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 3ic9_1_A DATA FIRST_RESID 2 DATA SEQUENCE KVINVDVAII GTGTAGXGAY RAAKKHTDKV VLIEGGAYGT TCARVGCXPS DATA SEQUENCE KLLIAAADAS YHASQTDLFG IQVDRISVNG KAVXKRIQTE RDRFVGFVVE DATA SEQUENCE SVESFDEQDK IRGFAKFLDE HTLQVDDHSQ VIAKRIVIAT GSRPNYPEFL DATA SEQUENCE AAAGSRLLTN DNLFELNDLP KSVAVFGPGV IGLELGQALS RLGVIVKVFG DATA SEQUENCE RSGSVANLQD EEXKRYAEKT FNEEFYFDAK ARVISTIEKE DAVEVIYFDK DATA SEQUENCE SGQKTTESFQ YVLAATGRKA NVDKLGLENT SIELDKKNSP LFDELTLQTS DATA SEQUENCE VDHIFVAGDA NNTLTLLHEA ADDGKVAGTN AGAYPVIAQG QRRAPLSVVF DATA SEQUENCE TEPQVASVGL SLRQIEDLYA DQDAANYVVG QVSFEGQGRS RVXGKNKGLL DATA SEQUENCE NVYADRTSGE FLGAEXFGPA AEHIGHLLAW ARQQQXTVQA XLTXPFYHPV DATA SEQUENCE IEEGLRTALR DAQQKLAIEK HDXNEFIXTH 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.622 176.600 0.037 0.000 0.988 2 K CA 0.000 56.310 56.287 0.038 0.000 0.838 2 K CB 0.000 32.522 32.500 0.036 0.000 1.064 3 V N 3.928 123.857 119.914 0.026 0.000 2.540 3 V HA 0.680 4.800 4.120 -0.000 0.000 0.302 3 V C -0.573 175.532 176.094 0.018 0.000 1.035 3 V CA -0.571 61.741 62.300 0.021 0.000 0.873 3 V CB 1.240 33.072 31.823 0.015 0.000 0.992 3 V HN 0.755 nan 8.190 nan 0.000 0.428 4 I N 3.226 123.807 120.570 0.018 0.000 2.686 4 I HA 0.516 4.686 4.170 -0.000 0.000 0.295 4 I C -0.471 175.653 176.117 0.013 0.000 1.114 4 I CA -0.722 60.587 61.300 0.016 0.000 1.038 4 I CB 2.216 40.228 38.000 0.019 0.000 1.238 4 I HN 0.438 nan 8.210 nan 0.000 0.420 5 N N 4.117 122.824 118.700 0.011 0.000 2.421 5 N HA 0.603 5.343 4.740 -0.000 0.000 0.285 5 N C -0.930 174.588 175.510 0.014 0.000 1.027 5 N CA -0.285 52.770 53.050 0.009 0.000 0.918 5 N CB 2.740 41.229 38.487 0.002 0.000 1.152 5 N HN 0.494 nan 8.380 nan 0.000 0.485 6 V N -0.743 119.181 119.914 0.018 0.000 3.040 6 V HA 0.417 4.537 4.120 -0.000 0.000 0.312 6 V C 0.354 176.462 176.094 0.025 0.000 1.115 6 V CA -0.779 61.535 62.300 0.023 0.000 0.998 6 V CB 2.236 34.077 31.823 0.030 0.000 1.042 6 V HN 0.371 nan 8.190 nan 0.000 0.433 7 D N 0.953 121.369 120.400 0.026 0.000 2.183 7 D HA 0.101 4.741 4.640 -0.000 0.000 0.203 7 D C 0.437 176.759 176.300 0.038 0.000 0.969 7 D CA 1.555 55.573 54.000 0.030 0.000 0.842 7 D CB 0.462 41.282 40.800 0.033 0.000 0.957 7 D HN 0.444 nan 8.370 nan 0.000 0.484 8 V N 0.324 120.261 119.914 0.039 0.000 2.612 8 V HA 0.612 4.732 4.120 -0.000 0.000 0.301 8 V C -0.692 175.431 176.094 0.049 0.000 1.059 8 V CA -1.128 61.199 62.300 0.045 0.000 0.886 8 V CB 1.886 33.724 31.823 0.024 0.000 1.007 8 V HN 0.055 nan 8.190 nan 0.000 0.426 9 A N 5.828 128.678 122.820 0.049 0.000 2.318 9 A HA 0.940 5.260 4.320 -0.000 0.000 0.324 9 A C -0.812 176.793 177.584 0.034 0.000 1.170 9 A CA -0.484 51.571 52.037 0.029 0.000 0.810 9 A CB 0.801 19.798 19.000 -0.005 0.000 1.198 9 A HN 0.787 nan 8.150 nan 0.000 0.484 10 I N 3.234 123.823 120.570 0.031 0.000 2.382 10 I HA 0.283 4.453 4.170 -0.000 0.000 0.286 10 I C -0.614 175.514 176.117 0.019 0.000 1.002 10 I CA -0.150 61.173 61.300 0.038 0.000 1.135 10 I CB 1.514 39.546 38.000 0.055 0.000 1.288 10 I HN 0.504 nan 8.210 nan 0.000 0.448 11 I N 6.424 127.006 120.570 0.020 0.000 2.308 11 I HA 0.515 4.685 4.170 -0.000 0.000 0.293 11 I C 0.684 176.819 176.117 0.029 0.000 1.078 11 I CA -0.170 61.136 61.300 0.010 0.000 1.292 11 I CB 0.410 38.415 38.000 0.008 0.000 1.423 11 I HN 0.830 nan 8.210 nan 0.000 0.493 12 G N 3.415 112.223 108.800 0.015 0.000 3.355 12 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 12 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 12 G C -0.234 174.692 174.900 0.044 0.000 1.097 12 G CA -0.968 44.145 45.100 0.021 0.000 0.881 12 G HN 0.530 nan 8.290 nan 0.000 0.550 13 T N 2.617 117.203 114.554 0.054 0.000 3.213 13 T HA 0.590 4.940 4.350 -0.000 0.000 0.240 13 T C 1.315 176.097 174.700 0.137 0.000 1.033 13 T CA 0.611 62.789 62.100 0.130 0.000 1.087 13 T CB 0.541 69.565 68.868 0.260 0.000 1.119 13 T HN 1.175 nan 8.240 nan 0.000 0.571 14 G N 0.808 109.666 108.800 0.097 0.000 2.849 14 G HA2 0.306 4.266 3.960 -0.000 0.000 0.174 14 G HA3 0.306 4.266 3.960 -0.000 0.000 0.174 14 G C 1.119 176.078 174.900 0.098 0.000 1.370 14 G CA -0.271 44.883 45.100 0.090 0.000 1.040 14 G HN 0.246 nan 8.290 nan 0.000 0.582 15 T N 1.095 115.696 114.554 0.078 0.000 2.701 15 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 15 T C 2.755 177.500 174.700 0.074 0.000 1.040 15 T CA 1.982 64.129 62.100 0.077 0.000 1.147 15 T CB -0.579 68.325 68.868 0.061 0.000 0.865 15 T HN 0.540 nan 8.240 nan 0.000 0.426 16 A N 1.565 124.418 122.820 0.056 0.000 1.933 16 A HA 0.261 4.581 4.320 -0.000 0.000 0.218 16 A C 1.685 179.305 177.584 0.059 0.000 1.175 16 A CA 1.363 53.427 52.037 0.045 0.000 0.628 16 A CB -1.284 17.731 19.000 0.025 0.000 0.814 16 A HN 0.527 nan 8.150 nan 0.000 0.444 20 A N 0.272 123.125 122.820 0.054 0.000 1.908 20 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 20 A C 2.076 179.675 177.584 0.026 0.000 1.181 20 A CA 2.284 54.332 52.037 0.019 0.000 0.627 20 A CB -0.808 18.199 19.000 0.012 0.000 0.818 20 A HN 0.836 nan 8.150 nan 0.000 0.445 21 Y N 0.497 120.749 120.300 -0.079 0.000 2.097 21 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 21 Y C 2.510 178.313 175.900 -0.161 0.000 1.152 21 Y CA 2.300 60.309 58.100 -0.152 0.000 1.136 21 Y CB -0.481 37.823 38.460 -0.260 0.000 0.975 21 Y HN 0.277 nan 8.280 nan 0.000 0.498 22 R N -0.064 120.322 120.500 -0.189 0.000 2.083 22 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 22 R C 2.575 178.771 176.300 -0.172 0.000 1.137 22 R CA 1.571 57.535 56.100 -0.226 0.000 0.951 22 R CB -0.764 29.513 30.300 -0.039 0.000 0.851 22 R HN 0.480 nan 8.270 nan 0.000 0.434 23 A N 0.724 123.496 122.820 -0.079 0.000 1.902 23 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 23 A C 2.327 179.928 177.584 0.029 0.000 1.181 23 A CA 1.656 53.683 52.037 -0.017 0.000 0.623 23 A CB -0.768 18.235 19.000 0.005 0.000 0.818 23 A HN 0.416 nan 8.150 nan 0.000 0.443 24 A N -0.523 122.272 122.820 -0.042 0.000 1.933 24 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 24 A C 2.004 179.555 177.584 -0.055 0.000 1.175 24 A CA 1.621 53.648 52.037 -0.017 0.000 0.628 24 A CB -0.318 18.643 19.000 -0.065 0.000 0.814 24 A HN 0.324 nan 8.150 nan 0.000 0.444 25 K N 0.163 120.415 120.400 -0.248 0.000 2.442 25 K HA -0.037 4.282 4.320 -0.000 0.000 0.198 25 K C 1.537 178.009 176.600 -0.213 0.000 1.042 25 K CA 0.883 56.988 56.287 -0.304 0.000 0.958 25 K CB -0.141 32.013 32.500 -0.576 0.000 0.766 25 K HN 0.537 nan 8.250 nan 0.000 0.474 26 K N -0.408 119.866 120.400 -0.210 0.000 2.217 26 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 26 K C 1.437 177.787 176.600 -0.415 0.000 1.051 26 K CA 1.093 57.188 56.287 -0.320 0.000 0.952 26 K CB -0.018 32.245 32.500 -0.395 0.000 0.736 26 K HN 0.295 nan 8.250 nan 0.000 0.453 27 H N -1.715 117.307 119.070 -0.079 0.000 2.604 27 H HA 0.114 4.670 4.556 -0.000 0.000 0.273 27 H C 0.191 175.494 175.328 -0.041 0.000 0.971 27 H CA 0.537 56.556 56.048 -0.049 0.000 1.249 27 H CB 1.094 30.834 29.762 -0.037 0.000 1.449 27 H HN -0.076 nan 8.280 nan 0.000 0.512 28 T N -0.396 114.183 114.554 0.041 0.000 2.942 28 T HA 0.100 4.450 4.350 -0.000 0.000 0.327 28 T C -0.470 174.212 174.700 -0.029 0.000 1.360 28 T CA -0.581 61.527 62.100 0.014 0.000 1.055 28 T CB 1.329 70.218 68.868 0.035 0.000 1.261 28 T HN 0.253 nan 8.240 nan 0.000 0.485 29 D N 1.912 122.299 120.400 -0.022 0.000 2.305 29 D HA 0.093 4.733 4.640 -0.000 0.000 0.206 29 D C 0.409 176.705 176.300 -0.006 0.000 0.974 29 D CA 0.385 54.368 54.000 -0.028 0.000 0.871 29 D CB 0.026 40.816 40.800 -0.017 0.000 0.947 29 D HN 0.204 nan 8.370 nan 0.000 0.516 30 K N 0.744 121.148 120.400 0.006 0.000 2.142 30 K HA 0.365 4.685 4.320 -0.000 0.000 0.250 30 K C -0.865 175.754 176.600 0.032 0.000 1.148 30 K CA -0.402 55.898 56.287 0.021 0.000 1.040 30 K CB 0.827 33.339 32.500 0.019 0.000 1.569 30 K HN 0.093 nan 8.250 nan 0.000 0.361 31 V N 2.193 122.139 119.914 0.054 0.000 2.733 31 V HA 0.708 4.828 4.120 -0.000 0.000 0.306 31 V C -1.070 175.109 176.094 0.142 0.000 1.084 31 V CA -0.871 61.483 62.300 0.090 0.000 0.905 31 V CB 1.922 33.787 31.823 0.070 0.000 1.010 31 V HN 0.240 nan 8.190 nan 0.000 0.424 32 V N 4.497 124.466 119.914 0.091 0.000 2.815 32 V HA 0.781 4.901 4.120 -0.000 0.000 0.314 32 V C -0.964 175.137 176.094 0.011 0.000 1.064 32 V CA -0.925 61.401 62.300 0.043 0.000 0.952 32 V CB 1.749 33.586 31.823 0.022 0.000 1.020 32 V HN 0.784 nan 8.190 nan 0.000 0.439 33 L N 4.217 125.401 121.223 -0.065 0.000 2.287 33 L HA 0.640 4.980 4.340 -0.000 0.000 0.287 33 L C -0.296 176.572 176.870 -0.004 0.000 1.022 33 L CA -0.638 54.166 54.840 -0.060 0.000 0.814 33 L CB 0.989 42.946 42.059 -0.169 0.000 1.217 33 L HN 0.653 nan 8.230 nan 0.000 0.420 34 I N 3.166 123.735 120.570 -0.001 0.000 2.377 34 I HA 0.430 4.600 4.170 -0.000 0.000 0.293 34 I C -0.381 175.703 176.117 -0.054 0.000 0.987 34 I CA -0.685 60.604 61.300 -0.020 0.000 1.185 34 I CB 1.993 39.972 38.000 -0.035 0.000 1.341 34 I HN 0.489 nan 8.210 nan 0.000 0.455 35 E N 3.692 123.817 120.200 -0.126 0.000 2.265 35 E HA 0.439 4.789 4.350 -0.000 0.000 0.262 35 E C 0.262 176.571 176.600 -0.485 0.000 0.889 35 E CA -0.469 55.758 56.400 -0.288 0.000 0.789 35 E CB 1.779 31.229 29.700 -0.417 0.000 1.221 35 E HN 0.630 nan 8.360 nan 0.000 0.414 36 G N 2.486 110.855 108.800 -0.720 0.000 2.603 36 G HA2 0.268 4.228 3.960 -0.000 0.000 0.214 36 G HA3 0.268 4.228 3.960 -0.000 0.000 0.214 36 G C 0.613 174.872 174.900 -1.068 0.000 1.140 36 G CA 0.423 44.611 45.100 -1.519 0.000 0.800 36 G HN 0.561 nan 8.290 nan 0.000 0.533 37 G N -0.494 107.961 108.800 -0.574 0.000 3.122 37 G HA2 0.584 4.544 3.960 -0.000 0.000 0.180 37 G HA3 0.584 4.544 3.960 -0.000 0.000 0.180 37 G C -0.340 174.373 174.900 -0.311 0.000 1.279 37 G CA -0.005 44.934 45.100 -0.268 0.000 0.987 37 G HN 0.464 nan 8.290 nan 0.000 0.589 38 A N -1.125 121.587 122.820 -0.179 0.000 2.425 38 A HA 0.581 4.900 4.320 -0.000 0.000 0.249 38 A C -0.622 176.849 177.584 -0.189 0.000 1.084 38 A CA -0.283 51.661 52.037 -0.156 0.000 0.781 38 A CB -0.220 18.756 19.000 -0.040 0.000 1.019 38 A HN 0.465 nan 8.150 nan 0.000 0.490 39 Y N 0.348 120.629 120.300 -0.032 0.000 2.357 39 Y HA 0.404 4.953 4.550 -0.000 0.000 0.340 39 Y C 1.657 177.547 175.900 -0.015 0.000 1.260 39 Y CA 1.402 59.484 58.100 -0.029 0.000 1.425 39 Y CB 0.977 39.410 38.460 -0.046 0.000 1.326 39 Y HN 0.993 nan 8.280 nan 0.000 0.580 40 G N -0.543 108.365 108.800 0.181 0.000 2.813 40 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.194 40 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.194 40 G C 0.027 174.982 174.900 0.091 0.000 1.010 40 G CA 0.117 45.281 45.100 0.107 0.000 0.771 40 G HN 1.522 nan 8.290 nan 0.000 0.485 41 T N -2.749 111.859 114.554 0.090 0.000 0.541 41 T HA -0.124 4.226 4.350 -0.000 0.000 0.774 41 T C 0.846 175.577 174.700 0.053 0.000 0.992 41 T CA 1.365 63.507 62.100 0.071 0.000 4.077 41 T CB -1.399 67.510 68.868 0.069 0.000 2.303 41 T HN 1.136 nan 8.240 nan 0.000 0.398 42 T N 0.935 115.518 114.554 0.048 0.000 2.788 42 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 42 T C 2.477 177.197 174.700 0.034 0.000 1.044 42 T CA 1.755 63.882 62.100 0.046 0.000 1.139 42 T CB -0.603 68.295 68.868 0.050 0.000 0.867 42 T HN 0.967 nan 8.240 nan 0.000 0.454 43 C N 1.765 121.080 119.300 0.025 0.000 2.393 43 C HA -0.049 4.411 4.460 -0.000 0.000 0.276 43 C C 3.081 178.051 174.990 -0.033 0.000 1.215 43 C CA 1.102 60.118 59.018 -0.002 0.000 1.743 43 C CB -1.408 26.332 27.740 -0.000 0.000 2.044 43 C HN 0.585 nan 8.230 nan 0.000 0.464 44 A N 0.171 122.987 122.820 -0.007 0.000 1.897 44 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 44 A C 2.309 179.900 177.584 0.012 0.000 1.181 44 A CA 1.411 53.453 52.037 0.007 0.000 0.620 44 A CB -0.551 18.492 19.000 0.072 0.000 0.821 44 A HN 0.765 nan 8.150 nan 0.000 0.443 45 R N -0.931 119.581 120.500 0.020 0.000 2.062 45 R HA 0.002 4.342 4.340 -0.000 0.000 0.226 45 R C 1.034 177.339 176.300 0.008 0.000 1.125 45 R CA 1.802 57.916 56.100 0.023 0.000 0.966 45 R CB -0.118 30.207 30.300 0.042 0.000 0.861 45 R HN 0.621 nan 8.270 nan 0.000 0.433 46 V N -4.699 115.229 119.914 0.023 0.000 3.486 46 V HA 0.476 4.596 4.120 -0.000 0.000 0.335 46 V C 0.153 176.324 176.094 0.128 0.000 1.506 46 V CA -0.020 62.351 62.300 0.119 0.000 1.206 46 V CB 0.624 32.554 31.823 0.179 0.000 1.049 46 V HN 0.283 nan 8.190 nan 0.000 0.502 47 G N -0.099 108.701 108.800 0.000 0.000 3.244 47 G HA2 0.361 4.321 3.960 -0.000 0.000 0.197 47 G HA3 0.361 4.321 3.960 -0.000 0.000 0.197 47 G C 0.306 175.170 174.900 -0.060 0.000 1.531 47 G CA 0.268 45.382 45.100 0.024 0.000 0.747 47 G HN 0.452 nan 8.290 nan 0.000 0.763 51 S N 0.944 116.313 115.700 -0.551 0.000 2.368 51 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 51 S C 2.002 176.543 174.600 -0.099 0.000 1.029 51 S CA 1.288 59.431 58.200 -0.096 0.000 0.988 51 S CB -0.214 63.038 63.200 0.087 0.000 0.838 51 S HN -0.029 nan 8.310 nan 0.000 0.462 52 K N 1.597 121.881 120.400 -0.193 0.000 2.147 52 K HA 0.229 4.549 4.320 -0.000 0.000 0.205 52 K C 1.973 178.498 176.600 -0.126 0.000 1.049 52 K CA 0.976 57.132 56.287 -0.219 0.000 0.936 52 K CB -1.030 31.271 32.500 -0.332 0.000 0.722 52 K HN 0.449 nan 8.250 nan 0.000 0.446 53 L N -0.225 120.932 121.223 -0.110 0.000 2.046 53 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 53 L C 2.150 179.011 176.870 -0.016 0.000 1.077 53 L CA 0.677 55.488 54.840 -0.047 0.000 0.747 53 L CB -0.423 41.610 42.059 -0.043 0.000 0.896 53 L HN 0.116 nan 8.230 nan 0.000 0.432 54 L N -0.167 121.058 121.223 0.004 0.000 2.093 54 L HA -0.169 4.170 4.340 -0.000 0.000 0.208 54 L C 2.275 179.160 176.870 0.024 0.000 1.085 54 L CA 1.662 56.537 54.840 0.058 0.000 0.755 54 L CB -0.265 41.894 42.059 0.167 0.000 0.904 54 L HN 0.098 nan 8.230 nan 0.000 0.435 55 I N -0.597 119.977 120.570 0.006 0.000 2.226 55 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 55 I C 2.564 178.683 176.117 0.004 0.000 1.100 55 I CA 1.118 62.418 61.300 0.000 0.000 1.374 55 I CB -0.616 37.385 38.000 0.002 0.000 1.057 55 I HN 0.346 nan 8.210 nan 0.000 0.413 56 A N 0.769 123.588 122.820 -0.000 0.000 1.877 56 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 56 A C 2.563 180.160 177.584 0.021 0.000 1.186 56 A CA 1.805 53.852 52.037 0.017 0.000 0.620 56 A CB -0.880 18.128 19.000 0.014 0.000 0.822 56 A HN 0.415 nan 8.150 nan 0.000 0.443 57 A N -0.020 122.810 122.820 0.016 0.000 1.883 57 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 57 A C 2.536 180.127 177.584 0.012 0.000 1.186 57 A CA 2.361 54.409 52.037 0.018 0.000 0.624 57 A CB -1.145 17.867 19.000 0.020 0.000 0.822 57 A HN 1.108 nan 8.150 nan 0.000 0.444 58 A N 0.131 122.952 122.820 0.002 0.000 1.865 58 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 58 A C 1.790 179.356 177.584 -0.030 0.000 1.191 58 A CA 2.103 54.133 52.037 -0.012 0.000 0.623 58 A CB -0.796 18.183 19.000 -0.034 0.000 0.826 58 A HN 0.470 nan 8.150 nan 0.000 0.444 59 D N -0.010 120.356 120.400 -0.055 0.000 2.123 59 D HA -0.098 4.542 4.640 -0.000 0.000 0.196 59 D C 2.222 178.406 176.300 -0.193 0.000 0.992 59 D CA 1.700 55.590 54.000 -0.183 0.000 0.833 59 D CB -0.502 40.281 40.800 -0.029 0.000 0.954 59 D HN 0.444 nan 8.370 nan 0.000 0.455 60 A N 0.289 123.106 122.820 -0.005 0.000 1.902 60 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 60 A C 2.314 179.921 177.584 0.039 0.000 1.181 60 A CA 2.160 54.230 52.037 0.054 0.000 0.623 60 A CB -0.798 18.235 19.000 0.055 0.000 0.818 60 A HN 0.241 nan 8.150 nan 0.000 0.443 61 S N -1.944 113.774 115.700 0.030 0.000 2.356 61 S HA -0.206 4.263 4.470 -0.000 0.000 0.223 61 S C 1.949 176.592 174.600 0.072 0.000 1.032 61 S CA 1.758 59.989 58.200 0.050 0.000 1.005 61 S CB -0.550 62.683 63.200 0.054 0.000 0.867 61 S HN 0.651 nan 8.310 nan 0.000 0.449 62 Y N 1.543 121.795 120.300 -0.080 0.000 2.163 62 Y HA -0.072 4.478 4.550 -0.000 0.000 0.288 62 Y C 2.135 178.047 175.900 0.019 0.000 1.136 62 Y CA 2.216 60.282 58.100 -0.058 0.000 1.147 62 Y CB -1.002 37.386 38.460 -0.120 0.000 0.987 62 Y HN 0.533 nan 8.280 nan 0.000 0.509 63 H N -0.862 118.225 119.070 0.028 0.000 2.422 63 H HA -0.107 4.449 4.556 -0.000 0.000 0.298 63 H C 2.258 177.546 175.328 -0.067 0.000 1.098 63 H CA 0.638 56.655 56.048 -0.050 0.000 1.315 63 H CB -0.129 29.666 29.762 0.055 0.000 1.382 63 H HN 0.462 nan 8.280 nan 0.000 0.523 64 A N 0.706 123.567 122.820 0.068 0.000 2.024 64 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 64 A C 2.377 179.960 177.584 -0.001 0.000 1.164 64 A CA 1.668 53.727 52.037 0.037 0.000 0.643 64 A CB -0.497 18.525 19.000 0.036 0.000 0.806 64 A HN 0.516 nan 8.150 nan 0.000 0.451 65 S N -1.724 113.937 115.700 -0.065 0.000 2.593 65 S HA 0.053 4.523 4.470 -0.000 0.000 0.217 65 S C 1.018 175.547 174.600 -0.118 0.000 0.966 65 S CA 0.281 58.430 58.200 -0.085 0.000 0.914 65 S CB 0.074 63.221 63.200 -0.089 0.000 0.776 65 S HN 0.473 nan 8.310 nan 0.000 0.523 66 Q N 1.712 121.438 119.800 -0.125 0.000 2.175 66 Q HA 0.186 4.526 4.340 -0.000 0.000 0.225 66 Q C 1.232 177.278 176.000 0.076 0.000 0.837 66 Q CA 0.610 56.364 55.803 -0.081 0.000 1.032 66 Q CB 0.298 28.953 28.738 -0.138 0.000 1.137 66 Q HN 0.818 nan 8.270 nan 0.000 0.483 67 T N -3.226 111.389 114.554 0.101 0.000 3.067 67 T HA -0.026 4.324 4.350 -0.000 0.000 0.261 67 T C 1.058 175.868 174.700 0.183 0.000 1.110 67 T CA 0.558 62.790 62.100 0.221 0.000 1.113 67 T CB 0.174 69.121 68.868 0.132 0.000 0.917 67 T HN 0.038 nan 8.240 nan 0.000 0.499 68 D N 1.061 121.494 120.400 0.056 0.000 2.264 68 D HA -0.009 4.631 4.640 -0.000 0.000 0.208 68 D C 1.919 178.189 176.300 -0.050 0.000 0.966 68 D CA 0.519 54.528 54.000 0.015 0.000 0.864 68 D CB -0.044 40.754 40.800 -0.004 0.000 0.933 68 D HN 0.344 nan 8.370 nan 0.000 0.499 69 L N 0.010 121.126 121.223 -0.178 0.000 2.079 69 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 69 L C 1.644 178.290 176.870 -0.373 0.000 1.081 69 L CA 1.596 56.209 54.840 -0.378 0.000 0.752 69 L CB -0.512 41.132 42.059 -0.692 0.000 0.896 69 L HN -0.116 nan 8.230 nan 0.000 0.433 70 F N -0.295 119.649 119.950 -0.009 0.000 2.789 70 F HA 0.361 4.888 4.527 -0.000 0.000 0.300 70 F C 1.818 177.615 175.800 -0.006 0.000 1.132 70 F CA 0.470 58.465 58.000 -0.009 0.000 1.404 70 F CB -0.030 38.962 39.000 -0.014 0.000 1.114 70 F HN 0.178 nan 8.300 nan 0.000 0.584 71 G N 0.964 109.843 108.800 0.131 0.000 2.138 71 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.193 71 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.193 71 G C -0.255 174.691 174.900 0.077 0.000 0.998 71 G CA -0.500 44.648 45.100 0.080 0.000 0.668 71 G HN 0.196 nan 8.290 nan 0.000 0.516 72 I N 1.001 121.631 120.570 0.099 0.000 2.474 72 I HA 0.610 4.780 4.170 -0.000 0.000 0.294 72 I C 0.205 176.357 176.117 0.058 0.000 1.005 72 I CA -0.832 60.512 61.300 0.073 0.000 1.113 72 I CB 1.985 40.031 38.000 0.077 0.000 1.289 72 I HN 0.384 nan 8.210 nan 0.000 0.436 73 Q N 5.407 125.231 119.800 0.039 0.000 2.433 73 Q HA 0.882 5.222 4.340 -0.000 0.000 0.279 73 Q C -1.178 174.838 176.000 0.025 0.000 1.105 73 Q CA -1.070 54.751 55.803 0.030 0.000 0.815 73 Q CB 2.772 31.524 28.738 0.023 0.000 1.403 73 Q HN 0.482 nan 8.270 nan 0.000 0.435 74 V N -1.659 118.268 119.914 0.022 0.000 2.914 74 V HA 0.419 4.539 4.120 -0.000 0.000 0.314 74 V C -0.635 175.469 176.094 0.017 0.000 1.084 74 V CA -0.619 61.693 62.300 0.019 0.000 0.963 74 V CB 2.053 33.888 31.823 0.020 0.000 1.025 74 V HN 0.836 nan 8.190 nan 0.000 0.432 75 D N 1.067 121.477 120.400 0.016 0.000 2.137 75 D HA 0.199 4.839 4.640 -0.000 0.000 0.202 75 D C 0.859 177.169 176.300 0.017 0.000 0.970 75 D CA 1.391 55.400 54.000 0.015 0.000 0.837 75 D CB 0.200 41.008 40.800 0.014 0.000 0.981 75 D HN 0.690 nan 8.370 nan 0.000 0.475 76 R N -0.563 119.948 120.500 0.018 0.000 2.644 76 R HA 0.389 4.729 4.340 -0.000 0.000 0.257 76 R C -1.963 174.349 176.300 0.020 0.000 1.082 76 R CA -0.477 55.635 56.100 0.019 0.000 0.927 76 R CB 0.830 31.141 30.300 0.017 0.000 1.258 76 R HN -0.118 nan 8.270 nan 0.000 0.459 77 I N 1.899 122.483 120.570 0.024 0.000 2.418 77 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 77 I C -0.504 175.630 176.117 0.027 0.000 1.008 77 I CA -0.561 60.755 61.300 0.026 0.000 1.104 77 I CB 2.144 40.162 38.000 0.030 0.000 1.264 77 I HN 0.395 nan 8.210 nan 0.000 0.438 78 S N 5.818 121.532 115.700 0.025 0.000 2.659 78 S HA 0.543 5.013 4.470 -0.000 0.000 0.312 78 S C -0.773 173.841 174.600 0.024 0.000 1.114 78 S CA -0.499 57.715 58.200 0.023 0.000 1.063 78 S CB 1.146 64.358 63.200 0.020 0.000 0.996 78 S HN 0.298 nan 8.310 nan 0.000 0.478 79 V N 5.926 125.856 119.914 0.026 0.000 2.334 79 V HA 0.340 4.460 4.120 -0.000 0.000 0.267 79 V C 0.334 176.441 176.094 0.023 0.000 1.040 79 V CA -0.880 61.435 62.300 0.026 0.000 0.866 79 V CB 0.723 32.564 31.823 0.029 0.000 1.019 79 V HN 0.844 nan 8.190 nan 0.000 0.468 80 N N 4.481 123.193 118.700 0.020 0.000 2.663 80 N HA 0.187 4.927 4.740 -0.000 0.000 0.250 80 N C 1.404 176.925 175.510 0.019 0.000 1.129 80 N CA 0.484 53.544 53.050 0.018 0.000 0.995 80 N CB 1.251 39.747 38.487 0.015 0.000 1.324 80 N HN 0.662 nan 8.380 nan 0.000 0.512 81 G N 2.672 111.484 108.800 0.021 0.000 2.505 81 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 81 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 81 G C 1.391 176.303 174.900 0.020 0.000 1.145 81 G CA 0.841 45.954 45.100 0.022 0.000 0.761 81 G HN 0.552 nan 8.290 nan 0.000 0.571 82 K N 0.587 120.998 120.400 0.018 0.000 2.057 82 K HA 0.062 4.382 4.320 -0.000 0.000 0.207 82 K C 2.941 179.549 176.600 0.014 0.000 1.049 82 K CA 1.058 57.355 56.287 0.016 0.000 0.931 82 K CB -0.238 32.270 32.500 0.014 0.000 0.714 82 K HN 0.285 nan 8.250 nan 0.000 0.440 83 A N 1.480 124.308 122.820 0.012 0.000 1.930 83 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 83 A C 1.437 179.029 177.584 0.012 0.000 1.175 83 A CA 0.659 52.702 52.037 0.010 0.000 0.627 83 A CB -0.386 18.619 19.000 0.009 0.000 0.815 83 A HN 0.031 nan 8.150 nan 0.000 0.443 87 R N 1.340 121.840 120.500 -0.001 0.000 2.081 87 R HA 0.042 4.382 4.340 -0.000 0.000 0.235 87 R C 1.916 178.211 176.300 -0.009 0.000 1.131 87 R CA 1.869 57.964 56.100 -0.009 0.000 0.960 87 R CB -0.396 29.902 30.300 -0.003 0.000 0.856 87 R HN 0.380 nan 8.270 nan 0.000 0.436 88 I N 0.886 121.460 120.570 0.007 0.000 2.163 88 I HA -0.328 3.842 4.170 -0.000 0.000 0.243 88 I C 2.502 178.612 176.117 -0.012 0.000 1.085 88 I CA 1.607 62.908 61.300 0.002 0.000 1.347 88 I CB -0.223 37.798 38.000 0.035 0.000 1.044 88 I HN 0.248 nan 8.210 nan 0.000 0.408 89 Q N -0.062 119.739 119.800 0.002 0.000 2.079 89 Q HA -0.177 4.163 4.340 -0.000 0.000 0.200 89 Q C 2.359 178.340 176.000 -0.032 0.000 0.974 89 Q CA 2.300 58.101 55.803 -0.004 0.000 0.840 89 Q CB -0.271 28.474 28.738 0.010 0.000 0.898 89 Q HN 0.662 nan 8.270 nan 0.000 0.430 90 T N -0.846 113.682 114.554 -0.043 0.000 2.777 90 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 90 T C 1.624 176.251 174.700 -0.120 0.000 1.040 90 T CA 0.913 62.969 62.100 -0.074 0.000 1.141 90 T CB -0.098 68.730 68.868 -0.066 0.000 0.868 90 T HN 0.060 nan 8.240 nan 0.000 0.444 91 E N 1.822 121.954 120.200 -0.114 0.000 2.077 91 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 91 E C 2.466 178.953 176.600 -0.189 0.000 0.989 91 E CA 1.519 57.801 56.400 -0.195 0.000 0.800 91 E CB -0.319 29.324 29.700 -0.096 0.000 0.746 91 E HN 0.717 nan 8.360 nan 0.000 0.452 92 R N 1.582 122.075 120.500 -0.012 0.000 2.092 92 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 92 R C 1.505 177.813 176.300 0.013 0.000 1.119 92 R CA 1.653 57.810 56.100 0.095 0.000 0.970 92 R CB -0.700 29.621 30.300 0.036 0.000 0.864 92 R HN -0.032 nan 8.270 nan 0.000 0.440 93 D N 0.664 121.028 120.400 -0.060 0.000 2.149 93 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 93 D C 1.826 178.022 176.300 -0.173 0.000 0.990 93 D CA 1.390 55.336 54.000 -0.089 0.000 0.839 93 D CB -0.298 40.448 40.800 -0.089 0.000 0.948 93 D HN 0.384 nan 8.370 nan 0.000 0.460 94 R N -0.404 119.933 120.500 -0.272 0.000 2.080 94 R HA -0.157 4.183 4.340 -0.000 0.000 0.236 94 R C 2.247 178.280 176.300 -0.446 0.000 1.137 94 R CA 1.200 57.026 56.100 -0.457 0.000 0.943 94 R CB -0.290 29.697 30.300 -0.522 0.000 0.846 94 R HN 0.085 nan 8.270 nan 0.000 0.431 95 F N 0.102 120.012 119.950 -0.066 0.000 2.102 95 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 95 F C 2.392 178.213 175.800 0.034 0.000 1.105 95 F CA 0.950 59.000 58.000 0.083 0.000 1.239 95 F CB -0.907 38.131 39.000 0.063 0.000 0.991 95 F HN -0.161 nan 8.300 nan 0.000 0.474 96 V N 0.259 120.261 119.914 0.147 0.000 2.282 96 V HA -0.310 3.810 4.120 -0.000 0.000 0.249 96 V C 2.730 178.817 176.094 -0.012 0.000 1.057 96 V CA 2.104 64.442 62.300 0.063 0.000 1.032 96 V CB -1.632 30.208 31.823 0.028 0.000 0.645 96 V HN 0.489 nan 8.190 nan 0.000 0.447 97 G N -0.892 107.820 108.800 -0.147 0.000 2.469 97 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 97 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 97 G C 1.520 176.306 174.900 -0.191 0.000 1.150 97 G CA 1.046 46.004 45.100 -0.236 0.000 0.763 97 G HN 0.507 nan 8.290 nan 0.000 0.561 98 F N 0.263 120.214 119.950 0.002 0.000 2.102 98 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 98 F C 2.891 178.678 175.800 -0.021 0.000 1.105 98 F CA 0.655 58.656 58.000 0.001 0.000 1.239 98 F CB -0.373 38.656 39.000 0.048 0.000 0.991 98 F HN -0.023 nan 8.300 nan 0.000 0.474 99 V N -0.359 119.663 119.914 0.180 0.000 2.295 99 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 99 V C 2.243 178.319 176.094 -0.030 0.000 1.049 99 V CA 1.503 63.849 62.300 0.075 0.000 1.024 99 V CB -0.708 31.169 31.823 0.091 0.000 0.648 99 V HN 0.173 nan 8.190 nan 0.000 0.447 100 V N -0.159 119.736 119.914 -0.032 0.000 2.287 100 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 100 V C 2.441 178.436 176.094 -0.165 0.000 1.053 100 V CA 2.196 64.436 62.300 -0.099 0.000 1.027 100 V CB -0.724 31.067 31.823 -0.054 0.000 0.646 100 V HN 0.618 nan 8.190 nan 0.000 0.447 101 E N 0.177 120.314 120.200 -0.104 0.000 2.086 101 E HA -0.239 4.111 4.350 -0.000 0.000 0.200 101 E C 2.406 178.892 176.600 -0.190 0.000 1.012 101 E CA 1.846 58.185 56.400 -0.103 0.000 0.812 101 E CB -0.258 29.440 29.700 -0.004 0.000 0.743 101 E HN 0.578 nan 8.360 nan 0.000 0.453 102 S N 0.370 115.942 115.700 -0.214 0.000 2.356 102 S HA -0.145 4.325 4.470 -0.000 0.000 0.223 102 S C 2.236 176.293 174.600 -0.905 0.000 1.032 102 S CA 1.107 59.070 58.200 -0.396 0.000 1.005 102 S CB -0.262 62.780 63.200 -0.264 0.000 0.867 102 S HN 0.069 nan 8.310 nan 0.000 0.449 103 V N 1.977 121.406 119.914 -0.809 0.000 2.332 103 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 103 V C 2.347 178.015 176.094 -0.711 0.000 1.055 103 V CA 1.754 63.465 62.300 -0.982 0.000 1.038 103 V CB -0.712 30.651 31.823 -0.767 0.000 0.651 103 V HN 0.495 nan 8.190 nan 0.000 0.450 104 E N 0.498 120.417 120.200 -0.469 0.000 2.110 104 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 104 E C 2.347 178.824 176.600 -0.206 0.000 0.988 104 E CA 1.526 57.755 56.400 -0.284 0.000 0.804 104 E CB -0.222 29.361 29.700 -0.195 0.000 0.745 104 E HN 0.760 nan 8.360 nan 0.000 0.458 105 S N 0.395 115.950 115.700 -0.242 0.000 2.447 105 S HA -0.096 4.374 4.470 -0.000 0.000 0.233 105 S C 0.660 175.304 174.600 0.072 0.000 1.006 105 S CA 0.141 58.284 58.200 -0.094 0.000 0.957 105 S CB -0.317 62.836 63.200 -0.078 0.000 0.773 105 S HN -0.031 nan 8.310 nan 0.000 0.507 106 F N 3.368 123.298 119.950 -0.034 0.000 2.563 106 F HA 0.319 4.846 4.527 -0.000 0.000 0.363 106 F C 0.712 176.502 175.800 -0.016 0.000 1.123 106 F CA -1.770 56.227 58.000 -0.004 0.000 1.307 106 F CB -0.521 38.401 39.000 -0.129 0.000 1.115 106 F HN 0.048 nan 8.300 nan 0.000 0.592 107 D N 2.430 122.970 120.400 0.234 0.000 2.658 107 D HA -0.079 4.561 4.640 -0.000 0.000 0.230 107 D C 1.258 177.606 176.300 0.080 0.000 1.118 107 D CA 0.506 54.581 54.000 0.124 0.000 0.848 107 D CB 0.381 41.249 40.800 0.114 0.000 1.160 107 D HN 0.488 nan 8.370 nan 0.000 0.497 108 E N 1.576 121.802 120.200 0.044 0.000 2.114 108 E HA -0.271 4.079 4.350 -0.000 0.000 0.199 108 E C 1.858 178.470 176.600 0.019 0.000 1.008 108 E CA 1.529 57.941 56.400 0.019 0.000 0.810 108 E CB -0.049 29.655 29.700 0.007 0.000 0.739 108 E HN 0.669 nan 8.360 nan 0.000 0.456 109 Q N -0.086 119.730 119.800 0.026 0.000 2.437 109 Q HA -0.119 4.221 4.340 -0.000 0.000 0.210 109 Q C 0.326 176.344 176.000 0.029 0.000 0.972 109 Q CA 1.255 57.072 55.803 0.024 0.000 0.903 109 Q CB 0.114 28.867 28.738 0.024 0.000 0.967 109 Q HN 0.131 nan 8.270 nan 0.000 0.486 110 D N 0.840 121.260 120.400 0.034 0.000 2.328 110 D HA 0.147 4.787 4.640 -0.000 0.000 0.221 110 D C -0.551 175.720 176.300 -0.048 0.000 1.072 110 D CA 0.439 54.450 54.000 0.019 0.000 0.850 110 D CB 0.363 41.203 40.800 0.067 0.000 0.922 110 D HN 0.219 nan 8.370 nan 0.000 0.516 111 K N 0.528 120.920 120.400 -0.014 0.000 2.471 111 K HA 0.521 4.841 4.320 -0.000 0.000 0.252 111 K C -0.694 175.925 176.600 0.031 0.000 0.938 111 K CA -0.450 55.841 56.287 0.006 0.000 0.796 111 K CB 2.612 35.122 32.500 0.017 0.000 1.161 111 K HN -0.149 nan 8.250 nan 0.000 0.425 112 I N 2.692 123.287 120.570 0.042 0.000 2.465 112 I HA 0.380 4.550 4.170 -0.000 0.000 0.291 112 I C -0.229 175.913 176.117 0.042 0.000 1.014 112 I CA -1.163 60.162 61.300 0.043 0.000 1.093 112 I CB 1.591 39.624 38.000 0.055 0.000 1.267 112 I HN 0.275 nan 8.210 nan 0.000 0.431 113 R N 3.802 124.318 120.500 0.028 0.000 2.265 113 R HA 0.759 5.099 4.340 -0.000 0.000 0.314 113 R C 0.031 176.356 176.300 0.042 0.000 1.053 113 R CA -0.397 55.693 56.100 -0.018 0.000 0.931 113 R CB 0.806 31.085 30.300 -0.034 0.000 1.024 113 R HN 0.983 nan 8.270 nan 0.000 0.457 114 G N 1.990 110.721 108.800 -0.114 0.000 2.351 114 G HA2 0.010 3.970 3.960 -0.000 0.000 0.353 114 G HA3 0.010 3.970 3.960 -0.000 0.000 0.353 114 G C -1.534 173.188 174.900 -0.297 0.000 1.358 114 G CA -1.069 43.954 45.100 -0.129 0.000 0.995 114 G HN 0.262 nan 8.290 nan 0.000 0.611 115 F N 1.199 121.126 119.950 -0.039 0.000 2.404 115 F HA 0.660 5.187 4.527 -0.000 0.000 0.345 115 F C 1.045 176.802 175.800 -0.071 0.000 1.110 115 F CA 0.308 58.279 58.000 -0.049 0.000 1.130 115 F CB 1.924 40.900 39.000 -0.041 0.000 1.129 115 F HN 0.741 nan 8.300 nan 0.000 0.500 116 A N 4.637 127.511 122.820 0.090 0.000 2.304 116 A HA 0.742 5.061 4.320 -0.000 0.000 0.301 116 A C -0.517 177.068 177.584 0.003 0.000 1.132 116 A CA -0.669 51.362 52.037 -0.009 0.000 0.819 116 A CB 0.726 19.675 19.000 -0.085 0.000 1.094 116 A HN 0.806 nan 8.150 nan 0.000 0.492 117 K N 0.878 121.251 120.400 -0.044 0.000 2.482 117 K HA 0.616 4.936 4.320 -0.000 0.000 0.257 117 K C -1.640 174.920 176.600 -0.066 0.000 0.969 117 K CA -0.661 55.629 56.287 0.004 0.000 0.842 117 K CB 1.250 33.781 32.500 0.051 0.000 1.359 117 K HN 0.334 nan 8.250 nan 0.000 0.441 118 F N 2.210 122.162 119.950 0.003 0.000 2.472 118 F HA 0.147 4.674 4.527 -0.000 0.000 0.364 118 F C 1.375 177.176 175.800 0.002 0.000 1.090 118 F CA -0.397 57.604 58.000 0.002 0.000 1.188 118 F CB 0.606 39.600 39.000 -0.009 0.000 1.105 118 F HN 0.370 nan 8.300 nan 0.000 0.536 119 L N 1.556 122.862 121.223 0.138 0.000 2.202 119 L HA 0.064 4.404 4.340 -0.000 0.000 0.205 119 L C 0.117 177.059 176.870 0.120 0.000 1.083 119 L CA 0.473 55.373 54.840 0.099 0.000 0.790 119 L CB -0.210 41.882 42.059 0.054 0.000 0.942 119 L HN 0.682 nan 8.230 nan 0.000 0.452 120 D N -3.148 117.351 120.400 0.165 0.000 2.838 120 D HA 0.017 4.657 4.640 -0.000 0.000 0.334 120 D C 0.065 176.505 176.300 0.232 0.000 1.315 120 D CA -0.658 53.437 54.000 0.157 0.000 0.917 120 D CB 0.311 41.182 40.800 0.118 0.000 1.435 120 D HN -0.141 nan 8.370 nan 0.000 0.517 121 E N -1.466 118.832 120.200 0.164 0.000 2.478 121 E HA -0.059 4.291 4.350 -0.000 0.000 0.198 121 E C 0.389 177.024 176.600 0.059 0.000 1.046 121 E CA 0.588 57.064 56.400 0.127 0.000 0.870 121 E CB -0.007 29.715 29.700 0.037 0.000 0.818 121 E HN 0.347 nan 8.360 nan 0.000 0.527 122 H N -0.803 118.396 119.070 0.215 0.000 3.233 122 H HA 0.190 4.745 4.556 -0.000 0.000 0.263 122 H C -0.213 175.151 175.328 0.061 0.000 1.168 122 H CA 0.276 56.393 56.048 0.115 0.000 1.159 122 H CB 1.189 30.955 29.762 0.007 0.000 1.593 122 H HN -0.061 nan 8.280 nan 0.000 0.580 123 T N 2.237 116.881 114.554 0.149 0.000 2.841 123 T HA 0.424 4.774 4.350 -0.000 0.000 0.285 123 T C -0.428 174.253 174.700 -0.031 0.000 0.991 123 T CA -0.614 61.522 62.100 0.060 0.000 0.966 123 T CB 2.185 71.094 68.868 0.068 0.000 0.962 123 T HN -0.118 nan 8.240 nan 0.000 0.438 124 L N 2.568 123.731 121.223 -0.100 0.000 2.334 124 L HA 0.588 4.928 4.340 -0.000 0.000 0.273 124 L C 0.015 176.826 176.870 -0.098 0.000 1.013 124 L CA -0.636 54.093 54.840 -0.185 0.000 0.816 124 L CB 1.821 43.722 42.059 -0.262 0.000 1.278 124 L HN 0.686 nan 8.230 nan 0.000 0.431 125 Q N 1.257 121.001 119.800 -0.094 0.000 2.333 125 Q HA 0.634 4.974 4.340 -0.000 0.000 0.267 125 Q C -1.670 174.270 176.000 -0.100 0.000 1.012 125 Q CA -0.603 55.154 55.803 -0.077 0.000 0.824 125 Q CB 1.960 30.666 28.738 -0.054 0.000 1.290 125 Q HN 0.458 nan 8.270 nan 0.000 0.449 126 V N 5.260 125.089 119.914 -0.140 0.000 2.350 126 V HA 0.154 4.274 4.120 -0.000 0.000 0.276 126 V C 0.266 176.108 176.094 -0.420 0.000 1.028 126 V CA -0.395 61.785 62.300 -0.200 0.000 0.860 126 V CB 0.874 32.628 31.823 -0.115 0.000 0.990 126 V HN 1.018 nan 8.190 nan 0.000 0.453 127 D N 4.294 124.553 120.400 -0.235 0.000 3.945 127 D HA -0.280 4.360 4.640 -0.000 0.000 0.166 127 D C 0.970 177.146 176.300 -0.207 0.000 0.775 127 D CA 2.253 56.141 54.000 -0.188 0.000 0.954 127 D CB -0.329 40.366 40.800 -0.174 0.000 0.433 127 D HN 0.926 nan 8.370 nan 0.000 0.385 128 D N -0.395 119.872 120.400 -0.220 0.000 2.469 128 D HA -0.012 4.628 4.640 -0.000 0.000 0.213 128 D C 1.310 177.572 176.300 -0.064 0.000 1.135 128 D CA 0.513 54.452 54.000 -0.102 0.000 0.834 128 D CB -0.646 40.141 40.800 -0.021 0.000 1.009 128 D HN 0.784 nan 8.370 nan 0.000 0.507 129 H N -1.301 117.776 119.070 0.010 0.000 2.557 129 H HA 0.352 4.908 4.556 -0.000 0.000 0.281 129 H C -0.196 175.133 175.328 0.003 0.000 0.990 129 H CA -0.175 55.876 56.048 0.006 0.000 1.278 129 H CB 0.509 30.274 29.762 0.004 0.000 1.451 129 H HN -0.137 nan 8.280 nan 0.000 0.516 130 S N 0.648 116.393 115.700 0.076 0.000 2.548 130 S HA 0.381 4.851 4.470 -0.000 0.000 0.286 130 S C -0.944 173.660 174.600 0.008 0.000 1.098 130 S CA -0.795 57.473 58.200 0.115 0.000 0.930 130 S CB 3.177 66.519 63.200 0.236 0.000 1.070 130 S HN 0.319 nan 8.310 nan 0.000 0.480 131 Q N 1.199 121.010 119.800 0.017 0.000 2.353 131 Q HA 0.642 4.982 4.340 -0.000 0.000 0.268 131 Q C -1.439 174.563 176.000 0.004 0.000 1.045 131 Q CA -0.738 55.063 55.803 -0.003 0.000 0.811 131 Q CB 2.310 31.049 28.738 0.001 0.000 1.305 131 Q HN 0.440 nan 8.270 nan 0.000 0.447 132 V N 3.956 123.863 119.914 -0.011 0.000 2.384 132 V HA 0.375 4.495 4.120 -0.000 0.000 0.287 132 V C -0.277 175.818 176.094 0.002 0.000 1.020 132 V CA -0.636 61.661 62.300 -0.005 0.000 0.850 132 V CB 1.405 33.217 31.823 -0.018 0.000 0.987 132 V HN 0.704 nan 8.190 nan 0.000 0.436 133 I N 4.739 125.317 120.570 0.014 0.000 2.291 133 I HA 0.538 4.708 4.170 -0.000 0.000 0.292 133 I C 0.466 176.606 176.117 0.037 0.000 1.064 133 I CA 0.085 61.402 61.300 0.028 0.000 1.269 133 I CB 1.162 39.170 38.000 0.013 0.000 1.418 133 I HN 0.689 nan 8.210 nan 0.000 0.485 134 A N 6.568 129.435 122.820 0.079 0.000 2.319 134 A HA 0.440 4.760 4.320 -0.000 0.000 0.310 134 A C 0.842 178.534 177.584 0.180 0.000 1.152 134 A CA -0.687 51.405 52.037 0.092 0.000 0.783 134 A CB 1.146 20.186 19.000 0.068 0.000 1.184 134 A HN 0.745 nan 8.150 nan 0.000 0.474 135 K N 0.555 121.009 120.400 0.091 0.000 2.097 135 K HA -0.059 4.261 4.320 -0.000 0.000 0.205 135 K C 0.168 176.781 176.600 0.022 0.000 1.050 135 K CA 1.175 57.488 56.287 0.044 0.000 0.938 135 K CB -0.010 32.475 32.500 -0.025 0.000 0.718 135 K HN 0.626 nan 8.250 nan 0.000 0.442 136 R N -0.194 120.347 120.500 0.068 0.000 2.744 136 R HA 0.495 4.835 4.340 -0.000 0.000 0.279 136 R C -1.066 175.351 176.300 0.194 0.000 0.977 136 R CA -0.373 55.812 56.100 0.142 0.000 0.906 136 R CB 1.740 32.111 30.300 0.119 0.000 1.197 136 R HN -0.057 nan 8.270 nan 0.000 0.463 137 I N 1.646 122.383 120.570 0.277 0.000 2.499 137 I HA 0.393 4.563 4.170 -0.000 0.000 0.288 137 I C -0.904 175.394 176.117 0.302 0.000 1.048 137 I CA -1.096 60.340 61.300 0.227 0.000 1.062 137 I CB 2.345 40.477 38.000 0.220 0.000 1.238 137 I HN 0.164 nan 8.210 nan 0.000 0.426 138 V N 6.990 127.026 119.914 0.204 0.000 2.370 138 V HA 0.405 4.525 4.120 -0.000 0.000 0.283 138 V C 0.163 176.345 176.094 0.147 0.000 1.023 138 V CA -0.483 61.932 62.300 0.191 0.000 0.857 138 V CB 1.596 33.467 31.823 0.080 0.000 0.985 138 V HN 0.466 nan 8.190 nan 0.000 0.443 139 I N 4.532 125.197 120.570 0.158 0.000 2.322 139 I HA 0.460 4.630 4.170 -0.000 0.000 0.292 139 I C 0.735 176.890 176.117 0.063 0.000 1.060 139 I CA 0.176 61.551 61.300 0.125 0.000 1.309 139 I CB 1.069 39.148 38.000 0.133 0.000 1.415 139 I HN 0.706 nan 8.210 nan 0.000 0.492 140 A N 3.824 126.678 122.820 0.056 0.000 2.959 140 A HA 0.257 4.576 4.320 -0.000 0.000 0.280 140 A C 0.937 178.545 177.584 0.038 0.000 0.953 140 A CA -0.374 51.685 52.037 0.036 0.000 1.047 140 A CB -0.380 18.644 19.000 0.041 0.000 1.147 140 A HN 0.711 nan 8.150 nan 0.000 0.489 141 T N -2.852 111.727 114.554 0.041 0.000 3.169 141 T HA 0.449 4.799 4.350 -0.000 0.000 0.250 141 T C 1.246 175.972 174.700 0.043 0.000 1.111 141 T CA 0.759 62.890 62.100 0.052 0.000 1.010 141 T CB -0.295 68.614 68.868 0.068 0.000 0.984 141 T HN 1.935 nan 8.240 nan 0.000 0.537 142 G N 1.818 110.634 108.800 0.028 0.000 2.645 142 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.246 142 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.246 142 G C -0.133 174.779 174.900 0.020 0.000 1.322 142 G CA -0.177 44.938 45.100 0.025 0.000 0.898 142 G HN 1.518 nan 8.290 nan 0.000 0.573 143 S N -1.014 114.701 115.700 0.025 0.000 2.632 143 S HA 0.894 5.364 4.470 -0.000 0.000 0.289 143 S C -0.242 174.375 174.600 0.028 0.000 1.115 143 S CA 0.202 58.414 58.200 0.021 0.000 0.889 143 S CB 2.437 65.648 63.200 0.020 0.000 1.116 143 S HN 1.652 nan 8.310 nan 0.000 0.486 144 R N -0.827 119.685 120.500 0.019 0.000 2.867 144 R HA 0.740 5.080 4.340 -0.000 0.000 0.268 144 R C -3.430 172.884 176.300 0.023 0.000 1.014 144 R CA -2.272 53.842 56.100 0.024 0.000 0.946 144 R CB 0.436 30.742 30.300 0.010 0.000 1.208 144 R HN 0.316 nan 8.270 nan 0.000 0.477 145 P HA 0.140 nan 4.420 nan 0.000 0.268 145 P C -1.302 176.006 177.300 0.013 0.000 1.205 145 P CA -0.088 63.058 63.100 0.076 0.000 0.771 145 P CB 0.560 32.345 31.700 0.142 0.000 0.858 146 N N 1.590 120.291 118.700 0.002 0.000 2.242 146 N HA 0.597 5.337 4.740 -0.000 0.000 0.292 146 N C -1.824 173.651 175.510 -0.058 0.000 1.125 146 N CA -0.650 52.297 53.050 -0.172 0.000 0.783 146 N CB 1.151 39.561 38.487 -0.127 0.000 1.558 146 N HN 0.344 nan 8.380 nan 0.000 0.472 147 Y N -0.519 119.740 120.300 -0.069 0.000 2.592 147 Y HA 0.651 5.201 4.550 -0.000 0.000 0.334 147 Y C -2.809 172.997 175.900 -0.157 0.000 1.136 147 Y CA -1.922 56.106 58.100 -0.119 0.000 1.042 147 Y CB -0.003 38.360 38.460 -0.162 0.000 1.325 147 Y HN 0.319 nan 8.280 nan 0.000 0.457 148 P HA 0.102 nan 4.420 nan 0.000 0.272 148 P C 0.251 177.483 177.300 -0.113 0.000 1.240 148 P CA -0.072 62.975 63.100 -0.089 0.000 0.791 148 P CB 1.620 33.280 31.700 -0.067 0.000 0.978 149 E N 0.735 120.924 120.200 -0.019 0.000 2.118 149 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 149 E C 1.711 178.321 176.600 0.015 0.000 0.992 149 E CA 1.314 57.727 56.400 0.021 0.000 0.804 149 E CB -0.686 29.046 29.700 0.054 0.000 0.741 149 E HN 0.526 nan 8.360 nan 0.000 0.458 150 F N -0.215 119.740 119.950 0.008 0.000 2.171 150 F HA -0.104 4.423 4.527 -0.000 0.000 0.300 150 F C 1.761 177.507 175.800 -0.090 0.000 1.090 150 F CA 0.511 58.485 58.000 -0.043 0.000 1.293 150 F CB -0.674 38.287 39.000 -0.065 0.000 1.013 150 F HN 0.053 nan 8.300 nan 0.000 0.486 151 L N 1.497 122.247 121.223 -0.788 0.000 2.131 151 L HA 0.023 4.363 4.340 -0.000 0.000 0.210 151 L C 2.624 179.295 176.870 -0.332 0.000 1.092 151 L CA 1.467 55.918 54.840 -0.649 0.000 0.759 151 L CB -1.681 39.921 42.059 -0.763 0.000 0.903 151 L HN 0.351 nan 8.230 nan 0.000 0.435 152 A N -0.894 121.838 122.820 -0.147 0.000 2.070 152 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 152 A C 2.329 179.888 177.584 -0.041 0.000 1.159 152 A CA 1.347 53.363 52.037 -0.035 0.000 0.656 152 A CB -0.763 18.312 19.000 0.125 0.000 0.800 152 A HN 0.422 nan 8.150 nan 0.000 0.453 153 A N -0.518 122.283 122.820 -0.031 0.000 2.216 153 A HA 0.288 4.608 4.320 -0.000 0.000 0.214 153 A C 2.094 179.661 177.584 -0.029 0.000 1.160 153 A CA 1.351 53.382 52.037 -0.010 0.000 0.725 153 A CB -0.621 18.391 19.000 0.021 0.000 0.784 153 A HN 0.978 nan 8.150 nan 0.000 0.472 154 A N -1.160 121.619 122.820 -0.068 0.000 2.167 154 A HA 0.407 4.727 4.320 -0.000 0.000 0.214 154 A C 1.919 179.477 177.584 -0.043 0.000 1.151 154 A CA 1.354 53.355 52.037 -0.061 0.000 0.735 154 A CB -1.070 17.870 19.000 -0.100 0.000 0.802 154 A HN 1.788 nan 8.150 nan 0.000 0.467 155 G N 0.195 108.969 108.800 -0.043 0.000 2.651 155 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.315 155 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.315 155 G C 1.399 176.293 174.900 -0.010 0.000 1.258 155 G CA 1.891 46.979 45.100 -0.020 0.000 1.002 155 G HN 1.551 nan 8.290 nan 0.000 0.551 156 S N 0.119 115.823 115.700 0.007 0.000 2.595 156 S HA 0.081 4.551 4.470 -0.000 0.000 0.235 156 S C 1.773 176.418 174.600 0.075 0.000 0.974 156 S CA 1.551 59.770 58.200 0.031 0.000 0.942 156 S CB -0.002 63.216 63.200 0.030 0.000 0.766 156 S HN 0.677 nan 8.310 nan 0.000 0.536 157 R N 0.036 120.570 120.500 0.057 0.000 2.468 157 R HA 0.377 4.717 4.340 -0.000 0.000 0.280 157 R C -0.565 175.836 176.300 0.168 0.000 0.963 157 R CA -0.360 55.823 56.100 0.138 0.000 1.083 157 R CB 0.182 30.453 30.300 -0.047 0.000 1.200 157 R HN 0.322 nan 8.270 nan 0.000 0.541 158 L N 1.833 123.075 121.223 0.032 0.000 2.319 158 L HA 0.273 4.613 4.340 -0.000 0.000 0.280 158 L C -0.886 175.941 176.870 -0.072 0.000 1.099 158 L CA -0.244 54.550 54.840 -0.076 0.000 0.828 158 L CB 0.573 42.489 42.059 -0.239 0.000 1.150 158 L HN -0.139 nan 8.230 nan 0.000 0.442 159 L N 4.665 125.836 121.223 -0.086 0.000 2.325 159 L HA 0.732 5.072 4.340 -0.000 0.000 0.278 159 L C 0.455 177.238 176.870 -0.144 0.000 1.023 159 L CA -0.105 54.653 54.840 -0.137 0.000 0.811 159 L CB 1.662 43.608 42.059 -0.188 0.000 1.249 159 L HN 0.888 nan 8.230 nan 0.000 0.431 160 T N -1.727 112.749 114.554 -0.129 0.000 2.831 160 T HA 0.286 4.636 4.350 -0.000 0.000 0.287 160 T C 0.998 175.621 174.700 -0.128 0.000 1.070 160 T CA -0.451 61.597 62.100 -0.086 0.000 1.010 160 T CB 0.991 69.859 68.868 0.001 0.000 1.264 160 T HN 0.584 nan 8.240 nan 0.000 0.532 161 N N 0.534 119.188 118.700 -0.075 0.000 2.334 161 N HA -0.184 4.556 4.740 -0.000 0.000 0.187 161 N C 0.585 176.114 175.510 0.032 0.000 1.016 161 N CA 1.466 54.489 53.050 -0.045 0.000 0.879 161 N CB -0.651 37.909 38.487 0.122 0.000 0.965 161 N HN 0.585 nan 8.380 nan 0.000 0.438 162 D N 0.769 121.183 120.400 0.024 0.000 2.269 162 D HA -0.081 4.559 4.640 -0.000 0.000 0.208 162 D C 0.981 177.294 176.300 0.022 0.000 0.963 162 D CA 0.919 54.949 54.000 0.050 0.000 0.864 162 D CB -0.072 40.756 40.800 0.046 0.000 0.936 162 D HN 0.668 nan 8.370 nan 0.000 0.505 163 N N -0.472 118.198 118.700 -0.050 0.000 2.113 163 N HA -0.037 4.703 4.740 -0.000 0.000 0.223 163 N C 1.448 176.852 175.510 -0.178 0.000 1.310 163 N CA -0.177 52.828 53.050 -0.076 0.000 0.896 163 N CB -0.390 38.056 38.487 -0.069 0.000 1.097 163 N HN 0.042 nan 8.380 nan 0.000 0.507 164 L N 0.270 121.300 121.223 -0.321 0.000 2.042 164 L HA 0.164 4.504 4.340 -0.000 0.000 0.210 164 L C 1.030 177.646 176.870 -0.423 0.000 1.076 164 L CA 1.726 56.267 54.840 -0.499 0.000 0.749 164 L CB -0.671 40.944 42.059 -0.740 0.000 0.893 164 L HN 0.016 nan 8.230 nan 0.000 0.432 165 F N -0.287 119.622 119.950 -0.069 0.000 2.802 165 F HA 0.077 4.604 4.527 -0.000 0.000 0.300 165 F C 1.936 177.709 175.800 -0.046 0.000 1.168 165 F CA 0.194 58.164 58.000 -0.051 0.000 1.433 165 F CB -0.421 38.562 39.000 -0.029 0.000 1.115 165 F HN 0.178 nan 8.300 nan 0.000 0.582 166 E N 0.280 120.513 120.200 0.054 0.000 2.472 166 E HA 0.140 4.490 4.350 -0.000 0.000 0.196 166 E C 0.795 177.386 176.600 -0.015 0.000 1.033 166 E CA 0.039 56.455 56.400 0.027 0.000 0.886 166 E CB -0.087 29.623 29.700 0.018 0.000 0.944 166 E HN 0.321 nan 8.360 nan 0.000 0.492 167 L N 3.783 124.966 121.223 -0.067 0.000 2.593 167 L HA -0.070 4.270 4.340 -0.000 0.000 0.287 167 L C 1.783 178.642 176.870 -0.019 0.000 1.243 167 L CA -0.019 54.776 54.840 -0.075 0.000 0.890 167 L CB 0.117 42.087 42.059 -0.148 0.000 1.134 167 L HN 0.134 nan 8.230 nan 0.000 0.502 168 N N 0.899 119.599 118.700 -0.001 0.000 2.457 168 N HA -0.064 4.676 4.740 -0.000 0.000 0.180 168 N C 0.025 175.544 175.510 0.016 0.000 1.050 168 N CA 0.464 53.522 53.050 0.012 0.000 0.906 168 N CB 0.302 38.799 38.487 0.018 0.000 0.968 168 N HN 0.661 nan 8.380 nan 0.000 0.445 169 D N -0.419 119.991 120.400 0.017 0.000 2.583 169 D HA 0.379 5.019 4.640 -0.000 0.000 0.248 169 D C -0.997 175.315 176.300 0.020 0.000 1.209 169 D CA -0.660 53.354 54.000 0.024 0.000 0.848 169 D CB 1.895 42.717 40.800 0.036 0.000 1.431 169 D HN -0.079 nan 8.370 nan 0.000 0.436 170 L N 2.609 123.846 121.223 0.023 0.000 2.416 170 L HA 0.302 4.642 4.340 -0.000 0.000 0.272 170 L C -1.581 175.321 176.870 0.054 0.000 1.161 170 L CA -1.157 53.695 54.840 0.021 0.000 0.845 170 L CB 0.655 42.727 42.059 0.021 0.000 1.119 170 L HN 0.290 nan 8.230 nan 0.000 0.464 171 P HA 0.088 nan 4.420 nan 0.000 0.272 171 P C -0.205 177.163 177.300 0.113 0.000 1.230 171 P CA -0.503 62.695 63.100 0.164 0.000 0.788 171 P CB 0.865 32.727 31.700 0.271 0.000 0.949 172 K N 0.064 120.529 120.400 0.107 0.000 2.103 172 K HA 0.034 4.354 4.320 -0.000 0.000 0.204 172 K C 0.908 177.557 176.600 0.083 0.000 1.052 172 K CA 1.217 57.545 56.287 0.069 0.000 0.945 172 K CB -0.406 32.117 32.500 0.039 0.000 0.722 172 K HN 0.730 nan 8.250 nan 0.000 0.443 173 S N -1.055 114.725 115.700 0.133 0.000 2.537 173 S HA 0.571 5.041 4.470 -0.000 0.000 0.271 173 S C -0.856 173.937 174.600 0.322 0.000 1.148 173 S CA -1.039 57.288 58.200 0.212 0.000 0.868 173 S CB 2.275 65.567 63.200 0.154 0.000 1.115 173 S HN -0.185 nan 8.310 nan 0.000 0.461 174 V N 1.025 121.136 119.914 0.329 0.000 2.668 174 V HA 0.810 4.930 4.120 -0.000 0.000 0.304 174 V C -0.099 175.899 176.094 -0.161 0.000 1.071 174 V CA -0.496 61.897 62.300 0.155 0.000 0.894 174 V CB 1.703 33.552 31.823 0.042 0.000 1.008 174 V HN 1.363 nan 8.190 nan 0.000 0.425 175 A N 4.526 127.037 122.820 -0.515 0.000 2.274 175 A HA 0.832 5.152 4.320 -0.000 0.000 0.309 175 A C -0.496 176.838 177.584 -0.418 0.000 1.226 175 A CA -0.425 51.127 52.037 -0.807 0.000 0.853 175 A CB 1.018 19.393 19.000 -1.042 0.000 1.146 175 A HN 0.742 nan 8.150 nan 0.000 0.518 176 V N 2.315 121.908 119.914 -0.537 0.000 2.532 176 V HA 0.583 4.703 4.120 -0.000 0.000 0.295 176 V C -0.812 174.987 176.094 -0.492 0.000 1.041 176 V CA -0.176 61.927 62.300 -0.327 0.000 0.926 176 V CB 0.925 32.592 31.823 -0.260 0.000 0.992 176 V HN 0.709 nan 8.190 nan 0.000 0.457 177 F N 1.816 121.804 119.950 0.064 0.000 2.547 177 F HA 0.830 5.357 4.527 -0.000 0.000 0.316 177 F C 0.548 176.421 175.800 0.122 0.000 1.121 177 F CA 0.095 58.185 58.000 0.149 0.000 0.911 177 F CB 2.195 41.280 39.000 0.140 0.000 1.179 177 F HN 0.905 nan 8.300 nan 0.000 0.443 178 G N 3.607 112.603 108.800 0.327 0.000 2.515 178 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.686 178 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.686 178 G C -2.762 172.248 174.900 0.184 0.000 1.274 178 G CA -0.981 44.263 45.100 0.239 0.000 0.874 178 G HN 0.410 nan 8.290 nan 0.000 0.631 179 P HA 0.169 nan 4.420 nan 0.000 0.245 179 P C 1.234 178.596 177.300 0.103 0.000 1.212 179 P CA 1.070 64.258 63.100 0.147 0.000 0.774 179 P CB 0.139 31.919 31.700 0.132 0.000 0.999 180 G N 0.645 109.496 108.800 0.085 0.000 2.340 180 G HA2 0.106 4.066 3.960 -0.000 0.000 0.245 180 G HA3 0.106 4.066 3.960 -0.000 0.000 0.245 180 G C 1.234 176.149 174.900 0.025 0.000 1.294 180 G CA -0.398 44.736 45.100 0.058 0.000 0.896 180 G HN -0.067 nan 8.290 nan 0.000 0.522 181 V N 3.714 123.645 119.914 0.027 0.000 2.380 181 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 181 V C 2.865 178.951 176.094 -0.014 0.000 1.063 181 V CA 1.856 64.160 62.300 0.008 0.000 1.055 181 V CB -0.599 31.247 31.823 0.038 0.000 0.657 181 V HN 0.764 nan 8.190 nan 0.000 0.455 182 I N 0.536 121.113 120.570 0.012 0.000 2.248 182 I HA -0.250 3.919 4.170 -0.000 0.000 0.248 182 I C 2.513 178.597 176.117 -0.054 0.000 1.107 182 I CA 1.747 63.051 61.300 0.007 0.000 1.373 182 I CB -0.831 37.190 38.000 0.034 0.000 1.055 182 I HN 0.405 nan 8.210 nan 0.000 0.418 183 G N 0.562 109.322 108.800 -0.067 0.000 2.440 183 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 183 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 183 G C 1.522 176.284 174.900 -0.230 0.000 1.154 183 G CA 0.557 45.584 45.100 -0.123 0.000 0.767 183 G HN 0.171 nan 8.290 nan 0.000 0.552 184 L N 0.461 121.527 121.223 -0.260 0.000 2.095 184 L HA 0.147 4.487 4.340 -0.000 0.000 0.204 184 L C 2.687 179.351 176.870 -0.344 0.000 1.080 184 L CA 1.173 55.764 54.840 -0.415 0.000 0.759 184 L CB -1.057 40.704 42.059 -0.495 0.000 0.914 184 L HN 0.321 nan 8.230 nan 0.000 0.439 185 E N -0.792 119.301 120.200 -0.177 0.000 2.038 185 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 185 E C 2.043 178.565 176.600 -0.131 0.000 1.000 185 E CA 1.072 57.420 56.400 -0.086 0.000 0.803 185 E CB -0.079 29.640 29.700 0.032 0.000 0.750 185 E HN 0.176 nan 8.360 nan 0.000 0.448 186 L N -0.012 121.132 121.223 -0.131 0.000 2.179 186 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 186 L C 2.314 179.038 176.870 -0.242 0.000 1.096 186 L CA 1.566 56.325 54.840 -0.134 0.000 0.779 186 L CB -1.156 40.839 42.059 -0.107 0.000 0.922 186 L HN 0.140 nan 8.230 nan 0.000 0.443 187 G N -1.396 107.199 108.800 -0.342 0.000 2.404 187 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.215 187 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.215 187 G C 1.513 175.982 174.900 -0.719 0.000 1.174 187 G CA 0.720 45.529 45.100 -0.484 0.000 0.780 187 G HN 0.437 nan 8.290 nan 0.000 0.537 188 Q N 0.151 119.432 119.800 -0.865 0.000 2.046 188 Q HA 0.010 4.350 4.340 -0.000 0.000 0.200 188 Q C 2.813 178.556 176.000 -0.429 0.000 0.975 188 Q CA 1.546 56.815 55.803 -0.890 0.000 0.836 188 Q CB -0.337 28.079 28.738 -0.537 0.000 0.896 188 Q HN 0.375 nan 8.270 nan 0.000 0.428 189 A N 0.975 123.628 122.820 -0.277 0.000 1.883 189 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 189 A C 2.084 179.581 177.584 -0.144 0.000 1.186 189 A CA 1.517 53.461 52.037 -0.155 0.000 0.624 189 A CB -0.889 18.061 19.000 -0.083 0.000 0.822 189 A HN 0.470 nan 8.150 nan 0.000 0.444 190 L N -0.817 120.301 121.223 -0.174 0.000 2.012 190 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 190 L C 2.948 179.748 176.870 -0.117 0.000 1.073 190 L CA 1.635 56.398 54.840 -0.129 0.000 0.748 190 L CB -0.538 41.437 42.059 -0.140 0.000 0.891 190 L HN 0.509 nan 8.230 nan 0.000 0.431 191 S N -0.095 115.488 115.700 -0.195 0.000 2.370 191 S HA -0.210 4.260 4.470 -0.000 0.000 0.226 191 S C 2.084 176.645 174.600 -0.064 0.000 1.033 191 S CA 1.388 59.505 58.200 -0.138 0.000 1.011 191 S CB -0.153 62.898 63.200 -0.248 0.000 0.852 191 S HN 0.329 nan 8.310 nan 0.000 0.457 192 R N -0.188 120.252 120.500 -0.100 0.000 2.237 192 R HA 0.079 4.419 4.340 -0.000 0.000 0.219 192 R C 1.002 177.324 176.300 0.036 0.000 1.080 192 R CA 0.510 56.596 56.100 -0.022 0.000 0.995 192 R CB -0.108 30.146 30.300 -0.077 0.000 0.875 192 R HN 0.317 nan 8.270 nan 0.000 0.462 193 L N -0.718 120.506 121.223 0.002 0.000 2.628 193 L HA 0.246 4.586 4.340 -0.000 0.000 0.229 193 L C 1.144 178.030 176.870 0.027 0.000 1.137 193 L CA 0.890 55.741 54.840 0.017 0.000 0.909 193 L CB 0.174 42.234 42.059 0.002 0.000 1.137 193 L HN 0.423 nan 8.230 nan 0.000 0.470 194 G N -1.017 107.803 108.800 0.033 0.000 2.179 194 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 194 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 194 G C 0.304 175.226 174.900 0.036 0.000 0.990 194 G CA 0.109 45.234 45.100 0.042 0.000 0.646 194 G HN 0.081 nan 8.290 nan 0.000 0.517 195 V N 2.069 121.997 119.914 0.023 0.000 2.614 195 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 195 V C 1.235 177.356 176.094 0.045 0.000 1.049 195 V CA -0.205 62.114 62.300 0.032 0.000 1.038 195 V CB 1.308 33.139 31.823 0.013 0.000 0.980 195 V HN 0.313 nan 8.190 nan 0.000 0.481 196 I N 5.751 126.364 120.570 0.071 0.000 2.436 196 I HA 0.275 4.445 4.170 -0.000 0.000 0.289 196 I C -0.000 176.214 176.117 0.162 0.000 1.083 196 I CA 0.426 61.784 61.300 0.096 0.000 1.372 196 I CB 0.894 38.930 38.000 0.061 0.000 1.408 196 I HN 0.503 nan 8.210 nan 0.000 0.516 197 V N 6.263 126.250 119.914 0.122 0.000 2.789 197 V HA 0.591 4.711 4.120 -0.000 0.000 0.311 197 V C -0.886 175.232 176.094 0.040 0.000 1.073 197 V CA -0.610 61.724 62.300 0.057 0.000 0.921 197 V CB 2.094 33.853 31.823 -0.108 0.000 1.009 197 V HN 0.678 nan 8.190 nan 0.000 0.426 198 K N 4.287 124.589 120.400 -0.163 0.000 2.397 198 K HA 0.702 5.022 4.320 -0.000 0.000 0.253 198 K C -1.528 174.684 176.600 -0.647 0.000 0.932 198 K CA -0.759 55.284 56.287 -0.406 0.000 0.795 198 K CB 2.491 34.504 32.500 -0.812 0.000 1.159 198 K HN 0.636 nan 8.250 nan 0.000 0.424 199 V N 4.275 123.976 119.914 -0.356 0.000 2.350 199 V HA 0.334 4.454 4.120 -0.000 0.000 0.276 199 V C -0.862 175.048 176.094 -0.307 0.000 1.028 199 V CA -0.647 61.481 62.300 -0.288 0.000 0.860 199 V CB 0.212 32.033 31.823 -0.003 0.000 0.990 199 V HN 0.549 nan 8.190 nan 0.000 0.453 200 F N 3.829 123.698 119.950 -0.135 0.000 2.291 200 F HA 0.662 5.189 4.527 -0.000 0.000 0.368 200 F C 1.050 176.896 175.800 0.077 0.000 1.085 200 F CA -0.486 57.477 58.000 -0.062 0.000 1.165 200 F CB 0.998 39.831 39.000 -0.279 0.000 1.429 200 F HN 0.562 nan 8.300 nan 0.000 0.503 201 G N 2.321 111.315 108.800 0.324 0.000 2.532 201 G HA2 0.692 4.652 3.960 -0.000 0.000 0.291 201 G HA3 0.692 4.652 3.960 -0.000 0.000 0.291 201 G C -0.392 174.654 174.900 0.244 0.000 1.349 201 G CA -0.732 44.552 45.100 0.307 0.000 1.038 201 G HN 0.289 nan 8.290 nan 0.000 0.518 202 R N -1.071 119.550 120.500 0.203 0.000 2.725 202 R HA 0.414 4.754 4.340 -0.000 0.000 0.277 202 R C 0.373 176.745 176.300 0.118 0.000 0.987 202 R CA 0.096 56.292 56.100 0.160 0.000 0.901 202 R CB 1.345 31.745 30.300 0.168 0.000 1.207 202 R HN 1.357 nan 8.270 nan 0.000 0.463 203 S N -0.509 115.244 115.700 0.089 0.000 3.380 203 S HA -0.241 4.229 4.470 -0.000 0.000 0.300 203 S C 0.939 175.573 174.600 0.056 0.000 1.255 203 S CA 2.129 60.369 58.200 0.066 0.000 0.963 203 S CB -1.782 61.460 63.200 0.069 0.000 1.106 203 S HN 1.681 nan 8.310 nan 0.000 0.629 204 G N -0.753 108.076 108.800 0.049 0.000 2.199 204 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 204 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 204 G C 0.232 175.176 174.900 0.073 0.000 0.982 204 G CA 0.317 45.438 45.100 0.034 0.000 0.632 204 G HN 1.745 nan 8.290 nan 0.000 0.529 205 S N -0.247 115.517 115.700 0.107 0.000 2.546 205 S HA 0.408 4.878 4.470 -0.000 0.000 0.290 205 S C 0.301 175.031 174.600 0.217 0.000 1.290 205 S CA 0.540 58.821 58.200 0.136 0.000 1.069 205 S CB 1.668 64.945 63.200 0.129 0.000 0.846 205 S HN 0.998 nan 8.310 nan 0.000 0.495 206 V N 2.569 122.594 119.914 0.186 0.000 2.445 206 V HA 0.561 4.681 4.120 -0.000 0.000 0.283 206 V C 0.365 176.539 176.094 0.134 0.000 1.014 206 V CA -0.413 62.024 62.300 0.229 0.000 0.852 206 V CB 0.572 32.537 31.823 0.238 0.000 1.021 206 V HN 1.180 nan 8.190 nan 0.000 0.435 207 A N 4.761 127.644 122.820 0.105 0.000 2.704 207 A HA -0.251 4.069 4.320 -0.000 0.000 0.299 207 A C 1.308 178.942 177.584 0.083 0.000 1.507 207 A CA 1.229 53.319 52.037 0.088 0.000 0.776 207 A CB -1.757 17.326 19.000 0.138 0.000 1.027 207 A HN 1.511 nan 8.150 nan 0.000 0.475 208 N N -3.454 115.293 118.700 0.078 0.000 2.900 208 N HA -0.209 4.531 4.740 -0.000 0.000 0.240 208 N C 0.144 175.695 175.510 0.069 0.000 0.953 208 N CA 1.673 54.764 53.050 0.069 0.000 0.950 208 N CB -1.770 36.754 38.487 0.061 0.000 1.102 208 N HN 0.882 nan 8.380 nan 0.000 0.593 209 L N 0.886 122.154 121.223 0.075 0.000 2.543 209 L HA -0.108 4.232 4.340 -0.000 0.000 0.285 209 L C 1.814 178.726 176.870 0.069 0.000 1.236 209 L CA 0.879 55.763 54.840 0.074 0.000 0.871 209 L CB 0.256 42.351 42.059 0.058 0.000 1.121 209 L HN 0.217 nan 8.230 nan 0.000 0.501 210 Q N 0.517 120.361 119.800 0.073 0.000 2.402 210 Q HA 0.018 4.358 4.340 -0.000 0.000 0.231 210 Q C -0.093 175.949 176.000 0.069 0.000 0.888 210 Q CA -0.044 55.795 55.803 0.060 0.000 0.938 210 Q CB 0.536 29.297 28.738 0.038 0.000 1.086 210 Q HN 0.683 nan 8.270 nan 0.000 0.543 211 D N 0.604 121.063 120.400 0.098 0.000 2.383 211 D HA -0.061 4.579 4.640 -0.000 0.000 0.252 211 D C 0.857 177.205 176.300 0.080 0.000 1.166 211 D CA 0.077 54.142 54.000 0.109 0.000 0.879 211 D CB 1.143 42.035 40.800 0.153 0.000 1.164 211 D HN -0.053 nan 8.370 nan 0.000 0.462 212 E N 3.359 123.601 120.200 0.069 0.000 2.058 212 E HA -0.199 4.150 4.350 -0.000 0.000 0.194 212 E C 0.481 177.112 176.600 0.053 0.000 0.997 212 E CA 1.191 57.623 56.400 0.053 0.000 0.801 212 E CB -0.141 29.586 29.700 0.045 0.000 0.746 212 E HN 0.702 nan 8.360 nan 0.000 0.450 216 R N 0.832 121.347 120.500 0.025 0.000 2.075 216 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 216 R C 2.055 178.362 176.300 0.011 0.000 1.126 216 R CA 1.685 57.792 56.100 0.011 0.000 0.963 216 R CB -0.590 29.722 30.300 0.019 0.000 0.858 216 R HN 0.303 nan 8.270 nan 0.000 0.435 217 Y N 1.552 121.808 120.300 -0.073 0.000 2.181 217 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 217 Y C 2.362 178.159 175.900 -0.172 0.000 1.146 217 Y CA 1.778 59.839 58.100 -0.065 0.000 1.164 217 Y CB -0.205 38.258 38.460 0.004 0.000 0.982 217 Y HN 0.106 nan 8.280 nan 0.000 0.515 218 A N 0.099 122.796 122.820 -0.205 0.000 1.902 218 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 218 A C 2.195 179.513 177.584 -0.444 0.000 1.181 218 A CA 1.841 53.377 52.037 -0.835 0.000 0.623 218 A CB -0.906 17.355 19.000 -1.232 0.000 0.818 218 A HN 0.672 nan 8.150 nan 0.000 0.443 219 E N -0.163 119.991 120.200 -0.078 0.000 2.051 219 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 219 E C 2.070 178.661 176.600 -0.014 0.000 0.991 219 E CA 1.505 57.997 56.400 0.153 0.000 0.799 219 E CB -0.155 29.553 29.700 0.014 0.000 0.748 219 E HN 0.597 nan 8.360 nan 0.000 0.449 220 K N -0.371 119.945 120.400 -0.141 0.000 2.032 220 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 220 K C 2.123 178.596 176.600 -0.212 0.000 1.048 220 K CA 1.970 58.146 56.287 -0.185 0.000 0.927 220 K CB -0.094 32.271 32.500 -0.225 0.000 0.712 220 K HN 0.143 nan 8.250 nan 0.000 0.441 221 T N 0.799 115.174 114.554 -0.300 0.000 2.652 221 T HA -0.140 4.209 4.350 -0.000 0.000 0.267 221 T C 1.562 176.175 174.700 -0.144 0.000 1.039 221 T CA 1.573 63.526 62.100 -0.245 0.000 1.153 221 T CB -0.405 68.369 68.868 -0.158 0.000 0.863 221 T HN 0.100 nan 8.240 nan 0.000 0.428 222 F N 2.180 122.075 119.950 -0.091 0.000 2.154 222 F HA -0.074 4.453 4.527 -0.000 0.000 0.301 222 F C 2.402 177.850 175.800 -0.586 0.000 1.087 222 F CA 0.316 58.100 58.000 -0.360 0.000 1.274 222 F CB -0.939 37.816 39.000 -0.408 0.000 1.009 222 F HN 0.182 nan 8.300 nan 0.000 0.485 223 N N 0.348 118.946 118.700 -0.170 0.000 2.453 223 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 223 N C 1.425 176.860 175.510 -0.126 0.000 1.041 223 N CA 0.661 53.590 53.050 -0.200 0.000 0.900 223 N CB -0.224 38.162 38.487 -0.167 0.000 0.961 223 N HN 0.468 nan 8.380 nan 0.000 0.443 224 E N 0.243 120.389 120.200 -0.089 0.000 2.418 224 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 224 E C 1.372 177.988 176.600 0.027 0.000 1.026 224 E CA 0.547 56.932 56.400 -0.024 0.000 0.862 224 E CB 0.277 29.969 29.700 -0.014 0.000 0.799 224 E HN 0.402 nan 8.360 nan 0.000 0.518 225 E N -0.819 119.380 120.200 -0.002 0.000 2.357 225 E HA 0.082 4.432 4.350 -0.000 0.000 0.202 225 E C -0.284 176.428 176.600 0.186 0.000 0.855 225 E CA 0.045 56.508 56.400 0.104 0.000 1.048 225 E CB 0.671 30.454 29.700 0.138 0.000 1.037 225 E HN 0.098 nan 8.360 nan 0.000 0.499 226 F N -1.724 118.273 119.950 0.078 0.000 2.613 226 F HA 0.397 4.924 4.527 -0.000 0.000 0.310 226 F C -1.031 174.841 175.800 0.121 0.000 1.085 226 F CA -1.611 56.435 58.000 0.078 0.000 0.945 226 F CB 0.384 39.391 39.000 0.011 0.000 1.298 226 F HN -0.183 nan 8.300 nan 0.000 0.455 227 Y N 3.332 123.726 120.300 0.156 0.000 2.729 227 Y HA 0.310 4.860 4.550 -0.000 0.000 0.331 227 Y C -1.203 174.759 175.900 0.104 0.000 1.208 227 Y CA 0.099 58.234 58.100 0.058 0.000 1.521 227 Y CB 0.210 38.682 38.460 0.021 0.000 1.233 227 Y HN 0.633 nan 8.280 nan 0.000 0.539 228 F N 7.485 127.215 119.950 -0.366 0.000 2.653 228 F HA 0.300 4.827 4.527 -0.000 0.000 0.327 228 F C -1.957 173.663 175.800 -0.301 0.000 1.195 228 F CA -1.420 56.440 58.000 -0.233 0.000 0.993 228 F CB 1.029 39.924 39.000 -0.175 0.000 1.259 228 F HN 0.446 nan 8.300 nan 0.000 0.478 229 D N 4.801 124.916 120.400 -0.476 0.000 2.453 229 D HA 0.483 5.123 4.640 -0.000 0.000 0.238 229 D C 0.554 176.584 176.300 -0.449 0.000 1.088 229 D CA 0.041 53.766 54.000 -0.458 0.000 0.854 229 D CB 1.935 42.720 40.800 -0.025 0.000 1.076 229 D HN 0.688 nan 8.370 nan 0.000 0.533 230 A N 4.077 126.454 122.820 -0.739 0.000 2.168 230 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 230 A C 1.145 178.690 177.584 -0.065 0.000 1.152 230 A CA 0.833 52.649 52.037 -0.368 0.000 0.716 230 A CB 0.071 18.862 19.000 -0.348 0.000 0.794 230 A HN 0.469 nan 8.150 nan 0.000 0.465 231 K N 0.168 120.533 120.400 -0.058 0.000 3.084 231 K HA 0.441 4.761 4.320 -0.000 0.000 0.210 231 K C -0.227 176.424 176.600 0.086 0.000 1.137 231 K CA -0.104 56.196 56.287 0.022 0.000 1.010 231 K CB 0.954 33.449 32.500 -0.008 0.000 0.806 231 K HN 0.318 nan 8.250 nan 0.000 0.460 232 A N 1.464 124.379 122.820 0.158 0.000 2.425 232 A HA 0.262 4.582 4.320 -0.000 0.000 0.249 232 A C -0.147 177.569 177.584 0.219 0.000 1.084 232 A CA -0.156 52.038 52.037 0.262 0.000 0.781 232 A CB 0.275 19.534 19.000 0.431 0.000 1.019 232 A HN 0.404 nan 8.150 nan 0.000 0.490 233 R N 1.974 122.618 120.500 0.240 0.000 2.275 233 R HA 0.466 4.806 4.340 -0.000 0.000 0.326 233 R C -1.438 175.023 176.300 0.269 0.000 0.973 233 R CA -0.431 55.795 56.100 0.209 0.000 0.854 233 R CB 1.396 31.775 30.300 0.131 0.000 1.156 233 R HN 0.438 nan 8.270 nan 0.000 0.487 234 V N 4.958 124.929 119.914 0.095 0.000 2.513 234 V HA 0.309 4.429 4.120 -0.000 0.000 0.299 234 V C 1.198 177.148 176.094 -0.240 0.000 1.035 234 V CA -0.456 61.809 62.300 -0.058 0.000 0.889 234 V CB 1.943 33.708 31.823 -0.095 0.000 0.988 234 V HN 0.729 nan 8.190 nan 0.000 0.440 235 I N 2.245 122.690 120.570 -0.209 0.000 2.499 235 I HA 0.116 4.286 4.170 -0.000 0.000 0.243 235 I C 0.792 176.702 176.117 -0.345 0.000 1.085 235 I CA 0.872 62.038 61.300 -0.224 0.000 1.422 235 I CB 0.490 38.403 38.000 -0.145 0.000 1.165 235 I HN 0.778 nan 8.210 nan 0.000 0.440 236 S N 0.018 115.560 115.700 -0.264 0.000 2.552 236 S HA 0.428 4.898 4.470 -0.000 0.000 0.272 236 S C -0.515 174.055 174.600 -0.050 0.000 1.150 236 S CA -0.676 57.435 58.200 -0.148 0.000 0.849 236 S CB 1.759 64.918 63.200 -0.068 0.000 1.113 236 S HN 0.184 nan 8.310 nan 0.000 0.458 237 T N -0.065 114.513 114.554 0.040 0.000 3.068 237 T HA 0.613 4.963 4.350 -0.000 0.000 0.364 237 T C -0.623 174.087 174.700 0.016 0.000 1.161 237 T CA -0.417 61.689 62.100 0.009 0.000 1.155 237 T CB -0.445 68.351 68.868 -0.120 0.000 1.060 237 T HN 0.670 nan 8.240 nan 0.000 0.513 238 I N 2.319 122.903 120.570 0.022 0.000 2.362 238 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 238 I C 0.569 176.691 176.117 0.009 0.000 0.994 238 I CA -0.928 60.380 61.300 0.013 0.000 1.158 238 I CB 1.790 39.797 38.000 0.010 0.000 1.315 238 I HN 0.656 nan 8.210 nan 0.000 0.451 239 E N 6.999 127.198 120.200 -0.002 0.000 2.465 239 E HA 0.044 4.394 4.350 -0.000 0.000 0.260 239 E C -0.494 176.101 176.600 -0.009 0.000 0.980 239 E CA 0.158 56.553 56.400 -0.009 0.000 0.927 239 E CB 0.695 30.386 29.700 -0.015 0.000 0.934 239 E HN 0.380 nan 8.360 nan 0.000 0.459 240 K N 3.422 123.813 120.400 -0.015 0.000 2.092 240 K HA 0.159 4.479 4.320 -0.000 0.000 0.256 240 K C 0.824 177.409 176.600 -0.026 0.000 1.041 240 K CA -0.528 55.749 56.287 -0.016 0.000 1.070 240 K CB -0.269 32.223 32.500 -0.013 0.000 1.707 240 K HN 0.379 nan 8.250 nan 0.000 0.750 241 E N 1.211 121.395 120.200 -0.026 0.000 2.051 241 E HA -0.135 4.215 4.350 -0.000 0.000 0.189 241 E C 0.197 176.772 176.600 -0.041 0.000 0.979 241 E CA 1.701 58.084 56.400 -0.028 0.000 0.803 241 E CB 0.085 29.772 29.700 -0.023 0.000 0.761 241 E HN 0.577 nan 8.360 nan 0.000 0.451 242 D N -1.791 118.579 120.400 -0.051 0.000 2.620 242 D HA 0.424 5.064 4.640 -0.000 0.000 0.260 242 D C -0.313 175.924 176.300 -0.105 0.000 1.367 242 D CA -0.023 53.933 54.000 -0.073 0.000 0.805 242 D CB 0.397 41.163 40.800 -0.057 0.000 1.096 242 D HN 0.100 nan 8.370 nan 0.000 0.488 243 A N -0.796 121.970 122.820 -0.091 0.000 2.540 243 A HA 0.619 4.939 4.320 -0.000 0.000 0.291 243 A C -1.782 175.780 177.584 -0.035 0.000 1.083 243 A CA -0.773 51.214 52.037 -0.084 0.000 0.650 243 A CB 1.056 20.026 19.000 -0.050 0.000 1.292 243 A HN 0.108 nan 8.150 nan 0.000 0.435 244 V N 1.551 121.479 119.914 0.023 0.000 2.370 244 V HA 0.430 4.550 4.120 -0.000 0.000 0.283 244 V C 0.316 176.487 176.094 0.128 0.000 1.023 244 V CA -0.391 61.950 62.300 0.068 0.000 0.857 244 V CB 1.337 33.215 31.823 0.092 0.000 0.985 244 V HN 0.875 nan 8.190 nan 0.000 0.443 245 E N 4.478 124.730 120.200 0.086 0.000 2.217 245 E HA 0.336 4.686 4.350 -0.000 0.000 0.279 245 E C -1.211 175.472 176.600 0.138 0.000 1.068 245 E CA -0.349 56.111 56.400 0.100 0.000 0.882 245 E CB 1.259 30.985 29.700 0.043 0.000 1.039 245 E HN 0.499 nan 8.360 nan 0.000 0.418 246 V N 7.086 127.145 119.914 0.241 0.000 2.370 246 V HA 0.331 4.451 4.120 -0.000 0.000 0.283 246 V C 0.165 176.396 176.094 0.229 0.000 1.023 246 V CA -0.576 61.882 62.300 0.262 0.000 0.857 246 V CB 1.101 33.181 31.823 0.429 0.000 0.985 246 V HN 0.634 nan 8.190 nan 0.000 0.443 247 I N 6.979 127.604 120.570 0.091 0.000 2.362 247 I HA 0.609 4.778 4.170 -0.000 0.000 0.289 247 I C -0.584 175.496 176.117 -0.061 0.000 0.994 247 I CA -0.537 60.742 61.300 -0.036 0.000 1.158 247 I CB 1.185 39.113 38.000 -0.119 0.000 1.315 247 I HN 0.788 nan 8.210 nan 0.000 0.451 248 Y N 4.071 124.185 120.300 -0.310 0.000 2.705 248 Y HA 0.662 5.212 4.550 -0.000 0.000 0.332 248 Y C -1.963 173.703 175.900 -0.391 0.000 1.221 248 Y CA -1.859 56.048 58.100 -0.321 0.000 1.059 248 Y CB 0.913 39.144 38.460 -0.381 0.000 1.298 248 Y HN 0.203 nan 8.280 nan 0.000 0.459 249 F N 2.452 122.436 119.950 0.055 0.000 2.427 249 F HA 0.360 4.887 4.527 -0.000 0.000 0.346 249 F C 0.275 176.224 175.800 0.248 0.000 1.120 249 F CA -0.621 57.387 58.000 0.014 0.000 1.033 249 F CB 1.037 40.064 39.000 0.045 0.000 1.126 249 F HN 0.669 nan 8.300 nan 0.000 0.462 250 D N 1.882 122.456 120.400 0.289 0.000 2.356 250 D HA 0.050 4.690 4.640 -0.000 0.000 0.258 250 D C 0.616 177.157 176.300 0.401 0.000 1.279 250 D CA -0.298 54.005 54.000 0.506 0.000 1.016 250 D CB 0.517 41.538 40.800 0.368 0.000 1.107 250 D HN 0.465 nan 8.370 nan 0.000 0.544 251 K N -1.104 119.502 120.400 0.344 0.000 2.439 251 K HA -0.026 4.294 4.320 -0.000 0.000 0.197 251 K C 1.297 177.965 176.600 0.114 0.000 1.041 251 K CA 0.958 57.346 56.287 0.168 0.000 0.970 251 K CB -0.141 32.390 32.500 0.051 0.000 0.773 251 K HN 0.486 nan 8.250 nan 0.000 0.479 252 S N -0.819 114.961 115.700 0.133 0.000 2.557 252 S HA 0.203 4.672 4.470 -0.000 0.000 0.223 252 S C 1.136 175.796 174.600 0.100 0.000 0.969 252 S CA 0.064 58.318 58.200 0.091 0.000 0.927 252 S CB 0.596 63.844 63.200 0.080 0.000 0.806 252 S HN 0.356 nan 8.310 nan 0.000 0.489 253 G N 1.330 110.218 108.800 0.148 0.000 2.143 253 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.248 253 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.248 253 G C -0.279 174.791 174.900 0.284 0.000 0.991 253 G CA -0.161 45.038 45.100 0.165 0.000 0.689 253 G HN 0.532 nan 8.290 nan 0.000 0.522 254 Q N 0.205 120.141 119.800 0.226 0.000 2.256 254 Q HA 0.357 4.697 4.340 -0.000 0.000 0.254 254 Q C 0.398 176.410 176.000 0.019 0.000 0.916 254 Q CA -0.486 55.410 55.803 0.155 0.000 0.932 254 Q CB 1.495 30.268 28.738 0.060 0.000 1.207 254 Q HN 0.435 nan 8.270 nan 0.000 0.426 255 K N 1.905 122.239 120.400 -0.110 0.000 2.447 255 K HA 0.123 4.443 4.320 -0.000 0.000 0.281 255 K C -0.778 175.567 176.600 -0.425 0.000 1.031 255 K CA 0.555 56.509 56.287 -0.555 0.000 1.019 255 K CB 0.322 32.518 32.500 -0.507 0.000 0.918 255 K HN 0.512 nan 8.250 nan 0.000 0.476 256 T N 2.458 116.644 114.554 -0.614 0.000 2.886 256 T HA 0.238 4.588 4.350 -0.000 0.000 0.292 256 T C -0.827 173.589 174.700 -0.473 0.000 1.012 256 T CA -0.656 61.114 62.100 -0.550 0.000 0.982 256 T CB 1.867 70.242 68.868 -0.822 0.000 1.018 256 T HN 0.389 nan 8.240 nan 0.000 0.451 257 T N 2.840 117.261 114.554 -0.223 0.000 2.797 257 T HA 0.606 4.956 4.350 -0.000 0.000 0.279 257 T C -0.734 173.974 174.700 0.013 0.000 0.991 257 T CA -0.616 61.437 62.100 -0.079 0.000 0.979 257 T CB 1.302 70.125 68.868 -0.075 0.000 0.943 257 T HN 0.665 nan 8.240 nan 0.000 0.444 258 E N 1.697 121.973 120.200 0.127 0.000 2.304 258 E HA 0.427 4.777 4.350 -0.000 0.000 0.277 258 E C -1.165 175.462 176.600 0.045 0.000 0.898 258 E CA -0.545 55.901 56.400 0.077 0.000 0.764 258 E CB 1.430 31.262 29.700 0.220 0.000 1.216 258 E HN 0.497 nan 8.360 nan 0.000 0.419 259 S N 3.057 118.681 115.700 -0.128 0.000 2.537 259 S HA 0.516 4.985 4.470 -0.000 0.000 0.275 259 S C -0.918 173.509 174.600 -0.288 0.000 1.272 259 S CA -0.318 57.831 58.200 -0.086 0.000 1.050 259 S CB 0.228 63.380 63.200 -0.081 0.000 0.961 259 S HN 0.300 nan 8.310 nan 0.000 0.496 260 F N 0.877 120.851 119.950 0.041 0.000 2.551 260 F HA 0.374 4.901 4.527 -0.000 0.000 0.316 260 F C 1.375 177.163 175.800 -0.019 0.000 1.089 260 F CA -0.801 57.221 58.000 0.037 0.000 0.915 260 F CB 1.747 40.801 39.000 0.090 0.000 1.186 260 F HN 0.528 nan 8.300 nan 0.000 0.456 261 Q N 1.277 121.151 119.800 0.124 0.000 2.084 261 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 261 Q C -0.742 175.048 176.000 -0.350 0.000 0.978 261 Q CA 1.804 57.541 55.803 -0.111 0.000 0.844 261 Q CB 0.210 28.907 28.738 -0.069 0.000 0.898 261 Q HN 0.646 nan 8.270 nan 0.000 0.426 262 Y N -2.393 117.976 120.300 0.114 0.000 2.665 262 Y HA 0.565 5.115 4.550 -0.000 0.000 0.336 262 Y C -0.814 175.133 175.900 0.077 0.000 1.085 262 Y CA -1.159 56.979 58.100 0.064 0.000 1.096 262 Y CB 1.782 40.248 38.460 0.010 0.000 1.301 262 Y HN -0.334 nan 8.280 nan 0.000 0.493 263 V N 2.131 122.186 119.914 0.235 0.000 2.656 263 V HA 0.482 4.602 4.120 -0.000 0.000 0.307 263 V C -1.502 174.651 176.094 0.098 0.000 1.051 263 V CA -0.756 61.649 62.300 0.174 0.000 0.893 263 V CB 2.186 34.090 31.823 0.135 0.000 0.999 263 V HN 0.516 nan 8.190 nan 0.000 0.426 264 L N 5.000 126.280 121.223 0.095 0.000 2.319 264 L HA 0.852 5.192 4.340 -0.000 0.000 0.281 264 L C 0.281 177.185 176.870 0.057 0.000 1.005 264 L CA -0.200 54.642 54.840 0.004 0.000 0.828 264 L CB 1.330 43.347 42.059 -0.071 0.000 1.227 264 L HN 0.741 nan 8.230 nan 0.000 0.415 265 A N 4.561 127.373 122.820 -0.013 0.000 2.451 265 A HA 0.620 4.940 4.320 -0.000 0.000 0.266 265 A C 0.544 178.161 177.584 0.054 0.000 1.119 265 A CA 0.334 52.386 52.037 0.024 0.000 0.786 265 A CB 0.091 19.061 19.000 -0.049 0.000 1.061 265 A HN 1.183 nan 8.150 nan 0.000 0.503 266 A N 2.852 125.727 122.820 0.091 0.000 2.812 266 A HA 0.455 4.775 4.320 -0.000 0.000 0.294 266 A C 0.848 178.492 177.584 0.100 0.000 1.014 266 A CA 0.369 52.448 52.037 0.070 0.000 1.024 266 A CB -0.516 18.504 19.000 0.033 0.000 1.162 266 A HN 1.044 nan 8.150 nan 0.000 0.511 267 T N -2.068 112.555 114.554 0.115 0.000 3.251 267 T HA 0.492 4.842 4.350 -0.000 0.000 0.259 267 T C 0.765 175.517 174.700 0.088 0.000 0.998 267 T CA 0.146 62.316 62.100 0.117 0.000 0.905 267 T CB -0.329 68.614 68.868 0.125 0.000 1.067 267 T HN 1.872 nan 8.240 nan 0.000 0.569 268 G N 1.971 110.816 108.800 0.076 0.000 3.307 268 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 268 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 268 G C -0.534 174.391 174.900 0.042 0.000 0.983 268 G CA -1.271 43.864 45.100 0.057 0.000 0.804 268 G HN 0.643 nan 8.290 nan 0.000 0.531 269 R N 0.919 121.442 120.500 0.038 0.000 2.615 269 R HA 0.494 4.834 4.340 -0.000 0.000 0.270 269 R C 0.489 176.795 176.300 0.009 0.000 1.081 269 R CA -0.231 55.885 56.100 0.027 0.000 1.154 269 R CB 0.947 31.267 30.300 0.034 0.000 1.063 269 R HN 0.557 nan 8.270 nan 0.000 0.519 270 K N 0.919 121.316 120.400 -0.006 0.000 2.274 270 K HA 0.355 4.675 4.320 -0.000 0.000 0.262 270 K C -0.884 175.710 176.600 -0.010 0.000 0.961 270 K CA -0.443 55.834 56.287 -0.017 0.000 0.833 270 K CB 1.671 34.145 32.500 -0.043 0.000 1.102 270 K HN 0.702 nan 8.250 nan 0.000 0.436 271 A N 3.813 126.629 122.820 -0.007 0.000 2.511 271 A HA 0.070 4.390 4.320 -0.000 0.000 0.242 271 A C -0.470 177.109 177.584 -0.008 0.000 1.069 271 A CA -0.093 51.939 52.037 -0.008 0.000 0.763 271 A CB -0.247 18.744 19.000 -0.014 0.000 1.001 271 A HN 0.956 nan 8.150 nan 0.000 0.498 272 N N 1.346 120.047 118.700 0.001 0.000 3.050 272 N HA 0.290 5.030 4.740 -0.000 0.000 0.289 272 N C 0.441 175.961 175.510 0.016 0.000 1.209 272 N CA 0.090 53.146 53.050 0.009 0.000 1.154 272 N CB 0.416 38.921 38.487 0.030 0.000 1.444 272 N HN 0.556 nan 8.380 nan 0.000 0.529 273 V N -2.651 117.264 119.914 0.002 0.000 3.337 273 V HA 0.166 4.286 4.120 -0.000 0.000 0.307 273 V C 0.752 176.843 176.094 -0.006 0.000 1.505 273 V CA -0.249 62.053 62.300 0.004 0.000 1.072 273 V CB 0.324 32.137 31.823 -0.016 0.000 0.929 273 V HN 0.299 nan 8.190 nan 0.000 0.455 274 D N 0.817 121.209 120.400 -0.012 0.000 2.367 274 D HA 0.042 4.682 4.640 -0.000 0.000 0.207 274 D C 1.185 177.474 176.300 -0.018 0.000 1.034 274 D CA 0.296 54.283 54.000 -0.021 0.000 0.861 274 D CB 0.413 41.194 40.800 -0.033 0.000 0.943 274 D HN 0.454 nan 8.370 nan 0.000 0.515 275 K N 0.009 120.402 120.400 -0.011 0.000 2.537 275 K HA 0.378 4.698 4.320 -0.000 0.000 0.206 275 K C 0.977 177.592 176.600 0.025 0.000 1.041 275 K CA -0.046 56.231 56.287 -0.015 0.000 1.090 275 K CB 0.681 33.146 32.500 -0.059 0.000 0.833 275 K HN 0.029 nan 8.250 nan 0.000 0.493 276 L N -0.549 120.715 121.223 0.069 0.000 2.607 276 L HA 0.230 4.570 4.340 -0.000 0.000 0.228 276 L C 0.773 177.775 176.870 0.220 0.000 1.123 276 L CA 0.140 55.080 54.840 0.165 0.000 0.890 276 L CB 0.085 42.293 42.059 0.249 0.000 1.103 276 L HN 0.420 nan 8.230 nan 0.000 0.468 277 G N 0.962 109.830 108.800 0.114 0.000 2.246 277 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.273 277 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.273 277 G C 0.758 175.705 174.900 0.077 0.000 1.055 277 G CA 0.137 45.298 45.100 0.102 0.000 0.851 277 G HN 0.335 nan 8.290 nan 0.000 0.500 278 L N -0.827 120.388 121.223 -0.014 0.000 2.362 278 L HA -0.036 4.304 4.340 -0.000 0.000 0.219 278 L C 2.501 179.294 176.870 -0.128 0.000 1.134 278 L CA 1.689 56.428 54.840 -0.169 0.000 0.807 278 L CB -0.297 41.648 42.059 -0.190 0.000 0.927 278 L HN 0.403 nan 8.230 nan 0.000 0.447 279 E N -0.212 119.952 120.200 -0.059 0.000 2.338 279 E HA -0.130 4.220 4.350 -0.000 0.000 0.197 279 E C 1.238 177.819 176.600 -0.033 0.000 1.007 279 E CA 0.562 56.936 56.400 -0.044 0.000 0.849 279 E CB -0.244 29.442 29.700 -0.023 0.000 0.774 279 E HN 0.410 nan 8.360 nan 0.000 0.506 280 N N 0.771 119.460 118.700 -0.018 0.000 2.314 280 N HA 0.008 4.748 4.740 -0.000 0.000 0.200 280 N C -0.031 175.473 175.510 -0.011 0.000 1.135 280 N CA 0.604 53.660 53.050 0.011 0.000 0.835 280 N CB 0.493 39.017 38.487 0.063 0.000 0.989 280 N HN 0.280 nan 8.380 nan 0.000 0.478 281 T N -3.325 111.178 114.554 -0.086 0.000 2.887 281 T HA 0.294 4.644 4.350 -0.000 0.000 0.292 281 T C 0.829 175.459 174.700 -0.118 0.000 1.087 281 T CA -0.732 61.290 62.100 -0.129 0.000 1.009 281 T CB 1.685 70.374 68.868 -0.298 0.000 1.203 281 T HN -0.051 nan 8.240 nan 0.000 0.518 282 S N 0.170 115.804 115.700 -0.110 0.000 2.634 282 S HA 0.255 4.725 4.470 -0.000 0.000 0.221 282 S C 0.598 175.129 174.600 -0.114 0.000 0.952 282 S CA -0.663 57.483 58.200 -0.089 0.000 0.930 282 S CB -1.085 62.079 63.200 -0.059 0.000 0.780 282 S HN 0.673 nan 8.310 nan 0.000 0.498 283 I N 2.990 123.461 120.570 -0.165 0.000 2.742 283 I HA -0.016 4.153 4.170 -0.000 0.000 0.287 283 I C 0.499 176.548 176.117 -0.114 0.000 1.186 283 I CA 0.368 61.567 61.300 -0.168 0.000 1.417 283 I CB 0.237 38.095 38.000 -0.237 0.000 1.377 283 I HN 0.335 nan 8.210 nan 0.000 0.556 284 E N 6.064 126.212 120.200 -0.086 0.000 2.344 284 E HA 0.286 4.636 4.350 -0.000 0.000 0.270 284 E C -0.856 175.717 176.600 -0.045 0.000 1.021 284 E CA -0.538 55.827 56.400 -0.059 0.000 0.887 284 E CB 0.936 30.606 29.700 -0.049 0.000 0.997 284 E HN 0.257 nan 8.360 nan 0.000 0.429 285 L N 3.158 124.358 121.223 -0.038 0.000 2.333 285 L HA 0.249 4.588 4.340 -0.000 0.000 0.269 285 L C -0.051 176.809 176.870 -0.017 0.000 1.010 285 L CA -0.629 54.195 54.840 -0.026 0.000 0.818 285 L CB 1.447 43.486 42.059 -0.033 0.000 1.306 285 L HN 0.556 nan 8.230 nan 0.000 0.430 286 D N 0.580 120.977 120.400 -0.005 0.000 2.433 286 D HA 0.115 4.755 4.640 -0.000 0.000 0.255 286 D C 0.716 177.011 176.300 -0.008 0.000 1.226 286 D CA -0.400 53.597 54.000 -0.005 0.000 1.015 286 D CB 0.476 41.278 40.800 0.003 0.000 1.091 286 D HN 0.568 nan 8.370 nan 0.000 0.527 287 K N -0.789 119.606 120.400 -0.007 0.000 2.360 287 K HA -0.137 4.182 4.320 -0.000 0.000 0.201 287 K C 0.761 177.357 176.600 -0.005 0.000 1.046 287 K CA 0.886 57.168 56.287 -0.007 0.000 0.945 287 K CB -0.119 32.377 32.500 -0.006 0.000 0.750 287 K HN 0.019 nan 8.250 nan 0.000 0.464 288 K N 1.121 121.520 120.400 -0.002 0.000 2.493 288 K HA 0.176 4.496 4.320 -0.000 0.000 0.207 288 K C -0.777 175.821 176.600 -0.005 0.000 1.033 288 K CA -0.044 56.242 56.287 -0.002 0.000 1.161 288 K CB -0.190 32.312 32.500 0.004 0.000 0.873 288 K HN 0.393 nan 8.250 nan 0.000 0.491 289 N N -0.623 118.072 118.700 -0.008 0.000 2.741 289 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 289 N C -1.074 174.429 175.510 -0.010 0.000 1.112 289 N CA 0.498 53.539 53.050 -0.014 0.000 0.750 289 N CB -0.999 37.476 38.487 -0.020 0.000 1.119 289 N HN 0.050 nan 8.380 nan 0.000 0.561 290 S N 1.095 116.798 115.700 0.005 0.000 2.523 290 S HA 0.312 4.782 4.470 -0.000 0.000 0.275 290 S C -2.141 172.478 174.600 0.031 0.000 1.281 290 S CA -0.887 57.325 58.200 0.020 0.000 1.050 290 S CB 1.159 64.388 63.200 0.049 0.000 0.937 290 S HN -0.003 nan 8.310 nan 0.000 0.492 291 P HA 0.109 nan 4.420 nan 0.000 0.267 291 P C -0.481 176.905 177.300 0.142 0.000 1.205 291 P CA -0.089 63.028 63.100 0.029 0.000 0.765 291 P CB 0.282 31.971 31.700 -0.020 0.000 0.828 292 L N 4.803 126.082 121.223 0.094 0.000 2.426 292 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 292 L C 0.465 177.451 176.870 0.193 0.000 1.169 292 L CA 0.150 55.050 54.840 0.100 0.000 0.836 292 L CB -0.352 41.705 42.059 -0.004 0.000 1.112 292 L HN 0.457 nan 8.230 nan 0.000 0.465 293 F N -0.467 119.455 119.950 -0.046 0.000 2.678 293 F HA 0.362 4.889 4.527 -0.000 0.000 0.308 293 F C -0.877 174.906 175.800 -0.029 0.000 1.118 293 F CA -1.356 56.617 58.000 -0.045 0.000 0.959 293 F CB 1.091 40.074 39.000 -0.029 0.000 1.305 293 F HN 0.289 nan 8.300 nan 0.000 0.443 294 D N 2.217 122.604 120.400 -0.022 0.000 2.339 294 D HA 0.110 4.750 4.640 -0.000 0.000 0.256 294 D C 0.562 176.854 176.300 -0.014 0.000 1.214 294 D CA 0.330 54.278 54.000 -0.087 0.000 0.877 294 D CB 1.360 42.162 40.800 0.003 0.000 1.111 294 D HN 0.833 nan 8.370 nan 0.000 0.478 295 E N 2.533 122.616 120.200 -0.194 0.000 2.268 295 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 295 E C 1.534 178.191 176.600 0.095 0.000 0.995 295 E CA 0.573 56.952 56.400 -0.035 0.000 0.836 295 E CB 0.413 30.033 29.700 -0.132 0.000 0.763 295 E HN 0.589 nan 8.360 nan 0.000 0.491 296 L N -0.226 121.030 121.223 0.054 0.000 2.221 296 L HA -0.019 4.321 4.340 -0.000 0.000 0.202 296 L C 2.610 179.541 176.870 0.101 0.000 1.074 296 L CA 1.372 56.250 54.840 0.063 0.000 0.795 296 L CB -0.182 41.893 42.059 0.028 0.000 0.960 296 L HN 0.205 nan 8.230 nan 0.000 0.458 297 T N -3.747 110.884 114.554 0.128 0.000 3.037 297 T HA 0.162 4.512 4.350 -0.000 0.000 0.251 297 T C 1.218 176.095 174.700 0.295 0.000 1.079 297 T CA -0.145 62.064 62.100 0.183 0.000 1.067 297 T CB 0.240 69.207 68.868 0.165 0.000 0.948 297 T HN 0.200 nan 8.240 nan 0.000 0.496 298 L N -0.526 120.878 121.223 0.303 0.000 4.625 298 L HA -0.210 4.130 4.340 -0.000 0.000 0.428 298 L C 0.023 177.087 176.870 0.323 0.000 1.129 298 L CA 0.368 55.432 54.840 0.374 0.000 0.978 298 L CB -2.149 40.078 42.059 0.279 0.000 2.043 298 L HN 0.484 nan 8.230 nan 0.000 0.847 299 Q N 0.846 120.750 119.800 0.172 0.000 2.332 299 Q HA 0.303 4.643 4.340 -0.000 0.000 0.263 299 Q C 1.126 177.099 176.000 -0.046 0.000 0.979 299 Q CA 0.634 56.340 55.803 -0.163 0.000 0.885 299 Q CB 1.119 29.731 28.738 -0.211 0.000 1.218 299 Q HN 0.336 nan 8.270 nan 0.000 0.405 300 T N -1.784 112.685 114.554 -0.142 0.000 2.753 300 T HA 0.018 4.368 4.350 -0.000 0.000 0.309 300 T C 1.500 176.128 174.700 -0.120 0.000 1.043 300 T CA -0.092 61.959 62.100 -0.082 0.000 0.964 300 T CB 0.519 69.301 68.868 -0.143 0.000 1.206 300 T HN 0.685 nan 8.240 nan 0.000 0.528 301 S N -0.932 114.707 115.700 -0.103 0.000 2.419 301 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 301 S C 0.800 175.323 174.600 -0.128 0.000 1.019 301 S CA 0.330 58.471 58.200 -0.098 0.000 0.982 301 S CB -0.778 62.373 63.200 -0.081 0.000 0.789 301 S HN 0.581 nan 8.310 nan 0.000 0.490 302 V N 4.181 123.974 119.914 -0.202 0.000 2.385 302 V HA 0.190 4.309 4.120 -0.000 0.000 0.269 302 V C 1.073 176.954 176.094 -0.355 0.000 1.043 302 V CA -0.109 62.024 62.300 -0.279 0.000 0.906 302 V CB 1.137 32.717 31.823 -0.405 0.000 0.995 302 V HN 0.539 nan 8.190 nan 0.000 0.467 303 D N 3.318 123.602 120.400 -0.193 0.000 2.347 303 D HA -0.177 4.463 4.640 -0.000 0.000 0.215 303 D C 1.264 177.476 176.300 -0.147 0.000 0.976 303 D CA 0.998 54.930 54.000 -0.114 0.000 0.884 303 D CB -0.063 40.780 40.800 0.071 0.000 0.915 303 D HN 0.805 nan 8.370 nan 0.000 0.526 304 H N -0.664 118.267 119.070 -0.231 0.000 2.549 304 H HA 0.348 4.904 4.556 -0.000 0.000 0.279 304 H C -0.045 175.092 175.328 -0.318 0.000 1.018 304 H CA -0.484 55.331 56.048 -0.389 0.000 1.175 304 H CB 0.093 29.540 29.762 -0.524 0.000 1.485 304 H HN 0.094 nan 8.280 nan 0.000 0.543 305 I N 1.687 121.836 120.570 -0.701 0.000 2.418 305 I HA 0.275 4.445 4.170 -0.000 0.000 0.287 305 I C -1.062 174.784 176.117 -0.452 0.000 1.008 305 I CA -0.791 60.278 61.300 -0.385 0.000 1.104 305 I CB 1.318 39.108 38.000 -0.350 0.000 1.264 305 I HN -0.093 nan 8.210 nan 0.000 0.438 306 F N 5.332 125.275 119.950 -0.013 0.000 2.523 306 F HA 0.688 5.215 4.527 -0.000 0.000 0.329 306 F C -0.058 175.726 175.800 -0.028 0.000 1.061 306 F CA -1.109 56.890 58.000 -0.001 0.000 0.967 306 F CB 1.903 40.915 39.000 0.020 0.000 1.218 306 F HN 0.048 nan 8.300 nan 0.000 0.480 307 V N 1.696 121.669 119.914 0.098 0.000 2.569 307 V HA 0.880 5.000 4.120 -0.000 0.000 0.301 307 V C -1.351 174.663 176.094 -0.134 0.000 1.044 307 V CA -0.344 61.919 62.300 -0.062 0.000 0.874 307 V CB 1.270 32.974 31.823 -0.198 0.000 1.002 307 V HN 0.964 nan 8.190 nan 0.000 0.424 308 A N 4.749 127.522 122.820 -0.078 0.000 2.449 308 A HA 1.011 5.331 4.320 -0.000 0.000 0.302 308 A C 0.363 177.913 177.584 -0.057 0.000 1.048 308 A CA 0.218 52.220 52.037 -0.059 0.000 0.708 308 A CB 1.536 20.535 19.000 -0.002 0.000 1.274 308 A HN 2.567 nan 8.150 nan 0.000 0.410 309 G N 1.415 110.183 108.800 -0.053 0.000 2.512 309 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.240 309 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.240 309 G C 0.266 175.137 174.900 -0.047 0.000 1.246 309 G CA 0.678 45.758 45.100 -0.034 0.000 0.919 309 G HN 0.754 nan 8.290 nan 0.000 0.577 310 D N 0.722 121.108 120.400 -0.022 0.000 2.264 310 D HA 0.216 4.856 4.640 -0.000 0.000 0.208 310 D C 2.690 178.968 176.300 -0.037 0.000 0.966 310 D CA 2.039 56.029 54.000 -0.018 0.000 0.864 310 D CB -0.557 40.246 40.800 0.005 0.000 0.933 310 D HN 0.905 nan 8.370 nan 0.000 0.499 311 A N 1.520 124.312 122.820 -0.047 0.000 1.948 311 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 311 A C 1.694 179.205 177.584 -0.123 0.000 1.177 311 A CA 1.933 53.934 52.037 -0.061 0.000 0.636 311 A CB -0.697 18.276 19.000 -0.045 0.000 0.815 311 A HN 0.415 nan 8.150 nan 0.000 0.449 312 N N -1.482 117.086 118.700 -0.219 0.000 2.383 312 N HA -0.008 4.731 4.740 -0.000 0.000 0.192 312 N C 0.262 175.678 175.510 -0.155 0.000 1.141 312 N CA 0.678 53.487 53.050 -0.401 0.000 0.851 312 N CB -0.715 37.148 38.487 -1.041 0.000 0.976 312 N HN 0.382 nan 8.380 nan 0.000 0.465 313 N N -1.475 117.190 118.700 -0.058 0.000 2.714 313 N HA -0.180 4.560 4.740 -0.000 0.000 0.250 313 N C -1.418 174.130 175.510 0.063 0.000 1.117 313 N CA 1.442 54.501 53.050 0.016 0.000 0.719 313 N CB -1.399 37.109 38.487 0.034 0.000 1.081 313 N HN 0.481 nan 8.380 nan 0.000 0.557 314 T N -0.003 114.589 114.554 0.064 0.000 2.912 314 T HA 0.504 4.854 4.350 -0.000 0.000 0.299 314 T C 0.060 174.796 174.700 0.060 0.000 1.052 314 T CA -0.587 61.581 62.100 0.114 0.000 0.996 314 T CB 1.576 70.614 68.868 0.282 0.000 1.070 314 T HN 0.231 nan 8.240 nan 0.000 0.465 315 L N 1.852 123.103 121.223 0.046 0.000 3.965 315 L HA -0.165 4.175 4.340 -0.000 0.000 0.499 315 L C 0.848 177.711 176.870 -0.012 0.000 1.194 315 L CA 0.293 55.137 54.840 0.007 0.000 0.707 315 L CB -1.740 40.310 42.059 -0.014 0.000 1.414 315 L HN 0.919 nan 8.230 nan 0.000 0.802 316 T N -1.206 113.354 114.554 0.009 0.000 4.098 316 T HA 0.569 4.919 4.350 -0.000 0.000 0.291 316 T C -0.019 174.692 174.700 0.018 0.000 1.440 316 T CA -0.671 61.435 62.100 0.011 0.000 1.164 316 T CB 0.301 69.183 68.868 0.024 0.000 1.313 316 T HN 0.153 nan 8.240 nan 0.000 0.951 317 L N 2.195 123.413 121.223 -0.007 0.000 2.376 317 L HA 0.428 4.768 4.340 -0.000 0.000 0.258 317 L C 0.959 177.828 176.870 -0.002 0.000 1.013 317 L CA -1.327 53.524 54.840 0.018 0.000 0.822 317 L CB 1.636 43.700 42.059 0.008 0.000 1.388 317 L HN 0.218 nan 8.230 nan 0.000 0.413 318 L N 2.376 123.643 121.223 0.074 0.000 1.970 318 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 318 L C 2.478 179.396 176.870 0.080 0.000 1.071 318 L CA 2.185 57.072 54.840 0.079 0.000 0.751 318 L CB -0.732 41.390 42.059 0.105 0.000 0.889 318 L HN 0.995 nan 8.230 nan 0.000 0.432 319 H N -0.672 118.431 119.070 0.056 0.000 2.456 319 H HA -0.101 4.455 4.556 -0.000 0.000 0.296 319 H C 1.609 176.966 175.328 0.049 0.000 1.079 319 H CA 1.104 57.186 56.048 0.056 0.000 1.322 319 H CB -0.235 29.570 29.762 0.071 0.000 1.388 319 H HN 0.433 nan 8.280 nan 0.000 0.538 320 E N 1.283 121.159 120.200 -0.539 0.000 2.107 320 E HA -0.009 4.341 4.350 -0.000 0.000 0.191 320 E C 2.554 179.083 176.600 -0.117 0.000 0.982 320 E CA 0.909 57.106 56.400 -0.337 0.000 0.809 320 E CB -0.280 29.224 29.700 -0.325 0.000 0.756 320 E HN 0.594 nan 8.360 nan 0.000 0.459 321 A N 1.903 124.679 122.820 -0.073 0.000 1.940 321 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 321 A C 2.456 180.044 177.584 0.006 0.000 1.176 321 A CA 2.124 54.150 52.037 -0.019 0.000 0.631 321 A CB -0.601 18.400 19.000 0.002 0.000 0.814 321 A HN 0.273 nan 8.150 nan 0.000 0.446 322 A N 0.065 122.899 122.820 0.023 0.000 1.883 322 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 322 A C 1.801 179.406 177.584 0.034 0.000 1.186 322 A CA 1.991 54.055 52.037 0.045 0.000 0.624 322 A CB -0.673 18.371 19.000 0.073 0.000 0.822 322 A HN 0.461 nan 8.150 nan 0.000 0.444 323 D N 0.021 120.436 120.400 0.024 0.000 2.117 323 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 323 D C 1.432 177.741 176.300 0.015 0.000 0.987 323 D CA 1.417 55.430 54.000 0.021 0.000 0.829 323 D CB -0.505 40.305 40.800 0.017 0.000 0.961 323 D HN 0.380 nan 8.370 nan 0.000 0.460 324 D N -0.061 120.343 120.400 0.006 0.000 2.116 324 D HA -0.119 4.521 4.640 -0.000 0.000 0.193 324 D C 2.145 178.449 176.300 0.007 0.000 0.998 324 D CA 1.555 55.561 54.000 0.010 0.000 0.836 324 D CB -0.655 40.142 40.800 -0.005 0.000 0.951 324 D HN 0.285 nan 8.370 nan 0.000 0.449 325 G N 0.377 109.183 108.800 0.011 0.000 2.418 325 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.217 325 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.217 325 G C 1.626 176.526 174.900 -0.001 0.000 1.158 325 G CA 1.278 46.386 45.100 0.012 0.000 0.771 325 G HN 0.259 nan 8.290 nan 0.000 0.545 326 K N 0.439 120.844 120.400 0.008 0.000 2.032 326 K HA -0.046 4.274 4.320 -0.000 0.000 0.209 326 K C 2.421 179.012 176.600 -0.015 0.000 1.048 326 K CA 1.670 57.959 56.287 0.004 0.000 0.927 326 K CB -0.754 31.756 32.500 0.018 0.000 0.712 326 K HN 0.163 nan 8.250 nan 0.000 0.441 327 V N 0.869 120.777 119.914 -0.009 0.000 2.307 327 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 327 V C 2.423 178.471 176.094 -0.077 0.000 1.045 327 V CA 1.991 64.284 62.300 -0.012 0.000 1.024 327 V CB -0.882 30.960 31.823 0.032 0.000 0.651 327 V HN 0.542 nan 8.190 nan 0.000 0.449 328 A N 0.401 123.166 122.820 -0.092 0.000 1.898 328 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 328 A C 2.410 179.757 177.584 -0.395 0.000 1.181 328 A CA 1.854 53.744 52.037 -0.245 0.000 0.620 328 A CB -1.234 17.711 19.000 -0.092 0.000 0.819 328 A HN 0.523 nan 8.150 nan 0.000 0.442 329 G N -0.993 107.685 108.800 -0.202 0.000 2.418 329 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 329 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 329 G C 1.569 176.359 174.900 -0.183 0.000 1.158 329 G CA 1.687 46.689 45.100 -0.164 0.000 0.771 329 G HN 0.436 nan 8.290 nan 0.000 0.545 330 T N 1.328 115.788 114.554 -0.157 0.000 2.737 330 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 330 T C 2.364 176.858 174.700 -0.344 0.000 1.038 330 T CA 1.289 63.271 62.100 -0.197 0.000 1.144 330 T CB -0.230 68.596 68.868 -0.070 0.000 0.866 330 T HN 0.184 nan 8.240 nan 0.000 0.434 331 N N 1.277 119.797 118.700 -0.300 0.000 2.171 331 N HA 0.086 4.826 4.740 -0.000 0.000 0.184 331 N C 2.115 177.443 175.510 -0.303 0.000 1.021 331 N CA 1.206 54.113 53.050 -0.237 0.000 0.854 331 N CB -0.601 37.832 38.487 -0.090 0.000 0.994 331 N HN 0.405 nan 8.380 nan 0.000 0.426 332 A N 0.550 122.940 122.820 -0.716 0.000 1.902 332 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 332 A C 2.353 179.865 177.584 -0.120 0.000 1.181 332 A CA 1.910 53.702 52.037 -0.410 0.000 0.623 332 A CB -1.217 17.507 19.000 -0.459 0.000 0.818 332 A HN 0.345 nan 8.150 nan 0.000 0.443 333 G N -0.738 107.951 108.800 -0.185 0.000 2.418 333 G HA2 0.052 4.012 3.960 -0.000 0.000 0.217 333 G HA3 0.052 4.012 3.960 -0.000 0.000 0.217 333 G C 1.456 176.274 174.900 -0.137 0.000 1.158 333 G CA 1.269 46.300 45.100 -0.116 0.000 0.771 333 G HN 0.929 nan 8.290 nan 0.000 0.545 334 A N -1.014 121.612 122.820 -0.323 0.000 2.308 334 A HA 0.440 4.760 4.320 -0.000 0.000 0.217 334 A C 0.646 178.237 177.584 0.011 0.000 1.216 334 A CA -0.726 51.191 52.037 -0.201 0.000 0.864 334 A CB -0.379 18.397 19.000 -0.374 0.000 0.902 334 A HN 0.397 nan 8.150 nan 0.000 0.499 335 Y N 1.914 122.197 120.300 -0.029 0.000 2.904 335 Y HA 0.061 4.611 4.550 -0.000 0.000 0.336 335 Y C -1.115 174.816 175.900 0.051 0.000 1.263 335 Y CA -0.446 57.695 58.100 0.068 0.000 1.547 335 Y CB 0.841 39.404 38.460 0.171 0.000 1.272 335 Y HN 0.191 nan 8.280 nan 0.000 0.596 336 P HA 0.009 nan 4.420 nan 0.000 0.255 336 P C -0.545 176.552 177.300 -0.339 0.000 1.248 336 P CA 0.306 62.943 63.100 -0.773 0.000 0.807 336 P CB 0.127 31.475 31.700 -0.588 0.000 1.150 337 V N 3.001 122.827 119.914 -0.145 0.000 2.415 337 V HA 0.061 4.181 4.120 -0.000 0.000 0.267 337 V C 0.629 176.695 176.094 -0.047 0.000 1.042 337 V CA 0.325 62.578 62.300 -0.078 0.000 1.000 337 V CB 0.067 31.864 31.823 -0.042 0.000 1.015 337 V HN 0.022 nan 8.190 nan 0.000 0.478 338 I N 4.397 124.950 120.570 -0.028 0.000 2.474 338 I HA 0.767 4.937 4.170 -0.000 0.000 0.294 338 I C 0.294 176.424 176.117 0.023 0.000 1.005 338 I CA -0.381 60.937 61.300 0.030 0.000 1.113 338 I CB 1.718 39.755 38.000 0.061 0.000 1.289 338 I HN 0.623 nan 8.210 nan 0.000 0.436 339 A N 5.941 128.782 122.820 0.034 0.000 2.423 339 A HA 0.718 5.038 4.320 -0.000 0.000 0.304 339 A C -0.786 176.823 177.584 0.042 0.000 1.104 339 A CA -0.651 51.402 52.037 0.026 0.000 0.757 339 A CB 1.563 20.570 19.000 0.013 0.000 1.313 339 A HN 0.695 nan 8.150 nan 0.000 0.423 340 Q N 0.718 120.536 119.800 0.031 0.000 2.303 340 Q HA 0.474 4.814 4.340 -0.000 0.000 0.257 340 Q C 0.407 176.425 176.000 0.030 0.000 0.941 340 Q CA -0.462 55.362 55.803 0.035 0.000 0.931 340 Q CB 1.703 30.455 28.738 0.023 0.000 1.215 340 Q HN 0.890 nan 8.270 nan 0.000 0.437 341 G N 2.101 110.924 108.800 0.038 0.000 2.398 341 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.246 341 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.246 341 G C -0.520 174.394 174.900 0.023 0.000 1.289 341 G CA -0.201 44.918 45.100 0.031 0.000 0.869 341 G HN 0.562 nan 8.290 nan 0.000 0.543 342 Q N 1.493 121.303 119.800 0.016 0.000 2.430 342 Q HA 0.179 4.519 4.340 -0.000 0.000 0.245 342 Q C 0.013 176.020 176.000 0.011 0.000 1.021 342 Q CA -0.873 54.936 55.803 0.010 0.000 0.867 342 Q CB 0.465 29.205 28.738 0.003 0.000 1.210 342 Q HN 0.364 nan 8.270 nan 0.000 0.487 343 R N 2.328 122.837 120.500 0.015 0.000 2.594 343 R HA 0.208 4.548 4.340 -0.000 0.000 0.272 343 R C 0.048 176.360 176.300 0.020 0.000 1.074 343 R CA 0.021 56.133 56.100 0.020 0.000 1.105 343 R CB 0.212 30.525 30.300 0.021 0.000 1.008 343 R HN 0.607 nan 8.270 nan 0.000 0.472 344 R N 0.725 121.246 120.500 0.035 0.000 2.738 344 R HA 0.219 4.558 4.340 -0.000 0.000 0.268 344 R C 0.182 176.515 176.300 0.054 0.000 1.062 344 R CA -0.162 55.962 56.100 0.041 0.000 1.158 344 R CB 0.331 30.677 30.300 0.076 0.000 1.046 344 R HN 0.665 nan 8.270 nan 0.000 0.493 345 A N 3.817 126.668 122.820 0.051 0.000 2.567 345 A HA 0.120 4.440 4.320 -0.000 0.000 0.240 345 A C -1.918 175.718 177.584 0.087 0.000 1.053 345 A CA -0.910 51.165 52.037 0.063 0.000 0.755 345 A CB -0.470 18.582 19.000 0.085 0.000 0.978 345 A HN 0.402 nan 8.150 nan 0.000 0.507 346 P HA 0.236 nan 4.420 nan 0.000 0.264 346 P C -0.811 176.545 177.300 0.093 0.000 1.183 346 P CA 0.321 63.468 63.100 0.078 0.000 0.763 346 P CB 0.373 32.098 31.700 0.041 0.000 0.807 347 L N 3.158 124.453 121.223 0.121 0.000 2.516 347 L HA 0.543 4.883 4.340 -0.000 0.000 0.267 347 L C -0.905 176.028 176.870 0.105 0.000 0.957 347 L CA -0.189 54.694 54.840 0.072 0.000 0.860 347 L CB 1.617 43.664 42.059 -0.020 0.000 1.265 347 L HN 0.438 nan 8.230 nan 0.000 0.403 348 S N 3.412 119.142 115.700 0.051 0.000 2.548 348 S HA 0.971 5.441 4.470 -0.000 0.000 0.286 348 S C -1.093 173.485 174.600 -0.036 0.000 1.098 348 S CA -0.761 57.464 58.200 0.042 0.000 0.930 348 S CB 2.077 65.308 63.200 0.053 0.000 1.070 348 S HN 0.456 nan 8.310 nan 0.000 0.480 349 V N 1.665 121.520 119.914 -0.099 0.000 2.709 349 V HA 0.593 4.713 4.120 -0.000 0.000 0.308 349 V C -0.829 175.058 176.094 -0.345 0.000 1.062 349 V CA -0.713 61.405 62.300 -0.304 0.000 0.901 349 V CB 1.991 33.466 31.823 -0.580 0.000 1.003 349 V HN 0.870 nan 8.190 nan 0.000 0.425 350 V N 4.277 124.018 119.914 -0.289 0.000 2.417 350 V HA 0.433 4.553 4.120 -0.000 0.000 0.291 350 V C -0.408 175.562 176.094 -0.206 0.000 1.024 350 V CA -0.288 61.928 62.300 -0.140 0.000 0.861 350 V CB 1.481 33.320 31.823 0.028 0.000 0.985 350 V HN 0.772 nan 8.190 nan 0.000 0.436 351 F N 2.955 122.943 119.950 0.064 0.000 2.954 351 F HA 0.211 4.738 4.527 -0.000 0.000 0.300 351 F C 1.510 177.349 175.800 0.065 0.000 1.206 351 F CA -0.416 57.616 58.000 0.055 0.000 1.345 351 F CB -0.204 38.813 39.000 0.029 0.000 1.206 351 F HN 0.579 nan 8.300 nan 0.000 0.537 352 T N -2.933 111.748 114.554 0.211 0.000 2.810 352 T HA 0.337 4.687 4.350 -0.000 0.000 0.277 352 T C -0.269 174.584 174.700 0.256 0.000 0.973 352 T CA -0.835 61.406 62.100 0.235 0.000 0.949 352 T CB 1.822 70.907 68.868 0.362 0.000 1.075 352 T HN 0.328 nan 8.240 nan 0.000 0.537 353 E N 1.064 121.439 120.200 0.292 0.000 2.191 353 E HA 0.429 4.779 4.350 -0.000 0.000 0.263 353 E C -2.754 173.984 176.600 0.229 0.000 0.881 353 E CA -2.605 53.919 56.400 0.208 0.000 0.757 353 E CB 1.315 31.134 29.700 0.198 0.000 1.147 353 E HN 0.356 nan 8.360 nan 0.000 0.414 354 P HA -0.024 nan 4.420 nan 0.000 0.271 354 P C -0.796 176.425 177.300 -0.131 0.000 1.233 354 P CA -0.038 62.859 63.100 -0.338 0.000 0.789 354 P CB 0.525 31.621 31.700 -1.007 0.000 0.951 355 Q N -0.370 119.360 119.800 -0.116 0.000 2.317 355 Q HA 0.406 4.746 4.340 -0.000 0.000 0.229 355 Q C -0.701 175.352 176.000 0.087 0.000 0.984 355 Q CA -0.676 55.130 55.803 0.006 0.000 0.911 355 Q CB 0.708 29.401 28.738 -0.076 0.000 1.217 355 Q HN 0.161 nan 8.270 nan 0.000 0.501 356 V N 0.745 120.728 119.914 0.116 0.000 2.513 356 V HA 0.740 4.860 4.120 -0.000 0.000 0.299 356 V C -0.745 175.354 176.094 0.009 0.000 1.035 356 V CA -0.591 61.803 62.300 0.157 0.000 0.889 356 V CB 1.505 33.447 31.823 0.198 0.000 0.988 356 V HN 0.819 nan 8.190 nan 0.000 0.440 357 A N 3.360 126.202 122.820 0.038 0.000 2.393 357 A HA 0.879 5.199 4.320 -0.000 0.000 0.306 357 A C -0.450 177.174 177.584 0.065 0.000 1.050 357 A CA -0.528 51.514 52.037 0.009 0.000 0.724 357 A CB 1.772 20.766 19.000 -0.010 0.000 1.248 357 A HN 0.747 nan 8.150 nan 0.000 0.424 358 S N 0.421 116.156 115.700 0.057 0.000 2.500 358 S HA 0.746 5.216 4.470 -0.000 0.000 0.301 358 S C -0.683 173.965 174.600 0.079 0.000 1.092 358 S CA -0.629 57.622 58.200 0.085 0.000 1.030 358 S CB 1.667 64.913 63.200 0.077 0.000 1.031 358 S HN 0.784 nan 8.310 nan 0.000 0.483 359 V N 1.805 121.783 119.914 0.106 0.000 2.760 359 V HA 0.852 4.972 4.120 -0.000 0.000 0.309 359 V C 0.774 176.904 176.094 0.060 0.000 1.077 359 V CA 0.219 62.587 62.300 0.112 0.000 0.910 359 V CB 1.060 33.004 31.823 0.201 0.000 1.008 359 V HN 1.323 nan 8.190 nan 0.000 0.424 360 G N 3.727 112.546 108.800 0.031 0.000 2.552 360 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.265 360 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.265 360 G C -0.226 174.642 174.900 -0.054 0.000 1.234 360 G CA 0.025 45.100 45.100 -0.042 0.000 0.944 360 G HN 0.842 nan 8.290 nan 0.000 0.568 361 L N 1.483 122.643 121.223 -0.105 0.000 2.453 361 L HA 0.386 4.726 4.340 -0.000 0.000 0.272 361 L C 1.669 178.476 176.870 -0.105 0.000 1.182 361 L CA 0.232 55.007 54.840 -0.108 0.000 0.858 361 L CB 0.779 42.751 42.059 -0.145 0.000 1.120 361 L HN 0.945 nan 8.230 nan 0.000 0.474 362 S N 2.498 118.142 115.700 -0.092 0.000 2.600 362 S HA 0.080 4.550 4.470 -0.000 0.000 0.265 362 S C 0.900 175.375 174.600 -0.208 0.000 1.325 362 S CA -0.717 57.427 58.200 -0.092 0.000 1.002 362 S CB 1.025 64.192 63.200 -0.055 0.000 0.921 362 S HN 0.586 nan 8.310 nan 0.000 0.554 363 L N 1.170 122.247 121.223 -0.243 0.000 2.043 363 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 363 L C 2.700 179.415 176.870 -0.259 0.000 1.075 363 L CA 1.795 56.401 54.840 -0.391 0.000 0.752 363 L CB -0.742 41.163 42.059 -0.258 0.000 0.891 363 L HN 0.771 nan 8.230 nan 0.000 0.432 364 R N -0.744 119.671 120.500 -0.141 0.000 2.091 364 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 364 R C 2.274 178.508 176.300 -0.110 0.000 1.136 364 R CA 2.052 58.095 56.100 -0.096 0.000 0.959 364 R CB -0.407 29.860 30.300 -0.054 0.000 0.856 364 R HN 0.605 nan 8.270 nan 0.000 0.437 365 Q N -0.036 119.687 119.800 -0.127 0.000 2.230 365 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 365 Q C 2.042 177.948 176.000 -0.157 0.000 0.963 365 Q CA 0.942 56.671 55.803 -0.124 0.000 0.866 365 Q CB 0.078 28.749 28.738 -0.112 0.000 0.931 365 Q HN 0.375 nan 8.270 nan 0.000 0.452 366 I N 0.422 120.853 120.570 -0.231 0.000 2.277 366 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 366 I C 1.866 177.899 176.117 -0.139 0.000 1.094 366 I CA 1.076 62.214 61.300 -0.269 0.000 1.393 366 I CB -0.060 37.592 38.000 -0.581 0.000 1.078 366 I HN 0.165 nan 8.210 nan 0.000 0.417 367 E N 0.795 120.900 120.200 -0.159 0.000 2.110 367 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 367 E C 1.626 178.247 176.600 0.035 0.000 0.988 367 E CA 1.280 57.677 56.400 -0.005 0.000 0.804 367 E CB -0.051 29.642 29.700 -0.013 0.000 0.745 367 E HN 0.439 nan 8.360 nan 0.000 0.458 368 D N 0.900 121.283 120.400 -0.028 0.000 2.084 368 D HA -0.164 4.476 4.640 -0.000 0.000 0.194 368 D C 2.007 178.274 176.300 -0.055 0.000 0.990 368 D CA 0.641 54.620 54.000 -0.035 0.000 0.826 368 D CB -0.389 40.375 40.800 -0.060 0.000 0.971 368 D HN 0.101 nan 8.370 nan 0.000 0.453 369 L N -0.368 120.781 121.223 -0.123 0.000 2.129 369 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 369 L C 0.084 176.729 176.870 -0.374 0.000 1.087 369 L CA 1.207 55.878 54.840 -0.282 0.000 0.757 369 L CB -0.092 41.710 42.059 -0.428 0.000 0.896 369 L HN -0.004 nan 8.230 nan 0.000 0.434 370 Y N -0.739 119.555 120.300 -0.011 0.000 2.425 370 Y HA 0.307 4.856 4.550 -0.000 0.000 0.347 370 Y C 1.211 177.124 175.900 0.022 0.000 0.976 370 Y CA -0.210 57.906 58.100 0.027 0.000 1.190 370 Y CB 1.006 39.517 38.460 0.085 0.000 1.136 370 Y HN 0.044 nan 8.280 nan 0.000 0.517 371 A N 2.323 125.208 122.820 0.109 0.000 1.903 371 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 371 A C 0.722 178.358 177.584 0.086 0.000 1.191 371 A CA 2.039 54.117 52.037 0.068 0.000 0.638 371 A CB -0.514 18.513 19.000 0.045 0.000 0.823 371 A HN 0.760 nan 8.150 nan 0.000 0.451 372 D N -1.353 119.117 120.400 0.116 0.000 2.505 372 D HA 0.288 4.928 4.640 -0.000 0.000 0.242 372 D C 0.426 176.784 176.300 0.096 0.000 1.136 372 D CA -0.563 53.489 54.000 0.087 0.000 0.954 372 D CB 0.578 41.417 40.800 0.065 0.000 1.002 372 D HN 0.136 nan 8.370 nan 0.000 0.512 373 Q N 0.789 120.647 119.800 0.098 0.000 2.364 373 Q HA -0.124 4.216 4.340 -0.000 0.000 0.209 373 Q C 0.514 176.536 176.000 0.036 0.000 0.977 373 Q CA 0.986 56.845 55.803 0.095 0.000 0.885 373 Q CB 0.223 29.020 28.738 0.098 0.000 0.941 373 Q HN 0.501 nan 8.270 nan 0.000 0.464 374 D N 0.114 120.528 120.400 0.023 0.000 2.077 374 D HA -0.067 4.573 4.640 -0.000 0.000 0.196 374 D C 1.486 177.772 176.300 -0.022 0.000 0.986 374 D CA 1.510 55.509 54.000 -0.001 0.000 0.829 374 D CB -0.225 40.578 40.800 0.004 0.000 0.983 374 D HN 0.215 nan 8.370 nan 0.000 0.453 375 A N 0.513 123.327 122.820 -0.010 0.000 2.272 375 A HA 0.192 4.512 4.320 -0.000 0.000 0.213 375 A C 0.968 178.512 177.584 -0.067 0.000 1.183 375 A CA 1.210 53.233 52.037 -0.023 0.000 0.719 375 A CB -0.879 18.123 19.000 0.003 0.000 0.771 375 A HN 0.431 nan 8.150 nan 0.000 0.484 376 A N 0.073 122.830 122.820 -0.106 0.000 1.759 376 A HA -0.170 4.150 4.320 -0.000 0.000 0.234 376 A C 0.511 177.939 177.584 -0.259 0.000 1.288 376 A CA 0.866 52.767 52.037 -0.227 0.000 0.717 376 A CB -1.945 16.918 19.000 -0.228 0.000 1.193 376 A HN 0.793 nan 8.150 nan 0.000 0.250 377 N N 0.298 118.791 118.700 -0.345 0.000 2.214 377 N HA 0.284 5.024 4.740 -0.000 0.000 0.214 377 N C -0.063 175.189 175.510 -0.430 0.000 1.132 377 N CA 0.739 53.591 53.050 -0.329 0.000 0.856 377 N CB 0.451 38.828 38.487 -0.183 0.000 1.020 377 N HN 0.971 nan 8.380 nan 0.000 0.509 378 Y N -0.497 119.505 120.300 -0.496 0.000 2.576 378 Y HA 0.693 5.243 4.550 -0.000 0.000 0.346 378 Y C -0.509 175.339 175.900 -0.087 0.000 1.018 378 Y CA -1.485 56.453 58.100 -0.270 0.000 1.050 378 Y CB 0.944 39.239 38.460 -0.276 0.000 1.280 378 Y HN -0.183 nan 8.280 nan 0.000 0.474 379 V N 0.079 120.046 119.914 0.088 0.000 3.019 379 V HA 0.896 5.016 4.120 -0.000 0.000 0.317 379 V C -1.153 175.063 176.094 0.202 0.000 1.094 379 V CA -1.237 61.077 62.300 0.023 0.000 1.000 379 V CB 1.474 33.304 31.823 0.012 0.000 1.060 379 V HN 0.789 nan 8.190 nan 0.000 0.443 380 V N 1.676 121.648 119.914 0.096 0.000 2.444 380 V HA 0.784 4.904 4.120 -0.000 0.000 0.294 380 V C 0.728 176.808 176.094 -0.023 0.000 1.022 380 V CA 0.129 62.462 62.300 0.056 0.000 0.850 380 V CB 1.193 33.066 31.823 0.083 0.000 0.992 380 V HN 1.297 nan 8.190 nan 0.000 0.426 381 G N 3.890 112.658 108.800 -0.054 0.000 2.348 381 G HA2 0.663 4.623 3.960 -0.000 0.000 0.312 381 G HA3 0.663 4.623 3.960 -0.000 0.000 0.312 381 G C -0.785 174.055 174.900 -0.100 0.000 1.126 381 G CA -0.359 44.704 45.100 -0.062 0.000 0.865 381 G HN 0.643 nan 8.290 nan 0.000 0.474 382 Q N 0.020 119.760 119.800 -0.099 0.000 2.397 382 Q HA 0.672 5.012 4.340 -0.000 0.000 0.275 382 Q C -1.406 174.504 176.000 -0.150 0.000 1.090 382 Q CA -0.971 54.762 55.803 -0.117 0.000 0.809 382 Q CB 3.360 32.041 28.738 -0.094 0.000 1.362 382 Q HN 0.440 nan 8.270 nan 0.000 0.431 383 V N 0.448 120.240 119.914 -0.204 0.000 2.971 383 V HA 0.589 4.709 4.120 -0.000 0.000 0.309 383 V C -1.445 174.435 176.094 -0.356 0.000 1.130 383 V CA -0.388 61.730 62.300 -0.304 0.000 0.964 383 V CB 2.460 34.030 31.823 -0.422 0.000 1.029 383 V HN 0.814 nan 8.190 nan 0.000 0.427 384 S N 4.314 119.822 115.700 -0.321 0.000 2.462 384 S HA 0.526 4.996 4.470 -0.000 0.000 0.294 384 S C 0.208 174.623 174.600 -0.308 0.000 1.144 384 S CA -0.410 57.638 58.200 -0.254 0.000 1.088 384 S CB 0.798 63.919 63.200 -0.131 0.000 1.009 384 S HN 0.588 nan 8.310 nan 0.000 0.484 385 F N 2.572 122.486 119.950 -0.060 0.000 2.802 385 F HA 0.171 4.698 4.527 -0.000 0.000 0.300 385 F C 2.012 177.813 175.800 0.001 0.000 1.168 385 F CA 0.291 58.275 58.000 -0.028 0.000 1.433 385 F CB -0.048 38.930 39.000 -0.037 0.000 1.115 385 F HN 0.675 nan 8.300 nan 0.000 0.582 386 E N -0.225 120.049 120.200 0.123 0.000 2.150 386 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 386 E C 2.280 178.919 176.600 0.064 0.000 0.985 386 E CA 0.987 57.452 56.400 0.109 0.000 0.814 386 E CB -0.264 29.505 29.700 0.114 0.000 0.752 386 E HN 0.405 nan 8.360 nan 0.000 0.466 387 G N 0.117 108.932 108.800 0.025 0.000 3.393 387 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.255 387 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.255 387 G C 0.325 175.230 174.900 0.008 0.000 1.097 387 G CA -0.339 44.767 45.100 0.011 0.000 0.780 387 G HN -0.042 nan 8.290 nan 0.000 0.540 388 Q N 1.232 121.049 119.800 0.028 0.000 2.307 388 Q HA 0.251 4.591 4.340 -0.000 0.000 0.259 388 Q C 1.525 177.567 176.000 0.071 0.000 0.998 388 Q CA 0.133 55.961 55.803 0.042 0.000 0.923 388 Q CB 1.367 30.161 28.738 0.093 0.000 1.196 388 Q HN 0.182 nan 8.270 nan 0.000 0.416 389 G N 4.587 113.418 108.800 0.051 0.000 2.586 389 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.218 389 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.218 389 G C 1.271 176.193 174.900 0.038 0.000 1.216 389 G CA 1.109 46.235 45.100 0.043 0.000 0.786 389 G HN 0.623 nan 8.290 nan 0.000 0.583 390 R N 0.831 121.347 120.500 0.027 0.000 2.083 390 R HA -0.041 4.299 4.340 -0.000 0.000 0.237 390 R C 2.843 179.177 176.300 0.056 0.000 1.137 390 R CA 2.097 58.210 56.100 0.022 0.000 0.951 390 R CB -0.912 29.397 30.300 0.015 0.000 0.851 390 R HN 0.310 nan 8.270 nan 0.000 0.434 391 S N 0.192 115.947 115.700 0.091 0.000 2.370 391 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 391 S C 1.880 176.530 174.600 0.083 0.000 1.033 391 S CA 1.575 59.832 58.200 0.095 0.000 1.011 391 S CB -0.385 62.913 63.200 0.164 0.000 0.852 391 S HN 0.416 nan 8.310 nan 0.000 0.457 392 R N 1.062 121.609 120.500 0.078 0.000 2.073 392 R HA -0.041 4.299 4.340 -0.000 0.000 0.234 392 R C 0.835 177.173 176.300 0.063 0.000 1.134 392 R CA 0.733 56.868 56.100 0.059 0.000 0.952 392 R CB -0.523 29.805 30.300 0.046 0.000 0.850 392 R HN 0.196 nan 8.270 nan 0.000 0.433 396 K N 1.649 122.094 120.400 0.075 0.000 2.618 396 K HA 0.133 4.453 4.320 -0.000 0.000 0.207 396 K C 0.361 176.985 176.600 0.040 0.000 1.058 396 K CA -0.462 55.855 56.287 0.051 0.000 1.086 396 K CB 0.534 33.048 32.500 0.023 0.000 0.827 396 K HN 0.462 nan 8.250 nan 0.000 0.481 397 N N 1.722 120.464 118.700 0.070 0.000 3.245 397 N HA 0.052 4.792 4.740 -0.000 0.000 0.296 397 N C -0.558 175.031 175.510 0.132 0.000 1.254 397 N CA -0.009 53.107 53.050 0.110 0.000 1.190 397 N CB 0.359 38.906 38.487 0.099 0.000 1.460 397 N HN -0.099 nan 8.380 nan 0.000 0.538 398 K N 0.400 120.872 120.400 0.120 0.000 2.469 398 K HA 0.717 5.037 4.320 -0.000 0.000 0.254 398 K C -0.148 176.544 176.600 0.153 0.000 0.939 398 K CA -0.682 55.721 56.287 0.192 0.000 0.812 398 K CB 2.653 35.228 32.500 0.124 0.000 1.301 398 K HN 0.554 nan 8.250 nan 0.000 0.433 399 G N 1.020 109.994 108.800 0.289 0.000 2.353 399 G HA2 0.154 4.114 3.960 -0.000 0.000 0.424 399 G HA3 0.154 4.114 3.960 -0.000 0.000 0.424 399 G C -1.960 172.998 174.900 0.098 0.000 1.320 399 G CA -1.062 44.131 45.100 0.155 0.000 0.995 399 G HN 0.387 nan 8.290 nan 0.000 0.580 400 L N -0.826 120.510 121.223 0.188 0.000 2.469 400 L HA 0.869 5.209 4.340 -0.000 0.000 0.256 400 L C -1.163 175.847 176.870 0.233 0.000 1.006 400 L CA -1.061 53.813 54.840 0.056 0.000 0.832 400 L CB 2.417 44.379 42.059 -0.161 0.000 1.421 400 L HN 0.978 nan 8.230 nan 0.000 0.410 401 L N 1.493 122.777 121.223 0.100 0.000 2.516 401 L HA 0.612 4.952 4.340 -0.000 0.000 0.267 401 L C -1.694 175.170 176.870 -0.011 0.000 0.957 401 L CA -0.151 54.766 54.840 0.129 0.000 0.860 401 L CB 1.897 44.094 42.059 0.230 0.000 1.265 401 L HN 0.428 nan 8.230 nan 0.000 0.403 402 N N 3.682 122.362 118.700 -0.034 0.000 2.400 402 N HA 0.675 5.414 4.740 -0.000 0.000 0.288 402 N C -0.927 174.427 175.510 -0.259 0.000 1.024 402 N CA -0.292 52.640 53.050 -0.197 0.000 0.894 402 N CB 2.376 40.693 38.487 -0.284 0.000 1.173 402 N HN 0.553 nan 8.380 nan 0.000 0.487 403 V N -0.072 119.691 119.914 -0.252 0.000 2.581 403 V HA 0.649 4.769 4.120 -0.000 0.000 0.303 403 V C -1.126 174.846 176.094 -0.205 0.000 1.041 403 V CA -0.682 61.584 62.300 -0.057 0.000 0.907 403 V CB 0.904 32.820 31.823 0.155 0.000 0.994 403 V HN 0.415 nan 8.190 nan 0.000 0.442 404 Y N 2.581 123.035 120.300 0.258 0.000 2.377 404 Y HA 0.886 5.436 4.550 -0.000 0.000 0.339 404 Y C 0.445 176.455 175.900 0.184 0.000 1.011 404 Y CA -0.179 58.024 58.100 0.173 0.000 1.093 404 Y CB 2.177 40.652 38.460 0.025 0.000 1.201 404 Y HN 1.137 nan 8.280 nan 0.000 0.455 405 A N 1.871 124.912 122.820 0.368 0.000 2.520 405 A HA 0.454 4.774 4.320 -0.000 0.000 0.298 405 A C -1.524 176.214 177.584 0.257 0.000 1.051 405 A CA -0.927 51.281 52.037 0.285 0.000 0.690 405 A CB 1.146 20.298 19.000 0.253 0.000 1.281 405 A HN 0.769 nan 8.150 nan 0.000 0.402 406 D N 0.541 121.078 120.400 0.228 0.000 2.425 406 D HA 0.182 4.822 4.640 -0.000 0.000 0.247 406 D C 1.221 177.603 176.300 0.137 0.000 1.147 406 D CA 0.106 54.237 54.000 0.220 0.000 0.879 406 D CB 0.709 41.654 40.800 0.241 0.000 1.179 406 D HN 0.517 nan 8.370 nan 0.000 0.456 407 R N 1.894 122.440 120.500 0.077 0.000 2.115 407 R HA -0.103 4.237 4.340 -0.000 0.000 0.230 407 R C 1.397 177.724 176.300 0.045 0.000 1.111 407 R CA 1.584 57.704 56.100 0.034 0.000 0.976 407 R CB 0.051 30.334 30.300 -0.029 0.000 0.870 407 R HN 0.549 nan 8.270 nan 0.000 0.445 408 T N -0.791 113.802 114.554 0.065 0.000 2.809 408 T HA -0.082 4.268 4.350 -0.000 0.000 0.260 408 T C 1.769 176.508 174.700 0.064 0.000 1.039 408 T CA 1.442 63.578 62.100 0.060 0.000 1.141 408 T CB -0.013 68.896 68.868 0.069 0.000 0.869 408 T HN 0.400 nan 8.240 nan 0.000 0.437 409 S N 0.099 115.850 115.700 0.084 0.000 2.497 409 S HA 0.401 4.871 4.470 -0.000 0.000 0.218 409 S C 1.946 176.599 174.600 0.089 0.000 1.023 409 S CA 0.637 58.886 58.200 0.082 0.000 0.913 409 S CB -0.087 63.166 63.200 0.089 0.000 0.800 409 S HN 0.711 nan 8.310 nan 0.000 0.505 410 G N 1.704 110.566 108.800 0.103 0.000 2.155 410 G HA2 -0.328 3.631 3.960 -0.000 0.000 0.257 410 G HA3 -0.328 3.631 3.960 -0.000 0.000 0.257 410 G C -0.166 174.828 174.900 0.158 0.000 0.983 410 G CA 0.406 45.578 45.100 0.120 0.000 0.676 410 G HN 0.803 nan 8.290 nan 0.000 0.528 411 E N -0.055 120.238 120.200 0.155 0.000 2.480 411 E HA 0.211 4.560 4.350 -0.000 0.000 0.258 411 E C 0.030 176.769 176.600 0.232 0.000 0.984 411 E CA -0.771 55.732 56.400 0.172 0.000 0.930 411 E CB 0.018 29.796 29.700 0.130 0.000 0.936 411 E HN 0.288 nan 8.360 nan 0.000 0.466 412 F N 6.116 126.129 119.950 0.105 0.000 2.506 412 F HA 0.062 4.589 4.527 -0.000 0.000 0.371 412 F C 0.023 175.896 175.800 0.122 0.000 1.078 412 F CA -0.444 57.626 58.000 0.117 0.000 1.195 412 F CB 0.535 39.600 39.000 0.108 0.000 1.099 412 F HN 0.535 nan 8.300 nan 0.000 0.548 413 L N 4.855 125.832 121.223 -0.411 0.000 2.286 413 L HA 0.501 4.841 4.340 -0.000 0.000 0.203 413 L C 1.126 177.669 176.870 -0.545 0.000 1.068 413 L CA 0.863 55.501 54.840 -0.337 0.000 0.811 413 L CB -0.854 41.156 42.059 -0.083 0.000 0.989 413 L HN 0.834 nan 8.230 nan 0.000 0.467 414 G N -2.051 106.293 108.800 -0.759 0.000 2.316 414 G HA2 0.605 4.565 3.960 -0.000 0.000 0.296 414 G HA3 0.605 4.565 3.960 -0.000 0.000 0.296 414 G C -2.063 172.877 174.900 0.066 0.000 1.399 414 G CA -0.004 44.871 45.100 -0.376 0.000 0.833 414 G HN 0.286 nan 8.290 nan 0.000 0.565 415 A N -0.566 122.397 122.820 0.238 0.000 2.606 415 A HA 0.930 5.250 4.320 -0.000 0.000 0.293 415 A C -0.742 176.990 177.584 0.245 0.000 1.082 415 A CA -0.484 51.728 52.037 0.291 0.000 0.685 415 A CB 1.835 21.062 19.000 0.378 0.000 1.284 415 A HN 0.736 nan 8.150 nan 0.000 0.408 419 G N 4.582 113.103 108.800 -0.465 0.000 2.451 419 G HA2 0.536 4.496 3.960 -0.000 0.000 0.292 419 G HA3 0.536 4.496 3.960 -0.000 0.000 0.292 419 G C -3.518 171.040 174.900 -0.570 0.000 1.427 419 G CA -1.014 43.672 45.100 -0.690 0.000 0.792 419 G HN 0.246 nan 8.290 nan 0.000 0.498 420 P HA 0.347 nan 4.420 nan 0.000 0.266 420 P C 0.734 177.885 177.300 -0.250 0.000 1.195 420 P CA 1.469 64.382 63.100 -0.311 0.000 0.768 420 P CB 1.321 32.876 31.700 -0.241 0.000 0.838 421 A N 2.132 124.898 122.820 -0.090 0.000 2.826 421 A HA -0.213 4.106 4.320 -0.000 0.000 0.274 421 A C 1.744 179.313 177.584 -0.026 0.000 1.443 421 A CA 1.068 53.119 52.037 0.024 0.000 0.833 421 A CB -2.338 16.712 19.000 0.085 0.000 1.023 421 A HN 0.686 nan 8.150 nan 0.000 0.600 422 A N 0.043 122.799 122.820 -0.107 0.000 1.978 422 A HA -0.082 4.237 4.320 -0.000 0.000 0.220 422 A C 1.842 179.381 177.584 -0.074 0.000 1.170 422 A CA 1.942 53.927 52.037 -0.086 0.000 0.636 422 A CB -0.562 18.381 19.000 -0.095 0.000 0.810 422 A HN 1.288 nan 8.150 nan 0.000 0.448 423 E N -1.018 119.094 120.200 -0.146 0.000 2.118 423 E HA -0.278 4.072 4.350 -0.000 0.000 0.195 423 E C 1.701 178.255 176.600 -0.076 0.000 0.992 423 E CA 1.535 57.825 56.400 -0.184 0.000 0.804 423 E CB -0.598 28.956 29.700 -0.244 0.000 0.741 423 E HN 0.753 nan 8.360 nan 0.000 0.458 424 H N 0.327 119.455 119.070 0.097 0.000 2.384 424 H HA 0.051 4.607 4.556 -0.000 0.000 0.300 424 H C 2.272 177.633 175.328 0.054 0.000 1.057 424 H CA 0.937 57.028 56.048 0.070 0.000 1.370 424 H CB 0.135 29.891 29.762 -0.011 0.000 1.417 424 H HN 0.210 nan 8.280 nan 0.000 0.527 425 I N 0.749 121.404 120.570 0.142 0.000 2.286 425 I HA -0.109 4.061 4.170 -0.000 0.000 0.248 425 I C 2.677 178.851 176.117 0.095 0.000 1.115 425 I CA 1.052 62.412 61.300 0.101 0.000 1.392 425 I CB -1.627 36.435 38.000 0.103 0.000 1.065 425 I HN 0.201 nan 8.210 nan 0.000 0.418 426 G N 0.122 108.966 108.800 0.074 0.000 2.440 426 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 426 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 426 G C 1.568 176.489 174.900 0.036 0.000 1.154 426 G CA 1.045 46.169 45.100 0.041 0.000 0.767 426 G HN 0.401 nan 8.290 nan 0.000 0.552 427 H N -0.737 118.350 119.070 0.029 0.000 2.353 427 H HA 0.028 4.584 4.556 -0.000 0.000 0.300 427 H C 2.346 177.647 175.328 -0.046 0.000 1.090 427 H CA 1.253 57.313 56.048 0.021 0.000 1.327 427 H CB -0.161 29.556 29.762 -0.075 0.000 1.383 427 H HN 0.283 nan 8.280 nan 0.000 0.508 428 L N 0.264 121.504 121.223 0.028 0.000 2.017 428 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 428 L C 1.871 178.782 176.870 0.068 0.000 1.073 428 L CA 1.460 56.267 54.840 -0.055 0.000 0.745 428 L CB -0.511 41.510 42.059 -0.064 0.000 0.894 428 L HN 0.266 nan 8.230 nan 0.000 0.432 429 L N -1.000 120.288 121.223 0.108 0.000 2.093 429 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 429 L C 2.620 179.696 176.870 0.343 0.000 1.085 429 L CA 1.113 56.059 54.840 0.177 0.000 0.755 429 L CB -0.911 41.281 42.059 0.222 0.000 0.904 429 L HN 0.357 nan 8.230 nan 0.000 0.435 430 A N -0.709 122.291 122.820 0.299 0.000 1.930 430 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 430 A C 1.853 179.665 177.584 0.379 0.000 1.175 430 A CA 1.089 53.310 52.037 0.307 0.000 0.627 430 A CB -0.780 18.346 19.000 0.209 0.000 0.815 430 A HN 0.460 nan 8.150 nan 0.000 0.443 431 W N -0.058 121.309 121.300 0.110 0.000 2.363 431 W HA -0.031 4.629 4.660 -0.000 0.000 0.296 431 W C 2.755 179.337 176.519 0.105 0.000 1.212 431 W CA 1.064 58.466 57.345 0.095 0.000 1.260 431 W CB -0.834 28.673 29.460 0.079 0.000 1.131 431 W HN 0.389 nan 8.180 nan 0.000 0.530 432 A N 0.173 123.202 122.820 0.348 0.000 1.902 432 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 432 A C 2.069 179.844 177.584 0.318 0.000 1.181 432 A CA 2.110 54.300 52.037 0.255 0.000 0.623 432 A CB -0.700 18.374 19.000 0.123 0.000 0.818 432 A HN 0.176 nan 8.150 nan 0.000 0.443 433 R N -0.000 120.747 120.500 0.412 0.000 2.070 433 R HA -0.162 4.178 4.340 -0.000 0.000 0.233 433 R C 2.286 178.691 176.300 0.176 0.000 1.137 433 R CA 2.310 58.607 56.100 0.329 0.000 0.945 433 R CB -0.880 29.564 30.300 0.240 0.000 0.845 433 R HN 0.624 nan 8.270 nan 0.000 0.430 434 Q N -0.098 119.788 119.800 0.144 0.000 2.135 434 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 434 Q C 1.522 177.558 176.000 0.060 0.000 0.981 434 Q CA 1.711 57.555 55.803 0.067 0.000 0.856 434 Q CB 0.053 28.797 28.738 0.009 0.000 0.902 434 Q HN 0.513 nan 8.270 nan 0.000 0.425 435 Q N 0.027 119.883 119.800 0.093 0.000 2.415 435 Q HA -0.010 4.330 4.340 -0.000 0.000 0.206 435 Q C -0.507 175.550 176.000 0.095 0.000 0.946 435 Q CA -0.019 55.834 55.803 0.082 0.000 0.951 435 Q CB 0.244 29.040 28.738 0.096 0.000 1.026 435 Q HN 0.349 nan 8.270 nan 0.000 0.510 439 V N 1.468 121.461 119.914 0.133 0.000 2.407 439 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 439 V C 2.802 178.934 176.094 0.063 0.000 1.055 439 V CA 2.398 64.747 62.300 0.082 0.000 1.049 439 V CB -1.063 30.816 31.823 0.094 0.000 0.662 439 V HN 0.912 nan 8.190 nan 0.000 0.455 440 Q N 0.744 120.583 119.800 0.066 0.000 2.061 440 Q HA -0.046 4.294 4.340 -0.000 0.000 0.204 440 Q C 1.427 177.466 176.000 0.065 0.000 0.984 440 Q CA 1.564 57.401 55.803 0.057 0.000 0.846 440 Q CB -0.658 28.112 28.738 0.052 0.000 0.902 440 Q HN 0.696 nan 8.270 nan 0.000 0.421 447 F N 1.397 121.401 119.950 0.089 0.000 2.496 447 F HA 0.382 4.909 4.527 -0.000 0.000 0.341 447 F C 0.437 176.320 175.800 0.138 0.000 1.134 447 F CA -0.754 57.306 58.000 0.100 0.000 0.968 447 F CB 1.465 40.506 39.000 0.068 0.000 1.205 447 F HN 0.253 nan 8.300 nan 0.000 0.436 448 Y N 2.224 122.615 120.300 0.152 0.000 2.258 448 Y HA 0.278 4.828 4.550 -0.000 0.000 0.345 448 Y C -0.204 175.808 175.900 0.186 0.000 1.303 448 Y CA 0.114 58.288 58.100 0.124 0.000 1.537 448 Y CB 0.558 39.050 38.460 0.052 0.000 1.383 448 Y HN 0.593 nan 8.280 nan 0.000 0.606 449 H N 2.360 121.333 119.070 -0.163 0.000 2.771 449 H HA 0.453 5.009 4.556 -0.000 0.000 0.361 449 H C -2.807 172.539 175.328 0.029 0.000 1.108 449 H CA -2.263 53.758 56.048 -0.045 0.000 1.201 449 H CB 1.620 31.308 29.762 -0.123 0.000 1.681 449 H HN 0.329 nan 8.280 nan 0.000 0.534 450 P HA 0.310 nan 4.420 nan 0.000 0.301 450 P C -1.339 175.900 177.300 -0.103 0.000 1.348 450 P CA -0.624 62.149 63.100 -0.545 0.000 0.826 450 P CB 1.440 32.752 31.700 -0.646 0.000 0.945 451 V N 0.679 120.598 119.914 0.009 0.000 3.130 451 V HA 0.420 4.540 4.120 -0.000 0.000 0.310 451 V C 1.368 177.529 176.094 0.112 0.000 1.158 451 V CA -0.926 61.420 62.300 0.078 0.000 1.029 451 V CB 1.579 33.479 31.823 0.128 0.000 1.057 451 V HN 0.306 nan 8.190 nan 0.000 0.436 452 I N 0.972 121.609 120.570 0.112 0.000 2.286 452 I HA -0.121 4.049 4.170 -0.000 0.000 0.248 452 I C 2.448 178.711 176.117 0.244 0.000 1.115 452 I CA 1.746 63.151 61.300 0.176 0.000 1.392 452 I CB -0.098 37.959 38.000 0.095 0.000 1.065 452 I HN 0.920 nan 8.210 nan 0.000 0.418 453 E N 1.099 121.426 120.200 0.211 0.000 2.401 453 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 453 E C 1.458 178.274 176.600 0.359 0.000 1.023 453 E CA 0.820 57.389 56.400 0.282 0.000 0.859 453 E CB -0.575 29.262 29.700 0.230 0.000 0.780 453 E HN 0.612 nan 8.360 nan 0.000 0.523 454 E N 0.853 121.207 120.200 0.257 0.000 2.204 454 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 454 E C 2.115 178.718 176.600 0.005 0.000 0.989 454 E CA 0.872 57.343 56.400 0.119 0.000 0.824 454 E CB -0.249 29.524 29.700 0.121 0.000 0.756 454 E HN 0.459 nan 8.360 nan 0.000 0.477 455 G N 1.542 110.376 108.800 0.056 0.000 2.422 455 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 455 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 455 G C 1.558 176.391 174.900 -0.111 0.000 1.146 455 G CA 0.491 45.522 45.100 -0.115 0.000 0.769 455 G HN 0.176 nan 8.290 nan 0.000 0.547 456 L N 0.745 122.004 121.223 0.058 0.000 2.083 456 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 456 L C 2.674 179.502 176.870 -0.070 0.000 1.083 456 L CA 2.178 57.056 54.840 0.065 0.000 0.752 456 L CB -0.563 41.626 42.059 0.217 0.000 0.899 456 L HN 0.263 nan 8.230 nan 0.000 0.433 457 R N -1.181 119.172 120.500 -0.245 0.000 2.091 457 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 457 R C 1.975 178.089 176.300 -0.310 0.000 1.136 457 R CA 2.044 57.796 56.100 -0.580 0.000 0.959 457 R CB -0.471 29.218 30.300 -1.019 0.000 0.856 457 R HN 0.440 nan 8.270 nan 0.000 0.437 458 T N 0.631 115.048 114.554 -0.229 0.000 2.708 458 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 458 T C 1.843 176.449 174.700 -0.156 0.000 1.037 458 T CA 1.473 63.464 62.100 -0.181 0.000 1.146 458 T CB -0.341 68.419 68.868 -0.180 0.000 0.865 458 T HN 0.483 nan 8.240 nan 0.000 0.435 459 A N 1.020 123.748 122.820 -0.154 0.000 1.933 459 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 459 A C 2.311 179.842 177.584 -0.089 0.000 1.175 459 A CA 1.186 53.151 52.037 -0.121 0.000 0.628 459 A CB -0.814 18.121 19.000 -0.109 0.000 0.814 459 A HN 0.472 nan 8.150 nan 0.000 0.444 460 L N -1.193 119.974 121.223 -0.093 0.000 2.056 460 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 460 L C 2.839 179.671 176.870 -0.063 0.000 1.078 460 L CA 1.325 56.126 54.840 -0.066 0.000 0.749 460 L CB -0.443 41.576 42.059 -0.067 0.000 0.901 460 L HN 0.335 nan 8.230 nan 0.000 0.433 461 R N -0.157 120.285 120.500 -0.096 0.000 2.091 461 R HA -0.219 4.121 4.340 -0.000 0.000 0.238 461 R C 1.951 178.213 176.300 -0.063 0.000 1.136 461 R CA 1.816 57.868 56.100 -0.080 0.000 0.959 461 R CB -0.457 29.783 30.300 -0.100 0.000 0.856 461 R HN 0.311 nan 8.270 nan 0.000 0.437 462 D N 0.315 120.674 120.400 -0.069 0.000 2.117 462 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 462 D C 1.778 178.055 176.300 -0.040 0.000 0.982 462 D CA 1.467 55.431 54.000 -0.059 0.000 0.828 462 D CB -0.008 40.749 40.800 -0.071 0.000 0.967 462 D HN 0.220 nan 8.370 nan 0.000 0.464 463 A N 0.229 123.033 122.820 -0.026 0.000 1.877 463 A HA -0.213 4.107 4.320 -0.000 0.000 0.216 463 A C 2.206 179.794 177.584 0.006 0.000 1.186 463 A CA 1.788 53.828 52.037 0.006 0.000 0.620 463 A CB -0.844 18.181 19.000 0.042 0.000 0.822 463 A HN 0.379 nan 8.150 nan 0.000 0.443 464 Q N -0.311 119.488 119.800 -0.003 0.000 2.084 464 Q HA -0.285 4.055 4.340 -0.000 0.000 0.202 464 Q C 2.344 178.331 176.000 -0.021 0.000 0.978 464 Q CA 1.950 57.752 55.803 -0.003 0.000 0.844 464 Q CB -0.254 28.480 28.738 -0.008 0.000 0.898 464 Q HN 0.883 nan 8.270 nan 0.000 0.426 465 Q N 0.225 120.004 119.800 -0.035 0.000 2.234 465 Q HA -0.189 4.151 4.340 -0.000 0.000 0.206 465 Q C 1.110 177.086 176.000 -0.041 0.000 0.980 465 Q CA 1.547 57.322 55.803 -0.047 0.000 0.869 465 Q CB -0.019 28.690 28.738 -0.049 0.000 0.912 465 Q HN 0.263 nan 8.270 nan 0.000 0.436 466 K N 0.163 120.544 120.400 -0.030 0.000 2.426 466 K HA 0.218 4.538 4.320 -0.000 0.000 0.193 466 K C 0.360 176.945 176.600 -0.024 0.000 1.028 466 K CA -0.219 56.049 56.287 -0.031 0.000 1.047 466 K CB 0.287 32.768 32.500 -0.032 0.000 0.821 466 K HN 0.200 nan 8.250 nan 0.000 0.513 467 L N 0.206 121.421 121.223 -0.013 0.000 2.472 467 L HA 0.065 4.405 4.340 -0.000 0.000 0.260 467 L C 1.179 178.043 176.870 -0.009 0.000 1.209 467 L CA -0.255 54.584 54.840 -0.001 0.000 0.817 467 L CB 0.548 42.615 42.059 0.014 0.000 1.106 467 L HN 0.050 nan 8.230 nan 0.000 0.479 468 A N 2.099 124.919 122.820 -0.000 0.000 2.337 468 A HA 0.268 4.588 4.320 -0.000 0.000 0.227 468 A C 0.686 178.273 177.584 0.005 0.000 1.259 468 A CA -0.213 51.823 52.037 -0.001 0.000 0.870 468 A CB -0.359 18.643 19.000 0.002 0.000 0.927 468 A HN 0.444 nan 8.150 nan 0.000 0.497 469 I N 0.160 120.734 120.570 0.007 0.000 2.823 469 I HA 0.081 4.251 4.170 -0.000 0.000 0.290 469 I C 0.671 176.787 176.117 -0.002 0.000 1.091 469 I CA -0.212 61.094 61.300 0.010 0.000 1.365 469 I CB 0.253 38.264 38.000 0.018 0.000 1.427 469 I HN 0.240 nan 8.210 nan 0.000 0.583 470 E N 3.090 123.293 120.200 0.005 0.000 2.498 470 E HA -0.085 4.265 4.350 -0.000 0.000 0.252 470 E C 1.119 177.706 176.600 -0.022 0.000 1.025 470 E CA 0.103 56.504 56.400 0.002 0.000 0.938 470 E CB 0.521 30.234 29.700 0.022 0.000 0.947 470 E HN 0.464 nan 8.360 nan 0.000 0.478 471 K N 2.982 123.344 120.400 -0.063 0.000 2.089 471 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 471 K C 0.459 176.881 176.600 -0.297 0.000 1.048 471 K CA 1.875 58.051 56.287 -0.186 0.000 0.926 471 K CB -0.216 32.144 32.500 -0.233 0.000 0.714 471 K HN 0.562 nan 8.250 nan 0.000 0.448 472 H N 0.533 119.611 119.070 0.013 0.000 2.490 472 H HA 0.296 4.852 4.556 -0.000 0.000 0.285 472 H C -0.959 174.381 175.328 0.021 0.000 1.127 472 H CA -0.753 55.305 56.048 0.016 0.000 0.993 472 H CB 0.399 30.169 29.762 0.012 0.000 1.653 472 H HN 0.230 nan 8.280 nan 0.000 0.557 476 E N -0.003 120.269 120.200 0.121 0.000 2.371 476 E HA 0.089 4.439 4.350 -0.000 0.000 0.194 476 E C -0.461 176.264 176.600 0.209 0.000 1.012 476 E CA 0.747 57.227 56.400 0.133 0.000 0.860 476 E CB 0.524 30.288 29.700 0.107 0.000 0.811 476 E HN 0.336 nan 8.360 nan 0.000 0.502 477 F N 0.787 120.764 119.950 0.044 0.000 2.547 477 F HA 0.391 4.918 4.527 -0.000 0.000 0.316 477 F C -0.611 175.214 175.800 0.041 0.000 1.121 477 F CA -0.888 57.137 58.000 0.042 0.000 0.911 477 F CB 0.960 39.980 39.000 0.034 0.000 1.179 477 F HN -0.309 nan 8.300 nan 0.000 0.443 481 H N 0.000 119.072 119.070 0.003 0.000 2.539 481 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 481 H CA 0.000 56.052 56.048 0.007 0.000 1.023 481 H CB 0.000 29.768 29.762 0.009 0.000 1.292 481 H HN 0.000 nan 8.280 nan 0.000 0.496