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 3a23_1_B DATA FIRST_RESID 47 DATA SEQUENCE TTRQITVPSA PMGWASWNSF AAKIDYSVIK KQVDAFVAAG LPAAGYTYIN DATA SEQUENCE IDEGWWQGTR DSAGNITVDT AEWPGGMSAI TAYIHSKGLK AGIYTDAGKD DATA SEQUENCE GcGYYYPTGR PAAPGSGSEG HYDQDMLQFS TWGFDFVKVD WcGGDAEGLD DATA SEQUENCE AATTYKSISD AVGRAAATTG RPLTLSICNW GYQNPWNWAA GQAPLWRTST DATA SEQUENCE DIIYYGNQPS MTSLLSNFDQ TLHPTAQHTG YYNDPDMLMV GMDGFTAAQN DATA SEQUENCE RTHMNLWAIS GAPLLAGNDL TTMTSETAGI LKNPEVIAVD QDSRGLQGVK DATA SEQUENCE VAEDTTGLQA YGKVLSGTGN RAVVLLNRTS AAHDITVRWS DLGLTNASAT DATA SEQUENCE VRDLWARQNV GTSATGYTAS VPAGGSVMLT VTGGTEAAGG AYAATSTGRY DATA SEQUENCE TGVTAASTGL NVVDVAYTNN TSSARTATLQ VNGQTATTVS FPPTGASAGT DATA SEQUENCE VSVEVSLSKG SANTLALSGG PATEGITVRP LPGTNGALVT GKQSGRcADI DATA SEQUENCE YNNTITNGTQ AELWDcNGGP NQSWTYTSRK ELVLYGNKcL DAYNLGTTNG DATA SEQUENCE TKVVIWDcNG QANQKWNINS DGTITNVNAG LcLDAYNAAT ANGTSLVLWS DATA SEQUENCE cGTGDNQKWT VT 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 47 T HA 0.000 nan 4.350 nan 0.000 0.228 47 T C 0.000 174.699 174.700 -0.001 0.000 1.109 47 T CA 0.000 62.100 62.100 -0.001 0.000 1.349 47 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 48 T N 3.510 118.065 114.554 0.001 0.000 2.906 48 T HA 0.308 4.657 4.350 -0.002 0.000 0.320 48 T C 0.964 175.662 174.700 -0.002 0.000 1.088 48 T CA -0.416 61.683 62.100 -0.002 0.000 1.120 48 T CB 0.093 68.962 68.868 0.002 0.000 1.000 48 T HN 0.886 nan 8.240 nan 0.000 0.550 49 R N 2.177 122.671 120.500 -0.010 0.000 2.543 49 R HA 0.182 4.520 4.340 -0.002 0.000 0.277 49 R C -0.457 175.844 176.300 0.002 0.000 1.074 49 R CA -0.438 55.657 56.100 -0.008 0.000 1.076 49 R CB 0.423 30.714 30.300 -0.015 0.000 0.993 49 R HN 0.581 nan 8.270 nan 0.000 0.459 50 Q N 2.439 122.246 119.800 0.011 0.000 2.267 50 Q HA 0.279 4.617 4.340 -0.002 0.000 0.255 50 Q C -0.316 175.705 176.000 0.035 0.000 0.923 50 Q CA -0.609 55.211 55.803 0.029 0.000 0.925 50 Q CB 1.477 30.228 28.738 0.022 0.000 1.195 50 Q HN 0.459 nan 8.270 nan 0.000 0.417 51 I N 2.500 123.111 120.570 0.068 0.000 2.342 51 I HA 0.113 4.281 4.170 -0.002 0.000 0.291 51 I C 0.497 176.653 176.117 0.065 0.000 1.010 51 I CA -0.175 61.172 61.300 0.079 0.000 1.308 51 I CB 1.119 39.213 38.000 0.157 0.000 1.400 51 I HN 0.565 nan 8.210 nan 0.000 0.488 52 T N 6.549 121.130 114.554 0.046 0.000 2.916 52 T HA 0.302 4.651 4.350 -0.002 0.000 0.303 52 T C 0.324 175.043 174.700 0.031 0.000 1.025 52 T CA -0.236 61.883 62.100 0.033 0.000 1.142 52 T CB 0.730 69.614 68.868 0.026 0.000 0.947 52 T HN 0.501 nan 8.240 nan 0.000 0.544 53 V N 2.128 122.052 119.914 0.017 0.000 2.881 53 V HA 0.733 4.851 4.120 -0.002 0.000 0.316 53 V C -2.718 173.388 176.094 0.021 0.000 1.070 53 V CA -3.001 59.295 62.300 -0.008 0.000 0.976 53 V CB 0.988 32.775 31.823 -0.060 0.000 1.038 53 V HN 0.537 nan 8.190 nan 0.000 0.446 54 P HA 0.277 nan 4.420 nan 0.000 0.269 54 P C -0.259 177.136 177.300 0.160 0.000 1.209 54 P CA 0.325 63.463 63.100 0.064 0.000 0.776 54 P CB 0.450 32.178 31.700 0.046 0.000 0.876 55 S N 0.686 116.443 115.700 0.095 0.000 2.693 55 S HA 0.592 5.061 4.470 -0.002 0.000 0.276 55 S C 0.114 174.595 174.600 -0.198 0.000 1.192 55 S CA -0.626 57.568 58.200 -0.010 0.000 0.994 55 S CB 0.883 64.046 63.200 -0.062 0.000 1.012 55 S HN 0.584 nan 8.310 nan 0.000 0.550 56 A N 1.951 124.337 122.820 -0.723 0.000 2.407 56 A HA 0.508 4.826 4.320 -0.002 0.000 0.248 56 A C -2.504 174.944 177.584 -0.226 0.000 1.082 56 A CA -1.253 50.375 52.037 -0.681 0.000 0.785 56 A CB -0.773 17.655 19.000 -0.954 0.000 1.020 56 A HN 0.473 nan 8.150 nan 0.000 0.489 57 P HA 0.212 nan 4.420 nan 0.000 0.269 57 P C -0.571 176.762 177.300 0.054 0.000 1.209 57 P CA 0.577 63.714 63.100 0.061 0.000 0.776 57 P CB 0.389 32.082 31.700 -0.012 0.000 0.876 58 M N 1.762 121.454 119.600 0.154 0.000 2.465 58 M HA 0.702 5.180 4.480 -0.002 0.000 0.316 58 M C 0.455 176.970 176.300 0.359 0.000 1.121 58 M CA -0.023 55.331 55.300 0.090 0.000 0.934 58 M CB 2.661 35.111 32.600 -0.249 0.000 1.692 58 M HN 0.590 nan 8.290 nan 0.000 0.444 59 G N 1.316 110.432 108.800 0.526 0.000 2.441 59 G HA2 0.338 4.296 3.960 -0.002 0.000 0.225 59 G HA3 0.338 4.296 3.960 -0.002 0.000 0.225 59 G C -2.948 172.358 174.900 0.677 0.000 1.200 59 G CA -0.689 44.823 45.100 0.687 0.000 0.947 59 G HN 0.767 nan 8.290 nan 0.000 0.484 60 W N 0.631 122.159 121.300 0.381 0.000 3.127 60 W HA 0.791 5.450 4.660 -0.003 0.000 0.330 60 W C -0.657 175.946 176.519 0.140 0.000 1.187 60 W CA -0.162 57.336 57.345 0.255 0.000 1.198 60 W CB 1.888 31.563 29.460 0.358 0.000 1.408 60 W HN 1.171 nan 8.180 nan 0.000 0.529 61 A N 2.304 124.581 122.820 -0.904 0.000 2.435 61 A HA 0.505 4.824 4.320 -0.002 0.000 0.304 61 A C 0.433 177.166 177.584 -1.418 0.000 1.064 61 A CA -0.043 51.462 52.037 -0.888 0.000 0.727 61 A CB 1.579 20.362 19.000 -0.360 0.000 1.284 61 A HN 1.054 nan 8.150 nan 0.000 0.415 62 S N 0.576 115.727 115.700 -0.915 0.000 2.522 62 S HA -0.111 4.358 4.470 -0.002 0.000 0.227 62 S C 1.379 175.968 174.600 -0.020 0.000 0.986 62 S CA 0.771 58.698 58.200 -0.455 0.000 0.929 62 S CB -0.350 62.844 63.200 -0.011 0.000 0.769 62 S HN 0.847 nan 8.310 nan 0.000 0.529 63 W N 2.839 123.996 121.300 -0.238 0.000 2.378 63 W HA -0.125 4.533 4.660 -0.003 0.000 0.313 63 W C 1.373 177.828 176.519 -0.107 0.000 1.197 63 W CA 1.278 58.531 57.345 -0.154 0.000 1.304 63 W CB -0.533 28.819 29.460 -0.180 0.000 1.148 63 W HN 0.310 nan 8.180 nan 0.000 0.494 64 N N 0.323 118.936 118.700 -0.146 0.000 2.149 64 N HA -0.151 4.588 4.740 -0.002 0.000 0.188 64 N C 1.705 177.076 175.510 -0.232 0.000 1.019 64 N CA 2.176 55.104 53.050 -0.203 0.000 0.857 64 N CB -0.749 37.683 38.487 -0.091 0.000 0.997 64 N HN -0.008 nan 8.380 nan 0.000 0.426 65 S N -1.374 114.206 115.700 -0.200 0.000 2.502 65 S HA 0.262 4.731 4.470 -0.002 0.000 0.215 65 S C 0.701 174.934 174.600 -0.611 0.000 1.009 65 S CA -0.117 57.871 58.200 -0.353 0.000 0.908 65 S CB 0.341 63.311 63.200 -0.383 0.000 0.801 65 S HN 0.244 nan 8.310 nan 0.000 0.505 66 F N 1.070 120.915 119.950 -0.174 0.000 2.767 66 F HA 0.554 5.079 4.527 -0.002 0.000 0.323 66 F C 1.349 176.802 175.800 -0.578 0.000 1.091 66 F CA 0.027 57.900 58.000 -0.212 0.000 1.192 66 F CB -0.197 38.781 39.000 -0.038 0.000 1.056 66 F HN 0.127 nan 8.300 nan 0.000 0.571 67 A N 1.562 123.817 122.820 -0.941 0.000 5.578 67 A HA -0.305 4.013 4.320 -0.002 0.000 0.312 67 A C 1.812 179.136 177.584 -0.434 0.000 1.861 67 A CA 1.588 52.716 52.037 -1.515 0.000 0.719 67 A CB -1.735 16.119 19.000 -1.909 0.000 1.323 67 A HN 0.741 nan 8.150 nan 0.000 0.387 68 A N -0.810 121.914 122.820 -0.160 0.000 2.238 68 A HA 0.291 4.609 4.320 -0.002 0.000 0.208 68 A C 1.020 178.667 177.584 0.105 0.000 1.177 68 A CA 1.289 53.413 52.037 0.145 0.000 0.804 68 A CB -0.414 18.700 19.000 0.191 0.000 0.823 68 A HN 0.531 nan 8.150 nan 0.000 0.482 69 K N 1.422 121.841 120.400 0.032 0.000 2.480 69 K HA 0.323 4.642 4.320 -0.002 0.000 0.241 69 K C -0.522 176.135 176.600 0.095 0.000 1.261 69 K CA 0.063 56.396 56.287 0.076 0.000 1.193 69 K CB -0.654 31.894 32.500 0.079 0.000 1.598 69 K HN 0.717 nan 8.250 nan 0.000 0.278 70 I N -2.014 118.621 120.570 0.108 0.000 2.740 70 I HA 0.578 4.747 4.170 -0.002 0.000 0.303 70 I C -0.825 175.288 176.117 -0.008 0.000 1.044 70 I CA -0.987 60.351 61.300 0.064 0.000 1.064 70 I CB 2.062 40.193 38.000 0.218 0.000 1.249 70 I HN 0.083 nan 8.210 nan 0.000 0.433 71 D N 2.340 122.558 120.400 -0.303 0.000 2.768 71 D HA 0.124 4.763 4.640 -0.002 0.000 0.327 71 D C 0.243 175.930 176.300 -1.023 0.000 1.302 71 D CA -0.680 52.752 54.000 -0.946 0.000 0.897 71 D CB 0.417 40.838 40.800 -0.631 0.000 1.420 71 D HN 0.610 nan 8.370 nan 0.000 0.494 72 Y N 0.854 120.383 120.300 -1.284 0.000 2.114 72 Y HA -0.227 4.322 4.550 -0.002 0.000 0.282 72 Y C 2.480 178.164 175.900 -0.360 0.000 1.165 72 Y CA 3.590 61.354 58.100 -0.560 0.000 1.148 72 Y CB -0.340 37.926 38.460 -0.323 0.000 0.972 72 Y HN 0.461 nan 8.280 nan 0.000 0.504 73 S N -0.980 114.620 115.700 -0.167 0.000 2.368 73 S HA -0.187 4.281 4.470 -0.002 0.000 0.225 73 S C 1.988 176.423 174.600 -0.275 0.000 1.030 73 S CA 1.547 59.639 58.200 -0.179 0.000 0.999 73 S CB -1.257 61.879 63.200 -0.105 0.000 0.844 73 S HN 0.262 nan 8.310 nan 0.000 0.459 74 V N 2.424 122.160 119.914 -0.297 0.000 2.255 74 V HA -0.144 3.974 4.120 -0.002 0.000 0.247 74 V C 2.623 178.497 176.094 -0.368 0.000 1.051 74 V CA 1.742 63.826 62.300 -0.361 0.000 1.018 74 V CB -0.761 30.795 31.823 -0.446 0.000 0.641 74 V HN 0.466 nan 8.190 nan 0.000 0.445 75 I N 0.104 120.500 120.570 -0.290 0.000 2.226 75 I HA -0.214 3.954 4.170 -0.002 0.000 0.245 75 I C 2.422 178.339 176.117 -0.333 0.000 1.100 75 I CA 1.666 62.846 61.300 -0.200 0.000 1.374 75 I CB -1.330 36.663 38.000 -0.011 0.000 1.057 75 I HN 0.403 nan 8.210 nan 0.000 0.413 76 K N 1.590 121.680 120.400 -0.516 0.000 2.044 76 K HA -0.226 4.092 4.320 -0.002 0.000 0.210 76 K C 2.106 178.501 176.600 -0.342 0.000 1.049 76 K CA 1.746 57.661 56.287 -0.619 0.000 0.927 76 K CB 0.009 31.973 32.500 -0.894 0.000 0.713 76 K HN 0.224 nan 8.250 nan 0.000 0.443 77 K N -0.082 120.143 120.400 -0.291 0.000 2.097 77 K HA -0.120 4.199 4.320 -0.002 0.000 0.205 77 K C 2.359 178.833 176.600 -0.210 0.000 1.050 77 K CA 1.198 57.368 56.287 -0.195 0.000 0.938 77 K CB 0.053 32.460 32.500 -0.155 0.000 0.718 77 K HN 0.206 nan 8.250 nan 0.000 0.442 78 Q N 0.369 119.974 119.800 -0.326 0.000 2.079 78 Q HA -0.094 4.245 4.340 -0.002 0.000 0.200 78 Q C 2.323 178.084 176.000 -0.398 0.000 0.974 78 Q CA 1.050 56.550 55.803 -0.506 0.000 0.840 78 Q CB -0.365 27.764 28.738 -1.015 0.000 0.898 78 Q HN 0.133 nan 8.270 nan 0.000 0.430 79 V N 2.230 121.966 119.914 -0.295 0.000 2.287 79 V HA -0.270 3.848 4.120 -0.002 0.000 0.248 79 V C 1.808 177.880 176.094 -0.036 0.000 1.053 79 V CA 2.185 64.385 62.300 -0.167 0.000 1.027 79 V CB -0.626 31.177 31.823 -0.034 0.000 0.646 79 V HN 0.264 nan 8.190 nan 0.000 0.447 80 D N 0.314 120.710 120.400 -0.008 0.000 2.123 80 D HA -0.139 4.499 4.640 -0.002 0.000 0.196 80 D C 2.206 178.507 176.300 0.001 0.000 0.992 80 D CA 1.726 55.739 54.000 0.023 0.000 0.833 80 D CB -0.386 40.429 40.800 0.025 0.000 0.954 80 D HN 0.465 nan 8.370 nan 0.000 0.455 81 A N 0.347 123.141 122.820 -0.043 0.000 1.898 81 A HA -0.148 4.170 4.320 -0.002 0.000 0.216 81 A C 2.097 179.666 177.584 -0.025 0.000 1.181 81 A CA 0.841 52.846 52.037 -0.053 0.000 0.620 81 A CB -0.970 17.969 19.000 -0.100 0.000 0.819 81 A HN 0.205 nan 8.150 nan 0.000 0.442 82 F N 0.822 120.648 119.950 -0.206 0.000 2.065 82 F HA -0.218 4.308 4.527 -0.002 0.000 0.298 82 F C 2.306 178.043 175.800 -0.104 0.000 1.112 82 F CA 2.203 60.096 58.000 -0.179 0.000 1.212 82 F CB -0.410 38.474 39.000 -0.193 0.000 0.975 82 F HN 0.042 nan 8.300 nan 0.000 0.476 83 V N 0.266 120.344 119.914 0.274 0.000 2.307 83 V HA -0.286 3.832 4.120 -0.002 0.000 0.245 83 V C 2.706 178.831 176.094 0.051 0.000 1.045 83 V CA 1.818 64.215 62.300 0.162 0.000 1.024 83 V CB -1.538 30.338 31.823 0.088 0.000 0.651 83 V HN 0.480 nan 8.190 nan 0.000 0.449 84 A N -0.078 122.755 122.820 0.021 0.000 1.972 84 A HA -0.077 4.242 4.320 -0.002 0.000 0.219 84 A C 2.267 179.833 177.584 -0.031 0.000 1.169 84 A CA 1.872 53.904 52.037 -0.008 0.000 0.635 84 A CB -0.602 18.390 19.000 -0.013 0.000 0.810 84 A HN 0.596 nan 8.150 nan 0.000 0.446 85 A N -1.787 120.997 122.820 -0.060 0.000 2.206 85 A HA 0.382 4.700 4.320 -0.002 0.000 0.211 85 A C 1.888 179.412 177.584 -0.101 0.000 1.158 85 A CA 1.268 53.245 52.037 -0.100 0.000 0.761 85 A CB -0.951 17.949 19.000 -0.167 0.000 0.801 85 A HN 1.889 nan 8.150 nan 0.000 0.473 86 G N -0.927 107.830 108.800 -0.072 0.000 2.143 86 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.248 86 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.248 86 G C 0.809 175.665 174.900 -0.074 0.000 0.991 86 G CA 0.515 45.587 45.100 -0.047 0.000 0.689 86 G HN 0.433 nan 8.290 nan 0.000 0.522 87 L N -0.195 120.904 121.223 -0.206 0.000 2.079 87 L HA -0.079 4.260 4.340 -0.002 0.000 0.210 87 L C 0.519 177.386 176.870 -0.005 0.000 1.081 87 L CA 2.052 56.707 54.840 -0.308 0.000 0.752 87 L CB -1.287 40.144 42.059 -1.047 0.000 0.896 87 L HN 0.223 nan 8.230 nan 0.000 0.433 88 P HA -0.195 nan 4.420 nan 0.000 0.215 88 P C 1.442 178.810 177.300 0.114 0.000 1.153 88 P CA 1.853 65.081 63.100 0.212 0.000 0.853 88 P CB -0.013 31.812 31.700 0.208 0.000 0.788 89 A N -0.328 122.533 122.820 0.068 0.000 2.067 89 A HA 0.015 4.333 4.320 -0.002 0.000 0.219 89 A C 2.183 179.788 177.584 0.035 0.000 1.158 89 A CA 1.626 53.686 52.037 0.039 0.000 0.661 89 A CB -1.361 17.651 19.000 0.021 0.000 0.801 89 A HN 0.206 nan 8.150 nan 0.000 0.452 90 A N -2.048 120.812 122.820 0.067 0.000 2.169 90 A HA 0.407 4.725 4.320 -0.002 0.000 0.212 90 A C 1.759 179.336 177.584 -0.013 0.000 1.153 90 A CA 1.403 53.480 52.037 0.067 0.000 0.756 90 A CB -0.507 18.599 19.000 0.176 0.000 0.813 90 A HN 1.701 nan 8.150 nan 0.000 0.471 91 G N -2.837 105.964 108.800 0.003 0.000 2.229 91 G HA2 -0.193 3.765 3.960 -0.002 0.000 0.189 91 G HA3 -0.193 3.765 3.960 -0.002 0.000 0.189 91 G C -0.059 174.792 174.900 -0.082 0.000 1.000 91 G CA -0.156 44.896 45.100 -0.080 0.000 0.663 91 G HN 0.323 nan 8.290 nan 0.000 0.493 92 Y N 1.558 121.897 120.300 0.065 0.000 2.465 92 Y HA 0.464 5.013 4.550 -0.003 0.000 0.331 92 Y C 1.783 177.907 175.900 0.374 0.000 1.102 92 Y CA 1.378 59.587 58.100 0.181 0.000 1.358 92 Y CB 1.350 39.790 38.460 -0.034 0.000 1.213 92 Y HN 0.067 nan 8.280 nan 0.000 0.525 93 T N 1.158 115.961 114.554 0.414 0.000 3.115 93 T HA 0.110 4.458 4.350 -0.002 0.000 0.256 93 T C -0.620 174.014 174.700 -0.109 0.000 0.970 93 T CA -0.089 62.057 62.100 0.076 0.000 1.010 93 T CB -0.026 68.749 68.868 -0.156 0.000 1.151 93 T HN 0.247 nan 8.240 nan 0.000 0.479 94 Y N 1.722 122.101 120.300 0.131 0.000 2.308 94 Y HA 0.489 5.037 4.550 -0.003 0.000 0.329 94 Y C 0.165 176.057 175.900 -0.012 0.000 1.111 94 Y CA -1.119 56.980 58.100 -0.002 0.000 1.179 94 Y CB 0.594 38.963 38.460 -0.152 0.000 1.201 94 Y HN 0.048 nan 8.280 nan 0.000 0.483 95 I N 4.534 125.150 120.570 0.076 0.000 2.371 95 I HA 0.196 4.365 4.170 -0.002 0.000 0.282 95 I C -0.834 175.383 176.117 0.167 0.000 1.031 95 I CA -0.770 60.611 61.300 0.134 0.000 1.180 95 I CB 0.615 38.600 38.000 -0.025 0.000 1.336 95 I HN 0.604 nan 8.210 nan 0.000 0.467 96 N N 7.274 126.048 118.700 0.123 0.000 2.437 96 N HA 0.449 5.188 4.740 -0.002 0.000 0.259 96 N C -0.254 175.261 175.510 0.009 0.000 0.983 96 N CA -0.363 52.679 53.050 -0.014 0.000 0.937 96 N CB 2.087 40.435 38.487 -0.231 0.000 1.122 96 N HN 0.437 nan 8.380 nan 0.000 0.499 97 I N 1.407 121.997 120.570 0.033 0.000 2.337 97 I HA 0.093 4.261 4.170 -0.002 0.000 0.291 97 I C 1.130 177.267 176.117 0.033 0.000 1.046 97 I CA -0.121 61.203 61.300 0.039 0.000 1.324 97 I CB 0.551 38.517 38.000 -0.057 0.000 1.409 97 I HN 0.388 nan 8.210 nan 0.000 0.494 98 D N 5.263 125.701 120.400 0.062 0.000 2.446 98 D HA 0.095 4.733 4.640 -0.002 0.000 0.288 98 D C 0.086 176.339 176.300 -0.078 0.000 1.195 98 D CA -0.435 53.514 54.000 -0.086 0.000 1.095 98 D CB 0.749 41.490 40.800 -0.099 0.000 1.153 98 D HN 0.508 nan 8.370 nan 0.000 0.568 99 E N -1.207 118.672 120.200 -0.536 0.000 2.413 99 E HA 0.233 4.582 4.350 -0.002 0.000 0.263 99 E C 0.117 176.860 176.600 0.237 0.000 1.015 99 E CA 0.705 56.981 56.400 -0.205 0.000 0.916 99 E CB 0.492 29.984 29.700 -0.347 0.000 0.947 99 E HN 0.657 nan 8.360 nan 0.000 0.440 100 G N 4.383 113.339 108.800 0.259 0.000 2.260 100 G HA2 -0.187 3.772 3.960 -0.002 0.000 0.179 100 G HA3 -0.187 3.772 3.960 -0.002 0.000 0.179 100 G C 0.531 175.660 174.900 0.381 0.000 1.002 100 G CA 0.187 45.455 45.100 0.279 0.000 0.677 100 G HN 0.704 nan 8.290 nan 0.000 0.486 101 W N -0.668 120.839 121.300 0.346 0.000 2.770 101 W HA 0.533 5.191 4.660 -0.003 0.000 0.256 101 W C 0.236 176.943 176.519 0.314 0.000 1.291 101 W CA 0.445 57.986 57.345 0.328 0.000 1.396 101 W CB -0.133 29.215 29.460 -0.186 0.000 1.114 101 W HN 0.292 nan 8.180 nan 0.000 0.637 102 W N 3.413 124.262 121.300 -0.752 0.000 2.715 102 W HA 0.348 5.006 4.660 -0.003 0.000 0.331 102 W C 0.357 176.656 176.519 -0.367 0.000 1.031 102 W CA -1.485 55.375 57.345 -0.807 0.000 1.237 102 W CB 1.189 29.598 29.460 -1.751 0.000 1.378 102 W HN -0.280 nan 8.180 nan 0.000 0.454 103 Q N 3.750 123.390 119.800 -0.267 0.000 2.246 103 Q HA 0.266 4.604 4.340 -0.002 0.000 0.202 103 Q C 1.389 177.032 176.000 -0.594 0.000 0.883 103 Q CA 0.649 56.254 55.803 -0.330 0.000 0.952 103 Q CB 0.519 29.205 28.738 -0.086 0.000 1.078 103 Q HN 1.046 nan 8.270 nan 0.000 0.493 104 G N 0.994 108.974 108.800 -1.366 0.000 2.175 104 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.244 104 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.244 104 G C 0.406 175.097 174.900 -0.348 0.000 0.982 104 G CA 0.374 44.734 45.100 -1.234 0.000 0.641 104 G HN 0.432 nan 8.290 nan 0.000 0.527 105 T N -0.973 113.593 114.554 0.021 0.000 2.897 105 T HA 0.733 5.082 4.350 -0.002 0.000 0.294 105 T C 0.187 175.104 174.700 0.361 0.000 1.004 105 T CA -0.241 61.970 62.100 0.185 0.000 1.106 105 T CB 2.106 71.071 68.868 0.162 0.000 0.949 105 T HN 0.552 nan 8.240 nan 0.000 0.520 106 R N 1.243 121.856 120.500 0.188 0.000 2.808 106 R HA 0.470 4.808 4.340 -0.002 0.000 0.272 106 R C -0.653 175.699 176.300 0.088 0.000 0.995 106 R CA -1.026 55.154 56.100 0.133 0.000 0.917 106 R CB 1.421 31.752 30.300 0.052 0.000 1.217 106 R HN 0.877 nan 8.270 nan 0.000 0.471 107 D N -0.156 120.287 120.400 0.072 0.000 2.414 107 D HA -0.029 4.610 4.640 -0.002 0.000 0.259 107 D C 0.929 177.256 176.300 0.045 0.000 1.269 107 D CA -0.371 53.665 54.000 0.059 0.000 1.028 107 D CB 0.314 41.150 40.800 0.060 0.000 1.093 107 D HN 0.422 nan 8.370 nan 0.000 0.545 108 S N -1.614 114.110 115.700 0.039 0.000 2.447 108 S HA -0.034 4.435 4.470 -0.002 0.000 0.233 108 S C 1.711 176.331 174.600 0.034 0.000 1.006 108 S CA 0.505 58.725 58.200 0.033 0.000 0.957 108 S CB -0.658 62.558 63.200 0.027 0.000 0.773 108 S HN 0.657 nan 8.310 nan 0.000 0.507 109 A N 0.448 123.287 122.820 0.032 0.000 2.275 109 A HA 0.614 4.933 4.320 -0.002 0.000 0.212 109 A C 1.694 179.306 177.584 0.045 0.000 1.201 109 A CA 0.401 52.455 52.037 0.029 0.000 0.843 109 A CB -0.919 18.091 19.000 0.016 0.000 0.873 109 A HN 1.458 nan 8.150 nan 0.000 0.492 110 G N -0.342 108.490 108.800 0.052 0.000 2.176 110 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.253 110 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.253 110 G C -0.118 174.753 174.900 -0.049 0.000 0.979 110 G CA 0.007 45.142 45.100 0.058 0.000 0.641 110 G HN 0.499 nan 8.290 nan 0.000 0.530 111 N N 0.714 119.395 118.700 -0.031 0.000 2.497 111 N HA 0.287 5.026 4.740 -0.002 0.000 0.268 111 N C 0.956 176.438 175.510 -0.046 0.000 1.171 111 N CA -0.029 52.978 53.050 -0.072 0.000 0.948 111 N CB 0.860 39.324 38.487 -0.039 0.000 1.069 111 N HN 0.367 nan 8.380 nan 0.000 0.460 112 I N 1.564 122.059 120.570 -0.125 0.000 2.752 112 I HA -0.121 4.047 4.170 -0.002 0.000 0.289 112 I C 1.020 177.225 176.117 0.147 0.000 1.197 112 I CA 0.585 61.828 61.300 -0.094 0.000 1.432 112 I CB -0.017 37.765 38.000 -0.363 0.000 1.359 112 I HN 0.480 nan 8.210 nan 0.000 0.571 113 T N 4.211 118.893 114.554 0.213 0.000 2.856 113 T HA 0.714 5.062 4.350 -0.002 0.000 0.283 113 T C -0.324 174.558 174.700 0.303 0.000 1.008 113 T CA -0.833 61.421 62.100 0.257 0.000 0.997 113 T CB 1.858 70.850 68.868 0.206 0.000 0.992 113 T HN 0.428 nan 8.240 nan 0.000 0.454 114 V N -0.917 119.164 119.914 0.278 0.000 3.019 114 V HA 0.707 4.826 4.120 -0.002 0.000 0.317 114 V C -0.709 175.555 176.094 0.283 0.000 1.094 114 V CA -1.103 61.377 62.300 0.301 0.000 1.000 114 V CB 1.804 33.775 31.823 0.246 0.000 1.060 114 V HN 0.924 nan 8.190 nan 0.000 0.443 115 D N 1.991 122.594 120.400 0.338 0.000 2.352 115 D HA 0.223 4.861 4.640 -0.002 0.000 0.245 115 D C 1.412 177.879 176.300 0.278 0.000 1.224 115 D CA 0.567 54.725 54.000 0.262 0.000 0.879 115 D CB 1.478 42.416 40.800 0.231 0.000 1.057 115 D HN 0.953 nan 8.370 nan 0.000 0.491 116 T N 1.064 115.731 114.554 0.189 0.000 3.072 116 T HA 0.012 4.360 4.350 -0.002 0.000 0.266 116 T C 1.773 176.513 174.700 0.067 0.000 1.127 116 T CA 0.632 62.821 62.100 0.148 0.000 1.107 116 T CB -0.000 68.926 68.868 0.097 0.000 0.910 116 T HN 0.284 nan 8.240 nan 0.000 0.513 117 A N 2.267 125.118 122.820 0.052 0.000 1.902 117 A HA -0.091 4.228 4.320 -0.002 0.000 0.217 117 A C 2.350 179.894 177.584 -0.066 0.000 1.181 117 A CA 1.446 53.480 52.037 -0.005 0.000 0.623 117 A CB -0.452 18.552 19.000 0.006 0.000 0.818 117 A HN 0.670 nan 8.150 nan 0.000 0.443 118 E N -2.429 117.724 120.200 -0.077 0.000 2.250 118 E HA -0.081 4.268 4.350 -0.002 0.000 0.192 118 E C -0.350 175.881 176.600 -0.616 0.000 0.986 118 E CA 0.382 56.578 56.400 -0.339 0.000 0.849 118 E CB 0.026 29.526 29.700 -0.334 0.000 0.797 118 E HN 0.831 nan 8.360 nan 0.000 0.482 119 W N 2.726 124.064 121.300 0.064 0.000 2.148 119 W HA 0.271 4.929 4.660 -0.003 0.000 0.288 119 W C -2.435 174.053 176.519 -0.052 0.000 0.920 119 W CA -2.173 55.204 57.345 0.053 0.000 1.904 119 W CB 0.854 30.367 29.460 0.088 0.000 2.083 119 W HN -0.154 nan 8.180 nan 0.000 0.398 120 P HA 0.098 nan 4.420 nan 0.000 0.268 120 P C 1.042 178.270 177.300 -0.119 0.000 1.204 120 P CA 1.176 64.203 63.100 -0.122 0.000 0.768 120 P CB 1.302 32.845 31.700 -0.263 0.000 0.842 121 G N 1.794 110.565 108.800 -0.048 0.000 2.179 121 G HA2 -0.028 3.931 3.960 -0.002 0.000 0.260 121 G HA3 -0.028 3.931 3.960 -0.002 0.000 0.260 121 G C 0.560 175.459 174.900 -0.002 0.000 0.977 121 G CA 0.374 45.458 45.100 -0.027 0.000 0.641 121 G HN 1.025 nan 8.290 nan 0.000 0.533 122 G N -1.411 107.403 108.800 0.023 0.000 2.782 122 G HA2 0.031 3.990 3.960 -0.002 0.000 0.228 122 G HA3 0.031 3.990 3.960 -0.002 0.000 0.228 122 G C 0.793 175.587 174.900 -0.177 0.000 1.372 122 G CA 0.434 45.508 45.100 -0.043 0.000 0.862 122 G HN 0.841 nan 8.290 nan 0.000 0.547 123 M N 1.037 120.278 119.600 -0.598 0.000 2.374 123 M HA -0.036 4.443 4.480 -0.002 0.000 0.264 123 M C 2.848 178.824 176.300 -0.539 0.000 1.067 123 M CA 2.254 57.109 55.300 -0.741 0.000 1.103 123 M CB -1.669 30.107 32.600 -1.372 0.000 1.402 123 M HN 1.174 nan 8.290 nan 0.000 0.444 124 S N 0.489 115.920 115.700 -0.448 0.000 2.447 124 S HA 0.009 4.478 4.470 -0.002 0.000 0.233 124 S C 2.044 176.591 174.600 -0.089 0.000 1.006 124 S CA 0.922 59.021 58.200 -0.168 0.000 0.957 124 S CB -0.449 62.777 63.200 0.043 0.000 0.773 124 S HN 0.423 nan 8.310 nan 0.000 0.507 125 A N 1.454 124.253 122.820 -0.036 0.000 1.897 125 A HA 0.147 4.466 4.320 -0.002 0.000 0.215 125 A C 2.125 179.832 177.584 0.205 0.000 1.181 125 A CA 1.285 53.370 52.037 0.080 0.000 0.620 125 A CB -0.689 18.343 19.000 0.053 0.000 0.821 125 A HN 0.555 nan 8.150 nan 0.000 0.443 126 I N 0.451 121.132 120.570 0.186 0.000 2.406 126 I HA -0.140 4.029 4.170 -0.002 0.000 0.249 126 I C 2.604 178.658 176.117 -0.105 0.000 1.122 126 I CA 2.219 63.602 61.300 0.138 0.000 1.431 126 I CB -0.396 37.727 38.000 0.205 0.000 1.087 126 I HN 0.479 nan 8.210 nan 0.000 0.424 127 T N -1.259 113.094 114.554 -0.335 0.000 2.821 127 T HA -0.070 4.278 4.350 -0.002 0.000 0.267 127 T C 2.038 176.436 174.700 -0.503 0.000 1.046 127 T CA 0.991 62.721 62.100 -0.617 0.000 1.139 127 T CB -0.960 67.415 68.868 -0.821 0.000 0.871 127 T HN 0.286 nan 8.240 nan 0.000 0.454 128 A N 0.535 123.248 122.820 -0.177 0.000 1.883 128 A HA -0.042 4.277 4.320 -0.002 0.000 0.217 128 A C 2.187 179.766 177.584 -0.008 0.000 1.186 128 A CA 1.679 53.701 52.037 -0.025 0.000 0.624 128 A CB -1.351 17.678 19.000 0.048 0.000 0.822 128 A HN 0.617 nan 8.150 nan 0.000 0.444 129 Y N 0.313 120.569 120.300 -0.073 0.000 2.145 129 Y HA -0.194 4.354 4.550 -0.003 0.000 0.286 129 Y C 2.109 177.934 175.900 -0.125 0.000 1.145 129 Y CA 1.901 59.962 58.100 -0.066 0.000 1.148 129 Y CB -0.265 38.158 38.460 -0.062 0.000 0.981 129 Y HN 0.275 nan 8.280 nan 0.000 0.507 130 I N -0.565 119.961 120.570 -0.074 0.000 2.127 130 I HA -0.425 3.744 4.170 -0.002 0.000 0.241 130 I C 2.229 178.251 176.117 -0.158 0.000 1.075 130 I CA 2.095 63.295 61.300 -0.166 0.000 1.334 130 I CB -0.660 37.209 38.000 -0.219 0.000 1.040 130 I HN 0.338 nan 8.210 nan 0.000 0.405 131 H N -0.181 118.813 119.070 -0.127 0.000 2.387 131 H HA -0.153 4.401 4.556 -0.003 0.000 0.299 131 H C 2.518 177.762 175.328 -0.141 0.000 1.090 131 H CA 1.347 57.323 56.048 -0.120 0.000 1.332 131 H CB -0.047 29.662 29.762 -0.088 0.000 1.386 131 H HN 0.406 nan 8.280 nan 0.000 0.516 132 S N 0.656 116.315 115.700 -0.069 0.000 2.423 132 S HA -0.084 4.384 4.470 -0.002 0.000 0.231 132 S C 1.624 176.109 174.600 -0.193 0.000 1.014 132 S CA 0.793 58.908 58.200 -0.142 0.000 0.965 132 S CB 0.091 63.167 63.200 -0.205 0.000 0.785 132 S HN 0.203 nan 8.310 nan 0.000 0.495 133 K N 0.982 121.235 120.400 -0.246 0.000 2.417 133 K HA 0.281 4.600 4.320 -0.002 0.000 0.196 133 K C 1.247 177.780 176.600 -0.111 0.000 1.023 133 K CA 0.548 56.712 56.287 -0.206 0.000 1.122 133 K CB -0.278 32.066 32.500 -0.261 0.000 0.850 133 K HN 0.614 nan 8.250 nan 0.000 0.521 134 G N 1.231 109.982 108.800 -0.082 0.000 2.132 134 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.234 134 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.234 134 G C 0.003 174.873 174.900 -0.050 0.000 0.989 134 G CA 0.059 45.130 45.100 -0.049 0.000 0.676 134 G HN 0.228 nan 8.290 nan 0.000 0.522 135 L N -1.251 119.933 121.223 -0.065 0.000 2.271 135 L HA 0.738 5.077 4.340 -0.002 0.000 0.265 135 L C 0.505 177.360 176.870 -0.024 0.000 1.013 135 L CA -1.279 53.497 54.840 -0.107 0.000 0.820 135 L CB 1.508 43.420 42.059 -0.244 0.000 1.352 135 L HN -0.034 nan 8.230 nan 0.000 0.443 136 K N 0.260 120.587 120.400 -0.122 0.000 2.208 136 K HA 0.770 5.089 4.320 -0.002 0.000 0.247 136 K C -0.997 175.638 176.600 0.058 0.000 0.953 136 K CA -0.676 55.596 56.287 -0.025 0.000 0.837 136 K CB 2.133 34.437 32.500 -0.326 0.000 1.131 136 K HN 0.631 nan 8.250 nan 0.000 0.431 137 A N 0.948 123.883 122.820 0.191 0.000 2.330 137 A HA 0.731 5.049 4.320 -0.002 0.000 0.327 137 A C -0.354 177.537 177.584 0.512 0.000 1.155 137 A CA -0.573 51.581 52.037 0.195 0.000 0.803 137 A CB 1.361 20.269 19.000 -0.154 0.000 1.208 137 A HN 0.739 nan 8.150 nan 0.000 0.477 138 G N 0.342 109.403 108.800 0.435 0.000 2.453 138 G HA2 0.620 4.578 3.960 -0.002 0.000 0.323 138 G HA3 0.620 4.578 3.960 -0.002 0.000 0.323 138 G C -1.148 173.744 174.900 -0.013 0.000 1.198 138 G CA -0.296 45.013 45.100 0.349 0.000 0.959 138 G HN 0.722 nan 8.290 nan 0.000 0.482 139 I N -0.433 119.925 120.570 -0.353 0.000 3.322 139 I HA 0.828 4.996 4.170 -0.002 0.000 0.313 139 I C -1.813 174.101 176.117 -0.340 0.000 1.129 139 I CA -1.728 59.027 61.300 -0.909 0.000 0.963 139 I CB 2.429 39.093 38.000 -2.227 0.000 1.273 139 I HN 0.522 nan 8.210 nan 0.000 0.473 140 Y N 1.515 121.592 120.300 -0.372 0.000 2.441 140 Y HA 0.635 5.183 4.550 -0.002 0.000 0.334 140 Y C -0.835 175.270 175.900 0.342 0.000 1.061 140 Y CA -0.103 58.045 58.100 0.081 0.000 1.032 140 Y CB 1.566 40.155 38.460 0.214 0.000 1.266 140 Y HN 0.722 nan 8.280 nan 0.000 0.441 141 T N 3.551 117.915 114.554 -0.316 0.000 2.647 141 T HA 0.331 4.680 4.350 -0.002 0.000 0.295 141 T C -2.222 172.332 174.700 -0.243 0.000 1.126 141 T CA -0.581 61.493 62.100 -0.043 0.000 1.040 141 T CB 1.612 70.721 68.868 0.401 0.000 1.472 141 T HN 0.744 nan 8.240 nan 0.000 0.500 142 D N -0.431 120.002 120.400 0.054 0.000 2.433 142 D HA 0.604 5.242 4.640 -0.002 0.000 0.236 142 D C 0.762 177.150 176.300 0.145 0.000 1.026 142 D CA -0.246 53.797 54.000 0.073 0.000 0.884 142 D CB 2.291 43.161 40.800 0.116 0.000 1.384 142 D HN 0.609 nan 8.370 nan 0.000 0.477 143 A N 2.233 125.116 122.820 0.106 0.000 2.015 143 A HA 0.155 4.474 4.320 -0.002 0.000 0.219 143 A C 1.174 178.841 177.584 0.137 0.000 1.163 143 A CA 1.403 53.493 52.037 0.087 0.000 0.646 143 A CB -0.378 18.599 19.000 -0.038 0.000 0.806 143 A HN 0.504 nan 8.150 nan 0.000 0.448 144 G N -1.549 107.266 108.800 0.024 0.000 2.532 144 G HA2 0.394 4.352 3.960 -0.002 0.000 0.291 144 G HA3 0.394 4.352 3.960 -0.002 0.000 0.291 144 G C 0.554 175.480 174.900 0.043 0.000 1.349 144 G CA -0.285 44.803 45.100 -0.020 0.000 1.038 144 G HN 0.236 nan 8.290 nan 0.000 0.518 145 K N -0.594 119.810 120.400 0.007 0.000 2.288 145 K HA 0.047 4.365 4.320 -0.002 0.000 0.201 145 K C -0.365 176.201 176.600 -0.056 0.000 1.048 145 K CA 0.939 57.219 56.287 -0.011 0.000 0.956 145 K CB 0.033 32.504 32.500 -0.049 0.000 0.746 145 K HN 0.490 nan 8.250 nan 0.000 0.461 146 D N -1.271 119.115 120.400 -0.023 0.000 2.645 146 D HA 0.341 4.979 4.640 -0.002 0.000 0.228 146 D C -0.425 175.953 176.300 0.129 0.000 1.148 146 D CA -0.661 53.271 54.000 -0.114 0.000 0.860 146 D CB 1.953 42.472 40.800 -0.468 0.000 1.548 146 D HN 0.045 nan 8.370 nan 0.000 0.460 147 G N -0.807 108.046 108.800 0.087 0.000 2.753 147 G HA2 0.323 4.281 3.960 -0.002 0.000 0.285 147 G HA3 0.323 4.281 3.960 -0.002 0.000 0.285 147 G C 0.702 175.816 174.900 0.358 0.000 1.344 147 G CA -0.575 44.656 45.100 0.218 0.000 1.050 147 G HN 0.714 nan 8.290 nan 0.000 0.532 148 c N -0.358 118.481 118.600 0.398 0.000 2.432 148 c HA 0.070 4.639 4.570 -0.002 0.000 0.282 148 c C 2.893 177.172 174.090 0.315 0.000 1.388 148 c CA 0.805 57.402 56.329 0.447 0.000 1.777 148 c CB -1.009 41.748 42.510 0.411 0.000 1.882 148 c HN 0.836 nan 8.230 nan 0.000 0.520 149 G N -1.501 107.435 108.800 0.227 0.000 2.559 149 G HA2 -0.183 3.775 3.960 -0.002 0.000 0.216 149 G HA3 -0.183 3.775 3.960 -0.002 0.000 0.216 149 G C 1.226 176.172 174.900 0.076 0.000 1.126 149 G CA 0.639 45.822 45.100 0.140 0.000 0.778 149 G HN 0.623 nan 8.290 nan 0.000 0.543 150 Y N -0.450 119.794 120.300 -0.093 0.000 2.314 150 Y HA 0.214 4.763 4.550 -0.002 0.000 0.294 150 Y C 2.338 178.053 175.900 -0.309 0.000 1.139 150 Y CA 0.531 58.470 58.100 -0.268 0.000 1.162 150 Y CB 0.049 38.232 38.460 -0.462 0.000 1.121 150 Y HN 0.132 nan 8.280 nan 0.000 0.529 151 Y N -1.093 119.100 120.300 -0.179 0.000 2.314 151 Y HA -0.085 4.463 4.550 -0.002 0.000 0.293 151 Y C 0.171 175.657 175.900 -0.690 0.000 1.129 151 Y CA 1.360 59.151 58.100 -0.515 0.000 1.201 151 Y CB -0.235 37.956 38.460 -0.449 0.000 0.999 151 Y HN 0.079 nan 8.280 nan 0.000 0.541 152 Y N -0.691 119.678 120.300 0.115 0.000 2.511 152 Y HA 0.388 4.937 4.550 -0.002 0.000 0.356 152 Y C -2.629 173.331 175.900 0.100 0.000 1.002 152 Y CA -3.621 54.538 58.100 0.098 0.000 1.127 152 Y CB 0.090 38.631 38.460 0.134 0.000 1.137 152 Y HN -0.143 nan 8.280 nan 0.000 0.652 153 P HA 0.087 nan 4.420 nan 0.000 0.263 153 P C -0.149 177.256 177.300 0.175 0.000 1.195 153 P CA 0.496 63.669 63.100 0.120 0.000 0.762 153 P CB 0.722 32.440 31.700 0.030 0.000 0.799 154 T N 2.503 117.179 114.554 0.203 0.000 3.198 154 T HA 0.507 4.855 4.350 -0.002 0.000 0.352 154 T C 0.791 175.538 174.700 0.079 0.000 1.197 154 T CA 0.113 62.330 62.100 0.195 0.000 1.427 154 T CB 0.614 69.676 68.868 0.323 0.000 0.983 154 T HN 0.626 nan 8.240 nan 0.000 0.560 155 G N 2.659 111.506 108.800 0.078 0.000 2.218 155 G HA2 -0.166 3.792 3.960 -0.002 0.000 0.216 155 G HA3 -0.166 3.792 3.960 -0.002 0.000 0.216 155 G C 0.064 174.999 174.900 0.058 0.000 0.994 155 G CA -0.537 44.590 45.100 0.046 0.000 0.637 155 G HN 0.632 nan 8.290 nan 0.000 0.505 156 R N 0.121 120.662 120.500 0.069 0.000 2.799 156 R HA 0.551 4.890 4.340 -0.002 0.000 0.270 156 R C -2.752 173.575 176.300 0.046 0.000 1.010 156 R CA -1.753 54.383 56.100 0.059 0.000 0.916 156 R CB 1.628 31.970 30.300 0.070 0.000 1.228 156 R HN 0.043 nan 8.270 nan 0.000 0.469 157 P HA 0.059 nan 4.420 nan 0.000 0.270 157 P C -0.860 176.442 177.300 0.003 0.000 1.223 157 P CA -0.254 62.854 63.100 0.013 0.000 0.785 157 P CB 0.431 32.137 31.700 0.010 0.000 0.923 158 A N 1.659 124.464 122.820 -0.024 0.000 2.565 158 A HA 0.359 4.678 4.320 -0.002 0.000 0.237 158 A C 0.528 178.121 177.584 0.015 0.000 1.053 158 A CA 0.506 52.518 52.037 -0.041 0.000 0.755 158 A CB -0.672 18.250 19.000 -0.131 0.000 0.980 158 A HN 0.556 nan 8.150 nan 0.000 0.506 159 A N 5.141 127.980 122.820 0.031 0.000 2.786 159 A HA 0.618 4.937 4.320 -0.002 0.000 0.346 159 A C -2.477 175.040 177.584 -0.112 0.000 1.265 159 A CA -1.623 50.373 52.037 -0.068 0.000 0.858 159 A CB 0.047 18.952 19.000 -0.158 0.000 1.118 159 A HN 0.644 nan 8.150 nan 0.000 0.482 160 P HA 0.221 nan 4.420 nan 0.000 0.268 160 P C 0.968 178.009 177.300 -0.431 0.000 1.204 160 P CA 1.678 64.526 63.100 -0.420 0.000 0.768 160 P CB 0.997 32.503 31.700 -0.323 0.000 0.842 161 G N 2.336 110.842 108.800 -0.490 0.000 2.175 161 G HA2 -0.253 3.705 3.960 -0.002 0.000 0.244 161 G HA3 -0.253 3.705 3.960 -0.002 0.000 0.244 161 G C 0.457 175.018 174.900 -0.565 0.000 0.982 161 G CA 0.267 45.132 45.100 -0.391 0.000 0.641 161 G HN 0.685 nan 8.290 nan 0.000 0.527 162 S N 0.063 115.345 115.700 -0.696 0.000 3.122 162 S HA 0.596 5.064 4.470 -0.002 0.000 0.249 162 S C 0.817 175.203 174.600 -0.358 0.000 1.334 162 S CA 0.549 58.107 58.200 -1.070 0.000 1.251 162 S CB 0.662 63.410 63.200 -0.752 0.000 1.034 162 S HN 1.663 nan 8.310 nan 0.000 0.478 163 G N -0.481 108.277 108.800 -0.070 0.000 2.680 163 G HA2 0.534 4.493 3.960 -0.002 0.000 0.290 163 G HA3 0.534 4.493 3.960 -0.002 0.000 0.290 163 G C -0.086 175.034 174.900 0.367 0.000 1.355 163 G CA -0.800 44.428 45.100 0.214 0.000 0.903 163 G HN 0.192 nan 8.290 nan 0.000 0.474 164 S N -0.827 115.087 115.700 0.356 0.000 2.540 164 S HA 0.132 4.600 4.470 -0.002 0.000 0.218 164 S C 0.715 175.443 174.600 0.214 0.000 0.977 164 S CA -0.282 58.131 58.200 0.354 0.000 0.918 164 S CB 0.054 63.499 63.200 0.408 0.000 0.806 164 S HN 0.660 nan 8.310 nan 0.000 0.496 165 E N 1.019 121.277 120.200 0.096 0.000 2.465 165 E HA 0.243 4.591 4.350 -0.002 0.000 0.260 165 E C 1.124 177.566 176.600 -0.264 0.000 0.980 165 E CA 0.796 57.032 56.400 -0.273 0.000 0.927 165 E CB 0.051 29.681 29.700 -0.117 0.000 0.934 165 E HN 0.365 nan 8.360 nan 0.000 0.459 166 G N 4.612 113.085 108.800 -0.545 0.000 2.179 166 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.260 166 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.260 166 G C 0.419 174.938 174.900 -0.634 0.000 0.977 166 G CA 0.409 45.222 45.100 -0.479 0.000 0.641 166 G HN 0.768 nan 8.290 nan 0.000 0.533 167 H N -1.542 117.363 119.070 -0.274 0.000 2.904 167 H HA 0.238 4.793 4.556 -0.002 0.000 0.242 167 H C 1.277 176.566 175.328 -0.064 0.000 1.193 167 H CA -0.270 55.693 56.048 -0.142 0.000 0.946 167 H CB 0.237 29.949 29.762 -0.083 0.000 2.135 167 H HN 0.320 nan 8.280 nan 0.000 0.652 168 Y N 1.557 121.852 120.300 -0.007 0.000 2.097 168 Y HA -0.203 4.345 4.550 -0.002 0.000 0.282 168 Y C 2.240 178.095 175.900 -0.075 0.000 1.152 168 Y CA 0.745 58.826 58.100 -0.032 0.000 1.136 168 Y CB -0.349 38.093 38.460 -0.030 0.000 0.975 168 Y HN 0.243 nan 8.280 nan 0.000 0.498 169 D N -0.295 120.161 120.400 0.092 0.000 2.117 169 D HA -0.210 4.429 4.640 -0.002 0.000 0.197 169 D C 2.162 178.422 176.300 -0.067 0.000 0.987 169 D CA 1.429 55.432 54.000 0.004 0.000 0.829 169 D CB -0.212 40.584 40.800 -0.007 0.000 0.961 169 D HN 0.470 nan 8.370 nan 0.000 0.460 170 Q N 0.550 120.308 119.800 -0.070 0.000 2.020 170 Q HA -0.171 4.168 4.340 -0.002 0.000 0.202 170 Q C 1.448 177.286 176.000 -0.270 0.000 0.982 170 Q CA 1.590 57.321 55.803 -0.120 0.000 0.838 170 Q CB 0.203 28.922 28.738 -0.032 0.000 0.899 170 Q HN 0.091 nan 8.270 nan 0.000 0.423 171 D N -0.221 119.992 120.400 -0.311 0.000 2.097 171 D HA -0.141 4.497 4.640 -0.002 0.000 0.197 171 D C 1.922 177.582 176.300 -1.067 0.000 0.984 171 D CA 1.044 54.608 54.000 -0.726 0.000 0.826 171 D CB -0.116 40.352 40.800 -0.553 0.000 0.973 171 D HN 0.283 nan 8.370 nan 0.000 0.460 172 M N 0.200 119.495 119.600 -0.509 0.000 2.149 172 M HA -0.092 4.387 4.480 -0.002 0.000 0.261 172 M C 2.197 178.376 176.300 -0.203 0.000 1.064 172 M CA 0.743 55.893 55.300 -0.251 0.000 1.102 172 M CB -0.979 31.599 32.600 -0.036 0.000 1.369 172 M HN 0.091 nan 8.290 nan 0.000 0.408 173 L N 0.530 121.619 121.223 -0.223 0.000 2.046 173 L HA -0.192 4.147 4.340 -0.002 0.000 0.208 173 L C 2.479 179.200 176.870 -0.248 0.000 1.077 173 L CA 1.945 56.684 54.840 -0.168 0.000 0.747 173 L CB -0.989 40.984 42.059 -0.143 0.000 0.896 173 L HN 0.292 nan 8.230 nan 0.000 0.432 174 Q N -0.791 118.734 119.800 -0.458 0.000 2.050 174 Q HA -0.208 4.130 4.340 -0.002 0.000 0.202 174 Q C 1.992 177.667 176.000 -0.541 0.000 0.980 174 Q CA 2.150 57.537 55.803 -0.694 0.000 0.840 174 Q CB -0.462 27.692 28.738 -0.973 0.000 0.898 174 Q HN 0.497 nan 8.270 nan 0.000 0.424 175 F N -0.239 119.566 119.950 -0.242 0.000 2.095 175 F HA -0.125 4.401 4.527 -0.002 0.000 0.298 175 F C 2.739 178.698 175.800 0.265 0.000 1.104 175 F CA 1.300 59.379 58.000 0.132 0.000 1.232 175 F CB -1.484 37.558 39.000 0.069 0.000 0.987 175 F HN 0.131 nan 8.300 nan 0.000 0.475 176 S N -0.685 115.188 115.700 0.289 0.000 2.368 176 S HA -0.167 4.302 4.470 -0.002 0.000 0.225 176 S C 2.148 176.846 174.600 0.164 0.000 1.030 176 S CA 1.918 60.250 58.200 0.219 0.000 0.999 176 S CB -0.513 62.762 63.200 0.124 0.000 0.844 176 S HN 0.409 nan 8.310 nan 0.000 0.459 177 T N 0.787 115.379 114.554 0.063 0.000 2.746 177 T HA -0.095 4.253 4.350 -0.002 0.000 0.267 177 T C 1.211 176.004 174.700 0.156 0.000 1.039 177 T CA 1.152 63.274 62.100 0.036 0.000 1.142 177 T CB -0.351 68.464 68.868 -0.089 0.000 0.866 177 T HN 0.529 nan 8.240 nan 0.000 0.444 178 W N 0.888 122.254 121.300 0.110 0.000 2.468 178 W HA 0.213 4.871 4.660 -0.002 0.000 0.262 178 W C 1.952 178.420 176.519 -0.084 0.000 1.241 178 W CA 0.906 58.277 57.345 0.044 0.000 1.232 178 W CB -1.041 28.502 29.460 0.138 0.000 1.124 178 W HN 0.518 nan 8.180 nan 0.000 0.597 179 G N -2.064 106.861 108.800 0.209 0.000 2.168 179 G HA2 -0.236 3.722 3.960 -0.002 0.000 0.197 179 G HA3 -0.236 3.722 3.960 -0.002 0.000 0.197 179 G C -0.113 174.849 174.900 0.103 0.000 0.997 179 G CA -0.735 44.455 45.100 0.150 0.000 0.658 179 G HN 0.004 nan 8.290 nan 0.000 0.513 180 F N 1.564 121.664 119.950 0.249 0.000 2.471 180 F HA 0.398 4.924 4.527 -0.003 0.000 0.353 180 F C 1.307 177.257 175.800 0.250 0.000 1.113 180 F CA 0.124 58.248 58.000 0.206 0.000 1.262 180 F CB 0.819 39.898 39.000 0.132 0.000 1.146 180 F HN 0.005 nan 8.300 nan 0.000 0.578 181 D N 1.739 122.442 120.400 0.505 0.000 2.407 181 D HA 0.044 4.683 4.640 -0.002 0.000 0.208 181 D C -0.531 176.082 176.300 0.522 0.000 1.083 181 D CA 0.642 54.914 54.000 0.454 0.000 0.844 181 D CB 0.633 41.701 40.800 0.448 0.000 0.967 181 D HN 0.260 nan 8.370 nan 0.000 0.506 182 F N 1.084 121.209 119.950 0.292 0.000 2.628 182 F HA 0.427 4.953 4.527 -0.002 0.000 0.309 182 F C -1.898 173.922 175.800 0.033 0.000 1.108 182 F CA -1.036 57.035 58.000 0.120 0.000 0.971 182 F CB 1.912 40.926 39.000 0.023 0.000 1.279 182 F HN -0.324 nan 8.300 nan 0.000 0.441 183 V N 6.403 126.146 119.914 -0.285 0.000 2.668 183 V HA 0.469 4.588 4.120 -0.002 0.000 0.304 183 V C -1.605 174.321 176.094 -0.280 0.000 1.071 183 V CA -0.610 61.587 62.300 -0.172 0.000 0.894 183 V CB 1.838 33.618 31.823 -0.073 0.000 1.008 183 V HN 0.867 nan 8.190 nan 0.000 0.425 184 K N 5.480 125.873 120.400 -0.011 0.000 2.240 184 K HA 0.719 5.038 4.320 -0.002 0.000 0.271 184 K C -1.549 175.065 176.600 0.023 0.000 1.018 184 K CA -0.515 55.820 56.287 0.080 0.000 0.874 184 K CB 1.728 34.446 32.500 0.364 0.000 1.098 184 K HN 0.566 nan 8.250 nan 0.000 0.458 185 V N 4.668 124.607 119.914 0.042 0.000 2.334 185 V HA 0.128 4.247 4.120 -0.002 0.000 0.281 185 V C -0.011 176.189 176.094 0.175 0.000 1.016 185 V CA -0.873 61.471 62.300 0.074 0.000 0.832 185 V CB 1.103 33.025 31.823 0.165 0.000 0.999 185 V HN 0.860 nan 8.190 nan 0.000 0.439 186 D N 2.376 122.813 120.400 0.061 0.000 2.451 186 D HA 0.199 4.837 4.640 -0.002 0.000 0.259 186 D C 0.016 176.499 176.300 0.305 0.000 1.201 186 D CA -0.441 53.692 54.000 0.220 0.000 1.028 186 D CB 1.601 42.554 40.800 0.256 0.000 1.095 186 D HN 0.654 nan 8.370 nan 0.000 0.539 187 W N 1.024 122.309 121.300 -0.024 0.000 2.499 187 W HA 0.083 4.741 4.660 -0.002 0.000 0.362 187 W C 0.895 177.368 176.519 -0.076 0.000 0.945 187 W CA -0.369 56.811 57.345 -0.276 0.000 1.721 187 W CB 0.105 29.008 29.460 -0.928 0.000 1.156 187 W HN 0.316 nan 8.180 nan 0.000 0.547 188 c N 0.395 119.166 118.600 0.286 0.000 2.429 188 c HA -0.137 4.431 4.570 -0.002 0.000 0.277 188 c C 2.951 176.928 174.090 -0.189 0.000 1.262 188 c CA 2.247 58.764 56.329 0.313 0.000 1.733 188 c CB -1.563 41.270 42.510 0.538 0.000 2.010 188 c HN 0.568 nan 8.230 nan 0.000 0.483 189 G N -0.045 108.696 108.800 -0.097 0.000 2.421 189 G HA2 0.102 4.060 3.960 -0.002 0.000 0.217 189 G HA3 0.102 4.060 3.960 -0.002 0.000 0.217 189 G C 1.775 176.397 174.900 -0.463 0.000 1.143 189 G CA 1.045 46.057 45.100 -0.146 0.000 0.784 189 G HN 0.568 nan 8.290 nan 0.000 0.541 190 G N 0.861 109.155 108.800 -0.843 0.000 2.459 190 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.217 190 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.217 190 G C 1.477 175.531 174.900 -1.410 0.000 1.183 190 G CA 1.436 45.537 45.100 -1.663 0.000 0.776 190 G HN 0.443 nan 8.290 nan 0.000 0.552 191 D N 0.578 120.189 120.400 -1.314 0.000 2.117 191 D HA 0.037 4.675 4.640 -0.002 0.000 0.197 191 D C 2.703 178.836 176.300 -0.277 0.000 0.987 191 D CA 1.456 55.176 54.000 -0.467 0.000 0.829 191 D CB -0.355 40.440 40.800 -0.008 0.000 0.961 191 D HN 0.243 nan 8.370 nan 0.000 0.460 192 A N 0.148 122.724 122.820 -0.408 0.000 1.933 192 A HA -0.128 4.190 4.320 -0.002 0.000 0.218 192 A C 1.960 179.429 177.584 -0.192 0.000 1.175 192 A CA 1.401 53.226 52.037 -0.354 0.000 0.628 192 A CB -0.458 18.111 19.000 -0.718 0.000 0.814 192 A HN 0.331 nan 8.150 nan 0.000 0.444 193 E N -1.374 118.693 120.200 -0.223 0.000 2.479 193 E HA 0.281 4.630 4.350 -0.002 0.000 0.193 193 E C 0.883 177.413 176.600 -0.117 0.000 1.049 193 E CA 0.175 56.490 56.400 -0.142 0.000 0.870 193 E CB -0.027 29.581 29.700 -0.153 0.000 0.944 193 E HN 0.684 nan 8.360 nan 0.000 0.492 194 G N 2.065 110.791 108.800 -0.122 0.000 2.273 194 G HA2 -0.293 3.665 3.960 -0.002 0.000 0.280 194 G HA3 -0.293 3.665 3.960 -0.002 0.000 0.280 194 G C 0.113 174.996 174.900 -0.028 0.000 1.047 194 G CA 0.020 45.093 45.100 -0.044 0.000 0.869 194 G HN 0.157 nan 8.290 nan 0.000 0.502 195 L N -0.439 120.733 121.223 -0.084 0.000 2.436 195 L HA 0.352 4.691 4.340 -0.002 0.000 0.265 195 L C 0.778 177.765 176.870 0.194 0.000 1.168 195 L CA -0.529 54.313 54.840 0.004 0.000 0.815 195 L CB 0.613 42.621 42.059 -0.084 0.000 1.109 195 L HN 0.277 nan 8.230 nan 0.000 0.462 196 D N 0.741 121.202 120.400 0.103 0.000 2.325 196 D HA 0.275 4.913 4.640 -0.002 0.000 0.251 196 D C 0.696 176.975 176.300 -0.035 0.000 1.196 196 D CA 0.112 54.125 54.000 0.021 0.000 0.866 196 D CB 1.693 42.445 40.800 -0.081 0.000 1.101 196 D HN 0.567 nan 8.370 nan 0.000 0.476 197 A N 4.126 126.831 122.820 -0.191 0.000 1.873 197 A HA -0.019 4.300 4.320 -0.002 0.000 0.215 197 A C 2.158 179.139 177.584 -1.004 0.000 1.186 197 A CA 1.626 53.290 52.037 -0.622 0.000 0.616 197 A CB -0.925 17.634 19.000 -0.735 0.000 0.823 197 A HN 0.688 nan 8.150 nan 0.000 0.442 198 A N -0.207 121.753 122.820 -1.433 0.000 1.883 198 A HA -0.134 4.184 4.320 -0.002 0.000 0.217 198 A C 2.445 179.599 177.584 -0.716 0.000 1.186 198 A CA 2.702 53.742 52.037 -1.661 0.000 0.624 198 A CB -1.394 16.737 19.000 -1.448 0.000 0.822 198 A HN 0.752 nan 8.150 nan 0.000 0.444 199 T N -3.792 110.488 114.554 -0.456 0.000 2.942 199 T HA -0.071 4.278 4.350 -0.002 0.000 0.265 199 T C 1.799 176.388 174.700 -0.185 0.000 1.062 199 T CA 1.783 63.733 62.100 -0.250 0.000 1.139 199 T CB -0.782 67.985 68.868 -0.168 0.000 0.883 199 T HN 0.304 nan 8.240 nan 0.000 0.468 200 T N 1.036 115.472 114.554 -0.197 0.000 2.737 200 T HA -0.018 4.331 4.350 -0.002 0.000 0.265 200 T C 1.480 176.013 174.700 -0.278 0.000 1.038 200 T CA 1.301 63.309 62.100 -0.153 0.000 1.144 200 T CB -0.560 68.275 68.868 -0.055 0.000 0.866 200 T HN 0.457 nan 8.240 nan 0.000 0.434 201 Y N 1.258 121.414 120.300 -0.240 0.000 2.373 201 Y HA 0.041 4.590 4.550 -0.002 0.000 0.293 201 Y C 2.392 178.195 175.900 -0.161 0.000 1.129 201 Y CA 0.636 58.619 58.100 -0.195 0.000 1.226 201 Y CB -0.212 38.176 38.460 -0.119 0.000 1.000 201 Y HN 0.024 nan 8.280 nan 0.000 0.549 202 K N 0.151 120.517 120.400 -0.057 0.000 2.026 202 K HA -0.164 4.155 4.320 -0.002 0.000 0.208 202 K C 2.491 179.060 176.600 -0.052 0.000 1.048 202 K CA 1.728 57.983 56.287 -0.054 0.000 0.929 202 K CB -0.724 31.724 32.500 -0.087 0.000 0.713 202 K HN 0.096 nan 8.250 nan 0.000 0.439 203 S N -0.285 115.376 115.700 -0.065 0.000 2.370 203 S HA -0.091 4.377 4.470 -0.002 0.000 0.226 203 S C 1.942 176.479 174.600 -0.106 0.000 1.033 203 S CA 1.491 59.677 58.200 -0.024 0.000 1.011 203 S CB -0.347 62.903 63.200 0.084 0.000 0.852 203 S HN 0.379 nan 8.310 nan 0.000 0.457 204 I N 0.799 121.188 120.570 -0.302 0.000 2.252 204 I HA -0.123 4.045 4.170 -0.002 0.000 0.245 204 I C 2.765 178.799 176.117 -0.139 0.000 1.102 204 I CA 1.311 62.359 61.300 -0.419 0.000 1.385 204 I CB -0.515 37.195 38.000 -0.483 0.000 1.064 204 I HN 0.355 nan 8.210 nan 0.000 0.414 205 S N 0.640 116.309 115.700 -0.052 0.000 2.370 205 S HA -0.238 4.230 4.470 -0.002 0.000 0.226 205 S C 1.734 176.332 174.600 -0.005 0.000 1.033 205 S CA 1.947 60.143 58.200 -0.006 0.000 1.011 205 S CB -0.329 62.880 63.200 0.014 0.000 0.852 205 S HN 0.368 nan 8.310 nan 0.000 0.457 206 D N 1.393 121.787 120.400 -0.011 0.000 2.123 206 D HA -0.029 4.610 4.640 -0.002 0.000 0.196 206 D C 2.251 178.556 176.300 0.008 0.000 0.992 206 D CA 1.408 55.410 54.000 0.003 0.000 0.833 206 D CB -0.739 40.064 40.800 0.004 0.000 0.954 206 D HN 0.509 nan 8.370 nan 0.000 0.455 207 A N 0.563 123.386 122.820 0.005 0.000 1.933 207 A HA -0.128 4.191 4.320 -0.002 0.000 0.218 207 A C 2.540 180.132 177.584 0.012 0.000 1.175 207 A CA 1.132 53.181 52.037 0.019 0.000 0.628 207 A CB -0.731 18.299 19.000 0.050 0.000 0.814 207 A HN 0.142 nan 8.150 nan 0.000 0.444 208 V N -0.031 119.887 119.914 0.007 0.000 2.287 208 V HA -0.221 3.897 4.120 -0.002 0.000 0.248 208 V C 2.836 178.949 176.094 0.032 0.000 1.053 208 V CA 2.099 64.414 62.300 0.026 0.000 1.027 208 V CB -1.455 30.380 31.823 0.021 0.000 0.646 208 V HN 0.614 nan 8.190 nan 0.000 0.447 209 G N -0.451 108.366 108.800 0.028 0.000 2.440 209 G HA2 -0.248 3.711 3.960 -0.002 0.000 0.218 209 G HA3 -0.248 3.711 3.960 -0.002 0.000 0.218 209 G C 1.744 176.661 174.900 0.027 0.000 1.154 209 G CA 0.731 45.851 45.100 0.032 0.000 0.767 209 G HN 0.441 nan 8.290 nan 0.000 0.552 210 R N 0.412 120.923 120.500 0.019 0.000 2.092 210 R HA 0.077 4.415 4.340 -0.002 0.000 0.231 210 R C 3.031 179.338 176.300 0.010 0.000 1.119 210 R CA 0.970 57.078 56.100 0.013 0.000 0.970 210 R CB -0.333 29.971 30.300 0.007 0.000 0.864 210 R HN 0.359 nan 8.270 nan 0.000 0.440 211 A N 1.456 124.283 122.820 0.011 0.000 1.858 211 A HA -0.130 4.189 4.320 -0.002 0.000 0.216 211 A C 2.394 179.996 177.584 0.029 0.000 1.190 211 A CA 1.761 53.804 52.037 0.010 0.000 0.617 211 A CB -0.704 18.304 19.000 0.014 0.000 0.827 211 A HN 0.383 nan 8.150 nan 0.000 0.443 212 A N -0.320 122.526 122.820 0.044 0.000 1.933 212 A HA 0.177 4.496 4.320 -0.002 0.000 0.218 212 A C 2.446 180.054 177.584 0.040 0.000 1.175 212 A CA 2.020 54.089 52.037 0.053 0.000 0.628 212 A CB -0.905 18.132 19.000 0.062 0.000 0.814 212 A HN 1.088 nan 8.150 nan 0.000 0.444 213 A N -1.243 121.596 122.820 0.031 0.000 2.015 213 A HA -0.013 4.305 4.320 -0.002 0.000 0.219 213 A C 2.236 179.831 177.584 0.018 0.000 1.163 213 A CA 2.081 54.133 52.037 0.025 0.000 0.646 213 A CB -0.909 18.105 19.000 0.022 0.000 0.806 213 A HN 0.419 nan 8.150 nan 0.000 0.448 214 T N -0.206 114.356 114.554 0.014 0.000 2.809 214 T HA -0.091 4.258 4.350 -0.002 0.000 0.260 214 T C 2.163 176.869 174.700 0.011 0.000 1.039 214 T CA 2.030 64.134 62.100 0.007 0.000 1.141 214 T CB -0.386 68.479 68.868 -0.004 0.000 0.869 214 T HN 0.783 nan 8.240 nan 0.000 0.437 215 T N -1.305 113.260 114.554 0.019 0.000 3.051 215 T HA 0.350 4.698 4.350 -0.002 0.000 0.255 215 T C 1.869 176.585 174.700 0.027 0.000 1.085 215 T CA 0.902 63.017 62.100 0.024 0.000 1.109 215 T CB -0.223 68.668 68.868 0.037 0.000 0.921 215 T HN 0.513 nan 8.240 nan 0.000 0.488 216 G N 1.745 110.563 108.800 0.030 0.000 2.143 216 G HA2 -0.291 3.667 3.960 -0.002 0.000 0.248 216 G HA3 -0.291 3.667 3.960 -0.002 0.000 0.248 216 G C 0.060 174.981 174.900 0.034 0.000 0.991 216 G CA 0.218 45.335 45.100 0.029 0.000 0.689 216 G HN 0.870 nan 8.290 nan 0.000 0.522 217 R N 0.656 121.185 120.500 0.048 0.000 2.343 217 R HA 0.546 4.884 4.340 -0.002 0.000 0.320 217 R C -2.463 173.887 176.300 0.084 0.000 0.956 217 R CA -2.022 54.114 56.100 0.061 0.000 0.836 217 R CB 1.352 31.697 30.300 0.075 0.000 1.151 217 R HN 0.032 nan 8.270 nan 0.000 0.450 218 P HA -0.039 nan 4.420 nan 0.000 0.267 218 P C -1.335 176.050 177.300 0.142 0.000 1.200 218 P CA -0.211 62.952 63.100 0.106 0.000 0.772 218 P CB 0.516 32.282 31.700 0.110 0.000 0.855 219 L N 2.802 124.101 121.223 0.127 0.000 2.406 219 L HA 0.360 4.698 4.340 -0.002 0.000 0.270 219 L C -0.654 176.261 176.870 0.074 0.000 0.982 219 L CA -0.003 54.917 54.840 0.133 0.000 0.843 219 L CB 1.186 43.319 42.059 0.123 0.000 1.225 219 L HN 0.201 nan 8.230 nan 0.000 0.412 220 T N 5.653 120.239 114.554 0.054 0.000 2.749 220 T HA 0.416 4.765 4.350 -0.002 0.000 0.295 220 T C -0.438 174.049 174.700 -0.354 0.000 0.936 220 T CA -0.036 62.012 62.100 -0.086 0.000 1.060 220 T CB 0.588 69.445 68.868 -0.020 0.000 0.904 220 T HN 0.441 nan 8.240 nan 0.000 0.500 221 L N 4.178 125.251 121.223 -0.250 0.000 2.275 221 L HA 0.577 4.915 4.340 -0.002 0.000 0.288 221 L C 0.175 176.844 176.870 -0.336 0.000 1.046 221 L CA -0.041 54.633 54.840 -0.276 0.000 0.805 221 L CB 1.371 43.374 42.059 -0.093 0.000 1.193 221 L HN 0.555 nan 8.230 nan 0.000 0.426 222 S N 6.277 121.709 115.700 -0.448 0.000 2.438 222 S HA 0.562 5.031 4.470 -0.002 0.000 0.316 222 S C -0.228 174.298 174.600 -0.123 0.000 1.084 222 S CA -0.697 57.357 58.200 -0.244 0.000 1.107 222 S CB 0.120 63.216 63.200 -0.173 0.000 0.981 222 S HN 0.569 nan 8.310 nan 0.000 0.466 223 I N 4.383 124.871 120.570 -0.136 0.000 2.396 223 I HA 0.254 4.423 4.170 -0.002 0.000 0.289 223 I C 0.073 176.059 176.117 -0.218 0.000 1.056 223 I CA -0.355 60.759 61.300 -0.311 0.000 1.365 223 I CB 0.938 38.607 38.000 -0.551 0.000 1.407 223 I HN 0.666 nan 8.210 nan 0.000 0.509 224 C N 8.134 127.345 119.300 -0.149 0.000 2.621 224 C HA 0.355 4.813 4.460 -0.002 0.000 0.272 224 C C 0.754 175.614 174.990 -0.218 0.000 1.119 224 C CA -0.518 58.484 59.018 -0.027 0.000 1.593 224 C CB -1.090 26.751 27.740 0.167 0.000 1.749 224 C HN 0.887 nan 8.230 nan 0.000 0.420 225 N N 2.134 120.556 118.700 -0.463 0.000 2.241 225 N HA 0.068 4.807 4.740 -0.002 0.000 0.238 225 N C 0.356 175.421 175.510 -0.742 0.000 1.244 225 N CA -0.153 52.319 53.050 -0.964 0.000 0.880 225 N CB 0.072 37.948 38.487 -1.018 0.000 1.179 225 N HN 0.816 nan 8.380 nan 0.000 0.513 226 W N -0.043 121.202 121.300 -0.091 0.000 2.829 226 W HA -0.178 4.480 4.660 -0.003 0.000 0.293 226 W C 1.038 177.617 176.519 0.100 0.000 1.133 226 W CA 0.380 57.694 57.345 -0.053 0.000 0.572 226 W CB -2.424 26.888 29.460 -0.247 0.000 2.175 226 W HN 0.514 nan 8.180 nan 0.000 1.311 227 G N -1.749 107.171 108.800 0.200 0.000 2.179 227 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.260 227 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.260 227 G C -0.011 174.983 174.900 0.158 0.000 0.977 227 G CA 0.307 45.526 45.100 0.197 0.000 0.641 227 G HN 0.263 nan 8.290 nan 0.000 0.533 228 Y N 0.658 120.929 120.300 -0.049 0.000 2.425 228 Y HA 0.407 4.955 4.550 -0.003 0.000 0.331 228 Y C 1.722 177.531 175.900 -0.152 0.000 1.157 228 Y CA 0.292 58.377 58.100 -0.024 0.000 1.372 228 Y CB 0.497 39.019 38.460 0.103 0.000 1.253 228 Y HN 0.515 nan 8.280 nan 0.000 0.536 229 Q N 1.175 120.970 119.800 -0.009 0.000 2.480 229 Q HA -0.342 3.996 4.340 -0.002 0.000 0.265 229 Q C -0.601 175.279 176.000 -0.200 0.000 1.072 229 Q CA 0.665 56.438 55.803 -0.049 0.000 1.018 229 Q CB -1.432 27.323 28.738 0.028 0.000 1.433 229 Q HN 0.829 nan 8.270 nan 0.000 0.513 230 N N -1.795 116.519 118.700 -0.643 0.000 2.671 230 N HA -0.162 4.576 4.740 -0.002 0.000 0.261 230 N C -1.900 172.564 175.510 -1.744 0.000 1.053 230 N CA 1.149 53.253 53.050 -1.577 0.000 0.732 230 N CB -0.633 37.194 38.487 -1.100 0.000 0.887 230 N HN 0.355 nan 8.380 nan 0.000 0.546 231 P HA -0.162 nan 4.420 nan 0.000 0.221 231 P C 1.441 177.520 177.300 -2.035 0.000 1.145 231 P CA 1.296 63.053 63.100 -2.238 0.000 0.795 231 P CB -0.246 30.564 31.700 -1.482 0.000 0.775 232 W N 0.713 121.307 121.300 -1.178 0.000 2.387 232 W HA -0.088 4.571 4.660 -0.002 0.000 0.272 232 W C 1.410 177.428 176.519 -0.835 0.000 1.224 232 W CA 0.634 57.402 57.345 -0.961 0.000 1.210 232 W CB -2.312 26.723 29.460 -0.708 0.000 1.125 232 W HN -0.128 nan 8.180 nan 0.000 0.572 233 N N 0.060 118.223 118.700 -0.895 0.000 2.331 233 N HA -0.102 4.637 4.740 -0.002 0.000 0.180 233 N C 1.388 176.648 175.510 -0.416 0.000 1.019 233 N CA 1.843 54.587 53.050 -0.510 0.000 0.881 233 N CB -0.701 37.566 38.487 -0.368 0.000 0.972 233 N HN 0.743 nan 8.380 nan 0.000 0.435 234 W N -2.278 118.676 121.300 -0.577 0.000 2.199 234 W HA 0.524 5.182 4.660 -0.002 0.000 0.264 234 W C 0.988 177.148 176.519 -0.599 0.000 0.923 234 W CA 0.038 57.084 57.345 -0.499 0.000 1.221 234 W CB -0.285 28.935 29.460 -0.400 0.000 0.974 234 W HN -0.104 nan 8.180 nan 0.000 0.562 235 A N 2.161 124.313 122.820 -1.113 0.000 1.968 235 A HA 0.365 4.684 4.320 -0.002 0.000 0.217 235 A C 1.523 178.601 177.584 -0.843 0.000 1.169 235 A CA 1.148 52.593 52.037 -0.986 0.000 0.638 235 A CB -1.088 17.010 19.000 -1.503 0.000 0.812 235 A HN 0.202 nan 8.150 nan 0.000 0.446 236 A N -1.075 121.059 122.820 -1.143 0.000 2.567 236 A HA 0.418 4.737 4.320 -0.002 0.000 0.240 236 A C 1.691 178.721 177.584 -0.923 0.000 1.053 236 A CA 0.802 52.258 52.037 -0.969 0.000 0.755 236 A CB -0.740 17.824 19.000 -0.725 0.000 0.978 236 A HN 2.067 nan 8.150 nan 0.000 0.507 237 G N 1.403 109.380 108.800 -1.372 0.000 2.299 237 G HA2 -0.308 3.650 3.960 -0.002 0.000 0.237 237 G HA3 -0.308 3.650 3.960 -0.002 0.000 0.237 237 G C 0.933 175.697 174.900 -0.226 0.000 1.027 237 G CA 0.762 45.502 45.100 -0.600 0.000 0.619 237 G HN 0.745 nan 8.290 nan 0.000 0.513 238 Q N 0.064 119.738 119.800 -0.210 0.000 2.204 238 Q HA 0.569 4.907 4.340 -0.002 0.000 0.198 238 Q C 1.073 177.081 176.000 0.013 0.000 0.946 238 Q CA 1.199 56.969 55.803 -0.055 0.000 0.859 238 Q CB 0.492 29.224 28.738 -0.012 0.000 0.946 238 Q HN 1.196 nan 8.270 nan 0.000 0.474 239 A N 0.007 122.854 122.820 0.044 0.000 2.604 239 A HA 0.413 4.732 4.320 -0.002 0.000 0.295 239 A C -2.478 175.288 177.584 0.304 0.000 1.067 239 A CA -1.124 50.992 52.037 0.132 0.000 0.683 239 A CB 0.845 19.884 19.000 0.065 0.000 1.281 239 A HN -0.189 nan 8.150 nan 0.000 0.407 240 P HA 0.109 nan 4.420 nan 0.000 0.226 240 P C -0.068 177.336 177.300 0.173 0.000 1.153 240 P CA 0.942 64.208 63.100 0.277 0.000 0.777 240 P CB -0.237 31.558 31.700 0.158 0.000 0.794 241 L N -4.133 117.135 121.223 0.074 0.000 2.505 241 L HA 0.758 5.097 4.340 -0.002 0.000 0.259 241 L C -1.977 174.858 176.870 -0.058 0.000 0.952 241 L CA -1.356 53.382 54.840 -0.171 0.000 0.840 241 L CB 1.551 43.529 42.059 -0.136 0.000 1.358 241 L HN -0.106 nan 8.230 nan 0.000 0.409 242 W N 0.608 121.822 121.300 -0.145 0.000 2.957 242 W HA 0.704 5.363 4.660 -0.002 0.000 0.336 242 W C -0.799 175.620 176.519 -0.166 0.000 1.087 242 W CA -0.993 56.199 57.345 -0.254 0.000 1.235 242 W CB 0.869 30.067 29.460 -0.436 0.000 1.399 242 W HN 0.430 nan 8.180 nan 0.000 0.480 243 R N 2.018 122.511 120.500 -0.011 0.000 2.570 243 R HA 0.135 4.474 4.340 -0.002 0.000 0.277 243 R C 0.970 177.347 176.300 0.129 0.000 1.039 243 R CA 0.842 56.965 56.100 0.037 0.000 1.065 243 R CB 0.944 31.307 30.300 0.104 0.000 0.964 243 R HN 0.833 nan 8.270 nan 0.000 0.428 244 T N -2.744 111.905 114.554 0.159 0.000 3.023 244 T HA 0.088 4.436 4.350 -0.002 0.000 0.253 244 T C 0.747 175.645 174.700 0.329 0.000 1.038 244 T CA -0.031 62.258 62.100 0.314 0.000 0.962 244 T CB 0.199 69.212 68.868 0.242 0.000 1.018 244 T HN 0.569 nan 8.240 nan 0.000 0.521 245 S N 0.782 116.635 115.700 0.255 0.000 2.656 245 S HA 0.602 5.071 4.470 -0.002 0.000 0.273 245 S C -0.155 174.609 174.600 0.273 0.000 1.168 245 S CA -0.528 57.833 58.200 0.269 0.000 0.817 245 S CB 1.056 64.371 63.200 0.191 0.000 1.146 245 S HN 0.452 nan 8.310 nan 0.000 0.475 246 T N -0.351 114.353 114.554 0.251 0.000 2.667 246 T HA 0.357 4.705 4.350 -0.002 0.000 0.305 246 T C -0.433 174.330 174.700 0.106 0.000 1.022 246 T CA -0.260 61.931 62.100 0.152 0.000 0.995 246 T CB -0.592 68.377 68.868 0.167 0.000 1.026 246 T HN 0.603 nan 8.240 nan 0.000 0.527 247 D N -0.005 120.381 120.400 -0.023 0.000 2.443 247 D HA 0.101 4.740 4.640 -0.002 0.000 0.239 247 D C 1.175 177.424 176.300 -0.085 0.000 1.136 247 D CA -0.242 53.637 54.000 -0.201 0.000 0.879 247 D CB 0.497 40.855 40.800 -0.738 0.000 1.195 247 D HN 0.567 nan 8.370 nan 0.000 0.443 248 I N 1.316 121.882 120.570 -0.007 0.000 2.493 248 I HA -0.010 4.158 4.170 -0.002 0.000 0.254 248 I C 0.553 176.671 176.117 0.002 0.000 1.160 248 I CA 0.899 62.238 61.300 0.064 0.000 1.445 248 I CB 0.294 38.378 38.000 0.140 0.000 1.086 248 I HN 0.315 nan 8.210 nan 0.000 0.433 249 I N -1.110 119.400 120.570 -0.100 0.000 2.692 249 I HA 0.251 4.419 4.170 -0.002 0.000 0.293 249 I C -1.662 174.335 176.117 -0.200 0.000 1.200 249 I CA -0.792 60.463 61.300 -0.076 0.000 1.036 249 I CB 1.833 39.789 38.000 -0.072 0.000 1.258 249 I HN -0.208 nan 8.210 nan 0.000 0.421 250 Y N 5.736 126.075 120.300 0.064 0.000 2.360 250 Y HA 0.324 4.872 4.550 -0.003 0.000 0.337 250 Y C -0.420 175.526 175.900 0.076 0.000 1.039 250 Y CA -0.172 57.989 58.100 0.100 0.000 1.109 250 Y CB 1.165 39.660 38.460 0.058 0.000 1.201 250 Y HN 0.411 nan 8.280 nan 0.000 0.458 251 Y N 2.194 122.536 120.300 0.070 0.000 2.721 251 Y HA 0.283 4.831 4.550 -0.002 0.000 0.329 251 Y C 1.129 177.014 175.900 -0.024 0.000 1.211 251 Y CA 1.456 59.508 58.100 -0.079 0.000 1.512 251 Y CB 0.174 38.529 38.460 -0.175 0.000 1.249 251 Y HN 0.845 nan 8.280 nan 0.000 0.549 252 G N 3.492 111.989 108.800 -0.504 0.000 2.259 252 G HA2 -0.264 3.694 3.960 -0.002 0.000 0.217 252 G HA3 -0.264 3.694 3.960 -0.002 0.000 0.217 252 G C 0.116 174.898 174.900 -0.197 0.000 1.001 252 G CA -0.112 44.766 45.100 -0.370 0.000 0.627 252 G HN 0.593 nan 8.290 nan 0.000 0.501 253 N N 1.044 119.677 118.700 -0.112 0.000 2.493 253 N HA 0.497 5.235 4.740 -0.002 0.000 0.275 253 N C 0.073 175.533 175.510 -0.083 0.000 1.186 253 N CA -0.238 52.777 53.050 -0.058 0.000 0.978 253 N CB 0.631 39.130 38.487 0.019 0.000 1.184 253 N HN 0.246 nan 8.380 nan 0.000 0.487 254 Q N 0.887 120.652 119.800 -0.059 0.000 2.259 254 Q HA 0.389 4.727 4.340 -0.002 0.000 0.249 254 Q C -2.047 173.908 176.000 -0.074 0.000 0.914 254 Q CA -1.492 54.271 55.803 -0.067 0.000 0.904 254 Q CB 0.209 28.929 28.738 -0.030 0.000 1.213 254 Q HN 0.301 nan 8.270 nan 0.000 0.428 255 P HA -0.039 nan 4.420 nan 0.000 0.264 255 P C -0.687 176.582 177.300 -0.052 0.000 1.183 255 P CA 0.363 63.282 63.100 -0.303 0.000 0.763 255 P CB 0.545 31.783 31.700 -0.770 0.000 0.807 256 S N 2.676 118.392 115.700 0.026 0.000 2.561 256 S HA 0.376 4.845 4.470 -0.002 0.000 0.303 256 S C 0.820 175.584 174.600 0.274 0.000 1.110 256 S CA -0.643 57.665 58.200 0.181 0.000 1.034 256 S CB 0.583 63.843 63.200 0.100 0.000 1.010 256 S HN 0.291 nan 8.310 nan 0.000 0.482 257 M N 4.702 124.468 119.600 0.278 0.000 2.213 257 M HA 0.009 4.488 4.480 -0.002 0.000 0.263 257 M C 1.741 178.098 176.300 0.096 0.000 1.062 257 M CA 2.136 57.516 55.300 0.133 0.000 1.105 257 M CB -1.157 31.413 32.600 -0.050 0.000 1.385 257 M HN 0.758 nan 8.290 nan 0.000 0.417 258 T N -0.737 113.873 114.554 0.094 0.000 2.708 258 T HA -0.145 4.203 4.350 -0.002 0.000 0.266 258 T C 1.973 176.739 174.700 0.109 0.000 1.037 258 T CA 1.888 64.043 62.100 0.091 0.000 1.146 258 T CB -0.578 68.339 68.868 0.082 0.000 0.865 258 T HN 0.559 nan 8.240 nan 0.000 0.435 259 S N 0.715 116.483 115.700 0.114 0.000 2.382 259 S HA -0.004 4.464 4.470 -0.002 0.000 0.228 259 S C 2.025 176.713 174.600 0.146 0.000 1.027 259 S CA 0.921 59.196 58.200 0.124 0.000 0.991 259 S CB -0.499 62.769 63.200 0.113 0.000 0.823 259 S HN 0.481 nan 8.310 nan 0.000 0.469 260 L N 0.788 122.088 121.223 0.128 0.000 2.017 260 L HA -0.035 4.304 4.340 -0.002 0.000 0.208 260 L C 2.248 179.271 176.870 0.255 0.000 1.073 260 L CA 1.562 56.486 54.840 0.139 0.000 0.745 260 L CB -0.306 41.732 42.059 -0.034 0.000 0.894 260 L HN 0.373 nan 8.230 nan 0.000 0.432 261 L N -0.921 120.410 121.223 0.180 0.000 2.093 261 L HA -0.201 4.137 4.340 -0.002 0.000 0.208 261 L C 2.811 179.821 176.870 0.233 0.000 1.085 261 L CA 1.292 56.260 54.840 0.212 0.000 0.755 261 L CB -0.606 41.536 42.059 0.139 0.000 0.904 261 L HN 0.339 nan 8.230 nan 0.000 0.435 262 S N 0.323 116.127 115.700 0.173 0.000 2.359 262 S HA -0.203 4.266 4.470 -0.002 0.000 0.224 262 S C 1.795 176.470 174.600 0.126 0.000 1.035 262 S CA 1.937 60.217 58.200 0.133 0.000 1.018 262 S CB -0.200 63.071 63.200 0.117 0.000 0.876 262 S HN 0.429 nan 8.310 nan 0.000 0.448 263 N N 0.438 119.244 118.700 0.177 0.000 2.120 263 N HA -0.037 4.701 4.740 -0.002 0.000 0.188 263 N C 1.359 176.895 175.510 0.043 0.000 1.024 263 N CA 1.395 54.536 53.050 0.153 0.000 0.852 263 N CB -0.645 38.004 38.487 0.270 0.000 1.003 263 N HN 0.524 nan 8.380 nan 0.000 0.424 264 F N 1.878 121.805 119.950 -0.039 0.000 2.069 264 F HA -0.195 4.331 4.527 -0.002 0.000 0.298 264 F C 1.794 177.485 175.800 -0.182 0.000 1.113 264 F CA 1.544 59.426 58.000 -0.196 0.000 1.214 264 F CB -0.380 38.582 39.000 -0.062 0.000 0.978 264 F HN -0.030 nan 8.300 nan 0.000 0.474 265 D N 0.023 120.338 120.400 -0.141 0.000 2.123 265 D HA -0.205 4.433 4.640 -0.002 0.000 0.196 265 D C 2.167 178.256 176.300 -0.351 0.000 0.992 265 D CA 1.531 55.382 54.000 -0.249 0.000 0.833 265 D CB -0.504 40.283 40.800 -0.020 0.000 0.954 265 D HN 0.520 nan 8.370 nan 0.000 0.455 266 Q N -0.568 119.094 119.800 -0.231 0.000 2.436 266 Q HA -0.025 4.313 4.340 -0.002 0.000 0.209 266 Q C 1.642 177.478 176.000 -0.274 0.000 0.965 266 Q CA 0.703 56.377 55.803 -0.215 0.000 0.910 266 Q CB 0.158 28.877 28.738 -0.031 0.000 0.980 266 Q HN 0.082 nan 8.270 nan 0.000 0.491 267 T N 0.063 114.397 114.554 -0.367 0.000 3.065 267 T HA 0.158 4.507 4.350 -0.002 0.000 0.252 267 T C 0.388 174.819 174.700 -0.449 0.000 1.099 267 T CA -0.136 61.772 62.100 -0.319 0.000 1.063 267 T CB 0.156 68.796 68.868 -0.380 0.000 0.948 267 T HN 0.092 nan 8.240 nan 0.000 0.506 268 L N 3.390 124.169 121.223 -0.741 0.000 2.454 268 L HA 0.268 4.607 4.340 -0.002 0.000 0.284 268 L C -0.194 176.054 176.870 -1.036 0.000 1.139 268 L CA 0.106 54.511 54.840 -0.724 0.000 0.911 268 L CB -0.070 41.615 42.059 -0.623 0.000 1.262 268 L HN 0.253 nan 8.230 nan 0.000 0.453 269 H N 3.942 122.797 119.070 -0.357 0.000 2.538 269 H HA 0.170 4.725 4.556 -0.002 0.000 0.239 269 H C -1.923 173.314 175.328 -0.151 0.000 1.401 269 H CA -1.277 54.569 56.048 -0.337 0.000 1.499 269 H CB 1.222 30.725 29.762 -0.431 0.000 1.624 269 H HN 0.396 nan 8.280 nan 0.000 0.524 270 P HA -0.100 nan 4.420 nan 0.000 0.229 270 P C 1.503 178.829 177.300 0.044 0.000 1.160 270 P CA 0.932 64.020 63.100 -0.019 0.000 0.777 270 P CB 0.093 31.774 31.700 -0.032 0.000 0.814 271 T N -3.561 111.027 114.554 0.057 0.000 3.055 271 T HA 0.211 4.560 4.350 -0.002 0.000 0.265 271 T C 1.852 176.655 174.700 0.172 0.000 1.111 271 T CA 0.786 62.949 62.100 0.105 0.000 1.118 271 T CB -0.586 68.320 68.868 0.063 0.000 0.909 271 T HN -0.004 nan 8.240 nan 0.000 0.501 272 A N 0.524 123.405 122.820 0.102 0.000 2.095 272 A HA 0.291 4.609 4.320 -0.002 0.000 0.212 272 A C 1.368 178.881 177.584 -0.119 0.000 1.162 272 A CA -0.038 52.019 52.037 0.033 0.000 0.753 272 A CB -0.200 18.860 19.000 0.100 0.000 0.840 272 A HN 0.616 nan 8.150 nan 0.000 0.468 273 Q N 1.128 120.881 119.800 -0.078 0.000 2.303 273 Q HA 0.482 4.820 4.340 -0.002 0.000 0.257 273 Q C -1.037 174.782 176.000 -0.302 0.000 0.941 273 Q CA -0.551 55.115 55.803 -0.229 0.000 0.931 273 Q CB 0.328 28.974 28.738 -0.154 0.000 1.215 273 Q HN 0.762 nan 8.270 nan 0.000 0.437 274 H N 0.396 119.385 119.070 -0.134 0.000 2.919 274 H HA 0.063 4.618 4.556 -0.003 0.000 0.270 274 H C -0.776 174.390 175.328 -0.269 0.000 1.412 274 H CA -0.224 55.717 56.048 -0.180 0.000 1.261 274 H CB 0.107 29.811 29.762 -0.097 0.000 1.850 274 H HN 0.718 nan 8.280 nan 0.000 0.478 275 T N -1.732 112.743 114.554 -0.131 0.000 3.795 275 T HA -0.182 4.166 4.350 -0.002 0.000 0.370 275 T C 1.285 175.652 174.700 -0.555 0.000 0.761 275 T CA 2.171 64.104 62.100 -0.278 0.000 1.923 275 T CB -2.402 66.305 68.868 -0.268 0.000 1.795 275 T HN 2.362 nan 8.240 nan 0.000 0.762 276 G N -0.835 107.663 108.800 -0.503 0.000 2.176 276 G HA2 -0.228 3.730 3.960 -0.002 0.000 0.253 276 G HA3 -0.228 3.730 3.960 -0.002 0.000 0.253 276 G C -0.235 174.373 174.900 -0.487 0.000 0.979 276 G CA 0.099 44.959 45.100 -0.400 0.000 0.641 276 G HN 1.016 nan 8.290 nan 0.000 0.530 277 Y N -0.067 119.976 120.300 -0.429 0.000 2.331 277 Y HA 0.723 5.272 4.550 -0.003 0.000 0.338 277 Y C 0.018 175.491 175.900 -0.712 0.000 0.976 277 Y CA -1.782 56.158 58.100 -0.266 0.000 1.137 277 Y CB 0.968 39.410 38.460 -0.030 0.000 1.172 277 Y HN 0.167 nan 8.280 nan 0.000 0.478 278 Y N 1.509 121.532 120.300 -0.461 0.000 2.425 278 Y HA 0.338 4.886 4.550 -0.003 0.000 0.344 278 Y C 0.129 175.159 175.900 -1.451 0.000 0.969 278 Y CA -1.380 56.298 58.100 -0.703 0.000 1.052 278 Y CB 1.418 39.627 38.460 -0.418 0.000 1.215 278 Y HN 0.542 nan 8.280 nan 0.000 0.451 279 N N 2.210 120.395 118.700 -0.858 0.000 2.492 279 N HA -0.019 4.719 4.740 -0.002 0.000 0.262 279 N C -1.068 174.105 175.510 -0.562 0.000 1.202 279 N CA 0.388 52.955 53.050 -0.805 0.000 0.926 279 N CB 0.815 39.135 38.487 -0.279 0.000 1.078 279 N HN 0.635 nan 8.380 nan 0.000 0.454 280 D N 1.968 122.063 120.400 -0.508 0.000 2.461 280 D HA 0.242 4.880 4.640 -0.002 0.000 0.240 280 D C -1.978 174.214 176.300 -0.180 0.000 1.094 280 D CA -2.079 51.746 54.000 -0.292 0.000 0.868 280 D CB 1.325 41.993 40.800 -0.220 0.000 1.062 280 D HN 0.236 nan 8.370 nan 0.000 0.530 281 P HA 0.132 nan 4.420 nan 0.000 0.249 281 P C -0.457 176.939 177.300 0.161 0.000 1.241 281 P CA 0.146 63.118 63.100 -0.212 0.000 0.781 281 P CB 0.299 31.527 31.700 -0.786 0.000 1.088 282 D N -1.531 118.999 120.400 0.217 0.000 10.477 282 D HA -0.089 4.550 4.640 -0.002 0.000 0.342 282 D C -0.401 176.153 176.300 0.424 0.000 3.140 282 D CA -0.155 54.019 54.000 0.290 0.000 2.631 282 D CB -0.948 40.002 40.800 0.249 0.000 1.274 282 D HN -0.130 nan 8.370 nan 0.000 0.953 283 M N 0.962 120.713 119.600 0.251 0.000 2.248 283 M HA 0.242 4.720 4.480 -0.002 0.000 0.337 283 M C 0.371 176.736 176.300 0.109 0.000 1.121 283 M CA -0.121 55.279 55.300 0.166 0.000 1.155 283 M CB 0.300 32.942 32.600 0.071 0.000 1.514 283 M HN 0.213 nan 8.290 nan 0.000 0.452 284 L N 3.209 124.408 121.223 -0.040 0.000 2.485 284 L HA -0.004 4.335 4.340 -0.002 0.000 0.275 284 L C 0.980 177.751 176.870 -0.165 0.000 1.207 284 L CA 0.406 55.057 54.840 -0.315 0.000 0.855 284 L CB 0.278 42.072 42.059 -0.443 0.000 1.114 284 L HN 0.846 nan 8.230 nan 0.000 0.485 285 M N 2.045 121.599 119.600 -0.077 0.000 2.371 285 M HA 0.103 4.582 4.480 -0.002 0.000 0.246 285 M C -0.045 176.153 176.300 -0.170 0.000 1.103 285 M CA -0.209 54.999 55.300 -0.153 0.000 1.010 285 M CB 0.526 32.938 32.600 -0.313 0.000 1.457 285 M HN 0.317 nan 8.290 nan 0.000 0.486 286 V N 1.954 121.758 119.914 -0.184 0.000 2.625 286 V HA -0.014 4.104 4.120 -0.002 0.000 0.305 286 V C 1.413 177.472 176.094 -0.059 0.000 1.055 286 V CA 1.697 63.943 62.300 -0.091 0.000 1.209 286 V CB -0.204 31.499 31.823 -0.199 0.000 0.877 286 V HN 0.881 nan 8.190 nan 0.000 0.489 287 G N 4.000 112.799 108.800 -0.002 0.000 2.205 287 G HA2 -0.272 3.686 3.960 -0.002 0.000 0.261 287 G HA3 -0.272 3.686 3.960 -0.002 0.000 0.261 287 G C 0.184 175.062 174.900 -0.037 0.000 0.980 287 G CA 0.307 45.398 45.100 -0.015 0.000 0.632 287 G HN 0.571 nan 8.290 nan 0.000 0.533 288 M N 1.249 120.797 119.600 -0.086 0.000 2.240 288 M HA 0.277 4.756 4.480 -0.002 0.000 0.333 288 M C -0.026 176.219 176.300 -0.092 0.000 1.110 288 M CA -0.439 54.788 55.300 -0.122 0.000 1.173 288 M CB 0.235 32.714 32.600 -0.202 0.000 1.458 288 M HN -0.001 nan 8.290 nan 0.000 0.458 289 D N 1.741 122.090 120.400 -0.085 0.000 2.487 289 D HA 0.207 4.846 4.640 -0.002 0.000 0.243 289 D C 1.025 177.310 176.300 -0.025 0.000 1.154 289 D CA 1.430 55.400 54.000 -0.050 0.000 0.876 289 D CB 0.645 41.406 40.800 -0.065 0.000 1.161 289 D HN 0.871 nan 8.370 nan 0.000 0.478 290 G N 1.916 110.735 108.800 0.032 0.000 2.339 290 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.209 290 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.209 290 G C 0.170 175.200 174.900 0.216 0.000 1.015 290 G CA -0.639 44.513 45.100 0.087 0.000 0.635 290 G HN 0.390 nan 8.290 nan 0.000 0.499 291 F N 3.780 123.700 119.950 -0.050 0.000 2.456 291 F HA 0.543 5.069 4.527 -0.001 0.000 0.358 291 F C 1.612 177.376 175.800 -0.061 0.000 1.095 291 F CA -0.240 57.727 58.000 -0.055 0.000 1.216 291 F CB 1.040 40.010 39.000 -0.050 0.000 1.125 291 F HN 0.286 nan 8.300 nan 0.000 0.549 292 T N 0.626 115.159 114.554 -0.036 0.000 2.766 292 T HA 0.434 4.783 4.350 -0.002 0.000 0.295 292 T C 1.333 175.977 174.700 -0.092 0.000 1.024 292 T CA -0.270 61.786 62.100 -0.073 0.000 1.018 292 T CB 1.011 69.805 68.868 -0.123 0.000 1.002 292 T HN 0.633 nan 8.240 nan 0.000 0.532 293 A N 1.355 124.117 122.820 -0.096 0.000 1.903 293 A HA 0.017 4.336 4.320 -0.002 0.000 0.219 293 A C 2.691 180.146 177.584 -0.214 0.000 1.191 293 A CA 2.363 54.322 52.037 -0.131 0.000 0.638 293 A CB -1.652 17.275 19.000 -0.121 0.000 0.823 293 A HN 1.316 nan 8.150 nan 0.000 0.451 294 A N -1.105 121.582 122.820 -0.222 0.000 1.933 294 A HA -0.198 4.121 4.320 -0.002 0.000 0.218 294 A C 2.123 179.529 177.584 -0.297 0.000 1.175 294 A CA 1.663 53.537 52.037 -0.272 0.000 0.628 294 A CB -0.537 18.334 19.000 -0.213 0.000 0.814 294 A HN 0.678 nan 8.150 nan 0.000 0.444 295 Q N -0.405 119.199 119.800 -0.326 0.000 2.119 295 Q HA -0.146 4.193 4.340 -0.002 0.000 0.201 295 Q C 1.802 177.628 176.000 -0.289 0.000 0.972 295 Q CA 1.281 56.796 55.803 -0.479 0.000 0.847 295 Q CB -0.207 27.967 28.738 -0.939 0.000 0.903 295 Q HN 0.613 nan 8.270 nan 0.000 0.433 296 N N 0.783 119.406 118.700 -0.128 0.000 2.104 296 N HA -0.144 4.594 4.740 -0.002 0.000 0.190 296 N C 1.623 177.090 175.510 -0.072 0.000 1.024 296 N CA 1.189 54.250 53.050 0.019 0.000 0.853 296 N CB -0.166 38.322 38.487 0.002 0.000 1.008 296 N HN 0.227 nan 8.380 nan 0.000 0.424 297 R N 0.042 120.374 120.500 -0.280 0.000 2.073 297 R HA -0.018 4.320 4.340 -0.002 0.000 0.234 297 R C 2.126 178.335 176.300 -0.151 0.000 1.134 297 R CA 1.547 57.363 56.100 -0.472 0.000 0.952 297 R CB -0.659 28.969 30.300 -1.119 0.000 0.850 297 R HN 0.198 nan 8.270 nan 0.000 0.433 298 T N 0.209 114.663 114.554 -0.166 0.000 2.720 298 T HA -0.206 4.143 4.350 -0.002 0.000 0.268 298 T C 1.633 176.347 174.700 0.023 0.000 1.037 298 T CA 1.525 63.577 62.100 -0.080 0.000 1.144 298 T CB -0.417 68.361 68.868 -0.150 0.000 0.864 298 T HN 0.317 nan 8.240 nan 0.000 0.444 299 H N 1.021 120.035 119.070 -0.094 0.000 2.319 299 H HA -0.016 4.539 4.556 -0.003 0.000 0.299 299 H C 2.178 177.472 175.328 -0.057 0.000 1.092 299 H CA 1.462 57.435 56.048 -0.126 0.000 1.302 299 H CB -0.369 29.313 29.762 -0.133 0.000 1.373 299 H HN 0.192 nan 8.280 nan 0.000 0.497 300 M N 0.307 119.998 119.600 0.151 0.000 2.117 300 M HA -0.147 4.332 4.480 -0.002 0.000 0.262 300 M C 1.970 178.439 176.300 0.281 0.000 1.065 300 M CA 0.973 56.392 55.300 0.198 0.000 1.114 300 M CB -0.994 31.789 32.600 0.306 0.000 1.361 300 M HN 0.264 nan 8.290 nan 0.000 0.408 301 N N 0.874 119.742 118.700 0.281 0.000 2.069 301 N HA -0.113 4.626 4.740 -0.002 0.000 0.191 301 N C 1.922 177.526 175.510 0.157 0.000 1.031 301 N CA 1.299 54.489 53.050 0.232 0.000 0.852 301 N CB -0.590 38.019 38.487 0.203 0.000 1.018 301 N HN 0.365 nan 8.380 nan 0.000 0.423 302 L N -0.943 120.352 121.223 0.121 0.000 2.072 302 L HA -0.060 4.279 4.340 -0.002 0.000 0.205 302 L C 2.446 179.527 176.870 0.352 0.000 1.079 302 L CA 0.751 55.571 54.840 -0.033 0.000 0.752 302 L CB -0.328 41.500 42.059 -0.385 0.000 0.906 302 L HN 0.310 nan 8.230 nan 0.000 0.436 303 W N 0.175 121.541 121.300 0.111 0.000 2.358 303 W HA -0.212 4.446 4.660 -0.003 0.000 0.303 303 W C 2.620 179.189 176.519 0.084 0.000 1.208 303 W CA 0.782 58.210 57.345 0.137 0.000 1.274 303 W CB -0.051 29.485 29.460 0.127 0.000 1.138 303 W HN 0.198 nan 8.180 nan 0.000 0.515 304 A N 0.186 123.180 122.820 0.289 0.000 1.902 304 A HA -0.207 4.112 4.320 -0.002 0.000 0.217 304 A C 1.767 179.419 177.584 0.113 0.000 1.181 304 A CA 1.530 53.658 52.037 0.152 0.000 0.623 304 A CB -0.903 18.168 19.000 0.118 0.000 0.818 304 A HN 0.191 nan 8.150 nan 0.000 0.443 305 I N -0.516 120.134 120.570 0.134 0.000 2.454 305 I HA -0.139 4.030 4.170 -0.002 0.000 0.254 305 I C 2.568 178.756 176.117 0.118 0.000 1.156 305 I CA 1.635 63.010 61.300 0.126 0.000 1.433 305 I CB -0.142 37.941 38.000 0.140 0.000 1.082 305 I HN 0.286 nan 8.210 nan 0.000 0.432 306 S N 0.063 115.831 115.700 0.115 0.000 2.428 306 S HA 0.025 4.494 4.470 -0.002 0.000 0.230 306 S C 1.678 176.285 174.600 0.011 0.000 1.014 306 S CA 0.954 59.159 58.200 0.009 0.000 0.957 306 S CB -0.552 62.580 63.200 -0.113 0.000 0.784 306 S HN 0.761 nan 8.310 nan 0.000 0.499 307 G N 0.504 109.320 108.800 0.027 0.000 2.137 307 G HA2 -0.137 3.821 3.960 -0.002 0.000 0.237 307 G HA3 -0.137 3.821 3.960 -0.002 0.000 0.237 307 G C 0.181 175.007 174.900 -0.124 0.000 1.002 307 G CA 0.278 45.384 45.100 0.009 0.000 0.702 307 G HN 1.049 nan 8.290 nan 0.000 0.515 308 A N 0.277 123.025 122.820 -0.120 0.000 2.466 308 A HA 0.632 4.951 4.320 -0.002 0.000 0.238 308 A C -1.194 176.306 177.584 -0.140 0.000 1.074 308 A CA -0.439 51.480 52.037 -0.198 0.000 0.774 308 A CB 0.139 18.901 19.000 -0.396 0.000 1.015 308 A HN 0.225 nan 8.150 nan 0.000 0.498 309 P HA 0.146 nan 4.420 nan 0.000 0.267 309 P C -0.860 176.518 177.300 0.131 0.000 1.200 309 P CA 0.439 63.509 63.100 -0.050 0.000 0.772 309 P CB 0.250 31.942 31.700 -0.013 0.000 0.855 310 L N 3.761 125.045 121.223 0.102 0.000 2.426 310 L HA 0.337 4.675 4.340 -0.002 0.000 0.255 310 L C -0.211 176.801 176.870 0.237 0.000 1.080 310 L CA -0.151 54.799 54.840 0.182 0.000 0.960 310 L CB -0.104 42.018 42.059 0.104 0.000 1.326 310 L HN 0.205 nan 8.230 nan 0.000 0.441 311 L N 2.790 124.127 121.223 0.190 0.000 2.283 311 L HA 0.535 4.873 4.340 -0.002 0.000 0.281 311 L C 0.795 177.724 176.870 0.098 0.000 1.033 311 L CA -0.363 54.571 54.840 0.155 0.000 0.848 311 L CB 1.415 43.513 42.059 0.065 0.000 1.226 311 L HN 0.540 nan 8.230 nan 0.000 0.429 312 A N 2.181 125.095 122.820 0.158 0.000 2.483 312 A HA 0.466 4.785 4.320 -0.002 0.000 0.238 312 A C 1.086 178.667 177.584 -0.004 0.000 1.070 312 A CA 0.561 52.655 52.037 0.096 0.000 0.770 312 A CB 0.372 19.461 19.000 0.149 0.000 1.008 312 A HN 0.883 nan 8.150 nan 0.000 0.497 313 G N 1.267 110.060 108.800 -0.011 0.000 3.815 313 G HA2 0.124 4.082 3.960 -0.002 0.000 0.265 313 G HA3 0.124 4.082 3.960 -0.002 0.000 0.265 313 G C 0.233 175.175 174.900 0.070 0.000 1.026 313 G CA 0.114 45.156 45.100 -0.096 0.000 0.868 313 G HN 0.871 nan 8.290 nan 0.000 0.476 314 N N 0.479 119.272 118.700 0.156 0.000 2.381 314 N HA 0.117 4.856 4.740 -0.002 0.000 0.254 314 N C -1.143 174.537 175.510 0.283 0.000 1.264 314 N CA -0.420 52.704 53.050 0.124 0.000 0.942 314 N CB 0.930 39.439 38.487 0.037 0.000 1.190 314 N HN -0.143 nan 8.380 nan 0.000 0.495 315 D N 0.361 120.833 120.400 0.119 0.000 2.344 315 D HA 0.102 4.741 4.640 -0.002 0.000 0.253 315 D C 1.089 177.432 176.300 0.072 0.000 1.255 315 D CA -0.253 53.830 54.000 0.139 0.000 0.894 315 D CB 0.174 40.972 40.800 -0.003 0.000 1.067 315 D HN 0.487 nan 8.370 nan 0.000 0.492 316 L N 2.785 124.020 121.223 0.021 0.000 2.201 316 L HA -0.131 4.208 4.340 -0.002 0.000 0.212 316 L C 2.440 179.270 176.870 -0.068 0.000 1.105 316 L CA 1.264 56.050 54.840 -0.090 0.000 0.775 316 L CB -0.569 41.342 42.059 -0.248 0.000 0.913 316 L HN 0.475 nan 8.230 nan 0.000 0.440 317 T N -4.389 110.145 114.554 -0.033 0.000 2.995 317 T HA -0.111 4.237 4.350 -0.002 0.000 0.269 317 T C 1.527 176.218 174.700 -0.016 0.000 1.091 317 T CA 1.359 63.445 62.100 -0.024 0.000 1.128 317 T CB -0.428 68.440 68.868 -0.000 0.000 0.891 317 T HN 0.425 nan 8.240 nan 0.000 0.492 318 T N -1.473 113.075 114.554 -0.011 0.000 3.085 318 T HA 0.431 4.779 4.350 -0.002 0.000 0.264 318 T C 0.401 175.086 174.700 -0.025 0.000 1.019 318 T CA -0.659 61.431 62.100 -0.017 0.000 0.910 318 T CB -0.424 68.435 68.868 -0.015 0.000 1.059 318 T HN 0.430 nan 8.240 nan 0.000 0.542 319 M N 4.177 123.758 119.600 -0.032 0.000 2.239 319 M HA 0.253 4.731 4.480 -0.002 0.000 0.348 319 M C 0.394 176.670 176.300 -0.039 0.000 1.239 319 M CA -0.012 55.265 55.300 -0.039 0.000 1.114 319 M CB 0.747 33.312 32.600 -0.058 0.000 1.641 319 M HN 0.417 nan 8.290 nan 0.000 0.453 320 T N 1.283 115.817 114.554 -0.034 0.000 2.849 320 T HA 0.166 4.514 4.350 -0.002 0.000 0.284 320 T C 0.951 175.632 174.700 -0.032 0.000 1.004 320 T CA -0.359 61.723 62.100 -0.029 0.000 1.021 320 T CB 1.433 70.287 68.868 -0.024 0.000 1.013 320 T HN 0.804 nan 8.240 nan 0.000 0.527 321 S N -0.407 115.278 115.700 -0.026 0.000 2.382 321 S HA -0.175 4.293 4.470 -0.002 0.000 0.228 321 S C 1.852 176.444 174.600 -0.013 0.000 1.027 321 S CA 1.722 59.909 58.200 -0.022 0.000 0.991 321 S CB -0.724 62.467 63.200 -0.016 0.000 0.823 321 S HN 0.864 nan 8.310 nan 0.000 0.469 322 E N -0.248 119.945 120.200 -0.011 0.000 2.049 322 E HA -0.166 4.183 4.350 -0.002 0.000 0.198 322 E C 1.888 178.485 176.600 -0.005 0.000 1.007 322 E CA 1.806 58.203 56.400 -0.006 0.000 0.809 322 E CB -0.399 29.292 29.700 -0.015 0.000 0.749 322 E HN 0.540 nan 8.360 nan 0.000 0.450 323 T N 0.602 115.145 114.554 -0.018 0.000 2.746 323 T HA -0.117 4.232 4.350 -0.002 0.000 0.267 323 T C 1.848 176.532 174.700 -0.026 0.000 1.039 323 T CA 1.337 63.424 62.100 -0.022 0.000 1.142 323 T CB -0.338 68.512 68.868 -0.031 0.000 0.866 323 T HN 0.367 nan 8.240 nan 0.000 0.444 324 A N 1.419 124.213 122.820 -0.043 0.000 1.908 324 A HA 0.057 4.376 4.320 -0.002 0.000 0.218 324 A C 2.635 180.207 177.584 -0.020 0.000 1.181 324 A CA 1.939 53.936 52.037 -0.067 0.000 0.627 324 A CB -1.395 17.558 19.000 -0.080 0.000 0.818 324 A HN 0.519 nan 8.150 nan 0.000 0.445 325 G N -0.197 108.614 108.800 0.019 0.000 2.432 325 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.219 325 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.219 325 G C 1.499 176.493 174.900 0.157 0.000 1.135 325 G CA 1.142 46.284 45.100 0.070 0.000 0.767 325 G HN 0.503 nan 8.290 nan 0.000 0.550 326 I N 0.124 120.793 120.570 0.164 0.000 2.286 326 I HA -0.054 4.114 4.170 -0.002 0.000 0.245 326 I C 2.636 178.916 176.117 0.273 0.000 1.104 326 I CA 0.485 61.965 61.300 0.299 0.000 1.397 326 I CB -0.167 37.893 38.000 0.101 0.000 1.072 326 I HN 0.101 nan 8.210 nan 0.000 0.417 327 L N 0.519 121.808 121.223 0.110 0.000 2.127 327 L HA -0.215 4.124 4.340 -0.002 0.000 0.211 327 L C 2.010 178.989 176.870 0.182 0.000 1.089 327 L CA 1.520 56.410 54.840 0.083 0.000 0.757 327 L CB -0.399 41.574 42.059 -0.142 0.000 0.899 327 L HN 0.220 nan 8.230 nan 0.000 0.434 328 K N -0.731 119.740 120.400 0.118 0.000 2.374 328 K HA 0.041 4.360 4.320 -0.002 0.000 0.196 328 K C 0.482 177.108 176.600 0.044 0.000 1.023 328 K CA -0.308 56.048 56.287 0.115 0.000 1.103 328 K CB -0.032 32.498 32.500 0.050 0.000 0.848 328 K HN 0.121 nan 8.250 nan 0.000 0.528 329 N N 3.511 122.213 118.700 0.004 0.000 2.394 329 N HA -0.051 4.687 4.740 -0.002 0.000 0.277 329 N C -1.622 173.791 175.510 -0.162 0.000 1.346 329 N CA -0.911 52.040 53.050 -0.166 0.000 0.910 329 N CB 0.941 39.110 38.487 -0.530 0.000 1.201 329 N HN 0.029 nan 8.380 nan 0.000 0.488 330 P HA -0.087 nan 4.420 nan 0.000 0.223 330 P C 0.460 177.681 177.300 -0.131 0.000 1.151 330 P CA 1.151 64.190 63.100 -0.102 0.000 0.787 330 P CB 0.482 32.137 31.700 -0.075 0.000 0.788 331 E N -0.148 119.940 120.200 -0.186 0.000 2.076 331 E HA -0.048 4.301 4.350 -0.002 0.000 0.190 331 E C 2.141 178.623 176.600 -0.197 0.000 0.979 331 E CA 0.741 57.029 56.400 -0.186 0.000 0.807 331 E CB -0.402 29.170 29.700 -0.214 0.000 0.761 331 E HN 0.059 nan 8.360 nan 0.000 0.454 332 V N 1.795 121.540 119.914 -0.281 0.000 2.358 332 V HA -0.236 3.882 4.120 -0.002 0.000 0.246 332 V C 2.292 178.325 176.094 -0.101 0.000 1.047 332 V CA 1.399 63.573 62.300 -0.210 0.000 1.035 332 V CB -0.392 31.259 31.823 -0.287 0.000 0.658 332 V HN 0.235 nan 8.190 nan 0.000 0.452 333 I N 0.631 121.139 120.570 -0.103 0.000 2.208 333 I HA -0.271 3.897 4.170 -0.002 0.000 0.245 333 I C 2.655 178.722 176.117 -0.082 0.000 1.097 333 I CA 1.562 62.811 61.300 -0.086 0.000 1.363 333 I CB -0.568 37.371 38.000 -0.102 0.000 1.051 333 I HN 0.295 nan 8.210 nan 0.000 0.413 334 A N 0.265 123.035 122.820 -0.083 0.000 1.933 334 A HA -0.143 4.175 4.320 -0.002 0.000 0.218 334 A C 2.432 179.985 177.584 -0.051 0.000 1.175 334 A CA 1.663 53.660 52.037 -0.067 0.000 0.628 334 A CB -0.875 18.084 19.000 -0.068 0.000 0.814 334 A HN 0.250 nan 8.150 nan 0.000 0.444 335 V N 0.389 120.273 119.914 -0.050 0.000 2.295 335 V HA -0.276 3.843 4.120 -0.002 0.000 0.246 335 V C 2.322 178.410 176.094 -0.010 0.000 1.049 335 V CA 2.499 64.784 62.300 -0.025 0.000 1.024 335 V CB -0.837 30.975 31.823 -0.018 0.000 0.648 335 V HN 0.771 nan 8.190 nan 0.000 0.447 336 D N -0.489 119.902 120.400 -0.015 0.000 2.123 336 D HA -0.206 4.433 4.640 -0.002 0.000 0.196 336 D C 1.973 178.240 176.300 -0.054 0.000 0.992 336 D CA 1.159 55.148 54.000 -0.018 0.000 0.833 336 D CB -0.008 40.782 40.800 -0.018 0.000 0.954 336 D HN 0.349 nan 8.370 nan 0.000 0.455 337 Q N 0.524 120.287 119.800 -0.062 0.000 2.247 337 Q HA 0.071 4.410 4.340 -0.002 0.000 0.205 337 Q C -0.554 175.432 176.000 -0.023 0.000 0.896 337 Q CA -0.046 55.716 55.803 -0.068 0.000 0.950 337 Q CB 0.011 28.701 28.738 -0.080 0.000 1.054 337 Q HN 0.469 nan 8.270 nan 0.000 0.482 338 D N -0.120 120.277 120.400 -0.004 0.000 2.583 338 D HA -0.060 4.579 4.640 -0.002 0.000 0.232 338 D C 0.688 177.005 176.300 0.028 0.000 1.128 338 D CA 0.338 54.343 54.000 0.008 0.000 0.859 338 D CB 0.849 41.657 40.800 0.014 0.000 1.169 338 D HN -0.114 nan 8.370 nan 0.000 0.481 339 S N 2.832 118.542 115.700 0.017 0.000 2.469 339 S HA -0.146 4.322 4.470 -0.002 0.000 0.238 339 S C 1.736 176.353 174.600 0.027 0.000 0.998 339 S CA 0.543 58.756 58.200 0.023 0.000 0.957 339 S CB -0.087 63.121 63.200 0.012 0.000 0.764 339 S HN 0.511 nan 8.310 nan 0.000 0.514 340 R N 0.422 120.937 120.500 0.024 0.000 2.240 340 R HA 0.073 4.411 4.340 -0.002 0.000 0.203 340 R C 1.520 177.831 176.300 0.018 0.000 1.011 340 R CA 0.707 56.818 56.100 0.017 0.000 1.007 340 R CB -0.168 30.139 30.300 0.012 0.000 0.911 340 R HN 0.443 nan 8.270 nan 0.000 0.468 341 G N 0.537 109.368 108.800 0.053 0.000 2.148 341 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.254 341 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.254 341 G C -0.004 174.903 174.900 0.013 0.000 0.981 341 G CA 0.342 45.481 45.100 0.065 0.000 0.670 341 G HN 0.206 nan 8.290 nan 0.000 0.528 342 L N -0.078 121.165 121.223 0.033 0.000 2.418 342 L HA 0.483 4.821 4.340 -0.002 0.000 0.265 342 L C 0.927 177.819 176.870 0.036 0.000 1.143 342 L CA -0.586 54.267 54.840 0.020 0.000 0.809 342 L CB 1.113 43.184 42.059 0.020 0.000 1.124 342 L HN 0.273 nan 8.230 nan 0.000 0.456 343 Q N 0.505 120.313 119.800 0.014 0.000 2.243 343 Q HA 0.350 4.689 4.340 -0.002 0.000 0.252 343 Q C 0.044 176.057 176.000 0.022 0.000 0.909 343 Q CA -0.513 55.295 55.803 0.008 0.000 0.922 343 Q CB 1.656 30.371 28.738 -0.038 0.000 1.215 343 Q HN 0.781 nan 8.270 nan 0.000 0.427 344 G N 1.376 110.203 108.800 0.046 0.000 2.614 344 G HA2 0.370 4.329 3.960 -0.002 0.000 0.239 344 G HA3 0.370 4.329 3.960 -0.002 0.000 0.239 344 G C -0.533 174.429 174.900 0.103 0.000 1.240 344 G CA 0.009 45.166 45.100 0.096 0.000 0.842 344 G HN 0.617 nan 8.290 nan 0.000 0.584 345 V N -1.287 118.725 119.914 0.162 0.000 3.049 345 V HA 0.644 4.763 4.120 -0.002 0.000 0.309 345 V C -0.147 176.066 176.094 0.199 0.000 1.148 345 V CA -1.702 60.686 62.300 0.147 0.000 0.990 345 V CB 1.830 33.681 31.823 0.046 0.000 1.039 345 V HN 0.797 nan 8.190 nan 0.000 0.430 346 K N 1.150 121.601 120.400 0.085 0.000 2.412 346 K HA 0.410 4.729 4.320 -0.002 0.000 0.281 346 K C 0.619 177.134 176.600 -0.143 0.000 1.027 346 K CA 0.464 56.576 56.287 -0.292 0.000 0.989 346 K CB 1.405 33.681 32.500 -0.373 0.000 0.935 346 K HN 1.022 nan 8.250 nan 0.000 0.475 347 V N 0.441 120.268 119.914 -0.145 0.000 3.604 347 V HA 0.483 4.602 4.120 -0.002 0.000 0.277 347 V C 0.017 176.081 176.094 -0.049 0.000 1.399 347 V CA 0.286 62.555 62.300 -0.050 0.000 1.034 347 V CB 0.253 32.082 31.823 0.010 0.000 0.824 347 V HN 0.639 nan 8.190 nan 0.000 0.439 348 A N 0.242 123.004 122.820 -0.097 0.000 2.594 348 A HA 0.798 5.116 4.320 -0.002 0.000 0.296 348 A C -0.737 176.794 177.584 -0.090 0.000 1.061 348 A CA -0.027 51.971 52.037 -0.064 0.000 0.689 348 A CB 1.669 20.656 19.000 -0.021 0.000 1.280 348 A HN 0.311 nan 8.150 nan 0.000 0.406 349 E N 1.425 121.590 120.200 -0.058 0.000 3.286 349 E HA 0.166 4.514 4.350 -0.002 0.000 0.309 349 E C -0.762 175.817 176.600 -0.033 0.000 1.174 349 E CA -0.308 56.064 56.400 -0.046 0.000 0.984 349 E CB 0.321 29.994 29.700 -0.045 0.000 1.401 349 E HN 0.606 nan 8.360 nan 0.000 0.388 350 D N 0.352 120.733 120.400 -0.031 0.000 2.144 350 D HA -0.065 4.573 4.640 -0.002 0.000 0.199 350 D C 0.234 176.510 176.300 -0.040 0.000 0.984 350 D CA 1.268 55.248 54.000 -0.033 0.000 0.834 350 D CB 0.302 41.084 40.800 -0.029 0.000 0.955 350 D HN 0.204 nan 8.370 nan 0.000 0.465 351 T N 0.531 115.058 114.554 -0.045 0.000 2.797 351 T HA 0.272 4.621 4.350 -0.002 0.000 0.279 351 T C -0.162 174.511 174.700 -0.044 0.000 0.991 351 T CA -0.607 61.458 62.100 -0.059 0.000 0.979 351 T CB 1.874 70.686 68.868 -0.094 0.000 0.943 351 T HN -0.178 nan 8.240 nan 0.000 0.444 352 T N 2.863 117.396 114.554 -0.035 0.000 2.849 352 T HA 0.318 4.666 4.350 -0.002 0.000 0.289 352 T C 1.548 176.246 174.700 -0.003 0.000 1.010 352 T CA 1.311 63.405 62.100 -0.010 0.000 1.161 352 T CB 0.000 68.867 68.868 -0.002 0.000 0.989 352 T HN 1.056 nan 8.240 nan 0.000 0.523 353 G N 2.764 111.579 108.800 0.025 0.000 2.179 353 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.260 353 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.260 353 G C 0.071 175.000 174.900 0.048 0.000 0.977 353 G CA -0.212 44.916 45.100 0.046 0.000 0.641 353 G HN 0.687 nan 8.290 nan 0.000 0.533 354 L N 0.912 122.149 121.223 0.022 0.000 2.295 354 L HA 0.578 4.917 4.340 -0.002 0.000 0.281 354 L C 0.061 176.944 176.870 0.021 0.000 1.018 354 L CA -0.524 54.333 54.840 0.029 0.000 0.841 354 L CB 1.512 43.569 42.059 -0.003 0.000 1.218 354 L HN 0.202 nan 8.230 nan 0.000 0.424 355 Q N 2.345 122.173 119.800 0.047 0.000 2.375 355 Q HA 0.783 5.121 4.340 -0.002 0.000 0.271 355 Q C -0.829 175.175 176.000 0.006 0.000 1.074 355 Q CA -0.732 55.062 55.803 -0.014 0.000 0.808 355 Q CB 3.214 31.948 28.738 -0.007 0.000 1.327 355 Q HN 0.704 nan 8.270 nan 0.000 0.441 356 A N 2.121 124.887 122.820 -0.089 0.000 2.303 356 A HA 0.672 4.990 4.320 -0.002 0.000 0.320 356 A C -1.651 175.838 177.584 -0.158 0.000 1.192 356 A CA -0.380 51.651 52.037 -0.010 0.000 0.821 356 A CB 0.426 19.453 19.000 0.044 0.000 1.188 356 A HN 0.637 nan 8.150 nan 0.000 0.492 357 Y N 0.966 121.334 120.300 0.113 0.000 2.360 357 Y HA 0.584 5.132 4.550 -0.003 0.000 0.337 357 Y C 0.942 176.902 175.900 0.101 0.000 1.039 357 Y CA -0.124 58.049 58.100 0.122 0.000 1.109 357 Y CB 2.429 40.995 38.460 0.178 0.000 1.201 357 Y HN 0.798 nan 8.280 nan 0.000 0.458 358 G N 2.600 111.525 108.800 0.208 0.000 2.495 358 G HA2 0.582 4.541 3.960 -0.002 0.000 0.318 358 G HA3 0.582 4.541 3.960 -0.002 0.000 0.318 358 G C -1.775 173.195 174.900 0.116 0.000 1.257 358 G CA -0.954 44.227 45.100 0.135 0.000 0.962 358 G HN 0.473 nan 8.290 nan 0.000 0.483 359 K N 1.839 122.289 120.400 0.083 0.000 2.426 359 K HA 0.521 4.839 4.320 -0.002 0.000 0.254 359 K C -0.784 175.832 176.600 0.027 0.000 0.936 359 K CA -0.631 55.692 56.287 0.060 0.000 0.801 359 K CB 2.216 34.755 32.500 0.065 0.000 1.139 359 K HN 0.257 nan 8.250 nan 0.000 0.424 360 V N 6.258 126.183 119.914 0.019 0.000 2.439 360 V HA 0.168 4.286 4.120 -0.002 0.000 0.271 360 V C 0.360 176.454 176.094 0.001 0.000 1.040 360 V CA -0.288 62.013 62.300 0.001 0.000 1.002 360 V CB 0.332 32.157 31.823 0.002 0.000 1.000 360 V HN 0.673 nan 8.190 nan 0.000 0.477 361 L N 3.889 125.104 121.223 -0.013 0.000 2.400 361 L HA 0.525 4.864 4.340 -0.002 0.000 0.264 361 L C 0.955 177.816 176.870 -0.014 0.000 1.061 361 L CA -0.567 54.265 54.840 -0.013 0.000 0.799 361 L CB 1.573 43.617 42.059 -0.025 0.000 1.240 361 L HN 0.743 nan 8.230 nan 0.000 0.461 362 S N -0.159 115.535 115.700 -0.010 0.000 2.569 362 S HA 0.469 4.938 4.470 -0.002 0.000 0.274 362 S C 0.418 175.007 174.600 -0.017 0.000 1.353 362 S CA -0.055 58.140 58.200 -0.009 0.000 1.023 362 S CB 0.824 64.020 63.200 -0.006 0.000 0.876 362 S HN 1.195 nan 8.310 nan 0.000 0.540 363 G N 0.842 109.634 108.800 -0.014 0.000 2.642 363 G HA2 -0.061 3.898 3.960 -0.002 0.000 0.231 363 G HA3 -0.061 3.898 3.960 -0.002 0.000 0.231 363 G C -0.404 174.483 174.900 -0.023 0.000 1.338 363 G CA -0.241 44.848 45.100 -0.019 0.000 0.883 363 G HN 1.309 nan 8.290 nan 0.000 0.570 364 T N 0.512 115.049 114.554 -0.028 0.000 2.824 364 T HA 0.654 5.002 4.350 -0.002 0.000 0.282 364 T C 1.074 175.744 174.700 -0.049 0.000 0.993 364 T CA 1.366 63.447 62.100 -0.032 0.000 0.967 364 T CB 1.233 70.087 68.868 -0.024 0.000 0.960 364 T HN 2.579 nan 8.240 nan 0.000 0.441 365 G N 3.275 112.037 108.800 -0.062 0.000 2.176 365 G HA2 -0.213 3.745 3.960 -0.002 0.000 0.252 365 G HA3 -0.213 3.745 3.960 -0.002 0.000 0.252 365 G C -0.224 174.598 174.900 -0.130 0.000 1.024 365 G CA -0.543 44.498 45.100 -0.098 0.000 0.755 365 G HN 0.649 nan 8.290 nan 0.000 0.507 366 N N 0.227 118.865 118.700 -0.103 0.000 2.342 366 N HA 0.684 5.423 4.740 -0.002 0.000 0.293 366 N C -0.083 175.369 175.510 -0.097 0.000 1.026 366 N CA -0.483 52.503 53.050 -0.106 0.000 0.857 366 N CB 1.524 39.968 38.487 -0.073 0.000 1.256 366 N HN 0.201 nan 8.380 nan 0.000 0.484 367 R N 0.453 120.885 120.500 -0.114 0.000 2.771 367 R HA 0.743 5.082 4.340 -0.002 0.000 0.274 367 R C -0.849 175.416 176.300 -0.059 0.000 0.987 367 R CA -0.861 55.191 56.100 -0.081 0.000 0.908 367 R CB 1.839 32.076 30.300 -0.104 0.000 1.213 367 R HN 0.605 nan 8.270 nan 0.000 0.468 368 A N 1.160 123.970 122.820 -0.016 0.000 2.320 368 A HA 0.780 5.099 4.320 -0.002 0.000 0.334 368 A C -0.798 176.815 177.584 0.049 0.000 1.147 368 A CA -0.615 51.426 52.037 0.006 0.000 0.820 368 A CB 1.437 20.447 19.000 0.017 0.000 1.218 368 A HN 0.310 nan 8.150 nan 0.000 0.482 369 V N 1.625 121.581 119.914 0.071 0.000 2.686 369 V HA 0.459 4.578 4.120 -0.002 0.000 0.306 369 V C -0.769 175.416 176.094 0.151 0.000 1.065 369 V CA -0.521 61.854 62.300 0.125 0.000 0.894 369 V CB 1.854 33.757 31.823 0.132 0.000 1.004 369 V HN 0.681 nan 8.190 nan 0.000 0.424 370 V N 5.816 125.852 119.914 0.203 0.000 2.384 370 V HA 0.479 4.598 4.120 -0.002 0.000 0.287 370 V C -0.264 175.975 176.094 0.241 0.000 1.020 370 V CA -0.503 61.918 62.300 0.201 0.000 0.850 370 V CB 1.685 33.600 31.823 0.153 0.000 0.987 370 V HN 0.648 nan 8.190 nan 0.000 0.436 371 L N 6.057 127.397 121.223 0.194 0.000 2.260 371 L HA 0.553 4.891 4.340 -0.002 0.000 0.289 371 L C -0.585 176.376 176.870 0.151 0.000 1.057 371 L CA -0.368 54.578 54.840 0.176 0.000 0.811 371 L CB 1.221 43.377 42.059 0.162 0.000 1.184 371 L HN 0.445 nan 8.230 nan 0.000 0.429 372 L N 4.520 125.844 121.223 0.168 0.000 2.356 372 L HA 0.509 4.848 4.340 -0.002 0.000 0.277 372 L C -0.566 176.369 176.870 0.109 0.000 0.996 372 L CA -0.136 54.782 54.840 0.130 0.000 0.822 372 L CB 1.650 43.811 42.059 0.171 0.000 1.256 372 L HN 0.450 nan 8.230 nan 0.000 0.413 373 N N 4.056 122.800 118.700 0.072 0.000 2.558 373 N HA 0.330 5.069 4.740 -0.002 0.000 0.242 373 N C 0.045 175.589 175.510 0.058 0.000 0.979 373 N CA -0.290 52.804 53.050 0.073 0.000 0.931 373 N CB 0.883 39.413 38.487 0.072 0.000 1.122 373 N HN 0.675 nan 8.380 nan 0.000 0.508 374 R N 0.591 121.133 120.500 0.070 0.000 2.310 374 R HA 0.055 4.394 4.340 -0.002 0.000 0.202 374 R C 0.700 177.035 176.300 0.057 0.000 0.933 374 R CA 0.171 56.307 56.100 0.060 0.000 1.054 374 R CB 0.042 30.389 30.300 0.079 0.000 0.985 374 R HN 0.588 nan 8.270 nan 0.000 0.489 375 T N -2.109 112.489 114.554 0.072 0.000 2.849 375 T HA 0.098 4.447 4.350 -0.002 0.000 0.276 375 T C 1.261 176.001 174.700 0.066 0.000 0.971 375 T CA -0.493 61.656 62.100 0.082 0.000 0.949 375 T CB 1.642 70.588 68.868 0.130 0.000 1.093 375 T HN 0.043 nan 8.240 nan 0.000 0.545 376 S N -0.877 114.861 115.700 0.063 0.000 2.605 376 S HA 0.536 5.004 4.470 -0.002 0.000 0.217 376 S C 0.473 175.079 174.600 0.010 0.000 0.958 376 S CA -0.358 57.860 58.200 0.029 0.000 0.919 376 S CB -0.504 62.712 63.200 0.025 0.000 0.780 376 S HN 1.145 nan 8.310 nan 0.000 0.507 377 A N 0.796 123.627 122.820 0.019 0.000 2.475 377 A HA 0.873 5.192 4.320 -0.002 0.000 0.301 377 A C -0.079 177.364 177.584 -0.235 0.000 1.059 377 A CA -0.557 51.411 52.037 -0.116 0.000 0.710 377 A CB 1.053 19.964 19.000 -0.148 0.000 1.288 377 A HN 0.734 nan 8.150 nan 0.000 0.408 378 A N 1.788 124.437 122.820 -0.286 0.000 2.477 378 A HA 0.580 4.899 4.320 -0.002 0.000 0.246 378 A C -0.083 177.215 177.584 -0.477 0.000 1.078 378 A CA 0.371 52.261 52.037 -0.246 0.000 0.770 378 A CB -0.111 18.796 19.000 -0.155 0.000 1.011 378 A HN 0.854 nan 8.150 nan 0.000 0.494 379 H N 0.495 119.561 119.070 -0.006 0.000 3.046 379 H HA 0.225 4.780 4.556 -0.002 0.000 0.361 379 H C -1.374 173.950 175.328 -0.008 0.000 1.235 379 H CA -0.829 55.214 56.048 -0.007 0.000 1.146 379 H CB 1.485 31.245 29.762 -0.003 0.000 1.859 379 H HN 0.681 nan 8.280 nan 0.000 0.548 380 D N 1.767 122.241 120.400 0.125 0.000 2.382 380 D HA 0.263 4.901 4.640 -0.002 0.000 0.245 380 D C 0.312 176.641 176.300 0.049 0.000 1.120 380 D CA 0.332 54.361 54.000 0.049 0.000 0.890 380 D CB 0.907 41.713 40.800 0.009 0.000 1.201 380 D HN 0.259 nan 8.370 nan 0.000 0.433 381 I N 1.247 121.836 120.570 0.033 0.000 2.498 381 I HA 0.209 4.377 4.170 -0.002 0.000 0.290 381 I C -0.057 176.075 176.117 0.025 0.000 1.032 381 I CA -0.608 60.715 61.300 0.038 0.000 1.073 381 I CB 2.191 40.232 38.000 0.069 0.000 1.251 381 I HN 0.037 nan 8.210 nan 0.000 0.426 382 T N 5.057 119.621 114.554 0.017 0.000 2.855 382 T HA 0.461 4.810 4.350 -0.002 0.000 0.281 382 T C -0.710 174.028 174.700 0.064 0.000 1.007 382 T CA -0.488 61.620 62.100 0.014 0.000 1.009 382 T CB 2.430 71.282 68.868 -0.027 0.000 0.983 382 T HN 0.304 nan 8.240 nan 0.000 0.455 383 V N 3.972 123.959 119.914 0.123 0.000 2.555 383 V HA 0.603 4.722 4.120 -0.002 0.000 0.302 383 V C -0.738 175.459 176.094 0.172 0.000 1.038 383 V CA -0.898 61.504 62.300 0.170 0.000 0.887 383 V CB 1.472 33.446 31.823 0.252 0.000 0.991 383 V HN 0.784 nan 8.190 nan 0.000 0.434 384 R N 4.907 125.503 120.500 0.160 0.000 2.407 384 R HA 0.327 4.665 4.340 -0.002 0.000 0.303 384 R C 0.658 177.191 176.300 0.389 0.000 0.981 384 R CA -0.379 55.805 56.100 0.140 0.000 0.905 384 R CB 1.299 31.637 30.300 0.064 0.000 1.099 384 R HN 0.888 nan 8.270 nan 0.000 0.459 385 W N 0.953 122.279 121.300 0.042 0.000 2.321 385 W HA -0.288 4.371 4.660 -0.002 0.000 0.306 385 W C 2.298 178.834 176.519 0.028 0.000 1.217 385 W CA 1.045 58.411 57.345 0.035 0.000 1.257 385 W CB -0.206 29.274 29.460 0.033 0.000 1.145 385 W HN 0.653 nan 8.180 nan 0.000 0.509 386 S N 0.198 116.061 115.700 0.272 0.000 2.370 386 S HA -0.243 4.226 4.470 -0.002 0.000 0.226 386 S C 1.286 175.959 174.600 0.123 0.000 1.033 386 S CA 1.773 60.067 58.200 0.157 0.000 1.011 386 S CB -0.791 62.471 63.200 0.104 0.000 0.852 386 S HN 0.179 nan 8.310 nan 0.000 0.457 387 D N 1.629 122.104 120.400 0.125 0.000 2.219 387 D HA 0.062 4.700 4.640 -0.002 0.000 0.205 387 D C 1.682 178.032 176.300 0.084 0.000 0.970 387 D CA 0.727 54.781 54.000 0.089 0.000 0.851 387 D CB -0.248 40.598 40.800 0.077 0.000 0.943 387 D HN 0.433 nan 8.370 nan 0.000 0.488 388 L N -0.442 120.847 121.223 0.110 0.000 2.599 388 L HA 0.146 4.484 4.340 -0.002 0.000 0.230 388 L C 1.336 178.229 176.870 0.038 0.000 1.141 388 L CA 0.286 55.167 54.840 0.067 0.000 0.877 388 L CB -0.068 42.023 42.059 0.053 0.000 1.009 388 L HN 0.056 nan 8.230 nan 0.000 0.447 389 G N 0.688 109.520 108.800 0.054 0.000 2.160 389 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.244 389 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.244 389 G C -0.023 174.891 174.900 0.024 0.000 1.022 389 G CA -0.093 45.030 45.100 0.038 0.000 0.741 389 G HN 0.231 nan 8.290 nan 0.000 0.508 390 L N 0.685 121.930 121.223 0.037 0.000 2.334 390 L HA 0.692 5.031 4.340 -0.002 0.000 0.272 390 L C 1.439 178.365 176.870 0.093 0.000 1.020 390 L CA -0.537 54.312 54.840 0.015 0.000 0.812 390 L CB 1.601 43.601 42.059 -0.099 0.000 1.264 390 L HN 0.361 nan 8.230 nan 0.000 0.439 391 T N -2.306 112.298 114.554 0.082 0.000 2.754 391 T HA 0.128 4.476 4.350 -0.002 0.000 0.286 391 T C 0.443 175.269 174.700 0.209 0.000 0.997 391 T CA -0.722 61.448 62.100 0.116 0.000 0.982 391 T CB 0.347 69.263 68.868 0.079 0.000 1.027 391 T HN 0.397 nan 8.240 nan 0.000 0.529 392 N N 1.495 120.304 118.700 0.182 0.000 3.193 392 N HA 0.470 5.209 4.740 -0.002 0.000 0.312 392 N C -0.442 175.185 175.510 0.195 0.000 1.261 392 N CA -0.078 53.096 53.050 0.206 0.000 1.208 392 N CB -0.575 37.970 38.487 0.098 0.000 1.471 392 N HN 0.823 nan 8.380 nan 0.000 0.548 393 A N -0.428 122.550 122.820 0.263 0.000 2.384 393 A HA 0.571 4.890 4.320 -0.002 0.000 0.312 393 A C 0.249 177.995 177.584 0.269 0.000 1.113 393 A CA -0.705 51.447 52.037 0.191 0.000 0.779 393 A CB 1.132 20.198 19.000 0.111 0.000 1.307 393 A HN 0.219 nan 8.150 nan 0.000 0.436 394 S N -0.289 115.527 115.700 0.193 0.000 2.552 394 S HA 0.467 4.936 4.470 -0.002 0.000 0.289 394 S C 0.169 174.879 174.600 0.183 0.000 1.304 394 S CA 0.538 58.868 58.200 0.218 0.000 1.063 394 S CB -0.148 63.129 63.200 0.128 0.000 0.848 394 S HN 1.923 nan 8.310 nan 0.000 0.499 395 A N 4.078 127.053 122.820 0.259 0.000 2.556 395 A HA 0.699 5.018 4.320 -0.002 0.000 0.294 395 A C -0.418 177.242 177.584 0.127 0.000 1.091 395 A CA -0.783 51.291 52.037 0.060 0.000 0.704 395 A CB 1.605 20.428 19.000 -0.295 0.000 1.300 395 A HN 0.666 nan 8.150 nan 0.000 0.406 396 T N 1.221 115.785 114.554 0.018 0.000 2.799 396 T HA 0.529 4.878 4.350 -0.002 0.000 0.286 396 T C -0.313 174.374 174.700 -0.020 0.000 0.973 396 T CA -0.225 61.890 62.100 0.026 0.000 1.035 396 T CB 1.035 69.902 68.868 -0.002 0.000 0.932 396 T HN 0.522 nan 8.240 nan 0.000 0.469 397 V N 4.233 124.138 119.914 -0.016 0.000 2.427 397 V HA 0.586 4.705 4.120 -0.002 0.000 0.286 397 V C 0.228 176.230 176.094 -0.152 0.000 1.034 397 V CA -0.838 61.380 62.300 -0.138 0.000 0.893 397 V CB 1.402 33.032 31.823 -0.322 0.000 0.982 397 V HN 0.725 nan 8.190 nan 0.000 0.452 398 R N 2.605 123.016 120.500 -0.149 0.000 2.561 398 R HA 0.388 4.727 4.340 -0.002 0.000 0.297 398 R C -1.332 174.911 176.300 -0.094 0.000 0.969 398 R CA -0.620 55.419 56.100 -0.101 0.000 0.879 398 R CB 1.661 31.915 30.300 -0.076 0.000 1.178 398 R HN 0.784 nan 8.270 nan 0.000 0.445 399 D N 5.232 125.602 120.400 -0.051 0.000 2.313 399 D HA 0.111 4.749 4.640 -0.002 0.000 0.239 399 D C 0.918 177.212 176.300 -0.011 0.000 1.142 399 D CA -0.234 53.768 54.000 0.004 0.000 0.847 399 D CB 1.281 42.119 40.800 0.063 0.000 1.082 399 D HN 0.605 nan 8.370 nan 0.000 0.480 400 L N 2.756 123.949 121.223 -0.051 0.000 2.492 400 L HA 0.031 4.370 4.340 -0.002 0.000 0.223 400 L C 1.297 177.956 176.870 -0.352 0.000 1.132 400 L CA 0.227 54.940 54.840 -0.212 0.000 0.850 400 L CB 0.005 41.890 42.059 -0.290 0.000 0.966 400 L HN 0.488 nan 8.230 nan 0.000 0.454 401 W N -0.517 120.788 121.300 0.007 0.000 2.640 401 W HA 0.144 4.802 4.660 -0.003 0.000 0.271 401 W C 2.542 179.065 176.519 0.006 0.000 1.218 401 W CA 0.499 57.848 57.345 0.007 0.000 1.382 401 W CB -0.016 29.449 29.460 0.008 0.000 1.067 401 W HN -0.054 nan 8.180 nan 0.000 0.590 402 A N 0.563 123.504 122.820 0.202 0.000 2.119 402 A HA -0.022 4.297 4.320 -0.002 0.000 0.217 402 A C 0.915 178.536 177.584 0.062 0.000 1.153 402 A CA 0.599 52.707 52.037 0.120 0.000 0.692 402 A CB -0.396 18.665 19.000 0.102 0.000 0.799 402 A HN 0.212 nan 8.150 nan 0.000 0.458 403 R N -0.980 119.534 120.500 0.023 0.000 3.264 403 R HA -0.176 4.163 4.340 -0.002 0.000 0.251 403 R C -0.200 176.097 176.300 -0.005 0.000 0.971 403 R CA 1.353 57.443 56.100 -0.016 0.000 0.658 403 R CB -2.814 27.476 30.300 -0.017 0.000 1.095 403 R HN 0.879 nan 8.270 nan 0.000 0.443 404 Q N 0.535 120.334 119.800 -0.001 0.000 2.284 404 Q HA 0.302 4.641 4.340 -0.002 0.000 0.269 404 Q C -1.192 174.806 176.000 -0.003 0.000 1.026 404 Q CA -0.746 55.061 55.803 0.007 0.000 0.831 404 Q CB 1.518 30.272 28.738 0.028 0.000 1.322 404 Q HN 0.141 nan 8.270 nan 0.000 0.419 405 N N 2.451 121.148 118.700 -0.005 0.000 2.452 405 N HA 0.055 4.794 4.740 -0.002 0.000 0.266 405 N C 0.454 175.971 175.510 0.012 0.000 1.209 405 N CA 0.202 53.247 53.050 -0.009 0.000 0.929 405 N CB 1.442 39.927 38.487 -0.004 0.000 1.063 405 N HN 0.520 nan 8.380 nan 0.000 0.472 406 V N -0.603 119.312 119.914 0.002 0.000 3.483 406 V HA 0.621 4.739 4.120 -0.002 0.000 0.301 406 V C 0.857 177.023 176.094 0.120 0.000 1.389 406 V CA 0.141 62.479 62.300 0.063 0.000 1.101 406 V CB -0.444 31.434 31.823 0.091 0.000 0.971 406 V HN 0.683 nan 8.190 nan 0.000 0.434 407 G N 0.256 109.105 108.800 0.082 0.000 2.369 407 G HA2 0.406 4.364 3.960 -0.002 0.000 0.307 407 G HA3 0.406 4.364 3.960 -0.002 0.000 0.307 407 G C -0.567 174.405 174.900 0.120 0.000 1.327 407 G CA 0.013 45.185 45.100 0.120 0.000 0.963 407 G HN 1.064 nan 8.290 nan 0.000 0.590 408 T N -2.520 112.117 114.554 0.137 0.000 2.916 408 T HA 0.892 5.240 4.350 -0.002 0.000 0.292 408 T C -0.276 174.536 174.700 0.187 0.000 1.055 408 T CA 0.083 62.283 62.100 0.167 0.000 1.009 408 T CB 2.047 70.988 68.868 0.121 0.000 1.118 408 T HN 2.099 nan 8.240 nan 0.000 0.497 409 S N -0.759 115.102 115.700 0.268 0.000 2.547 409 S HA 0.637 5.105 4.470 -0.002 0.000 0.270 409 S C 0.203 174.951 174.600 0.247 0.000 1.150 409 S CA -0.154 58.125 58.200 0.132 0.000 0.850 409 S CB 1.187 64.329 63.200 -0.096 0.000 1.118 409 S HN 1.359 nan 8.310 nan 0.000 0.461 410 A N 1.682 124.532 122.820 0.051 0.000 2.308 410 A HA 0.311 4.630 4.320 -0.002 0.000 0.217 410 A C 1.405 178.863 177.584 -0.210 0.000 1.216 410 A CA 1.105 53.211 52.037 0.114 0.000 0.864 410 A CB -0.489 18.564 19.000 0.089 0.000 0.902 410 A HN 1.090 nan 8.150 nan 0.000 0.499 411 T N -5.537 108.605 114.554 -0.686 0.000 3.057 411 T HA 0.532 4.881 4.350 -0.002 0.000 0.254 411 T C 0.813 174.812 174.700 -1.168 0.000 0.965 411 T CA 0.887 62.564 62.100 -0.705 0.000 0.978 411 T CB 0.530 69.198 68.868 -0.334 0.000 1.169 411 T HN 1.324 nan 8.240 nan 0.000 0.489 412 G N -0.071 107.809 108.800 -1.533 0.000 2.320 412 G HA2 0.452 4.411 3.960 -0.002 0.000 0.296 412 G HA3 0.452 4.411 3.960 -0.002 0.000 0.296 412 G C -2.550 171.986 174.900 -0.608 0.000 1.306 412 G CA -0.739 43.655 45.100 -1.176 0.000 0.836 412 G HN 0.442 nan 8.290 nan 0.000 0.517 413 Y N -0.166 119.964 120.300 -0.283 0.000 2.513 413 Y HA 0.687 5.235 4.550 -0.002 0.000 0.340 413 Y C -0.742 175.155 175.900 -0.005 0.000 1.055 413 Y CA -0.478 57.584 58.100 -0.063 0.000 1.020 413 Y CB 2.378 40.914 38.460 0.126 0.000 1.301 413 Y HN 0.700 nan 8.280 nan 0.000 0.453 414 T N 4.583 118.712 114.554 -0.707 0.000 2.861 414 T HA 0.894 5.243 4.350 -0.002 0.000 0.287 414 T C -1.151 173.182 174.700 -0.611 0.000 1.003 414 T CA -0.473 61.355 62.100 -0.453 0.000 0.977 414 T CB 1.332 70.037 68.868 -0.271 0.000 0.996 414 T HN 0.816 nan 8.240 nan 0.000 0.448 415 A N 1.689 124.374 122.820 -0.224 0.000 2.475 415 A HA 0.816 5.135 4.320 -0.002 0.000 0.301 415 A C -0.111 177.468 177.584 -0.009 0.000 1.059 415 A CA -0.791 51.198 52.037 -0.081 0.000 0.710 415 A CB 1.730 20.820 19.000 0.150 0.000 1.288 415 A HN 0.661 nan 8.150 nan 0.000 0.408 416 S N 0.389 116.090 115.700 0.002 0.000 2.505 416 S HA 0.501 4.970 4.470 -0.002 0.000 0.276 416 S C -0.463 174.155 174.600 0.031 0.000 1.274 416 S CA -0.186 58.021 58.200 0.012 0.000 1.053 416 S CB -0.123 63.075 63.200 -0.003 0.000 0.919 416 S HN 0.888 nan 8.310 nan 0.000 0.490 417 V N 8.369 128.304 119.914 0.034 0.000 2.487 417 V HA 0.436 4.555 4.120 -0.002 0.000 0.298 417 V C -2.282 173.816 176.094 0.007 0.000 1.028 417 V CA -2.011 60.309 62.300 0.034 0.000 0.860 417 V CB 1.588 33.447 31.823 0.060 0.000 0.991 417 V HN 0.712 nan 8.190 nan 0.000 0.427 418 P HA 0.206 nan 4.420 nan 0.000 0.272 418 P C -0.233 177.047 177.300 -0.033 0.000 1.230 418 P CA -0.126 62.950 63.100 -0.039 0.000 0.788 418 P CB 0.501 32.170 31.700 -0.052 0.000 0.949 419 A N 2.152 124.946 122.820 -0.044 0.000 2.566 419 A HA 0.363 4.682 4.320 -0.002 0.000 0.245 419 A C 1.593 179.155 177.584 -0.036 0.000 1.056 419 A CA 0.830 52.851 52.037 -0.026 0.000 0.757 419 A CB -1.683 17.296 19.000 -0.035 0.000 0.979 419 A HN 0.893 nan 8.150 nan 0.000 0.508 420 G N 1.681 110.468 108.800 -0.022 0.000 2.189 420 G HA2 -0.047 3.912 3.960 -0.002 0.000 0.267 420 G HA3 -0.047 3.912 3.960 -0.002 0.000 0.267 420 G C 0.919 175.774 174.900 -0.074 0.000 0.975 420 G CA 0.898 45.969 45.100 -0.048 0.000 0.644 420 G HN 1.916 nan 8.290 nan 0.000 0.537 421 G N -0.863 107.903 108.800 -0.057 0.000 2.557 421 G HA2 0.877 4.836 3.960 -0.002 0.000 0.302 421 G HA3 0.877 4.836 3.960 -0.002 0.000 0.302 421 G C 0.013 174.891 174.900 -0.037 0.000 1.311 421 G CA 0.610 45.667 45.100 -0.071 0.000 1.030 421 G HN 1.739 nan 8.290 nan 0.000 0.509 422 S N -2.406 113.272 115.700 -0.037 0.000 2.570 422 S HA 0.668 5.136 4.470 -0.002 0.000 0.270 422 S C -1.492 173.136 174.600 0.047 0.000 1.149 422 S CA -0.701 57.507 58.200 0.014 0.000 0.837 422 S CB 1.911 65.112 63.200 0.002 0.000 1.124 422 S HN 0.762 nan 8.310 nan 0.000 0.465 423 V N 2.189 122.168 119.914 0.107 0.000 2.604 423 V HA 0.727 4.845 4.120 -0.002 0.000 0.305 423 V C -0.716 175.493 176.094 0.193 0.000 1.043 423 V CA -0.553 61.843 62.300 0.159 0.000 0.888 423 V CB 1.774 33.697 31.823 0.167 0.000 0.995 423 V HN 1.007 nan 8.190 nan 0.000 0.429 424 M N 6.445 126.195 119.600 0.249 0.000 2.227 424 M HA 0.727 5.206 4.480 -0.002 0.000 0.335 424 M C -1.658 174.707 176.300 0.109 0.000 1.053 424 M CA 0.100 55.517 55.300 0.194 0.000 0.973 424 M CB 1.117 33.862 32.600 0.242 0.000 1.623 424 M HN 0.513 nan 8.290 nan 0.000 0.434 425 L N 2.978 124.239 121.223 0.064 0.000 2.350 425 L HA 0.825 5.164 4.340 -0.002 0.000 0.260 425 L C -0.258 176.596 176.870 -0.027 0.000 1.015 425 L CA -0.961 53.877 54.840 -0.003 0.000 0.821 425 L CB 2.614 44.663 42.059 -0.017 0.000 1.370 425 L HN 0.814 nan 8.230 nan 0.000 0.416 426 T N -1.471 113.042 114.554 -0.068 0.000 2.912 426 T HA 0.738 5.087 4.350 -0.002 0.000 0.288 426 T C -0.676 173.955 174.700 -0.115 0.000 1.030 426 T CA -0.762 61.291 62.100 -0.079 0.000 1.020 426 T CB 2.027 70.847 68.868 -0.080 0.000 1.056 426 T HN 0.210 nan 8.240 nan 0.000 0.480 427 V N 3.130 122.953 119.914 -0.152 0.000 2.376 427 V HA 0.634 4.752 4.120 -0.002 0.000 0.287 427 V C 0.303 176.249 176.094 -0.246 0.000 1.015 427 V CA -0.614 61.532 62.300 -0.258 0.000 0.834 427 V CB 1.039 32.584 31.823 -0.463 0.000 1.001 427 V HN 1.300 nan 8.190 nan 0.000 0.428 428 T N 0.213 114.653 114.554 -0.190 0.000 2.916 428 T HA 0.710 5.059 4.350 -0.002 0.000 0.292 428 T C 0.792 175.416 174.700 -0.126 0.000 1.055 428 T CA -0.052 61.962 62.100 -0.144 0.000 1.009 428 T CB 1.855 70.666 68.868 -0.095 0.000 1.118 428 T HN 1.687 nan 8.240 nan 0.000 0.497 429 G N 0.198 108.938 108.800 -0.101 0.000 2.160 429 G HA2 -0.002 3.956 3.960 -0.002 0.000 0.251 429 G HA3 -0.002 3.956 3.960 -0.002 0.000 0.251 429 G C 0.524 175.375 174.900 -0.081 0.000 1.008 429 G CA 0.164 45.221 45.100 -0.071 0.000 0.724 429 G HN 1.294 nan 8.290 nan 0.000 0.514 430 G N -1.347 107.369 108.800 -0.140 0.000 2.563 430 G HA2 0.610 4.569 3.960 -0.002 0.000 0.283 430 G HA3 0.610 4.569 3.960 -0.002 0.000 0.283 430 G C -0.077 174.768 174.900 -0.091 0.000 1.309 430 G CA 0.437 45.441 45.100 -0.159 0.000 1.022 430 G HN 0.610 nan 8.290 nan 0.000 0.501 431 T N 1.211 115.726 114.554 -0.065 0.000 2.779 431 T HA 0.349 4.697 4.350 -0.002 0.000 0.280 431 T C -0.332 174.352 174.700 -0.027 0.000 0.987 431 T CA -0.448 61.636 62.100 -0.027 0.000 0.966 431 T CB 1.600 70.473 68.868 0.009 0.000 0.933 431 T HN 0.375 nan 8.240 nan 0.000 0.442 432 E N 1.812 121.998 120.200 -0.023 0.000 2.392 432 E HA 0.340 4.688 4.350 -0.002 0.000 0.264 432 E C 0.366 176.970 176.600 0.006 0.000 1.024 432 E CA -0.215 56.176 56.400 -0.014 0.000 0.903 432 E CB 0.735 30.428 29.700 -0.012 0.000 0.963 432 E HN 0.777 nan 8.360 nan 0.000 0.432 433 A N 2.051 124.880 122.820 0.015 0.000 2.466 433 A HA 0.335 4.654 4.320 -0.002 0.000 0.238 433 A C 0.353 177.951 177.584 0.023 0.000 1.074 433 A CA 0.267 52.321 52.037 0.028 0.000 0.774 433 A CB 0.183 19.204 19.000 0.035 0.000 1.015 433 A HN 0.649 nan 8.150 nan 0.000 0.498 434 A N 1.273 124.108 122.820 0.025 0.000 2.567 434 A HA 0.479 4.798 4.320 -0.002 0.000 0.240 434 A C 0.851 178.448 177.584 0.023 0.000 1.053 434 A CA 0.646 52.694 52.037 0.020 0.000 0.755 434 A CB -0.514 18.497 19.000 0.019 0.000 0.978 434 A HN 1.776 nan 8.150 nan 0.000 0.507 435 G N 0.477 109.287 108.800 0.017 0.000 2.644 435 G HA2 0.626 4.584 3.960 -0.002 0.000 0.307 435 G HA3 0.626 4.584 3.960 -0.002 0.000 0.307 435 G C -0.010 174.897 174.900 0.012 0.000 1.250 435 G CA -0.212 44.905 45.100 0.028 0.000 0.996 435 G HN 1.222 nan 8.290 nan 0.000 0.489 436 G N -1.081 107.746 108.800 0.046 0.000 2.379 436 G HA2 0.690 4.649 3.960 -0.002 0.000 0.327 436 G HA3 0.690 4.649 3.960 -0.002 0.000 0.327 436 G C -0.387 174.436 174.900 -0.128 0.000 1.145 436 G CA 0.136 45.196 45.100 -0.067 0.000 0.905 436 G HN 1.020 nan 8.290 nan 0.000 0.466 437 A N 1.801 124.417 122.820 -0.341 0.000 2.304 437 A HA 0.831 5.150 4.320 -0.002 0.000 0.323 437 A C -1.419 175.910 177.584 -0.425 0.000 1.195 437 A CA -0.573 51.338 52.037 -0.210 0.000 0.826 437 A CB 0.809 19.748 19.000 -0.101 0.000 1.184 437 A HN 0.662 nan 8.150 nan 0.000 0.496 438 Y N 0.321 120.656 120.300 0.059 0.000 2.512 438 Y HA 0.646 5.194 4.550 -0.003 0.000 0.348 438 Y C 0.399 176.441 175.900 0.238 0.000 0.990 438 Y CA -0.486 57.695 58.100 0.136 0.000 1.033 438 Y CB 2.358 40.923 38.460 0.174 0.000 1.259 438 Y HN 0.878 nan 8.280 nan 0.000 0.461 439 A N 1.353 124.401 122.820 0.380 0.000 2.340 439 A HA 0.857 5.175 4.320 -0.002 0.000 0.331 439 A C -0.466 177.211 177.584 0.155 0.000 1.140 439 A CA -0.595 51.627 52.037 0.307 0.000 0.801 439 A CB 0.572 19.658 19.000 0.143 0.000 1.234 439 A HN 0.943 nan 8.150 nan 0.000 0.469 440 A N 0.949 123.645 122.820 -0.207 0.000 2.498 440 A HA 0.430 4.748 4.320 -0.002 0.000 0.239 440 A C 1.333 178.782 177.584 -0.225 0.000 1.068 440 A CA 0.633 52.312 52.037 -0.598 0.000 0.766 440 A CB -0.280 18.253 19.000 -0.778 0.000 1.003 440 A HN 1.506 nan 8.150 nan 0.000 0.497 441 T N -0.840 113.606 114.554 -0.181 0.000 3.051 441 T HA 0.260 4.608 4.350 -0.002 0.000 0.255 441 T C 0.744 175.393 174.700 -0.084 0.000 1.085 441 T CA 0.730 62.781 62.100 -0.081 0.000 1.109 441 T CB -0.400 68.448 68.868 -0.033 0.000 0.921 441 T HN 1.261 nan 8.240 nan 0.000 0.488 442 S N 0.220 115.848 115.700 -0.120 0.000 2.685 442 S HA 0.513 4.982 4.470 -0.002 0.000 0.282 442 S C -0.618 173.904 174.600 -0.131 0.000 1.159 442 S CA -0.893 57.249 58.200 -0.096 0.000 0.833 442 S CB 1.025 64.187 63.200 -0.064 0.000 1.151 442 S HN 0.083 nan 8.310 nan 0.000 0.485 443 T N 1.827 116.326 114.554 -0.092 0.000 2.778 443 T HA 0.425 4.774 4.350 -0.002 0.000 0.282 443 T C 1.473 176.116 174.700 -0.095 0.000 0.983 443 T CA 1.321 63.367 62.100 -0.089 0.000 1.193 443 T CB -0.558 68.277 68.868 -0.054 0.000 0.938 443 T HN 1.848 nan 8.240 nan 0.000 0.523 444 G N 3.427 112.153 108.800 -0.122 0.000 2.162 444 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.260 444 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.260 444 G C 0.173 175.026 174.900 -0.077 0.000 0.976 444 G CA 0.266 45.326 45.100 -0.067 0.000 0.655 444 G HN 0.789 nan 8.290 nan 0.000 0.533 445 R N -0.292 120.081 120.500 -0.211 0.000 2.409 445 R HA 0.595 4.934 4.340 -0.002 0.000 0.313 445 R C -1.069 175.047 176.300 -0.307 0.000 0.953 445 R CA -0.761 55.251 56.100 -0.146 0.000 0.849 445 R CB 0.645 30.892 30.300 -0.087 0.000 1.171 445 R HN 0.141 nan 8.270 nan 0.000 0.458 446 Y N 2.453 122.743 120.300 -0.017 0.000 2.335 446 Y HA 0.289 4.838 4.550 -0.002 0.000 0.339 446 Y C 0.678 176.534 175.900 -0.073 0.000 0.987 446 Y CA -0.304 57.775 58.100 -0.036 0.000 1.140 446 Y CB 2.017 40.438 38.460 -0.065 0.000 1.173 446 Y HN 0.534 nan 8.280 nan 0.000 0.486 447 T N -1.722 112.865 114.554 0.054 0.000 2.926 447 T HA 0.607 4.956 4.350 -0.002 0.000 0.289 447 T C 0.846 175.560 174.700 0.023 0.000 1.054 447 T CA -0.565 61.546 62.100 0.018 0.000 1.015 447 T CB 1.584 70.463 68.868 0.018 0.000 1.167 447 T HN 1.083 nan 8.240 nan 0.000 0.526 448 G N 0.035 108.848 108.800 0.021 0.000 2.203 448 G HA2 -0.210 3.748 3.960 -0.002 0.000 0.263 448 G HA3 -0.210 3.748 3.960 -0.002 0.000 0.263 448 G C 0.103 175.025 174.900 0.036 0.000 1.012 448 G CA 0.077 45.215 45.100 0.063 0.000 0.749 448 G HN 1.128 nan 8.290 nan 0.000 0.512 449 V N 1.074 120.888 119.914 -0.167 0.000 2.529 449 V HA 0.421 4.540 4.120 -0.002 0.000 0.292 449 V C 0.959 177.005 176.094 -0.080 0.000 1.028 449 V CA 0.772 62.831 62.300 -0.402 0.000 1.074 449 V CB 1.200 32.722 31.823 -0.502 0.000 0.958 449 V HN 0.357 nan 8.190 nan 0.000 0.481 450 T N 4.450 119.050 114.554 0.077 0.000 2.855 450 T HA 0.751 5.099 4.350 -0.002 0.000 0.281 450 T C -0.125 174.629 174.700 0.091 0.000 1.007 450 T CA -0.311 61.859 62.100 0.117 0.000 1.009 450 T CB 1.686 70.660 68.868 0.178 0.000 0.983 450 T HN 0.954 nan 8.240 nan 0.000 0.455 451 A N 1.152 124.009 122.820 0.063 0.000 2.398 451 A HA 0.780 5.099 4.320 -0.002 0.000 0.301 451 A C 1.009 178.623 177.584 0.051 0.000 1.041 451 A CA -0.503 51.565 52.037 0.053 0.000 0.711 451 A CB 1.076 20.098 19.000 0.035 0.000 1.240 451 A HN 0.913 nan 8.150 nan 0.000 0.420 452 A N 1.213 124.063 122.820 0.050 0.000 1.969 452 A HA 0.333 4.652 4.320 -0.002 0.000 0.218 452 A C 1.281 178.891 177.584 0.043 0.000 1.169 452 A CA 1.912 53.977 52.037 0.046 0.000 0.635 452 A CB -0.202 18.825 19.000 0.045 0.000 0.810 452 A HN 1.670 nan 8.150 nan 0.000 0.445 453 S N -2.055 113.669 115.700 0.041 0.000 2.564 453 S HA 0.485 4.954 4.470 -0.002 0.000 0.274 453 S C -0.338 174.284 174.600 0.036 0.000 1.124 453 S CA -0.405 57.819 58.200 0.041 0.000 0.869 453 S CB 1.222 64.447 63.200 0.041 0.000 1.105 453 S HN 0.218 nan 8.310 nan 0.000 0.472 454 T N 2.955 117.532 114.554 0.037 0.000 2.908 454 T HA 0.553 4.902 4.350 -0.002 0.000 0.301 454 T C 0.603 175.314 174.700 0.018 0.000 1.019 454 T CA 0.955 63.073 62.100 0.029 0.000 1.152 454 T CB 0.079 68.970 68.868 0.038 0.000 0.966 454 T HN 1.274 nan 8.240 nan 0.000 0.540 455 G N 1.618 110.422 108.800 0.006 0.000 2.356 455 G HA2 0.316 4.275 3.960 -0.002 0.000 0.288 455 G HA3 0.316 4.275 3.960 -0.002 0.000 0.288 455 G C -1.922 172.975 174.900 -0.004 0.000 1.302 455 G CA -1.120 43.978 45.100 -0.003 0.000 0.887 455 G HN 0.705 nan 8.290 nan 0.000 0.521 456 L N 1.250 122.470 121.223 -0.005 0.000 2.371 456 L HA 0.614 4.953 4.340 -0.002 0.000 0.272 456 L C 0.175 177.048 176.870 0.004 0.000 1.124 456 L CA -0.455 54.383 54.840 -0.003 0.000 0.816 456 L CB 0.887 42.943 42.059 -0.005 0.000 1.129 456 L HN 0.598 nan 8.230 nan 0.000 0.448 457 N N 2.560 121.261 118.700 0.001 0.000 2.262 457 N HA 0.431 5.169 4.740 -0.002 0.000 0.295 457 N C -1.564 173.945 175.510 -0.002 0.000 1.161 457 N CA -0.608 52.445 53.050 0.004 0.000 0.767 457 N CB 2.441 40.930 38.487 0.003 0.000 1.499 457 N HN 0.233 nan 8.380 nan 0.000 0.476 458 V N 1.915 121.830 119.914 0.002 0.000 2.432 458 V HA 0.314 4.433 4.120 -0.002 0.000 0.275 458 V C 0.052 176.140 176.094 -0.010 0.000 1.043 458 V CA -0.510 61.787 62.300 -0.004 0.000 0.925 458 V CB 1.375 33.198 31.823 0.001 0.000 0.985 458 V HN 0.322 nan 8.190 nan 0.000 0.466 459 V N 4.226 124.123 119.914 -0.028 0.000 2.409 459 V HA 0.437 4.556 4.120 -0.002 0.000 0.291 459 V C -0.635 175.436 176.094 -0.038 0.000 1.020 459 V CA -0.776 61.499 62.300 -0.041 0.000 0.848 459 V CB 1.867 33.644 31.823 -0.077 0.000 0.990 459 V HN 0.805 nan 8.190 nan 0.000 0.430 460 D N 3.841 124.230 120.400 -0.019 0.000 2.329 460 D HA 0.376 5.014 4.640 -0.002 0.000 0.232 460 D C -0.404 175.902 176.300 0.011 0.000 1.088 460 D CA -0.120 53.883 54.000 0.004 0.000 0.835 460 D CB 2.242 43.053 40.800 0.019 0.000 1.078 460 D HN 0.246 nan 8.370 nan 0.000 0.495 461 V N 2.081 122.025 119.914 0.049 0.000 2.333 461 V HA 0.461 4.579 4.120 -0.002 0.000 0.274 461 V C 0.577 176.823 176.094 0.253 0.000 1.028 461 V CA -0.871 61.487 62.300 0.097 0.000 0.851 461 V CB 1.060 32.961 31.823 0.129 0.000 1.000 461 V HN 0.633 nan 8.190 nan 0.000 0.456 462 A N 6.190 129.126 122.820 0.194 0.000 2.363 462 A HA 0.780 5.098 4.320 -0.002 0.000 0.270 462 A C -0.626 177.141 177.584 0.304 0.000 1.121 462 A CA -0.084 52.079 52.037 0.211 0.000 0.800 462 A CB 0.210 19.275 19.000 0.109 0.000 1.052 462 A HN 1.275 nan 8.150 nan 0.000 0.493 463 Y N -1.214 119.129 120.300 0.072 0.000 2.713 463 Y HA 0.697 5.245 4.550 -0.003 0.000 0.335 463 Y C -0.784 175.128 175.900 0.020 0.000 1.222 463 Y CA -0.995 57.118 58.100 0.021 0.000 1.061 463 Y CB 0.627 39.069 38.460 -0.029 0.000 1.314 463 Y HN 0.429 nan 8.280 nan 0.000 0.453 464 T N 3.078 117.589 114.554 -0.073 0.000 2.812 464 T HA 0.359 4.708 4.350 -0.002 0.000 0.282 464 T C -1.439 173.304 174.700 0.071 0.000 0.990 464 T CA -0.657 61.358 62.100 -0.142 0.000 0.960 464 T CB 0.807 69.632 68.868 -0.072 0.000 0.948 464 T HN 0.661 nan 8.240 nan 0.000 0.438 465 N N 2.814 121.562 118.700 0.080 0.000 2.746 465 N HA 0.188 4.927 4.740 -0.002 0.000 0.250 465 N C -0.569 174.991 175.510 0.084 0.000 1.146 465 N CA -0.554 52.600 53.050 0.173 0.000 0.828 465 N CB 0.537 39.240 38.487 0.360 0.000 1.158 465 N HN 0.366 nan 8.380 nan 0.000 0.519 466 N N 1.914 120.640 118.700 0.044 0.000 2.802 466 N HA 0.090 4.828 4.740 -0.002 0.000 0.288 466 N C -0.742 174.787 175.510 0.032 0.000 1.268 466 N CA -0.033 53.032 53.050 0.024 0.000 1.035 466 N CB 0.018 38.510 38.487 0.007 0.000 1.353 466 N HN 0.617 nan 8.380 nan 0.000 0.522 467 T N -4.282 110.301 114.554 0.048 0.000 2.858 467 T HA 0.345 4.694 4.350 -0.002 0.000 0.285 467 T C 1.060 175.790 174.700 0.050 0.000 1.052 467 T CA -0.352 61.775 62.100 0.045 0.000 1.009 467 T CB 0.809 69.706 68.868 0.048 0.000 1.241 467 T HN 0.026 nan 8.240 nan 0.000 0.542 468 S N -0.252 115.474 115.700 0.044 0.000 2.558 468 S HA 0.278 4.746 4.470 -0.002 0.000 0.217 468 S C 0.550 175.181 174.600 0.052 0.000 0.975 468 S CA -0.394 57.832 58.200 0.043 0.000 0.912 468 S CB -0.298 62.922 63.200 0.033 0.000 0.776 468 S HN 0.664 nan 8.310 nan 0.000 0.526 469 S N 1.179 116.915 115.700 0.060 0.000 2.568 469 S HA 0.788 5.257 4.470 -0.002 0.000 0.293 469 S C -0.127 174.526 174.600 0.088 0.000 1.089 469 S CA -0.696 57.545 58.200 0.067 0.000 0.945 469 S CB 1.629 64.865 63.200 0.059 0.000 1.077 469 S HN 0.601 nan 8.310 nan 0.000 0.485 470 A N 2.324 125.198 122.820 0.091 0.000 2.520 470 A HA 0.429 4.748 4.320 -0.002 0.000 0.235 470 A C 0.227 177.882 177.584 0.120 0.000 1.065 470 A CA 0.207 52.312 52.037 0.112 0.000 0.764 470 A CB 0.068 19.117 19.000 0.082 0.000 1.002 470 A HN 0.767 nan 8.150 nan 0.000 0.502 471 R N 0.109 120.703 120.500 0.158 0.000 2.740 471 R HA 0.598 4.936 4.340 -0.002 0.000 0.282 471 R C -0.375 176.067 176.300 0.237 0.000 0.969 471 R CA -0.343 55.848 56.100 0.152 0.000 0.918 471 R CB 2.084 32.447 30.300 0.105 0.000 1.175 471 R HN 0.853 nan 8.270 nan 0.000 0.464 472 T N -1.212 113.460 114.554 0.197 0.000 2.925 472 T HA 0.826 5.175 4.350 -0.002 0.000 0.285 472 T C -0.343 174.490 174.700 0.223 0.000 1.021 472 T CA -0.836 61.405 62.100 0.235 0.000 1.042 472 T CB 1.988 70.959 68.868 0.172 0.000 1.037 472 T HN 0.619 nan 8.240 nan 0.000 0.481 473 A N 1.402 124.389 122.820 0.279 0.000 2.454 473 A HA 0.746 5.065 4.320 -0.002 0.000 0.302 473 A C 0.038 177.701 177.584 0.131 0.000 1.079 473 A CA -0.965 51.193 52.037 0.201 0.000 0.731 473 A CB 1.368 20.539 19.000 0.285 0.000 1.299 473 A HN 0.848 nan 8.150 nan 0.000 0.413 474 T N 1.736 116.336 114.554 0.077 0.000 2.780 474 T HA 0.449 4.798 4.350 -0.002 0.000 0.294 474 T C -0.409 174.319 174.700 0.047 0.000 0.949 474 T CA 0.171 62.297 62.100 0.043 0.000 1.074 474 T CB 0.384 69.264 68.868 0.021 0.000 0.910 474 T HN 0.595 nan 8.240 nan 0.000 0.501 475 L N 3.824 125.062 121.223 0.024 0.000 2.307 475 L HA 0.576 4.914 4.340 -0.002 0.000 0.284 475 L C -0.461 176.412 176.870 0.004 0.000 1.023 475 L CA -0.304 54.545 54.840 0.014 0.000 0.810 475 L CB 1.640 43.680 42.059 -0.031 0.000 1.231 475 L HN 0.645 nan 8.230 nan 0.000 0.423 476 Q N 3.778 123.587 119.800 0.014 0.000 2.292 476 Q HA 0.572 4.911 4.340 -0.002 0.000 0.270 476 Q C -1.903 174.105 176.000 0.013 0.000 1.024 476 Q CA -0.765 55.044 55.803 0.011 0.000 0.768 476 Q CB 2.110 30.858 28.738 0.016 0.000 1.250 476 Q HN 0.609 nan 8.270 nan 0.000 0.447 477 V N 5.474 125.392 119.914 0.007 0.000 2.383 477 V HA 0.265 4.384 4.120 -0.002 0.000 0.275 477 V C 0.361 176.464 176.094 0.016 0.000 1.036 477 V CA -0.457 61.846 62.300 0.005 0.000 0.889 477 V CB 0.839 32.658 31.823 -0.006 0.000 0.985 477 V HN 1.001 nan 8.190 nan 0.000 0.459 478 N N 4.266 122.978 118.700 0.019 0.000 1.129 478 N HA -0.244 4.495 4.740 -0.002 0.000 0.117 478 N C 1.290 176.826 175.510 0.042 0.000 0.722 478 N CA 1.942 55.011 53.050 0.031 0.000 0.850 478 N CB -1.075 37.434 38.487 0.036 0.000 1.124 478 N HN 0.920 nan 8.380 nan 0.000 0.607 479 G N 0.582 109.420 108.800 0.062 0.000 3.523 479 G HA2 0.195 4.153 3.960 -0.002 0.000 0.270 479 G HA3 0.195 4.153 3.960 -0.002 0.000 0.270 479 G C 0.346 175.297 174.900 0.085 0.000 1.134 479 G CA -0.020 45.130 45.100 0.083 0.000 0.825 479 G HN 0.405 nan 8.290 nan 0.000 0.534 480 Q N 0.273 120.104 119.800 0.051 0.000 2.535 480 Q HA 0.229 4.567 4.340 -0.002 0.000 0.228 480 Q C 0.176 176.178 176.000 0.003 0.000 1.062 480 Q CA 0.027 55.844 55.803 0.023 0.000 0.967 480 Q CB 0.399 29.144 28.738 0.011 0.000 1.273 480 Q HN 0.097 nan 8.270 nan 0.000 0.554 481 T N 1.367 115.902 114.554 -0.031 0.000 2.934 481 T HA 0.185 4.533 4.350 -0.002 0.000 0.306 481 T C -0.019 174.663 174.700 -0.030 0.000 1.042 481 T CA -0.195 61.877 62.100 -0.047 0.000 1.145 481 T CB 0.380 69.197 68.868 -0.084 0.000 0.982 481 T HN 0.594 nan 8.240 nan 0.000 0.544 482 A N 3.174 125.977 122.820 -0.029 0.000 2.313 482 A HA 0.631 4.950 4.320 -0.002 0.000 0.261 482 A C 0.657 178.220 177.584 -0.035 0.000 1.090 482 A CA -0.405 51.619 52.037 -0.022 0.000 0.807 482 A CB 0.652 19.643 19.000 -0.015 0.000 1.055 482 A HN 0.768 nan 8.150 nan 0.000 0.492 483 T N -0.723 113.819 114.554 -0.019 0.000 2.883 483 T HA 0.617 4.965 4.350 -0.002 0.000 0.296 483 T C -0.478 174.222 174.700 0.000 0.000 1.117 483 T CA -0.300 61.794 62.100 -0.009 0.000 1.006 483 T CB 1.337 70.263 68.868 0.096 0.000 1.191 483 T HN 0.651 nan 8.240 nan 0.000 0.508 484 T N 2.144 116.695 114.554 -0.006 0.000 2.829 484 T HA 0.647 4.996 4.350 -0.002 0.000 0.282 484 T C -0.720 174.089 174.700 0.181 0.000 0.990 484 T CA -0.456 61.652 62.100 0.013 0.000 1.028 484 T CB 1.162 69.959 68.868 -0.119 0.000 0.951 484 T HN 0.444 nan 8.240 nan 0.000 0.460 485 V N 2.385 122.364 119.914 0.109 0.000 2.540 485 V HA 0.585 4.704 4.120 -0.002 0.000 0.302 485 V C 0.078 176.122 176.094 -0.084 0.000 1.035 485 V CA -0.805 61.474 62.300 -0.036 0.000 0.873 485 V CB 1.998 33.605 31.823 -0.359 0.000 0.992 485 V HN 0.890 nan 8.190 nan 0.000 0.428 486 S N 3.793 119.402 115.700 -0.152 0.000 2.489 486 S HA 0.743 5.211 4.470 -0.002 0.000 0.291 486 S C -1.085 173.226 174.600 -0.483 0.000 1.151 486 S CA -0.362 57.731 58.200 -0.178 0.000 1.082 486 S CB 0.391 63.502 63.200 -0.148 0.000 1.019 486 S HN 0.425 nan 8.310 nan 0.000 0.492 487 F N 5.389 125.247 119.950 -0.154 0.000 2.359 487 F HA 0.407 4.932 4.527 -0.002 0.000 0.369 487 F C -2.142 173.643 175.800 -0.025 0.000 1.084 487 F CA -1.971 55.844 58.000 -0.308 0.000 1.096 487 F CB 1.384 40.026 39.000 -0.598 0.000 1.335 487 F HN 0.378 nan 8.300 nan 0.000 0.457 488 P HA 0.117 nan 4.420 nan 0.000 0.271 488 P C -2.548 174.921 177.300 0.282 0.000 1.233 488 P CA -1.188 62.027 63.100 0.192 0.000 0.789 488 P CB 0.111 31.890 31.700 0.132 0.000 0.951 489 P HA -0.026 nan 4.420 nan 0.000 0.265 489 P C 0.713 178.079 177.300 0.110 0.000 1.187 489 P CA 0.721 63.907 63.100 0.144 0.000 0.766 489 P CB 0.103 31.856 31.700 0.088 0.000 0.820 490 T N -0.473 114.113 114.554 0.055 0.000 2.971 490 T HA 0.427 4.776 4.350 -0.002 0.000 0.252 490 T C 0.925 175.605 174.700 -0.034 0.000 1.022 490 T CA 0.403 62.479 62.100 -0.039 0.000 0.980 490 T CB -0.507 68.240 68.868 -0.202 0.000 1.044 490 T HN 0.658 nan 8.240 nan 0.000 0.501 491 G N 1.207 110.001 108.800 -0.010 0.000 2.642 491 G HA2 0.068 4.027 3.960 -0.002 0.000 0.231 491 G HA3 0.068 4.027 3.960 -0.002 0.000 0.231 491 G C 0.931 175.815 174.900 -0.026 0.000 1.338 491 G CA -0.095 44.998 45.100 -0.012 0.000 0.883 491 G HN 1.059 nan 8.290 nan 0.000 0.570 492 A N -0.532 122.275 122.820 -0.023 0.000 2.067 492 A HA 0.501 4.820 4.320 -0.002 0.000 0.217 492 A C 1.857 179.418 177.584 -0.038 0.000 1.156 492 A CA 2.341 54.364 52.037 -0.024 0.000 0.683 492 A CB -0.657 18.334 19.000 -0.016 0.000 0.808 492 A HN 2.408 nan 8.150 nan 0.000 0.455 493 S N -1.015 114.655 115.700 -0.049 0.000 2.654 493 S HA 0.741 5.210 4.470 -0.002 0.000 0.283 493 S C 0.186 174.722 174.600 -0.106 0.000 1.180 493 S CA -0.297 57.867 58.200 -0.060 0.000 1.021 493 S CB 1.401 64.574 63.200 -0.046 0.000 1.018 493 S HN 0.922 nan 8.310 nan 0.000 0.532 494 A N 0.976 123.729 122.820 -0.111 0.000 2.346 494 A HA 0.736 5.055 4.320 -0.002 0.000 0.252 494 A C 0.687 178.153 177.584 -0.198 0.000 1.089 494 A CA 0.067 51.996 52.037 -0.180 0.000 0.797 494 A CB -0.412 18.522 19.000 -0.110 0.000 1.047 494 A HN 1.551 nan 8.150 nan 0.000 0.494 495 G N -1.262 107.348 108.800 -0.318 0.000 2.721 495 G HA2 0.658 4.617 3.960 -0.002 0.000 0.296 495 G HA3 0.658 4.617 3.960 -0.002 0.000 0.296 495 G C -0.609 174.240 174.900 -0.085 0.000 1.383 495 G CA 0.219 45.204 45.100 -0.192 0.000 0.788 495 G HN 1.386 nan 8.290 nan 0.000 0.500 496 T N -2.171 112.432 114.554 0.082 0.000 2.908 496 T HA 0.750 5.099 4.350 -0.002 0.000 0.290 496 T C -0.045 174.825 174.700 0.283 0.000 1.034 496 T CA -0.388 61.849 62.100 0.229 0.000 1.010 496 T CB 1.421 70.360 68.868 0.118 0.000 1.068 496 T HN 1.512 nan 8.240 nan 0.000 0.481 497 V N -0.462 119.618 119.914 0.276 0.000 2.881 497 V HA 0.900 5.019 4.120 -0.002 0.000 0.316 497 V C -0.237 175.851 176.094 -0.010 0.000 1.070 497 V CA -0.894 61.442 62.300 0.059 0.000 0.976 497 V CB 1.666 33.403 31.823 -0.145 0.000 1.038 497 V HN 1.040 nan 8.190 nan 0.000 0.446 498 S N 1.134 116.806 115.700 -0.046 0.000 2.532 498 S HA 0.872 5.341 4.470 -0.002 0.000 0.301 498 S C -0.371 174.179 174.600 -0.083 0.000 1.083 498 S CA -0.460 57.711 58.200 -0.048 0.000 1.025 498 S CB 1.641 64.831 63.200 -0.018 0.000 1.056 498 S HN 1.550 nan 8.310 nan 0.000 0.494 499 V N -0.032 119.825 119.914 -0.094 0.000 2.962 499 V HA 0.671 4.789 4.120 -0.002 0.000 0.313 499 V C -0.925 175.143 176.094 -0.043 0.000 1.099 499 V CA -1.021 61.215 62.300 -0.107 0.000 0.971 499 V CB 1.766 33.422 31.823 -0.278 0.000 1.028 499 V HN 0.830 nan 8.190 nan 0.000 0.430 500 E N 1.667 121.872 120.200 0.009 0.000 2.197 500 E HA 0.667 5.016 4.350 -0.002 0.000 0.281 500 E C -0.665 175.939 176.600 0.007 0.000 0.995 500 E CA -0.654 55.752 56.400 0.010 0.000 0.808 500 E CB 2.144 31.858 29.700 0.023 0.000 1.093 500 E HN 0.953 nan 8.360 nan 0.000 0.394 501 V N -0.344 119.564 119.914 -0.010 0.000 2.962 501 V HA 0.626 4.744 4.120 -0.002 0.000 0.313 501 V C -0.447 175.641 176.094 -0.009 0.000 1.099 501 V CA -0.901 61.391 62.300 -0.013 0.000 0.971 501 V CB 2.028 33.830 31.823 -0.034 0.000 1.028 501 V HN 0.520 nan 8.190 nan 0.000 0.430 502 S N 2.971 118.667 115.700 -0.007 0.000 2.442 502 S HA 0.799 5.268 4.470 -0.002 0.000 0.297 502 S C -0.678 173.917 174.600 -0.008 0.000 1.131 502 S CA -0.580 57.614 58.200 -0.010 0.000 1.092 502 S CB 0.178 63.369 63.200 -0.015 0.000 0.998 502 S HN 0.709 nan 8.310 nan 0.000 0.478 503 L N 3.192 124.412 121.223 -0.005 0.000 2.333 503 L HA 0.540 4.878 4.340 -0.002 0.000 0.269 503 L C 0.093 176.969 176.870 0.010 0.000 1.010 503 L CA -0.899 53.940 54.840 -0.000 0.000 0.818 503 L CB 2.275 44.332 42.059 -0.004 0.000 1.306 503 L HN 0.512 nan 8.230 nan 0.000 0.430 504 S N 0.827 116.538 115.700 0.018 0.000 2.562 504 S HA 0.182 4.651 4.470 -0.002 0.000 0.275 504 S C -0.167 174.452 174.600 0.032 0.000 1.281 504 S CA -0.551 57.668 58.200 0.031 0.000 1.045 504 S CB 1.161 64.385 63.200 0.039 0.000 0.962 504 S HN 0.423 nan 8.310 nan 0.000 0.503 505 K N 1.583 122.006 120.400 0.039 0.000 2.511 505 K HA 0.302 4.620 4.320 -0.002 0.000 0.280 505 K C 0.718 177.342 176.600 0.041 0.000 1.008 505 K CA 0.958 57.270 56.287 0.041 0.000 1.050 505 K CB -0.392 32.134 32.500 0.045 0.000 0.889 505 K HN 0.888 nan 8.250 nan 0.000 0.484 506 G N 1.614 110.439 108.800 0.042 0.000 2.352 506 G HA2 -0.176 3.782 3.960 -0.002 0.000 0.324 506 G HA3 -0.176 3.782 3.960 -0.002 0.000 0.324 506 G C -0.381 174.546 174.900 0.046 0.000 1.249 506 G CA -0.170 44.956 45.100 0.043 0.000 1.053 506 G HN 0.809 nan 8.290 nan 0.000 0.492 507 S N -1.441 114.287 115.700 0.047 0.000 2.711 507 S HA 0.638 5.107 4.470 -0.002 0.000 0.247 507 S C 0.931 175.554 174.600 0.039 0.000 1.079 507 S CA 0.971 59.204 58.200 0.054 0.000 1.050 507 S CB 0.994 64.240 63.200 0.077 0.000 0.885 507 S HN 2.159 nan 8.310 nan 0.000 0.498 508 A N 1.448 124.285 122.820 0.028 0.000 2.500 508 A HA 0.366 4.685 4.320 -0.002 0.000 0.267 508 A C 0.333 177.924 177.584 0.010 0.000 1.290 508 A CA -0.608 51.442 52.037 0.022 0.000 0.928 508 A CB -0.081 18.934 19.000 0.026 0.000 1.066 508 A HN 0.507 nan 8.150 nan 0.000 0.516 509 N N 0.950 119.647 118.700 -0.006 0.000 2.514 509 N HA 0.270 5.008 4.740 -0.002 0.000 0.277 509 N C -0.730 174.759 175.510 -0.035 0.000 1.126 509 N CA 0.645 53.682 53.050 -0.021 0.000 0.978 509 N CB 1.093 39.556 38.487 -0.040 0.000 1.106 509 N HN 0.108 nan 8.380 nan 0.000 0.461 510 T N 2.005 116.550 114.554 -0.015 0.000 2.841 510 T HA 0.457 4.806 4.350 -0.002 0.000 0.283 510 T C -0.347 174.359 174.700 0.010 0.000 1.000 510 T CA -0.513 61.587 62.100 -0.000 0.000 0.977 510 T CB 1.241 70.116 68.868 0.013 0.000 0.979 510 T HN 0.130 nan 8.240 nan 0.000 0.446 511 L N 2.910 124.159 121.223 0.042 0.000 2.316 511 L HA 0.726 5.065 4.340 -0.002 0.000 0.280 511 L C -0.034 176.910 176.870 0.124 0.000 1.006 511 L CA -0.421 54.457 54.840 0.063 0.000 0.836 511 L CB 1.271 43.350 42.059 0.032 0.000 1.221 511 L HN 0.828 nan 8.230 nan 0.000 0.418 512 A N 5.188 128.054 122.820 0.077 0.000 2.303 512 A HA 0.852 5.170 4.320 -0.002 0.000 0.320 512 A C -0.863 176.764 177.584 0.071 0.000 1.192 512 A CA -0.421 51.657 52.037 0.068 0.000 0.821 512 A CB 0.578 19.599 19.000 0.035 0.000 1.188 512 A HN 0.606 nan 8.150 nan 0.000 0.492 513 L N 1.917 123.191 121.223 0.085 0.000 2.317 513 L HA 0.564 4.902 4.340 -0.002 0.000 0.281 513 L C 0.050 176.946 176.870 0.044 0.000 1.024 513 L CA -0.228 54.660 54.840 0.081 0.000 0.810 513 L CB 2.196 44.327 42.059 0.120 0.000 1.240 513 L HN 0.635 nan 8.230 nan 0.000 0.427 514 S N 1.451 117.175 115.700 0.040 0.000 2.519 514 S HA 0.832 5.301 4.470 -0.002 0.000 0.309 514 S C 0.128 174.743 174.600 0.025 0.000 1.100 514 S CA -0.253 57.961 58.200 0.022 0.000 1.059 514 S CB 1.752 64.963 63.200 0.018 0.000 1.008 514 S HN 1.062 nan 8.310 nan 0.000 0.478 515 G N 1.839 110.644 108.800 0.009 0.000 2.828 515 G HA2 0.380 4.339 3.960 -0.002 0.000 0.463 515 G HA3 0.380 4.339 3.960 -0.002 0.000 0.463 515 G C 0.292 175.184 174.900 -0.012 0.000 1.394 515 G CA -0.336 44.768 45.100 0.006 0.000 0.862 515 G HN 1.995 nan 8.290 nan 0.000 0.540 516 G N -0.679 108.110 108.800 -0.019 0.000 2.741 516 G HA2 0.292 4.250 3.960 -0.002 0.000 0.222 516 G HA3 0.292 4.250 3.960 -0.002 0.000 0.222 516 G C -1.456 173.345 174.900 -0.166 0.000 1.364 516 G CA 0.649 45.700 45.100 -0.081 0.000 0.866 516 G HN 1.704 nan 8.290 nan 0.000 0.555 517 P HA 0.505 nan 4.420 nan 0.000 0.272 517 P C 0.208 177.377 177.300 -0.218 0.000 1.223 517 P CA 0.557 63.520 63.100 -0.227 0.000 0.784 517 P CB 0.648 32.206 31.700 -0.235 0.000 0.923 518 A N 2.328 125.092 122.820 -0.094 0.000 2.524 518 A HA 0.365 4.683 4.320 -0.002 0.000 0.250 518 A C 0.917 178.491 177.584 -0.018 0.000 1.078 518 A CA 0.152 52.160 52.037 -0.050 0.000 0.761 518 A CB -0.835 18.155 19.000 -0.018 0.000 1.012 518 A HN 0.652 nan 8.150 nan 0.000 0.500 519 T N 0.278 114.846 114.554 0.024 0.000 2.922 519 T HA 0.564 4.913 4.350 -0.002 0.000 0.285 519 T C -0.009 174.803 174.700 0.186 0.000 1.005 519 T CA -0.542 61.640 62.100 0.136 0.000 1.061 519 T CB 1.269 70.266 68.868 0.214 0.000 1.007 519 T HN 0.621 nan 8.240 nan 0.000 0.502 520 E N 0.504 120.824 120.200 0.200 0.000 2.789 520 E HA 0.493 4.842 4.350 -0.002 0.000 0.208 520 E C 0.414 177.130 176.600 0.193 0.000 0.988 520 E CA -0.774 55.721 56.400 0.159 0.000 1.092 520 E CB 0.538 30.293 29.700 0.091 0.000 1.066 520 E HN 1.138 nan 8.360 nan 0.000 0.465 521 G N 1.687 110.671 108.800 0.306 0.000 2.375 521 G HA2 0.066 4.025 3.960 -0.002 0.000 0.663 521 G HA3 0.066 4.025 3.960 -0.002 0.000 0.663 521 G C -1.061 173.847 174.900 0.014 0.000 1.391 521 G CA -0.831 44.422 45.100 0.255 0.000 0.949 521 G HN 0.201 nan 8.290 nan 0.000 0.646 522 I N -2.201 118.316 120.570 -0.090 0.000 2.730 522 I HA 0.899 5.067 4.170 -0.002 0.000 0.298 522 I C -0.367 175.772 176.117 0.036 0.000 1.089 522 I CA -1.024 60.184 61.300 -0.153 0.000 1.041 522 I CB 2.588 40.312 38.000 -0.460 0.000 1.235 522 I HN 0.503 nan 8.210 nan 0.000 0.423 523 T N 4.297 118.869 114.554 0.029 0.000 2.807 523 T HA 0.601 4.950 4.350 -0.002 0.000 0.279 523 T C -0.478 174.261 174.700 0.065 0.000 0.993 523 T CA -0.493 61.647 62.100 0.066 0.000 0.970 523 T CB 1.887 70.775 68.868 0.033 0.000 0.950 523 T HN 0.433 nan 8.240 nan 0.000 0.441 524 V N 4.534 124.521 119.914 0.121 0.000 2.409 524 V HA 0.580 4.699 4.120 -0.002 0.000 0.291 524 V C -0.065 176.076 176.094 0.078 0.000 1.020 524 V CA -0.867 61.489 62.300 0.093 0.000 0.848 524 V CB 1.527 33.431 31.823 0.134 0.000 0.990 524 V HN 0.729 nan 8.190 nan 0.000 0.430 525 R N 5.439 125.965 120.500 0.044 0.000 2.628 525 R HA 0.540 4.878 4.340 -0.002 0.000 0.288 525 R C -2.860 173.459 176.300 0.030 0.000 0.980 525 R CA -1.756 54.366 56.100 0.037 0.000 0.891 525 R CB 3.052 33.367 30.300 0.025 0.000 1.188 525 R HN 0.436 nan 8.270 nan 0.000 0.450 526 P HA 0.163 nan 4.420 nan 0.000 0.276 526 P C -0.705 176.611 177.300 0.027 0.000 1.244 526 P CA -0.325 62.793 63.100 0.030 0.000 0.801 526 P CB 1.018 32.740 31.700 0.036 0.000 1.006 527 L N 3.398 124.635 121.223 0.024 0.000 2.371 527 L HA 0.270 4.608 4.340 -0.002 0.000 0.262 527 L C -1.665 175.222 176.870 0.028 0.000 1.054 527 L CA -1.846 53.010 54.840 0.026 0.000 0.924 527 L CB 1.508 43.579 42.059 0.020 0.000 1.295 527 L HN 0.162 nan 8.230 nan 0.000 0.441 528 P HA -0.114 nan 4.420 nan 0.000 0.222 528 P C 1.645 178.964 177.300 0.032 0.000 1.147 528 P CA 0.797 63.919 63.100 0.037 0.000 0.790 528 P CB 0.347 32.075 31.700 0.046 0.000 0.780 529 G N -0.289 108.530 108.800 0.032 0.000 2.462 529 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.220 529 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.220 529 G C 1.336 176.239 174.900 0.004 0.000 1.121 529 G CA 1.579 46.691 45.100 0.019 0.000 0.758 529 G HN 0.394 nan 8.290 nan 0.000 0.559 530 T N -1.618 112.940 114.554 0.006 0.000 3.144 530 T HA 0.166 4.514 4.350 -0.002 0.000 0.249 530 T C 0.703 175.402 174.700 -0.001 0.000 1.089 530 T CA -0.592 61.505 62.100 -0.005 0.000 0.989 530 T CB -0.120 68.743 68.868 -0.007 0.000 0.992 530 T HN -0.021 nan 8.240 nan 0.000 0.540 531 N N 2.119 120.827 118.700 0.013 0.000 2.412 531 N HA 0.451 5.190 4.740 -0.002 0.000 0.254 531 N C 0.547 176.074 175.510 0.027 0.000 1.232 531 N CA 0.705 53.769 53.050 0.023 0.000 0.880 531 N CB 0.922 39.430 38.487 0.035 0.000 1.076 531 N HN 0.634 nan 8.380 nan 0.000 0.458 532 G N -0.817 108.000 108.800 0.029 0.000 3.166 532 G HA2 0.839 4.798 3.960 -0.002 0.000 0.267 532 G HA3 0.839 4.798 3.960 -0.002 0.000 0.267 532 G C -1.698 173.243 174.900 0.069 0.000 1.256 532 G CA -0.196 44.933 45.100 0.048 0.000 0.859 532 G HN 0.699 nan 8.290 nan 0.000 0.590 533 A N -1.039 121.840 122.820 0.099 0.000 2.589 533 A HA 0.674 4.992 4.320 -0.002 0.000 0.296 533 A C -0.919 176.761 177.584 0.160 0.000 1.062 533 A CA -0.590 51.511 52.037 0.107 0.000 0.686 533 A CB 0.905 19.962 19.000 0.095 0.000 1.282 533 A HN 0.714 nan 8.150 nan 0.000 0.404 534 L N 1.031 122.336 121.223 0.137 0.000 2.439 534 L HA 0.399 4.738 4.340 -0.002 0.000 0.269 534 L C -0.376 176.596 176.870 0.170 0.000 1.179 534 L CA -0.517 54.432 54.840 0.183 0.000 0.828 534 L CB 1.058 43.200 42.059 0.137 0.000 1.106 534 L HN 0.414 nan 8.230 nan 0.000 0.467 535 V N 1.963 121.987 119.914 0.184 0.000 2.293 535 V HA 0.242 4.361 4.120 -0.002 0.000 0.275 535 V C -0.034 176.198 176.094 0.230 0.000 1.021 535 V CA -0.401 61.935 62.300 0.059 0.000 0.815 535 V CB 1.196 32.833 31.823 -0.310 0.000 1.025 535 V HN 0.785 nan 8.190 nan 0.000 0.448 536 T N 3.528 118.252 114.554 0.283 0.000 2.771 536 T HA 0.496 4.844 4.350 -0.002 0.000 0.281 536 T C 0.651 175.517 174.700 0.277 0.000 0.982 536 T CA -0.347 61.919 62.100 0.275 0.000 0.978 536 T CB 1.532 70.486 68.868 0.144 0.000 0.930 536 T HN 0.780 nan 8.240 nan 0.000 0.447 537 G N 1.803 110.683 108.800 0.133 0.000 2.361 537 G HA2 0.174 4.132 3.960 -0.002 0.000 0.260 537 G HA3 0.174 4.132 3.960 -0.002 0.000 0.260 537 G C 0.938 175.649 174.900 -0.315 0.000 1.261 537 G CA -0.415 44.404 45.100 -0.469 0.000 0.897 537 G HN 0.812 nan 8.290 nan 0.000 0.499 538 K N 1.561 121.725 120.400 -0.393 0.000 2.009 538 K HA -0.205 4.113 4.320 -0.002 0.000 0.210 538 K C 2.270 178.752 176.600 -0.197 0.000 1.049 538 K CA 1.797 57.947 56.287 -0.230 0.000 0.929 538 K CB -0.134 32.235 32.500 -0.219 0.000 0.714 538 K HN 0.667 nan 8.250 nan 0.000 0.440 539 Q N 0.189 119.842 119.800 -0.246 0.000 2.084 539 Q HA -0.149 4.190 4.340 -0.002 0.000 0.202 539 Q C 1.902 177.818 176.000 -0.140 0.000 0.978 539 Q CA 2.195 57.891 55.803 -0.178 0.000 0.844 539 Q CB -0.024 28.601 28.738 -0.189 0.000 0.898 539 Q HN 0.486 nan 8.270 nan 0.000 0.426 540 S N -1.850 113.759 115.700 -0.152 0.000 2.458 540 S HA 0.163 4.631 4.470 -0.002 0.000 0.223 540 S C 1.466 176.026 174.600 -0.067 0.000 1.019 540 S CA 0.636 58.777 58.200 -0.098 0.000 0.937 540 S CB 0.256 63.407 63.200 -0.081 0.000 0.788 540 S HN 0.647 nan 8.310 nan 0.000 0.511 541 G N 1.577 110.338 108.800 -0.064 0.000 2.168 541 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.257 541 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.257 541 G C 0.091 174.999 174.900 0.013 0.000 0.997 541 G CA 0.366 45.451 45.100 -0.024 0.000 0.708 541 G HN 0.607 nan 8.290 nan 0.000 0.520 542 R N -1.388 119.130 120.500 0.029 0.000 2.758 542 R HA 0.666 5.005 4.340 -0.002 0.000 0.265 542 R C -0.162 176.247 176.300 0.182 0.000 1.016 542 R CA -0.475 55.678 56.100 0.087 0.000 1.040 542 R CB 1.378 31.714 30.300 0.060 0.000 1.152 542 R HN 0.198 nan 8.270 nan 0.000 0.503 543 c N 1.242 119.980 118.600 0.231 0.000 2.366 543 c HA 0.530 5.099 4.570 -0.002 0.000 0.345 543 c C 0.582 174.865 174.090 0.322 0.000 1.209 543 c CA -0.626 55.870 56.329 0.278 0.000 2.050 543 c CB 1.154 43.813 42.510 0.249 0.000 2.359 543 c HN 0.838 nan 8.230 nan 0.000 0.527 544 A N 2.817 125.807 122.820 0.284 0.000 2.492 544 A HA 0.435 4.753 4.320 -0.002 0.000 0.254 544 A C -0.042 177.815 177.584 0.456 0.000 1.091 544 A CA 0.596 52.764 52.037 0.219 0.000 0.768 544 A CB 0.035 18.905 19.000 -0.216 0.000 1.028 544 A HN 0.921 nan 8.150 nan 0.000 0.498 545 D N 2.256 122.888 120.400 0.387 0.000 2.857 545 D HA 0.386 5.024 4.640 -0.002 0.000 0.227 545 D C -1.385 175.074 176.300 0.265 0.000 1.192 545 D CA -0.414 53.771 54.000 0.308 0.000 0.857 545 D CB 1.294 42.287 40.800 0.321 0.000 1.645 545 D HN 0.249 nan 8.370 nan 0.000 0.482 546 I N 3.698 124.361 120.570 0.155 0.000 2.339 546 I HA 0.132 4.300 4.170 -0.002 0.000 0.290 546 I C -0.086 176.100 176.117 0.115 0.000 0.994 546 I CA -0.659 60.743 61.300 0.170 0.000 1.191 546 I CB 0.602 38.701 38.000 0.165 0.000 1.343 546 I HN 0.466 nan 8.210 nan 0.000 0.458 547 Y N 7.757 128.052 120.300 -0.009 0.000 2.865 547 Y HA -0.167 4.382 4.550 -0.002 0.000 0.338 547 Y C 1.515 177.351 175.900 -0.107 0.000 1.269 547 Y CA 1.259 59.278 58.100 -0.135 0.000 1.585 547 Y CB -0.088 38.318 38.460 -0.091 0.000 1.224 547 Y HN 0.801 nan 8.280 nan 0.000 0.554 548 N N 4.550 122.759 118.700 -0.817 0.000 2.714 548 N HA -0.384 4.355 4.740 -0.002 0.000 0.250 548 N C -0.579 174.793 175.510 -0.230 0.000 1.117 548 N CA 0.782 53.419 53.050 -0.688 0.000 0.719 548 N CB -0.844 37.080 38.487 -0.939 0.000 1.081 548 N HN 0.977 nan 8.380 nan 0.000 0.557 549 N N -1.273 117.395 118.700 -0.053 0.000 2.747 549 N HA -0.138 4.600 4.740 -0.002 0.000 0.249 549 N C -0.672 175.006 175.510 0.280 0.000 1.107 549 N CA 1.625 54.785 53.050 0.184 0.000 0.707 549 N CB -1.797 36.825 38.487 0.226 0.000 1.054 549 N HN 0.363 nan 8.380 nan 0.000 0.555 550 T N 1.018 115.693 114.554 0.202 0.000 2.918 550 T HA 0.342 4.690 4.350 -0.002 0.000 0.302 550 T C 1.981 176.814 174.700 0.221 0.000 1.045 550 T CA -0.085 62.148 62.100 0.222 0.000 1.114 550 T CB 0.930 69.898 68.868 0.167 0.000 0.965 550 T HN 0.382 nan 8.240 nan 0.000 0.540 551 I N -1.387 119.289 120.570 0.176 0.000 4.154 551 I HA 0.273 4.441 4.170 -0.002 0.000 0.334 551 I C 0.405 176.572 176.117 0.083 0.000 1.371 551 I CA -0.534 60.809 61.300 0.073 0.000 1.110 551 I CB 0.143 38.050 38.000 -0.155 0.000 1.085 551 I HN 0.340 nan 8.210 nan 0.000 0.398 552 T N 3.359 117.967 114.554 0.090 0.000 2.867 552 T HA 0.070 4.418 4.350 -0.002 0.000 0.297 552 T C 0.285 174.961 174.700 -0.041 0.000 0.989 552 T CA 0.063 62.174 62.100 0.019 0.000 1.159 552 T CB -0.134 68.753 68.868 0.031 0.000 0.928 552 T HN 0.250 nan 8.240 nan 0.000 0.538 553 N N 2.205 120.771 118.700 -0.224 0.000 2.294 553 N HA 0.168 4.906 4.740 -0.002 0.000 0.263 553 N C 1.426 176.833 175.510 -0.172 0.000 1.281 553 N CA 1.464 54.211 53.050 -0.506 0.000 0.846 553 N CB 0.326 37.991 38.487 -1.370 0.000 1.061 553 N HN 1.013 nan 8.380 nan 0.000 0.478 554 G N 1.004 109.936 108.800 0.220 0.000 2.176 554 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.232 554 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.232 554 G C 0.107 175.096 174.900 0.148 0.000 0.986 554 G CA 0.208 45.512 45.100 0.340 0.000 0.643 554 G HN 0.612 nan 8.290 nan 0.000 0.522 555 T N 1.503 116.145 114.554 0.146 0.000 2.817 555 T HA 0.390 4.738 4.350 -0.002 0.000 0.295 555 T C 0.403 175.194 174.700 0.151 0.000 0.958 555 T CA 0.434 62.612 62.100 0.131 0.000 1.157 555 T CB 1.468 70.427 68.868 0.153 0.000 0.898 555 T HN 0.496 nan 8.240 nan 0.000 0.536 556 Q N 2.012 121.878 119.800 0.110 0.000 2.288 556 Q HA 0.509 4.847 4.340 -0.002 0.000 0.254 556 Q C 0.038 176.124 176.000 0.143 0.000 0.932 556 Q CA -0.780 55.089 55.803 0.110 0.000 0.902 556 Q CB 0.642 29.415 28.738 0.057 0.000 1.203 556 Q HN 0.834 nan 8.270 nan 0.000 0.415 557 A N 3.805 126.714 122.820 0.149 0.000 2.425 557 A HA 0.254 4.572 4.320 -0.002 0.000 0.242 557 A C -0.312 177.368 177.584 0.160 0.000 1.077 557 A CA 0.144 52.278 52.037 0.162 0.000 0.781 557 A CB 0.260 19.306 19.000 0.076 0.000 1.020 557 A HN 0.870 nan 8.150 nan 0.000 0.494 558 E N 0.749 121.075 120.200 0.210 0.000 2.449 558 E HA 0.603 4.951 4.350 -0.002 0.000 0.278 558 E C -1.526 175.251 176.600 0.295 0.000 0.992 558 E CA -0.964 55.584 56.400 0.245 0.000 0.807 558 E CB 0.878 30.751 29.700 0.290 0.000 1.350 558 E HN 0.477 nan 8.360 nan 0.000 0.462 559 L N 1.427 122.826 121.223 0.294 0.000 2.349 559 L HA 0.403 4.741 4.340 -0.002 0.000 0.275 559 L C -0.391 176.714 176.870 0.392 0.000 1.115 559 L CA -0.346 54.672 54.840 0.296 0.000 0.820 559 L CB 0.534 42.707 42.059 0.191 0.000 1.135 559 L HN 0.425 nan 8.230 nan 0.000 0.445 560 W N 2.681 124.068 121.300 0.146 0.000 3.217 560 W HA 0.191 4.850 4.660 -0.002 0.000 0.323 560 W C -0.949 175.633 176.519 0.105 0.000 1.216 560 W CA -0.763 56.658 57.345 0.127 0.000 1.194 560 W CB 2.122 31.668 29.460 0.144 0.000 1.397 560 W HN 0.456 nan 8.180 nan 0.000 0.537 561 D N 2.302 122.643 120.400 -0.098 0.000 2.752 561 D HA -0.059 4.579 4.640 -0.002 0.000 0.225 561 D C 0.383 176.822 176.300 0.231 0.000 1.104 561 D CA 1.051 55.075 54.000 0.041 0.000 0.832 561 D CB 0.519 41.306 40.800 -0.021 0.000 1.161 561 D HN 0.137 nan 8.370 nan 0.000 0.505 562 c N 3.474 122.168 118.600 0.157 0.000 2.648 562 c HA 0.064 4.633 4.570 -0.002 0.000 0.415 562 c C 1.674 175.847 174.090 0.140 0.000 1.366 562 c CA -0.391 56.033 56.329 0.158 0.000 1.756 562 c CB -0.942 41.638 42.510 0.117 0.000 2.549 562 c HN 0.702 nan 8.230 nan 0.000 0.597 563 N N 0.215 118.997 118.700 0.136 0.000 2.075 563 N HA 0.196 4.935 4.740 -0.002 0.000 0.226 563 N C 0.947 176.495 175.510 0.064 0.000 1.343 563 N CA 0.582 53.693 53.050 0.101 0.000 0.881 563 N CB -0.060 38.500 38.487 0.121 0.000 1.100 563 N HN 0.918 nan 8.380 nan 0.000 0.495 564 G N -0.529 108.306 108.800 0.059 0.000 2.148 564 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.254 564 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.254 564 G C 0.493 175.395 174.900 0.003 0.000 0.981 564 G CA 0.186 45.304 45.100 0.030 0.000 0.670 564 G HN 0.767 nan 8.290 nan 0.000 0.528 565 G N -0.100 108.701 108.800 0.002 0.000 2.684 565 G HA2 0.481 4.439 3.960 -0.002 0.000 0.255 565 G HA3 0.481 4.439 3.960 -0.002 0.000 0.255 565 G C -0.437 174.430 174.900 -0.055 0.000 1.219 565 G CA -0.107 44.984 45.100 -0.015 0.000 0.901 565 G HN 0.124 nan 8.290 nan 0.000 0.548 566 P HA -0.095 nan 4.420 nan 0.000 0.220 566 P C 1.394 178.561 177.300 -0.222 0.000 1.148 566 P CA 0.966 64.029 63.100 -0.063 0.000 0.803 566 P CB 0.093 31.840 31.700 0.078 0.000 0.782 567 N N -0.693 117.933 118.700 -0.123 0.000 2.515 567 N HA -0.085 4.653 4.740 -0.002 0.000 0.191 567 N C 0.973 176.261 175.510 -0.370 0.000 1.182 567 N CA 0.630 53.516 53.050 -0.274 0.000 0.879 567 N CB -0.523 37.962 38.487 -0.002 0.000 0.984 567 N HN 0.283 nan 8.380 nan 0.000 0.453 568 Q N -1.043 118.551 119.800 -0.344 0.000 2.113 568 Q HA 0.170 4.509 4.340 -0.002 0.000 0.225 568 Q C -0.567 175.243 176.000 -0.316 0.000 0.786 568 Q CA -0.139 55.540 55.803 -0.206 0.000 0.989 568 Q CB 0.826 29.579 28.738 0.024 0.000 1.174 568 Q HN 0.174 nan 8.270 nan 0.000 0.470 569 S N 0.744 116.160 115.700 -0.473 0.000 2.464 569 S HA 0.291 4.760 4.470 -0.002 0.000 0.313 569 S C -1.311 173.039 174.600 -0.416 0.000 1.078 569 S CA -0.565 57.460 58.200 -0.293 0.000 1.096 569 S CB -0.039 63.057 63.200 -0.173 0.000 1.032 569 S HN 0.173 nan 8.310 nan 0.000 0.498 570 W N 3.235 124.485 121.300 -0.084 0.000 2.335 570 W HA 0.353 5.011 4.660 -0.003 0.000 0.307 570 W C 0.372 176.874 176.519 -0.027 0.000 1.117 570 W CA -0.731 56.562 57.345 -0.086 0.000 1.228 570 W CB 1.075 30.462 29.460 -0.122 0.000 1.240 570 W HN 0.303 nan 8.180 nan 0.000 0.468 571 T N 3.850 118.515 114.554 0.185 0.000 2.733 571 T HA 0.090 4.439 4.350 -0.002 0.000 0.294 571 T C -1.104 173.731 174.700 0.225 0.000 0.956 571 T CA -0.330 61.864 62.100 0.155 0.000 0.987 571 T CB -0.005 68.906 68.868 0.071 0.000 0.920 571 T HN 0.141 nan 8.240 nan 0.000 0.470 572 Y N 4.556 124.903 120.300 0.078 0.000 2.365 572 Y HA 0.393 4.942 4.550 -0.002 0.000 0.340 572 Y C 0.939 176.877 175.900 0.063 0.000 1.016 572 Y CA -0.952 57.191 58.100 0.071 0.000 1.196 572 Y CB 0.217 38.709 38.460 0.054 0.000 1.167 572 Y HN 0.699 nan 8.280 nan 0.000 0.509 573 T N 0.304 114.682 114.554 -0.293 0.000 2.936 573 T HA 0.257 4.605 4.350 -0.002 0.000 0.282 573 T C 1.187 175.667 174.700 -0.367 0.000 1.003 573 T CA -0.175 61.787 62.100 -0.230 0.000 1.005 573 T CB 1.176 69.981 68.868 -0.105 0.000 1.097 573 T HN 0.618 nan 8.240 nan 0.000 0.532 574 S N 0.075 115.658 115.700 -0.195 0.000 2.469 574 S HA -0.077 4.392 4.470 -0.002 0.000 0.238 574 S C 1.538 176.047 174.600 -0.151 0.000 0.998 574 S CA 0.225 58.330 58.200 -0.158 0.000 0.957 574 S CB -0.551 62.599 63.200 -0.083 0.000 0.764 574 S HN 0.753 nan 8.310 nan 0.000 0.514 575 R N 1.036 121.448 120.500 -0.147 0.000 2.334 575 R HA 0.290 4.628 4.340 -0.002 0.000 0.220 575 R C 0.118 176.356 176.300 -0.104 0.000 0.917 575 R CA 0.008 56.051 56.100 -0.095 0.000 1.073 575 R CB -0.132 30.138 30.300 -0.049 0.000 1.056 575 R HN 0.372 nan 8.270 nan 0.000 0.506 576 K N 0.217 120.469 120.400 -0.246 0.000 3.341 576 K HA -0.207 4.112 4.320 -0.002 0.000 0.305 576 K C -0.855 175.799 176.600 0.091 0.000 1.270 576 K CA 1.031 57.200 56.287 -0.197 0.000 0.897 576 K CB -1.233 31.294 32.500 0.045 0.000 1.264 576 K HN 0.391 nan 8.250 nan 0.000 0.468 577 E N 0.604 120.827 120.200 0.038 0.000 2.349 577 E HA 0.363 4.711 4.350 -0.002 0.000 0.265 577 E C -0.154 176.623 176.600 0.296 0.000 1.064 577 E CA -0.383 56.155 56.400 0.230 0.000 0.886 577 E CB 0.851 30.639 29.700 0.147 0.000 1.036 577 E HN 0.116 nan 8.360 nan 0.000 0.413 578 L N 2.868 124.293 121.223 0.337 0.000 2.301 578 L HA 0.312 4.651 4.340 -0.002 0.000 0.278 578 L C -1.086 176.004 176.870 0.366 0.000 1.022 578 L CA -0.776 54.221 54.840 0.262 0.000 0.854 578 L CB 1.092 43.080 42.059 -0.118 0.000 1.226 578 L HN 0.253 nan 8.230 nan 0.000 0.429 579 V N 4.384 124.482 119.914 0.307 0.000 2.427 579 V HA 0.426 4.545 4.120 -0.002 0.000 0.286 579 V C -0.188 175.916 176.094 0.017 0.000 1.034 579 V CA -0.577 61.834 62.300 0.185 0.000 0.893 579 V CB 2.151 34.037 31.823 0.104 0.000 0.982 579 V HN 0.405 nan 8.190 nan 0.000 0.452 580 L N 5.281 126.401 121.223 -0.172 0.000 2.346 580 L HA 0.622 4.960 4.340 -0.002 0.000 0.274 580 L C -0.286 176.330 176.870 -0.423 0.000 1.007 580 L CA 0.029 54.477 54.840 -0.654 0.000 0.818 580 L CB 1.071 42.422 42.059 -1.180 0.000 1.284 580 L HN 0.656 nan 8.230 nan 0.000 0.424 581 Y N 3.070 123.220 120.300 -0.251 0.000 4.753 581 Y HA -0.203 4.346 4.550 -0.003 0.000 0.232 581 Y C 1.558 177.353 175.900 -0.175 0.000 1.029 581 Y CA 1.205 59.167 58.100 -0.230 0.000 1.996 581 Y CB -2.199 36.105 38.460 -0.261 0.000 1.602 581 Y HN 0.922 nan 8.280 nan 0.000 0.621 582 G N 0.038 108.826 108.800 -0.020 0.000 2.212 582 G HA2 -0.413 3.545 3.960 -0.002 0.000 0.266 582 G HA3 -0.413 3.545 3.960 -0.002 0.000 0.266 582 G C 0.531 175.450 174.900 0.031 0.000 0.978 582 G CA 1.134 46.231 45.100 -0.006 0.000 0.632 582 G HN 1.164 nan 8.290 nan 0.000 0.537 583 N N -1.851 116.881 118.700 0.053 0.000 2.039 583 N HA 0.197 4.935 4.740 -0.002 0.000 0.228 583 N C -0.062 175.510 175.510 0.103 0.000 1.369 583 N CA -0.197 52.899 53.050 0.077 0.000 0.806 583 N CB 0.503 39.024 38.487 0.056 0.000 1.190 583 N HN 0.238 nan 8.380 nan 0.000 0.506 584 K N 0.403 120.874 120.400 0.120 0.000 2.316 584 K HA 0.547 4.865 4.320 -0.002 0.000 0.251 584 K C -1.066 175.651 176.600 0.195 0.000 0.934 584 K CA -0.419 55.965 56.287 0.162 0.000 0.802 584 K CB 2.373 34.990 32.500 0.195 0.000 1.171 584 K HN 0.060 nan 8.250 nan 0.000 0.426 585 c N 2.231 120.993 118.600 0.270 0.000 2.417 585 c HA 0.360 4.928 4.570 -0.002 0.000 0.324 585 c C 0.025 174.348 174.090 0.387 0.000 1.240 585 c CA -0.909 55.612 56.329 0.319 0.000 1.632 585 c CB 0.716 43.405 42.510 0.298 0.000 2.241 585 c HN 0.738 nan 8.230 nan 0.000 0.499 586 L N 4.275 125.727 121.223 0.383 0.000 2.499 586 L HA 0.279 4.618 4.340 -0.002 0.000 0.273 586 L C 0.035 177.239 176.870 0.556 0.000 1.195 586 L CA 1.462 56.466 54.840 0.274 0.000 0.882 586 L CB 0.059 41.928 42.059 -0.317 0.000 1.133 586 L HN 0.681 nan 8.230 nan 0.000 0.483 587 D N 4.226 124.931 120.400 0.509 0.000 2.936 587 D HA 0.390 5.028 4.640 -0.002 0.000 0.238 587 D C -1.290 175.234 176.300 0.374 0.000 1.248 587 D CA -0.467 53.789 54.000 0.427 0.000 0.903 587 D CB 2.018 43.040 40.800 0.371 0.000 1.544 587 D HN 0.692 nan 8.370 nan 0.000 0.543 588 A N 3.878 126.826 122.820 0.214 0.000 2.350 588 A HA 0.224 4.543 4.320 -0.002 0.000 0.293 588 A C -0.426 177.207 177.584 0.082 0.000 1.231 588 A CA -0.416 51.705 52.037 0.140 0.000 0.883 588 A CB -0.258 18.724 19.000 -0.030 0.000 1.133 588 A HN 0.538 nan 8.150 nan 0.000 0.533 589 Y N 3.666 123.980 120.300 0.024 0.000 2.721 589 Y HA -0.014 4.534 4.550 -0.002 0.000 0.329 589 Y C 0.845 176.687 175.900 -0.097 0.000 1.211 589 Y CA 0.909 58.986 58.100 -0.038 0.000 1.512 589 Y CB 0.090 38.563 38.460 0.022 0.000 1.249 589 Y HN 0.867 nan 8.280 nan 0.000 0.549 590 N N 4.136 122.289 118.700 -0.911 0.000 2.708 590 N HA -0.256 4.482 4.740 -0.002 0.000 0.249 590 N C -0.174 175.109 175.510 -0.378 0.000 1.097 590 N CA 1.460 54.056 53.050 -0.758 0.000 0.710 590 N CB -1.179 36.784 38.487 -0.873 0.000 1.032 590 N HN 0.823 nan 8.380 nan 0.000 0.551 591 L N -3.044 118.010 121.223 -0.283 0.000 3.737 591 L HA -0.212 4.127 4.340 -0.002 0.000 0.418 591 L C 1.261 178.044 176.870 -0.146 0.000 1.216 591 L CA 1.225 55.950 54.840 -0.192 0.000 0.915 591 L CB -2.060 39.892 42.059 -0.179 0.000 1.834 591 L HN 0.436 nan 8.230 nan 0.000 0.943 592 G N -0.308 108.420 108.800 -0.119 0.000 2.380 592 G HA2 0.368 4.326 3.960 -0.002 0.000 0.242 592 G HA3 0.368 4.326 3.960 -0.002 0.000 0.242 592 G C 0.989 175.849 174.900 -0.067 0.000 1.298 592 G CA 0.321 45.379 45.100 -0.070 0.000 0.878 592 G HN 0.518 nan 8.290 nan 0.000 0.542 593 T N -1.853 112.660 114.554 -0.069 0.000 3.091 593 T HA 0.310 4.659 4.350 -0.002 0.000 0.277 593 T C 0.868 175.518 174.700 -0.083 0.000 0.996 593 T CA 0.454 62.508 62.100 -0.076 0.000 0.897 593 T CB 0.061 68.882 68.868 -0.079 0.000 1.109 593 T HN 0.798 nan 8.240 nan 0.000 0.534 594 T N -0.030 114.473 114.554 -0.086 0.000 2.942 594 T HA 0.562 4.911 4.350 -0.002 0.000 0.289 594 T C -0.407 174.179 174.700 -0.190 0.000 1.044 594 T CA -0.953 61.065 62.100 -0.138 0.000 1.023 594 T CB 0.931 69.725 68.868 -0.122 0.000 1.123 594 T HN -0.014 nan 8.240 nan 0.000 0.512 595 N N 0.824 119.282 118.700 -0.402 0.000 2.294 595 N HA 0.296 5.034 4.740 -0.002 0.000 0.263 595 N C 1.496 176.815 175.510 -0.317 0.000 1.281 595 N CA 1.852 54.442 53.050 -0.767 0.000 0.846 595 N CB 0.136 37.577 38.487 -1.745 0.000 1.061 595 N HN 1.239 nan 8.380 nan 0.000 0.478 596 G N 1.016 109.898 108.800 0.136 0.000 2.176 596 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.232 596 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.232 596 G C 0.233 175.260 174.900 0.210 0.000 0.986 596 G CA 0.180 45.513 45.100 0.388 0.000 0.643 596 G HN 0.633 nan 8.290 nan 0.000 0.522 597 T N 2.391 117.032 114.554 0.144 0.000 2.866 597 T HA 0.300 4.649 4.350 -0.002 0.000 0.293 597 T C 0.808 175.613 174.700 0.175 0.000 1.005 597 T CA 0.611 62.792 62.100 0.135 0.000 1.162 597 T CB 0.574 69.498 68.868 0.093 0.000 0.968 597 T HN 0.408 nan 8.240 nan 0.000 0.530 598 K N 2.219 122.723 120.400 0.174 0.000 2.326 598 K HA 0.303 4.621 4.320 -0.002 0.000 0.275 598 K C -0.397 176.323 176.600 0.201 0.000 1.018 598 K CA -0.452 55.925 56.287 0.149 0.000 0.962 598 K CB 0.698 33.245 32.500 0.078 0.000 0.953 598 K HN 0.277 nan 8.250 nan 0.000 0.475 599 V N 4.486 124.509 119.914 0.181 0.000 2.350 599 V HA 0.246 4.365 4.120 -0.002 0.000 0.276 599 V C 0.054 176.254 176.094 0.177 0.000 1.028 599 V CA -0.590 61.834 62.300 0.207 0.000 0.860 599 V CB 1.000 32.917 31.823 0.157 0.000 0.990 599 V HN 0.615 nan 8.190 nan 0.000 0.453 600 V N 3.850 123.911 119.914 0.244 0.000 3.155 600 V HA 0.744 4.862 4.120 -0.002 0.000 0.313 600 V C -0.334 175.956 176.094 0.326 0.000 1.162 600 V CA -1.152 61.306 62.300 0.263 0.000 1.048 600 V CB 2.183 34.182 31.823 0.294 0.000 1.092 600 V HN 0.758 nan 8.190 nan 0.000 0.447 601 I N -1.174 119.599 120.570 0.340 0.000 2.488 601 I HA 0.675 4.844 4.170 -0.002 0.000 0.299 601 I C -0.668 175.717 176.117 0.447 0.000 0.984 601 I CA -0.359 61.162 61.300 0.369 0.000 1.250 601 I CB 1.712 39.895 38.000 0.304 0.000 1.389 601 I HN 0.869 nan 8.210 nan 0.000 0.488 602 W N 3.865 125.292 121.300 0.211 0.000 3.167 602 W HA 0.297 4.956 4.660 -0.003 0.000 0.324 602 W C -1.166 175.452 176.519 0.165 0.000 1.230 602 W CA -0.485 56.972 57.345 0.187 0.000 1.184 602 W CB 2.127 31.703 29.460 0.192 0.000 1.414 602 W HN 0.567 nan 8.180 nan 0.000 0.551 603 D N 2.215 122.651 120.400 0.059 0.000 2.583 603 D HA -0.021 4.618 4.640 -0.002 0.000 0.232 603 D C 0.366 176.861 176.300 0.326 0.000 1.128 603 D CA 0.937 55.033 54.000 0.160 0.000 0.859 603 D CB 0.617 41.462 40.800 0.075 0.000 1.169 603 D HN 0.140 nan 8.370 nan 0.000 0.481 604 c N 3.372 122.110 118.600 0.230 0.000 2.633 604 c HA 0.049 4.618 4.570 -0.002 0.000 0.415 604 c C 1.591 175.792 174.090 0.185 0.000 1.393 604 c CA -0.464 55.990 56.329 0.209 0.000 1.700 604 c CB -1.004 41.600 42.510 0.157 0.000 2.541 604 c HN 0.639 nan 8.230 nan 0.000 0.603 605 N N 0.359 119.158 118.700 0.165 0.000 2.143 605 N HA 0.230 4.969 4.740 -0.002 0.000 0.229 605 N C 0.903 176.456 175.510 0.072 0.000 1.294 605 N CA 0.471 53.597 53.050 0.126 0.000 0.883 605 N CB 0.032 38.605 38.487 0.142 0.000 1.148 605 N HN 0.957 nan 8.380 nan 0.000 0.511 606 G N -0.074 108.763 108.800 0.063 0.000 2.184 606 G HA2 -0.347 3.612 3.960 -0.002 0.000 0.264 606 G HA3 -0.347 3.612 3.960 -0.002 0.000 0.264 606 G C -0.245 174.658 174.900 0.004 0.000 0.975 606 G CA 0.464 45.582 45.100 0.030 0.000 0.642 606 G HN 0.507 nan 8.290 nan 0.000 0.536 607 Q N -0.577 119.222 119.800 -0.002 0.000 2.368 607 Q HA 0.652 4.990 4.340 -0.002 0.000 0.237 607 Q C 1.703 177.661 176.000 -0.070 0.000 0.987 607 Q CA 0.008 55.786 55.803 -0.041 0.000 0.896 607 Q CB 1.023 29.725 28.738 -0.060 0.000 1.241 607 Q HN 0.515 nan 8.270 nan 0.000 0.485 608 A N 2.022 124.784 122.820 -0.097 0.000 2.067 608 A HA -0.180 4.139 4.320 -0.002 0.000 0.219 608 A C 1.440 178.895 177.584 -0.216 0.000 1.158 608 A CA 1.492 53.448 52.037 -0.135 0.000 0.661 608 A CB -0.499 18.429 19.000 -0.120 0.000 0.801 608 A HN 0.868 nan 8.150 nan 0.000 0.452 609 N N -0.175 118.405 118.700 -0.201 0.000 2.550 609 N HA -0.124 4.614 4.740 -0.002 0.000 0.186 609 N C 0.940 176.285 175.510 -0.276 0.000 1.110 609 N CA 0.828 53.721 53.050 -0.261 0.000 0.912 609 N CB -0.352 38.022 38.487 -0.188 0.000 0.968 609 N HN 0.667 nan 8.380 nan 0.000 0.448 610 Q N -0.256 119.442 119.800 -0.170 0.000 2.198 610 Q HA 0.229 4.568 4.340 -0.002 0.000 0.209 610 Q C -0.415 175.543 176.000 -0.071 0.000 0.848 610 Q CA 0.017 55.820 55.803 -0.001 0.000 0.974 610 Q CB 0.680 29.493 28.738 0.125 0.000 1.115 610 Q HN 0.317 nan 8.270 nan 0.000 0.494 611 K N 0.267 120.449 120.400 -0.363 0.000 2.207 611 K HA 0.428 4.747 4.320 -0.002 0.000 0.255 611 K C -1.348 174.959 176.600 -0.487 0.000 0.941 611 K CA -0.363 55.789 56.287 -0.225 0.000 0.825 611 K CB 1.298 33.724 32.500 -0.122 0.000 1.119 611 K HN -0.081 nan 8.250 nan 0.000 0.430 612 W N 0.956 122.319 121.300 0.105 0.000 2.998 612 W HA 0.337 4.996 4.660 -0.003 0.000 0.335 612 W C -0.391 176.220 176.519 0.153 0.000 1.110 612 W CA -0.720 56.681 57.345 0.094 0.000 1.230 612 W CB 1.190 30.680 29.460 0.049 0.000 1.405 612 W HN 0.325 nan 8.180 nan 0.000 0.493 613 N N 2.804 121.673 118.700 0.281 0.000 2.419 613 N HA 0.447 5.186 4.740 -0.002 0.000 0.277 613 N C -0.853 174.716 175.510 0.098 0.000 1.006 613 N CA -0.464 52.700 53.050 0.189 0.000 0.923 613 N CB 1.535 40.095 38.487 0.120 0.000 1.140 613 N HN 0.357 nan 8.380 nan 0.000 0.488 614 I N 2.576 123.141 120.570 -0.008 0.000 2.287 614 I HA 0.159 4.327 4.170 -0.002 0.000 0.290 614 I C 0.050 176.158 176.117 -0.015 0.000 1.069 614 I CA -0.604 60.634 61.300 -0.103 0.000 1.237 614 I CB 0.155 37.955 38.000 -0.334 0.000 1.418 614 I HN 0.175 nan 8.210 nan 0.000 0.481 615 N N 3.350 122.065 118.700 0.025 0.000 2.495 615 N HA 0.132 4.871 4.740 -0.002 0.000 0.280 615 N C 1.172 176.703 175.510 0.036 0.000 1.168 615 N CA -0.250 52.825 53.050 0.041 0.000 0.978 615 N CB 1.469 39.991 38.487 0.058 0.000 1.191 615 N HN 0.522 nan 8.380 nan 0.000 0.497 616 S N -0.383 115.338 115.700 0.035 0.000 2.419 616 S HA -0.179 4.290 4.470 -0.002 0.000 0.233 616 S C 0.909 175.527 174.600 0.030 0.000 1.016 616 S CA 1.048 59.266 58.200 0.030 0.000 0.974 616 S CB -0.260 62.957 63.200 0.027 0.000 0.786 616 S HN 0.717 nan 8.310 nan 0.000 0.492 617 D N 0.586 121.008 120.400 0.036 0.000 2.349 617 D HA 0.230 4.868 4.640 -0.002 0.000 0.224 617 D C 1.398 177.722 176.300 0.039 0.000 1.029 617 D CA 0.646 54.666 54.000 0.034 0.000 0.879 617 D CB -0.596 40.225 40.800 0.035 0.000 0.906 617 D HN 0.578 nan 8.370 nan 0.000 0.528 618 G N 0.090 108.922 108.800 0.053 0.000 2.194 618 G HA2 -0.259 3.699 3.960 -0.002 0.000 0.236 618 G HA3 -0.259 3.699 3.960 -0.002 0.000 0.236 618 G C 0.503 175.488 174.900 0.141 0.000 0.987 618 G CA 0.390 45.533 45.100 0.072 0.000 0.635 618 G HN 0.780 nan 8.290 nan 0.000 0.520 619 T N -0.728 113.909 114.554 0.138 0.000 2.882 619 T HA 0.697 5.046 4.350 -0.002 0.000 0.287 619 T C 0.199 175.008 174.700 0.180 0.000 1.014 619 T CA -0.416 61.809 62.100 0.208 0.000 1.049 619 T CB 2.027 70.990 68.868 0.159 0.000 1.001 619 T HN 0.583 nan 8.240 nan 0.000 0.525 620 I N 2.545 123.231 120.570 0.194 0.000 2.439 620 I HA 0.327 4.495 4.170 -0.002 0.000 0.283 620 I C 0.252 176.493 176.117 0.205 0.000 1.023 620 I CA -0.805 60.544 61.300 0.080 0.000 1.100 620 I CB 1.957 39.837 38.000 -0.200 0.000 1.238 620 I HN 0.910 nan 8.210 nan 0.000 0.445 621 T N 1.683 116.380 114.554 0.237 0.000 2.855 621 T HA 0.320 4.668 4.350 -0.002 0.000 0.281 621 T C -0.220 174.599 174.700 0.198 0.000 1.007 621 T CA -0.882 61.351 62.100 0.222 0.000 1.009 621 T CB 1.967 70.905 68.868 0.118 0.000 0.983 621 T HN 0.482 nan 8.240 nan 0.000 0.455 622 N N 1.890 120.585 118.700 -0.007 0.000 2.497 622 N HA 0.072 4.811 4.740 -0.002 0.000 0.271 622 N C 1.134 176.459 175.510 -0.307 0.000 1.142 622 N CA -0.254 52.488 53.050 -0.514 0.000 0.965 622 N CB 1.297 39.433 38.487 -0.584 0.000 1.077 622 N HN 0.450 nan 8.380 nan 0.000 0.462 623 V N 4.109 123.812 119.914 -0.351 0.000 2.358 623 V HA -0.210 3.908 4.120 -0.002 0.000 0.246 623 V C 2.222 178.215 176.094 -0.169 0.000 1.047 623 V CA 1.612 63.798 62.300 -0.190 0.000 1.035 623 V CB -0.767 30.961 31.823 -0.157 0.000 0.658 623 V HN 0.733 nan 8.190 nan 0.000 0.452 624 N N 0.375 118.943 118.700 -0.220 0.000 2.120 624 N HA -0.134 4.605 4.740 -0.002 0.000 0.188 624 N C 1.470 176.900 175.510 -0.133 0.000 1.024 624 N CA 1.933 54.882 53.050 -0.167 0.000 0.852 624 N CB -0.164 38.210 38.487 -0.187 0.000 1.003 624 N HN 0.449 nan 8.380 nan 0.000 0.424 625 A N -1.951 120.782 122.820 -0.145 0.000 2.108 625 A HA 0.487 4.805 4.320 -0.002 0.000 0.206 625 A C 1.627 179.167 177.584 -0.074 0.000 1.212 625 A CA 0.760 52.734 52.037 -0.105 0.000 0.843 625 A CB -0.238 18.698 19.000 -0.105 0.000 0.902 625 A HN 0.444 nan 8.150 nan 0.000 0.477 626 G N -0.804 107.954 108.800 -0.070 0.000 2.205 626 G HA2 -0.226 3.732 3.960 -0.002 0.000 0.261 626 G HA3 -0.226 3.732 3.960 -0.002 0.000 0.261 626 G C 0.251 175.155 174.900 0.007 0.000 0.980 626 G CA 0.509 45.592 45.100 -0.029 0.000 0.632 626 G HN 0.460 nan 8.290 nan 0.000 0.533 627 L N 0.140 121.368 121.223 0.008 0.000 2.439 627 L HA 0.483 4.822 4.340 -0.002 0.000 0.261 627 L C 1.074 178.029 176.870 0.142 0.000 1.153 627 L CA -0.933 53.945 54.840 0.064 0.000 0.808 627 L CB 0.983 43.070 42.059 0.046 0.000 1.126 627 L HN 0.199 nan 8.230 nan 0.000 0.460 628 c N 2.150 120.871 118.600 0.201 0.000 2.463 628 c HA 0.298 4.866 4.570 -0.002 0.000 0.380 628 c C 0.459 174.740 174.090 0.318 0.000 1.264 628 c CA -0.731 55.753 56.329 0.259 0.000 2.161 628 c CB 0.783 43.448 42.510 0.258 0.000 2.515 628 c HN 0.487 nan 8.230 nan 0.000 0.565 629 L N 4.666 126.071 121.223 0.302 0.000 2.513 629 L HA 0.244 4.582 4.340 -0.002 0.000 0.272 629 L C 0.044 177.194 176.870 0.465 0.000 1.187 629 L CA 1.352 56.321 54.840 0.214 0.000 0.895 629 L CB 0.004 41.900 42.059 -0.272 0.000 1.147 629 L HN 0.676 nan 8.230 nan 0.000 0.483 630 D N 4.443 125.103 120.400 0.433 0.000 2.936 630 D HA 0.388 5.026 4.640 -0.002 0.000 0.238 630 D C -1.249 175.270 176.300 0.365 0.000 1.248 630 D CA -0.462 53.780 54.000 0.404 0.000 0.903 630 D CB 2.037 43.044 40.800 0.345 0.000 1.544 630 D HN 0.739 nan 8.370 nan 0.000 0.543 631 A N 3.992 126.982 122.820 0.283 0.000 2.395 631 A HA 0.185 4.503 4.320 -0.002 0.000 0.286 631 A C -0.327 177.324 177.584 0.112 0.000 1.193 631 A CA -0.351 51.808 52.037 0.204 0.000 0.852 631 A CB -0.293 18.760 19.000 0.089 0.000 1.118 631 A HN 0.564 nan 8.150 nan 0.000 0.524 632 Y N 3.732 124.047 120.300 0.025 0.000 2.805 632 Y HA -0.120 4.428 4.550 -0.002 0.000 0.331 632 Y C 1.361 177.196 175.900 -0.108 0.000 1.241 632 Y CA 1.782 59.852 58.100 -0.049 0.000 1.546 632 Y CB -0.052 38.414 38.460 0.009 0.000 1.248 632 Y HN 0.956 nan 8.280 nan 0.000 0.559 633 N N 3.741 122.000 118.700 -0.735 0.000 2.708 633 N HA -0.330 4.408 4.740 -0.002 0.000 0.251 633 N C 0.281 175.604 175.510 -0.313 0.000 1.123 633 N CA 0.450 53.143 53.050 -0.595 0.000 0.739 633 N CB -0.921 37.227 38.487 -0.565 0.000 1.113 633 N HN 1.289 nan 8.380 nan 0.000 0.561 634 A N -2.340 120.330 122.820 -0.250 0.000 2.748 634 A HA -0.087 4.231 4.320 -0.002 0.000 0.297 634 A C 0.743 178.253 177.584 -0.124 0.000 1.508 634 A CA 1.936 53.870 52.037 -0.171 0.000 0.799 634 A CB -2.009 16.886 19.000 -0.175 0.000 1.011 634 A HN 1.340 nan 8.150 nan 0.000 0.500 635 A N -0.660 122.105 122.820 -0.092 0.000 2.332 635 A HA 0.674 4.993 4.320 -0.002 0.000 0.258 635 A C 1.379 178.937 177.584 -0.045 0.000 1.087 635 A CA 0.779 52.783 52.037 -0.054 0.000 0.802 635 A CB 0.244 19.237 19.000 -0.013 0.000 1.042 635 A HN 1.765 nan 8.150 nan 0.000 0.489 636 T N -1.752 112.773 114.554 -0.049 0.000 3.004 636 T HA 0.513 4.861 4.350 -0.002 0.000 0.266 636 T C 0.732 175.398 174.700 -0.056 0.000 0.986 636 T CA 0.580 62.647 62.100 -0.055 0.000 0.902 636 T CB -0.340 68.486 68.868 -0.071 0.000 1.118 636 T HN 1.249 nan 8.240 nan 0.000 0.522 637 A N 2.274 125.061 122.820 -0.056 0.000 2.406 637 A HA 0.472 4.790 4.320 -0.002 0.000 0.243 637 A C 0.316 177.828 177.584 -0.120 0.000 1.082 637 A CA -0.561 51.420 52.037 -0.093 0.000 0.786 637 A CB -0.167 18.788 19.000 -0.075 0.000 1.029 637 A HN 0.388 nan 8.150 nan 0.000 0.495 638 N N 0.268 118.802 118.700 -0.276 0.000 2.294 638 N HA 0.242 4.981 4.740 -0.002 0.000 0.263 638 N C 1.193 176.614 175.510 -0.148 0.000 1.281 638 N CA 1.813 54.566 53.050 -0.495 0.000 0.846 638 N CB 0.576 38.342 38.487 -1.202 0.000 1.061 638 N HN 1.294 nan 8.380 nan 0.000 0.478 639 G N 1.084 109.993 108.800 0.183 0.000 2.176 639 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.232 639 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.232 639 G C 0.199 175.198 174.900 0.166 0.000 0.986 639 G CA 0.226 45.492 45.100 0.277 0.000 0.643 639 G HN 0.623 nan 8.290 nan 0.000 0.522 640 T N 2.440 117.075 114.554 0.134 0.000 2.867 640 T HA 0.431 4.780 4.350 -0.002 0.000 0.297 640 T C 0.858 175.657 174.700 0.165 0.000 0.989 640 T CA 0.879 63.058 62.100 0.132 0.000 1.159 640 T CB 1.052 69.985 68.868 0.109 0.000 0.928 640 T HN 0.358 nan 8.240 nan 0.000 0.538 641 S N 3.176 118.965 115.700 0.149 0.000 2.564 641 S HA 0.312 4.781 4.470 -0.002 0.000 0.278 641 S C 0.300 175.004 174.600 0.174 0.000 1.333 641 S CA -0.727 57.547 58.200 0.123 0.000 1.048 641 S CB 0.261 63.472 63.200 0.018 0.000 0.900 641 S HN 0.426 nan 8.310 nan 0.000 0.505 642 L N 3.599 124.915 121.223 0.154 0.000 2.289 642 L HA 0.659 4.997 4.340 -0.002 0.000 0.285 642 L C 0.092 177.061 176.870 0.166 0.000 1.049 642 L CA -0.696 54.247 54.840 0.171 0.000 0.804 642 L CB 0.902 43.012 42.059 0.085 0.000 1.195 642 L HN 0.468 nan 8.230 nan 0.000 0.428 643 V N 1.142 121.200 119.914 0.240 0.000 3.158 643 V HA 0.573 4.692 4.120 -0.002 0.000 0.311 643 V C -0.489 175.799 176.094 0.323 0.000 1.181 643 V CA -1.078 61.388 62.300 0.276 0.000 1.054 643 V CB 2.219 34.261 31.823 0.364 0.000 1.085 643 V HN 0.546 nan 8.190 nan 0.000 0.446 644 L N 1.753 123.169 121.223 0.321 0.000 2.334 644 L HA 0.555 4.894 4.340 -0.002 0.000 0.277 644 L C -0.642 176.466 176.870 0.395 0.000 1.075 644 L CA -0.140 54.886 54.840 0.310 0.000 0.804 644 L CB 1.483 43.660 42.059 0.196 0.000 1.174 644 L HN 0.752 nan 8.230 nan 0.000 0.438 645 W N 1.683 123.069 121.300 0.143 0.000 3.213 645 W HA 0.186 4.845 4.660 -0.003 0.000 0.318 645 W C -0.425 176.149 176.519 0.093 0.000 1.248 645 W CA -0.610 56.805 57.345 0.116 0.000 1.187 645 W CB 2.315 31.848 29.460 0.120 0.000 1.403 645 W HN 0.393 nan 8.180 nan 0.000 0.556 646 S N 2.175 117.859 115.700 -0.027 0.000 2.563 646 S HA 0.074 4.543 4.470 -0.002 0.000 0.294 646 S C 0.259 174.996 174.600 0.228 0.000 1.279 646 S CA 0.324 58.564 58.200 0.066 0.000 1.069 646 S CB -0.199 62.990 63.200 -0.019 0.000 0.828 646 S HN 0.374 nan 8.310 nan 0.000 0.497 647 c N 4.188 122.881 118.600 0.155 0.000 2.653 647 c HA 0.600 5.168 4.570 -0.002 0.000 0.421 647 c C 1.572 175.738 174.090 0.125 0.000 1.334 647 c CA 0.384 56.803 56.329 0.151 0.000 1.885 647 c CB -0.462 42.117 42.510 0.115 0.000 2.645 647 c HN 1.214 nan 8.230 nan 0.000 0.601 648 G N 2.322 111.190 108.800 0.113 0.000 2.148 648 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.120 648 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.120 648 G C 0.439 175.377 174.900 0.064 0.000 1.034 648 G CA 0.421 45.567 45.100 0.076 0.000 0.710 648 G HN 0.896 nan 8.290 nan 0.000 0.495 649 T N -2.503 112.089 114.554 0.063 0.000 3.037 649 T HA 0.590 4.939 4.350 -0.002 0.000 0.252 649 T C 1.419 176.101 174.700 -0.030 0.000 1.073 649 T CA 1.479 63.590 62.100 0.018 0.000 1.091 649 T CB 1.205 70.068 68.868 -0.009 0.000 0.935 649 T HN 2.097 nan 8.240 nan 0.000 0.488 650 G N 0.395 109.175 108.800 -0.033 0.000 2.352 650 G HA2 0.199 4.157 3.960 -0.002 0.000 0.283 650 G HA3 0.199 4.157 3.960 -0.002 0.000 0.283 650 G C -1.128 173.716 174.900 -0.094 0.000 1.308 650 G CA -0.016 45.045 45.100 -0.064 0.000 0.892 650 G HN -0.041 nan 8.290 nan 0.000 0.504 651 D N 0.655 120.981 120.400 -0.124 0.000 2.348 651 D HA -0.039 4.599 4.640 -0.002 0.000 0.216 651 D C 2.163 178.295 176.300 -0.281 0.000 0.970 651 D CA 1.017 54.910 54.000 -0.178 0.000 0.889 651 D CB 0.016 40.723 40.800 -0.154 0.000 0.912 651 D HN 0.450 nan 8.370 nan 0.000 0.524 652 N N 0.373 118.927 118.700 -0.242 0.000 2.571 652 N HA -0.144 4.595 4.740 -0.002 0.000 0.189 652 N C 0.755 176.092 175.510 -0.288 0.000 1.154 652 N CA 0.422 53.297 53.050 -0.291 0.000 0.907 652 N CB -0.079 38.298 38.487 -0.184 0.000 0.977 652 N HN 0.288 nan 8.380 nan 0.000 0.449 653 Q N -0.671 118.996 119.800 -0.221 0.000 2.171 653 Q HA 0.222 4.561 4.340 -0.002 0.000 0.218 653 Q C -0.493 175.425 176.000 -0.137 0.000 0.822 653 Q CA -0.192 55.599 55.803 -0.021 0.000 0.987 653 Q CB 0.838 29.639 28.738 0.106 0.000 1.144 653 Q HN 0.101 nan 8.270 nan 0.000 0.494 654 K N 0.381 120.490 120.400 -0.485 0.000 2.221 654 K HA 0.420 4.738 4.320 -0.002 0.000 0.258 654 K C -1.144 175.058 176.600 -0.664 0.000 0.944 654 K CA -0.079 56.003 56.287 -0.341 0.000 0.823 654 K CB 1.335 33.716 32.500 -0.199 0.000 1.113 654 K HN -0.026 nan 8.250 nan 0.000 0.431 655 W N -0.139 121.140 121.300 -0.036 0.000 3.107 655 W HA 0.337 4.996 4.660 -0.002 0.000 0.331 655 W C -0.379 176.113 176.519 -0.045 0.000 1.204 655 W CA -0.609 56.706 57.345 -0.050 0.000 1.184 655 W CB 1.665 31.074 29.460 -0.085 0.000 1.421 655 W HN 0.227 nan 8.180 nan 0.000 0.544 656 T N 1.725 116.396 114.554 0.195 0.000 2.823 656 T HA 0.491 4.840 4.350 -0.002 0.000 0.279 656 T C -0.811 173.952 174.700 0.105 0.000 0.998 656 T CA -0.616 61.550 62.100 0.110 0.000 0.994 656 T CB 1.426 70.335 68.868 0.069 0.000 0.960 656 T HN 0.145 nan 8.240 nan 0.000 0.448 657 V N 4.168 124.114 119.914 0.055 0.000 2.364 657 V HA 0.415 4.534 4.120 -0.002 0.000 0.272 657 V C 0.493 176.615 176.094 0.047 0.000 1.036 657 V CA -0.121 62.198 62.300 0.031 0.000 0.880 657 V CB 1.091 32.899 31.823 -0.024 0.000 0.991 657 V HN 1.001 nan 8.190 nan 0.000 0.460 658 T N 0.000 114.592 114.554 0.064 0.000 3.816 658 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 658 T CA 0.000 62.137 62.100 0.062 0.000 1.349 658 T CB 0.000 68.907 68.868 0.066 0.000 0.612 658 T HN 0.000 nan 8.240 nan 0.000 0.658