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 1q90_1_A DATA FIRST_RESID 1 DATA SEQUENCE YPVFAQQNYA NPREANGRIV CANCHLAQKA VEIEVPQAVL PDTVFEAVIE DATA SEQUENCE LPYDKQVKQV LANGKKGDLN VGMVLILPEG FELAPPDRVP AEIKEKVGNL DATA SEQUENCE YYQPYSPEQK NILVVGPVPG KKYSEMVVPI LSPDPAKNKN VSYLKYPIYF DATA SEQUENCE GGNRGRGQVY PDGKKSNNTI YNASAAGKIV AITALSEKKG GFEVSIEKAN DATA SEQUENCE GEVVVDKIPA GPDLIVKEGQ TVQADQPLTN NPNVGGFGQA ETEIVLQNPA DATA SEQUENCE RIQGLLVFFS FVLLTQVLLV LKKKQFEKVQ LAEMNFHHHH HH 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 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.928 175.900 0.047 0.000 1.272 1 Y CA 0.000 58.121 58.100 0.035 0.000 1.940 1 Y CB 0.000 38.250 38.460 -0.349 0.000 1.050 2 P HA -0.178 nan 4.420 nan 0.000 0.216 2 P C 1.721 179.070 177.300 0.082 0.000 1.150 2 P CA 1.702 64.870 63.100 0.113 0.000 0.837 2 P CB 0.440 32.191 31.700 0.084 0.000 0.786 3 V N -1.479 118.441 119.914 0.011 0.000 2.407 3 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 3 V C 1.929 178.064 176.094 0.069 0.000 1.055 3 V CA 1.813 64.079 62.300 -0.057 0.000 1.049 3 V CB -1.238 30.485 31.823 -0.165 0.000 0.662 3 V HN -0.097 nan 8.190 nan 0.000 0.455 4 F N 1.231 121.268 119.950 0.145 0.000 2.126 4 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 4 F C 2.529 178.417 175.800 0.146 0.000 1.096 4 F CA 1.411 59.499 58.000 0.146 0.000 1.255 4 F CB -1.556 37.555 39.000 0.184 0.000 0.997 4 F HN 0.273 nan 8.300 nan 0.000 0.479 5 A N -0.170 122.891 122.820 0.402 0.000 1.841 5 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 5 A C 2.160 179.941 177.584 0.328 0.000 1.199 5 A CA 1.909 54.223 52.037 0.461 0.000 0.621 5 A CB -1.094 18.136 19.000 0.383 0.000 0.835 5 A HN 0.459 nan 8.150 nan 0.000 0.445 6 Q N -0.628 119.165 119.800 -0.012 0.000 2.096 6 Q HA -0.305 4.035 4.340 -0.000 0.000 0.208 6 Q C 2.285 178.228 176.000 -0.096 0.000 0.993 6 Q CA 2.125 57.692 55.803 -0.393 0.000 0.862 6 Q CB -0.321 28.112 28.738 -0.509 0.000 0.915 6 Q HN 0.802 nan 8.270 nan 0.000 0.416 7 Q N -0.332 119.471 119.800 0.005 0.000 2.230 7 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 7 Q C 0.991 176.987 176.000 -0.007 0.000 0.963 7 Q CA 0.721 56.538 55.803 0.022 0.000 0.866 7 Q CB 0.214 29.004 28.738 0.087 0.000 0.931 7 Q HN 0.403 nan 8.270 nan 0.000 0.452 8 N N -1.097 117.582 118.700 -0.035 0.000 2.177 8 N HA 0.102 4.842 4.740 -0.000 0.000 0.218 8 N C -1.052 174.075 175.510 -0.638 0.000 1.182 8 N CA 0.206 53.067 53.050 -0.314 0.000 0.882 8 N CB 0.994 39.231 38.487 -0.417 0.000 1.052 8 N HN 0.144 nan 8.380 nan 0.000 0.519 9 Y N -0.289 120.090 120.300 0.131 0.000 2.307 9 Y HA 0.380 4.930 4.550 -0.000 0.000 0.323 9 Y C 0.771 176.819 175.900 0.248 0.000 1.100 9 Y CA -0.780 57.416 58.100 0.160 0.000 1.140 9 Y CB 1.491 40.051 38.460 0.167 0.000 1.159 9 Y HN -0.110 nan 8.280 nan 0.000 0.436 10 A N 2.286 125.277 122.820 0.285 0.000 1.902 10 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 10 A C 0.858 178.603 177.584 0.269 0.000 1.181 10 A CA 1.569 53.760 52.037 0.257 0.000 0.623 10 A CB -0.099 18.989 19.000 0.147 0.000 0.818 10 A HN 0.573 nan 8.150 nan 0.000 0.443 11 N N -0.553 118.251 118.700 0.173 0.000 2.479 11 N HA 0.266 5.006 4.740 -0.000 0.000 0.261 11 N C -2.351 173.125 175.510 -0.056 0.000 0.979 11 N CA -2.151 50.905 53.050 0.010 0.000 0.930 11 N CB 1.826 40.322 38.487 0.015 0.000 1.172 11 N HN -0.009 nan 8.380 nan 0.000 0.499 12 P HA -0.073 nan 4.420 nan 0.000 0.231 12 P C -0.136 177.043 177.300 -0.201 0.000 1.158 12 P CA 0.635 63.569 63.100 -0.276 0.000 0.763 12 P CB 0.583 31.958 31.700 -0.542 0.000 0.805 13 R N 0.622 121.025 120.500 -0.161 0.000 2.480 13 R HA 0.269 4.609 4.340 -0.000 0.000 0.306 13 R C -0.162 176.068 176.300 -0.117 0.000 0.958 13 R CA -0.560 55.452 56.100 -0.147 0.000 0.861 13 R CB 1.530 31.734 30.300 -0.160 0.000 1.171 13 R HN -0.045 nan 8.270 nan 0.000 0.445 14 E N 2.244 122.373 120.200 -0.118 0.000 2.314 14 E HA 0.213 4.563 4.350 -0.000 0.000 0.262 14 E C 0.764 177.315 176.600 -0.082 0.000 1.093 14 E CA -0.079 56.272 56.400 -0.082 0.000 0.908 14 E CB 1.194 30.848 29.700 -0.075 0.000 1.091 14 E HN 0.747 nan 8.360 nan 0.000 0.425 15 A N 2.804 125.592 122.820 -0.052 0.000 1.915 15 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 15 A C 1.622 179.168 177.584 -0.063 0.000 1.198 15 A CA 2.351 54.359 52.037 -0.047 0.000 0.647 15 A CB -0.837 18.148 19.000 -0.026 0.000 0.825 15 A HN 0.751 nan 8.150 nan 0.000 0.456 16 N N -0.737 117.925 118.700 -0.062 0.000 2.434 16 N HA 0.212 4.952 4.740 -0.000 0.000 0.196 16 N C 0.997 176.450 175.510 -0.097 0.000 1.183 16 N CA 1.279 54.290 53.050 -0.065 0.000 0.849 16 N CB -0.422 38.036 38.487 -0.047 0.000 0.992 16 N HN 1.037 nan 8.380 nan 0.000 0.460 17 G N 0.425 109.142 108.800 -0.139 0.000 2.179 17 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 17 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 17 G C 0.022 174.821 174.900 -0.168 0.000 0.977 17 G CA 0.159 45.131 45.100 -0.212 0.000 0.641 17 G HN 0.647 nan 8.290 nan 0.000 0.533 18 R N 0.547 120.981 120.500 -0.110 0.000 2.491 18 R HA 0.442 4.782 4.340 -0.000 0.000 0.283 18 R C 0.381 176.640 176.300 -0.068 0.000 1.072 18 R CA -0.585 55.476 56.100 -0.066 0.000 1.048 18 R CB 0.122 30.394 30.300 -0.047 0.000 0.983 18 R HN 0.112 nan 8.270 nan 0.000 0.450 19 I N 6.123 126.701 120.570 0.013 0.000 2.428 19 I HA -0.043 4.127 4.170 -0.000 0.000 0.289 19 I C 1.868 177.920 176.117 -0.110 0.000 1.019 19 I CA -0.104 61.194 61.300 -0.004 0.000 1.351 19 I CB 1.532 39.646 38.000 0.191 0.000 1.412 19 I HN 0.661 nan 8.210 nan 0.000 0.513 20 V N 3.063 122.800 119.914 -0.295 0.000 2.568 20 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 20 V C 2.111 177.946 176.094 -0.432 0.000 1.072 20 V CA 1.428 63.412 62.300 -0.526 0.000 1.084 20 V CB -1.331 29.866 31.823 -1.044 0.000 0.676 20 V HN 0.871 nan 8.190 nan 0.000 0.469 21 C N 1.243 120.245 119.300 -0.496 0.000 2.400 21 C HA 0.089 4.549 4.460 -0.000 0.000 0.291 21 C C 3.017 177.662 174.990 -0.575 0.000 1.372 21 C CA 0.966 59.594 59.018 -0.650 0.000 1.800 21 C CB -2.127 24.860 27.740 -1.254 0.000 1.869 21 C HN 0.746 nan 8.230 nan 0.000 0.533 22 A N 0.896 123.478 122.820 -0.397 0.000 2.178 22 A HA -0.005 4.315 4.320 -0.000 0.000 0.211 22 A C 1.896 179.461 177.584 -0.033 0.000 1.157 22 A CA 0.587 52.601 52.037 -0.039 0.000 0.780 22 A CB -0.364 18.773 19.000 0.227 0.000 0.828 22 A HN 0.651 nan 8.150 nan 0.000 0.476 23 N N -0.071 118.575 118.700 -0.090 0.000 2.244 23 N HA -0.126 4.614 4.740 -0.000 0.000 0.183 23 N C 1.348 176.834 175.510 -0.041 0.000 1.016 23 N CA 1.825 54.849 53.050 -0.043 0.000 0.866 23 N CB -0.252 38.232 38.487 -0.006 0.000 0.980 23 N HN 0.585 nan 8.380 nan 0.000 0.430 24 C N -0.863 118.400 119.300 -0.062 0.000 2.378 24 C HA 0.165 4.625 4.460 -0.000 0.000 0.389 24 C C 0.990 175.859 174.990 -0.200 0.000 1.394 24 C CA -0.589 58.343 59.018 -0.144 0.000 2.275 24 C CB -0.606 27.016 27.740 -0.196 0.000 2.567 24 C HN 0.383 nan 8.230 nan 0.000 0.556 25 H N 2.784 121.761 119.070 -0.154 0.000 3.224 25 H HA 0.163 4.719 4.556 -0.000 0.000 0.265 25 H C 0.846 176.153 175.328 -0.034 0.000 1.461 25 H CA 0.405 56.383 56.048 -0.116 0.000 1.509 25 H CB 0.189 29.852 29.762 -0.166 0.000 1.686 25 H HN 0.513 nan 8.280 nan 0.000 0.514 26 L N 1.229 122.455 121.223 0.006 0.000 2.552 26 L HA 0.088 4.428 4.340 -0.000 0.000 0.227 26 L C 1.577 178.476 176.870 0.049 0.000 1.146 26 L CA 0.035 54.888 54.840 0.021 0.000 0.858 26 L CB -0.149 41.892 42.059 -0.029 0.000 0.969 26 L HN 0.401 nan 8.230 nan 0.000 0.451 27 A N 0.436 123.298 122.820 0.070 0.000 2.259 27 A HA 0.396 4.716 4.320 -0.000 0.000 0.278 27 A C -0.112 177.525 177.584 0.088 0.000 1.107 27 A CA -0.077 52.000 52.037 0.066 0.000 0.828 27 A CB 0.706 19.746 19.000 0.067 0.000 1.111 27 A HN 0.280 nan 8.150 nan 0.000 0.498 28 Q N -0.094 119.737 119.800 0.052 0.000 2.274 28 Q HA 0.530 4.870 4.340 -0.000 0.000 0.268 28 Q C -1.693 174.311 176.000 0.007 0.000 1.015 28 Q CA -0.423 55.392 55.803 0.019 0.000 0.775 28 Q CB 1.112 29.846 28.738 -0.006 0.000 1.256 28 Q HN 0.648 nan 8.270 nan 0.000 0.442 29 K N 1.949 122.340 120.400 -0.014 0.000 2.513 29 K HA 0.572 4.892 4.320 -0.000 0.000 0.251 29 K C -1.032 175.553 176.600 -0.025 0.000 0.939 29 K CA -0.743 55.546 56.287 0.004 0.000 0.793 29 K CB 2.024 34.554 32.500 0.049 0.000 1.241 29 K HN 0.763 nan 8.250 nan 0.000 0.431 30 A N 1.825 124.643 122.820 -0.004 0.000 2.586 30 A HA 0.265 4.585 4.320 -0.000 0.000 0.231 30 A C 0.270 177.872 177.584 0.030 0.000 1.055 30 A CA 0.066 52.103 52.037 -0.001 0.000 0.756 30 A CB -0.068 18.942 19.000 0.017 0.000 0.988 30 A HN 0.571 nan 8.150 nan 0.000 0.509 31 V N -1.379 118.562 119.914 0.045 0.000 3.181 31 V HA 0.951 5.071 4.120 -0.000 0.000 0.308 31 V C -0.891 175.286 176.094 0.138 0.000 1.214 31 V CA -0.963 61.419 62.300 0.137 0.000 1.053 31 V CB 2.153 34.098 31.823 0.204 0.000 1.069 31 V HN 0.864 nan 8.190 nan 0.000 0.441 32 E N 0.931 121.220 120.200 0.148 0.000 2.393 32 E HA 0.743 5.093 4.350 -0.000 0.000 0.273 32 E C -1.413 175.123 176.600 -0.106 0.000 0.918 32 E CA -0.418 56.006 56.400 0.040 0.000 0.773 32 E CB 3.053 32.760 29.700 0.012 0.000 1.275 32 E HN 0.980 nan 8.360 nan 0.000 0.451 33 I N 0.538 121.029 120.570 -0.133 0.000 2.731 33 I HA 0.245 4.415 4.170 -0.000 0.000 0.289 33 I C -1.764 174.278 176.117 -0.124 0.000 1.399 33 I CA -0.235 60.907 61.300 -0.264 0.000 1.048 33 I CB 1.828 39.602 38.000 -0.376 0.000 1.345 33 I HN 0.499 nan 8.210 nan 0.000 0.425 34 E N 6.973 127.106 120.200 -0.111 0.000 2.308 34 E HA 0.703 5.053 4.350 -0.000 0.000 0.275 34 E C -1.866 174.720 176.600 -0.024 0.000 0.890 34 E CA -0.643 55.726 56.400 -0.051 0.000 0.754 34 E CB 2.460 32.140 29.700 -0.034 0.000 1.207 34 E HN 0.495 nan 8.360 nan 0.000 0.426 35 V N 0.446 120.364 119.914 0.006 0.000 3.167 35 V HA 0.722 4.842 4.120 -0.000 0.000 0.310 35 V C -2.658 173.454 176.094 0.030 0.000 1.207 35 V CA -2.140 60.201 62.300 0.068 0.000 1.059 35 V CB 0.920 32.812 31.823 0.116 0.000 1.079 35 V HN 0.610 nan 8.190 nan 0.000 0.446 36 P HA 0.180 nan 4.420 nan 0.000 0.271 36 P C 0.473 177.739 177.300 -0.056 0.000 1.233 36 P CA -0.147 62.941 63.100 -0.020 0.000 0.789 36 P CB 0.461 32.138 31.700 -0.037 0.000 0.951 37 Q N 0.642 120.418 119.800 -0.039 0.000 2.124 37 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 37 Q C 0.195 176.161 176.000 -0.055 0.000 0.977 37 Q CA 1.523 57.303 55.803 -0.038 0.000 0.850 37 Q CB -0.102 28.623 28.738 -0.021 0.000 0.901 37 Q HN 0.570 nan 8.270 nan 0.000 0.429 38 A N -1.023 121.757 122.820 -0.067 0.000 2.602 38 A HA 0.684 5.004 4.320 -0.000 0.000 0.290 38 A C -1.675 175.841 177.584 -0.113 0.000 1.114 38 A CA -0.297 51.697 52.037 -0.073 0.000 0.683 38 A CB 1.944 20.927 19.000 -0.028 0.000 1.281 38 A HN 0.044 nan 8.150 nan 0.000 0.416 39 V N 1.010 120.858 119.914 -0.111 0.000 2.969 39 V HA 0.510 4.630 4.120 -0.000 0.000 0.304 39 V C -1.088 174.988 176.094 -0.029 0.000 1.192 39 V CA -0.666 61.558 62.300 -0.127 0.000 0.962 39 V CB 1.876 33.475 31.823 -0.373 0.000 1.045 39 V HN 0.924 nan 8.190 nan 0.000 0.428 40 L N 5.694 126.919 121.223 0.003 0.000 2.466 40 L HA 0.441 4.781 4.340 -0.000 0.000 0.257 40 L C -2.115 174.770 176.870 0.024 0.000 1.189 40 L CA -1.607 53.259 54.840 0.043 0.000 0.813 40 L CB 0.796 42.879 42.059 0.040 0.000 1.118 40 L HN 0.468 nan 8.230 nan 0.000 0.471 41 P HA -0.033 nan 4.420 nan 0.000 0.270 41 P C -0.493 176.787 177.300 -0.033 0.000 1.223 41 P CA 0.004 63.081 63.100 -0.038 0.000 0.785 41 P CB 0.270 31.956 31.700 -0.023 0.000 0.923 42 D N -0.531 119.824 120.400 -0.074 0.000 2.755 42 D HA -0.171 4.469 4.640 -0.000 0.000 0.227 42 D C -0.978 175.319 176.300 -0.005 0.000 1.211 42 D CA 1.193 55.163 54.000 -0.050 0.000 0.663 42 D CB -1.190 39.586 40.800 -0.041 0.000 0.983 42 D HN 0.191 nan 8.370 nan 0.000 0.407 43 T N -0.337 114.235 114.554 0.029 0.000 2.906 43 T HA 0.557 4.907 4.350 -0.000 0.000 0.295 43 T C -0.353 174.438 174.700 0.152 0.000 1.061 43 T CA -0.691 61.457 62.100 0.080 0.000 1.000 43 T CB 2.105 71.027 68.868 0.091 0.000 1.103 43 T HN -0.101 nan 8.240 nan 0.000 0.486 44 V N 4.364 124.350 119.914 0.119 0.000 2.318 44 V HA 0.482 4.602 4.120 -0.000 0.000 0.271 44 V C -0.488 175.690 176.094 0.140 0.000 1.030 44 V CA -0.628 61.720 62.300 0.080 0.000 0.844 44 V CB -0.731 31.094 31.823 0.002 0.000 1.015 44 V HN 0.749 nan 8.190 nan 0.000 0.460 45 F N 2.638 122.596 119.950 0.014 0.000 2.518 45 F HA 0.880 5.407 4.527 0.000 0.000 0.338 45 F C 0.157 175.957 175.800 -0.000 0.000 1.065 45 F CA -1.747 56.261 58.000 0.014 0.000 1.012 45 F CB 0.978 39.996 39.000 0.030 0.000 1.297 45 F HN 0.517 nan 8.300 nan 0.000 0.489 46 E N 0.694 120.905 120.200 0.018 0.000 2.210 46 E HA 0.696 5.046 4.350 -0.000 0.000 0.266 46 E C -1.510 175.063 176.600 -0.045 0.000 0.883 46 E CA -1.392 54.939 56.400 -0.114 0.000 0.761 46 E CB 1.949 31.621 29.700 -0.047 0.000 1.156 46 E HN 0.894 nan 8.360 nan 0.000 0.412 47 A N 3.057 125.785 122.820 -0.154 0.000 2.276 47 A HA 0.420 4.740 4.320 -0.000 0.000 0.300 47 A C -0.334 177.165 177.584 -0.141 0.000 1.235 47 A CA -0.685 51.280 52.037 -0.120 0.000 0.867 47 A CB 0.643 19.529 19.000 -0.190 0.000 1.137 47 A HN 0.448 nan 8.150 nan 0.000 0.527 48 V N 5.514 125.359 119.914 -0.116 0.000 2.333 48 V HA 0.362 4.482 4.120 -0.000 0.000 0.274 48 V C 0.148 176.131 176.094 -0.185 0.000 1.028 48 V CA -0.183 62.051 62.300 -0.109 0.000 0.851 48 V CB 0.548 32.339 31.823 -0.052 0.000 1.000 48 V HN 0.764 nan 8.190 nan 0.000 0.456 49 I N 1.798 122.243 120.570 -0.209 0.000 2.562 49 I HA 0.786 4.956 4.170 -0.000 0.000 0.301 49 I C -0.514 175.562 176.117 -0.068 0.000 1.003 49 I CA -0.627 60.490 61.300 -0.306 0.000 1.127 49 I CB 2.261 39.877 38.000 -0.639 0.000 1.304 49 I HN 0.475 nan 8.210 nan 0.000 0.446 50 E N 5.205 125.402 120.200 -0.005 0.000 2.234 50 E HA 0.498 4.848 4.350 -0.000 0.000 0.266 50 E C -1.519 175.187 176.600 0.176 0.000 0.877 50 E CA -0.718 55.738 56.400 0.093 0.000 0.758 50 E CB 2.724 32.463 29.700 0.064 0.000 1.170 50 E HN 0.488 nan 8.360 nan 0.000 0.415 51 L N 4.077 125.419 121.223 0.198 0.000 2.679 51 L HA 0.274 4.614 4.340 -0.000 0.000 0.238 51 L C -2.286 174.722 176.870 0.230 0.000 1.330 51 L CA -1.633 53.328 54.840 0.201 0.000 0.935 51 L CB 0.304 42.474 42.059 0.185 0.000 1.243 51 L HN 0.292 nan 8.230 nan 0.000 0.484 52 P HA 0.138 nan 4.420 nan 0.000 0.268 52 P C -1.189 176.298 177.300 0.311 0.000 1.205 52 P CA 0.230 63.462 63.100 0.219 0.000 0.771 52 P CB 0.834 32.608 31.700 0.122 0.000 0.858 53 Y N -1.186 119.143 120.300 0.049 0.000 2.620 53 Y HA 0.386 4.936 4.550 -0.000 0.000 0.331 53 Y C -1.388 174.534 175.900 0.038 0.000 1.173 53 Y CA -1.798 56.329 58.100 0.045 0.000 1.076 53 Y CB 0.027 38.519 38.460 0.055 0.000 1.336 53 Y HN 0.178 nan 8.280 nan 0.000 0.459 54 D N 2.471 122.817 120.400 -0.090 0.000 2.348 54 D HA 0.170 4.810 4.640 -0.000 0.000 0.259 54 D C 0.306 176.392 176.300 -0.356 0.000 1.296 54 D CA 0.187 54.072 54.000 -0.191 0.000 0.931 54 D CB 0.900 41.675 40.800 -0.043 0.000 1.067 54 D HN 0.661 nan 8.370 nan 0.000 0.503 55 K N 2.249 122.307 120.400 -0.571 0.000 2.574 55 K HA -0.094 4.226 4.320 -0.000 0.000 0.193 55 K C 1.500 178.009 176.600 -0.151 0.000 1.035 55 K CA 0.454 56.455 56.287 -0.476 0.000 0.982 55 K CB 0.351 32.602 32.500 -0.416 0.000 0.795 55 K HN 0.469 nan 8.250 nan 0.000 0.491 56 Q N 0.325 120.060 119.800 -0.108 0.000 2.033 56 Q HA -0.013 4.327 4.340 -0.000 0.000 0.196 56 Q C 1.018 177.018 176.000 0.000 0.000 0.970 56 Q CA 0.662 56.441 55.803 -0.040 0.000 0.828 56 Q CB -0.275 28.443 28.738 -0.034 0.000 0.895 56 Q HN 0.065 nan 8.270 nan 0.000 0.440 57 V N 2.149 122.073 119.914 0.016 0.000 3.139 57 V HA -0.037 4.083 4.120 -0.000 0.000 0.307 57 V C 0.452 176.594 176.094 0.080 0.000 1.095 57 V CA 0.450 62.779 62.300 0.050 0.000 1.160 57 V CB 0.354 32.215 31.823 0.064 0.000 1.003 57 V HN 0.159 nan 8.190 nan 0.000 0.489 58 K N 2.173 122.618 120.400 0.075 0.000 2.318 58 K HA 0.519 4.839 4.320 -0.000 0.000 0.249 58 K C -0.579 176.070 176.600 0.081 0.000 0.942 58 K CA -0.756 55.582 56.287 0.084 0.000 0.808 58 K CB 2.140 34.679 32.500 0.065 0.000 1.189 58 K HN 0.836 nan 8.250 nan 0.000 0.428 59 Q N -0.141 119.710 119.800 0.085 0.000 2.195 59 Q HA 0.453 4.793 4.340 -0.000 0.000 0.250 59 Q C -0.701 175.336 176.000 0.063 0.000 0.988 59 Q CA -0.992 54.855 55.803 0.072 0.000 0.911 59 Q CB 1.186 29.966 28.738 0.070 0.000 1.258 59 Q HN 0.183 nan 8.270 nan 0.000 0.475 60 V N 2.931 122.880 119.914 0.057 0.000 2.415 60 V HA 0.101 4.221 4.120 -0.000 0.000 0.267 60 V C 0.267 176.397 176.094 0.059 0.000 1.042 60 V CA -0.098 62.237 62.300 0.057 0.000 1.000 60 V CB -0.205 31.653 31.823 0.059 0.000 1.015 60 V HN 0.593 nan 8.190 nan 0.000 0.478 61 L N 4.333 125.592 121.223 0.061 0.000 2.472 61 L HA 0.269 4.609 4.340 -0.000 0.000 0.260 61 L C 1.960 178.876 176.870 0.076 0.000 1.209 61 L CA 0.279 55.161 54.840 0.069 0.000 0.817 61 L CB 0.170 42.268 42.059 0.065 0.000 1.106 61 L HN 0.699 nan 8.230 nan 0.000 0.479 62 A N 2.103 124.979 122.820 0.093 0.000 1.896 62 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 62 A C 1.865 179.505 177.584 0.093 0.000 1.206 62 A CA 2.677 54.783 52.037 0.115 0.000 0.647 62 A CB -1.219 17.864 19.000 0.137 0.000 0.828 62 A HN 1.039 nan 8.150 nan 0.000 0.455 63 N N -1.586 117.156 118.700 0.070 0.000 2.022 63 N HA 0.257 4.997 4.740 -0.000 0.000 0.194 63 N C 1.283 176.817 175.510 0.041 0.000 1.057 63 N CA 2.460 55.539 53.050 0.049 0.000 0.849 63 N CB -0.559 37.951 38.487 0.038 0.000 1.044 63 N HN 0.637 nan 8.380 nan 0.000 0.424 64 G N -1.886 106.938 108.800 0.040 0.000 4.142 64 G HA2 0.012 3.972 3.960 -0.000 0.000 0.200 64 G HA3 0.012 3.972 3.960 -0.000 0.000 0.200 64 G C -0.154 174.767 174.900 0.036 0.000 0.811 64 G CA -0.428 44.692 45.100 0.034 0.000 0.855 64 G HN 0.263 nan 8.290 nan 0.000 0.455 65 K N 0.533 120.954 120.400 0.036 0.000 2.273 65 K HA 0.574 4.894 4.320 -0.000 0.000 0.240 65 K C -0.216 176.410 176.600 0.044 0.000 1.056 65 K CA -0.025 56.283 56.287 0.036 0.000 0.910 65 K CB 0.560 33.080 32.500 0.032 0.000 1.196 65 K HN -0.062 nan 8.250 nan 0.000 0.509 66 K N 0.098 120.524 120.400 0.043 0.000 2.244 66 K HA 0.433 4.753 4.320 -0.000 0.000 0.260 66 K C -0.362 176.269 176.600 0.051 0.000 0.951 66 K CA -0.638 55.678 56.287 0.049 0.000 0.826 66 K CB 1.973 34.501 32.500 0.047 0.000 1.108 66 K HN 0.766 nan 8.250 nan 0.000 0.433 67 G N 1.712 110.548 108.800 0.060 0.000 3.021 67 G HA2 0.267 4.227 3.960 -0.000 0.000 0.290 67 G HA3 0.267 4.227 3.960 -0.000 0.000 0.290 67 G C -1.286 173.662 174.900 0.080 0.000 1.291 67 G CA -0.612 44.526 45.100 0.064 0.000 0.834 67 G HN 0.483 nan 8.290 nan 0.000 0.564 68 D N -0.656 119.795 120.400 0.085 0.000 2.358 68 D HA 0.516 5.156 4.640 -0.000 0.000 0.244 68 D C -0.127 176.240 176.300 0.113 0.000 1.163 68 D CA 0.049 54.116 54.000 0.111 0.000 0.945 68 D CB 1.213 42.075 40.800 0.103 0.000 1.152 68 D HN 0.089 nan 8.370 nan 0.000 0.451 69 L N 1.275 122.582 121.223 0.140 0.000 2.344 69 L HA 0.390 4.730 4.340 -0.000 0.000 0.272 69 L C 0.187 177.079 176.870 0.037 0.000 1.035 69 L CA -0.323 54.552 54.840 0.058 0.000 0.807 69 L CB 1.034 43.061 42.059 -0.053 0.000 1.237 69 L HN 0.313 nan 8.230 nan 0.000 0.442 70 N N -0.254 118.458 118.700 0.019 0.000 2.335 70 N HA 0.774 5.514 4.740 -0.000 0.000 0.304 70 N C -1.296 174.215 175.510 0.002 0.000 1.135 70 N CA -0.858 52.222 53.050 0.051 0.000 0.817 70 N CB 2.615 41.164 38.487 0.104 0.000 1.294 70 N HN 0.391 nan 8.380 nan 0.000 0.497 71 V N -1.836 118.101 119.914 0.040 0.000 2.960 71 V HA 1.019 5.139 4.120 -0.000 0.000 0.315 71 V C 0.173 176.300 176.094 0.056 0.000 1.087 71 V CA -0.556 61.758 62.300 0.023 0.000 0.982 71 V CB 1.338 33.193 31.823 0.053 0.000 1.039 71 V HN 0.742 nan 8.190 nan 0.000 0.437 72 G N 2.407 111.228 108.800 0.034 0.000 2.684 72 G HA2 0.860 4.820 3.960 -0.000 0.000 0.290 72 G HA3 0.860 4.820 3.960 -0.000 0.000 0.290 72 G C -1.266 173.660 174.900 0.043 0.000 1.425 72 G CA -0.370 44.757 45.100 0.044 0.000 0.822 72 G HN 1.791 nan 8.290 nan 0.000 0.482 73 M N -0.961 118.682 119.600 0.071 0.000 2.643 73 M HA 0.777 5.257 4.480 -0.000 0.000 0.276 73 M C -2.055 174.295 176.300 0.083 0.000 1.200 73 M CA -1.104 54.228 55.300 0.053 0.000 0.863 73 M CB 1.643 34.382 32.600 0.232 0.000 1.711 73 M HN 1.189 nan 8.290 nan 0.000 0.492 74 V N 2.424 122.349 119.914 0.019 0.000 2.577 74 V HA 0.771 4.891 4.120 -0.000 0.000 0.303 74 V C -2.005 174.159 176.094 0.118 0.000 1.042 74 V CA -0.645 61.705 62.300 0.082 0.000 0.872 74 V CB 1.871 33.724 31.823 0.050 0.000 0.998 74 V HN 0.988 nan 8.190 nan 0.000 0.423 75 L N 7.708 129.030 121.223 0.165 0.000 2.325 75 L HA 0.635 4.975 4.340 -0.000 0.000 0.281 75 L C -0.893 176.032 176.870 0.091 0.000 1.004 75 L CA -0.609 54.349 54.840 0.197 0.000 0.823 75 L CB 1.587 43.725 42.059 0.131 0.000 1.236 75 L HN 0.654 nan 8.230 nan 0.000 0.415 76 I N 5.950 126.577 120.570 0.095 0.000 2.312 76 I HA 0.338 4.508 4.170 -0.000 0.000 0.290 76 I C -0.274 175.811 176.117 -0.052 0.000 1.008 76 I CA -0.360 60.969 61.300 0.049 0.000 1.226 76 I CB 1.316 39.404 38.000 0.147 0.000 1.371 76 I HN 0.436 nan 8.210 nan 0.000 0.468 77 L N 7.191 128.372 121.223 -0.072 0.000 2.332 77 L HA 0.608 4.948 4.340 -0.000 0.000 0.269 77 L C -2.384 174.383 176.870 -0.172 0.000 1.016 77 L CA -2.167 52.571 54.840 -0.171 0.000 0.809 77 L CB 1.250 43.255 42.059 -0.089 0.000 1.280 77 L HN 0.254 nan 8.230 nan 0.000 0.447 78 P HA 0.025 nan 4.420 nan 0.000 0.269 78 P C -0.689 176.599 177.300 -0.020 0.000 1.215 78 P CA -0.320 62.628 63.100 -0.253 0.000 0.780 78 P CB 0.374 31.670 31.700 -0.674 0.000 0.898 79 E N 1.200 121.390 120.200 -0.015 0.000 2.502 79 E HA 0.048 4.398 4.350 -0.000 0.000 0.261 79 E C 1.413 178.032 176.600 0.031 0.000 0.974 79 E CA 1.831 58.244 56.400 0.021 0.000 0.936 79 E CB -0.061 29.651 29.700 0.019 0.000 0.926 79 E HN 0.819 nan 8.360 nan 0.000 0.459 80 G N 3.324 112.135 108.800 0.019 0.000 2.308 80 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.221 80 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.221 80 G C 0.014 174.848 174.900 -0.110 0.000 1.032 80 G CA -0.225 44.832 45.100 -0.071 0.000 0.623 80 G HN 0.405 nan 8.290 nan 0.000 0.506 81 F N 3.262 123.145 119.950 -0.113 0.000 2.420 81 F HA 0.587 5.114 4.527 -0.000 0.000 0.352 81 F C 0.831 176.596 175.800 -0.057 0.000 1.108 81 F CA 0.127 58.087 58.000 -0.065 0.000 1.162 81 F CB 1.091 40.060 39.000 -0.051 0.000 1.118 81 F HN 0.481 nan 8.300 nan 0.000 0.510 82 E N 2.379 122.624 120.200 0.074 0.000 2.446 82 E HA 0.467 4.817 4.350 -0.000 0.000 0.276 82 E C -1.610 174.980 176.600 -0.017 0.000 0.969 82 E CA -1.343 55.073 56.400 0.028 0.000 0.800 82 E CB 1.761 31.467 29.700 0.010 0.000 1.341 82 E HN 0.364 nan 8.360 nan 0.000 0.460 83 L N 1.565 122.773 121.223 -0.024 0.000 2.499 83 L HA 0.283 4.623 4.340 -0.000 0.000 0.273 83 L C -0.238 176.607 176.870 -0.041 0.000 1.195 83 L CA 0.466 55.277 54.840 -0.049 0.000 0.882 83 L CB 0.312 42.370 42.059 -0.001 0.000 1.133 83 L HN 0.681 nan 8.230 nan 0.000 0.483 84 A N 7.229 130.008 122.820 -0.069 0.000 2.492 84 A HA 0.475 4.795 4.320 -0.000 0.000 0.254 84 A C -2.215 175.359 177.584 -0.016 0.000 1.091 84 A CA -1.037 50.970 52.037 -0.049 0.000 0.768 84 A CB -0.824 18.135 19.000 -0.069 0.000 1.028 84 A HN 0.729 nan 8.150 nan 0.000 0.498 85 P HA 0.100 nan 4.420 nan 0.000 0.268 85 P C -1.681 175.623 177.300 0.007 0.000 1.205 85 P CA -1.161 61.943 63.100 0.006 0.000 0.771 85 P CB 0.370 32.072 31.700 0.003 0.000 0.858 86 P HA -0.264 nan 4.420 nan 0.000 0.217 86 P C 0.690 177.997 177.300 0.010 0.000 1.148 86 P CA 1.691 64.800 63.100 0.015 0.000 0.834 86 P CB -0.168 31.547 31.700 0.026 0.000 0.783 87 D N -1.546 118.859 120.400 0.009 0.000 2.352 87 D HA -0.078 4.562 4.640 -0.000 0.000 0.232 87 D C 1.435 177.737 176.300 0.004 0.000 1.055 87 D CA 0.182 54.186 54.000 0.007 0.000 0.891 87 D CB -0.082 40.722 40.800 0.007 0.000 0.897 87 D HN 0.112 nan 8.370 nan 0.000 0.529 88 R N 0.122 120.623 120.500 0.001 0.000 2.419 88 R HA 0.206 4.546 4.340 -0.000 0.000 0.235 88 R C 0.086 176.385 176.300 -0.002 0.000 0.899 88 R CA -0.044 56.055 56.100 -0.002 0.000 1.048 88 R CB 0.998 31.294 30.300 -0.008 0.000 1.182 88 R HN 0.051 nan 8.270 nan 0.000 0.544 89 V N 4.110 124.022 119.914 -0.003 0.000 2.432 89 V HA 0.247 4.367 4.120 -0.000 0.000 0.275 89 V C -2.140 173.955 176.094 0.002 0.000 1.043 89 V CA -1.820 60.478 62.300 -0.004 0.000 0.925 89 V CB 1.244 33.063 31.823 -0.006 0.000 0.985 89 V HN -0.051 nan 8.190 nan 0.000 0.466 90 P HA 0.107 nan 4.420 nan 0.000 0.266 90 P C 0.740 178.044 177.300 0.007 0.000 1.195 90 P CA 0.173 63.278 63.100 0.008 0.000 0.768 90 P CB 0.819 32.525 31.700 0.011 0.000 0.838 91 A N 3.751 126.576 122.820 0.008 0.000 1.892 91 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 91 A C 1.802 179.392 177.584 0.009 0.000 1.188 91 A CA 1.980 54.022 52.037 0.009 0.000 0.631 91 A CB -1.154 17.851 19.000 0.010 0.000 0.822 91 A HN 0.589 nan 8.150 nan 0.000 0.447 92 E N 0.326 120.532 120.200 0.010 0.000 2.085 92 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 92 E C 1.751 178.358 176.600 0.012 0.000 0.994 92 E CA 1.403 57.810 56.400 0.011 0.000 0.801 92 E CB -0.524 29.183 29.700 0.012 0.000 0.743 92 E HN 0.732 nan 8.360 nan 0.000 0.453 93 I N 0.835 121.411 120.570 0.010 0.000 2.163 93 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 93 I C 2.073 178.194 176.117 0.008 0.000 1.081 93 I CA 1.120 62.425 61.300 0.009 0.000 1.353 93 I CB -0.286 37.716 38.000 0.004 0.000 1.054 93 I HN 0.045 nan 8.210 nan 0.000 0.407 94 K N 0.560 120.963 120.400 0.004 0.000 2.189 94 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 94 K C 1.956 178.558 176.600 0.003 0.000 1.046 94 K CA 1.379 57.666 56.287 -0.001 0.000 0.928 94 K CB -0.168 32.332 32.500 -0.001 0.000 0.720 94 K HN 0.368 nan 8.250 nan 0.000 0.458 95 E N 1.054 121.260 120.200 0.010 0.000 2.017 95 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 95 E C 1.883 178.497 176.600 0.025 0.000 0.997 95 E CA 1.269 57.678 56.400 0.016 0.000 0.804 95 E CB -0.136 29.573 29.700 0.016 0.000 0.757 95 E HN 0.333 nan 8.360 nan 0.000 0.448 96 K N 0.662 121.077 120.400 0.025 0.000 2.160 96 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 96 K C 2.253 178.883 176.600 0.049 0.000 1.047 96 K CA 1.286 57.594 56.287 0.034 0.000 0.930 96 K CB -0.213 32.303 32.500 0.027 0.000 0.720 96 K HN -0.029 nan 8.250 nan 0.000 0.450 97 V N 0.359 120.295 119.914 0.036 0.000 2.358 97 V HA -0.096 4.024 4.120 -0.000 0.000 0.246 97 V C 1.397 177.503 176.094 0.020 0.000 1.047 97 V CA 1.463 63.784 62.300 0.035 0.000 1.035 97 V CB -1.087 30.744 31.823 0.013 0.000 0.658 97 V HN 0.691 nan 8.190 nan 0.000 0.452 98 G N 0.434 109.246 108.800 0.020 0.000 2.632 98 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.224 98 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.224 98 G C -0.231 174.630 174.900 -0.064 0.000 1.341 98 G CA 0.011 45.146 45.100 0.058 0.000 0.880 98 G HN 0.340 nan 8.290 nan 0.000 0.566 99 N N 1.011 119.708 118.700 -0.005 0.000 3.322 99 N HA 0.377 5.117 4.740 -0.000 0.000 0.290 99 N C -0.181 175.057 175.510 -0.454 0.000 1.297 99 N CA 0.220 53.176 53.050 -0.157 0.000 1.167 99 N CB -0.066 38.500 38.487 0.132 0.000 1.434 99 N HN 0.430 nan 8.380 nan 0.000 0.526 100 L N 1.062 121.784 121.223 -0.835 0.000 2.329 100 L HA 0.422 4.762 4.340 -0.000 0.000 0.279 100 L C -0.746 175.346 176.870 -1.297 0.000 1.014 100 L CA -0.907 53.343 54.840 -0.985 0.000 0.814 100 L CB 1.256 42.682 42.059 -1.056 0.000 1.257 100 L HN 0.211 nan 8.230 nan 0.000 0.424 101 Y N 1.840 121.865 120.300 -0.457 0.000 2.919 101 Y HA 0.338 4.888 4.550 -0.000 0.000 0.341 101 Y C -0.449 175.312 175.900 -0.232 0.000 1.045 101 Y CA -0.838 57.088 58.100 -0.290 0.000 1.218 101 Y CB -0.024 38.343 38.460 -0.155 0.000 1.137 101 Y HN 0.314 nan 8.280 nan 0.000 0.577 102 Y N 2.041 122.324 120.300 -0.028 0.000 2.712 102 Y HA 0.051 4.601 4.550 0.000 0.000 0.333 102 Y C 0.696 176.615 175.900 0.031 0.000 1.225 102 Y CA 0.157 58.254 58.100 -0.005 0.000 1.499 102 Y CB 0.542 38.983 38.460 -0.030 0.000 1.288 102 Y HN 0.375 nan 8.280 nan 0.000 0.575 103 Q N 4.204 124.124 119.800 0.199 0.000 2.387 103 Q HA 0.436 4.776 4.340 -0.000 0.000 0.273 103 Q C -2.699 173.376 176.000 0.124 0.000 1.089 103 Q CA -2.500 53.377 55.803 0.124 0.000 0.824 103 Q CB 1.902 30.685 28.738 0.075 0.000 1.367 103 Q HN 0.345 nan 8.270 nan 0.000 0.443 104 P HA 0.090 nan 4.420 nan 0.000 0.280 104 P C 0.053 177.432 177.300 0.131 0.000 1.244 104 P CA -0.130 63.038 63.100 0.112 0.000 0.784 104 P CB 0.360 32.109 31.700 0.082 0.000 0.913 105 Y N 3.118 123.449 120.300 0.051 0.000 2.193 105 Y HA -0.192 4.358 4.550 -0.000 0.000 0.285 105 Y C 0.903 176.832 175.900 0.049 0.000 1.166 105 Y CA 2.098 60.230 58.100 0.054 0.000 1.181 105 Y CB 0.244 38.738 38.460 0.058 0.000 0.976 105 Y HN 0.453 nan 8.280 nan 0.000 0.520 106 S N -3.561 112.225 115.700 0.142 0.000 2.587 106 S HA 0.326 4.796 4.470 -0.000 0.000 0.269 106 S C -2.396 172.249 174.600 0.074 0.000 1.154 106 S CA -0.905 57.335 58.200 0.068 0.000 0.824 106 S CB 1.510 64.776 63.200 0.111 0.000 1.118 106 S HN -0.208 nan 8.310 nan 0.000 0.462 107 P HA -0.089 nan 4.420 nan 0.000 0.217 107 P C 0.737 178.066 177.300 0.048 0.000 1.148 107 P CA 1.588 64.712 63.100 0.040 0.000 0.834 107 P CB 0.075 31.791 31.700 0.026 0.000 0.783 108 E N -0.686 119.550 120.200 0.060 0.000 2.042 108 E HA -0.056 4.294 4.350 -0.000 0.000 0.189 108 E C 1.072 177.713 176.600 0.068 0.000 0.974 108 E CA 0.751 57.186 56.400 0.058 0.000 0.806 108 E CB -0.889 28.846 29.700 0.059 0.000 0.769 108 E HN 0.353 nan 8.360 nan 0.000 0.451 109 Q N 1.368 121.227 119.800 0.098 0.000 3.047 109 Q HA 0.062 4.402 4.340 -0.000 0.000 0.273 109 Q C 0.312 176.374 176.000 0.104 0.000 1.243 109 Q CA 0.085 55.952 55.803 0.107 0.000 0.929 109 Q CB -0.152 28.680 28.738 0.157 0.000 1.721 109 Q HN 0.143 nan 8.270 nan 0.000 0.471 110 K N 0.911 121.356 120.400 0.074 0.000 2.515 110 K HA -0.095 4.225 4.320 -0.000 0.000 0.196 110 K C 1.249 177.885 176.600 0.060 0.000 1.038 110 K CA 0.654 56.980 56.287 0.065 0.000 0.967 110 K CB 0.118 32.645 32.500 0.045 0.000 0.780 110 K HN 0.453 nan 8.250 nan 0.000 0.483 111 N N 0.835 119.571 118.700 0.060 0.000 2.398 111 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 111 N C 0.145 175.681 175.510 0.043 0.000 1.122 111 N CA 0.258 53.341 53.050 0.055 0.000 0.866 111 N CB 0.255 38.774 38.487 0.053 0.000 0.970 111 N HN 0.111 nan 8.380 nan 0.000 0.462 112 I N 1.671 122.278 120.570 0.062 0.000 2.382 112 I HA 0.331 4.501 4.170 -0.000 0.000 0.286 112 I C -0.537 175.649 176.117 0.115 0.000 1.002 112 I CA -0.715 60.623 61.300 0.064 0.000 1.135 112 I CB 1.742 39.761 38.000 0.031 0.000 1.288 112 I HN -0.182 nan 8.210 nan 0.000 0.448 113 L N 7.099 128.377 121.223 0.090 0.000 2.329 113 L HA 0.730 5.070 4.340 -0.000 0.000 0.279 113 L C -0.196 176.768 176.870 0.158 0.000 1.014 113 L CA -1.020 53.883 54.840 0.106 0.000 0.814 113 L CB 1.873 43.933 42.059 0.001 0.000 1.257 113 L HN 0.379 nan 8.230 nan 0.000 0.424 114 V N 1.138 121.170 119.914 0.196 0.000 3.046 114 V HA 0.877 4.997 4.120 -0.000 0.000 0.316 114 V C -0.620 175.605 176.094 0.219 0.000 1.104 114 V CA -0.748 61.671 62.300 0.198 0.000 1.006 114 V CB 2.322 34.252 31.823 0.179 0.000 1.058 114 V HN 0.545 nan 8.190 nan 0.000 0.440 115 V N 0.755 120.777 119.914 0.180 0.000 3.204 115 V HA 0.921 5.041 4.120 -0.000 0.000 0.298 115 V C 0.221 176.354 176.094 0.066 0.000 1.328 115 V CA 0.762 63.138 62.300 0.126 0.000 1.035 115 V CB 1.710 33.644 31.823 0.184 0.000 1.095 115 V HN 2.633 nan 8.190 nan 0.000 0.442 116 G N 4.266 113.072 108.800 0.010 0.000 2.757 116 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.638 116 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.638 116 G C -2.729 172.192 174.900 0.035 0.000 1.344 116 G CA -0.271 44.845 45.100 0.028 0.000 0.855 116 G HN 0.979 nan 8.290 nan 0.000 0.537 117 P HA 0.500 nan 4.420 nan 0.000 0.268 117 P C 0.052 177.400 177.300 0.080 0.000 1.205 117 P CA 0.661 63.828 63.100 0.111 0.000 0.771 117 P CB 1.366 33.185 31.700 0.199 0.000 0.858 118 V N -1.023 118.956 119.914 0.109 0.000 3.178 118 V HA 0.495 4.615 4.120 -0.000 0.000 0.302 118 V C -3.085 173.135 176.094 0.210 0.000 1.262 118 V CA -2.974 59.422 62.300 0.160 0.000 1.030 118 V CB 1.425 33.338 31.823 0.150 0.000 1.074 118 V HN 0.184 nan 8.190 nan 0.000 0.438 119 P HA 0.153 nan 4.420 nan 0.000 0.253 119 P C 1.062 178.474 177.300 0.188 0.000 1.170 119 P CA 1.073 64.273 63.100 0.167 0.000 0.806 119 P CB 0.430 32.192 31.700 0.102 0.000 0.775 120 G N 3.250 112.148 108.800 0.164 0.000 2.625 120 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.214 120 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.214 120 G C 1.513 176.595 174.900 0.303 0.000 1.132 120 G CA 0.344 45.559 45.100 0.191 0.000 0.782 120 G HN 0.307 nan 8.290 nan 0.000 0.538 121 K N 0.621 121.146 120.400 0.209 0.000 2.097 121 K HA 0.050 4.370 4.320 -0.000 0.000 0.205 121 K C 2.213 178.830 176.600 0.028 0.000 1.050 121 K CA 1.225 57.592 56.287 0.133 0.000 0.938 121 K CB -0.067 32.479 32.500 0.076 0.000 0.718 121 K HN 0.332 nan 8.250 nan 0.000 0.442 122 K N -1.672 118.685 120.400 -0.072 0.000 2.350 122 K HA 0.038 4.358 4.320 -0.000 0.000 0.196 122 K C 0.027 176.446 176.600 -0.302 0.000 1.084 122 K CA 0.265 56.385 56.287 -0.279 0.000 0.967 122 K CB 0.397 32.564 32.500 -0.554 0.000 0.950 122 K HN 0.014 nan 8.250 nan 0.000 0.512 123 Y N 1.254 121.607 120.300 0.088 0.000 2.801 123 Y HA 0.158 4.708 4.550 -0.000 0.000 0.318 123 Y C 1.284 177.254 175.900 0.116 0.000 1.073 123 Y CA -0.456 57.695 58.100 0.084 0.000 1.360 123 Y CB 0.502 39.000 38.460 0.063 0.000 1.220 123 Y HN 0.092 nan 8.280 nan 0.000 0.536 124 S N -1.317 114.534 115.700 0.252 0.000 2.481 124 S HA 0.010 4.480 4.470 -0.000 0.000 0.231 124 S C 0.339 175.065 174.600 0.209 0.000 0.996 124 S CA 0.371 58.729 58.200 0.264 0.000 0.942 124 S CB -0.071 63.311 63.200 0.303 0.000 0.768 124 S HN 0.456 nan 8.310 nan 0.000 0.520 125 E N 0.436 120.749 120.200 0.188 0.000 2.246 125 E HA 0.588 4.938 4.350 -0.000 0.000 0.266 125 E C -1.152 175.551 176.600 0.171 0.000 0.880 125 E CA -0.283 56.203 56.400 0.144 0.000 0.762 125 E CB 1.851 31.611 29.700 0.100 0.000 1.180 125 E HN 0.296 nan 8.360 nan 0.000 0.416 126 M N 1.383 121.064 119.600 0.135 0.000 2.761 126 M HA 0.608 5.088 4.480 -0.000 0.000 0.305 126 M C -0.893 175.455 176.300 0.080 0.000 1.235 126 M CA -1.182 54.205 55.300 0.144 0.000 0.850 126 M CB 2.487 35.192 32.600 0.175 0.000 1.744 126 M HN 0.184 nan 8.290 nan 0.000 0.480 127 V N 1.508 121.486 119.914 0.105 0.000 2.623 127 V HA 0.491 4.611 4.120 -0.000 0.000 0.304 127 V C -1.188 174.934 176.094 0.046 0.000 1.054 127 V CA -0.719 61.605 62.300 0.039 0.000 0.882 127 V CB 2.337 34.183 31.823 0.038 0.000 1.002 127 V HN 0.600 nan 8.190 nan 0.000 0.424 128 V N 7.050 126.886 119.914 -0.129 0.000 2.350 128 V HA 0.408 4.528 4.120 -0.000 0.000 0.285 128 V C -2.304 173.621 176.094 -0.283 0.000 1.014 128 V CA -1.850 60.254 62.300 -0.326 0.000 0.831 128 V CB 1.972 33.433 31.823 -0.602 0.000 1.000 128 V HN 0.722 nan 8.190 nan 0.000 0.433 129 P HA 0.347 nan 4.420 nan 0.000 0.276 129 P C -0.718 176.406 177.300 -0.294 0.000 1.264 129 P CA 0.253 63.235 63.100 -0.198 0.000 0.769 129 P CB 0.956 32.607 31.700 -0.083 0.000 0.840 130 I N 3.772 124.042 120.570 -0.500 0.000 2.646 130 I HA 0.385 4.555 4.170 -0.000 0.000 0.299 130 I C -0.119 175.750 176.117 -0.413 0.000 1.036 130 I CA -1.308 59.661 61.300 -0.551 0.000 1.074 130 I CB 2.298 39.779 38.000 -0.865 0.000 1.258 130 I HN 0.150 nan 8.210 nan 0.000 0.430 131 L N 5.174 126.308 121.223 -0.147 0.000 2.316 131 L HA 0.428 4.768 4.340 -0.000 0.000 0.280 131 L C 0.262 177.114 176.870 -0.029 0.000 1.006 131 L CA -0.160 54.662 54.840 -0.030 0.000 0.836 131 L CB 1.256 43.282 42.059 -0.054 0.000 1.221 131 L HN 0.718 nan 8.230 nan 0.000 0.418 132 S N 6.524 122.259 115.700 0.059 0.000 2.560 132 S HA 0.450 4.920 4.470 -0.000 0.000 0.284 132 S C -2.254 172.069 174.600 -0.461 0.000 1.327 132 S CA -0.742 57.238 58.200 -0.367 0.000 1.055 132 S CB 0.109 63.218 63.200 -0.151 0.000 0.868 132 S HN 0.631 nan 8.310 nan 0.000 0.506 133 P HA 0.338 nan 4.420 nan 0.000 0.289 133 P C -1.031 176.085 177.300 -0.306 0.000 1.299 133 P CA -0.179 62.658 63.100 -0.438 0.000 0.766 133 P CB 0.352 31.764 31.700 -0.480 0.000 1.226 134 D N -1.225 119.043 120.400 -0.221 0.000 2.402 134 D HA 0.288 4.928 4.640 -0.000 0.000 0.252 134 D C -2.024 174.177 176.300 -0.165 0.000 1.294 134 D CA -2.486 51.410 54.000 -0.174 0.000 0.948 134 D CB 0.823 41.562 40.800 -0.102 0.000 1.202 134 D HN -0.096 nan 8.370 nan 0.000 0.561 135 P HA -0.233 nan 4.420 nan 0.000 0.218 135 P C 1.114 178.368 177.300 -0.076 0.000 1.154 135 P CA 2.126 65.105 63.100 -0.202 0.000 0.872 135 P CB 0.290 31.745 31.700 -0.408 0.000 0.790 136 A N -0.244 122.554 122.820 -0.037 0.000 1.849 136 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 136 A C 2.044 179.619 177.584 -0.014 0.000 1.202 136 A CA 2.272 54.311 52.037 0.003 0.000 0.629 136 A CB -1.074 17.936 19.000 0.017 0.000 0.834 136 A HN 0.080 nan 8.150 nan 0.000 0.447 137 K N 0.342 120.725 120.400 -0.029 0.000 1.975 137 K HA -0.065 4.255 4.320 -0.000 0.000 0.217 137 K C 0.934 177.513 176.600 -0.033 0.000 1.037 137 K CA 0.532 56.802 56.287 -0.029 0.000 0.971 137 K CB -1.376 31.102 32.500 -0.036 0.000 0.749 137 K HN 0.511 nan 8.250 nan 0.000 0.444 138 N N 2.145 120.814 118.700 -0.051 0.000 2.454 138 N HA -0.072 4.668 4.740 -0.000 0.000 0.260 138 N C 0.581 176.066 175.510 -0.042 0.000 1.218 138 N CA 0.322 53.343 53.050 -0.049 0.000 0.904 138 N CB 0.839 39.284 38.487 -0.070 0.000 1.065 138 N HN 0.000 nan 8.380 nan 0.000 0.462 139 K N 2.927 123.313 120.400 -0.022 0.000 2.029 139 K HA -0.049 4.271 4.320 -0.000 0.000 0.205 139 K C 0.535 177.133 176.600 -0.003 0.000 1.042 139 K CA 1.059 57.341 56.287 -0.010 0.000 0.949 139 K CB -0.795 31.706 32.500 0.001 0.000 0.740 139 K HN 0.729 nan 8.250 nan 0.000 0.442 140 N N 1.280 119.982 118.700 0.004 0.000 2.780 140 N HA 0.017 4.757 4.740 -0.000 0.000 0.250 140 N C -0.950 174.577 175.510 0.028 0.000 1.409 140 N CA 0.042 53.105 53.050 0.021 0.000 0.965 140 N CB -0.176 38.324 38.487 0.022 0.000 1.314 140 N HN -0.202 nan 8.380 nan 0.000 0.526 141 V N -0.458 119.467 119.914 0.018 0.000 2.671 141 V HA 0.280 4.400 4.120 -0.000 0.000 0.292 141 V C -0.771 175.322 176.094 -0.002 0.000 1.115 141 V CA -0.802 61.514 62.300 0.026 0.000 0.918 141 V CB 1.511 33.282 31.823 -0.087 0.000 1.036 141 V HN 0.337 nan 8.190 nan 0.000 0.445 142 S N 2.385 118.142 115.700 0.095 0.000 2.726 142 S HA 0.734 5.204 4.470 -0.000 0.000 0.308 142 S C -1.041 173.554 174.600 -0.009 0.000 1.115 142 S CA -0.675 57.527 58.200 0.003 0.000 0.965 142 S CB 1.325 64.567 63.200 0.069 0.000 1.145 142 S HN 0.527 nan 8.310 nan 0.000 0.532 143 Y N 1.502 121.845 120.300 0.071 0.000 2.624 143 Y HA 0.482 5.032 4.550 -0.000 0.000 0.354 143 Y C 0.082 175.967 175.900 -0.024 0.000 1.051 143 Y CA -0.056 58.075 58.100 0.052 0.000 1.377 143 Y CB -0.674 37.795 38.460 0.014 0.000 1.168 143 Y HN 0.240 nan 8.280 nan 0.000 0.525 144 L N 2.017 123.244 121.223 0.006 0.000 2.397 144 L HA 0.523 4.863 4.340 -0.000 0.000 0.251 144 L C -0.600 176.089 176.870 -0.303 0.000 1.064 144 L CA -1.474 53.213 54.840 -0.256 0.000 0.859 144 L CB 2.132 43.831 42.059 -0.599 0.000 1.468 144 L HN 0.214 nan 8.230 nan 0.000 0.411 145 K N 0.887 121.102 120.400 -0.309 0.000 2.253 145 K HA 0.416 4.736 4.320 -0.000 0.000 0.277 145 K C -1.750 174.668 176.600 -0.302 0.000 1.053 145 K CA -0.272 55.898 56.287 -0.194 0.000 0.892 145 K CB 0.501 32.931 32.500 -0.116 0.000 1.102 145 K HN 0.355 nan 8.250 nan 0.000 0.469 146 Y N 4.575 124.821 120.300 -0.090 0.000 2.457 146 Y HA 0.376 4.926 4.550 -0.000 0.000 0.333 146 Y C -1.892 173.874 175.900 -0.224 0.000 1.119 146 Y CA -2.188 55.821 58.100 -0.153 0.000 1.143 146 Y CB 1.337 39.669 38.460 -0.213 0.000 1.230 146 Y HN 0.582 nan 8.280 nan 0.000 0.469 147 P HA 0.493 nan 4.420 nan 0.000 0.283 147 P C -1.045 175.970 177.300 -0.475 0.000 1.278 147 P CA -0.332 62.601 63.100 -0.277 0.000 0.834 147 P CB 2.119 33.632 31.700 -0.311 0.000 1.150 148 I N 0.861 121.120 120.570 -0.518 0.000 2.586 148 I HA 0.256 4.426 4.170 -0.000 0.000 0.288 148 I C -0.960 174.956 176.117 -0.335 0.000 1.147 148 I CA -0.782 60.255 61.300 -0.438 0.000 1.047 148 I CB 1.710 39.578 38.000 -0.220 0.000 1.244 148 I HN 0.212 nan 8.210 nan 0.000 0.429 149 Y N 6.010 126.325 120.300 0.025 0.000 2.331 149 Y HA 0.501 5.051 4.550 -0.000 0.000 0.338 149 Y C -0.448 175.530 175.900 0.131 0.000 0.992 149 Y CA -1.110 57.023 58.100 0.054 0.000 1.121 149 Y CB 1.106 39.574 38.460 0.012 0.000 1.184 149 Y HN 0.352 nan 8.280 nan 0.000 0.469 150 F N 2.406 122.431 119.950 0.125 0.000 2.482 150 F HA 0.850 5.377 4.527 -0.000 0.000 0.331 150 F C -0.024 175.828 175.800 0.086 0.000 1.115 150 F CA -1.142 56.903 58.000 0.074 0.000 0.955 150 F CB 1.583 40.603 39.000 0.032 0.000 1.136 150 F HN 0.545 nan 8.300 nan 0.000 0.452 151 G N 2.533 110.944 108.800 -0.649 0.000 2.461 151 G HA2 0.597 4.557 3.960 -0.000 0.000 0.323 151 G HA3 0.597 4.557 3.960 -0.000 0.000 0.323 151 G C -1.130 173.306 174.900 -0.773 0.000 1.229 151 G CA -0.778 44.087 45.100 -0.392 0.000 0.941 151 G HN 1.082 nan 8.290 nan 0.000 0.477 152 G N 0.038 108.638 108.800 -0.332 0.000 2.731 152 G HA2 0.516 4.476 3.960 -0.000 0.000 0.298 152 G HA3 0.516 4.476 3.960 -0.000 0.000 0.298 152 G C -1.469 173.528 174.900 0.162 0.000 1.424 152 G CA -0.721 44.249 45.100 -0.216 0.000 1.029 152 G HN 0.846 nan 8.290 nan 0.000 0.518 153 N N -0.070 118.672 118.700 0.070 0.000 2.416 153 N HA 0.738 5.478 4.740 -0.000 0.000 0.276 153 N C -0.633 174.845 175.510 -0.053 0.000 1.261 153 N CA -0.935 52.130 53.050 0.025 0.000 0.790 153 N CB 1.964 40.318 38.487 -0.221 0.000 1.554 153 N HN 0.665 nan 8.380 nan 0.000 0.481 154 R N 1.992 122.449 120.500 -0.071 0.000 2.522 154 R HA 0.723 5.063 4.340 -0.000 0.000 0.283 154 R C -0.792 175.442 176.300 -0.110 0.000 1.074 154 R CA -0.391 55.610 56.100 -0.166 0.000 0.925 154 R CB 0.739 30.801 30.300 -0.396 0.000 1.205 154 R HN 0.905 nan 8.270 nan 0.000 0.436 155 G N 2.488 111.253 108.800 -0.059 0.000 2.459 155 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.685 155 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.685 155 G C -1.323 173.618 174.900 0.069 0.000 1.303 155 G CA -1.121 43.983 45.100 0.006 0.000 0.907 155 G HN 0.640 nan 8.290 nan 0.000 0.632 156 R N -0.065 120.444 120.500 0.015 0.000 2.490 156 R HA 0.532 4.872 4.340 -0.000 0.000 0.278 156 R C 1.308 177.472 176.300 -0.228 0.000 1.069 156 R CA 0.270 56.328 56.100 -0.070 0.000 1.080 156 R CB 0.878 31.141 30.300 -0.062 0.000 1.030 156 R HN 0.922 nan 8.270 nan 0.000 0.491 157 G N 0.655 109.131 108.800 -0.541 0.000 2.653 157 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.265 157 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.265 157 G C 0.044 174.640 174.900 -0.506 0.000 1.237 157 G CA -0.276 44.313 45.100 -0.851 0.000 0.946 157 G HN 0.500 nan 8.290 nan 0.000 0.522 158 Q N -1.916 117.617 119.800 -0.445 0.000 2.350 158 Q HA 0.299 4.639 4.340 -0.000 0.000 0.225 158 Q C 0.284 176.093 176.000 -0.319 0.000 0.878 158 Q CA 0.218 55.839 55.803 -0.304 0.000 0.935 158 Q CB 1.257 29.871 28.738 -0.206 0.000 1.099 158 Q HN 0.254 nan 8.270 nan 0.000 0.527 159 V N 0.161 119.841 119.914 -0.391 0.000 2.925 159 V HA 0.422 4.542 4.120 -0.000 0.000 0.311 159 V C -1.178 174.647 176.094 -0.448 0.000 1.104 159 V CA -1.182 60.928 62.300 -0.316 0.000 0.954 159 V CB 1.748 33.458 31.823 -0.190 0.000 1.022 159 V HN -0.002 nan 8.190 nan 0.000 0.427 160 Y N 2.548 122.719 120.300 -0.215 0.000 2.488 160 Y HA 0.402 4.952 4.550 -0.000 0.000 0.325 160 Y C -1.480 174.220 175.900 -0.334 0.000 1.204 160 Y CA -1.826 56.079 58.100 -0.325 0.000 1.229 160 Y CB 1.139 39.477 38.460 -0.203 0.000 1.274 160 Y HN 0.407 nan 8.280 nan 0.000 0.493 161 P HA -0.211 nan 4.420 nan 0.000 0.217 161 P C 0.895 178.136 177.300 -0.098 0.000 1.148 161 P CA 2.110 65.075 63.100 -0.225 0.000 0.834 161 P CB 0.180 31.731 31.700 -0.247 0.000 0.783 162 D N -2.012 118.358 120.400 -0.050 0.000 2.347 162 D HA -0.032 4.608 4.640 -0.000 0.000 0.215 162 D C 1.526 177.816 176.300 -0.017 0.000 0.976 162 D CA 1.306 55.288 54.000 -0.030 0.000 0.884 162 D CB -0.535 40.248 40.800 -0.028 0.000 0.915 162 D HN 0.280 nan 8.370 nan 0.000 0.526 163 G N 0.418 109.213 108.800 -0.009 0.000 2.284 163 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 163 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 163 G C 0.221 175.127 174.900 0.010 0.000 1.009 163 G CA -0.005 45.088 45.100 -0.011 0.000 0.625 163 G HN 0.425 nan 8.290 nan 0.000 0.501 164 K N 1.748 122.180 120.400 0.053 0.000 2.355 164 K HA 0.351 4.671 4.320 -0.000 0.000 0.270 164 K C 1.049 177.725 176.600 0.127 0.000 1.003 164 K CA 0.021 56.358 56.287 0.083 0.000 0.957 164 K CB 0.785 33.338 32.500 0.088 0.000 0.939 164 K HN 0.334 nan 8.250 nan 0.000 0.482 165 K N 0.683 121.123 120.400 0.068 0.000 2.633 165 K HA 0.018 4.338 4.320 -0.000 0.000 0.283 165 K C 0.582 177.272 176.600 0.150 0.000 1.081 165 K CA 0.246 56.537 56.287 0.007 0.000 0.923 165 K CB 0.127 32.536 32.500 -0.152 0.000 1.110 165 K HN 0.818 nan 8.250 nan 0.000 0.480 166 S N -1.125 114.649 115.700 0.124 0.000 2.643 166 S HA 0.112 4.582 4.470 -0.000 0.000 0.270 166 S C 0.222 174.973 174.600 0.253 0.000 1.166 166 S CA -0.809 57.512 58.200 0.201 0.000 0.815 166 S CB 0.745 63.893 63.200 -0.086 0.000 1.139 166 S HN 0.700 nan 8.310 nan 0.000 0.472 167 N N 0.578 119.399 118.700 0.202 0.000 2.571 167 N HA -0.095 4.645 4.740 -0.000 0.000 0.189 167 N C 0.244 175.840 175.510 0.142 0.000 1.154 167 N CA 0.524 53.677 53.050 0.172 0.000 0.907 167 N CB -0.750 37.806 38.487 0.114 0.000 0.977 167 N HN 0.743 nan 8.380 nan 0.000 0.449 168 N N -0.496 118.256 118.700 0.087 0.000 2.458 168 N HA 0.055 4.795 4.740 -0.000 0.000 0.274 168 N C -0.886 174.633 175.510 0.015 0.000 1.242 168 N CA -0.105 52.969 53.050 0.040 0.000 0.904 168 N CB 0.523 39.002 38.487 -0.013 0.000 1.206 168 N HN 0.096 nan 8.380 nan 0.000 0.510 169 T N -0.686 113.903 114.554 0.059 0.000 2.716 169 T HA 0.492 4.842 4.350 -0.000 0.000 0.286 169 T C -0.927 173.789 174.700 0.027 0.000 1.052 169 T CA -0.481 61.604 62.100 -0.025 0.000 1.024 169 T CB 1.253 70.029 68.868 -0.153 0.000 1.349 169 T HN -0.070 nan 8.240 nan 0.000 0.525 170 I N 1.663 122.192 120.570 -0.069 0.000 2.488 170 I HA 0.410 4.580 4.170 -0.000 0.000 0.299 170 I C -1.084 174.941 176.117 -0.153 0.000 0.984 170 I CA -0.705 60.592 61.300 -0.006 0.000 1.250 170 I CB 1.157 39.146 38.000 -0.018 0.000 1.389 170 I HN 0.612 nan 8.210 nan 0.000 0.488 171 Y N 4.331 124.633 120.300 0.004 0.000 2.393 171 Y HA 0.403 4.953 4.550 0.000 0.000 0.341 171 Y C 0.118 176.019 175.900 0.001 0.000 0.988 171 Y CA -0.757 57.347 58.100 0.007 0.000 1.078 171 Y CB 1.371 39.842 38.460 0.018 0.000 1.203 171 Y HN 0.456 nan 8.280 nan 0.000 0.453 172 N N 0.921 119.672 118.700 0.086 0.000 2.362 172 N HA 0.547 5.287 4.740 -0.000 0.000 0.299 172 N C -0.969 174.576 175.510 0.059 0.000 1.170 172 N CA -0.892 52.190 53.050 0.052 0.000 0.825 172 N CB 2.009 40.500 38.487 0.007 0.000 1.299 172 N HN 0.689 nan 8.380 nan 0.000 0.502 173 A N 0.724 123.568 122.820 0.039 0.000 2.496 173 A HA 0.067 4.387 4.320 -0.000 0.000 0.278 173 A C 1.351 178.951 177.584 0.027 0.000 1.137 173 A CA -0.078 51.979 52.037 0.032 0.000 0.805 173 A CB -0.495 18.516 19.000 0.019 0.000 1.077 173 A HN 0.700 nan 8.150 nan 0.000 0.513 174 S N 1.624 117.345 115.700 0.034 0.000 2.520 174 S HA 0.250 4.720 4.470 -0.000 0.000 0.249 174 S C 0.723 175.334 174.600 0.018 0.000 0.983 174 S CA 0.877 59.094 58.200 0.027 0.000 0.958 174 S CB -0.656 62.564 63.200 0.033 0.000 0.750 174 S HN 2.205 nan 8.310 nan 0.000 0.527 175 A N -0.474 122.356 122.820 0.016 0.000 2.490 175 A HA 0.738 5.058 4.320 -0.000 0.000 0.292 175 A C -0.807 176.782 177.584 0.009 0.000 1.047 175 A CA -0.558 51.486 52.037 0.011 0.000 0.632 175 A CB -0.038 18.969 19.000 0.010 0.000 1.323 175 A HN 1.095 nan 8.150 nan 0.000 0.448 176 A N -0.546 122.278 122.820 0.006 0.000 2.316 176 A HA 0.940 5.260 4.320 -0.000 0.000 0.284 176 A C 0.718 178.305 177.584 0.005 0.000 1.115 176 A CA 0.623 52.663 52.037 0.005 0.000 0.812 176 A CB 0.552 19.554 19.000 0.003 0.000 1.064 176 A HN 2.807 nan 8.150 nan 0.000 0.489 177 G N 0.335 109.137 108.800 0.004 0.000 2.351 177 G HA2 0.375 4.335 3.960 -0.000 0.000 0.279 177 G HA3 0.375 4.335 3.960 -0.000 0.000 0.279 177 G C -1.203 173.698 174.900 0.002 0.000 1.297 177 G CA -0.414 44.688 45.100 0.003 0.000 0.886 177 G HN 0.821 nan 8.290 nan 0.000 0.493 178 K N 0.055 120.456 120.400 0.002 0.000 2.182 178 K HA 0.656 4.976 4.320 -0.000 0.000 0.262 178 K C -0.225 176.375 176.600 -0.000 0.000 0.957 178 K CA -0.837 55.450 56.287 -0.000 0.000 0.842 178 K CB 1.186 33.686 32.500 -0.000 0.000 1.099 178 K HN 0.364 nan 8.250 nan 0.000 0.438 179 I N 6.119 126.687 120.570 -0.003 0.000 2.389 179 I HA -0.045 4.125 4.170 -0.000 0.000 0.295 179 I C 1.432 177.547 176.117 -0.003 0.000 1.117 179 I CA -0.296 61.001 61.300 -0.005 0.000 1.317 179 I CB 0.787 38.779 38.000 -0.013 0.000 1.431 179 I HN 0.549 nan 8.210 nan 0.000 0.521 180 V N 3.522 123.436 119.914 0.001 0.000 2.951 180 V HA 0.395 4.515 4.120 -0.000 0.000 0.255 180 V C 0.818 176.915 176.094 0.005 0.000 1.088 180 V CA 0.712 63.013 62.300 0.003 0.000 1.109 180 V CB -0.321 31.505 31.823 0.005 0.000 0.724 180 V HN 0.740 nan 8.190 nan 0.000 0.471 181 A N 0.026 122.849 122.820 0.006 0.000 2.547 181 A HA 0.697 5.017 4.320 -0.000 0.000 0.300 181 A C -1.080 176.514 177.584 0.017 0.000 1.061 181 A CA -0.492 51.552 52.037 0.012 0.000 0.808 181 A CB 0.680 19.690 19.000 0.018 0.000 1.304 181 A HN 0.277 nan 8.150 nan 0.000 0.393 182 I N 3.459 124.038 120.570 0.014 0.000 2.347 182 I HA 0.333 4.503 4.170 -0.000 0.000 0.283 182 I C 0.492 176.667 176.117 0.096 0.000 1.058 182 I CA -0.204 61.106 61.300 0.017 0.000 1.202 182 I CB 1.421 39.377 38.000 -0.073 0.000 1.386 182 I HN 0.702 nan 8.210 nan 0.000 0.475 183 T N 2.581 117.217 114.554 0.137 0.000 2.824 183 T HA 0.777 5.127 4.350 -0.000 0.000 0.280 183 T C 0.133 174.959 174.700 0.211 0.000 0.995 183 T CA -0.731 61.461 62.100 0.154 0.000 1.009 183 T CB 2.001 70.915 68.868 0.076 0.000 0.955 183 T HN 0.474 nan 8.240 nan 0.000 0.452 184 A N 3.249 126.162 122.820 0.155 0.000 2.296 184 A HA 0.741 5.061 4.320 -0.000 0.000 0.264 184 A C -0.057 177.446 177.584 -0.134 0.000 1.097 184 A CA -0.794 51.177 52.037 -0.110 0.000 0.811 184 A CB 0.064 18.946 19.000 -0.196 0.000 1.072 184 A HN 0.908 nan 8.150 nan 0.000 0.495 185 L N -0.243 120.836 121.223 -0.240 0.000 2.286 185 L HA 0.388 4.728 4.340 -0.000 0.000 0.265 185 L C 0.656 177.440 176.870 -0.143 0.000 1.012 185 L CA -0.757 53.993 54.840 -0.149 0.000 0.818 185 L CB 1.625 43.600 42.059 -0.141 0.000 1.337 185 L HN 0.711 nan 8.230 nan 0.000 0.438 186 S N 0.474 116.119 115.700 -0.093 0.000 2.952 186 S HA -0.166 4.304 4.470 -0.000 0.000 0.351 186 S C 1.175 175.721 174.600 -0.090 0.000 1.211 186 S CA 0.376 58.531 58.200 -0.075 0.000 1.002 186 S CB 0.072 63.238 63.200 -0.056 0.000 0.702 186 S HN 0.775 nan 8.310 nan 0.000 0.495 187 E N 1.900 122.055 120.200 -0.074 0.000 2.273 187 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 187 E C 0.390 176.952 176.600 -0.064 0.000 1.002 187 E CA 0.941 57.298 56.400 -0.072 0.000 0.828 187 E CB 0.128 29.799 29.700 -0.048 0.000 0.747 187 E HN 0.272 nan 8.360 nan 0.000 0.491 188 K N 0.244 120.612 120.400 -0.054 0.000 2.981 188 K HA 0.092 4.412 4.320 -0.000 0.000 0.213 188 K C 0.307 176.879 176.600 -0.046 0.000 1.154 188 K CA 0.005 56.267 56.287 -0.043 0.000 1.111 188 K CB 1.137 33.619 32.500 -0.030 0.000 0.975 188 K HN -0.044 nan 8.250 nan 0.000 0.462 189 K N -0.504 119.857 120.400 -0.065 0.000 2.658 189 K HA 0.141 4.461 4.320 -0.000 0.000 0.202 189 K C 0.374 176.921 176.600 -0.089 0.000 1.563 189 K CA 0.929 57.176 56.287 -0.066 0.000 1.129 189 K CB 0.567 33.025 32.500 -0.069 0.000 1.507 189 K HN 0.248 nan 8.250 nan 0.000 0.581 190 G N 0.236 108.958 108.800 -0.129 0.000 2.860 190 G HA2 0.263 4.223 3.960 -0.000 0.000 0.553 190 G HA3 0.263 4.223 3.960 -0.000 0.000 0.553 190 G C 0.529 175.275 174.900 -0.258 0.000 1.439 190 G CA -0.059 44.934 45.100 -0.179 0.000 0.879 190 G HN 1.213 nan 8.290 nan 0.000 0.545 191 G N -1.588 106.993 108.800 -0.365 0.000 2.752 191 G HA2 0.353 4.313 3.960 -0.000 0.000 0.234 191 G HA3 0.353 4.313 3.960 -0.000 0.000 0.234 191 G C -0.174 174.292 174.900 -0.723 0.000 1.367 191 G CA 0.633 45.507 45.100 -0.377 0.000 0.879 191 G HN 1.966 nan 8.290 nan 0.000 0.563 192 F N -0.876 119.033 119.950 -0.069 0.000 2.790 192 F HA 0.743 5.270 4.527 -0.000 0.000 0.337 192 F C 0.270 176.040 175.800 -0.050 0.000 1.163 192 F CA -0.941 57.030 58.000 -0.049 0.000 0.997 192 F CB 1.615 40.590 39.000 -0.041 0.000 1.437 192 F HN 0.460 nan 8.300 nan 0.000 0.512 193 E N 0.931 121.251 120.200 0.199 0.000 2.279 193 E HA 0.424 4.774 4.350 -0.000 0.000 0.252 193 E C -1.599 175.054 176.600 0.088 0.000 0.894 193 E CA -0.480 55.978 56.400 0.098 0.000 0.785 193 E CB 2.399 32.134 29.700 0.058 0.000 1.237 193 E HN 0.229 nan 8.360 nan 0.000 0.418 194 V N 2.850 122.800 119.914 0.059 0.000 2.389 194 V HA 0.092 4.212 4.120 -0.000 0.000 0.264 194 V C 0.169 176.278 176.094 0.025 0.000 1.049 194 V CA -0.106 62.210 62.300 0.027 0.000 0.932 194 V CB 1.087 32.913 31.823 0.004 0.000 1.011 194 V HN 0.546 nan 8.190 nan 0.000 0.475 195 S N 6.706 122.419 115.700 0.021 0.000 2.452 195 S HA 0.598 5.068 4.470 -0.000 0.000 0.284 195 S C -0.212 174.395 174.600 0.012 0.000 1.171 195 S CA -0.255 57.956 58.200 0.018 0.000 1.064 195 S CB 0.385 63.596 63.200 0.018 0.000 0.967 195 S HN 0.524 nan 8.310 nan 0.000 0.484 196 I N 2.713 123.290 120.570 0.012 0.000 2.389 196 I HA 0.304 4.474 4.170 -0.000 0.000 0.288 196 I C 0.215 176.338 176.117 0.009 0.000 0.999 196 I CA -0.393 60.913 61.300 0.009 0.000 1.129 196 I CB 1.591 39.597 38.000 0.011 0.000 1.288 196 I HN 0.531 nan 8.210 nan 0.000 0.444 197 E N 7.400 127.604 120.200 0.006 0.000 2.115 197 E HA 0.263 4.613 4.350 -0.000 0.000 0.282 197 E C -0.278 176.325 176.600 0.005 0.000 0.987 197 E CA -0.517 55.886 56.400 0.006 0.000 0.797 197 E CB 0.908 30.611 29.700 0.005 0.000 1.086 197 E HN 0.458 nan 8.360 nan 0.000 0.397 198 K N 2.002 122.405 120.400 0.005 0.000 2.633 198 K HA 0.101 4.421 4.320 -0.000 0.000 0.283 198 K C 0.987 177.590 176.600 0.004 0.000 1.081 198 K CA 0.471 56.761 56.287 0.005 0.000 0.923 198 K CB 0.114 32.617 32.500 0.005 0.000 1.110 198 K HN 0.564 nan 8.250 nan 0.000 0.480 199 A N 0.729 123.551 122.820 0.003 0.000 1.956 199 A HA -0.082 4.238 4.320 -0.000 0.000 0.212 199 A C 1.615 179.201 177.584 0.003 0.000 1.188 199 A CA 1.104 53.142 52.037 0.002 0.000 0.675 199 A CB -0.710 18.292 19.000 0.002 0.000 0.845 199 A HN 0.783 nan 8.150 nan 0.000 0.455 200 N N -0.939 117.763 118.700 0.003 0.000 2.520 200 N HA 0.224 4.964 4.740 -0.000 0.000 0.185 200 N C 1.106 176.618 175.510 0.003 0.000 1.068 200 N CA 1.657 54.708 53.050 0.003 0.000 0.911 200 N CB -0.143 38.346 38.487 0.003 0.000 0.961 200 N HN 0.737 nan 8.380 nan 0.000 0.446 201 G N -1.480 107.322 108.800 0.003 0.000 2.253 201 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.209 201 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.209 201 G C -0.358 174.545 174.900 0.004 0.000 0.997 201 G CA -0.206 44.896 45.100 0.003 0.000 0.640 201 G HN 0.283 nan 8.290 nan 0.000 0.496 202 E N 0.551 120.754 120.200 0.005 0.000 2.413 202 E HA 0.407 4.757 4.350 -0.000 0.000 0.263 202 E C 0.179 176.783 176.600 0.006 0.000 1.015 202 E CA 0.136 56.539 56.400 0.005 0.000 0.916 202 E CB 1.719 31.423 29.700 0.006 0.000 0.947 202 E HN 0.304 nan 8.360 nan 0.000 0.440 203 V N 3.773 123.691 119.914 0.007 0.000 2.384 203 V HA 0.255 4.375 4.120 -0.000 0.000 0.287 203 V C 0.238 176.339 176.094 0.011 0.000 1.020 203 V CA -0.837 61.469 62.300 0.009 0.000 0.850 203 V CB 1.453 33.281 31.823 0.009 0.000 0.987 203 V HN 0.458 nan 8.190 nan 0.000 0.436 204 V N 3.367 123.288 119.914 0.012 0.000 2.732 204 V HA 0.832 4.952 4.120 -0.000 0.000 0.310 204 V C -0.367 175.738 176.094 0.019 0.000 1.053 204 V CA -0.711 61.598 62.300 0.015 0.000 0.957 204 V CB 1.922 33.754 31.823 0.016 0.000 1.018 204 V HN 0.471 nan 8.190 nan 0.000 0.452 205 V N 2.263 122.190 119.914 0.022 0.000 2.448 205 V HA 0.488 4.608 4.120 -0.000 0.000 0.295 205 V C -0.875 175.239 176.094 0.033 0.000 1.025 205 V CA -0.275 62.040 62.300 0.026 0.000 0.859 205 V CB 1.514 33.352 31.823 0.024 0.000 0.988 205 V HN 0.977 nan 8.190 nan 0.000 0.431 206 D N 3.647 124.070 120.400 0.039 0.000 2.454 206 D HA 0.287 4.927 4.640 -0.000 0.000 0.225 206 D C -0.054 176.274 176.300 0.047 0.000 1.081 206 D CA -0.588 53.443 54.000 0.052 0.000 0.864 206 D CB 1.646 42.481 40.800 0.059 0.000 1.040 206 D HN 0.316 nan 8.370 nan 0.000 0.517 207 K N 2.153 122.579 120.400 0.043 0.000 2.416 207 K HA 0.272 4.592 4.320 -0.000 0.000 0.283 207 K C -0.403 176.167 176.600 -0.050 0.000 1.037 207 K CA 0.185 56.480 56.287 0.015 0.000 0.995 207 K CB 0.297 32.808 32.500 0.018 0.000 0.938 207 K HN 0.405 nan 8.250 nan 0.000 0.475 208 I N 7.428 127.941 120.570 -0.096 0.000 2.466 208 I HA 0.348 4.518 4.170 -0.000 0.000 0.289 208 I C -2.021 173.960 176.117 -0.228 0.000 1.026 208 I CA -2.370 58.744 61.300 -0.311 0.000 1.078 208 I CB 2.069 39.967 38.000 -0.170 0.000 1.249 208 I HN 0.614 nan 8.210 nan 0.000 0.429 209 P HA 0.255 nan 4.420 nan 0.000 0.279 209 P C -0.560 176.689 177.300 -0.084 0.000 1.282 209 P CA -0.345 62.659 63.100 -0.159 0.000 0.788 209 P CB 0.837 32.473 31.700 -0.108 0.000 1.139 210 A N -1.183 121.613 122.820 -0.040 0.000 2.313 210 A HA 0.580 4.900 4.320 -0.000 0.000 0.261 210 A C 1.119 178.721 177.584 0.030 0.000 1.090 210 A CA 0.596 52.633 52.037 -0.001 0.000 0.807 210 A CB -0.695 18.294 19.000 -0.019 0.000 1.055 210 A HN 0.847 nan 8.150 nan 0.000 0.492 211 G N -0.161 108.672 108.800 0.055 0.000 3.178 211 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.200 211 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.200 211 G C -2.262 172.683 174.900 0.075 0.000 1.831 211 G CA -0.061 45.077 45.100 0.064 0.000 1.470 211 G HN 0.965 nan 8.290 nan 0.000 0.591 212 P HA 0.362 nan 4.420 nan 0.000 0.271 212 P C -1.190 176.152 177.300 0.070 0.000 1.216 212 P CA 0.261 63.413 63.100 0.087 0.000 0.771 212 P CB 0.888 32.668 31.700 0.132 0.000 0.864 213 D N 2.875 123.306 120.400 0.051 0.000 2.225 213 D HA 0.244 4.884 4.640 -0.000 0.000 0.248 213 D C 0.702 176.986 176.300 -0.026 0.000 1.096 213 D CA -0.333 53.681 54.000 0.022 0.000 0.863 213 D CB 1.209 42.022 40.800 0.021 0.000 1.156 213 D HN 0.281 nan 8.370 nan 0.000 0.450 214 L N 1.851 123.007 121.223 -0.110 0.000 2.485 214 L HA 0.013 4.353 4.340 -0.000 0.000 0.275 214 L C 1.146 177.956 176.870 -0.100 0.000 1.207 214 L CA 0.092 54.835 54.840 -0.162 0.000 0.855 214 L CB 0.245 42.090 42.059 -0.357 0.000 1.114 214 L HN 0.446 nan 8.230 nan 0.000 0.485 215 I N 1.068 121.595 120.570 -0.071 0.000 3.621 215 I HA 0.281 4.451 4.170 -0.000 0.000 0.325 215 I C -0.312 175.777 176.117 -0.045 0.000 1.554 215 I CA -0.430 60.843 61.300 -0.046 0.000 1.053 215 I CB 0.788 38.776 38.000 -0.020 0.000 1.302 215 I HN 0.182 nan 8.210 nan 0.000 0.518 216 V N -0.650 119.224 119.914 -0.067 0.000 2.789 216 V HA 0.757 4.877 4.120 -0.000 0.000 0.311 216 V C -0.386 175.665 176.094 -0.072 0.000 1.073 216 V CA -0.623 61.643 62.300 -0.056 0.000 0.921 216 V CB 1.839 33.633 31.823 -0.047 0.000 1.009 216 V HN 0.450 nan 8.190 nan 0.000 0.426 217 K N 2.278 122.647 120.400 -0.052 0.000 2.245 217 K HA 0.677 4.997 4.320 -0.000 0.000 0.234 217 K C -0.327 176.249 176.600 -0.040 0.000 1.021 217 K CA -0.786 55.470 56.287 -0.051 0.000 0.898 217 K CB 1.920 34.398 32.500 -0.036 0.000 1.163 217 K HN 0.748 nan 8.250 nan 0.000 0.459 218 E N -0.669 119.511 120.200 -0.033 0.000 2.390 218 E HA 0.165 4.515 4.350 -0.000 0.000 0.261 218 E C 0.498 177.090 176.600 -0.015 0.000 1.076 218 E CA 0.864 57.252 56.400 -0.022 0.000 0.905 218 E CB 0.750 30.441 29.700 -0.014 0.000 0.984 218 E HN 0.895 nan 8.360 nan 0.000 0.427 219 G N 1.916 110.710 108.800 -0.010 0.000 2.284 219 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.247 219 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.247 219 G C 0.272 175.167 174.900 -0.008 0.000 1.012 219 G CA 0.640 45.735 45.100 -0.007 0.000 0.618 219 G HN 0.619 nan 8.290 nan 0.000 0.521 220 Q N 1.155 120.948 119.800 -0.011 0.000 2.340 220 Q HA 0.629 4.969 4.340 -0.000 0.000 0.249 220 Q C -0.247 175.748 176.000 -0.008 0.000 0.957 220 Q CA 0.306 56.103 55.803 -0.010 0.000 0.882 220 Q CB 0.827 29.557 28.738 -0.013 0.000 1.235 220 Q HN 0.214 nan 8.270 nan 0.000 0.439 221 T N 1.869 116.420 114.554 -0.006 0.000 2.922 221 T HA 0.540 4.890 4.350 -0.000 0.000 0.285 221 T C -0.319 174.379 174.700 -0.003 0.000 1.005 221 T CA -0.569 61.529 62.100 -0.004 0.000 1.061 221 T CB 1.336 70.202 68.868 -0.002 0.000 1.007 221 T HN 0.636 nan 8.240 nan 0.000 0.502 222 V N 0.366 120.279 119.914 -0.002 0.000 3.007 222 V HA 0.629 4.749 4.120 -0.000 0.000 0.311 222 V C -1.132 174.963 176.094 0.001 0.000 1.120 222 V CA -1.315 60.984 62.300 -0.001 0.000 0.980 222 V CB 1.866 33.689 31.823 0.000 0.000 1.033 222 V HN 0.833 nan 8.190 nan 0.000 0.429 223 Q N 2.181 121.982 119.800 0.001 0.000 2.243 223 Q HA 0.736 5.076 4.340 -0.000 0.000 0.252 223 Q C 0.426 176.428 176.000 0.003 0.000 0.909 223 Q CA -0.215 55.589 55.803 0.002 0.000 0.922 223 Q CB 1.844 30.583 28.738 0.000 0.000 1.215 223 Q HN 1.243 nan 8.270 nan 0.000 0.427 224 A N 2.030 124.852 122.820 0.004 0.000 2.577 224 A HA -0.104 4.216 4.320 -0.000 0.000 0.233 224 A C 0.613 178.199 177.584 0.004 0.000 1.076 224 A CA 0.536 52.576 52.037 0.005 0.000 0.767 224 A CB -0.006 18.996 19.000 0.004 0.000 1.017 224 A HN 1.021 nan 8.150 nan 0.000 0.511 225 D N -1.438 118.965 120.400 0.005 0.000 3.059 225 D HA -0.169 4.471 4.640 -0.000 0.000 0.213 225 D C 0.503 176.804 176.300 0.001 0.000 1.144 225 D CA 1.832 55.832 54.000 0.001 0.000 0.975 225 D CB -0.615 40.183 40.800 -0.004 0.000 1.125 225 D HN 0.869 nan 8.370 nan 0.000 0.412 226 Q N 0.908 120.711 119.800 0.005 0.000 2.352 226 Q HA 0.227 4.567 4.340 -0.000 0.000 0.260 226 Q C -2.364 173.643 176.000 0.011 0.000 0.976 226 Q CA -1.089 54.717 55.803 0.005 0.000 0.881 226 Q CB 1.190 29.930 28.738 0.004 0.000 1.235 226 Q HN 0.028 nan 8.270 nan 0.000 0.419 227 P HA -0.022 nan 4.420 nan 0.000 0.271 227 P C -0.287 177.026 177.300 0.022 0.000 1.226 227 P CA 0.455 63.567 63.100 0.020 0.000 0.765 227 P CB 0.727 32.435 31.700 0.014 0.000 0.835 228 L N 2.096 123.344 121.223 0.040 0.000 2.463 228 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 228 L C 1.505 178.381 176.870 0.010 0.000 1.088 228 L CA 0.809 55.662 54.840 0.021 0.000 0.849 228 L CB -0.142 41.938 42.059 0.034 0.000 1.012 228 L HN 0.476 nan 8.230 nan 0.000 0.468 229 T N -3.250 111.333 114.554 0.048 0.000 2.858 229 T HA 0.354 4.704 4.350 -0.000 0.000 0.285 229 T C -0.186 174.541 174.700 0.046 0.000 1.052 229 T CA -0.963 61.164 62.100 0.045 0.000 1.009 229 T CB 1.887 70.813 68.868 0.097 0.000 1.241 229 T HN 0.047 nan 8.240 nan 0.000 0.542 230 N N 0.664 119.388 118.700 0.041 0.000 2.431 230 N HA 0.187 4.927 4.740 -0.000 0.000 0.289 230 N C -0.775 174.765 175.510 0.049 0.000 1.277 230 N CA -0.653 52.418 53.050 0.035 0.000 0.972 230 N CB 0.223 38.727 38.487 0.028 0.000 1.143 230 N HN 0.685 nan 8.380 nan 0.000 0.578 231 N N 0.543 119.266 118.700 0.038 0.000 2.546 231 N HA 0.232 4.972 4.740 -0.000 0.000 0.238 231 N C -1.760 173.774 175.510 0.041 0.000 0.984 231 N CA -1.747 51.326 53.050 0.037 0.000 0.935 231 N CB 1.097 39.596 38.487 0.020 0.000 1.122 231 N HN 0.413 nan 8.380 nan 0.000 0.510 232 P HA -0.124 nan 4.420 nan 0.000 0.217 232 P C 0.202 177.529 177.300 0.044 0.000 1.150 232 P CA 0.489 63.620 63.100 0.052 0.000 0.832 232 P CB 0.110 31.849 31.700 0.065 0.000 0.787 233 N N 1.074 119.795 118.700 0.034 0.000 2.132 233 N HA -0.055 4.685 4.740 -0.000 0.000 0.280 233 N C 0.755 176.290 175.510 0.041 0.000 1.318 233 N CA 0.523 53.589 53.050 0.027 0.000 0.822 233 N CB 0.232 38.724 38.487 0.008 0.000 1.058 233 N HN -0.047 nan 8.380 nan 0.000 0.489 234 V N 1.070 121.015 119.914 0.052 0.000 3.346 234 V HA 0.539 4.659 4.120 -0.000 0.000 0.309 234 V C 1.088 177.234 176.094 0.086 0.000 1.457 234 V CA 0.260 62.603 62.300 0.071 0.000 1.069 234 V CB 0.052 31.925 31.823 0.083 0.000 0.944 234 V HN 0.491 nan 8.190 nan 0.000 0.449 235 G N 0.039 108.878 108.800 0.065 0.000 2.641 235 G HA2 0.752 4.712 3.960 -0.000 0.000 0.239 235 G HA3 0.752 4.712 3.960 -0.000 0.000 0.239 235 G C 0.023 174.966 174.900 0.071 0.000 1.402 235 G CA -0.428 44.705 45.100 0.056 0.000 1.046 235 G HN 1.343 nan 8.290 nan 0.000 0.565 236 G N -2.165 106.683 108.800 0.081 0.000 2.429 236 G HA2 0.464 4.424 3.960 -0.000 0.000 0.300 236 G HA3 0.464 4.424 3.960 -0.000 0.000 0.300 236 G C -1.913 173.077 174.900 0.151 0.000 1.598 236 G CA -0.681 44.484 45.100 0.108 0.000 0.863 236 G HN 0.757 nan 8.290 nan 0.000 0.614 237 F N 1.359 121.298 119.950 -0.018 0.000 2.458 237 F HA 0.869 5.396 4.527 -0.000 0.000 0.330 237 F C 0.310 176.074 175.800 -0.061 0.000 1.082 237 F CA -0.742 57.216 58.000 -0.070 0.000 0.995 237 F CB 2.195 41.152 39.000 -0.073 0.000 1.170 237 F HN 0.815 nan 8.300 nan 0.000 0.478 238 G N 4.953 113.214 108.800 -0.898 0.000 2.731 238 G HA2 0.470 4.430 3.960 -0.000 0.000 0.298 238 G HA3 0.470 4.430 3.960 -0.000 0.000 0.298 238 G C -1.886 172.424 174.900 -0.983 0.000 1.424 238 G CA -0.743 43.871 45.100 -0.810 0.000 1.029 238 G HN 0.653 nan 8.290 nan 0.000 0.518 239 Q N -0.493 118.877 119.800 -0.718 0.000 2.195 239 Q HA 0.809 5.149 4.340 -0.000 0.000 0.250 239 Q C -0.349 175.570 176.000 -0.135 0.000 0.988 239 Q CA -0.814 54.740 55.803 -0.415 0.000 0.911 239 Q CB 2.433 30.992 28.738 -0.300 0.000 1.258 239 Q HN 0.912 nan 8.270 nan 0.000 0.475 240 A N 0.834 123.662 122.820 0.013 0.000 2.597 240 A HA 0.537 4.857 4.320 -0.000 0.000 0.292 240 A C -1.778 175.904 177.584 0.164 0.000 1.057 240 A CA -0.593 51.506 52.037 0.104 0.000 0.674 240 A CB 1.968 21.081 19.000 0.188 0.000 1.278 240 A HN 0.718 nan 8.150 nan 0.000 0.416 241 E N -0.208 120.074 120.200 0.135 0.000 2.393 241 E HA 0.797 5.147 4.350 -0.000 0.000 0.273 241 E C -0.850 175.796 176.600 0.078 0.000 0.918 241 E CA -0.211 56.289 56.400 0.167 0.000 0.773 241 E CB 2.397 32.225 29.700 0.213 0.000 1.275 241 E HN 0.989 nan 8.360 nan 0.000 0.451 242 T N 0.793 115.363 114.554 0.026 0.000 2.677 242 T HA 0.355 4.705 4.350 -0.000 0.000 0.305 242 T C -1.756 172.904 174.700 -0.066 0.000 1.569 242 T CA -0.523 61.567 62.100 -0.016 0.000 0.984 242 T CB 1.379 70.233 68.868 -0.023 0.000 1.629 242 T HN 0.532 nan 8.240 nan 0.000 0.494 243 E N -0.039 120.123 120.200 -0.063 0.000 2.410 243 E HA 0.785 5.135 4.350 -0.000 0.000 0.269 243 E C -1.480 175.069 176.600 -0.085 0.000 0.937 243 E CA -0.873 55.479 56.400 -0.081 0.000 0.793 243 E CB 2.813 32.480 29.700 -0.056 0.000 1.314 243 E HN 0.474 nan 8.360 nan 0.000 0.447 244 I N 0.635 121.152 120.570 -0.089 0.000 2.692 244 I HA 0.240 4.410 4.170 -0.000 0.000 0.293 244 I C -1.826 174.272 176.117 -0.030 0.000 1.200 244 I CA -0.690 60.547 61.300 -0.104 0.000 1.036 244 I CB 2.108 39.985 38.000 -0.205 0.000 1.258 244 I HN 0.312 nan 8.210 nan 0.000 0.421 245 V N 7.649 127.546 119.914 -0.029 0.000 2.350 245 V HA 0.332 4.452 4.120 -0.000 0.000 0.276 245 V C -0.279 175.859 176.094 0.073 0.000 1.028 245 V CA -0.701 61.612 62.300 0.023 0.000 0.860 245 V CB 1.250 33.073 31.823 0.000 0.000 0.990 245 V HN 0.549 nan 8.190 nan 0.000 0.453 246 L N 6.330 127.664 121.223 0.186 0.000 2.433 246 L HA 0.309 4.649 4.340 -0.000 0.000 0.284 246 L C 0.371 177.397 176.870 0.260 0.000 1.120 246 L CA 0.651 55.618 54.840 0.211 0.000 0.879 246 L CB 0.131 42.366 42.059 0.294 0.000 1.232 246 L HN 0.606 nan 8.230 nan 0.000 0.454 247 Q N 3.498 123.415 119.800 0.195 0.000 2.260 247 Q HA 0.236 4.576 4.340 -0.000 0.000 0.238 247 Q C -0.453 175.683 176.000 0.228 0.000 0.948 247 Q CA -0.068 55.841 55.803 0.176 0.000 0.895 247 Q CB 1.390 30.158 28.738 0.051 0.000 1.218 247 Q HN 0.712 nan 8.270 nan 0.000 0.470 248 N N 1.881 120.532 118.700 -0.082 0.000 2.524 248 N HA 0.239 4.979 4.740 -0.000 0.000 0.261 248 N C -2.081 173.303 175.510 -0.209 0.000 0.998 248 N CA -1.721 51.121 53.050 -0.348 0.000 0.915 248 N CB 1.276 39.047 38.487 -1.193 0.000 1.187 248 N HN 0.090 nan 8.380 nan 0.000 0.507 249 P HA -0.284 nan 4.420 nan 0.000 0.220 249 P C 1.052 178.286 177.300 -0.110 0.000 1.155 249 P CA 1.582 64.632 63.100 -0.082 0.000 0.880 249 P CB 0.228 31.900 31.700 -0.047 0.000 0.790 250 A N -0.433 122.308 122.820 -0.132 0.000 1.948 250 A HA -0.293 4.027 4.320 -0.000 0.000 0.220 250 A C 2.218 179.716 177.584 -0.143 0.000 1.177 250 A CA 1.947 53.907 52.037 -0.129 0.000 0.636 250 A CB -1.045 17.873 19.000 -0.137 0.000 0.815 250 A HN 0.147 nan 8.150 nan 0.000 0.449 251 R N -0.574 119.819 120.500 -0.177 0.000 2.070 251 R HA -0.052 4.288 4.340 -0.000 0.000 0.233 251 R C 2.038 178.241 176.300 -0.160 0.000 1.137 251 R CA 1.679 57.677 56.100 -0.170 0.000 0.945 251 R CB -0.555 29.635 30.300 -0.183 0.000 0.845 251 R HN 0.584 nan 8.270 nan 0.000 0.430 252 I N 1.111 121.594 120.570 -0.146 0.000 2.361 252 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 252 I C 2.346 178.362 176.117 -0.169 0.000 1.133 252 I CA 1.329 62.538 61.300 -0.151 0.000 1.413 252 I CB -0.348 37.588 38.000 -0.107 0.000 1.073 252 I HN 0.272 nan 8.210 nan 0.000 0.424 253 Q N 0.765 120.483 119.800 -0.137 0.000 2.016 253 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 253 Q C 2.464 178.374 176.000 -0.150 0.000 0.978 253 Q CA 1.694 57.421 55.803 -0.127 0.000 0.833 253 Q CB -0.507 28.174 28.738 -0.095 0.000 0.895 253 Q HN 0.613 nan 8.270 nan 0.000 0.427 254 G N 1.361 110.078 108.800 -0.139 0.000 2.476 254 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 254 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 254 G C 1.408 176.208 174.900 -0.167 0.000 1.164 254 G CA 0.940 45.964 45.100 -0.127 0.000 0.768 254 G HN 0.260 nan 8.290 nan 0.000 0.560 255 L N 0.428 121.503 121.223 -0.247 0.000 2.043 255 L HA -0.032 4.308 4.340 -0.000 0.000 0.212 255 L C 2.721 179.198 176.870 -0.656 0.000 1.075 255 L CA 1.518 56.105 54.840 -0.422 0.000 0.752 255 L CB -0.371 41.399 42.059 -0.481 0.000 0.891 255 L HN 0.253 nan 8.230 nan 0.000 0.432 256 L N -2.005 118.939 121.223 -0.465 0.000 2.027 256 L HA -0.185 4.155 4.340 -0.000 0.000 0.206 256 L C 2.424 179.153 176.870 -0.234 0.000 1.074 256 L CA 1.029 55.661 54.840 -0.346 0.000 0.745 256 L CB -0.649 41.298 42.059 -0.186 0.000 0.898 256 L HN 0.100 nan 8.230 nan 0.000 0.433 257 V N -0.342 119.423 119.914 -0.249 0.000 2.332 257 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 257 V C 2.273 178.026 176.094 -0.569 0.000 1.055 257 V CA 1.925 63.988 62.300 -0.394 0.000 1.038 257 V CB -0.650 30.965 31.823 -0.345 0.000 0.651 257 V HN 0.334 nan 8.190 nan 0.000 0.450 258 F N 0.468 120.180 119.950 -0.397 0.000 2.095 258 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 258 F C 2.175 178.011 175.800 0.059 0.000 1.104 258 F CA 1.429 59.342 58.000 -0.145 0.000 1.232 258 F CB -0.622 38.360 39.000 -0.030 0.000 0.987 258 F HN 0.119 nan 8.300 nan 0.000 0.475 259 F N 0.538 120.387 119.950 -0.169 0.000 2.087 259 F HA -0.353 4.174 4.527 -0.000 0.000 0.299 259 F C 2.841 178.497 175.800 -0.240 0.000 1.100 259 F CA 1.059 58.932 58.000 -0.212 0.000 1.226 259 F CB -0.863 38.090 39.000 -0.078 0.000 0.983 259 F HN 0.179 nan 8.300 nan 0.000 0.479 260 S N 0.426 116.098 115.700 -0.046 0.000 2.382 260 S HA -0.206 4.264 4.470 -0.000 0.000 0.228 260 S C 1.694 176.285 174.600 -0.015 0.000 1.027 260 S CA 0.971 59.124 58.200 -0.078 0.000 0.991 260 S CB -1.071 62.042 63.200 -0.146 0.000 0.823 260 S HN 0.188 nan 8.310 nan 0.000 0.469 261 F N 2.027 121.918 119.950 -0.099 0.000 2.134 261 F HA 0.044 4.571 4.527 0.000 0.000 0.299 261 F C 2.634 178.320 175.800 -0.189 0.000 1.097 261 F CA -0.259 57.663 58.000 -0.129 0.000 1.264 261 F CB -1.316 37.606 39.000 -0.130 0.000 1.001 261 F HN 0.079 nan 8.300 nan 0.000 0.479 262 V N -0.020 119.816 119.914 -0.130 0.000 2.244 262 V HA -0.262 3.858 4.120 -0.000 0.000 0.244 262 V C 2.445 178.485 176.094 -0.091 0.000 1.042 262 V CA 1.531 63.720 62.300 -0.185 0.000 1.006 262 V CB -0.976 30.658 31.823 -0.316 0.000 0.641 262 V HN 0.255 nan 8.190 nan 0.000 0.446 263 L N -0.292 120.880 121.223 -0.085 0.000 2.021 263 L HA -0.219 4.121 4.340 -0.000 0.000 0.215 263 L C 2.223 179.079 176.870 -0.023 0.000 1.074 263 L CA 1.876 56.682 54.840 -0.058 0.000 0.760 263 L CB -0.762 41.267 42.059 -0.049 0.000 0.889 263 L HN 0.256 nan 8.230 nan 0.000 0.433 264 L N -1.231 119.996 121.223 0.006 0.000 1.956 264 L HA -0.303 4.037 4.340 -0.000 0.000 0.216 264 L C 2.356 179.230 176.870 0.006 0.000 1.073 264 L CA 2.534 57.388 54.840 0.023 0.000 0.762 264 L CB -0.826 41.274 42.059 0.069 0.000 0.889 264 L HN 0.369 nan 8.230 nan 0.000 0.433 265 T N -0.346 114.209 114.554 0.002 0.000 2.653 265 T HA -0.315 4.035 4.350 -0.000 0.000 0.268 265 T C 1.761 176.452 174.700 -0.016 0.000 1.035 265 T CA 1.994 64.087 62.100 -0.012 0.000 1.154 265 T CB -0.315 68.540 68.868 -0.021 0.000 0.862 265 T HN 0.450 nan 8.240 nan 0.000 0.441 266 Q N 0.004 119.789 119.800 -0.025 0.000 2.096 266 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 266 Q C 2.601 178.592 176.000 -0.016 0.000 0.982 266 Q CA 1.282 57.071 55.803 -0.025 0.000 0.850 266 Q CB -0.410 28.305 28.738 -0.038 0.000 0.901 266 Q HN 0.355 nan 8.270 nan 0.000 0.422 267 V N 1.104 121.010 119.914 -0.014 0.000 2.295 267 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 267 V C 2.206 178.299 176.094 -0.002 0.000 1.049 267 V CA 1.537 63.832 62.300 -0.007 0.000 1.024 267 V CB -0.553 31.267 31.823 -0.005 0.000 0.648 267 V HN 0.385 nan 8.190 nan 0.000 0.447 268 L N -0.825 120.397 121.223 -0.001 0.000 2.081 268 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 268 L C 2.421 179.292 176.870 0.001 0.000 1.080 268 L CA 1.551 56.392 54.840 0.001 0.000 0.754 268 L CB -0.600 41.457 42.059 -0.002 0.000 0.893 268 L HN 0.337 nan 8.230 nan 0.000 0.433 269 L N -0.761 120.460 121.223 -0.002 0.000 1.976 269 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 269 L C 2.635 179.510 176.870 0.007 0.000 1.071 269 L CA 1.282 56.122 54.840 -0.001 0.000 0.746 269 L CB -0.551 41.505 42.059 -0.006 0.000 0.890 269 L HN 0.140 nan 8.230 nan 0.000 0.432 270 V N -0.298 119.620 119.914 0.006 0.000 2.515 270 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 270 V C 2.225 178.330 176.094 0.018 0.000 1.058 270 V CA 1.438 63.744 62.300 0.011 0.000 1.064 270 V CB -0.088 31.738 31.823 0.005 0.000 0.675 270 V HN 0.323 nan 8.190 nan 0.000 0.461 271 L N 0.063 121.295 121.223 0.015 0.000 2.056 271 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 271 L C 2.677 179.566 176.870 0.032 0.000 1.078 271 L CA 2.110 56.962 54.840 0.020 0.000 0.749 271 L CB -0.614 41.454 42.059 0.014 0.000 0.901 271 L HN 0.363 nan 8.230 nan 0.000 0.433 272 K N 1.092 121.510 120.400 0.031 0.000 2.097 272 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 272 K C 2.012 178.660 176.600 0.079 0.000 1.049 272 K CA 1.678 57.991 56.287 0.044 0.000 0.933 272 K CB -0.195 32.317 32.500 0.021 0.000 0.717 272 K HN 0.114 nan 8.250 nan 0.000 0.442 273 K N 0.685 121.125 120.400 0.067 0.000 2.009 273 K HA -0.180 4.140 4.320 -0.000 0.000 0.210 273 K C 1.856 178.520 176.600 0.108 0.000 1.049 273 K CA 1.806 58.152 56.287 0.097 0.000 0.929 273 K CB -0.131 32.406 32.500 0.062 0.000 0.714 273 K HN 0.071 nan 8.250 nan 0.000 0.440 274 K N 0.648 121.086 120.400 0.063 0.000 2.063 274 K HA -0.246 4.074 4.320 -0.000 0.000 0.208 274 K C 2.427 179.055 176.600 0.046 0.000 1.048 274 K CA 1.890 58.202 56.287 0.041 0.000 0.928 274 K CB -0.217 32.297 32.500 0.024 0.000 0.713 274 K HN 0.388 nan 8.250 nan 0.000 0.442 275 Q N 0.487 120.327 119.800 0.066 0.000 2.045 275 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 275 Q C 2.069 178.128 176.000 0.097 0.000 0.991 275 Q CA 1.782 57.627 55.803 0.071 0.000 0.851 275 Q CB -0.227 28.560 28.738 0.082 0.000 0.911 275 Q HN 0.287 nan 8.270 nan 0.000 0.418 276 F N 1.710 121.659 119.950 -0.003 0.000 2.216 276 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 276 F C 1.744 177.542 175.800 -0.005 0.000 1.085 276 F CA 1.625 59.622 58.000 -0.004 0.000 1.326 276 F CB -0.064 38.933 39.000 -0.004 0.000 1.027 276 F HN 0.201 nan 8.300 nan 0.000 0.497 277 E N -0.177 119.950 120.200 -0.122 0.000 2.265 277 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 277 E C 2.063 178.531 176.600 -0.219 0.000 0.996 277 E CA 0.638 56.919 56.400 -0.199 0.000 0.832 277 E CB -0.037 29.628 29.700 -0.059 0.000 0.756 277 E HN 0.293 nan 8.360 nan 0.000 0.491 278 K N 0.508 120.813 120.400 -0.160 0.000 1.991 278 K HA -0.145 4.175 4.320 -0.000 0.000 0.212 278 K C 2.261 178.750 176.600 -0.186 0.000 1.049 278 K CA 0.993 57.208 56.287 -0.121 0.000 0.932 278 K CB -0.776 31.686 32.500 -0.064 0.000 0.717 278 K HN 0.072 nan 8.250 nan 0.000 0.441 279 V N 2.247 121.994 119.914 -0.278 0.000 2.252 279 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 279 V C 2.589 178.447 176.094 -0.392 0.000 1.056 279 V CA 1.898 64.005 62.300 -0.322 0.000 1.022 279 V CB -0.692 30.887 31.823 -0.407 0.000 0.641 279 V HN 0.394 nan 8.190 nan 0.000 0.445 280 Q N -0.596 118.843 119.800 -0.602 0.000 2.077 280 Q HA -0.238 4.102 4.340 -0.000 0.000 0.206 280 Q C 2.382 178.248 176.000 -0.223 0.000 0.989 280 Q CA 1.842 57.398 55.803 -0.411 0.000 0.853 280 Q CB -0.436 28.068 28.738 -0.391 0.000 0.907 280 Q HN 0.507 nan 8.270 nan 0.000 0.418 281 L N 0.668 121.780 121.223 -0.184 0.000 2.042 281 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 281 L C 2.216 179.036 176.870 -0.085 0.000 1.076 281 L CA 2.076 56.855 54.840 -0.102 0.000 0.749 281 L CB -1.139 40.872 42.059 -0.079 0.000 0.893 281 L HN 0.210 nan 8.230 nan 0.000 0.432 282 A N 0.273 123.028 122.820 -0.108 0.000 1.851 282 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 282 A C 1.912 179.410 177.584 -0.144 0.000 1.195 282 A CA 1.790 53.779 52.037 -0.080 0.000 0.622 282 A CB -0.714 18.247 19.000 -0.065 0.000 0.831 282 A HN 0.645 nan 8.150 nan 0.000 0.444 283 E N -0.629 119.396 120.200 -0.292 0.000 2.463 283 E HA -0.098 4.252 4.350 -0.000 0.000 0.201 283 E C 1.271 177.771 176.600 -0.167 0.000 1.045 283 E CA 0.560 56.649 56.400 -0.519 0.000 0.872 283 E CB -0.185 29.238 29.700 -0.461 0.000 0.797 283 E HN 0.462 nan 8.360 nan 0.000 0.538 284 M N 0.635 120.198 119.600 -0.063 0.000 2.561 284 M HA 0.035 4.515 4.480 -0.000 0.000 0.238 284 M C 0.656 177.021 176.300 0.109 0.000 1.131 284 M CA 0.248 55.571 55.300 0.038 0.000 1.046 284 M CB -0.411 32.194 32.600 0.008 0.000 1.532 284 M HN -0.029 nan 8.290 nan 0.000 0.497 285 N N 0.182 118.942 118.700 0.100 0.000 2.444 285 N HA -0.004 4.736 4.740 -0.000 0.000 0.271 285 N C 0.467 176.149 175.510 0.286 0.000 1.069 285 N CA -0.035 53.130 53.050 0.193 0.000 0.965 285 N CB 1.010 39.602 38.487 0.175 0.000 1.092 285 N HN 0.006 nan 8.380 nan 0.000 0.476 286 F N 3.749 123.809 119.950 0.182 0.000 2.192 286 F HA -0.194 4.333 4.527 -0.000 0.000 0.301 286 F C 2.111 178.017 175.800 0.176 0.000 1.079 286 F CA 1.471 59.577 58.000 0.176 0.000 1.303 286 F CB 0.040 39.072 39.000 0.054 0.000 1.024 286 F HN 0.689 nan 8.300 nan 0.000 0.494 287 H N -1.991 117.340 119.070 0.436 0.000 2.543 287 H HA -0.160 4.396 4.556 -0.000 0.000 0.286 287 H C 2.103 177.491 175.328 0.101 0.000 1.037 287 H CA 1.413 57.679 56.048 0.364 0.000 1.250 287 H CB -0.471 29.450 29.762 0.266 0.000 1.373 287 H HN 0.459 nan 8.280 nan 0.000 0.580 288 H N 0.285 119.337 119.070 -0.030 0.000 2.436 288 H HA -0.060 4.496 4.556 -0.000 0.000 0.294 288 H C 1.245 176.288 175.328 -0.474 0.000 1.048 288 H CA 0.879 56.761 56.048 -0.278 0.000 1.353 288 H CB 0.434 29.941 29.762 -0.426 0.000 1.414 288 H HN 0.478 nan 8.280 nan 0.000 0.536 289 H N -1.529 117.484 119.070 -0.095 0.000 2.592 289 H HA 0.105 4.661 4.556 -0.000 0.000 0.265 289 H C 0.110 175.215 175.328 -0.372 0.000 0.955 289 H CA 0.193 56.083 56.048 -0.264 0.000 1.175 289 H CB 0.799 30.335 29.762 -0.377 0.000 1.433 289 H HN 0.362 nan 8.280 nan 0.000 0.537 290 H N 0.308 119.118 119.070 -0.434 0.000 2.782 290 H HA 0.108 4.664 4.556 -0.000 0.000 0.347 290 H C 0.301 175.407 175.328 -0.370 0.000 1.038 290 H CA -0.469 55.297 56.048 -0.471 0.000 1.255 290 H CB 1.162 30.597 29.762 -0.545 0.000 1.623 290 H HN 0.147 nan 8.280 nan 0.000 0.525 291 H N 3.948 122.721 119.070 -0.495 0.000 2.491 291 H HA -0.023 4.533 4.556 -0.000 0.000 0.290 291 H C 0.478 175.719 175.328 -0.145 0.000 1.050 291 H CA 1.132 57.039 56.048 -0.235 0.000 1.309 291 H CB 0.267 29.915 29.762 -0.190 0.000 1.392 291 H HN 0.692 nan 8.280 nan 0.000 0.554 292 H N 0.000 118.791 119.070 -0.465 0.000 2.539 292 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 292 H CA 0.000 55.998 56.048 -0.083 0.000 1.023 292 H CB 0.000 29.867 29.762 0.175 0.000 1.292 292 H HN 0.000 nan 8.280 nan 0.000 0.496