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 2x3w_1_A DATA FIRST_RESID 14 DATA SEQUENCE DSFWEVGNYK RTVKRIDDGH RLCNDLMSCV QERAKIEKAY AQQLTDWAKR DATA SEQUENCE WRQLIEKGPQ YGSLERAWGA MMTEADKVSE LHQEVKNSLL NEDLEKVKNW DATA SEQUENCE QKDAYHKQIM GGFKETKEAE DGFRKAQKPW AKKMKELEAA KKAYHLACKE DATA SEQUENCE ERLAMTREMN SKTEQSVTPE QQKKLVDKVD KCRQDVQKTQ EKYEKVLEDV DATA SEQUENCE GKTTPQYMEG MEQVFEQCQQ FEEKRLVFLK EVLLDIKRHL NLAENSSYMH DATA SEQUENCE VYRELEQAIR GADAQEDLRW FRSTSGPGMP MNWPQFEEWN P 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 14 D HA 0.000 nan 4.640 nan 0.000 0.175 14 D C 0.000 176.336 176.300 0.061 0.000 2.045 14 D CA 0.000 54.027 54.000 0.045 0.000 0.868 14 D CB 0.000 40.834 40.800 0.056 0.000 0.688 15 S N -0.511 115.249 115.700 0.100 0.000 2.592 15 S HA 0.355 4.827 4.470 0.003 0.000 0.271 15 S C 0.845 175.520 174.600 0.125 0.000 1.326 15 S CA -0.535 57.752 58.200 0.146 0.000 1.024 15 S CB 0.295 63.639 63.200 0.240 0.000 0.921 15 S HN 0.284 nan 8.310 nan 0.000 0.527 16 F N 2.994 122.870 119.950 -0.124 0.000 2.269 16 F HA -0.038 4.491 4.527 0.003 0.000 0.301 16 F C 1.061 176.678 175.800 -0.305 0.000 1.082 16 F CA 1.187 59.011 58.000 -0.294 0.000 1.360 16 F CB -0.125 38.573 39.000 -0.503 0.000 1.041 16 F HN 0.694 nan 8.300 nan 0.000 0.512 17 W N 1.480 122.907 121.300 0.213 0.000 2.519 17 W HA 0.004 4.666 4.660 0.003 0.000 0.266 17 W C 0.840 177.423 176.519 0.107 0.000 1.253 17 W CA -0.034 57.377 57.345 0.111 0.000 1.274 17 W CB -0.337 29.217 29.460 0.156 0.000 1.114 17 W HN -0.188 nan 8.180 nan 0.000 0.596 18 E N 1.484 121.837 120.200 0.254 0.000 2.415 18 E HA 0.012 4.364 4.350 0.003 0.000 0.260 18 E C 0.310 176.984 176.600 0.123 0.000 1.016 18 E CA 0.128 56.645 56.400 0.196 0.000 0.924 18 E CB 0.858 30.631 29.700 0.121 0.000 0.961 18 E HN -0.202 nan 8.360 nan 0.000 0.459 19 V N 3.336 123.368 119.914 0.197 0.000 2.795 19 V HA -0.087 4.035 4.120 0.003 0.000 0.298 19 V C 1.636 177.760 176.094 0.051 0.000 1.107 19 V CA 1.853 64.252 62.300 0.165 0.000 1.270 19 V CB -0.608 31.312 31.823 0.161 0.000 0.831 19 V HN 1.074 nan 8.190 nan 0.000 0.473 20 G N 4.350 113.160 108.800 0.016 0.000 2.313 20 G HA2 -0.240 3.722 3.960 0.003 0.000 0.215 20 G HA3 -0.240 3.722 3.960 0.003 0.000 0.215 20 G C 0.520 175.100 174.900 -0.532 0.000 1.023 20 G CA 0.098 45.061 45.100 -0.229 0.000 0.626 20 G HN 0.623 nan 8.290 nan 0.000 0.503 21 N N 1.127 119.622 118.700 -0.341 0.000 2.466 21 N HA 0.206 4.948 4.740 0.003 0.000 0.211 21 N C 1.192 176.438 175.510 -0.439 0.000 1.256 21 N CA 0.793 53.643 53.050 -0.334 0.000 0.840 21 N CB -0.509 37.878 38.487 -0.167 0.000 1.079 21 N HN 0.816 nan 8.380 nan 0.000 0.466 22 Y N -0.458 119.519 120.300 -0.538 0.000 2.466 22 Y HA 0.230 4.782 4.550 0.003 0.000 0.272 22 Y C 1.545 177.239 175.900 -0.344 0.000 1.169 22 Y CA -0.338 57.330 58.100 -0.719 0.000 1.285 22 Y CB -0.258 37.345 38.460 -1.429 0.000 1.078 22 Y HN -0.024 nan 8.280 nan 0.000 0.523 23 K N 1.639 121.709 120.400 -0.550 0.000 2.442 23 K HA -0.094 4.228 4.320 0.003 0.000 0.198 23 K C 1.617 178.183 176.600 -0.056 0.000 1.044 23 K CA 1.131 57.246 56.287 -0.287 0.000 0.948 23 K CB -0.197 32.108 32.500 -0.325 0.000 0.762 23 K HN 0.406 nan 8.250 nan 0.000 0.472 24 R N 0.358 120.846 120.500 -0.020 0.000 2.223 24 R HA 0.100 4.441 4.340 0.003 0.000 0.198 24 R C 1.040 177.422 176.300 0.137 0.000 0.984 24 R CA 0.772 56.906 56.100 0.056 0.000 1.018 24 R CB -0.587 29.741 30.300 0.047 0.000 0.945 24 R HN -0.002 nan 8.270 nan 0.000 0.479 25 T N 1.469 116.144 114.554 0.200 0.000 2.942 25 T HA 0.034 4.386 4.350 0.003 0.000 0.265 25 T C 1.965 176.838 174.700 0.289 0.000 1.062 25 T CA 1.074 63.357 62.100 0.306 0.000 1.139 25 T CB 0.032 69.204 68.868 0.507 0.000 0.883 25 T HN -0.010 nan 8.240 nan 0.000 0.468 26 V N 1.770 121.855 119.914 0.286 0.000 2.270 26 V HA -0.127 3.995 4.120 0.003 0.000 0.245 26 V C 2.502 178.711 176.094 0.193 0.000 1.043 26 V CA 1.537 63.996 62.300 0.265 0.000 1.014 26 V CB -0.558 31.433 31.823 0.281 0.000 0.645 26 V HN 0.406 nan 8.190 nan 0.000 0.447 27 K N 0.300 120.791 120.400 0.152 0.000 2.089 27 K HA -0.292 4.030 4.320 0.003 0.000 0.210 27 K C 2.426 179.116 176.600 0.150 0.000 1.048 27 K CA 1.838 58.204 56.287 0.131 0.000 0.926 27 K CB -0.274 32.281 32.500 0.092 0.000 0.714 27 K HN 0.225 nan 8.250 nan 0.000 0.448 28 R N 0.900 121.494 120.500 0.158 0.000 2.133 28 R HA -0.176 4.166 4.340 0.003 0.000 0.247 28 R C 2.253 178.677 176.300 0.208 0.000 1.151 28 R CA 1.860 58.059 56.100 0.165 0.000 0.971 28 R CB -0.489 29.910 30.300 0.165 0.000 0.866 28 R HN 0.343 nan 8.270 nan 0.000 0.447 29 I N 0.851 121.560 120.570 0.231 0.000 2.163 29 I HA -0.322 3.850 4.170 0.003 0.000 0.243 29 I C 1.991 178.303 176.117 0.325 0.000 1.085 29 I CA 1.632 63.116 61.300 0.306 0.000 1.347 29 I CB -0.380 37.739 38.000 0.200 0.000 1.044 29 I HN 0.196 nan 8.210 nan 0.000 0.408 30 D N 0.693 121.238 120.400 0.242 0.000 2.117 30 D HA -0.185 4.457 4.640 0.003 0.000 0.197 30 D C 1.673 178.062 176.300 0.149 0.000 0.987 30 D CA 1.390 55.518 54.000 0.213 0.000 0.829 30 D CB -0.285 40.646 40.800 0.217 0.000 0.961 30 D HN 0.364 nan 8.370 nan 0.000 0.460 31 D N 0.576 121.062 120.400 0.143 0.000 2.104 31 D HA -0.126 4.516 4.640 0.003 0.000 0.194 31 D C 2.179 178.532 176.300 0.089 0.000 0.994 31 D CA 1.204 55.268 54.000 0.106 0.000 0.830 31 D CB -0.728 40.134 40.800 0.103 0.000 0.959 31 D HN 0.235 nan 8.370 nan 0.000 0.452 32 G N 0.344 109.233 108.800 0.147 0.000 2.529 32 G HA2 -0.370 3.591 3.960 0.003 0.000 0.219 32 G HA3 -0.370 3.591 3.960 0.003 0.000 0.219 32 G C 1.452 176.366 174.900 0.023 0.000 1.177 32 G CA 1.424 46.631 45.100 0.177 0.000 0.773 32 G HN 0.407 nan 8.290 nan 0.000 0.573 33 H N 1.012 119.834 119.070 -0.413 0.000 2.265 33 H HA -0.147 4.411 4.556 0.003 0.000 0.295 33 H C 2.649 177.834 175.328 -0.238 0.000 1.084 33 H CA 2.026 57.651 56.048 -0.705 0.000 1.261 33 H CB -0.184 28.948 29.762 -1.050 0.000 1.360 33 H HN 0.367 nan 8.280 nan 0.000 0.487 34 R N 0.440 120.859 120.500 -0.135 0.000 2.119 34 R HA -0.145 4.197 4.340 0.003 0.000 0.246 34 R C 2.589 178.825 176.300 -0.106 0.000 1.146 34 R CA 1.481 57.517 56.100 -0.107 0.000 0.962 34 R CB -0.256 30.051 30.300 0.011 0.000 0.863 34 R HN 0.319 nan 8.270 nan 0.000 0.442 35 L N 0.711 121.899 121.223 -0.058 0.000 1.989 35 L HA -0.266 4.075 4.340 0.003 0.000 0.211 35 L C 2.672 179.515 176.870 -0.044 0.000 1.071 35 L CA 1.812 56.633 54.840 -0.031 0.000 0.749 35 L CB -1.163 40.898 42.059 0.003 0.000 0.890 35 L HN 0.497 nan 8.230 nan 0.000 0.431 36 C N 0.050 119.319 119.300 -0.052 0.000 2.391 36 C HA -0.203 4.259 4.460 0.003 0.000 0.276 36 C C 2.568 177.526 174.990 -0.053 0.000 1.217 36 C CA 0.883 59.890 59.018 -0.018 0.000 1.766 36 C CB -1.293 26.467 27.740 0.033 0.000 2.046 36 C HN 0.605 nan 8.230 nan 0.000 0.475 37 N N 1.198 119.818 118.700 -0.133 0.000 2.084 37 N HA -0.115 4.627 4.740 0.003 0.000 0.190 37 N C 1.220 176.700 175.510 -0.049 0.000 1.030 37 N CA 1.477 54.466 53.050 -0.102 0.000 0.849 37 N CB -0.700 37.700 38.487 -0.144 0.000 1.012 37 N HN 0.538 nan 8.380 nan 0.000 0.423 38 D N 1.052 121.424 120.400 -0.045 0.000 2.182 38 D HA -0.109 4.533 4.640 0.003 0.000 0.201 38 D C 2.000 178.289 176.300 -0.018 0.000 0.986 38 D CA 0.200 54.186 54.000 -0.025 0.000 0.847 38 D CB -0.179 40.609 40.800 -0.020 0.000 0.942 38 D HN 0.182 nan 8.370 nan 0.000 0.467 39 L N 0.237 121.449 121.223 -0.019 0.000 2.056 39 L HA -0.116 4.226 4.340 0.003 0.000 0.207 39 L C 2.196 179.063 176.870 -0.005 0.000 1.078 39 L CA 1.068 55.900 54.840 -0.014 0.000 0.749 39 L CB -0.223 41.829 42.059 -0.013 0.000 0.901 39 L HN 0.069 nan 8.230 nan 0.000 0.433 40 M N -1.413 118.187 119.600 0.001 0.000 2.254 40 M HA -0.154 4.328 4.480 0.003 0.000 0.265 40 M C 2.257 178.561 176.300 0.006 0.000 1.066 40 M CA 1.286 56.592 55.300 0.010 0.000 1.123 40 M CB -0.219 32.391 32.600 0.016 0.000 1.388 40 M HN 0.150 nan 8.290 nan 0.000 0.425 41 S N 0.035 115.735 115.700 -0.000 0.000 2.368 41 S HA -0.161 4.311 4.470 0.003 0.000 0.224 41 S C 2.044 176.645 174.600 0.002 0.000 1.029 41 S CA 1.216 59.417 58.200 0.001 0.000 0.988 41 S CB -0.521 62.678 63.200 -0.002 0.000 0.838 41 S HN 0.624 nan 8.310 nan 0.000 0.462 42 C N 1.260 120.559 119.300 -0.002 0.000 2.413 42 C HA -0.020 4.442 4.460 0.003 0.000 0.276 42 C C 2.753 177.744 174.990 0.001 0.000 1.248 42 C CA 1.240 60.256 59.018 -0.003 0.000 1.742 42 C CB -1.222 26.513 27.740 -0.008 0.000 2.017 42 C HN 0.470 nan 8.230 nan 0.000 0.481 43 V N 0.347 120.263 119.914 0.003 0.000 2.719 43 V HA -0.136 3.986 4.120 0.003 0.000 0.252 43 V C 2.280 178.381 176.094 0.012 0.000 1.065 43 V CA 2.509 64.814 62.300 0.008 0.000 1.086 43 V CB -0.859 30.969 31.823 0.008 0.000 0.700 43 V HN 0.771 nan 8.190 nan 0.000 0.467 44 Q N -0.004 119.803 119.800 0.011 0.000 2.084 44 Q HA -0.225 4.117 4.340 0.003 0.000 0.202 44 Q C 2.199 178.208 176.000 0.015 0.000 0.978 44 Q CA 2.386 58.197 55.803 0.014 0.000 0.844 44 Q CB -0.158 28.588 28.738 0.013 0.000 0.898 44 Q HN 0.817 nan 8.270 nan 0.000 0.426 45 E N -0.158 120.048 120.200 0.012 0.000 2.106 45 E HA -0.213 4.139 4.350 0.003 0.000 0.192 45 E C 2.092 178.701 176.600 0.015 0.000 0.984 45 E CA 0.857 57.263 56.400 0.011 0.000 0.806 45 E CB -0.080 29.624 29.700 0.007 0.000 0.750 45 E HN 0.115 nan 8.360 nan 0.000 0.458 46 R N 1.521 122.030 120.500 0.015 0.000 2.081 46 R HA -0.098 4.244 4.340 0.003 0.000 0.235 46 R C 2.055 178.376 176.300 0.035 0.000 1.131 46 R CA 1.630 57.743 56.100 0.021 0.000 0.960 46 R CB -0.754 29.557 30.300 0.019 0.000 0.856 46 R HN 0.148 nan 8.270 nan 0.000 0.436 47 A N 0.825 123.664 122.820 0.033 0.000 1.917 47 A HA -0.241 4.081 4.320 0.003 0.000 0.219 47 A C 2.158 179.768 177.584 0.044 0.000 1.182 47 A CA 1.957 54.018 52.037 0.039 0.000 0.633 47 A CB -0.627 18.388 19.000 0.026 0.000 0.819 47 A HN 0.458 nan 8.150 nan 0.000 0.448 48 K N -0.465 119.955 120.400 0.034 0.000 2.057 48 K HA -0.049 4.273 4.320 0.003 0.000 0.206 48 K C 1.832 178.455 176.600 0.039 0.000 1.050 48 K CA 1.376 57.683 56.287 0.033 0.000 0.935 48 K CB -0.295 32.219 32.500 0.024 0.000 0.715 48 K HN 0.481 nan 8.250 nan 0.000 0.439 49 I N 1.522 122.113 120.570 0.035 0.000 2.226 49 I HA -0.261 3.911 4.170 0.003 0.000 0.245 49 I C 2.207 178.358 176.117 0.058 0.000 1.100 49 I CA 1.231 62.550 61.300 0.031 0.000 1.374 49 I CB -0.144 37.864 38.000 0.013 0.000 1.057 49 I HN 0.233 nan 8.210 nan 0.000 0.413 50 E N 0.614 120.866 120.200 0.087 0.000 2.150 50 E HA -0.247 4.105 4.350 0.003 0.000 0.193 50 E C 2.049 178.730 176.600 0.135 0.000 0.985 50 E CA 0.908 57.400 56.400 0.152 0.000 0.814 50 E CB -0.205 29.622 29.700 0.211 0.000 0.752 50 E HN 0.473 nan 8.360 nan 0.000 0.466 51 K N 0.793 121.250 120.400 0.094 0.000 2.155 51 K HA -0.022 4.300 4.320 0.003 0.000 0.203 51 K C 2.097 178.733 176.600 0.061 0.000 1.052 51 K CA 0.851 57.181 56.287 0.072 0.000 0.948 51 K CB 0.038 32.570 32.500 0.053 0.000 0.728 51 K HN 0.022 nan 8.250 nan 0.000 0.448 52 A N 0.794 123.654 122.820 0.066 0.000 1.858 52 A HA -0.218 4.104 4.320 0.003 0.000 0.216 52 A C 2.060 179.699 177.584 0.093 0.000 1.190 52 A CA 1.457 53.533 52.037 0.065 0.000 0.617 52 A CB -1.062 17.971 19.000 0.055 0.000 0.827 52 A HN 0.574 nan 8.150 nan 0.000 0.443 53 Y N 0.380 120.643 120.300 -0.062 0.000 2.070 53 Y HA -0.214 4.338 4.550 0.003 0.000 0.280 53 Y C 2.749 178.600 175.900 -0.081 0.000 1.148 53 Y CA 1.668 59.702 58.100 -0.109 0.000 1.125 53 Y CB -0.364 37.961 38.460 -0.224 0.000 0.975 53 Y HN 0.358 nan 8.280 nan 0.000 0.492 54 A N 0.182 122.906 122.820 -0.160 0.000 1.927 54 A HA -0.372 3.950 4.320 0.003 0.000 0.220 54 A C 2.091 179.623 177.584 -0.087 0.000 1.185 54 A CA 2.293 54.229 52.037 -0.169 0.000 0.639 54 A CB -1.074 17.922 19.000 -0.006 0.000 0.820 54 A HN 0.723 nan 8.150 nan 0.000 0.451 55 Q N -1.062 118.726 119.800 -0.020 0.000 2.084 55 Q HA -0.210 4.132 4.340 0.003 0.000 0.202 55 Q C 2.297 178.310 176.000 0.021 0.000 0.978 55 Q CA 1.856 57.665 55.803 0.010 0.000 0.844 55 Q CB -0.122 28.632 28.738 0.027 0.000 0.898 55 Q HN 0.814 nan 8.270 nan 0.000 0.426 56 Q N -0.430 119.384 119.800 0.022 0.000 2.172 56 Q HA -0.085 4.257 4.340 0.003 0.000 0.200 56 Q C 2.042 178.081 176.000 0.065 0.000 0.964 56 Q CA 0.807 56.644 55.803 0.056 0.000 0.855 56 Q CB 0.111 28.893 28.738 0.073 0.000 0.918 56 Q HN 0.399 nan 8.270 nan 0.000 0.444 57 L N -0.225 120.975 121.223 -0.038 0.000 2.093 57 L HA -0.154 4.188 4.340 0.003 0.000 0.208 57 L C 2.334 179.286 176.870 0.137 0.000 1.085 57 L CA 1.059 55.897 54.840 -0.004 0.000 0.755 57 L CB -0.502 41.439 42.059 -0.197 0.000 0.904 57 L HN 0.213 nan 8.230 nan 0.000 0.435 58 T N -0.886 113.708 114.554 0.066 0.000 2.708 58 T HA -0.183 4.169 4.350 0.003 0.000 0.266 58 T C 1.487 176.247 174.700 0.101 0.000 1.037 58 T CA 1.475 63.618 62.100 0.072 0.000 1.146 58 T CB -0.189 68.699 68.868 0.033 0.000 0.865 58 T HN 0.347 nan 8.240 nan 0.000 0.435 59 D N -0.415 120.053 120.400 0.112 0.000 2.144 59 D HA -0.070 4.572 4.640 0.003 0.000 0.200 59 D C 1.744 178.147 176.300 0.171 0.000 0.978 59 D CA 0.689 54.751 54.000 0.104 0.000 0.833 59 D CB -0.174 40.678 40.800 0.086 0.000 0.961 59 D HN 0.482 nan 8.370 nan 0.000 0.470 60 W N 2.246 123.583 121.300 0.061 0.000 2.355 60 W HA -0.140 4.521 4.660 0.003 0.000 0.309 60 W C 2.452 179.078 176.519 0.179 0.000 1.206 60 W CA 2.193 59.633 57.345 0.159 0.000 1.284 60 W CB -0.265 29.299 29.460 0.174 0.000 1.145 60 W HN -0.069 nan 8.180 nan 0.000 0.502 61 A N 0.526 123.507 122.820 0.269 0.000 1.908 61 A HA -0.264 4.058 4.320 0.003 0.000 0.218 61 A C 2.062 179.610 177.584 -0.061 0.000 1.181 61 A CA 2.174 54.236 52.037 0.042 0.000 0.627 61 A CB -1.030 18.037 19.000 0.111 0.000 0.818 61 A HN 0.418 nan 8.150 nan 0.000 0.445 62 K N -0.480 119.903 120.400 -0.028 0.000 2.002 62 K HA -0.185 4.136 4.320 0.003 0.000 0.209 62 K C 2.370 178.884 176.600 -0.143 0.000 1.048 62 K CA 1.504 57.748 56.287 -0.071 0.000 0.930 62 K CB -0.258 32.217 32.500 -0.043 0.000 0.714 62 K HN 0.428 nan 8.250 nan 0.000 0.438 63 R N -0.460 119.931 120.500 -0.182 0.000 2.080 63 R HA -0.168 4.174 4.340 0.003 0.000 0.236 63 R C 1.941 177.946 176.300 -0.493 0.000 1.137 63 R CA 2.263 58.154 56.100 -0.349 0.000 0.943 63 R CB -0.392 29.664 30.300 -0.406 0.000 0.846 63 R HN 0.362 nan 8.270 nan 0.000 0.431 64 W N 0.049 121.120 121.300 -0.383 0.000 2.518 64 W HA 0.133 4.794 4.660 0.002 0.000 0.273 64 W C 2.491 178.724 176.519 -0.476 0.000 1.247 64 W CA 0.226 57.282 57.345 -0.482 0.000 1.288 64 W CB -0.003 29.016 29.460 -0.735 0.000 1.107 64 W HN 0.130 nan 8.180 nan 0.000 0.586 65 R N 0.865 121.240 120.500 -0.208 0.000 2.091 65 R HA -0.253 4.089 4.340 0.003 0.000 0.238 65 R C 2.186 178.366 176.300 -0.200 0.000 1.136 65 R CA 2.116 58.085 56.100 -0.218 0.000 0.959 65 R CB -0.437 29.766 30.300 -0.162 0.000 0.856 65 R HN 0.286 nan 8.270 nan 0.000 0.437 66 Q N 0.040 119.728 119.800 -0.187 0.000 1.990 66 Q HA -0.174 4.168 4.340 0.003 0.000 0.200 66 Q C 1.972 177.874 176.000 -0.163 0.000 0.980 66 Q CA 1.311 57.017 55.803 -0.163 0.000 0.832 66 Q CB -0.029 28.612 28.738 -0.161 0.000 0.897 66 Q HN 0.217 nan 8.270 nan 0.000 0.427 67 L N 0.904 122.004 121.223 -0.206 0.000 2.043 67 L HA -0.217 4.125 4.340 0.003 0.000 0.212 67 L C 2.267 179.074 176.870 -0.106 0.000 1.075 67 L CA 1.584 56.328 54.840 -0.159 0.000 0.752 67 L CB -0.890 41.028 42.059 -0.236 0.000 0.891 67 L HN 0.372 nan 8.230 nan 0.000 0.432 68 I N -0.880 119.568 120.570 -0.202 0.000 2.113 68 I HA -0.297 3.875 4.170 0.003 0.000 0.238 68 I C 2.410 178.432 176.117 -0.158 0.000 1.070 68 I CA 1.291 62.406 61.300 -0.309 0.000 1.332 68 I CB -0.277 37.345 38.000 -0.630 0.000 1.044 68 I HN 0.310 nan 8.210 nan 0.000 0.402 69 E N 0.876 120.986 120.200 -0.149 0.000 2.110 69 E HA -0.259 4.093 4.350 0.003 0.000 0.193 69 E C 2.089 178.664 176.600 -0.041 0.000 0.988 69 E CA 1.406 57.752 56.400 -0.090 0.000 0.804 69 E CB -0.049 29.596 29.700 -0.092 0.000 0.745 69 E HN 0.536 nan 8.360 nan 0.000 0.458 70 K N 0.629 121.003 120.400 -0.043 0.000 2.314 70 K HA 0.067 4.389 4.320 0.003 0.000 0.198 70 K C 1.225 177.833 176.600 0.013 0.000 1.045 70 K CA 0.648 56.926 56.287 -0.015 0.000 0.988 70 K CB 0.065 32.548 32.500 -0.028 0.000 0.783 70 K HN -0.020 nan 8.250 nan 0.000 0.484 71 G N 2.377 111.187 108.800 0.016 0.000 2.661 71 G HA2 0.050 4.012 3.960 0.003 0.000 0.272 71 G HA3 0.050 4.012 3.960 0.003 0.000 0.272 71 G C -1.573 173.387 174.900 0.100 0.000 1.296 71 G CA -0.753 44.385 45.100 0.063 0.000 0.998 71 G HN 0.180 nan 8.290 nan 0.000 0.553 72 P HA 0.101 nan 4.420 nan 0.000 0.257 72 P C 0.401 177.861 177.300 0.267 0.000 1.241 72 P CA 0.016 63.220 63.100 0.173 0.000 0.816 72 P CB 0.348 32.138 31.700 0.149 0.000 1.150 73 Q N 1.614 121.566 119.800 0.253 0.000 2.364 73 Q HA 0.180 4.522 4.340 0.003 0.000 0.267 73 Q C -0.556 175.608 176.000 0.274 0.000 0.999 73 Q CA 0.159 56.121 55.803 0.265 0.000 0.886 73 Q CB -0.036 28.855 28.738 0.255 0.000 1.243 73 Q HN 0.312 nan 8.270 nan 0.000 0.415 74 Y N 0.861 121.182 120.300 0.034 0.000 2.669 74 Y HA 0.817 5.369 4.550 0.003 0.000 0.335 74 Y C 0.581 176.401 175.900 -0.134 0.000 1.116 74 Y CA -0.923 57.141 58.100 -0.060 0.000 1.081 74 Y CB 0.433 38.871 38.460 -0.036 0.000 1.297 74 Y HN 0.919 nan 8.280 nan 0.000 0.484 75 G N 0.896 109.544 108.800 -0.253 0.000 2.601 75 G HA2 -0.297 3.665 3.960 0.003 0.000 0.261 75 G HA3 -0.297 3.665 3.960 0.003 0.000 0.261 75 G C 0.776 175.535 174.900 -0.235 0.000 1.289 75 G CA 0.673 45.568 45.100 -0.341 0.000 0.920 75 G HN 1.735 nan 8.290 nan 0.000 0.571 76 S N -0.750 114.831 115.700 -0.198 0.000 2.481 76 S HA 0.117 4.589 4.470 0.003 0.000 0.231 76 S C 2.244 176.783 174.600 -0.100 0.000 0.996 76 S CA 1.354 59.480 58.200 -0.124 0.000 0.942 76 S CB 0.092 63.235 63.200 -0.094 0.000 0.768 76 S HN 0.789 nan 8.310 nan 0.000 0.520 77 L N 1.441 122.582 121.223 -0.138 0.000 2.156 77 L HA 0.078 4.420 4.340 0.003 0.000 0.208 77 L C 2.630 179.507 176.870 0.010 0.000 1.095 77 L CA 1.649 56.439 54.840 -0.084 0.000 0.770 77 L CB -0.694 41.282 42.059 -0.139 0.000 0.914 77 L HN 0.495 nan 8.230 nan 0.000 0.439 78 E N -0.124 120.062 120.200 -0.024 0.000 2.072 78 E HA -0.248 4.104 4.350 0.003 0.000 0.191 78 E C 2.186 178.796 176.600 0.017 0.000 0.985 78 E CA 0.887 57.314 56.400 0.045 0.000 0.801 78 E CB 0.169 29.862 29.700 -0.011 0.000 0.750 78 E HN 0.381 nan 8.360 nan 0.000 0.452 79 R N 0.005 120.488 120.500 -0.028 0.000 2.073 79 R HA -0.102 4.240 4.340 0.003 0.000 0.234 79 R C 2.351 178.649 176.300 -0.003 0.000 1.134 79 R CA 1.362 57.441 56.100 -0.035 0.000 0.952 79 R CB -0.282 29.986 30.300 -0.053 0.000 0.850 79 R HN 0.130 nan 8.270 nan 0.000 0.433 80 A N 0.146 122.977 122.820 0.018 0.000 1.902 80 A HA -0.216 4.106 4.320 0.003 0.000 0.217 80 A C 1.847 179.503 177.584 0.121 0.000 1.181 80 A CA 1.357 53.417 52.037 0.039 0.000 0.623 80 A CB -0.880 18.131 19.000 0.017 0.000 0.818 80 A HN 0.609 nan 8.150 nan 0.000 0.443 81 W N 0.930 122.183 121.300 -0.078 0.000 2.388 81 W HA -0.007 4.654 4.660 0.002 0.000 0.294 81 W C 2.121 178.592 176.519 -0.081 0.000 1.212 81 W CA 1.186 58.483 57.345 -0.080 0.000 1.271 81 W CB -0.888 28.519 29.460 -0.088 0.000 1.126 81 W HN 0.236 nan 8.180 nan 0.000 0.535 82 G N 0.012 108.794 108.800 -0.029 0.000 2.484 82 G HA2 -0.047 3.915 3.960 0.003 0.000 0.218 82 G HA3 -0.047 3.915 3.960 0.003 0.000 0.218 82 G C 1.588 176.432 174.900 -0.093 0.000 1.130 82 G CA 0.881 45.877 45.100 -0.174 0.000 0.784 82 G HN 0.353 nan 8.290 nan 0.000 0.543 83 A N 0.070 122.872 122.820 -0.030 0.000 2.119 83 A HA 0.269 4.591 4.320 0.003 0.000 0.217 83 A C 2.165 179.737 177.584 -0.020 0.000 1.153 83 A CA 1.093 53.108 52.037 -0.035 0.000 0.692 83 A CB -0.228 18.752 19.000 -0.033 0.000 0.799 83 A HN 0.386 nan 8.150 nan 0.000 0.458 84 M N -1.789 117.831 119.600 0.034 0.000 2.319 84 M HA -0.036 4.446 4.480 0.003 0.000 0.265 84 M C 1.724 178.090 176.300 0.111 0.000 1.068 84 M CA 1.196 56.556 55.300 0.100 0.000 1.118 84 M CB -0.062 32.668 32.600 0.218 0.000 1.395 84 M HN 0.339 nan 8.290 nan 0.000 0.435 85 M N -0.581 119.013 119.600 -0.010 0.000 2.394 85 M HA -0.095 4.387 4.480 0.003 0.000 0.264 85 M C 2.137 178.442 176.300 0.008 0.000 1.073 85 M CA 1.524 56.810 55.300 -0.025 0.000 1.111 85 M CB -0.688 31.825 32.600 -0.145 0.000 1.401 85 M HN 0.400 nan 8.290 nan 0.000 0.448 86 T N -2.123 112.416 114.554 -0.026 0.000 2.937 86 T HA -0.057 4.295 4.350 0.003 0.000 0.260 86 T C 1.575 176.237 174.700 -0.065 0.000 1.051 86 T CA 1.045 63.119 62.100 -0.043 0.000 1.141 86 T CB -0.372 68.459 68.868 -0.062 0.000 0.879 86 T HN 0.449 nan 8.240 nan 0.000 0.459 87 E N 3.150 123.291 120.200 -0.098 0.000 2.058 87 E HA -0.023 4.329 4.350 0.003 0.000 0.194 87 E C 2.342 178.894 176.600 -0.080 0.000 0.997 87 E CA 1.452 57.731 56.400 -0.201 0.000 0.801 87 E CB -1.122 28.361 29.700 -0.361 0.000 0.746 87 E HN 0.556 nan 8.360 nan 0.000 0.450 88 A N 1.137 123.990 122.820 0.055 0.000 1.892 88 A HA -0.265 4.057 4.320 0.003 0.000 0.218 88 A C 2.002 179.617 177.584 0.052 0.000 1.188 88 A CA 2.041 54.146 52.037 0.114 0.000 0.631 88 A CB -0.897 18.325 19.000 0.371 0.000 0.822 88 A HN 0.299 nan 8.150 nan 0.000 0.447 89 D N -0.451 119.975 120.400 0.043 0.000 2.144 89 D HA -0.094 4.548 4.640 0.003 0.000 0.200 89 D C 1.973 178.277 176.300 0.006 0.000 0.978 89 D CA 1.060 55.072 54.000 0.021 0.000 0.833 89 D CB -0.090 40.716 40.800 0.009 0.000 0.961 89 D HN 0.285 nan 8.370 nan 0.000 0.470 90 K N 0.417 120.809 120.400 -0.014 0.000 2.062 90 K HA 0.004 4.326 4.320 0.003 0.000 0.205 90 K C 2.256 178.869 176.600 0.021 0.000 1.051 90 K CA 0.259 56.540 56.287 -0.010 0.000 0.941 90 K CB -0.757 31.714 32.500 -0.048 0.000 0.719 90 K HN 0.090 nan 8.250 nan 0.000 0.440 91 V N 1.714 121.640 119.914 0.020 0.000 2.490 91 V HA -0.216 3.906 4.120 0.003 0.000 0.250 91 V C 2.652 178.829 176.094 0.138 0.000 1.061 91 V CA 1.966 64.336 62.300 0.116 0.000 1.064 91 V CB -0.472 31.436 31.823 0.142 0.000 0.670 91 V HN 0.378 nan 8.190 nan 0.000 0.461 92 S N -0.351 115.371 115.700 0.037 0.000 2.356 92 S HA -0.281 4.190 4.470 0.003 0.000 0.223 92 S C 2.101 176.739 174.600 0.062 0.000 1.032 92 S CA 2.041 60.250 58.200 0.014 0.000 1.005 92 S CB -0.319 62.870 63.200 -0.018 0.000 0.867 92 S HN 0.725 nan 8.310 nan 0.000 0.449 93 E N 0.116 120.344 120.200 0.046 0.000 2.130 93 E HA -0.156 4.196 4.350 0.003 0.000 0.196 93 E C 2.049 178.679 176.600 0.050 0.000 0.998 93 E CA 1.339 57.764 56.400 0.042 0.000 0.806 93 E CB -0.200 29.517 29.700 0.030 0.000 0.738 93 E HN 0.589 nan 8.360 nan 0.000 0.459 94 L N -0.086 121.172 121.223 0.059 0.000 2.072 94 L HA -0.143 4.199 4.340 0.003 0.000 0.205 94 L C 2.548 179.403 176.870 -0.026 0.000 1.079 94 L CA 0.885 55.736 54.840 0.019 0.000 0.752 94 L CB -0.464 41.611 42.059 0.027 0.000 0.906 94 L HN 0.265 nan 8.230 nan 0.000 0.436 95 H N -0.167 118.942 119.070 0.065 0.000 2.491 95 H HA -0.082 4.476 4.556 0.003 0.000 0.290 95 H C 2.135 177.490 175.328 0.045 0.000 1.050 95 H CA 0.867 56.957 56.048 0.071 0.000 1.309 95 H CB 0.281 30.097 29.762 0.091 0.000 1.392 95 H HN 0.424 nan 8.280 nan 0.000 0.554 96 Q N 0.701 120.575 119.800 0.123 0.000 2.167 96 Q HA -0.095 4.247 4.340 0.003 0.000 0.202 96 Q C 1.888 177.910 176.000 0.037 0.000 0.970 96 Q CA 0.728 56.572 55.803 0.069 0.000 0.855 96 Q CB 0.046 28.812 28.738 0.047 0.000 0.911 96 Q HN 0.666 nan 8.270 nan 0.000 0.438 97 E N 0.096 120.311 120.200 0.024 0.000 2.107 97 E HA -0.080 4.272 4.350 0.003 0.000 0.191 97 E C 2.197 178.786 176.600 -0.018 0.000 0.982 97 E CA 0.679 57.078 56.400 -0.002 0.000 0.809 97 E CB 0.150 29.850 29.700 -0.000 0.000 0.756 97 E HN 0.073 nan 8.360 nan 0.000 0.459 98 V N 2.156 122.069 119.914 -0.001 0.000 2.287 98 V HA -0.292 3.830 4.120 0.003 0.000 0.248 98 V C 2.485 178.581 176.094 0.004 0.000 1.053 98 V CA 1.854 64.159 62.300 0.008 0.000 1.027 98 V CB -0.466 31.374 31.823 0.028 0.000 0.646 98 V HN 0.219 nan 8.190 nan 0.000 0.447 99 K N 0.009 120.429 120.400 0.032 0.000 2.026 99 K HA -0.223 4.099 4.320 0.003 0.000 0.208 99 K C 2.034 178.627 176.600 -0.011 0.000 1.048 99 K CA 1.845 58.148 56.287 0.026 0.000 0.929 99 K CB -0.249 32.280 32.500 0.048 0.000 0.713 99 K HN 0.427 nan 8.250 nan 0.000 0.439 100 N N 0.503 119.190 118.700 -0.022 0.000 2.166 100 N HA -0.086 4.655 4.740 0.003 0.000 0.186 100 N C 1.825 177.279 175.510 -0.093 0.000 1.019 100 N CA 1.033 54.058 53.050 -0.040 0.000 0.856 100 N CB -0.220 38.249 38.487 -0.030 0.000 0.993 100 N HN 0.116 nan 8.380 nan 0.000 0.426 101 S N 0.864 116.469 115.700 -0.158 0.000 2.355 101 S HA -0.010 4.462 4.470 0.003 0.000 0.222 101 S C 1.888 176.308 174.600 -0.300 0.000 1.031 101 S CA 0.469 58.456 58.200 -0.355 0.000 0.993 101 S CB -0.112 62.717 63.200 -0.619 0.000 0.859 101 S HN 0.109 nan 8.310 nan 0.000 0.453 102 L N 1.361 122.492 121.223 -0.154 0.000 2.042 102 L HA -0.057 4.285 4.340 0.003 0.000 0.210 102 L C 2.075 178.925 176.870 -0.033 0.000 1.076 102 L CA 1.618 56.426 54.840 -0.054 0.000 0.749 102 L CB -1.042 41.014 42.059 -0.005 0.000 0.893 102 L HN 0.305 nan 8.230 nan 0.000 0.432 103 L N -1.420 119.784 121.223 -0.032 0.000 2.084 103 L HA -0.068 4.274 4.340 0.003 0.000 0.202 103 L C 2.143 179.005 176.870 -0.013 0.000 1.074 103 L CA 0.669 55.503 54.840 -0.011 0.000 0.757 103 L CB -0.536 41.520 42.059 -0.004 0.000 0.918 103 L HN 0.235 nan 8.230 nan 0.000 0.444 104 N N -0.207 118.474 118.700 -0.031 0.000 2.331 104 N HA -0.111 4.630 4.740 0.003 0.000 0.180 104 N C 1.489 176.987 175.510 -0.019 0.000 1.019 104 N CA 1.009 54.046 53.050 -0.021 0.000 0.881 104 N CB 0.115 38.585 38.487 -0.029 0.000 0.972 104 N HN 0.505 nan 8.380 nan 0.000 0.435 105 E N 0.113 120.284 120.200 -0.048 0.000 2.176 105 E HA 0.042 4.394 4.350 0.003 0.000 0.194 105 E C 0.822 177.435 176.600 0.023 0.000 0.947 105 E CA 0.060 56.449 56.400 -0.017 0.000 0.960 105 E CB -0.046 29.620 29.700 -0.057 0.000 1.002 105 E HN 0.061 nan 8.360 nan 0.000 0.479 106 D N 1.944 122.353 120.400 0.016 0.000 2.087 106 D HA -0.163 4.479 4.640 0.003 0.000 0.192 106 D C 2.035 178.361 176.300 0.043 0.000 0.993 106 D CA 0.765 54.793 54.000 0.046 0.000 0.828 106 D CB -0.353 40.486 40.800 0.065 0.000 0.968 106 D HN 0.005 nan 8.370 nan 0.000 0.448 107 L N 1.441 122.684 121.223 0.034 0.000 1.971 107 L HA -0.187 4.155 4.340 0.003 0.000 0.215 107 L C 2.165 179.077 176.870 0.071 0.000 1.072 107 L CA 1.882 56.749 54.840 0.044 0.000 0.758 107 L CB -0.810 41.266 42.059 0.029 0.000 0.889 107 L HN -0.001 nan 8.230 nan 0.000 0.433 108 E N 0.014 120.251 120.200 0.063 0.000 2.097 108 E HA -0.295 4.057 4.350 0.003 0.000 0.196 108 E C 2.116 178.789 176.600 0.122 0.000 1.000 108 E CA 1.409 57.856 56.400 0.078 0.000 0.804 108 E CB -0.203 29.533 29.700 0.059 0.000 0.740 108 E HN 0.461 nan 8.360 nan 0.000 0.454 109 K N 0.648 121.132 120.400 0.139 0.000 2.063 109 K HA -0.135 4.187 4.320 0.003 0.000 0.208 109 K C 2.140 178.961 176.600 0.368 0.000 1.048 109 K CA 1.340 57.761 56.287 0.222 0.000 0.928 109 K CB 0.038 32.645 32.500 0.178 0.000 0.713 109 K HN -0.060 nan 8.250 nan 0.000 0.442 110 V N 1.639 121.747 119.914 0.323 0.000 2.261 110 V HA -0.272 3.849 4.120 0.003 0.000 0.246 110 V C 2.450 178.723 176.094 0.299 0.000 1.047 110 V CA 2.109 64.645 62.300 0.392 0.000 1.015 110 V CB -0.576 31.387 31.823 0.234 0.000 0.642 110 V HN 0.424 nan 8.190 nan 0.000 0.446 111 K N 0.283 120.797 120.400 0.191 0.000 2.015 111 K HA -0.285 4.037 4.320 0.003 0.000 0.216 111 K C 2.121 178.802 176.600 0.135 0.000 1.052 111 K CA 2.251 58.620 56.287 0.138 0.000 0.937 111 K CB -0.311 32.246 32.500 0.096 0.000 0.719 111 K HN 0.429 nan 8.250 nan 0.000 0.446 112 N N 0.119 118.901 118.700 0.137 0.000 2.094 112 N HA -0.220 4.521 4.740 0.003 0.000 0.191 112 N C 1.355 176.909 175.510 0.073 0.000 1.023 112 N CA 1.535 54.645 53.050 0.100 0.000 0.857 112 N CB -0.597 37.957 38.487 0.112 0.000 1.013 112 N HN 0.423 nan 8.380 nan 0.000 0.426 113 W N 2.091 123.341 121.300 -0.084 0.000 2.358 113 W HA -0.153 4.509 4.660 0.003 0.000 0.303 113 W C 2.574 178.971 176.519 -0.202 0.000 1.208 113 W CA 1.604 58.781 57.345 -0.280 0.000 1.274 113 W CB -0.361 28.624 29.460 -0.792 0.000 1.138 113 W HN 0.179 nan 8.180 nan 0.000 0.515 114 Q N 0.848 120.733 119.800 0.142 0.000 2.096 114 Q HA -0.301 4.041 4.340 0.003 0.000 0.204 114 Q C 2.411 178.365 176.000 -0.077 0.000 0.982 114 Q CA 2.196 58.057 55.803 0.097 0.000 0.850 114 Q CB -0.500 28.352 28.738 0.189 0.000 0.901 114 Q HN 0.294 nan 8.270 nan 0.000 0.422 115 K N -0.023 120.333 120.400 -0.072 0.000 2.063 115 K HA -0.201 4.120 4.320 0.003 0.000 0.208 115 K C 0.841 177.287 176.600 -0.257 0.000 1.048 115 K CA 1.941 58.169 56.287 -0.098 0.000 0.928 115 K CB -0.007 32.477 32.500 -0.028 0.000 0.713 115 K HN 0.221 nan 8.250 nan 0.000 0.442 116 D N -0.421 119.788 120.400 -0.318 0.000 2.323 116 D HA 0.040 4.682 4.640 0.003 0.000 0.209 116 D C 1.338 177.324 176.300 -0.524 0.000 0.973 116 D CA 0.775 54.576 54.000 -0.332 0.000 0.874 116 D CB 0.405 41.049 40.800 -0.260 0.000 0.930 116 D HN 0.358 nan 8.370 nan 0.000 0.521 117 A N -0.616 121.768 122.820 -0.728 0.000 1.924 117 A HA 0.073 4.395 4.320 0.003 0.000 0.211 117 A C 0.055 177.177 177.584 -0.770 0.000 1.198 117 A CA 0.409 51.963 52.037 -0.805 0.000 0.657 117 A CB -0.055 18.153 19.000 -1.320 0.000 0.852 117 A HN 0.146 nan 8.150 nan 0.000 0.454 118 Y N 0.594 120.547 120.300 -0.579 0.000 2.345 118 Y HA 0.500 5.052 4.550 0.003 0.000 0.331 118 Y C -0.654 174.960 175.900 -0.478 0.000 0.959 118 Y CA -0.635 57.134 58.100 -0.553 0.000 1.204 118 Y CB 0.886 38.888 38.460 -0.764 0.000 1.135 118 Y HN 0.315 nan 8.280 nan 0.000 0.477 119 H N 1.433 120.567 119.070 0.107 0.000 2.511 119 H HA 0.375 4.933 4.556 0.003 0.000 0.328 119 H C -0.323 175.173 175.328 0.280 0.000 1.044 119 H CA -1.186 54.955 56.048 0.156 0.000 1.212 119 H CB 1.261 31.050 29.762 0.045 0.000 1.428 119 H HN 0.370 nan 8.280 nan 0.000 0.483 120 K N 1.926 122.521 120.400 0.326 0.000 2.319 120 K HA 0.127 4.449 4.320 0.003 0.000 0.265 120 K C -0.406 176.231 176.600 0.062 0.000 1.000 120 K CA 0.017 56.375 56.287 0.118 0.000 0.943 120 K CB 0.538 33.059 32.500 0.036 0.000 0.950 120 K HN 0.618 nan 8.250 nan 0.000 0.485 121 Q N 1.844 121.629 119.800 -0.025 0.000 2.375 121 Q HA 0.228 4.570 4.340 0.003 0.000 0.271 121 Q C 0.724 176.700 176.000 -0.039 0.000 1.074 121 Q CA -0.574 55.218 55.803 -0.018 0.000 0.808 121 Q CB 1.568 30.296 28.738 -0.018 0.000 1.327 121 Q HN 0.664 nan 8.270 nan 0.000 0.441 122 I N -0.568 119.988 120.570 -0.024 0.000 2.614 122 I HA -0.154 4.018 4.170 0.003 0.000 0.258 122 I C 1.663 177.761 176.117 -0.031 0.000 1.189 122 I CA 1.519 62.803 61.300 -0.026 0.000 1.462 122 I CB -0.175 37.816 38.000 -0.016 0.000 1.092 122 I HN 0.676 nan 8.210 nan 0.000 0.442 123 M N 0.950 120.532 119.600 -0.030 0.000 2.619 123 M HA 0.262 4.744 4.480 0.003 0.000 0.251 123 M C 0.750 177.025 176.300 -0.042 0.000 1.106 123 M CA 0.872 56.155 55.300 -0.028 0.000 1.086 123 M CB -0.176 32.413 32.600 -0.019 0.000 1.465 123 M HN 0.560 nan 8.290 nan 0.000 0.506 124 G N 0.259 109.019 108.800 -0.066 0.000 3.209 124 G HA2 0.295 4.256 3.960 0.003 0.000 0.686 124 G HA3 0.295 4.256 3.960 0.003 0.000 0.686 124 G C -0.153 174.665 174.900 -0.137 0.000 1.065 124 G CA -0.607 44.432 45.100 -0.101 0.000 0.812 124 G HN 1.047 nan 8.290 nan 0.000 0.573 125 G N 0.328 108.973 108.800 -0.259 0.000 2.582 125 G HA2 0.326 4.288 3.960 0.003 0.000 0.222 125 G HA3 0.326 4.288 3.960 0.003 0.000 0.222 125 G C -0.291 174.335 174.900 -0.457 0.000 1.311 125 G CA -0.063 44.818 45.100 -0.365 0.000 0.915 125 G HN 1.670 nan 8.290 nan 0.000 0.528 126 F N 0.902 120.848 119.950 -0.006 0.000 2.450 126 F HA 0.599 5.128 4.527 0.003 0.000 0.332 126 F C 1.621 177.424 175.800 0.005 0.000 1.093 126 F CA -0.209 57.795 58.000 0.007 0.000 1.003 126 F CB 2.111 41.135 39.000 0.040 0.000 1.151 126 F HN 0.736 nan 8.300 nan 0.000 0.474 127 K N 1.145 121.670 120.400 0.209 0.000 2.074 127 K HA -0.235 4.087 4.320 0.003 0.000 0.209 127 K C 1.330 177.954 176.600 0.039 0.000 1.048 127 K CA 2.154 58.496 56.287 0.092 0.000 0.926 127 K CB 0.079 32.627 32.500 0.079 0.000 0.713 127 K HN 0.692 nan 8.250 nan 0.000 0.444 128 E N -0.129 120.087 120.200 0.026 0.000 2.077 128 E HA -0.111 4.241 4.350 0.003 0.000 0.193 128 E C 1.959 178.500 176.600 -0.099 0.000 0.989 128 E CA 1.830 58.134 56.400 -0.159 0.000 0.800 128 E CB -0.299 29.161 29.700 -0.399 0.000 0.746 128 E HN 0.326 nan 8.360 nan 0.000 0.452 129 T N 0.426 115.015 114.554 0.058 0.000 2.746 129 T HA -0.156 4.196 4.350 0.003 0.000 0.267 129 T C 1.795 176.539 174.700 0.074 0.000 1.039 129 T CA 1.555 63.714 62.100 0.098 0.000 1.142 129 T CB -0.163 68.821 68.868 0.193 0.000 0.866 129 T HN -0.037 nan 8.240 nan 0.000 0.444 130 K N 1.353 121.790 120.400 0.060 0.000 2.148 130 K HA -0.022 4.300 4.320 0.003 0.000 0.204 130 K C 2.102 178.712 176.600 0.017 0.000 1.050 130 K CA 1.304 57.618 56.287 0.045 0.000 0.942 130 K CB -0.135 32.384 32.500 0.031 0.000 0.724 130 K HN 0.383 nan 8.250 nan 0.000 0.446 131 E N -0.699 119.487 120.200 -0.023 0.000 2.107 131 E HA -0.076 4.276 4.350 0.003 0.000 0.191 131 E C 1.855 178.406 176.600 -0.083 0.000 0.982 131 E CA 0.874 57.237 56.400 -0.061 0.000 0.809 131 E CB -0.101 29.540 29.700 -0.098 0.000 0.756 131 E HN 0.408 nan 8.360 nan 0.000 0.459 132 A N 1.226 124.003 122.820 -0.072 0.000 1.902 132 A HA -0.275 4.047 4.320 0.003 0.000 0.217 132 A C 2.042 179.644 177.584 0.029 0.000 1.181 132 A CA 1.766 53.757 52.037 -0.076 0.000 0.623 132 A CB -0.457 18.562 19.000 0.031 0.000 0.818 132 A HN 0.234 nan 8.150 nan 0.000 0.443 133 E N -0.412 119.869 120.200 0.135 0.000 2.072 133 E HA -0.212 4.140 4.350 0.003 0.000 0.191 133 E C 1.338 178.004 176.600 0.109 0.000 0.985 133 E CA 1.344 57.883 56.400 0.232 0.000 0.801 133 E CB -0.066 29.765 29.700 0.219 0.000 0.750 133 E HN 0.535 nan 8.360 nan 0.000 0.452 134 D N -0.485 119.938 120.400 0.038 0.000 2.097 134 D HA -0.096 4.546 4.640 0.003 0.000 0.197 134 D C 1.843 178.117 176.300 -0.044 0.000 0.984 134 D CA 1.304 55.307 54.000 0.006 0.000 0.826 134 D CB -0.773 40.023 40.800 -0.006 0.000 0.973 134 D HN 0.342 nan 8.370 nan 0.000 0.460 135 G N -0.177 108.556 108.800 -0.112 0.000 2.469 135 G HA2 -0.275 3.687 3.960 0.003 0.000 0.219 135 G HA3 -0.275 3.687 3.960 0.003 0.000 0.219 135 G C 1.594 176.365 174.900 -0.215 0.000 1.150 135 G CA 0.435 45.422 45.100 -0.189 0.000 0.763 135 G HN 0.237 nan 8.290 nan 0.000 0.561 136 F N 0.200 120.010 119.950 -0.234 0.000 2.060 136 F HA 0.038 4.567 4.527 0.003 0.000 0.295 136 F C 2.910 178.492 175.800 -0.363 0.000 1.120 136 F CA 1.375 59.114 58.000 -0.434 0.000 1.205 136 F CB -0.224 38.145 39.000 -1.053 0.000 0.986 136 F HN -0.033 nan 8.300 nan 0.000 0.470 137 R N 0.958 121.386 120.500 -0.119 0.000 2.134 137 R HA -0.295 4.047 4.340 0.003 0.000 0.248 137 R C 2.268 178.594 176.300 0.043 0.000 1.143 137 R CA 2.310 58.413 56.100 0.004 0.000 0.957 137 R CB -0.350 29.993 30.300 0.072 0.000 0.867 137 R HN 0.243 nan 8.270 nan 0.000 0.441 138 K N -0.428 119.985 120.400 0.023 0.000 2.025 138 K HA -0.088 4.233 4.320 0.003 0.000 0.207 138 K C 1.819 178.459 176.600 0.067 0.000 1.049 138 K CA 1.496 57.806 56.287 0.037 0.000 0.933 138 K CB -0.207 32.300 32.500 0.011 0.000 0.714 138 K HN 0.236 nan 8.250 nan 0.000 0.438 139 A N 0.705 123.563 122.820 0.063 0.000 2.178 139 A HA -0.164 4.157 4.320 0.003 0.000 0.218 139 A C 1.839 179.556 177.584 0.222 0.000 1.157 139 A CA 1.457 53.564 52.037 0.117 0.000 0.689 139 A CB -0.336 18.717 19.000 0.088 0.000 0.787 139 A HN 0.622 nan 8.150 nan 0.000 0.465 140 Q N -1.051 118.870 119.800 0.203 0.000 2.281 140 Q HA 0.159 4.501 4.340 0.003 0.000 0.215 140 Q C 1.707 177.834 176.000 0.211 0.000 0.867 140 Q CA 0.311 56.282 55.803 0.281 0.000 0.940 140 Q CB 0.053 28.937 28.738 0.243 0.000 1.111 140 Q HN 0.605 nan 8.270 nan 0.000 0.513 141 K N 0.814 121.305 120.400 0.152 0.000 1.978 141 K HA -0.116 4.206 4.320 0.003 0.000 0.214 141 K C -0.962 175.700 176.600 0.103 0.000 1.049 141 K CA 1.768 58.121 56.287 0.110 0.000 0.939 141 K CB -0.531 32.018 32.500 0.081 0.000 0.721 141 K HN 0.163 nan 8.250 nan 0.000 0.441 142 P HA -0.252 nan 4.420 nan 0.000 0.214 142 P C 1.000 178.350 177.300 0.084 0.000 1.169 142 P CA 1.300 64.458 63.100 0.097 0.000 0.908 142 P CB -0.340 31.438 31.700 0.131 0.000 0.791 143 W N 0.757 121.993 121.300 -0.106 0.000 2.321 143 W HA -0.242 4.420 4.660 0.003 0.000 0.306 143 W C 2.071 178.475 176.519 -0.193 0.000 1.217 143 W CA 1.998 59.188 57.345 -0.259 0.000 1.257 143 W CB -0.761 28.275 29.460 -0.706 0.000 1.145 143 W HN -0.083 nan 8.180 nan 0.000 0.509 144 A N 0.757 123.595 122.820 0.031 0.000 1.883 144 A HA -0.294 4.028 4.320 0.003 0.000 0.217 144 A C 2.064 179.588 177.584 -0.101 0.000 1.186 144 A CA 2.285 54.307 52.037 -0.024 0.000 0.624 144 A CB -1.106 17.931 19.000 0.061 0.000 0.822 144 A HN 0.383 nan 8.150 nan 0.000 0.444 145 K N -0.400 119.958 120.400 -0.070 0.000 2.147 145 K HA -0.157 4.165 4.320 0.003 0.000 0.205 145 K C 2.028 178.551 176.600 -0.130 0.000 1.049 145 K CA 1.786 58.030 56.287 -0.073 0.000 0.936 145 K CB -0.121 32.358 32.500 -0.035 0.000 0.722 145 K HN 0.446 nan 8.250 nan 0.000 0.446 146 K N -0.456 119.815 120.400 -0.215 0.000 2.262 146 K HA 0.053 4.375 4.320 0.003 0.000 0.200 146 K C 1.864 178.254 176.600 -0.350 0.000 1.049 146 K CA 0.339 56.464 56.287 -0.270 0.000 0.979 146 K CB 0.240 32.549 32.500 -0.319 0.000 0.773 146 K HN 0.053 nan 8.250 nan 0.000 0.474 147 M N 0.726 120.063 119.600 -0.438 0.000 2.349 147 M HA -0.042 4.439 4.480 0.003 0.000 0.266 147 M C 1.562 177.744 176.300 -0.196 0.000 1.076 147 M CA 1.359 56.438 55.300 -0.368 0.000 1.126 147 M CB -0.351 32.015 32.600 -0.390 0.000 1.392 147 M HN 0.073 nan 8.290 nan 0.000 0.440 148 K N 0.634 120.940 120.400 -0.157 0.000 2.002 148 K HA -0.156 4.166 4.320 0.003 0.000 0.209 148 K C 1.907 178.453 176.600 -0.091 0.000 1.048 148 K CA 1.434 57.662 56.287 -0.100 0.000 0.930 148 K CB -0.090 32.365 32.500 -0.075 0.000 0.714 148 K HN 0.434 nan 8.250 nan 0.000 0.438 149 E N 1.204 121.345 120.200 -0.098 0.000 2.058 149 E HA -0.205 4.147 4.350 0.003 0.000 0.194 149 E C 2.116 178.674 176.600 -0.069 0.000 0.997 149 E CA 0.899 57.254 56.400 -0.076 0.000 0.801 149 E CB -0.208 29.446 29.700 -0.076 0.000 0.746 149 E HN 0.211 nan 8.360 nan 0.000 0.450 150 L N 1.191 122.360 121.223 -0.090 0.000 2.081 150 L HA -0.262 4.080 4.340 0.003 0.000 0.212 150 L C 2.572 179.418 176.870 -0.040 0.000 1.080 150 L CA 1.713 56.526 54.840 -0.045 0.000 0.754 150 L CB -0.160 41.840 42.059 -0.097 0.000 0.893 150 L HN 0.153 nan 8.230 nan 0.000 0.433 151 E N 0.304 120.457 120.200 -0.078 0.000 2.017 151 E HA -0.208 4.144 4.350 0.003 0.000 0.193 151 E C 2.034 178.568 176.600 -0.111 0.000 0.997 151 E CA 1.859 58.204 56.400 -0.091 0.000 0.804 151 E CB -0.341 29.312 29.700 -0.077 0.000 0.757 151 E HN 0.453 nan 8.360 nan 0.000 0.448 152 A N 1.102 123.871 122.820 -0.085 0.000 1.903 152 A HA -0.204 4.118 4.320 0.003 0.000 0.219 152 A C 2.511 180.036 177.584 -0.099 0.000 1.191 152 A CA 2.953 54.943 52.037 -0.078 0.000 0.638 152 A CB -1.357 17.610 19.000 -0.055 0.000 0.823 152 A HN 0.451 nan 8.150 nan 0.000 0.451 153 A N -0.536 122.229 122.820 -0.091 0.000 1.877 153 A HA -0.184 4.138 4.320 0.003 0.000 0.216 153 A C 2.136 179.545 177.584 -0.292 0.000 1.186 153 A CA 2.121 54.103 52.037 -0.092 0.000 0.620 153 A CB -0.526 18.489 19.000 0.025 0.000 0.822 153 A HN 0.583 nan 8.150 nan 0.000 0.443 154 K N -0.398 119.703 120.400 -0.498 0.000 2.074 154 K HA -0.222 4.099 4.320 0.003 0.000 0.209 154 K C 1.974 178.242 176.600 -0.553 0.000 1.048 154 K CA 1.666 57.416 56.287 -0.894 0.000 0.926 154 K CB -0.072 32.038 32.500 -0.651 0.000 0.713 154 K HN 0.254 nan 8.250 nan 0.000 0.444 155 K N 0.328 120.543 120.400 -0.307 0.000 1.985 155 K HA -0.134 4.188 4.320 0.003 0.000 0.210 155 K C 2.220 178.763 176.600 -0.096 0.000 1.047 155 K CA 1.460 57.644 56.287 -0.172 0.000 0.932 155 K CB -0.738 31.698 32.500 -0.107 0.000 0.716 155 K HN 0.262 nan 8.250 nan 0.000 0.439 156 A N 0.965 123.740 122.820 -0.075 0.000 1.903 156 A HA -0.255 4.067 4.320 0.003 0.000 0.219 156 A C 2.233 179.827 177.584 0.017 0.000 1.191 156 A CA 2.058 54.082 52.037 -0.021 0.000 0.638 156 A CB -1.108 17.888 19.000 -0.006 0.000 0.823 156 A HN 0.506 nan 8.150 nan 0.000 0.451 157 Y N -0.602 119.631 120.300 -0.112 0.000 2.293 157 Y HA -0.218 4.334 4.550 0.003 0.000 0.291 157 Y C 2.300 178.245 175.900 0.076 0.000 1.137 157 Y CA 2.172 60.250 58.100 -0.037 0.000 1.202 157 Y CB -0.303 38.100 38.460 -0.095 0.000 0.990 157 Y HN 0.560 nan 8.280 nan 0.000 0.537 158 H N -0.838 118.071 119.070 -0.268 0.000 2.448 158 H HA -0.061 4.496 4.556 0.003 0.000 0.292 158 H C 2.241 177.434 175.328 -0.225 0.000 1.035 158 H CA 0.776 56.640 56.048 -0.308 0.000 1.349 158 H CB 0.185 29.855 29.762 -0.154 0.000 1.425 158 H HN 0.342 nan 8.280 nan 0.000 0.539 159 L N 0.618 121.824 121.223 -0.028 0.000 2.141 159 L HA -0.109 4.233 4.340 0.003 0.000 0.209 159 L C 2.543 179.365 176.870 -0.080 0.000 1.094 159 L CA 0.865 55.676 54.840 -0.049 0.000 0.763 159 L CB -0.306 41.735 42.059 -0.030 0.000 0.908 159 L HN 0.244 nan 8.230 nan 0.000 0.437 160 A N -1.089 121.670 122.820 -0.102 0.000 1.930 160 A HA -0.212 4.110 4.320 0.003 0.000 0.217 160 A C 2.282 179.783 177.584 -0.139 0.000 1.175 160 A CA 1.634 53.614 52.037 -0.096 0.000 0.627 160 A CB -0.977 17.988 19.000 -0.057 0.000 0.815 160 A HN 0.605 nan 8.150 nan 0.000 0.443 161 C N -0.890 118.263 119.300 -0.246 0.000 2.486 161 C HA 0.042 4.504 4.460 0.003 0.000 0.279 161 C C 2.621 177.518 174.990 -0.154 0.000 1.302 161 C CA 1.051 59.931 59.018 -0.230 0.000 1.720 161 C CB -0.919 26.604 27.740 -0.362 0.000 2.030 161 C HN 0.756 nan 8.230 nan 0.000 0.490 162 K N 1.161 121.472 120.400 -0.148 0.000 2.103 162 K HA -0.172 4.150 4.320 0.003 0.000 0.207 162 K C 1.906 178.463 176.600 -0.072 0.000 1.048 162 K CA 1.482 57.708 56.287 -0.102 0.000 0.930 162 K CB -0.102 32.346 32.500 -0.087 0.000 0.716 162 K HN 0.384 nan 8.250 nan 0.000 0.444 163 E N 0.626 120.786 120.200 -0.066 0.000 2.152 163 E HA -0.184 4.168 4.350 0.003 0.000 0.192 163 E C 1.831 178.406 176.600 -0.041 0.000 0.983 163 E CA 0.900 57.273 56.400 -0.046 0.000 0.818 163 E CB 0.052 29.728 29.700 -0.039 0.000 0.758 163 E HN 0.494 nan 8.360 nan 0.000 0.467 164 E N 0.829 120.999 120.200 -0.050 0.000 2.072 164 E HA -0.218 4.134 4.350 0.003 0.000 0.191 164 E C 2.147 178.725 176.600 -0.037 0.000 0.985 164 E CA 0.938 57.315 56.400 -0.039 0.000 0.801 164 E CB 0.099 29.773 29.700 -0.043 0.000 0.750 164 E HN -0.082 nan 8.360 nan 0.000 0.452 165 R N 0.541 121.013 120.500 -0.047 0.000 2.083 165 R HA -0.165 4.176 4.340 0.003 0.000 0.237 165 R C 2.056 178.337 176.300 -0.031 0.000 1.137 165 R CA 1.456 57.532 56.100 -0.041 0.000 0.951 165 R CB -0.759 29.511 30.300 -0.050 0.000 0.851 165 R HN 0.168 nan 8.270 nan 0.000 0.434 166 L N 0.655 121.859 121.223 -0.032 0.000 2.093 166 L HA 0.090 4.432 4.340 0.003 0.000 0.208 166 L C 2.485 179.343 176.870 -0.020 0.000 1.085 166 L CA 2.024 56.849 54.840 -0.025 0.000 0.755 166 L CB -1.487 40.557 42.059 -0.025 0.000 0.904 166 L HN 0.376 nan 8.230 nan 0.000 0.435 167 A N -1.167 121.641 122.820 -0.021 0.000 1.978 167 A HA -0.219 4.103 4.320 0.003 0.000 0.220 167 A C 2.340 179.916 177.584 -0.014 0.000 1.170 167 A CA 1.944 53.971 52.037 -0.016 0.000 0.636 167 A CB -0.406 18.584 19.000 -0.016 0.000 0.810 167 A HN 0.398 nan 8.150 nan 0.000 0.448 168 M N -1.519 118.072 119.600 -0.016 0.000 2.191 168 M HA -0.064 4.418 4.480 0.003 0.000 0.262 168 M C 1.982 178.274 176.300 -0.012 0.000 1.083 168 M CA 1.639 56.931 55.300 -0.013 0.000 1.154 168 M CB -0.551 32.041 32.600 -0.014 0.000 1.344 168 M HN 0.305 nan 8.290 nan 0.000 0.431 169 T N 0.176 114.721 114.554 -0.015 0.000 3.026 169 T HA -0.156 4.196 4.350 0.003 0.000 0.271 169 T C 1.564 176.257 174.700 -0.012 0.000 1.149 169 T CA 1.153 63.245 62.100 -0.013 0.000 1.088 169 T CB -0.326 68.533 68.868 -0.015 0.000 0.857 169 T HN 0.246 nan 8.240 nan 0.000 0.551 170 R N 0.765 121.259 120.500 -0.011 0.000 2.038 170 R HA 0.122 4.464 4.340 0.003 0.000 0.214 170 R C 2.299 178.594 176.300 -0.008 0.000 1.249 170 R CA 0.866 56.960 56.100 -0.010 0.000 1.025 170 R CB -0.484 29.810 30.300 -0.010 0.000 0.911 170 R HN 0.147 nan 8.270 nan 0.000 0.456 171 E N 1.295 121.490 120.200 -0.008 0.000 2.054 171 E HA -0.254 4.098 4.350 0.003 0.000 0.225 171 E C 0.647 177.243 176.600 -0.006 0.000 1.048 171 E CA 2.035 58.431 56.400 -0.006 0.000 0.899 171 E CB -0.385 29.312 29.700 -0.006 0.000 0.801 171 E HN 0.312 nan 8.360 nan 0.000 0.495 172 M N 0.968 120.564 119.600 -0.006 0.000 3.422 172 M HA 0.198 4.680 4.480 0.003 0.000 0.248 172 M C -0.559 175.737 176.300 -0.006 0.000 1.433 172 M CA 0.660 55.957 55.300 -0.005 0.000 1.592 172 M CB -0.649 31.948 32.600 -0.005 0.000 1.078 172 M HN 0.292 nan 8.290 nan 0.000 0.578 173 N N -0.070 118.627 118.700 -0.006 0.000 1.893 173 N HA 0.089 4.831 4.740 0.003 0.000 0.232 173 N C 0.278 175.785 175.510 -0.005 0.000 1.392 173 N CA 0.301 53.347 53.050 -0.006 0.000 0.801 173 N CB 0.852 39.334 38.487 -0.007 0.000 1.084 173 N HN 0.426 nan 8.380 nan 0.000 0.479 174 S N -0.359 115.338 115.700 -0.005 0.000 2.780 174 S HA 0.328 4.800 4.470 0.003 0.000 0.248 174 S C 0.940 175.538 174.600 -0.004 0.000 1.036 174 S CA -0.366 57.831 58.200 -0.004 0.000 1.061 174 S CB 0.041 63.238 63.200 -0.004 0.000 1.037 174 S HN 0.273 nan 8.310 nan 0.000 0.584 175 K N 1.350 121.748 120.400 -0.004 0.000 2.326 175 K HA -0.166 4.156 4.320 0.003 0.000 0.228 175 K C 1.566 178.164 176.600 -0.003 0.000 0.788 175 K CA 2.520 58.805 56.287 -0.003 0.000 0.984 175 K CB -0.736 31.762 32.500 -0.003 0.000 0.514 175 K HN 0.464 nan 8.250 nan 0.000 0.842 176 T N -0.576 113.976 114.554 -0.003 0.000 3.202 176 T HA -0.088 4.264 4.350 0.003 0.000 0.267 176 T C 0.518 175.216 174.700 -0.002 0.000 1.183 176 T CA 0.568 62.666 62.100 -0.002 0.000 1.055 176 T CB -0.331 68.536 68.868 -0.002 0.000 0.898 176 T HN 0.356 nan 8.240 nan 0.000 0.555 177 E N 0.400 120.599 120.200 -0.003 0.000 2.343 177 E HA 0.143 4.495 4.350 0.003 0.000 0.269 177 E C 1.043 177.641 176.600 -0.003 0.000 1.047 177 E CA -0.485 55.913 56.400 -0.003 0.000 0.874 177 E CB 0.711 30.409 29.700 -0.003 0.000 1.033 177 E HN 0.382 nan 8.360 nan 0.000 0.409 178 Q N 0.974 120.773 119.800 -0.002 0.000 2.050 178 Q HA -0.108 4.234 4.340 0.003 0.000 0.202 178 Q C 0.828 176.826 176.000 -0.002 0.000 0.980 178 Q CA 1.319 57.121 55.803 -0.002 0.000 0.840 178 Q CB -0.084 28.653 28.738 -0.002 0.000 0.898 178 Q HN 0.542 nan 8.270 nan 0.000 0.424 179 S N 0.923 116.622 115.700 -0.003 0.000 3.944 179 S HA 0.329 4.801 4.470 0.003 0.000 0.215 179 S C -0.208 174.390 174.600 -0.003 0.000 1.220 179 S CA -0.380 57.818 58.200 -0.003 0.000 0.950 179 S CB -0.985 62.213 63.200 -0.003 0.000 1.615 179 S HN 0.233 nan 8.310 nan 0.000 0.466 180 V N -2.065 117.847 119.914 -0.003 0.000 2.811 180 V HA 0.590 4.712 4.120 0.003 0.000 0.253 180 V C -0.490 175.602 176.094 -0.002 0.000 1.801 180 V CA -0.610 61.688 62.300 -0.003 0.000 0.886 180 V CB 0.543 32.364 31.823 -0.003 0.000 1.362 180 V HN 0.765 nan 8.190 nan 0.000 0.455 181 T N -0.320 114.233 114.554 -0.002 0.000 2.910 181 T HA 0.826 5.178 4.350 0.003 0.000 0.287 181 T C -2.262 172.437 174.700 -0.002 0.000 1.050 181 T CA -1.594 60.504 62.100 -0.002 0.000 1.011 181 T CB 2.324 71.191 68.868 -0.002 0.000 1.195 181 T HN 0.481 nan 8.240 nan 0.000 0.540 182 P HA -0.106 nan 4.420 nan 0.000 0.214 182 P C 1.600 178.899 177.300 -0.001 0.000 1.162 182 P CA 1.315 64.415 63.100 -0.001 0.000 0.879 182 P CB -0.052 31.647 31.700 -0.001 0.000 0.786 183 E N 0.011 120.210 120.200 -0.001 0.000 2.160 183 E HA -0.273 4.079 4.350 0.003 0.000 0.195 183 E C 2.071 178.670 176.600 -0.002 0.000 0.991 183 E CA 1.046 57.445 56.400 -0.001 0.000 0.810 183 E CB -0.795 28.904 29.700 -0.001 0.000 0.742 183 E HN 0.258 nan 8.360 nan 0.000 0.466 184 Q N -0.093 119.706 119.800 -0.002 0.000 2.297 184 Q HA -0.056 4.286 4.340 0.003 0.000 0.203 184 Q C 2.200 178.199 176.000 -0.003 0.000 0.931 184 Q CA 0.337 56.139 55.803 -0.002 0.000 0.885 184 Q CB 0.290 29.026 28.738 -0.002 0.000 0.991 184 Q HN 0.301 nan 8.270 nan 0.000 0.498 185 Q N 1.163 120.961 119.800 -0.002 0.000 2.084 185 Q HA -0.173 4.169 4.340 0.003 0.000 0.202 185 Q C 1.928 177.927 176.000 -0.002 0.000 0.978 185 Q CA 1.861 57.662 55.803 -0.002 0.000 0.844 185 Q CB -0.013 28.724 28.738 -0.002 0.000 0.898 185 Q HN 0.349 nan 8.270 nan 0.000 0.426 186 K N 0.493 120.892 120.400 -0.002 0.000 2.280 186 K HA -0.109 4.213 4.320 0.003 0.000 0.202 186 K C 1.677 178.276 176.600 -0.002 0.000 1.047 186 K CA 1.333 57.619 56.287 -0.001 0.000 0.942 186 K CB -0.111 32.388 32.500 -0.001 0.000 0.739 186 K HN 0.005 nan 8.250 nan 0.000 0.457 187 K N 0.533 120.932 120.400 -0.002 0.000 2.103 187 K HA 0.089 4.411 4.320 0.003 0.000 0.204 187 K C 1.956 178.554 176.600 -0.003 0.000 1.052 187 K CA 1.126 57.412 56.287 -0.002 0.000 0.945 187 K CB -0.163 32.336 32.500 -0.002 0.000 0.722 187 K HN 0.117 nan 8.250 nan 0.000 0.443 188 L N 0.645 121.866 121.223 -0.003 0.000 2.141 188 L HA -0.146 4.196 4.340 0.003 0.000 0.209 188 L C 2.175 179.043 176.870 -0.004 0.000 1.094 188 L CA 0.679 55.516 54.840 -0.004 0.000 0.763 188 L CB -0.286 41.770 42.059 -0.005 0.000 0.908 188 L HN -0.015 nan 8.230 nan 0.000 0.437 189 V N -0.611 119.302 119.914 -0.003 0.000 2.453 189 V HA -0.217 3.905 4.120 0.003 0.000 0.247 189 V C 1.960 178.053 176.094 -0.002 0.000 1.048 189 V CA 1.561 63.860 62.300 -0.002 0.000 1.049 189 V CB -0.428 31.394 31.823 -0.001 0.000 0.672 189 V HN 0.394 nan 8.190 nan 0.000 0.457 190 D N 0.048 120.447 120.400 -0.001 0.000 2.218 190 D HA -0.159 4.483 4.640 0.003 0.000 0.204 190 D C 2.065 178.365 176.300 -0.001 0.000 0.976 190 D CA 1.144 55.143 54.000 -0.001 0.000 0.853 190 D CB -0.054 40.746 40.800 -0.001 0.000 0.939 190 D HN 0.347 nan 8.370 nan 0.000 0.481 191 K N 1.194 121.592 120.400 -0.003 0.000 1.973 191 K HA -0.124 4.198 4.320 0.003 0.000 0.210 191 K C 2.060 178.658 176.600 -0.004 0.000 1.045 191 K CA 1.529 57.813 56.287 -0.004 0.000 0.937 191 K CB -0.655 31.842 32.500 -0.005 0.000 0.721 191 K HN 0.083 nan 8.250 nan 0.000 0.438 192 V N -0.574 119.337 119.914 -0.005 0.000 2.688 192 V HA -0.196 3.926 4.120 0.003 0.000 0.256 192 V C 1.955 178.047 176.094 -0.002 0.000 1.084 192 V CA 2.391 64.688 62.300 -0.006 0.000 1.103 192 V CB -0.566 31.253 31.823 -0.006 0.000 0.688 192 V HN 0.360 nan 8.190 nan 0.000 0.480 193 D N 0.098 120.498 120.400 -0.000 0.000 2.194 193 D HA -0.119 4.523 4.640 0.003 0.000 0.204 193 D C 2.095 178.397 176.300 0.004 0.000 0.964 193 D CA 0.957 54.959 54.000 0.002 0.000 0.846 193 D CB 0.061 40.863 40.800 0.002 0.000 0.962 193 D HN 0.466 nan 8.370 nan 0.000 0.490 194 K N 0.359 120.760 120.400 0.002 0.000 2.186 194 K HA -0.012 4.310 4.320 0.003 0.000 0.202 194 K C 2.098 178.700 176.600 0.004 0.000 1.052 194 K CA 0.180 56.469 56.287 0.004 0.000 0.965 194 K CB -0.187 32.314 32.500 0.002 0.000 0.746 194 K HN 0.177 nan 8.250 nan 0.000 0.457 195 C N 0.472 119.772 119.300 0.000 0.000 2.425 195 C HA -0.019 4.442 4.460 0.003 0.000 0.277 195 C C 2.767 177.760 174.990 0.005 0.000 1.280 195 C CA 0.588 59.604 59.018 -0.003 0.000 1.744 195 C CB -0.833 26.900 27.740 -0.011 0.000 1.989 195 C HN 0.518 nan 8.230 nan 0.000 0.491 196 R N 0.719 121.223 120.500 0.008 0.000 2.091 196 R HA -0.197 4.144 4.340 0.003 0.000 0.238 196 R C 2.236 178.552 176.300 0.027 0.000 1.136 196 R CA 1.740 57.850 56.100 0.016 0.000 0.959 196 R CB -0.186 30.122 30.300 0.014 0.000 0.856 196 R HN 0.636 nan 8.270 nan 0.000 0.437 197 Q N -0.117 119.697 119.800 0.023 0.000 2.046 197 Q HA -0.142 4.200 4.340 0.003 0.000 0.200 197 Q C 1.696 177.718 176.000 0.037 0.000 0.975 197 Q CA 1.666 57.485 55.803 0.028 0.000 0.836 197 Q CB -0.067 28.683 28.738 0.020 0.000 0.896 197 Q HN 0.318 nan 8.270 nan 0.000 0.428 198 D N 0.164 120.582 120.400 0.030 0.000 2.127 198 D HA -0.190 4.452 4.640 0.003 0.000 0.190 198 D C 1.881 178.220 176.300 0.066 0.000 1.000 198 D CA 1.358 55.380 54.000 0.036 0.000 0.839 198 D CB -0.343 40.468 40.800 0.017 0.000 0.955 198 D HN -0.007 nan 8.370 nan 0.000 0.446 199 V N 0.229 120.180 119.914 0.062 0.000 2.278 199 V HA -0.314 3.808 4.120 0.003 0.000 0.251 199 V C 2.466 178.670 176.094 0.183 0.000 1.062 199 V CA 2.257 64.625 62.300 0.113 0.000 1.038 199 V CB -0.567 31.299 31.823 0.072 0.000 0.646 199 V HN 0.310 nan 8.190 nan 0.000 0.447 200 Q N -0.004 119.865 119.800 0.115 0.000 2.049 200 Q HA -0.236 4.106 4.340 0.003 0.000 0.198 200 Q C 2.419 178.471 176.000 0.086 0.000 0.971 200 Q CA 1.973 57.835 55.803 0.097 0.000 0.833 200 Q CB -0.212 28.563 28.738 0.061 0.000 0.896 200 Q HN 0.610 nan 8.270 nan 0.000 0.434 201 K N -0.288 120.156 120.400 0.074 0.000 2.148 201 K HA -0.116 4.206 4.320 0.003 0.000 0.204 201 K C 1.916 178.560 176.600 0.074 0.000 1.050 201 K CA 1.701 58.023 56.287 0.058 0.000 0.942 201 K CB -0.089 32.437 32.500 0.044 0.000 0.724 201 K HN 0.397 nan 8.250 nan 0.000 0.446 202 T N -1.960 112.662 114.554 0.114 0.000 3.081 202 T HA -0.049 4.302 4.350 0.003 0.000 0.255 202 T C 1.777 176.588 174.700 0.186 0.000 1.113 202 T CA 0.454 62.639 62.100 0.143 0.000 1.082 202 T CB 0.252 69.217 68.868 0.161 0.000 0.939 202 T HN 0.338 nan 8.240 nan 0.000 0.506 203 Q N 0.973 120.881 119.800 0.180 0.000 2.137 203 Q HA -0.072 4.270 4.340 0.003 0.000 0.198 203 Q C 2.321 178.308 176.000 -0.023 0.000 0.960 203 Q CA 1.369 57.173 55.803 0.003 0.000 0.847 203 Q CB -0.142 28.631 28.738 0.058 0.000 0.915 203 Q HN 0.799 nan 8.270 nan 0.000 0.448 204 E N 0.258 120.468 120.200 0.017 0.000 2.106 204 E HA -0.241 4.111 4.350 0.003 0.000 0.192 204 E C 1.889 178.487 176.600 -0.004 0.000 0.984 204 E CA 1.241 57.637 56.400 -0.006 0.000 0.806 204 E CB 0.036 29.741 29.700 0.008 0.000 0.750 204 E HN 0.107 nan 8.360 nan 0.000 0.458 205 K N 0.420 120.837 120.400 0.029 0.000 2.001 205 K HA -0.218 4.103 4.320 0.003 0.000 0.208 205 K C 2.056 178.690 176.600 0.057 0.000 1.048 205 K CA 1.821 58.130 56.287 0.035 0.000 0.932 205 K CB -0.979 31.550 32.500 0.047 0.000 0.715 205 K HN 0.390 nan 8.250 nan 0.000 0.437 206 Y N 1.223 121.468 120.300 -0.091 0.000 2.114 206 Y HA -0.300 4.252 4.550 0.003 0.000 0.282 206 Y C 1.797 177.617 175.900 -0.133 0.000 1.165 206 Y CA 2.047 60.069 58.100 -0.130 0.000 1.148 206 Y CB 0.055 38.384 38.460 -0.217 0.000 0.972 206 Y HN 0.279 nan 8.280 nan 0.000 0.504 207 E N 0.208 120.278 120.200 -0.217 0.000 2.118 207 E HA -0.230 4.122 4.350 0.003 0.000 0.195 207 E C 2.120 178.619 176.600 -0.168 0.000 0.992 207 E CA 1.388 57.624 56.400 -0.274 0.000 0.804 207 E CB -0.078 29.511 29.700 -0.185 0.000 0.741 207 E HN 0.503 nan 8.360 nan 0.000 0.458 208 K N 0.380 120.725 120.400 -0.092 0.000 2.001 208 K HA -0.115 4.207 4.320 0.003 0.000 0.208 208 K C 2.247 178.808 176.600 -0.065 0.000 1.048 208 K CA 1.198 57.448 56.287 -0.062 0.000 0.932 208 K CB -0.199 32.281 32.500 -0.033 0.000 0.715 208 K HN -0.019 nan 8.250 nan 0.000 0.437 209 V N 1.913 121.795 119.914 -0.054 0.000 2.282 209 V HA -0.270 3.852 4.120 0.003 0.000 0.249 209 V C 2.300 178.340 176.094 -0.090 0.000 1.057 209 V CA 1.432 63.698 62.300 -0.056 0.000 1.032 209 V CB -0.450 31.359 31.823 -0.023 0.000 0.645 209 V HN 0.254 nan 8.190 nan 0.000 0.447 210 L N 0.101 121.244 121.223 -0.134 0.000 2.021 210 L HA -0.261 4.081 4.340 0.003 0.000 0.215 210 L C 2.512 179.317 176.870 -0.108 0.000 1.074 210 L CA 2.344 57.086 54.840 -0.164 0.000 0.760 210 L CB -1.008 40.881 42.059 -0.283 0.000 0.889 210 L HN 0.484 nan 8.230 nan 0.000 0.433 211 E N -0.925 119.218 120.200 -0.095 0.000 2.077 211 E HA -0.235 4.117 4.350 0.003 0.000 0.193 211 E C 1.607 178.187 176.600 -0.034 0.000 0.989 211 E CA 1.454 57.819 56.400 -0.060 0.000 0.800 211 E CB 0.083 29.750 29.700 -0.055 0.000 0.746 211 E HN 0.547 nan 8.360 nan 0.000 0.452 212 D N -0.054 120.323 120.400 -0.038 0.000 2.144 212 D HA -0.121 4.521 4.640 0.003 0.000 0.200 212 D C 2.028 178.324 176.300 -0.007 0.000 0.978 212 D CA 0.535 54.524 54.000 -0.019 0.000 0.833 212 D CB -0.297 40.486 40.800 -0.028 0.000 0.961 212 D HN 0.089 nan 8.370 nan 0.000 0.470 213 V N 1.118 121.006 119.914 -0.043 0.000 2.295 213 V HA -0.152 3.969 4.120 0.003 0.000 0.246 213 V C 2.513 178.663 176.094 0.094 0.000 1.049 213 V CA 2.180 64.451 62.300 -0.050 0.000 1.024 213 V CB -0.958 30.770 31.823 -0.159 0.000 0.648 213 V HN 0.302 nan 8.190 nan 0.000 0.447 214 G N 0.145 108.978 108.800 0.054 0.000 2.432 214 G HA2 -0.297 3.665 3.960 0.003 0.000 0.219 214 G HA3 -0.297 3.665 3.960 0.003 0.000 0.219 214 G C 1.537 176.482 174.900 0.075 0.000 1.135 214 G CA 1.041 46.185 45.100 0.073 0.000 0.767 214 G HN 0.625 nan 8.290 nan 0.000 0.550 215 K N 0.583 121.017 120.400 0.056 0.000 2.366 215 K HA -0.008 4.314 4.320 0.003 0.000 0.198 215 K C 1.859 178.506 176.600 0.079 0.000 1.044 215 K CA 1.717 58.033 56.287 0.050 0.000 0.973 215 K CB -0.170 32.347 32.500 0.029 0.000 0.767 215 K HN 0.325 nan 8.250 nan 0.000 0.475 216 T N -2.549 112.082 114.554 0.129 0.000 3.044 216 T HA 0.030 4.382 4.350 0.003 0.000 0.260 216 T C 1.679 176.530 174.700 0.251 0.000 1.019 216 T CA 0.310 62.514 62.100 0.173 0.000 0.921 216 T CB 0.185 69.166 68.868 0.188 0.000 1.053 216 T HN 0.305 nan 8.240 nan 0.000 0.533 217 T N 0.609 115.321 114.554 0.263 0.000 2.759 217 T HA -0.030 4.322 4.350 0.003 0.000 0.269 217 T C -0.644 174.071 174.700 0.026 0.000 1.042 217 T CA 1.029 63.241 62.100 0.187 0.000 1.140 217 T CB -1.823 67.119 68.868 0.123 0.000 0.864 217 T HN 0.300 nan 8.240 nan 0.000 0.455 218 P HA -0.102 nan 4.420 nan 0.000 0.213 218 P C 1.851 179.165 177.300 0.023 0.000 1.170 218 P CA 1.411 64.504 63.100 -0.012 0.000 0.902 218 P CB -0.221 31.483 31.700 0.007 0.000 0.789 219 Q N -2.065 117.782 119.800 0.078 0.000 2.112 219 Q HA -0.256 4.086 4.340 0.003 0.000 0.206 219 Q C 2.209 178.296 176.000 0.145 0.000 0.987 219 Q CA 1.641 57.507 55.803 0.104 0.000 0.858 219 Q CB -0.898 27.916 28.738 0.126 0.000 0.905 219 Q HN 0.295 nan 8.270 nan 0.000 0.420 220 Y N 0.576 120.884 120.300 0.013 0.000 2.145 220 Y HA -0.217 4.334 4.550 0.003 0.000 0.286 220 Y C 1.838 177.747 175.900 0.014 0.000 1.145 220 Y CA 1.640 59.718 58.100 -0.037 0.000 1.148 220 Y CB -0.247 38.031 38.460 -0.304 0.000 0.981 220 Y HN 0.052 nan 8.280 nan 0.000 0.507 221 M N 0.033 119.491 119.600 -0.237 0.000 2.064 221 M HA -0.209 4.273 4.480 0.003 0.000 0.260 221 M C 2.284 178.602 176.300 0.031 0.000 1.073 221 M CA 2.162 57.374 55.300 -0.147 0.000 1.124 221 M CB -0.684 31.752 32.600 -0.274 0.000 1.326 221 M HN 0.262 nan 8.290 nan 0.000 0.410 222 E N 0.211 120.421 120.200 0.017 0.000 2.136 222 E HA -0.253 4.099 4.350 0.003 0.000 0.208 222 E C 1.925 178.559 176.600 0.057 0.000 1.035 222 E CA 1.730 58.156 56.400 0.042 0.000 0.838 222 E CB -0.250 29.472 29.700 0.036 0.000 0.748 222 E HN 0.601 nan 8.360 nan 0.000 0.459 223 G N 0.057 108.894 108.800 0.062 0.000 2.396 223 G HA2 -0.191 3.771 3.960 0.003 0.000 0.214 223 G HA3 -0.191 3.771 3.960 0.003 0.000 0.214 223 G C 1.474 176.420 174.900 0.077 0.000 1.166 223 G CA 0.618 45.760 45.100 0.071 0.000 0.793 223 G HN 0.134 nan 8.290 nan 0.000 0.533 224 M N 0.439 120.088 119.600 0.082 0.000 2.229 224 M HA 0.015 4.497 4.480 0.003 0.000 0.264 224 M C 2.246 178.677 176.300 0.219 0.000 1.063 224 M CA 1.026 56.421 55.300 0.159 0.000 1.114 224 M CB -0.618 32.005 32.600 0.037 0.000 1.387 224 M HN 0.260 nan 8.290 nan 0.000 0.420 225 E N 0.677 120.968 120.200 0.153 0.000 2.077 225 E HA -0.178 4.174 4.350 0.003 0.000 0.193 225 E C 1.961 178.658 176.600 0.161 0.000 0.989 225 E CA 1.496 57.992 56.400 0.160 0.000 0.800 225 E CB -0.053 29.720 29.700 0.121 0.000 0.746 225 E HN 0.516 nan 8.360 nan 0.000 0.452 226 Q N -0.483 119.367 119.800 0.085 0.000 2.077 226 Q HA -0.170 4.172 4.340 0.003 0.000 0.206 226 Q C 2.280 178.271 176.000 -0.016 0.000 0.989 226 Q CA 1.887 57.709 55.803 0.031 0.000 0.853 226 Q CB -0.170 28.569 28.738 0.002 0.000 0.907 226 Q HN 0.222 nan 8.270 nan 0.000 0.418 227 V N 0.407 120.271 119.914 -0.083 0.000 2.407 227 V HA -0.238 3.884 4.120 0.003 0.000 0.248 227 V C 1.874 177.844 176.094 -0.206 0.000 1.055 227 V CA 1.743 63.855 62.300 -0.312 0.000 1.049 227 V CB -0.590 30.775 31.823 -0.763 0.000 0.662 227 V HN 0.321 nan 8.190 nan 0.000 0.455 228 F N 1.388 121.299 119.950 -0.066 0.000 2.146 228 F HA -0.185 4.343 4.527 0.003 0.000 0.298 228 F C 2.464 178.285 175.800 0.034 0.000 1.096 228 F CA 2.060 60.127 58.000 0.112 0.000 1.275 228 F CB -0.012 39.084 39.000 0.160 0.000 1.008 228 F HN 0.186 nan 8.300 nan 0.000 0.480 229 E N 0.570 120.803 120.200 0.056 0.000 2.110 229 E HA -0.251 4.101 4.350 0.003 0.000 0.193 229 E C 2.053 178.594 176.600 -0.097 0.000 0.988 229 E CA 1.739 58.116 56.400 -0.038 0.000 0.804 229 E CB -0.384 29.340 29.700 0.039 0.000 0.745 229 E HN 0.580 nan 8.360 nan 0.000 0.458 230 Q N -0.952 118.795 119.800 -0.088 0.000 2.119 230 Q HA -0.112 4.230 4.340 0.003 0.000 0.201 230 Q C 2.364 178.321 176.000 -0.073 0.000 0.972 230 Q CA 1.588 57.343 55.803 -0.078 0.000 0.847 230 Q CB -0.155 28.521 28.738 -0.103 0.000 0.903 230 Q HN 0.398 nan 8.270 nan 0.000 0.433 231 C N 0.461 119.682 119.300 -0.132 0.000 2.440 231 C HA -0.086 4.376 4.460 0.003 0.000 0.278 231 C C 2.550 177.473 174.990 -0.113 0.000 1.295 231 C CA 0.303 59.265 59.018 -0.093 0.000 1.738 231 C CB -0.601 27.088 27.740 -0.084 0.000 1.987 231 C HN 0.517 nan 8.230 nan 0.000 0.492 232 Q N 0.573 120.193 119.800 -0.301 0.000 2.050 232 Q HA -0.166 4.176 4.340 0.003 0.000 0.202 232 Q C 2.370 178.321 176.000 -0.083 0.000 0.980 232 Q CA 1.416 57.065 55.803 -0.257 0.000 0.840 232 Q CB -0.558 27.977 28.738 -0.339 0.000 0.898 232 Q HN 0.706 nan 8.270 nan 0.000 0.424 233 Q N -0.423 119.348 119.800 -0.048 0.000 2.096 233 Q HA -0.152 4.190 4.340 0.003 0.000 0.204 233 Q C 1.973 178.002 176.000 0.048 0.000 0.982 233 Q CA 1.060 56.864 55.803 0.002 0.000 0.850 233 Q CB -0.409 28.334 28.738 0.010 0.000 0.901 233 Q HN 0.340 nan 8.270 nan 0.000 0.422 234 F N 1.959 121.873 119.950 -0.061 0.000 2.113 234 F HA -0.215 4.314 4.527 0.003 0.000 0.297 234 F C 2.438 178.246 175.800 0.013 0.000 1.103 234 F CA 1.761 59.739 58.000 -0.037 0.000 1.248 234 F CB 0.024 38.982 39.000 -0.069 0.000 0.999 234 F HN 0.037 nan 8.300 nan 0.000 0.475 235 E N 0.764 121.026 120.200 0.103 0.000 2.160 235 E HA -0.284 4.068 4.350 0.003 0.000 0.195 235 E C 2.029 178.607 176.600 -0.036 0.000 0.991 235 E CA 1.827 58.251 56.400 0.040 0.000 0.810 235 E CB -0.431 29.307 29.700 0.064 0.000 0.742 235 E HN 0.665 nan 8.360 nan 0.000 0.466 236 E N 0.337 120.513 120.200 -0.041 0.000 2.028 236 E HA -0.246 4.106 4.350 0.003 0.000 0.191 236 E C 2.052 178.620 176.600 -0.052 0.000 0.988 236 E CA 1.239 57.616 56.400 -0.039 0.000 0.799 236 E CB -0.195 29.488 29.700 -0.028 0.000 0.755 236 E HN 0.194 nan 8.360 nan 0.000 0.447 237 K N 0.812 121.172 120.400 -0.068 0.000 2.077 237 K HA -0.307 4.015 4.320 0.003 0.000 0.213 237 K C 2.410 178.992 176.600 -0.029 0.000 1.051 237 K CA 2.099 58.362 56.287 -0.039 0.000 0.929 237 K CB -0.243 32.208 32.500 -0.080 0.000 0.715 237 K HN 0.042 nan 8.250 nan 0.000 0.451 238 R N 0.619 121.068 120.500 -0.086 0.000 2.070 238 R HA -0.117 4.224 4.340 0.003 0.000 0.233 238 R C 2.482 178.696 176.300 -0.143 0.000 1.137 238 R CA 1.617 57.621 56.100 -0.161 0.000 0.945 238 R CB -0.395 29.878 30.300 -0.046 0.000 0.845 238 R HN 0.234 nan 8.270 nan 0.000 0.430 239 L N 0.510 121.686 121.223 -0.079 0.000 2.043 239 L HA -0.205 4.136 4.340 0.003 0.000 0.212 239 L C 2.557 179.379 176.870 -0.080 0.000 1.075 239 L CA 1.141 55.941 54.840 -0.068 0.000 0.752 239 L CB -0.433 41.600 42.059 -0.042 0.000 0.891 239 L HN 0.130 nan 8.230 nan 0.000 0.432 240 V N -0.416 119.461 119.914 -0.061 0.000 2.295 240 V HA -0.331 3.791 4.120 0.003 0.000 0.246 240 V C 2.212 178.258 176.094 -0.081 0.000 1.049 240 V CA 2.146 64.413 62.300 -0.056 0.000 1.024 240 V CB -0.494 31.316 31.823 -0.022 0.000 0.648 240 V HN 0.417 nan 8.190 nan 0.000 0.447 241 F N -0.523 119.262 119.950 -0.274 0.000 2.171 241 F HA -0.154 4.375 4.527 0.003 0.000 0.300 241 F C 2.145 177.729 175.800 -0.359 0.000 1.090 241 F CA 1.433 59.205 58.000 -0.381 0.000 1.293 241 F CB -0.153 38.395 39.000 -0.754 0.000 1.013 241 F HN 0.021 nan 8.300 nan 0.000 0.486 242 L N 1.143 122.181 121.223 -0.309 0.000 2.012 242 L HA -0.240 4.102 4.340 0.003 0.000 0.210 242 L C 2.416 179.111 176.870 -0.291 0.000 1.073 242 L CA 2.028 56.683 54.840 -0.309 0.000 0.748 242 L CB -1.177 40.786 42.059 -0.160 0.000 0.891 242 L HN 0.281 nan 8.230 nan 0.000 0.431 243 K N -0.138 120.132 120.400 -0.217 0.000 2.097 243 K HA -0.254 4.068 4.320 0.003 0.000 0.206 243 K C 1.943 178.414 176.600 -0.214 0.000 1.049 243 K CA 1.685 57.868 56.287 -0.173 0.000 0.933 243 K CB 0.083 32.510 32.500 -0.122 0.000 0.717 243 K HN 0.354 nan 8.250 nan 0.000 0.442 244 E N 0.026 120.058 120.200 -0.280 0.000 2.051 244 E HA -0.157 4.195 4.350 0.003 0.000 0.192 244 E C 1.702 178.096 176.600 -0.343 0.000 0.991 244 E CA 1.444 57.669 56.400 -0.292 0.000 0.799 244 E CB 0.052 29.562 29.700 -0.316 0.000 0.748 244 E HN 0.088 nan 8.360 nan 0.000 0.449 245 V N 0.814 120.422 119.914 -0.511 0.000 2.626 245 V HA -0.192 3.930 4.120 0.003 0.000 0.252 245 V C 2.182 178.127 176.094 -0.249 0.000 1.067 245 V CA 0.915 62.959 62.300 -0.427 0.000 1.081 245 V CB -0.350 31.132 31.823 -0.569 0.000 0.686 245 V HN 0.314 nan 8.190 nan 0.000 0.468 246 L N -0.797 120.292 121.223 -0.223 0.000 2.109 246 L HA -0.048 4.294 4.340 0.003 0.000 0.207 246 L C 2.172 178.959 176.870 -0.138 0.000 1.086 246 L CA 1.614 56.363 54.840 -0.151 0.000 0.760 246 L CB -0.854 41.126 42.059 -0.131 0.000 0.910 246 L HN 0.204 nan 8.230 nan 0.000 0.437 247 L N -0.811 120.319 121.223 -0.155 0.000 2.156 247 L HA -0.154 4.188 4.340 0.003 0.000 0.208 247 L C 2.179 178.942 176.870 -0.180 0.000 1.095 247 L CA 1.288 56.041 54.840 -0.146 0.000 0.770 247 L CB -1.345 40.632 42.059 -0.136 0.000 0.914 247 L HN 0.267 nan 8.230 nan 0.000 0.439 248 D N 0.177 120.460 120.400 -0.195 0.000 2.092 248 D HA -0.178 4.464 4.640 0.003 0.000 0.193 248 D C 2.378 178.510 176.300 -0.280 0.000 0.994 248 D CA 1.181 55.032 54.000 -0.248 0.000 0.828 248 D CB 0.003 40.720 40.800 -0.138 0.000 0.963 248 D HN 0.260 nan 8.370 nan 0.000 0.450 249 I N 0.897 121.402 120.570 -0.108 0.000 2.163 249 I HA -0.255 3.917 4.170 0.003 0.000 0.243 249 I C 2.518 178.599 176.117 -0.061 0.000 1.085 249 I CA 1.054 62.344 61.300 -0.015 0.000 1.347 249 I CB -0.232 37.758 38.000 -0.017 0.000 1.044 249 I HN -0.016 nan 8.210 nan 0.000 0.408 250 K N 1.316 121.657 120.400 -0.099 0.000 2.032 250 K HA -0.234 4.088 4.320 0.003 0.000 0.209 250 K C 2.309 178.841 176.600 -0.115 0.000 1.048 250 K CA 1.645 57.877 56.287 -0.091 0.000 0.927 250 K CB -0.122 32.322 32.500 -0.094 0.000 0.712 250 K HN 0.217 nan 8.250 nan 0.000 0.441 251 R N -0.555 119.829 120.500 -0.194 0.000 2.096 251 R HA -0.167 4.175 4.340 0.003 0.000 0.240 251 R C 2.280 178.480 176.300 -0.166 0.000 1.139 251 R CA 2.205 58.171 56.100 -0.223 0.000 0.952 251 R CB -0.392 29.704 30.300 -0.340 0.000 0.854 251 R HN 0.514 nan 8.270 nan 0.000 0.436 252 H N -0.446 118.598 119.070 -0.043 0.000 2.428 252 H HA -0.015 4.543 4.556 0.003 0.000 0.296 252 H C 1.987 177.290 175.328 -0.042 0.000 1.062 252 H CA 0.798 56.824 56.048 -0.037 0.000 1.350 252 H CB 0.139 29.883 29.762 -0.029 0.000 1.403 252 H HN 0.119 nan 8.280 nan 0.000 0.533 253 L N 0.392 121.650 121.223 0.058 0.000 2.156 253 L HA -0.083 4.259 4.340 0.003 0.000 0.208 253 L C 0.849 177.699 176.870 -0.033 0.000 1.095 253 L CA 0.189 55.038 54.840 0.015 0.000 0.770 253 L CB -0.116 41.944 42.059 0.002 0.000 0.914 253 L HN 0.246 nan 8.230 nan 0.000 0.439 254 N N 0.852 119.522 118.700 -0.050 0.000 2.402 254 N HA 0.053 4.795 4.740 0.003 0.000 0.259 254 N C 0.496 175.943 175.510 -0.105 0.000 1.167 254 N CA 0.299 53.301 53.050 -0.081 0.000 0.949 254 N CB 0.664 39.105 38.487 -0.077 0.000 1.212 254 N HN 0.152 nan 8.380 nan 0.000 0.493 255 L N 2.222 123.341 121.223 -0.174 0.000 2.529 255 L HA 0.183 4.524 4.340 0.003 0.000 0.223 255 L C 2.044 178.702 176.870 -0.354 0.000 1.113 255 L CA 0.150 54.837 54.840 -0.255 0.000 0.861 255 L CB -0.203 41.632 42.059 -0.374 0.000 1.012 255 L HN 0.517 nan 8.230 nan 0.000 0.461 256 A N 1.445 124.096 122.820 -0.282 0.000 1.908 256 A HA -0.202 4.120 4.320 0.003 0.000 0.218 256 A C 1.775 179.297 177.584 -0.105 0.000 1.181 256 A CA 1.857 53.757 52.037 -0.227 0.000 0.627 256 A CB -0.307 18.607 19.000 -0.143 0.000 0.818 256 A HN 0.616 nan 8.150 nan 0.000 0.445 257 E N -0.473 119.685 120.200 -0.069 0.000 2.609 257 E HA 0.115 4.467 4.350 0.003 0.000 0.208 257 E C -0.223 176.380 176.600 0.006 0.000 1.013 257 E CA -0.681 55.710 56.400 -0.016 0.000 1.093 257 E CB -0.290 29.398 29.700 -0.021 0.000 1.129 257 E HN 0.398 nan 8.360 nan 0.000 0.450 258 N N 1.964 120.674 118.700 0.016 0.000 2.444 258 N HA -0.032 4.709 4.740 0.003 0.000 0.271 258 N C 0.975 176.554 175.510 0.116 0.000 1.069 258 N CA 0.325 53.408 53.050 0.054 0.000 0.965 258 N CB 1.797 40.314 38.487 0.051 0.000 1.092 258 N HN 0.201 nan 8.380 nan 0.000 0.476 259 S N 2.326 118.077 115.700 0.085 0.000 2.423 259 S HA -0.098 4.374 4.470 0.003 0.000 0.231 259 S C 1.624 176.300 174.600 0.127 0.000 1.014 259 S CA 0.996 59.251 58.200 0.091 0.000 0.965 259 S CB -0.136 63.088 63.200 0.041 0.000 0.785 259 S HN 0.504 nan 8.310 nan 0.000 0.495 260 S N 0.354 116.129 115.700 0.125 0.000 2.402 260 S HA 0.025 4.497 4.470 0.003 0.000 0.229 260 S C 1.401 176.121 174.600 0.200 0.000 1.021 260 S CA 0.945 59.232 58.200 0.145 0.000 0.974 260 S CB -0.565 62.697 63.200 0.103 0.000 0.800 260 S HN 0.715 nan 8.310 nan 0.000 0.484 261 Y N 1.434 121.800 120.300 0.110 0.000 2.200 261 Y HA -0.036 4.516 4.550 0.003 0.000 0.290 261 Y C 2.319 178.350 175.900 0.217 0.000 1.137 261 Y CA 1.344 59.536 58.100 0.154 0.000 1.163 261 Y CB -0.175 38.351 38.460 0.109 0.000 0.988 261 Y HN 0.115 nan 8.280 nan 0.000 0.518 262 M N -0.737 119.044 119.600 0.302 0.000 2.159 262 M HA -0.233 4.249 4.480 0.003 0.000 0.263 262 M C 2.035 178.440 176.300 0.174 0.000 1.063 262 M CA 1.818 57.250 55.300 0.219 0.000 1.110 262 M CB -1.093 31.619 32.600 0.186 0.000 1.374 262 M HN 0.448 nan 8.290 nan 0.000 0.411 263 H N -0.176 118.929 119.070 0.058 0.000 2.357 263 H HA -0.044 4.514 4.556 0.003 0.000 0.301 263 H C 1.889 177.196 175.328 -0.035 0.000 1.082 263 H CA 1.661 57.718 56.048 0.016 0.000 1.342 263 H CB -0.115 29.654 29.762 0.011 0.000 1.389 263 H HN 0.080 nan 8.280 nan 0.000 0.511 264 V N -0.015 119.841 119.914 -0.096 0.000 2.324 264 V HA -0.318 3.804 4.120 0.003 0.000 0.250 264 V C 1.791 177.621 176.094 -0.439 0.000 1.060 264 V CA 2.164 64.273 62.300 -0.317 0.000 1.042 264 V CB -0.719 30.852 31.823 -0.421 0.000 0.650 264 V HN 0.514 nan 8.190 nan 0.000 0.450 265 Y N -0.642 119.541 120.300 -0.195 0.000 2.490 265 Y HA 0.076 4.627 4.550 0.003 0.000 0.285 265 Y C 2.577 178.409 175.900 -0.113 0.000 1.117 265 Y CA 0.316 58.328 58.100 -0.147 0.000 1.262 265 Y CB -0.160 38.214 38.460 -0.145 0.000 1.043 265 Y HN 0.060 nan 8.280 nan 0.000 0.553 266 R N 0.504 120.998 120.500 -0.010 0.000 2.073 266 R HA -0.207 4.135 4.340 0.003 0.000 0.234 266 R C 2.015 178.241 176.300 -0.123 0.000 1.134 266 R CA 1.652 57.724 56.100 -0.047 0.000 0.952 266 R CB -0.554 29.722 30.300 -0.041 0.000 0.850 266 R HN 0.461 nan 8.270 nan 0.000 0.433 267 E N 1.006 121.050 120.200 -0.260 0.000 2.077 267 E HA -0.154 4.197 4.350 0.003 0.000 0.193 267 E C 2.139 178.643 176.600 -0.160 0.000 0.989 267 E CA 0.738 56.982 56.400 -0.260 0.000 0.800 267 E CB -0.028 29.445 29.700 -0.378 0.000 0.746 267 E HN 0.205 nan 8.360 nan 0.000 0.452 268 L N 0.873 121.996 121.223 -0.167 0.000 2.017 268 L HA -0.215 4.127 4.340 0.003 0.000 0.208 268 L C 2.557 179.398 176.870 -0.048 0.000 1.073 268 L CA 1.877 56.649 54.840 -0.113 0.000 0.745 268 L CB -0.349 41.623 42.059 -0.145 0.000 0.894 268 L HN 0.304 nan 8.230 nan 0.000 0.432 269 E N -0.715 119.470 120.200 -0.025 0.000 2.106 269 E HA -0.275 4.076 4.350 0.003 0.000 0.192 269 E C 2.101 178.690 176.600 -0.018 0.000 0.984 269 E CA 1.129 57.526 56.400 -0.004 0.000 0.806 269 E CB 0.062 29.770 29.700 0.014 0.000 0.750 269 E HN 0.566 nan 8.360 nan 0.000 0.458 270 Q N -0.011 119.769 119.800 -0.033 0.000 2.020 270 Q HA -0.186 4.156 4.340 0.003 0.000 0.202 270 Q C 2.248 178.229 176.000 -0.031 0.000 0.982 270 Q CA 1.574 57.358 55.803 -0.031 0.000 0.838 270 Q CB -0.225 28.489 28.738 -0.041 0.000 0.899 270 Q HN 0.351 nan 8.270 nan 0.000 0.423 271 A N 0.864 123.660 122.820 -0.040 0.000 1.892 271 A HA -0.234 4.088 4.320 0.003 0.000 0.218 271 A C 2.025 179.594 177.584 -0.024 0.000 1.188 271 A CA 1.559 53.575 52.037 -0.034 0.000 0.631 271 A CB -0.813 18.163 19.000 -0.040 0.000 0.822 271 A HN 0.353 nan 8.150 nan 0.000 0.447 272 I N -1.183 119.376 120.570 -0.018 0.000 2.163 272 I HA -0.237 3.935 4.170 0.003 0.000 0.240 272 I C 2.601 178.707 176.117 -0.018 0.000 1.081 272 I CA 1.343 62.635 61.300 -0.013 0.000 1.353 272 I CB -0.407 37.589 38.000 -0.007 0.000 1.054 272 I HN 0.258 nan 8.210 nan 0.000 0.407 273 R N 0.789 121.280 120.500 -0.016 0.000 2.303 273 R HA -0.109 4.233 4.340 0.003 0.000 0.225 273 R C 2.088 178.378 176.300 -0.016 0.000 1.114 273 R CA 1.105 57.196 56.100 -0.015 0.000 1.007 273 R CB -0.472 29.822 30.300 -0.010 0.000 0.861 273 R HN 0.477 nan 8.270 nan 0.000 0.471 274 G N 0.578 109.366 108.800 -0.020 0.000 2.683 274 G HA2 0.063 4.025 3.960 0.003 0.000 0.213 274 G HA3 0.063 4.025 3.960 0.003 0.000 0.213 274 G C 0.425 175.310 174.900 -0.027 0.000 1.142 274 G CA 0.156 45.243 45.100 -0.021 0.000 0.793 274 G HN 0.311 nan 8.290 nan 0.000 0.534 275 A N 0.916 123.717 122.820 -0.031 0.000 2.548 275 A HA 0.389 4.711 4.320 0.003 0.000 0.247 275 A C -0.456 177.106 177.584 -0.036 0.000 1.067 275 A CA 0.250 52.262 52.037 -0.042 0.000 0.757 275 A CB 0.195 19.167 19.000 -0.046 0.000 0.996 275 A HN 0.159 nan 8.150 nan 0.000 0.504 276 D N 2.229 122.606 120.400 -0.038 0.000 2.473 276 D HA 0.518 5.160 4.640 0.003 0.000 0.253 276 D C 0.797 177.085 176.300 -0.019 0.000 1.233 276 D CA 0.194 54.181 54.000 -0.022 0.000 0.908 276 D CB 1.372 42.166 40.800 -0.009 0.000 1.170 276 D HN 0.413 nan 8.370 nan 0.000 0.558 277 A N 3.803 126.612 122.820 -0.019 0.000 1.933 277 A HA -0.187 4.135 4.320 0.003 0.000 0.218 277 A C 1.834 179.432 177.584 0.022 0.000 1.175 277 A CA 1.221 53.249 52.037 -0.015 0.000 0.628 277 A CB -0.189 18.800 19.000 -0.017 0.000 0.814 277 A HN 0.573 nan 8.150 nan 0.000 0.444 278 Q N -0.528 119.291 119.800 0.031 0.000 2.119 278 Q HA -0.179 4.163 4.340 0.003 0.000 0.201 278 Q C 2.000 178.052 176.000 0.086 0.000 0.972 278 Q CA 1.594 57.430 55.803 0.056 0.000 0.847 278 Q CB -0.353 28.411 28.738 0.044 0.000 0.903 278 Q HN 0.937 nan 8.270 nan 0.000 0.433 279 E N 0.761 121.004 120.200 0.072 0.000 2.072 279 E HA -0.194 4.158 4.350 0.003 0.000 0.191 279 E C 0.910 177.608 176.600 0.163 0.000 0.985 279 E CA 1.175 57.635 56.400 0.099 0.000 0.801 279 E CB 0.185 29.917 29.700 0.054 0.000 0.750 279 E HN 0.188 nan 8.360 nan 0.000 0.452 280 D N 0.424 120.897 120.400 0.122 0.000 2.117 280 D HA -0.128 4.514 4.640 0.003 0.000 0.198 280 D C 1.990 178.529 176.300 0.398 0.000 0.982 280 D CA 0.599 54.721 54.000 0.203 0.000 0.828 280 D CB -0.146 40.645 40.800 -0.015 0.000 0.967 280 D HN 0.187 nan 8.370 nan 0.000 0.464 281 L N 0.763 122.141 121.223 0.257 0.000 2.017 281 L HA -0.095 4.247 4.340 0.003 0.000 0.208 281 L C 2.405 179.451 176.870 0.295 0.000 1.073 281 L CA 1.434 56.433 54.840 0.264 0.000 0.745 281 L CB -0.646 41.505 42.059 0.152 0.000 0.894 281 L HN -0.050 nan 8.230 nan 0.000 0.432 282 R N -2.064 118.583 120.500 0.244 0.000 2.081 282 R HA -0.247 4.095 4.340 0.003 0.000 0.235 282 R C 2.222 178.672 176.300 0.250 0.000 1.131 282 R CA 1.823 58.046 56.100 0.205 0.000 0.960 282 R CB -0.541 29.857 30.300 0.164 0.000 0.856 282 R HN 0.466 nan 8.270 nan 0.000 0.436 283 W N 0.360 121.750 121.300 0.150 0.000 2.355 283 W HA -0.215 4.447 4.660 0.003 0.000 0.309 283 W C 1.802 178.409 176.519 0.147 0.000 1.206 283 W CA 1.295 58.725 57.345 0.143 0.000 1.284 283 W CB -0.579 28.989 29.460 0.181 0.000 1.145 283 W HN -0.004 nan 8.180 nan 0.000 0.502 284 F N 1.438 121.518 119.950 0.217 0.000 2.134 284 F HA -0.178 4.351 4.527 0.003 0.000 0.299 284 F C 2.801 178.508 175.800 -0.154 0.000 1.097 284 F CA 2.552 60.500 58.000 -0.086 0.000 1.264 284 F CB -0.649 38.454 39.000 0.171 0.000 1.001 284 F HN -0.162 nan 8.300 nan 0.000 0.479 285 R N -0.600 119.966 120.500 0.109 0.000 2.105 285 R HA -0.185 4.157 4.340 0.003 0.000 0.239 285 R C 2.449 178.666 176.300 -0.138 0.000 1.135 285 R CA 1.735 57.842 56.100 0.012 0.000 0.967 285 R CB -0.623 29.727 30.300 0.083 0.000 0.861 285 R HN 0.303 nan 8.270 nan 0.000 0.442 286 S N -1.046 114.546 115.700 -0.179 0.000 2.377 286 S HA -0.069 4.402 4.470 0.003 0.000 0.223 286 S C 1.697 176.088 174.600 -0.348 0.000 1.030 286 S CA 1.485 59.559 58.200 -0.210 0.000 0.970 286 S CB -0.000 63.107 63.200 -0.155 0.000 0.830 286 S HN 0.698 nan 8.310 nan 0.000 0.473 287 T N -2.773 111.424 114.554 -0.595 0.000 3.040 287 T HA 0.360 4.712 4.350 0.003 0.000 0.250 287 T C 1.200 175.507 174.700 -0.654 0.000 1.058 287 T CA 0.414 62.123 62.100 -0.653 0.000 0.988 287 T CB 0.423 68.721 68.868 -0.950 0.000 0.993 287 T HN 0.185 nan 8.240 nan 0.000 0.519 288 S N -0.661 114.580 115.700 -0.765 0.000 2.684 288 S HA 0.516 4.988 4.470 0.003 0.000 0.268 288 S C 0.880 175.159 174.600 -0.536 0.000 1.075 288 S CA -0.153 57.572 58.200 -0.791 0.000 1.184 288 S CB 0.932 63.235 63.200 -1.494 0.000 1.129 288 S HN 0.761 nan 8.310 nan 0.000 0.630 289 G N 1.689 110.249 108.800 -0.400 0.000 3.262 289 G HA2 0.467 4.429 3.960 0.003 0.000 0.229 289 G HA3 0.467 4.429 3.960 0.003 0.000 0.229 289 G C -2.423 172.415 174.900 -0.105 0.000 1.280 289 G CA -0.944 44.050 45.100 -0.177 0.000 0.951 289 G HN -0.065 nan 8.290 nan 0.000 0.589 290 P HA 0.004 nan 4.420 nan 0.000 0.229 290 P C 1.519 178.819 177.300 -0.000 0.000 1.150 290 P CA 1.348 64.452 63.100 0.006 0.000 0.765 290 P CB -0.053 31.669 31.700 0.036 0.000 0.783 291 G N -1.139 107.638 108.800 -0.037 0.000 2.623 291 G HA2 -0.001 3.961 3.960 0.003 0.000 0.214 291 G HA3 -0.001 3.961 3.960 0.003 0.000 0.214 291 G C 0.686 175.548 174.900 -0.062 0.000 1.138 291 G CA -0.123 44.954 45.100 -0.038 0.000 0.794 291 G HN 0.217 nan 8.290 nan 0.000 0.535 292 M N 1.861 121.402 119.600 -0.099 0.000 2.252 292 M HA 0.193 4.675 4.480 0.003 0.000 0.333 292 M C -1.638 174.615 176.300 -0.078 0.000 1.111 292 M CA -1.213 54.018 55.300 -0.116 0.000 1.140 292 M CB 0.223 32.729 32.600 -0.155 0.000 1.538 292 M HN -0.057 nan 8.290 nan 0.000 0.448 293 P HA 0.314 nan 4.420 nan 0.000 0.271 293 P C -1.085 176.138 177.300 -0.129 0.000 1.244 293 P CA -0.261 62.800 63.100 -0.066 0.000 0.793 293 P CB 0.735 32.397 31.700 -0.064 0.000 0.984 294 M N 0.842 120.344 119.600 -0.165 0.000 2.426 294 M HA 0.322 4.804 4.480 0.003 0.000 0.289 294 M C -2.195 173.835 176.300 -0.450 0.000 1.168 294 M CA -0.340 54.724 55.300 -0.393 0.000 0.933 294 M CB 1.687 33.892 32.600 -0.659 0.000 1.750 294 M HN 0.043 nan 8.290 nan 0.000 0.494 295 N N 3.467 121.895 118.700 -0.453 0.000 2.485 295 N HA 0.370 5.112 4.740 0.003 0.000 0.243 295 N C -1.853 173.451 175.510 -0.343 0.000 0.987 295 N CA 0.008 52.887 53.050 -0.285 0.000 0.940 295 N CB 0.536 38.933 38.487 -0.150 0.000 1.122 295 N HN 0.633 nan 8.380 nan 0.000 0.509 296 W N 2.637 123.933 121.300 -0.007 0.000 2.261 296 W HA 0.321 4.983 4.660 0.003 0.000 0.323 296 W C -1.429 175.091 176.519 0.002 0.000 1.243 296 W CA -1.340 56.002 57.345 -0.004 0.000 1.210 296 W CB -0.250 29.210 29.460 -0.001 0.000 1.149 296 W HN 0.368 nan 8.180 nan 0.000 0.562 297 P HA -0.054 nan 4.420 nan 0.000 0.267 297 P C -0.804 176.575 177.300 0.132 0.000 1.195 297 P CA 0.356 63.533 63.100 0.128 0.000 0.773 297 P CB 0.415 32.187 31.700 0.119 0.000 0.837 298 Q N 0.276 120.134 119.800 0.097 0.000 2.630 298 Q HA 0.436 4.778 4.340 0.003 0.000 0.295 298 Q C -1.050 175.026 176.000 0.127 0.000 0.944 298 Q CA -0.987 54.890 55.803 0.123 0.000 0.766 298 Q CB 0.769 29.580 28.738 0.122 0.000 1.471 298 Q HN 0.237 nan 8.270 nan 0.000 0.416 299 F N 1.353 121.327 119.950 0.039 0.000 2.578 299 F HA 0.114 4.643 4.527 0.003 0.000 0.376 299 F C -0.018 175.805 175.800 0.038 0.000 1.085 299 F CA 0.759 58.782 58.000 0.038 0.000 1.260 299 F CB 0.641 39.661 39.000 0.034 0.000 1.095 299 F HN 0.579 nan 8.300 nan 0.000 0.573 300 E N 5.006 124.962 120.200 -0.405 0.000 2.182 300 E HA 0.198 4.550 4.350 0.003 0.000 0.258 300 E C -0.953 175.507 176.600 -0.234 0.000 0.879 300 E CA -0.590 55.697 56.400 -0.189 0.000 0.754 300 E CB 0.835 30.447 29.700 -0.148 0.000 1.162 300 E HN 0.629 nan 8.360 nan 0.000 0.419 301 E N 2.419 122.653 120.200 0.057 0.000 2.373 301 E HA 0.051 4.403 4.350 0.003 0.000 0.263 301 E C -0.895 175.792 176.600 0.144 0.000 1.073 301 E CA -0.462 56.048 56.400 0.183 0.000 0.894 301 E CB 0.755 30.609 29.700 0.256 0.000 1.008 301 E HN 0.449 nan 8.360 nan 0.000 0.420 302 W N 3.114 124.425 121.300 0.018 0.000 2.356 302 W HA 0.062 4.724 4.660 0.003 0.000 0.311 302 W C 0.276 176.801 176.519 0.010 0.000 1.328 302 W CA 0.046 57.390 57.345 -0.001 0.000 1.251 302 W CB 0.268 29.732 29.460 0.007 0.000 1.280 302 W HN 0.439 nan 8.180 nan 0.000 0.524 303 N N 6.428 124.803 118.700 -0.541 0.000 2.381 303 N HA 0.404 5.146 4.740 0.003 0.000 0.289 303 N C -2.152 172.543 175.510 -1.358 0.000 1.288 303 N CA -1.565 51.121 53.050 -0.607 0.000 0.960 303 N CB 0.135 38.376 38.487 -0.410 0.000 1.116 303 N HN 0.162 nan 8.380 nan 0.000 0.557 304 P HA 0.000 nan 4.420 nan 0.000 0.216 304 P CA 0.000 62.862 63.100 -0.396 0.000 0.800 304 P CB 0.000 31.541 31.700 -0.266 0.000 0.726