N 0.276 120.170 119.914 -0.034 0.000 2.295 565 V HA -0.296 3.807 4.120 -0.029 0.000 0.246 565 V C 2.423 178.457 176.094 -0.101 0.000 1.049 565 V CA 2.414 64.672 62.300 -0.071 0.000 1.024 565 V CB -0.691 31.096 31.823 -0.061 0.000 0.648 565 V HN 0.557 nan 8.190 nan 0.000 0.447 566 K N 0.065 120.427 120.400 -0.064 0.000 2.147 566 K HA -0.145 4.157 4.320 -0.029 0.000 0.205 566 K C 1.916 178.471 176.600 -0.075 0.000 1.049 566 K CA 1.914 58.166 56.287 -0.058 0.000 0.936 566 K CB -0.288 32.203 32.500 -0.014 0.000 0.722 566 K HN 0.722 nan 8.250 nan 0.000 0.446 567 I N -2.512 118.021 120.570 -0.062 0.000 3.427 567 I HA 0.007 4.160 4.170 -0.029 0.000 0.288 567 I C 1.696 177.708 176.117 -0.175 0.000 1.249 567 I CA 0.476 61.739 61.300 -0.061 0.000 1.421 567 I CB 0.152 38.170 38.000 0.030 0.000 1.086 567 I HN -0.099 nan 8.210 nan 0.000 0.448 568 L N 0.061 121.156 121.223 -0.212 0.000 2.269 568 L HA 0.266 4.589 4.340 -0.029 0.000 0.200 568 L C 2.012 178.661 176.870 -0.368 0.000 1.069 568 L CA 1.216 55.839 54.840 -0.363 0.000 0.804 568 L CB -0.689 41.235 42.059 -0.225 0.000 0.987 568 L HN 0.285 nan 8.230 nan 0.000 0.468 569 L N 0.898 121.911 121.223 -0.350 0.000 2.013 569 L HA -0.112 4.210 4.340 -0.029 0.000 0.212 569 L C -0.626 175.867 176.870 -0.627 0.000 1.073 569 L CA 2.304 56.825 54.840 -0.531 0.000 0.753 569 L CB -1.733 39.995 42.059 -0.552 0.000 0.890 569 L HN 0.180 nan 8.230 nan 0.000 0.432 570 P HA -0.123 nan 4.420 nan 0.000 0.218 570 P C 1.501 178.629 177.300 -0.286 0.000 1.149 570 P CA 1.823 64.642 63.100 -0.468 0.000 0.817 570 P CB -0.184 31.040 31.700 -0.793 0.000 0.785 571 A N -0.549 122.090 122.820 -0.302 0.000 1.877 571 A HA -0.147 4.155 4.320 -0.029 0.000 0.216 571 A C 2.296 179.786 177.584 -0.157 0.000 1.186 571 A CA 1.886 53.790 52.037 -0.222 0.000 0.620 571 A CB -1.664 17.127 19.000 -0.347 0.000 0.822 571 A HN 0.038 nan 8.150 nan 0.000 0.443 572 V N -0.851 118.936 119.914 -0.212 0.000 2.379 572 V HA -0.176 3.927 4.120 -0.029 0.000 0.245 572 V C 2.349 178.500 176.094 0.095 0.000 1.044 572 V CA 1.577 63.800 62.300 -0.129 0.000 1.036 572 V CB -1.021 30.729 31.823 -0.122 0.000 0.664 572 V HN 0.494 nan 8.190 nan 0.000 0.453 573 F N -0.036 119.875 119.950 -0.065 0.000 2.095 573 F HA -0.178 4.330 4.527 -0.032 0.000 0.298 573 F C 2.305 178.099 175.800 -0.010 0.000 1.104 573 F CA 1.272 59.256 58.000 -0.027 0.000 1.232 573 F CB -1.345 37.643 39.000 -0.020 0.000 0.987 573 F HN 0.245 nan 8.300 nan 0.000 0.475 574 F N 0.678 120.664 119.950 0.059 0.000 2.095 574 F HA -0.200 4.318 4.527 -0.015 0.000 0.298 574 F C 2.094 177.838 175.800 -0.093 0.000 1.104 574 F CA 1.586 59.574 58.000 -0.021 0.000 1.232 574 F CB -0.695 38.265 39.000 -0.067 0.000 0.987 574 F HN -0.122 nan 8.300 nan 0.000 0.475 575 L N -0.255 120.789 121.223 -0.299 0.000 2.156 575 L HA -0.102 4.220 4.340 -0.029 0.000 0.208 575 L C 2.766 179.505 176.870 -0.218 0.000 1.095 575 L CA 0.954 55.426 54.840 -0.613 0.000 0.770 575 L CB -1.167 40.328 42.059 -0.939 0.000 0.914 575 L HN 0.234 nan 8.230 nan 0.000 0.439 576 A N -0.352 122.494 122.820 0.043 0.000 1.902 576 A HA -0.185 4.118 4.320 -0.029 0.000 0.217 576 A C 2.383 179.957 177.584 -0.016 0.000 1.181 576 A CA 2.280 54.398 52.037 0.136 0.000 0.623 576 A CB -0.837 18.244 19.000 0.136 0.000 0.818 576 A HN 0.349 nan 8.150 nan 0.000 0.443 577 T N -0.206 114.295 114.554 -0.089 0.000 2.777 577 T HA -0.132 4.201 4.350 -0.029 0.000 0.266 577 T C 2.102 176.719 174.700 -0.139 0.000 1.040 577 T CA 1.468 63.499 62.100 -0.115 0.000 1.141 577 T CB -0.224 68.581 68.868 -0.106 0.000 0.868 577 T HN 0.417 nan 8.240 nan 0.000 0.444 578 Q N 0.734 120.375 119.800 -0.265 0.000 2.170 578 Q HA -0.037 4.286 4.340 -0.029 0.000 0.203 578 Q C 2.358 178.380 176.000 0.037 0.000 0.976 578 Q CA 1.104 56.799 55.803 -0.179 0.000 0.858 578 Q CB -0.334 28.202 28.738 -0.338 0.000 0.907 578 Q HN 0.474 nan 8.270 nan 0.000 0.433 579 R N 1.018 121.547 120.500 0.048 0.000 2.189 579 R HA -0.106 4.216 4.340 -0.029 0.000 0.223 579 R C 1.383 177.706 176.300 0.038 0.000 1.092 579 R CA 0.961 57.136 56.100 0.125 0.000 0.989 579 R CB 0.176 30.519 30.300 0.072 0.000 0.876 579 R HN 0.276 nan 8.270 nan 0.000 0.457 580 E N -0.114 120.085 120.200 -0.002 0.000 2.358 580 E HA -0.052 4.280 4.350 -0.029 0.000 0.195 580 E C 0.326 176.924 176.600 -0.004 0.000 1.010 580 E CA 0.206 56.598 56.400 -0.014 0.000 0.856 580 E CB 0.205 29.886 29.700 -0.032 0.000 0.795 580 E HN 0.298 nan 8.360 nan 0.000 0.504 581 R N 0.000 120.505 120.500 0.009 0.000 2.786 581 R HA 0.000 4.323 4.340 -0.029 0.000 0.208 581 R CA 0.000 56.109 56.100 0.015 0.000 0.921 581 R CB 0.000 30.314 30.300 0.023 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535