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 3fcp_1_E DATA FIRST_RESID 4 DATA SEQUENCE TATVEQIESW IVDVPTIXXX XXXXXXXXCQ SLVIVRLTRS DGICGIGEAT DATA SEQUENCE TIGGLSYGVE SPEAISSAIT HYLTPLLKGQ PADNLNALTA RMNGAIKGNT DATA SEQUENCE FAKSAIETAL LDAQGKALGL PVSALLGGAL QTALPVLWTL ASGDTAKDIA DATA SEQUENCE EGEKLLAXXX XRAFKLKIGA RELATDLRHT RAIVEALGDR ASIRVDVNQA DATA SEQUENCE WDAATGAKGC RELAAMGVDL IEQPVSAHDN AALVRLSQQI ETAILADEAV DATA SEQUENCE ATAYDGYQLA QQGFTGAYAL KIAKAGGPNS VLALARVAQA AGIGLYGGTM DATA SEQUENCE LEGTVGTVAS LHAWSTLPLQ WGTEMFGPLL LKDDIVSVPL TFADGQVALP DATA SEQUENCE QTPGLGVELD EDKLHFYTRQ 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.698 174.700 -0.004 0.000 1.109 4 T CA 0.000 62.098 62.100 -0.004 0.000 1.349 4 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 5 A N 1.520 124.338 122.820 -0.004 0.000 1.959 5 A HA 0.483 4.804 4.320 0.000 0.000 0.453 5 A C -0.189 177.393 177.584 -0.004 0.000 0.450 5 A CA -0.107 51.928 52.037 -0.004 0.000 0.404 5 A CB -1.119 17.879 19.000 -0.005 0.000 2.455 5 A HN 2.057 nan 8.150 nan 0.000 0.417 6 T N -1.174 113.377 114.554 -0.004 0.000 2.926 6 T HA 0.798 5.148 4.350 0.000 0.000 0.289 6 T C -0.038 174.659 174.700 -0.005 0.000 1.054 6 T CA -0.172 61.926 62.100 -0.004 0.000 1.015 6 T CB 1.465 70.331 68.868 -0.004 0.000 1.167 6 T HN 2.238 nan 8.240 nan 0.000 0.526 7 V N 2.187 122.098 119.914 -0.006 0.000 2.408 7 V HA 0.339 4.459 4.120 0.000 0.000 0.267 7 V C 0.981 177.069 176.094 -0.010 0.000 1.047 7 V CA 0.075 62.370 62.300 -0.008 0.000 0.937 7 V CB -0.036 31.781 31.823 -0.010 0.000 0.999 7 V HN 1.084 nan 8.190 nan 0.000 0.472 8 E N 4.224 124.418 120.200 -0.009 0.000 2.389 8 E HA 0.195 4.546 4.350 0.000 0.000 0.199 8 E C 0.632 177.222 176.600 -0.016 0.000 0.978 8 E CA -0.126 56.268 56.400 -0.011 0.000 0.912 8 E CB 0.425 30.121 29.700 -0.006 0.000 0.907 8 E HN 0.718 nan 8.360 nan 0.000 0.494 9 Q N 0.565 120.354 119.800 -0.018 0.000 2.391 9 Q HA 0.500 4.840 4.340 0.000 0.000 0.279 9 Q C -1.866 174.110 176.000 -0.040 0.000 1.028 9 Q CA -0.714 55.071 55.803 -0.029 0.000 0.836 9 Q CB 1.965 30.691 28.738 -0.020 0.000 1.414 9 Q HN 0.221 nan 8.270 nan 0.000 0.397 10 I N 2.700 123.228 120.570 -0.070 0.000 2.512 10 I HA 0.376 4.546 4.170 0.000 0.000 0.287 10 I C -0.970 175.042 176.117 -0.174 0.000 1.069 10 I CA -0.511 60.731 61.300 -0.096 0.000 1.056 10 I CB 2.198 40.149 38.000 -0.082 0.000 1.229 10 I HN 0.618 nan 8.210 nan 0.000 0.429 11 E N 4.275 124.323 120.200 -0.254 0.000 2.227 11 E HA 0.698 5.048 4.350 0.000 0.000 0.268 11 E C -1.003 175.157 176.600 -0.732 0.000 0.907 11 E CA -0.758 55.323 56.400 -0.532 0.000 0.786 11 E CB 2.474 31.800 29.700 -0.622 0.000 1.191 11 E HN 0.616 nan 8.360 nan 0.000 0.411 12 S N 1.180 116.322 115.700 -0.930 0.000 2.556 12 S HA 0.652 5.122 4.470 0.000 0.000 0.271 12 S C -1.413 172.751 174.600 -0.727 0.000 1.135 12 S CA -1.000 56.817 58.200 -0.639 0.000 0.858 12 S CB 1.331 64.377 63.200 -0.257 0.000 1.114 12 S HN 0.528 nan 8.310 nan 0.000 0.468 13 W N 0.963 122.280 121.300 0.028 0.000 3.127 13 W HA 0.484 5.144 4.660 -0.000 0.000 0.330 13 W C -1.232 175.311 176.519 0.039 0.000 1.187 13 W CA -1.034 56.333 57.345 0.036 0.000 1.198 13 W CB 1.714 31.197 29.460 0.038 0.000 1.408 13 W HN 0.589 nan 8.180 nan 0.000 0.529 14 I N 2.973 123.698 120.570 0.260 0.000 2.304 14 I HA 0.245 4.415 4.170 0.000 0.000 0.291 14 I C -0.183 176.035 176.117 0.169 0.000 1.018 14 I CA -0.673 60.729 61.300 0.170 0.000 1.260 14 I CB 1.022 39.092 38.000 0.117 0.000 1.390 14 I HN -0.119 nan 8.210 nan 0.000 0.475 15 V N 5.565 125.564 119.914 0.142 0.000 2.417 15 V HA 0.310 4.430 4.120 0.000 0.000 0.291 15 V C -0.494 175.642 176.094 0.070 0.000 1.024 15 V CA -0.751 61.618 62.300 0.115 0.000 0.861 15 V CB 1.903 33.788 31.823 0.104 0.000 0.985 15 V HN 0.562 nan 8.190 nan 0.000 0.436 16 D N 4.042 124.483 120.400 0.068 0.000 2.454 16 D HA 0.386 5.027 4.640 0.000 0.000 0.225 16 D C -0.138 176.142 176.300 -0.032 0.000 1.081 16 D CA 0.002 54.019 54.000 0.028 0.000 0.864 16 D CB 2.041 42.864 40.800 0.039 0.000 1.040 16 D HN 0.460 nan 8.370 nan 0.000 0.517 17 V N 0.474 120.304 119.914 -0.138 0.000 2.612 17 V HA 0.642 4.762 4.120 0.000 0.000 0.301 17 V C -2.482 173.503 176.094 -0.181 0.000 1.046 17 V CA -2.252 59.836 62.300 -0.355 0.000 0.946 17 V CB 1.716 33.302 31.823 -0.394 0.000 1.003 17 V HN 0.212 nan 8.190 nan 0.000 0.459 18 P HA 0.233 nan 4.420 nan 0.000 0.276 18 P C -0.073 177.210 177.300 -0.027 0.000 1.230 18 P CA 0.337 63.416 63.100 -0.036 0.000 0.776 18 P CB 0.900 32.620 31.700 0.032 0.000 0.888 19 T N 0.858 115.414 114.554 0.004 0.000 2.934 19 T HA 0.554 4.904 4.350 0.000 0.000 0.283 19 T C 1.121 175.841 174.700 0.032 0.000 1.005 19 T CA -0.988 61.123 62.100 0.019 0.000 1.041 19 T CB 0.568 69.452 68.868 0.026 0.000 1.042 19 T HN 0.417 nan 8.240 nan 0.000 0.505 33 Q N 1.555 121.357 119.800 0.003 0.000 2.316 33 Q HA 0.713 5.053 4.340 0.000 0.000 0.264 33 Q C -0.794 175.215 176.000 0.015 0.000 0.987 33 Q CA 0.178 55.989 55.803 0.015 0.000 0.852 33 Q CB 1.587 30.331 28.738 0.011 0.000 1.287 33 Q HN 0.747 nan 8.270 nan 0.000 0.448 34 S N 4.512 120.233 115.700 0.035 0.000 2.438 34 S HA 0.592 5.062 4.470 0.000 0.000 0.293 34 S C -0.643 173.992 174.600 0.059 0.000 1.141 34 S CA -0.621 57.605 58.200 0.044 0.000 1.080 34 S CB 0.157 63.387 63.200 0.049 0.000 0.978 34 S HN 0.581 nan 8.310 nan 0.000 0.479 35 L N 2.755 124.015 121.223 0.062 0.000 2.334 35 L HA 0.658 4.998 4.340 0.000 0.000 0.276 35 L C -0.709 176.224 176.870 0.105 0.000 1.014 35 L CA -1.138 53.749 54.840 0.078 0.000 0.815 35 L CB 1.490 43.586 42.059 0.061 0.000 1.268 35 L HN 0.254 nan 8.230 nan 0.000 0.428 36 V N 4.262 124.245 119.914 0.114 0.000 2.311 36 V HA 0.352 4.473 4.120 0.000 0.000 0.275 36 V C 0.197 176.374 176.094 0.138 0.000 1.022 36 V CA -0.338 62.038 62.300 0.127 0.000 0.830 36 V CB 1.314 33.203 31.823 0.110 0.000 1.012 36 V HN 0.416 nan 8.190 nan 0.000 0.452 37 I N 5.348 126.039 120.570 0.202 0.000 2.428 37 I HA 0.503 4.673 4.170 0.000 0.000 0.296 37 I C -0.008 176.268 176.117 0.266 0.000 0.985 37 I CA -0.371 61.077 61.300 0.246 0.000 1.260 37 I CB 1.747 39.931 38.000 0.306 0.000 1.389 37 I HN 0.362 nan 8.210 nan 0.000 0.484 38 V N 7.435 127.462 119.914 0.188 0.000 2.735 38 V HA 0.603 4.723 4.120 0.000 0.000 0.310 38 V C -0.663 175.520 176.094 0.147 0.000 1.061 38 V CA -0.701 61.651 62.300 0.087 0.000 0.913 38 V CB 2.517 34.353 31.823 0.022 0.000 1.005 38 V HN 0.888 nan 8.190 nan 0.000 0.428 39 R N 5.615 126.173 120.500 0.095 0.000 2.476 39 R HA 0.595 4.935 4.340 0.000 0.000 0.305 39 R C -2.071 174.250 176.300 0.035 0.000 0.965 39 R CA -0.634 55.551 56.100 0.142 0.000 0.867 39 R CB 1.745 32.237 30.300 0.319 0.000 1.176 39 R HN 0.822 nan 8.270 nan 0.000 0.447 40 L N 3.762 125.003 121.223 0.030 0.000 2.313 40 L HA 0.527 4.867 4.340 0.000 0.000 0.283 40 L C -1.099 175.780 176.870 0.014 0.000 1.013 40 L CA -0.254 54.589 54.840 0.005 0.000 0.816 40 L CB 2.219 44.276 42.059 -0.003 0.000 1.236 40 L HN 0.635 nan 8.230 nan 0.000 0.419 41 T N 4.541 119.100 114.554 0.009 0.000 2.779 41 T HA 0.517 4.867 4.350 0.000 0.000 0.280 41 T C -0.274 174.428 174.700 0.003 0.000 0.987 41 T CA -0.663 61.444 62.100 0.012 0.000 0.966 41 T CB 1.023 69.902 68.868 0.019 0.000 0.933 41 T HN 0.566 nan 8.240 nan 0.000 0.442 42 R N 1.378 121.880 120.500 0.003 0.000 2.549 42 R HA 0.414 4.755 4.340 0.000 0.000 0.267 42 R C 1.521 177.821 176.300 0.001 0.000 1.045 42 R CA -0.645 55.455 56.100 -0.001 0.000 1.115 42 R CB 0.387 30.686 30.300 -0.003 0.000 1.121 42 R HN 0.731 nan 8.270 nan 0.000 0.543 43 S N 0.012 115.711 115.700 -0.001 0.000 2.440 43 S HA -0.167 4.304 4.470 0.000 0.000 0.238 43 S C 0.958 175.558 174.600 0.001 0.000 1.010 43 S CA 1.427 59.627 58.200 -0.000 0.000 0.972 43 S CB -0.386 62.812 63.200 -0.002 0.000 0.774 43 S HN 0.780 nan 8.310 nan 0.000 0.501 44 D N 0.306 120.706 120.400 0.000 0.000 2.325 44 D HA 0.307 4.947 4.640 0.000 0.000 0.234 44 D C 1.369 177.670 176.300 0.002 0.000 1.122 44 D CA 0.407 54.407 54.000 0.000 0.000 0.850 44 D CB -0.643 40.157 40.800 -0.001 0.000 0.921 44 D HN 0.505 nan 8.370 nan 0.000 0.513 45 G N 0.212 109.014 108.800 0.004 0.000 2.234 45 G HA2 -0.302 3.658 3.960 0.000 0.000 0.260 45 G HA3 -0.302 3.658 3.960 0.000 0.000 0.260 45 G C 0.264 175.169 174.900 0.009 0.000 0.987 45 G CA 0.222 45.326 45.100 0.008 0.000 0.625 45 G HN 0.465 nan 8.290 nan 0.000 0.532 46 I N 1.919 122.492 120.570 0.005 0.000 2.474 46 I HA 0.417 4.587 4.170 0.000 0.000 0.287 46 I C 1.397 177.518 176.117 0.008 0.000 1.048 46 I CA -0.283 61.020 61.300 0.004 0.000 1.383 46 I CB 0.826 38.825 38.000 -0.002 0.000 1.412 46 I HN 0.477 nan 8.210 nan 0.000 0.531 47 C N 3.288 122.596 119.300 0.012 0.000 2.667 47 C HA 1.007 5.468 4.460 0.000 0.000 0.323 47 C C 0.125 175.124 174.990 0.015 0.000 1.214 47 C CA -0.477 58.553 59.018 0.020 0.000 1.721 47 C CB 0.795 28.557 27.740 0.037 0.000 2.275 47 C HN 0.926 nan 8.230 nan 0.000 0.491 48 G N 0.911 109.722 108.800 0.019 0.000 2.659 48 G HA2 0.748 4.709 3.960 0.000 0.000 0.296 48 G HA3 0.748 4.709 3.960 0.000 0.000 0.296 48 G C -1.155 173.764 174.900 0.031 0.000 1.369 48 G CA -0.792 44.315 45.100 0.012 0.000 0.937 48 G HN 1.388 nan 8.290 nan 0.000 0.485 49 I N -0.952 119.636 120.570 0.030 0.000 2.797 49 I HA 1.002 5.172 4.170 0.000 0.000 0.307 49 I C 0.170 176.306 176.117 0.033 0.000 1.033 49 I CA -1.252 60.080 61.300 0.054 0.000 1.071 49 I CB 2.540 40.580 38.000 0.067 0.000 1.255 49 I HN 0.756 nan 8.210 nan 0.000 0.445 50 G N 2.130 110.959 108.800 0.049 0.000 2.690 50 G HA2 0.561 4.521 3.960 0.000 0.000 0.291 50 G HA3 0.561 4.521 3.960 0.000 0.000 0.291 50 G C -2.184 172.744 174.900 0.047 0.000 1.403 50 G CA -0.526 44.590 45.100 0.027 0.000 0.864 50 G HN 0.861 nan 8.290 nan 0.000 0.480 51 E N -0.588 119.628 120.200 0.027 0.000 2.292 51 E HA 0.629 4.980 4.350 0.000 0.000 0.272 51 E C -1.156 175.464 176.600 0.033 0.000 0.881 51 E CA -1.066 55.359 56.400 0.042 0.000 0.754 51 E CB 2.128 31.848 29.700 0.033 0.000 1.201 51 E HN 0.800 nan 8.360 nan 0.000 0.425 52 A N 3.209 126.074 122.820 0.074 0.000 2.410 52 A HA 0.582 4.902 4.320 0.000 0.000 0.289 52 A C -0.912 176.773 177.584 0.169 0.000 1.200 52 A CA -0.448 51.659 52.037 0.115 0.000 0.751 52 A CB 1.565 20.661 19.000 0.160 0.000 1.161 52 A HN 0.459 nan 8.150 nan 0.000 0.459 53 T N 1.138 115.799 114.554 0.178 0.000 2.893 53 T HA 0.777 5.127 4.350 0.000 0.000 0.291 53 T C -0.057 174.819 174.700 0.292 0.000 1.028 53 T CA -0.319 61.890 62.100 0.182 0.000 0.995 53 T CB 1.918 70.845 68.868 0.099 0.000 1.051 53 T HN 0.747 nan 8.240 nan 0.000 0.470 54 T N 0.880 115.570 114.554 0.227 0.000 2.669 54 T HA 0.820 5.170 4.350 0.000 0.000 0.283 54 T C -1.521 173.260 174.700 0.135 0.000 1.019 54 T CA -0.648 61.592 62.100 0.234 0.000 1.039 54 T CB 0.798 69.721 68.868 0.092 0.000 1.374 54 T HN 0.483 nan 8.240 nan 0.000 0.523 55 I N 0.595 121.248 120.570 0.138 0.000 2.608 55 I HA 0.540 4.710 4.170 0.000 0.000 0.295 55 I C 0.940 177.226 176.117 0.282 0.000 1.049 55 I CA -0.631 60.753 61.300 0.140 0.000 1.063 55 I CB 1.983 39.994 38.000 0.019 0.000 1.248 55 I HN 0.962 nan 8.210 nan 0.000 0.424 56 G N 4.077 113.020 108.800 0.238 0.000 2.323 56 G HA2 -0.068 3.892 3.960 0.000 0.000 0.292 56 G HA3 -0.068 3.892 3.960 0.000 0.000 0.292 56 G C 0.911 175.851 174.900 0.067 0.000 1.040 56 G CA 0.753 45.979 45.100 0.210 0.000 0.942 56 G HN 1.546 nan 8.290 nan 0.000 0.506 57 G N -0.543 108.285 108.800 0.047 0.000 2.793 57 G HA2 -0.357 3.603 3.960 0.000 0.000 0.334 57 G HA3 -0.357 3.603 3.960 0.000 0.000 0.334 57 G C 1.014 175.892 174.900 -0.037 0.000 1.186 57 G CA 1.013 46.112 45.100 -0.002 0.000 0.960 57 G HN 1.383 nan 8.290 nan 0.000 0.562 58 L N 2.069 123.251 121.223 -0.068 0.000 2.959 58 L HA 0.287 4.627 4.340 0.000 0.000 0.259 58 L C 2.503 179.285 176.870 -0.147 0.000 1.185 58 L CA 0.968 55.751 54.840 -0.095 0.000 0.998 58 L CB 0.720 42.730 42.059 -0.083 0.000 1.337 58 L HN 0.590 nan 8.230 nan 0.000 0.555 59 S N -1.350 114.212 115.700 -0.229 0.000 2.527 59 S HA -0.029 4.441 4.470 0.000 0.000 0.222 59 S C 1.272 175.457 174.600 -0.692 0.000 0.985 59 S CA 0.596 58.512 58.200 -0.472 0.000 0.921 59 S CB -0.106 62.716 63.200 -0.630 0.000 0.772 59 S HN 0.439 nan 8.310 nan 0.000 0.529 60 Y N 1.074 121.349 120.300 -0.042 0.000 2.452 60 Y HA 0.543 5.093 4.550 0.000 0.000 0.262 60 Y C 1.270 177.140 175.900 -0.050 0.000 1.089 60 Y CA -0.386 57.691 58.100 -0.038 0.000 1.262 60 Y CB 0.521 38.969 38.460 -0.019 0.000 1.236 60 Y HN 0.431 nan 8.280 nan 0.000 0.512 61 G N -0.539 108.274 108.800 0.021 0.000 2.672 61 G HA2 0.433 4.393 3.960 0.000 0.000 0.292 61 G HA3 0.433 4.393 3.960 0.000 0.000 0.292 61 G C 0.143 174.968 174.900 -0.125 0.000 1.375 61 G CA -0.134 44.929 45.100 -0.062 0.000 0.890 61 G HN -0.000 nan 8.290 nan 0.000 0.476 62 V N -2.524 117.307 119.914 -0.137 0.000 3.306 62 V HA 0.287 4.407 4.120 0.000 0.000 0.264 62 V C 0.466 176.460 176.094 -0.168 0.000 1.149 62 V CA 0.811 63.038 62.300 -0.122 0.000 1.143 62 V CB -0.699 31.076 31.823 -0.080 0.000 0.767 62 V HN 0.527 nan 8.190 nan 0.000 0.476 63 E N 2.223 122.245 120.200 -0.297 0.000 2.113 63 E HA 0.495 4.845 4.350 0.000 0.000 0.273 63 E C -0.081 176.338 176.600 -0.303 0.000 0.924 63 E CA -0.023 56.176 56.400 -0.335 0.000 0.764 63 E CB 1.532 30.907 29.700 -0.542 0.000 1.104 63 E HN 0.682 nan 8.360 nan 0.000 0.406 64 S N 2.256 117.862 115.700 -0.158 0.000 2.687 64 S HA 0.348 4.819 4.470 0.000 0.000 0.283 64 S C -1.998 172.572 174.600 -0.049 0.000 1.170 64 S CA -1.433 56.711 58.200 -0.093 0.000 1.008 64 S CB 1.742 64.909 63.200 -0.055 0.000 1.026 64 S HN 0.118 nan 8.310 nan 0.000 0.541 65 P HA -0.161 nan 4.420 nan 0.000 0.216 65 P C 1.433 178.754 177.300 0.035 0.000 1.153 65 P CA 1.350 64.468 63.100 0.031 0.000 0.858 65 P CB -0.004 31.722 31.700 0.043 0.000 0.789 66 E N -0.329 119.886 120.200 0.025 0.000 2.152 66 E HA -0.086 4.264 4.350 0.000 0.000 0.192 66 E C 1.910 178.532 176.600 0.037 0.000 0.983 66 E CA 1.418 57.839 56.400 0.034 0.000 0.818 66 E CB -1.200 28.516 29.700 0.026 0.000 0.758 66 E HN 0.181 nan 8.360 nan 0.000 0.467 67 A N 1.521 124.350 122.820 0.016 0.000 1.970 67 A HA 0.055 4.375 4.320 0.000 0.000 0.216 67 A C 2.335 179.942 177.584 0.039 0.000 1.170 67 A CA 0.506 52.553 52.037 0.018 0.000 0.645 67 A CB -0.500 18.489 19.000 -0.019 0.000 0.816 67 A HN 0.159 nan 8.150 nan 0.000 0.447 68 I N -0.806 119.783 120.570 0.032 0.000 2.202 68 I HA -0.205 3.966 4.170 0.000 0.000 0.242 68 I C 2.838 179.002 176.117 0.078 0.000 1.091 68 I CA 1.472 62.810 61.300 0.062 0.000 1.368 68 I CB -0.250 37.797 38.000 0.078 0.000 1.058 68 I HN 0.408 nan 8.210 nan 0.000 0.410 69 S N -0.026 115.717 115.700 0.070 0.000 2.359 69 S HA -0.250 4.220 4.470 0.000 0.000 0.224 69 S C 2.300 176.955 174.600 0.090 0.000 1.035 69 S CA 2.144 60.381 58.200 0.063 0.000 1.018 69 S CB -0.353 62.882 63.200 0.058 0.000 0.876 69 S HN 0.464 nan 8.310 nan 0.000 0.448 70 S N 0.743 116.524 115.700 0.136 0.000 2.359 70 S HA -0.071 4.399 4.470 0.000 0.000 0.224 70 S C 2.102 176.888 174.600 0.310 0.000 1.035 70 S CA 1.594 59.947 58.200 0.255 0.000 1.018 70 S CB -0.875 62.427 63.200 0.170 0.000 0.876 70 S HN 0.711 nan 8.310 nan 0.000 0.448 71 A N 1.330 124.286 122.820 0.227 0.000 1.908 71 A HA -0.016 4.304 4.320 0.000 0.000 0.218 71 A C 2.156 179.868 177.584 0.212 0.000 1.181 71 A CA 1.628 53.822 52.037 0.262 0.000 0.627 71 A CB -0.809 18.272 19.000 0.136 0.000 0.818 71 A HN 0.640 nan 8.150 nan 0.000 0.445 72 I N -0.686 119.952 120.570 0.114 0.000 2.142 72 I HA -0.223 3.948 4.170 0.000 0.000 0.240 72 I C 2.655 178.763 176.117 -0.015 0.000 1.078 72 I CA 1.823 63.149 61.300 0.043 0.000 1.343 72 I CB -0.721 37.282 38.000 0.004 0.000 1.046 72 I HN 0.269 nan 8.210 nan 0.000 0.405 73 T N -0.725 113.793 114.554 -0.060 0.000 2.701 73 T HA -0.193 4.157 4.350 0.000 0.000 0.263 73 T C 1.758 176.255 174.700 -0.337 0.000 1.040 73 T CA 1.694 63.654 62.100 -0.232 0.000 1.147 73 T CB -0.409 68.251 68.868 -0.348 0.000 0.865 73 T HN 0.410 nan 8.240 nan 0.000 0.426 74 H N -1.114 117.872 119.070 -0.140 0.000 2.525 74 H HA 0.209 4.765 4.556 0.000 0.000 0.275 74 H C 1.185 176.152 175.328 -0.601 0.000 0.984 74 H CA 0.774 56.597 56.048 -0.376 0.000 1.264 74 H CB 0.118 29.582 29.762 -0.497 0.000 1.432 74 H HN 0.407 nan 8.280 nan 0.000 0.549 75 Y N -1.260 119.087 120.300 0.080 0.000 2.769 75 Y HA 0.182 4.732 4.550 0.000 0.000 0.266 75 Y C 1.912 177.821 175.900 0.016 0.000 1.091 75 Y CA -0.092 58.035 58.100 0.045 0.000 1.272 75 Y CB -0.002 38.486 38.460 0.047 0.000 1.469 75 Y HN -0.058 nan 8.280 nan 0.000 0.475 76 L N -0.448 120.869 121.223 0.158 0.000 2.109 76 L HA -0.148 4.193 4.340 0.000 0.000 0.207 76 L C 2.080 178.965 176.870 0.024 0.000 1.086 76 L CA 1.591 56.479 54.840 0.081 0.000 0.760 76 L CB -0.619 41.479 42.059 0.065 0.000 0.910 76 L HN 0.261 nan 8.230 nan 0.000 0.437 77 T N 0.469 115.015 114.554 -0.013 0.000 2.643 77 T HA -0.085 4.265 4.350 0.000 0.000 0.264 77 T C -0.494 174.183 174.700 -0.038 0.000 1.045 77 T CA 1.592 63.664 62.100 -0.046 0.000 1.155 77 T CB -1.176 67.636 68.868 -0.093 0.000 0.863 77 T HN 0.281 nan 8.240 nan 0.000 0.420 78 P HA -0.027 nan 4.420 nan 0.000 0.220 78 P C 1.709 179.003 177.300 -0.008 0.000 1.148 78 P CA 0.738 63.816 63.100 -0.037 0.000 0.803 78 P CB -0.159 31.508 31.700 -0.055 0.000 0.782 79 L N -0.603 120.627 121.223 0.013 0.000 2.109 79 L HA -0.019 4.321 4.340 0.000 0.000 0.207 79 L C 2.133 179.013 176.870 0.016 0.000 1.086 79 L CA 1.576 56.433 54.840 0.028 0.000 0.760 79 L CB -1.105 40.988 42.059 0.056 0.000 0.910 79 L HN -0.038 nan 8.230 nan 0.000 0.437 80 L N -0.537 120.691 121.223 0.008 0.000 2.354 80 L HA 0.046 4.387 4.340 0.000 0.000 0.212 80 L C 1.007 177.873 176.870 -0.005 0.000 1.091 80 L CA -0.056 54.785 54.840 0.003 0.000 0.828 80 L CB -0.108 41.952 42.059 0.002 0.000 0.973 80 L HN 0.062 nan 8.230 nan 0.000 0.461 81 K N 0.886 121.279 120.400 -0.012 0.000 2.484 81 K HA 0.124 4.445 4.320 0.000 0.000 0.280 81 K C 1.051 177.645 176.600 -0.010 0.000 1.013 81 K CA 0.877 57.155 56.287 -0.016 0.000 1.029 81 K CB 0.336 32.822 32.500 -0.024 0.000 0.902 81 K HN 0.290 nan 8.250 nan 0.000 0.481 82 G N 1.791 110.586 108.800 -0.009 0.000 2.217 82 G HA2 -0.218 3.742 3.960 0.000 0.000 0.246 82 G HA3 -0.218 3.742 3.960 0.000 0.000 0.246 82 G C -0.060 174.838 174.900 -0.004 0.000 0.990 82 G CA -0.300 44.796 45.100 -0.006 0.000 0.627 82 G HN 0.517 nan 8.290 nan 0.000 0.522 83 Q N 0.812 120.611 119.800 -0.003 0.000 2.259 83 Q HA 0.410 4.750 4.340 0.000 0.000 0.246 83 Q C -2.489 173.510 176.000 -0.002 0.000 0.920 83 Q CA -1.867 53.935 55.803 -0.001 0.000 0.895 83 Q CB 0.893 29.631 28.738 0.001 0.000 1.220 83 Q HN 0.179 nan 8.270 nan 0.000 0.439 84 P HA -0.031 nan 4.420 nan 0.000 0.263 84 P C -0.287 177.011 177.300 -0.004 0.000 1.195 84 P CA 0.418 63.516 63.100 -0.003 0.000 0.762 84 P CB 0.544 32.242 31.700 -0.002 0.000 0.799 85 A N 3.549 126.366 122.820 -0.005 0.000 2.169 85 A HA -0.073 4.247 4.320 0.000 0.000 0.212 85 A C 1.473 179.052 177.584 -0.009 0.000 1.153 85 A CA 1.130 53.163 52.037 -0.007 0.000 0.756 85 A CB -0.401 18.594 19.000 -0.008 0.000 0.813 85 A HN 0.426 nan 8.150 nan 0.000 0.471 86 D N -0.406 119.989 120.400 -0.009 0.000 2.346 86 D HA -0.031 4.609 4.640 0.000 0.000 0.206 86 D C 0.130 176.424 176.300 -0.010 0.000 1.001 86 D CA 0.137 54.130 54.000 -0.011 0.000 0.871 86 D CB -0.075 40.719 40.800 -0.010 0.000 0.943 86 D HN 0.227 nan 8.370 nan 0.000 0.518 87 N N 1.813 120.509 118.700 -0.007 0.000 2.739 87 N HA 0.009 4.749 4.740 0.000 0.000 0.266 87 N C 1.137 176.644 175.510 -0.004 0.000 1.168 87 N CA -0.127 52.920 53.050 -0.005 0.000 1.055 87 N CB 0.503 38.989 38.487 -0.002 0.000 1.393 87 N HN -0.002 nan 8.380 nan 0.000 0.514 88 L N 2.798 124.017 121.223 -0.007 0.000 2.013 88 L HA -0.189 4.151 4.340 0.000 0.000 0.212 88 L C 1.910 178.779 176.870 -0.002 0.000 1.073 88 L CA 1.410 56.246 54.840 -0.007 0.000 0.753 88 L CB -0.352 41.700 42.059 -0.012 0.000 0.890 88 L HN 0.474 nan 8.230 nan 0.000 0.432 89 N N -0.586 118.114 118.700 -0.001 0.000 2.120 89 N HA -0.147 4.593 4.740 0.000 0.000 0.188 89 N C 1.813 177.326 175.510 0.006 0.000 1.024 89 N CA 1.547 54.599 53.050 0.003 0.000 0.852 89 N CB -0.403 38.085 38.487 0.002 0.000 1.003 89 N HN 0.421 nan 8.380 nan 0.000 0.424 90 A N 1.225 124.048 122.820 0.005 0.000 1.898 90 A HA -0.010 4.311 4.320 0.000 0.000 0.216 90 A C 2.419 180.008 177.584 0.008 0.000 1.181 90 A CA 0.803 52.844 52.037 0.007 0.000 0.620 90 A CB -0.668 18.335 19.000 0.004 0.000 0.819 90 A HN 0.187 nan 8.150 nan 0.000 0.442 91 L N -0.778 120.448 121.223 0.006 0.000 2.056 91 L HA -0.147 4.193 4.340 0.000 0.000 0.207 91 L C 2.768 179.645 176.870 0.012 0.000 1.078 91 L CA 1.722 56.567 54.840 0.008 0.000 0.749 91 L CB -0.829 41.232 42.059 0.003 0.000 0.901 91 L HN 0.331 nan 8.230 nan 0.000 0.433 92 T N -0.156 114.405 114.554 0.012 0.000 2.777 92 T HA -0.141 4.209 4.350 0.000 0.000 0.266 92 T C 2.030 176.745 174.700 0.024 0.000 1.040 92 T CA 1.247 63.357 62.100 0.017 0.000 1.141 92 T CB -0.221 68.656 68.868 0.015 0.000 0.868 92 T HN 0.433 nan 8.240 nan 0.000 0.444 93 A N 1.703 124.536 122.820 0.022 0.000 1.902 93 A HA -0.133 4.188 4.320 0.000 0.000 0.217 93 A C 2.299 179.897 177.584 0.024 0.000 1.181 93 A CA 1.843 53.895 52.037 0.025 0.000 0.623 93 A CB -0.596 18.417 19.000 0.021 0.000 0.818 93 A HN 0.418 nan 8.150 nan 0.000 0.443 94 R N -0.964 119.549 120.500 0.021 0.000 2.073 94 R HA -0.100 4.240 4.340 0.000 0.000 0.234 94 R C 2.218 178.534 176.300 0.025 0.000 1.134 94 R CA 1.873 57.985 56.100 0.021 0.000 0.952 94 R CB -0.320 29.991 30.300 0.018 0.000 0.850 94 R HN 0.562 nan 8.270 nan 0.000 0.433 95 M N 0.513 120.129 119.600 0.027 0.000 2.086 95 M HA -0.173 4.307 4.480 0.000 0.000 0.261 95 M C 1.768 178.086 176.300 0.030 0.000 1.067 95 M CA 1.604 56.923 55.300 0.031 0.000 1.116 95 M CB -0.298 32.320 32.600 0.030 0.000 1.348 95 M HN 0.156 nan 8.290 nan 0.000 0.407 96 N N 0.168 118.888 118.700 0.033 0.000 2.331 96 N HA -0.048 4.692 4.740 0.000 0.000 0.180 96 N C 1.745 177.269 175.510 0.024 0.000 1.019 96 N CA 1.448 54.519 53.050 0.035 0.000 0.881 96 N CB -0.527 37.993 38.487 0.054 0.000 0.972 96 N HN 0.442 nan 8.380 nan 0.000 0.435 97 G N -0.022 108.791 108.800 0.023 0.000 2.448 97 G HA2 0.006 3.966 3.960 0.000 0.000 0.218 97 G HA3 0.006 3.966 3.960 0.000 0.000 0.218 97 G C 1.375 176.281 174.900 0.011 0.000 1.135 97 G CA 0.840 45.950 45.100 0.016 0.000 0.784 97 G HN 0.416 nan 8.290 nan 0.000 0.543 98 A N -0.548 122.281 122.820 0.016 0.000 2.197 98 A HA 0.524 4.845 4.320 0.000 0.000 0.210 98 A C 0.410 177.994 177.584 -0.000 0.000 1.180 98 A CA 0.225 52.272 52.037 0.017 0.000 0.846 98 A CB 0.448 19.470 19.000 0.036 0.000 0.884 98 A HN 0.177 nan 8.150 nan 0.000 0.487 99 I N 1.325 121.892 120.570 -0.005 0.000 2.439 99 I HA 0.322 4.492 4.170 0.000 0.000 0.285 99 I C -0.977 175.122 176.117 -0.029 0.000 1.021 99 I CA -0.803 60.477 61.300 -0.034 0.000 1.091 99 I CB 1.469 39.462 38.000 -0.012 0.000 1.242 99 I HN -0.014 nan 8.210 nan 0.000 0.439 100 K N 3.768 124.137 120.400 -0.052 0.000 2.249 100 K HA 0.520 4.840 4.320 0.000 0.000 0.280 100 K C 0.903 177.486 176.600 -0.028 0.000 1.033 100 K CA 0.218 56.482 56.287 -0.038 0.000 0.946 100 K CB 1.174 33.643 32.500 -0.052 0.000 1.005 100 K HN 0.881 nan 8.250 nan 0.000 0.469 101 G N 3.194 111.993 108.800 -0.002 0.000 2.596 101 G HA2 -0.403 3.557 3.960 0.000 0.000 0.295 101 G HA3 -0.403 3.557 3.960 0.000 0.000 0.295 101 G C -0.087 174.835 174.900 0.037 0.000 1.240 101 G CA 0.356 45.468 45.100 0.020 0.000 0.985 101 G HN 0.854 nan 8.290 nan 0.000 0.555 102 N N -0.108 118.619 118.700 0.045 0.000 2.727 102 N HA -0.250 4.490 4.740 0.000 0.000 0.249 102 N C 1.539 177.128 175.510 0.131 0.000 1.048 102 N CA 1.835 54.928 53.050 0.071 0.000 0.714 102 N CB -1.330 37.176 38.487 0.032 0.000 0.959 102 N HN 1.467 nan 8.380 nan 0.000 0.544 103 T N -3.593 111.070 114.554 0.182 0.000 2.881 103 T HA -0.099 4.251 4.350 0.000 0.000 0.270 103 T C 1.547 176.362 174.700 0.192 0.000 1.068 103 T CA 0.884 63.086 62.100 0.169 0.000 1.131 103 T CB -0.361 68.598 68.868 0.152 0.000 0.871 103 T HN 0.358 nan 8.240 nan 0.000 0.479 104 F N 2.026 121.987 119.950 0.018 0.000 2.113 104 F HA 0.122 4.650 4.527 0.001 0.000 0.297 104 F C 3.076 178.888 175.800 0.019 0.000 1.103 104 F CA 0.718 58.729 58.000 0.019 0.000 1.248 104 F CB -0.568 38.445 39.000 0.022 0.000 0.999 104 F HN 0.228 nan 8.300 nan 0.000 0.475 105 A N 0.325 123.280 122.820 0.224 0.000 1.883 105 A HA -0.233 4.087 4.320 0.000 0.000 0.217 105 A C 2.105 179.738 177.584 0.083 0.000 1.186 105 A CA 1.868 53.983 52.037 0.129 0.000 0.624 105 A CB -0.677 18.387 19.000 0.107 0.000 0.822 105 A HN 0.317 nan 8.150 nan 0.000 0.444 106 K N -0.441 120.005 120.400 0.077 0.000 2.063 106 K HA -0.130 4.190 4.320 0.000 0.000 0.208 106 K C 2.456 179.068 176.600 0.019 0.000 1.048 106 K CA 1.402 57.716 56.287 0.045 0.000 0.928 106 K CB -0.259 32.269 32.500 0.046 0.000 0.713 106 K HN 0.454 nan 8.250 nan 0.000 0.442 107 S N 0.605 116.308 115.700 0.005 0.000 2.370 107 S HA -0.196 4.274 4.470 0.000 0.000 0.226 107 S C 2.063 176.645 174.600 -0.030 0.000 1.033 107 S CA 1.360 59.535 58.200 -0.041 0.000 1.011 107 S CB -0.238 62.896 63.200 -0.110 0.000 0.852 107 S HN 0.388 nan 8.310 nan 0.000 0.457 108 A N 1.861 124.681 122.820 -0.000 0.000 1.877 108 A HA -0.016 4.304 4.320 0.000 0.000 0.216 108 A C 2.120 179.706 177.584 0.004 0.000 1.186 108 A CA 1.564 53.607 52.037 0.010 0.000 0.620 108 A CB -0.703 18.321 19.000 0.040 0.000 0.822 108 A HN 0.566 nan 8.150 nan 0.000 0.443 109 I N -0.145 120.430 120.570 0.008 0.000 2.142 109 I HA -0.215 3.955 4.170 0.000 0.000 0.240 109 I C 2.443 178.555 176.117 -0.009 0.000 1.078 109 I CA 1.864 63.165 61.300 0.002 0.000 1.343 109 I CB -1.510 36.495 38.000 0.009 0.000 1.046 109 I HN 0.558 nan 8.210 nan 0.000 0.405 110 E N 0.506 120.699 120.200 -0.013 0.000 2.118 110 E HA -0.217 4.134 4.350 0.000 0.000 0.195 110 E C 2.049 178.627 176.600 -0.038 0.000 0.992 110 E CA 1.989 58.375 56.400 -0.024 0.000 0.804 110 E CB 0.139 29.823 29.700 -0.027 0.000 0.741 110 E HN 0.413 nan 8.360 nan 0.000 0.458 111 T N 0.318 114.847 114.554 -0.042 0.000 2.746 111 T HA -0.129 4.221 4.350 0.000 0.000 0.267 111 T C 1.817 176.492 174.700 -0.042 0.000 1.039 111 T CA 1.261 63.328 62.100 -0.054 0.000 1.142 111 T CB -0.253 68.584 68.868 -0.052 0.000 0.866 111 T HN 0.328 nan 8.240 nan 0.000 0.444 112 A N 1.059 123.866 122.820 -0.022 0.000 1.930 112 A HA 0.051 4.371 4.320 0.000 0.000 0.217 112 A C 2.297 179.868 177.584 -0.021 0.000 1.175 112 A CA 1.077 53.106 52.037 -0.012 0.000 0.627 112 A CB -0.800 18.202 19.000 0.003 0.000 0.815 112 A HN 0.463 nan 8.150 nan 0.000 0.443 113 L N -0.762 120.447 121.223 -0.024 0.000 2.046 113 L HA -0.184 4.157 4.340 0.000 0.000 0.208 113 L C 2.544 179.391 176.870 -0.038 0.000 1.077 113 L CA 1.134 55.959 54.840 -0.025 0.000 0.747 113 L CB -0.470 41.576 42.059 -0.022 0.000 0.896 113 L HN 0.378 nan 8.230 nan 0.000 0.432 114 L N -0.661 120.530 121.223 -0.052 0.000 2.093 114 L HA -0.213 4.127 4.340 0.000 0.000 0.208 114 L C 2.240 179.057 176.870 -0.089 0.000 1.085 114 L CA 1.086 55.881 54.840 -0.074 0.000 0.755 114 L CB -0.496 41.507 42.059 -0.094 0.000 0.904 114 L HN 0.275 nan 8.230 nan 0.000 0.435 115 D N 0.225 120.576 120.400 -0.082 0.000 2.084 115 D HA -0.190 4.450 4.640 0.000 0.000 0.194 115 D C 2.171 178.437 176.300 -0.056 0.000 0.990 115 D CA 1.556 55.508 54.000 -0.080 0.000 0.826 115 D CB 0.114 40.882 40.800 -0.053 0.000 0.971 115 D HN 0.221 nan 8.370 nan 0.000 0.453 116 A N 0.147 122.945 122.820 -0.037 0.000 1.902 116 A HA -0.228 4.092 4.320 0.000 0.000 0.217 116 A C 2.222 179.788 177.584 -0.030 0.000 1.181 116 A CA 2.032 54.053 52.037 -0.025 0.000 0.623 116 A CB -0.938 18.052 19.000 -0.015 0.000 0.818 116 A HN 0.454 nan 8.150 nan 0.000 0.443 117 Q N -0.605 119.173 119.800 -0.036 0.000 2.124 117 Q HA -0.084 4.257 4.340 0.000 0.000 0.202 117 Q C 1.985 177.960 176.000 -0.042 0.000 0.977 117 Q CA 1.646 57.428 55.803 -0.035 0.000 0.850 117 Q CB -0.540 28.176 28.738 -0.036 0.000 0.901 117 Q HN 0.553 nan 8.270 nan 0.000 0.429 118 G N 0.782 109.547 108.800 -0.059 0.000 2.422 118 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 118 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 118 G C 1.275 176.147 174.900 -0.048 0.000 1.146 118 G CA 0.770 45.830 45.100 -0.067 0.000 0.769 118 G HN 0.297 nan 8.290 nan 0.000 0.547 119 K N 0.552 120.927 120.400 -0.041 0.000 2.097 119 K HA 0.095 4.416 4.320 0.000 0.000 0.205 119 K C 2.860 179.447 176.600 -0.020 0.000 1.050 119 K CA 0.910 57.180 56.287 -0.027 0.000 0.938 119 K CB -0.169 32.319 32.500 -0.021 0.000 0.718 119 K HN 0.259 nan 8.250 nan 0.000 0.442 120 A N 0.820 123.628 122.820 -0.020 0.000 2.015 120 A HA -0.066 4.254 4.320 0.000 0.000 0.219 120 A C 1.855 179.430 177.584 -0.015 0.000 1.163 120 A CA 1.172 53.200 52.037 -0.015 0.000 0.646 120 A CB -0.250 18.741 19.000 -0.015 0.000 0.806 120 A HN 0.178 nan 8.150 nan 0.000 0.448 121 L N -2.049 119.162 121.223 -0.019 0.000 2.638 121 L HA 0.279 4.619 4.340 0.000 0.000 0.232 121 L C 1.479 178.339 176.870 -0.017 0.000 1.099 121 L CA 0.475 55.304 54.840 -0.018 0.000 0.883 121 L CB 0.197 42.244 42.059 -0.020 0.000 1.136 121 L HN 0.511 nan 8.230 nan 0.000 0.492 122 G N 1.284 110.073 108.800 -0.019 0.000 2.160 122 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 122 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 122 G C -0.178 174.711 174.900 -0.018 0.000 1.022 122 G CA 0.022 45.112 45.100 -0.016 0.000 0.741 122 G HN 0.209 nan 8.290 nan 0.000 0.508 123 L N 0.688 121.895 121.223 -0.027 0.000 2.370 123 L HA 0.577 4.917 4.340 0.000 0.000 0.266 123 L C -1.948 174.891 176.870 -0.052 0.000 1.002 123 L CA -2.629 52.193 54.840 -0.029 0.000 0.818 123 L CB 2.685 44.727 42.059 -0.028 0.000 1.325 123 L HN -0.094 nan 8.230 nan 0.000 0.418 124 P HA 0.056 nan 4.420 nan 0.000 0.274 124 P C 0.876 178.067 177.300 -0.182 0.000 1.231 124 P CA -0.322 62.730 63.100 -0.080 0.000 0.790 124 P CB 1.486 33.223 31.700 0.062 0.000 0.951 125 V N 2.109 121.740 119.914 -0.472 0.000 2.324 125 V HA -0.293 3.827 4.120 0.000 0.000 0.250 125 V C 2.763 178.756 176.094 -0.168 0.000 1.060 125 V CA 2.989 65.048 62.300 -0.402 0.000 1.042 125 V CB -1.726 29.725 31.823 -0.621 0.000 0.650 125 V HN 0.751 nan 8.190 nan 0.000 0.450 126 S N 1.113 116.820 115.700 0.012 0.000 2.387 126 S HA -0.231 4.239 4.470 0.000 0.000 0.230 126 S C 2.055 176.681 174.600 0.043 0.000 1.035 126 S CA 1.540 59.816 58.200 0.126 0.000 1.014 126 S CB -0.619 62.719 63.200 0.230 0.000 0.836 126 S HN 0.638 nan 8.310 nan 0.000 0.466 127 A N 1.327 124.158 122.820 0.018 0.000 1.968 127 A HA 0.216 4.536 4.320 0.000 0.000 0.217 127 A C 2.145 179.723 177.584 -0.010 0.000 1.169 127 A CA 1.095 53.135 52.037 0.005 0.000 0.638 127 A CB -0.669 18.331 19.000 -0.001 0.000 0.812 127 A HN 0.453 nan 8.150 nan 0.000 0.446 128 L N -0.407 120.798 121.223 -0.031 0.000 2.201 128 L HA -0.014 4.326 4.340 0.000 0.000 0.212 128 L C 1.793 178.650 176.870 -0.022 0.000 1.105 128 L CA 1.312 56.132 54.840 -0.034 0.000 0.775 128 L CB -0.590 41.434 42.059 -0.059 0.000 0.913 128 L HN 0.368 nan 8.230 nan 0.000 0.440 129 L N -1.281 119.933 121.223 -0.014 0.000 2.653 129 L HA 0.267 4.607 4.340 0.000 0.000 0.232 129 L C 1.344 178.222 176.870 0.013 0.000 1.169 129 L CA 0.539 55.379 54.840 0.000 0.000 0.951 129 L CB -0.575 41.487 42.059 0.005 0.000 1.181 129 L HN 0.459 nan 8.230 nan 0.000 0.460 130 G N -0.563 108.243 108.800 0.009 0.000 2.195 130 G HA2 -0.082 3.878 3.960 0.000 0.000 0.224 130 G HA3 -0.082 3.878 3.960 0.000 0.000 0.224 130 G C 0.516 175.426 174.900 0.017 0.000 0.990 130 G CA -0.257 44.851 45.100 0.013 0.000 0.639 130 G HN 0.855 nan 8.290 nan 0.000 0.514 131 G N -1.042 107.771 108.800 0.022 0.000 2.742 131 G HA2 0.538 4.498 3.960 0.000 0.000 0.686 131 G HA3 0.538 4.498 3.960 0.000 0.000 0.686 131 G C -0.066 174.854 174.900 0.033 0.000 1.220 131 G CA 0.792 45.906 45.100 0.025 0.000 0.783 131 G HN 2.127 nan 8.290 nan 0.000 0.646 132 A N 1.125 123.966 122.820 0.034 0.000 2.363 132 A HA 0.704 5.025 4.320 0.000 0.000 0.270 132 A C 1.295 178.894 177.584 0.024 0.000 1.121 132 A CA -0.141 51.916 52.037 0.033 0.000 0.800 132 A CB 0.791 19.807 19.000 0.026 0.000 1.052 132 A HN 1.342 nan 8.150 nan 0.000 0.493 133 L N 0.528 121.768 121.223 0.027 0.000 2.270 133 L HA 0.068 4.409 4.340 0.000 0.000 0.210 133 L C 1.248 178.125 176.870 0.011 0.000 1.104 133 L CA 1.695 56.547 54.840 0.019 0.000 0.804 133 L CB -0.746 41.327 42.059 0.024 0.000 0.937 133 L HN 0.894 nan 8.230 nan 0.000 0.450 134 Q N -3.302 116.504 119.800 0.011 0.000 2.435 134 Q HA 0.377 4.717 4.340 0.000 0.000 0.282 134 Q C -0.249 175.746 176.000 -0.009 0.000 1.020 134 Q CA -0.023 55.781 55.803 0.001 0.000 0.820 134 Q CB 0.941 29.680 28.738 0.002 0.000 1.436 134 Q HN 0.010 nan 8.270 nan 0.000 0.395 135 T N -2.677 111.865 114.554 -0.020 0.000 3.054 135 T HA 0.591 4.941 4.350 0.000 0.000 0.255 135 T C 0.265 174.931 174.700 -0.056 0.000 1.035 135 T CA 0.302 62.377 62.100 -0.041 0.000 0.941 135 T CB 0.453 69.301 68.868 -0.034 0.000 1.026 135 T HN 0.693 nan 8.240 nan 0.000 0.533 136 A N 2.162 124.958 122.820 -0.040 0.000 2.353 136 A HA 0.707 5.028 4.320 0.000 0.000 0.299 136 A C -0.843 176.729 177.584 -0.021 0.000 1.089 136 A CA -0.762 51.250 52.037 -0.042 0.000 0.736 136 A CB 0.932 19.914 19.000 -0.031 0.000 1.195 136 A HN 0.314 nan 8.150 nan 0.000 0.447 137 L N 3.655 124.868 121.223 -0.018 0.000 2.334 137 L HA 0.565 4.905 4.340 0.000 0.000 0.276 137 L C -2.274 174.622 176.870 0.044 0.000 1.014 137 L CA -1.909 52.944 54.840 0.021 0.000 0.815 137 L CB 1.520 43.607 42.059 0.047 0.000 1.268 137 L HN 0.479 nan 8.230 nan 0.000 0.428 138 P HA 0.188 nan 4.420 nan 0.000 0.275 138 P C -0.871 176.499 177.300 0.118 0.000 1.227 138 P CA -0.203 62.940 63.100 0.072 0.000 0.781 138 P CB 1.574 33.306 31.700 0.053 0.000 0.906 139 V N 4.099 124.110 119.914 0.162 0.000 2.524 139 V HA 0.160 4.280 4.120 0.000 0.000 0.297 139 V C 0.536 176.780 176.094 0.249 0.000 1.035 139 V CA -0.786 61.662 62.300 0.247 0.000 0.867 139 V CB 1.344 33.393 31.823 0.377 0.000 1.004 139 V HN 0.444 nan 8.190 nan 0.000 0.426 140 L N 1.763 123.151 121.223 0.275 0.000 2.490 140 L HA 0.660 5.000 4.340 0.000 0.000 0.245 140 L C -0.310 176.779 176.870 0.366 0.000 1.185 140 L CA -0.350 54.625 54.840 0.225 0.000 0.813 140 L CB 0.510 42.696 42.059 0.211 0.000 1.233 140 L HN 0.743 nan 8.230 nan 0.000 0.489 141 W N 0.001 121.290 121.300 -0.018 0.000 2.785 141 W HA 0.506 5.166 4.660 -0.000 0.000 0.333 141 W C -1.322 175.168 176.519 -0.048 0.000 1.062 141 W CA -0.722 56.549 57.345 -0.123 0.000 1.233 141 W CB 2.230 31.698 29.460 0.015 0.000 1.413 141 W HN 0.563 nan 8.180 nan 0.000 0.489 142 T N 6.094 119.930 114.554 -1.195 0.000 2.806 142 T HA 0.413 4.763 4.350 0.000 0.000 0.290 142 T C -0.059 174.186 174.700 -0.758 0.000 0.966 142 T CA -0.283 61.367 62.100 -0.749 0.000 1.060 142 T CB 0.812 69.292 68.868 -0.646 0.000 0.927 142 T HN 0.213 nan 8.240 nan 0.000 0.485 143 L N 2.973 124.027 121.223 -0.282 0.000 2.276 143 L HA 0.669 5.010 4.340 0.000 0.000 0.286 143 L C 0.367 177.179 176.870 -0.096 0.000 1.024 143 L CA -0.706 54.040 54.840 -0.156 0.000 0.826 143 L CB 1.078 43.094 42.059 -0.072 0.000 1.211 143 L HN 0.805 nan 8.230 nan 0.000 0.422 144 A N 1.167 123.922 122.820 -0.109 0.000 3.367 144 A HA 0.189 4.509 4.320 0.000 0.000 0.208 144 A C 0.823 178.370 177.584 -0.063 0.000 1.043 144 A CA 0.062 52.053 52.037 -0.077 0.000 1.079 144 A CB 0.101 19.033 19.000 -0.113 0.000 1.314 144 A HN 0.659 nan 8.150 nan 0.000 0.668 145 S N -0.999 114.685 115.700 -0.027 0.000 2.489 145 S HA 0.360 4.830 4.470 0.000 0.000 0.228 145 S C 1.637 176.224 174.600 -0.021 0.000 0.995 145 S CA 1.328 59.521 58.200 -0.011 0.000 0.934 145 S CB 0.069 63.279 63.200 0.016 0.000 0.771 145 S HN 2.247 nan 8.310 nan 0.000 0.522 146 G N 0.611 109.385 108.800 -0.045 0.000 2.232 146 G HA2 -0.210 3.751 3.960 0.000 0.000 0.226 146 G HA3 -0.210 3.751 3.960 0.000 0.000 0.226 146 G C -0.279 174.588 174.900 -0.055 0.000 0.996 146 G CA 0.098 45.157 45.100 -0.068 0.000 0.626 146 G HN 0.760 nan 8.290 nan 0.000 0.509 147 D N -0.277 120.119 120.400 -0.008 0.000 2.481 147 D HA 0.647 5.287 4.640 0.000 0.000 0.246 147 D C 1.528 177.877 176.300 0.083 0.000 1.109 147 D CA 0.388 54.402 54.000 0.023 0.000 0.845 147 D CB 1.173 41.984 40.800 0.019 0.000 1.160 147 D HN -0.079 nan 8.370 nan 0.000 0.534 148 T N 2.286 116.928 114.554 0.146 0.000 2.665 148 T HA -0.197 4.153 4.350 0.000 0.000 0.268 148 T C 1.892 176.627 174.700 0.059 0.000 1.035 148 T CA 1.737 63.953 62.100 0.193 0.000 1.151 148 T CB -0.253 68.737 68.868 0.204 0.000 0.862 148 T HN 0.581 nan 8.240 nan 0.000 0.438 149 A N 1.696 124.539 122.820 0.039 0.000 1.908 149 A HA -0.170 4.150 4.320 0.000 0.000 0.218 149 A C 2.278 179.864 177.584 0.003 0.000 1.181 149 A CA 1.753 53.797 52.037 0.011 0.000 0.627 149 A CB -0.462 18.545 19.000 0.012 0.000 0.818 149 A HN 0.496 nan 8.150 nan 0.000 0.445 150 K N -0.445 119.964 120.400 0.015 0.000 2.002 150 K HA -0.148 4.172 4.320 0.000 0.000 0.209 150 K C 1.680 178.282 176.600 0.004 0.000 1.048 150 K CA 1.447 57.741 56.287 0.012 0.000 0.930 150 K CB -0.341 32.172 32.500 0.022 0.000 0.714 150 K HN 0.392 nan 8.250 nan 0.000 0.438 151 D N 1.170 121.577 120.400 0.011 0.000 2.106 151 D HA -0.187 4.454 4.640 0.000 0.000 0.191 151 D C 1.911 178.151 176.300 -0.100 0.000 0.997 151 D CA 1.227 55.214 54.000 -0.022 0.000 0.834 151 D CB -0.346 40.459 40.800 0.008 0.000 0.956 151 D HN 0.182 nan 8.370 nan 0.000 0.448 152 I N 0.979 121.490 120.570 -0.097 0.000 2.264 152 I HA -0.274 3.896 4.170 0.000 0.000 0.248 152 I C 2.453 178.508 176.117 -0.105 0.000 1.111 152 I CA 1.021 62.245 61.300 -0.127 0.000 1.382 152 I CB -0.215 37.732 38.000 -0.088 0.000 1.060 152 I HN -0.058 nan 8.210 nan 0.000 0.418 153 A N 0.321 123.105 122.820 -0.060 0.000 1.873 153 A HA -0.260 4.061 4.320 0.000 0.000 0.215 153 A C 2.318 179.876 177.584 -0.043 0.000 1.186 153 A CA 1.854 53.867 52.037 -0.040 0.000 0.616 153 A CB -0.651 18.337 19.000 -0.019 0.000 0.823 153 A HN 0.459 nan 8.150 nan 0.000 0.442 154 E N -0.662 119.517 120.200 -0.034 0.000 2.077 154 E HA -0.133 4.217 4.350 0.000 0.000 0.193 154 E C 1.969 178.545 176.600 -0.040 0.000 0.989 154 E CA 1.049 57.444 56.400 -0.008 0.000 0.800 154 E CB -0.370 29.375 29.700 0.074 0.000 0.746 154 E HN 0.534 nan 8.360 nan 0.000 0.452 155 G N 0.176 108.866 108.800 -0.183 0.000 2.448 155 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 155 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 155 G C 1.453 176.275 174.900 -0.130 0.000 1.135 155 G CA 0.647 45.478 45.100 -0.447 0.000 0.784 155 G HN 0.209 nan 8.290 nan 0.000 0.543 156 E N 1.424 121.571 120.200 -0.088 0.000 2.072 156 E HA -0.100 4.250 4.350 0.000 0.000 0.191 156 E C 2.545 179.157 176.600 0.020 0.000 0.985 156 E CA 1.382 57.772 56.400 -0.018 0.000 0.801 156 E CB -0.176 29.506 29.700 -0.029 0.000 0.750 156 E HN 0.600 nan 8.360 nan 0.000 0.452 157 K N 0.167 120.570 120.400 0.006 0.000 2.097 157 K HA -0.111 4.209 4.320 0.000 0.000 0.206 157 K C 2.026 178.641 176.600 0.024 0.000 1.049 157 K CA 1.463 57.752 56.287 0.004 0.000 0.933 157 K CB -0.416 32.071 32.500 -0.021 0.000 0.717 157 K HN 0.172 nan 8.250 nan 0.000 0.442 158 L N 1.021 122.285 121.223 0.068 0.000 2.291 158 L HA -0.025 4.315 4.340 0.000 0.000 0.214 158 L C 2.172 179.119 176.870 0.128 0.000 1.120 158 L CA 0.590 55.490 54.840 0.101 0.000 0.799 158 L CB -0.276 41.915 42.059 0.220 0.000 0.925 158 L HN 0.180 nan 8.230 nan 0.000 0.446 159 L N -0.558 120.759 121.223 0.158 0.000 2.554 159 L HA 0.120 4.461 4.340 0.000 0.000 0.226 159 L C 1.357 178.267 176.870 0.067 0.000 1.137 159 L CA -0.408 54.510 54.840 0.130 0.000 0.863 159 L CB -0.290 41.860 42.059 0.151 0.000 0.985 159 L HN 0.160 nan 8.230 nan 0.000 0.451 166 A N 1.054 123.595 122.820 -0.464 0.000 2.422 166 A HA 0.822 5.142 4.320 0.000 0.000 0.302 166 A C -1.407 175.861 177.584 -0.528 0.000 1.041 166 A CA -0.368 51.492 52.037 -0.294 0.000 0.708 166 A CB 1.115 20.085 19.000 -0.050 0.000 1.257 166 A HN 0.065 nan 8.150 nan 0.000 0.414 167 F N 0.711 120.731 119.950 0.118 0.000 2.565 167 F HA 0.601 5.129 4.527 0.001 0.000 0.313 167 F C 0.180 176.014 175.800 0.057 0.000 1.091 167 F CA -0.553 57.504 58.000 0.094 0.000 0.915 167 F CB 2.628 41.673 39.000 0.074 0.000 1.208 167 F HN 0.561 nan 8.300 nan 0.000 0.453 168 K N 4.207 124.734 120.400 0.212 0.000 2.307 168 K HA 0.675 4.996 4.320 0.000 0.000 0.263 168 K C -1.719 174.908 176.600 0.044 0.000 0.973 168 K CA -0.409 55.942 56.287 0.107 0.000 0.846 168 K CB 0.879 33.450 32.500 0.119 0.000 1.100 168 K HN 0.713 nan 8.250 nan 0.000 0.438 169 L N 4.506 125.749 121.223 0.035 0.000 2.295 169 L HA 0.442 4.782 4.340 0.000 0.000 0.285 169 L C -0.083 176.787 176.870 -0.000 0.000 1.035 169 L CA -1.133 53.725 54.840 0.029 0.000 0.806 169 L CB 1.300 43.391 42.059 0.054 0.000 1.214 169 L HN 0.437 nan 8.230 nan 0.000 0.426 170 K N 5.545 125.936 120.400 -0.016 0.000 2.211 170 K HA 0.648 4.968 4.320 0.000 0.000 0.275 170 K C -0.361 176.208 176.600 -0.052 0.000 1.024 170 K CA -0.251 56.001 56.287 -0.059 0.000 0.887 170 K CB 2.057 34.508 32.500 -0.081 0.000 1.084 170 K HN 0.643 nan 8.250 nan 0.000 0.463 171 I N -3.593 116.921 120.570 -0.093 0.000 3.354 171 I HA 0.736 4.906 4.170 0.000 0.000 0.316 171 I C 0.575 176.594 176.117 -0.163 0.000 1.182 171 I CA -0.850 60.401 61.300 -0.082 0.000 0.942 171 I CB 2.201 40.197 38.000 -0.007 0.000 1.299 171 I HN 0.586 nan 8.210 nan 0.000 0.473 172 G N 0.675 109.420 108.800 -0.091 0.000 2.184 172 G HA2 -0.136 3.824 3.960 0.000 0.000 0.206 172 G HA3 -0.136 3.824 3.960 0.000 0.000 0.206 172 G C 0.570 175.474 174.900 0.006 0.000 0.995 172 G CA 0.348 45.379 45.100 -0.115 0.000 0.651 172 G HN 1.369 nan 8.290 nan 0.000 0.511 173 A N -0.496 122.328 122.820 0.007 0.000 2.303 173 A HA 0.612 4.933 4.320 0.000 0.000 0.217 173 A C 1.437 179.041 177.584 0.032 0.000 1.205 173 A CA 0.796 52.843 52.037 0.017 0.000 0.875 173 A CB 0.177 19.172 19.000 -0.007 0.000 0.910 173 A HN 0.303 nan 8.150 nan 0.000 0.501 174 R N 0.016 120.548 120.500 0.052 0.000 3.029 174 R HA 0.469 4.810 4.340 0.000 0.000 0.239 174 R C -0.710 175.645 176.300 0.092 0.000 1.351 174 R CA -0.892 55.239 56.100 0.051 0.000 1.052 174 R CB -0.125 30.189 30.300 0.024 0.000 1.354 174 R HN 0.117 nan 8.270 nan 0.000 0.499 175 E N 1.164 121.403 120.200 0.066 0.000 2.404 175 E HA -0.047 4.303 4.350 0.000 0.000 0.261 175 E C 1.232 177.882 176.600 0.083 0.000 1.074 175 E CA -0.108 56.329 56.400 0.062 0.000 0.917 175 E CB 0.700 30.419 29.700 0.031 0.000 0.965 175 E HN 0.323 nan 8.360 nan 0.000 0.433 176 L N 3.364 124.618 121.223 0.051 0.000 2.013 176 L HA -0.249 4.091 4.340 0.000 0.000 0.212 176 L C 2.009 178.901 176.870 0.036 0.000 1.073 176 L CA 2.698 57.553 54.840 0.025 0.000 0.753 176 L CB -0.939 41.023 42.059 -0.161 0.000 0.890 176 L HN 0.672 nan 8.230 nan 0.000 0.432 177 A N -1.800 121.026 122.820 0.010 0.000 1.908 177 A HA -0.292 4.029 4.320 0.000 0.000 0.218 177 A C 2.476 180.088 177.584 0.046 0.000 1.181 177 A CA 2.592 54.639 52.037 0.017 0.000 0.627 177 A CB -1.376 17.627 19.000 0.005 0.000 0.818 177 A HN 0.588 nan 8.150 nan 0.000 0.445 178 T N -1.391 113.196 114.554 0.054 0.000 2.812 178 T HA -0.130 4.220 4.350 0.000 0.000 0.264 178 T C 1.553 176.315 174.700 0.103 0.000 1.042 178 T CA 1.774 63.912 62.100 0.064 0.000 1.140 178 T CB -0.501 68.393 68.868 0.042 0.000 0.870 178 T HN 0.384 nan 8.240 nan 0.000 0.445 179 D N 0.765 121.240 120.400 0.125 0.000 2.144 179 D HA 0.023 4.664 4.640 0.000 0.000 0.200 179 D C 2.131 178.558 176.300 0.212 0.000 0.978 179 D CA 0.726 54.834 54.000 0.180 0.000 0.833 179 D CB -0.246 40.697 40.800 0.237 0.000 0.961 179 D HN 0.412 nan 8.370 nan 0.000 0.470 180 L N 0.156 121.476 121.223 0.162 0.000 2.109 180 L HA -0.055 4.285 4.340 0.000 0.000 0.207 180 L C 2.601 179.527 176.870 0.094 0.000 1.086 180 L CA 0.774 55.688 54.840 0.124 0.000 0.760 180 L CB -0.144 41.960 42.059 0.075 0.000 0.910 180 L HN -0.065 nan 8.230 nan 0.000 0.437 181 R N -0.854 119.700 120.500 0.090 0.000 2.081 181 R HA -0.215 4.125 4.340 0.000 0.000 0.235 181 R C 2.317 178.668 176.300 0.084 0.000 1.131 181 R CA 1.685 57.827 56.100 0.070 0.000 0.960 181 R CB -0.506 29.832 30.300 0.062 0.000 0.856 181 R HN 0.384 nan 8.270 nan 0.000 0.436 182 H N 0.381 119.466 119.070 0.025 0.000 2.290 182 H HA -0.089 4.467 4.556 0.000 0.000 0.298 182 H C 1.722 177.059 175.328 0.014 0.000 1.087 182 H CA 2.479 58.537 56.048 0.016 0.000 1.291 182 H CB -0.257 29.517 29.762 0.018 0.000 1.369 182 H HN 0.002 nan 8.280 nan 0.000 0.492 183 T N 0.553 115.071 114.554 -0.060 0.000 2.708 183 T HA -0.152 4.199 4.350 0.000 0.000 0.266 183 T C 2.067 176.714 174.700 -0.089 0.000 1.037 183 T CA 1.414 63.446 62.100 -0.114 0.000 1.146 183 T CB -0.280 68.613 68.868 0.040 0.000 0.865 183 T HN 0.333 nan 8.240 nan 0.000 0.435 184 R N 0.908 121.391 120.500 -0.027 0.000 2.105 184 R HA -0.097 4.243 4.340 0.000 0.000 0.239 184 R C 2.572 178.847 176.300 -0.041 0.000 1.135 184 R CA 1.460 57.549 56.100 -0.018 0.000 0.967 184 R CB -0.445 29.858 30.300 0.004 0.000 0.861 184 R HN 0.395 nan 8.270 nan 0.000 0.442 185 A N 0.897 123.680 122.820 -0.062 0.000 1.902 185 A HA -0.138 4.183 4.320 0.000 0.000 0.217 185 A C 2.123 179.650 177.584 -0.095 0.000 1.181 185 A CA 1.382 53.379 52.037 -0.066 0.000 0.623 185 A CB -0.419 18.545 19.000 -0.061 0.000 0.818 185 A HN 0.354 nan 8.150 nan 0.000 0.443 186 I N -0.570 119.905 120.570 -0.159 0.000 2.315 186 I HA -0.175 3.995 4.170 0.000 0.000 0.248 186 I C 2.289 178.354 176.117 -0.087 0.000 1.117 186 I CA 0.839 62.043 61.300 -0.161 0.000 1.404 186 I CB -0.248 37.604 38.000 -0.248 0.000 1.071 186 I HN 0.144 nan 8.210 nan 0.000 0.419 187 V N 0.795 120.674 119.914 -0.058 0.000 2.307 187 V HA -0.257 3.864 4.120 0.000 0.000 0.245 187 V C 2.313 178.404 176.094 -0.006 0.000 1.045 187 V CA 1.863 64.156 62.300 -0.012 0.000 1.024 187 V CB -0.654 31.169 31.823 0.000 0.000 0.651 187 V HN 0.428 nan 8.190 nan 0.000 0.449 188 E N 0.197 120.388 120.200 -0.015 0.000 2.153 188 E HA -0.165 4.185 4.350 0.000 0.000 0.194 188 E C 2.193 178.787 176.600 -0.009 0.000 0.988 188 E CA 1.280 57.676 56.400 -0.008 0.000 0.811 188 E CB -0.221 29.473 29.700 -0.010 0.000 0.746 188 E HN 0.623 nan 8.360 nan 0.000 0.466 189 A N 0.063 122.869 122.820 -0.023 0.000 1.943 189 A HA 0.006 4.326 4.320 0.000 0.000 0.213 189 A C 1.774 179.349 177.584 -0.014 0.000 1.181 189 A CA 0.717 52.739 52.037 -0.025 0.000 0.653 189 A CB 0.251 19.223 19.000 -0.046 0.000 0.833 189 A HN 0.079 nan 8.150 nan 0.000 0.451 190 L N -1.504 119.712 121.223 -0.011 0.000 2.717 190 L HA 0.276 4.616 4.340 0.000 0.000 0.239 190 L C 2.425 179.343 176.870 0.080 0.000 1.086 190 L CA 0.931 55.790 54.840 0.032 0.000 0.897 190 L CB -1.030 41.025 42.059 -0.006 0.000 1.214 190 L HN 0.308 nan 8.230 nan 0.000 0.508 191 G N -0.391 108.444 108.800 0.057 0.000 2.503 191 G HA2 -0.347 3.614 3.960 0.000 0.000 0.221 191 G HA3 -0.347 3.614 3.960 0.000 0.000 0.221 191 G C 1.346 176.284 174.900 0.063 0.000 1.131 191 G CA 1.198 46.338 45.100 0.066 0.000 0.756 191 G HN 0.400 nan 8.290 nan 0.000 0.572 192 D N 0.496 120.925 120.400 0.050 0.000 2.363 192 D HA -0.025 4.616 4.640 0.000 0.000 0.220 192 D C 2.339 178.668 176.300 0.048 0.000 0.994 192 D CA 0.462 54.487 54.000 0.042 0.000 0.890 192 D CB 0.105 40.923 40.800 0.030 0.000 0.906 192 D HN 0.572 nan 8.370 nan 0.000 0.530 193 R N -0.817 119.724 120.500 0.068 0.000 2.487 193 R HA 0.505 4.846 4.340 0.000 0.000 0.272 193 R C 0.268 176.625 176.300 0.095 0.000 0.928 193 R CA -0.335 55.809 56.100 0.073 0.000 1.077 193 R CB 0.951 31.297 30.300 0.077 0.000 1.265 193 R HN -0.041 nan 8.270 nan 0.000 0.537 194 A N 0.996 123.891 122.820 0.125 0.000 2.587 194 A HA 0.525 4.845 4.320 0.000 0.000 0.293 194 A C -1.130 176.530 177.584 0.128 0.000 1.087 194 A CA -0.577 51.542 52.037 0.137 0.000 0.692 194 A CB 2.009 21.188 19.000 0.299 0.000 1.291 194 A HN 0.079 nan 8.150 nan 0.000 0.407 195 S N 1.203 116.957 115.700 0.091 0.000 2.465 195 S HA 0.505 4.976 4.470 0.000 0.000 0.279 195 S C -0.294 174.396 174.600 0.150 0.000 1.201 195 S CA -0.441 57.825 58.200 0.110 0.000 1.053 195 S CB -0.468 62.792 63.200 0.100 0.000 0.953 195 S HN 0.423 nan 8.310 nan 0.000 0.488 196 I N 5.648 126.306 120.570 0.146 0.000 2.321 196 I HA 0.462 4.632 4.170 0.000 0.000 0.291 196 I C 0.229 176.402 176.117 0.094 0.000 0.998 196 I CA -0.476 60.910 61.300 0.143 0.000 1.227 196 I CB 1.075 39.140 38.000 0.109 0.000 1.368 196 I HN 0.620 nan 8.210 nan 0.000 0.466 197 R N 4.422 124.970 120.500 0.080 0.000 2.803 197 R HA 0.813 5.154 4.340 0.000 0.000 0.276 197 R C -0.652 175.646 176.300 -0.004 0.000 0.978 197 R CA -0.774 55.329 56.100 0.005 0.000 0.939 197 R CB 2.360 32.636 30.300 -0.040 0.000 1.179 197 R HN 0.490 nan 8.270 nan 0.000 0.472 198 V N -2.075 117.809 119.914 -0.048 0.000 3.001 198 V HA 0.727 4.847 4.120 0.000 0.000 0.314 198 V C -1.195 174.833 176.094 -0.110 0.000 1.099 198 V CA -0.760 61.507 62.300 -0.054 0.000 0.989 198 V CB 2.320 34.122 31.823 -0.035 0.000 1.040 198 V HN 0.698 nan 8.190 nan 0.000 0.434 199 D N 1.464 121.790 120.400 -0.124 0.000 2.542 199 D HA 0.516 5.156 4.640 0.000 0.000 0.252 199 D C 0.203 176.365 176.300 -0.229 0.000 1.222 199 D CA -0.291 53.615 54.000 -0.157 0.000 0.895 199 D CB 2.089 42.827 40.800 -0.103 0.000 1.207 199 D HN 0.370 nan 8.370 nan 0.000 0.558 200 V N 3.170 122.884 119.914 -0.334 0.000 3.506 200 V HA 0.059 4.179 4.120 0.000 0.000 0.263 200 V C 1.018 176.917 176.094 -0.326 0.000 1.203 200 V CA 0.149 62.147 62.300 -0.503 0.000 1.133 200 V CB -1.381 29.877 31.823 -0.942 0.000 0.802 200 V HN 0.802 nan 8.190 nan 0.000 0.459 201 N N 1.642 120.215 118.700 -0.212 0.000 2.686 201 N HA -0.309 4.431 4.740 0.000 0.000 0.261 201 N C 0.693 176.142 175.510 -0.102 0.000 1.001 201 N CA 1.157 54.130 53.050 -0.127 0.000 0.764 201 N CB -1.018 37.412 38.487 -0.094 0.000 0.898 201 N HN 0.737 nan 8.380 nan 0.000 0.544 202 Q N -3.761 115.967 119.800 -0.120 0.000 2.324 202 Q HA -0.336 4.004 4.340 0.000 0.000 0.200 202 Q C 1.171 177.139 176.000 -0.053 0.000 0.645 202 Q CA 1.314 57.071 55.803 -0.077 0.000 1.377 202 Q CB -1.784 26.918 28.738 -0.061 0.000 1.486 202 Q HN 0.674 nan 8.270 nan 0.000 0.796 203 A N -0.109 122.641 122.820 -0.117 0.000 1.972 203 A HA -0.116 4.205 4.320 0.000 0.000 0.219 203 A C 0.416 178.078 177.584 0.130 0.000 1.169 203 A CA 0.891 52.898 52.037 -0.050 0.000 0.635 203 A CB -0.151 18.767 19.000 -0.137 0.000 0.810 203 A HN 0.387 nan 8.150 nan 0.000 0.446 204 W N 2.060 123.365 121.300 0.009 0.000 2.316 204 W HA 0.353 5.013 4.660 0.000 0.000 0.321 204 W C -0.057 176.469 176.519 0.012 0.000 1.203 204 W CA -1.735 55.615 57.345 0.009 0.000 1.214 204 W CB 0.139 29.604 29.460 0.009 0.000 1.169 204 W HN 0.419 nan 8.180 nan 0.000 0.561 205 D N 0.529 121.066 120.400 0.228 0.000 2.398 205 D HA 0.248 4.889 4.640 0.000 0.000 0.247 205 D C 1.029 177.392 176.300 0.104 0.000 1.227 205 D CA -0.266 53.808 54.000 0.123 0.000 0.980 205 D CB 0.941 41.783 40.800 0.069 0.000 1.106 205 D HN 0.294 nan 8.370 nan 0.000 0.493 206 A N 0.704 123.566 122.820 0.070 0.000 1.908 206 A HA -0.088 4.232 4.320 0.000 0.000 0.218 206 A C 2.239 179.832 177.584 0.015 0.000 1.181 206 A CA 2.590 54.659 52.037 0.054 0.000 0.627 206 A CB -1.095 17.930 19.000 0.042 0.000 0.818 206 A HN 0.717 nan 8.150 nan 0.000 0.445 207 A N -1.251 121.563 122.820 -0.011 0.000 1.855 207 A HA -0.064 4.256 4.320 0.000 0.000 0.215 207 A C 2.317 179.833 177.584 -0.113 0.000 1.191 207 A CA 2.238 54.246 52.037 -0.048 0.000 0.613 207 A CB -1.298 17.676 19.000 -0.043 0.000 0.829 207 A HN 0.415 nan 8.150 nan 0.000 0.442 208 T N -0.168 114.293 114.554 -0.155 0.000 2.788 208 T HA -0.033 4.317 4.350 0.000 0.000 0.268 208 T C 1.924 176.318 174.700 -0.509 0.000 1.044 208 T CA 1.381 63.262 62.100 -0.366 0.000 1.139 208 T CB -0.573 68.045 68.868 -0.417 0.000 0.867 208 T HN 0.592 nan 8.240 nan 0.000 0.454 209 G N 1.169 109.864 108.800 -0.175 0.000 2.421 209 G HA2 -0.080 3.880 3.960 0.000 0.000 0.216 209 G HA3 -0.080 3.880 3.960 0.000 0.000 0.216 209 G C 1.829 176.713 174.900 -0.026 0.000 1.171 209 G CA 0.929 46.060 45.100 0.051 0.000 0.775 209 G HN 0.573 nan 8.290 nan 0.000 0.543 210 A N 0.633 123.425 122.820 -0.046 0.000 1.877 210 A HA -0.024 4.296 4.320 0.000 0.000 0.216 210 A C 2.230 179.764 177.584 -0.085 0.000 1.186 210 A CA 2.177 54.192 52.037 -0.037 0.000 0.620 210 A CB -0.455 18.527 19.000 -0.029 0.000 0.822 210 A HN 0.399 nan 8.150 nan 0.000 0.443 211 K N -0.770 119.538 120.400 -0.153 0.000 2.025 211 K HA -0.089 4.231 4.320 0.000 0.000 0.207 211 K C 2.086 178.560 176.600 -0.210 0.000 1.049 211 K CA 1.361 57.549 56.287 -0.166 0.000 0.933 211 K CB -0.551 31.835 32.500 -0.189 0.000 0.714 211 K HN 0.378 nan 8.250 nan 0.000 0.438 212 G N 0.802 109.354 108.800 -0.413 0.000 2.421 212 G HA2 -0.275 3.686 3.960 0.000 0.000 0.216 212 G HA3 -0.275 3.686 3.960 0.000 0.000 0.216 212 G C 1.656 176.524 174.900 -0.053 0.000 1.171 212 G CA 1.075 45.890 45.100 -0.475 0.000 0.775 212 G HN 0.437 nan 8.290 nan 0.000 0.543 213 C N 0.008 119.338 119.300 0.050 0.000 2.425 213 C HA 0.066 4.526 4.460 0.000 0.000 0.277 213 C C 2.971 177.995 174.990 0.057 0.000 1.280 213 C CA 0.576 59.676 59.018 0.136 0.000 1.744 213 C CB -0.838 26.987 27.740 0.141 0.000 1.989 213 C HN 0.442 nan 8.230 nan 0.000 0.491 214 R N 0.538 121.044 120.500 0.011 0.000 2.081 214 R HA -0.104 4.236 4.340 0.000 0.000 0.235 214 R C 2.221 178.525 176.300 0.007 0.000 1.131 214 R CA 1.091 57.192 56.100 0.003 0.000 0.960 214 R CB -0.256 30.034 30.300 -0.016 0.000 0.856 214 R HN 0.553 nan 8.270 nan 0.000 0.436 215 E N 0.812 121.011 120.200 -0.001 0.000 2.072 215 E HA -0.140 4.211 4.350 0.000 0.000 0.191 215 E C 2.143 178.764 176.600 0.035 0.000 0.985 215 E CA 0.915 57.320 56.400 0.008 0.000 0.801 215 E CB -0.117 29.579 29.700 -0.007 0.000 0.750 215 E HN 0.328 nan 8.360 nan 0.000 0.452 216 L N 0.405 121.667 121.223 0.065 0.000 2.046 216 L HA -0.173 4.168 4.340 0.000 0.000 0.208 216 L C 2.555 179.457 176.870 0.053 0.000 1.077 216 L CA 1.208 56.096 54.840 0.080 0.000 0.747 216 L CB -0.527 41.608 42.059 0.127 0.000 0.896 216 L HN 0.061 nan 8.230 nan 0.000 0.432 217 A N 0.052 122.899 122.820 0.045 0.000 1.877 217 A HA -0.178 4.142 4.320 0.000 0.000 0.216 217 A C 2.528 180.128 177.584 0.027 0.000 1.186 217 A CA 1.740 53.796 52.037 0.033 0.000 0.620 217 A CB -0.795 18.221 19.000 0.026 0.000 0.822 217 A HN 0.397 nan 8.150 nan 0.000 0.443 218 A N 0.425 123.258 122.820 0.022 0.000 1.978 218 A HA -0.147 4.173 4.320 0.000 0.000 0.220 218 A C 2.241 179.836 177.584 0.019 0.000 1.170 218 A CA 1.983 54.029 52.037 0.017 0.000 0.636 218 A CB -0.741 18.265 19.000 0.010 0.000 0.810 218 A HN 0.848 nan 8.150 nan 0.000 0.448 219 M N -3.207 116.407 119.600 0.023 0.000 2.558 219 M HA 0.376 4.856 4.480 0.000 0.000 0.255 219 M C 1.191 177.507 176.300 0.026 0.000 1.113 219 M CA 1.292 56.605 55.300 0.023 0.000 1.097 219 M CB 0.146 32.760 32.600 0.024 0.000 1.426 219 M HN 0.665 nan 8.290 nan 0.000 0.488 220 G N 0.849 109.668 108.800 0.031 0.000 2.168 220 G HA2 -0.142 3.818 3.960 0.000 0.000 0.197 220 G HA3 -0.142 3.818 3.960 0.000 0.000 0.197 220 G C -0.110 174.818 174.900 0.046 0.000 0.997 220 G CA -0.170 44.953 45.100 0.037 0.000 0.658 220 G HN 0.336 nan 8.290 nan 0.000 0.513 221 V N 1.545 121.486 119.914 0.044 0.000 2.673 221 V HA 0.165 4.285 4.120 0.000 0.000 0.303 221 V C 1.358 177.483 176.094 0.051 0.000 1.046 221 V CA 0.887 63.215 62.300 0.046 0.000 1.126 221 V CB 1.146 32.993 31.823 0.039 0.000 0.934 221 V HN 0.287 nan 8.190 nan 0.000 0.487 222 D N 2.500 122.943 120.400 0.072 0.000 2.249 222 D HA 0.143 4.783 4.640 0.000 0.000 0.205 222 D C 0.111 176.432 176.300 0.035 0.000 0.962 222 D CA 0.807 54.881 54.000 0.124 0.000 0.860 222 D CB 0.484 41.419 40.800 0.225 0.000 0.955 222 D HN 0.309 nan 8.370 nan 0.000 0.505 223 L N 0.320 121.488 121.223 -0.092 0.000 2.565 223 L HA 0.376 4.716 4.340 0.000 0.000 0.261 223 L C -1.850 174.893 176.870 -0.211 0.000 0.932 223 L CA -0.450 54.205 54.840 -0.308 0.000 0.878 223 L CB 2.122 43.809 42.059 -0.620 0.000 1.333 223 L HN -0.238 nan 8.230 nan 0.000 0.409 224 I N 3.677 124.132 120.570 -0.192 0.000 2.355 224 I HA 0.407 4.577 4.170 0.000 0.000 0.288 224 I C -0.258 175.768 176.117 -0.152 0.000 0.999 224 I CA -0.473 60.754 61.300 -0.122 0.000 1.163 224 I CB 1.718 39.700 38.000 -0.030 0.000 1.316 224 I HN 0.622 nan 8.210 nan 0.000 0.454 225 E N 5.855 125.951 120.200 -0.173 0.000 2.200 225 E HA 0.107 4.457 4.350 0.000 0.000 0.283 225 E C -0.164 176.353 176.600 -0.138 0.000 1.015 225 E CA -0.684 55.616 56.400 -0.166 0.000 0.819 225 E CB 0.808 30.401 29.700 -0.179 0.000 1.081 225 E HN 0.463 nan 8.360 nan 0.000 0.397 226 Q N 4.099 123.840 119.800 -0.099 0.000 2.417 226 Q HA -0.173 4.167 4.340 0.000 0.000 0.368 226 Q C -1.926 174.010 176.000 -0.106 0.000 1.359 226 Q CA 0.672 56.423 55.803 -0.087 0.000 1.122 226 Q CB -0.213 28.468 28.738 -0.095 0.000 1.295 226 Q HN 0.499 nan 8.270 nan 0.000 0.337 227 P HA -0.112 nan 4.420 nan 0.000 0.218 227 P C 0.485 177.810 177.300 0.041 0.000 1.149 227 P CA 1.613 64.678 63.100 -0.059 0.000 0.817 227 P CB 0.066 31.850 31.700 0.139 0.000 0.785 228 V N -3.737 116.214 119.914 0.061 0.000 3.166 228 V HA 0.627 4.747 4.120 0.000 0.000 0.317 228 V C 0.406 176.512 176.094 0.019 0.000 1.136 228 V CA -1.265 61.084 62.300 0.083 0.000 1.035 228 V CB 0.954 32.839 31.823 0.103 0.000 1.110 228 V HN -0.029 nan 8.190 nan 0.000 0.450 229 S N 0.366 116.082 115.700 0.027 0.000 2.579 229 S HA 0.439 4.910 4.470 0.000 0.000 0.275 229 S C 1.361 175.931 174.600 -0.050 0.000 1.345 229 S CA 0.124 58.307 58.200 -0.027 0.000 1.031 229 S CB 0.931 64.135 63.200 0.008 0.000 0.892 229 S HN 1.698 nan 8.310 nan 0.000 0.529 230 A N 2.981 125.720 122.820 -0.136 0.000 2.172 230 A HA 0.010 4.330 4.320 0.000 0.000 0.216 230 A C 1.494 179.054 177.584 -0.040 0.000 1.154 230 A CA 1.195 53.161 52.037 -0.117 0.000 0.701 230 A CB -0.902 18.004 19.000 -0.158 0.000 0.789 230 A HN 1.014 nan 8.150 nan 0.000 0.465 231 H N -1.834 117.231 119.070 -0.008 0.000 2.556 231 H HA 0.029 4.585 4.556 0.000 0.000 0.268 231 H C -0.073 175.255 175.328 0.000 0.000 0.996 231 H CA 0.475 56.520 56.048 -0.005 0.000 1.157 231 H CB 0.402 30.163 29.762 -0.001 0.000 1.355 231 H HN 0.334 nan 8.280 nan 0.000 0.597 232 D N -0.590 119.875 120.400 0.109 0.000 2.739 232 D HA 0.061 4.702 4.640 0.000 0.000 0.335 232 D C 0.111 176.439 176.300 0.047 0.000 1.216 232 D CA -0.175 53.869 54.000 0.074 0.000 0.808 232 D CB -0.445 40.401 40.800 0.076 0.000 1.121 232 D HN 0.216 nan 8.370 nan 0.000 0.499 233 N N 0.006 118.724 118.700 0.031 0.000 2.289 233 N HA -0.157 4.583 4.740 0.000 0.000 0.184 233 N C 1.790 177.326 175.510 0.043 0.000 1.016 233 N CA 0.881 53.938 53.050 0.012 0.000 0.872 233 N CB 0.354 38.833 38.487 -0.013 0.000 0.973 233 N HN 0.278 nan 8.380 nan 0.000 0.433 234 A N 1.391 124.239 122.820 0.046 0.000 1.908 234 A HA -0.117 4.203 4.320 0.000 0.000 0.218 234 A C 2.352 179.974 177.584 0.063 0.000 1.181 234 A CA 1.820 53.888 52.037 0.051 0.000 0.627 234 A CB -0.790 18.235 19.000 0.041 0.000 0.818 234 A HN 0.358 nan 8.150 nan 0.000 0.445 235 A N -0.766 122.091 122.820 0.062 0.000 1.898 235 A HA 0.011 4.331 4.320 0.000 0.000 0.216 235 A C 2.125 179.765 177.584 0.092 0.000 1.181 235 A CA 1.637 53.716 52.037 0.070 0.000 0.620 235 A CB -0.613 18.428 19.000 0.070 0.000 0.819 235 A HN 0.622 nan 8.150 nan 0.000 0.442 236 L N -0.019 121.263 121.223 0.099 0.000 2.012 236 L HA -0.142 4.198 4.340 0.000 0.000 0.210 236 L C 2.434 179.446 176.870 0.237 0.000 1.073 236 L CA 1.923 56.850 54.840 0.145 0.000 0.748 236 L CB -0.479 41.628 42.059 0.080 0.000 0.891 236 L HN 0.171 nan 8.230 nan 0.000 0.431 237 V N -0.201 119.842 119.914 0.216 0.000 2.295 237 V HA -0.315 3.805 4.120 0.000 0.000 0.246 237 V C 2.753 178.919 176.094 0.121 0.000 1.049 237 V CA 2.171 64.609 62.300 0.230 0.000 1.024 237 V CB -0.732 31.187 31.823 0.159 0.000 0.648 237 V HN 0.524 nan 8.190 nan 0.000 0.447 238 R N -0.251 120.302 120.500 0.089 0.000 2.083 238 R HA -0.161 4.180 4.340 0.000 0.000 0.237 238 R C 2.309 178.637 176.300 0.047 0.000 1.137 238 R CA 1.774 57.907 56.100 0.054 0.000 0.951 238 R CB -0.334 29.995 30.300 0.047 0.000 0.851 238 R HN 0.448 nan 8.270 nan 0.000 0.434 239 L N 0.585 121.849 121.223 0.069 0.000 2.046 239 L HA -0.177 4.163 4.340 0.000 0.000 0.208 239 L C 2.681 179.571 176.870 0.032 0.000 1.077 239 L CA 1.655 56.531 54.840 0.060 0.000 0.747 239 L CB -0.519 41.595 42.059 0.092 0.000 0.896 239 L HN 0.378 nan 8.230 nan 0.000 0.432 240 S N -0.705 115.015 115.700 0.032 0.000 2.419 240 S HA -0.244 4.227 4.470 0.000 0.000 0.233 240 S C 1.773 176.307 174.600 -0.111 0.000 1.016 240 S CA 1.108 59.250 58.200 -0.096 0.000 0.974 240 S CB -0.319 62.692 63.200 -0.316 0.000 0.786 240 S HN 0.541 nan 8.310 nan 0.000 0.492 241 Q N 0.515 120.282 119.800 -0.055 0.000 2.408 241 Q HA 0.077 4.417 4.340 0.000 0.000 0.205 241 Q C 2.248 178.231 176.000 -0.027 0.000 0.919 241 Q CA 0.839 56.613 55.803 -0.048 0.000 0.932 241 Q CB 0.049 28.772 28.738 -0.026 0.000 1.058 241 Q HN 0.973 nan 8.270 nan 0.000 0.517 242 Q N -0.747 119.044 119.800 -0.015 0.000 2.422 242 Q HA 0.142 4.483 4.340 0.000 0.000 0.255 242 Q C 0.438 176.435 176.000 -0.006 0.000 0.864 242 Q CA -0.157 55.641 55.803 -0.007 0.000 0.968 242 Q CB 0.516 29.255 28.738 0.002 0.000 1.130 242 Q HN 0.077 nan 8.270 nan 0.000 0.556 243 I N 3.322 123.891 120.570 -0.003 0.000 2.588 243 I HA 0.027 4.197 4.170 0.000 0.000 0.283 243 I C 0.359 176.473 176.117 -0.005 0.000 1.119 243 I CA 0.254 61.556 61.300 0.003 0.000 1.419 243 I CB 0.968 38.978 38.000 0.016 0.000 1.394 243 I HN 0.319 nan 8.210 nan 0.000 0.562 244 E N 3.757 123.958 120.200 0.002 0.000 2.422 244 E HA 0.145 4.496 4.350 0.000 0.000 0.267 244 E C 0.098 176.704 176.600 0.011 0.000 1.466 244 E CA -0.022 56.380 56.400 0.004 0.000 1.767 244 E CB 0.257 29.961 29.700 0.006 0.000 1.471 244 E HN 0.588 nan 8.360 nan 0.000 0.446 245 T N -0.811 113.746 114.554 0.005 0.000 2.718 245 T HA 0.468 4.818 4.350 0.000 0.000 0.306 245 T C -1.508 173.181 174.700 -0.018 0.000 1.485 245 T CA -0.507 61.600 62.100 0.012 0.000 0.997 245 T CB 1.183 70.062 68.868 0.018 0.000 1.504 245 T HN 0.139 nan 8.240 nan 0.000 0.497 246 A N 2.401 125.203 122.820 -0.030 0.000 2.425 246 A HA 0.636 4.957 4.320 0.000 0.000 0.249 246 A C -0.158 177.305 177.584 -0.202 0.000 1.084 246 A CA -0.314 51.649 52.037 -0.124 0.000 0.781 246 A CB -0.113 18.784 19.000 -0.172 0.000 1.019 246 A HN 0.616 nan 8.150 nan 0.000 0.490 247 I N 2.314 122.780 120.570 -0.173 0.000 2.441 247 I HA 0.348 4.518 4.170 0.000 0.000 0.295 247 I C -0.233 175.862 176.117 -0.037 0.000 0.994 247 I CA -0.375 60.882 61.300 -0.072 0.000 1.144 247 I CB 1.329 39.374 38.000 0.076 0.000 1.314 247 I HN 0.563 nan 8.210 nan 0.000 0.445 248 L N 5.227 126.398 121.223 -0.087 0.000 2.325 248 L HA 0.638 4.978 4.340 0.000 0.000 0.281 248 L C -0.058 176.806 176.870 -0.009 0.000 1.004 248 L CA -0.551 54.224 54.840 -0.108 0.000 0.823 248 L CB 1.644 43.491 42.059 -0.353 0.000 1.236 248 L HN 0.750 nan 8.230 nan 0.000 0.415 249 A N 3.184 126.029 122.820 0.042 0.000 2.328 249 A HA 0.368 4.688 4.320 0.000 0.000 0.284 249 A C -0.290 177.232 177.584 -0.103 0.000 1.160 249 A CA -0.380 51.576 52.037 -0.136 0.000 0.818 249 A CB 1.103 19.853 19.000 -0.416 0.000 1.087 249 A HN 0.838 nan 8.150 nan 0.000 0.504 250 D N 0.828 121.160 120.400 -0.115 0.000 3.040 250 D HA 0.048 4.688 4.640 0.000 0.000 0.221 250 D C 1.274 177.518 176.300 -0.094 0.000 1.515 250 D CA 0.396 54.351 54.000 -0.074 0.000 1.379 250 D CB -0.145 40.630 40.800 -0.042 0.000 0.992 250 D HN 0.406 nan 8.370 nan 0.000 0.234 251 E N 0.321 120.474 120.200 -0.077 0.000 2.209 251 E HA 0.020 4.370 4.350 0.000 0.000 0.196 251 E C 1.721 178.257 176.600 -0.107 0.000 0.993 251 E CA 1.104 57.462 56.400 -0.070 0.000 0.819 251 E CB -0.317 29.344 29.700 -0.065 0.000 0.745 251 E HN 0.353 nan 8.360 nan 0.000 0.477 252 A N 0.094 122.823 122.820 -0.152 0.000 2.121 252 A HA 0.014 4.334 4.320 0.000 0.000 0.218 252 A C 0.895 178.337 177.584 -0.238 0.000 1.154 252 A CA 0.590 52.516 52.037 -0.186 0.000 0.679 252 A CB 0.355 19.215 19.000 -0.234 0.000 0.795 252 A HN 0.122 nan 8.150 nan 0.000 0.458 253 V N -1.365 118.385 119.914 -0.274 0.000 2.524 253 V HA 0.657 4.777 4.120 0.000 0.000 0.297 253 V C 0.253 176.229 176.094 -0.197 0.000 1.035 253 V CA 0.039 62.138 62.300 -0.335 0.000 0.867 253 V CB 1.272 32.649 31.823 -0.744 0.000 1.004 253 V HN 0.389 nan 8.190 nan 0.000 0.426 254 A N 4.818 127.576 122.820 -0.104 0.000 1.993 254 A HA 0.484 4.804 4.320 0.000 0.000 0.202 254 A C 1.074 178.658 177.584 -0.000 0.000 1.461 254 A CA 0.957 52.977 52.037 -0.027 0.000 0.824 254 A CB 0.098 19.113 19.000 0.025 0.000 1.024 254 A HN 1.056 nan 8.150 nan 0.000 0.507 255 T N -4.176 110.394 114.554 0.027 0.000 2.937 255 T HA 0.643 4.993 4.350 0.000 0.000 0.283 255 T C 1.144 175.862 174.700 0.031 0.000 1.012 255 T CA 0.097 62.236 62.100 0.065 0.000 0.997 255 T CB 1.490 70.472 68.868 0.190 0.000 1.136 255 T HN 0.674 nan 8.240 nan 0.000 0.551 256 A N -0.270 122.530 122.820 -0.034 0.000 1.972 256 A HA 0.038 4.358 4.320 0.000 0.000 0.219 256 A C 1.964 179.527 177.584 -0.034 0.000 1.169 256 A CA 1.155 53.148 52.037 -0.074 0.000 0.635 256 A CB -1.416 17.468 19.000 -0.194 0.000 0.810 256 A HN 0.895 nan 8.150 nan 0.000 0.446 257 Y N 0.590 120.936 120.300 0.076 0.000 2.181 257 Y HA -0.211 4.339 4.550 0.001 0.000 0.288 257 Y C 2.287 178.251 175.900 0.106 0.000 1.146 257 Y CA 1.324 59.485 58.100 0.102 0.000 1.164 257 Y CB -0.268 38.229 38.460 0.062 0.000 0.982 257 Y HN 0.285 nan 8.280 nan 0.000 0.515 258 D N -0.564 119.952 120.400 0.193 0.000 2.117 258 D HA -0.131 4.509 4.640 0.000 0.000 0.197 258 D C 2.395 178.685 176.300 -0.016 0.000 0.987 258 D CA 1.446 55.477 54.000 0.052 0.000 0.829 258 D CB -0.842 39.937 40.800 -0.036 0.000 0.961 258 D HN 0.437 nan 8.370 nan 0.000 0.460 259 G N -0.143 108.649 108.800 -0.014 0.000 2.418 259 G HA2 -0.310 3.650 3.960 0.000 0.000 0.217 259 G HA3 -0.310 3.650 3.960 0.000 0.000 0.217 259 G C 1.598 176.638 174.900 0.233 0.000 1.158 259 G CA 0.743 45.873 45.100 0.049 0.000 0.771 259 G HN 0.314 nan 8.290 nan 0.000 0.545 260 Y N 1.027 121.400 120.300 0.121 0.000 2.184 260 Y HA -0.054 4.496 4.550 0.000 0.000 0.290 260 Y C 2.999 178.971 175.900 0.120 0.000 1.129 260 Y CA 2.047 60.220 58.100 0.120 0.000 1.144 260 Y CB -0.369 38.141 38.460 0.084 0.000 0.995 260 Y HN 0.278 nan 8.280 nan 0.000 0.513 261 Q N -0.343 119.431 119.800 -0.043 0.000 2.030 261 Q HA -0.231 4.110 4.340 0.000 0.000 0.204 261 Q C 2.217 178.151 176.000 -0.111 0.000 0.986 261 Q CA 2.005 57.747 55.803 -0.101 0.000 0.843 261 Q CB -0.479 28.297 28.738 0.063 0.000 0.904 261 Q HN 0.495 nan 8.270 nan 0.000 0.420 262 L N 0.495 121.696 121.223 -0.037 0.000 2.046 262 L HA -0.137 4.203 4.340 0.000 0.000 0.208 262 L C 2.139 179.074 176.870 0.109 0.000 1.077 262 L CA 2.053 56.899 54.840 0.011 0.000 0.747 262 L CB -0.803 41.214 42.059 -0.070 0.000 0.896 262 L HN 0.154 nan 8.230 nan 0.000 0.432 263 A N -1.164 121.728 122.820 0.120 0.000 1.877 263 A HA -0.256 4.064 4.320 0.000 0.000 0.216 263 A C 2.261 179.824 177.584 -0.036 0.000 1.186 263 A CA 1.652 53.755 52.037 0.109 0.000 0.620 263 A CB -0.804 18.250 19.000 0.090 0.000 0.822 263 A HN 0.588 nan 8.150 nan 0.000 0.443 264 Q N -0.118 119.538 119.800 -0.240 0.000 2.181 264 Q HA -0.259 4.081 4.340 0.000 0.000 0.205 264 Q C 1.987 177.931 176.000 -0.093 0.000 0.980 264 Q CA 2.226 57.876 55.803 -0.255 0.000 0.862 264 Q CB -0.334 28.078 28.738 -0.544 0.000 0.905 264 Q HN 0.812 nan 8.270 nan 0.000 0.429 265 Q N -1.305 118.463 119.800 -0.053 0.000 2.364 265 Q HA -0.048 4.292 4.340 0.000 0.000 0.207 265 Q C 0.531 176.555 176.000 0.040 0.000 0.970 265 Q CA 0.966 56.773 55.803 0.007 0.000 0.888 265 Q CB 0.080 28.834 28.738 0.027 0.000 0.951 265 Q HN 0.654 nan 8.270 nan 0.000 0.469 266 G N -0.239 108.593 108.800 0.053 0.000 2.192 266 G HA2 -0.260 3.701 3.960 0.000 0.000 0.193 266 G HA3 -0.260 3.701 3.960 0.000 0.000 0.193 266 G C -0.246 174.700 174.900 0.076 0.000 0.999 266 G CA -0.175 44.954 45.100 0.049 0.000 0.659 266 G HN 0.348 nan 8.290 nan 0.000 0.503 267 F N 2.436 122.390 119.950 0.007 0.000 2.572 267 F HA 0.577 5.103 4.527 -0.000 0.000 0.370 267 F C 0.522 176.323 175.800 0.001 0.000 1.103 267 F CA 1.113 59.127 58.000 0.024 0.000 1.286 267 F CB 1.354 40.400 39.000 0.077 0.000 1.105 267 F HN 0.088 nan 8.300 nan 0.000 0.583 268 T N 4.443 118.405 114.554 -0.987 0.000 2.881 268 T HA 0.709 5.059 4.350 0.000 0.000 0.290 268 T C -0.232 173.846 174.700 -1.037 0.000 1.000 268 T CA 0.256 61.920 62.100 -0.726 0.000 0.978 268 T CB 0.798 69.460 68.868 -0.344 0.000 0.997 268 T HN 1.240 nan 8.240 nan 0.000 0.443 269 G N 2.757 111.196 108.800 -0.602 0.000 2.451 269 G HA2 0.535 4.495 3.960 0.000 0.000 0.083 269 G HA3 0.535 4.495 3.960 0.000 0.000 0.083 269 G C -1.024 173.847 174.900 -0.049 0.000 1.107 269 G CA 0.121 45.027 45.100 -0.324 0.000 1.117 269 G HN 1.308 nan 8.290 nan 0.000 0.454 270 A N -1.335 121.532 122.820 0.077 0.000 2.527 270 A HA 0.843 5.164 4.320 0.000 0.000 0.293 270 A C -1.877 175.851 177.584 0.240 0.000 1.117 270 A CA -0.531 51.544 52.037 0.064 0.000 0.723 270 A CB 1.524 20.441 19.000 -0.139 0.000 1.313 270 A HN 1.068 nan 8.150 nan 0.000 0.411 271 Y N -0.170 120.187 120.300 0.095 0.000 2.393 271 Y HA 0.623 5.174 4.550 0.000 0.000 0.341 271 Y C 0.557 176.481 175.900 0.041 0.000 0.988 271 Y CA -1.483 56.636 58.100 0.032 0.000 1.078 271 Y CB 1.954 40.431 38.460 0.029 0.000 1.203 271 Y HN 0.811 nan 8.280 nan 0.000 0.453 272 A N 5.439 128.372 122.820 0.188 0.000 2.527 272 A HA 0.483 4.803 4.320 0.000 0.000 0.313 272 A C -0.310 177.308 177.584 0.056 0.000 1.410 272 A CA -0.500 51.653 52.037 0.193 0.000 1.060 272 A CB -0.953 18.167 19.000 0.201 0.000 1.137 272 A HN 0.757 nan 8.150 nan 0.000 0.542 273 L N 2.365 123.556 121.223 -0.052 0.000 2.455 273 L HA 0.240 4.581 4.340 0.000 0.000 0.272 273 L C 0.341 177.251 176.870 0.068 0.000 1.174 273 L CA 0.496 55.303 54.840 -0.055 0.000 0.869 273 L CB 0.368 42.273 42.059 -0.256 0.000 1.130 273 L HN 0.581 nan 8.230 nan 0.000 0.474 274 K N 3.911 124.435 120.400 0.208 0.000 2.565 274 K HA 0.256 4.576 4.320 0.000 0.000 0.249 274 K C 0.855 177.524 176.600 0.116 0.000 0.958 274 K CA -0.556 55.858 56.287 0.213 0.000 0.806 274 K CB 2.432 34.956 32.500 0.041 0.000 1.194 274 K HN 0.584 nan 8.250 nan 0.000 0.434 275 I N -0.416 120.185 120.570 0.051 0.000 2.335 275 I HA -0.218 3.952 4.170 0.000 0.000 0.251 275 I C 1.823 177.830 176.117 -0.183 0.000 1.129 275 I CA 1.615 62.862 61.300 -0.089 0.000 1.402 275 I CB -0.192 37.689 38.000 -0.198 0.000 1.069 275 I HN 0.580 nan 8.210 nan 0.000 0.424 276 A N 1.768 124.384 122.820 -0.341 0.000 1.933 276 A HA -0.146 4.174 4.320 0.000 0.000 0.218 276 A C 2.383 179.611 177.584 -0.594 0.000 1.175 276 A CA 1.699 53.282 52.037 -0.755 0.000 0.628 276 A CB -0.480 17.634 19.000 -1.477 0.000 0.814 276 A HN 0.526 nan 8.150 nan 0.000 0.444 277 K N -0.609 119.626 120.400 -0.275 0.000 2.167 277 K HA 0.099 4.420 4.320 0.000 0.000 0.203 277 K C 2.064 178.670 176.600 0.010 0.000 1.052 277 K CA 0.939 57.206 56.287 -0.033 0.000 0.956 277 K CB -0.135 32.372 32.500 0.013 0.000 0.735 277 K HN 0.422 nan 8.250 nan 0.000 0.451 278 A N 0.234 123.048 122.820 -0.010 0.000 2.081 278 A HA 0.211 4.531 4.320 0.000 0.000 0.214 278 A C 1.395 178.989 177.584 0.017 0.000 1.158 278 A CA 1.001 53.051 52.037 0.022 0.000 0.724 278 A CB 0.106 19.128 19.000 0.037 0.000 0.826 278 A HN 0.376 nan 8.150 nan 0.000 0.463 279 G N -2.713 106.076 108.800 -0.018 0.000 2.143 279 G HA2 0.427 4.387 3.960 0.000 0.000 0.175 279 G HA3 0.427 4.387 3.960 0.000 0.000 0.175 279 G C 0.845 175.729 174.900 -0.027 0.000 1.004 279 G CA 0.197 45.294 45.100 -0.006 0.000 0.671 279 G HN 2.283 nan 8.290 nan 0.000 0.512 280 G N -1.674 107.092 108.800 -0.057 0.000 2.339 280 G HA2 0.460 4.420 3.960 0.000 0.000 0.381 280 G HA3 0.460 4.420 3.960 0.000 0.000 0.381 280 G C -1.734 173.114 174.900 -0.087 0.000 1.400 280 G CA 0.196 45.253 45.100 -0.072 0.000 1.002 280 G HN 0.218 nan 8.290 nan 0.000 0.633 281 P HA -0.060 nan 4.420 nan 0.000 0.218 281 P C 1.483 178.735 177.300 -0.081 0.000 1.149 281 P CA 1.447 64.454 63.100 -0.156 0.000 0.817 281 P CB 0.201 31.805 31.700 -0.159 0.000 0.785 282 N N -1.318 117.351 118.700 -0.051 0.000 2.278 282 N HA -0.052 4.688 4.740 0.000 0.000 0.181 282 N C 1.591 177.099 175.510 -0.003 0.000 1.023 282 N CA 0.818 53.855 53.050 -0.022 0.000 0.862 282 N CB -0.013 38.460 38.487 -0.023 0.000 1.003 282 N HN -0.073 nan 8.380 nan 0.000 0.431 283 S N 0.576 116.273 115.700 -0.006 0.000 2.383 283 S HA -0.096 4.374 4.470 0.000 0.000 0.229 283 S C 1.904 176.519 174.600 0.025 0.000 1.030 283 S CA 0.645 58.849 58.200 0.007 0.000 1.002 283 S CB -0.337 62.867 63.200 0.007 0.000 0.829 283 S HN 0.250 nan 8.310 nan 0.000 0.467 284 V N 2.046 121.985 119.914 0.041 0.000 2.759 284 V HA -0.066 4.054 4.120 0.000 0.000 0.256 284 V C 1.704 177.873 176.094 0.125 0.000 1.080 284 V CA 1.238 63.599 62.300 0.101 0.000 1.101 284 V CB -0.500 31.429 31.823 0.175 0.000 0.698 284 V HN 0.470 nan 8.190 nan 0.000 0.477 285 L N -0.021 121.259 121.223 0.095 0.000 2.191 285 L HA -0.085 4.255 4.340 0.000 0.000 0.212 285 L C 2.726 179.636 176.870 0.067 0.000 1.103 285 L CA 1.328 56.225 54.840 0.095 0.000 0.769 285 L CB -0.842 41.257 42.059 0.068 0.000 0.908 285 L HN 0.416 nan 8.230 nan 0.000 0.438 286 A N 0.163 123.006 122.820 0.038 0.000 1.902 286 A HA -0.194 4.127 4.320 0.000 0.000 0.217 286 A C 2.321 179.923 177.584 0.030 0.000 1.181 286 A CA 1.348 53.391 52.037 0.010 0.000 0.623 286 A CB -0.644 18.335 19.000 -0.035 0.000 0.818 286 A HN 0.371 nan 8.150 nan 0.000 0.443 287 L N -0.689 120.563 121.223 0.049 0.000 2.046 287 L HA -0.198 4.142 4.340 0.000 0.000 0.208 287 L C 2.915 179.868 176.870 0.138 0.000 1.077 287 L CA 1.560 56.453 54.840 0.089 0.000 0.747 287 L CB -0.554 41.558 42.059 0.089 0.000 0.896 287 L HN 0.446 nan 8.230 nan 0.000 0.432 288 A N 0.066 122.964 122.820 0.129 0.000 1.892 288 A HA -0.284 4.037 4.320 0.000 0.000 0.218 288 A C 2.154 179.796 177.584 0.097 0.000 1.188 288 A CA 1.981 54.093 52.037 0.125 0.000 0.631 288 A CB -0.511 18.566 19.000 0.128 0.000 0.822 288 A HN 0.380 nan 8.150 nan 0.000 0.447 289 R N -0.706 119.842 120.500 0.079 0.000 2.115 289 R HA 0.005 4.345 4.340 0.000 0.000 0.230 289 R C 1.958 178.298 176.300 0.068 0.000 1.111 289 R CA 1.198 57.334 56.100 0.061 0.000 0.976 289 R CB -0.987 29.339 30.300 0.043 0.000 0.870 289 R HN 0.388 nan 8.270 nan 0.000 0.445 290 V N 0.493 120.459 119.914 0.087 0.000 2.358 290 V HA -0.212 3.908 4.120 0.000 0.000 0.246 290 V C 2.260 178.434 176.094 0.133 0.000 1.047 290 V CA 1.887 64.258 62.300 0.117 0.000 1.035 290 V CB -0.846 31.062 31.823 0.142 0.000 0.658 290 V HN 0.390 nan 8.190 nan 0.000 0.452 291 A N -0.682 122.224 122.820 0.142 0.000 1.865 291 A HA -0.321 4.000 4.320 0.000 0.000 0.217 291 A C 2.178 179.766 177.584 0.007 0.000 1.191 291 A CA 2.170 54.241 52.037 0.056 0.000 0.623 291 A CB -0.592 18.438 19.000 0.050 0.000 0.826 291 A HN 0.617 nan 8.150 nan 0.000 0.444 292 Q N -0.815 119.004 119.800 0.031 0.000 2.096 292 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 292 Q C 2.406 178.419 176.000 0.023 0.000 0.982 292 Q CA 1.497 57.312 55.803 0.020 0.000 0.850 292 Q CB -0.425 28.330 28.738 0.029 0.000 0.901 292 Q HN 0.703 nan 8.270 nan 0.000 0.422 293 A N 0.826 123.671 122.820 0.041 0.000 1.972 293 A HA -0.075 4.246 4.320 0.000 0.000 0.219 293 A C 2.097 179.709 177.584 0.047 0.000 1.169 293 A CA 1.553 53.618 52.037 0.047 0.000 0.635 293 A CB -0.448 18.590 19.000 0.064 0.000 0.810 293 A HN 0.382 nan 8.150 nan 0.000 0.446 294 A N -1.948 120.901 122.820 0.047 0.000 2.275 294 A HA 0.434 4.754 4.320 0.000 0.000 0.212 294 A C 1.688 179.270 177.584 -0.004 0.000 1.201 294 A CA 1.082 53.140 52.037 0.035 0.000 0.843 294 A CB -0.838 18.192 19.000 0.050 0.000 0.873 294 A HN 1.862 nan 8.150 nan 0.000 0.492 295 G N -0.545 108.248 108.800 -0.013 0.000 2.147 295 G HA2 -0.189 3.772 3.960 0.000 0.000 0.244 295 G HA3 -0.189 3.772 3.960 0.000 0.000 0.244 295 G C -0.025 174.841 174.900 -0.056 0.000 1.005 295 G CA 0.217 45.301 45.100 -0.027 0.000 0.713 295 G HN 0.322 nan 8.290 nan 0.000 0.515 296 I N 1.533 122.045 120.570 -0.098 0.000 2.395 296 I HA 0.448 4.619 4.170 0.000 0.000 0.289 296 I C 1.467 177.523 176.117 -0.101 0.000 1.023 296 I CA 0.003 61.192 61.300 -0.185 0.000 1.350 296 I CB 0.660 38.362 38.000 -0.497 0.000 1.409 296 I HN 0.145 nan 8.210 nan 0.000 0.507 297 G N 6.559 115.360 108.800 0.001 0.000 2.606 297 G HA2 0.489 4.449 3.960 0.000 0.000 0.252 297 G HA3 0.489 4.449 3.960 0.000 0.000 0.252 297 G C -0.387 174.607 174.900 0.157 0.000 1.206 297 G CA -0.550 44.636 45.100 0.143 0.000 0.861 297 G HN 0.516 nan 8.290 nan 0.000 0.561 298 L N -0.059 121.287 121.223 0.204 0.000 2.342 298 L HA 0.530 4.870 4.340 0.000 0.000 0.271 298 L C -1.088 175.939 176.870 0.261 0.000 1.008 298 L CA -1.047 53.891 54.840 0.163 0.000 0.818 298 L CB 2.215 44.305 42.059 0.050 0.000 1.296 298 L HN 0.563 nan 8.230 nan 0.000 0.427 299 Y N 0.384 120.655 120.300 -0.048 0.000 2.433 299 Y HA 0.574 5.124 4.550 0.000 0.000 0.337 299 Y C 0.052 175.688 175.900 -0.440 0.000 1.026 299 Y CA -1.018 57.014 58.100 -0.113 0.000 1.037 299 Y CB 2.174 40.617 38.460 -0.028 0.000 1.245 299 Y HN 0.534 nan 8.280 nan 0.000 0.443 300 G N 3.634 111.822 108.800 -1.020 0.000 2.530 300 G HA2 0.454 4.415 3.960 0.000 0.000 0.313 300 G HA3 0.454 4.415 3.960 0.000 0.000 0.313 300 G C 0.163 174.456 174.900 -1.011 0.000 0.971 300 G CA 0.067 44.201 45.100 -1.611 0.000 1.237 300 G HN 0.966 nan 8.290 nan 0.000 0.446 301 G N 0.434 108.871 108.800 -0.604 0.000 2.528 301 G HA2 0.577 4.537 3.960 0.000 0.000 0.289 301 G HA3 0.577 4.537 3.960 0.000 0.000 0.289 301 G C -0.377 174.518 174.900 -0.008 0.000 1.192 301 G CA -0.221 44.719 45.100 -0.267 0.000 0.921 301 G HN 0.668 nan 8.290 nan 0.000 0.512 302 T N -0.642 113.866 114.554 -0.076 0.000 2.883 302 T HA 0.475 4.825 4.350 0.000 0.000 0.296 302 T C 0.165 174.819 174.700 -0.076 0.000 1.117 302 T CA -0.717 61.335 62.100 -0.081 0.000 1.006 302 T CB 1.455 70.196 68.868 -0.212 0.000 1.191 302 T HN 0.183 nan 8.240 nan 0.000 0.508 303 M N 3.066 122.631 119.600 -0.059 0.000 2.589 303 M HA 0.409 4.889 4.480 0.000 0.000 0.344 303 M C 0.240 176.531 176.300 -0.014 0.000 1.168 303 M CA 0.089 55.386 55.300 -0.004 0.000 0.956 303 M CB -0.833 31.801 32.600 0.057 0.000 1.370 303 M HN 0.693 nan 8.290 nan 0.000 0.518 304 L N 0.631 121.806 121.223 -0.080 0.000 3.512 304 L HA -0.240 4.100 4.340 0.000 0.000 0.446 304 L C -0.274 176.584 176.870 -0.020 0.000 1.290 304 L CA 0.139 54.938 54.840 -0.069 0.000 0.871 304 L CB -1.747 40.300 42.059 -0.021 0.000 1.767 304 L HN 0.281 nan 8.230 nan 0.000 0.855 305 E N 0.241 120.423 120.200 -0.029 0.000 2.408 305 E HA 0.430 4.781 4.350 0.000 0.000 0.259 305 E C 1.025 177.632 176.600 0.012 0.000 1.110 305 E CA 0.779 57.176 56.400 -0.004 0.000 0.929 305 E CB 0.522 30.209 29.700 -0.022 0.000 0.971 305 E HN 0.292 nan 8.360 nan 0.000 0.438 306 G N -0.041 108.772 108.800 0.022 0.000 2.504 306 G HA2 0.013 3.974 3.960 0.000 0.000 0.257 306 G HA3 0.013 3.974 3.960 0.000 0.000 0.257 306 G C 0.733 175.660 174.900 0.045 0.000 1.451 306 G CA 0.004 45.123 45.100 0.032 0.000 1.059 306 G HN 0.495 nan 8.290 nan 0.000 0.550 307 T N -0.399 114.187 114.554 0.054 0.000 2.746 307 T HA -0.135 4.216 4.350 0.000 0.000 0.267 307 T C 2.560 177.279 174.700 0.032 0.000 1.039 307 T CA 1.359 63.496 62.100 0.062 0.000 1.142 307 T CB -0.251 68.654 68.868 0.062 0.000 0.866 307 T HN 0.119 nan 8.240 nan 0.000 0.444 308 V N 1.395 121.324 119.914 0.024 0.000 2.261 308 V HA -0.104 4.017 4.120 0.000 0.000 0.246 308 V C 2.894 178.984 176.094 -0.006 0.000 1.047 308 V CA 2.110 64.419 62.300 0.014 0.000 1.015 308 V CB -1.332 30.505 31.823 0.023 0.000 0.642 308 V HN 0.591 nan 8.190 nan 0.000 0.446 309 G N -1.058 107.736 108.800 -0.011 0.000 2.422 309 G HA2 -0.198 3.762 3.960 0.000 0.000 0.218 309 G HA3 -0.198 3.762 3.960 0.000 0.000 0.218 309 G C 1.685 176.542 174.900 -0.072 0.000 1.140 309 G CA 1.404 46.477 45.100 -0.045 0.000 0.775 309 G HN 0.468 nan 8.290 nan 0.000 0.545 310 T N 0.254 114.786 114.554 -0.037 0.000 2.737 310 T HA -0.103 4.247 4.350 0.000 0.000 0.265 310 T C 2.363 177.015 174.700 -0.081 0.000 1.038 310 T CA 1.187 63.265 62.100 -0.037 0.000 1.144 310 T CB -0.330 68.565 68.868 0.046 0.000 0.866 310 T HN 0.046 nan 8.240 nan 0.000 0.434 311 V N 1.373 121.254 119.914 -0.054 0.000 2.515 311 V HA -0.058 4.063 4.120 0.000 0.000 0.250 311 V C 2.602 178.667 176.094 -0.048 0.000 1.058 311 V CA 1.716 63.969 62.300 -0.078 0.000 1.064 311 V CB -0.927 30.882 31.823 -0.023 0.000 0.675 311 V HN 0.506 nan 8.190 nan 0.000 0.461 312 A N -0.643 122.147 122.820 -0.050 0.000 1.877 312 A HA -0.194 4.126 4.320 0.000 0.000 0.216 312 A C 2.457 179.883 177.584 -0.264 0.000 1.186 312 A CA 2.414 54.403 52.037 -0.080 0.000 0.620 312 A CB -0.853 18.083 19.000 -0.107 0.000 0.822 312 A HN 0.584 nan 8.150 nan 0.000 0.443 313 S N -0.249 115.198 115.700 -0.421 0.000 2.368 313 S HA -0.106 4.364 4.470 0.000 0.000 0.225 313 S C 1.785 175.675 174.600 -1.183 0.000 1.030 313 S CA 1.311 58.953 58.200 -0.930 0.000 0.999 313 S CB -0.377 62.393 63.200 -0.715 0.000 0.844 313 S HN 0.346 nan 8.310 nan 0.000 0.459 314 L N 1.861 122.723 121.223 -0.602 0.000 2.042 314 L HA -0.123 4.218 4.340 0.000 0.000 0.210 314 L C 2.275 178.971 176.870 -0.289 0.000 1.076 314 L CA 1.763 56.387 54.840 -0.360 0.000 0.749 314 L CB -1.492 40.416 42.059 -0.252 0.000 0.893 314 L HN 0.416 nan 8.230 nan 0.000 0.432 315 H N -1.019 117.910 119.070 -0.235 0.000 2.352 315 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 315 H C 2.041 177.287 175.328 -0.136 0.000 1.097 315 H CA 1.572 57.530 56.048 -0.150 0.000 1.311 315 H CB 0.052 29.730 29.762 -0.141 0.000 1.377 315 H HN 0.354 nan 8.280 nan 0.000 0.504 316 A N 0.630 123.364 122.820 -0.144 0.000 1.873 316 A HA -0.146 4.174 4.320 0.000 0.000 0.215 316 A C 2.413 180.091 177.584 0.158 0.000 1.186 316 A CA 0.962 52.942 52.037 -0.094 0.000 0.616 316 A CB -1.254 17.560 19.000 -0.310 0.000 0.823 316 A HN 0.518 nan 8.150 nan 0.000 0.442 317 W N 0.962 122.256 121.300 -0.009 0.000 2.350 317 W HA -0.200 4.460 4.660 -0.001 0.000 0.289 317 W C 2.792 179.301 176.519 -0.017 0.000 1.215 317 W CA 0.877 58.210 57.345 -0.020 0.000 1.236 317 W CB -0.221 29.212 29.460 -0.045 0.000 1.130 317 W HN 0.534 nan 8.180 nan 0.000 0.541 318 S N 0.106 115.919 115.700 0.189 0.000 2.442 318 S HA -0.213 4.258 4.470 0.000 0.000 0.236 318 S C 1.629 176.282 174.600 0.089 0.000 1.007 318 S CA 1.669 59.927 58.200 0.095 0.000 0.965 318 S CB -1.096 62.117 63.200 0.022 0.000 0.773 318 S HN 0.315 nan 8.310 nan 0.000 0.504 319 T N -0.615 114.005 114.554 0.109 0.000 3.113 319 T HA 0.394 4.744 4.350 0.000 0.000 0.256 319 T C 0.395 175.147 174.700 0.087 0.000 1.131 319 T CA -0.243 61.908 62.100 0.085 0.000 1.074 319 T CB -0.515 68.401 68.868 0.080 0.000 0.944 319 T HN 0.380 nan 8.240 nan 0.000 0.516 320 L N 1.583 122.873 121.223 0.111 0.000 2.341 320 L HA 0.571 4.912 4.340 0.000 0.000 0.267 320 L C -2.560 174.342 176.870 0.054 0.000 1.009 320 L CA -2.927 51.965 54.840 0.086 0.000 0.819 320 L CB 1.937 44.063 42.059 0.111 0.000 1.323 320 L HN -0.178 nan 8.230 nan 0.000 0.425 321 P HA 0.226 nan 4.420 nan 0.000 0.287 321 P C -1.061 176.238 177.300 -0.002 0.000 1.307 321 P CA -0.067 63.037 63.100 0.006 0.000 0.777 321 P CB 0.686 32.383 31.700 -0.005 0.000 0.883 322 L N 3.842 125.059 121.223 -0.010 0.000 2.321 322 L HA 0.247 4.587 4.340 0.000 0.000 0.272 322 L C 2.071 178.921 176.870 -0.034 0.000 1.050 322 L CA -0.340 54.493 54.840 -0.012 0.000 0.893 322 L CB 0.863 42.901 42.059 -0.036 0.000 1.272 322 L HN 0.427 nan 8.230 nan 0.000 0.435 323 Q N 2.265 122.011 119.800 -0.090 0.000 2.112 323 Q HA -0.196 4.144 4.340 0.000 0.000 0.206 323 Q C 0.831 176.568 176.000 -0.439 0.000 0.987 323 Q CA 2.297 57.910 55.803 -0.316 0.000 0.858 323 Q CB 0.075 28.535 28.738 -0.463 0.000 0.905 323 Q HN 0.707 nan 8.270 nan 0.000 0.420 324 W N 0.101 121.431 121.300 0.050 0.000 3.316 324 W HA 0.345 5.006 4.660 0.001 0.000 0.327 324 W C 1.026 177.672 176.519 0.212 0.000 1.232 324 W CA 0.241 57.644 57.345 0.096 0.000 1.805 324 W CB 0.155 29.638 29.460 0.039 0.000 1.090 324 W HN 0.426 nan 8.180 nan 0.000 0.654 325 G N 1.019 109.963 108.800 0.241 0.000 2.553 325 G HA2 -0.124 3.836 3.960 0.000 0.000 0.242 325 G HA3 -0.124 3.836 3.960 0.000 0.000 0.242 325 G C -0.019 174.911 174.900 0.050 0.000 1.277 325 G CA 0.182 45.376 45.100 0.158 0.000 0.910 325 G HN 0.425 nan 8.290 nan 0.000 0.576 326 T N -2.648 111.902 114.554 -0.008 0.000 2.841 326 T HA 0.721 5.072 4.350 0.000 0.000 0.296 326 T C -0.046 174.604 174.700 -0.082 0.000 1.166 326 T CA 0.451 62.401 62.100 -0.251 0.000 1.007 326 T CB 2.055 70.867 68.868 -0.094 0.000 1.253 326 T HN 1.533 nan 8.240 nan 0.000 0.511 327 E N 1.339 121.417 120.200 -0.203 0.000 3.385 327 E HA 0.258 4.608 4.350 0.000 0.000 0.206 327 E C -0.112 176.308 176.600 -0.301 0.000 0.997 327 E CA -0.811 55.563 56.400 -0.043 0.000 1.278 327 E CB 0.176 29.866 29.700 -0.017 0.000 1.165 327 E HN 0.359 nan 8.360 nan 0.000 0.452 328 M N 1.826 121.401 119.600 -0.042 0.000 3.690 328 M HA 0.200 4.680 4.480 0.000 0.000 0.209 328 M C -0.321 176.068 176.300 0.147 0.000 1.403 328 M CA -0.349 54.947 55.300 -0.005 0.000 1.621 328 M CB -1.489 31.200 32.600 0.148 0.000 1.056 328 M HN 0.364 nan 8.290 nan 0.000 0.593 329 F N -2.415 117.631 119.950 0.159 0.000 2.653 329 F HA 0.506 5.034 4.527 0.001 0.000 0.304 329 F C 1.435 177.254 175.800 0.031 0.000 1.092 329 F CA -0.729 57.312 58.000 0.070 0.000 1.279 329 F CB -1.233 37.889 39.000 0.204 0.000 1.044 329 F HN 0.298 nan 8.300 nan 0.000 0.564 330 G N 2.294 111.074 108.800 -0.033 0.000 2.574 330 G HA2 -0.261 3.699 3.960 0.000 0.000 0.220 330 G HA3 -0.261 3.699 3.960 0.000 0.000 0.220 330 G C -0.617 174.349 174.900 0.110 0.000 1.173 330 G CA 1.281 46.406 45.100 0.041 0.000 0.772 330 G HN 0.317 nan 8.290 nan 0.000 0.585 331 P HA -0.020 nan 4.420 nan 0.000 0.218 331 P C 1.827 179.157 177.300 0.049 0.000 1.148 331 P CA 0.623 63.782 63.100 0.099 0.000 0.822 331 P CB -0.134 31.685 31.700 0.199 0.000 0.784 332 L N -1.645 119.566 121.223 -0.020 0.000 2.549 332 L HA -0.066 4.274 4.340 0.000 0.000 0.229 332 L C 1.767 178.704 176.870 0.111 0.000 1.158 332 L CA 0.753 55.571 54.840 -0.037 0.000 0.842 332 L CB -0.621 41.347 42.059 -0.151 0.000 0.952 332 L HN 0.041 nan 8.230 nan 0.000 0.452 333 L N -0.692 120.624 121.223 0.155 0.000 2.585 333 L HA 0.181 4.521 4.340 0.000 0.000 0.226 333 L C 0.532 177.451 176.870 0.082 0.000 1.113 333 L CA -0.074 54.856 54.840 0.151 0.000 0.876 333 L CB 0.134 42.292 42.059 0.166 0.000 1.072 333 L HN 0.151 nan 8.230 nan 0.000 0.468 334 L N -0.222 121.035 121.223 0.057 0.000 2.343 334 L HA 0.314 4.655 4.340 0.000 0.000 0.275 334 L C 1.129 178.009 176.870 0.018 0.000 1.056 334 L CA -0.576 54.277 54.840 0.021 0.000 0.804 334 L CB 1.250 43.309 42.059 -0.001 0.000 1.203 334 L HN -0.105 nan 8.230 nan 0.000 0.440 335 K N 0.370 120.773 120.400 0.005 0.000 2.314 335 K HA 0.120 4.441 4.320 0.000 0.000 0.198 335 K C -0.310 176.304 176.600 0.023 0.000 1.045 335 K CA 0.657 56.958 56.287 0.023 0.000 0.988 335 K CB 0.117 32.639 32.500 0.037 0.000 0.783 335 K HN 0.580 nan 8.250 nan 0.000 0.484 336 D N -0.653 119.731 120.400 -0.026 0.000 2.648 336 D HA 0.227 4.867 4.640 0.000 0.000 0.244 336 D C -1.683 174.548 176.300 -0.114 0.000 1.244 336 D CA -0.466 53.521 54.000 -0.022 0.000 0.772 336 D CB 1.720 42.557 40.800 0.062 0.000 1.379 336 D HN -0.216 nan 8.370 nan 0.000 0.428 337 D N 0.076 120.452 120.400 -0.040 0.000 2.614 337 D HA 0.342 4.982 4.640 0.000 0.000 0.264 337 D C 0.366 176.678 176.300 0.020 0.000 1.092 337 D CA -0.449 53.524 54.000 -0.044 0.000 1.071 337 D CB 1.463 42.267 40.800 0.007 0.000 1.443 337 D HN 0.300 nan 8.370 nan 0.000 0.528 338 I N -0.455 120.127 120.570 0.021 0.000 3.884 338 I HA 0.221 4.392 4.170 0.000 0.000 0.330 338 I C 0.264 176.389 176.117 0.014 0.000 1.451 338 I CA -0.541 60.784 61.300 0.041 0.000 1.165 338 I CB -0.304 37.704 38.000 0.013 0.000 1.097 338 I HN 0.098 nan 8.210 nan 0.000 0.404 339 V N -1.593 118.335 119.914 0.023 0.000 2.850 339 V HA 0.677 4.797 4.120 0.000 0.000 0.315 339 V C 1.329 177.435 176.094 0.019 0.000 1.064 339 V CA 0.128 62.437 62.300 0.016 0.000 0.979 339 V CB 1.332 33.169 31.823 0.022 0.000 1.039 339 V HN 0.287 nan 8.190 nan 0.000 0.452 340 S N 1.809 117.515 115.700 0.010 0.000 2.395 340 S HA 0.115 4.585 4.470 0.000 0.000 0.225 340 S C 0.594 175.204 174.600 0.016 0.000 1.027 340 S CA 0.708 58.914 58.200 0.010 0.000 0.965 340 S CB -0.178 63.023 63.200 0.002 0.000 0.812 340 S HN 0.939 nan 8.310 nan 0.000 0.482 341 V N 4.079 124.003 119.914 0.017 0.000 2.525 341 V HA 0.499 4.619 4.120 0.000 0.000 0.299 341 V C -2.393 173.717 176.094 0.027 0.000 1.034 341 V CA -1.939 60.373 62.300 0.020 0.000 0.863 341 V CB 1.908 33.738 31.823 0.011 0.000 0.999 341 V HN 0.286 nan 8.190 nan 0.000 0.423 342 P HA 0.413 nan 4.420 nan 0.000 0.276 342 P C -0.484 176.841 177.300 0.043 0.000 1.261 342 P CA -0.480 62.659 63.100 0.064 0.000 0.800 342 P CB 1.320 33.078 31.700 0.097 0.000 1.066 343 L N 0.481 121.728 121.223 0.041 0.000 2.464 343 L HA 0.230 4.570 4.340 0.000 0.000 0.264 343 L C 1.103 177.918 176.870 -0.092 0.000 1.199 343 L CA -0.102 54.680 54.840 -0.097 0.000 0.818 343 L CB 0.040 41.945 42.059 -0.257 0.000 1.102 343 L HN 0.476 nan 8.230 nan 0.000 0.473 344 T N -1.181 113.258 114.554 -0.191 0.000 2.743 344 T HA 0.550 4.900 4.350 0.000 0.000 0.292 344 T C -0.604 173.968 174.700 -0.212 0.000 0.972 344 T CA -0.518 61.525 62.100 -0.095 0.000 0.967 344 T CB 0.245 69.080 68.868 -0.055 0.000 0.926 344 T HN 0.134 nan 8.240 nan 0.000 0.459 345 F N 1.959 121.913 119.950 0.006 0.000 2.443 345 F HA 0.741 5.268 4.527 0.001 0.000 0.335 345 F C 0.570 176.367 175.800 -0.006 0.000 1.104 345 F CA -0.536 57.469 58.000 0.009 0.000 1.013 345 F CB 1.848 40.860 39.000 0.021 0.000 1.136 345 F HN 1.001 nan 8.300 nan 0.000 0.470 346 A N 2.204 125.120 122.820 0.160 0.000 2.582 346 A HA 0.478 4.798 4.320 0.000 0.000 0.297 346 A C -0.613 177.006 177.584 0.059 0.000 1.059 346 A CA -0.796 51.291 52.037 0.082 0.000 0.705 346 A CB 0.765 19.791 19.000 0.043 0.000 1.279 346 A HN 0.817 nan 8.150 nan 0.000 0.404 347 D N 1.090 121.511 120.400 0.036 0.000 2.697 347 D HA 0.063 4.704 4.640 0.000 0.000 0.235 347 D C 1.250 177.568 176.300 0.030 0.000 1.167 347 D CA 2.930 56.943 54.000 0.023 0.000 0.656 347 D CB -1.008 39.800 40.800 0.014 0.000 1.025 347 D HN 2.540 nan 8.370 nan 0.000 0.419 348 G N -0.158 108.668 108.800 0.043 0.000 2.203 348 G HA2 -0.338 3.622 3.960 0.000 0.000 0.263 348 G HA3 -0.338 3.622 3.960 0.000 0.000 0.263 348 G C 0.233 175.190 174.900 0.094 0.000 1.012 348 G CA 0.954 46.088 45.100 0.055 0.000 0.749 348 G HN 0.690 nan 8.290 nan 0.000 0.512 349 Q N -1.999 117.868 119.800 0.110 0.000 2.544 349 Q HA 0.759 5.099 4.340 0.000 0.000 0.291 349 Q C -1.080 174.967 176.000 0.078 0.000 1.068 349 Q CA -0.905 54.951 55.803 0.089 0.000 0.785 349 Q CB 3.162 31.919 28.738 0.031 0.000 1.481 349 Q HN 0.491 nan 8.270 nan 0.000 0.430 350 V N 0.231 120.121 119.914 -0.040 0.000 2.709 350 V HA 0.805 4.925 4.120 0.000 0.000 0.308 350 V C -1.440 174.515 176.094 -0.232 0.000 1.062 350 V CA -0.471 61.649 62.300 -0.300 0.000 0.901 350 V CB 1.705 33.226 31.823 -0.505 0.000 1.003 350 V HN 0.873 nan 8.190 nan 0.000 0.425 351 A N 6.160 128.825 122.820 -0.258 0.000 2.362 351 A HA 0.656 4.977 4.320 0.000 0.000 0.276 351 A C -0.603 176.861 177.584 -0.201 0.000 1.153 351 A CA -0.293 51.639 52.037 -0.175 0.000 0.813 351 A CB 0.583 19.503 19.000 -0.133 0.000 1.081 351 A HN 1.155 nan 8.150 nan 0.000 0.507 352 L N 5.382 126.501 121.223 -0.173 0.000 2.281 352 L HA 0.483 4.823 4.340 0.000 0.000 0.285 352 L C -2.256 174.515 176.870 -0.165 0.000 1.074 352 L CA -1.580 53.124 54.840 -0.226 0.000 0.817 352 L CB 0.615 42.531 42.059 -0.238 0.000 1.168 352 L HN 0.397 nan 8.230 nan 0.000 0.434 353 P HA 0.129 nan 4.420 nan 0.000 0.269 353 P C -0.780 176.537 177.300 0.029 0.000 1.209 353 P CA -0.070 63.007 63.100 -0.038 0.000 0.776 353 P CB 0.474 32.179 31.700 0.008 0.000 0.876 354 Q N 0.122 119.942 119.800 0.034 0.000 2.115 354 Q HA 0.136 4.476 4.340 0.000 0.000 0.249 354 Q C 0.198 176.221 176.000 0.038 0.000 0.830 354 Q CA 0.117 55.952 55.803 0.053 0.000 1.104 354 Q CB 0.296 29.047 28.738 0.022 0.000 1.207 354 Q HN 0.570 nan 8.270 nan 0.000 0.464 355 T N -2.495 112.080 114.554 0.036 0.000 2.862 355 T HA 0.579 4.929 4.350 0.000 0.000 0.276 355 T C -2.552 172.152 174.700 0.006 0.000 0.974 355 T CA -2.139 59.971 62.100 0.015 0.000 0.966 355 T CB 1.157 70.031 68.868 0.010 0.000 1.072 355 T HN -0.177 nan 8.240 nan 0.000 0.538 356 P HA 0.333 nan 4.420 nan 0.000 0.265 356 P C 0.986 178.259 177.300 -0.045 0.000 1.187 356 P CA 1.584 64.668 63.100 -0.026 0.000 0.766 356 P CB -0.174 31.514 31.700 -0.020 0.000 0.820 357 G N 1.836 110.586 108.800 -0.084 0.000 2.539 357 G HA2 -0.307 3.654 3.960 0.000 0.000 0.256 357 G HA3 -0.307 3.654 3.960 0.000 0.000 0.256 357 G C 0.775 175.556 174.900 -0.198 0.000 1.233 357 G CA 0.026 45.052 45.100 -0.124 0.000 0.936 357 G HN 0.456 nan 8.290 nan 0.000 0.571 358 L N 1.347 122.481 121.223 -0.147 0.000 2.201 358 L HA 0.264 4.605 4.340 0.000 0.000 0.212 358 L C 2.618 179.562 176.870 0.124 0.000 1.105 358 L CA 1.693 56.482 54.840 -0.085 0.000 0.775 358 L CB -0.604 41.445 42.059 -0.017 0.000 0.913 358 L HN 2.210 nan 8.230 nan 0.000 0.440 359 G N -0.019 108.809 108.800 0.047 0.000 2.159 359 G HA2 -0.207 3.754 3.960 0.000 0.000 0.227 359 G HA3 -0.207 3.754 3.960 0.000 0.000 0.227 359 G C 0.111 175.031 174.900 0.032 0.000 0.986 359 G CA 0.033 45.167 45.100 0.057 0.000 0.651 359 G HN 0.300 nan 8.290 nan 0.000 0.523 360 V N -3.215 116.715 119.914 0.025 0.000 3.102 360 V HA 1.002 5.122 4.120 0.000 0.000 0.312 360 V C -0.605 175.495 176.094 0.010 0.000 1.135 360 V CA -1.072 61.237 62.300 0.016 0.000 1.022 360 V CB 2.185 34.020 31.823 0.020 0.000 1.056 360 V HN 0.434 nan 8.190 nan 0.000 0.436 361 E N 1.049 121.253 120.200 0.007 0.000 2.367 361 E HA 0.646 4.996 4.350 0.000 0.000 0.273 361 E C -1.507 175.091 176.600 -0.004 0.000 0.903 361 E CA -0.827 55.575 56.400 0.003 0.000 0.764 361 E CB 1.996 31.697 29.700 0.001 0.000 1.252 361 E HN 0.921 nan 8.360 nan 0.000 0.446 362 L N 2.959 124.175 121.223 -0.012 0.000 2.410 362 L HA 0.253 4.594 4.340 0.000 0.000 0.273 362 L C -0.427 176.411 176.870 -0.053 0.000 1.152 362 L CA 0.486 55.303 54.840 -0.039 0.000 0.855 362 L CB 0.633 42.658 42.059 -0.057 0.000 1.129 362 L HN 0.457 nan 8.230 nan 0.000 0.463 363 D N 4.300 124.666 120.400 -0.057 0.000 2.479 363 D HA 0.065 4.705 4.640 0.000 0.000 0.218 363 D C 0.816 177.051 176.300 -0.109 0.000 1.131 363 D CA -0.064 53.905 54.000 -0.051 0.000 0.916 363 D CB 0.649 41.441 40.800 -0.013 0.000 1.022 363 D HN 0.669 nan 8.370 nan 0.000 0.515 364 E N 1.893 122.010 120.200 -0.138 0.000 2.130 364 E HA -0.210 4.140 4.350 0.000 0.000 0.196 364 E C 0.718 177.194 176.600 -0.207 0.000 0.998 364 E CA 1.107 57.355 56.400 -0.255 0.000 0.806 364 E CB 0.319 29.935 29.700 -0.139 0.000 0.738 364 E HN 0.505 nan 8.360 nan 0.000 0.459 365 D N 0.631 121.001 120.400 -0.051 0.000 2.097 365 D HA -0.121 4.519 4.640 0.000 0.000 0.195 365 D C 1.754 178.053 176.300 -0.002 0.000 0.989 365 D CA 1.121 55.127 54.000 0.010 0.000 0.827 365 D CB -0.086 40.704 40.800 -0.017 0.000 0.966 365 D HN 0.094 nan 8.370 nan 0.000 0.456 366 K N -0.039 120.358 120.400 -0.006 0.000 2.097 366 K HA -0.083 4.237 4.320 0.000 0.000 0.205 366 K C 2.027 178.695 176.600 0.113 0.000 1.050 366 K CA 0.223 56.569 56.287 0.098 0.000 0.938 366 K CB -0.157 32.458 32.500 0.192 0.000 0.718 366 K HN 0.047 nan 8.250 nan 0.000 0.442 367 L N 1.292 122.456 121.223 -0.098 0.000 1.989 367 L HA -0.217 4.123 4.340 0.000 0.000 0.211 367 L C 2.176 178.881 176.870 -0.276 0.000 1.071 367 L CA 1.964 56.637 54.840 -0.279 0.000 0.749 367 L CB -0.600 41.071 42.059 -0.646 0.000 0.890 367 L HN 0.249 nan 8.230 nan 0.000 0.431 368 H N -1.576 117.409 119.070 -0.142 0.000 2.357 368 H HA -0.152 4.404 4.556 0.001 0.000 0.301 368 H C 2.093 177.405 175.328 -0.027 0.000 1.082 368 H CA 1.764 57.752 56.048 -0.100 0.000 1.342 368 H CB -0.661 29.060 29.762 -0.068 0.000 1.389 368 H HN 0.433 nan 8.280 nan 0.000 0.511 369 F N 1.277 121.177 119.950 -0.084 0.000 2.095 369 F HA -0.264 4.264 4.527 0.000 0.000 0.298 369 F C 1.666 177.304 175.800 -0.270 0.000 1.104 369 F CA 1.346 59.197 58.000 -0.248 0.000 1.232 369 F CB -0.519 38.195 39.000 -0.477 0.000 0.987 369 F HN 0.011 nan 8.300 nan 0.000 0.475 370 Y N -0.113 120.156 120.300 -0.053 0.000 2.511 370 Y HA 0.154 4.705 4.550 0.000 0.000 0.279 370 Y C 1.142 176.993 175.900 -0.083 0.000 1.157 370 Y CA 0.047 58.063 58.100 -0.139 0.000 1.300 370 Y CB -1.237 37.210 38.460 -0.021 0.000 1.052 370 Y HN -0.256 nan 8.280 nan 0.000 0.529 371 T N 1.539 116.133 114.554 0.066 0.000 2.902 371 T HA -0.035 4.315 4.350 0.000 0.000 0.301 371 T C 1.517 176.259 174.700 0.071 0.000 1.012 371 T CA -0.076 62.078 62.100 0.091 0.000 1.151 371 T CB 0.879 69.811 68.868 0.107 0.000 0.946 371 T HN 0.367 nan 8.240 nan 0.000 0.542 372 R N 2.511 123.066 120.500 0.092 0.000 2.088 372 R HA -0.074 4.266 4.340 0.000 0.000 0.232 372 R C 0.979 177.312 176.300 0.054 0.000 1.136 372 R CA 1.580 57.717 56.100 0.062 0.000 0.926 372 R CB 0.132 30.474 30.300 0.071 0.000 0.837 372 R HN 0.789 nan 8.270 nan 0.000 0.429 373 Q N 0.000 119.849 119.800 0.082 0.000 2.315 373 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 373 Q CA 0.000 55.846 55.803 0.072 0.000 1.022 373 Q CB 0.000 28.767 28.738 0.049 0.000 1.108 373 Q HN 0.000 nan 8.270 nan 0.000 0.481