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 2wr7_1_A DATA FIRST_RESID 9 DATA SEQUENCE IGYHANNSTE KVDTILERNV TVTHAKDILE KTHNGKLcKL NGIPPLELGD DATA SEQUENCE cSIAGWLLGN PEcDRLLSVP EWSYIMEKEN PRDGLcYPGS FNDYEELKHL DATA SEQUENCE LSSVKHFEKV KILPKDRWTQ HTTTGGSRAc AVSGNPSFFR NMVXLTEKGS DATA SEQUENCE NYPVAKGSYN NTSGEQMLII WGVHHPNDET EQRTLYQNVG TYVSVGTSTL DATA SEQUENCE NKRSTPDIAT RPKVNGLGSR MEFSWTLLDM WDTINFESTG NLIAPEYGFK DATA SEQUENCE ISKRGSSGIM KTEGTLENcE TKcQTPLGAI NTTLPFHNVH PLTIGEcPKY DATA SEQUENCE VKSEKLVLAT GLRNVPXXXX XGLFGAIAGF IEGGWQGMID GWYGYHHSND DATA SEQUENCE QGSGYAADKE STQKAFDGIT NKVNSVIEKM NTQFEAVGKE FSNLERRLEN DATA SEQUENCE LNKKMEDGFL DVWTYNAELL VLMENERTLD FHDSNVKNLY DKVRMQLRDN DATA SEQUENCE VKELGNGCFE FYHKcDDEcM NSVKNGTYD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 I HA 0.000 nan 4.170 nan 0.000 0.288 9 I C 0.000 176.166 176.117 0.081 0.000 1.063 9 I CA 0.000 61.511 61.300 0.352 0.000 1.566 9 I CB 0.000 38.209 38.000 0.349 0.000 1.214 10 G N 3.766 112.384 108.800 -0.303 0.000 2.600 10 G HA2 0.739 4.682 3.960 -0.028 0.000 0.293 10 G HA3 0.739 4.682 3.960 -0.028 0.000 0.293 10 G C -2.014 172.533 174.900 -0.587 0.000 1.408 10 G CA -0.654 43.798 45.100 -1.081 0.000 0.782 10 G HN 0.559 nan 8.290 nan 0.000 0.482 11 Y N -1.961 117.935 120.300 -0.674 0.000 2.633 11 Y HA 0.790 5.325 4.550 -0.024 0.000 0.339 11 Y C 0.059 175.881 175.900 -0.130 0.000 1.045 11 Y CA -1.568 56.392 58.100 -0.233 0.000 1.098 11 Y CB 0.934 39.304 38.460 -0.149 0.000 1.296 11 Y HN 0.721 nan 8.280 nan 0.000 0.494 12 H N 0.991 120.113 119.070 0.088 0.000 2.815 12 H HA 0.602 5.140 4.556 -0.029 0.000 0.350 12 H C -0.952 174.408 175.328 0.054 0.000 1.080 12 H CA 0.415 56.519 56.048 0.094 0.000 1.433 12 H CB 0.640 30.541 29.762 0.231 0.000 1.432 12 H HN 0.976 nan 8.280 nan 0.000 0.592 13 A N 4.528 127.022 122.820 -0.543 0.000 2.539 13 A HA 0.545 4.848 4.320 -0.028 0.000 0.296 13 A C -0.963 176.252 177.584 -0.615 0.000 1.073 13 A CA -0.504 51.261 52.037 -0.453 0.000 0.700 13 A CB 1.478 20.335 19.000 -0.240 0.000 1.296 13 A HN 0.977 nan 8.150 nan 0.000 0.405 14 N N -0.437 118.034 118.700 -0.382 0.000 3.418 14 N HA 0.244 4.967 4.740 -0.028 0.000 0.316 14 N C -0.398 175.028 175.510 -0.141 0.000 1.601 14 N CA -0.183 52.717 53.050 -0.250 0.000 0.805 14 N CB 0.080 38.450 38.487 -0.194 0.000 1.873 14 N HN 0.425 nan 8.380 nan 0.000 0.615 15 N N -1.339 117.307 118.700 -0.090 0.000 2.322 15 N HA 0.046 4.770 4.740 -0.028 0.000 0.194 15 N C -0.199 175.274 175.510 -0.061 0.000 1.126 15 N CA -0.233 52.779 53.050 -0.063 0.000 0.845 15 N CB -0.352 38.112 38.487 -0.039 0.000 0.976 15 N HN 0.501 nan 8.380 nan 0.000 0.475 16 S N 0.345 115.994 115.700 -0.086 0.000 2.563 16 S HA 0.014 4.468 4.470 -0.028 0.000 0.294 16 S C 1.095 175.659 174.600 -0.060 0.000 1.279 16 S CA 0.376 58.528 58.200 -0.080 0.000 1.069 16 S CB 0.152 63.272 63.200 -0.133 0.000 0.828 16 S HN 0.534 nan 8.310 nan 0.000 0.497 17 T N 1.025 115.556 114.554 -0.038 0.000 3.054 17 T HA 0.262 4.596 4.350 -0.028 0.000 0.255 17 T C 0.331 175.018 174.700 -0.023 0.000 1.035 17 T CA -0.334 61.748 62.100 -0.029 0.000 0.941 17 T CB -0.151 68.705 68.868 -0.021 0.000 1.026 17 T HN 0.646 nan 8.240 nan 0.000 0.533 18 E N 2.463 122.651 120.200 -0.021 0.000 2.708 18 E HA 0.078 4.411 4.350 -0.028 0.000 0.260 18 E C -0.292 176.301 176.600 -0.012 0.000 0.937 18 E CA 0.610 57.004 56.400 -0.010 0.000 0.953 18 E CB 0.359 30.058 29.700 -0.001 0.000 0.915 18 E HN 0.182 nan 8.360 nan 0.000 0.487 19 K N 2.562 122.958 120.400 -0.007 0.000 2.259 19 K HA 0.548 4.851 4.320 -0.028 0.000 0.249 19 K C -0.817 175.780 176.600 -0.004 0.000 0.942 19 K CA -0.932 55.349 56.287 -0.009 0.000 0.816 19 K CB 1.699 34.193 32.500 -0.011 0.000 1.155 19 K HN 0.386 nan 8.250 nan 0.000 0.428 20 V N -2.012 117.898 119.914 -0.007 0.000 3.078 20 V HA 0.588 4.691 4.120 -0.028 0.000 0.311 20 V C -0.717 175.370 176.094 -0.012 0.000 1.138 20 V CA -1.009 61.287 62.300 -0.006 0.000 1.007 20 V CB 2.488 34.312 31.823 0.002 0.000 1.045 20 V HN 0.573 nan 8.190 nan 0.000 0.432 21 D N 1.530 121.920 120.400 -0.017 0.000 2.228 21 D HA 0.727 5.350 4.640 -0.028 0.000 0.247 21 D C -0.188 176.099 176.300 -0.022 0.000 0.995 21 D CA 0.117 54.104 54.000 -0.021 0.000 0.903 21 D CB 2.371 43.155 40.800 -0.027 0.000 1.205 21 D HN 1.070 nan 8.370 nan 0.000 0.459 22 T N -2.682 111.859 114.554 -0.022 0.000 2.838 22 T HA 0.390 4.723 4.350 -0.028 0.000 0.292 22 T C 1.271 175.954 174.700 -0.027 0.000 1.113 22 T CA -0.738 61.349 62.100 -0.021 0.000 1.008 22 T CB 0.877 69.738 68.868 -0.011 0.000 1.259 22 T HN 0.262 nan 8.240 nan 0.000 0.520 23 I N 0.384 120.937 120.570 -0.028 0.000 2.700 23 I HA -0.049 4.105 4.170 -0.028 0.000 0.261 23 I C 1.479 177.581 176.117 -0.025 0.000 1.219 23 I CA 1.248 62.529 61.300 -0.031 0.000 1.463 23 I CB -0.149 37.831 38.000 -0.033 0.000 1.092 23 I HN 0.561 nan 8.210 nan 0.000 0.452 24 L N -1.025 120.186 121.223 -0.021 0.000 2.537 24 L HA 0.206 4.529 4.340 -0.028 0.000 0.224 24 L C 0.354 177.212 176.870 -0.020 0.000 1.065 24 L CA 0.195 55.023 54.840 -0.020 0.000 0.860 24 L CB 0.197 42.244 42.059 -0.020 0.000 1.086 24 L HN 0.048 nan 8.230 nan 0.000 0.482 25 E N 0.636 120.824 120.200 -0.019 0.000 2.312 25 E HA 0.497 4.831 4.350 -0.028 0.000 0.267 25 E C -0.976 175.612 176.600 -0.020 0.000 0.894 25 E CA -0.822 55.566 56.400 -0.019 0.000 0.773 25 E CB 2.196 31.884 29.700 -0.019 0.000 1.241 25 E HN 0.071 nan 8.360 nan 0.000 0.432 26 R N 1.181 121.669 120.500 -0.019 0.000 2.832 26 R HA 0.481 4.804 4.340 -0.028 0.000 0.271 26 R C -0.463 175.826 176.300 -0.018 0.000 0.996 26 R CA -1.117 54.971 56.100 -0.019 0.000 0.977 26 R CB 0.604 30.892 30.300 -0.019 0.000 1.168 26 R HN 0.458 nan 8.270 nan 0.000 0.482 27 N N -0.561 118.129 118.700 -0.017 0.000 2.727 27 N HA -0.130 4.593 4.740 -0.028 0.000 0.251 27 N C -1.062 174.437 175.510 -0.018 0.000 1.040 27 N CA 0.470 53.510 53.050 -0.016 0.000 0.712 27 N CB -1.101 37.377 38.487 -0.015 0.000 0.912 27 N HN 0.396 nan 8.380 nan 0.000 0.545 28 V N 0.665 120.568 119.914 -0.019 0.000 2.439 28 V HA 0.317 4.421 4.120 -0.028 0.000 0.282 28 V C 0.873 176.952 176.094 -0.024 0.000 1.039 28 V CA -0.381 61.906 62.300 -0.022 0.000 0.913 28 V CB 1.893 33.703 31.823 -0.021 0.000 0.983 28 V HN 0.284 nan 8.190 nan 0.000 0.460 29 T N 4.882 119.418 114.554 -0.030 0.000 2.780 29 T HA 0.511 4.844 4.350 -0.028 0.000 0.294 29 T C -0.225 174.447 174.700 -0.047 0.000 0.949 29 T CA -0.358 61.721 62.100 -0.036 0.000 1.074 29 T CB 1.092 69.937 68.868 -0.039 0.000 0.910 29 T HN 0.705 nan 8.240 nan 0.000 0.501 30 V N 0.724 120.610 119.914 -0.047 0.000 2.531 30 V HA 0.470 4.573 4.120 -0.028 0.000 0.301 30 V C 1.361 177.404 176.094 -0.086 0.000 1.034 30 V CA -0.707 61.557 62.300 -0.059 0.000 0.865 30 V CB 0.806 32.612 31.823 -0.027 0.000 0.995 30 V HN 0.933 nan 8.190 nan 0.000 0.424 31 T N 1.287 115.765 114.554 -0.126 0.000 2.755 31 T HA -0.233 4.100 4.350 -0.028 0.000 0.266 31 T C 0.600 174.932 174.700 -0.614 0.000 1.041 31 T CA 2.270 64.200 62.100 -0.283 0.000 1.147 31 T CB -0.848 67.968 68.868 -0.087 0.000 0.847 31 T HN 1.012 nan 8.240 nan 0.000 0.478 32 H N -0.325 118.812 119.070 0.112 0.000 3.046 32 H HA 0.792 5.330 4.556 -0.030 0.000 0.361 32 H C -0.433 174.954 175.328 0.099 0.000 1.235 32 H CA -0.462 55.670 56.048 0.142 0.000 1.146 32 H CB 1.847 31.759 29.762 0.251 0.000 1.859 32 H HN 0.479 nan 8.280 nan 0.000 0.548 33 A N 1.287 124.231 122.820 0.208 0.000 2.609 33 A HA 0.711 5.014 4.320 -0.028 0.000 0.291 33 A C -1.613 176.040 177.584 0.115 0.000 1.096 33 A CA -0.797 51.320 52.037 0.135 0.000 0.684 33 A CB 2.067 21.115 19.000 0.080 0.000 1.282 33 A HN 0.353 nan 8.150 nan 0.000 0.412 34 K N 1.387 121.839 120.400 0.087 0.000 2.463 34 K HA 0.357 4.660 4.320 -0.028 0.000 0.255 34 K C -1.776 174.859 176.600 0.059 0.000 0.942 34 K CA -0.377 55.953 56.287 0.072 0.000 0.814 34 K CB 1.692 34.230 32.500 0.064 0.000 1.122 34 K HN 0.835 nan 8.250 nan 0.000 0.425 35 D N 3.504 123.936 120.400 0.055 0.000 2.308 35 D HA 0.139 4.762 4.640 -0.028 0.000 0.251 35 D C 0.850 177.188 176.300 0.062 0.000 1.127 35 D CA -0.299 53.733 54.000 0.052 0.000 0.876 35 D CB 0.615 41.442 40.800 0.046 0.000 1.176 35 D HN 0.576 nan 8.370 nan 0.000 0.446 36 I N 1.251 121.869 120.570 0.081 0.000 3.856 36 I HA 0.348 4.501 4.170 -0.028 0.000 0.330 36 I C -0.756 175.460 176.117 0.165 0.000 1.546 36 I CA -0.585 60.783 61.300 0.113 0.000 1.132 36 I CB 0.342 38.429 38.000 0.145 0.000 1.157 36 I HN 0.076 nan 8.210 nan 0.000 0.440 37 L N 1.760 123.056 121.223 0.122 0.000 2.353 37 L HA 0.559 4.882 4.340 -0.028 0.000 0.270 37 L C -0.151 176.787 176.870 0.113 0.000 1.003 37 L CA -0.374 54.548 54.840 0.136 0.000 0.862 37 L CB 1.220 43.328 42.059 0.080 0.000 1.221 37 L HN 0.137 nan 8.230 nan 0.000 0.430 38 E N 3.994 124.275 120.200 0.136 0.000 2.376 38 E HA 0.173 4.506 4.350 -0.028 0.000 0.266 38 E C -0.100 176.595 176.600 0.158 0.000 1.009 38 E CA 0.541 57.014 56.400 0.122 0.000 0.902 38 E CB 0.544 30.310 29.700 0.111 0.000 0.972 38 E HN 0.623 nan 8.360 nan 0.000 0.439 39 K N 1.465 121.937 120.400 0.119 0.000 2.586 39 K HA 0.221 4.524 4.320 -0.028 0.000 0.198 39 K C -0.623 176.044 176.600 0.112 0.000 1.170 39 K CA -0.439 55.929 56.287 0.136 0.000 1.069 39 K CB 0.551 33.110 32.500 0.099 0.000 0.944 39 K HN 0.318 nan 8.250 nan 0.000 0.572 40 T N 1.617 116.216 114.554 0.075 0.000 2.856 40 T HA 0.426 4.759 4.350 -0.028 0.000 0.283 40 T C -0.736 173.990 174.700 0.042 0.000 1.008 40 T CA -0.698 61.403 62.100 0.002 0.000 0.997 40 T CB 1.107 69.955 68.868 -0.033 0.000 0.992 40 T HN 0.427 nan 8.240 nan 0.000 0.454 41 H N -0.249 118.825 119.070 0.007 0.000 2.855 41 H HA 0.625 5.164 4.556 -0.028 0.000 0.363 41 H C 0.551 175.872 175.328 -0.012 0.000 1.185 41 H CA -1.172 54.868 56.048 -0.014 0.000 1.174 41 H CB 0.681 30.432 29.762 -0.019 0.000 1.857 41 H HN 0.408 nan 8.280 nan 0.000 0.565 42 N N -0.332 118.433 118.700 0.107 0.000 2.336 42 N HA 0.095 4.819 4.740 -0.028 0.000 0.189 42 N C 1.210 176.779 175.510 0.099 0.000 1.113 42 N CA 0.292 53.369 53.050 0.044 0.000 0.858 42 N CB 0.098 38.601 38.487 0.028 0.000 0.970 42 N HN 1.148 nan 8.380 nan 0.000 0.471 43 G N -0.255 108.730 108.800 0.309 0.000 2.168 43 G HA2 -0.336 3.608 3.960 -0.028 0.000 0.263 43 G HA3 -0.336 3.608 3.960 -0.028 0.000 0.263 43 G C -0.319 174.640 174.900 0.098 0.000 0.977 43 G CA 0.714 45.968 45.100 0.256 0.000 0.659 43 G HN 0.542 nan 8.290 nan 0.000 0.533 44 K N -0.314 120.126 120.400 0.067 0.000 2.259 44 K HA 0.695 4.998 4.320 -0.028 0.000 0.252 44 K C 0.172 176.778 176.600 0.009 0.000 0.936 44 K CA -0.932 55.371 56.287 0.026 0.000 0.810 44 K CB 1.843 34.356 32.500 0.023 0.000 1.143 44 K HN 0.115 nan 8.250 nan 0.000 0.427 45 L N 2.668 123.896 121.223 0.007 0.000 2.290 45 L HA 0.358 4.681 4.340 -0.028 0.000 0.284 45 L C -0.396 176.507 176.870 0.053 0.000 1.078 45 L CA -0.681 54.177 54.840 0.031 0.000 0.815 45 L CB 0.619 42.693 42.059 0.025 0.000 1.162 45 L HN 0.670 nan 8.230 nan 0.000 0.435 46 c N 1.556 120.214 118.600 0.098 0.000 2.973 46 c HA 0.443 4.996 4.570 -0.028 0.000 0.329 46 c C 0.164 174.341 174.090 0.145 0.000 1.327 46 c CA -1.309 55.069 56.329 0.083 0.000 1.632 46 c CB 2.126 44.663 42.510 0.045 0.000 2.098 46 c HN 0.676 nan 8.230 nan 0.000 0.469 47 K N 0.679 121.136 120.400 0.096 0.000 2.295 47 K HA 0.413 4.716 4.320 -0.028 0.000 0.270 47 K C -0.955 175.729 176.600 0.139 0.000 1.011 47 K CA -0.280 56.077 56.287 0.116 0.000 0.953 47 K CB 0.552 33.089 32.500 0.062 0.000 0.956 47 K HN 0.368 nan 8.250 nan 0.000 0.477 48 L N 3.566 124.906 121.223 0.195 0.000 2.276 48 L HA 0.175 4.498 4.340 -0.028 0.000 0.286 48 L C -0.595 176.342 176.870 0.112 0.000 1.024 48 L CA 0.317 55.252 54.840 0.158 0.000 0.826 48 L CB -0.015 42.186 42.059 0.237 0.000 1.211 48 L HN 0.731 nan 8.230 nan 0.000 0.422 49 N N 4.038 122.781 118.700 0.073 0.000 2.721 49 N HA -0.214 4.509 4.740 -0.028 0.000 0.249 49 N C 0.902 176.435 175.510 0.038 0.000 1.072 49 N CA 0.755 53.834 53.050 0.049 0.000 0.710 49 N CB -1.024 37.491 38.487 0.047 0.000 0.993 49 N HN 1.177 nan 8.380 nan 0.000 0.547 50 G N -1.205 107.620 108.800 0.042 0.000 2.179 50 G HA2 -0.310 3.634 3.960 -0.028 0.000 0.260 50 G HA3 -0.310 3.634 3.960 -0.028 0.000 0.260 50 G C 0.089 175.011 174.900 0.036 0.000 0.977 50 G CA 0.473 45.593 45.100 0.032 0.000 0.641 50 G HN 0.483 nan 8.290 nan 0.000 0.533 51 I N 1.728 122.330 120.570 0.053 0.000 2.433 51 I HA 0.362 4.516 4.170 -0.028 0.000 0.292 51 I C -2.193 173.969 176.117 0.074 0.000 1.001 51 I CA -2.626 58.706 61.300 0.053 0.000 1.119 51 I CB 2.315 40.341 38.000 0.042 0.000 1.289 51 I HN -0.153 nan 8.210 nan 0.000 0.438 52 P HA 0.287 nan 4.420 nan 0.000 0.274 52 P C -2.664 174.586 177.300 -0.083 0.000 1.246 52 P CA -1.554 61.539 63.100 -0.012 0.000 0.795 52 P CB -0.065 31.619 31.700 -0.025 0.000 1.006 53 P HA 0.289 nan 4.420 nan 0.000 0.287 53 P C -0.915 176.102 177.300 -0.471 0.000 1.279 53 P CA -0.729 61.989 63.100 -0.636 0.000 0.867 53 P CB 0.543 31.403 31.700 -1.401 0.000 1.127 54 L N 1.840 122.681 121.223 -0.636 0.000 2.418 54 L HA 0.118 4.442 4.340 -0.028 0.000 0.274 54 L C 0.157 176.613 176.870 -0.690 0.000 1.135 54 L CA 0.704 55.045 54.840 -0.831 0.000 0.870 54 L CB -0.552 40.583 42.059 -1.541 0.000 1.154 54 L HN 0.293 nan 8.230 nan 0.000 0.462 55 E N 5.986 125.858 120.200 -0.546 0.000 2.055 55 E HA 0.165 4.498 4.350 -0.028 0.000 0.274 55 E C 0.416 176.747 176.600 -0.448 0.000 0.949 55 E CA -0.118 56.027 56.400 -0.425 0.000 0.775 55 E CB 0.862 30.385 29.700 -0.295 0.000 1.097 55 E HN 0.677 nan 8.360 nan 0.000 0.404 56 L N 2.411 123.365 121.223 -0.448 0.000 2.591 56 L HA 0.114 4.437 4.340 -0.028 0.000 0.228 56 L C 1.604 178.317 176.870 -0.261 0.000 1.133 56 L CA 0.293 54.877 54.840 -0.427 0.000 0.880 56 L CB -0.505 41.297 42.059 -0.427 0.000 1.033 56 L HN 0.873 nan 8.230 nan 0.000 0.450 57 G N 1.103 109.774 108.800 -0.216 0.000 2.774 57 G HA2 -0.416 3.527 3.960 -0.028 0.000 0.342 57 G HA3 -0.416 3.527 3.960 -0.028 0.000 0.342 57 G C 0.684 175.515 174.900 -0.114 0.000 1.185 57 G CA 0.876 45.888 45.100 -0.146 0.000 0.956 57 G HN 0.361 nan 8.290 nan 0.000 0.561 58 D N 0.523 120.869 120.400 -0.091 0.000 2.395 58 D HA 0.311 4.934 4.640 -0.028 0.000 0.213 58 D C 0.312 176.579 176.300 -0.055 0.000 1.110 58 D CA 0.094 54.057 54.000 -0.063 0.000 0.835 58 D CB 0.084 40.858 40.800 -0.043 0.000 0.965 58 D HN 0.372 nan 8.370 nan 0.000 0.505 59 c N 0.966 119.519 118.600 -0.080 0.000 2.365 59 c HA 0.543 5.096 4.570 -0.028 0.000 0.349 59 c C 0.987 175.037 174.090 -0.067 0.000 1.191 59 c CA -0.678 55.617 56.329 -0.055 0.000 2.114 59 c CB 1.131 43.610 42.510 -0.052 0.000 2.367 59 c HN 0.296 nan 8.230 nan 0.000 0.530 60 S N 1.756 117.447 115.700 -0.016 0.000 2.693 60 S HA 0.467 4.920 4.470 -0.028 0.000 0.276 60 S C 0.853 175.466 174.600 0.021 0.000 1.192 60 S CA -0.530 57.671 58.200 0.001 0.000 0.994 60 S CB 0.429 63.657 63.200 0.047 0.000 1.012 60 S HN 0.593 nan 8.310 nan 0.000 0.550 61 I N 0.961 121.549 120.570 0.030 0.000 2.286 61 I HA -0.135 4.018 4.170 -0.028 0.000 0.248 61 I C 2.758 178.900 176.117 0.042 0.000 1.115 61 I CA 1.491 62.825 61.300 0.057 0.000 1.392 61 I CB -0.710 37.242 38.000 -0.080 0.000 1.065 61 I HN 0.873 nan 8.210 nan 0.000 0.418 62 A N 0.672 123.482 122.820 -0.017 0.000 1.858 62 A HA -0.122 4.182 4.320 -0.028 0.000 0.216 62 A C 2.460 179.965 177.584 -0.133 0.000 1.190 62 A CA 1.833 53.718 52.037 -0.253 0.000 0.617 62 A CB -1.516 17.193 19.000 -0.484 0.000 0.827 62 A HN 0.432 nan 8.150 nan 0.000 0.443 63 G N -1.475 107.310 108.800 -0.024 0.000 2.440 63 G HA2 -0.318 3.625 3.960 -0.028 0.000 0.218 63 G HA3 -0.318 3.625 3.960 -0.028 0.000 0.218 63 G C 1.402 176.350 174.900 0.079 0.000 1.154 63 G CA 1.248 46.378 45.100 0.049 0.000 0.767 63 G HN 0.711 nan 8.290 nan 0.000 0.552 64 W N 1.158 122.385 121.300 -0.122 0.000 2.358 64 W HA 0.058 4.702 4.660 -0.027 0.000 0.303 64 W C 2.179 178.620 176.519 -0.130 0.000 1.208 64 W CA 1.198 58.461 57.345 -0.136 0.000 1.274 64 W CB -0.380 28.956 29.460 -0.208 0.000 1.138 64 W HN 0.142 nan 8.180 nan 0.000 0.515 65 L N -0.086 120.900 121.223 -0.394 0.000 2.209 65 L HA -0.107 4.217 4.340 -0.028 0.000 0.207 65 L C 2.489 179.213 176.870 -0.243 0.000 1.094 65 L CA 0.645 55.126 54.840 -0.597 0.000 0.790 65 L CB -0.726 40.985 42.059 -0.580 0.000 0.932 65 L HN -0.009 nan 8.230 nan 0.000 0.447 66 L N -0.387 120.687 121.223 -0.248 0.000 2.109 66 L HA 0.014 4.338 4.340 -0.028 0.000 0.207 66 L C 1.317 178.130 176.870 -0.095 0.000 1.086 66 L CA 1.033 55.662 54.840 -0.352 0.000 0.760 66 L CB -0.464 41.084 42.059 -0.852 0.000 0.910 66 L HN 0.520 nan 8.230 nan 0.000 0.437 67 G N 0.299 109.102 108.800 0.005 0.000 2.173 67 G HA2 -0.225 3.719 3.960 -0.028 0.000 0.174 67 G HA3 -0.225 3.719 3.960 -0.028 0.000 0.174 67 G C -0.024 174.960 174.900 0.140 0.000 1.025 67 G CA -0.267 44.876 45.100 0.073 0.000 0.706 67 G HN 0.293 nan 8.290 nan 0.000 0.499 68 N N 0.772 119.586 118.700 0.191 0.000 2.365 68 N HA 0.111 4.834 4.740 -0.028 0.000 0.265 68 N C -0.493 175.046 175.510 0.049 0.000 1.288 68 N CA -0.654 52.470 53.050 0.123 0.000 0.869 68 N CB 1.153 39.723 38.487 0.138 0.000 1.071 68 N HN 0.111 nan 8.380 nan 0.000 0.480 69 P HA -0.092 nan 4.420 nan 0.000 0.219 69 P C 0.583 177.891 177.300 0.013 0.000 1.146 69 P CA 0.978 64.081 63.100 0.005 0.000 0.808 69 P CB 0.289 31.980 31.700 -0.014 0.000 0.779 70 E N -1.663 118.544 120.200 0.011 0.000 2.526 70 E HA -0.065 4.269 4.350 -0.028 0.000 0.198 70 E C 0.567 177.178 176.600 0.019 0.000 1.091 70 E CA 0.491 56.898 56.400 0.011 0.000 0.880 70 E CB -1.080 28.625 29.700 0.008 0.000 0.873 70 E HN 0.188 nan 8.360 nan 0.000 0.527 71 c N -0.307 118.315 118.600 0.036 0.000 3.336 71 c HA 0.184 4.737 4.570 -0.028 0.000 0.291 71 c C 1.469 175.597 174.090 0.062 0.000 1.363 71 c CA -0.679 55.683 56.329 0.055 0.000 1.737 71 c CB -0.064 42.508 42.510 0.104 0.000 2.274 71 c HN 0.342 nan 8.230 nan 0.000 0.663 72 D N 2.142 122.569 120.400 0.044 0.000 2.191 72 D HA -0.164 4.459 4.640 -0.028 0.000 0.195 72 D C 1.734 178.054 176.300 0.035 0.000 1.003 72 D CA 1.320 55.343 54.000 0.039 0.000 0.867 72 D CB -0.183 40.633 40.800 0.026 0.000 0.926 72 D HN 0.581 nan 8.370 nan 0.000 0.450 73 R N -0.032 120.479 120.500 0.019 0.000 2.449 73 R HA 0.250 4.573 4.340 -0.028 0.000 0.262 73 R C 0.426 176.721 176.300 -0.008 0.000 1.006 73 R CA -0.231 55.872 56.100 0.005 0.000 1.104 73 R CB 0.165 30.462 30.300 -0.005 0.000 1.206 73 R HN 0.142 nan 8.270 nan 0.000 0.538 74 L N 0.930 122.155 121.223 0.003 0.000 2.417 74 L HA 0.058 4.382 4.340 -0.028 0.000 0.268 74 L C 1.636 178.486 176.870 -0.034 0.000 1.158 74 L CA -0.030 54.784 54.840 -0.043 0.000 0.819 74 L CB 0.771 42.797 42.059 -0.054 0.000 1.112 74 L HN 0.190 nan 8.230 nan 0.000 0.458 75 L N 1.168 122.335 121.223 -0.093 0.000 1.988 75 L HA -0.076 4.248 4.340 -0.028 0.000 0.207 75 L C 0.716 177.574 176.870 -0.020 0.000 1.071 75 L CA 0.763 55.565 54.840 -0.064 0.000 0.744 75 L CB 0.145 42.144 42.059 -0.101 0.000 0.893 75 L HN 0.834 nan 8.230 nan 0.000 0.433 76 S N -0.872 114.786 115.700 -0.069 0.000 2.994 76 S HA -0.093 4.360 4.470 -0.028 0.000 0.848 76 S C -0.502 174.157 174.600 0.099 0.000 0.929 76 S CA 0.105 58.335 58.200 0.051 0.000 1.388 76 S CB -0.480 62.863 63.200 0.239 0.000 1.001 76 S HN 0.251 nan 8.310 nan 0.000 0.347 77 V N 4.587 124.586 119.914 0.142 0.000 2.994 77 V HA 0.604 4.707 4.120 -0.028 0.000 0.318 77 V C -1.734 174.558 176.094 0.330 0.000 1.085 77 V CA -1.652 60.766 62.300 0.198 0.000 0.998 77 V CB 1.574 33.501 31.823 0.173 0.000 1.063 77 V HN 0.606 nan 8.190 nan 0.000 0.447 78 P HA 0.232 nan 4.420 nan 0.000 0.255 78 P C -0.133 177.209 177.300 0.071 0.000 1.248 78 P CA 0.434 63.632 63.100 0.164 0.000 0.807 78 P CB 0.378 32.166 31.700 0.147 0.000 1.150 79 E N 0.072 120.329 120.200 0.095 0.000 2.451 79 E HA 0.401 4.735 4.350 -0.028 0.000 0.295 79 E C -1.984 174.643 176.600 0.045 0.000 0.966 79 E CA -0.861 55.484 56.400 -0.092 0.000 0.808 79 E CB 1.128 30.807 29.700 -0.035 0.000 1.242 79 E HN -0.015 nan 8.360 nan 0.000 0.412 80 W N 2.542 123.797 121.300 -0.075 0.000 3.118 80 W HA 0.549 5.192 4.660 -0.028 0.000 0.328 80 W C -0.179 176.291 176.519 -0.083 0.000 1.239 80 W CA -0.246 57.025 57.345 -0.124 0.000 1.176 80 W CB 0.521 29.847 29.460 -0.222 0.000 1.433 80 W HN 0.294 nan 8.180 nan 0.000 0.562 81 S N -0.397 115.439 115.700 0.228 0.000 2.505 81 S HA 0.361 4.815 4.470 -0.028 0.000 0.216 81 S C -0.089 174.785 174.600 0.456 0.000 1.018 81 S CA 0.575 58.922 58.200 0.246 0.000 0.911 81 S CB -0.446 62.917 63.200 0.270 0.000 0.818 81 S HN 0.866 nan 8.310 nan 0.000 0.497 82 Y N -1.157 119.257 120.300 0.190 0.000 2.840 82 Y HA 0.773 5.307 4.550 -0.026 0.000 0.324 82 Y C -1.392 174.501 175.900 -0.012 0.000 1.378 82 Y CA -1.906 56.261 58.100 0.112 0.000 1.077 82 Y CB 0.754 39.235 38.460 0.034 0.000 1.361 82 Y HN -0.066 nan 8.280 nan 0.000 0.459 83 I N 2.587 123.101 120.570 -0.094 0.000 2.465 83 I HA 0.386 4.539 4.170 -0.028 0.000 0.291 83 I C -0.804 175.148 176.117 -0.276 0.000 1.014 83 I CA -0.889 60.176 61.300 -0.392 0.000 1.093 83 I CB 1.987 39.743 38.000 -0.406 0.000 1.267 83 I HN 0.499 nan 8.210 nan 0.000 0.431 84 M N 5.733 125.103 119.600 -0.385 0.000 2.209 84 M HA 0.425 4.888 4.480 -0.028 0.000 0.355 84 M C -0.513 175.629 176.300 -0.263 0.000 1.171 84 M CA -0.061 55.088 55.300 -0.251 0.000 1.069 84 M CB 1.492 33.937 32.600 -0.257 0.000 1.622 84 M HN 0.527 nan 8.290 nan 0.000 0.459 85 E N 2.509 122.599 120.200 -0.185 0.000 2.372 85 E HA 0.349 4.682 4.350 -0.028 0.000 0.279 85 E C -1.466 175.063 176.600 -0.117 0.000 0.946 85 E CA -0.713 55.584 56.400 -0.173 0.000 0.769 85 E CB 2.353 31.948 29.700 -0.176 0.000 1.230 85 E HN 0.556 nan 8.360 nan 0.000 0.442 86 K N 1.606 121.946 120.400 -0.100 0.000 2.202 86 K HA 0.120 4.424 4.320 -0.028 0.000 0.264 86 K C -0.267 176.302 176.600 -0.051 0.000 1.010 86 K CA -0.414 55.831 56.287 -0.070 0.000 0.940 86 K CB 0.743 33.207 32.500 -0.060 0.000 0.983 86 K HN 0.375 nan 8.250 nan 0.000 0.475 87 E N 2.902 123.080 120.200 -0.037 0.000 2.351 87 E HA -0.056 4.277 4.350 -0.028 0.000 0.266 87 E C -0.968 175.625 176.600 -0.012 0.000 1.031 87 E CA 0.098 56.486 56.400 -0.020 0.000 0.911 87 E CB -0.061 29.632 29.700 -0.012 0.000 0.986 87 E HN 0.439 nan 8.360 nan 0.000 0.446 88 N N 4.048 122.747 118.700 -0.002 0.000 2.537 88 N HA -0.154 4.569 4.740 -0.028 0.000 0.286 88 N C -2.317 173.190 175.510 -0.004 0.000 1.245 88 N CA 0.409 53.462 53.050 0.006 0.000 0.704 88 N CB -1.001 37.492 38.487 0.009 0.000 0.910 88 N HN 0.433 nan 8.380 nan 0.000 0.542 89 P HA -0.012 nan 4.420 nan 0.000 0.214 89 P C 1.162 178.458 177.300 -0.007 0.000 1.206 89 P CA 0.827 63.917 63.100 -0.017 0.000 0.715 89 P CB 0.384 32.073 31.700 -0.018 0.000 0.633 90 R N -3.475 117.024 120.500 -0.001 0.000 2.305 90 R HA 0.044 4.367 4.340 -0.028 0.000 0.040 90 R C -0.850 175.458 176.300 0.013 0.000 0.818 90 R CA 0.068 56.171 56.100 0.004 0.000 3.145 90 R CB -0.143 30.154 30.300 -0.004 0.000 1.118 90 R HN 0.107 nan 8.270 nan 0.000 0.538 91 D N 1.467 121.874 120.400 0.011 0.000 2.485 91 D HA 0.335 4.959 4.640 -0.028 0.000 0.221 91 D C -0.056 176.268 176.300 0.042 0.000 1.112 91 D CA 0.291 54.307 54.000 0.026 0.000 0.911 91 D CB 1.488 42.299 40.800 0.019 0.000 1.019 91 D HN 0.484 nan 8.370 nan 0.000 0.516 92 G N 0.905 109.739 108.800 0.058 0.000 2.851 92 G HA2 0.221 4.164 3.960 -0.028 0.000 0.208 92 G HA3 0.221 4.164 3.960 -0.028 0.000 0.208 92 G C 0.039 175.016 174.900 0.129 0.000 1.894 92 G CA -0.391 44.746 45.100 0.063 0.000 0.732 92 G HN 0.344 nan 8.290 nan 0.000 0.802 93 L N 2.979 124.290 121.223 0.146 0.000 2.375 93 L HA 0.140 4.463 4.340 -0.028 0.000 0.276 93 L C 2.043 179.078 176.870 0.276 0.000 1.162 93 L CA -0.711 54.302 54.840 0.288 0.000 0.991 93 L CB 0.358 42.578 42.059 0.268 0.000 1.315 93 L HN 0.693 nan 8.230 nan 0.000 0.431 94 c N 1.382 120.131 118.600 0.247 0.000 2.413 94 c HA -0.213 4.341 4.570 -0.028 0.000 0.276 94 c C 1.285 175.448 174.090 0.121 0.000 1.236 94 c CA 0.053 56.437 56.329 0.092 0.000 1.735 94 c CB -0.938 41.545 42.510 -0.045 0.000 2.031 94 c HN 0.592 nan 8.230 nan 0.000 0.474 95 Y N 4.758 125.124 120.300 0.110 0.000 2.365 95 Y HA 0.434 4.967 4.550 -0.028 0.000 0.340 95 Y C -1.890 174.191 175.900 0.301 0.000 1.016 95 Y CA -2.577 55.653 58.100 0.216 0.000 1.196 95 Y CB 0.629 39.280 38.460 0.318 0.000 1.167 95 Y HN 0.265 nan 8.280 nan 0.000 0.509 96 P HA 0.312 nan 4.420 nan 0.000 0.269 96 P C -0.096 177.390 177.300 0.310 0.000 1.209 96 P CA 0.461 63.663 63.100 0.170 0.000 0.776 96 P CB 1.633 33.346 31.700 0.020 0.000 0.876 97 G N 0.737 109.686 108.800 0.249 0.000 2.513 97 G HA2 0.452 4.395 3.960 -0.028 0.000 0.182 97 G HA3 0.452 4.395 3.960 -0.028 0.000 0.182 97 G C -1.275 173.738 174.900 0.188 0.000 1.190 97 G CA 0.140 45.382 45.100 0.237 0.000 0.987 97 G HN 0.820 nan 8.290 nan 0.000 0.479 98 S N -1.595 114.216 115.700 0.184 0.000 2.615 98 S HA 0.743 5.197 4.470 -0.028 0.000 0.269 98 S C -1.873 172.841 174.600 0.189 0.000 1.161 98 S CA -0.685 57.613 58.200 0.164 0.000 0.817 98 S CB 2.137 65.412 63.200 0.124 0.000 1.131 98 S HN 1.397 nan 8.310 nan 0.000 0.467 99 F N 1.954 121.922 119.950 0.031 0.000 2.646 99 F HA 0.436 4.947 4.527 -0.027 0.000 0.364 99 F C -0.300 175.580 175.800 0.134 0.000 1.137 99 F CA -0.629 57.394 58.000 0.039 0.000 1.085 99 F CB 1.118 39.981 39.000 -0.229 0.000 1.331 99 F HN 0.593 nan 8.300 nan 0.000 0.472 100 N N 5.000 123.843 118.700 0.238 0.000 2.357 100 N HA -0.043 4.680 4.740 -0.028 0.000 0.257 100 N C -0.094 175.703 175.510 0.479 0.000 1.250 100 N CA 1.041 54.243 53.050 0.253 0.000 0.862 100 N CB 0.292 38.823 38.487 0.074 0.000 1.066 100 N HN 0.625 nan 8.380 nan 0.000 0.468 101 D N 0.585 121.227 120.400 0.404 0.000 2.772 101 D HA -0.257 4.366 4.640 -0.028 0.000 0.233 101 D C 0.779 177.454 176.300 0.625 0.000 1.143 101 D CA 0.463 54.744 54.000 0.468 0.000 0.700 101 D CB -1.204 39.849 40.800 0.422 0.000 1.076 101 D HN 0.617 nan 8.370 nan 0.000 0.430 102 Y N 0.874 121.380 120.300 0.342 0.000 2.165 102 Y HA -0.207 4.327 4.550 -0.027 0.000 0.286 102 Y C 2.073 177.962 175.900 -0.017 0.000 1.155 102 Y CA 2.369 60.523 58.100 0.089 0.000 1.164 102 Y CB -0.068 38.407 38.460 0.026 0.000 0.978 102 Y HN 0.024 nan 8.280 nan 0.000 0.513 103 E N 0.001 120.192 120.200 -0.016 0.000 2.110 103 E HA -0.160 4.173 4.350 -0.028 0.000 0.193 103 E C 2.123 178.681 176.600 -0.069 0.000 0.988 103 E CA 1.367 57.676 56.400 -0.152 0.000 0.804 103 E CB -0.158 29.499 29.700 -0.072 0.000 0.745 103 E HN 0.432 nan 8.360 nan 0.000 0.458 104 E N -0.007 120.254 120.200 0.101 0.000 2.150 104 E HA -0.132 4.201 4.350 -0.028 0.000 0.193 104 E C 2.036 178.722 176.600 0.144 0.000 0.985 104 E CA 0.440 56.962 56.400 0.204 0.000 0.814 104 E CB -0.130 29.800 29.700 0.385 0.000 0.752 104 E HN 0.191 nan 8.360 nan 0.000 0.466 105 L N 1.798 122.998 121.223 -0.038 0.000 2.056 105 L HA -0.150 4.173 4.340 -0.028 0.000 0.207 105 L C 1.989 178.638 176.870 -0.368 0.000 1.078 105 L CA 1.725 56.249 54.840 -0.526 0.000 0.749 105 L CB -0.221 41.279 42.059 -0.931 0.000 0.901 105 L HN -0.079 nan 8.230 nan 0.000 0.433 106 K N -1.295 118.884 120.400 -0.369 0.000 2.026 106 K HA -0.249 4.055 4.320 -0.028 0.000 0.208 106 K C 2.187 178.695 176.600 -0.152 0.000 1.048 106 K CA 1.620 57.712 56.287 -0.325 0.000 0.929 106 K CB -0.831 31.409 32.500 -0.433 0.000 0.713 106 K HN 0.550 nan 8.250 nan 0.000 0.439 107 H N 1.282 120.252 119.070 -0.167 0.000 2.387 107 H HA -0.120 4.419 4.556 -0.028 0.000 0.299 107 H C 2.152 177.455 175.328 -0.040 0.000 1.099 107 H CA 1.369 57.365 56.048 -0.087 0.000 1.315 107 H CB 0.123 29.847 29.762 -0.064 0.000 1.380 107 H HN 0.086 nan 8.280 nan 0.000 0.513 108 L N 0.554 121.747 121.223 -0.049 0.000 2.056 108 L HA -0.133 4.190 4.340 -0.028 0.000 0.207 108 L C 1.995 178.819 176.870 -0.077 0.000 1.078 108 L CA 1.114 55.918 54.840 -0.059 0.000 0.749 108 L CB -0.551 41.503 42.059 -0.008 0.000 0.901 108 L HN 0.174 nan 8.230 nan 0.000 0.433 109 L N -0.236 120.943 121.223 -0.074 0.000 2.478 109 L HA 0.011 4.334 4.340 -0.028 0.000 0.223 109 L C 2.732 179.708 176.870 0.177 0.000 1.140 109 L CA 1.536 56.403 54.840 0.045 0.000 0.842 109 L CB -1.476 40.575 42.059 -0.013 0.000 0.953 109 L HN 0.578 nan 8.230 nan 0.000 0.452 110 S N -2.130 113.584 115.700 0.023 0.000 2.420 110 S HA -0.093 4.361 4.470 -0.028 0.000 0.237 110 S C 1.058 175.796 174.600 0.229 0.000 1.023 110 S CA 0.904 59.143 58.200 0.066 0.000 0.991 110 S CB -0.214 62.953 63.200 -0.055 0.000 0.792 110 S HN 0.391 nan 8.310 nan 0.000 0.488 111 S N -0.715 115.039 115.700 0.091 0.000 2.603 111 S HA 0.607 5.061 4.470 -0.028 0.000 0.274 111 S C -1.462 172.914 174.600 -0.374 0.000 1.168 111 S CA -0.624 57.522 58.200 -0.090 0.000 0.963 111 S CB 1.729 64.888 63.200 -0.067 0.000 1.078 111 S HN 0.249 nan 8.310 nan 0.000 0.477 112 V N 6.070 125.491 119.914 -0.821 0.000 2.686 112 V HA 0.482 4.586 4.120 -0.028 0.000 0.306 112 V C 0.948 176.705 176.094 -0.562 0.000 1.065 112 V CA -0.726 61.112 62.300 -0.770 0.000 0.894 112 V CB 2.024 33.078 31.823 -1.283 0.000 1.004 112 V HN 1.013 nan 8.190 nan 0.000 0.424 113 K N 2.873 123.102 120.400 -0.284 0.000 2.062 113 K HA 0.028 4.331 4.320 -0.028 0.000 0.205 113 K C 0.601 177.170 176.600 -0.052 0.000 1.051 113 K CA 1.089 57.286 56.287 -0.150 0.000 0.941 113 K CB 0.134 32.589 32.500 -0.075 0.000 0.719 113 K HN 0.762 nan 8.250 nan 0.000 0.440 114 H N -1.644 117.343 119.070 -0.139 0.000 2.865 114 H HA 0.232 4.771 4.556 -0.028 0.000 0.362 114 H C -2.132 173.228 175.328 0.054 0.000 1.114 114 H CA -0.761 55.258 56.048 -0.047 0.000 1.208 114 H CB 1.406 31.155 29.762 -0.021 0.000 1.727 114 H HN 0.056 nan 8.280 nan 0.000 0.534 115 F N 4.522 124.034 119.950 -0.731 0.000 2.941 115 F HA 0.245 4.756 4.527 -0.027 0.000 0.359 115 F C -1.393 174.232 175.800 -0.291 0.000 1.231 115 F CA -0.354 57.437 58.000 -0.349 0.000 1.089 115 F CB 1.060 39.993 39.000 -0.112 0.000 1.407 115 F HN 0.561 nan 8.300 nan 0.000 0.538 116 E N 5.830 125.686 120.200 -0.572 0.000 2.224 116 E HA 0.253 4.586 4.350 -0.028 0.000 0.265 116 E C -1.260 175.159 176.600 -0.302 0.000 0.878 116 E CA -0.926 55.291 56.400 -0.305 0.000 0.759 116 E CB 1.588 31.235 29.700 -0.089 0.000 1.164 116 E HN 0.516 nan 8.360 nan 0.000 0.414 117 K N 3.292 123.569 120.400 -0.205 0.000 2.322 117 K HA 0.253 4.557 4.320 -0.028 0.000 0.283 117 K C -0.939 175.545 176.600 -0.195 0.000 1.042 117 K CA -0.296 55.817 56.287 -0.291 0.000 0.958 117 K CB 1.176 33.536 32.500 -0.232 0.000 0.984 117 K HN 0.354 nan 8.250 nan 0.000 0.473 118 V N 3.340 123.120 119.914 -0.224 0.000 2.686 118 V HA 0.343 4.447 4.120 -0.028 0.000 0.306 118 V C -1.007 175.032 176.094 -0.093 0.000 1.065 118 V CA -1.023 61.216 62.300 -0.101 0.000 0.894 118 V CB 1.667 33.429 31.823 -0.102 0.000 1.004 118 V HN 0.825 nan 8.190 nan 0.000 0.424 119 K N 4.780 125.160 120.400 -0.034 0.000 2.412 119 K HA 0.326 4.629 4.320 -0.028 0.000 0.284 119 K C 0.846 177.252 176.600 -0.324 0.000 1.046 119 K CA 0.588 56.722 56.287 -0.255 0.000 0.999 119 K CB 0.574 32.949 32.500 -0.208 0.000 0.941 119 K HN 0.858 nan 8.250 nan 0.000 0.474 120 I N 1.479 121.772 120.570 -0.461 0.000 4.312 120 I HA 0.164 4.318 4.170 -0.028 0.000 0.324 120 I C -0.269 175.637 176.117 -0.352 0.000 1.298 120 I CA -0.294 60.634 61.300 -0.620 0.000 1.231 120 I CB 0.456 37.791 38.000 -1.109 0.000 1.152 120 I HN 0.298 nan 8.210 nan 0.000 0.421 121 L N 3.468 124.500 121.223 -0.318 0.000 2.489 121 L HA 0.538 4.861 4.340 -0.028 0.000 0.257 121 L C -2.668 174.038 176.870 -0.273 0.000 1.215 121 L CA -1.521 53.160 54.840 -0.266 0.000 0.915 121 L CB 1.278 43.219 42.059 -0.196 0.000 1.146 121 L HN -0.177 nan 8.230 nan 0.000 0.494 122 P HA -0.062 nan 4.420 nan 0.000 0.260 122 P C 0.676 177.886 177.300 -0.150 0.000 1.172 122 P CA 0.259 63.230 63.100 -0.215 0.000 0.760 122 P CB 0.774 32.370 31.700 -0.173 0.000 0.773 123 K N 2.872 123.242 120.400 -0.048 0.000 2.113 123 K HA -0.231 4.072 4.320 -0.028 0.000 0.208 123 K C 0.414 177.082 176.600 0.113 0.000 1.047 123 K CA 2.028 58.382 56.287 0.111 0.000 0.928 123 K CB -0.141 32.410 32.500 0.084 0.000 0.716 123 K HN 0.425 nan 8.250 nan 0.000 0.446 124 D N -0.718 119.691 120.400 0.016 0.000 2.355 124 D HA -0.018 4.606 4.640 -0.028 0.000 0.218 124 D C 1.290 177.580 176.300 -0.016 0.000 1.004 124 D CA 0.456 54.467 54.000 0.018 0.000 0.880 124 D CB 0.182 40.982 40.800 -0.000 0.000 0.911 124 D HN 0.154 nan 8.370 nan 0.000 0.528 125 R N -0.481 119.953 120.500 -0.110 0.000 2.275 125 R HA 0.071 4.394 4.340 -0.028 0.000 0.199 125 R C 0.113 176.302 176.300 -0.185 0.000 0.989 125 R CA 0.081 56.070 56.100 -0.185 0.000 1.016 125 R CB 0.030 30.156 30.300 -0.290 0.000 0.918 125 R HN 0.254 nan 8.270 nan 0.000 0.473 126 W N 2.878 124.160 121.300 -0.031 0.000 1.371 126 W HA 0.021 4.665 4.660 -0.028 0.000 0.482 126 W C 0.666 177.195 176.519 0.016 0.000 0.640 126 W CA -0.395 56.943 57.345 -0.011 0.000 2.164 126 W CB -0.315 29.120 29.460 -0.042 0.000 1.613 126 W HN -0.021 nan 8.180 nan 0.000 0.212 127 T N -2.471 112.184 114.554 0.169 0.000 2.766 127 T HA 0.117 4.451 4.350 -0.028 0.000 0.295 127 T C 0.932 175.696 174.700 0.108 0.000 1.024 127 T CA 0.185 62.345 62.100 0.101 0.000 1.018 127 T CB 1.299 70.187 68.868 0.034 0.000 1.002 127 T HN 0.535 nan 8.240 nan 0.000 0.532 128 Q N -1.022 118.768 119.800 -0.017 0.000 2.325 128 Q HA -0.191 4.133 4.340 -0.028 0.000 0.153 128 Q C -0.242 175.470 176.000 -0.481 0.000 0.593 128 Q CA 1.761 57.445 55.803 -0.198 0.000 1.337 128 Q CB -1.259 27.365 28.738 -0.190 0.000 1.265 128 Q HN 0.895 nan 8.270 nan 0.000 0.987 129 H N -0.391 118.643 119.070 -0.061 0.000 2.690 129 H HA 0.350 4.889 4.556 -0.028 0.000 0.368 129 H C -0.284 174.997 175.328 -0.078 0.000 1.150 129 H CA -0.378 55.586 56.048 -0.141 0.000 1.174 129 H CB 1.731 31.325 29.762 -0.281 0.000 1.684 129 H HN -0.084 nan 8.280 nan 0.000 0.538 130 T N 1.078 115.647 114.554 0.024 0.000 2.907 130 T HA 0.073 4.406 4.350 -0.028 0.000 0.298 130 T C 1.087 175.773 174.700 -0.024 0.000 1.017 130 T CA 0.115 62.213 62.100 -0.003 0.000 1.118 130 T CB 0.975 69.827 68.868 -0.028 0.000 0.948 130 T HN 0.609 nan 8.240 nan 0.000 0.531 131 T N 0.567 115.106 114.554 -0.025 0.000 3.058 131 T HA 0.097 4.430 4.350 -0.028 0.000 0.278 131 T C 1.862 176.531 174.700 -0.052 0.000 0.974 131 T CA 0.150 62.228 62.100 -0.037 0.000 0.893 131 T CB 0.047 68.942 68.868 0.044 0.000 1.138 131 T HN 0.784 nan 8.240 nan 0.000 0.529 132 T N -1.139 113.381 114.554 -0.058 0.000 3.081 132 T HA 0.317 4.651 4.350 -0.028 0.000 0.250 132 T C 1.317 175.960 174.700 -0.096 0.000 1.100 132 T CA 0.039 62.110 62.100 -0.050 0.000 1.038 132 T CB -0.082 68.769 68.868 -0.030 0.000 0.962 132 T HN 0.296 nan 8.240 nan 0.000 0.516 133 G N 0.192 108.888 108.800 -0.173 0.000 2.474 133 G HA2 0.456 4.399 3.960 -0.028 0.000 0.233 133 G HA3 0.456 4.399 3.960 -0.028 0.000 0.233 133 G C 0.190 174.913 174.900 -0.294 0.000 1.278 133 G CA 0.013 44.964 45.100 -0.247 0.000 0.861 133 G HN 0.734 nan 8.290 nan 0.000 0.567 134 G N -1.079 107.606 108.800 -0.192 0.000 2.682 134 G HA2 0.721 4.664 3.960 -0.028 0.000 0.303 134 G HA3 0.721 4.664 3.960 -0.028 0.000 0.303 134 G C -1.078 173.836 174.900 0.024 0.000 1.341 134 G CA 0.420 45.483 45.100 -0.061 0.000 0.784 134 G HN 1.471 nan 8.290 nan 0.000 0.497 135 S N -1.820 113.957 115.700 0.128 0.000 2.547 135 S HA 0.459 4.912 4.470 -0.028 0.000 0.270 135 S C 0.378 175.041 174.600 0.104 0.000 1.150 135 S CA -0.500 57.796 58.200 0.160 0.000 0.850 135 S CB 1.893 65.316 63.200 0.372 0.000 1.118 135 S HN 0.596 nan 8.310 nan 0.000 0.461 136 R N 1.420 121.960 120.500 0.066 0.000 2.307 136 R HA 0.151 4.474 4.340 -0.028 0.000 0.199 136 R C 1.961 178.272 176.300 0.019 0.000 1.000 136 R CA 0.920 57.040 56.100 0.033 0.000 1.023 136 R CB -0.308 30.002 30.300 0.018 0.000 0.908 136 R HN 0.668 nan 8.270 nan 0.000 0.473 137 A N -0.121 122.714 122.820 0.026 0.000 2.014 137 A HA -0.085 4.218 4.320 -0.028 0.000 0.218 137 A C 1.214 178.794 177.584 -0.007 0.000 1.163 137 A CA 0.680 52.712 52.037 -0.009 0.000 0.652 137 A CB 0.101 19.056 19.000 -0.074 0.000 0.808 137 A HN 0.346 nan 8.150 nan 0.000 0.449 138 c N 0.903 119.506 118.600 0.005 0.000 2.429 138 c HA 0.661 5.215 4.570 -0.028 0.000 0.310 138 c C 1.029 175.106 174.090 -0.022 0.000 1.446 138 c CA -0.938 55.352 56.329 -0.065 0.000 1.747 138 c CB -1.683 40.725 42.510 -0.171 0.000 2.865 138 c HN 0.596 nan 8.230 nan 0.000 0.554 139 A N 0.716 123.532 122.820 -0.006 0.000 2.409 139 A HA 0.539 4.843 4.320 -0.028 0.000 0.262 139 A C -0.204 177.380 177.584 0.000 0.000 1.113 139 A CA 0.039 52.078 52.037 0.004 0.000 0.790 139 A CB 0.470 19.474 19.000 0.005 0.000 1.046 139 A HN 0.640 nan 8.150 nan 0.000 0.496 140 V N 3.020 122.938 119.914 0.007 0.000 2.407 140 V HA 0.530 4.634 4.120 -0.028 0.000 0.291 140 V C 0.153 176.252 176.094 0.009 0.000 1.018 140 V CA 0.475 62.779 62.300 0.007 0.000 0.842 140 V CB 0.565 32.395 31.823 0.011 0.000 0.996 140 V HN 1.477 nan 8.190 nan 0.000 0.426 141 S N 4.825 120.529 115.700 0.007 0.000 3.797 141 S HA -0.154 4.299 4.470 -0.028 0.000 0.374 141 S C 1.416 176.020 174.600 0.007 0.000 0.970 141 S CA 1.360 59.564 58.200 0.006 0.000 1.177 141 S CB -1.565 61.639 63.200 0.008 0.000 0.891 141 S HN 2.678 nan 8.310 nan 0.000 0.491 142 G N 0.090 108.893 108.800 0.006 0.000 2.238 142 G HA2 -0.381 3.562 3.960 -0.028 0.000 0.270 142 G HA3 -0.381 3.562 3.960 -0.028 0.000 0.270 142 G C -0.069 174.835 174.900 0.008 0.000 0.977 142 G CA 0.626 45.730 45.100 0.006 0.000 0.639 142 G HN 0.668 nan 8.290 nan 0.000 0.544 143 N N 1.301 120.007 118.700 0.010 0.000 2.473 143 N HA 0.507 5.230 4.740 -0.028 0.000 0.291 143 N C -2.721 172.800 175.510 0.018 0.000 1.083 143 N CA -1.819 51.238 53.050 0.013 0.000 0.951 143 N CB 1.268 39.763 38.487 0.013 0.000 1.164 143 N HN -0.028 nan 8.380 nan 0.000 0.480 144 P HA 0.048 nan 4.420 nan 0.000 0.262 144 P C -0.222 177.103 177.300 0.042 0.000 1.199 144 P CA 0.455 63.574 63.100 0.032 0.000 0.763 144 P CB 0.651 32.366 31.700 0.024 0.000 0.790 145 S N 3.159 118.893 115.700 0.056 0.000 2.788 145 S HA 0.825 5.279 4.470 -0.028 0.000 0.291 145 S C -1.235 173.466 174.600 0.168 0.000 1.061 145 S CA -0.392 57.858 58.200 0.084 0.000 0.923 145 S CB 0.417 63.648 63.200 0.051 0.000 1.339 145 S HN 0.246 nan 8.310 nan 0.000 0.591 146 F N -0.307 119.600 119.950 -0.072 0.000 2.817 146 F HA 0.519 5.029 4.527 -0.027 0.000 0.317 146 F C -1.759 173.977 175.800 -0.106 0.000 1.168 146 F CA -1.714 56.209 58.000 -0.128 0.000 0.911 146 F CB 0.499 39.484 39.000 -0.024 0.000 1.337 146 F HN 0.580 nan 8.300 nan 0.000 0.464 147 F N 4.350 123.796 119.950 -0.841 0.000 2.593 147 F HA 0.142 4.652 4.527 -0.028 0.000 0.393 147 F C 1.692 177.400 175.800 -0.153 0.000 1.037 147 F CA 0.070 57.754 58.000 -0.527 0.000 1.195 147 F CB 0.364 38.910 39.000 -0.757 0.000 1.034 147 F HN 0.265 nan 8.300 nan 0.000 0.552 148 R N 2.004 122.573 120.500 0.116 0.000 2.152 148 R HA -0.143 4.180 4.340 -0.028 0.000 0.232 148 R C 1.036 177.462 176.300 0.210 0.000 1.117 148 R CA 0.939 57.122 56.100 0.139 0.000 0.981 148 R CB -0.221 30.125 30.300 0.077 0.000 0.870 148 R HN 0.610 nan 8.270 nan 0.000 0.451 149 N N -0.629 118.189 118.700 0.197 0.000 2.325 149 N HA 0.070 4.793 4.740 -0.028 0.000 0.182 149 N C 0.253 175.934 175.510 0.285 0.000 1.088 149 N CA 0.430 53.660 53.050 0.301 0.000 0.879 149 N CB 0.412 39.013 38.487 0.190 0.000 0.983 149 N HN 0.038 nan 8.380 nan 0.000 0.471 150 M N 0.453 120.206 119.600 0.255 0.000 2.598 150 M HA 0.441 4.905 4.480 -0.028 0.000 0.317 150 M C 0.230 176.790 176.300 0.433 0.000 1.201 150 M CA -0.860 54.626 55.300 0.311 0.000 0.971 150 M CB 1.803 34.594 32.600 0.318 0.000 1.657 150 M HN -0.375 nan 8.290 nan 0.000 0.470 154 T N -1.486 113.108 114.554 0.066 0.000 2.927 154 T HA 0.775 5.108 4.350 -0.028 0.000 0.286 154 T C -0.183 174.633 174.700 0.193 0.000 1.040 154 T CA -0.990 61.169 62.100 0.099 0.000 1.010 154 T CB 1.768 70.567 68.868 -0.115 0.000 1.177 154 T HN 0.546 nan 8.240 nan 0.000 0.546 155 E N 0.435 120.732 120.200 0.161 0.000 2.392 155 E HA 0.221 4.554 4.350 -0.028 0.000 0.264 155 E C -0.498 176.111 176.600 0.015 0.000 1.024 155 E CA -0.723 55.757 56.400 0.134 0.000 0.903 155 E CB 0.614 30.373 29.700 0.097 0.000 0.963 155 E HN 0.626 nan 8.360 nan 0.000 0.432 156 K N 2.153 122.535 120.400 -0.029 0.000 2.483 156 K HA 0.337 4.641 4.320 -0.028 0.000 0.256 156 K C 0.327 176.898 176.600 -0.049 0.000 0.961 156 K CA 0.122 56.377 56.287 -0.052 0.000 0.873 156 K CB 0.911 33.361 32.500 -0.084 0.000 1.107 156 K HN 0.861 nan 8.250 nan 0.000 0.432 157 G N 1.975 110.756 108.800 -0.033 0.000 2.383 157 G HA2 -0.280 3.663 3.960 -0.028 0.000 0.229 157 G HA3 -0.280 3.663 3.960 -0.028 0.000 0.229 157 G C 0.223 175.113 174.900 -0.018 0.000 1.089 157 G CA 0.307 45.391 45.100 -0.027 0.000 0.640 157 G HN 0.769 nan 8.290 nan 0.000 0.510 158 S N -0.537 115.156 115.700 -0.012 0.000 4.588 158 S HA 0.025 4.479 4.470 -0.028 0.000 0.069 158 S C -0.833 173.776 174.600 0.015 0.000 0.926 158 S CA 0.314 58.515 58.200 0.002 0.000 0.887 158 S CB -1.302 61.898 63.200 -0.001 0.000 0.422 158 S HN 0.981 nan 8.310 nan 0.000 0.808 159 N N 0.500 119.208 118.700 0.014 0.000 2.369 159 N HA 0.394 5.117 4.740 -0.028 0.000 0.287 159 N C -1.945 173.591 175.510 0.043 0.000 1.067 159 N CA -0.191 52.871 53.050 0.020 0.000 0.888 159 N CB 1.802 40.271 38.487 -0.030 0.000 1.616 159 N HN 0.321 nan 8.380 nan 0.000 0.482 160 Y N 3.990 124.280 120.300 -0.017 0.000 2.787 160 Y HA 0.418 4.951 4.550 -0.028 0.000 0.352 160 Y C -2.285 173.642 175.900 0.046 0.000 1.027 160 Y CA -1.584 56.535 58.100 0.031 0.000 1.219 160 Y CB 0.918 39.453 38.460 0.126 0.000 1.110 160 Y HN 0.386 nan 8.280 nan 0.000 0.614 161 P HA 0.025 nan 4.420 nan 0.000 0.272 161 P C -0.499 176.906 177.300 0.175 0.000 1.230 161 P CA -0.176 62.943 63.100 0.031 0.000 0.788 161 P CB 0.864 32.510 31.700 -0.091 0.000 0.949 162 V N 0.711 120.728 119.914 0.172 0.000 2.625 162 V HA 0.099 4.202 4.120 -0.028 0.000 0.305 162 V C 0.883 177.101 176.094 0.207 0.000 1.055 162 V CA 0.568 62.978 62.300 0.184 0.000 1.209 162 V CB -0.954 30.956 31.823 0.146 0.000 0.877 162 V HN 0.679 nan 8.190 nan 0.000 0.489 163 A N 6.516 129.423 122.820 0.146 0.000 2.260 163 A HA 0.689 4.993 4.320 -0.028 0.000 0.308 163 A C -0.027 177.686 177.584 0.214 0.000 1.254 163 A CA -0.695 51.382 52.037 0.067 0.000 0.874 163 A CB 0.476 19.149 19.000 -0.545 0.000 1.153 163 A HN 0.857 nan 8.150 nan 0.000 0.527 164 K N 1.453 122.054 120.400 0.335 0.000 2.397 164 K HA 0.647 4.951 4.320 -0.028 0.000 0.253 164 K C -0.201 176.561 176.600 0.270 0.000 0.932 164 K CA -0.421 56.034 56.287 0.280 0.000 0.795 164 K CB 2.618 35.217 32.500 0.164 0.000 1.159 164 K HN 0.825 nan 8.250 nan 0.000 0.424 165 G N 0.421 109.402 108.800 0.302 0.000 2.620 165 G HA2 0.618 4.562 3.960 -0.028 0.000 0.301 165 G HA3 0.618 4.562 3.960 -0.028 0.000 0.301 165 G C -1.188 173.836 174.900 0.206 0.000 1.347 165 G CA -0.600 44.548 45.100 0.079 0.000 0.971 165 G HN 0.538 nan 8.290 nan 0.000 0.488 166 S N -0.495 115.272 115.700 0.112 0.000 2.596 166 S HA 0.789 5.242 4.470 -0.028 0.000 0.270 166 S C -1.742 172.974 174.600 0.193 0.000 1.155 166 S CA -0.908 57.395 58.200 0.172 0.000 0.827 166 S CB 2.123 65.375 63.200 0.087 0.000 1.130 166 S HN 1.616 nan 8.310 nan 0.000 0.467 167 Y N 1.554 121.889 120.300 0.059 0.000 2.442 167 Y HA 0.594 5.128 4.550 -0.028 0.000 0.330 167 Y C -1.496 174.425 175.900 0.037 0.000 1.100 167 Y CA -0.644 57.478 58.100 0.037 0.000 1.034 167 Y CB 1.580 40.070 38.460 0.051 0.000 1.285 167 Y HN 0.907 nan 8.280 nan 0.000 0.440 168 N N 4.609 122.898 118.700 -0.684 0.000 2.422 168 N HA 0.116 4.840 4.740 -0.028 0.000 0.266 168 N C -0.990 173.978 175.510 -0.903 0.000 1.007 168 N CA -0.222 52.505 53.050 -0.538 0.000 0.941 168 N CB 0.691 39.036 38.487 -0.236 0.000 1.115 168 N HN 0.755 nan 8.380 nan 0.000 0.492 169 N N 2.573 120.956 118.700 -0.528 0.000 2.498 169 N HA -0.040 4.683 4.740 -0.028 0.000 0.277 169 N C 0.316 175.654 175.510 -0.287 0.000 1.208 169 N CA 0.125 52.976 53.050 -0.331 0.000 1.029 169 N CB -0.125 38.312 38.487 -0.082 0.000 1.403 169 N HN 0.566 nan 8.380 nan 0.000 0.500 170 T N -1.282 113.145 114.554 -0.212 0.000 3.163 170 T HA -0.006 4.327 4.350 -0.028 0.000 0.252 170 T C 1.467 176.094 174.700 -0.122 0.000 1.056 170 T CA 0.181 62.234 62.100 -0.079 0.000 0.947 170 T CB -0.380 68.536 68.868 0.081 0.000 1.016 170 T HN 0.302 nan 8.240 nan 0.000 0.554 171 S N 0.755 116.377 115.700 -0.130 0.000 2.555 171 S HA 0.304 4.758 4.470 -0.028 0.000 0.230 171 S C 2.084 176.604 174.600 -0.132 0.000 0.978 171 S CA 0.517 58.682 58.200 -0.059 0.000 0.934 171 S CB -1.024 62.183 63.200 0.012 0.000 0.766 171 S HN 1.257 nan 8.310 nan 0.000 0.533 172 G N 0.082 108.686 108.800 -0.327 0.000 2.162 172 G HA2 -0.227 3.716 3.960 -0.028 0.000 0.260 172 G HA3 -0.227 3.716 3.960 -0.028 0.000 0.260 172 G C -0.166 174.606 174.900 -0.213 0.000 0.976 172 G CA 0.515 45.444 45.100 -0.286 0.000 0.655 172 G HN 0.655 nan 8.290 nan 0.000 0.533 173 E N -1.077 119.003 120.200 -0.201 0.000 2.458 173 E HA 0.405 4.739 4.350 -0.028 0.000 0.278 173 E C -0.350 176.191 176.600 -0.098 0.000 1.004 173 E CA -1.005 55.330 56.400 -0.110 0.000 0.823 173 E CB 0.946 30.637 29.700 -0.015 0.000 1.396 173 E HN 0.235 nan 8.360 nan 0.000 0.463 174 Q N 0.765 120.546 119.800 -0.030 0.000 2.421 174 Q HA 0.245 4.568 4.340 -0.028 0.000 0.255 174 Q C -0.706 175.332 176.000 0.062 0.000 1.013 174 Q CA 0.646 56.461 55.803 0.019 0.000 0.895 174 Q CB 0.798 29.573 28.738 0.061 0.000 1.271 174 Q HN 0.319 nan 8.270 nan 0.000 0.460 175 M N 3.262 122.926 119.600 0.106 0.000 2.204 175 M HA 0.245 4.708 4.480 -0.028 0.000 0.293 175 M C -1.593 174.843 176.300 0.227 0.000 0.994 175 M CA -1.055 54.330 55.300 0.141 0.000 0.925 175 M CB 1.203 33.880 32.600 0.130 0.000 1.577 175 M HN 0.504 nan 8.290 nan 0.000 0.439 176 L N 6.814 128.201 121.223 0.273 0.000 2.410 176 L HA 0.483 4.806 4.340 -0.028 0.000 0.273 176 L C -1.446 175.670 176.870 0.409 0.000 1.144 176 L CA 0.738 55.806 54.840 0.379 0.000 0.863 176 L CB 0.152 42.434 42.059 0.371 0.000 1.140 176 L HN 0.619 nan 8.230 nan 0.000 0.463 177 I N 6.562 127.408 120.570 0.462 0.000 2.499 177 I HA 0.408 4.562 4.170 -0.028 0.000 0.288 177 I C -0.621 175.849 176.117 0.588 0.000 1.048 177 I CA -0.450 61.132 61.300 0.470 0.000 1.062 177 I CB 1.846 40.115 38.000 0.449 0.000 1.238 177 I HN 0.517 nan 8.210 nan 0.000 0.426 178 I N 5.146 126.021 120.570 0.508 0.000 2.603 178 I HA 0.539 4.692 4.170 -0.028 0.000 0.300 178 I C -1.151 175.256 176.117 0.483 0.000 1.017 178 I CA -0.525 61.007 61.300 0.387 0.000 1.098 178 I CB 1.954 40.112 38.000 0.263 0.000 1.279 178 I HN 0.670 nan 8.210 nan 0.000 0.437 179 W N 3.707 125.180 121.300 0.289 0.000 3.074 179 W HA 0.857 5.501 4.660 -0.027 0.000 0.332 179 W C -1.172 175.467 176.519 0.201 0.000 1.253 179 W CA -1.030 56.474 57.345 0.265 0.000 1.180 179 W CB 0.802 30.493 29.460 0.385 0.000 1.445 179 W HN 0.584 nan 8.180 nan 0.000 0.573 180 G N 0.504 109.451 108.800 0.245 0.000 2.574 180 G HA2 0.682 4.625 3.960 -0.028 0.000 0.299 180 G HA3 0.682 4.625 3.960 -0.028 0.000 0.299 180 G C -2.262 172.554 174.900 -0.141 0.000 1.298 180 G CA -1.113 43.815 45.100 -0.287 0.000 0.952 180 G HN 0.694 nan 8.290 nan 0.000 0.477 181 V N 1.260 120.981 119.914 -0.322 0.000 2.495 181 V HA 0.371 4.475 4.120 -0.028 0.000 0.298 181 V C -0.387 175.426 176.094 -0.468 0.000 1.031 181 V CA -0.893 61.224 62.300 -0.306 0.000 0.871 181 V CB 1.633 33.288 31.823 -0.281 0.000 0.988 181 V HN 0.845 nan 8.190 nan 0.000 0.432 182 H N 5.104 123.909 119.070 -0.442 0.000 2.604 182 H HA 0.347 4.887 4.556 -0.028 0.000 0.306 182 H C -0.949 174.171 175.328 -0.348 0.000 1.075 182 H CA -0.685 55.166 56.048 -0.328 0.000 1.357 182 H CB 0.618 30.310 29.762 -0.118 0.000 1.426 182 H HN 0.688 nan 8.280 nan 0.000 0.470 183 H N 6.804 125.649 119.070 -0.375 0.000 2.641 183 H HA 0.211 4.750 4.556 -0.028 0.000 0.295 183 H C -2.378 172.677 175.328 -0.456 0.000 1.070 183 H CA -2.195 53.660 56.048 -0.322 0.000 1.257 183 H CB 1.071 30.751 29.762 -0.137 0.000 1.393 183 H HN 0.554 nan 8.280 nan 0.000 0.464 184 P HA 0.033 nan 4.420 nan 0.000 0.274 184 P C 0.966 178.263 177.300 -0.006 0.000 1.237 184 P CA -0.350 62.667 63.100 -0.139 0.000 0.793 184 P CB 1.233 32.957 31.700 0.040 0.000 0.977 185 N N 0.741 119.467 118.700 0.043 0.000 2.309 185 N HA -0.127 4.597 4.740 -0.028 0.000 0.182 185 N C -0.391 175.138 175.510 0.032 0.000 1.018 185 N CA 1.053 54.126 53.050 0.039 0.000 0.876 185 N CB -0.035 38.481 38.487 0.048 0.000 0.972 185 N HN 0.556 nan 8.380 nan 0.000 0.434 186 D N -3.045 117.378 120.400 0.040 0.000 2.622 186 D HA 0.091 4.714 4.640 -0.028 0.000 0.255 186 D C -0.015 176.309 176.300 0.039 0.000 1.246 186 D CA -0.747 53.272 54.000 0.033 0.000 0.795 186 D CB 0.495 41.312 40.800 0.028 0.000 1.369 186 D HN -0.064 nan 8.370 nan 0.000 0.425 187 E N -0.245 119.974 120.200 0.031 0.000 2.153 187 E HA -0.186 4.147 4.350 -0.028 0.000 0.194 187 E C 1.012 177.633 176.600 0.034 0.000 0.988 187 E CA 1.570 57.991 56.400 0.034 0.000 0.811 187 E CB 0.053 29.767 29.700 0.025 0.000 0.746 187 E HN 0.549 nan 8.360 nan 0.000 0.466 188 T N 0.469 115.040 114.554 0.027 0.000 2.674 188 T HA -0.189 4.145 4.350 -0.028 0.000 0.265 188 T C 1.656 176.367 174.700 0.018 0.000 1.039 188 T CA 1.433 63.545 62.100 0.019 0.000 1.150 188 T CB -0.248 68.629 68.868 0.014 0.000 0.864 188 T HN 0.291 nan 8.240 nan 0.000 0.427 189 E N 0.370 120.589 120.200 0.031 0.000 2.130 189 E HA -0.270 4.063 4.350 -0.028 0.000 0.196 189 E C 2.276 178.900 176.600 0.041 0.000 0.998 189 E CA 1.313 57.737 56.400 0.039 0.000 0.806 189 E CB -0.028 29.720 29.700 0.080 0.000 0.738 189 E HN 0.377 nan 8.360 nan 0.000 0.459 190 Q N 0.656 120.505 119.800 0.081 0.000 2.016 190 Q HA -0.114 4.209 4.340 -0.028 0.000 0.200 190 Q C 2.019 178.075 176.000 0.094 0.000 0.978 190 Q CA 1.673 57.568 55.803 0.153 0.000 0.833 190 Q CB -0.045 28.773 28.738 0.134 0.000 0.895 190 Q HN 0.125 nan 8.270 nan 0.000 0.427 191 R N -0.482 120.045 120.500 0.045 0.000 2.092 191 R HA -0.068 4.255 4.340 -0.028 0.000 0.231 191 R C 2.301 178.591 176.300 -0.016 0.000 1.119 191 R CA 1.748 57.863 56.100 0.025 0.000 0.970 191 R CB -0.367 29.945 30.300 0.020 0.000 0.864 191 R HN 0.567 nan 8.270 nan 0.000 0.440 192 T N -1.371 113.156 114.554 -0.045 0.000 3.055 192 T HA 0.042 4.375 4.350 -0.028 0.000 0.265 192 T C 1.885 176.490 174.700 -0.158 0.000 1.111 192 T CA 0.521 62.577 62.100 -0.074 0.000 1.118 192 T CB -0.009 68.825 68.868 -0.058 0.000 0.909 192 T HN 0.092 nan 8.240 nan 0.000 0.501 193 L N -1.293 119.757 121.223 -0.288 0.000 2.127 193 L HA 0.218 4.541 4.340 -0.028 0.000 0.203 193 L C 1.526 178.019 176.870 -0.629 0.000 1.080 193 L CA 1.024 55.476 54.840 -0.645 0.000 0.768 193 L CB 0.007 41.367 42.059 -1.166 0.000 0.924 193 L HN 0.282 nan 8.230 nan 0.000 0.444 194 Y N -2.876 117.397 120.300 -0.045 0.000 2.563 194 Y HA 0.161 4.694 4.550 -0.028 0.000 0.250 194 Y C 1.267 177.131 175.900 -0.059 0.000 1.126 194 Y CA -0.539 57.492 58.100 -0.115 0.000 1.231 194 Y CB 0.595 38.863 38.460 -0.319 0.000 1.288 194 Y HN -0.036 nan 8.280 nan 0.000 0.537 195 Q N -0.154 119.694 119.800 0.080 0.000 1.868 195 Q HA -0.304 4.019 4.340 -0.028 0.000 0.171 195 Q C -0.338 175.694 176.000 0.054 0.000 2.942 195 Q CA 2.174 58.016 55.803 0.064 0.000 0.184 195 Q CB -1.562 27.227 28.738 0.084 0.000 0.207 195 Q HN 0.654 nan 8.270 nan 0.000 0.359 196 N N -0.290 118.437 118.700 0.045 0.000 2.371 196 N HA 0.251 4.974 4.740 -0.028 0.000 0.243 196 N C 1.196 176.707 175.510 0.001 0.000 1.287 196 N CA 0.425 53.483 53.050 0.012 0.000 0.911 196 N CB 0.609 39.081 38.487 -0.024 0.000 1.142 196 N HN 0.085 nan 8.380 nan 0.000 0.451 197 V N -1.029 118.885 119.914 -0.001 0.000 2.996 197 V HA 0.253 4.356 4.120 -0.028 0.000 0.235 197 V C 1.350 177.439 176.094 -0.007 0.000 1.205 197 V CA 0.489 62.792 62.300 0.004 0.000 1.225 197 V CB -0.207 31.626 31.823 0.017 0.000 0.995 197 V HN 0.806 nan 8.190 nan 0.000 0.484 198 G N 3.024 111.828 108.800 0.006 0.000 3.717 198 G HA2 0.353 4.296 3.960 -0.028 0.000 0.258 198 G HA3 0.353 4.296 3.960 -0.028 0.000 0.258 198 G C 0.483 175.404 174.900 0.035 0.000 1.088 198 G CA 0.566 45.681 45.100 0.025 0.000 1.737 198 G HN 0.515 nan 8.290 nan 0.000 0.648 199 T N -1.277 113.251 114.554 -0.045 0.000 2.816 199 T HA 0.669 5.002 4.350 -0.028 0.000 0.282 199 T C -0.197 174.473 174.700 -0.050 0.000 0.993 199 T CA -0.533 61.477 62.100 -0.150 0.000 0.994 199 T CB 1.362 70.024 68.868 -0.342 0.000 1.025 199 T HN 0.664 nan 8.240 nan 0.000 0.529 200 Y N -2.258 117.976 120.300 -0.109 0.000 2.670 200 Y HA 0.749 5.282 4.550 -0.028 0.000 0.334 200 Y C -1.817 174.036 175.900 -0.079 0.000 1.185 200 Y CA -1.733 56.322 58.100 -0.075 0.000 1.053 200 Y CB 0.747 39.184 38.460 -0.038 0.000 1.298 200 Y HN 0.552 nan 8.280 nan 0.000 0.459 201 V N 1.383 121.400 119.914 0.171 0.000 2.709 201 V HA 0.673 4.776 4.120 -0.028 0.000 0.308 201 V C -0.959 175.244 176.094 0.182 0.000 1.062 201 V CA -0.625 61.741 62.300 0.109 0.000 0.901 201 V CB 1.776 33.628 31.823 0.050 0.000 1.003 201 V HN 0.824 nan 8.190 nan 0.000 0.425 202 S N 3.182 118.954 115.700 0.120 0.000 2.789 202 S HA 0.693 5.146 4.470 -0.028 0.000 0.286 202 S C -1.003 173.474 174.600 -0.205 0.000 1.153 202 S CA -0.344 57.867 58.200 0.020 0.000 1.084 202 S CB 1.174 64.442 63.200 0.113 0.000 1.036 202 S HN 0.482 nan 8.310 nan 0.000 0.484 203 V N 3.652 123.331 119.914 -0.392 0.000 2.483 203 V HA 0.933 5.037 4.120 -0.028 0.000 0.295 203 V C 0.702 176.503 176.094 -0.488 0.000 1.035 203 V CA -0.358 61.481 62.300 -0.767 0.000 0.896 203 V CB 1.660 32.566 31.823 -1.528 0.000 0.986 203 V HN 0.929 nan 8.190 nan 0.000 0.447 204 G N 1.872 110.385 108.800 -0.477 0.000 2.746 204 G HA2 0.728 4.671 3.960 -0.028 0.000 0.297 204 G HA3 0.728 4.671 3.960 -0.028 0.000 0.297 204 G C -0.681 174.090 174.900 -0.216 0.000 1.426 204 G CA 0.191 45.133 45.100 -0.263 0.000 0.989 204 G HN 0.914 nan 8.290 nan 0.000 0.520 205 T N -2.386 112.092 114.554 -0.126 0.000 2.590 205 T HA 0.536 4.870 4.350 -0.028 0.000 0.282 205 T C 1.246 175.923 174.700 -0.039 0.000 0.989 205 T CA 0.289 62.347 62.100 -0.070 0.000 1.091 205 T CB 1.073 69.919 68.868 -0.037 0.000 1.460 205 T HN 0.287 nan 8.240 nan 0.000 0.499 206 S N -0.318 115.375 115.700 -0.013 0.000 2.481 206 S HA 0.092 4.546 4.470 -0.028 0.000 0.231 206 S C 1.486 176.085 174.600 -0.002 0.000 0.996 206 S CA 1.237 59.436 58.200 -0.003 0.000 0.942 206 S CB -0.482 62.726 63.200 0.015 0.000 0.768 206 S HN 0.783 nan 8.310 nan 0.000 0.520 207 T N 0.246 114.799 114.554 -0.003 0.000 3.010 207 T HA 0.344 4.678 4.350 -0.028 0.000 0.252 207 T C -0.172 174.525 174.700 -0.005 0.000 0.963 207 T CA -0.239 61.863 62.100 0.004 0.000 0.952 207 T CB 0.183 69.061 68.868 0.017 0.000 1.182 207 T HN 0.175 nan 8.240 nan 0.000 0.495 208 L N 2.742 123.956 121.223 -0.015 0.000 2.309 208 L HA 0.747 5.071 4.340 -0.028 0.000 0.282 208 L C -0.947 175.896 176.870 -0.045 0.000 1.036 208 L CA -0.444 54.385 54.840 -0.018 0.000 0.806 208 L CB 1.358 43.414 42.059 -0.004 0.000 1.220 208 L HN -0.028 nan 8.230 nan 0.000 0.429 209 N N 3.894 122.574 118.700 -0.033 0.000 2.519 209 N HA 0.462 5.186 4.740 -0.028 0.000 0.286 209 N C -1.734 173.761 175.510 -0.025 0.000 1.079 209 N CA -0.551 52.471 53.050 -0.047 0.000 0.878 209 N CB 1.017 39.482 38.487 -0.036 0.000 1.375 209 N HN 0.679 nan 8.380 nan 0.000 0.514 210 K N 2.651 123.028 120.400 -0.038 0.000 2.553 210 K HA 0.416 4.719 4.320 -0.028 0.000 0.250 210 K C -1.529 175.075 176.600 0.007 0.000 0.953 210 K CA -0.704 55.595 56.287 0.019 0.000 0.800 210 K CB 1.519 34.093 32.500 0.123 0.000 1.243 210 K HN 0.562 nan 8.250 nan 0.000 0.435 211 R N 2.379 122.895 120.500 0.027 0.000 2.534 211 R HA 0.452 4.775 4.340 -0.028 0.000 0.301 211 R C -1.368 174.977 176.300 0.075 0.000 0.961 211 R CA -0.386 55.733 56.100 0.031 0.000 0.871 211 R CB 1.862 32.143 30.300 -0.031 0.000 1.170 211 R HN 0.599 nan 8.270 nan 0.000 0.446 212 S N 1.367 117.137 115.700 0.116 0.000 2.536 212 S HA 0.501 4.954 4.470 -0.028 0.000 0.298 212 S C -0.977 173.692 174.600 0.116 0.000 1.083 212 S CA -0.730 57.541 58.200 0.119 0.000 0.995 212 S CB 2.071 65.359 63.200 0.147 0.000 1.058 212 S HN 0.682 nan 8.310 nan 0.000 0.488 213 T N 0.298 114.911 114.554 0.098 0.000 2.824 213 T HA 0.662 4.996 4.350 -0.028 0.000 0.282 213 T C -3.137 171.618 174.700 0.093 0.000 0.993 213 T CA -2.337 59.812 62.100 0.081 0.000 0.967 213 T CB 1.031 69.942 68.868 0.071 0.000 0.960 213 T HN 0.204 nan 8.240 nan 0.000 0.441 214 P HA 0.311 nan 4.420 nan 0.000 0.269 214 P C -0.867 176.540 177.300 0.180 0.000 1.209 214 P CA -0.268 62.908 63.100 0.126 0.000 0.776 214 P CB 0.358 32.028 31.700 -0.051 0.000 0.876 215 D N 2.381 122.971 120.400 0.317 0.000 2.427 215 D HA 0.283 4.906 4.640 -0.028 0.000 0.226 215 D C 0.140 176.462 176.300 0.037 0.000 1.076 215 D CA -0.081 53.943 54.000 0.039 0.000 0.849 215 D CB 0.512 41.207 40.800 -0.175 0.000 1.052 215 D HN 0.232 nan 8.370 nan 0.000 0.515 216 I N 2.012 122.596 120.570 0.023 0.000 2.337 216 I HA 0.478 4.631 4.170 -0.028 0.000 0.291 216 I C 0.367 176.487 176.117 0.005 0.000 1.046 216 I CA 0.014 61.325 61.300 0.017 0.000 1.324 216 I CB 0.619 38.632 38.000 0.022 0.000 1.409 216 I HN 0.345 nan 8.210 nan 0.000 0.494 217 A N 3.871 126.694 122.820 0.004 0.000 2.569 217 A HA 0.540 4.843 4.320 -0.028 0.000 0.292 217 A C -0.559 177.027 177.584 0.003 0.000 1.032 217 A CA -0.708 51.328 52.037 -0.001 0.000 0.669 217 A CB 0.907 19.898 19.000 -0.014 0.000 1.290 217 A HN 0.456 nan 8.150 nan 0.000 0.422 218 T N 1.960 116.517 114.554 0.004 0.000 2.794 218 T HA 0.565 4.898 4.350 -0.028 0.000 0.296 218 T C 0.119 174.821 174.700 0.003 0.000 0.949 218 T CA 0.165 62.269 62.100 0.007 0.000 1.101 218 T CB 0.112 68.984 68.868 0.007 0.000 0.905 218 T HN 0.587 nan 8.240 nan 0.000 0.516 219 R N 2.472 122.976 120.500 0.006 0.000 2.771 219 R HA 0.460 4.783 4.340 -0.028 0.000 0.274 219 R C -2.866 173.437 176.300 0.005 0.000 0.987 219 R CA -2.286 53.817 56.100 0.005 0.000 0.908 219 R CB 0.919 31.223 30.300 0.006 0.000 1.213 219 R HN 0.356 nan 8.270 nan 0.000 0.468 220 P HA -0.097 nan 4.420 nan 0.000 0.263 220 P C -0.878 176.423 177.300 0.001 0.000 1.168 220 P CA 0.428 63.531 63.100 0.004 0.000 0.759 220 P CB 0.434 32.138 31.700 0.005 0.000 0.782 221 K N 1.554 121.953 120.400 -0.002 0.000 2.322 221 K HA 0.347 4.651 4.320 -0.028 0.000 0.283 221 K C -0.595 175.998 176.600 -0.012 0.000 1.042 221 K CA -0.408 55.873 56.287 -0.010 0.000 0.958 221 K CB 0.691 33.184 32.500 -0.011 0.000 0.984 221 K HN 0.164 nan 8.250 nan 0.000 0.473 222 V N 4.299 124.199 119.914 -0.024 0.000 2.482 222 V HA 0.077 4.180 4.120 -0.028 0.000 0.295 222 V C -0.483 175.583 176.094 -0.047 0.000 1.026 222 V CA -1.033 61.254 62.300 -0.021 0.000 0.856 222 V CB 1.272 33.091 31.823 -0.007 0.000 1.001 222 V HN 0.868 nan 8.190 nan 0.000 0.424 223 N N 4.032 122.711 118.700 -0.035 0.000 2.714 223 N HA -0.219 4.505 4.740 -0.028 0.000 0.252 223 N C 1.283 176.756 175.510 -0.063 0.000 1.014 223 N CA 1.504 54.526 53.050 -0.047 0.000 0.735 223 N CB -1.048 37.404 38.487 -0.058 0.000 0.924 223 N HN 1.552 nan 8.380 nan 0.000 0.540 224 G N -1.779 106.995 108.800 -0.043 0.000 2.196 224 G HA2 -0.337 3.607 3.960 -0.028 0.000 0.268 224 G HA3 -0.337 3.607 3.960 -0.028 0.000 0.268 224 G C 0.042 174.914 174.900 -0.047 0.000 0.975 224 G CA 0.856 45.934 45.100 -0.036 0.000 0.648 224 G HN 0.485 nan 8.290 nan 0.000 0.538 225 L N -0.253 120.921 121.223 -0.081 0.000 2.317 225 L HA 0.655 4.978 4.340 -0.028 0.000 0.281 225 L C 1.588 178.429 176.870 -0.048 0.000 1.024 225 L CA -0.171 54.614 54.840 -0.093 0.000 0.810 225 L CB 1.804 43.711 42.059 -0.255 0.000 1.240 225 L HN 0.064 nan 8.230 nan 0.000 0.427 226 G N 0.505 109.302 108.800 -0.005 0.000 2.744 226 G HA2 -0.031 3.913 3.960 -0.028 0.000 0.211 226 G HA3 -0.031 3.913 3.960 -0.028 0.000 0.211 226 G C 0.644 175.566 174.900 0.037 0.000 1.146 226 G CA 0.230 45.338 45.100 0.013 0.000 0.787 226 G HN 0.599 nan 8.290 nan 0.000 0.534 227 S N 0.216 115.957 115.700 0.068 0.000 2.614 227 S HA 0.732 5.186 4.470 -0.028 0.000 0.265 227 S C -0.114 174.610 174.600 0.206 0.000 1.303 227 S CA -0.507 57.778 58.200 0.142 0.000 1.000 227 S CB 1.805 65.187 63.200 0.305 0.000 0.935 227 S HN 0.113 nan 8.310 nan 0.000 0.551 228 R N 0.126 120.792 120.500 0.277 0.000 2.808 228 R HA 0.489 4.812 4.340 -0.028 0.000 0.272 228 R C -1.122 175.399 176.300 0.369 0.000 0.995 228 R CA -0.663 55.643 56.100 0.343 0.000 0.917 228 R CB 1.717 32.165 30.300 0.247 0.000 1.217 228 R HN 0.735 nan 8.270 nan 0.000 0.471 229 M N 1.404 121.206 119.600 0.336 0.000 2.134 229 M HA 0.290 4.754 4.480 -0.028 0.000 0.310 229 M C -0.365 175.816 176.300 -0.199 0.000 0.966 229 M CA -0.377 54.918 55.300 -0.008 0.000 0.922 229 M CB 2.145 34.739 32.600 -0.009 0.000 1.537 229 M HN 0.411 nan 8.290 nan 0.000 0.424 230 E N 4.005 124.008 120.200 -0.329 0.000 2.055 230 E HA 0.382 4.715 4.350 -0.028 0.000 0.274 230 E C -1.537 174.759 176.600 -0.507 0.000 0.949 230 E CA -0.352 55.911 56.400 -0.228 0.000 0.775 230 E CB 0.827 30.574 29.700 0.078 0.000 1.097 230 E HN 0.427 nan 8.360 nan 0.000 0.404 231 F N 1.933 121.675 119.950 -0.346 0.000 2.377 231 F HA 0.381 4.891 4.527 -0.028 0.000 0.328 231 F C 0.624 175.928 175.800 -0.826 0.000 1.094 231 F CA -0.241 57.347 58.000 -0.687 0.000 1.093 231 F CB 1.814 40.200 39.000 -1.024 0.000 1.214 231 F HN 0.278 nan 8.300 nan 0.000 0.518 232 S N 1.522 116.743 115.700 -0.797 0.000 2.618 232 S HA 0.556 5.009 4.470 -0.028 0.000 0.277 232 S C -1.596 172.525 174.600 -0.798 0.000 1.138 232 S CA -0.825 56.880 58.200 -0.826 0.000 0.844 232 S CB 2.183 64.761 63.200 -1.037 0.000 1.127 232 S HN 0.704 nan 8.310 nan 0.000 0.474 233 W N 0.070 121.041 121.300 -0.548 0.000 3.038 233 W HA 0.833 5.476 4.660 -0.028 0.000 0.347 233 W C -1.160 175.417 176.519 0.096 0.000 1.219 233 W CA -0.771 56.478 57.345 -0.159 0.000 1.142 233 W CB 0.814 30.355 29.460 0.136 0.000 1.484 233 W HN 0.726 nan 8.180 nan 0.000 0.586 234 T N 0.476 115.328 114.554 0.497 0.000 2.786 234 T HA 0.491 4.824 4.350 -0.028 0.000 0.316 234 T C -1.975 173.008 174.700 0.472 0.000 1.503 234 T CA -0.658 61.619 62.100 0.294 0.000 1.019 234 T CB 1.394 70.453 68.868 0.317 0.000 1.415 234 T HN 0.460 nan 8.240 nan 0.000 0.496 235 L N 3.480 124.903 121.223 0.333 0.000 2.265 235 L HA 0.554 4.878 4.340 -0.028 0.000 0.289 235 L C -0.529 176.463 176.870 0.203 0.000 1.033 235 L CA -0.988 54.036 54.840 0.307 0.000 0.814 235 L CB 1.354 43.587 42.059 0.291 0.000 1.203 235 L HN 0.494 nan 8.230 nan 0.000 0.423 236 L N 3.945 125.286 121.223 0.196 0.000 2.281 236 L HA 0.320 4.644 4.340 -0.028 0.000 0.285 236 L C -0.032 176.890 176.870 0.086 0.000 1.074 236 L CA 0.122 55.045 54.840 0.140 0.000 0.817 236 L CB 0.537 42.700 42.059 0.173 0.000 1.168 236 L HN 0.419 nan 8.230 nan 0.000 0.434 237 D N 4.411 124.845 120.400 0.055 0.000 2.360 237 D HA 0.167 4.791 4.640 -0.028 0.000 0.242 237 D C 0.293 176.553 176.300 -0.068 0.000 1.184 237 D CA 0.040 54.050 54.000 0.016 0.000 0.930 237 D CB 0.609 41.433 40.800 0.041 0.000 1.161 237 D HN 0.542 nan 8.370 nan 0.000 0.447 238 M N 0.874 120.366 119.600 -0.180 0.000 2.327 238 M HA -0.063 4.400 4.480 -0.028 0.000 0.353 238 M C -0.003 176.039 176.300 -0.430 0.000 1.539 238 M CA 0.835 55.792 55.300 -0.570 0.000 1.039 238 M CB -0.200 31.943 32.600 -0.762 0.000 1.967 238 M HN 0.603 nan 8.290 nan 0.000 0.459 239 W N -0.314 120.976 121.300 -0.017 0.000 1.619 239 W HA -0.252 4.392 4.660 -0.028 0.000 0.250 239 W C 0.182 176.674 176.519 -0.045 0.000 1.014 239 W CA 0.067 57.387 57.345 -0.041 0.000 0.427 239 W CB -1.564 27.881 29.460 -0.026 0.000 2.027 239 W HN 0.498 nan 8.180 nan 0.000 1.216 240 D N 0.415 120.873 120.400 0.096 0.000 2.383 240 D HA 0.518 5.141 4.640 -0.028 0.000 0.248 240 D C 0.333 176.636 176.300 0.005 0.000 1.170 240 D CA 0.525 54.559 54.000 0.057 0.000 0.977 240 D CB 1.037 41.865 40.800 0.047 0.000 1.120 240 D HN -0.141 nan 8.370 nan 0.000 0.481 241 T N 1.037 115.591 114.554 -0.001 0.000 2.876 241 T HA 0.462 4.795 4.350 -0.028 0.000 0.289 241 T C -0.443 174.255 174.700 -0.004 0.000 1.014 241 T CA -0.544 61.544 62.100 -0.020 0.000 0.986 241 T CB 0.896 69.748 68.868 -0.028 0.000 1.021 241 T HN 0.304 nan 8.240 nan 0.000 0.458 242 I N 2.924 123.515 120.570 0.034 0.000 2.460 242 I HA 0.481 4.635 4.170 -0.028 0.000 0.298 242 I C -0.926 175.143 176.117 -0.080 0.000 0.989 242 I CA -0.769 60.501 61.300 -0.051 0.000 1.173 242 I CB 0.956 38.953 38.000 -0.004 0.000 1.338 242 I HN 0.452 nan 8.210 nan 0.000 0.456 243 N N 7.219 125.764 118.700 -0.258 0.000 2.442 243 N HA 0.373 5.097 4.740 -0.028 0.000 0.274 243 N C -1.524 173.772 175.510 -0.358 0.000 1.002 243 N CA -0.235 52.715 53.050 -0.168 0.000 0.910 243 N CB 1.571 39.996 38.487 -0.103 0.000 1.244 243 N HN 0.316 nan 8.380 nan 0.000 0.492 244 F N 0.737 120.676 119.950 -0.019 0.000 2.422 244 F HA 0.397 4.907 4.527 -0.028 0.000 0.333 244 F C 0.899 176.724 175.800 0.042 0.000 1.095 244 F CA -0.540 57.444 58.000 -0.028 0.000 1.038 244 F CB 1.570 40.587 39.000 0.027 0.000 1.156 244 F HN 0.266 nan 8.300 nan 0.000 0.483 245 E N 1.293 121.610 120.200 0.194 0.000 2.331 245 E HA 0.607 4.940 4.350 -0.028 0.000 0.275 245 E C -1.652 175.030 176.600 0.137 0.000 0.895 245 E CA -0.560 55.953 56.400 0.188 0.000 0.753 245 E CB 2.044 31.865 29.700 0.203 0.000 1.216 245 E HN 0.555 nan 8.360 nan 0.000 0.434 246 S N 1.285 116.998 115.700 0.022 0.000 2.548 246 S HA 0.196 4.649 4.470 -0.028 0.000 0.278 246 S C -0.280 174.189 174.600 -0.218 0.000 1.150 246 S CA -0.151 57.916 58.200 -0.221 0.000 0.907 246 S CB 1.324 64.442 63.200 -0.136 0.000 1.108 246 S HN 0.591 nan 8.310 nan 0.000 0.459 247 T N 0.555 114.735 114.554 -0.623 0.000 3.186 247 T HA 0.612 4.945 4.350 -0.028 0.000 0.257 247 T C 0.790 175.112 174.700 -0.630 0.000 1.029 247 T CA 0.294 62.189 62.100 -0.341 0.000 0.916 247 T CB -0.332 68.313 68.868 -0.372 0.000 1.041 247 T HN 1.604 nan 8.240 nan 0.000 0.562 248 G N 0.827 109.088 108.800 -0.898 0.000 2.312 248 G HA2 0.243 4.186 3.960 -0.028 0.000 0.347 248 G HA3 0.243 4.186 3.960 -0.028 0.000 0.347 248 G C -0.178 174.091 174.900 -1.052 0.000 1.564 248 G CA -0.367 43.908 45.100 -1.375 0.000 0.981 248 G HN 0.084 nan 8.290 nan 0.000 0.678 249 N N -2.285 115.519 118.700 -1.494 0.000 2.965 249 N HA -0.192 4.531 4.740 -0.028 0.000 0.232 249 N C 0.688 175.966 175.510 -0.387 0.000 0.913 249 N CA 1.074 53.543 53.050 -0.968 0.000 0.981 249 N CB -0.658 37.409 38.487 -0.701 0.000 1.077 249 N HN 1.184 nan 8.380 nan 0.000 0.589 250 L N 3.005 124.047 121.223 -0.301 0.000 2.462 250 L HA 0.234 4.558 4.340 -0.028 0.000 0.272 250 L C 0.062 176.862 176.870 -0.117 0.000 1.166 250 L CA 0.320 55.072 54.840 -0.146 0.000 0.880 250 L CB 0.301 42.277 42.059 -0.138 0.000 1.142 250 L HN 0.008 nan 8.230 nan 0.000 0.473 251 I N 6.478 127.028 120.570 -0.034 0.000 2.307 251 I HA 0.356 4.510 4.170 -0.028 0.000 0.287 251 I C 0.639 176.806 176.117 0.082 0.000 1.054 251 I CA -0.371 60.954 61.300 0.041 0.000 1.218 251 I CB 0.061 38.146 38.000 0.141 0.000 1.398 251 I HN 0.786 nan 8.210 nan 0.000 0.475 252 A N 9.794 132.579 122.820 -0.057 0.000 2.351 252 A HA 0.706 5.010 4.320 -0.028 0.000 0.257 252 A C -2.354 175.232 177.584 0.003 0.000 1.087 252 A CA -1.030 50.921 52.037 -0.144 0.000 0.798 252 A CB -0.056 18.794 19.000 -0.249 0.000 1.033 252 A HN 0.418 nan 8.150 nan 0.000 0.488 253 P HA 0.262 nan 4.420 nan 0.000 0.282 253 P C 0.089 177.361 177.300 -0.046 0.000 1.249 253 P CA -0.181 62.934 63.100 0.026 0.000 0.806 253 P CB 1.374 33.112 31.700 0.063 0.000 0.984 254 E N 1.327 121.482 120.200 -0.076 0.000 2.162 254 E HA -0.003 4.330 4.350 -0.028 0.000 0.193 254 E C -0.220 176.043 176.600 -0.561 0.000 0.953 254 E CA 0.472 56.674 56.400 -0.330 0.000 0.849 254 E CB 0.087 29.515 29.700 -0.453 0.000 0.810 254 E HN 0.438 nan 8.360 nan 0.000 0.470 255 Y N -0.778 119.401 120.300 -0.201 0.000 2.534 255 Y HA 0.619 5.153 4.550 -0.028 0.000 0.329 255 Y C 0.634 176.233 175.900 -0.501 0.000 1.154 255 Y CA -0.591 57.280 58.100 -0.382 0.000 1.192 255 Y CB 1.790 39.970 38.460 -0.466 0.000 1.275 255 Y HN -0.067 nan 8.280 nan 0.000 0.491 256 G N 0.079 108.586 108.800 -0.488 0.000 2.630 256 G HA2 0.664 4.607 3.960 -0.028 0.000 0.296 256 G HA3 0.664 4.607 3.960 -0.028 0.000 0.296 256 G C -2.124 172.274 174.900 -0.837 0.000 1.285 256 G CA -0.805 43.997 45.100 -0.497 0.000 0.958 256 G HN 0.357 nan 8.290 nan 0.000 0.479 257 F N 0.721 120.587 119.950 -0.140 0.000 2.434 257 F HA 0.418 4.928 4.527 -0.027 0.000 0.355 257 F C 0.647 176.270 175.800 -0.295 0.000 1.115 257 F CA -0.853 56.919 58.000 -0.380 0.000 1.010 257 F CB 2.024 40.693 39.000 -0.552 0.000 1.234 257 F HN 0.070 nan 8.300 nan 0.000 0.439 258 K N 3.975 124.277 120.400 -0.164 0.000 2.448 258 K HA 0.412 4.715 4.320 -0.028 0.000 0.278 258 K C -0.573 175.997 176.600 -0.051 0.000 1.009 258 K CA 0.192 56.445 56.287 -0.058 0.000 0.995 258 K CB 1.106 33.600 32.500 -0.009 0.000 0.917 258 K HN 0.682 nan 8.250 nan 0.000 0.481 259 I N 0.658 121.267 120.570 0.065 0.000 2.644 259 I HA 0.179 4.332 4.170 -0.028 0.000 0.291 259 I C -1.527 174.649 176.117 0.098 0.000 1.180 259 I CA -0.248 61.128 61.300 0.127 0.000 1.040 259 I CB 2.065 40.196 38.000 0.219 0.000 1.255 259 I HN 0.503 nan 8.210 nan 0.000 0.422 260 S N 7.387 123.135 115.700 0.080 0.000 2.647 260 S HA 0.611 5.064 4.470 -0.028 0.000 0.300 260 S C -1.296 173.297 174.600 -0.011 0.000 1.129 260 S CA -0.681 57.545 58.200 0.044 0.000 1.029 260 S CB 0.805 64.042 63.200 0.062 0.000 1.007 260 S HN 0.654 nan 8.310 nan 0.000 0.484 261 K N 1.535 121.923 120.400 -0.019 0.000 2.435 261 K HA 0.961 5.264 4.320 -0.028 0.000 0.251 261 K C 0.153 176.729 176.600 -0.040 0.000 0.954 261 K CA -0.859 55.393 56.287 -0.059 0.000 0.820 261 K CB 1.702 34.161 32.500 -0.068 0.000 1.292 261 K HN 0.812 nan 8.250 nan 0.000 0.436 262 R N 0.347 120.813 120.500 -0.058 0.000 3.137 262 R HA 0.080 4.403 4.340 -0.028 0.000 0.048 262 R C 0.719 176.956 176.300 -0.105 0.000 0.845 262 R CA 0.523 56.564 56.100 -0.097 0.000 1.376 262 R CB -2.003 28.214 30.300 -0.138 0.000 0.682 262 R HN 1.250 nan 8.270 nan 0.000 0.660 263 G N -1.290 107.431 108.800 -0.132 0.000 3.858 263 G HA2 0.547 4.491 3.960 -0.028 0.000 0.164 263 G HA3 0.547 4.491 3.960 -0.028 0.000 0.164 263 G C 0.334 175.159 174.900 -0.125 0.000 1.116 263 G CA 1.548 46.566 45.100 -0.137 0.000 0.830 263 G HN 2.140 nan 8.290 nan 0.000 0.666 264 S N -1.194 114.420 115.700 -0.143 0.000 3.155 264 S HA 0.033 4.486 4.470 -0.028 0.000 0.857 264 S C 0.216 174.787 174.600 -0.048 0.000 1.046 264 S CA 1.121 59.227 58.200 -0.157 0.000 1.228 264 S CB -0.741 62.349 63.200 -0.183 0.000 0.867 264 S HN 1.505 nan 8.310 nan 0.000 0.250 265 S N 2.276 117.961 115.700 -0.026 0.000 4.341 265 S HA 0.962 5.415 4.470 -0.028 0.000 0.220 265 S C 0.168 174.834 174.600 0.110 0.000 1.133 265 S CA 0.688 58.997 58.200 0.182 0.000 1.679 265 S CB 1.109 64.443 63.200 0.223 0.000 1.237 265 S HN 2.186 nan 8.310 nan 0.000 0.744 266 G N 0.275 109.139 108.800 0.106 0.000 2.576 266 G HA2 0.549 4.492 3.960 -0.028 0.000 0.290 266 G HA3 0.549 4.492 3.960 -0.028 0.000 0.290 266 G C -1.931 172.997 174.900 0.047 0.000 1.442 266 G CA -0.761 44.371 45.100 0.054 0.000 0.792 266 G HN 0.650 nan 8.290 nan 0.000 0.491 267 I N 0.773 121.336 120.570 -0.012 0.000 2.396 267 I HA 0.430 4.584 4.170 -0.028 0.000 0.292 267 I C 0.326 176.428 176.117 -0.025 0.000 0.999 267 I CA -0.427 60.850 61.300 -0.039 0.000 1.310 267 I CB 1.775 39.713 38.000 -0.103 0.000 1.404 267 I HN 0.411 nan 8.210 nan 0.000 0.496 268 M N 6.708 126.310 119.600 0.002 0.000 2.066 268 M HA 0.324 4.787 4.480 -0.028 0.000 0.340 268 M C -1.014 175.252 176.300 -0.057 0.000 1.053 268 M CA -0.764 54.523 55.300 -0.022 0.000 0.983 268 M CB 0.434 33.054 32.600 0.034 0.000 1.520 268 M HN 0.261 nan 8.290 nan 0.000 0.428 269 K N 3.519 123.878 120.400 -0.069 0.000 2.349 269 K HA 0.340 4.644 4.320 -0.028 0.000 0.289 269 K C -0.247 176.308 176.600 -0.075 0.000 1.064 269 K CA 0.018 56.264 56.287 -0.067 0.000 0.947 269 K CB 0.483 32.955 32.500 -0.047 0.000 1.007 269 K HN 0.784 nan 8.250 nan 0.000 0.478 270 T N 0.401 114.911 114.554 -0.073 0.000 2.749 270 T HA 0.244 4.578 4.350 -0.028 0.000 0.310 270 T C -0.445 174.215 174.700 -0.067 0.000 1.496 270 T CA -0.519 61.537 62.100 -0.074 0.000 1.006 270 T CB 1.008 69.827 68.868 -0.081 0.000 1.457 270 T HN 0.439 nan 8.240 nan 0.000 0.497 271 E N 0.531 120.696 120.200 -0.058 0.000 2.489 271 E HA 0.240 4.573 4.350 -0.028 0.000 0.204 271 E C 1.172 177.740 176.600 -0.054 0.000 1.006 271 E CA 0.131 56.500 56.400 -0.052 0.000 0.936 271 E CB 0.535 30.212 29.700 -0.038 0.000 1.002 271 E HN 0.740 nan 8.360 nan 0.000 0.488 272 G N 1.415 110.182 108.800 -0.055 0.000 2.486 272 G HA2 0.291 4.234 3.960 -0.028 0.000 0.272 272 G HA3 0.291 4.234 3.960 -0.028 0.000 0.272 272 G C 0.097 174.961 174.900 -0.060 0.000 1.426 272 G CA 0.374 45.444 45.100 -0.050 0.000 1.058 272 G HN 0.147 nan 8.290 nan 0.000 0.531 273 T N -3.077 111.445 114.554 -0.054 0.000 2.894 273 T HA 0.482 4.816 4.350 -0.028 0.000 0.309 273 T C -0.555 174.112 174.700 -0.055 0.000 1.208 273 T CA -0.819 61.241 62.100 -0.067 0.000 1.016 273 T CB 1.652 70.483 68.868 -0.061 0.000 1.192 273 T HN 0.554 nan 8.240 nan 0.000 0.491 274 L N 1.512 122.692 121.223 -0.072 0.000 2.529 274 L HA 0.293 4.617 4.340 -0.028 0.000 0.287 274 L C 0.985 177.834 176.870 -0.035 0.000 1.241 274 L CA 0.957 55.764 54.840 -0.055 0.000 0.857 274 L CB -0.108 41.901 42.059 -0.083 0.000 1.113 274 L HN 0.978 nan 8.230 nan 0.000 0.504 275 E N 2.111 122.301 120.200 -0.017 0.000 2.676 275 E HA 0.048 4.382 4.350 -0.028 0.000 0.225 275 E C -0.347 176.250 176.600 -0.005 0.000 0.944 275 E CA 0.021 56.414 56.400 -0.011 0.000 1.156 275 E CB 0.279 29.977 29.700 -0.004 0.000 1.117 275 E HN 0.790 nan 8.360 nan 0.000 0.523 276 N N 1.101 119.800 118.700 -0.003 0.000 2.663 276 N HA -0.162 4.561 4.740 -0.028 0.000 0.263 276 N C -0.754 174.760 175.510 0.006 0.000 1.109 276 N CA 0.759 53.809 53.050 0.001 0.000 0.701 276 N CB -1.654 36.832 38.487 -0.002 0.000 0.879 276 N HN 0.381 nan 8.380 nan 0.000 0.550 277 c N -1.334 117.274 118.600 0.012 0.000 3.459 277 c HA 0.940 5.494 4.570 -0.028 0.000 0.358 277 c C 0.166 174.266 174.090 0.017 0.000 2.992 277 c CA -0.750 55.587 56.329 0.012 0.000 1.568 277 c CB 1.313 43.829 42.510 0.011 0.000 3.388 277 c HN 0.609 nan 8.230 nan 0.000 0.515 278 E N -0.669 119.539 120.200 0.014 0.000 2.369 278 E HA 0.784 5.117 4.350 -0.028 0.000 0.270 278 E C -0.920 175.686 176.600 0.010 0.000 0.909 278 E CA 0.100 56.510 56.400 0.017 0.000 0.775 278 E CB 2.168 31.875 29.700 0.013 0.000 1.270 278 E HN 1.038 nan 8.360 nan 0.000 0.445 279 T N 1.091 115.651 114.554 0.010 0.000 2.831 279 T HA 0.358 4.691 4.350 -0.028 0.000 0.333 279 T C -0.768 173.927 174.700 -0.009 0.000 1.684 279 T CA -0.464 61.630 62.100 -0.010 0.000 1.049 279 T CB 0.751 69.603 68.868 -0.027 0.000 1.518 279 T HN 0.437 nan 8.240 nan 0.000 0.491 280 K N 0.277 120.660 120.400 -0.029 0.000 2.402 280 K HA 0.392 4.696 4.320 -0.028 0.000 0.204 280 K C -0.336 176.218 176.600 -0.076 0.000 1.056 280 K CA -0.039 56.235 56.287 -0.022 0.000 1.069 280 K CB 0.812 33.303 32.500 -0.014 0.000 0.888 280 K HN 0.429 nan 8.250 nan 0.000 0.546 281 c N 1.776 120.307 118.600 -0.115 0.000 2.620 281 c HA 0.348 4.901 4.570 -0.028 0.000 0.356 281 c C -1.467 172.504 174.090 -0.198 0.000 1.082 281 c CA -0.629 55.590 56.329 -0.183 0.000 1.293 281 c CB 0.617 43.014 42.510 -0.189 0.000 1.836 281 c HN 0.303 nan 8.230 nan 0.000 0.453 282 Q N 3.192 122.834 119.800 -0.265 0.000 2.282 282 Q HA 0.770 5.093 4.340 -0.028 0.000 0.260 282 Q C 0.028 175.855 176.000 -0.288 0.000 0.964 282 Q CA 0.195 55.832 55.803 -0.276 0.000 0.880 282 Q CB 1.681 30.170 28.738 -0.415 0.000 1.286 282 Q HN 0.881 nan 8.270 nan 0.000 0.445 283 T N 0.516 114.919 114.554 -0.253 0.000 2.916 283 T HA 0.574 4.908 4.350 -0.028 0.000 0.292 283 T C -2.154 172.347 174.700 -0.332 0.000 1.055 283 T CA -2.187 59.737 62.100 -0.293 0.000 1.009 283 T CB 1.499 70.221 68.868 -0.244 0.000 1.118 283 T HN 0.435 nan 8.240 nan 0.000 0.497 284 P HA 0.079 nan 4.420 nan 0.000 0.226 284 P C 1.134 178.236 177.300 -0.330 0.000 1.146 284 P CA 0.776 63.629 63.100 -0.413 0.000 0.773 284 P CB 0.003 31.326 31.700 -0.629 0.000 0.772 285 L N -3.453 117.535 121.223 -0.390 0.000 2.408 285 L HA 0.379 4.703 4.340 -0.028 0.000 0.215 285 L C 1.239 177.829 176.870 -0.467 0.000 1.081 285 L CA 0.308 54.882 54.840 -0.442 0.000 0.840 285 L CB -0.215 41.465 42.059 -0.632 0.000 1.002 285 L HN 0.026 nan 8.230 nan 0.000 0.468 286 G N -0.655 107.930 108.800 -0.359 0.000 2.313 286 G HA2 0.508 4.451 3.960 -0.028 0.000 0.296 286 G HA3 0.508 4.451 3.960 -0.028 0.000 0.296 286 G C -1.973 172.891 174.900 -0.061 0.000 1.356 286 G CA -0.144 44.906 45.100 -0.084 0.000 0.833 286 G HN 0.020 nan 8.290 nan 0.000 0.552 287 A N -0.501 122.324 122.820 0.008 0.000 2.304 287 A HA 0.820 5.123 4.320 -0.028 0.000 0.301 287 A C -0.145 177.434 177.584 -0.008 0.000 1.132 287 A CA -0.488 51.531 52.037 -0.031 0.000 0.819 287 A CB 0.513 19.498 19.000 -0.025 0.000 1.094 287 A HN 0.742 nan 8.150 nan 0.000 0.492 288 I N 2.002 122.533 120.570 -0.064 0.000 2.378 288 I HA 0.227 4.381 4.170 -0.028 0.000 0.291 288 I C -0.363 175.716 176.117 -0.064 0.000 0.992 288 I CA -0.482 60.777 61.300 -0.068 0.000 1.154 288 I CB 1.724 39.628 38.000 -0.160 0.000 1.315 288 I HN 0.717 nan 8.210 nan 0.000 0.448 289 N N 4.707 123.384 118.700 -0.038 0.000 2.626 289 N HA 0.383 5.107 4.740 -0.028 0.000 0.249 289 N C -1.111 174.383 175.510 -0.028 0.000 1.021 289 N CA -0.098 52.933 53.050 -0.033 0.000 0.886 289 N CB 1.210 39.685 38.487 -0.019 0.000 1.149 289 N HN 0.621 nan 8.380 nan 0.000 0.517 290 T N 0.128 114.659 114.554 -0.037 0.000 2.853 290 T HA 0.368 4.702 4.350 -0.028 0.000 0.311 290 T C 0.560 175.236 174.700 -0.038 0.000 1.307 290 T CA -0.302 61.781 62.100 -0.029 0.000 1.019 290 T CB 0.898 69.753 68.868 -0.021 0.000 1.264 290 T HN 0.444 nan 8.240 nan 0.000 0.497 291 T N 1.004 115.539 114.554 -0.032 0.000 3.054 291 T HA 0.395 4.729 4.350 -0.028 0.000 0.255 291 T C 0.852 175.517 174.700 -0.059 0.000 1.035 291 T CA -0.196 61.878 62.100 -0.044 0.000 0.941 291 T CB -0.316 68.534 68.868 -0.031 0.000 1.026 291 T HN 0.434 nan 8.240 nan 0.000 0.533 292 L N 2.312 123.509 121.223 -0.043 0.000 2.453 292 L HA 0.227 4.551 4.340 -0.028 0.000 0.272 292 L C -1.405 175.393 176.870 -0.121 0.000 1.182 292 L CA -1.701 53.114 54.840 -0.041 0.000 0.858 292 L CB 0.824 42.893 42.059 0.018 0.000 1.120 292 L HN 0.005 nan 8.230 nan 0.000 0.474 293 P HA 0.015 nan 4.420 nan 0.000 0.233 293 P C -0.612 176.163 177.300 -0.876 0.000 1.167 293 P CA 1.033 63.762 63.100 -0.620 0.000 0.770 293 P CB 0.256 31.448 31.700 -0.846 0.000 0.837 294 F N -1.532 118.391 119.950 -0.046 0.000 2.599 294 F HA 0.533 5.040 4.527 -0.033 0.000 0.311 294 F C 0.553 176.387 175.800 0.056 0.000 1.076 294 F CA -0.994 56.974 58.000 -0.053 0.000 0.937 294 F CB 1.552 40.508 39.000 -0.074 0.000 1.282 294 F HN -0.145 nan 8.300 nan 0.000 0.460 295 H N -0.963 118.202 119.070 0.157 0.000 2.966 295 H HA 0.566 5.106 4.556 -0.027 0.000 0.330 295 H C -1.297 174.112 175.328 0.135 0.000 1.292 295 H CA -1.119 55.008 56.048 0.131 0.000 1.127 295 H CB 1.531 31.365 29.762 0.119 0.000 1.863 295 H HN 0.395 nan 8.280 nan 0.000 0.543 296 N N 0.836 119.612 118.700 0.128 0.000 2.390 296 N HA 0.073 4.796 4.740 -0.028 0.000 0.259 296 N C -0.229 175.532 175.510 0.418 0.000 1.395 296 N CA -0.043 53.067 53.050 0.100 0.000 0.852 296 N CB -0.030 38.434 38.487 -0.038 0.000 1.371 296 N HN 0.364 nan 8.380 nan 0.000 0.491 297 V N -0.028 120.278 119.914 0.652 0.000 2.270 297 V HA -0.055 4.048 4.120 -0.028 0.000 0.245 297 V C 0.576 176.877 176.094 0.344 0.000 1.043 297 V CA 1.602 64.165 62.300 0.439 0.000 1.014 297 V CB -0.622 31.399 31.823 0.330 0.000 0.645 297 V HN 0.653 nan 8.190 nan 0.000 0.447 298 H N -1.334 117.848 119.070 0.187 0.000 3.121 298 H HA 0.180 4.720 4.556 -0.028 0.000 0.337 298 H C -2.425 172.620 175.328 -0.471 0.000 1.198 298 H CA -0.829 55.150 56.048 -0.115 0.000 1.274 298 H CB 2.392 32.087 29.762 -0.112 0.000 1.954 298 H HN -0.099 nan 8.280 nan 0.000 0.531 299 P HA -0.003 nan 4.420 nan 0.000 0.221 299 P C 0.474 177.647 177.300 -0.212 0.000 1.150 299 P CA 0.557 63.113 63.100 -0.906 0.000 0.800 299 P CB 0.947 32.251 31.700 -0.660 0.000 0.787 300 L N 1.563 122.878 121.223 0.153 0.000 2.389 300 L HA 0.229 4.553 4.340 -0.028 0.000 0.265 300 L C 0.695 177.518 176.870 -0.078 0.000 1.167 300 L CA -0.356 54.514 54.840 0.051 0.000 1.045 300 L CB -0.017 42.100 42.059 0.097 0.000 1.351 300 L HN 0.008 nan 8.230 nan 0.000 0.419 301 T N -0.545 113.943 114.554 -0.111 0.000 2.950 301 T HA 0.781 5.115 4.350 -0.028 0.000 0.288 301 T C -0.281 174.266 174.700 -0.254 0.000 1.035 301 T CA -0.734 61.255 62.100 -0.186 0.000 1.028 301 T CB 2.451 71.228 68.868 -0.151 0.000 1.109 301 T HN 0.186 nan 8.240 nan 0.000 0.514 302 I N 0.980 121.342 120.570 -0.347 0.000 2.499 302 I HA 0.669 4.822 4.170 -0.028 0.000 0.288 302 I C 0.666 176.460 176.117 -0.539 0.000 1.048 302 I CA -0.483 60.541 61.300 -0.460 0.000 1.062 302 I CB 1.528 39.258 38.000 -0.450 0.000 1.238 302 I HN 1.243 nan 8.210 nan 0.000 0.426 303 G N 5.150 113.419 108.800 -0.885 0.000 2.280 303 G HA2 -0.050 3.893 3.960 -0.028 0.000 0.277 303 G HA3 -0.050 3.893 3.960 -0.028 0.000 0.277 303 G C -1.315 173.270 174.900 -0.525 0.000 1.288 303 G CA -0.862 43.824 45.100 -0.690 0.000 1.075 303 G HN 0.601 nan 8.290 nan 0.000 0.480 304 E N 0.086 120.169 120.200 -0.195 0.000 2.070 304 E HA 0.528 4.862 4.350 -0.028 0.000 0.261 304 E C -0.344 176.174 176.600 -0.136 0.000 0.926 304 E CA -0.493 55.835 56.400 -0.120 0.000 0.760 304 E CB 0.939 30.629 29.700 -0.015 0.000 1.133 304 E HN 0.626 nan 8.360 nan 0.000 0.420 305 c N 3.096 121.602 118.600 -0.157 0.000 2.630 305 c HA 0.573 5.127 4.570 -0.028 0.000 0.346 305 c C -1.975 172.051 174.090 -0.107 0.000 1.245 305 c CA -1.713 54.531 56.329 -0.141 0.000 1.804 305 c CB 0.924 43.343 42.510 -0.151 0.000 2.279 305 c HN 0.571 nan 8.230 nan 0.000 0.498 306 P HA 0.263 nan 4.420 nan 0.000 0.274 306 P C -1.017 176.261 177.300 -0.036 0.000 1.260 306 P CA -0.362 62.701 63.100 -0.061 0.000 0.793 306 P CB 0.390 32.127 31.700 0.063 0.000 1.048 307 K N 0.314 120.557 120.400 -0.262 0.000 2.322 307 K HA 0.154 4.457 4.320 -0.028 0.000 0.283 307 K C -0.577 175.984 176.600 -0.065 0.000 1.042 307 K CA -0.003 56.107 56.287 -0.295 0.000 0.958 307 K CB -0.384 31.645 32.500 -0.784 0.000 0.984 307 K HN 0.338 nan 8.250 nan 0.000 0.473 308 Y N 3.407 123.594 120.300 -0.188 0.000 2.359 308 Y HA 0.398 4.934 4.550 -0.023 0.000 0.334 308 Y C -0.640 175.192 175.900 -0.112 0.000 1.058 308 Y CA -0.325 57.575 58.100 -0.333 0.000 1.244 308 Y CB 0.569 38.890 38.460 -0.231 0.000 1.187 308 Y HN 0.285 nan 8.280 nan 0.000 0.510 309 V N 7.085 126.516 119.914 -0.805 0.000 2.876 309 V HA 0.303 4.407 4.120 -0.028 0.000 0.312 309 V C -0.458 175.244 176.094 -0.654 0.000 1.085 309 V CA -1.299 60.699 62.300 -0.504 0.000 0.945 309 V CB 2.353 34.034 31.823 -0.237 0.000 1.017 309 V HN 0.695 nan 8.190 nan 0.000 0.428 310 K N 2.646 122.818 120.400 -0.381 0.000 3.192 310 K HA 0.363 4.667 4.320 -0.028 0.000 0.269 310 K C -0.327 176.169 176.600 -0.174 0.000 1.270 310 K CA -0.014 56.114 56.287 -0.266 0.000 1.249 310 K CB 0.196 32.614 32.500 -0.136 0.000 1.528 310 K HN 0.576 nan 8.250 nan 0.000 0.360 311 S N 0.023 115.610 115.700 -0.188 0.000 2.566 311 S HA 0.236 4.690 4.470 -0.028 0.000 0.298 311 S C 0.520 175.070 174.600 -0.083 0.000 1.083 311 S CA -0.860 57.265 58.200 -0.126 0.000 0.978 311 S CB 2.057 65.167 63.200 -0.150 0.000 1.073 311 S HN 0.320 nan 8.310 nan 0.000 0.491 312 E N 0.725 120.893 120.200 -0.054 0.000 2.251 312 E HA 0.068 4.402 4.350 -0.028 0.000 0.194 312 E C -0.014 176.575 176.600 -0.018 0.000 0.964 312 E CA 0.391 56.775 56.400 -0.026 0.000 0.868 312 E CB 0.325 30.015 29.700 -0.017 0.000 0.828 312 E HN 0.595 nan 8.360 nan 0.000 0.481 313 K N 0.287 120.669 120.400 -0.031 0.000 2.543 313 K HA 0.434 4.737 4.320 -0.028 0.000 0.255 313 K C -1.335 175.240 176.600 -0.040 0.000 0.934 313 K CA -0.535 55.739 56.287 -0.022 0.000 0.810 313 K CB 1.361 33.854 32.500 -0.012 0.000 1.315 313 K HN -0.127 nan 8.250 nan 0.000 0.433 314 L N 3.315 124.522 121.223 -0.027 0.000 2.433 314 L HA 0.371 4.695 4.340 -0.028 0.000 0.256 314 L C -1.213 175.658 176.870 0.001 0.000 1.063 314 L CA -1.029 53.788 54.840 -0.037 0.000 0.922 314 L CB 1.749 43.771 42.059 -0.062 0.000 1.238 314 L HN 0.455 nan 8.230 nan 0.000 0.466 315 V N 3.435 123.348 119.914 -0.002 0.000 2.370 315 V HA 0.357 4.460 4.120 -0.028 0.000 0.283 315 V C -0.214 175.890 176.094 0.017 0.000 1.023 315 V CA -0.522 61.787 62.300 0.015 0.000 0.857 315 V CB 2.278 34.109 31.823 0.014 0.000 0.985 315 V HN 0.333 nan 8.190 nan 0.000 0.443 316 L N 5.080 126.323 121.223 0.032 0.000 2.265 316 L HA 0.727 5.051 4.340 -0.028 0.000 0.289 316 L C 0.653 177.552 176.870 0.048 0.000 1.033 316 L CA -0.245 54.615 54.840 0.034 0.000 0.814 316 L CB 1.068 43.151 42.059 0.040 0.000 1.203 316 L HN 0.772 nan 8.230 nan 0.000 0.423 317 A N 2.947 125.794 122.820 0.045 0.000 2.511 317 A HA 0.439 4.742 4.320 -0.028 0.000 0.242 317 A C 1.020 178.660 177.584 0.094 0.000 1.069 317 A CA 0.580 52.656 52.037 0.065 0.000 0.763 317 A CB -0.057 18.973 19.000 0.050 0.000 1.001 317 A HN 0.917 nan 8.150 nan 0.000 0.498 318 T N 0.434 115.074 114.554 0.144 0.000 3.019 318 T HA 0.377 4.710 4.350 -0.028 0.000 0.247 318 T C 1.032 175.886 174.700 0.256 0.000 0.992 318 T CA 0.575 62.789 62.100 0.189 0.000 1.036 318 T CB -0.347 68.643 68.868 0.204 0.000 1.063 318 T HN 1.015 nan 8.240 nan 0.000 0.476 319 G N 2.161 111.089 108.800 0.215 0.000 2.537 319 G HA2 0.647 4.590 3.960 -0.028 0.000 0.297 319 G HA3 0.647 4.590 3.960 -0.028 0.000 0.297 319 G C 0.031 174.530 174.900 -0.667 0.000 1.310 319 G CA -1.079 43.948 45.100 -0.122 0.000 1.027 319 G HN 0.691 nan 8.290 nan 0.000 0.505 320 L N -1.798 118.612 121.223 -1.355 0.000 2.470 320 L HA 0.556 4.879 4.340 -0.028 0.000 0.243 320 L C 0.976 177.653 176.870 -0.323 0.000 1.227 320 L CA -1.100 53.196 54.840 -0.906 0.000 0.824 320 L CB 0.392 41.961 42.059 -0.818 0.000 1.175 320 L HN 0.453 nan 8.230 nan 0.000 0.503 321 R N 1.633 122.002 120.500 -0.218 0.000 2.370 321 R HA 0.050 4.373 4.340 -0.028 0.000 0.309 321 R C -0.384 175.861 176.300 -0.091 0.000 1.059 321 R CA -0.323 55.703 56.100 -0.122 0.000 0.981 321 R CB 0.187 30.426 30.300 -0.102 0.000 0.972 321 R HN 0.724 nan 8.270 nan 0.000 0.437 322 N N 3.499 122.153 118.700 -0.077 0.000 2.452 322 N HA 0.069 4.793 4.740 -0.028 0.000 0.266 322 N C -1.304 174.183 175.510 -0.039 0.000 1.175 322 N CA -0.041 52.969 53.050 -0.068 0.000 0.945 322 N CB 1.131 39.563 38.487 -0.092 0.000 1.063 322 N HN 0.368 nan 8.380 nan 0.000 0.472 323 V N 6.294 126.198 119.914 -0.016 0.000 2.383 323 V HA 0.292 4.396 4.120 -0.028 0.000 0.261 323 V C -2.006 174.064 176.094 -0.040 0.000 0.987 323 V CA -1.252 61.047 62.300 -0.000 0.000 0.853 323 V CB 0.966 32.843 31.823 0.089 0.000 1.095 323 V HN 0.611 nan 8.190 nan 0.000 0.461 331 L N -0.530 120.609 121.223 -0.139 0.000 2.211 331 L HA 0.021 4.345 4.340 -0.028 0.000 0.216 331 L C 2.068 178.483 176.870 -0.758 0.000 1.092 331 L CA 1.803 56.351 54.840 -0.487 0.000 0.767 331 L CB -0.833 40.807 42.059 -0.697 0.000 0.894 331 L HN 0.537 nan 8.230 nan 0.000 0.437 332 F N -1.487 118.442 119.950 -0.035 0.000 2.678 332 F HA 0.371 4.877 4.527 -0.036 0.000 0.305 332 F C 1.860 177.655 175.800 -0.009 0.000 1.090 332 F CA 0.335 58.319 58.000 -0.026 0.000 1.272 332 F CB -0.385 38.586 39.000 -0.049 0.000 1.060 332 F HN 0.096 nan 8.300 nan 0.000 0.576 333 G N 0.665 109.500 108.800 0.060 0.000 2.200 333 G HA2 -0.365 3.578 3.960 -0.028 0.000 0.268 333 G HA3 -0.365 3.578 3.960 -0.028 0.000 0.268 333 G C 1.156 176.070 174.900 0.023 0.000 0.986 333 G CA 0.677 45.812 45.100 0.057 0.000 0.677 333 G HN 0.573 nan 8.290 nan 0.000 0.532 334 A N -0.308 122.438 122.820 -0.123 0.000 1.922 334 A HA 0.641 4.944 4.320 -0.028 0.000 0.216 334 A C 1.229 178.496 177.584 -0.528 0.000 1.370 334 A CA 0.675 52.370 52.037 -0.570 0.000 0.627 334 A CB -0.040 18.673 19.000 -0.477 0.000 1.060 334 A HN 0.716 nan 8.150 nan 0.000 0.487 335 I N 0.635 120.914 120.570 -0.485 0.000 2.742 335 I HA 0.141 4.294 4.170 -0.028 0.000 0.287 335 I C 1.228 177.157 176.117 -0.314 0.000 1.186 335 I CA 0.958 61.851 61.300 -0.678 0.000 1.417 335 I CB 0.499 38.030 38.000 -0.781 0.000 1.377 335 I HN 0.679 nan 8.210 nan 0.000 0.556 336 A N 4.282 127.031 122.820 -0.118 0.000 2.832 336 A HA -0.169 4.134 4.320 -0.028 0.000 0.280 336 A C 0.869 178.409 177.584 -0.073 0.000 1.464 336 A CA 1.084 53.095 52.037 -0.043 0.000 0.804 336 A CB -2.073 16.897 19.000 -0.050 0.000 1.020 336 A HN 1.030 nan 8.150 nan 0.000 0.563 337 G N -1.243 107.487 108.800 -0.117 0.000 3.088 337 G HA2 0.500 4.444 3.960 -0.028 0.000 0.197 337 G HA3 0.500 4.444 3.960 -0.028 0.000 0.197 337 G C 0.625 175.492 174.900 -0.054 0.000 1.611 337 G CA 0.279 45.326 45.100 -0.088 0.000 0.771 337 G HN 1.196 nan 8.290 nan 0.000 0.789 338 F N 0.697 120.598 119.950 -0.082 0.000 2.661 338 F HA 0.496 5.006 4.527 -0.028 0.000 0.298 338 F C 0.540 176.283 175.800 -0.095 0.000 1.137 338 F CA -0.371 57.567 58.000 -0.103 0.000 1.454 338 F CB -0.090 38.815 39.000 -0.159 0.000 1.103 338 F HN -0.109 nan 8.300 nan 0.000 0.577 339 I N 1.913 122.164 120.570 -0.532 0.000 2.388 339 I HA 0.178 4.331 4.170 -0.028 0.000 0.281 339 I C 0.640 176.706 176.117 -0.085 0.000 1.046 339 I CA -0.326 60.811 61.300 -0.272 0.000 1.187 339 I CB 1.078 38.882 38.000 -0.327 0.000 1.351 339 I HN 0.146 nan 8.210 nan 0.000 0.472 340 E N 3.901 124.074 120.200 -0.045 0.000 2.118 340 E HA -0.076 4.258 4.350 -0.028 0.000 0.195 340 E C 1.109 177.711 176.600 0.002 0.000 0.992 340 E CA 0.723 57.115 56.400 -0.014 0.000 0.804 340 E CB 0.222 29.919 29.700 -0.006 0.000 0.741 340 E HN 0.784 nan 8.360 nan 0.000 0.458 341 G N -0.483 108.271 108.800 -0.078 0.000 2.733 341 G HA2 0.530 4.473 3.960 -0.028 0.000 0.288 341 G HA3 0.530 4.473 3.960 -0.028 0.000 0.288 341 G C -0.499 174.039 174.900 -0.604 0.000 1.373 341 G CA -0.319 44.686 45.100 -0.157 0.000 0.895 341 G HN 0.165 nan 8.290 nan 0.000 0.479 342 G N -1.739 106.760 108.800 -0.502 0.000 2.537 342 G HA2 0.508 4.452 3.960 -0.028 0.000 0.297 342 G HA3 0.508 4.452 3.960 -0.028 0.000 0.297 342 G C -1.310 173.354 174.900 -0.393 0.000 1.310 342 G CA -0.546 44.103 45.100 -0.751 0.000 1.027 342 G HN 0.389 nan 8.290 nan 0.000 0.505 343 W N 0.340 121.435 121.300 -0.341 0.000 2.521 343 W HA 0.389 5.034 4.660 -0.025 0.000 0.310 343 W C 0.832 177.171 176.519 -0.299 0.000 1.000 343 W CA -1.015 56.164 57.345 -0.278 0.000 1.353 343 W CB 0.853 30.170 29.460 -0.239 0.000 1.276 343 W HN 0.673 nan 8.180 nan 0.000 0.417 344 Q N 1.200 120.961 119.800 -0.065 0.000 2.364 344 Q HA -0.064 4.259 4.340 -0.028 0.000 0.207 344 Q C 2.089 177.992 176.000 -0.162 0.000 0.970 344 Q CA 1.310 57.041 55.803 -0.121 0.000 0.888 344 Q CB 0.200 28.880 28.738 -0.098 0.000 0.951 344 Q HN 0.706 nan 8.270 nan 0.000 0.469 345 G N 1.272 109.855 108.800 -0.362 0.000 2.422 345 G HA2 -0.194 3.749 3.960 -0.028 0.000 0.218 345 G HA3 -0.194 3.749 3.960 -0.028 0.000 0.218 345 G C 0.738 175.293 174.900 -0.575 0.000 1.146 345 G CA -0.007 44.667 45.100 -0.710 0.000 0.769 345 G HN 0.258 nan 8.290 nan 0.000 0.547 346 M N 1.353 120.726 119.600 -0.378 0.000 2.194 346 M HA 0.399 4.863 4.480 -0.028 0.000 0.347 346 M C 0.395 176.788 176.300 0.155 0.000 1.439 346 M CA 0.021 55.339 55.300 0.031 0.000 1.131 346 M CB 0.513 33.312 32.600 0.331 0.000 1.733 346 M HN 0.173 nan 8.290 nan 0.000 0.467 347 I N 1.447 122.082 120.570 0.107 0.000 4.403 347 I HA 0.137 4.290 4.170 -0.028 0.000 0.331 347 I C 0.724 176.844 176.117 0.004 0.000 1.327 347 I CA -0.301 61.053 61.300 0.091 0.000 1.175 347 I CB -0.009 38.027 38.000 0.060 0.000 1.165 347 I HN 0.490 nan 8.210 nan 0.000 0.413 348 D N 2.237 122.649 120.400 0.020 0.000 2.149 348 D HA 0.101 4.724 4.640 -0.028 0.000 0.201 348 D C 1.241 177.467 176.300 -0.122 0.000 0.972 348 D CA 1.341 55.325 54.000 -0.028 0.000 0.835 348 D CB 0.077 40.898 40.800 0.036 0.000 0.966 348 D HN 0.446 nan 8.370 nan 0.000 0.476 349 G N -1.667 107.063 108.800 -0.118 0.000 2.846 349 G HA2 0.239 4.182 3.960 -0.028 0.000 0.299 349 G HA3 0.239 4.182 3.960 -0.028 0.000 0.299 349 G C -0.847 173.925 174.900 -0.214 0.000 1.242 349 G CA -0.508 44.456 45.100 -0.226 0.000 0.800 349 G HN -0.039 nan 8.290 nan 0.000 0.538 350 W N -0.435 120.687 121.300 -0.296 0.000 2.762 350 W HA 0.405 5.051 4.660 -0.023 0.000 0.265 350 W C -0.195 175.961 176.519 -0.605 0.000 1.263 350 W CA 0.085 57.097 57.345 -0.556 0.000 1.411 350 W CB -0.144 28.750 29.460 -0.943 0.000 1.065 350 W HN 0.302 nan 8.180 nan 0.000 0.609 351 Y N -0.712 119.777 120.300 0.315 0.000 2.553 351 Y HA 0.735 5.267 4.550 -0.031 0.000 0.347 351 Y C 0.673 176.651 175.900 0.131 0.000 1.019 351 Y CA -0.817 57.388 58.100 0.175 0.000 1.032 351 Y CB 1.493 40.014 38.460 0.103 0.000 1.284 351 Y HN -0.138 nan 8.280 nan 0.000 0.466 352 G N -0.005 108.915 108.800 0.199 0.000 2.341 352 G HA2 0.463 4.407 3.960 -0.028 0.000 0.299 352 G HA3 0.463 4.407 3.960 -0.028 0.000 0.299 352 G C -2.481 172.476 174.900 0.095 0.000 1.274 352 G CA -0.910 44.276 45.100 0.143 0.000 0.853 352 G HN 0.377 nan 8.290 nan 0.000 0.493 353 Y N -1.463 119.151 120.300 0.524 0.000 2.562 353 Y HA 0.718 5.252 4.550 -0.026 0.000 0.343 353 Y C 0.945 177.119 175.900 0.455 0.000 1.025 353 Y CA -0.625 57.796 58.100 0.536 0.000 1.082 353 Y CB 2.037 40.700 38.460 0.338 0.000 1.264 353 Y HN 0.819 nan 8.280 nan 0.000 0.478 354 H N 0.109 119.392 119.070 0.355 0.000 2.348 354 H HA 0.096 4.635 4.556 -0.028 0.000 0.313 354 H C -0.299 175.015 175.328 -0.024 0.000 1.051 354 H CA 1.583 57.537 56.048 -0.157 0.000 1.420 354 H CB 0.233 29.657 29.762 -0.563 0.000 1.484 354 H HN 0.718 nan 8.280 nan 0.000 0.609 355 H N -0.143 118.922 119.070 -0.008 0.000 4.103 355 H HA -0.160 4.380 4.556 -0.028 0.000 0.284 355 H C -1.519 173.688 175.328 -0.201 0.000 0.687 355 H CA 0.647 56.658 56.048 -0.061 0.000 0.806 355 H CB -1.526 28.188 29.762 -0.080 0.000 1.259 355 H HN 0.371 nan 8.280 nan 0.000 0.315 356 S N 4.054 119.678 115.700 -0.127 0.000 2.474 356 S HA 0.424 4.877 4.470 -0.028 0.000 0.321 356 S C -0.286 174.276 174.600 -0.064 0.000 1.080 356 S CA -0.670 57.437 58.200 -0.156 0.000 1.106 356 S CB 0.984 64.184 63.200 -0.001 0.000 0.984 356 S HN 0.665 nan 8.310 nan 0.000 0.464 357 N N 1.538 120.181 118.700 -0.094 0.000 2.453 357 N HA 0.351 5.074 4.740 -0.028 0.000 0.290 357 N C -0.376 175.114 175.510 -0.034 0.000 1.250 357 N CA -0.705 52.332 53.050 -0.022 0.000 0.815 357 N CB 1.563 40.079 38.487 0.048 0.000 1.381 357 N HN 0.686 nan 8.380 nan 0.000 0.510 358 D N -0.305 120.079 120.400 -0.026 0.000 2.336 358 D HA 0.016 4.640 4.640 -0.028 0.000 0.228 358 D C 0.073 176.362 176.300 -0.018 0.000 1.120 358 D CA 0.648 54.635 54.000 -0.021 0.000 0.839 358 D CB 0.049 40.840 40.800 -0.015 0.000 0.932 358 D HN 0.505 nan 8.370 nan 0.000 0.509 359 Q N -0.432 119.359 119.800 -0.016 0.000 2.189 359 Q HA 0.435 4.759 4.340 -0.028 0.000 0.223 359 Q C 0.622 176.613 176.000 -0.015 0.000 0.828 359 Q CA 0.084 55.880 55.803 -0.011 0.000 0.967 359 Q CB 1.802 30.537 28.738 -0.006 0.000 1.139 359 Q HN 0.338 nan 8.270 nan 0.000 0.497 360 G N -0.059 108.720 108.800 -0.035 0.000 2.362 360 G HA2 0.118 4.061 3.960 -0.028 0.000 0.288 360 G HA3 0.118 4.061 3.960 -0.028 0.000 0.288 360 G C -1.238 173.550 174.900 -0.185 0.000 1.305 360 G CA -0.708 44.347 45.100 -0.074 0.000 0.910 360 G HN -0.043 nan 8.290 nan 0.000 0.518 361 S N -1.771 113.766 115.700 -0.271 0.000 2.751 361 S HA 1.001 5.455 4.470 -0.028 0.000 0.310 361 S C 0.174 174.388 174.600 -0.643 0.000 1.128 361 S CA 0.146 58.008 58.200 -0.564 0.000 0.931 361 S CB 1.801 64.786 63.200 -0.359 0.000 1.177 361 S HN 2.139 nan 8.310 nan 0.000 0.530 362 G N 0.012 108.185 108.800 -1.044 0.000 2.519 362 G HA2 0.531 4.474 3.960 -0.028 0.000 0.292 362 G HA3 0.531 4.474 3.960 -0.028 0.000 0.292 362 G C -2.489 171.980 174.900 -0.719 0.000 1.507 362 G CA -0.611 44.146 45.100 -0.572 0.000 0.806 362 G HN 0.472 nan 8.290 nan 0.000 0.523 363 Y N -0.040 120.196 120.300 -0.107 0.000 2.377 363 Y HA 0.710 5.244 4.550 -0.027 0.000 0.339 363 Y C 0.538 176.507 175.900 0.114 0.000 1.011 363 Y CA -0.241 57.868 58.100 0.015 0.000 1.093 363 Y CB 2.604 41.087 38.460 0.040 0.000 1.201 363 Y HN 0.863 nan 8.280 nan 0.000 0.455 364 A N 1.869 124.914 122.820 0.374 0.000 2.437 364 A HA 0.804 5.107 4.320 -0.028 0.000 0.293 364 A C -1.042 176.786 177.584 0.407 0.000 1.038 364 A CA -0.659 51.567 52.037 0.316 0.000 0.708 364 A CB 0.600 19.731 19.000 0.218 0.000 1.251 364 A HN 0.852 nan 8.150 nan 0.000 0.409 365 A N 1.557 124.559 122.820 0.303 0.000 2.371 365 A HA 0.513 4.817 4.320 -0.028 0.000 0.257 365 A C 0.009 177.783 177.584 0.317 0.000 1.089 365 A CA 0.005 52.215 52.037 0.288 0.000 0.794 365 A CB 0.029 19.127 19.000 0.164 0.000 1.029 365 A HN 0.863 nan 8.150 nan 0.000 0.488 366 D N 1.348 121.953 120.400 0.341 0.000 2.359 366 D HA 0.175 4.798 4.640 -0.028 0.000 0.250 366 D C 1.112 177.558 176.300 0.244 0.000 1.264 366 D CA 0.081 54.299 54.000 0.363 0.000 0.911 366 D CB 0.453 41.445 40.800 0.321 0.000 1.056 366 D HN 0.474 nan 8.370 nan 0.000 0.499 367 K N 2.666 123.175 120.400 0.180 0.000 2.057 367 K HA -0.180 4.124 4.320 -0.028 0.000 0.207 367 K C 1.554 178.222 176.600 0.113 0.000 1.049 367 K CA 0.932 57.284 56.287 0.108 0.000 0.931 367 K CB 0.143 32.682 32.500 0.064 0.000 0.714 367 K HN 0.546 nan 8.250 nan 0.000 0.440 368 E N 0.875 121.151 120.200 0.127 0.000 2.051 368 E HA -0.165 4.168 4.350 -0.028 0.000 0.192 368 E C 2.066 178.752 176.600 0.143 0.000 0.991 368 E CA 1.724 58.192 56.400 0.114 0.000 0.799 368 E CB 0.087 29.847 29.700 0.100 0.000 0.748 368 E HN 0.273 nan 8.360 nan 0.000 0.449 369 S N -0.725 115.075 115.700 0.168 0.000 2.402 369 S HA -0.118 4.336 4.470 -0.028 0.000 0.229 369 S C 2.050 176.865 174.600 0.357 0.000 1.021 369 S CA 1.449 59.753 58.200 0.174 0.000 0.974 369 S CB -0.543 62.703 63.200 0.076 0.000 0.800 369 S HN 0.193 nan 8.310 nan 0.000 0.484 370 T N 1.996 116.792 114.554 0.403 0.000 2.708 370 T HA -0.131 4.203 4.350 -0.028 0.000 0.266 370 T C 1.921 176.795 174.700 0.289 0.000 1.037 370 T CA 1.765 64.108 62.100 0.404 0.000 1.146 370 T CB -0.597 68.347 68.868 0.126 0.000 0.865 370 T HN 0.494 nan 8.240 nan 0.000 0.435 371 Q N 1.313 121.212 119.800 0.165 0.000 2.135 371 Q HA -0.091 4.233 4.340 -0.028 0.000 0.204 371 Q C 2.122 178.278 176.000 0.260 0.000 0.981 371 Q CA 1.731 57.623 55.803 0.149 0.000 0.856 371 Q CB -0.216 28.571 28.738 0.083 0.000 0.902 371 Q HN 0.477 nan 8.270 nan 0.000 0.425 372 K N -1.101 119.452 120.400 0.256 0.000 2.001 372 K HA -0.054 4.250 4.320 -0.028 0.000 0.208 372 K C 1.935 178.753 176.600 0.362 0.000 1.048 372 K CA 1.107 57.544 56.287 0.249 0.000 0.932 372 K CB -0.321 32.289 32.500 0.183 0.000 0.715 372 K HN 0.260 nan 8.250 nan 0.000 0.437 373 A N 0.578 123.691 122.820 0.489 0.000 1.933 373 A HA -0.184 4.119 4.320 -0.028 0.000 0.218 373 A C 2.003 180.025 177.584 0.729 0.000 1.175 373 A CA 1.370 53.833 52.037 0.710 0.000 0.628 373 A CB -0.797 18.706 19.000 0.838 0.000 0.814 373 A HN 0.488 nan 8.150 nan 0.000 0.444 374 F N 1.323 121.574 119.950 0.501 0.000 2.075 374 F HA -0.200 4.314 4.527 -0.022 0.000 0.297 374 F C 1.888 177.798 175.800 0.184 0.000 1.113 374 F CA 2.186 60.355 58.000 0.281 0.000 1.218 374 F CB -0.236 38.737 39.000 -0.045 0.000 0.984 374 F HN 0.247 nan 8.300 nan 0.000 0.472 375 D N 0.264 120.823 120.400 0.264 0.000 2.116 375 D HA -0.186 4.437 4.640 -0.028 0.000 0.193 375 D C 2.479 178.787 176.300 0.013 0.000 0.998 375 D CA 1.574 55.638 54.000 0.107 0.000 0.836 375 D CB -1.269 39.621 40.800 0.150 0.000 0.951 375 D HN 0.460 nan 8.370 nan 0.000 0.449 376 G N 1.463 110.309 108.800 0.077 0.000 2.514 376 G HA2 -0.252 3.691 3.960 -0.028 0.000 0.217 376 G HA3 -0.252 3.691 3.960 -0.028 0.000 0.217 376 G C 1.589 176.386 174.900 -0.172 0.000 1.198 376 G CA 0.680 45.740 45.100 -0.066 0.000 0.780 376 G HN 0.172 nan 8.290 nan 0.000 0.565 377 I N 1.398 121.907 120.570 -0.102 0.000 2.208 377 I HA -0.144 4.009 4.170 -0.028 0.000 0.245 377 I C 2.974 178.999 176.117 -0.154 0.000 1.097 377 I CA 1.680 62.910 61.300 -0.116 0.000 1.363 377 I CB -1.655 36.375 38.000 0.049 0.000 1.051 377 I HN 0.137 nan 8.210 nan 0.000 0.413 378 T N 1.586 115.994 114.554 -0.243 0.000 2.635 378 T HA -0.191 4.143 4.350 -0.028 0.000 0.267 378 T C 1.789 176.405 174.700 -0.139 0.000 1.040 378 T CA 1.661 63.607 62.100 -0.258 0.000 1.156 378 T CB -0.337 68.336 68.868 -0.326 0.000 0.863 378 T HN 0.306 nan 8.240 nan 0.000 0.430 379 N N 0.964 119.595 118.700 -0.114 0.000 2.036 379 N HA -0.140 4.584 4.740 -0.028 0.000 0.195 379 N C 1.906 177.364 175.510 -0.086 0.000 1.037 379 N CA 1.319 54.319 53.050 -0.083 0.000 0.855 379 N CB -0.377 38.066 38.487 -0.074 0.000 1.033 379 N HN 0.482 nan 8.380 nan 0.000 0.423 380 K N 1.318 121.649 120.400 -0.116 0.000 2.044 380 K HA -0.125 4.178 4.320 -0.028 0.000 0.210 380 K C 1.938 178.500 176.600 -0.062 0.000 1.049 380 K CA 1.371 57.596 56.287 -0.102 0.000 0.927 380 K CB -0.133 32.281 32.500 -0.143 0.000 0.713 380 K HN -0.073 nan 8.250 nan 0.000 0.443 381 V N 2.347 122.225 119.914 -0.061 0.000 2.287 381 V HA -0.270 3.833 4.120 -0.028 0.000 0.248 381 V C 1.977 178.053 176.094 -0.030 0.000 1.053 381 V CA 2.113 64.393 62.300 -0.034 0.000 1.027 381 V CB -0.748 31.055 31.823 -0.033 0.000 0.646 381 V HN 0.433 nan 8.190 nan 0.000 0.447 382 N N 0.207 118.882 118.700 -0.043 0.000 2.289 382 N HA -0.103 4.621 4.740 -0.028 0.000 0.184 382 N C 2.023 177.516 175.510 -0.027 0.000 1.016 382 N CA 1.578 54.608 53.050 -0.034 0.000 0.872 382 N CB -0.256 38.209 38.487 -0.036 0.000 0.973 382 N HN 0.473 nan 8.380 nan 0.000 0.433 383 S N 0.078 115.762 115.700 -0.027 0.000 2.377 383 S HA 0.012 4.465 4.470 -0.028 0.000 0.223 383 S C 2.238 176.836 174.600 -0.004 0.000 1.030 383 S CA 0.393 58.583 58.200 -0.016 0.000 0.970 383 S CB -0.213 62.976 63.200 -0.018 0.000 0.830 383 S HN 0.052 nan 8.310 nan 0.000 0.473 384 V N 2.205 122.121 119.914 0.004 0.000 2.392 384 V HA -0.166 3.938 4.120 -0.028 0.000 0.249 384 V C 1.957 178.053 176.094 0.004 0.000 1.059 384 V CA 1.600 63.920 62.300 0.033 0.000 1.051 384 V CB -0.684 31.172 31.823 0.055 0.000 0.658 384 V HN 0.450 nan 8.190 nan 0.000 0.455 385 I N 0.211 120.769 120.570 -0.020 0.000 2.494 385 I HA -0.093 4.060 4.170 -0.028 0.000 0.250 385 I C 2.496 178.571 176.117 -0.070 0.000 1.112 385 I CA 1.145 62.411 61.300 -0.057 0.000 1.438 385 I CB -0.345 37.629 38.000 -0.042 0.000 1.111 385 I HN 0.427 nan 8.210 nan 0.000 0.431 386 E N 1.159 121.331 120.200 -0.046 0.000 2.481 386 E HA -0.082 4.251 4.350 -0.028 0.000 0.195 386 E C 1.355 177.933 176.600 -0.037 0.000 1.047 386 E CA 0.371 56.745 56.400 -0.043 0.000 0.867 386 E CB 0.041 29.724 29.700 -0.029 0.000 0.858 386 E HN 0.300 nan 8.360 nan 0.000 0.513 387 K N 0.450 120.832 120.400 -0.030 0.000 2.400 387 K HA 0.097 4.401 4.320 -0.028 0.000 0.194 387 K C 0.685 177.274 176.600 -0.019 0.000 1.033 387 K CA -0.046 56.235 56.287 -0.010 0.000 1.021 387 K CB -0.100 32.409 32.500 0.016 0.000 0.808 387 K HN 0.209 nan 8.250 nan 0.000 0.505 388 M N 2.603 122.158 119.600 -0.075 0.000 2.364 388 M HA 0.012 4.475 4.480 -0.028 0.000 0.342 388 M C -0.426 175.806 176.300 -0.113 0.000 1.601 388 M CA -0.490 54.726 55.300 -0.139 0.000 1.156 388 M CB -0.326 32.099 32.600 -0.293 0.000 1.912 388 M HN -0.139 nan 8.290 nan 0.000 0.460 389 N N 2.901 121.562 118.700 -0.066 0.000 2.442 389 N HA 0.192 4.915 4.740 -0.028 0.000 0.265 389 N C -1.231 174.229 175.510 -0.083 0.000 1.138 389 N CA 0.141 53.163 53.050 -0.047 0.000 0.956 389 N CB 0.663 39.152 38.487 0.003 0.000 1.067 389 N HN 0.677 nan 8.380 nan 0.000 0.474 390 T N 2.983 117.490 114.554 -0.077 0.000 2.791 390 T HA 0.343 4.676 4.350 -0.028 0.000 0.288 390 T C -0.788 173.888 174.700 -0.041 0.000 0.999 390 T CA -0.680 61.368 62.100 -0.087 0.000 0.952 390 T CB 0.244 69.050 68.868 -0.102 0.000 0.938 390 T HN 0.622 nan 8.240 nan 0.000 0.444 391 Q N 3.706 123.486 119.800 -0.032 0.000 2.378 391 Q HA 0.550 4.873 4.340 -0.028 0.000 0.276 391 Q C -0.881 175.141 176.000 0.037 0.000 1.083 391 Q CA -1.120 54.696 55.803 0.023 0.000 0.856 391 Q CB 1.559 30.318 28.738 0.036 0.000 1.383 391 Q HN 0.630 nan 8.270 nan 0.000 0.458 392 F N 0.548 120.476 119.950 -0.036 0.000 2.467 392 F HA 0.446 4.956 4.527 -0.027 0.000 0.362 392 F C -0.151 175.631 175.800 -0.029 0.000 1.090 392 F CA 0.783 58.761 58.000 -0.038 0.000 1.202 392 F CB 0.412 39.394 39.000 -0.031 0.000 1.113 392 F HN 0.814 nan 8.300 nan 0.000 0.541 393 E N 3.250 123.108 120.200 -0.570 0.000 2.392 393 E HA 0.660 4.994 4.350 -0.028 0.000 0.279 393 E C -0.740 175.585 176.600 -0.457 0.000 0.964 393 E CA -0.247 55.975 56.400 -0.296 0.000 0.777 393 E CB 1.177 30.795 29.700 -0.137 0.000 1.249 393 E HN 0.875 nan 8.360 nan 0.000 0.449 394 A N -0.099 122.613 122.820 -0.179 0.000 2.035 394 A HA 0.483 4.787 4.320 -0.028 0.000 0.208 394 A C 1.821 179.347 177.584 -0.095 0.000 1.206 394 A CA 1.869 53.822 52.037 -0.139 0.000 0.773 394 A CB -0.288 18.717 19.000 0.008 0.000 0.878 394 A HN 1.713 nan 8.150 nan 0.000 0.469 395 V N -1.094 118.794 119.914 -0.043 0.000 0.635 395 V HA -0.318 3.786 4.120 -0.028 0.000 0.092 395 V C 1.546 177.646 176.094 0.011 0.000 1.463 395 V CA 1.558 63.851 62.300 -0.011 0.000 3.271 395 V CB -2.254 29.547 31.823 -0.037 0.000 0.530 395 V HN 1.247 nan 8.190 nan 0.000 0.535 396 G N 2.989 111.781 108.800 -0.013 0.000 2.178 396 G HA2 0.317 4.260 3.960 -0.028 0.000 0.244 396 G HA3 0.317 4.260 3.960 -0.028 0.000 0.244 396 G C -0.352 174.541 174.900 -0.013 0.000 1.213 396 G CA 0.812 45.910 45.100 -0.003 0.000 0.912 396 G HN 0.765 nan 8.290 nan 0.000 0.474 397 K N 1.645 122.038 120.400 -0.012 0.000 2.444 397 K HA 0.441 4.744 4.320 -0.028 0.000 0.252 397 K C -0.726 175.723 176.600 -0.251 0.000 0.993 397 K CA -0.906 55.297 56.287 -0.141 0.000 0.847 397 K CB 2.354 34.758 32.500 -0.161 0.000 1.340 397 K HN 0.429 nan 8.250 nan 0.000 0.446 398 E N 1.671 121.572 120.200 -0.498 0.000 2.176 398 E HA 0.399 4.733 4.350 -0.028 0.000 0.267 398 E C -1.107 175.075 176.600 -0.698 0.000 0.893 398 E CA -0.461 55.692 56.400 -0.412 0.000 0.761 398 E CB 1.285 30.825 29.700 -0.268 0.000 1.133 398 E HN 0.306 nan 8.360 nan 0.000 0.409 399 F N 0.389 120.343 119.950 0.007 0.000 2.576 399 F HA 0.230 4.740 4.527 -0.028 0.000 0.313 399 F C 0.922 176.743 175.800 0.036 0.000 1.078 399 F CA -0.912 57.100 58.000 0.020 0.000 0.921 399 F CB 1.717 40.729 39.000 0.020 0.000 1.232 399 F HN 0.294 nan 8.300 nan 0.000 0.459 400 S N 0.922 116.761 115.700 0.232 0.000 2.634 400 S HA 0.197 4.650 4.470 -0.028 0.000 0.261 400 S C 0.844 175.534 174.600 0.150 0.000 1.271 400 S CA -0.643 57.659 58.200 0.171 0.000 0.985 400 S CB 0.620 63.916 63.200 0.159 0.000 0.968 400 S HN 0.635 nan 8.310 nan 0.000 0.568 401 N N 0.390 119.159 118.700 0.116 0.000 2.223 401 N HA -0.024 4.699 4.740 -0.028 0.000 0.185 401 N C 1.276 176.829 175.510 0.071 0.000 1.016 401 N CA 0.949 54.050 53.050 0.086 0.000 0.863 401 N CB -0.628 37.903 38.487 0.073 0.000 0.983 401 N HN 0.569 nan 8.380 nan 0.000 0.429 402 L N 0.704 121.976 121.223 0.080 0.000 2.612 402 L HA 0.076 4.399 4.340 -0.028 0.000 0.230 402 L C 0.309 177.218 176.870 0.065 0.000 1.140 402 L CA 0.368 55.246 54.840 0.065 0.000 0.896 402 L CB 0.067 42.165 42.059 0.066 0.000 1.065 402 L HN -0.022 nan 8.230 nan 0.000 0.447 403 E N -0.407 119.842 120.200 0.082 0.000 2.939 403 E HA 0.126 4.459 4.350 -0.028 0.000 0.215 403 E C 1.038 177.622 176.600 -0.026 0.000 1.025 403 E CA -0.203 56.239 56.400 0.070 0.000 1.259 403 E CB 0.487 30.306 29.700 0.197 0.000 1.228 403 E HN 0.258 nan 8.360 nan 0.000 0.443 404 R N 0.039 120.520 120.500 -0.032 0.000 2.153 404 R HA 0.037 4.360 4.340 -0.028 0.000 0.218 404 R C 1.850 178.071 176.300 -0.131 0.000 1.072 404 R CA 0.657 56.711 56.100 -0.077 0.000 0.990 404 R CB 0.140 30.421 30.300 -0.032 0.000 0.889 404 R HN 0.106 nan 8.270 nan 0.000 0.452 405 R N 0.382 120.820 120.500 -0.103 0.000 2.066 405 R HA -0.106 4.217 4.340 -0.028 0.000 0.232 405 R C 2.175 178.367 176.300 -0.179 0.000 1.131 405 R CA 0.985 57.019 56.100 -0.109 0.000 0.955 405 R CB -0.425 29.838 30.300 -0.063 0.000 0.851 405 R HN 0.051 nan 8.270 nan 0.000 0.432 406 L N 1.681 122.774 121.223 -0.217 0.000 1.989 406 L HA -0.218 4.105 4.340 -0.028 0.000 0.211 406 L C 2.278 178.713 176.870 -0.725 0.000 1.071 406 L CA 1.923 56.572 54.840 -0.318 0.000 0.749 406 L CB -0.702 41.248 42.059 -0.183 0.000 0.890 406 L HN 0.218 nan 8.230 nan 0.000 0.431 407 E N -1.050 118.468 120.200 -1.137 0.000 2.118 407 E HA -0.288 4.045 4.350 -0.028 0.000 0.195 407 E C 2.057 178.380 176.600 -0.462 0.000 0.992 407 E CA 1.464 57.131 56.400 -1.221 0.000 0.804 407 E CB -0.316 28.953 29.700 -0.718 0.000 0.741 407 E HN 0.654 nan 8.360 nan 0.000 0.458 408 N N 0.334 118.854 118.700 -0.300 0.000 2.270 408 N HA -0.135 4.588 4.740 -0.028 0.000 0.181 408 N C 2.189 177.627 175.510 -0.120 0.000 1.016 408 N CA 0.469 53.426 53.050 -0.155 0.000 0.870 408 N CB -0.016 38.403 38.487 -0.113 0.000 0.979 408 N HN 0.284 nan 8.380 nan 0.000 0.431 409 L N 1.200 122.338 121.223 -0.140 0.000 1.994 409 L HA -0.214 4.109 4.340 -0.028 0.000 0.208 409 L C 2.244 179.088 176.870 -0.042 0.000 1.071 409 L CA 1.500 56.293 54.840 -0.079 0.000 0.745 409 L CB -0.628 41.390 42.059 -0.069 0.000 0.892 409 L HN 0.213 nan 8.230 nan 0.000 0.431 410 N N 0.260 118.928 118.700 -0.054 0.000 2.060 410 N HA -0.320 4.403 4.740 -0.028 0.000 0.195 410 N C 1.881 177.422 175.510 0.052 0.000 1.028 410 N CA 1.977 55.054 53.050 0.045 0.000 0.861 410 N CB -0.169 38.395 38.487 0.127 0.000 1.029 410 N HN 0.199 nan 8.380 nan 0.000 0.428 411 K N 0.283 120.687 120.400 0.005 0.000 2.057 411 K HA -0.209 4.094 4.320 -0.028 0.000 0.207 411 K C 1.837 178.451 176.600 0.023 0.000 1.049 411 K CA 1.294 57.595 56.287 0.024 0.000 0.931 411 K CB -0.177 32.322 32.500 -0.001 0.000 0.714 411 K HN 0.016 nan 8.250 nan 0.000 0.440 412 K N 1.374 121.770 120.400 -0.006 0.000 2.063 412 K HA -0.118 4.186 4.320 -0.028 0.000 0.208 412 K C 2.045 178.633 176.600 -0.021 0.000 1.048 412 K CA 1.581 57.856 56.287 -0.020 0.000 0.928 412 K CB -0.342 32.135 32.500 -0.039 0.000 0.713 412 K HN 0.217 nan 8.250 nan 0.000 0.442 413 M N -0.015 119.590 119.600 0.009 0.000 2.067 413 M HA -0.174 4.290 4.480 -0.028 0.000 0.260 413 M C 1.703 178.087 176.300 0.140 0.000 1.069 413 M CA 1.968 57.286 55.300 0.031 0.000 1.117 413 M CB -0.172 32.504 32.600 0.127 0.000 1.334 413 M HN 0.087 nan 8.290 nan 0.000 0.407 414 E N 0.745 121.058 120.200 0.187 0.000 2.153 414 E HA -0.183 4.151 4.350 -0.028 0.000 0.194 414 E C 1.357 178.083 176.600 0.210 0.000 0.988 414 E CA 1.541 58.086 56.400 0.242 0.000 0.811 414 E CB -0.136 29.669 29.700 0.176 0.000 0.746 414 E HN 0.525 nan 8.360 nan 0.000 0.466 415 D N -1.303 119.169 120.400 0.119 0.000 2.162 415 D HA -0.012 4.611 4.640 -0.028 0.000 0.203 415 D C 1.806 178.135 176.300 0.049 0.000 0.967 415 D CA 1.222 55.273 54.000 0.085 0.000 0.840 415 D CB -0.655 40.169 40.800 0.039 0.000 0.972 415 D HN 0.301 nan 8.370 nan 0.000 0.482 416 G N 0.068 108.852 108.800 -0.026 0.000 2.459 416 G HA2 -0.262 3.681 3.960 -0.028 0.000 0.217 416 G HA3 -0.262 3.681 3.960 -0.028 0.000 0.217 416 G C 1.505 176.336 174.900 -0.116 0.000 1.183 416 G CA 0.296 45.309 45.100 -0.146 0.000 0.776 416 G HN 0.245 nan 8.290 nan 0.000 0.552 417 F N -0.001 119.995 119.950 0.076 0.000 2.186 417 F HA 0.022 4.529 4.527 -0.033 0.000 0.299 417 F C 2.449 178.388 175.800 0.233 0.000 1.090 417 F CA 0.564 58.647 58.000 0.137 0.000 1.307 417 F CB -0.153 38.986 39.000 0.232 0.000 1.019 417 F HN 0.142 nan 8.300 nan 0.000 0.489 418 L N 0.263 121.707 121.223 0.368 0.000 2.083 418 L HA -0.218 4.105 4.340 -0.028 0.000 0.209 418 L C 1.734 178.713 176.870 0.182 0.000 1.083 418 L CA 1.915 56.922 54.840 0.278 0.000 0.752 418 L CB -0.762 41.423 42.059 0.210 0.000 0.899 418 L HN -0.036 nan 8.230 nan 0.000 0.433 419 D N -0.929 119.538 120.400 0.113 0.000 2.123 419 D HA -0.111 4.512 4.640 -0.028 0.000 0.200 419 D C 2.352 178.691 176.300 0.066 0.000 0.976 419 D CA 1.525 55.557 54.000 0.055 0.000 0.831 419 D CB -0.268 40.525 40.800 -0.012 0.000 0.974 419 D HN 0.274 nan 8.370 nan 0.000 0.469 420 V N 0.211 120.139 119.914 0.024 0.000 2.255 420 V HA -0.235 3.868 4.120 -0.028 0.000 0.247 420 V C 2.143 178.219 176.094 -0.031 0.000 1.051 420 V CA 1.547 63.812 62.300 -0.060 0.000 1.018 420 V CB -0.703 31.008 31.823 -0.186 0.000 0.641 420 V HN 0.290 nan 8.190 nan 0.000 0.445 421 W N -0.018 121.376 121.300 0.158 0.000 2.425 421 W HA -0.130 4.507 4.660 -0.038 0.000 0.277 421 W C 2.575 179.094 176.519 -0.000 0.000 1.231 421 W CA 1.272 58.701 57.345 0.140 0.000 1.248 421 W CB -0.607 28.975 29.460 0.204 0.000 1.117 421 W HN 0.144 nan 8.180 nan 0.000 0.568 422 T N -0.745 113.929 114.554 0.200 0.000 2.732 422 T HA -0.258 4.076 4.350 -0.028 0.000 0.261 422 T C 1.363 176.081 174.700 0.030 0.000 1.040 422 T CA 1.315 63.438 62.100 0.038 0.000 1.145 422 T CB -0.836 68.042 68.868 0.017 0.000 0.866 422 T HN 0.078 nan 8.240 nan 0.000 0.427 423 Y N 2.876 123.152 120.300 -0.040 0.000 2.151 423 Y HA -0.210 4.344 4.550 0.007 0.000 0.284 423 Y C 2.216 178.086 175.900 -0.050 0.000 1.166 423 Y CA 1.315 59.384 58.100 -0.051 0.000 1.163 423 Y CB -0.483 37.947 38.460 -0.050 0.000 0.974 423 Y HN 0.136 nan 8.280 nan 0.000 0.511 424 N N 0.011 118.726 118.700 0.025 0.000 2.142 424 N HA -0.132 4.592 4.740 -0.028 0.000 0.186 424 N C 1.977 177.440 175.510 -0.078 0.000 1.023 424 N CA 1.458 54.492 53.050 -0.026 0.000 0.852 424 N CB -0.807 37.717 38.487 0.060 0.000 0.998 424 N HN 0.474 nan 8.380 nan 0.000 0.424 425 A N 1.503 124.231 122.820 -0.153 0.000 1.930 425 A HA -0.092 4.211 4.320 -0.028 0.000 0.217 425 A C 2.036 179.438 177.584 -0.303 0.000 1.175 425 A CA 1.078 52.864 52.037 -0.418 0.000 0.627 425 A CB -0.217 18.124 19.000 -1.098 0.000 0.815 425 A HN 0.139 nan 8.150 nan 0.000 0.443 426 E N -0.265 119.780 120.200 -0.259 0.000 2.051 426 E HA -0.151 4.182 4.350 -0.028 0.000 0.192 426 E C 1.902 178.375 176.600 -0.212 0.000 0.991 426 E CA 0.959 57.229 56.400 -0.218 0.000 0.799 426 E CB -0.424 29.159 29.700 -0.194 0.000 0.748 426 E HN 0.447 nan 8.360 nan 0.000 0.449 427 L N 0.664 121.717 121.223 -0.283 0.000 2.109 427 L HA -0.104 4.220 4.340 -0.028 0.000 0.207 427 L C 2.437 179.220 176.870 -0.146 0.000 1.086 427 L CA 0.824 55.512 54.840 -0.253 0.000 0.760 427 L CB -0.981 40.848 42.059 -0.383 0.000 0.910 427 L HN 0.122 nan 8.230 nan 0.000 0.437 428 L N -1.100 120.056 121.223 -0.113 0.000 1.990 428 L HA -0.211 4.113 4.340 -0.028 0.000 0.213 428 L C 2.452 179.297 176.870 -0.041 0.000 1.072 428 L CA 1.707 56.520 54.840 -0.044 0.000 0.755 428 L CB -0.635 41.433 42.059 0.015 0.000 0.889 428 L HN 0.034 nan 8.230 nan 0.000 0.432 429 V N -0.311 119.567 119.914 -0.060 0.000 2.261 429 V HA -0.328 3.776 4.120 -0.028 0.000 0.246 429 V C 2.569 178.636 176.094 -0.045 0.000 1.047 429 V CA 2.151 64.424 62.300 -0.045 0.000 1.015 429 V CB -0.536 31.250 31.823 -0.062 0.000 0.642 429 V HN 0.475 nan 8.190 nan 0.000 0.446 430 L N -1.110 120.074 121.223 -0.066 0.000 1.990 430 L HA -0.295 4.028 4.340 -0.028 0.000 0.213 430 L C 2.575 179.419 176.870 -0.042 0.000 1.072 430 L CA 2.116 56.922 54.840 -0.056 0.000 0.755 430 L CB -0.625 41.389 42.059 -0.075 0.000 0.889 430 L HN 0.314 nan 8.230 nan 0.000 0.432 431 M N -1.004 118.567 119.600 -0.049 0.000 2.117 431 M HA -0.164 4.299 4.480 -0.028 0.000 0.262 431 M C 2.201 178.490 176.300 -0.019 0.000 1.065 431 M CA 1.453 56.733 55.300 -0.033 0.000 1.114 431 M CB -0.361 32.217 32.600 -0.037 0.000 1.361 431 M HN 0.163 nan 8.290 nan 0.000 0.408 432 E N 0.299 120.488 120.200 -0.019 0.000 2.208 432 E HA -0.082 4.251 4.350 -0.028 0.000 0.193 432 E C 1.560 178.156 176.600 -0.007 0.000 0.988 432 E CA 0.795 57.186 56.400 -0.016 0.000 0.828 432 E CB -0.433 29.258 29.700 -0.015 0.000 0.763 432 E HN 0.475 nan 8.360 nan 0.000 0.478 433 N N 1.373 120.072 118.700 -0.003 0.000 2.142 433 N HA -0.174 4.550 4.740 -0.028 0.000 0.186 433 N C 1.760 177.282 175.510 0.021 0.000 1.023 433 N CA 1.448 54.504 53.050 0.010 0.000 0.852 433 N CB -0.191 38.297 38.487 0.002 0.000 0.998 433 N HN 0.491 nan 8.380 nan 0.000 0.424 434 E N 0.627 120.835 120.200 0.013 0.000 2.152 434 E HA -0.058 4.276 4.350 -0.028 0.000 0.192 434 E C 1.606 178.235 176.600 0.050 0.000 0.983 434 E CA 0.600 57.015 56.400 0.025 0.000 0.818 434 E CB 0.012 29.719 29.700 0.011 0.000 0.758 434 E HN 0.103 nan 8.360 nan 0.000 0.467 435 R N 0.525 121.047 120.500 0.038 0.000 2.120 435 R HA -0.039 4.284 4.340 -0.028 0.000 0.234 435 R C 2.236 178.579 176.300 0.072 0.000 1.123 435 R CA 1.688 57.820 56.100 0.054 0.000 0.975 435 R CB -0.740 29.568 30.300 0.013 0.000 0.866 435 R HN 0.298 nan 8.270 nan 0.000 0.446 436 T N 2.033 116.614 114.554 0.046 0.000 2.737 436 T HA -0.027 4.306 4.350 -0.028 0.000 0.265 436 T C 2.072 176.874 174.700 0.169 0.000 1.038 436 T CA 0.948 63.085 62.100 0.061 0.000 1.144 436 T CB -0.140 68.763 68.868 0.059 0.000 0.866 436 T HN 0.117 nan 8.240 nan 0.000 0.434 437 L N 0.841 122.156 121.223 0.153 0.000 2.056 437 L HA -0.096 4.227 4.340 -0.028 0.000 0.207 437 L C 2.549 179.501 176.870 0.136 0.000 1.078 437 L CA 1.096 56.028 54.840 0.154 0.000 0.749 437 L CB -0.569 41.527 42.059 0.062 0.000 0.901 437 L HN 0.173 nan 8.230 nan 0.000 0.433 438 D N -0.136 120.354 120.400 0.151 0.000 2.123 438 D HA -0.228 4.395 4.640 -0.028 0.000 0.196 438 D C 1.940 178.320 176.300 0.133 0.000 0.992 438 D CA 1.260 55.406 54.000 0.242 0.000 0.833 438 D CB -0.136 40.845 40.800 0.301 0.000 0.954 438 D HN 0.197 nan 8.370 nan 0.000 0.455 439 F N 1.720 121.619 119.950 -0.085 0.000 2.095 439 F HA -0.239 4.275 4.527 -0.022 0.000 0.298 439 F C 2.460 178.078 175.800 -0.303 0.000 1.104 439 F CA 1.654 59.509 58.000 -0.242 0.000 1.232 439 F CB -0.308 38.536 39.000 -0.259 0.000 0.987 439 F HN 0.082 nan 8.300 nan 0.000 0.475 440 H N -0.810 118.158 119.070 -0.170 0.000 2.387 440 H HA -0.154 4.385 4.556 -0.029 0.000 0.299 440 H C 1.934 177.090 175.328 -0.287 0.000 1.090 440 H CA 1.632 57.551 56.048 -0.216 0.000 1.332 440 H CB -0.630 29.033 29.762 -0.165 0.000 1.386 440 H HN 0.325 nan 8.280 nan 0.000 0.516 441 D N 0.433 120.756 120.400 -0.129 0.000 2.092 441 D HA -0.152 4.471 4.640 -0.028 0.000 0.193 441 D C 2.447 178.524 176.300 -0.372 0.000 0.994 441 D CA 1.651 55.553 54.000 -0.163 0.000 0.828 441 D CB -0.243 40.607 40.800 0.084 0.000 0.963 441 D HN 0.195 nan 8.370 nan 0.000 0.450 442 S N -0.287 114.919 115.700 -0.823 0.000 2.387 442 S HA -0.202 4.251 4.470 -0.028 0.000 0.230 442 S C 1.789 175.978 174.600 -0.686 0.000 1.035 442 S CA 1.565 59.066 58.200 -1.165 0.000 1.014 442 S CB -0.393 61.876 63.200 -1.553 0.000 0.836 442 S HN 0.239 nan 8.310 nan 0.000 0.466 443 N N 0.957 119.209 118.700 -0.746 0.000 2.120 443 N HA -0.061 4.663 4.740 -0.028 0.000 0.188 443 N C 1.794 176.923 175.510 -0.634 0.000 1.024 443 N CA 1.534 54.103 53.050 -0.801 0.000 0.852 443 N CB -0.810 36.951 38.487 -1.210 0.000 1.003 443 N HN 0.351 nan 8.380 nan 0.000 0.424 444 V N 1.310 120.940 119.914 -0.473 0.000 2.323 444 V HA -0.159 3.945 4.120 -0.028 0.000 0.244 444 V C 2.389 178.432 176.094 -0.084 0.000 1.041 444 V CA 1.254 63.416 62.300 -0.230 0.000 1.025 444 V CB -0.455 31.282 31.823 -0.143 0.000 0.656 444 V HN 0.199 nan 8.190 nan 0.000 0.451 445 K N 1.479 121.826 120.400 -0.089 0.000 2.034 445 K HA -0.245 4.059 4.320 -0.028 0.000 0.214 445 K C 1.812 178.480 176.600 0.113 0.000 1.051 445 K CA 2.288 58.626 56.287 0.086 0.000 0.931 445 K CB -0.561 31.991 32.500 0.086 0.000 0.715 445 K HN 0.461 nan 8.250 nan 0.000 0.446 446 N N 0.218 118.889 118.700 -0.048 0.000 2.244 446 N HA -0.129 4.595 4.740 -0.028 0.000 0.183 446 N C 1.609 177.120 175.510 0.003 0.000 1.016 446 N CA 1.101 54.131 53.050 -0.034 0.000 0.866 446 N CB -0.338 38.069 38.487 -0.132 0.000 0.980 446 N HN 0.169 nan 8.380 nan 0.000 0.430 447 L N 0.317 121.518 121.223 -0.036 0.000 1.988 447 L HA -0.132 4.192 4.340 -0.028 0.000 0.207 447 L C 2.205 179.155 176.870 0.133 0.000 1.071 447 L CA 1.517 56.362 54.840 0.009 0.000 0.744 447 L CB -1.159 40.859 42.059 -0.069 0.000 0.893 447 L HN 0.116 nan 8.230 nan 0.000 0.433 448 Y N 0.606 120.962 120.300 0.093 0.000 2.069 448 Y HA -0.370 4.164 4.550 -0.028 0.000 0.278 448 Y C 2.372 178.419 175.900 0.245 0.000 1.175 448 Y CA 2.386 60.627 58.100 0.236 0.000 1.134 448 Y CB -0.410 38.234 38.460 0.307 0.000 0.965 448 Y HN 0.364 nan 8.280 nan 0.000 0.498 449 D N 0.072 120.682 120.400 0.349 0.000 2.123 449 D HA -0.214 4.410 4.640 -0.028 0.000 0.196 449 D C 2.104 178.443 176.300 0.064 0.000 0.992 449 D CA 1.622 55.743 54.000 0.202 0.000 0.833 449 D CB -0.370 40.544 40.800 0.189 0.000 0.954 449 D HN 0.405 nan 8.370 nan 0.000 0.455 450 K N 0.774 121.209 120.400 0.059 0.000 2.074 450 K HA -0.150 4.153 4.320 -0.028 0.000 0.209 450 K C 2.032 178.622 176.600 -0.017 0.000 1.048 450 K CA 1.052 57.357 56.287 0.030 0.000 0.926 450 K CB -0.005 32.526 32.500 0.051 0.000 0.713 450 K HN -0.063 nan 8.250 nan 0.000 0.444 451 V N 1.002 120.891 119.914 -0.043 0.000 2.358 451 V HA -0.212 3.891 4.120 -0.028 0.000 0.246 451 V C 2.514 178.326 176.094 -0.469 0.000 1.047 451 V CA 2.035 64.215 62.300 -0.200 0.000 1.035 451 V CB -0.590 31.157 31.823 -0.126 0.000 0.658 451 V HN 0.408 nan 8.190 nan 0.000 0.452 452 R N -0.076 120.174 120.500 -0.417 0.000 2.083 452 R HA -0.173 4.150 4.340 -0.028 0.000 0.237 452 R C 2.244 178.422 176.300 -0.203 0.000 1.137 452 R CA 1.961 57.839 56.100 -0.371 0.000 0.951 452 R CB -0.265 30.024 30.300 -0.018 0.000 0.851 452 R HN 0.406 nan 8.270 nan 0.000 0.434 453 M N 0.185 119.728 119.600 -0.096 0.000 2.549 453 M HA -0.141 4.322 4.480 -0.028 0.000 0.260 453 M C 1.860 178.145 176.300 -0.025 0.000 1.076 453 M CA 1.358 56.638 55.300 -0.033 0.000 1.090 453 M CB 0.088 32.690 32.600 0.003 0.000 1.418 453 M HN 0.310 nan 8.290 nan 0.000 0.486 454 Q N 0.166 119.930 119.800 -0.060 0.000 2.159 454 Q HA 0.051 4.374 4.340 -0.028 0.000 0.194 454 Q C 2.098 178.141 176.000 0.071 0.000 0.968 454 Q CA 0.808 56.633 55.803 0.037 0.000 0.837 454 Q CB -0.016 28.755 28.738 0.055 0.000 0.920 454 Q HN 0.464 nan 8.270 nan 0.000 0.485 455 L N 0.477 121.598 121.223 -0.170 0.000 2.129 455 L HA -0.226 4.098 4.340 -0.028 0.000 0.212 455 L C 1.519 178.395 176.870 0.011 0.000 1.087 455 L CA 0.945 55.679 54.840 -0.177 0.000 0.757 455 L CB -0.543 41.144 42.059 -0.620 0.000 0.896 455 L HN 0.317 nan 8.230 nan 0.000 0.434 456 R N -0.400 120.081 120.500 -0.032 0.000 3.830 456 R HA -0.341 3.982 4.340 -0.028 0.000 0.431 456 R C 1.411 177.751 176.300 0.067 0.000 0.243 456 R CA 2.215 58.333 56.100 0.030 0.000 1.371 456 R CB -1.351 28.987 30.300 0.063 0.000 0.946 456 R HN 0.252 nan 8.270 nan 0.000 0.585 457 D N 0.200 120.666 120.400 0.110 0.000 2.234 457 D HA 0.019 4.642 4.640 -0.028 0.000 0.205 457 D C 1.207 177.666 176.300 0.265 0.000 0.962 457 D CA 1.050 55.142 54.000 0.155 0.000 0.855 457 D CB -0.385 40.483 40.800 0.114 0.000 0.951 457 D HN 0.390 nan 8.370 nan 0.000 0.500 458 N N -0.062 118.798 118.700 0.266 0.000 2.609 458 N HA -0.037 4.687 4.740 -0.028 0.000 0.190 458 N C 0.165 175.824 175.510 0.249 0.000 1.157 458 N CA 0.008 53.303 53.050 0.407 0.000 0.918 458 N CB 0.593 39.415 38.487 0.558 0.000 0.978 458 N HN 0.070 nan 8.380 nan 0.000 0.448 459 V N -2.611 117.329 119.914 0.043 0.000 2.971 459 V HA 0.385 4.488 4.120 -0.028 0.000 0.309 459 V C -0.740 175.232 176.094 -0.204 0.000 1.130 459 V CA -1.357 60.771 62.300 -0.286 0.000 0.964 459 V CB 2.251 33.787 31.823 -0.478 0.000 1.029 459 V HN -0.123 nan 8.190 nan 0.000 0.427 460 K N 2.050 122.208 120.400 -0.403 0.000 2.234 460 K HA 0.370 4.673 4.320 -0.028 0.000 0.282 460 K C -0.164 176.403 176.600 -0.056 0.000 1.039 460 K CA -0.271 55.904 56.287 -0.188 0.000 0.928 460 K CB 1.177 33.519 32.500 -0.263 0.000 1.039 460 K HN 0.976 nan 8.250 nan 0.000 0.470 461 E N 5.681 125.888 120.200 0.012 0.000 1.936 461 E HA 0.060 4.393 4.350 -0.028 0.000 0.267 461 E C 0.711 177.271 176.600 -0.067 0.000 1.076 461 E CA -0.185 56.197 56.400 -0.029 0.000 0.870 461 E CB 0.294 30.020 29.700 0.044 0.000 1.093 461 E HN 0.668 nan 8.360 nan 0.000 0.411 462 L N 2.880 124.046 121.223 -0.096 0.000 2.131 462 L HA -0.023 4.300 4.340 -0.028 0.000 0.210 462 L C 1.670 178.517 176.870 -0.038 0.000 1.092 462 L CA 0.959 55.768 54.840 -0.052 0.000 0.759 462 L CB -0.369 41.668 42.059 -0.037 0.000 0.903 462 L HN 0.850 nan 8.230 nan 0.000 0.435 463 G N 0.294 109.062 108.800 -0.054 0.000 2.195 463 G HA2 -0.264 3.680 3.960 -0.028 0.000 0.224 463 G HA3 -0.264 3.680 3.960 -0.028 0.000 0.224 463 G C 0.429 175.360 174.900 0.051 0.000 0.990 463 G CA 0.355 45.429 45.100 -0.043 0.000 0.639 463 G HN 0.526 nan 8.290 nan 0.000 0.514 464 N N 0.616 119.358 118.700 0.070 0.000 2.251 464 N HA 0.441 5.165 4.740 -0.028 0.000 0.217 464 N C 1.522 177.122 175.510 0.150 0.000 1.124 464 N CA 0.574 53.689 53.050 0.109 0.000 0.843 464 N CB 0.187 38.717 38.487 0.071 0.000 1.024 464 N HN 1.614 nan 8.380 nan 0.000 0.501 465 G N -0.996 107.934 108.800 0.215 0.000 2.157 465 G HA2 -0.254 3.689 3.960 -0.028 0.000 0.239 465 G HA3 -0.254 3.689 3.960 -0.028 0.000 0.239 465 G C -0.254 174.777 174.900 0.219 0.000 0.982 465 G CA 0.114 45.411 45.100 0.329 0.000 0.650 465 G HN 0.471 nan 8.290 nan 0.000 0.527 466 C N 0.305 119.615 119.300 0.017 0.000 2.376 466 C HA 0.784 5.228 4.460 -0.028 0.000 0.335 466 C C -0.018 174.793 174.990 -0.298 0.000 1.229 466 C CA -0.743 58.253 59.018 -0.036 0.000 1.867 466 C CB 0.302 28.080 27.740 0.063 0.000 2.319 466 C HN 0.308 nan 8.230 nan 0.000 0.515 467 F N 1.643 121.604 119.950 0.017 0.000 2.402 467 F HA 0.378 4.888 4.527 -0.028 0.000 0.355 467 F C 0.401 176.065 175.800 -0.227 0.000 1.123 467 F CA -0.375 57.524 58.000 -0.169 0.000 1.021 467 F CB 0.804 39.600 39.000 -0.340 0.000 1.160 467 F HN 0.559 nan 8.300 nan 0.000 0.451 468 E N 3.491 123.641 120.200 -0.083 0.000 2.194 468 E HA 0.299 4.633 4.350 -0.028 0.000 0.284 468 E C -1.080 175.347 176.600 -0.289 0.000 1.035 468 E CA -0.570 55.764 56.400 -0.111 0.000 0.836 468 E CB 0.685 30.318 29.700 -0.112 0.000 1.070 468 E HN 0.369 nan 8.360 nan 0.000 0.401 469 F N 3.709 123.547 119.950 -0.186 0.000 2.456 469 F HA 0.099 4.609 4.527 -0.028 0.000 0.358 469 F C 0.793 176.447 175.800 -0.242 0.000 1.095 469 F CA 0.097 57.939 58.000 -0.264 0.000 1.216 469 F CB 0.407 39.183 39.000 -0.374 0.000 1.125 469 F HN 0.677 nan 8.300 nan 0.000 0.549 470 Y N 0.840 121.212 120.300 0.119 0.000 2.130 470 Y HA -0.157 4.377 4.550 -0.027 0.000 0.287 470 Y C 1.574 177.570 175.900 0.158 0.000 1.124 470 Y CA 1.074 59.254 58.100 0.134 0.000 1.118 470 Y CB -0.435 38.111 38.460 0.143 0.000 0.994 470 Y HN 0.627 nan 8.280 nan 0.000 0.497 471 H N -0.126 119.165 119.070 0.368 0.000 2.598 471 H HA 0.302 4.841 4.556 -0.028 0.000 0.371 471 H C -0.570 174.865 175.328 0.178 0.000 1.468 471 H CA -0.933 55.261 56.048 0.244 0.000 1.454 471 H CB 0.325 30.221 29.762 0.223 0.000 1.579 471 H HN -0.106 nan 8.280 nan 0.000 0.611 472 K N 0.003 120.518 120.400 0.191 0.000 2.156 472 K HA 0.401 4.705 4.320 -0.028 0.000 0.271 472 K C -1.398 175.224 176.600 0.037 0.000 0.995 472 K CA -0.784 55.522 56.287 0.032 0.000 0.890 472 K CB 1.403 33.934 32.500 0.053 0.000 1.073 472 K HN 0.578 nan 8.250 nan 0.000 0.454 473 c N 4.739 123.206 118.600 -0.222 0.000 2.653 473 c HA 0.216 4.769 4.570 -0.028 0.000 0.291 473 c C -0.439 173.521 174.090 -0.218 0.000 1.064 473 c CA -0.899 55.251 56.329 -0.300 0.000 1.469 473 c CB -1.316 40.592 42.510 -1.004 0.000 1.861 473 c HN 0.929 nan 8.230 nan 0.000 0.434 474 D N 2.357 122.696 120.400 -0.102 0.000 2.398 474 D HA 0.146 4.770 4.640 -0.028 0.000 0.264 474 D C 0.908 177.143 176.300 -0.107 0.000 1.263 474 D CA -0.187 53.763 54.000 -0.083 0.000 1.037 474 D CB 0.553 41.325 40.800 -0.047 0.000 1.101 474 D HN 0.329 nan 8.370 nan 0.000 0.551 475 D N -0.872 119.472 120.400 -0.093 0.000 2.133 475 D HA -0.155 4.468 4.640 -0.028 0.000 0.195 475 D C 1.790 178.016 176.300 -0.122 0.000 0.997 475 D CA 1.118 55.040 54.000 -0.129 0.000 0.840 475 D CB -0.064 40.681 40.800 -0.092 0.000 0.947 475 D HN 0.367 nan 8.370 nan 0.000 0.452 476 E N -0.033 120.121 120.200 -0.078 0.000 2.038 476 E HA -0.163 4.170 4.350 -0.028 0.000 0.195 476 E C 2.377 178.948 176.600 -0.049 0.000 1.000 476 E CA 0.810 57.175 56.400 -0.057 0.000 0.803 476 E CB -0.758 28.920 29.700 -0.037 0.000 0.750 476 E HN 0.390 nan 8.360 nan 0.000 0.448 477 c N 0.698 119.276 118.600 -0.037 0.000 2.446 477 c HA -0.018 4.535 4.570 -0.028 0.000 0.279 477 c C 2.548 176.614 174.090 -0.041 0.000 1.366 477 c CA 0.165 56.504 56.329 0.017 0.000 1.763 477 c CB -0.739 41.818 42.510 0.079 0.000 1.929 477 c HN 0.266 nan 8.230 nan 0.000 0.509 478 M N 2.206 121.716 119.600 -0.151 0.000 2.065 478 M HA -0.107 4.357 4.480 -0.028 0.000 0.259 478 M C 1.835 178.014 176.300 -0.202 0.000 1.069 478 M CA 1.809 56.977 55.300 -0.220 0.000 1.110 478 M CB -1.745 30.636 32.600 -0.364 0.000 1.328 478 M HN 0.486 nan 8.290 nan 0.000 0.405 479 N N 0.499 119.093 118.700 -0.177 0.000 2.149 479 N HA -0.126 4.597 4.740 -0.028 0.000 0.188 479 N C 1.778 177.235 175.510 -0.088 0.000 1.019 479 N CA 1.813 54.775 53.050 -0.146 0.000 0.857 479 N CB -0.712 37.710 38.487 -0.108 0.000 0.997 479 N HN 0.499 nan 8.380 nan 0.000 0.426 480 S N -0.078 115.606 115.700 -0.028 0.000 2.419 480 S HA -0.068 4.385 4.470 -0.028 0.000 0.233 480 S C 1.994 176.631 174.600 0.062 0.000 1.016 480 S CA 0.969 59.197 58.200 0.046 0.000 0.974 480 S CB -0.493 62.782 63.200 0.124 0.000 0.786 480 S HN 0.060 nan 8.310 nan 0.000 0.492 481 V N 2.013 121.919 119.914 -0.014 0.000 2.302 481 V HA -0.026 4.078 4.120 -0.028 0.000 0.243 481 V C 2.585 178.602 176.094 -0.129 0.000 1.036 481 V CA 1.831 64.080 62.300 -0.084 0.000 1.020 481 V CB -0.587 31.154 31.823 -0.137 0.000 0.657 481 V HN 0.483 nan 8.190 nan 0.000 0.453 482 K N 0.261 120.492 120.400 -0.282 0.000 2.280 482 K HA -0.143 4.160 4.320 -0.028 0.000 0.202 482 K C 1.889 178.416 176.600 -0.122 0.000 1.047 482 K CA 1.145 57.169 56.287 -0.437 0.000 0.942 482 K CB -0.209 31.876 32.500 -0.691 0.000 0.739 482 K HN 0.340 nan 8.250 nan 0.000 0.457 483 N N -0.498 118.161 118.700 -0.068 0.000 2.207 483 N HA -0.061 4.662 4.740 -0.028 0.000 0.182 483 N C 1.363 176.889 175.510 0.027 0.000 1.020 483 N CA 1.527 54.572 53.050 -0.008 0.000 0.858 483 N CB 0.654 39.136 38.487 -0.008 0.000 0.991 483 N HN 0.382 nan 8.380 nan 0.000 0.427 484 G N -1.512 107.309 108.800 0.036 0.000 2.428 484 G HA2 -0.248 3.696 3.960 -0.028 0.000 0.199 484 G HA3 -0.248 3.696 3.960 -0.028 0.000 0.199 484 G C 1.066 176.004 174.900 0.063 0.000 1.005 484 G CA 0.601 45.731 45.100 0.050 0.000 0.671 484 G HN 0.344 nan 8.290 nan 0.000 0.485 485 T N 0.028 114.618 114.554 0.061 0.000 2.458 485 T HA 0.146 4.479 4.350 -0.028 0.000 0.220 485 T C 0.830 175.605 174.700 0.125 0.000 1.428 485 T CA 1.533 63.673 62.100 0.066 0.000 1.487 485 T CB -0.471 68.426 68.868 0.048 0.000 0.919 485 T HN 1.427 nan 8.240 nan 0.000 0.379 486 Y N 2.354 122.647 120.300 -0.011 0.000 2.520 486 Y HA -0.186 4.348 4.550 -0.027 0.000 0.058 486 Y C -0.120 175.775 175.900 -0.008 0.000 1.712 486 Y CA 0.651 58.751 58.100 -0.000 0.000 1.409 486 Y CB -0.273 38.200 38.460 0.022 0.000 2.055 486 Y HN 0.819 nan 8.280 nan 0.000 0.256 487 D N 0.000 119.887 120.400 -0.855 0.000 6.856 487 D HA 0.000 4.623 4.640 -0.028 0.000 0.175 487 D CA 0.000 53.595 54.000 -0.674 0.000 0.868 487 D CB 0.000 40.629 40.800 -0.286 0.000 0.688 487 D HN 0.000 nan 8.370 nan 0.000 0.683