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 3haj_1_B DATA FIRST_RESID 17 DATA SEQUENCE DSFWEVGNYK RTVKRIDDGH RLCSDLMNCL HERARIEKAY AQQLTEWARR DATA SEQUENCE WRQLVEKGPQ YGTVEKAWMA FMSEAERVSE LHLEVKASLM NDDFEKIKNW DATA SEQUENCE QKEAFHKQMM GGFKETKEAE DGFRKAQKPW AKKLKEVEAA KKAHHAACKE DATA SEQUENCE EKLAISREAN SKADPSLNPE QLKKLQDKIE KCKQDVLKTK EKYEKSLKEL DATA SEQUENCE DQGTPQYMEN MEQVFEQCQQ FEEKRLRFFR EVLLEVQKHL DLSNVAGYKA DATA SEQUENCE IYHDLEQSIR AADAVEDLRW FRANHGPGMA MNWP 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 17 D HA 0.000 nan 4.640 nan 0.000 0.175 17 D C 0.000 176.317 176.300 0.028 0.000 2.045 17 D CA 0.000 54.010 54.000 0.017 0.000 0.868 17 D CB 0.000 40.816 40.800 0.027 0.000 0.688 18 S N -0.913 114.811 115.700 0.041 0.000 2.600 18 S HA 0.485 4.954 4.470 -0.002 0.000 0.300 18 S C 0.221 174.842 174.600 0.035 0.000 1.087 18 S CA -0.601 57.641 58.200 0.070 0.000 0.965 18 S CB 1.682 64.963 63.200 0.135 0.000 1.089 18 S HN 0.087 nan 8.310 nan 0.000 0.496 19 F N 2.169 122.026 119.950 -0.156 0.000 2.120 19 F HA -0.065 4.460 4.527 -0.002 0.000 0.300 19 F C 1.244 176.846 175.800 -0.331 0.000 1.095 19 F CA 1.919 59.716 58.000 -0.339 0.000 1.249 19 F CB -0.337 38.317 39.000 -0.577 0.000 0.995 19 F HN 0.738 nan 8.300 nan 0.000 0.480 20 W N 0.962 122.170 121.300 -0.153 0.000 2.519 20 W HA 0.012 4.671 4.660 -0.002 0.000 0.266 20 W C 1.179 177.565 176.519 -0.221 0.000 1.253 20 W CA 0.453 57.649 57.345 -0.248 0.000 1.274 20 W CB -0.558 28.858 29.460 -0.072 0.000 1.114 20 W HN -0.084 nan 8.180 nan 0.000 0.596 21 E N 0.938 121.178 120.200 0.067 0.000 2.414 21 E HA 0.016 4.365 4.350 -0.002 0.000 0.263 21 E C 0.115 176.720 176.600 0.009 0.000 1.000 21 E CA -0.312 56.135 56.400 0.078 0.000 0.914 21 E CB 0.858 30.593 29.700 0.058 0.000 0.948 21 E HN -0.335 nan 8.360 nan 0.000 0.444 22 V N 3.930 123.920 119.914 0.127 0.000 2.681 22 V HA -0.046 4.073 4.120 -0.002 0.000 0.306 22 V C 1.341 177.394 176.094 -0.069 0.000 1.077 22 V CA 2.008 64.372 62.300 0.106 0.000 1.224 22 V CB 0.452 32.382 31.823 0.178 0.000 0.879 22 V HN 1.084 nan 8.190 nan 0.000 0.494 23 G N 4.695 113.381 108.800 -0.190 0.000 2.143 23 G HA2 -0.270 3.689 3.960 -0.002 0.000 0.248 23 G HA3 -0.270 3.689 3.960 -0.002 0.000 0.248 23 G C 0.475 174.988 174.900 -0.644 0.000 0.991 23 G CA 0.417 45.224 45.100 -0.488 0.000 0.689 23 G HN 0.723 nan 8.290 nan 0.000 0.522 24 N N -0.315 118.064 118.700 -0.536 0.000 2.270 24 N HA 0.199 4.938 4.740 -0.002 0.000 0.198 24 N C 1.548 176.801 175.510 -0.429 0.000 1.117 24 N CA 0.608 53.414 53.050 -0.407 0.000 0.845 24 N CB -0.167 38.178 38.487 -0.237 0.000 0.980 24 N HN 0.703 nan 8.380 nan 0.000 0.486 25 Y N 0.724 120.733 120.300 -0.486 0.000 2.574 25 Y HA 0.017 4.566 4.550 -0.002 0.000 0.294 25 Y C 1.788 177.512 175.900 -0.294 0.000 1.142 25 Y CA 0.325 58.035 58.100 -0.650 0.000 1.314 25 Y CB -0.668 36.901 38.460 -1.485 0.000 0.991 25 Y HN 0.015 nan 8.280 nan 0.000 0.555 26 K N 1.165 121.381 120.400 -0.307 0.000 2.211 26 K HA -0.234 4.085 4.320 -0.002 0.000 0.204 26 K C 2.145 178.779 176.600 0.056 0.000 1.047 26 K CA 1.617 57.873 56.287 -0.051 0.000 0.935 26 K CB -0.367 32.023 32.500 -0.184 0.000 0.728 26 K HN 0.324 nan 8.250 nan 0.000 0.452 27 R N 1.102 121.619 120.500 0.028 0.000 2.120 27 R HA -0.112 4.227 4.340 -0.002 0.000 0.234 27 R C 2.347 178.719 176.300 0.121 0.000 1.123 27 R CA 2.078 58.218 56.100 0.065 0.000 0.975 27 R CB -0.333 29.997 30.300 0.051 0.000 0.866 27 R HN 0.571 nan 8.270 nan 0.000 0.446 28 T N -2.751 111.913 114.554 0.183 0.000 3.035 28 T HA 0.035 4.384 4.350 -0.002 0.000 0.259 28 T C 1.827 176.684 174.700 0.262 0.000 1.078 28 T CA 0.792 63.032 62.100 0.233 0.000 1.132 28 T CB -0.057 69.021 68.868 0.350 0.000 0.900 28 T HN 0.020 nan 8.240 nan 0.000 0.480 29 V N 1.759 121.857 119.914 0.306 0.000 2.407 29 V HA -0.069 4.050 4.120 -0.002 0.000 0.248 29 V C 2.810 179.042 176.094 0.230 0.000 1.055 29 V CA 1.966 64.453 62.300 0.312 0.000 1.049 29 V CB -0.609 31.433 31.823 0.366 0.000 0.662 29 V HN 0.538 nan 8.190 nan 0.000 0.455 30 K N -0.083 120.425 120.400 0.180 0.000 2.288 30 K HA -0.138 4.181 4.320 -0.002 0.000 0.201 30 K C 2.248 178.930 176.600 0.138 0.000 1.048 30 K CA 0.705 57.078 56.287 0.143 0.000 0.956 30 K CB -0.105 32.455 32.500 0.101 0.000 0.746 30 K HN 0.211 nan 8.250 nan 0.000 0.461 31 R N 1.156 121.741 120.500 0.142 0.000 2.285 31 R HA -0.074 4.265 4.340 -0.002 0.000 0.213 31 R C 2.011 178.391 176.300 0.134 0.000 1.068 31 R CA 0.743 56.910 56.100 0.111 0.000 1.004 31 R CB -0.112 30.246 30.300 0.096 0.000 0.873 31 R HN 0.429 nan 8.270 nan 0.000 0.467 32 I N -0.833 119.865 120.570 0.214 0.000 3.081 32 I HA -0.075 4.093 4.170 -0.002 0.000 0.274 32 I C 0.767 177.042 176.117 0.264 0.000 1.178 32 I CA 0.720 62.221 61.300 0.336 0.000 1.460 32 I CB 0.050 38.342 38.000 0.485 0.000 1.137 32 I HN -0.115 nan 8.210 nan 0.000 0.443 33 D N 1.816 122.344 120.400 0.213 0.000 2.149 33 D HA -0.201 4.438 4.640 -0.002 0.000 0.198 33 D C 1.590 177.931 176.300 0.068 0.000 0.990 33 D CA 1.436 55.545 54.000 0.183 0.000 0.839 33 D CB -0.237 40.687 40.800 0.207 0.000 0.948 33 D HN 0.449 nan 8.370 nan 0.000 0.460 34 D N 0.010 120.446 120.400 0.061 0.000 2.144 34 D HA -0.074 4.564 4.640 -0.002 0.000 0.200 34 D C 2.172 178.443 176.300 -0.047 0.000 0.978 34 D CA 1.108 55.118 54.000 0.017 0.000 0.833 34 D CB -0.601 40.212 40.800 0.022 0.000 0.961 34 D HN 0.252 nan 8.370 nan 0.000 0.470 35 G N 0.016 108.790 108.800 -0.044 0.000 2.476 35 G HA2 -0.342 3.616 3.960 -0.002 0.000 0.218 35 G HA3 -0.342 3.616 3.960 -0.002 0.000 0.218 35 G C 1.537 176.276 174.900 -0.269 0.000 1.164 35 G CA 1.392 46.460 45.100 -0.053 0.000 0.768 35 G HN 0.400 nan 8.290 nan 0.000 0.560 36 H N 0.206 118.722 119.070 -0.924 0.000 2.423 36 H HA 0.065 4.619 4.556 -0.002 0.000 0.297 36 H C 2.539 177.650 175.328 -0.362 0.000 1.075 36 H CA 1.566 56.962 56.048 -1.087 0.000 1.342 36 H CB -0.070 28.768 29.762 -1.538 0.000 1.395 36 H HN 0.325 nan 8.280 nan 0.000 0.530 37 R N 0.122 120.557 120.500 -0.109 0.000 2.073 37 R HA -0.107 4.232 4.340 -0.002 0.000 0.234 37 R C 1.981 178.263 176.300 -0.030 0.000 1.134 37 R CA 1.836 57.926 56.100 -0.016 0.000 0.952 37 R CB -0.236 30.083 30.300 0.033 0.000 0.850 37 R HN 0.403 nan 8.270 nan 0.000 0.433 38 L N -0.152 121.065 121.223 -0.010 0.000 2.217 38 L HA -0.156 4.183 4.340 -0.002 0.000 0.211 38 L C 2.679 179.699 176.870 0.250 0.000 1.107 38 L CA 0.596 55.495 54.840 0.099 0.000 0.783 38 L CB -0.294 41.786 42.059 0.035 0.000 0.919 38 L HN 0.352 nan 8.230 nan 0.000 0.442 39 C N -0.736 118.669 119.300 0.176 0.000 2.413 39 C HA -0.162 4.297 4.460 -0.002 0.000 0.276 39 C C 3.120 178.101 174.990 -0.016 0.000 1.236 39 C CA 1.380 60.497 59.018 0.165 0.000 1.735 39 C CB -0.669 27.120 27.740 0.081 0.000 2.031 39 C HN 0.523 nan 8.230 nan 0.000 0.474 40 S N 0.599 116.235 115.700 -0.108 0.000 2.368 40 S HA -0.159 4.310 4.470 -0.002 0.000 0.224 40 S C 1.455 176.052 174.600 -0.006 0.000 1.029 40 S CA 1.402 59.549 58.200 -0.089 0.000 0.988 40 S CB -0.405 62.734 63.200 -0.102 0.000 0.838 40 S HN 0.589 nan 8.310 nan 0.000 0.462 41 D N 1.575 121.988 120.400 0.023 0.000 2.104 41 D HA -0.056 4.583 4.640 -0.002 0.000 0.194 41 D C 1.905 178.236 176.300 0.052 0.000 0.994 41 D CA 0.651 54.681 54.000 0.049 0.000 0.830 41 D CB -0.468 40.369 40.800 0.062 0.000 0.959 41 D HN 0.205 nan 8.370 nan 0.000 0.452 42 L N 0.151 121.399 121.223 0.041 0.000 2.079 42 L HA -0.192 4.146 4.340 -0.002 0.000 0.210 42 L C 2.391 179.257 176.870 -0.007 0.000 1.081 42 L CA 1.015 55.831 54.840 -0.040 0.000 0.752 42 L CB -0.150 41.757 42.059 -0.253 0.000 0.896 42 L HN 0.111 nan 8.230 nan 0.000 0.433 43 M N -0.767 118.834 119.600 0.002 0.000 2.117 43 M HA -0.252 4.227 4.480 -0.002 0.000 0.262 43 M C 1.780 178.292 176.300 0.353 0.000 1.065 43 M CA 2.115 57.469 55.300 0.090 0.000 1.114 43 M CB -0.445 32.062 32.600 -0.155 0.000 1.361 43 M HN 0.369 nan 8.290 nan 0.000 0.408 44 N N -0.566 118.258 118.700 0.207 0.000 2.171 44 N HA -0.150 4.588 4.740 -0.002 0.000 0.184 44 N C 1.846 177.454 175.510 0.163 0.000 1.021 44 N CA 1.039 54.200 53.050 0.186 0.000 0.854 44 N CB -0.179 38.363 38.487 0.091 0.000 0.994 44 N HN 0.388 nan 8.380 nan 0.000 0.426 45 C N 1.264 120.630 119.300 0.110 0.000 2.367 45 C HA -0.138 4.320 4.460 -0.002 0.000 0.276 45 C C 2.428 177.469 174.990 0.085 0.000 1.195 45 C CA 0.901 59.964 59.018 0.076 0.000 1.756 45 C CB -1.242 26.524 27.740 0.042 0.000 2.046 45 C HN 0.404 nan 8.230 nan 0.000 0.453 46 L N -0.312 120.976 121.223 0.108 0.000 2.046 46 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 46 L C 2.895 179.820 176.870 0.092 0.000 1.077 46 L CA 2.043 56.944 54.840 0.101 0.000 0.747 46 L CB -1.259 40.885 42.059 0.141 0.000 0.896 46 L HN 0.577 nan 8.230 nan 0.000 0.432 47 H N 0.811 119.914 119.070 0.055 0.000 2.352 47 H HA -0.205 4.349 4.556 -0.002 0.000 0.299 47 H C 2.073 177.369 175.328 -0.053 0.000 1.097 47 H CA 2.131 58.134 56.048 -0.074 0.000 1.311 47 H CB 0.261 29.974 29.762 -0.082 0.000 1.377 47 H HN 0.412 nan 8.280 nan 0.000 0.504 48 E N -0.307 119.969 120.200 0.127 0.000 2.110 48 E HA -0.165 4.183 4.350 -0.002 0.000 0.193 48 E C 2.464 179.066 176.600 0.002 0.000 0.988 48 E CA 0.732 57.173 56.400 0.068 0.000 0.804 48 E CB 0.098 29.842 29.700 0.073 0.000 0.745 48 E HN 0.151 nan 8.360 nan 0.000 0.458 49 R N 0.884 121.384 120.500 -0.001 0.000 2.070 49 R HA -0.110 4.228 4.340 -0.002 0.000 0.233 49 R C 2.034 178.310 176.300 -0.041 0.000 1.137 49 R CA 1.784 57.875 56.100 -0.014 0.000 0.945 49 R CB -0.828 29.470 30.300 -0.003 0.000 0.845 49 R HN 0.165 nan 8.270 nan 0.000 0.430 50 A N 0.519 123.286 122.820 -0.087 0.000 1.892 50 A HA -0.240 4.079 4.320 -0.002 0.000 0.218 50 A C 2.299 179.810 177.584 -0.122 0.000 1.188 50 A CA 1.911 53.872 52.037 -0.127 0.000 0.631 50 A CB -0.680 18.180 19.000 -0.234 0.000 0.822 50 A HN 0.417 nan 8.150 nan 0.000 0.447 51 R N -0.547 119.862 120.500 -0.152 0.000 2.091 51 R HA -0.116 4.222 4.340 -0.002 0.000 0.238 51 R C 2.024 178.301 176.300 -0.038 0.000 1.136 51 R CA 1.829 57.869 56.100 -0.100 0.000 0.959 51 R CB -0.407 29.852 30.300 -0.068 0.000 0.856 51 R HN 0.624 nan 8.270 nan 0.000 0.437 52 I N 0.719 121.274 120.570 -0.025 0.000 2.226 52 I HA -0.244 3.925 4.170 -0.002 0.000 0.245 52 I C 2.116 178.242 176.117 0.016 0.000 1.100 52 I CA 1.112 62.409 61.300 -0.006 0.000 1.374 52 I CB -0.285 37.706 38.000 -0.015 0.000 1.057 52 I HN 0.196 nan 8.210 nan 0.000 0.413 53 E N 0.920 121.134 120.200 0.024 0.000 2.110 53 E HA -0.244 4.105 4.350 -0.002 0.000 0.193 53 E C 2.057 178.707 176.600 0.083 0.000 0.988 53 E CA 1.023 57.474 56.400 0.085 0.000 0.804 53 E CB -0.228 29.528 29.700 0.094 0.000 0.745 53 E HN 0.454 nan 8.360 nan 0.000 0.458 54 K N 0.647 121.062 120.400 0.025 0.000 2.097 54 K HA -0.049 4.270 4.320 -0.002 0.000 0.205 54 K C 2.077 178.687 176.600 0.016 0.000 1.050 54 K CA 0.979 57.270 56.287 0.008 0.000 0.938 54 K CB 0.002 32.485 32.500 -0.029 0.000 0.718 54 K HN 0.038 nan 8.250 nan 0.000 0.442 55 A N 0.497 123.333 122.820 0.028 0.000 1.902 55 A HA -0.207 4.111 4.320 -0.002 0.000 0.217 55 A C 2.020 179.643 177.584 0.065 0.000 1.181 55 A CA 1.375 53.434 52.037 0.037 0.000 0.623 55 A CB -0.906 18.115 19.000 0.036 0.000 0.818 55 A HN 0.561 nan 8.150 nan 0.000 0.443 56 Y N 0.716 120.969 120.300 -0.077 0.000 2.333 56 Y HA -0.041 4.507 4.550 -0.002 0.000 0.290 56 Y C 2.468 178.304 175.900 -0.107 0.000 1.144 56 Y CA 0.776 58.800 58.100 -0.127 0.000 1.228 56 Y CB -0.471 37.846 38.460 -0.238 0.000 0.985 56 Y HN 0.298 nan 8.280 nan 0.000 0.542 57 A N -0.602 122.139 122.820 -0.130 0.000 1.975 57 A HA -0.089 4.229 4.320 -0.002 0.000 0.215 57 A C 2.103 179.632 177.584 -0.093 0.000 1.170 57 A CA 1.215 53.158 52.037 -0.157 0.000 0.656 57 A CB -0.542 18.434 19.000 -0.040 0.000 0.821 57 A HN 0.499 nan 8.150 nan 0.000 0.449 58 Q N -0.013 119.761 119.800 -0.043 0.000 2.049 58 Q HA -0.144 4.194 4.340 -0.002 0.000 0.198 58 Q C 2.095 178.096 176.000 0.001 0.000 0.971 58 Q CA 2.059 57.854 55.803 -0.013 0.000 0.833 58 Q CB -0.374 28.366 28.738 0.003 0.000 0.896 58 Q HN 0.699 nan 8.270 nan 0.000 0.434 59 Q N -0.423 119.375 119.800 -0.003 0.000 2.170 59 Q HA -0.132 4.206 4.340 -0.002 0.000 0.203 59 Q C 2.079 178.102 176.000 0.037 0.000 0.976 59 Q CA 1.277 57.099 55.803 0.032 0.000 0.858 59 Q CB -0.053 28.710 28.738 0.042 0.000 0.907 59 Q HN 0.422 nan 8.270 nan 0.000 0.433 60 L N -0.068 121.103 121.223 -0.085 0.000 2.027 60 L HA -0.176 4.162 4.340 -0.002 0.000 0.206 60 L C 2.740 179.682 176.870 0.119 0.000 1.074 60 L CA 1.711 56.513 54.840 -0.062 0.000 0.745 60 L CB -0.681 41.210 42.059 -0.280 0.000 0.898 60 L HN 0.395 nan 8.230 nan 0.000 0.433 61 T N -3.831 110.756 114.554 0.055 0.000 2.904 61 T HA -0.160 4.188 4.350 -0.002 0.000 0.267 61 T C 1.602 176.355 174.700 0.089 0.000 1.059 61 T CA 1.045 63.187 62.100 0.069 0.000 1.137 61 T CB -0.146 68.736 68.868 0.023 0.000 0.879 61 T HN 0.283 nan 8.240 nan 0.000 0.467 62 E N -0.014 120.247 120.200 0.101 0.000 2.047 62 E HA -0.036 4.313 4.350 -0.002 0.000 0.191 62 E C 1.665 178.364 176.600 0.164 0.000 0.987 62 E CA 1.139 57.598 56.400 0.098 0.000 0.799 62 E CB -0.291 29.462 29.700 0.088 0.000 0.752 62 E HN 0.724 nan 8.360 nan 0.000 0.449 63 W N 1.252 122.598 121.300 0.077 0.000 2.338 63 W HA -0.230 4.429 4.660 -0.003 0.000 0.304 63 W C 2.134 178.783 176.519 0.217 0.000 1.212 63 W CA 2.169 59.621 57.345 0.179 0.000 1.264 63 W CB -0.309 29.249 29.460 0.164 0.000 1.142 63 W HN 0.060 nan 8.180 nan 0.000 0.512 64 A N 1.237 124.182 122.820 0.207 0.000 1.873 64 A HA -0.190 4.128 4.320 -0.002 0.000 0.215 64 A C 2.097 179.622 177.584 -0.098 0.000 1.186 64 A CA 2.100 54.129 52.037 -0.013 0.000 0.616 64 A CB -1.102 17.985 19.000 0.145 0.000 0.823 64 A HN 0.513 nan 8.150 nan 0.000 0.442 65 R N -0.693 119.781 120.500 -0.044 0.000 2.115 65 R HA -0.055 4.283 4.340 -0.002 0.000 0.230 65 R C 2.252 178.469 176.300 -0.139 0.000 1.111 65 R CA 1.382 57.437 56.100 -0.076 0.000 0.976 65 R CB -0.445 29.828 30.300 -0.046 0.000 0.870 65 R HN 0.441 nan 8.270 nan 0.000 0.445 66 R N 0.019 120.424 120.500 -0.158 0.000 2.073 66 R HA -0.149 4.189 4.340 -0.002 0.000 0.234 66 R C 1.398 177.433 176.300 -0.440 0.000 1.134 66 R CA 2.142 58.073 56.100 -0.282 0.000 0.952 66 R CB -0.310 29.832 30.300 -0.263 0.000 0.850 66 R HN 0.395 nan 8.270 nan 0.000 0.433 67 W N 0.100 121.133 121.300 -0.446 0.000 2.640 67 W HA 0.126 4.785 4.660 -0.001 0.000 0.268 67 W C 2.395 178.621 176.519 -0.487 0.000 1.263 67 W CA 0.225 57.252 57.345 -0.529 0.000 1.344 67 W CB 0.020 29.003 29.460 -0.795 0.000 1.093 67 W HN 0.126 nan 8.180 nan 0.000 0.603 68 R N 0.899 121.280 120.500 -0.198 0.000 2.105 68 R HA -0.234 4.105 4.340 -0.002 0.000 0.239 68 R C 2.078 178.256 176.300 -0.203 0.000 1.135 68 R CA 1.961 57.949 56.100 -0.187 0.000 0.967 68 R CB -0.446 29.779 30.300 -0.125 0.000 0.861 68 R HN 0.244 nan 8.270 nan 0.000 0.442 69 Q N 0.316 119.990 119.800 -0.211 0.000 2.049 69 Q HA -0.106 4.233 4.340 -0.002 0.000 0.198 69 Q C 2.230 178.077 176.000 -0.255 0.000 0.971 69 Q CA 1.240 56.920 55.803 -0.205 0.000 0.833 69 Q CB 0.024 28.647 28.738 -0.192 0.000 0.896 69 Q HN 0.435 nan 8.270 nan 0.000 0.434 70 L N 0.055 121.069 121.223 -0.349 0.000 2.083 70 L HA -0.178 4.161 4.340 -0.002 0.000 0.209 70 L C 2.337 179.004 176.870 -0.339 0.000 1.083 70 L CA 0.696 55.294 54.840 -0.402 0.000 0.752 70 L CB -0.218 41.408 42.059 -0.722 0.000 0.899 70 L HN 0.131 nan 8.230 nan 0.000 0.433 71 V N -0.623 119.061 119.914 -0.383 0.000 2.453 71 V HA -0.219 3.900 4.120 -0.002 0.000 0.247 71 V C 2.248 178.111 176.094 -0.385 0.000 1.048 71 V CA 1.542 63.526 62.300 -0.526 0.000 1.049 71 V CB -0.376 30.960 31.823 -0.812 0.000 0.672 71 V HN 0.427 nan 8.190 nan 0.000 0.457 72 E N -0.126 119.904 120.200 -0.283 0.000 2.106 72 E HA -0.163 4.185 4.350 -0.002 0.000 0.192 72 E C 2.274 178.776 176.600 -0.163 0.000 0.984 72 E CA 0.867 57.150 56.400 -0.196 0.000 0.806 72 E CB -0.049 29.578 29.700 -0.122 0.000 0.750 72 E HN 0.499 nan 8.360 nan 0.000 0.458 73 K N 0.471 120.773 120.400 -0.163 0.000 2.167 73 K HA 0.007 4.326 4.320 -0.002 0.000 0.203 73 K C 1.207 177.729 176.600 -0.131 0.000 1.052 73 K CA 0.439 56.661 56.287 -0.109 0.000 0.956 73 K CB 0.006 32.439 32.500 -0.111 0.000 0.735 73 K HN 0.036 nan 8.250 nan 0.000 0.451 74 G N 1.586 110.261 108.800 -0.208 0.000 2.712 74 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.258 74 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.258 74 G C -1.920 172.815 174.900 -0.276 0.000 1.241 74 G CA -0.833 44.150 45.100 -0.196 0.000 0.923 74 G HN -0.018 nan 8.290 nan 0.000 0.548 75 P HA 0.034 nan 4.420 nan 0.000 0.233 75 P C 0.592 177.725 177.300 -0.277 0.000 1.167 75 P CA 0.353 63.378 63.100 -0.125 0.000 0.770 75 P CB 0.323 32.028 31.700 0.008 0.000 0.837 76 Q N 0.328 119.929 119.800 -0.331 0.000 2.281 76 Q HA 0.148 4.486 4.340 -0.002 0.000 0.267 76 Q C -0.665 175.053 176.000 -0.470 0.000 1.053 76 Q CA 0.560 56.225 55.803 -0.231 0.000 0.905 76 Q CB -0.142 28.582 28.738 -0.023 0.000 1.195 76 Q HN 0.290 nan 8.270 nan 0.000 0.398 77 Y N -0.015 120.286 120.300 0.001 0.000 2.662 77 Y HA 0.581 5.130 4.550 -0.002 0.000 0.335 77 Y C 1.161 176.964 175.900 -0.162 0.000 1.066 77 Y CA 0.017 58.058 58.100 -0.098 0.000 1.116 77 Y CB 1.595 39.965 38.460 -0.150 0.000 1.308 77 Y HN 0.800 nan 8.280 nan 0.000 0.502 78 G N 0.263 109.011 108.800 -0.087 0.000 2.509 78 G HA2 -0.330 3.629 3.960 -0.002 0.000 0.256 78 G HA3 -0.330 3.629 3.960 -0.002 0.000 0.256 78 G C 0.759 175.614 174.900 -0.075 0.000 1.152 78 G CA 0.382 45.360 45.100 -0.204 0.000 0.951 78 G HN 0.733 nan 8.290 nan 0.000 0.559 79 T N -0.242 114.291 114.554 -0.036 0.000 3.051 79 T HA 0.307 4.656 4.350 -0.002 0.000 0.255 79 T C 2.449 177.167 174.700 0.030 0.000 1.085 79 T CA 1.907 64.008 62.100 0.001 0.000 1.109 79 T CB -0.111 68.764 68.868 0.012 0.000 0.921 79 T HN 0.559 nan 8.240 nan 0.000 0.488 80 V N 1.229 121.166 119.914 0.038 0.000 2.649 80 V HA 0.013 4.131 4.120 -0.002 0.000 0.248 80 V C 2.382 178.545 176.094 0.117 0.000 1.054 80 V CA 1.428 63.763 62.300 0.058 0.000 1.073 80 V CB -0.293 31.556 31.823 0.043 0.000 0.699 80 V HN 0.543 nan 8.190 nan 0.000 0.463 81 E N 0.487 120.745 120.200 0.097 0.000 2.118 81 E HA -0.274 4.075 4.350 -0.002 0.000 0.195 81 E C 2.177 178.844 176.600 0.112 0.000 0.992 81 E CA 1.397 57.858 56.400 0.102 0.000 0.804 81 E CB 0.049 29.747 29.700 -0.004 0.000 0.741 81 E HN 0.566 nan 8.360 nan 0.000 0.458 82 K N 0.015 120.463 120.400 0.080 0.000 2.001 82 K HA -0.069 4.250 4.320 -0.002 0.000 0.208 82 K C 2.187 178.860 176.600 0.122 0.000 1.048 82 K CA 1.032 57.365 56.287 0.076 0.000 0.932 82 K CB -0.189 32.339 32.500 0.046 0.000 0.715 82 K HN 0.117 nan 8.250 nan 0.000 0.437 83 A N 1.010 123.903 122.820 0.122 0.000 1.958 83 A HA -0.226 4.093 4.320 -0.002 0.000 0.221 83 A C 1.870 179.592 177.584 0.231 0.000 1.178 83 A CA 1.514 53.633 52.037 0.137 0.000 0.642 83 A CB -0.844 18.208 19.000 0.086 0.000 0.816 83 A HN 0.575 nan 8.150 nan 0.000 0.453 84 W N 0.202 121.515 121.300 0.021 0.000 2.388 84 W HA -0.110 4.550 4.660 -0.000 0.000 0.294 84 W C 2.012 178.572 176.519 0.068 0.000 1.212 84 W CA 1.702 59.047 57.345 0.000 0.000 1.271 84 W CB -0.420 28.999 29.460 -0.068 0.000 1.126 84 W HN 0.291 nan 8.180 nan 0.000 0.535 85 M N 0.504 120.271 119.600 0.279 0.000 2.132 85 M HA -0.076 4.402 4.480 -0.002 0.000 0.263 85 M C 2.305 178.713 176.300 0.181 0.000 1.065 85 M CA 1.720 57.106 55.300 0.143 0.000 1.122 85 M CB -2.113 30.518 32.600 0.052 0.000 1.365 85 M HN 0.019 nan 8.290 nan 0.000 0.411 86 A N -0.022 122.905 122.820 0.177 0.000 2.054 86 A HA -0.232 4.087 4.320 -0.002 0.000 0.223 86 A C 2.138 179.823 177.584 0.169 0.000 1.169 86 A CA 1.652 53.770 52.037 0.135 0.000 0.655 86 A CB -1.141 17.932 19.000 0.121 0.000 0.812 86 A HN 0.405 nan 8.150 nan 0.000 0.462 87 F N -0.942 119.092 119.950 0.140 0.000 2.060 87 F HA -0.107 4.419 4.527 -0.002 0.000 0.295 87 F C 2.328 178.271 175.800 0.239 0.000 1.120 87 F CA 2.212 60.331 58.000 0.198 0.000 1.205 87 F CB -0.257 38.922 39.000 0.300 0.000 0.986 87 F HN 0.140 nan 8.300 nan 0.000 0.470 88 M N -0.295 119.544 119.600 0.397 0.000 2.202 88 M HA -0.230 4.248 4.480 -0.002 0.000 0.262 88 M C 2.213 178.606 176.300 0.156 0.000 1.063 88 M CA 1.504 56.942 55.300 0.229 0.000 1.097 88 M CB -0.761 31.850 32.600 0.019 0.000 1.382 88 M HN -0.041 nan 8.290 nan 0.000 0.413 89 S N 0.160 115.917 115.700 0.096 0.000 2.382 89 S HA -0.187 4.282 4.470 -0.002 0.000 0.228 89 S C 1.788 176.378 174.600 -0.016 0.000 1.027 89 S CA 1.644 59.862 58.200 0.030 0.000 0.991 89 S CB -0.399 62.809 63.200 0.014 0.000 0.823 89 S HN 0.687 nan 8.310 nan 0.000 0.469 90 E N 2.204 122.366 120.200 -0.064 0.000 2.152 90 E HA 0.091 4.439 4.350 -0.002 0.000 0.192 90 E C 1.819 178.366 176.600 -0.089 0.000 0.983 90 E CA 1.104 57.392 56.400 -0.186 0.000 0.818 90 E CB -0.622 28.840 29.700 -0.397 0.000 0.758 90 E HN 0.354 nan 8.360 nan 0.000 0.467 91 A N 0.652 123.493 122.820 0.035 0.000 2.019 91 A HA -0.190 4.128 4.320 -0.002 0.000 0.219 91 A C 1.982 179.593 177.584 0.046 0.000 1.164 91 A CA 1.654 53.746 52.037 0.093 0.000 0.644 91 A CB -0.459 18.775 19.000 0.390 0.000 0.805 91 A HN 0.359 nan 8.150 nan 0.000 0.449 92 E N -1.131 119.094 120.200 0.042 0.000 2.140 92 E HA -0.044 4.304 4.350 -0.002 0.000 0.191 92 E C 2.251 178.848 176.600 -0.005 0.000 0.973 92 E CA 0.247 56.657 56.400 0.017 0.000 0.829 92 E CB 0.053 29.765 29.700 0.020 0.000 0.781 92 E HN 0.271 nan 8.360 nan 0.000 0.466 93 R N 0.302 120.790 120.500 -0.020 0.000 2.075 93 R HA -0.039 4.300 4.340 -0.002 0.000 0.232 93 R C 2.286 178.589 176.300 0.004 0.000 1.126 93 R CA 0.701 56.788 56.100 -0.022 0.000 0.963 93 R CB -1.018 29.249 30.300 -0.054 0.000 0.858 93 R HN 0.117 nan 8.270 nan 0.000 0.435 94 V N 0.862 120.790 119.914 0.024 0.000 2.515 94 V HA -0.188 3.931 4.120 -0.002 0.000 0.250 94 V C 2.515 178.671 176.094 0.103 0.000 1.058 94 V CA 1.969 64.328 62.300 0.098 0.000 1.064 94 V CB -0.530 31.381 31.823 0.146 0.000 0.675 94 V HN 0.354 nan 8.190 nan 0.000 0.461 95 S N -0.283 115.418 115.700 0.002 0.000 2.368 95 S HA -0.224 4.244 4.470 -0.002 0.000 0.224 95 S C 1.948 176.555 174.600 0.012 0.000 1.029 95 S CA 1.847 60.028 58.200 -0.031 0.000 0.988 95 S CB -0.180 62.987 63.200 -0.054 0.000 0.838 95 S HN 0.708 nan 8.310 nan 0.000 0.462 96 E N 0.483 120.683 120.200 -0.000 0.000 2.153 96 E HA -0.050 4.299 4.350 -0.002 0.000 0.194 96 E C 2.032 178.618 176.600 -0.024 0.000 0.988 96 E CA 0.973 57.366 56.400 -0.010 0.000 0.811 96 E CB -0.161 29.529 29.700 -0.015 0.000 0.746 96 E HN 0.459 nan 8.360 nan 0.000 0.466 97 L N 0.293 121.489 121.223 -0.044 0.000 2.005 97 L HA -0.189 4.149 4.340 -0.002 0.000 0.207 97 L C 2.342 179.112 176.870 -0.166 0.000 1.072 97 L CA 1.168 55.923 54.840 -0.142 0.000 0.744 97 L CB -0.286 41.612 42.059 -0.268 0.000 0.895 97 L HN 0.313 nan 8.230 nan 0.000 0.433 98 H N -0.850 118.188 119.070 -0.054 0.000 2.491 98 H HA -0.099 4.456 4.556 -0.002 0.000 0.290 98 H C 2.133 177.445 175.328 -0.027 0.000 1.050 98 H CA 0.769 56.809 56.048 -0.014 0.000 1.309 98 H CB 0.292 30.098 29.762 0.073 0.000 1.392 98 H HN 0.258 nan 8.280 nan 0.000 0.554 99 L N 1.212 122.472 121.223 0.061 0.000 2.156 99 L HA -0.123 4.215 4.340 -0.002 0.000 0.208 99 L C 2.106 178.962 176.870 -0.023 0.000 1.095 99 L CA 1.489 56.336 54.840 0.011 0.000 0.770 99 L CB -0.190 41.867 42.059 -0.003 0.000 0.914 99 L HN 0.198 nan 8.230 nan 0.000 0.439 100 E N -0.803 119.374 120.200 -0.039 0.000 2.250 100 E HA -0.091 4.257 4.350 -0.002 0.000 0.192 100 E C 2.092 178.646 176.600 -0.077 0.000 0.986 100 E CA 0.586 56.950 56.400 -0.060 0.000 0.849 100 E CB 0.045 29.709 29.700 -0.060 0.000 0.797 100 E HN 0.230 nan 8.360 nan 0.000 0.482 101 V N 1.580 121.452 119.914 -0.071 0.000 2.332 101 V HA -0.275 3.843 4.120 -0.002 0.000 0.248 101 V C 2.519 178.575 176.094 -0.062 0.000 1.055 101 V CA 2.207 64.471 62.300 -0.061 0.000 1.038 101 V CB -0.574 31.220 31.823 -0.049 0.000 0.651 101 V HN 0.308 nan 8.190 nan 0.000 0.450 102 K N 0.377 120.747 120.400 -0.050 0.000 2.025 102 K HA -0.137 4.181 4.320 -0.002 0.000 0.207 102 K C 2.261 178.798 176.600 -0.106 0.000 1.049 102 K CA 1.568 57.810 56.287 -0.074 0.000 0.933 102 K CB -0.360 32.103 32.500 -0.062 0.000 0.714 102 K HN 0.387 nan 8.250 nan 0.000 0.438 103 A N 1.028 123.792 122.820 -0.095 0.000 1.917 103 A HA -0.172 4.147 4.320 -0.002 0.000 0.219 103 A C 2.239 179.741 177.584 -0.136 0.000 1.182 103 A CA 2.316 54.294 52.037 -0.099 0.000 0.633 103 A CB -0.664 18.289 19.000 -0.078 0.000 0.819 103 A HN 0.430 nan 8.150 nan 0.000 0.448 104 S N -0.219 115.363 115.700 -0.195 0.000 2.355 104 S HA -0.052 4.416 4.470 -0.002 0.000 0.222 104 S C 1.816 176.206 174.600 -0.350 0.000 1.031 104 S CA 1.371 59.343 58.200 -0.381 0.000 0.993 104 S CB -0.458 62.381 63.200 -0.602 0.000 0.859 104 S HN 0.510 nan 8.310 nan 0.000 0.453 105 L N 0.610 121.711 121.223 -0.203 0.000 2.083 105 L HA -0.112 4.227 4.340 -0.002 0.000 0.209 105 L C 2.482 179.344 176.870 -0.014 0.000 1.083 105 L CA 0.885 55.678 54.840 -0.078 0.000 0.752 105 L CB -0.418 41.613 42.059 -0.046 0.000 0.899 105 L HN 0.338 nan 8.230 nan 0.000 0.433 106 M N -1.097 118.463 119.600 -0.067 0.000 2.299 106 M HA -0.025 4.453 4.480 -0.002 0.000 0.264 106 M C 1.994 178.326 176.300 0.053 0.000 1.095 106 M CA 1.198 56.471 55.300 -0.045 0.000 1.165 106 M CB -1.187 31.299 32.600 -0.190 0.000 1.349 106 M HN 0.180 nan 8.290 nan 0.000 0.446 107 N N 1.134 119.827 118.700 -0.012 0.000 2.188 107 N HA -0.123 4.616 4.740 -0.002 0.000 0.184 107 N C 1.128 176.657 175.510 0.031 0.000 1.018 107 N CA 1.291 54.347 53.050 0.011 0.000 0.858 107 N CB -0.129 38.341 38.487 -0.028 0.000 0.989 107 N HN 0.349 nan 8.380 nan 0.000 0.426 108 D N 0.166 120.559 120.400 -0.010 0.000 2.845 108 D HA 0.007 4.646 4.640 -0.002 0.000 0.272 108 D C 1.269 177.608 176.300 0.065 0.000 1.275 108 D CA 0.498 54.506 54.000 0.013 0.000 1.029 108 D CB -0.558 40.212 40.800 -0.049 0.000 1.131 108 D HN -0.001 nan 8.370 nan 0.000 0.423 109 D N 0.753 121.189 120.400 0.060 0.000 2.095 109 D HA -0.154 4.484 4.640 -0.002 0.000 0.192 109 D C 1.959 178.319 176.300 0.101 0.000 0.990 109 D CA 0.670 54.714 54.000 0.072 0.000 0.836 109 D CB -0.850 39.998 40.800 0.079 0.000 0.979 109 D HN 0.097 nan 8.370 nan 0.000 0.447 110 F N 2.065 122.017 119.950 0.003 0.000 2.063 110 F HA -0.267 4.259 4.527 -0.002 0.000 0.298 110 F C 2.244 178.083 175.800 0.065 0.000 1.109 110 F CA 1.716 59.735 58.000 0.033 0.000 1.212 110 F CB 0.054 39.081 39.000 0.044 0.000 0.973 110 F HN -0.154 nan 8.300 nan 0.000 0.480 111 E N 0.527 120.862 120.200 0.224 0.000 2.085 111 E HA -0.277 4.072 4.350 -0.002 0.000 0.194 111 E C 2.177 178.816 176.600 0.065 0.000 0.994 111 E CA 1.429 57.904 56.400 0.125 0.000 0.801 111 E CB -0.588 29.214 29.700 0.170 0.000 0.743 111 E HN 0.500 nan 8.360 nan 0.000 0.453 112 K N 0.660 121.122 120.400 0.104 0.000 2.103 112 K HA -0.129 4.190 4.320 -0.002 0.000 0.207 112 K C 2.158 178.936 176.600 0.296 0.000 1.048 112 K CA 1.042 57.437 56.287 0.179 0.000 0.930 112 K CB -0.073 32.514 32.500 0.145 0.000 0.716 112 K HN 0.063 nan 8.250 nan 0.000 0.444 113 I N 0.616 121.298 120.570 0.187 0.000 2.277 113 I HA -0.204 3.965 4.170 -0.002 0.000 0.243 113 I C 2.481 178.623 176.117 0.042 0.000 1.094 113 I CA 0.826 62.252 61.300 0.210 0.000 1.393 113 I CB -0.275 37.735 38.000 0.016 0.000 1.078 113 I HN 0.171 nan 8.210 nan 0.000 0.417 114 K N 1.301 121.611 120.400 -0.150 0.000 2.074 114 K HA -0.244 4.075 4.320 -0.002 0.000 0.209 114 K C 1.787 178.383 176.600 -0.006 0.000 1.048 114 K CA 1.994 58.192 56.287 -0.148 0.000 0.926 114 K CB -0.058 32.311 32.500 -0.219 0.000 0.713 114 K HN 0.254 nan 8.250 nan 0.000 0.444 115 N N -0.200 118.528 118.700 0.047 0.000 2.250 115 N HA -0.124 4.615 4.740 -0.002 0.000 0.181 115 N C 1.206 176.749 175.510 0.056 0.000 1.017 115 N CA 1.036 54.123 53.050 0.062 0.000 0.866 115 N CB -0.424 38.115 38.487 0.086 0.000 0.985 115 N HN 0.365 nan 8.380 nan 0.000 0.429 116 W N 2.260 123.483 121.300 -0.129 0.000 2.358 116 W HA -0.102 4.557 4.660 -0.002 0.000 0.303 116 W C 2.455 178.848 176.519 -0.210 0.000 1.208 116 W CA 1.346 58.517 57.345 -0.289 0.000 1.274 116 W CB -0.223 28.753 29.460 -0.806 0.000 1.138 116 W HN 0.132 nan 8.180 nan 0.000 0.515 117 Q N 0.525 120.410 119.800 0.143 0.000 2.061 117 Q HA -0.273 4.066 4.340 -0.002 0.000 0.204 117 Q C 2.064 178.070 176.000 0.010 0.000 0.984 117 Q CA 2.168 58.062 55.803 0.151 0.000 0.846 117 Q CB -0.261 28.526 28.738 0.082 0.000 0.902 117 Q HN 0.270 nan 8.270 nan 0.000 0.421 118 K N -0.212 120.174 120.400 -0.024 0.000 2.209 118 K HA -0.118 4.201 4.320 -0.002 0.000 0.204 118 K C 1.773 178.277 176.600 -0.159 0.000 1.048 118 K CA 1.057 57.325 56.287 -0.031 0.000 0.940 118 K CB 0.155 32.666 32.500 0.018 0.000 0.729 118 K HN 0.236 nan 8.250 nan 0.000 0.451 119 E N -0.214 119.823 120.200 -0.271 0.000 2.340 119 E HA 0.009 4.358 4.350 -0.002 0.000 0.194 119 E C 1.659 177.916 176.600 -0.572 0.000 0.996 119 E CA 0.514 56.725 56.400 -0.314 0.000 0.869 119 E CB 0.449 29.971 29.700 -0.296 0.000 0.835 119 E HN 0.272 nan 8.360 nan 0.000 0.493 120 A N 0.281 122.594 122.820 -0.846 0.000 2.014 120 A HA 0.194 4.512 4.320 -0.002 0.000 0.210 120 A C 0.536 177.445 177.584 -1.124 0.000 1.188 120 A CA 0.225 51.624 52.037 -1.064 0.000 0.731 120 A CB 0.188 18.145 19.000 -1.739 0.000 0.858 120 A HN 0.041 nan 8.150 nan 0.000 0.464 121 F N 0.518 120.097 119.950 -0.618 0.000 2.482 121 F HA 0.485 5.011 4.527 -0.002 0.000 0.331 121 F C -0.189 175.281 175.800 -0.549 0.000 1.115 121 F CA -0.676 56.990 58.000 -0.558 0.000 0.955 121 F CB 1.385 40.038 39.000 -0.578 0.000 1.136 121 F HN 0.121 nan 8.300 nan 0.000 0.452 122 H N 2.440 121.638 119.070 0.213 0.000 2.792 122 H HA 0.226 4.781 4.556 -0.002 0.000 0.298 122 H C -0.568 174.944 175.328 0.307 0.000 1.042 122 H CA -0.927 55.239 56.048 0.197 0.000 1.300 122 H CB 1.066 30.863 29.762 0.059 0.000 1.431 122 H HN 0.537 nan 8.280 nan 0.000 0.496 123 K N 2.844 123.471 120.400 0.379 0.000 2.491 123 K HA -0.024 4.295 4.320 -0.002 0.000 0.279 123 K C 0.634 177.263 176.600 0.048 0.000 1.026 123 K CA 0.395 56.745 56.287 0.104 0.000 1.070 123 K CB 1.063 33.576 32.500 0.021 0.000 0.887 123 K HN 0.540 nan 8.250 nan 0.000 0.481 124 Q N 1.435 121.212 119.800 -0.039 0.000 2.222 124 Q HA 0.147 4.485 4.340 -0.002 0.000 0.211 124 Q C 1.049 177.020 176.000 -0.049 0.000 1.013 124 Q CA -0.629 55.160 55.803 -0.024 0.000 0.993 124 Q CB 0.718 29.442 28.738 -0.024 0.000 1.151 124 Q HN 0.484 nan 8.270 nan 0.000 0.544 125 M N 0.097 119.677 119.600 -0.034 0.000 2.287 125 M HA -0.042 4.437 4.480 -0.002 0.000 0.266 125 M C 1.766 178.041 176.300 -0.041 0.000 1.079 125 M CA 1.482 56.763 55.300 -0.032 0.000 1.146 125 M CB -0.397 32.191 32.600 -0.021 0.000 1.374 125 M HN 0.680 nan 8.290 nan 0.000 0.435 126 M N -0.244 119.330 119.600 -0.043 0.000 2.062 126 M HA 0.103 4.582 4.480 -0.002 0.000 0.259 126 M C 0.756 177.025 176.300 -0.053 0.000 1.076 126 M CA 1.414 56.691 55.300 -0.040 0.000 1.122 126 M CB -0.218 32.364 32.600 -0.031 0.000 1.312 126 M HN 0.290 nan 8.290 nan 0.000 0.412 127 G N -2.369 106.385 108.800 -0.076 0.000 2.368 127 G HA2 0.431 4.389 3.960 -0.002 0.000 0.303 127 G HA3 0.431 4.389 3.960 -0.002 0.000 0.303 127 G C -0.463 174.338 174.900 -0.166 0.000 1.590 127 G CA -0.663 44.383 45.100 -0.090 0.000 0.938 127 G HN 0.598 nan 8.290 nan 0.000 0.675 128 G N -0.761 107.937 108.800 -0.172 0.000 3.434 128 G HA2 0.648 4.607 3.960 -0.002 0.000 0.192 128 G HA3 0.648 4.607 3.960 -0.002 0.000 0.192 128 G C -0.609 174.028 174.900 -0.439 0.000 1.704 128 G CA -0.767 44.139 45.100 -0.322 0.000 0.936 128 G HN 0.595 nan 8.290 nan 0.000 0.623 129 F N 0.605 120.560 119.950 0.008 0.000 2.444 129 F HA 0.381 4.907 4.527 -0.002 0.000 0.342 129 F C 1.461 177.280 175.800 0.032 0.000 1.121 129 F CA -0.800 57.220 58.000 0.033 0.000 0.997 129 F CB 2.526 41.579 39.000 0.089 0.000 1.130 129 F HN 0.436 nan 8.300 nan 0.000 0.454 130 K N 2.199 122.731 120.400 0.220 0.000 2.228 130 K HA -0.219 4.100 4.320 -0.002 0.000 0.205 130 K C 1.293 177.923 176.600 0.049 0.000 1.045 130 K CA 2.095 58.443 56.287 0.101 0.000 0.931 130 K CB 0.148 32.695 32.500 0.078 0.000 0.727 130 K HN 0.713 nan 8.250 nan 0.000 0.458 131 E N 0.217 120.454 120.200 0.062 0.000 2.060 131 E HA -0.125 4.224 4.350 -0.002 0.000 0.189 131 E C 2.166 178.752 176.600 -0.023 0.000 0.974 131 E CA 1.666 58.002 56.400 -0.108 0.000 0.808 131 E CB -0.930 28.554 29.700 -0.359 0.000 0.768 131 E HN 0.522 nan 8.360 nan 0.000 0.453 132 T N 0.228 114.863 114.554 0.135 0.000 2.788 132 T HA -0.156 4.192 4.350 -0.002 0.000 0.268 132 T C 2.023 176.789 174.700 0.110 0.000 1.044 132 T CA 1.662 63.862 62.100 0.166 0.000 1.139 132 T CB -0.135 68.887 68.868 0.257 0.000 0.867 132 T HN 0.053 nan 8.240 nan 0.000 0.454 133 K N 1.230 121.682 120.400 0.088 0.000 2.097 133 K HA -0.061 4.257 4.320 -0.002 0.000 0.206 133 K C 2.331 178.938 176.600 0.012 0.000 1.049 133 K CA 1.628 57.945 56.287 0.051 0.000 0.933 133 K CB -0.314 32.207 32.500 0.036 0.000 0.717 133 K HN 0.581 nan 8.250 nan 0.000 0.442 134 E N -0.854 119.332 120.200 -0.023 0.000 2.152 134 E HA -0.085 4.263 4.350 -0.002 0.000 0.192 134 E C 1.792 178.328 176.600 -0.107 0.000 0.983 134 E CA 0.808 57.165 56.400 -0.073 0.000 0.818 134 E CB -0.033 29.602 29.700 -0.107 0.000 0.758 134 E HN 0.453 nan 8.360 nan 0.000 0.467 135 A N 0.986 123.755 122.820 -0.085 0.000 1.897 135 A HA -0.209 4.110 4.320 -0.002 0.000 0.215 135 A C 2.003 179.543 177.584 -0.073 0.000 1.181 135 A CA 1.520 53.481 52.037 -0.126 0.000 0.620 135 A CB -0.336 18.668 19.000 0.006 0.000 0.821 135 A HN 0.163 nan 8.150 nan 0.000 0.443 136 E N 0.599 120.825 120.200 0.043 0.000 2.038 136 E HA -0.228 4.121 4.350 -0.002 0.000 0.195 136 E C 1.360 177.932 176.600 -0.047 0.000 1.000 136 E CA 1.884 58.320 56.400 0.060 0.000 0.803 136 E CB -0.201 29.574 29.700 0.125 0.000 0.750 136 E HN 0.531 nan 8.360 nan 0.000 0.448 137 D N -0.657 119.721 120.400 -0.037 0.000 2.144 137 D HA -0.103 4.536 4.640 -0.002 0.000 0.199 137 D C 1.842 178.090 176.300 -0.087 0.000 0.984 137 D CA 1.350 55.325 54.000 -0.042 0.000 0.834 137 D CB -0.747 40.033 40.800 -0.033 0.000 0.955 137 D HN 0.393 nan 8.370 nan 0.000 0.465 138 G N -0.260 108.441 108.800 -0.164 0.000 2.402 138 G HA2 -0.224 3.735 3.960 -0.002 0.000 0.216 138 G HA3 -0.224 3.735 3.960 -0.002 0.000 0.216 138 G C 1.367 176.120 174.900 -0.246 0.000 1.162 138 G CA 0.173 45.135 45.100 -0.229 0.000 0.777 138 G HN 0.141 nan 8.290 nan 0.000 0.539 139 F N 0.551 120.330 119.950 -0.285 0.000 2.128 139 F HA 0.172 4.697 4.527 -0.002 0.000 0.295 139 F C 2.788 178.397 175.800 -0.318 0.000 1.100 139 F CA 0.925 58.660 58.000 -0.441 0.000 1.260 139 F CB -0.555 37.776 39.000 -1.115 0.000 1.009 139 F HN -0.030 nan 8.300 nan 0.000 0.476 140 R N 0.372 120.813 120.500 -0.099 0.000 2.103 140 R HA -0.196 4.143 4.340 -0.002 0.000 0.242 140 R C 2.333 178.693 176.300 0.100 0.000 1.142 140 R CA 1.611 57.749 56.100 0.064 0.000 0.960 140 R CB -0.179 30.163 30.300 0.071 0.000 0.858 140 R HN 0.142 nan 8.270 nan 0.000 0.439 141 K N -0.547 119.884 120.400 0.051 0.000 2.057 141 K HA -0.090 4.229 4.320 -0.002 0.000 0.206 141 K C 2.022 178.686 176.600 0.107 0.000 1.050 141 K CA 1.260 57.586 56.287 0.064 0.000 0.935 141 K CB -0.124 32.389 32.500 0.022 0.000 0.715 141 K HN 0.194 nan 8.250 nan 0.000 0.439 142 A N 1.222 124.101 122.820 0.098 0.000 1.940 142 A HA -0.213 4.105 4.320 -0.002 0.000 0.219 142 A C 2.002 179.761 177.584 0.290 0.000 1.176 142 A CA 1.429 53.546 52.037 0.133 0.000 0.631 142 A CB -0.362 18.678 19.000 0.067 0.000 0.814 142 A HN 0.360 nan 8.150 nan 0.000 0.446 143 Q N -1.042 118.960 119.800 0.337 0.000 2.212 143 Q HA -0.082 4.257 4.340 -0.002 0.000 0.199 143 Q C 2.091 178.331 176.000 0.400 0.000 0.950 143 Q CA 0.931 57.046 55.803 0.519 0.000 0.863 143 Q CB -0.089 28.932 28.738 0.472 0.000 0.944 143 Q HN 0.702 nan 8.270 nan 0.000 0.465 144 K N 0.710 121.271 120.400 0.267 0.000 2.071 144 K HA -0.216 4.102 4.320 -0.002 0.000 0.217 144 K C -0.924 175.782 176.600 0.177 0.000 1.054 144 K CA 1.968 58.369 56.287 0.190 0.000 0.937 144 K CB -0.646 31.935 32.500 0.135 0.000 0.719 144 K HN 0.117 nan 8.250 nan 0.000 0.454 145 P HA -0.140 nan 4.420 nan 0.000 0.217 145 P C 0.685 178.083 177.300 0.164 0.000 1.150 145 P CA 1.009 64.206 63.100 0.161 0.000 0.832 145 P CB -0.151 31.658 31.700 0.181 0.000 0.787 146 W N 0.539 121.855 121.300 0.027 0.000 2.436 146 W HA 0.078 4.736 4.660 -0.002 0.000 0.284 146 W C 2.292 178.742 176.519 -0.115 0.000 1.225 146 W CA 1.627 58.899 57.345 -0.121 0.000 1.271 146 W CB -0.562 28.636 29.460 -0.437 0.000 1.114 146 W HN -0.145 nan 8.180 nan 0.000 0.559 147 A N -0.039 122.852 122.820 0.119 0.000 1.968 147 A HA -0.128 4.191 4.320 -0.002 0.000 0.217 147 A C 1.953 179.475 177.584 -0.104 0.000 1.169 147 A CA 1.584 53.621 52.037 0.001 0.000 0.638 147 A CB -0.638 18.443 19.000 0.135 0.000 0.812 147 A HN 0.293 nan 8.150 nan 0.000 0.446 148 K N -0.546 119.821 120.400 -0.055 0.000 2.057 148 K HA -0.126 4.193 4.320 -0.002 0.000 0.206 148 K C 1.809 178.332 176.600 -0.127 0.000 1.050 148 K CA 1.182 57.430 56.287 -0.064 0.000 0.935 148 K CB -0.013 32.477 32.500 -0.018 0.000 0.715 148 K HN 0.096 nan 8.250 nan 0.000 0.439 149 K N 1.105 121.393 120.400 -0.186 0.000 2.097 149 K HA -0.091 4.227 4.320 -0.002 0.000 0.205 149 K C 1.980 178.388 176.600 -0.320 0.000 1.050 149 K CA 0.791 56.937 56.287 -0.235 0.000 0.938 149 K CB -0.506 31.835 32.500 -0.265 0.000 0.718 149 K HN 0.201 nan 8.250 nan 0.000 0.442 150 L N 0.927 121.858 121.223 -0.486 0.000 2.012 150 L HA -0.228 4.110 4.340 -0.002 0.000 0.210 150 L C 2.143 178.856 176.870 -0.262 0.000 1.073 150 L CA 1.517 56.072 54.840 -0.475 0.000 0.748 150 L CB -0.143 41.533 42.059 -0.638 0.000 0.891 150 L HN 0.102 nan 8.230 nan 0.000 0.431 151 K N 0.096 120.377 120.400 -0.198 0.000 2.074 151 K HA -0.254 4.065 4.320 -0.002 0.000 0.209 151 K C 1.928 178.464 176.600 -0.107 0.000 1.048 151 K CA 1.742 57.956 56.287 -0.122 0.000 0.926 151 K CB -0.196 32.253 32.500 -0.084 0.000 0.713 151 K HN 0.423 nan 8.250 nan 0.000 0.444 152 E N -0.075 120.055 120.200 -0.116 0.000 2.072 152 E HA -0.083 4.266 4.350 -0.002 0.000 0.190 152 E C 2.028 178.571 176.600 -0.095 0.000 0.982 152 E CA 0.637 56.982 56.400 -0.091 0.000 0.803 152 E CB 0.016 29.666 29.700 -0.084 0.000 0.755 152 E HN -0.063 nan 8.360 nan 0.000 0.453 153 V N 0.866 120.700 119.914 -0.133 0.000 2.343 153 V HA -0.235 3.884 4.120 -0.002 0.000 0.247 153 V C 2.155 178.185 176.094 -0.107 0.000 1.051 153 V CA 1.876 64.102 62.300 -0.123 0.000 1.036 153 V CB -0.293 31.427 31.823 -0.172 0.000 0.654 153 V HN 0.206 nan 8.190 nan 0.000 0.451 154 E N 0.224 120.351 120.200 -0.123 0.000 2.150 154 E HA -0.103 4.246 4.350 -0.002 0.000 0.193 154 E C 2.122 178.668 176.600 -0.089 0.000 0.985 154 E CA 1.257 57.589 56.400 -0.113 0.000 0.814 154 E CB -0.370 29.262 29.700 -0.113 0.000 0.752 154 E HN 0.552 nan 8.360 nan 0.000 0.466 155 A N 0.439 123.216 122.820 -0.071 0.000 1.930 155 A HA 0.015 4.334 4.320 -0.002 0.000 0.217 155 A C 2.354 179.922 177.584 -0.026 0.000 1.175 155 A CA 1.626 53.636 52.037 -0.046 0.000 0.627 155 A CB -0.754 18.223 19.000 -0.039 0.000 0.815 155 A HN 0.332 nan 8.150 nan 0.000 0.443 156 A N -0.042 122.763 122.820 -0.026 0.000 1.858 156 A HA -0.175 4.144 4.320 -0.002 0.000 0.216 156 A C 2.147 179.762 177.584 0.052 0.000 1.190 156 A CA 1.865 53.909 52.037 0.012 0.000 0.617 156 A CB -0.461 18.539 19.000 -0.000 0.000 0.827 156 A HN 0.483 nan 8.150 nan 0.000 0.443 157 K N -0.375 120.023 120.400 -0.003 0.000 2.097 157 K HA -0.148 4.171 4.320 -0.002 0.000 0.205 157 K C 2.213 178.740 176.600 -0.120 0.000 1.050 157 K CA 1.612 57.877 56.287 -0.037 0.000 0.938 157 K CB -0.104 32.290 32.500 -0.177 0.000 0.718 157 K HN 0.673 nan 8.250 nan 0.000 0.442 158 K N 0.306 120.633 120.400 -0.122 0.000 2.167 158 K HA 0.037 4.355 4.320 -0.002 0.000 0.203 158 K C 2.039 178.638 176.600 -0.003 0.000 1.052 158 K CA 1.047 57.268 56.287 -0.109 0.000 0.956 158 K CB -0.005 32.435 32.500 -0.100 0.000 0.735 158 K HN -0.010 nan 8.250 nan 0.000 0.451 159 A N 1.913 124.749 122.820 0.027 0.000 1.873 159 A HA -0.209 4.110 4.320 -0.002 0.000 0.215 159 A C 2.220 179.874 177.584 0.117 0.000 1.186 159 A CA 1.608 53.678 52.037 0.056 0.000 0.616 159 A CB -1.132 17.896 19.000 0.048 0.000 0.823 159 A HN 0.703 nan 8.150 nan 0.000 0.442 160 H N -1.997 117.114 119.070 0.069 0.000 2.389 160 H HA -0.160 4.395 4.556 -0.002 0.000 0.299 160 H C 1.848 177.232 175.328 0.093 0.000 1.081 160 H CA 1.569 57.660 56.048 0.072 0.000 1.345 160 H CB -0.222 29.584 29.762 0.074 0.000 1.393 160 H HN 0.559 nan 8.280 nan 0.000 0.520 161 H N 0.247 119.108 119.070 -0.348 0.000 2.518 161 H HA 0.016 4.570 4.556 -0.002 0.000 0.292 161 H C 1.933 177.194 175.328 -0.112 0.000 1.068 161 H CA 1.178 57.037 56.048 -0.316 0.000 1.275 161 H CB 0.085 29.701 29.762 -0.243 0.000 1.375 161 H HN 0.560 nan 8.280 nan 0.000 0.563 162 A N -0.599 122.255 122.820 0.057 0.000 2.169 162 A HA 0.401 4.719 4.320 -0.002 0.000 0.210 162 A C 2.254 179.868 177.584 0.051 0.000 1.168 162 A CA 0.632 52.695 52.037 0.042 0.000 0.813 162 A CB -0.102 18.920 19.000 0.037 0.000 0.861 162 A HN 0.384 nan 8.150 nan 0.000 0.481 163 A N -1.135 121.741 122.820 0.094 0.000 1.935 163 A HA -0.018 4.301 4.320 -0.002 0.000 0.214 163 A C 2.090 179.731 177.584 0.095 0.000 1.178 163 A CA 1.433 53.531 52.037 0.102 0.000 0.640 163 A CB -0.954 18.127 19.000 0.135 0.000 0.825 163 A HN 0.500 nan 8.150 nan 0.000 0.447 164 C N -0.498 118.882 119.300 0.134 0.000 2.457 164 C HA 0.043 4.502 4.460 -0.002 0.000 0.278 164 C C 2.499 177.493 174.990 0.007 0.000 1.309 164 C CA 0.993 60.052 59.018 0.068 0.000 1.735 164 C CB -0.625 27.149 27.740 0.058 0.000 1.992 164 C HN 0.521 nan 8.230 nan 0.000 0.493 165 K N 0.917 121.312 120.400 -0.008 0.000 2.574 165 K HA -0.081 4.238 4.320 -0.002 0.000 0.193 165 K C 1.136 177.738 176.600 0.003 0.000 1.035 165 K CA 1.220 57.501 56.287 -0.009 0.000 0.982 165 K CB -0.070 32.427 32.500 -0.006 0.000 0.795 165 K HN 0.406 nan 8.250 nan 0.000 0.491 166 E N -0.422 119.786 120.200 0.013 0.000 2.562 166 E HA 0.090 4.438 4.350 -0.002 0.000 0.214 166 E C 0.797 177.403 176.600 0.010 0.000 0.979 166 E CA 0.091 56.498 56.400 0.013 0.000 1.002 166 E CB 0.626 30.337 29.700 0.019 0.000 1.048 166 E HN 0.221 nan 8.360 nan 0.000 0.488 167 E N -0.202 120.004 120.200 0.009 0.000 2.201 167 E HA 0.021 4.369 4.350 -0.002 0.000 0.193 167 E C 1.536 178.137 176.600 0.000 0.000 0.957 167 E CA 0.142 56.545 56.400 0.004 0.000 0.858 167 E CB 0.284 29.986 29.700 0.004 0.000 0.816 167 E HN -0.071 nan 8.360 nan 0.000 0.475 168 K N 1.686 122.085 120.400 -0.001 0.000 2.211 168 K HA -0.102 4.217 4.320 -0.002 0.000 0.203 168 K C 2.172 178.770 176.600 -0.003 0.000 1.050 168 K CA 0.470 56.755 56.287 -0.004 0.000 0.945 168 K CB -0.002 32.493 32.500 -0.008 0.000 0.732 168 K HN 0.173 nan 8.250 nan 0.000 0.451 169 L N -0.830 120.392 121.223 -0.001 0.000 2.141 169 L HA 0.001 4.340 4.340 -0.002 0.000 0.209 169 L C 1.770 178.639 176.870 -0.001 0.000 1.094 169 L CA 2.162 57.002 54.840 -0.001 0.000 0.763 169 L CB -1.540 40.520 42.059 0.001 0.000 0.908 169 L HN 0.007 nan 8.230 nan 0.000 0.437 170 A N -0.373 122.447 122.820 -0.001 0.000 2.115 170 A HA 0.233 4.552 4.320 -0.002 0.000 0.211 170 A C 2.272 179.855 177.584 -0.002 0.000 1.169 170 A CA 0.279 52.316 52.037 -0.001 0.000 0.787 170 A CB -0.181 18.819 19.000 -0.001 0.000 0.858 170 A HN 0.369 nan 8.150 nan 0.000 0.474 171 I N 0.853 121.421 120.570 -0.002 0.000 2.252 171 I HA -0.197 3.972 4.170 -0.002 0.000 0.245 171 I C 2.517 178.633 176.117 -0.003 0.000 1.102 171 I CA 1.801 63.099 61.300 -0.003 0.000 1.385 171 I CB -0.066 37.932 38.000 -0.004 0.000 1.064 171 I HN 0.474 nan 8.210 nan 0.000 0.414 172 S N 0.350 116.048 115.700 -0.003 0.000 2.562 172 S HA -0.081 4.388 4.470 -0.002 0.000 0.221 172 S C 1.815 176.414 174.600 -0.002 0.000 0.975 172 S CA 0.156 58.355 58.200 -0.003 0.000 0.918 172 S CB -0.177 63.021 63.200 -0.003 0.000 0.772 172 S HN 0.416 nan 8.310 nan 0.000 0.531 173 R N 1.609 122.107 120.500 -0.002 0.000 2.100 173 R HA 0.223 4.562 4.340 -0.002 0.000 0.220 173 R C 2.159 178.458 176.300 -0.002 0.000 1.091 173 R CA 1.091 57.191 56.100 -0.002 0.000 0.986 173 R CB -0.467 29.832 30.300 -0.001 0.000 0.888 173 R HN 0.426 nan 8.270 nan 0.000 0.444 174 E N 0.287 120.485 120.200 -0.002 0.000 2.028 174 E HA -0.100 4.249 4.350 -0.002 0.000 0.190 174 E C 1.843 178.442 176.600 -0.002 0.000 0.984 174 E CA 1.122 57.521 56.400 -0.002 0.000 0.800 174 E CB -0.112 29.587 29.700 -0.002 0.000 0.758 174 E HN 0.469 nan 8.360 nan 0.000 0.448 175 A N 1.223 124.042 122.820 -0.002 0.000 2.024 175 A HA -0.216 4.102 4.320 -0.002 0.000 0.220 175 A C 1.822 179.405 177.584 -0.002 0.000 1.164 175 A CA 1.654 53.690 52.037 -0.002 0.000 0.643 175 A CB -0.566 18.433 19.000 -0.002 0.000 0.806 175 A HN 0.201 nan 8.150 nan 0.000 0.451 176 N N -0.026 118.673 118.700 -0.002 0.000 2.142 176 N HA -0.110 4.629 4.740 -0.002 0.000 0.186 176 N C 1.924 177.433 175.510 -0.001 0.000 1.023 176 N CA 1.742 54.791 53.050 -0.001 0.000 0.852 176 N CB -0.229 38.258 38.487 -0.001 0.000 0.998 176 N HN 0.556 nan 8.380 nan 0.000 0.424 177 S N -0.850 114.849 115.700 -0.001 0.000 2.558 177 S HA 0.109 4.577 4.470 -0.002 0.000 0.217 177 S C 1.698 176.298 174.600 -0.001 0.000 0.975 177 S CA 0.311 58.510 58.200 -0.001 0.000 0.912 177 S CB 0.168 63.367 63.200 -0.001 0.000 0.776 177 S HN 0.036 nan 8.310 nan 0.000 0.526 178 K N 2.028 122.427 120.400 -0.001 0.000 2.062 178 K HA 0.317 4.636 4.320 -0.002 0.000 0.205 178 K C 2.105 178.705 176.600 -0.001 0.000 1.051 178 K CA 1.242 57.528 56.287 -0.001 0.000 0.941 178 K CB -0.862 31.637 32.500 -0.002 0.000 0.719 178 K HN 0.390 nan 8.250 nan 0.000 0.440 179 A N 0.790 123.609 122.820 -0.001 0.000 2.015 179 A HA -0.058 4.261 4.320 -0.002 0.000 0.219 179 A C 0.313 177.896 177.584 -0.001 0.000 1.163 179 A CA 0.799 52.835 52.037 -0.001 0.000 0.646 179 A CB -0.521 18.478 19.000 -0.001 0.000 0.806 179 A HN 0.326 nan 8.150 nan 0.000 0.448 180 D N -0.040 120.359 120.400 -0.001 0.000 2.443 180 D HA 0.125 4.764 4.640 -0.002 0.000 0.234 180 D C -1.359 174.940 176.300 -0.001 0.000 1.172 180 D CA -0.607 53.392 54.000 -0.001 0.000 0.878 180 D CB 0.526 41.325 40.800 -0.001 0.000 1.204 180 D HN 0.134 nan 8.370 nan 0.000 0.453 181 P HA 0.031 nan 4.420 nan 0.000 0.217 181 P C -0.080 177.220 177.300 -0.001 0.000 1.153 181 P CA 0.426 63.526 63.100 -0.001 0.000 0.843 181 P CB 0.488 32.188 31.700 -0.001 0.000 0.794 182 S N -0.353 115.347 115.700 -0.001 0.000 2.718 182 S HA 0.493 4.962 4.470 -0.002 0.000 0.300 182 S C -0.454 174.146 174.600 -0.001 0.000 1.117 182 S CA -0.743 57.456 58.200 -0.001 0.000 1.002 182 S CB 0.461 63.660 63.200 -0.001 0.000 1.092 182 S HN 0.028 nan 8.310 nan 0.000 0.542 183 L N 1.852 123.074 121.223 -0.001 0.000 3.521 183 L HA -0.171 4.168 4.340 -0.002 0.000 0.653 183 L C -0.462 176.407 176.870 -0.001 0.000 1.077 183 L CA -0.182 54.657 54.840 -0.001 0.000 1.144 183 L CB -1.388 40.670 42.059 -0.001 0.000 1.447 183 L HN 0.717 nan 8.230 nan 0.000 0.811 184 N N 0.322 119.021 118.700 -0.001 0.000 2.197 184 N HA 0.196 4.935 4.740 -0.002 0.000 0.228 184 N C -1.560 173.949 175.510 -0.001 0.000 1.212 184 N CA -0.437 52.613 53.050 -0.001 0.000 0.883 184 N CB 0.218 38.705 38.487 -0.001 0.000 1.107 184 N HN 0.401 nan 8.380 nan 0.000 0.519 185 P HA 0.078 nan 4.420 nan 0.000 0.214 185 P C 1.232 178.532 177.300 -0.001 0.000 1.167 185 P CA 1.082 64.182 63.100 -0.001 0.000 0.882 185 P CB 0.680 32.379 31.700 -0.001 0.000 0.777 186 E N -1.045 119.155 120.200 -0.001 0.000 2.330 186 E HA 0.023 4.372 4.350 -0.002 0.000 0.200 186 E C 1.925 178.524 176.600 -0.001 0.000 0.922 186 E CA 0.240 56.639 56.400 -0.001 0.000 0.935 186 E CB -0.012 29.688 29.700 -0.001 0.000 0.917 186 E HN 0.261 nan 8.360 nan 0.000 0.491 187 Q N 0.855 120.654 119.800 -0.001 0.000 2.439 187 Q HA -0.094 4.245 4.340 -0.002 0.000 0.211 187 Q C 2.039 178.038 176.000 -0.001 0.000 0.978 187 Q CA 0.520 56.322 55.803 -0.001 0.000 0.897 187 Q CB -0.065 28.672 28.738 -0.001 0.000 0.956 187 Q HN 0.205 nan 8.270 nan 0.000 0.483 188 L N 2.017 123.239 121.223 -0.001 0.000 2.044 188 L HA -0.166 4.173 4.340 -0.002 0.000 0.205 188 L C 2.389 179.258 176.870 -0.002 0.000 1.075 188 L CA 2.128 56.968 54.840 -0.001 0.000 0.747 188 L CB -0.722 41.336 42.059 -0.002 0.000 0.903 188 L HN 0.275 nan 8.230 nan 0.000 0.435 189 K N 0.860 121.259 120.400 -0.002 0.000 2.032 189 K HA -0.237 4.082 4.320 -0.002 0.000 0.209 189 K C 1.898 178.497 176.600 -0.002 0.000 1.048 189 K CA 2.038 58.324 56.287 -0.002 0.000 0.927 189 K CB -0.479 32.020 32.500 -0.002 0.000 0.712 189 K HN 0.404 nan 8.250 nan 0.000 0.441 190 K N 1.240 121.639 120.400 -0.002 0.000 2.103 190 K HA -0.120 4.199 4.320 -0.002 0.000 0.207 190 K C 2.199 178.798 176.600 -0.002 0.000 1.048 190 K CA 1.637 57.923 56.287 -0.002 0.000 0.930 190 K CB -0.585 31.914 32.500 -0.001 0.000 0.716 190 K HN 0.148 nan 8.250 nan 0.000 0.444 191 L N 1.064 122.286 121.223 -0.002 0.000 2.042 191 L HA -0.186 4.152 4.340 -0.002 0.000 0.210 191 L C 2.518 179.387 176.870 -0.002 0.000 1.076 191 L CA 1.458 56.297 54.840 -0.002 0.000 0.749 191 L CB -0.446 41.612 42.059 -0.002 0.000 0.893 191 L HN 0.347 nan 8.230 nan 0.000 0.432 192 Q N -0.671 119.127 119.800 -0.002 0.000 2.322 192 Q HA -0.073 4.265 4.340 -0.002 0.000 0.203 192 Q C 0.546 176.544 176.000 -0.003 0.000 0.923 192 Q CA 0.178 55.980 55.803 -0.003 0.000 0.949 192 Q CB 0.314 29.050 28.738 -0.003 0.000 1.039 192 Q HN 0.485 nan 8.270 nan 0.000 0.496 193 D N -0.389 120.009 120.400 -0.002 0.000 2.422 193 D HA -0.006 4.633 4.640 -0.002 0.000 0.218 193 D C 1.083 177.381 176.300 -0.002 0.000 1.047 193 D CA 0.550 54.549 54.000 -0.003 0.000 0.885 193 D CB 0.397 41.196 40.800 -0.002 0.000 1.035 193 D HN 0.016 nan 8.370 nan 0.000 0.502 194 K N 0.722 121.121 120.400 -0.002 0.000 2.358 194 K HA 0.099 4.418 4.320 -0.002 0.000 0.200 194 K C 1.009 177.608 176.600 -0.001 0.000 1.030 194 K CA 0.090 56.376 56.287 -0.001 0.000 1.097 194 K CB 0.499 32.998 32.500 -0.001 0.000 0.862 194 K HN -0.004 nan 8.250 nan 0.000 0.534 195 I N -0.729 119.840 120.570 -0.002 0.000 3.265 195 I HA 0.065 4.233 4.170 -0.002 0.000 0.282 195 I C 1.914 178.028 176.117 -0.004 0.000 1.207 195 I CA 0.464 61.762 61.300 -0.003 0.000 1.449 195 I CB -0.056 37.942 38.000 -0.003 0.000 1.121 195 I HN -0.018 nan 8.210 nan 0.000 0.442 196 E N 1.549 121.746 120.200 -0.004 0.000 2.340 196 E HA -0.043 4.306 4.350 -0.002 0.000 0.194 196 E C 1.758 178.354 176.600 -0.006 0.000 0.996 196 E CA 0.319 56.715 56.400 -0.006 0.000 0.869 196 E CB 0.244 29.941 29.700 -0.006 0.000 0.835 196 E HN 0.283 nan 8.360 nan 0.000 0.493 197 K N 0.285 120.682 120.400 -0.005 0.000 2.057 197 K HA -0.055 4.263 4.320 -0.002 0.000 0.206 197 K C 1.985 178.582 176.600 -0.005 0.000 1.050 197 K CA 0.901 57.186 56.287 -0.005 0.000 0.935 197 K CB -0.394 32.105 32.500 -0.003 0.000 0.715 197 K HN 0.213 nan 8.250 nan 0.000 0.439 198 C N 0.871 120.169 119.300 -0.003 0.000 2.466 198 C HA 0.002 4.461 4.460 -0.002 0.000 0.283 198 C C 2.409 177.395 174.990 -0.007 0.000 1.472 198 C CA 0.309 59.325 59.018 -0.002 0.000 1.765 198 C CB -0.604 27.137 27.740 0.002 0.000 1.724 198 C HN 0.349 nan 8.230 nan 0.000 0.560 199 K N 1.169 121.562 120.400 -0.010 0.000 2.116 199 K HA -0.047 4.271 4.320 -0.002 0.000 0.203 199 K C 2.069 178.656 176.600 -0.021 0.000 1.052 199 K CA 1.313 57.591 56.287 -0.016 0.000 0.952 199 K CB -0.263 32.229 32.500 -0.014 0.000 0.729 199 K HN 0.482 nan 8.250 nan 0.000 0.446 200 Q N 0.135 119.924 119.800 -0.018 0.000 2.167 200 Q HA -0.110 4.229 4.340 -0.002 0.000 0.202 200 Q C 1.164 177.149 176.000 -0.024 0.000 0.970 200 Q CA 1.554 57.345 55.803 -0.020 0.000 0.855 200 Q CB 0.074 28.804 28.738 -0.014 0.000 0.911 200 Q HN 0.316 nan 8.270 nan 0.000 0.438 201 D N -0.259 120.129 120.400 -0.020 0.000 2.077 201 D HA -0.141 4.498 4.640 -0.002 0.000 0.193 201 D C 1.868 178.141 176.300 -0.045 0.000 0.989 201 D CA 1.026 55.015 54.000 -0.020 0.000 0.831 201 D CB -0.497 40.302 40.800 -0.002 0.000 0.979 201 D HN 0.001 nan 8.370 nan 0.000 0.449 202 V N 1.070 120.954 119.914 -0.049 0.000 2.527 202 V HA -0.228 3.891 4.120 -0.002 0.000 0.255 202 V C 2.345 178.351 176.094 -0.147 0.000 1.081 202 V CA 1.391 63.628 62.300 -0.106 0.000 1.092 202 V CB -0.435 31.348 31.823 -0.067 0.000 0.673 202 V HN 0.191 nan 8.190 nan 0.000 0.470 203 L N -0.140 121.029 121.223 -0.091 0.000 2.221 203 L HA 0.002 4.340 4.340 -0.002 0.000 0.202 203 L C 2.415 179.240 176.870 -0.074 0.000 1.074 203 L CA 1.767 56.558 54.840 -0.082 0.000 0.795 203 L CB -0.315 41.713 42.059 -0.053 0.000 0.960 203 L HN 0.267 nan 8.230 nan 0.000 0.458 204 K N -0.016 120.350 120.400 -0.057 0.000 2.031 204 K HA -0.136 4.182 4.320 -0.002 0.000 0.205 204 K C 2.025 178.599 176.600 -0.043 0.000 1.049 204 K CA 2.145 58.407 56.287 -0.041 0.000 0.939 204 K CB -0.760 31.724 32.500 -0.027 0.000 0.717 204 K HN 0.477 nan 8.250 nan 0.000 0.438 205 T N -0.836 113.689 114.554 -0.049 0.000 2.770 205 T HA -0.140 4.209 4.350 -0.002 0.000 0.263 205 T C 1.974 176.638 174.700 -0.060 0.000 1.039 205 T CA 1.490 63.572 62.100 -0.031 0.000 1.142 205 T CB -0.418 68.454 68.868 0.007 0.000 0.868 205 T HN 0.413 nan 8.240 nan 0.000 0.435 206 K N 1.473 121.771 120.400 -0.170 0.000 2.063 206 K HA -0.227 4.091 4.320 -0.002 0.000 0.208 206 K C 2.469 179.010 176.600 -0.098 0.000 1.048 206 K CA 1.891 58.041 56.287 -0.227 0.000 0.928 206 K CB -0.433 31.818 32.500 -0.415 0.000 0.713 206 K HN 0.701 nan 8.250 nan 0.000 0.442 207 E N 1.060 121.211 120.200 -0.083 0.000 2.086 207 E HA -0.269 4.080 4.350 -0.002 0.000 0.200 207 E C 1.538 178.120 176.600 -0.031 0.000 1.012 207 E CA 1.750 58.120 56.400 -0.049 0.000 0.812 207 E CB -0.013 29.662 29.700 -0.042 0.000 0.743 207 E HN 0.393 nan 8.360 nan 0.000 0.453 208 K N -1.154 119.230 120.400 -0.027 0.000 2.211 208 K HA -0.061 4.258 4.320 -0.002 0.000 0.201 208 K C 2.461 179.056 176.600 -0.009 0.000 1.052 208 K CA 0.942 57.219 56.287 -0.016 0.000 0.973 208 K CB -0.231 32.261 32.500 -0.014 0.000 0.766 208 K HN 0.369 nan 8.250 nan 0.000 0.466 209 Y N 1.728 122.029 120.300 0.001 0.000 2.421 209 Y HA -0.066 4.483 4.550 -0.002 0.000 0.292 209 Y C 1.586 177.504 175.900 0.031 0.000 1.136 209 Y CA 1.461 59.580 58.100 0.032 0.000 1.255 209 Y CB -0.526 37.991 38.460 0.095 0.000 0.991 209 Y HN 0.181 nan 8.280 nan 0.000 0.552 210 E N -0.985 119.223 120.200 0.014 0.000 2.489 210 E HA 0.006 4.355 4.350 -0.002 0.000 0.204 210 E C 1.922 178.519 176.600 -0.005 0.000 1.006 210 E CA 0.399 56.806 56.400 0.011 0.000 0.936 210 E CB 0.331 30.038 29.700 0.013 0.000 1.002 210 E HN 0.573 nan 8.360 nan 0.000 0.488 211 K N 1.361 121.755 120.400 -0.010 0.000 2.062 211 K HA -0.092 4.227 4.320 -0.002 0.000 0.205 211 K C 1.978 178.566 176.600 -0.021 0.000 1.051 211 K CA 1.996 58.275 56.287 -0.014 0.000 0.941 211 K CB -0.439 32.052 32.500 -0.015 0.000 0.719 211 K HN 0.025 nan 8.250 nan 0.000 0.440 212 S N 1.444 117.127 115.700 -0.027 0.000 2.383 212 S HA -0.136 4.333 4.470 -0.002 0.000 0.229 212 S C 1.966 176.532 174.600 -0.056 0.000 1.030 212 S CA 1.397 59.571 58.200 -0.045 0.000 1.002 212 S CB -0.901 62.266 63.200 -0.055 0.000 0.829 212 S HN 0.370 nan 8.310 nan 0.000 0.467 213 L N 0.411 121.608 121.223 -0.044 0.000 2.265 213 L HA -0.029 4.309 4.340 -0.002 0.000 0.215 213 L C 2.703 179.556 176.870 -0.028 0.000 1.117 213 L CA 1.006 55.821 54.840 -0.043 0.000 0.782 213 L CB -0.759 41.287 42.059 -0.022 0.000 0.914 213 L HN 0.299 nan 8.230 nan 0.000 0.441 214 K N 0.902 121.290 120.400 -0.020 0.000 1.991 214 K HA -0.113 4.206 4.320 -0.002 0.000 0.207 214 K C 1.946 178.540 176.600 -0.010 0.000 1.045 214 K CA 1.239 57.519 56.287 -0.010 0.000 0.937 214 K CB -0.164 32.331 32.500 -0.008 0.000 0.720 214 K HN 0.388 nan 8.250 nan 0.000 0.438 215 E N 1.437 121.626 120.200 -0.019 0.000 2.085 215 E HA -0.202 4.147 4.350 -0.002 0.000 0.194 215 E C 2.129 178.718 176.600 -0.018 0.000 0.994 215 E CA 0.980 57.370 56.400 -0.016 0.000 0.801 215 E CB -0.280 29.405 29.700 -0.025 0.000 0.743 215 E HN 0.201 nan 8.360 nan 0.000 0.453 216 L N 1.278 122.471 121.223 -0.051 0.000 2.012 216 L HA -0.232 4.107 4.340 -0.002 0.000 0.210 216 L C 1.941 178.826 176.870 0.025 0.000 1.073 216 L CA 1.790 56.586 54.840 -0.072 0.000 0.748 216 L CB -0.145 41.815 42.059 -0.165 0.000 0.891 216 L HN 0.037 nan 8.230 nan 0.000 0.431 217 D N -0.787 119.628 120.400 0.025 0.000 2.178 217 D HA -0.188 4.451 4.640 -0.002 0.000 0.202 217 D C 2.168 178.502 176.300 0.056 0.000 0.974 217 D CA 1.193 55.224 54.000 0.051 0.000 0.841 217 D CB 0.122 40.940 40.800 0.029 0.000 0.953 217 D HN 0.601 nan 8.370 nan 0.000 0.478 218 Q N -0.203 119.623 119.800 0.043 0.000 2.079 218 Q HA -0.043 4.296 4.340 -0.002 0.000 0.200 218 Q C 1.501 177.543 176.000 0.070 0.000 0.974 218 Q CA 1.023 56.853 55.803 0.046 0.000 0.840 218 Q CB 0.057 28.813 28.738 0.031 0.000 0.898 218 Q HN 0.092 nan 8.270 nan 0.000 0.430 219 G N -0.717 108.136 108.800 0.087 0.000 3.882 219 G HA2 0.108 4.066 3.960 -0.002 0.000 0.283 219 G HA3 0.108 4.066 3.960 -0.002 0.000 0.283 219 G C 0.295 175.331 174.900 0.227 0.000 1.283 219 G CA -0.104 45.076 45.100 0.134 0.000 1.402 219 G HN 0.102 nan 8.290 nan 0.000 0.618 220 T N 0.950 115.623 114.554 0.198 0.000 3.019 220 T HA 0.121 4.470 4.350 -0.002 0.000 0.247 220 T C -0.181 174.616 174.700 0.163 0.000 0.992 220 T CA 0.430 62.671 62.100 0.234 0.000 1.036 220 T CB 0.253 69.236 68.868 0.192 0.000 1.063 220 T HN 0.183 nan 8.240 nan 0.000 0.476 221 P HA -0.052 nan 4.420 nan 0.000 0.220 221 P C 1.293 178.641 177.300 0.081 0.000 1.148 221 P CA 1.168 64.305 63.100 0.061 0.000 0.803 221 P CB 0.192 31.919 31.700 0.046 0.000 0.782 222 Q N -0.448 119.423 119.800 0.118 0.000 2.083 222 Q HA -0.169 4.169 4.340 -0.002 0.000 0.198 222 Q C 2.307 178.396 176.000 0.148 0.000 0.969 222 Q CA 1.254 57.128 55.803 0.119 0.000 0.838 222 Q CB -1.340 27.471 28.738 0.123 0.000 0.900 222 Q HN 0.216 nan 8.270 nan 0.000 0.436 223 Y N -0.049 120.298 120.300 0.077 0.000 2.207 223 Y HA -0.212 4.336 4.550 -0.002 0.000 0.287 223 Y C 1.689 177.647 175.900 0.096 0.000 1.156 223 Y CA 1.928 60.070 58.100 0.071 0.000 1.182 223 Y CB -0.087 38.378 38.460 0.008 0.000 0.979 223 Y HN 0.121 nan 8.280 nan 0.000 0.521 224 M N 0.036 119.621 119.600 -0.025 0.000 2.319 224 M HA -0.140 4.339 4.480 -0.002 0.000 0.265 224 M C 2.152 178.514 176.300 0.103 0.000 1.068 224 M CA 1.928 57.208 55.300 -0.033 0.000 1.118 224 M CB -0.381 32.108 32.600 -0.185 0.000 1.395 224 M HN 0.472 nan 8.290 nan 0.000 0.435 225 E N 0.548 120.782 120.200 0.057 0.000 2.230 225 E HA -0.113 4.236 4.350 -0.002 0.000 0.192 225 E C 1.206 177.838 176.600 0.053 0.000 0.987 225 E CA 0.673 57.114 56.400 0.067 0.000 0.841 225 E CB 0.228 29.960 29.700 0.054 0.000 0.783 225 E HN 0.385 nan 8.360 nan 0.000 0.481 226 N N -0.055 118.661 118.700 0.026 0.000 2.467 226 N HA 0.023 4.761 4.740 -0.002 0.000 0.184 226 N C 1.074 176.587 175.510 0.005 0.000 1.106 226 N CA 0.554 53.613 53.050 0.014 0.000 0.892 226 N CB 0.344 38.850 38.487 0.032 0.000 0.969 226 N HN 0.305 nan 8.380 nan 0.000 0.454 227 M N -0.403 119.206 119.600 0.015 0.000 2.491 227 M HA 0.161 4.640 4.480 -0.002 0.000 0.259 227 M C 1.078 177.522 176.300 0.239 0.000 1.163 227 M CA 0.493 55.861 55.300 0.114 0.000 1.109 227 M CB 0.179 32.730 32.600 -0.081 0.000 1.353 227 M HN 0.079 nan 8.290 nan 0.000 0.500 228 E N 0.067 120.374 120.200 0.179 0.000 2.385 228 E HA -0.084 4.265 4.350 -0.002 0.000 0.194 228 E C 1.858 178.556 176.600 0.162 0.000 1.013 228 E CA 0.338 56.849 56.400 0.185 0.000 0.866 228 E CB 0.318 30.115 29.700 0.162 0.000 0.832 228 E HN 0.406 nan 8.360 nan 0.000 0.500 229 Q N 0.731 120.585 119.800 0.091 0.000 2.163 229 Q HA -0.054 4.285 4.340 -0.002 0.000 0.198 229 Q C 2.179 178.163 176.000 -0.028 0.000 0.954 229 Q CA 0.753 56.574 55.803 0.030 0.000 0.851 229 Q CB 0.389 29.131 28.738 0.007 0.000 0.928 229 Q HN 0.158 nan 8.270 nan 0.000 0.459 230 V N 0.841 120.708 119.914 -0.079 0.000 2.453 230 V HA -0.199 3.919 4.120 -0.002 0.000 0.247 230 V C 2.076 178.043 176.094 -0.211 0.000 1.048 230 V CA 1.598 63.722 62.300 -0.294 0.000 1.049 230 V CB -0.754 30.657 31.823 -0.687 0.000 0.672 230 V HN 0.292 nan 8.190 nan 0.000 0.457 231 F N 1.043 120.947 119.950 -0.077 0.000 2.084 231 F HA -0.137 4.388 4.527 -0.002 0.000 0.296 231 F C 2.544 178.341 175.800 -0.006 0.000 1.111 231 F CA 1.842 59.883 58.000 0.068 0.000 1.224 231 F CB -0.133 38.909 39.000 0.070 0.000 0.991 231 F HN 0.040 nan 8.300 nan 0.000 0.471 232 E N 0.297 120.536 120.200 0.064 0.000 2.273 232 E HA -0.265 4.083 4.350 -0.002 0.000 0.198 232 E C 1.994 178.521 176.600 -0.122 0.000 1.002 232 E CA 1.052 57.424 56.400 -0.046 0.000 0.828 232 E CB -0.231 29.501 29.700 0.053 0.000 0.747 232 E HN 0.476 nan 8.360 nan 0.000 0.491 233 Q N -0.443 119.285 119.800 -0.120 0.000 2.096 233 Q HA -0.032 4.306 4.340 -0.002 0.000 0.197 233 Q C 2.272 178.204 176.000 -0.114 0.000 0.964 233 Q CA 1.067 56.802 55.803 -0.113 0.000 0.838 233 Q CB -0.542 28.117 28.738 -0.132 0.000 0.906 233 Q HN 0.263 nan 8.270 nan 0.000 0.444 234 C N 0.637 119.835 119.300 -0.170 0.000 2.413 234 C HA -0.131 4.328 4.460 -0.002 0.000 0.277 234 C C 2.507 177.406 174.990 -0.151 0.000 1.265 234 C CA 0.723 59.675 59.018 -0.110 0.000 1.752 234 C CB -0.687 26.989 27.740 -0.106 0.000 1.998 234 C HN 0.539 nan 8.230 nan 0.000 0.489 235 Q N 0.169 119.757 119.800 -0.353 0.000 2.050 235 Q HA -0.217 4.121 4.340 -0.002 0.000 0.202 235 Q C 2.116 178.040 176.000 -0.127 0.000 0.980 235 Q CA 1.616 57.238 55.803 -0.302 0.000 0.840 235 Q CB -0.616 27.902 28.738 -0.367 0.000 0.898 235 Q HN 0.647 nan 8.270 nan 0.000 0.424 236 Q N -0.085 119.668 119.800 -0.078 0.000 2.181 236 Q HA -0.100 4.239 4.340 -0.002 0.000 0.205 236 Q C 1.620 177.649 176.000 0.049 0.000 0.980 236 Q CA 1.187 56.981 55.803 -0.014 0.000 0.862 236 Q CB -0.382 28.351 28.738 -0.008 0.000 0.905 236 Q HN 0.414 nan 8.270 nan 0.000 0.429 237 F N -0.297 119.593 119.950 -0.100 0.000 2.367 237 F HA -0.061 4.465 4.527 -0.002 0.000 0.298 237 F C 1.913 177.691 175.800 -0.037 0.000 1.094 237 F CA 1.006 58.954 58.000 -0.088 0.000 1.409 237 F CB 0.311 39.235 39.000 -0.126 0.000 1.064 237 F HN 0.095 nan 8.300 nan 0.000 0.528 238 E N 0.789 120.876 120.200 -0.188 0.000 2.122 238 E HA -0.183 4.166 4.350 -0.002 0.000 0.190 238 E C 2.064 178.561 176.600 -0.173 0.000 0.977 238 E CA 1.218 57.472 56.400 -0.243 0.000 0.820 238 E CB -0.317 29.291 29.700 -0.152 0.000 0.770 238 E HN 0.542 nan 8.360 nan 0.000 0.462 239 E N 0.254 120.391 120.200 -0.105 0.000 2.085 239 E HA -0.275 4.074 4.350 -0.002 0.000 0.194 239 E C 1.713 178.293 176.600 -0.033 0.000 0.994 239 E CA 1.324 57.687 56.400 -0.062 0.000 0.801 239 E CB 0.041 29.720 29.700 -0.036 0.000 0.743 239 E HN 0.050 nan 8.360 nan 0.000 0.453 240 K N 0.342 120.740 120.400 -0.004 0.000 2.063 240 K HA -0.170 4.148 4.320 -0.002 0.000 0.208 240 K C 2.282 178.933 176.600 0.086 0.000 1.048 240 K CA 1.544 57.887 56.287 0.093 0.000 0.928 240 K CB -0.166 32.439 32.500 0.176 0.000 0.713 240 K HN 0.021 nan 8.250 nan 0.000 0.442 241 R N 0.633 121.120 120.500 -0.023 0.000 2.066 241 R HA -0.063 4.276 4.340 -0.002 0.000 0.232 241 R C 2.129 178.314 176.300 -0.192 0.000 1.131 241 R CA 1.236 57.208 56.100 -0.215 0.000 0.955 241 R CB -0.297 29.887 30.300 -0.192 0.000 0.851 241 R HN 0.135 nan 8.270 nan 0.000 0.432 242 L N 0.412 121.529 121.223 -0.176 0.000 2.042 242 L HA -0.199 4.139 4.340 -0.002 0.000 0.210 242 L C 2.817 179.670 176.870 -0.029 0.000 1.076 242 L CA 1.569 56.328 54.840 -0.134 0.000 0.749 242 L CB -0.429 41.559 42.059 -0.118 0.000 0.893 242 L HN 0.268 nan 8.230 nan 0.000 0.432 243 R N -0.871 119.620 120.500 -0.015 0.000 2.081 243 R HA -0.196 4.143 4.340 -0.002 0.000 0.235 243 R C 2.292 178.593 176.300 0.001 0.000 1.131 243 R CA 1.699 57.800 56.100 0.002 0.000 0.960 243 R CB -0.504 29.808 30.300 0.020 0.000 0.856 243 R HN 0.233 nan 8.270 nan 0.000 0.436 244 F N 0.719 120.566 119.950 -0.172 0.000 2.069 244 F HA -0.244 4.282 4.527 -0.002 0.000 0.298 244 F C 1.886 177.585 175.800 -0.168 0.000 1.113 244 F CA 1.565 59.392 58.000 -0.287 0.000 1.214 244 F CB -0.374 38.166 39.000 -0.766 0.000 0.978 244 F HN -0.106 nan 8.300 nan 0.000 0.474 245 F N 0.547 120.333 119.950 -0.274 0.000 2.095 245 F HA -0.253 4.273 4.527 -0.002 0.000 0.298 245 F C 2.817 178.456 175.800 -0.268 0.000 1.104 245 F CA 1.726 59.561 58.000 -0.275 0.000 1.232 245 F CB -0.490 38.423 39.000 -0.144 0.000 0.987 245 F HN -0.105 nan 8.300 nan 0.000 0.475 246 R N 0.856 121.347 120.500 -0.015 0.000 2.096 246 R HA -0.219 4.119 4.340 -0.002 0.000 0.235 246 R C 2.163 178.374 176.300 -0.148 0.000 1.127 246 R CA 1.934 57.992 56.100 -0.069 0.000 0.968 246 R CB -0.530 29.745 30.300 -0.041 0.000 0.861 246 R HN 0.399 nan 8.270 nan 0.000 0.440 247 E N 0.011 120.091 120.200 -0.201 0.000 2.072 247 E HA -0.135 4.214 4.350 -0.002 0.000 0.191 247 E C 1.822 178.233 176.600 -0.314 0.000 0.985 247 E CA 1.363 57.626 56.400 -0.230 0.000 0.801 247 E CB 0.155 29.723 29.700 -0.220 0.000 0.750 247 E HN 0.263 nan 8.360 nan 0.000 0.452 248 V N 1.275 120.890 119.914 -0.498 0.000 2.379 248 V HA -0.208 3.911 4.120 -0.002 0.000 0.245 248 V C 2.465 178.366 176.094 -0.323 0.000 1.044 248 V CA 1.167 63.162 62.300 -0.507 0.000 1.036 248 V CB -0.332 31.001 31.823 -0.816 0.000 0.664 248 V HN 0.327 nan 8.190 nan 0.000 0.453 249 L N -0.730 120.317 121.223 -0.294 0.000 2.127 249 L HA -0.198 4.141 4.340 -0.002 0.000 0.211 249 L C 2.365 179.141 176.870 -0.156 0.000 1.089 249 L CA 1.339 56.062 54.840 -0.195 0.000 0.757 249 L CB -0.425 41.544 42.059 -0.150 0.000 0.899 249 L HN 0.325 nan 8.230 nan 0.000 0.434 250 L N -0.552 120.573 121.223 -0.163 0.000 2.046 250 L HA -0.230 4.109 4.340 -0.002 0.000 0.208 250 L C 2.447 179.211 176.870 -0.176 0.000 1.077 250 L CA 1.456 56.209 54.840 -0.144 0.000 0.747 250 L CB -0.332 41.649 42.059 -0.130 0.000 0.896 250 L HN 0.296 nan 8.230 nan 0.000 0.432 251 E N -0.819 119.259 120.200 -0.203 0.000 2.150 251 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 251 E C 2.194 178.591 176.600 -0.338 0.000 0.985 251 E CA 0.829 57.062 56.400 -0.279 0.000 0.814 251 E CB 0.124 29.709 29.700 -0.191 0.000 0.752 251 E HN 0.256 nan 8.360 nan 0.000 0.466 252 V N 1.551 121.372 119.914 -0.155 0.000 2.307 252 V HA -0.289 3.830 4.120 -0.002 0.000 0.245 252 V C 2.470 178.518 176.094 -0.077 0.000 1.045 252 V CA 2.082 64.356 62.300 -0.043 0.000 1.024 252 V CB -0.587 31.212 31.823 -0.040 0.000 0.651 252 V HN 0.351 nan 8.190 nan 0.000 0.449 253 Q N 0.956 120.692 119.800 -0.107 0.000 2.234 253 Q HA -0.241 4.098 4.340 -0.002 0.000 0.206 253 Q C 1.990 177.927 176.000 -0.105 0.000 0.980 253 Q CA 2.120 57.871 55.803 -0.087 0.000 0.869 253 Q CB -0.491 28.197 28.738 -0.084 0.000 0.912 253 Q HN 0.538 nan 8.270 nan 0.000 0.436 254 K N -0.876 119.412 120.400 -0.187 0.000 2.167 254 K HA -0.071 4.248 4.320 -0.002 0.000 0.203 254 K C 1.529 178.024 176.600 -0.175 0.000 1.052 254 K CA 1.109 57.270 56.287 -0.210 0.000 0.956 254 K CB 0.004 32.323 32.500 -0.302 0.000 0.735 254 K HN 0.546 nan 8.250 nan 0.000 0.451 255 H N -0.446 118.591 119.070 -0.056 0.000 2.470 255 H HA 0.032 4.587 4.556 -0.002 0.000 0.289 255 H C 1.685 176.972 175.328 -0.068 0.000 1.033 255 H CA 0.727 56.740 56.048 -0.058 0.000 1.331 255 H CB 0.320 30.051 29.762 -0.051 0.000 1.414 255 H HN 0.049 nan 8.280 nan 0.000 0.545 256 L N 0.207 121.455 121.223 0.040 0.000 2.341 256 L HA -0.032 4.306 4.340 -0.002 0.000 0.214 256 L C 0.541 177.387 176.870 -0.040 0.000 1.115 256 L CA 0.033 54.869 54.840 -0.006 0.000 0.820 256 L CB 0.070 42.124 42.059 -0.008 0.000 0.944 256 L HN 0.230 nan 8.230 nan 0.000 0.452 257 D N 1.051 121.427 120.400 -0.041 0.000 2.363 257 D HA 0.040 4.679 4.640 -0.002 0.000 0.263 257 D C 0.429 176.696 176.300 -0.055 0.000 1.258 257 D CA 0.584 54.558 54.000 -0.043 0.000 0.907 257 D CB 0.936 41.709 40.800 -0.043 0.000 1.107 257 D HN 0.105 nan 8.370 nan 0.000 0.495 258 L N 2.775 123.963 121.223 -0.058 0.000 3.069 258 L HA 0.026 4.365 4.340 -0.002 0.000 0.271 258 L C 1.938 178.856 176.870 0.080 0.000 1.201 258 L CA -0.106 54.686 54.840 -0.080 0.000 1.015 258 L CB 0.262 42.156 42.059 -0.276 0.000 1.371 258 L HN 0.281 nan 8.230 nan 0.000 0.574 259 S N -1.002 114.735 115.700 0.061 0.000 2.395 259 S HA -0.042 4.427 4.470 -0.002 0.000 0.225 259 S C 0.976 175.623 174.600 0.079 0.000 1.027 259 S CA 0.469 58.717 58.200 0.080 0.000 0.965 259 S CB -0.169 63.049 63.200 0.031 0.000 0.812 259 S HN 0.379 nan 8.310 nan 0.000 0.482 260 N N 0.913 119.647 118.700 0.058 0.000 2.776 260 N HA 0.502 5.241 4.740 -0.002 0.000 0.245 260 N C -1.723 173.823 175.510 0.060 0.000 1.121 260 N CA -0.321 52.758 53.050 0.049 0.000 0.852 260 N CB 1.387 39.886 38.487 0.021 0.000 1.142 260 N HN 0.143 nan 8.380 nan 0.000 0.514 261 V N 1.541 121.516 119.914 0.103 0.000 2.760 261 V HA 0.620 4.739 4.120 -0.002 0.000 0.309 261 V C 1.048 177.210 176.094 0.112 0.000 1.077 261 V CA -0.746 61.615 62.300 0.102 0.000 0.910 261 V CB 1.308 33.202 31.823 0.117 0.000 1.008 261 V HN 0.502 nan 8.190 nan 0.000 0.424 262 A N 3.264 126.130 122.820 0.077 0.000 1.841 262 A HA 0.082 4.400 4.320 -0.002 0.000 0.214 262 A C 2.182 179.813 177.584 0.079 0.000 1.195 262 A CA 1.926 54.005 52.037 0.070 0.000 0.611 262 A CB -1.216 17.814 19.000 0.050 0.000 0.835 262 A HN 1.302 nan 8.150 nan 0.000 0.443 263 G N -1.717 107.126 108.800 0.072 0.000 2.469 263 G HA2 -0.327 3.632 3.960 -0.002 0.000 0.220 263 G HA3 -0.327 3.632 3.960 -0.002 0.000 0.220 263 G C 1.553 176.533 174.900 0.134 0.000 1.136 263 G CA 1.440 46.579 45.100 0.066 0.000 0.759 263 G HN 0.484 nan 8.290 nan 0.000 0.562 264 Y N 1.483 121.789 120.300 0.009 0.000 2.181 264 Y HA -0.019 4.529 4.550 -0.002 0.000 0.288 264 Y C 2.694 178.659 175.900 0.108 0.000 1.146 264 Y CA 1.454 59.587 58.100 0.055 0.000 1.164 264 Y CB -0.314 38.176 38.460 0.049 0.000 0.982 264 Y HN 0.206 nan 8.280 nan 0.000 0.515 265 K N -0.591 119.858 120.400 0.081 0.000 2.155 265 K HA -0.013 4.306 4.320 -0.002 0.000 0.203 265 K C 2.308 178.852 176.600 -0.092 0.000 1.052 265 K CA 0.812 57.093 56.287 -0.010 0.000 0.948 265 K CB -0.229 32.287 32.500 0.026 0.000 0.728 265 K HN 0.259 nan 8.250 nan 0.000 0.448 266 A N 1.608 124.335 122.820 -0.155 0.000 1.933 266 A HA -0.161 4.158 4.320 -0.002 0.000 0.218 266 A C 2.070 179.414 177.584 -0.399 0.000 1.175 266 A CA 1.254 53.026 52.037 -0.442 0.000 0.628 266 A CB -0.649 18.236 19.000 -0.191 0.000 0.814 266 A HN 0.184 nan 8.150 nan 0.000 0.444 267 I N -2.187 118.269 120.570 -0.190 0.000 2.248 267 I HA -0.313 3.856 4.170 -0.002 0.000 0.248 267 I C 2.199 178.078 176.117 -0.397 0.000 1.107 267 I CA 1.693 62.835 61.300 -0.263 0.000 1.373 267 I CB -0.364 37.495 38.000 -0.235 0.000 1.055 267 I HN 0.437 nan 8.210 nan 0.000 0.418 268 Y N -0.552 119.632 120.300 -0.194 0.000 2.503 268 Y HA -0.052 4.496 4.550 -0.002 0.000 0.277 268 Y C 2.627 178.486 175.900 -0.068 0.000 1.102 268 Y CA 0.766 58.779 58.100 -0.145 0.000 1.261 268 Y CB -0.345 38.007 38.460 -0.181 0.000 1.096 268 Y HN 0.303 nan 8.280 nan 0.000 0.546 269 H N -1.977 117.136 119.070 0.072 0.000 2.512 269 H HA -0.006 4.548 4.556 -0.002 0.000 0.279 269 H C 0.633 175.971 175.328 0.017 0.000 0.999 269 H CA 1.047 57.118 56.048 0.038 0.000 1.283 269 H CB 0.079 29.856 29.762 0.025 0.000 1.421 269 H HN 0.178 nan 8.280 nan 0.000 0.554 270 D N 1.654 122.035 120.400 -0.032 0.000 2.097 270 D HA -0.100 4.538 4.640 -0.002 0.000 0.197 270 D C 2.454 178.764 176.300 0.016 0.000 0.984 270 D CA 0.613 54.625 54.000 0.020 0.000 0.826 270 D CB -0.133 40.615 40.800 -0.086 0.000 0.973 270 D HN 0.295 nan 8.370 nan 0.000 0.460 271 L N 0.795 121.995 121.223 -0.040 0.000 1.989 271 L HA -0.210 4.129 4.340 -0.002 0.000 0.211 271 L C 2.335 179.232 176.870 0.046 0.000 1.071 271 L CA 1.670 56.495 54.840 -0.025 0.000 0.749 271 L CB -0.273 41.719 42.059 -0.111 0.000 0.890 271 L HN 0.111 nan 8.230 nan 0.000 0.431 272 E N -0.720 119.523 120.200 0.070 0.000 2.049 272 E HA -0.294 4.055 4.350 -0.002 0.000 0.198 272 E C 2.075 178.717 176.600 0.071 0.000 1.007 272 E CA 1.700 58.148 56.400 0.081 0.000 0.809 272 E CB -0.008 29.747 29.700 0.091 0.000 0.749 272 E HN 0.578 nan 8.360 nan 0.000 0.450 273 Q N 0.189 120.036 119.800 0.079 0.000 2.045 273 Q HA -0.152 4.187 4.340 -0.002 0.000 0.206 273 Q C 2.459 178.492 176.000 0.056 0.000 0.991 273 Q CA 1.685 57.527 55.803 0.065 0.000 0.851 273 Q CB -0.474 28.311 28.738 0.077 0.000 0.911 273 Q HN 0.200 nan 8.270 nan 0.000 0.418 274 S N 1.211 116.946 115.700 0.059 0.000 2.374 274 S HA -0.123 4.346 4.470 -0.002 0.000 0.227 274 S C 2.113 176.749 174.600 0.061 0.000 1.037 274 S CA 1.159 59.393 58.200 0.057 0.000 1.024 274 S CB -0.299 62.936 63.200 0.059 0.000 0.861 274 S HN 0.308 nan 8.310 nan 0.000 0.456 275 I N 1.066 121.677 120.570 0.069 0.000 2.353 275 I HA -0.119 4.050 4.170 -0.002 0.000 0.248 275 I C 2.512 178.655 176.117 0.043 0.000 1.119 275 I CA 0.904 62.242 61.300 0.063 0.000 1.417 275 I CB -0.370 37.675 38.000 0.075 0.000 1.078 275 I HN 0.161 nan 8.210 nan 0.000 0.421 276 R N 1.248 121.773 120.500 0.042 0.000 2.152 276 R HA -0.083 4.256 4.340 -0.002 0.000 0.232 276 R C 2.228 178.545 176.300 0.029 0.000 1.117 276 R CA 1.359 57.478 56.100 0.031 0.000 0.981 276 R CB -0.521 29.797 30.300 0.031 0.000 0.870 276 R HN 0.359 nan 8.270 nan 0.000 0.451 277 A N 1.422 124.263 122.820 0.034 0.000 2.172 277 A HA 0.126 4.445 4.320 -0.002 0.000 0.216 277 A C 1.117 178.719 177.584 0.030 0.000 1.154 277 A CA 0.649 52.705 52.037 0.032 0.000 0.701 277 A CB -0.132 18.888 19.000 0.034 0.000 0.789 277 A HN 0.275 nan 8.150 nan 0.000 0.465 278 A N 0.678 123.516 122.820 0.030 0.000 2.484 278 A HA 0.378 4.697 4.320 -0.002 0.000 0.268 278 A C -0.357 177.242 177.584 0.025 0.000 1.114 278 A CA -0.005 52.048 52.037 0.027 0.000 0.780 278 A CB -0.074 18.940 19.000 0.023 0.000 1.061 278 A HN 0.228 nan 8.150 nan 0.000 0.505 279 D N 2.835 123.253 120.400 0.029 0.000 2.460 279 D HA 0.527 5.166 4.640 -0.002 0.000 0.232 279 D C 1.014 177.338 176.300 0.040 0.000 1.079 279 D CA 0.312 54.332 54.000 0.034 0.000 0.864 279 D CB 1.379 42.202 40.800 0.039 0.000 1.048 279 D HN 0.439 nan 8.370 nan 0.000 0.523 280 A N 3.183 126.023 122.820 0.034 0.000 1.883 280 A HA -0.131 4.188 4.320 -0.002 0.000 0.217 280 A C 2.124 179.741 177.584 0.056 0.000 1.186 280 A CA 1.344 53.404 52.037 0.037 0.000 0.624 280 A CB -0.404 18.609 19.000 0.022 0.000 0.822 280 A HN 0.482 nan 8.150 nan 0.000 0.444 281 V N 0.138 120.085 119.914 0.054 0.000 2.427 281 V HA -0.194 3.925 4.120 -0.002 0.000 0.248 281 V C 2.641 178.790 176.094 0.092 0.000 1.051 281 V CA 2.035 64.375 62.300 0.067 0.000 1.048 281 V CB -0.629 31.226 31.823 0.053 0.000 0.666 281 V HN 0.619 nan 8.190 nan 0.000 0.456 282 E N 0.556 120.808 120.200 0.086 0.000 2.058 282 E HA -0.265 4.084 4.350 -0.002 0.000 0.194 282 E C 1.910 178.604 176.600 0.156 0.000 0.997 282 E CA 1.738 58.201 56.400 0.106 0.000 0.801 282 E CB -0.271 29.476 29.700 0.079 0.000 0.746 282 E HN 0.566 nan 8.360 nan 0.000 0.450 283 D N 0.240 120.723 120.400 0.138 0.000 2.178 283 D HA -0.114 4.525 4.640 -0.002 0.000 0.201 283 D C 2.094 178.574 176.300 0.301 0.000 0.980 283 D CA 0.515 54.628 54.000 0.187 0.000 0.842 283 D CB -0.159 40.709 40.800 0.114 0.000 0.948 283 D HN 0.244 nan 8.370 nan 0.000 0.472 284 L N 0.095 121.450 121.223 0.219 0.000 2.109 284 L HA -0.036 4.303 4.340 -0.002 0.000 0.207 284 L C 2.480 179.505 176.870 0.258 0.000 1.086 284 L CA 0.716 55.693 54.840 0.227 0.000 0.760 284 L CB -0.153 41.986 42.059 0.134 0.000 0.910 284 L HN -0.059 nan 8.230 nan 0.000 0.437 285 R N -0.828 119.800 120.500 0.214 0.000 2.091 285 R HA -0.247 4.092 4.340 -0.002 0.000 0.238 285 R C 2.083 178.512 176.300 0.215 0.000 1.136 285 R CA 2.128 58.335 56.100 0.179 0.000 0.959 285 R CB -0.523 29.865 30.300 0.147 0.000 0.856 285 R HN 0.422 nan 8.270 nan 0.000 0.437 286 W N 0.606 121.972 121.300 0.110 0.000 2.381 286 W HA -0.175 4.484 4.660 -0.003 0.000 0.301 286 W C 1.823 178.415 176.519 0.122 0.000 1.205 286 W CA 1.045 58.448 57.345 0.096 0.000 1.285 286 W CB -0.385 29.139 29.460 0.107 0.000 1.133 286 W HN -0.017 nan 8.180 nan 0.000 0.521 287 F N 1.301 121.419 119.950 0.281 0.000 2.293 287 F HA -0.069 4.458 4.527 -0.001 0.000 0.300 287 F C 2.644 178.415 175.800 -0.049 0.000 1.086 287 F CA 2.085 60.153 58.000 0.115 0.000 1.375 287 F CB -0.506 38.682 39.000 0.313 0.000 1.045 287 F HN -0.179 nan 8.300 nan 0.000 0.516 288 R N 0.065 120.635 120.500 0.118 0.000 2.092 288 R HA -0.081 4.257 4.340 -0.002 0.000 0.231 288 R C 2.237 178.452 176.300 -0.143 0.000 1.119 288 R CA 1.249 57.366 56.100 0.028 0.000 0.970 288 R CB -0.435 29.913 30.300 0.080 0.000 0.864 288 R HN 0.310 nan 8.270 nan 0.000 0.440 289 A N 0.525 123.212 122.820 -0.221 0.000 1.930 289 A HA -0.039 4.280 4.320 -0.002 0.000 0.215 289 A C 1.379 178.695 177.584 -0.446 0.000 1.176 289 A CA 1.141 53.014 52.037 -0.273 0.000 0.632 289 A CB -0.108 18.755 19.000 -0.228 0.000 0.819 289 A HN 0.368 nan 8.150 nan 0.000 0.445 290 N N -1.241 117.010 118.700 -0.748 0.000 2.299 290 N HA 0.087 4.825 4.740 -0.002 0.000 0.187 290 N C 0.466 175.258 175.510 -1.197 0.000 1.099 290 N CA 0.590 53.032 53.050 -1.014 0.000 0.867 290 N CB 0.286 37.869 38.487 -1.508 0.000 0.974 290 N HN 0.575 nan 8.380 nan 0.000 0.477 291 H N -2.449 116.188 119.070 -0.722 0.000 3.726 291 H HA 0.365 4.920 4.556 -0.002 0.000 0.262 291 H C 0.716 175.757 175.328 -0.479 0.000 1.181 291 H CA 0.096 55.733 56.048 -0.685 0.000 1.143 291 H CB 0.845 29.927 29.762 -1.133 0.000 1.627 291 H HN 0.080 nan 8.280 nan 0.000 0.750 292 G N 0.795 109.431 108.800 -0.274 0.000 3.217 292 G HA2 0.287 4.246 3.960 -0.002 0.000 0.213 292 G HA3 0.287 4.246 3.960 -0.002 0.000 0.213 292 G C -1.802 173.060 174.900 -0.065 0.000 1.294 292 G CA -1.216 43.829 45.100 -0.092 0.000 0.987 292 G HN -0.214 nan 8.290 nan 0.000 0.584 293 P HA 0.047 nan 4.420 nan 0.000 0.231 293 P C 1.620 178.924 177.300 0.006 0.000 1.158 293 P CA 1.253 64.366 63.100 0.022 0.000 0.763 293 P CB 0.128 31.857 31.700 0.048 0.000 0.805 294 G N -1.192 107.586 108.800 -0.035 0.000 2.511 294 G HA2 -0.063 3.895 3.960 -0.002 0.000 0.217 294 G HA3 -0.063 3.895 3.960 -0.002 0.000 0.217 294 G C 0.672 175.525 174.900 -0.079 0.000 1.133 294 G CA -0.006 45.064 45.100 -0.051 0.000 0.792 294 G HN 0.210 nan 8.290 nan 0.000 0.539 295 M N 1.076 120.607 119.600 -0.115 0.000 2.252 295 M HA 0.328 4.807 4.480 -0.002 0.000 0.321 295 M C 0.799 177.045 176.300 -0.090 0.000 1.070 295 M CA -0.282 54.934 55.300 -0.140 0.000 1.143 295 M CB 0.710 33.206 32.600 -0.173 0.000 1.498 295 M HN 0.130 nan 8.290 nan 0.000 0.445 296 A N 2.858 125.615 122.820 -0.104 0.000 2.351 296 A HA 0.608 4.926 4.320 -0.002 0.000 0.257 296 A C -0.520 176.961 177.584 -0.172 0.000 1.087 296 A CA -0.408 51.578 52.037 -0.085 0.000 0.798 296 A CB 0.606 19.559 19.000 -0.079 0.000 1.033 296 A HN 0.790 nan 8.150 nan 0.000 0.488 297 M N 1.760 121.214 119.600 -0.243 0.000 2.326 297 M HA 0.365 4.844 4.480 -0.002 0.000 0.292 297 M C -1.674 174.207 176.300 -0.699 0.000 1.081 297 M CA -0.594 54.339 55.300 -0.612 0.000 0.919 297 M CB 1.704 33.625 32.600 -1.132 0.000 1.634 297 M HN 0.534 nan 8.290 nan 0.000 0.451 298 N N 4.623 123.009 118.700 -0.522 0.000 2.555 298 N HA 0.210 4.949 4.740 -0.002 0.000 0.244 298 N C -1.727 173.598 175.510 -0.309 0.000 1.114 298 N CA 0.139 53.004 53.050 -0.309 0.000 0.963 298 N CB -0.029 38.356 38.487 -0.171 0.000 1.276 298 N HN 0.612 nan 8.380 nan 0.000 0.510 299 W N 2.506 123.796 121.300 -0.017 0.000 2.266 299 W HA 0.292 4.950 4.660 -0.003 0.000 0.317 299 W C -0.812 175.700 176.519 -0.012 0.000 1.310 299 W CA -1.177 56.160 57.345 -0.014 0.000 1.207 299 W CB -0.656 28.797 29.460 -0.013 0.000 1.199 299 W HN 0.377 nan 8.180 nan 0.000 0.544 300 P HA 0.000 nan 4.420 nan 0.000 0.216 300 P CA 0.000 63.167 63.100 0.112 0.000 0.800 300 P CB 0.000 31.761 31.700 0.102 0.000 0.726