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 2wme_1_A DATA FIRST_RESID 2 DATA SEQUENCE ARFEEQKLYI GGRYVEASSG ATFETINPAN GEVLAKVQRA SREDVERAVQ DATA SEQUENCE SAVEGQKVWA AMTAMQRSRI LRRAVDILRE RNDELAALET LDTGKPLAET DATA SEQUENCE RSVDIVTGAD VLEYYAGLVP AIEGEQIPLR ETSFVYTRRE PLGVVAGIGA DATA SEQUENCE WNYPVQIALW KSAPALAAGN AMIFKPSEVT PLTALKLAEI YTEAGVPDGV DATA SEQUENCE FNVLTGSGRE VGQWLTEHPL IEKISFTGGT STGKKVMASA SSSSLKEVTM DATA SEQUENCE ELGGKSPLII FPDADLDRAA DIAVMANFFS SGQVCTNGTR VFIHRSQQAR DATA SEQUENCE FEAKVLERVQ RIRLGDPQDE NTNFGPLVSF PHMESVLGYI ESGKAQKARL DATA SEQUENCE LCGGERVTDG AFGKGAYVAP TVFTDCRDDM TIVREEIFGP VMSILVYDDE DATA SEQUENCE DEAIRRANDT EYGLAAGVVT QDLARAHRAI HRLEAGICWI NTWGESPAEM DATA SEQUENCE PVGGYKQSGV GRENGLTTLA HYTRIKSVQV ELGDYASVF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.507 177.584 -0.128 0.000 1.274 2 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 2 A CB 0.000 18.966 19.000 -0.056 0.000 0.831 3 R N -0.924 119.443 120.500 -0.222 0.000 2.091 3 R HA 0.034 4.375 4.340 0.001 0.000 0.238 3 R C -0.161 175.789 176.300 -0.584 0.000 1.136 3 R CA 1.796 57.601 56.100 -0.492 0.000 0.959 3 R CB -0.175 29.669 30.300 -0.762 0.000 0.856 3 R HN 0.353 nan 8.270 nan 0.000 0.437 4 F N 0.087 120.020 119.950 -0.028 0.000 2.598 4 F HA 0.377 4.905 4.527 0.001 0.000 0.327 4 F C 0.247 176.018 175.800 -0.048 0.000 1.057 4 F CA -1.282 56.696 58.000 -0.037 0.000 0.957 4 F CB 1.191 40.168 39.000 -0.039 0.000 1.278 4 F HN -0.113 nan 8.300 nan 0.000 0.484 5 E N 0.004 120.298 120.200 0.158 0.000 2.428 5 E HA 0.030 4.380 4.350 0.001 0.000 0.257 5 E C -0.429 176.180 176.600 0.015 0.000 1.197 5 E CA -0.235 56.193 56.400 0.046 0.000 0.974 5 E CB 0.366 30.068 29.700 0.004 0.000 0.976 5 E HN 0.517 nan 8.360 nan 0.000 0.463 6 E N 1.407 121.594 120.200 -0.023 0.000 2.465 6 E HA -0.112 4.239 4.350 0.001 0.000 0.260 6 E C -0.711 175.841 176.600 -0.080 0.000 0.980 6 E CA -0.201 56.170 56.400 -0.049 0.000 0.927 6 E CB 0.450 30.124 29.700 -0.043 0.000 0.934 6 E HN 0.185 nan 8.360 nan 0.000 0.459 7 Q N 3.371 123.119 119.800 -0.087 0.000 2.274 7 Q HA 0.259 4.600 4.340 0.001 0.000 0.256 7 Q C -0.702 175.284 176.000 -0.024 0.000 0.927 7 Q CA -0.197 55.554 55.803 -0.087 0.000 0.939 7 Q CB 1.580 30.282 28.738 -0.059 0.000 1.201 7 Q HN 0.334 nan 8.270 nan 0.000 0.426 8 K N 0.908 121.323 120.400 0.026 0.000 2.245 8 K HA 0.555 4.876 4.320 0.001 0.000 0.234 8 K C -0.117 176.658 176.600 0.292 0.000 1.021 8 K CA -0.659 55.709 56.287 0.134 0.000 0.898 8 K CB 0.974 33.543 32.500 0.116 0.000 1.163 8 K HN 0.370 nan 8.250 nan 0.000 0.459 9 L N 0.944 122.306 121.223 0.232 0.000 2.452 9 L HA 0.241 4.582 4.340 0.001 0.000 0.267 9 L C -0.407 176.600 176.870 0.228 0.000 1.188 9 L CA -0.266 54.704 54.840 0.216 0.000 0.821 9 L CB 0.066 42.202 42.059 0.128 0.000 1.102 9 L HN 0.484 nan 8.230 nan 0.000 0.470 10 Y N 2.933 123.236 120.300 0.005 0.000 2.464 10 Y HA 0.594 5.144 4.550 0.001 0.000 0.326 10 Y C -0.549 175.285 175.900 -0.110 0.000 0.969 10 Y CA -0.405 57.596 58.100 -0.165 0.000 1.270 10 Y CB 0.741 39.039 38.460 -0.270 0.000 1.103 10 Y HN 0.323 nan 8.280 nan 0.000 0.491 11 I N 4.546 124.964 120.570 -0.254 0.000 2.499 11 I HA 0.440 4.611 4.170 0.001 0.000 0.288 11 I C 0.503 176.476 176.117 -0.239 0.000 1.048 11 I CA -0.849 60.361 61.300 -0.150 0.000 1.062 11 I CB 2.156 40.111 38.000 -0.075 0.000 1.238 11 I HN 0.800 nan 8.210 nan 0.000 0.426 12 G N 3.954 112.663 108.800 -0.152 0.000 2.225 12 G HA2 -0.059 3.901 3.960 0.001 0.000 0.264 12 G HA3 -0.059 3.901 3.960 0.001 0.000 0.264 12 G C 0.867 175.661 174.900 -0.176 0.000 1.060 12 G CA 0.338 45.361 45.100 -0.127 0.000 0.833 12 G HN 1.637 nan 8.290 nan 0.000 0.498 13 G N -1.126 107.544 108.800 -0.217 0.000 2.160 13 G HA2 -0.012 3.948 3.960 0.001 0.000 0.251 13 G HA3 -0.012 3.948 3.960 0.001 0.000 0.251 13 G C 0.272 174.928 174.900 -0.407 0.000 1.008 13 G CA 1.343 46.338 45.100 -0.175 0.000 0.724 13 G HN 2.153 nan 8.290 nan 0.000 0.514 14 R N -2.128 117.841 120.500 -0.884 0.000 2.664 14 R HA 0.499 4.840 4.340 0.001 0.000 0.266 14 R C -1.018 174.817 176.300 -0.775 0.000 1.046 14 R CA -1.221 54.502 56.100 -0.627 0.000 0.885 14 R CB 0.741 30.898 30.300 -0.237 0.000 1.254 14 R HN 0.077 nan 8.270 nan 0.000 0.465 15 Y N 0.815 120.946 120.300 -0.281 0.000 2.411 15 Y HA 0.332 4.883 4.550 0.001 0.000 0.333 15 Y C 0.903 176.743 175.900 -0.100 0.000 1.186 15 Y CA 0.201 58.230 58.100 -0.119 0.000 1.381 15 Y CB 1.355 39.827 38.460 0.020 0.000 1.273 15 Y HN 0.483 nan 8.280 nan 0.000 0.546 16 V N -0.346 119.620 119.914 0.086 0.000 3.040 16 V HA 0.539 4.660 4.120 0.001 0.000 0.312 16 V C -0.631 175.505 176.094 0.069 0.000 1.115 16 V CA -1.427 60.900 62.300 0.045 0.000 0.998 16 V CB 2.077 33.895 31.823 -0.008 0.000 1.042 16 V HN 0.591 nan 8.190 nan 0.000 0.433 17 E N 2.083 122.311 120.200 0.047 0.000 2.344 17 E HA 0.459 4.810 4.350 0.001 0.000 0.270 17 E C 0.590 177.218 176.600 0.047 0.000 1.021 17 E CA 0.271 56.699 56.400 0.046 0.000 0.887 17 E CB 1.589 31.308 29.700 0.031 0.000 0.997 17 E HN 1.094 nan 8.360 nan 0.000 0.429 18 A N 2.669 125.526 122.820 0.061 0.000 2.455 18 A HA 0.092 4.413 4.320 0.001 0.000 0.244 18 A C 0.766 178.380 177.584 0.049 0.000 1.099 18 A CA 0.315 52.391 52.037 0.065 0.000 0.786 18 A CB 0.227 19.281 19.000 0.090 0.000 1.051 18 A HN 0.630 nan 8.150 nan 0.000 0.508 19 S N -1.291 114.437 115.700 0.047 0.000 2.751 19 S HA 0.254 4.725 4.470 0.001 0.000 0.247 19 S C 0.596 175.220 174.600 0.039 0.000 1.103 19 S CA 0.330 58.549 58.200 0.032 0.000 1.090 19 S CB -0.202 63.006 63.200 0.013 0.000 0.928 19 S HN 1.300 nan 8.310 nan 0.000 0.502 20 S N 0.238 115.977 115.700 0.064 0.000 2.497 20 S HA 0.463 4.934 4.470 0.001 0.000 0.218 20 S C 1.758 176.400 174.600 0.070 0.000 1.023 20 S CA 0.502 58.750 58.200 0.080 0.000 0.913 20 S CB -0.546 62.730 63.200 0.127 0.000 0.800 20 S HN 1.623 nan 8.310 nan 0.000 0.505 21 G N 1.150 109.986 108.800 0.060 0.000 2.166 21 G HA2 -0.043 3.918 3.960 0.001 0.000 0.260 21 G HA3 -0.043 3.918 3.960 0.001 0.000 0.260 21 G C 0.161 175.098 174.900 0.062 0.000 0.986 21 G CA 0.292 45.423 45.100 0.052 0.000 0.683 21 G HN 1.386 nan 8.290 nan 0.000 0.527 22 A N -1.054 121.816 122.820 0.083 0.000 2.423 22 A HA 1.063 5.384 4.320 0.001 0.000 0.304 22 A C 0.135 177.787 177.584 0.114 0.000 1.104 22 A CA 0.580 52.675 52.037 0.097 0.000 0.757 22 A CB 1.820 20.889 19.000 0.114 0.000 1.313 22 A HN 1.824 nan 8.150 nan 0.000 0.423 23 T N -1.690 112.935 114.554 0.119 0.000 2.841 23 T HA 0.827 5.178 4.350 0.001 0.000 0.296 23 T C -0.633 174.184 174.700 0.194 0.000 1.166 23 T CA -0.455 61.703 62.100 0.097 0.000 1.007 23 T CB 1.173 70.035 68.868 -0.010 0.000 1.253 23 T HN 1.634 nan 8.240 nan 0.000 0.511 24 F N -1.259 118.717 119.950 0.044 0.000 2.650 24 F HA 0.906 5.434 4.527 0.001 0.000 0.320 24 F C -0.840 174.985 175.800 0.042 0.000 1.091 24 F CA -1.252 56.772 58.000 0.040 0.000 0.962 24 F CB 1.381 40.404 39.000 0.039 0.000 1.363 24 F HN 0.671 nan 8.300 nan 0.000 0.482 25 E N 0.459 120.752 120.200 0.156 0.000 2.195 25 E HA 0.395 4.746 4.350 0.001 0.000 0.271 25 E C -1.245 175.447 176.600 0.154 0.000 0.923 25 E CA -1.092 55.338 56.400 0.050 0.000 0.790 25 E CB 2.185 31.920 29.700 0.058 0.000 1.155 25 E HN 0.729 nan 8.360 nan 0.000 0.402 26 T N 2.925 117.526 114.554 0.078 0.000 2.829 26 T HA 0.479 4.830 4.350 0.001 0.000 0.282 26 T C -0.656 174.099 174.700 0.091 0.000 0.990 26 T CA -0.684 61.492 62.100 0.127 0.000 1.028 26 T CB 0.356 69.305 68.868 0.137 0.000 0.951 26 T HN 0.205 nan 8.240 nan 0.000 0.460 27 I N 4.368 124.991 120.570 0.088 0.000 2.530 27 I HA 0.370 4.541 4.170 0.001 0.000 0.297 27 I C 0.475 176.624 176.117 0.054 0.000 1.011 27 I CA -1.161 60.187 61.300 0.080 0.000 1.107 27 I CB 1.644 39.714 38.000 0.116 0.000 1.285 27 I HN 0.761 nan 8.210 nan 0.000 0.436 28 N N 7.310 126.040 118.700 0.050 0.000 2.406 28 N HA 0.231 4.972 4.740 0.001 0.000 0.251 28 N C -1.681 173.826 175.510 -0.005 0.000 1.069 28 N CA -1.285 51.775 53.050 0.017 0.000 0.947 28 N CB 1.271 39.771 38.487 0.021 0.000 1.111 28 N HN 0.316 nan 8.380 nan 0.000 0.497 29 P HA -0.064 nan 4.420 nan 0.000 0.234 29 P C 0.492 177.630 177.300 -0.271 0.000 1.167 29 P CA 0.589 63.529 63.100 -0.266 0.000 0.763 29 P CB 0.264 31.743 31.700 -0.368 0.000 0.835 30 A N 1.015 123.758 122.820 -0.129 0.000 2.072 30 A HA -0.048 4.273 4.320 0.001 0.000 0.216 30 A C 1.526 179.193 177.584 0.139 0.000 1.156 30 A CA 1.245 53.266 52.037 -0.026 0.000 0.701 30 A CB -0.631 18.391 19.000 0.036 0.000 0.816 30 A HN 0.364 nan 8.150 nan 0.000 0.458 31 N N -4.122 114.646 118.700 0.113 0.000 1.986 31 N HA 0.213 4.953 4.740 0.001 0.000 0.227 31 N C 0.844 176.453 175.510 0.164 0.000 1.387 31 N CA 0.982 54.117 53.050 0.142 0.000 0.810 31 N CB -0.292 38.243 38.487 0.080 0.000 1.140 31 N HN 0.668 nan 8.380 nan 0.000 0.504 32 G N 0.412 109.344 108.800 0.221 0.000 2.184 32 G HA2 -0.372 3.589 3.960 0.001 0.000 0.264 32 G HA3 -0.372 3.589 3.960 0.001 0.000 0.264 32 G C -0.275 174.683 174.900 0.097 0.000 0.975 32 G CA 0.443 45.672 45.100 0.215 0.000 0.642 32 G HN 0.662 nan 8.290 nan 0.000 0.536 33 E N 0.532 120.770 120.200 0.063 0.000 2.415 33 E HA 0.334 4.685 4.350 0.001 0.000 0.263 33 E C 0.601 177.212 176.600 0.018 0.000 0.995 33 E CA -0.407 56.004 56.400 0.018 0.000 0.915 33 E CB 0.588 30.283 29.700 -0.009 0.000 0.951 33 E HN 0.150 nan 8.360 nan 0.000 0.449 34 V N 7.200 127.116 119.914 0.002 0.000 2.479 34 V HA -0.051 4.069 4.120 0.001 0.000 0.281 34 V C 1.387 177.473 176.094 -0.014 0.000 1.031 34 V CA 0.267 62.571 62.300 0.007 0.000 1.038 34 V CB 0.721 32.543 31.823 -0.001 0.000 0.981 34 V HN 0.771 nan 8.190 nan 0.000 0.478 35 L N 4.153 125.390 121.223 0.023 0.000 2.095 35 L HA 0.365 4.706 4.340 0.001 0.000 0.204 35 L C 0.952 177.886 176.870 0.107 0.000 1.080 35 L CA 1.319 56.191 54.840 0.053 0.000 0.759 35 L CB -0.082 42.073 42.059 0.159 0.000 0.914 35 L HN 0.810 nan 8.230 nan 0.000 0.439 36 A N -0.943 121.922 122.820 0.076 0.000 2.590 36 A HA 0.413 4.734 4.320 0.001 0.000 0.294 36 A C -1.238 176.324 177.584 -0.036 0.000 1.046 36 A CA -0.777 51.293 52.037 0.054 0.000 0.684 36 A CB 0.882 19.947 19.000 0.109 0.000 1.279 36 A HN -0.066 nan 8.150 nan 0.000 0.415 37 K N 0.502 120.863 120.400 -0.065 0.000 2.218 37 K HA 0.586 4.907 4.320 0.001 0.000 0.276 37 K C -0.886 175.577 176.600 -0.228 0.000 1.022 37 K CA -0.307 55.895 56.287 -0.141 0.000 0.946 37 K CB 1.435 33.884 32.500 -0.085 0.000 1.000 37 K HN 0.434 nan 8.250 nan 0.000 0.468 38 V N 3.129 122.769 119.914 -0.457 0.000 2.577 38 V HA 0.148 4.269 4.120 0.001 0.000 0.303 38 V C -0.315 175.519 176.094 -0.433 0.000 1.042 38 V CA -1.069 60.896 62.300 -0.559 0.000 0.872 38 V CB 1.655 32.854 31.823 -1.040 0.000 0.998 38 V HN 0.743 nan 8.190 nan 0.000 0.423 39 Q N 3.027 122.751 119.800 -0.127 0.000 2.392 39 Q HA 0.328 4.669 4.340 0.001 0.000 0.262 39 Q C -0.253 175.860 176.000 0.188 0.000 1.003 39 Q CA -0.002 55.819 55.803 0.030 0.000 0.888 39 Q CB 1.073 29.847 28.738 0.060 0.000 1.260 39 Q HN 0.535 nan 8.270 nan 0.000 0.435 40 R N 0.865 121.510 120.500 0.242 0.000 2.254 40 R HA 0.409 4.750 4.340 0.001 0.000 0.318 40 R C -0.512 175.921 176.300 0.220 0.000 1.031 40 R CA -0.455 55.817 56.100 0.287 0.000 0.905 40 R CB 1.043 31.500 30.300 0.263 0.000 1.050 40 R HN 0.580 nan 8.270 nan 0.000 0.456 41 A N 2.421 125.378 122.820 0.228 0.000 2.477 41 A HA 0.175 4.495 4.320 0.001 0.000 0.246 41 A C 0.600 178.357 177.584 0.288 0.000 1.078 41 A CA -0.278 51.887 52.037 0.214 0.000 0.770 41 A CB 0.326 19.448 19.000 0.204 0.000 1.011 41 A HN 0.830 nan 8.150 nan 0.000 0.494 42 S N 2.429 118.234 115.700 0.175 0.000 2.655 42 S HA 0.314 4.784 4.470 0.001 0.000 0.265 42 S C 1.129 175.645 174.600 -0.141 0.000 1.240 42 S CA -0.248 57.996 58.200 0.074 0.000 0.986 42 S CB 0.644 63.835 63.200 -0.015 0.000 0.985 42 S HN 0.705 nan 8.310 nan 0.000 0.562 43 R N 0.223 120.332 120.500 -0.652 0.000 2.091 43 R HA -0.088 4.253 4.340 0.001 0.000 0.238 43 R C 2.036 178.141 176.300 -0.326 0.000 1.136 43 R CA 1.893 57.493 56.100 -0.834 0.000 0.959 43 R CB -0.411 29.277 30.300 -1.020 0.000 0.856 43 R HN 0.719 nan 8.270 nan 0.000 0.437 44 E N 0.152 120.225 120.200 -0.212 0.000 2.150 44 E HA -0.138 4.213 4.350 0.001 0.000 0.193 44 E C 1.379 177.944 176.600 -0.058 0.000 0.985 44 E CA 1.040 57.375 56.400 -0.107 0.000 0.814 44 E CB -0.044 29.608 29.700 -0.080 0.000 0.752 44 E HN 0.269 nan 8.360 nan 0.000 0.466 45 D N -0.292 120.085 120.400 -0.039 0.000 2.144 45 D HA -0.098 4.543 4.640 0.001 0.000 0.200 45 D C 1.938 178.242 176.300 0.006 0.000 0.978 45 D CA 0.712 54.714 54.000 0.003 0.000 0.833 45 D CB -0.127 40.700 40.800 0.045 0.000 0.961 45 D HN 0.047 nan 8.370 nan 0.000 0.470 46 V N 1.152 121.075 119.914 0.014 0.000 2.287 46 V HA -0.254 3.867 4.120 0.001 0.000 0.248 46 V C 2.494 178.557 176.094 -0.051 0.000 1.053 46 V CA 1.793 64.106 62.300 0.020 0.000 1.027 46 V CB -0.456 31.430 31.823 0.105 0.000 0.646 46 V HN 0.099 nan 8.190 nan 0.000 0.447 47 E N 0.534 120.716 120.200 -0.031 0.000 2.085 47 E HA -0.249 4.101 4.350 0.001 0.000 0.194 47 E C 2.365 178.939 176.600 -0.043 0.000 0.994 47 E CA 1.726 58.115 56.400 -0.019 0.000 0.801 47 E CB -0.343 29.370 29.700 0.021 0.000 0.743 47 E HN 0.434 nan 8.360 nan 0.000 0.453 48 R N -0.344 120.136 120.500 -0.032 0.000 2.070 48 R HA -0.142 4.199 4.340 0.001 0.000 0.233 48 R C 2.250 178.526 176.300 -0.040 0.000 1.137 48 R CA 1.485 57.568 56.100 -0.029 0.000 0.945 48 R CB -0.515 29.773 30.300 -0.020 0.000 0.845 48 R HN 0.263 nan 8.270 nan 0.000 0.430 49 A N 0.365 123.160 122.820 -0.042 0.000 1.892 49 A HA -0.165 4.156 4.320 0.001 0.000 0.218 49 A C 2.320 179.859 177.584 -0.076 0.000 1.188 49 A CA 1.907 53.914 52.037 -0.050 0.000 0.631 49 A CB -0.797 18.181 19.000 -0.036 0.000 0.822 49 A HN 0.255 nan 8.150 nan 0.000 0.447 50 V N 0.004 119.840 119.914 -0.129 0.000 2.287 50 V HA -0.293 3.828 4.120 0.001 0.000 0.248 50 V C 2.799 178.844 176.094 -0.082 0.000 1.053 50 V CA 2.221 64.417 62.300 -0.173 0.000 1.027 50 V CB -0.723 30.845 31.823 -0.425 0.000 0.646 50 V HN 0.581 nan 8.190 nan 0.000 0.447 51 Q N -0.592 119.175 119.800 -0.055 0.000 2.119 51 Q HA -0.148 4.193 4.340 0.001 0.000 0.201 51 Q C 2.567 178.557 176.000 -0.016 0.000 0.972 51 Q CA 1.860 57.651 55.803 -0.019 0.000 0.847 51 Q CB -0.777 27.957 28.738 -0.008 0.000 0.903 51 Q HN 0.646 nan 8.270 nan 0.000 0.433 52 S N 0.725 116.410 115.700 -0.026 0.000 2.353 52 S HA -0.184 4.286 4.470 0.001 0.000 0.222 52 S C 2.027 176.617 174.600 -0.016 0.000 1.035 52 S CA 1.521 59.707 58.200 -0.023 0.000 1.025 52 S CB -0.170 63.010 63.200 -0.034 0.000 0.902 52 S HN 0.420 nan 8.310 nan 0.000 0.440 53 A N 0.800 123.607 122.820 -0.022 0.000 1.908 53 A HA -0.018 4.302 4.320 0.001 0.000 0.218 53 A C 2.398 179.988 177.584 0.011 0.000 1.181 53 A CA 1.826 53.856 52.037 -0.011 0.000 0.627 53 A CB -1.191 17.798 19.000 -0.018 0.000 0.818 53 A HN 0.472 nan 8.150 nan 0.000 0.445 54 V N 0.276 120.196 119.914 0.009 0.000 2.282 54 V HA -0.259 3.862 4.120 0.001 0.000 0.249 54 V C 2.669 178.783 176.094 0.033 0.000 1.057 54 V CA 2.385 64.700 62.300 0.025 0.000 1.032 54 V CB -0.637 31.200 31.823 0.023 0.000 0.645 54 V HN 0.546 nan 8.190 nan 0.000 0.447 55 E N 0.291 120.505 120.200 0.024 0.000 2.072 55 E HA -0.096 4.255 4.350 0.001 0.000 0.190 55 E C 2.337 178.962 176.600 0.041 0.000 0.982 55 E CA 1.358 57.776 56.400 0.029 0.000 0.803 55 E CB -0.882 28.828 29.700 0.018 0.000 0.755 55 E HN 0.601 nan 8.360 nan 0.000 0.453 56 G N 1.347 110.167 108.800 0.033 0.000 2.422 56 G HA2 -0.291 3.670 3.960 0.001 0.000 0.218 56 G HA3 -0.291 3.670 3.960 0.001 0.000 0.218 56 G C 1.498 176.452 174.900 0.089 0.000 1.146 56 G CA 0.529 45.654 45.100 0.041 0.000 0.769 56 G HN 0.181 nan 8.290 nan 0.000 0.547 57 Q N 0.655 120.511 119.800 0.092 0.000 2.170 57 Q HA -0.092 4.249 4.340 0.001 0.000 0.203 57 Q C 2.377 178.475 176.000 0.164 0.000 0.976 57 Q CA 1.326 57.223 55.803 0.158 0.000 0.858 57 Q CB -0.161 28.651 28.738 0.124 0.000 0.907 57 Q HN 0.493 nan 8.270 nan 0.000 0.433 58 K N -0.534 119.930 120.400 0.107 0.000 2.057 58 K HA -0.087 4.234 4.320 0.001 0.000 0.206 58 K C 2.183 178.839 176.600 0.093 0.000 1.050 58 K CA 1.384 57.721 56.287 0.082 0.000 0.935 58 K CB 0.002 32.536 32.500 0.056 0.000 0.715 58 K HN 0.026 nan 8.250 nan 0.000 0.439 59 V N 0.844 120.827 119.914 0.115 0.000 2.295 59 V HA -0.246 3.874 4.120 0.001 0.000 0.246 59 V C 1.980 178.185 176.094 0.185 0.000 1.049 59 V CA 1.544 63.918 62.300 0.123 0.000 1.024 59 V CB -0.575 31.317 31.823 0.115 0.000 0.648 59 V HN 0.534 nan 8.190 nan 0.000 0.447 60 W N 0.908 122.206 121.300 -0.002 0.000 2.354 60 W HA -0.234 4.426 4.660 0.001 0.000 0.315 60 W C 2.421 178.935 176.519 -0.009 0.000 1.206 60 W CA 1.633 58.972 57.345 -0.010 0.000 1.290 60 W CB -0.111 29.338 29.460 -0.018 0.000 1.152 60 W HN 0.287 nan 8.180 nan 0.000 0.489 61 A N 0.482 123.307 122.820 0.008 0.000 2.067 61 A HA 0.002 4.322 4.320 0.001 0.000 0.219 61 A C 1.945 179.474 177.584 -0.093 0.000 1.158 61 A CA 1.806 53.781 52.037 -0.104 0.000 0.661 61 A CB -1.015 17.980 19.000 -0.009 0.000 0.801 61 A HN 0.318 nan 8.150 nan 0.000 0.452 62 A N -0.876 121.920 122.820 -0.040 0.000 2.119 62 A HA 0.297 4.618 4.320 0.001 0.000 0.216 62 A C 1.273 178.820 177.584 -0.062 0.000 1.152 62 A CA 0.189 52.206 52.037 -0.034 0.000 0.708 62 A CB -0.378 18.624 19.000 0.003 0.000 0.805 62 A HN 0.549 nan 8.150 nan 0.000 0.460 63 M N 0.747 120.285 119.600 -0.104 0.000 2.207 63 M HA 0.139 4.620 4.480 0.001 0.000 0.311 63 M C 1.103 177.310 176.300 -0.154 0.000 1.127 63 M CA 0.171 55.395 55.300 -0.127 0.000 1.181 63 M CB 0.387 32.876 32.600 -0.186 0.000 1.409 63 M HN 0.439 nan 8.290 nan 0.000 0.461 64 T N -0.851 113.629 114.554 -0.123 0.000 2.813 64 T HA 0.351 4.702 4.350 0.001 0.000 0.297 64 T C 1.094 175.693 174.700 -0.168 0.000 1.036 64 T CA -0.373 61.655 62.100 -0.120 0.000 1.044 64 T CB 0.904 69.724 68.868 -0.080 0.000 0.993 64 T HN 0.686 nan 8.240 nan 0.000 0.535 65 A N 1.461 124.195 122.820 -0.145 0.000 1.892 65 A HA -0.101 4.220 4.320 0.001 0.000 0.218 65 A C 2.272 179.779 177.584 -0.129 0.000 1.188 65 A CA 2.143 54.090 52.037 -0.151 0.000 0.631 65 A CB -0.995 17.943 19.000 -0.104 0.000 0.822 65 A HN 0.849 nan 8.150 nan 0.000 0.447 66 M N -0.231 119.316 119.600 -0.089 0.000 2.229 66 M HA -0.126 4.355 4.480 0.001 0.000 0.264 66 M C 2.094 178.359 176.300 -0.058 0.000 1.063 66 M CA 1.642 56.905 55.300 -0.061 0.000 1.114 66 M CB -0.629 31.947 32.600 -0.040 0.000 1.387 66 M HN 0.542 nan 8.290 nan 0.000 0.420 67 Q N -0.725 119.029 119.800 -0.077 0.000 2.096 67 Q HA -0.197 4.144 4.340 0.001 0.000 0.204 67 Q C 2.207 178.164 176.000 -0.072 0.000 0.982 67 Q CA 1.692 57.460 55.803 -0.058 0.000 0.850 67 Q CB -0.242 28.457 28.738 -0.064 0.000 0.901 67 Q HN 0.534 nan 8.270 nan 0.000 0.422 68 R N 0.038 120.401 120.500 -0.227 0.000 2.073 68 R HA -0.127 4.214 4.340 0.001 0.000 0.234 68 R C 2.622 178.913 176.300 -0.015 0.000 1.134 68 R CA 1.450 57.351 56.100 -0.332 0.000 0.952 68 R CB -0.511 29.321 30.300 -0.779 0.000 0.850 68 R HN 0.150 nan 8.270 nan 0.000 0.433 69 S N 0.720 116.395 115.700 -0.042 0.000 2.359 69 S HA -0.188 4.283 4.470 0.001 0.000 0.224 69 S C 1.955 176.587 174.600 0.053 0.000 1.035 69 S CA 1.396 59.606 58.200 0.016 0.000 1.018 69 S CB -0.033 63.158 63.200 -0.015 0.000 0.876 69 S HN 0.272 nan 8.310 nan 0.000 0.448 70 R N 0.211 120.736 120.500 0.043 0.000 2.096 70 R HA 0.079 4.420 4.340 0.001 0.000 0.235 70 R C 2.349 178.703 176.300 0.090 0.000 1.127 70 R CA 1.669 57.802 56.100 0.055 0.000 0.968 70 R CB -0.496 29.827 30.300 0.038 0.000 0.861 70 R HN 0.475 nan 8.270 nan 0.000 0.440 71 I N 0.829 121.481 120.570 0.137 0.000 2.179 71 I HA -0.303 3.867 4.170 0.001 0.000 0.242 71 I C 2.159 178.381 176.117 0.176 0.000 1.088 71 I CA 1.408 62.818 61.300 0.184 0.000 1.357 71 I CB -0.276 37.910 38.000 0.310 0.000 1.051 71 I HN 0.144 nan 8.210 nan 0.000 0.409 72 L N -0.017 121.330 121.223 0.206 0.000 2.093 72 L HA -0.175 4.166 4.340 0.001 0.000 0.208 72 L C 2.707 179.657 176.870 0.133 0.000 1.085 72 L CA 1.292 56.242 54.840 0.183 0.000 0.755 72 L CB -0.607 41.569 42.059 0.194 0.000 0.904 72 L HN 0.187 nan 8.230 nan 0.000 0.435 73 R N -0.231 120.330 120.500 0.102 0.000 2.092 73 R HA -0.172 4.169 4.340 0.001 0.000 0.231 73 R C 2.412 178.749 176.300 0.061 0.000 1.119 73 R CA 1.063 57.206 56.100 0.072 0.000 0.970 73 R CB -0.214 30.119 30.300 0.054 0.000 0.864 73 R HN 0.121 nan 8.270 nan 0.000 0.440 74 R N 1.038 121.579 120.500 0.068 0.000 2.075 74 R HA -0.018 4.323 4.340 0.001 0.000 0.232 74 R C 1.925 178.251 176.300 0.044 0.000 1.126 74 R CA 1.776 57.908 56.100 0.054 0.000 0.963 74 R CB -0.658 29.677 30.300 0.058 0.000 0.858 74 R HN 0.199 nan 8.270 nan 0.000 0.435 75 A N -0.002 122.856 122.820 0.063 0.000 1.908 75 A HA -0.130 4.191 4.320 0.001 0.000 0.218 75 A C 2.338 179.915 177.584 -0.012 0.000 1.181 75 A CA 1.900 53.953 52.037 0.027 0.000 0.627 75 A CB -0.894 18.169 19.000 0.106 0.000 0.818 75 A HN 0.186 nan 8.150 nan 0.000 0.445 76 V N 0.893 120.822 119.914 0.025 0.000 2.282 76 V HA -0.317 3.804 4.120 0.001 0.000 0.249 76 V C 2.220 178.318 176.094 0.007 0.000 1.057 76 V CA 2.438 64.748 62.300 0.017 0.000 1.032 76 V CB -0.912 30.936 31.823 0.041 0.000 0.645 76 V HN 0.543 nan 8.190 nan 0.000 0.447 77 D N -0.072 120.337 120.400 0.014 0.000 2.123 77 D HA -0.142 4.499 4.640 0.001 0.000 0.196 77 D C 2.050 178.350 176.300 -0.001 0.000 0.992 77 D CA 1.468 55.474 54.000 0.011 0.000 0.833 77 D CB -0.247 40.563 40.800 0.017 0.000 0.954 77 D HN 0.438 nan 8.370 nan 0.000 0.455 78 I N 0.473 121.037 120.570 -0.010 0.000 2.252 78 I HA -0.223 3.948 4.170 0.001 0.000 0.245 78 I C 2.398 178.492 176.117 -0.038 0.000 1.102 78 I CA 0.628 61.914 61.300 -0.024 0.000 1.385 78 I CB -0.180 37.801 38.000 -0.032 0.000 1.064 78 I HN -0.045 nan 8.210 nan 0.000 0.414 79 L N 0.152 121.342 121.223 -0.053 0.000 2.083 79 L HA -0.181 4.160 4.340 0.001 0.000 0.209 79 L C 2.806 179.659 176.870 -0.027 0.000 1.083 79 L CA 1.074 55.879 54.840 -0.059 0.000 0.752 79 L CB -0.605 41.409 42.059 -0.075 0.000 0.899 79 L HN 0.197 nan 8.230 nan 0.000 0.433 80 R N 0.054 120.547 120.500 -0.012 0.000 2.073 80 R HA -0.176 4.165 4.340 0.001 0.000 0.234 80 R C 2.058 178.358 176.300 -0.000 0.000 1.134 80 R CA 1.291 57.392 56.100 0.001 0.000 0.952 80 R CB -0.675 29.630 30.300 0.008 0.000 0.850 80 R HN 0.473 nan 8.270 nan 0.000 0.433 81 E N 0.897 121.095 120.200 -0.003 0.000 2.077 81 E HA -0.143 4.208 4.350 0.001 0.000 0.193 81 E C 1.347 177.944 176.600 -0.005 0.000 0.989 81 E CA 1.035 57.434 56.400 -0.002 0.000 0.800 81 E CB 0.139 29.838 29.700 -0.002 0.000 0.746 81 E HN 0.218 nan 8.360 nan 0.000 0.452 82 R N 0.500 120.991 120.500 -0.014 0.000 2.356 82 R HA 0.079 4.420 4.340 0.001 0.000 0.234 82 R C 1.815 178.104 176.300 -0.017 0.000 0.929 82 R CA -0.147 55.943 56.100 -0.018 0.000 1.084 82 R CB -0.140 30.141 30.300 -0.031 0.000 1.105 82 R HN 0.241 nan 8.270 nan 0.000 0.515 83 N N 1.919 120.613 118.700 -0.010 0.000 2.036 83 N HA -0.220 4.521 4.740 0.001 0.000 0.195 83 N C 0.615 176.123 175.510 -0.003 0.000 1.037 83 N CA 1.856 54.902 53.050 -0.006 0.000 0.855 83 N CB 0.123 38.613 38.487 0.005 0.000 1.033 83 N HN 0.129 nan 8.380 nan 0.000 0.423 84 D N 0.529 120.930 120.400 0.002 0.000 2.144 84 D HA -0.142 4.499 4.640 0.001 0.000 0.200 84 D C 1.799 178.101 176.300 0.004 0.000 0.978 84 D CA 0.645 54.648 54.000 0.006 0.000 0.833 84 D CB -0.379 40.427 40.800 0.009 0.000 0.961 84 D HN 0.584 nan 8.370 nan 0.000 0.470 85 E N 0.617 120.817 120.200 0.000 0.000 2.077 85 E HA -0.146 4.205 4.350 0.001 0.000 0.193 85 E C 2.130 178.724 176.600 -0.010 0.000 0.989 85 E CA 0.638 57.038 56.400 -0.001 0.000 0.800 85 E CB -0.103 29.595 29.700 -0.004 0.000 0.746 85 E HN 0.238 nan 8.360 nan 0.000 0.452 86 L N 0.439 121.650 121.223 -0.021 0.000 2.156 86 L HA -0.047 4.293 4.340 0.001 0.000 0.208 86 L C 2.719 179.576 176.870 -0.023 0.000 1.095 86 L CA 0.776 55.597 54.840 -0.032 0.000 0.770 86 L CB -0.387 41.644 42.059 -0.045 0.000 0.914 86 L HN 0.196 nan 8.230 nan 0.000 0.439 87 A N 0.337 123.149 122.820 -0.014 0.000 1.902 87 A HA -0.173 4.148 4.320 0.001 0.000 0.217 87 A C 2.575 180.154 177.584 -0.009 0.000 1.181 87 A CA 1.704 53.734 52.037 -0.012 0.000 0.623 87 A CB -0.688 18.310 19.000 -0.003 0.000 0.818 87 A HN 0.374 nan 8.150 nan 0.000 0.443 88 A N -0.387 122.435 122.820 0.003 0.000 1.865 88 A HA -0.117 4.204 4.320 0.001 0.000 0.217 88 A C 2.151 179.752 177.584 0.028 0.000 1.191 88 A CA 1.899 53.947 52.037 0.017 0.000 0.623 88 A CB -0.768 18.249 19.000 0.029 0.000 0.826 88 A HN 0.676 nan 8.150 nan 0.000 0.444 89 L N -0.191 121.045 121.223 0.022 0.000 2.012 89 L HA -0.175 4.166 4.340 0.001 0.000 0.210 89 L C 2.297 179.176 176.870 0.015 0.000 1.073 89 L CA 2.781 57.634 54.840 0.022 0.000 0.748 89 L CB -0.777 41.261 42.059 -0.036 0.000 0.891 89 L HN 0.524 nan 8.230 nan 0.000 0.431 90 E N -1.167 119.028 120.200 -0.009 0.000 2.097 90 E HA -0.213 4.137 4.350 0.001 0.000 0.196 90 E C 2.044 178.624 176.600 -0.033 0.000 1.000 90 E CA 2.017 58.404 56.400 -0.022 0.000 0.804 90 E CB -0.303 29.372 29.700 -0.041 0.000 0.740 90 E HN 0.528 nan 8.360 nan 0.000 0.454 91 T N 0.506 115.042 114.554 -0.032 0.000 2.708 91 T HA -0.102 4.249 4.350 0.001 0.000 0.266 91 T C 1.790 176.475 174.700 -0.026 0.000 1.037 91 T CA 1.210 63.284 62.100 -0.044 0.000 1.146 91 T CB -0.257 68.591 68.868 -0.033 0.000 0.865 91 T HN 0.130 nan 8.240 nan 0.000 0.435 92 L N 0.760 121.992 121.223 0.015 0.000 2.043 92 L HA -0.166 4.175 4.340 0.001 0.000 0.212 92 L C 2.467 179.352 176.870 0.025 0.000 1.075 92 L CA 1.444 56.308 54.840 0.039 0.000 0.752 92 L CB -0.431 41.696 42.059 0.112 0.000 0.891 92 L HN 0.214 nan 8.230 nan 0.000 0.432 93 D N -1.275 119.140 120.400 0.026 0.000 2.271 93 D HA -0.093 4.548 4.640 0.001 0.000 0.206 93 D C 1.997 178.288 176.300 -0.015 0.000 0.967 93 D CA 1.406 55.423 54.000 0.029 0.000 0.867 93 D CB 0.324 41.155 40.800 0.052 0.000 0.960 93 D HN 0.338 nan 8.370 nan 0.000 0.509 94 T N -4.757 109.767 114.554 -0.050 0.000 2.969 94 T HA 0.338 4.688 4.350 0.001 0.000 0.250 94 T C 1.741 176.344 174.700 -0.161 0.000 1.021 94 T CA 0.732 62.778 62.100 -0.089 0.000 1.003 94 T CB 0.731 69.549 68.868 -0.084 0.000 1.040 94 T HN 0.090 nan 8.240 nan 0.000 0.492 95 G N 1.884 110.591 108.800 -0.154 0.000 2.176 95 G HA2 -0.249 3.712 3.960 0.001 0.000 0.253 95 G HA3 -0.249 3.712 3.960 0.001 0.000 0.253 95 G C 0.042 174.815 174.900 -0.213 0.000 0.979 95 G CA 0.132 45.111 45.100 -0.202 0.000 0.641 95 G HN 0.658 nan 8.290 nan 0.000 0.530 96 K N 1.380 121.657 120.400 -0.205 0.000 2.401 96 K HA 0.318 4.639 4.320 0.001 0.000 0.278 96 K C -2.338 174.152 176.600 -0.182 0.000 1.018 96 K CA -1.404 54.739 56.287 -0.240 0.000 0.981 96 K CB 0.620 32.957 32.500 -0.272 0.000 0.933 96 K HN 0.074 nan 8.250 nan 0.000 0.477 97 P HA -0.082 nan 4.420 nan 0.000 0.265 97 P C 0.680 177.927 177.300 -0.088 0.000 1.193 97 P CA -0.208 62.821 63.100 -0.118 0.000 0.765 97 P CB 0.427 32.049 31.700 -0.129 0.000 0.823 98 L N 3.765 124.961 121.223 -0.045 0.000 2.129 98 L HA -0.239 4.102 4.340 0.001 0.000 0.212 98 L C 2.267 179.129 176.870 -0.013 0.000 1.087 98 L CA 2.088 56.913 54.840 -0.023 0.000 0.757 98 L CB -1.955 40.102 42.059 -0.004 0.000 0.896 98 L HN 0.429 nan 8.230 nan 0.000 0.434 99 A N -1.217 121.596 122.820 -0.011 0.000 1.978 99 A HA -0.206 4.115 4.320 0.001 0.000 0.220 99 A C 2.192 179.792 177.584 0.027 0.000 1.170 99 A CA 1.676 53.720 52.037 0.012 0.000 0.636 99 A CB -0.302 18.709 19.000 0.020 0.000 0.810 99 A HN 0.570 nan 8.150 nan 0.000 0.448 100 E N -0.752 119.432 120.200 -0.027 0.000 2.042 100 E HA -0.109 4.242 4.350 0.001 0.000 0.189 100 E C 2.316 178.932 176.600 0.027 0.000 0.974 100 E CA 1.453 57.853 56.400 0.000 0.000 0.806 100 E CB -0.461 29.111 29.700 -0.214 0.000 0.769 100 E HN 0.795 nan 8.360 nan 0.000 0.451 101 T N 0.108 114.642 114.554 -0.034 0.000 2.803 101 T HA -0.126 4.224 4.350 0.001 0.000 0.269 101 T C 1.878 176.585 174.700 0.013 0.000 1.052 101 T CA 0.812 62.898 62.100 -0.024 0.000 1.136 101 T CB -0.216 68.621 68.868 -0.052 0.000 0.864 101 T HN 0.017 nan 8.240 nan 0.000 0.467 102 R N 1.267 121.779 120.500 0.020 0.000 2.148 102 R HA 0.057 4.398 4.340 0.001 0.000 0.223 102 R C 2.812 179.140 176.300 0.047 0.000 1.088 102 R CA 1.500 57.617 56.100 0.028 0.000 0.985 102 R CB -0.236 30.078 30.300 0.024 0.000 0.880 102 R HN 0.697 nan 8.270 nan 0.000 0.451 103 S N -1.242 114.500 115.700 0.070 0.000 2.506 103 S HA 0.110 4.581 4.470 0.001 0.000 0.219 103 S C 1.653 176.320 174.600 0.111 0.000 1.031 103 S CA -0.220 58.032 58.200 0.086 0.000 0.911 103 S CB 0.520 63.779 63.200 0.098 0.000 0.812 103 S HN -0.010 nan 8.310 nan 0.000 0.497 104 V N 1.642 121.641 119.914 0.141 0.000 3.001 104 V HA 0.122 4.243 4.120 0.001 0.000 0.228 104 V C 1.791 177.989 176.094 0.173 0.000 1.204 104 V CA 1.040 63.452 62.300 0.187 0.000 1.247 104 V CB -0.774 31.240 31.823 0.318 0.000 1.093 104 V HN 0.253 nan 8.190 nan 0.000 0.504 105 D N 1.063 121.555 120.400 0.154 0.000 2.137 105 D HA -0.226 4.415 4.640 0.001 0.000 0.189 105 D C 1.815 178.159 176.300 0.074 0.000 0.998 105 D CA 2.139 56.210 54.000 0.118 0.000 0.839 105 D CB -0.219 40.595 40.800 0.024 0.000 0.962 105 D HN 0.386 nan 8.370 nan 0.000 0.446 106 I N -0.144 120.454 120.570 0.046 0.000 2.333 106 I HA -0.147 4.024 4.170 0.001 0.000 0.246 106 I C 2.311 178.462 176.117 0.057 0.000 1.106 106 I CA 0.447 61.764 61.300 0.029 0.000 1.411 106 I CB -0.387 37.614 38.000 0.000 0.000 1.082 106 I HN -0.067 nan 8.210 nan 0.000 0.420 107 V N 0.822 120.778 119.914 0.070 0.000 2.231 107 V HA -0.349 3.772 4.120 0.001 0.000 0.248 107 V C 2.653 178.813 176.094 0.111 0.000 1.054 107 V CA 2.744 65.090 62.300 0.077 0.000 1.015 107 V CB -1.416 30.452 31.823 0.075 0.000 0.638 107 V HN 0.679 nan 8.190 nan 0.000 0.444 108 T N -2.401 112.247 114.554 0.157 0.000 3.054 108 T HA 0.081 4.431 4.350 0.001 0.000 0.259 108 T C 1.894 176.837 174.700 0.406 0.000 1.092 108 T CA 1.042 63.287 62.100 0.242 0.000 1.121 108 T CB -0.163 68.874 68.868 0.283 0.000 0.912 108 T HN 0.459 nan 8.240 nan 0.000 0.489 109 G N 1.662 110.637 108.800 0.291 0.000 2.433 109 G HA2 0.019 3.980 3.960 0.001 0.000 0.216 109 G HA3 0.019 3.980 3.960 0.001 0.000 0.216 109 G C 1.896 176.946 174.900 0.250 0.000 1.186 109 G CA 0.771 46.055 45.100 0.307 0.000 0.779 109 G HN 0.709 nan 8.290 nan 0.000 0.543 110 A N 0.647 123.546 122.820 0.132 0.000 2.015 110 A HA 0.012 4.333 4.320 0.001 0.000 0.219 110 A C 2.037 179.680 177.584 0.099 0.000 1.163 110 A CA 1.937 54.027 52.037 0.088 0.000 0.646 110 A CB -0.314 18.707 19.000 0.035 0.000 0.806 110 A HN 0.280 nan 8.150 nan 0.000 0.448 111 D N -0.177 120.287 120.400 0.106 0.000 2.149 111 D HA -0.113 4.528 4.640 0.001 0.000 0.198 111 D C 1.997 178.317 176.300 0.033 0.000 0.990 111 D CA 1.410 55.447 54.000 0.061 0.000 0.839 111 D CB -0.241 40.585 40.800 0.042 0.000 0.948 111 D HN 0.248 nan 8.370 nan 0.000 0.460 112 V N 0.870 120.810 119.914 0.042 0.000 2.379 112 V HA -0.167 3.954 4.120 0.001 0.000 0.245 112 V C 2.407 178.590 176.094 0.148 0.000 1.044 112 V CA 0.787 63.064 62.300 -0.039 0.000 1.036 112 V CB -0.334 31.345 31.823 -0.239 0.000 0.664 112 V HN 0.127 nan 8.190 nan 0.000 0.453 113 L N 0.503 121.841 121.223 0.192 0.000 2.042 113 L HA -0.195 4.146 4.340 0.001 0.000 0.210 113 L C 2.389 179.357 176.870 0.163 0.000 1.076 113 L CA 2.310 57.274 54.840 0.207 0.000 0.749 113 L CB -0.716 41.440 42.059 0.160 0.000 0.893 113 L HN 0.437 nan 8.230 nan 0.000 0.432 114 E N -1.748 118.521 120.200 0.115 0.000 2.058 114 E HA -0.323 4.028 4.350 0.001 0.000 0.194 114 E C 2.207 178.855 176.600 0.079 0.000 0.997 114 E CA 1.659 58.111 56.400 0.086 0.000 0.801 114 E CB -0.414 29.327 29.700 0.068 0.000 0.746 114 E HN 0.617 nan 8.360 nan 0.000 0.450 115 Y N -0.014 120.227 120.300 -0.099 0.000 2.070 115 Y HA -0.311 4.239 4.550 0.001 0.000 0.280 115 Y C 1.882 177.669 175.900 -0.188 0.000 1.148 115 Y CA 2.109 60.081 58.100 -0.214 0.000 1.125 115 Y CB -0.625 37.590 38.460 -0.409 0.000 0.975 115 Y HN 0.150 nan 8.280 nan 0.000 0.492 116 Y N -0.237 120.052 120.300 -0.018 0.000 2.293 116 Y HA -0.077 4.474 4.550 0.001 0.000 0.291 116 Y C 2.640 178.492 175.900 -0.081 0.000 1.137 116 Y CA 0.862 58.894 58.100 -0.114 0.000 1.202 116 Y CB -1.220 37.240 38.460 0.001 0.000 0.990 116 Y HN 0.262 nan 8.280 nan 0.000 0.537 117 A N -0.066 122.824 122.820 0.115 0.000 1.940 117 A HA -0.134 4.187 4.320 0.001 0.000 0.219 117 A C 2.562 180.156 177.584 0.016 0.000 1.176 117 A CA 1.813 53.897 52.037 0.078 0.000 0.631 117 A CB -1.354 17.699 19.000 0.089 0.000 0.814 117 A HN 0.446 nan 8.150 nan 0.000 0.446 118 G N -0.920 107.862 108.800 -0.030 0.000 2.650 118 G HA2 0.120 4.080 3.960 0.001 0.000 0.214 118 G HA3 0.120 4.080 3.960 0.001 0.000 0.214 118 G C 1.267 176.114 174.900 -0.087 0.000 1.136 118 G CA 0.616 45.682 45.100 -0.056 0.000 0.789 118 G HN 0.445 nan 8.290 nan 0.000 0.536 119 L N 0.578 121.733 121.223 -0.114 0.000 2.567 119 L HA 0.097 4.438 4.340 0.001 0.000 0.225 119 L C 2.513 179.356 176.870 -0.044 0.000 1.119 119 L CA -0.299 54.476 54.840 -0.108 0.000 0.871 119 L CB 0.085 42.033 42.059 -0.185 0.000 1.036 119 L HN -0.007 nan 8.230 nan 0.000 0.459 120 V N 0.947 120.844 119.914 -0.029 0.000 2.278 120 V HA -0.223 3.898 4.120 0.001 0.000 0.251 120 V C -0.180 175.883 176.094 -0.052 0.000 1.062 120 V CA 2.124 64.400 62.300 -0.040 0.000 1.038 120 V CB -1.666 30.121 31.823 -0.060 0.000 0.646 120 V HN 0.414 nan 8.190 nan 0.000 0.447 121 P HA 0.040 nan 4.420 nan 0.000 0.233 121 P C 1.069 178.346 177.300 -0.039 0.000 1.167 121 P CA 1.327 64.398 63.100 -0.048 0.000 0.770 121 P CB -0.060 31.614 31.700 -0.044 0.000 0.837 122 A N -0.745 122.053 122.820 -0.037 0.000 2.238 122 A HA 0.122 4.442 4.320 0.001 0.000 0.210 122 A C 0.972 178.546 177.584 -0.018 0.000 1.179 122 A CA -0.135 51.884 52.037 -0.029 0.000 0.827 122 A CB -0.791 18.187 19.000 -0.037 0.000 0.856 122 A HN 0.102 nan 8.150 nan 0.000 0.488 123 I N 1.831 122.390 120.570 -0.017 0.000 2.494 123 I HA 0.069 4.240 4.170 0.001 0.000 0.289 123 I C -0.154 175.959 176.117 -0.006 0.000 1.106 123 I CA 0.547 61.843 61.300 -0.007 0.000 1.369 123 I CB 0.082 38.076 38.000 -0.009 0.000 1.410 123 I HN 0.327 nan 8.210 nan 0.000 0.523 124 E N 4.177 124.378 120.200 0.002 0.000 2.343 124 E HA 0.555 4.906 4.350 0.001 0.000 0.270 124 E C 0.009 176.620 176.600 0.019 0.000 0.895 124 E CA -0.811 55.593 56.400 0.008 0.000 0.767 124 E CB 2.244 31.947 29.700 0.006 0.000 1.248 124 E HN 0.647 nan 8.360 nan 0.000 0.440 125 G N 0.923 109.745 108.800 0.036 0.000 2.531 125 G HA2 0.367 4.328 3.960 0.001 0.000 0.281 125 G HA3 0.367 4.328 3.960 0.001 0.000 0.281 125 G C -0.448 174.487 174.900 0.058 0.000 1.382 125 G CA -0.300 44.832 45.100 0.053 0.000 1.045 125 G HN 0.442 nan 8.290 nan 0.000 0.533 126 E N -1.041 119.204 120.200 0.075 0.000 2.249 126 E HA 0.462 4.813 4.350 0.001 0.000 0.263 126 E C -0.849 175.830 176.600 0.133 0.000 0.950 126 E CA -0.707 55.740 56.400 0.077 0.000 0.827 126 E CB 2.033 31.765 29.700 0.054 0.000 1.220 126 E HN 0.264 nan 8.360 nan 0.000 0.411 127 Q N 1.780 121.656 119.800 0.127 0.000 2.305 127 Q HA 0.405 4.746 4.340 0.001 0.000 0.271 127 Q C -1.840 174.245 176.000 0.143 0.000 1.046 127 Q CA -0.687 55.230 55.803 0.190 0.000 0.798 127 Q CB 1.491 30.338 28.738 0.182 0.000 1.286 127 Q HN 0.540 nan 8.270 nan 0.000 0.435 128 I N 5.754 126.427 120.570 0.172 0.000 2.468 128 I HA 0.383 4.554 4.170 0.001 0.000 0.285 128 I C -2.353 173.863 176.117 0.166 0.000 1.039 128 I CA -1.867 59.507 61.300 0.123 0.000 1.074 128 I CB 2.000 40.047 38.000 0.080 0.000 1.228 128 I HN 0.323 nan 8.210 nan 0.000 0.436 129 P HA 0.281 nan 4.420 nan 0.000 0.279 129 P C 0.225 177.589 177.300 0.106 0.000 1.239 129 P CA -0.247 62.937 63.100 0.139 0.000 0.789 129 P CB 1.375 33.116 31.700 0.067 0.000 0.933 130 L N 2.107 123.401 121.223 0.118 0.000 2.269 130 L HA 0.245 4.586 4.340 0.001 0.000 0.200 130 L C 1.267 178.172 176.870 0.058 0.000 1.069 130 L CA 0.787 55.671 54.840 0.074 0.000 0.804 130 L CB -0.201 41.898 42.059 0.066 0.000 0.987 130 L HN 0.524 nan 8.230 nan 0.000 0.468 131 R N -1.918 118.624 120.500 0.070 0.000 2.780 131 R HA 0.115 4.456 4.340 0.001 0.000 0.280 131 R C 0.260 176.597 176.300 0.063 0.000 1.016 131 R CA -0.745 55.386 56.100 0.051 0.000 0.854 131 R CB 0.721 31.046 30.300 0.041 0.000 1.293 131 R HN -0.264 nan 8.270 nan 0.000 0.483 132 E N 0.657 120.884 120.200 0.045 0.000 2.160 132 E HA -0.147 4.204 4.350 0.001 0.000 0.195 132 E C 0.885 177.525 176.600 0.067 0.000 0.991 132 E CA 2.403 58.829 56.400 0.043 0.000 0.810 132 E CB 0.082 29.798 29.700 0.026 0.000 0.742 132 E HN 0.694 nan 8.360 nan 0.000 0.466 133 T N -2.290 112.308 114.554 0.073 0.000 3.107 133 T HA 0.187 4.538 4.350 0.001 0.000 0.249 133 T C 0.592 175.365 174.700 0.122 0.000 1.096 133 T CA -0.127 62.027 62.100 0.089 0.000 1.012 133 T CB 0.343 69.249 68.868 0.064 0.000 0.977 133 T HN -0.045 nan 8.240 nan 0.000 0.527 134 S N 0.584 116.375 115.700 0.152 0.000 2.566 134 S HA 0.663 5.134 4.470 0.001 0.000 0.273 134 S C -1.495 173.262 174.600 0.261 0.000 1.157 134 S CA -1.126 57.169 58.200 0.159 0.000 0.938 134 S CB 0.807 64.051 63.200 0.074 0.000 1.087 134 S HN 0.487 nan 8.310 nan 0.000 0.474 135 F N 2.534 122.511 119.950 0.045 0.000 2.629 135 F HA 0.898 5.425 4.527 0.001 0.000 0.316 135 F C -0.838 174.999 175.800 0.062 0.000 1.081 135 F CA -1.229 56.803 58.000 0.053 0.000 0.954 135 F CB 1.217 40.256 39.000 0.065 0.000 1.337 135 F HN 0.418 nan 8.300 nan 0.000 0.474 136 V N 2.931 122.880 119.914 0.058 0.000 2.628 136 V HA 0.745 4.866 4.120 0.001 0.000 0.306 136 V C -1.655 174.527 176.094 0.147 0.000 1.045 136 V CA -0.700 61.555 62.300 -0.074 0.000 0.905 136 V CB 1.586 33.358 31.823 -0.085 0.000 0.997 136 V HN 1.019 nan 8.190 nan 0.000 0.436 137 Y N 2.352 122.634 120.300 -0.029 0.000 2.562 137 Y HA 0.922 5.473 4.550 0.001 0.000 0.343 137 Y C -0.081 175.818 175.900 -0.002 0.000 1.025 137 Y CA -0.372 57.755 58.100 0.044 0.000 1.082 137 Y CB 1.740 40.262 38.460 0.104 0.000 1.264 137 Y HN 0.835 nan 8.280 nan 0.000 0.478 138 T N -0.007 114.623 114.554 0.128 0.000 2.912 138 T HA 0.728 5.079 4.350 0.001 0.000 0.288 138 T C -0.798 173.977 174.700 0.125 0.000 1.030 138 T CA -1.140 60.975 62.100 0.026 0.000 1.020 138 T CB 1.756 70.631 68.868 0.012 0.000 1.056 138 T HN 0.835 nan 8.240 nan 0.000 0.480 139 R N 0.802 121.340 120.500 0.064 0.000 2.562 139 R HA 0.505 4.846 4.340 0.001 0.000 0.298 139 R C -0.246 176.070 176.300 0.026 0.000 0.961 139 R CA -0.898 55.248 56.100 0.075 0.000 0.881 139 R CB 1.923 32.273 30.300 0.083 0.000 1.159 139 R HN 0.527 nan 8.270 nan 0.000 0.450 140 R N 2.408 122.921 120.500 0.022 0.000 2.287 140 R HA 0.121 4.462 4.340 0.001 0.000 0.327 140 R C -0.460 175.846 176.300 0.010 0.000 1.109 140 R CA -0.196 55.907 56.100 0.006 0.000 1.013 140 R CB 0.725 31.024 30.300 -0.001 0.000 1.126 140 R HN 0.534 nan 8.270 nan 0.000 0.503 141 E N 3.225 123.431 120.200 0.011 0.000 2.283 141 E HA 0.245 4.596 4.350 0.001 0.000 0.267 141 E C -2.304 174.314 176.600 0.029 0.000 1.045 141 E CA -2.186 54.223 56.400 0.016 0.000 0.884 141 E CB 0.748 30.457 29.700 0.016 0.000 1.106 141 E HN 0.179 nan 8.360 nan 0.000 0.408 142 P HA -0.026 nan 4.420 nan 0.000 0.269 142 P C 0.172 177.514 177.300 0.071 0.000 1.215 142 P CA 0.161 63.301 63.100 0.067 0.000 0.780 142 P CB 0.533 32.275 31.700 0.070 0.000 0.898 143 L N 1.036 122.318 121.223 0.098 0.000 2.201 143 L HA 0.020 4.360 4.340 0.001 0.000 0.212 143 L C 1.715 178.636 176.870 0.085 0.000 1.105 143 L CA 1.908 56.801 54.840 0.088 0.000 0.775 143 L CB -0.871 41.254 42.059 0.109 0.000 0.913 143 L HN 0.808 nan 8.230 nan 0.000 0.440 144 G N -1.110 107.748 108.800 0.097 0.000 2.955 144 G HA2 -0.225 3.735 3.960 0.001 0.000 0.230 144 G HA3 -0.225 3.735 3.960 0.001 0.000 0.230 144 G C -0.403 174.556 174.900 0.098 0.000 1.587 144 G CA -0.299 44.855 45.100 0.089 0.000 1.216 144 G HN -0.111 nan 8.290 nan 0.000 0.527 145 V N 2.136 122.101 119.914 0.086 0.000 2.394 145 V HA 0.658 4.779 4.120 0.001 0.000 0.282 145 V C 0.847 177.001 176.094 0.101 0.000 1.031 145 V CA 0.106 62.454 62.300 0.078 0.000 0.881 145 V CB 0.884 32.736 31.823 0.047 0.000 0.982 145 V HN 1.585 nan 8.190 nan 0.000 0.451 146 V N 2.201 122.188 119.914 0.121 0.000 3.046 146 V HA 1.075 5.195 4.120 0.001 0.000 0.316 146 V C -0.241 175.942 176.094 0.148 0.000 1.104 146 V CA -0.835 61.562 62.300 0.162 0.000 1.006 146 V CB 2.064 34.045 31.823 0.263 0.000 1.058 146 V HN 1.116 nan 8.190 nan 0.000 0.440 147 A N 0.960 123.880 122.820 0.166 0.000 2.393 147 A HA 0.957 5.278 4.320 0.001 0.000 0.306 147 A C -0.076 177.626 177.584 0.196 0.000 1.050 147 A CA -0.133 51.991 52.037 0.146 0.000 0.724 147 A CB 1.467 20.523 19.000 0.094 0.000 1.248 147 A HN 1.999 nan 8.150 nan 0.000 0.424 148 G N 0.833 109.765 108.800 0.220 0.000 2.461 148 G HA2 0.606 4.567 3.960 0.001 0.000 0.323 148 G HA3 0.606 4.567 3.960 0.001 0.000 0.323 148 G C -0.889 173.961 174.900 -0.082 0.000 1.229 148 G CA -0.462 44.798 45.100 0.267 0.000 0.941 148 G HN 0.658 nan 8.290 nan 0.000 0.477 149 I N 1.975 122.513 120.570 -0.053 0.000 2.418 149 I HA 0.453 4.623 4.170 0.001 0.000 0.287 149 I C 0.758 176.743 176.117 -0.220 0.000 1.008 149 I CA -0.730 60.460 61.300 -0.184 0.000 1.104 149 I CB 2.132 40.227 38.000 0.159 0.000 1.264 149 I HN 0.554 nan 8.210 nan 0.000 0.438 150 G N 3.853 112.431 108.800 -0.370 0.000 2.462 150 G HA2 0.764 4.725 3.960 0.001 0.000 0.319 150 G HA3 0.764 4.725 3.960 0.001 0.000 0.319 150 G C -0.656 174.172 174.900 -0.120 0.000 1.171 150 G CA -0.439 44.614 45.100 -0.078 0.000 0.920 150 G HN 0.715 nan 8.290 nan 0.000 0.499 151 A N 0.060 122.811 122.820 -0.116 0.000 2.269 151 A HA 0.662 4.983 4.320 0.001 0.000 0.327 151 A C 0.650 178.197 177.584 -0.062 0.000 1.112 151 A CA -0.759 51.145 52.037 -0.221 0.000 0.865 151 A CB 0.676 19.442 19.000 -0.390 0.000 1.227 151 A HN 1.072 nan 8.150 nan 0.000 0.498 152 W N 0.723 122.045 121.300 0.036 0.000 3.278 152 W HA 0.043 4.703 4.660 0.001 0.000 0.308 152 W C 0.680 177.219 176.519 0.033 0.000 1.253 152 W CA 0.545 57.910 57.345 0.035 0.000 1.759 152 W CB -0.392 29.074 29.460 0.010 0.000 1.093 152 W HN 0.842 nan 8.180 nan 0.000 0.648 153 N N 1.167 119.838 118.700 -0.047 0.000 2.376 153 N HA -0.164 4.577 4.740 0.001 0.000 0.177 153 N C -0.336 175.178 175.510 0.008 0.000 1.024 153 N CA 0.737 53.846 53.050 0.098 0.000 0.893 153 N CB -1.003 37.476 38.487 -0.013 0.000 0.980 153 N HN 0.214 nan 8.380 nan 0.000 0.439 154 Y N -0.140 120.136 120.300 -0.040 0.000 2.490 154 Y HA 0.402 4.953 4.550 0.001 0.000 0.346 154 Y C -1.845 174.017 175.900 -0.063 0.000 1.023 154 Y CA -1.857 56.196 58.100 -0.078 0.000 1.142 154 Y CB 2.068 40.419 38.460 -0.181 0.000 1.126 154 Y HN -0.034 nan 8.280 nan 0.000 0.647 155 P HA -0.232 nan 4.420 nan 0.000 0.211 155 P C 1.913 179.259 177.300 0.076 0.000 1.179 155 P CA 1.280 64.449 63.100 0.115 0.000 0.910 155 P CB 0.482 32.250 31.700 0.113 0.000 0.785 156 V N -0.366 119.557 119.914 0.014 0.000 2.358 156 V HA -0.258 3.862 4.120 0.001 0.000 0.246 156 V C 2.564 178.607 176.094 -0.086 0.000 1.047 156 V CA 1.920 64.192 62.300 -0.047 0.000 1.035 156 V CB -1.041 30.747 31.823 -0.058 0.000 0.658 156 V HN 0.138 nan 8.190 nan 0.000 0.452 157 Q N -0.543 119.205 119.800 -0.085 0.000 2.084 157 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 157 Q C 2.149 177.927 176.000 -0.369 0.000 0.978 157 Q CA 2.447 58.109 55.803 -0.234 0.000 0.844 157 Q CB -0.186 28.377 28.738 -0.291 0.000 0.898 157 Q HN 0.719 nan 8.270 nan 0.000 0.426 158 I N 0.474 120.914 120.570 -0.218 0.000 2.353 158 I HA -0.203 3.968 4.170 0.001 0.000 0.248 158 I C 2.461 178.590 176.117 0.021 0.000 1.119 158 I CA 0.837 62.084 61.300 -0.088 0.000 1.417 158 I CB -0.376 37.635 38.000 0.019 0.000 1.078 158 I HN 0.193 nan 8.210 nan 0.000 0.421 159 A N 0.983 123.729 122.820 -0.122 0.000 1.908 159 A HA -0.178 4.143 4.320 0.001 0.000 0.218 159 A C 2.298 179.722 177.584 -0.267 0.000 1.181 159 A CA 1.540 53.256 52.037 -0.534 0.000 0.627 159 A CB -0.858 17.690 19.000 -0.753 0.000 0.818 159 A HN 0.372 nan 8.150 nan 0.000 0.445 160 L N -2.416 118.737 121.223 -0.116 0.000 2.027 160 L HA -0.200 4.141 4.340 0.001 0.000 0.206 160 L C 2.575 179.619 176.870 0.291 0.000 1.074 160 L CA 1.131 56.001 54.840 0.051 0.000 0.745 160 L CB -0.482 41.628 42.059 0.086 0.000 0.898 160 L HN 0.562 nan 8.230 nan 0.000 0.433 161 W N 0.588 121.909 121.300 0.035 0.000 2.425 161 W HA -0.098 4.563 4.660 0.001 0.000 0.277 161 W C 2.498 179.077 176.519 0.100 0.000 1.231 161 W CA 0.562 57.965 57.345 0.097 0.000 1.248 161 W CB -0.481 29.033 29.460 0.091 0.000 1.117 161 W HN 0.087 nan 8.180 nan 0.000 0.568 162 K N -0.078 120.510 120.400 0.313 0.000 2.067 162 K HA -0.073 4.247 4.320 0.001 0.000 0.203 162 K C 2.227 178.866 176.600 0.066 0.000 1.048 162 K CA 1.731 58.163 56.287 0.242 0.000 0.954 162 K CB -0.514 32.195 32.500 0.350 0.000 0.737 162 K HN 0.052 nan 8.250 nan 0.000 0.444 163 S N 0.925 116.655 115.700 0.050 0.000 2.436 163 S HA 0.027 4.498 4.470 0.001 0.000 0.228 163 S C 2.271 176.798 174.600 -0.122 0.000 1.014 163 S CA 0.622 58.804 58.200 -0.031 0.000 0.950 163 S CB -0.041 63.110 63.200 -0.082 0.000 0.784 163 S HN 0.247 nan 8.310 nan 0.000 0.504 164 A N 3.647 126.454 122.820 -0.021 0.000 1.851 164 A HA 0.035 4.355 4.320 0.001 0.000 0.216 164 A C 0.445 177.921 177.584 -0.181 0.000 1.195 164 A CA 1.655 53.703 52.037 0.019 0.000 0.622 164 A CB -1.776 17.360 19.000 0.227 0.000 0.831 164 A HN 0.607 nan 8.150 nan 0.000 0.444 165 P HA -0.059 nan 4.420 nan 0.000 0.219 165 P C 1.553 178.455 177.300 -0.662 0.000 1.150 165 P CA 1.781 64.409 63.100 -0.786 0.000 0.814 165 P CB -0.158 31.047 31.700 -0.825 0.000 0.787 166 A N -0.023 122.255 122.820 -0.902 0.000 1.877 166 A HA -0.152 4.169 4.320 0.001 0.000 0.216 166 A C 2.194 179.640 177.584 -0.230 0.000 1.186 166 A CA 1.568 53.126 52.037 -0.799 0.000 0.620 166 A CB -1.575 17.049 19.000 -0.627 0.000 0.822 166 A HN 0.091 nan 8.150 nan 0.000 0.443 167 L N -0.547 120.583 121.223 -0.154 0.000 2.109 167 L HA 0.004 4.345 4.340 0.001 0.000 0.207 167 L C 2.936 179.971 176.870 0.276 0.000 1.086 167 L CA 1.650 56.531 54.840 0.067 0.000 0.760 167 L CB -0.834 41.112 42.059 -0.188 0.000 0.910 167 L HN 0.382 nan 8.230 nan 0.000 0.437 168 A N -0.622 122.241 122.820 0.072 0.000 1.972 168 A HA -0.088 4.233 4.320 0.001 0.000 0.219 168 A C 2.210 179.801 177.584 0.012 0.000 1.169 168 A CA 1.548 53.621 52.037 0.059 0.000 0.635 168 A CB -0.711 18.297 19.000 0.013 0.000 0.810 168 A HN 0.343 nan 8.150 nan 0.000 0.446 169 A N -1.845 120.976 122.820 0.002 0.000 2.278 169 A HA 0.438 4.759 4.320 0.001 0.000 0.212 169 A C 1.620 179.230 177.584 0.043 0.000 1.213 169 A CA 1.048 53.099 52.037 0.023 0.000 0.840 169 A CB -0.958 18.087 19.000 0.074 0.000 0.866 169 A HN 1.857 nan 8.150 nan 0.000 0.489 170 G N -0.546 108.301 108.800 0.079 0.000 2.141 170 G HA2 -0.221 3.740 3.960 0.001 0.000 0.242 170 G HA3 -0.221 3.740 3.960 0.001 0.000 0.242 170 G C -0.080 174.971 174.900 0.252 0.000 0.982 170 G CA 0.072 45.211 45.100 0.065 0.000 0.662 170 G HN 0.528 nan 8.290 nan 0.000 0.527 171 N N 0.420 119.269 118.700 0.248 0.000 2.476 171 N HA 0.650 5.391 4.740 0.001 0.000 0.275 171 N C 0.281 175.885 175.510 0.156 0.000 1.190 171 N CA 0.369 53.533 53.050 0.190 0.000 0.977 171 N CB 1.499 40.072 38.487 0.145 0.000 1.200 171 N HN 0.613 nan 8.380 nan 0.000 0.515 172 A N 0.659 123.536 122.820 0.095 0.000 2.306 172 A HA 0.570 4.891 4.320 0.001 0.000 0.314 172 A C -0.252 177.361 177.584 0.049 0.000 1.164 172 A CA -0.541 51.509 52.037 0.021 0.000 0.822 172 A CB 0.632 19.642 19.000 0.017 0.000 1.130 172 A HN 0.730 nan 8.150 nan 0.000 0.496 173 M N 2.954 122.588 119.600 0.057 0.000 2.383 173 M HA 0.628 5.108 4.480 0.001 0.000 0.325 173 M C -1.755 174.553 176.300 0.013 0.000 1.092 173 M CA -0.540 54.823 55.300 0.105 0.000 0.961 173 M CB 1.076 33.806 32.600 0.218 0.000 1.672 173 M HN 0.579 nan 8.290 nan 0.000 0.438 174 I N 4.889 125.468 120.570 0.017 0.000 2.312 174 I HA 0.319 4.490 4.170 0.001 0.000 0.290 174 I C -1.213 174.915 176.117 0.019 0.000 1.008 174 I CA -0.396 60.876 61.300 -0.048 0.000 1.226 174 I CB 0.921 38.903 38.000 -0.030 0.000 1.371 174 I HN 0.590 nan 8.210 nan 0.000 0.468 175 F N 7.416 127.214 119.950 -0.253 0.000 2.436 175 F HA 0.441 4.969 4.527 0.001 0.000 0.340 175 F C -0.086 175.683 175.800 -0.052 0.000 1.113 175 F CA -0.611 57.319 58.000 -0.117 0.000 1.022 175 F CB 1.157 40.072 39.000 -0.141 0.000 1.128 175 F HN 0.285 nan 8.300 nan 0.000 0.466 176 K N 8.633 128.631 120.400 -0.670 0.000 2.449 176 K HA 0.401 4.722 4.320 0.001 0.000 0.257 176 K C -2.864 173.363 176.600 -0.621 0.000 0.989 176 K CA -2.162 53.880 56.287 -0.409 0.000 0.916 176 K CB 1.293 33.664 32.500 -0.215 0.000 1.136 176 K HN 0.312 nan 8.250 nan 0.000 0.439 177 P HA -0.023 nan 4.420 nan 0.000 0.274 177 P C -0.248 177.051 177.300 -0.001 0.000 1.237 177 P CA -0.309 62.779 63.100 -0.020 0.000 0.793 177 P CB 0.886 32.755 31.700 0.282 0.000 0.977 178 S N 0.429 116.166 115.700 0.063 0.000 2.558 178 S HA -0.073 4.398 4.470 0.001 0.000 0.293 178 S C 1.434 176.094 174.600 0.101 0.000 1.292 178 S CA 0.008 58.266 58.200 0.097 0.000 1.063 178 S CB -0.439 62.893 63.200 0.220 0.000 0.831 178 S HN 0.370 nan 8.310 nan 0.000 0.499 179 E N 2.548 122.736 120.200 -0.020 0.000 2.171 179 E HA -0.147 4.204 4.350 0.001 0.000 0.197 179 E C 1.799 178.464 176.600 0.108 0.000 0.997 179 E CA 1.497 57.812 56.400 -0.143 0.000 0.810 179 E CB -0.105 29.305 29.700 -0.483 0.000 0.738 179 E HN 0.659 nan 8.360 nan 0.000 0.467 180 V N 0.448 120.416 119.914 0.090 0.000 2.626 180 V HA -0.128 3.993 4.120 0.001 0.000 0.252 180 V C 1.464 177.630 176.094 0.119 0.000 1.067 180 V CA 1.765 64.103 62.300 0.064 0.000 1.081 180 V CB -0.316 31.450 31.823 -0.096 0.000 0.686 180 V HN 0.327 nan 8.190 nan 0.000 0.468 181 T N -2.800 111.863 114.554 0.182 0.000 3.583 181 T HA 0.301 4.652 4.350 0.001 0.000 0.266 181 T C -1.874 172.943 174.700 0.194 0.000 1.296 181 T CA -0.873 61.332 62.100 0.175 0.000 1.668 181 T CB 1.387 70.368 68.868 0.188 0.000 0.832 181 T HN 0.267 nan 8.240 nan 0.000 0.649 182 P HA 0.253 nan 4.420 nan 0.000 0.251 182 P C 1.398 178.797 177.300 0.166 0.000 1.223 182 P CA -0.184 63.052 63.100 0.227 0.000 0.796 182 P CB 0.361 32.240 31.700 0.299 0.000 1.068 183 L N 0.333 121.624 121.223 0.113 0.000 2.044 183 L HA -0.074 4.266 4.340 0.001 0.000 0.205 183 L C 2.673 179.559 176.870 0.027 0.000 1.075 183 L CA 2.347 57.215 54.840 0.045 0.000 0.747 183 L CB -1.776 40.282 42.059 -0.001 0.000 0.903 183 L HN 0.078 nan 8.230 nan 0.000 0.435 184 T N -2.475 112.098 114.554 0.032 0.000 2.995 184 T HA -0.025 4.326 4.350 0.001 0.000 0.269 184 T C 1.899 176.611 174.700 0.020 0.000 1.091 184 T CA 0.780 62.883 62.100 0.004 0.000 1.128 184 T CB -0.207 68.654 68.868 -0.011 0.000 0.891 184 T HN 0.281 nan 8.240 nan 0.000 0.492 185 A N 1.687 124.567 122.820 0.100 0.000 1.933 185 A HA 0.172 4.493 4.320 0.001 0.000 0.218 185 A C 2.383 180.048 177.584 0.135 0.000 1.175 185 A CA 1.134 53.264 52.037 0.155 0.000 0.628 185 A CB -0.835 18.383 19.000 0.362 0.000 0.814 185 A HN 0.549 nan 8.150 nan 0.000 0.444 186 L N -0.646 120.643 121.223 0.111 0.000 2.056 186 L HA -0.179 4.162 4.340 0.001 0.000 0.207 186 L C 2.469 179.324 176.870 -0.025 0.000 1.078 186 L CA 1.264 56.151 54.840 0.078 0.000 0.749 186 L CB -0.411 41.776 42.059 0.213 0.000 0.901 186 L HN 0.233 nan 8.230 nan 0.000 0.433 187 K N 0.016 120.406 120.400 -0.017 0.000 2.097 187 K HA -0.150 4.171 4.320 0.001 0.000 0.205 187 K C 2.035 178.542 176.600 -0.156 0.000 1.050 187 K CA 1.040 57.286 56.287 -0.068 0.000 0.938 187 K CB -0.684 31.775 32.500 -0.068 0.000 0.718 187 K HN 0.151 nan 8.250 nan 0.000 0.442 188 L N 1.410 122.526 121.223 -0.178 0.000 2.079 188 L HA -0.111 4.230 4.340 0.001 0.000 0.210 188 L C 2.176 178.820 176.870 -0.376 0.000 1.081 188 L CA 1.925 56.557 54.840 -0.347 0.000 0.752 188 L CB -0.815 41.000 42.059 -0.406 0.000 0.896 188 L HN 0.154 nan 8.230 nan 0.000 0.433 189 A N -0.704 122.007 122.820 -0.182 0.000 1.902 189 A HA -0.217 4.104 4.320 0.001 0.000 0.217 189 A C 2.118 179.404 177.584 -0.497 0.000 1.181 189 A CA 1.712 53.599 52.037 -0.250 0.000 0.623 189 A CB -0.619 17.990 19.000 -0.651 0.000 0.818 189 A HN 0.629 nan 8.150 nan 0.000 0.443 190 E N -0.237 119.673 120.200 -0.483 0.000 2.058 190 E HA -0.193 4.157 4.350 0.001 0.000 0.194 190 E C 1.867 178.419 176.600 -0.080 0.000 0.997 190 E CA 1.432 57.729 56.400 -0.173 0.000 0.801 190 E CB -0.355 29.325 29.700 -0.033 0.000 0.746 190 E HN 0.701 nan 8.360 nan 0.000 0.450 191 I N 0.238 120.718 120.570 -0.150 0.000 2.286 191 I HA -0.271 3.900 4.170 0.001 0.000 0.248 191 I C 2.076 178.138 176.117 -0.091 0.000 1.115 191 I CA 0.967 62.180 61.300 -0.145 0.000 1.392 191 I CB -0.206 37.652 38.000 -0.238 0.000 1.065 191 I HN 0.102 nan 8.210 nan 0.000 0.418 192 Y N 1.121 121.331 120.300 -0.150 0.000 2.181 192 Y HA -0.237 4.314 4.550 0.001 0.000 0.288 192 Y C 2.910 178.762 175.900 -0.080 0.000 1.146 192 Y CA 1.482 59.490 58.100 -0.154 0.000 1.164 192 Y CB -1.389 36.931 38.460 -0.234 0.000 0.982 192 Y HN 0.142 nan 8.280 nan 0.000 0.515 193 T N -0.454 114.180 114.554 0.134 0.000 2.708 193 T HA -0.241 4.110 4.350 0.001 0.000 0.266 193 T C 1.840 176.589 174.700 0.081 0.000 1.037 193 T CA 1.656 63.827 62.100 0.118 0.000 1.146 193 T CB -0.285 68.701 68.868 0.197 0.000 0.865 193 T HN 0.422 nan 8.240 nan 0.000 0.435 194 E N 0.891 121.131 120.200 0.066 0.000 2.118 194 E HA -0.127 4.224 4.350 0.001 0.000 0.195 194 E C 2.260 178.889 176.600 0.048 0.000 0.992 194 E CA 0.995 57.425 56.400 0.050 0.000 0.804 194 E CB -0.196 29.523 29.700 0.031 0.000 0.741 194 E HN 0.486 nan 8.360 nan 0.000 0.458 195 A N -0.139 122.713 122.820 0.053 0.000 2.121 195 A HA 0.076 4.397 4.320 0.001 0.000 0.218 195 A C 1.800 179.429 177.584 0.074 0.000 1.154 195 A CA 1.352 53.427 52.037 0.064 0.000 0.679 195 A CB -0.357 18.693 19.000 0.083 0.000 0.795 195 A HN 0.526 nan 8.150 nan 0.000 0.458 196 G N -2.343 106.498 108.800 0.068 0.000 2.168 196 G HA2 -0.140 3.821 3.960 0.001 0.000 0.197 196 G HA3 -0.140 3.821 3.960 0.001 0.000 0.197 196 G C 0.090 175.025 174.900 0.059 0.000 0.997 196 G CA -0.109 45.035 45.100 0.074 0.000 0.658 196 G HN 0.723 nan 8.290 nan 0.000 0.513 197 V N 2.512 122.415 119.914 -0.019 0.000 2.493 197 V HA 0.286 4.407 4.120 0.001 0.000 0.292 197 V C -1.136 174.889 176.094 -0.116 0.000 1.016 197 V CA -0.613 61.560 62.300 -0.212 0.000 1.097 197 V CB 0.774 32.368 31.823 -0.382 0.000 0.947 197 V HN 0.193 nan 8.190 nan 0.000 0.479 198 P HA 0.082 nan 4.420 nan 0.000 0.269 198 P C -0.463 176.817 177.300 -0.033 0.000 1.209 198 P CA -0.329 62.766 63.100 -0.008 0.000 0.776 198 P CB 0.311 32.051 31.700 0.067 0.000 0.876 199 D N 1.705 122.106 120.400 0.001 0.000 2.531 199 D HA 0.196 4.837 4.640 0.001 0.000 0.239 199 D C 1.635 177.928 176.300 -0.011 0.000 1.144 199 D CA 1.939 55.938 54.000 -0.002 0.000 0.869 199 D CB -0.150 40.642 40.800 -0.012 0.000 1.160 199 D HN 0.688 nan 8.370 nan 0.000 0.484 200 G N 0.986 109.780 108.800 -0.009 0.000 2.194 200 G HA2 -0.306 3.655 3.960 0.001 0.000 0.236 200 G HA3 -0.306 3.655 3.960 0.001 0.000 0.236 200 G C 1.117 176.000 174.900 -0.028 0.000 0.987 200 G CA 0.148 45.238 45.100 -0.017 0.000 0.635 200 G HN 0.459 nan 8.290 nan 0.000 0.520 201 V N -0.536 119.339 119.914 -0.066 0.000 2.649 201 V HA 0.393 4.514 4.120 0.001 0.000 0.248 201 V C 0.837 176.888 176.094 -0.072 0.000 1.054 201 V CA 1.798 64.006 62.300 -0.152 0.000 1.073 201 V CB -0.030 31.543 31.823 -0.416 0.000 0.699 201 V HN 0.448 nan 8.190 nan 0.000 0.463 202 F N 1.569 121.412 119.950 -0.177 0.000 2.513 202 F HA 0.553 5.081 4.527 0.001 0.000 0.358 202 F C -0.360 175.480 175.800 0.067 0.000 1.118 202 F CA -1.055 56.896 58.000 -0.082 0.000 1.037 202 F CB 0.610 39.532 39.000 -0.129 0.000 1.276 202 F HN -0.022 nan 8.300 nan 0.000 0.446 203 N N 3.915 122.435 118.700 -0.299 0.000 2.405 203 N HA 0.601 5.341 4.740 0.001 0.000 0.299 203 N C -1.324 173.993 175.510 -0.322 0.000 1.075 203 N CA -0.440 52.518 53.050 -0.153 0.000 0.884 203 N CB 2.567 41.009 38.487 -0.075 0.000 1.194 203 N HN 0.277 nan 8.380 nan 0.000 0.491 204 V N 2.626 122.479 119.914 -0.102 0.000 2.487 204 V HA 0.501 4.621 4.120 0.001 0.000 0.298 204 V C -0.329 175.805 176.094 0.066 0.000 1.028 204 V CA -0.693 61.581 62.300 -0.044 0.000 0.860 204 V CB 1.621 33.459 31.823 0.024 0.000 0.991 204 V HN 0.403 nan 8.190 nan 0.000 0.427 205 L N 4.601 125.860 121.223 0.060 0.000 2.362 205 L HA 0.687 5.028 4.340 0.001 0.000 0.275 205 L C 0.233 177.174 176.870 0.117 0.000 0.998 205 L CA -0.411 54.486 54.840 0.095 0.000 0.820 205 L CB 2.466 44.571 42.059 0.076 0.000 1.270 205 L HN 0.756 nan 8.230 nan 0.000 0.415 206 T N -0.661 114.003 114.554 0.183 0.000 2.929 206 T HA 0.938 5.288 4.350 0.001 0.000 0.284 206 T C 0.177 175.042 174.700 0.274 0.000 1.014 206 T CA -0.309 61.950 62.100 0.264 0.000 1.051 206 T CB 2.326 71.413 68.868 0.366 0.000 1.028 206 T HN 0.982 nan 8.240 nan 0.000 0.485 207 G N 0.344 109.258 108.800 0.189 0.000 2.340 207 G HA2 0.337 4.298 3.960 0.001 0.000 0.282 207 G HA3 0.337 4.298 3.960 0.001 0.000 0.282 207 G C -0.727 174.011 174.900 -0.270 0.000 1.312 207 G CA -0.787 44.299 45.100 -0.023 0.000 0.942 207 G HN 0.820 nan 8.290 nan 0.000 0.495 208 S N -0.516 115.030 115.700 -0.257 0.000 2.603 208 S HA 0.478 4.949 4.470 0.001 0.000 0.268 208 S C 1.758 176.230 174.600 -0.213 0.000 1.317 208 S CA 0.711 58.755 58.200 -0.259 0.000 1.012 208 S CB 1.115 64.177 63.200 -0.230 0.000 0.926 208 S HN 1.613 nan 8.310 nan 0.000 0.539 209 G N 1.455 110.157 108.800 -0.163 0.000 2.418 209 G HA2 -0.172 3.788 3.960 0.001 0.000 0.217 209 G HA3 -0.172 3.788 3.960 0.001 0.000 0.217 209 G C 1.326 176.106 174.900 -0.200 0.000 1.158 209 G CA 0.461 45.482 45.100 -0.132 0.000 0.771 209 G HN 0.645 nan 8.290 nan 0.000 0.545 210 R N 0.044 120.419 120.500 -0.208 0.000 2.189 210 R HA 0.058 4.399 4.340 0.001 0.000 0.223 210 R C 2.191 178.245 176.300 -0.409 0.000 1.092 210 R CA 1.003 56.960 56.100 -0.239 0.000 0.989 210 R CB 0.036 30.233 30.300 -0.171 0.000 0.876 210 R HN 0.510 nan 8.270 nan 0.000 0.457 211 E N -0.753 119.124 120.200 -0.539 0.000 2.118 211 E HA -0.054 4.297 4.350 0.001 0.000 0.203 211 E C 1.745 177.598 176.600 -1.245 0.000 0.958 211 E CA 0.383 56.126 56.400 -1.095 0.000 0.957 211 E CB -0.377 28.812 29.700 -0.853 0.000 1.205 211 E HN -0.014 nan 8.360 nan 0.000 0.494 212 V N 1.587 121.127 119.914 -0.624 0.000 2.287 212 V HA -0.177 3.944 4.120 0.001 0.000 0.248 212 V C 2.073 178.097 176.094 -0.116 0.000 1.053 212 V CA 2.721 64.926 62.300 -0.158 0.000 1.027 212 V CB -0.918 30.934 31.823 0.050 0.000 0.646 212 V HN 0.507 nan 8.190 nan 0.000 0.447 213 G N -1.098 107.602 108.800 -0.166 0.000 2.491 213 G HA2 -0.433 3.527 3.960 0.001 0.000 0.218 213 G HA3 -0.433 3.527 3.960 0.001 0.000 0.218 213 G C 1.465 176.307 174.900 -0.097 0.000 1.180 213 G CA 1.254 46.293 45.100 -0.102 0.000 0.774 213 G HN 0.611 nan 8.290 nan 0.000 0.562 214 Q N -0.517 119.163 119.800 -0.199 0.000 2.061 214 Q HA -0.149 4.191 4.340 0.001 0.000 0.204 214 Q C 2.316 178.315 176.000 -0.003 0.000 0.984 214 Q CA 2.049 57.752 55.803 -0.167 0.000 0.846 214 Q CB -0.390 28.168 28.738 -0.301 0.000 0.902 214 Q HN 0.622 nan 8.270 nan 0.000 0.421 215 W N 0.204 121.514 121.300 0.016 0.000 2.350 215 W HA -0.109 4.552 4.660 0.001 0.000 0.289 215 W C 1.890 178.449 176.519 0.068 0.000 1.215 215 W CA 0.717 58.087 57.345 0.042 0.000 1.236 215 W CB -0.848 28.638 29.460 0.043 0.000 1.130 215 W HN 0.279 nan 8.180 nan 0.000 0.541 216 L N 0.018 121.377 121.223 0.227 0.000 2.072 216 L HA -0.155 4.186 4.340 0.001 0.000 0.205 216 L C 2.690 179.640 176.870 0.135 0.000 1.079 216 L CA 1.947 56.881 54.840 0.156 0.000 0.752 216 L CB -1.379 40.731 42.059 0.086 0.000 0.906 216 L HN -0.027 nan 8.230 nan 0.000 0.436 217 T N -3.301 111.305 114.554 0.087 0.000 2.962 217 T HA -0.131 4.219 4.350 0.001 0.000 0.270 217 T C 1.488 176.232 174.700 0.073 0.000 1.088 217 T CA 1.057 63.191 62.100 0.057 0.000 1.127 217 T CB -0.173 68.693 68.868 -0.003 0.000 0.883 217 T HN 0.389 nan 8.240 nan 0.000 0.493 218 E N -0.170 120.093 120.200 0.107 0.000 2.318 218 E HA 0.066 4.417 4.350 0.001 0.000 0.193 218 E C 0.337 176.991 176.600 0.090 0.000 0.998 218 E CA -0.138 56.319 56.400 0.095 0.000 0.859 218 E CB -0.049 29.723 29.700 0.119 0.000 0.812 218 E HN 0.696 nan 8.360 nan 0.000 0.492 219 H N 2.371 121.484 119.070 0.071 0.000 3.004 219 H HA -0.009 4.548 4.556 0.001 0.000 0.316 219 H C -1.486 173.866 175.328 0.040 0.000 1.014 219 H CA -1.309 54.772 56.048 0.055 0.000 1.454 219 H CB 1.046 30.843 29.762 0.060 0.000 1.472 219 H HN -0.093 nan 8.280 nan 0.000 0.571 220 P HA -0.130 nan 4.420 nan 0.000 0.226 220 P C 0.765 178.120 177.300 0.092 0.000 1.153 220 P CA 1.023 64.090 63.100 -0.055 0.000 0.777 220 P CB 0.434 32.055 31.700 -0.131 0.000 0.794 221 L N -1.220 120.196 121.223 0.323 0.000 2.607 221 L HA 0.224 4.565 4.340 0.001 0.000 0.228 221 L C 1.152 178.133 176.870 0.186 0.000 1.123 221 L CA -0.202 54.791 54.840 0.254 0.000 0.890 221 L CB -0.138 42.078 42.059 0.262 0.000 1.103 221 L HN -0.144 nan 8.230 nan 0.000 0.468 222 I N 0.505 121.199 120.570 0.207 0.000 2.352 222 I HA 0.041 4.212 4.170 0.001 0.000 0.290 222 I C 1.106 177.286 176.117 0.105 0.000 1.036 222 I CA -0.082 61.294 61.300 0.126 0.000 1.336 222 I CB 1.261 39.332 38.000 0.118 0.000 1.407 222 I HN 0.056 nan 8.210 nan 0.000 0.497 223 E N 4.834 125.090 120.200 0.093 0.000 2.400 223 E HA 0.095 4.446 4.350 0.001 0.000 0.195 223 E C 0.189 176.831 176.600 0.070 0.000 1.012 223 E CA 0.449 56.895 56.400 0.076 0.000 0.875 223 E CB 0.503 30.245 29.700 0.071 0.000 0.859 223 E HN 0.491 nan 8.360 nan 0.000 0.498 224 K N 0.547 121.000 120.400 0.089 0.000 2.542 224 K HA 0.345 4.666 4.320 0.001 0.000 0.259 224 K C -1.543 175.124 176.600 0.110 0.000 0.932 224 K CA -0.516 55.820 56.287 0.081 0.000 0.820 224 K CB 1.604 34.145 32.500 0.069 0.000 1.345 224 K HN -0.215 nan 8.250 nan 0.000 0.432 225 I N 2.191 122.817 120.570 0.094 0.000 2.433 225 I HA 0.282 4.453 4.170 0.001 0.000 0.292 225 I C -0.484 175.719 176.117 0.144 0.000 1.001 225 I CA -0.582 60.791 61.300 0.122 0.000 1.119 225 I CB 1.531 39.586 38.000 0.091 0.000 1.289 225 I HN 0.571 nan 8.210 nan 0.000 0.438 226 S N 6.811 122.635 115.700 0.206 0.000 2.498 226 S HA 0.645 5.116 4.470 0.001 0.000 0.317 226 S C -1.136 173.619 174.600 0.259 0.000 1.090 226 S CA -0.395 57.943 58.200 0.229 0.000 1.089 226 S CB 0.563 63.943 63.200 0.301 0.000 0.997 226 S HN 0.374 nan 8.310 nan 0.000 0.470 227 F N 3.770 123.765 119.950 0.074 0.000 2.532 227 F HA 0.701 5.228 4.527 0.001 0.000 0.321 227 F C -0.496 175.327 175.800 0.039 0.000 1.089 227 F CA -0.196 57.827 58.000 0.039 0.000 0.926 227 F CB 2.110 41.115 39.000 0.007 0.000 1.168 227 F HN 0.430 nan 8.300 nan 0.000 0.459 228 T N 4.143 118.166 114.554 -0.886 0.000 2.848 228 T HA 0.819 5.170 4.350 0.001 0.000 0.285 228 T C -0.284 173.697 174.700 -1.199 0.000 0.995 228 T CA -0.295 61.359 62.100 -0.744 0.000 0.970 228 T CB 1.279 69.955 68.868 -0.319 0.000 0.976 228 T HN 1.137 nan 8.240 nan 0.000 0.441 229 G N 1.259 109.571 108.800 -0.814 0.000 2.344 229 G HA2 0.516 4.477 3.960 0.001 0.000 0.282 229 G HA3 0.516 4.477 3.960 0.001 0.000 0.282 229 G C -0.377 174.450 174.900 -0.122 0.000 1.281 229 G CA -0.313 44.486 45.100 -0.502 0.000 0.877 229 G HN 0.855 nan 8.290 nan 0.000 0.494 230 G N -0.975 107.841 108.800 0.028 0.000 2.503 230 G HA2 0.460 4.421 3.960 0.001 0.000 0.257 230 G HA3 0.460 4.421 3.960 0.001 0.000 0.257 230 G C 1.134 176.123 174.900 0.148 0.000 1.214 230 G CA 0.965 46.085 45.100 0.033 0.000 0.839 230 G HN 0.814 nan 8.290 nan 0.000 0.559 231 T N 1.241 115.879 114.554 0.141 0.000 2.665 231 T HA -0.195 4.155 4.350 0.001 0.000 0.268 231 T C 2.767 177.529 174.700 0.103 0.000 1.035 231 T CA 1.938 64.133 62.100 0.159 0.000 1.151 231 T CB -0.190 68.821 68.868 0.237 0.000 0.862 231 T HN 0.423 nan 8.240 nan 0.000 0.438 232 S N 0.267 116.023 115.700 0.092 0.000 2.359 232 S HA -0.136 4.335 4.470 0.001 0.000 0.224 232 S C 2.317 176.926 174.600 0.015 0.000 1.035 232 S CA 1.723 59.953 58.200 0.050 0.000 1.018 232 S CB -0.593 62.643 63.200 0.061 0.000 0.876 232 S HN 0.585 nan 8.310 nan 0.000 0.448 233 T N 0.843 115.415 114.554 0.030 0.000 2.777 233 T HA -0.014 4.337 4.350 0.001 0.000 0.266 233 T C 1.948 176.509 174.700 -0.233 0.000 1.040 233 T CA 1.197 63.260 62.100 -0.061 0.000 1.141 233 T CB -0.948 67.948 68.868 0.046 0.000 0.868 233 T HN 0.524 nan 8.240 nan 0.000 0.444 234 G N 1.881 110.619 108.800 -0.104 0.000 2.469 234 G HA2 -0.275 3.686 3.960 0.001 0.000 0.219 234 G HA3 -0.275 3.686 3.960 0.001 0.000 0.219 234 G C 1.599 176.409 174.900 -0.150 0.000 1.150 234 G CA 0.907 45.909 45.100 -0.164 0.000 0.763 234 G HN 0.441 nan 8.290 nan 0.000 0.561 235 K N 0.298 120.654 120.400 -0.073 0.000 2.097 235 K HA -0.039 4.282 4.320 0.001 0.000 0.206 235 K C 2.591 179.139 176.600 -0.087 0.000 1.049 235 K CA 1.233 57.485 56.287 -0.058 0.000 0.933 235 K CB -0.097 32.386 32.500 -0.029 0.000 0.717 235 K HN 0.263 nan 8.250 nan 0.000 0.442 236 K N 0.417 120.748 120.400 -0.115 0.000 2.062 236 K HA -0.056 4.265 4.320 0.001 0.000 0.205 236 K C 2.093 178.592 176.600 -0.168 0.000 1.051 236 K CA 0.972 57.185 56.287 -0.122 0.000 0.941 236 K CB -0.097 32.336 32.500 -0.112 0.000 0.719 236 K HN -0.093 nan 8.250 nan 0.000 0.440 237 V N 2.004 121.749 119.914 -0.283 0.000 2.287 237 V HA -0.297 3.824 4.120 0.001 0.000 0.248 237 V C 2.398 178.378 176.094 -0.190 0.000 1.053 237 V CA 1.804 63.908 62.300 -0.328 0.000 1.027 237 V CB -0.378 31.031 31.823 -0.690 0.000 0.646 237 V HN 0.384 nan 8.190 nan 0.000 0.447 238 M N -0.297 119.209 119.600 -0.156 0.000 2.117 238 M HA -0.166 4.315 4.480 0.001 0.000 0.262 238 M C 2.217 178.485 176.300 -0.053 0.000 1.065 238 M CA 2.174 57.430 55.300 -0.075 0.000 1.114 238 M CB -0.314 32.258 32.600 -0.046 0.000 1.361 238 M HN 0.382 nan 8.290 nan 0.000 0.408 239 A N -0.822 121.964 122.820 -0.058 0.000 1.940 239 A HA -0.195 4.126 4.320 0.001 0.000 0.219 239 A C 2.180 179.742 177.584 -0.038 0.000 1.176 239 A CA 2.272 54.284 52.037 -0.042 0.000 0.631 239 A CB -0.985 17.989 19.000 -0.042 0.000 0.814 239 A HN 0.614 nan 8.150 nan 0.000 0.446 240 S N -0.499 115.170 115.700 -0.051 0.000 2.357 240 S HA 0.054 4.525 4.470 0.001 0.000 0.221 240 S C 2.214 176.803 174.600 -0.019 0.000 1.031 240 S CA 1.400 59.578 58.200 -0.036 0.000 0.982 240 S CB -0.524 62.645 63.200 -0.052 0.000 0.853 240 S HN 0.848 nan 8.310 nan 0.000 0.458 241 A N 1.034 123.840 122.820 -0.023 0.000 1.908 241 A HA -0.054 4.267 4.320 0.001 0.000 0.218 241 A C 2.422 180.008 177.584 0.003 0.000 1.181 241 A CA 2.255 54.292 52.037 -0.001 0.000 0.627 241 A CB -1.203 17.798 19.000 0.002 0.000 0.818 241 A HN 0.600 nan 8.150 nan 0.000 0.445 242 S N 0.308 116.004 115.700 -0.006 0.000 2.345 242 S HA -0.159 4.312 4.470 0.001 0.000 0.220 242 S C 2.407 177.005 174.600 -0.004 0.000 1.031 242 S CA 1.779 59.976 58.200 -0.005 0.000 0.996 242 S CB -0.530 62.664 63.200 -0.011 0.000 0.882 242 S HN 0.917 nan 8.310 nan 0.000 0.445 243 S N 2.367 118.063 115.700 -0.007 0.000 2.402 243 S HA -0.110 4.361 4.470 0.001 0.000 0.229 243 S C 2.054 176.652 174.600 -0.002 0.000 1.021 243 S CA 1.286 59.483 58.200 -0.006 0.000 0.974 243 S CB -0.744 62.451 63.200 -0.008 0.000 0.800 243 S HN 0.599 nan 8.310 nan 0.000 0.484 244 S N 2.596 118.297 115.700 0.001 0.000 2.344 244 S HA -0.056 4.414 4.470 0.001 0.000 0.217 244 S C 1.661 176.261 174.600 0.001 0.000 1.033 244 S CA 1.224 59.426 58.200 0.004 0.000 1.017 244 S CB -0.810 62.399 63.200 0.015 0.000 0.941 244 S HN 1.108 nan 8.310 nan 0.000 0.430 245 S N -0.966 114.738 115.700 0.007 0.000 3.088 245 S HA 0.445 4.916 4.470 0.001 0.000 0.249 245 S C 0.084 174.691 174.600 0.012 0.000 0.877 245 S CA -0.048 58.156 58.200 0.008 0.000 1.184 245 S CB -0.304 62.904 63.200 0.012 0.000 1.170 245 S HN 0.729 nan 8.310 nan 0.000 0.603 246 L N 1.082 122.310 121.223 0.009 0.000 3.608 246 L HA -0.173 4.168 4.340 0.001 0.000 0.422 246 L C -0.083 176.795 176.870 0.013 0.000 1.260 246 L CA 0.774 55.618 54.840 0.007 0.000 0.889 246 L CB -1.343 40.718 42.059 0.004 0.000 1.821 246 L HN 0.493 nan 8.230 nan 0.000 0.884 247 K N 0.752 121.163 120.400 0.019 0.000 2.319 247 K HA 0.199 4.520 4.320 0.001 0.000 0.265 247 K C 0.582 177.193 176.600 0.018 0.000 1.000 247 K CA -0.642 55.661 56.287 0.027 0.000 0.943 247 K CB 0.401 32.925 32.500 0.039 0.000 0.950 247 K HN 0.155 nan 8.250 nan 0.000 0.485 248 E N 1.382 121.592 120.200 0.018 0.000 2.383 248 E HA 0.125 4.476 4.350 0.001 0.000 0.264 248 E C -0.316 176.288 176.600 0.007 0.000 1.050 248 E CA -0.177 56.227 56.400 0.005 0.000 0.896 248 E CB 1.243 30.939 29.700 -0.007 0.000 0.982 248 E HN 0.392 nan 8.360 nan 0.000 0.424 249 V N -0.823 119.091 119.914 -0.000 0.000 2.925 249 V HA 0.651 4.772 4.120 0.001 0.000 0.311 249 V C -0.405 175.690 176.094 0.001 0.000 1.104 249 V CA -0.742 61.566 62.300 0.014 0.000 0.954 249 V CB 2.198 34.036 31.823 0.025 0.000 1.022 249 V HN 0.515 nan 8.190 nan 0.000 0.427 250 T N 6.326 120.896 114.554 0.026 0.000 2.829 250 T HA 0.713 5.063 4.350 0.001 0.000 0.280 250 T C -0.512 174.252 174.700 0.106 0.000 0.999 250 T CA -0.452 61.671 62.100 0.038 0.000 0.983 250 T CB 1.359 70.246 68.868 0.032 0.000 0.968 250 T HN 0.721 nan 8.240 nan 0.000 0.446 251 M N 3.088 122.749 119.600 0.101 0.000 2.142 251 M HA 0.406 4.887 4.480 0.001 0.000 0.299 251 M C -0.824 175.541 176.300 0.108 0.000 0.960 251 M CA -0.730 54.664 55.300 0.157 0.000 0.920 251 M CB 1.579 34.266 32.600 0.145 0.000 1.541 251 M HN 0.514 nan 8.290 nan 0.000 0.429 252 E N 3.822 124.069 120.200 0.079 0.000 2.073 252 E HA 0.659 5.009 4.350 0.001 0.000 0.269 252 E C -0.556 176.036 176.600 -0.015 0.000 0.917 252 E CA -0.066 56.352 56.400 0.029 0.000 0.757 252 E CB 1.536 31.247 29.700 0.019 0.000 1.111 252 E HN 0.546 nan 8.360 nan 0.000 0.410 253 L N 0.575 121.810 121.223 0.020 0.000 2.422 253 L HA 0.716 5.057 4.340 0.001 0.000 0.263 253 L C 1.138 177.979 176.870 -0.049 0.000 1.110 253 L CA -1.338 53.511 54.840 0.016 0.000 1.065 253 L CB 0.400 42.527 42.059 0.112 0.000 1.701 253 L HN 0.539 nan 8.230 nan 0.000 0.548 254 G N -1.555 107.216 108.800 -0.049 0.000 2.535 254 G HA2 0.586 4.547 3.960 0.001 0.000 0.282 254 G HA3 0.586 4.547 3.960 0.001 0.000 0.282 254 G C -0.611 174.102 174.900 -0.313 0.000 1.350 254 G CA 0.140 45.121 45.100 -0.199 0.000 1.039 254 G HN 0.814 nan 8.290 nan 0.000 0.509 255 G N -1.792 106.646 108.800 -0.603 0.000 2.600 255 G HA2 0.492 4.453 3.960 0.001 0.000 0.293 255 G HA3 0.492 4.453 3.960 0.001 0.000 0.293 255 G C -1.465 173.001 174.900 -0.723 0.000 1.408 255 G CA -0.625 44.036 45.100 -0.732 0.000 0.782 255 G HN 0.571 nan 8.290 nan 0.000 0.482 256 K N 0.636 120.846 120.400 -0.317 0.000 3.029 256 K HA 0.485 4.806 4.320 0.001 0.000 0.169 256 K C -0.241 176.416 176.600 0.095 0.000 1.090 256 K CA -0.294 55.966 56.287 -0.044 0.000 0.883 256 K CB 0.339 32.904 32.500 0.109 0.000 1.080 256 K HN 0.404 nan 8.250 nan 0.000 0.613 257 S N 3.568 119.344 115.700 0.126 0.000 2.531 257 S HA 0.293 4.764 4.470 0.001 0.000 0.279 257 S C -2.378 172.387 174.600 0.274 0.000 1.305 257 S CA -0.871 57.474 58.200 0.243 0.000 1.058 257 S CB 0.591 64.024 63.200 0.389 0.000 0.899 257 S HN 0.397 nan 8.310 nan 0.000 0.493 258 P HA 0.365 nan 4.420 nan 0.000 0.288 258 P C -1.116 176.381 177.300 0.329 0.000 1.267 258 P CA -0.743 62.549 63.100 0.320 0.000 0.815 258 P CB 0.911 32.777 31.700 0.277 0.000 0.989 259 L N 4.611 125.969 121.223 0.226 0.000 2.325 259 L HA 0.494 4.834 4.340 0.001 0.000 0.281 259 L C -0.762 176.180 176.870 0.120 0.000 1.004 259 L CA -0.601 54.341 54.840 0.169 0.000 0.823 259 L CB 0.629 42.641 42.059 -0.080 0.000 1.236 259 L HN 0.223 nan 8.230 nan 0.000 0.415 260 I N 6.430 126.995 120.570 -0.008 0.000 2.330 260 I HA 0.333 4.504 4.170 0.001 0.000 0.289 260 I C -0.494 175.427 176.117 -0.326 0.000 1.001 260 I CA -0.633 60.504 61.300 -0.271 0.000 1.193 260 I CB 1.263 38.870 38.000 -0.655 0.000 1.345 260 I HN 0.408 nan 8.210 nan 0.000 0.461 261 I N 6.579 127.014 120.570 -0.226 0.000 2.301 261 I HA 0.271 4.441 4.170 0.001 0.000 0.292 261 I C 0.051 176.105 176.117 -0.106 0.000 1.046 261 I CA -0.187 61.021 61.300 -0.153 0.000 1.282 261 I CB -0.078 37.781 38.000 -0.235 0.000 1.409 261 I HN 0.324 nan 8.210 nan 0.000 0.484 262 F N 7.988 127.996 119.950 0.097 0.000 2.380 262 F HA 0.303 4.831 4.527 0.001 0.000 0.325 262 F C -0.997 174.835 175.800 0.052 0.000 1.136 262 F CA -1.601 56.468 58.000 0.116 0.000 1.171 262 F CB 0.048 39.078 39.000 0.050 0.000 1.230 262 F HN 0.360 nan 8.300 nan 0.000 0.554 263 P HA -0.080 nan 4.420 nan 0.000 0.237 263 P C 0.347 177.668 177.300 0.035 0.000 1.178 263 P CA 0.940 64.057 63.100 0.028 0.000 0.766 263 P CB -0.103 31.470 31.700 -0.211 0.000 0.876 264 D N -0.795 119.645 120.400 0.067 0.000 2.328 264 D HA 0.089 4.730 4.640 0.001 0.000 0.221 264 D C 0.499 176.837 176.300 0.064 0.000 1.072 264 D CA -0.356 53.671 54.000 0.045 0.000 0.850 264 D CB -0.433 40.380 40.800 0.022 0.000 0.922 264 D HN -0.030 nan 8.370 nan 0.000 0.516 265 A N 0.932 123.806 122.820 0.090 0.000 2.462 265 A HA 0.105 4.426 4.320 0.001 0.000 0.243 265 A C 0.269 177.897 177.584 0.073 0.000 1.076 265 A CA -0.314 51.776 52.037 0.088 0.000 0.773 265 A CB 0.187 19.246 19.000 0.097 0.000 1.010 265 A HN 0.132 nan 8.150 nan 0.000 0.493 266 D N 1.896 122.337 120.400 0.069 0.000 2.520 266 D HA -0.002 4.638 4.640 0.001 0.000 0.243 266 D C 0.793 177.147 176.300 0.091 0.000 1.160 266 D CA 0.377 54.418 54.000 0.068 0.000 0.877 266 D CB 0.295 41.131 40.800 0.059 0.000 1.150 266 D HN 0.450 nan 8.370 nan 0.000 0.494 267 L N 3.220 124.504 121.223 0.101 0.000 2.418 267 L HA -0.036 4.305 4.340 0.001 0.000 0.218 267 L C 1.787 178.747 176.870 0.150 0.000 1.125 267 L CA 0.306 55.240 54.840 0.157 0.000 0.835 267 L CB 0.006 42.168 42.059 0.173 0.000 0.953 267 L HN 0.426 nan 8.230 nan 0.000 0.454 268 D N 0.099 120.554 120.400 0.092 0.000 2.103 268 D HA -0.177 4.463 4.640 0.001 0.000 0.199 268 D C 2.134 178.476 176.300 0.069 0.000 0.978 268 D CA 0.861 54.899 54.000 0.064 0.000 0.829 268 D CB 0.043 40.868 40.800 0.042 0.000 0.981 268 D HN 0.201 nan 8.370 nan 0.000 0.464 269 R N 0.913 121.457 120.500 0.073 0.000 2.083 269 R HA -0.151 4.190 4.340 0.001 0.000 0.237 269 R C 2.186 178.546 176.300 0.099 0.000 1.137 269 R CA 1.534 57.678 56.100 0.073 0.000 0.951 269 R CB -0.145 30.195 30.300 0.066 0.000 0.851 269 R HN 0.066 nan 8.270 nan 0.000 0.434 270 A N 0.546 123.450 122.820 0.141 0.000 1.902 270 A HA -0.088 4.232 4.320 0.001 0.000 0.217 270 A C 2.337 180.107 177.584 0.310 0.000 1.181 270 A CA 1.673 53.830 52.037 0.200 0.000 0.623 270 A CB -0.701 18.417 19.000 0.196 0.000 0.818 270 A HN 0.532 nan 8.150 nan 0.000 0.443 271 A N -0.056 122.935 122.820 0.284 0.000 1.902 271 A HA -0.176 4.145 4.320 0.001 0.000 0.217 271 A C 1.790 179.388 177.584 0.024 0.000 1.181 271 A CA 1.892 53.966 52.037 0.062 0.000 0.623 271 A CB -0.622 18.307 19.000 -0.119 0.000 0.818 271 A HN 0.449 nan 8.150 nan 0.000 0.443 272 D N 0.096 120.520 120.400 0.039 0.000 2.116 272 D HA -0.157 4.484 4.640 0.001 0.000 0.193 272 D C 1.831 178.141 176.300 0.018 0.000 0.998 272 D CA 1.383 55.400 54.000 0.028 0.000 0.836 272 D CB -0.357 40.461 40.800 0.031 0.000 0.951 272 D HN 0.517 nan 8.370 nan 0.000 0.449 273 I N 0.996 121.583 120.570 0.030 0.000 2.179 273 I HA -0.273 3.898 4.170 0.001 0.000 0.242 273 I C 2.474 178.531 176.117 -0.100 0.000 1.088 273 I CA 1.170 62.470 61.300 -0.001 0.000 1.357 273 I CB -0.206 37.830 38.000 0.060 0.000 1.051 273 I HN -0.070 nan 8.210 nan 0.000 0.409 274 A N 0.141 122.935 122.820 -0.044 0.000 1.940 274 A HA -0.166 4.154 4.320 0.001 0.000 0.219 274 A C 2.424 179.894 177.584 -0.191 0.000 1.176 274 A CA 1.877 53.847 52.037 -0.112 0.000 0.631 274 A CB -0.944 18.123 19.000 0.113 0.000 0.814 274 A HN 0.264 nan 8.150 nan 0.000 0.446 275 V N -0.261 119.607 119.914 -0.077 0.000 2.323 275 V HA -0.242 3.879 4.120 0.001 0.000 0.244 275 V C 2.659 178.755 176.094 0.004 0.000 1.041 275 V CA 1.880 64.194 62.300 0.023 0.000 1.025 275 V CB -0.567 31.335 31.823 0.132 0.000 0.656 275 V HN 0.503 nan 8.190 nan 0.000 0.451 276 M N -0.119 119.474 119.600 -0.012 0.000 2.159 276 M HA -0.097 4.384 4.480 0.001 0.000 0.263 276 M C 2.221 178.461 176.300 -0.101 0.000 1.063 276 M CA 2.055 57.359 55.300 0.008 0.000 1.110 276 M CB -1.208 31.375 32.600 -0.030 0.000 1.374 276 M HN 0.410 nan 8.290 nan 0.000 0.411 277 A N -0.301 122.319 122.820 -0.334 0.000 2.206 277 A HA -0.039 4.282 4.320 0.001 0.000 0.211 277 A C 1.810 179.109 177.584 -0.474 0.000 1.158 277 A CA 0.942 52.584 52.037 -0.658 0.000 0.761 277 A CB -0.392 17.767 19.000 -1.402 0.000 0.801 277 A HN 0.537 nan 8.150 nan 0.000 0.473 278 N N -2.091 116.332 118.700 -0.461 0.000 2.382 278 N HA 0.146 4.887 4.740 0.001 0.000 0.200 278 N C -0.000 175.196 175.510 -0.523 0.000 1.122 278 N CA 0.606 53.265 53.050 -0.651 0.000 0.870 278 N CB 0.414 38.237 38.487 -1.106 0.000 1.176 278 N HN 0.428 nan 8.380 nan 0.000 0.474 279 F N -0.312 119.709 119.950 0.119 0.000 2.767 279 F HA 0.344 4.871 4.527 0.001 0.000 0.323 279 F C 0.434 176.376 175.800 0.237 0.000 1.091 279 F CA -1.103 57.040 58.000 0.237 0.000 1.192 279 F CB -0.381 38.761 39.000 0.237 0.000 1.056 279 F HN -0.191 nan 8.300 nan 0.000 0.571 280 F N 1.725 121.786 119.950 0.186 0.000 2.595 280 F HA 0.180 4.707 4.527 0.001 0.000 0.359 280 F C 1.503 177.329 175.800 0.044 0.000 1.147 280 F CA 0.368 58.435 58.000 0.112 0.000 1.341 280 F CB 0.496 39.551 39.000 0.092 0.000 1.104 280 F HN 0.063 nan 8.300 nan 0.000 0.603 281 S N 2.502 117.907 115.700 -0.492 0.000 3.486 281 S HA -0.268 4.203 4.470 0.001 0.000 0.371 281 S C 0.481 174.877 174.600 -0.339 0.000 1.001 281 S CA 0.816 58.786 58.200 -0.382 0.000 1.164 281 S CB -2.126 60.968 63.200 -0.177 0.000 0.911 281 S HN 0.992 nan 8.310 nan 0.000 0.472 282 S N -1.541 113.867 115.700 -0.486 0.000 3.581 282 S HA -0.132 4.339 4.470 0.001 0.000 0.354 282 S C 1.492 175.995 174.600 -0.161 0.000 1.059 282 S CA 0.964 58.762 58.200 -0.671 0.000 1.060 282 S CB -1.919 60.714 63.200 -0.945 0.000 0.908 282 S HN 2.475 nan 8.310 nan 0.000 0.475 283 G N 0.011 108.823 108.800 0.021 0.000 2.143 283 G HA2 -0.308 3.653 3.960 0.001 0.000 0.249 283 G HA3 -0.308 3.653 3.960 0.001 0.000 0.249 283 G C -0.091 174.738 174.900 -0.119 0.000 0.981 283 G CA 0.435 45.561 45.100 0.043 0.000 0.665 283 G HN 0.692 nan 8.290 nan 0.000 0.528 284 Q N -0.096 119.566 119.800 -0.229 0.000 2.465 284 Q HA 0.489 4.830 4.340 0.001 0.000 0.361 284 Q C -0.156 175.649 176.000 -0.324 0.000 0.957 284 Q CA -0.231 55.173 55.803 -0.664 0.000 1.065 284 Q CB 1.496 29.930 28.738 -0.507 0.000 1.274 284 Q HN 0.328 nan 8.270 nan 0.000 0.421 285 V N -0.289 119.658 119.914 0.055 0.000 2.448 285 V HA 0.085 4.206 4.120 0.001 0.000 0.295 285 V C 0.963 177.293 176.094 0.394 0.000 1.025 285 V CA -0.719 61.757 62.300 0.293 0.000 0.859 285 V CB 1.465 33.456 31.823 0.281 0.000 0.988 285 V HN 0.583 nan 8.190 nan 0.000 0.431 286 C N 2.066 121.589 119.300 0.371 0.000 2.419 286 C HA -0.118 4.343 4.460 0.001 0.000 0.281 286 C C 2.623 177.718 174.990 0.175 0.000 1.336 286 C CA 1.497 60.639 59.018 0.207 0.000 1.770 286 C CB -1.179 26.556 27.740 -0.008 0.000 1.929 286 C HN 1.021 nan 8.230 nan 0.000 0.509 287 T N -1.671 113.026 114.554 0.238 0.000 3.148 287 T HA 0.014 4.365 4.350 0.001 0.000 0.253 287 T C 0.361 175.408 174.700 0.579 0.000 1.134 287 T CA 0.043 62.354 62.100 0.352 0.000 1.051 287 T CB -0.655 68.468 68.868 0.424 0.000 0.959 287 T HN 0.383 nan 8.240 nan 0.000 0.525 288 N N 2.418 121.359 118.700 0.401 0.000 2.353 288 N HA 0.256 4.997 4.740 0.001 0.000 0.248 288 N C 0.575 176.184 175.510 0.165 0.000 1.240 288 N CA 0.367 53.573 53.050 0.260 0.000 0.862 288 N CB 0.521 39.062 38.487 0.091 0.000 1.086 288 N HN 0.508 nan 8.380 nan 0.000 0.453 289 G N 0.233 108.853 108.800 -0.299 0.000 3.161 289 G HA2 0.151 4.112 3.960 0.001 0.000 0.293 289 G HA3 0.151 4.112 3.960 0.001 0.000 0.293 289 G C 1.035 175.748 174.900 -0.312 0.000 0.893 289 G CA -0.399 44.412 45.100 -0.483 0.000 1.756 289 G HN 0.617 nan 8.290 nan 0.000 0.549 290 T N -1.348 113.133 114.554 -0.121 0.000 3.081 290 T HA 0.156 4.507 4.350 0.001 0.000 0.255 290 T C 1.081 175.725 174.700 -0.093 0.000 1.113 290 T CA -0.042 61.991 62.100 -0.111 0.000 1.082 290 T CB 0.309 69.144 68.868 -0.056 0.000 0.939 290 T HN 0.294 nan 8.240 nan 0.000 0.506 291 R N 1.379 121.838 120.500 -0.067 0.000 2.239 291 R HA 0.560 4.901 4.340 0.001 0.000 0.332 291 R C -1.406 174.792 176.300 -0.170 0.000 0.988 291 R CA -0.439 55.574 56.100 -0.144 0.000 0.859 291 R CB 1.689 31.958 30.300 -0.051 0.000 1.148 291 R HN 0.125 nan 8.270 nan 0.000 0.482 292 V N 5.476 125.248 119.914 -0.237 0.000 2.318 292 V HA 0.270 4.391 4.120 0.001 0.000 0.271 292 V C -0.383 175.582 176.094 -0.216 0.000 1.030 292 V CA -0.511 61.704 62.300 -0.141 0.000 0.844 292 V CB 0.432 32.233 31.823 -0.037 0.000 1.015 292 V HN 0.545 nan 8.190 nan 0.000 0.460 293 F N 5.632 125.539 119.950 -0.071 0.000 2.404 293 F HA 0.542 5.070 4.527 0.001 0.000 0.358 293 F C 0.083 175.906 175.800 0.039 0.000 1.120 293 F CA -0.270 57.729 58.000 -0.002 0.000 1.144 293 F CB 1.179 40.100 39.000 -0.131 0.000 1.133 293 F HN 0.324 nan 8.300 nan 0.000 0.495 294 I N 3.399 124.073 120.570 0.173 0.000 2.509 294 I HA 0.293 4.464 4.170 0.001 0.000 0.293 294 I C -0.455 175.531 176.117 -0.219 0.000 1.020 294 I CA -0.661 60.597 61.300 -0.071 0.000 1.088 294 I CB 1.007 38.811 38.000 -0.327 0.000 1.267 294 I HN 0.502 nan 8.210 nan 0.000 0.430 295 H N 5.393 124.177 119.070 -0.476 0.000 2.764 295 H HA 0.239 4.796 4.556 0.001 0.000 0.341 295 H C 1.318 176.434 175.328 -0.355 0.000 1.072 295 H CA 0.608 56.196 56.048 -0.766 0.000 1.444 295 H CB 0.842 30.290 29.762 -0.523 0.000 1.458 295 H HN 0.611 nan 8.280 nan 0.000 0.572 296 R N 2.072 122.067 120.500 -0.842 0.000 2.103 296 R HA -0.194 4.146 4.340 0.001 0.000 0.242 296 R C 1.829 178.005 176.300 -0.208 0.000 1.142 296 R CA 1.927 57.773 56.100 -0.424 0.000 0.960 296 R CB -0.356 29.707 30.300 -0.395 0.000 0.858 296 R HN 0.761 nan 8.270 nan 0.000 0.439 297 S N -0.651 114.986 115.700 -0.104 0.000 2.500 297 S HA -0.111 4.360 4.470 0.001 0.000 0.239 297 S C 1.373 176.015 174.600 0.071 0.000 0.989 297 S CA 0.911 59.159 58.200 0.079 0.000 0.951 297 S CB 0.132 63.458 63.200 0.210 0.000 0.759 297 S HN 0.535 nan 8.310 nan 0.000 0.523 298 Q N -0.326 119.505 119.800 0.052 0.000 2.189 298 Q HA 0.208 4.549 4.340 0.001 0.000 0.223 298 Q C 1.876 177.923 176.000 0.079 0.000 0.828 298 Q CA -0.096 55.744 55.803 0.063 0.000 0.967 298 Q CB 0.104 28.876 28.738 0.056 0.000 1.139 298 Q HN 0.719 nan 8.270 nan 0.000 0.497 299 Q N 1.299 121.121 119.800 0.036 0.000 2.045 299 Q HA -0.234 4.107 4.340 0.001 0.000 0.206 299 Q C 1.909 177.980 176.000 0.119 0.000 0.991 299 Q CA 1.922 57.770 55.803 0.075 0.000 0.851 299 Q CB -0.051 28.695 28.738 0.014 0.000 0.911 299 Q HN 0.377 nan 8.270 nan 0.000 0.418 300 A N 0.948 123.810 122.820 0.069 0.000 1.865 300 A HA -0.230 4.091 4.320 0.001 0.000 0.217 300 A C 2.102 179.725 177.584 0.065 0.000 1.191 300 A CA 1.788 53.857 52.037 0.054 0.000 0.623 300 A CB -0.605 18.413 19.000 0.031 0.000 0.826 300 A HN 0.425 nan 8.150 nan 0.000 0.444 301 R N -2.093 118.456 120.500 0.081 0.000 2.081 301 R HA -0.089 4.251 4.340 0.001 0.000 0.235 301 R C 2.022 178.390 176.300 0.112 0.000 1.131 301 R CA 1.516 57.664 56.100 0.079 0.000 0.960 301 R CB -0.526 29.823 30.300 0.081 0.000 0.856 301 R HN 0.564 nan 8.270 nan 0.000 0.436 302 F N 2.176 122.129 119.950 0.006 0.000 2.095 302 F HA -0.206 4.322 4.527 0.001 0.000 0.298 302 F C 1.903 177.702 175.800 -0.002 0.000 1.104 302 F CA 1.685 59.688 58.000 0.005 0.000 1.232 302 F CB -0.109 38.896 39.000 0.010 0.000 0.987 302 F HN -0.007 nan 8.300 nan 0.000 0.475 303 E N -0.056 120.148 120.200 0.006 0.000 2.110 303 E HA -0.186 4.164 4.350 0.001 0.000 0.193 303 E C 2.380 178.893 176.600 -0.144 0.000 0.988 303 E CA 0.910 57.246 56.400 -0.107 0.000 0.804 303 E CB -0.417 29.287 29.700 0.007 0.000 0.745 303 E HN 0.492 nan 8.360 nan 0.000 0.458 304 A N 1.740 124.509 122.820 -0.085 0.000 1.883 304 A HA -0.260 4.061 4.320 0.001 0.000 0.217 304 A C 1.961 179.477 177.584 -0.114 0.000 1.186 304 A CA 1.642 53.631 52.037 -0.080 0.000 0.624 304 A CB -0.323 18.655 19.000 -0.037 0.000 0.822 304 A HN 0.060 nan 8.150 nan 0.000 0.444 305 K N -0.630 119.684 120.400 -0.143 0.000 2.097 305 K HA -0.021 4.300 4.320 0.001 0.000 0.205 305 K C 1.886 178.355 176.600 -0.219 0.000 1.050 305 K CA 1.224 57.419 56.287 -0.154 0.000 0.938 305 K CB -0.289 32.140 32.500 -0.120 0.000 0.718 305 K HN 0.318 nan 8.250 nan 0.000 0.442 306 V N 1.672 121.369 119.914 -0.363 0.000 2.307 306 V HA -0.231 3.889 4.120 0.001 0.000 0.245 306 V C 2.185 178.166 176.094 -0.188 0.000 1.045 306 V CA 1.353 63.456 62.300 -0.328 0.000 1.024 306 V CB -0.360 31.174 31.823 -0.481 0.000 0.651 306 V HN 0.245 nan 8.190 nan 0.000 0.449 307 L N 0.480 121.598 121.223 -0.174 0.000 2.013 307 L HA -0.232 4.109 4.340 0.001 0.000 0.212 307 L C 2.483 179.276 176.870 -0.128 0.000 1.073 307 L CA 2.527 57.284 54.840 -0.140 0.000 0.753 307 L CB -0.756 41.232 42.059 -0.118 0.000 0.890 307 L HN 0.488 nan 8.230 nan 0.000 0.432 308 E N -0.676 119.456 120.200 -0.114 0.000 2.077 308 E HA -0.283 4.068 4.350 0.001 0.000 0.193 308 E C 2.309 178.853 176.600 -0.094 0.000 0.989 308 E CA 1.361 57.704 56.400 -0.094 0.000 0.800 308 E CB -0.060 29.594 29.700 -0.076 0.000 0.746 308 E HN 0.505 nan 8.360 nan 0.000 0.452 309 R N -0.072 120.371 120.500 -0.095 0.000 2.081 309 R HA -0.113 4.228 4.340 0.001 0.000 0.235 309 R C 2.505 178.736 176.300 -0.114 0.000 1.131 309 R CA 1.427 57.479 56.100 -0.080 0.000 0.960 309 R CB -0.336 29.932 30.300 -0.053 0.000 0.856 309 R HN 0.095 nan 8.270 nan 0.000 0.436 310 V N 1.253 121.077 119.914 -0.151 0.000 2.343 310 V HA -0.269 3.852 4.120 0.001 0.000 0.247 310 V C 2.179 178.114 176.094 -0.265 0.000 1.051 310 V CA 1.781 63.925 62.300 -0.260 0.000 1.036 310 V CB -0.490 31.156 31.823 -0.296 0.000 0.654 310 V HN 0.382 nan 8.190 nan 0.000 0.451 311 Q N -0.047 119.636 119.800 -0.195 0.000 2.291 311 Q HA -0.186 4.155 4.340 0.001 0.000 0.206 311 Q C 2.187 178.095 176.000 -0.155 0.000 0.976 311 Q CA 1.405 57.104 55.803 -0.173 0.000 0.875 311 Q CB -0.150 28.509 28.738 -0.132 0.000 0.927 311 Q HN 0.732 nan 8.270 nan 0.000 0.450 312 R N 0.048 120.466 120.500 -0.137 0.000 2.362 312 R HA 0.197 4.538 4.340 0.001 0.000 0.227 312 R C 0.181 176.412 176.300 -0.115 0.000 0.905 312 R CA -0.183 55.852 56.100 -0.107 0.000 1.067 312 R CB -0.036 30.220 30.300 -0.073 0.000 1.078 312 R HN 0.064 nan 8.270 nan 0.000 0.516 313 I N 3.040 123.506 120.570 -0.174 0.000 2.752 313 I HA -0.058 4.113 4.170 0.001 0.000 0.289 313 I C 0.401 176.419 176.117 -0.165 0.000 1.197 313 I CA 0.397 61.582 61.300 -0.192 0.000 1.432 313 I CB 0.516 38.289 38.000 -0.378 0.000 1.359 313 I HN 0.119 nan 8.210 nan 0.000 0.571 314 R N 7.080 127.534 120.500 -0.076 0.000 2.825 314 R HA 0.319 4.660 4.340 0.001 0.000 0.261 314 R C -0.488 175.812 176.300 -0.000 0.000 1.341 314 R CA -0.603 55.471 56.100 -0.043 0.000 1.353 314 R CB 0.371 30.667 30.300 -0.007 0.000 1.191 314 R HN 0.541 nan 8.270 nan 0.000 0.590 315 L N 1.767 122.953 121.223 -0.063 0.000 2.410 315 L HA 0.449 4.790 4.340 0.001 0.000 0.273 315 L C 0.239 177.055 176.870 -0.091 0.000 1.152 315 L CA 0.604 55.438 54.840 -0.010 0.000 0.855 315 L CB 0.627 42.587 42.059 -0.166 0.000 1.129 315 L HN 0.668 nan 8.230 nan 0.000 0.463 316 G N 3.005 111.827 108.800 0.036 0.000 2.341 316 G HA2 0.060 4.021 3.960 0.001 0.000 0.299 316 G HA3 0.060 4.021 3.960 0.001 0.000 0.299 316 G C -1.741 173.380 174.900 0.369 0.000 1.274 316 G CA -0.706 44.495 45.100 0.168 0.000 0.853 316 G HN 0.529 nan 8.290 nan 0.000 0.493 317 D N 1.126 121.747 120.400 0.369 0.000 2.451 317 D HA 0.186 4.827 4.640 0.001 0.000 0.254 317 D C -0.737 175.659 176.300 0.160 0.000 1.204 317 D CA -1.413 52.747 54.000 0.266 0.000 0.896 317 D CB 1.517 42.406 40.800 0.148 0.000 1.136 317 D HN 0.019 nan 8.370 nan 0.000 0.499 318 P HA -0.117 nan 4.420 nan 0.000 0.226 318 P C 0.930 178.244 177.300 0.023 0.000 1.153 318 P CA 0.844 63.966 63.100 0.036 0.000 0.777 318 P CB 0.298 31.985 31.700 -0.022 0.000 0.794 319 Q N -0.725 119.099 119.800 0.039 0.000 2.435 319 Q HA -0.025 4.316 4.340 0.001 0.000 0.207 319 Q C 0.735 176.752 176.000 0.029 0.000 0.956 319 Q CA 0.238 56.057 55.803 0.028 0.000 0.917 319 Q CB -0.115 28.639 28.738 0.027 0.000 0.997 319 Q HN 0.226 nan 8.270 nan 0.000 0.497 320 D N 0.436 120.861 120.400 0.041 0.000 2.308 320 D HA -0.019 4.621 4.640 0.001 0.000 0.251 320 D C 0.267 176.585 176.300 0.030 0.000 1.127 320 D CA 0.206 54.227 54.000 0.036 0.000 0.876 320 D CB 1.079 41.908 40.800 0.048 0.000 1.176 320 D HN 0.122 nan 8.370 nan 0.000 0.446 321 E N 2.277 122.491 120.200 0.023 0.000 2.274 321 E HA -0.133 4.218 4.350 0.001 0.000 0.194 321 E C 0.813 177.426 176.600 0.023 0.000 0.996 321 E CA 0.593 57.006 56.400 0.021 0.000 0.840 321 E CB 0.145 29.856 29.700 0.019 0.000 0.772 321 E HN 0.444 nan 8.360 nan 0.000 0.491 322 N N -0.013 118.702 118.700 0.026 0.000 2.412 322 N HA -0.012 4.729 4.740 0.001 0.000 0.184 322 N C -0.399 175.130 175.510 0.031 0.000 1.101 322 N CA 0.207 53.273 53.050 0.026 0.000 0.881 322 N CB 0.588 39.088 38.487 0.022 0.000 0.969 322 N HN -0.094 nan 8.380 nan 0.000 0.459 323 T N 0.950 115.526 114.554 0.038 0.000 2.916 323 T HA 0.027 4.378 4.350 0.001 0.000 0.303 323 T C 0.900 175.619 174.700 0.031 0.000 1.025 323 T CA 0.030 62.157 62.100 0.046 0.000 1.142 323 T CB 0.514 69.420 68.868 0.062 0.000 0.947 323 T HN 0.407 nan 8.240 nan 0.000 0.544 324 N N 1.140 119.869 118.700 0.048 0.000 2.160 324 N HA 0.141 4.882 4.740 0.001 0.000 0.226 324 N C -0.738 174.815 175.510 0.072 0.000 1.256 324 N CA -0.436 52.636 53.050 0.036 0.000 0.890 324 N CB 0.318 38.841 38.487 0.059 0.000 1.116 324 N HN 0.523 nan 8.380 nan 0.000 0.517 325 F N 0.534 120.431 119.950 -0.089 0.000 2.653 325 F HA 0.706 5.234 4.527 0.001 0.000 0.327 325 F C 0.113 175.877 175.800 -0.060 0.000 1.195 325 F CA -0.813 57.127 58.000 -0.099 0.000 0.993 325 F CB 1.348 40.284 39.000 -0.107 0.000 1.259 325 F HN 0.047 nan 8.300 nan 0.000 0.478 326 G N 4.716 113.297 108.800 -0.365 0.000 2.642 326 G HA2 0.652 4.612 3.960 0.001 0.000 0.291 326 G HA3 0.652 4.612 3.960 0.001 0.000 0.291 326 G C -2.873 171.764 174.900 -0.438 0.000 1.345 326 G CA -1.701 43.249 45.100 -0.251 0.000 1.043 326 G HN 0.376 nan 8.290 nan 0.000 0.528 327 P HA 0.234 nan 4.420 nan 0.000 0.277 327 P C 0.034 177.004 177.300 -0.551 0.000 1.276 327 P CA -0.387 62.157 63.100 -0.927 0.000 0.788 327 P CB 1.012 31.946 31.700 -1.277 0.000 1.114 328 L N -0.214 120.743 121.223 -0.442 0.000 2.479 328 L HA 0.165 4.506 4.340 0.001 0.000 0.249 328 L C 2.171 178.821 176.870 -0.366 0.000 1.178 328 L CA -0.482 54.171 54.840 -0.312 0.000 0.811 328 L CB 0.185 42.144 42.059 -0.168 0.000 1.187 328 L HN 0.097 nan 8.230 nan 0.000 0.480 329 V N -0.345 119.343 119.914 -0.376 0.000 2.809 329 V HA -0.060 4.061 4.120 0.001 0.000 0.256 329 V C 0.813 176.637 176.094 -0.450 0.000 1.080 329 V CA 1.449 63.468 62.300 -0.468 0.000 1.102 329 V CB 0.200 31.567 31.823 -0.760 0.000 0.705 329 V HN 0.907 nan 8.190 nan 0.000 0.475 330 S N -3.169 112.281 115.700 -0.416 0.000 2.588 330 S HA 0.421 4.892 4.470 0.001 0.000 0.269 330 S C -0.089 174.346 174.600 -0.275 0.000 1.157 330 S CA -0.404 57.608 58.200 -0.313 0.000 0.824 330 S CB 0.671 63.732 63.200 -0.231 0.000 1.126 330 S HN 0.013 nan 8.310 nan 0.000 0.464 331 F N 1.066 120.982 119.950 -0.057 0.000 2.113 331 F HA 0.199 4.727 4.527 0.001 0.000 0.297 331 F C -0.791 175.009 175.800 0.000 0.000 1.103 331 F CA 1.133 59.120 58.000 -0.022 0.000 1.248 331 F CB -1.759 37.234 39.000 -0.011 0.000 0.999 331 F HN 0.427 nan 8.300 nan 0.000 0.475 332 P HA -0.206 nan 4.420 nan 0.000 0.216 332 P C 1.274 178.656 177.300 0.137 0.000 1.153 332 P CA 1.804 64.981 63.100 0.129 0.000 0.858 332 P CB -0.118 31.641 31.700 0.099 0.000 0.789 333 H N -0.884 118.174 119.070 -0.019 0.000 2.321 333 H HA -0.078 4.479 4.556 0.001 0.000 0.300 333 H C 2.018 177.360 175.328 0.023 0.000 1.087 333 H CA 1.718 57.762 56.048 -0.006 0.000 1.319 333 H CB -0.911 28.763 29.762 -0.146 0.000 1.379 333 H HN -0.056 nan 8.280 nan 0.000 0.501 334 M N 0.254 119.817 119.600 -0.062 0.000 2.080 334 M HA -0.211 4.270 4.480 0.001 0.000 0.260 334 M C 1.783 178.077 176.300 -0.009 0.000 1.068 334 M CA 2.183 57.434 55.300 -0.082 0.000 1.109 334 M CB -0.099 32.459 32.600 -0.071 0.000 1.342 334 M HN 0.400 nan 8.290 nan 0.000 0.405 335 E N -0.306 119.922 120.200 0.047 0.000 2.085 335 E HA -0.207 4.144 4.350 0.001 0.000 0.194 335 E C 2.049 178.673 176.600 0.039 0.000 0.994 335 E CA 1.646 58.081 56.400 0.058 0.000 0.801 335 E CB -0.277 29.469 29.700 0.078 0.000 0.743 335 E HN 0.595 nan 8.360 nan 0.000 0.453 336 S N 0.432 116.159 115.700 0.045 0.000 2.359 336 S HA -0.150 4.321 4.470 0.001 0.000 0.224 336 S C 2.170 176.833 174.600 0.105 0.000 1.035 336 S CA 1.213 59.453 58.200 0.067 0.000 1.018 336 S CB -0.176 63.114 63.200 0.150 0.000 0.876 336 S HN 0.091 nan 8.310 nan 0.000 0.448 337 V N 2.117 122.058 119.914 0.044 0.000 2.343 337 V HA -0.125 3.995 4.120 0.001 0.000 0.247 337 V C 2.436 178.617 176.094 0.145 0.000 1.051 337 V CA 1.828 64.195 62.300 0.112 0.000 1.036 337 V CB -0.759 31.038 31.823 -0.042 0.000 0.654 337 V HN 0.477 nan 8.190 nan 0.000 0.451 338 L N 0.534 121.805 121.223 0.081 0.000 2.042 338 L HA -0.127 4.213 4.340 0.001 0.000 0.210 338 L C 2.667 179.582 176.870 0.075 0.000 1.076 338 L CA 1.790 56.681 54.840 0.085 0.000 0.749 338 L CB -1.227 40.870 42.059 0.064 0.000 0.893 338 L HN 0.472 nan 8.230 nan 0.000 0.432 339 G N -1.063 107.752 108.800 0.025 0.000 2.442 339 G HA2 -0.295 3.666 3.960 0.001 0.000 0.219 339 G HA3 -0.295 3.666 3.960 0.001 0.000 0.219 339 G C 1.305 176.157 174.900 -0.079 0.000 1.141 339 G CA 0.678 45.745 45.100 -0.055 0.000 0.763 339 G HN 0.272 nan 8.290 nan 0.000 0.554 340 Y N 0.430 120.759 120.300 0.049 0.000 2.200 340 Y HA 0.065 4.616 4.550 0.001 0.000 0.290 340 Y C 2.742 178.674 175.900 0.053 0.000 1.137 340 Y CA 0.700 58.826 58.100 0.043 0.000 1.163 340 Y CB -0.217 38.279 38.460 0.060 0.000 0.988 340 Y HN 0.127 nan 8.280 nan 0.000 0.518 341 I N -0.352 120.385 120.570 0.279 0.000 2.226 341 I HA -0.260 3.911 4.170 0.001 0.000 0.245 341 I C 2.194 178.460 176.117 0.248 0.000 1.100 341 I CA 1.194 62.702 61.300 0.347 0.000 1.374 341 I CB -0.246 37.938 38.000 0.308 0.000 1.057 341 I HN 0.161 nan 8.210 nan 0.000 0.413 342 E N 0.318 120.600 120.200 0.137 0.000 2.077 342 E HA -0.217 4.133 4.350 0.001 0.000 0.193 342 E C 2.305 178.925 176.600 0.033 0.000 0.989 342 E CA 1.593 58.042 56.400 0.081 0.000 0.800 342 E CB -0.489 29.237 29.700 0.043 0.000 0.746 342 E HN 0.404 nan 8.360 nan 0.000 0.452 343 S N 0.121 115.822 115.700 0.002 0.000 2.368 343 S HA -0.113 4.357 4.470 0.001 0.000 0.225 343 S C 2.171 176.710 174.600 -0.102 0.000 1.030 343 S CA 1.707 59.886 58.200 -0.036 0.000 0.999 343 S CB -0.517 62.667 63.200 -0.028 0.000 0.844 343 S HN 0.314 nan 8.310 nan 0.000 0.459 344 G N 1.210 109.870 108.800 -0.233 0.000 2.440 344 G HA2 -0.200 3.761 3.960 0.001 0.000 0.218 344 G HA3 -0.200 3.761 3.960 0.001 0.000 0.218 344 G C 1.583 176.281 174.900 -0.337 0.000 1.154 344 G CA 0.940 45.660 45.100 -0.634 0.000 0.767 344 G HN 0.600 nan 8.290 nan 0.000 0.552 345 K N 0.511 120.895 120.400 -0.028 0.000 2.025 345 K HA 0.097 4.417 4.320 0.001 0.000 0.207 345 K C 2.955 179.578 176.600 0.039 0.000 1.049 345 K CA 0.967 57.325 56.287 0.118 0.000 0.933 345 K CB -0.225 32.373 32.500 0.164 0.000 0.714 345 K HN 0.259 nan 8.250 nan 0.000 0.438 346 A N 1.397 124.222 122.820 0.008 0.000 1.972 346 A HA -0.185 4.136 4.320 0.001 0.000 0.219 346 A C 1.771 179.348 177.584 -0.011 0.000 1.169 346 A CA 1.273 53.311 52.037 0.001 0.000 0.635 346 A CB -0.287 18.711 19.000 -0.004 0.000 0.810 346 A HN 0.315 nan 8.150 nan 0.000 0.446 347 Q N -0.978 118.799 119.800 -0.038 0.000 2.403 347 Q HA 0.085 4.425 4.340 0.001 0.000 0.203 347 Q C -0.508 175.474 176.000 -0.030 0.000 0.932 347 Q CA 0.210 55.990 55.803 -0.039 0.000 0.945 347 Q CB 0.131 28.834 28.738 -0.058 0.000 1.045 347 Q HN 0.623 nan 8.270 nan 0.000 0.511 348 K N -1.105 119.288 120.400 -0.013 0.000 3.291 348 K HA -0.160 4.160 4.320 0.001 0.000 0.290 348 K C -0.327 176.291 176.600 0.030 0.000 1.235 348 K CA 0.294 56.592 56.287 0.019 0.000 0.848 348 K CB -2.022 30.489 32.500 0.018 0.000 1.295 348 K HN 0.302 nan 8.250 nan 0.000 0.497 349 A N 1.692 124.515 122.820 0.004 0.000 2.483 349 A HA 0.217 4.537 4.320 0.001 0.000 0.238 349 A C 0.476 178.195 177.584 0.224 0.000 1.070 349 A CA -0.006 52.072 52.037 0.069 0.000 0.770 349 A CB 0.272 19.220 19.000 -0.086 0.000 1.008 349 A HN 0.383 nan 8.150 nan 0.000 0.497 350 R N 1.729 122.351 120.500 0.204 0.000 2.267 350 R HA 0.343 4.684 4.340 0.001 0.000 0.319 350 R C -0.713 175.696 176.300 0.181 0.000 1.067 350 R CA -0.521 55.676 56.100 0.161 0.000 0.936 350 R CB 0.213 30.564 30.300 0.085 0.000 1.006 350 R HN 0.624 nan 8.270 nan 0.000 0.452 351 L N 6.036 127.314 121.223 0.092 0.000 2.385 351 L HA 0.113 4.454 4.340 0.001 0.000 0.281 351 L C 0.340 177.125 176.870 -0.142 0.000 1.106 351 L CA 0.205 54.953 54.840 -0.153 0.000 0.856 351 L CB 1.045 42.988 42.059 -0.193 0.000 1.186 351 L HN 0.858 nan 8.230 nan 0.000 0.453 352 L N 5.979 127.096 121.223 -0.176 0.000 2.168 352 L HA 0.232 4.572 4.340 0.001 0.000 0.203 352 L C 0.406 177.185 176.870 -0.153 0.000 1.078 352 L CA 1.185 55.952 54.840 -0.122 0.000 0.780 352 L CB 0.226 42.233 42.059 -0.087 0.000 0.939 352 L HN 0.866 nan 8.230 nan 0.000 0.451 353 C N -3.295 115.880 119.300 -0.209 0.000 3.311 353 C HA 0.812 5.273 4.460 0.001 0.000 0.325 353 C C 0.704 175.543 174.990 -0.252 0.000 1.352 353 C CA -0.760 58.133 59.018 -0.209 0.000 1.308 353 C CB 0.850 28.474 27.740 -0.194 0.000 1.619 353 C HN 0.930 nan 8.230 nan 0.000 0.469 354 G N 0.491 109.155 108.800 -0.227 0.000 2.527 354 G HA2 0.360 4.321 3.960 0.001 0.000 0.268 354 G HA3 0.360 4.321 3.960 0.001 0.000 0.268 354 G C 1.064 175.855 174.900 -0.181 0.000 1.175 354 G CA 1.882 46.852 45.100 -0.216 0.000 0.962 354 G HN 3.275 nan 8.290 nan 0.000 0.560 355 G N -0.801 107.910 108.800 -0.149 0.000 2.134 355 G HA2 0.319 4.279 3.960 0.001 0.000 0.209 355 G HA3 0.319 4.279 3.960 0.001 0.000 0.209 355 G C 0.063 174.949 174.900 -0.023 0.000 0.993 355 G CA 1.601 46.642 45.100 -0.098 0.000 0.669 355 G HN 2.230 nan 8.290 nan 0.000 0.519 356 E N -1.089 119.095 120.200 -0.026 0.000 2.412 356 E HA 0.569 4.920 4.350 0.001 0.000 0.279 356 E C -0.277 176.330 176.600 0.012 0.000 0.984 356 E CA -1.286 55.114 56.400 0.001 0.000 0.788 356 E CB 1.228 30.922 29.700 -0.011 0.000 1.277 356 E HN 0.259 nan 8.360 nan 0.000 0.455 357 R N 1.385 121.907 120.500 0.037 0.000 2.537 357 R HA 0.202 4.543 4.340 0.001 0.000 0.280 357 R C -0.740 175.587 176.300 0.046 0.000 1.058 357 R CA -0.268 55.868 56.100 0.061 0.000 1.057 357 R CB 0.693 31.044 30.300 0.084 0.000 0.973 357 R HN 0.388 nan 8.270 nan 0.000 0.438 358 V N 5.069 125.015 119.914 0.054 0.000 2.385 358 V HA 0.123 4.244 4.120 0.001 0.000 0.269 358 V C 1.048 177.198 176.094 0.094 0.000 1.043 358 V CA 0.034 62.338 62.300 0.006 0.000 0.906 358 V CB 1.157 32.885 31.823 -0.158 0.000 0.995 358 V HN 1.080 nan 8.190 nan 0.000 0.467 359 T N -0.816 113.796 114.554 0.097 0.000 3.004 359 T HA 0.162 4.513 4.350 0.001 0.000 0.266 359 T C 0.322 175.088 174.700 0.110 0.000 0.986 359 T CA -0.402 61.770 62.100 0.120 0.000 0.902 359 T CB 0.123 69.041 68.868 0.083 0.000 1.118 359 T HN 0.474 nan 8.240 nan 0.000 0.522 360 D N 2.204 122.678 120.400 0.123 0.000 2.443 360 D HA 0.425 5.066 4.640 0.001 0.000 0.239 360 D C 1.520 177.841 176.300 0.035 0.000 1.136 360 D CA 1.783 55.837 54.000 0.091 0.000 0.879 360 D CB 0.741 41.599 40.800 0.098 0.000 1.195 360 D HN 0.444 nan 8.370 nan 0.000 0.443 361 G N 2.377 111.147 108.800 -0.050 0.000 2.620 361 G HA2 -0.331 3.630 3.960 0.001 0.000 0.315 361 G HA3 -0.331 3.630 3.960 0.001 0.000 0.315 361 G C 0.834 175.617 174.900 -0.194 0.000 1.179 361 G CA 1.172 46.179 45.100 -0.154 0.000 0.971 361 G HN 0.800 nan 8.290 nan 0.000 0.544 362 A N -1.041 121.546 122.820 -0.388 0.000 2.348 362 A HA 0.652 4.973 4.320 0.001 0.000 0.224 362 A C 1.817 179.268 177.584 -0.222 0.000 1.227 362 A CA 1.105 52.971 52.037 -0.285 0.000 0.885 362 A CB -0.074 18.757 19.000 -0.282 0.000 0.933 362 A HN 0.600 nan 8.150 nan 0.000 0.506 363 F N 0.556 120.444 119.950 -0.102 0.000 2.333 363 F HA -0.010 4.518 4.527 0.001 0.000 0.300 363 F C 2.390 178.236 175.800 0.077 0.000 1.083 363 F CA 0.853 58.748 58.000 -0.175 0.000 1.395 363 F CB -0.816 37.899 39.000 -0.475 0.000 1.056 363 F HN 0.302 nan 8.300 nan 0.000 0.529 364 G N -0.257 108.661 108.800 0.197 0.000 2.559 364 G HA2 -0.158 3.803 3.960 0.001 0.000 0.216 364 G HA3 -0.158 3.803 3.960 0.001 0.000 0.216 364 G C 1.699 176.722 174.900 0.204 0.000 1.126 364 G CA 0.274 45.486 45.100 0.186 0.000 0.778 364 G HN 0.212 nan 8.290 nan 0.000 0.543 365 K N 0.540 121.057 120.400 0.195 0.000 2.426 365 K HA 0.108 4.429 4.320 0.001 0.000 0.193 365 K C 1.283 178.113 176.600 0.383 0.000 1.028 365 K CA 0.304 56.721 56.287 0.216 0.000 1.047 365 K CB 0.776 33.351 32.500 0.124 0.000 0.821 365 K HN 0.243 nan 8.250 nan 0.000 0.513 366 G N 0.266 109.319 108.800 0.422 0.000 2.601 366 G HA2 0.476 4.437 3.960 0.001 0.000 0.317 366 G HA3 0.476 4.437 3.960 0.001 0.000 0.317 366 G C -0.819 174.160 174.900 0.131 0.000 1.246 366 G CA -0.608 44.687 45.100 0.324 0.000 1.012 366 G HN 0.080 nan 8.290 nan 0.000 0.494 367 A N 0.056 122.612 122.820 -0.439 0.000 3.260 367 A HA 0.555 4.876 4.320 0.001 0.000 0.268 367 A C -0.895 176.488 177.584 -0.335 0.000 1.491 367 A CA -0.500 51.218 52.037 -0.531 0.000 1.181 367 A CB -0.712 17.704 19.000 -0.973 0.000 1.137 367 A HN 0.458 nan 8.150 nan 0.000 0.642 368 Y N -0.077 120.182 120.300 -0.068 0.000 2.367 368 Y HA 0.419 4.969 4.550 0.001 0.000 0.342 368 Y C 0.210 176.100 175.900 -0.017 0.000 0.979 368 Y CA -0.253 57.821 58.100 -0.044 0.000 1.161 368 Y CB 1.451 39.884 38.460 -0.045 0.000 1.155 368 Y HN 0.169 nan 8.280 nan 0.000 0.503 369 V N 3.948 123.944 119.914 0.137 0.000 2.435 369 V HA 0.631 4.752 4.120 0.001 0.000 0.290 369 V C 0.228 176.408 176.094 0.144 0.000 1.030 369 V CA -1.247 61.122 62.300 0.115 0.000 0.881 369 V CB 1.332 33.204 31.823 0.082 0.000 0.983 369 V HN 0.906 nan 8.190 nan 0.000 0.445 370 A N 7.068 129.893 122.820 0.009 0.000 2.445 370 A HA 0.530 4.851 4.320 0.001 0.000 0.242 370 A C -2.358 175.085 177.584 -0.235 0.000 1.075 370 A CA -1.098 50.847 52.037 -0.153 0.000 0.777 370 A CB -0.309 18.573 19.000 -0.196 0.000 1.013 370 A HN 0.672 nan 8.150 nan 0.000 0.493 371 P HA 0.127 nan 4.420 nan 0.000 0.261 371 P C -0.512 176.505 177.300 -0.471 0.000 1.203 371 P CA 0.728 63.341 63.100 -0.811 0.000 0.767 371 P CB 0.230 31.019 31.700 -1.518 0.000 0.785 372 T N 3.120 117.609 114.554 -0.107 0.000 2.797 372 T HA 0.431 4.782 4.350 0.001 0.000 0.279 372 T C -0.205 174.530 174.700 0.059 0.000 0.991 372 T CA -0.460 61.592 62.100 -0.080 0.000 0.979 372 T CB 1.018 69.861 68.868 -0.043 0.000 0.943 372 T HN -0.040 nan 8.240 nan 0.000 0.444 373 V N 4.196 124.046 119.914 -0.108 0.000 2.407 373 V HA 0.501 4.622 4.120 0.001 0.000 0.291 373 V C -0.857 175.094 176.094 -0.238 0.000 1.018 373 V CA -0.912 61.359 62.300 -0.048 0.000 0.842 373 V CB 0.799 32.627 31.823 0.008 0.000 0.996 373 V HN 0.774 nan 8.190 nan 0.000 0.426 374 F N 2.512 122.482 119.950 0.032 0.000 2.399 374 F HA 0.704 5.231 4.527 0.001 0.000 0.334 374 F C 0.730 176.534 175.800 0.006 0.000 1.097 374 F CA 0.016 58.025 58.000 0.016 0.000 1.076 374 F CB 2.028 41.037 39.000 0.016 0.000 1.162 374 F HN 0.469 nan 8.300 nan 0.000 0.495 375 T N -0.163 114.509 114.554 0.197 0.000 2.831 375 T HA 0.310 4.661 4.350 0.001 0.000 0.287 375 T C -0.929 173.828 174.700 0.096 0.000 1.070 375 T CA -0.502 61.667 62.100 0.115 0.000 1.010 375 T CB 0.834 69.748 68.868 0.078 0.000 1.264 375 T HN 0.623 nan 8.240 nan 0.000 0.532 376 D N 0.219 120.651 120.400 0.054 0.000 2.837 376 D HA -0.144 4.496 4.640 0.001 0.000 0.230 376 D C 0.146 176.462 176.300 0.027 0.000 1.152 376 D CA 0.435 54.456 54.000 0.035 0.000 0.736 376 D CB -2.156 38.666 40.800 0.038 0.000 1.084 376 D HN 0.511 nan 8.370 nan 0.000 0.429 377 C N 0.510 119.818 119.300 0.014 0.000 2.649 377 C HA 0.471 4.932 4.460 0.001 0.000 0.377 377 C C 1.180 176.159 174.990 -0.020 0.000 1.321 377 C CA -0.574 58.436 59.018 -0.013 0.000 2.368 377 C CB 0.805 28.525 27.740 -0.034 0.000 2.597 377 C HN 0.167 nan 8.230 nan 0.000 0.678 378 R N 1.009 121.498 120.500 -0.018 0.000 2.837 378 R HA 0.259 4.600 4.340 0.001 0.000 0.271 378 R C -0.071 176.233 176.300 0.007 0.000 0.993 378 R CA -0.667 55.435 56.100 0.003 0.000 0.931 378 R CB 0.922 31.228 30.300 0.010 0.000 1.206 378 R HN 0.629 nan 8.270 nan 0.000 0.474 379 D N 0.817 121.238 120.400 0.035 0.000 2.264 379 D HA -0.125 4.515 4.640 0.001 0.000 0.208 379 D C 0.897 177.223 176.300 0.044 0.000 0.966 379 D CA 1.323 55.355 54.000 0.054 0.000 0.864 379 D CB 0.155 41.009 40.800 0.091 0.000 0.933 379 D HN 0.538 nan 8.370 nan 0.000 0.499 380 D N -0.652 119.767 120.400 0.032 0.000 2.340 380 D HA -0.065 4.576 4.640 0.001 0.000 0.220 380 D C 0.666 176.977 176.300 0.018 0.000 1.039 380 D CA -0.097 53.920 54.000 0.028 0.000 0.866 380 D CB -0.399 40.416 40.800 0.024 0.000 0.913 380 D HN 0.135 nan 8.370 nan 0.000 0.523 381 M N 0.692 120.295 119.600 0.006 0.000 2.228 381 M HA 0.071 4.551 4.480 0.001 0.000 0.351 381 M C 1.211 177.517 176.300 0.010 0.000 1.233 381 M CA -0.054 55.239 55.300 -0.012 0.000 1.129 381 M CB 1.246 33.816 32.600 -0.050 0.000 1.604 381 M HN -0.180 nan 8.290 nan 0.000 0.457 382 T N 3.208 117.777 114.554 0.025 0.000 2.699 382 T HA -0.165 4.186 4.350 0.001 0.000 0.268 382 T C 1.564 176.327 174.700 0.104 0.000 1.036 382 T CA 1.927 64.082 62.100 0.092 0.000 1.147 382 T CB -0.492 68.445 68.868 0.115 0.000 0.862 382 T HN 0.781 nan 8.240 nan 0.000 0.446 383 I N -0.240 120.350 120.570 0.033 0.000 2.493 383 I HA -0.045 4.126 4.170 0.001 0.000 0.254 383 I C 2.108 178.203 176.117 -0.038 0.000 1.160 383 I CA 0.938 62.225 61.300 -0.020 0.000 1.445 383 I CB -0.628 37.302 38.000 -0.117 0.000 1.086 383 I HN 0.027 nan 8.210 nan 0.000 0.433 384 V N 1.310 121.211 119.914 -0.022 0.000 2.446 384 V HA -0.037 4.084 4.120 0.001 0.000 0.244 384 V C 2.712 178.829 176.094 0.039 0.000 1.039 384 V CA 1.468 63.763 62.300 -0.010 0.000 1.045 384 V CB -0.759 31.052 31.823 -0.019 0.000 0.681 384 V HN 0.385 nan 8.190 nan 0.000 0.459 385 R N 0.085 120.621 120.500 0.061 0.000 2.119 385 R HA 0.096 4.437 4.340 0.001 0.000 0.222 385 R C 0.550 176.939 176.300 0.147 0.000 1.088 385 R CA 0.530 56.691 56.100 0.101 0.000 0.984 385 R CB 0.135 30.487 30.300 0.086 0.000 0.884 385 R HN 0.562 nan 8.270 nan 0.000 0.447 386 E N 1.018 121.283 120.200 0.108 0.000 2.191 386 E HA 0.108 4.458 4.350 0.001 0.000 0.274 386 E C -0.976 175.609 176.600 -0.026 0.000 0.948 386 E CA -0.425 56.046 56.400 0.118 0.000 0.802 386 E CB 1.938 31.748 29.700 0.184 0.000 1.137 386 E HN 0.040 nan 8.360 nan 0.000 0.397 387 E N 2.870 123.082 120.200 0.020 0.000 2.299 387 E HA 0.018 4.369 4.350 0.001 0.000 0.272 387 E C 0.200 176.681 176.600 -0.199 0.000 1.043 387 E CA 0.064 56.408 56.400 -0.092 0.000 0.895 387 E CB 0.496 30.131 29.700 -0.110 0.000 1.011 387 E HN 0.515 nan 8.360 nan 0.000 0.432 388 I N 4.325 124.757 120.570 -0.230 0.000 2.628 388 I HA -0.009 4.162 4.170 0.001 0.000 0.255 388 I C 0.522 176.750 176.117 0.185 0.000 1.119 388 I CA -0.009 61.123 61.300 -0.280 0.000 1.448 388 I CB 0.150 37.974 38.000 -0.293 0.000 1.133 388 I HN 0.690 nan 8.210 nan 0.000 0.438 389 F N 1.787 121.769 119.950 0.052 0.000 3.058 389 F HA -0.163 4.365 4.527 0.001 0.000 0.295 389 F C 0.214 176.217 175.800 0.339 0.000 0.875 389 F CA 0.532 58.666 58.000 0.223 0.000 1.150 389 F CB -1.308 37.876 39.000 0.308 0.000 1.175 389 F HN 0.149 nan 8.300 nan 0.000 0.599 390 G N -0.376 108.502 108.800 0.129 0.000 2.721 390 G HA2 0.645 4.606 3.960 0.001 0.000 0.296 390 G HA3 0.645 4.606 3.960 0.001 0.000 0.296 390 G C -3.197 171.775 174.900 0.120 0.000 1.383 390 G CA -0.626 44.512 45.100 0.063 0.000 0.788 390 G HN -0.093 nan 8.290 nan 0.000 0.500 391 P HA 0.361 nan 4.420 nan 0.000 0.238 391 P C -0.736 176.816 177.300 0.419 0.000 1.794 391 P CA -0.207 63.151 63.100 0.430 0.000 1.088 391 P CB 0.572 32.682 31.700 0.683 0.000 1.923 392 V N 4.285 124.340 119.914 0.235 0.000 2.445 392 V HA 0.302 4.423 4.120 0.001 0.000 0.283 392 V C 0.285 176.435 176.094 0.093 0.000 1.014 392 V CA -0.590 61.839 62.300 0.215 0.000 0.852 392 V CB 1.850 33.805 31.823 0.220 0.000 1.021 392 V HN 0.411 nan 8.190 nan 0.000 0.435 393 M N 3.373 123.016 119.600 0.073 0.000 2.180 393 M HA 0.454 4.934 4.480 0.001 0.000 0.358 393 M C -0.230 176.118 176.300 0.080 0.000 1.233 393 M CA 0.341 55.624 55.300 -0.028 0.000 1.114 393 M CB 1.087 33.635 32.600 -0.087 0.000 1.594 393 M HN 0.601 nan 8.290 nan 0.000 0.467 394 S N 6.467 122.179 115.700 0.020 0.000 2.498 394 S HA 0.525 4.996 4.470 0.001 0.000 0.324 394 S C -0.420 174.150 174.600 -0.051 0.000 1.071 394 S CA -0.681 57.535 58.200 0.027 0.000 1.113 394 S CB 0.512 63.699 63.200 -0.022 0.000 0.976 394 S HN 0.640 nan 8.310 nan 0.000 0.462 395 I N 4.075 124.646 120.570 0.000 0.000 2.342 395 I HA 0.338 4.509 4.170 0.001 0.000 0.291 395 I C -0.771 175.293 176.117 -0.087 0.000 1.010 395 I CA -0.473 60.816 61.300 -0.019 0.000 1.308 395 I CB 0.829 38.891 38.000 0.105 0.000 1.400 395 I HN 0.341 nan 8.210 nan 0.000 0.488 396 L N 7.052 128.147 121.223 -0.215 0.000 2.333 396 L HA 0.476 4.817 4.340 0.001 0.000 0.280 396 L C -0.323 176.515 176.870 -0.055 0.000 1.004 396 L CA -0.762 53.947 54.840 -0.219 0.000 0.820 396 L CB 1.962 43.666 42.059 -0.593 0.000 1.247 396 L HN 0.260 nan 8.230 nan 0.000 0.416 397 V N 3.162 123.083 119.914 0.012 0.000 2.583 397 V HA 0.303 4.424 4.120 0.001 0.000 0.287 397 V C -0.551 175.623 176.094 0.133 0.000 1.051 397 V CA -0.333 61.977 62.300 0.018 0.000 1.010 397 V CB 0.813 32.611 31.823 -0.041 0.000 0.988 397 V HN 0.651 nan 8.190 nan 0.000 0.478 398 Y N 0.802 121.115 120.300 0.022 0.000 2.581 398 Y HA 0.595 5.146 4.550 0.001 0.000 0.345 398 Y C 0.119 175.978 175.900 -0.068 0.000 1.036 398 Y CA -1.240 56.890 58.100 0.050 0.000 1.042 398 Y CB 1.638 40.186 38.460 0.148 0.000 1.289 398 Y HN 0.510 nan 8.280 nan 0.000 0.471 399 D N 0.453 120.883 120.400 0.049 0.000 2.431 399 D HA -0.004 4.637 4.640 0.001 0.000 0.227 399 D C -0.601 175.889 176.300 0.317 0.000 1.030 399 D CA 0.872 54.871 54.000 -0.002 0.000 0.897 399 D CB 0.759 41.566 40.800 0.012 0.000 1.058 399 D HN 0.808 nan 8.370 nan 0.000 0.500 400 D N 0.072 120.729 120.400 0.427 0.000 2.552 400 D HA 0.046 4.686 4.640 0.001 0.000 0.239 400 D C 0.639 177.176 176.300 0.396 0.000 1.139 400 D CA -0.488 53.752 54.000 0.399 0.000 0.914 400 D CB 2.694 43.624 40.800 0.217 0.000 1.461 400 D HN -0.164 nan 8.370 nan 0.000 0.462 401 E N 0.541 120.934 120.200 0.321 0.000 2.058 401 E HA -0.247 4.104 4.350 0.001 0.000 0.194 401 E C 0.683 177.339 176.600 0.093 0.000 0.997 401 E CA 1.670 58.228 56.400 0.263 0.000 0.801 401 E CB 0.082 29.904 29.700 0.203 0.000 0.746 401 E HN 0.366 nan 8.360 nan 0.000 0.450 402 D N 0.337 120.780 120.400 0.070 0.000 2.144 402 D HA -0.175 4.466 4.640 0.001 0.000 0.200 402 D C 1.795 178.090 176.300 -0.008 0.000 0.978 402 D CA 1.005 55.019 54.000 0.024 0.000 0.833 402 D CB -0.328 40.489 40.800 0.029 0.000 0.961 402 D HN 0.392 nan 8.370 nan 0.000 0.470 403 E N 0.827 121.039 120.200 0.021 0.000 2.058 403 E HA -0.219 4.132 4.350 0.001 0.000 0.194 403 E C 1.942 178.470 176.600 -0.120 0.000 0.997 403 E CA 1.318 57.722 56.400 0.006 0.000 0.801 403 E CB -0.019 29.737 29.700 0.093 0.000 0.746 403 E HN 0.146 nan 8.360 nan 0.000 0.450 404 A N 0.970 123.636 122.820 -0.257 0.000 1.933 404 A HA -0.141 4.180 4.320 0.001 0.000 0.218 404 A C 2.203 179.419 177.584 -0.613 0.000 1.175 404 A CA 1.355 52.994 52.037 -0.663 0.000 0.628 404 A CB -0.569 17.691 19.000 -1.233 0.000 0.814 404 A HN 0.356 nan 8.150 nan 0.000 0.444 405 I N -1.155 119.219 120.570 -0.327 0.000 2.315 405 I HA -0.214 3.957 4.170 0.001 0.000 0.248 405 I C 2.681 178.688 176.117 -0.183 0.000 1.117 405 I CA 1.422 62.589 61.300 -0.222 0.000 1.404 405 I CB -0.249 37.700 38.000 -0.086 0.000 1.071 405 I HN 0.355 nan 8.210 nan 0.000 0.419 406 R N 1.041 121.458 120.500 -0.139 0.000 2.066 406 R HA -0.128 4.213 4.340 0.001 0.000 0.232 406 R C 2.483 178.734 176.300 -0.083 0.000 1.131 406 R CA 1.362 57.417 56.100 -0.076 0.000 0.955 406 R CB -0.068 30.210 30.300 -0.037 0.000 0.851 406 R HN 0.261 nan 8.270 nan 0.000 0.432 407 R N -0.032 120.387 120.500 -0.135 0.000 2.075 407 R HA -0.053 4.288 4.340 0.001 0.000 0.232 407 R C 2.334 178.582 176.300 -0.086 0.000 1.126 407 R CA 1.135 57.194 56.100 -0.069 0.000 0.963 407 R CB -0.411 29.890 30.300 0.001 0.000 0.858 407 R HN 0.261 nan 8.270 nan 0.000 0.435 408 A N 1.994 124.583 122.820 -0.385 0.000 1.917 408 A HA -0.216 4.105 4.320 0.001 0.000 0.219 408 A C 1.762 179.331 177.584 -0.024 0.000 1.182 408 A CA 1.750 53.653 52.037 -0.224 0.000 0.633 408 A CB -0.437 18.348 19.000 -0.357 0.000 0.819 408 A HN 0.264 nan 8.150 nan 0.000 0.448 409 N N -0.041 118.634 118.700 -0.041 0.000 2.446 409 N HA -0.040 4.701 4.740 0.001 0.000 0.179 409 N C -0.097 175.437 175.510 0.039 0.000 1.054 409 N CA 0.631 53.687 53.050 0.010 0.000 0.905 409 N CB -0.252 38.234 38.487 -0.002 0.000 0.973 409 N HN 0.418 nan 8.380 nan 0.000 0.448 410 D N 0.781 121.206 120.400 0.041 0.000 2.545 410 D HA 0.107 4.748 4.640 0.001 0.000 0.227 410 D C -0.733 175.610 176.300 0.072 0.000 1.150 410 D CA 0.348 54.379 54.000 0.052 0.000 1.046 410 D CB -0.180 40.651 40.800 0.052 0.000 1.098 410 D HN -0.067 nan 8.370 nan 0.000 0.502 411 T N 0.984 115.577 114.554 0.064 0.000 2.977 411 T HA 0.135 4.486 4.350 0.001 0.000 0.345 411 T C 0.344 175.054 174.700 0.016 0.000 1.562 411 T CA -0.593 61.546 62.100 0.065 0.000 1.090 411 T CB 0.922 69.884 68.868 0.157 0.000 1.383 411 T HN 0.026 nan 8.240 nan 0.000 0.484 412 E N 1.208 121.353 120.200 -0.092 0.000 2.418 412 E HA 0.130 4.481 4.350 0.001 0.000 0.197 412 E C -0.333 176.204 176.600 -0.104 0.000 1.026 412 E CA 0.730 57.044 56.400 -0.144 0.000 0.862 412 E CB -0.046 29.494 29.700 -0.267 0.000 0.799 412 E HN 0.478 nan 8.360 nan 0.000 0.518 413 Y N -0.343 119.992 120.300 0.057 0.000 2.316 413 Y HA 0.558 5.108 4.550 0.001 0.000 0.324 413 Y C 1.369 177.310 175.900 0.069 0.000 1.267 413 Y CA -0.669 57.468 58.100 0.061 0.000 1.311 413 Y CB 1.556 40.052 38.460 0.060 0.000 1.267 413 Y HN -0.106 nan 8.280 nan 0.000 0.516 414 G N 1.234 110.188 108.800 0.257 0.000 5.528 414 G HA2 0.165 4.126 3.960 0.001 0.000 0.194 414 G HA3 0.165 4.126 3.960 0.001 0.000 0.194 414 G C -0.006 174.933 174.900 0.065 0.000 0.679 414 G CA -0.209 44.980 45.100 0.148 0.000 0.640 414 G HN 0.549 nan 8.290 nan 0.000 0.397 415 L N 0.942 122.198 121.223 0.054 0.000 2.013 415 L HA 0.749 5.090 4.340 0.001 0.000 0.204 415 L C 1.342 178.148 176.870 -0.106 0.000 1.081 415 L CA 2.186 57.023 54.840 -0.005 0.000 0.751 415 L CB -0.309 41.755 42.059 0.008 0.000 0.901 415 L HN 0.326 nan 8.230 nan 0.000 0.440 416 A N -1.601 121.180 122.820 -0.064 0.000 2.387 416 A HA 0.897 5.217 4.320 0.001 0.000 0.303 416 A C -1.069 176.487 177.584 -0.047 0.000 1.145 416 A CA -0.021 51.910 52.037 -0.176 0.000 0.801 416 A CB 1.279 20.217 19.000 -0.104 0.000 1.342 416 A HN 0.604 nan 8.150 nan 0.000 0.440 417 A N -0.935 121.797 122.820 -0.146 0.000 2.608 417 A HA 0.880 5.200 4.320 0.001 0.000 0.292 417 A C -0.369 177.240 177.584 0.042 0.000 1.066 417 A CA 0.014 52.092 52.037 0.068 0.000 0.676 417 A CB 1.157 20.149 19.000 -0.012 0.000 1.277 417 A HN 2.438 nan 8.150 nan 0.000 0.413 418 G N -0.928 108.068 108.800 0.326 0.000 2.698 418 G HA2 0.776 4.737 3.960 0.001 0.000 0.293 418 G HA3 0.776 4.737 3.960 0.001 0.000 0.293 418 G C -1.041 174.027 174.900 0.281 0.000 1.437 418 G CA 0.183 45.495 45.100 0.353 0.000 0.852 418 G HN 2.113 nan 8.290 nan 0.000 0.499 419 V N -1.976 118.068 119.914 0.216 0.000 2.962 419 V HA 0.911 5.032 4.120 0.001 0.000 0.313 419 V C -0.850 175.353 176.094 0.181 0.000 1.099 419 V CA -1.137 61.267 62.300 0.173 0.000 0.971 419 V CB 1.737 33.720 31.823 0.267 0.000 1.028 419 V HN 0.834 nan 8.190 nan 0.000 0.430 420 V N 2.501 122.516 119.914 0.169 0.000 2.443 420 V HA 0.864 4.985 4.120 0.001 0.000 0.293 420 V C -0.072 176.157 176.094 0.225 0.000 1.021 420 V CA 0.216 62.611 62.300 0.157 0.000 0.848 420 V CB 1.073 32.961 31.823 0.108 0.000 0.998 420 V HN 1.321 nan 8.190 nan 0.000 0.424 421 T N 3.198 117.854 114.554 0.170 0.000 3.003 421 T HA 0.293 4.644 4.350 0.001 0.000 0.354 421 T C -0.270 174.462 174.700 0.053 0.000 1.651 421 T CA -0.312 61.870 62.100 0.136 0.000 1.103 421 T CB 2.121 71.069 68.868 0.133 0.000 1.450 421 T HN 0.649 nan 8.240 nan 0.000 0.484 422 Q N 0.920 120.739 119.800 0.031 0.000 2.282 422 Q HA 0.212 4.553 4.340 0.001 0.000 0.206 422 Q C -0.390 175.604 176.000 -0.011 0.000 0.878 422 Q CA -0.091 55.719 55.803 0.012 0.000 0.944 422 Q CB 0.456 29.204 28.738 0.018 0.000 1.100 422 Q HN 0.589 nan 8.270 nan 0.000 0.509 423 D N 0.389 120.769 120.400 -0.033 0.000 2.317 423 D HA 0.043 4.684 4.640 0.001 0.000 0.252 423 D C 0.638 176.901 176.300 -0.062 0.000 1.174 423 D CA -0.259 53.710 54.000 -0.053 0.000 0.866 423 D CB 1.058 41.807 40.800 -0.085 0.000 1.127 423 D HN -0.047 nan 8.370 nan 0.000 0.467 424 L N 5.262 126.470 121.223 -0.026 0.000 1.990 424 L HA -0.129 4.212 4.340 0.001 0.000 0.213 424 L C 1.982 178.867 176.870 0.025 0.000 1.072 424 L CA 2.534 57.384 54.840 0.017 0.000 0.755 424 L CB -0.733 41.355 42.059 0.049 0.000 0.889 424 L HN 0.578 nan 8.230 nan 0.000 0.432 425 A N -0.490 122.322 122.820 -0.012 0.000 1.877 425 A HA -0.264 4.056 4.320 0.001 0.000 0.216 425 A C 2.557 180.084 177.584 -0.094 0.000 1.186 425 A CA 1.974 53.993 52.037 -0.031 0.000 0.620 425 A CB -0.736 18.238 19.000 -0.045 0.000 0.822 425 A HN 0.546 nan 8.150 nan 0.000 0.443 426 R N -0.520 119.882 120.500 -0.163 0.000 2.092 426 R HA -0.069 4.272 4.340 0.001 0.000 0.231 426 R C 2.336 178.472 176.300 -0.272 0.000 1.119 426 R CA 1.331 57.258 56.100 -0.288 0.000 0.970 426 R CB -0.425 29.606 30.300 -0.448 0.000 0.864 426 R HN 0.455 nan 8.270 nan 0.000 0.440 427 A N 0.877 123.565 122.820 -0.220 0.000 1.859 427 A HA -0.231 4.089 4.320 0.001 0.000 0.217 427 A C 1.948 179.354 177.584 -0.297 0.000 1.198 427 A CA 1.763 53.659 52.037 -0.234 0.000 0.629 427 A CB -0.986 17.827 19.000 -0.311 0.000 0.830 427 A HN 0.472 nan 8.150 nan 0.000 0.446 428 H N -1.251 117.691 119.070 -0.213 0.000 2.363 428 H HA -0.054 4.503 4.556 0.001 0.000 0.301 428 H C 2.302 177.237 175.328 -0.655 0.000 1.074 428 H CA 1.526 57.309 56.048 -0.443 0.000 1.354 428 H CB -0.271 29.268 29.762 -0.372 0.000 1.397 428 H HN 0.570 nan 8.280 nan 0.000 0.516 429 R N 1.028 121.380 120.500 -0.247 0.000 2.097 429 R HA -0.154 4.186 4.340 0.001 0.000 0.236 429 R C 2.476 178.707 176.300 -0.115 0.000 1.135 429 R CA 1.668 57.667 56.100 -0.167 0.000 0.934 429 R CB -0.258 29.975 30.300 -0.111 0.000 0.846 429 R HN 0.237 nan 8.270 nan 0.000 0.431 430 A N 0.756 123.512 122.820 -0.107 0.000 1.883 430 A HA -0.190 4.131 4.320 0.001 0.000 0.217 430 A C 2.141 179.733 177.584 0.014 0.000 1.186 430 A CA 1.633 53.667 52.037 -0.005 0.000 0.624 430 A CB -0.615 18.448 19.000 0.105 0.000 0.822 430 A HN 0.430 nan 8.150 nan 0.000 0.444 431 I N -0.416 120.139 120.570 -0.024 0.000 2.394 431 I HA -0.207 3.964 4.170 0.001 0.000 0.251 431 I C 2.149 178.325 176.117 0.097 0.000 1.136 431 I CA 1.470 62.774 61.300 0.007 0.000 1.425 431 I CB -0.441 37.548 38.000 -0.018 0.000 1.079 431 I HN 0.495 nan 8.210 nan 0.000 0.425 432 H N -0.687 118.391 119.070 0.014 0.000 2.456 432 H HA -0.067 4.490 4.556 0.001 0.000 0.296 432 H C 1.858 177.192 175.328 0.009 0.000 1.079 432 H CA 0.707 56.763 56.048 0.014 0.000 1.322 432 H CB 0.037 29.815 29.762 0.026 0.000 1.388 432 H HN 0.264 nan 8.280 nan 0.000 0.538 433 R N 0.380 120.950 120.500 0.117 0.000 2.280 433 R HA 0.147 4.487 4.340 0.001 0.000 0.195 433 R C -0.032 176.287 176.300 0.032 0.000 0.935 433 R CA -0.097 56.041 56.100 0.064 0.000 1.033 433 R CB 0.433 30.758 30.300 0.041 0.000 0.964 433 R HN 0.131 nan 8.270 nan 0.000 0.489 434 L N 1.945 123.174 121.223 0.010 0.000 2.360 434 L HA 0.089 4.430 4.340 0.001 0.000 0.276 434 L C 0.135 176.962 176.870 -0.071 0.000 1.121 434 L CA 0.101 54.922 54.840 -0.032 0.000 0.845 434 L CB 1.002 43.034 42.059 -0.046 0.000 1.143 434 L HN 0.037 nan 8.230 nan 0.000 0.452 435 E N 3.685 123.861 120.200 -0.041 0.000 2.110 435 E HA 0.389 4.739 4.350 0.001 0.000 0.300 435 E C -0.382 176.069 176.600 -0.248 0.000 1.278 435 E CA -0.289 56.104 56.400 -0.013 0.000 1.365 435 E CB 0.470 30.262 29.700 0.154 0.000 1.283 435 E HN 0.605 nan 8.360 nan 0.000 0.490 436 A N -0.059 122.350 122.820 -0.686 0.000 2.539 436 A HA 0.618 4.938 4.320 0.001 0.000 0.296 436 A C 0.987 177.928 177.584 -1.071 0.000 1.073 436 A CA -0.539 51.087 52.037 -0.684 0.000 0.700 436 A CB 1.449 20.249 19.000 -0.334 0.000 1.296 436 A HN 0.417 nan 8.150 nan 0.000 0.405 437 G N 0.053 108.450 108.800 -0.671 0.000 2.511 437 G HA2 0.279 4.239 3.960 0.001 0.000 0.217 437 G HA3 0.279 4.239 3.960 0.001 0.000 0.217 437 G C 0.305 174.993 174.900 -0.352 0.000 1.133 437 G CA 0.780 45.664 45.100 -0.359 0.000 0.792 437 G HN 0.592 nan 8.290 nan 0.000 0.539 438 I N 0.431 120.725 120.570 -0.460 0.000 2.439 438 I HA 0.358 4.529 4.170 0.001 0.000 0.283 438 I C -1.088 174.503 176.117 -0.877 0.000 1.023 438 I CA -0.724 60.170 61.300 -0.675 0.000 1.100 438 I CB 2.221 39.764 38.000 -0.762 0.000 1.238 438 I HN -0.192 nan 8.210 nan 0.000 0.445 439 C N 5.884 124.689 119.300 -0.825 0.000 2.431 439 C HA 0.556 5.016 4.460 0.001 0.000 0.321 439 C C -0.868 173.787 174.990 -0.557 0.000 1.202 439 C CA -0.553 58.120 59.018 -0.576 0.000 1.398 439 C CB 1.646 29.206 27.740 -0.301 0.000 2.047 439 C HN 0.679 nan 8.230 nan 0.000 0.465 440 W N 3.508 124.650 121.300 -0.263 0.000 2.587 440 W HA 0.636 5.297 4.660 0.001 0.000 0.324 440 W C -0.681 175.790 176.519 -0.080 0.000 1.040 440 W CA -1.009 56.213 57.345 -0.205 0.000 1.222 440 W CB 1.231 30.489 29.460 -0.337 0.000 1.381 440 W HN 0.436 nan 8.180 nan 0.000 0.483 441 I N 4.864 125.529 120.570 0.158 0.000 2.355 441 I HA 0.131 4.302 4.170 0.001 0.000 0.288 441 I C 0.149 176.326 176.117 0.100 0.000 0.999 441 I CA -0.499 60.856 61.300 0.092 0.000 1.163 441 I CB 0.932 38.921 38.000 -0.019 0.000 1.316 441 I HN 0.407 nan 8.210 nan 0.000 0.454 442 N N 2.229 120.998 118.700 0.114 0.000 2.741 442 N HA -0.179 4.561 4.740 0.001 0.000 0.250 442 N C -0.209 175.350 175.510 0.082 0.000 1.115 442 N CA 1.368 54.473 53.050 0.092 0.000 0.724 442 N CB -0.881 37.642 38.487 0.059 0.000 1.090 442 N HN 0.807 nan 8.380 nan 0.000 0.558 443 T N -2.113 112.504 114.554 0.106 0.000 2.693 443 T HA 0.572 4.922 4.350 0.001 0.000 0.304 443 T C -2.224 172.479 174.700 0.005 0.000 1.471 443 T CA -0.545 61.570 62.100 0.025 0.000 0.993 443 T CB 1.474 70.329 68.868 -0.021 0.000 1.554 443 T HN 0.252 nan 8.240 nan 0.000 0.496 444 W N -0.028 120.957 121.300 -0.524 0.000 3.363 444 W HA 0.438 5.099 4.660 0.001 0.000 0.306 444 W C 0.674 176.425 176.519 -1.279 0.000 1.253 444 W CA 0.253 56.980 57.345 -1.030 0.000 1.195 444 W CB 1.141 30.273 29.460 -0.546 0.000 1.366 444 W HN 1.397 nan 8.180 nan 0.000 0.551 445 G N 2.073 109.586 108.800 -2.145 0.000 2.284 445 G HA2 -0.319 3.642 3.960 0.001 0.000 0.247 445 G HA3 -0.319 3.642 3.960 0.001 0.000 0.247 445 G C 0.220 174.882 174.900 -0.398 0.000 1.012 445 G CA 0.524 45.093 45.100 -0.885 0.000 0.618 445 G HN 0.522 nan 8.290 nan 0.000 0.521 446 E N 0.987 120.966 120.200 -0.367 0.000 2.376 446 E HA 0.467 4.817 4.350 0.001 0.000 0.266 446 E C -0.195 176.533 176.600 0.213 0.000 1.009 446 E CA 0.511 56.890 56.400 -0.035 0.000 0.902 446 E CB 0.354 30.032 29.700 -0.036 0.000 0.972 446 E HN 0.130 nan 8.360 nan 0.000 0.439 447 S N 5.510 121.301 115.700 0.151 0.000 2.112 447 S HA 0.320 4.791 4.470 0.001 0.000 0.151 447 S C -2.529 172.066 174.600 -0.008 0.000 1.723 447 S CA -1.417 56.870 58.200 0.145 0.000 1.263 447 S CB 0.406 63.774 63.200 0.279 0.000 1.194 447 S HN 0.416 nan 8.310 nan 0.000 0.419 448 P HA 0.158 nan 4.420 nan 0.000 0.267 448 P C 0.791 177.887 177.300 -0.340 0.000 1.200 448 P CA -0.035 62.967 63.100 -0.164 0.000 0.772 448 P CB 0.553 32.167 31.700 -0.144 0.000 0.855 449 A N 2.739 125.283 122.820 -0.460 0.000 1.986 449 A HA -0.243 4.078 4.320 0.001 0.000 0.220 449 A C 1.652 178.591 177.584 -1.074 0.000 1.171 449 A CA 1.788 53.354 52.037 -0.785 0.000 0.640 449 A CB -0.898 17.613 19.000 -0.814 0.000 0.811 449 A HN 0.628 nan 8.150 nan 0.000 0.451 450 E N -1.281 118.414 120.200 -0.842 0.000 2.427 450 E HA 0.116 4.466 4.350 0.001 0.000 0.196 450 E C 0.806 177.237 176.600 -0.282 0.000 1.028 450 E CA 0.195 56.242 56.400 -0.587 0.000 0.864 450 E CB -0.060 29.454 29.700 -0.310 0.000 0.813 450 E HN 0.700 nan 8.360 nan 0.000 0.514 451 M N 2.346 121.782 119.600 -0.274 0.000 2.080 451 M HA 0.260 4.740 4.480 0.001 0.000 0.350 451 M C -2.531 173.668 176.300 -0.169 0.000 1.173 451 M CA -2.571 52.621 55.300 -0.179 0.000 1.052 451 M CB 0.964 33.468 32.600 -0.159 0.000 1.577 451 M HN -0.247 nan 8.290 nan 0.000 0.455 452 P HA 0.146 nan 4.420 nan 0.000 0.271 452 P C -1.227 176.013 177.300 -0.100 0.000 1.220 452 P CA -0.224 62.829 63.100 -0.079 0.000 0.768 452 P CB 0.466 32.144 31.700 -0.038 0.000 0.848 453 V N 0.641 120.506 119.914 -0.081 0.000 2.735 453 V HA 1.039 5.159 4.120 0.001 0.000 0.310 453 V C 0.002 176.082 176.094 -0.023 0.000 1.061 453 V CA -0.451 61.803 62.300 -0.077 0.000 0.913 453 V CB 1.620 33.408 31.823 -0.059 0.000 1.005 453 V HN 0.887 nan 8.190 nan 0.000 0.428 454 G N 1.406 110.187 108.800 -0.032 0.000 2.313 454 G HA2 0.612 4.573 3.960 0.001 0.000 0.296 454 G HA3 0.612 4.573 3.960 0.001 0.000 0.296 454 G C -0.505 174.408 174.900 0.022 0.000 1.356 454 G CA -0.181 44.924 45.100 0.008 0.000 0.833 454 G HN 1.445 nan 8.290 nan 0.000 0.552 455 G N -1.270 107.570 108.800 0.066 0.000 2.389 455 G HA2 0.589 4.550 3.960 0.001 0.000 0.328 455 G HA3 0.589 4.550 3.960 0.001 0.000 0.328 455 G C -0.980 174.062 174.900 0.236 0.000 1.133 455 G CA -0.449 44.720 45.100 0.115 0.000 0.891 455 G HN 0.441 nan 8.290 nan 0.000 0.485 456 Y N 0.844 121.142 120.300 -0.003 0.000 2.298 456 Y HA 0.341 4.891 4.550 0.001 0.000 0.329 456 Y C 1.449 177.364 175.900 0.026 0.000 1.293 456 Y CA -0.651 57.450 58.100 0.003 0.000 1.388 456 Y CB 1.075 39.535 38.460 -0.000 0.000 1.309 456 Y HN 0.884 nan 8.280 nan 0.000 0.544 457 K N -0.554 119.919 120.400 0.121 0.000 1.844 457 K HA -0.330 3.991 4.320 0.001 0.000 0.160 457 K C 0.609 177.252 176.600 0.072 0.000 1.448 457 K CA 1.862 58.194 56.287 0.075 0.000 0.446 457 K CB -0.873 31.688 32.500 0.100 0.000 0.635 457 K HN 0.755 nan 8.250 nan 0.000 0.848 458 Q N 0.426 120.268 119.800 0.070 0.000 2.282 458 Q HA 0.134 4.475 4.340 0.001 0.000 0.205 458 Q C 0.556 176.650 176.000 0.158 0.000 0.915 458 Q CA 0.316 56.159 55.803 0.066 0.000 0.949 458 Q CB 0.421 29.148 28.738 -0.019 0.000 1.035 458 Q HN 0.312 nan 8.270 nan 0.000 0.484 459 S N -0.172 115.642 115.700 0.190 0.000 2.556 459 S HA 0.267 4.738 4.470 0.001 0.000 0.216 459 S C 0.447 175.120 174.600 0.121 0.000 0.970 459 S CA 0.297 58.612 58.200 0.192 0.000 0.912 459 S CB 0.845 64.155 63.200 0.183 0.000 0.790 459 S HN 0.530 nan 8.310 nan 0.000 0.504 460 G N 0.100 108.963 108.800 0.105 0.000 2.338 460 G HA2 0.442 4.403 3.960 0.001 0.000 0.295 460 G HA3 0.442 4.403 3.960 0.001 0.000 0.295 460 G C -2.052 172.880 174.900 0.053 0.000 1.461 460 G CA -0.579 44.569 45.100 0.080 0.000 0.817 460 G HN 0.041 nan 8.290 nan 0.000 0.556 461 V N 0.571 120.509 119.914 0.039 0.000 2.638 461 V HA 0.901 5.021 4.120 0.001 0.000 0.306 461 V C 0.943 177.032 176.094 -0.008 0.000 1.052 461 V CA 0.794 63.099 62.300 0.009 0.000 0.885 461 V CB 0.909 32.738 31.823 0.011 0.000 0.999 461 V HN 2.698 nan 8.190 nan 0.000 0.424 462 G N 4.430 113.200 108.800 -0.050 0.000 2.782 462 G HA2 -0.070 3.890 3.960 0.001 0.000 0.228 462 G HA3 -0.070 3.890 3.960 0.001 0.000 0.228 462 G C -0.847 174.011 174.900 -0.070 0.000 1.372 462 G CA -0.515 44.523 45.100 -0.104 0.000 0.862 462 G HN 0.708 nan 8.290 nan 0.000 0.547 463 R N -0.059 120.386 120.500 -0.092 0.000 2.836 463 R HA 0.665 5.006 4.340 0.001 0.000 0.269 463 R C -0.394 175.919 176.300 0.021 0.000 1.010 463 R CA -0.754 55.324 56.100 -0.037 0.000 0.930 463 R CB 1.598 31.860 30.300 -0.064 0.000 1.218 463 R HN 0.764 nan 8.270 nan 0.000 0.473 464 E N 1.120 121.354 120.200 0.057 0.000 2.299 464 E HA 0.409 4.759 4.350 0.001 0.000 0.265 464 E C -0.750 175.863 176.600 0.021 0.000 0.911 464 E CA -0.894 55.568 56.400 0.103 0.000 0.789 464 E CB 1.445 31.261 29.700 0.193 0.000 1.246 464 E HN 0.436 nan 8.360 nan 0.000 0.427 465 N N -0.079 118.655 118.700 0.056 0.000 6.259 465 N HA -0.181 4.560 4.740 0.001 0.000 0.399 465 N C -0.051 175.511 175.510 0.086 0.000 1.019 465 N CA 1.339 54.377 53.050 -0.020 0.000 2.057 465 N CB -0.839 37.398 38.487 -0.416 0.000 0.704 465 N HN 0.960 nan 8.380 nan 0.000 0.552 466 G N -1.543 107.264 108.800 0.011 0.000 2.814 466 G HA2 -0.180 3.781 3.960 0.001 0.000 0.677 466 G HA3 -0.180 3.781 3.960 0.001 0.000 0.677 466 G C 0.997 176.114 174.900 0.360 0.000 1.429 466 G CA -0.017 45.162 45.100 0.131 0.000 0.868 466 G HN 0.631 nan 8.290 nan 0.000 0.553 467 L N -0.062 121.331 121.223 0.283 0.000 2.042 467 L HA -0.121 4.219 4.340 0.001 0.000 0.210 467 L C 3.306 180.317 176.870 0.234 0.000 1.076 467 L CA 2.362 57.345 54.840 0.239 0.000 0.749 467 L CB -0.862 41.282 42.059 0.141 0.000 0.893 467 L HN 0.874 nan 8.230 nan 0.000 0.432 468 T N -0.980 113.692 114.554 0.196 0.000 2.737 468 T HA -0.229 4.122 4.350 0.001 0.000 0.269 468 T C 1.807 176.684 174.700 0.295 0.000 1.040 468 T CA 2.289 64.521 62.100 0.220 0.000 1.142 468 T CB -0.146 68.802 68.868 0.133 0.000 0.861 468 T HN 0.374 nan 8.240 nan 0.000 0.456 469 T N 1.885 116.585 114.554 0.243 0.000 2.821 469 T HA 0.007 4.358 4.350 0.001 0.000 0.267 469 T C 1.760 176.602 174.700 0.237 0.000 1.046 469 T CA 1.117 63.350 62.100 0.222 0.000 1.139 469 T CB -0.412 68.593 68.868 0.229 0.000 0.871 469 T HN 0.223 nan 8.240 nan 0.000 0.454 470 L N 1.636 122.972 121.223 0.188 0.000 2.042 470 L HA 0.031 4.372 4.340 0.001 0.000 0.210 470 L C 2.591 179.540 176.870 0.131 0.000 1.076 470 L CA 1.881 56.768 54.840 0.079 0.000 0.749 470 L CB -1.042 41.085 42.059 0.114 0.000 0.893 470 L HN 0.224 nan 8.230 nan 0.000 0.432 471 A N -1.372 121.529 122.820 0.136 0.000 1.933 471 A HA -0.257 4.064 4.320 0.001 0.000 0.218 471 A C 1.987 179.541 177.584 -0.050 0.000 1.175 471 A CA 1.864 53.922 52.037 0.035 0.000 0.628 471 A CB -1.062 17.948 19.000 0.016 0.000 0.814 471 A HN 0.683 nan 8.150 nan 0.000 0.444 472 H N -3.052 116.024 119.070 0.010 0.000 2.556 472 H HA 0.060 4.617 4.556 0.001 0.000 0.268 472 H C 0.480 175.695 175.328 -0.189 0.000 0.996 472 H CA 0.854 56.856 56.048 -0.078 0.000 1.157 472 H CB -0.164 29.536 29.762 -0.104 0.000 1.355 472 H HN 0.623 nan 8.280 nan 0.000 0.597 473 Y N 0.390 120.728 120.300 0.063 0.000 2.493 473 Y HA 0.096 4.647 4.550 0.001 0.000 0.275 473 Y C 0.946 176.854 175.900 0.013 0.000 1.183 473 Y CA -0.141 57.977 58.100 0.031 0.000 1.258 473 Y CB 0.247 38.706 38.460 -0.002 0.000 1.108 473 Y HN 0.090 nan 8.280 nan 0.000 0.521 474 T N -1.562 113.043 114.554 0.086 0.000 2.942 474 T HA 0.744 5.095 4.350 0.001 0.000 0.289 474 T C -0.395 174.301 174.700 -0.007 0.000 1.044 474 T CA -1.160 60.963 62.100 0.039 0.000 1.023 474 T CB 2.099 70.977 68.868 0.016 0.000 1.123 474 T HN 0.192 nan 8.240 nan 0.000 0.512 475 R N 0.745 121.243 120.500 -0.003 0.000 2.589 475 R HA 0.715 5.056 4.340 0.001 0.000 0.293 475 R C -0.722 175.563 176.300 -0.025 0.000 0.963 475 R CA -0.947 55.142 56.100 -0.019 0.000 0.905 475 R CB 0.988 31.286 30.300 -0.003 0.000 1.144 475 R HN 0.582 nan 8.270 nan 0.000 0.459 476 I N 2.320 122.867 120.570 -0.038 0.000 2.352 476 I HA 0.160 4.330 4.170 0.001 0.000 0.290 476 I C 0.181 176.275 176.117 -0.038 0.000 1.036 476 I CA -0.185 61.092 61.300 -0.038 0.000 1.336 476 I CB 0.899 38.871 38.000 -0.048 0.000 1.407 476 I HN 0.522 nan 8.210 nan 0.000 0.497 477 K N 5.522 125.898 120.400 -0.040 0.000 2.235 477 K HA 0.456 4.777 4.320 0.001 0.000 0.266 477 K C -0.869 175.671 176.600 -0.099 0.000 0.980 477 K CA -0.408 55.841 56.287 -0.063 0.000 0.849 477 K CB 1.218 33.684 32.500 -0.057 0.000 1.098 477 K HN 0.538 nan 8.250 nan 0.000 0.445 478 S N 2.507 118.137 115.700 -0.118 0.000 2.442 478 S HA 0.333 4.804 4.470 0.001 0.000 0.297 478 S C -0.812 173.641 174.600 -0.246 0.000 1.131 478 S CA -0.760 57.342 58.200 -0.164 0.000 1.092 478 S CB 1.469 64.601 63.200 -0.114 0.000 0.998 478 S HN 0.409 nan 8.310 nan 0.000 0.478 479 V N 4.245 123.906 119.914 -0.421 0.000 2.350 479 V HA 0.366 4.487 4.120 0.001 0.000 0.285 479 V C -0.012 175.781 176.094 -0.502 0.000 1.014 479 V CA -0.652 61.318 62.300 -0.550 0.000 0.831 479 V CB 1.286 32.505 31.823 -1.007 0.000 1.000 479 V HN 0.838 nan 8.190 nan 0.000 0.433 480 Q N 4.045 123.653 119.800 -0.320 0.000 2.322 480 Q HA 0.472 4.813 4.340 0.001 0.000 0.256 480 Q C -1.108 174.726 176.000 -0.276 0.000 0.960 480 Q CA -0.458 55.184 55.803 -0.267 0.000 0.934 480 Q CB 1.663 30.311 28.738 -0.151 0.000 1.200 480 Q HN 0.636 nan 8.270 nan 0.000 0.435 481 V N 4.061 123.739 119.914 -0.394 0.000 2.368 481 V HA 0.161 4.282 4.120 0.001 0.000 0.266 481 V C -0.074 175.922 176.094 -0.163 0.000 1.045 481 V CA -0.639 61.471 62.300 -0.316 0.000 0.899 481 V CB 0.900 32.419 31.823 -0.507 0.000 1.006 481 V HN 0.721 nan 8.190 nan 0.000 0.470 482 E N 4.302 124.461 120.200 -0.068 0.000 2.152 482 E HA 0.359 4.710 4.350 0.001 0.000 0.285 482 E C 0.194 176.816 176.600 0.038 0.000 1.043 482 E CA -0.089 56.315 56.400 0.006 0.000 0.839 482 E CB 1.098 30.816 29.700 0.031 0.000 1.069 482 E HN 0.622 nan 8.360 nan 0.000 0.399 483 L N 3.109 124.376 121.223 0.075 0.000 2.640 483 L HA 0.439 4.780 4.340 0.001 0.000 0.230 483 L C 1.075 177.987 176.870 0.070 0.000 1.123 483 L CA 0.064 54.956 54.840 0.086 0.000 0.900 483 L CB 0.365 42.501 42.059 0.128 0.000 1.146 483 L HN 0.547 nan 8.230 nan 0.000 0.484 484 G N -1.496 107.345 108.800 0.069 0.000 3.217 484 G HA2 0.305 4.266 3.960 0.001 0.000 0.213 484 G HA3 0.305 4.266 3.960 0.001 0.000 0.213 484 G C -1.146 173.797 174.900 0.071 0.000 1.294 484 G CA -0.478 44.659 45.100 0.061 0.000 0.987 484 G HN -0.157 nan 8.290 nan 0.000 0.584 485 D N -0.702 119.736 120.400 0.063 0.000 2.357 485 D HA 0.280 4.921 4.640 0.001 0.000 0.242 485 D C -1.153 175.221 176.300 0.123 0.000 1.153 485 D CA 0.446 54.492 54.000 0.078 0.000 0.918 485 D CB 1.523 42.349 40.800 0.044 0.000 1.181 485 D HN 0.170 nan 8.370 nan 0.000 0.435 486 Y N 0.222 120.525 120.300 0.005 0.000 2.335 486 Y HA 0.457 5.008 4.550 0.001 0.000 0.338 486 Y C -0.764 175.138 175.900 0.003 0.000 0.977 486 Y CA -1.056 57.045 58.100 0.003 0.000 1.114 486 Y CB 1.178 39.641 38.460 0.006 0.000 1.182 486 Y HN 0.346 nan 8.280 nan 0.000 0.463 487 A N 4.567 127.003 122.820 -0.640 0.000 2.260 487 A HA 0.575 4.896 4.320 0.001 0.000 0.308 487 A C -0.479 176.711 177.584 -0.657 0.000 1.254 487 A CA -0.390 51.360 52.037 -0.477 0.000 0.874 487 A CB 0.479 19.294 19.000 -0.309 0.000 1.153 487 A HN 0.654 nan 8.150 nan 0.000 0.527 488 S N 1.464 116.971 115.700 -0.321 0.000 2.501 488 S HA 0.407 4.878 4.470 0.001 0.000 0.301 488 S C 0.958 175.448 174.600 -0.184 0.000 1.096 488 S CA -0.100 58.002 58.200 -0.163 0.000 1.063 488 S CB 1.336 64.582 63.200 0.076 0.000 1.042 488 S HN 1.562 nan 8.310 nan 0.000 0.494 489 V N 2.603 122.320 119.914 -0.330 0.000 3.306 489 V HA 0.370 4.490 4.120 0.001 0.000 0.264 489 V C 0.265 176.111 176.094 -0.413 0.000 1.149 489 V CA 0.503 62.537 62.300 -0.444 0.000 1.143 489 V CB -1.220 30.241 31.823 -0.603 0.000 0.767 489 V HN 0.605 nan 8.190 nan 0.000 0.476 490 F N 0.000 119.944 119.950 -0.009 0.000 2.286 490 F HA 0.000 4.528 4.527 0.001 0.000 0.279 490 F CA 0.000 58.001 58.000 0.001 0.000 1.383 490 F CB 0.000 39.007 39.000 0.011 0.000 1.145 490 F HN 0.000 nan 8.300 nan 0.000 0.574