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 1vcg_1_B DATA FIRST_RESID 9 DATA SEQUENCE KHLEACLEGE VAYQKTTTGL EGFRLRYQAL AGLALSEVDL TTPFLGKTLK DATA SEQUENCE APFLIGAXTX XXXXXERINL ALAEAAEALG VGXXLGSGRI LLERPEALRS DATA SEQUENCE FRVRKVAPKA LLIANLGLAQ LRRYGRDDLL RLVEXLEADA LAFHVNPLQE DATA SEQUENCE AVQRGDTDFR GLVERLAELL PLPFPVXVKE VGHGLSREAA LALRDLPLAA DATA SEQUENCE VDVAGAGGTS WARVEEWVRF GEVRHPELCE IGIPTARAIL EVREVLPHLP DATA SEQUENCE LVASGGVYTG TDGAKALALG ADLLAVARPL LRPALEGAER VAAWIGDYLE DATA SEQUENCE ELRTALFAIG ARNPKEARGR VERV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.692 176.600 0.154 0.000 0.988 9 K CA 0.000 56.375 56.287 0.146 0.000 0.838 9 K CB 0.000 32.604 32.500 0.173 0.000 1.064 10 H N 1.869 120.986 119.070 0.078 0.000 2.389 10 H HA 0.045 4.600 4.556 -0.000 0.000 0.299 10 H C 1.761 177.108 175.328 0.033 0.000 1.081 10 H CA 1.461 57.566 56.048 0.095 0.000 1.345 10 H CB 0.169 30.075 29.762 0.241 0.000 1.393 10 H HN 0.003 nan 8.280 nan 0.000 0.520 11 L N 0.931 122.256 121.223 0.170 0.000 2.141 11 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 11 L C 1.942 178.813 176.870 0.003 0.000 1.094 11 L CA 1.751 56.632 54.840 0.068 0.000 0.763 11 L CB -0.590 41.498 42.059 0.049 0.000 0.908 11 L HN 0.379 nan 8.230 nan 0.000 0.437 12 E N -0.257 119.954 120.200 0.018 0.000 2.047 12 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 12 E C 2.152 178.713 176.600 -0.065 0.000 0.987 12 E CA 1.193 57.591 56.400 -0.004 0.000 0.799 12 E CB 0.091 29.814 29.700 0.037 0.000 0.752 12 E HN 0.556 nan 8.360 nan 0.000 0.449 13 A N 0.638 123.406 122.820 -0.086 0.000 1.883 13 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 13 A C 2.477 179.814 177.584 -0.413 0.000 1.186 13 A CA 1.612 53.489 52.037 -0.266 0.000 0.624 13 A CB -1.013 17.860 19.000 -0.210 0.000 0.822 13 A HN 0.521 nan 8.150 nan 0.000 0.444 14 C N -0.931 118.185 119.300 -0.308 0.000 2.419 14 C HA -0.008 4.452 4.460 -0.000 0.000 0.281 14 C C 2.366 177.205 174.990 -0.252 0.000 1.336 14 C CA 0.821 59.653 59.018 -0.311 0.000 1.770 14 C CB -1.130 26.477 27.740 -0.223 0.000 1.929 14 C HN 0.602 nan 8.230 nan 0.000 0.509 15 L N 0.540 121.646 121.223 -0.195 0.000 2.307 15 L HA 0.089 4.429 4.340 -0.000 0.000 0.211 15 L C 1.831 178.604 176.870 -0.162 0.000 1.099 15 L CA 1.819 56.569 54.840 -0.149 0.000 0.816 15 L CB -0.608 41.395 42.059 -0.094 0.000 0.952 15 L HN 0.455 nan 8.230 nan 0.000 0.455 16 E N -1.630 118.443 120.200 -0.211 0.000 2.541 16 E HA 0.194 4.544 4.350 -0.000 0.000 0.219 16 E C 0.768 177.152 176.600 -0.359 0.000 0.922 16 E CA 0.045 56.334 56.400 -0.184 0.000 1.095 16 E CB 0.965 30.634 29.700 -0.052 0.000 1.112 16 E HN 0.322 nan 8.360 nan 0.000 0.516 17 G N 0.903 109.233 108.800 -0.783 0.000 2.552 17 G HA2 0.251 4.211 3.960 -0.000 0.000 0.324 17 G HA3 0.251 4.211 3.960 -0.000 0.000 0.324 17 G C -0.294 173.939 174.900 -1.113 0.000 1.217 17 G CA -0.542 43.552 45.100 -1.677 0.000 0.989 17 G HN -0.108 nan 8.290 nan 0.000 0.490 18 E N 1.413 120.929 120.200 -1.140 0.000 1.979 18 E HA 0.079 4.429 4.350 -0.000 0.000 0.285 18 E C 1.408 177.798 176.600 -0.350 0.000 1.188 18 E CA -0.296 55.853 56.400 -0.418 0.000 1.214 18 E CB 0.746 30.398 29.700 -0.079 0.000 1.210 18 E HN 0.381 nan 8.360 nan 0.000 0.477 19 V N -1.600 118.064 119.914 -0.416 0.000 3.649 19 V HA 0.335 4.455 4.120 -0.000 0.000 0.275 19 V C 0.973 176.905 176.094 -0.269 0.000 1.281 19 V CA -0.074 62.013 62.300 -0.355 0.000 1.143 19 V CB -0.174 31.363 31.823 -0.477 0.000 0.892 19 V HN 0.260 nan 8.190 nan 0.000 0.441 20 A N -0.466 122.256 122.820 -0.164 0.000 2.304 20 A HA 0.633 4.953 4.320 -0.000 0.000 0.271 20 A C -0.400 177.159 177.584 -0.042 0.000 1.091 20 A CA -0.504 51.504 52.037 -0.048 0.000 0.812 20 A CB -0.016 19.011 19.000 0.046 0.000 1.056 20 A HN 0.413 nan 8.150 nan 0.000 0.489 21 Y N 0.347 120.631 120.300 -0.026 0.000 2.497 21 Y HA 0.062 4.612 4.550 -0.000 0.000 0.334 21 Y C 1.685 177.583 175.900 -0.003 0.000 1.199 21 Y CA 0.578 58.666 58.100 -0.019 0.000 1.425 21 Y CB 0.702 39.141 38.460 -0.035 0.000 1.291 21 Y HN 0.667 nan 8.280 nan 0.000 0.562 22 Q N 1.860 121.752 119.800 0.153 0.000 2.390 22 Q HA 0.051 4.391 4.340 -0.000 0.000 0.216 22 Q C 1.048 177.103 176.000 0.092 0.000 0.916 22 Q CA 1.028 56.890 55.803 0.097 0.000 0.911 22 Q CB 0.290 29.068 28.738 0.067 0.000 1.035 22 Q HN 0.727 nan 8.270 nan 0.000 0.541 23 K N 0.455 120.922 120.400 0.111 0.000 2.312 23 K HA 0.115 4.435 4.320 -0.000 0.000 0.206 23 K C 0.686 177.318 176.600 0.053 0.000 1.121 23 K CA 0.619 56.950 56.287 0.073 0.000 0.923 23 K CB 0.330 32.869 32.500 0.065 0.000 1.162 23 K HN 0.166 nan 8.250 nan 0.000 0.478 24 T N 1.697 116.292 114.554 0.068 0.000 2.926 24 T HA 0.162 4.512 4.350 -0.000 0.000 0.307 24 T C 0.378 175.012 174.700 -0.110 0.000 1.059 24 T CA -0.471 61.605 62.100 -0.041 0.000 1.122 24 T CB 1.106 69.910 68.868 -0.107 0.000 0.972 24 T HN 0.259 nan 8.240 nan 0.000 0.545 25 T N -2.289 112.188 114.554 -0.129 0.000 2.907 25 T HA 0.488 4.838 4.350 -0.000 0.000 0.290 25 T C 1.581 176.185 174.700 -0.160 0.000 1.066 25 T CA -0.222 61.802 62.100 -0.127 0.000 1.012 25 T CB 1.268 70.097 68.868 -0.064 0.000 1.184 25 T HN 0.728 nan 8.240 nan 0.000 0.522 26 T N -2.124 112.344 114.554 -0.143 0.000 2.881 26 T HA 0.204 4.554 4.350 -0.000 0.000 0.270 26 T C 1.930 176.604 174.700 -0.043 0.000 1.068 26 T CA 1.576 63.603 62.100 -0.121 0.000 1.131 26 T CB -1.140 67.662 68.868 -0.111 0.000 0.871 26 T HN 2.108 nan 8.240 nan 0.000 0.479 27 G N 0.840 109.630 108.800 -0.016 0.000 2.175 27 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.244 27 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.244 27 G C 0.785 175.776 174.900 0.151 0.000 0.982 27 G CA 0.297 45.422 45.100 0.041 0.000 0.641 27 G HN 0.553 nan 8.290 nan 0.000 0.527 28 L N 1.365 122.671 121.223 0.138 0.000 2.265 28 L HA -0.020 4.319 4.340 -0.000 0.000 0.215 28 L C 2.872 179.861 176.870 0.199 0.000 1.117 28 L CA 1.709 56.684 54.840 0.224 0.000 0.782 28 L CB -0.265 41.843 42.059 0.082 0.000 0.914 28 L HN 0.598 nan 8.230 nan 0.000 0.441 29 E N 0.483 120.728 120.200 0.076 0.000 2.338 29 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 29 E C 1.782 178.364 176.600 -0.030 0.000 1.007 29 E CA 1.236 57.649 56.400 0.022 0.000 0.849 29 E CB -0.274 29.421 29.700 -0.008 0.000 0.774 29 E HN 0.396 nan 8.360 nan 0.000 0.506 30 G N 0.128 108.867 108.800 -0.102 0.000 2.920 30 G HA2 0.157 4.117 3.960 -0.000 0.000 0.208 30 G HA3 0.157 4.117 3.960 -0.000 0.000 0.208 30 G C -0.166 174.374 174.900 -0.601 0.000 1.159 30 G CA -0.248 44.633 45.100 -0.365 0.000 0.784 30 G HN 0.102 nan 8.290 nan 0.000 0.535 31 F N -0.751 119.188 119.950 -0.018 0.000 2.565 31 F HA 0.597 5.124 4.527 -0.000 0.000 0.313 31 F C 0.293 176.086 175.800 -0.012 0.000 1.091 31 F CA -1.158 56.834 58.000 -0.014 0.000 0.915 31 F CB 2.035 41.027 39.000 -0.014 0.000 1.208 31 F HN -0.321 nan 8.300 nan 0.000 0.453 32 R N 2.299 122.902 120.500 0.172 0.000 2.514 32 R HA 0.602 4.942 4.340 -0.000 0.000 0.301 32 R C -1.093 175.267 176.300 0.100 0.000 0.962 32 R CA -0.989 55.170 56.100 0.098 0.000 0.882 32 R CB 1.888 32.220 30.300 0.054 0.000 1.143 32 R HN 0.638 nan 8.270 nan 0.000 0.452 33 L N 3.742 125.009 121.223 0.073 0.000 2.416 33 L HA 0.248 4.588 4.340 -0.000 0.000 0.272 33 L C 0.835 177.750 176.870 0.075 0.000 1.161 33 L CA -0.125 54.753 54.840 0.063 0.000 0.845 33 L CB 0.427 42.516 42.059 0.051 0.000 1.119 33 L HN 0.335 nan 8.230 nan 0.000 0.464 34 R N 3.163 123.699 120.500 0.061 0.000 2.459 34 R HA 0.024 4.364 4.340 -0.000 0.000 0.301 34 R C -0.726 175.616 176.300 0.070 0.000 1.286 34 R CA -0.336 55.798 56.100 0.057 0.000 1.046 34 R CB -0.253 30.061 30.300 0.023 0.000 1.071 34 R HN 0.362 nan 8.270 nan 0.000 0.512 35 Y N 3.351 123.631 120.300 -0.032 0.000 2.537 35 Y HA -0.049 4.501 4.550 -0.000 0.000 0.339 35 Y C -0.169 175.692 175.900 -0.065 0.000 1.066 35 Y CA -0.058 58.011 58.100 -0.052 0.000 1.357 35 Y CB 0.658 39.093 38.460 -0.043 0.000 1.175 35 Y HN 0.300 nan 8.280 nan 0.000 0.525 36 Q N 6.501 125.951 119.800 -0.583 0.000 2.509 36 Q HA 0.362 4.702 4.340 -0.000 0.000 0.236 36 Q C 0.899 176.389 176.000 -0.851 0.000 1.073 36 Q CA 0.204 55.659 55.803 -0.582 0.000 0.867 36 Q CB 1.229 29.776 28.738 -0.319 0.000 1.181 36 Q HN 0.946 nan 8.270 nan 0.000 0.526 37 A N 2.509 124.719 122.820 -1.016 0.000 2.024 37 A HA -0.075 4.245 4.320 -0.000 0.000 0.220 37 A C 1.094 178.477 177.584 -0.336 0.000 1.164 37 A CA 1.135 52.758 52.037 -0.690 0.000 0.643 37 A CB 0.114 18.917 19.000 -0.329 0.000 0.806 37 A HN 0.602 nan 8.150 nan 0.000 0.451 38 L N -1.071 119.984 121.223 -0.281 0.000 3.141 38 L HA 0.296 4.636 4.340 -0.000 0.000 0.263 38 L C 1.600 178.372 176.870 -0.163 0.000 1.312 38 L CA 0.101 54.838 54.840 -0.171 0.000 1.012 38 L CB 0.486 42.477 42.059 -0.114 0.000 1.408 38 L HN 0.301 nan 8.230 nan 0.000 0.559 39 A N -0.199 122.491 122.820 -0.216 0.000 2.209 39 A HA 0.203 4.523 4.320 -0.000 0.000 0.212 39 A C 1.678 179.193 177.584 -0.116 0.000 1.158 39 A CA 0.639 52.573 52.037 -0.172 0.000 0.742 39 A CB -0.410 18.458 19.000 -0.221 0.000 0.790 39 A HN 0.581 nan 8.150 nan 0.000 0.472 40 G N -0.373 108.362 108.800 -0.107 0.000 2.372 40 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.290 40 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.290 40 G C -0.222 174.677 174.900 -0.003 0.000 0.965 40 G CA 0.816 45.890 45.100 -0.045 0.000 1.263 40 G HN 1.464 nan 8.290 nan 0.000 0.498 41 L N -2.789 118.452 121.223 0.031 0.000 2.397 41 L HA 1.060 5.400 4.340 -0.000 0.000 0.251 41 L C 0.043 177.077 176.870 0.274 0.000 1.064 41 L CA -1.385 53.522 54.840 0.112 0.000 0.859 41 L CB 1.107 43.220 42.059 0.091 0.000 1.468 41 L HN 0.898 nan 8.230 nan 0.000 0.411 42 A N 0.244 123.200 122.820 0.228 0.000 2.317 42 A HA 0.636 4.955 4.320 -0.000 0.000 0.327 42 A C 0.696 178.334 177.584 0.090 0.000 1.178 42 A CA -0.428 51.717 52.037 0.180 0.000 0.817 42 A CB 0.838 19.875 19.000 0.061 0.000 1.189 42 A HN 0.969 nan 8.150 nan 0.000 0.489 43 L N 3.191 124.222 121.223 -0.320 0.000 2.081 43 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 43 L C 2.502 179.238 176.870 -0.224 0.000 1.080 43 L CA 3.127 57.572 54.840 -0.658 0.000 0.754 43 L CB -0.646 40.802 42.059 -1.019 0.000 0.893 43 L HN 0.817 nan 8.230 nan 0.000 0.433 44 S N -0.514 115.099 115.700 -0.145 0.000 2.442 44 S HA -0.224 4.245 4.470 -0.000 0.000 0.236 44 S C 1.572 176.158 174.600 -0.023 0.000 1.007 44 S CA 1.006 59.162 58.200 -0.073 0.000 0.965 44 S CB -0.792 62.377 63.200 -0.053 0.000 0.773 44 S HN 0.822 nan 8.310 nan 0.000 0.504 45 E N 0.965 121.170 120.200 0.008 0.000 2.489 45 E HA 0.202 4.552 4.350 -0.000 0.000 0.193 45 E C 0.357 176.988 176.600 0.051 0.000 1.057 45 E CA -0.094 56.327 56.400 0.034 0.000 0.866 45 E CB 0.073 29.802 29.700 0.050 0.000 0.916 45 E HN 0.343 nan 8.360 nan 0.000 0.500 46 V N 2.290 122.238 119.914 0.058 0.000 2.389 46 V HA 0.086 4.205 4.120 -0.000 0.000 0.264 46 V C -0.755 175.367 176.094 0.046 0.000 1.049 46 V CA -0.468 61.877 62.300 0.073 0.000 0.932 46 V CB 1.005 32.897 31.823 0.115 0.000 1.011 46 V HN 0.245 nan 8.190 nan 0.000 0.475 47 D N 5.751 126.178 120.400 0.046 0.000 2.280 47 D HA 0.230 4.870 4.640 -0.000 0.000 0.236 47 D C 0.717 177.045 176.300 0.047 0.000 1.082 47 D CA -0.401 53.622 54.000 0.039 0.000 0.834 47 D CB 1.881 42.702 40.800 0.036 0.000 1.100 47 D HN 0.600 nan 8.370 nan 0.000 0.486 48 L N 2.546 123.797 121.223 0.047 0.000 2.558 48 L HA 0.035 4.375 4.340 -0.000 0.000 0.225 48 L C 1.010 177.915 176.870 0.059 0.000 1.128 48 L CA 0.236 55.111 54.840 0.058 0.000 0.868 48 L CB -0.186 41.910 42.059 0.062 0.000 1.006 48 L HN 0.349 nan 8.230 nan 0.000 0.454 49 T N 1.641 116.226 114.554 0.052 0.000 2.849 49 T HA 0.104 4.454 4.350 -0.000 0.000 0.289 49 T C 0.470 175.207 174.700 0.063 0.000 1.010 49 T CA 0.549 62.682 62.100 0.055 0.000 1.161 49 T CB 0.062 68.957 68.868 0.047 0.000 0.989 49 T HN 0.388 nan 8.240 nan 0.000 0.523 50 T N 2.016 116.615 114.554 0.075 0.000 3.237 50 T HA 0.502 4.852 4.350 -0.000 0.000 0.319 50 T C -3.313 171.457 174.700 0.117 0.000 1.037 50 T CA -1.809 60.343 62.100 0.086 0.000 1.048 50 T CB 2.316 71.230 68.868 0.076 0.000 1.081 50 T HN 0.242 nan 8.240 nan 0.000 0.455 51 P HA 0.516 nan 4.420 nan 0.000 0.287 51 P C -1.351 176.086 177.300 0.228 0.000 1.281 51 P CA -0.380 62.802 63.100 0.138 0.000 0.781 51 P CB 0.596 32.351 31.700 0.092 0.000 0.903 52 F N 4.703 124.674 119.950 0.035 0.000 2.578 52 F HA 0.306 4.833 4.527 -0.000 0.000 0.311 52 F C 0.434 176.252 175.800 0.031 0.000 1.094 52 F CA -1.128 56.892 58.000 0.034 0.000 0.923 52 F CB 1.285 40.306 39.000 0.034 0.000 1.230 52 F HN 0.185 nan 8.300 nan 0.000 0.450 53 L N 5.295 126.073 121.223 -0.742 0.000 3.829 53 L HA -0.239 4.101 4.340 -0.000 0.000 0.440 53 L C 0.867 177.610 176.870 -0.211 0.000 1.192 53 L CA 1.048 55.559 54.840 -0.550 0.000 0.848 53 L CB -1.991 39.633 42.059 -0.725 0.000 1.744 53 L HN 1.268 nan 8.230 nan 0.000 0.920 54 G N -0.059 108.673 108.800 -0.112 0.000 2.324 54 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.292 54 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.292 54 G C -0.031 174.861 174.900 -0.013 0.000 1.079 54 G CA 0.631 45.705 45.100 -0.043 0.000 1.026 54 G HN 0.532 nan 8.290 nan 0.000 0.506 55 K N -1.093 119.315 120.400 0.014 0.000 2.639 55 K HA 0.373 4.693 4.320 -0.000 0.000 0.279 55 K C -1.018 175.625 176.600 0.072 0.000 0.976 55 K CA -0.837 55.474 56.287 0.040 0.000 0.861 55 K CB 1.358 33.884 32.500 0.042 0.000 1.436 55 K HN 0.056 nan 8.250 nan 0.000 0.400 56 T N 2.946 117.539 114.554 0.066 0.000 2.832 56 T HA 0.366 4.716 4.350 -0.000 0.000 0.313 56 T C 0.124 174.873 174.700 0.081 0.000 1.035 56 T CA -0.522 61.623 62.100 0.075 0.000 0.950 56 T CB -0.087 68.814 68.868 0.056 0.000 0.984 56 T HN 0.219 nan 8.240 nan 0.000 0.486 57 L N 2.905 124.191 121.223 0.105 0.000 2.418 57 L HA 0.399 4.739 4.340 -0.000 0.000 0.265 57 L C 1.574 178.493 176.870 0.081 0.000 1.143 57 L CA -0.573 54.328 54.840 0.101 0.000 0.809 57 L CB 0.743 42.879 42.059 0.129 0.000 1.124 57 L HN 0.510 nan 8.230 nan 0.000 0.456 58 K N 1.069 121.511 120.400 0.069 0.000 2.459 58 K HA 0.288 4.608 4.320 -0.000 0.000 0.193 58 K C 0.042 176.678 176.600 0.060 0.000 1.030 58 K CA 0.207 56.526 56.287 0.055 0.000 1.026 58 K CB 0.342 32.864 32.500 0.038 0.000 0.809 58 K HN 0.685 nan 8.250 nan 0.000 0.504 59 A N 1.307 124.176 122.820 0.081 0.000 2.589 59 A HA 0.317 4.637 4.320 -0.000 0.000 0.296 59 A C -2.722 174.938 177.584 0.127 0.000 1.062 59 A CA -1.226 50.871 52.037 0.100 0.000 0.686 59 A CB 1.104 20.161 19.000 0.096 0.000 1.282 59 A HN -0.151 nan 8.150 nan 0.000 0.404 60 P HA 0.179 nan 4.420 nan 0.000 0.249 60 P C -0.778 176.576 177.300 0.089 0.000 1.686 60 P CA 0.609 63.746 63.100 0.062 0.000 0.873 60 P CB -0.802 30.924 31.700 0.045 0.000 1.828 61 F N 1.096 121.017 119.950 -0.048 0.000 2.532 61 F HA 0.536 5.063 4.527 -0.000 0.000 0.321 61 F C -1.079 174.673 175.800 -0.080 0.000 1.089 61 F CA -1.099 56.860 58.000 -0.069 0.000 0.926 61 F CB 1.590 40.558 39.000 -0.054 0.000 1.168 61 F HN -0.213 nan 8.300 nan 0.000 0.459 62 L N 6.916 127.799 121.223 -0.567 0.000 2.410 62 L HA 0.480 4.820 4.340 -0.000 0.000 0.270 62 L C -0.667 175.919 176.870 -0.473 0.000 0.983 62 L CA -0.935 53.723 54.840 -0.305 0.000 0.822 62 L CB 2.209 44.126 42.059 -0.237 0.000 1.285 62 L HN 0.563 nan 8.230 nan 0.000 0.409 63 I N 2.209 122.720 120.570 -0.098 0.000 2.533 63 I HA 0.111 4.281 4.170 -0.000 0.000 0.284 63 I C 1.153 177.197 176.117 -0.122 0.000 1.109 63 I CA 0.210 61.475 61.300 -0.057 0.000 1.412 63 I CB 1.146 39.176 38.000 0.049 0.000 1.396 63 I HN 0.693 nan 8.210 nan 0.000 0.543 64 G N 4.660 113.369 108.800 -0.151 0.000 2.594 64 G HA2 0.417 4.377 3.960 -0.000 0.000 0.243 64 G HA3 0.417 4.377 3.960 -0.000 0.000 0.243 64 G C 0.268 175.125 174.900 -0.071 0.000 1.229 64 G CA -0.273 44.762 45.100 -0.108 0.000 0.843 64 G HN 0.832 nan 8.290 nan 0.000 0.578 75 R N 2.960 123.410 120.500 -0.084 0.000 2.200 75 R HA 0.309 4.649 4.340 -0.000 0.000 0.208 75 R C 2.577 178.842 176.300 -0.057 0.000 1.033 75 R CA 1.461 57.526 56.100 -0.058 0.000 1.000 75 R CB -1.287 28.988 30.300 -0.042 0.000 0.906 75 R HN 0.445 nan 8.270 nan 0.000 0.462 76 I N -0.907 119.622 120.570 -0.069 0.000 2.252 76 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 76 I C 1.135 177.213 176.117 -0.066 0.000 1.102 76 I CA 1.388 62.648 61.300 -0.065 0.000 1.385 76 I CB -0.644 37.313 38.000 -0.072 0.000 1.064 76 I HN 0.043 nan 8.210 nan 0.000 0.414 77 N N 1.886 120.536 118.700 -0.082 0.000 2.205 77 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 77 N C 2.037 177.519 175.510 -0.046 0.000 1.015 77 N CA 1.498 54.504 53.050 -0.074 0.000 0.862 77 N CB -0.266 38.157 38.487 -0.107 0.000 0.986 77 N HN 0.471 nan 8.380 nan 0.000 0.429 78 L N 0.502 121.700 121.223 -0.043 0.000 2.217 78 L HA -0.000 4.340 4.340 -0.000 0.000 0.211 78 L C 2.417 179.276 176.870 -0.020 0.000 1.107 78 L CA 0.517 55.342 54.840 -0.025 0.000 0.783 78 L CB -0.266 41.780 42.059 -0.022 0.000 0.919 78 L HN 0.102 nan 8.230 nan 0.000 0.442 79 A N -0.102 122.702 122.820 -0.026 0.000 1.935 79 A HA -0.020 4.300 4.320 -0.000 0.000 0.214 79 A C 2.210 179.783 177.584 -0.019 0.000 1.178 79 A CA 0.743 52.768 52.037 -0.021 0.000 0.640 79 A CB -0.338 18.646 19.000 -0.026 0.000 0.825 79 A HN 0.280 nan 8.150 nan 0.000 0.447 80 L N -0.636 120.571 121.223 -0.026 0.000 2.005 80 L HA -0.158 4.181 4.340 -0.000 0.000 0.207 80 L C 3.135 180.003 176.870 -0.003 0.000 1.072 80 L CA 1.123 55.951 54.840 -0.020 0.000 0.744 80 L CB -0.565 41.474 42.059 -0.033 0.000 0.895 80 L HN 0.419 nan 8.230 nan 0.000 0.433 81 A N -0.097 122.720 122.820 -0.005 0.000 1.865 81 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 81 A C 2.225 179.814 177.584 0.008 0.000 1.191 81 A CA 2.022 54.062 52.037 0.005 0.000 0.623 81 A CB -0.692 18.310 19.000 0.002 0.000 0.826 81 A HN 0.484 nan 8.150 nan 0.000 0.444 82 E N -0.264 119.938 120.200 0.003 0.000 2.130 82 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 82 E C 2.008 178.612 176.600 0.007 0.000 0.998 82 E CA 1.271 57.674 56.400 0.004 0.000 0.806 82 E CB -0.252 29.449 29.700 0.000 0.000 0.738 82 E HN 0.569 nan 8.360 nan 0.000 0.459 83 A N 0.801 123.625 122.820 0.007 0.000 1.930 83 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 83 A C 2.370 179.963 177.584 0.015 0.000 1.176 83 A CA 1.314 53.356 52.037 0.009 0.000 0.632 83 A CB -0.612 18.393 19.000 0.009 0.000 0.819 83 A HN 0.402 nan 8.150 nan 0.000 0.445 84 A N -0.090 122.745 122.820 0.026 0.000 1.883 84 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 84 A C 2.003 179.608 177.584 0.035 0.000 1.186 84 A CA 1.792 53.855 52.037 0.043 0.000 0.624 84 A CB -0.469 18.560 19.000 0.049 0.000 0.822 84 A HN 0.498 nan 8.150 nan 0.000 0.444 85 E N -0.323 119.892 120.200 0.025 0.000 2.017 85 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 85 E C 2.494 179.104 176.600 0.017 0.000 0.997 85 E CA 1.208 57.620 56.400 0.022 0.000 0.804 85 E CB -0.694 29.015 29.700 0.016 0.000 0.757 85 E HN 0.533 nan 8.360 nan 0.000 0.448 86 A N 0.966 123.793 122.820 0.012 0.000 1.915 86 A HA -0.227 4.093 4.320 -0.000 0.000 0.220 86 A C 2.183 179.769 177.584 0.004 0.000 1.198 86 A CA 1.909 53.950 52.037 0.007 0.000 0.647 86 A CB -0.571 18.431 19.000 0.004 0.000 0.825 86 A HN 0.174 nan 8.150 nan 0.000 0.456 87 L N -2.032 119.193 121.223 0.002 0.000 2.477 87 L HA 0.338 4.678 4.340 -0.000 0.000 0.220 87 L C 1.583 178.459 176.870 0.010 0.000 1.106 87 L CA 1.094 55.931 54.840 -0.005 0.000 0.851 87 L CB -0.249 41.790 42.059 -0.033 0.000 0.994 87 L HN 0.678 nan 8.230 nan 0.000 0.462 88 G N 0.516 109.332 108.800 0.026 0.000 2.204 88 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.244 88 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.244 88 G C 0.073 175.013 174.900 0.067 0.000 1.062 88 G CA 0.147 45.273 45.100 0.042 0.000 0.798 88 G HN 0.335 nan 8.290 nan 0.000 0.496 89 V N -2.242 117.721 119.914 0.083 0.000 3.019 89 V HA 1.037 5.157 4.120 -0.000 0.000 0.317 89 V C 1.033 177.211 176.094 0.140 0.000 1.094 89 V CA -0.210 62.175 62.300 0.142 0.000 1.000 89 V CB 1.663 33.618 31.823 0.221 0.000 1.060 89 V HN 1.242 nan 8.190 nan 0.000 0.443 94 G N -0.274 108.521 108.800 -0.008 0.000 2.667 94 G HA2 0.330 4.290 3.960 -0.000 0.000 0.250 94 G HA3 0.330 4.290 3.960 -0.000 0.000 0.250 94 G C 0.018 174.947 174.900 0.048 0.000 1.212 94 G CA 0.030 45.118 45.100 -0.019 0.000 0.874 94 G HN 0.639 nan 8.290 nan 0.000 0.561 95 S N -0.534 115.185 115.700 0.033 0.000 2.670 95 S HA 0.154 4.624 4.470 -0.000 0.000 0.308 95 S C 1.619 176.286 174.600 0.112 0.000 1.232 95 S CA 0.249 58.490 58.200 0.068 0.000 1.126 95 S CB -0.111 63.140 63.200 0.086 0.000 0.897 95 S HN 0.963 nan 8.310 nan 0.000 0.508 96 G N 5.072 113.896 108.800 0.041 0.000 3.061 96 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.208 96 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.208 96 G C 1.480 176.291 174.900 -0.149 0.000 1.175 96 G CA -0.340 44.734 45.100 -0.042 0.000 0.812 96 G HN 0.646 nan 8.290 nan 0.000 0.523 97 R N 0.471 120.909 120.500 -0.103 0.000 2.133 97 R HA -0.135 4.205 4.340 -0.000 0.000 0.247 97 R C 2.071 178.301 176.300 -0.116 0.000 1.151 97 R CA 1.162 57.157 56.100 -0.174 0.000 0.971 97 R CB -0.352 29.875 30.300 -0.121 0.000 0.866 97 R HN 0.440 nan 8.270 nan 0.000 0.447 98 I N 0.526 121.078 120.570 -0.030 0.000 2.756 98 I HA -0.190 3.980 4.170 -0.000 0.000 0.262 98 I C 2.082 178.149 176.117 -0.083 0.000 1.225 98 I CA 0.458 61.765 61.300 0.012 0.000 1.472 98 I CB -0.334 37.755 38.000 0.149 0.000 1.094 98 I HN 0.077 nan 8.210 nan 0.000 0.454 99 L N -0.238 120.825 121.223 -0.267 0.000 2.179 99 L HA 0.040 4.380 4.340 -0.000 0.000 0.208 99 L C 1.963 178.730 176.870 -0.172 0.000 1.096 99 L CA 1.565 56.180 54.840 -0.375 0.000 0.779 99 L CB -0.291 41.363 42.059 -0.675 0.000 0.922 99 L HN 0.164 nan 8.230 nan 0.000 0.443 100 L N -1.097 120.069 121.223 -0.094 0.000 2.610 100 L HA -0.021 4.319 4.340 -0.000 0.000 0.232 100 L C 1.545 178.491 176.870 0.127 0.000 1.149 100 L CA 0.431 55.306 54.840 0.057 0.000 0.872 100 L CB -0.233 41.935 42.059 0.182 0.000 0.992 100 L HN 0.347 nan 8.230 nan 0.000 0.447 101 E N -0.177 120.060 120.200 0.062 0.000 2.465 101 E HA 0.162 4.512 4.350 -0.000 0.000 0.209 101 E C 0.318 176.932 176.600 0.024 0.000 0.951 101 E CA 0.004 56.445 56.400 0.067 0.000 0.997 101 E CB 0.739 30.488 29.700 0.081 0.000 1.025 101 E HN 0.260 nan 8.360 nan 0.000 0.500 102 R N 0.852 121.350 120.500 -0.004 0.000 2.684 102 R HA 0.172 4.512 4.340 -0.000 0.000 0.252 102 R C -2.460 173.821 176.300 -0.032 0.000 1.628 102 R CA -1.192 54.905 56.100 -0.006 0.000 1.622 102 R CB 1.058 31.366 30.300 0.014 0.000 1.418 102 R HN -0.066 nan 8.270 nan 0.000 0.697 103 P HA -0.252 nan 4.420 nan 0.000 0.221 103 P C 1.069 178.348 177.300 -0.034 0.000 1.141 103 P CA 1.283 64.353 63.100 -0.051 0.000 0.794 103 P CB 0.301 31.982 31.700 -0.033 0.000 0.764 104 E N -0.672 119.521 120.200 -0.013 0.000 2.216 104 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 104 E C 1.631 178.244 176.600 0.021 0.000 0.988 104 E CA 1.098 57.500 56.400 0.004 0.000 0.834 104 E CB -0.979 28.727 29.700 0.010 0.000 0.772 104 E HN 0.192 nan 8.360 nan 0.000 0.479 105 A N 1.379 124.214 122.820 0.026 0.000 2.238 105 A HA 0.149 4.469 4.320 -0.000 0.000 0.208 105 A C 2.072 179.728 177.584 0.120 0.000 1.177 105 A CA -0.080 52.012 52.037 0.092 0.000 0.804 105 A CB -0.690 18.389 19.000 0.132 0.000 0.823 105 A HN 0.237 nan 8.150 nan 0.000 0.482 106 L N -0.096 121.131 121.223 0.005 0.000 2.131 106 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 106 L C 2.789 179.717 176.870 0.098 0.000 1.092 106 L CA 1.594 56.419 54.840 -0.025 0.000 0.759 106 L CB -0.242 41.777 42.059 -0.066 0.000 0.903 106 L HN 0.601 nan 8.230 nan 0.000 0.435 107 R N -0.621 119.931 120.500 0.086 0.000 2.170 107 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 107 R C 1.681 178.047 176.300 0.111 0.000 1.145 107 R CA 2.053 58.201 56.100 0.079 0.000 0.984 107 R CB -0.429 29.902 30.300 0.053 0.000 0.869 107 R HN 0.308 nan 8.270 nan 0.000 0.455 108 S N -0.156 115.654 115.700 0.182 0.000 2.501 108 S HA 0.096 4.566 4.470 -0.000 0.000 0.220 108 S C 0.752 175.418 174.600 0.110 0.000 0.997 108 S CA 0.303 58.577 58.200 0.123 0.000 0.919 108 S CB 0.061 63.298 63.200 0.062 0.000 0.778 108 S HN 0.304 nan 8.310 nan 0.000 0.523 109 F N 1.174 121.111 119.950 -0.022 0.000 2.721 109 F HA 0.340 4.866 4.527 -0.000 0.000 0.301 109 F C 1.073 176.856 175.800 -0.028 0.000 1.096 109 F CA -0.437 57.546 58.000 -0.029 0.000 1.308 109 F CB -0.004 38.974 39.000 -0.037 0.000 1.086 109 F HN -0.197 nan 8.300 nan 0.000 0.587 110 R N 1.437 122.043 120.500 0.176 0.000 2.543 110 R HA 0.037 4.377 4.340 -0.000 0.000 0.348 110 R C 0.853 177.187 176.300 0.057 0.000 0.981 110 R CA 0.218 56.369 56.100 0.085 0.000 1.019 110 R CB 0.481 30.817 30.300 0.060 0.000 0.944 110 R HN 0.144 nan 8.270 nan 0.000 0.425 111 V N 3.900 123.841 119.914 0.045 0.000 3.485 111 V HA 0.030 4.150 4.120 -0.000 0.000 0.280 111 V C 1.857 177.961 176.094 0.017 0.000 1.495 111 V CA 0.175 62.490 62.300 0.025 0.000 1.018 111 V CB 0.114 31.949 31.823 0.020 0.000 0.818 111 V HN 0.540 nan 8.190 nan 0.000 0.436 112 R N 2.049 122.558 120.500 0.016 0.000 2.170 112 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 112 R C 2.136 178.442 176.300 0.010 0.000 1.145 112 R CA 2.288 58.394 56.100 0.010 0.000 0.984 112 R CB -0.389 29.914 30.300 0.006 0.000 0.869 112 R HN 0.739 nan 8.270 nan 0.000 0.455 113 K N -1.077 119.330 120.400 0.011 0.000 2.113 113 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 113 K C 1.504 178.109 176.600 0.008 0.000 1.047 113 K CA 1.909 58.202 56.287 0.009 0.000 0.928 113 K CB -0.290 32.216 32.500 0.010 0.000 0.716 113 K HN 0.086 nan 8.250 nan 0.000 0.446 114 V N 0.307 120.226 119.914 0.008 0.000 3.174 114 V HA 0.141 4.261 4.120 -0.000 0.000 0.254 114 V C 1.168 177.267 176.094 0.008 0.000 1.120 114 V CA 0.745 63.048 62.300 0.006 0.000 1.114 114 V CB 0.246 32.072 31.823 0.004 0.000 0.756 114 V HN 0.421 nan 8.190 nan 0.000 0.467 115 A N 1.478 124.303 122.820 0.009 0.000 2.923 115 A HA 0.552 4.872 4.320 -0.000 0.000 0.343 115 A C -1.170 176.421 177.584 0.012 0.000 1.199 115 A CA -1.153 50.891 52.037 0.012 0.000 0.878 115 A CB 0.357 19.365 19.000 0.014 0.000 1.104 115 A HN 0.253 nan 8.150 nan 0.000 0.483 116 P HA -0.179 nan 4.420 nan 0.000 0.214 116 P C 0.849 178.156 177.300 0.012 0.000 1.162 116 P CA 1.469 64.576 63.100 0.010 0.000 0.879 116 P CB 0.327 32.033 31.700 0.009 0.000 0.786 117 K N -0.097 120.312 120.400 0.015 0.000 2.128 117 K HA 0.181 4.501 4.320 -0.000 0.000 0.202 117 K C 1.480 178.093 176.600 0.023 0.000 1.050 117 K CA 0.286 56.584 56.287 0.018 0.000 0.966 117 K CB -1.141 31.370 32.500 0.019 0.000 0.759 117 K HN 0.065 nan 8.250 nan 0.000 0.454 118 A N 2.782 125.618 122.820 0.026 0.000 2.616 118 A HA -0.041 4.279 4.320 -0.000 0.000 0.234 118 A C 0.247 177.852 177.584 0.035 0.000 1.024 118 A CA -0.111 51.947 52.037 0.035 0.000 0.758 118 A CB -0.380 18.641 19.000 0.035 0.000 0.939 118 A HN 0.329 nan 8.150 nan 0.000 0.510 119 L N 3.800 125.053 121.223 0.051 0.000 2.462 119 L HA 0.427 4.767 4.340 -0.000 0.000 0.272 119 L C -0.463 176.433 176.870 0.043 0.000 1.166 119 L CA 0.689 55.559 54.840 0.051 0.000 0.880 119 L CB -0.134 41.980 42.059 0.091 0.000 1.142 119 L HN 0.496 nan 8.230 nan 0.000 0.473 120 L N 6.887 128.119 121.223 0.014 0.000 2.372 120 L HA 0.422 4.762 4.340 -0.000 0.000 0.273 120 L C -0.816 176.037 176.870 -0.030 0.000 0.989 120 L CA -0.791 54.049 54.840 0.000 0.000 0.841 120 L CB 1.528 43.581 42.059 -0.009 0.000 1.225 120 L HN 0.480 nan 8.230 nan 0.000 0.414 121 I N 2.972 123.531 120.570 -0.019 0.000 2.337 121 I HA 0.352 4.521 4.170 -0.000 0.000 0.291 121 I C 0.921 176.985 176.117 -0.088 0.000 1.046 121 I CA 0.317 61.584 61.300 -0.055 0.000 1.324 121 I CB 1.441 39.438 38.000 -0.005 0.000 1.409 121 I HN 0.626 nan 8.210 nan 0.000 0.494 122 A N 5.899 128.624 122.820 -0.159 0.000 2.366 122 A HA 0.429 4.749 4.320 -0.000 0.000 0.249 122 A C 0.130 177.605 177.584 -0.182 0.000 1.084 122 A CA -0.279 51.654 52.037 -0.173 0.000 0.794 122 A CB 0.268 19.111 19.000 -0.262 0.000 1.034 122 A HN 0.733 nan 8.150 nan 0.000 0.491 123 N N 0.825 119.441 118.700 -0.140 0.000 2.238 123 N HA 0.471 5.211 4.740 -0.000 0.000 0.302 123 N C -0.475 174.954 175.510 -0.135 0.000 1.072 123 N CA -0.520 52.462 53.050 -0.113 0.000 0.792 123 N CB 1.827 40.306 38.487 -0.015 0.000 1.425 123 N HN 0.508 nan 8.380 nan 0.000 0.478 124 L N 1.524 122.640 121.223 -0.179 0.000 2.718 124 L HA 0.353 4.693 4.340 -0.000 0.000 0.247 124 L C 0.059 176.800 176.870 -0.215 0.000 1.028 124 L CA 1.118 55.847 54.840 -0.185 0.000 1.031 124 L CB -0.371 41.527 42.059 -0.270 0.000 1.910 124 L HN 0.842 nan 8.230 nan 0.000 0.526 125 G N 1.553 110.171 108.800 -0.303 0.000 3.436 125 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.685 125 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.685 125 G C 0.258 175.074 174.900 -0.142 0.000 1.039 125 G CA 0.081 44.737 45.100 -0.740 0.000 0.879 125 G HN 0.183 nan 8.290 nan 0.000 0.478 126 L N 2.625 123.825 121.223 -0.039 0.000 2.011 126 L HA -0.137 4.203 4.340 -0.000 0.000 0.225 126 L C 3.286 180.065 176.870 -0.151 0.000 1.084 126 L CA 3.858 58.632 54.840 -0.110 0.000 0.791 126 L CB -0.719 41.307 42.059 -0.054 0.000 0.898 126 L HN 1.636 nan 8.230 nan 0.000 0.440 127 A N -1.824 120.885 122.820 -0.186 0.000 2.214 127 A HA -0.271 4.049 4.320 -0.000 0.000 0.221 127 A C 2.026 179.511 177.584 -0.164 0.000 1.167 127 A CA 1.757 53.621 52.037 -0.287 0.000 0.670 127 A CB -0.474 18.251 19.000 -0.459 0.000 0.797 127 A HN 0.641 nan 8.150 nan 0.000 0.477 128 Q N -0.690 119.045 119.800 -0.108 0.000 2.331 128 Q HA 0.124 4.464 4.340 -0.000 0.000 0.203 128 Q C 1.751 177.790 176.000 0.065 0.000 0.944 128 Q CA 0.545 56.325 55.803 -0.038 0.000 0.892 128 Q CB -0.345 28.295 28.738 -0.164 0.000 0.983 128 Q HN 0.753 nan 8.270 nan 0.000 0.482 129 L N 0.572 121.787 121.223 -0.013 0.000 2.642 129 L HA -0.056 4.284 4.340 -0.000 0.000 0.236 129 L C 2.221 179.094 176.870 0.005 0.000 1.169 129 L CA 0.557 55.393 54.840 -0.006 0.000 0.851 129 L CB -0.253 41.715 42.059 -0.152 0.000 0.968 129 L HN 0.107 nan 8.230 nan 0.000 0.453 130 R N 0.567 121.069 120.500 0.002 0.000 2.297 130 R HA 0.033 4.373 4.340 -0.000 0.000 0.197 130 R C 1.310 177.621 176.300 0.017 0.000 0.943 130 R CA 0.412 56.504 56.100 -0.014 0.000 1.038 130 R CB 0.278 30.547 30.300 -0.052 0.000 0.957 130 R HN 0.288 nan 8.270 nan 0.000 0.484 131 R N -1.733 118.825 120.500 0.097 0.000 2.526 131 R HA 0.197 4.537 4.340 -0.000 0.000 0.346 131 R C -1.011 175.233 176.300 -0.094 0.000 0.926 131 R CA -0.119 55.999 56.100 0.031 0.000 1.147 131 R CB 0.888 31.233 30.300 0.075 0.000 1.629 131 R HN 0.015 nan 8.270 nan 0.000 0.516 132 Y N -0.719 119.573 120.300 -0.013 0.000 2.553 132 Y HA 0.712 5.261 4.550 -0.000 0.000 0.347 132 Y C 0.507 176.414 175.900 0.013 0.000 1.019 132 Y CA -1.230 56.873 58.100 0.005 0.000 1.032 132 Y CB 2.615 41.088 38.460 0.021 0.000 1.284 132 Y HN -0.019 nan 8.280 nan 0.000 0.466 133 G N 0.586 109.478 108.800 0.153 0.000 2.725 133 G HA2 0.432 4.392 3.960 -0.000 0.000 0.288 133 G HA3 0.432 4.392 3.960 -0.000 0.000 0.288 133 G C -0.121 174.844 174.900 0.109 0.000 1.399 133 G CA -0.898 44.262 45.100 0.101 0.000 0.859 133 G HN 0.613 nan 8.290 nan 0.000 0.479 134 R N -0.179 120.372 120.500 0.084 0.000 2.398 134 R HA -0.289 4.051 4.340 -0.000 0.000 0.233 134 R C 1.693 178.050 176.300 0.095 0.000 1.022 134 R CA 3.125 59.272 56.100 0.078 0.000 0.855 134 R CB -0.803 29.518 30.300 0.035 0.000 0.962 134 R HN 0.611 nan 8.270 nan 0.000 0.416 135 D N -0.263 120.180 120.400 0.073 0.000 2.077 135 D HA -0.137 4.503 4.640 -0.000 0.000 0.193 135 D C 1.542 177.900 176.300 0.096 0.000 0.989 135 D CA 1.663 55.705 54.000 0.071 0.000 0.831 135 D CB -0.605 40.220 40.800 0.042 0.000 0.979 135 D HN 0.433 nan 8.370 nan 0.000 0.449 136 D N 0.700 121.164 120.400 0.107 0.000 2.170 136 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 136 D C 2.280 178.658 176.300 0.130 0.000 1.004 136 D CA 0.750 54.835 54.000 0.141 0.000 0.860 136 D CB -0.245 40.703 40.800 0.247 0.000 0.931 136 D HN 0.124 nan 8.370 nan 0.000 0.448 137 L N 0.717 122.038 121.223 0.164 0.000 1.970 137 L HA -0.179 4.160 4.340 -0.000 0.000 0.212 137 L C 2.722 179.687 176.870 0.158 0.000 1.071 137 L CA 1.238 56.180 54.840 0.170 0.000 0.751 137 L CB -0.998 41.246 42.059 0.308 0.000 0.889 137 L HN 0.062 nan 8.230 nan 0.000 0.432 138 L N -1.175 120.196 121.223 0.246 0.000 2.081 138 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 138 L C 2.707 179.640 176.870 0.104 0.000 1.080 138 L CA 1.338 56.337 54.840 0.265 0.000 0.754 138 L CB -0.639 41.535 42.059 0.191 0.000 0.893 138 L HN 0.247 nan 8.230 nan 0.000 0.433 139 R N -0.449 120.088 120.500 0.062 0.000 2.081 139 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 139 R C 2.241 178.519 176.300 -0.037 0.000 1.131 139 R CA 1.230 57.339 56.100 0.015 0.000 0.960 139 R CB -0.488 29.824 30.300 0.021 0.000 0.856 139 R HN 0.188 nan 8.270 nan 0.000 0.436 140 L N 0.661 121.846 121.223 -0.062 0.000 1.988 140 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 140 L C 2.089 178.851 176.870 -0.180 0.000 1.071 140 L CA 1.609 56.367 54.840 -0.136 0.000 0.744 140 L CB -0.426 41.536 42.059 -0.163 0.000 0.893 140 L HN -0.099 nan 8.230 nan 0.000 0.433 141 V N -0.397 119.364 119.914 -0.255 0.000 2.469 141 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 141 V C 1.608 177.597 176.094 -0.175 0.000 1.064 141 V CA 1.306 63.398 62.300 -0.347 0.000 1.066 141 V CB -0.891 30.505 31.823 -0.712 0.000 0.667 141 V HN 0.511 nan 8.190 nan 0.000 0.461 145 E N 0.498 120.665 120.200 -0.056 0.000 2.442 145 E HA -0.156 4.194 4.350 -0.000 0.000 0.256 145 E C 0.201 176.771 176.600 -0.051 0.000 1.095 145 E CA 0.439 56.815 56.400 -0.041 0.000 0.747 145 E CB -1.122 28.566 29.700 -0.020 0.000 1.310 145 E HN 0.496 nan 8.360 nan 0.000 0.396 146 A N 0.468 123.233 122.820 -0.092 0.000 2.286 146 A HA 0.289 4.609 4.320 -0.000 0.000 0.286 146 A C 0.848 178.370 177.584 -0.104 0.000 1.097 146 A CA -0.308 51.663 52.037 -0.109 0.000 0.821 146 A CB 0.508 19.403 19.000 -0.174 0.000 1.076 146 A HN 0.216 nan 8.150 nan 0.000 0.490 147 D N 0.010 120.362 120.400 -0.080 0.000 2.350 147 D HA 0.384 5.024 4.640 -0.000 0.000 0.213 147 D C 0.499 176.764 176.300 -0.059 0.000 1.031 147 D CA 1.386 55.356 54.000 -0.050 0.000 0.861 147 D CB 0.478 41.259 40.800 -0.031 0.000 0.926 147 D HN 0.708 nan 8.370 nan 0.000 0.520 148 A N 0.340 123.079 122.820 -0.136 0.000 2.483 148 A HA 0.534 4.854 4.320 -0.000 0.000 0.294 148 A C -2.214 175.190 177.584 -0.300 0.000 1.077 148 A CA -0.632 51.321 52.037 -0.140 0.000 0.633 148 A CB 1.365 20.314 19.000 -0.084 0.000 1.318 148 A HN 0.041 nan 8.150 nan 0.000 0.455 149 L N 0.200 121.268 121.223 -0.259 0.000 2.436 149 L HA 0.843 5.183 4.340 -0.000 0.000 0.268 149 L C -0.647 176.045 176.870 -0.297 0.000 0.974 149 L CA -0.186 54.426 54.840 -0.381 0.000 0.826 149 L CB 1.459 43.177 42.059 -0.568 0.000 1.291 149 L HN 1.513 nan 8.230 nan 0.000 0.406 150 A N 4.713 127.336 122.820 -0.328 0.000 2.330 150 A HA 0.743 5.063 4.320 -0.000 0.000 0.313 150 A C -1.450 175.959 177.584 -0.291 0.000 1.124 150 A CA -0.403 51.513 52.037 -0.202 0.000 0.774 150 A CB 0.695 19.664 19.000 -0.051 0.000 1.198 150 A HN 0.567 nan 8.150 nan 0.000 0.465 151 F N 3.378 123.332 119.950 0.007 0.000 2.420 151 F HA 0.394 4.921 4.527 -0.000 0.000 0.342 151 F C 1.095 176.890 175.800 -0.008 0.000 1.113 151 F CA -0.132 57.836 58.000 -0.053 0.000 1.059 151 F CB 1.411 40.384 39.000 -0.045 0.000 1.128 151 F HN 0.682 nan 8.300 nan 0.000 0.475 152 H N 1.762 120.941 119.070 0.182 0.000 2.469 152 H HA 0.688 5.244 4.556 -0.000 0.000 0.342 152 H C -1.415 173.997 175.328 0.141 0.000 1.115 152 H CA -1.002 55.112 56.048 0.110 0.000 1.204 152 H CB 1.640 31.416 29.762 0.022 0.000 1.492 152 H HN 0.546 nan 8.280 nan 0.000 0.499 153 V N 3.783 123.851 119.914 0.257 0.000 2.630 153 V HA 0.330 4.450 4.120 -0.000 0.000 0.305 153 V C -0.669 175.540 176.094 0.193 0.000 1.046 153 V CA -0.621 61.826 62.300 0.245 0.000 0.934 153 V CB 1.503 33.415 31.823 0.149 0.000 1.003 153 V HN 1.065 nan 8.190 nan 0.000 0.451 154 N N 5.228 124.008 118.700 0.133 0.000 2.820 154 N HA 0.167 4.907 4.740 -0.000 0.000 0.209 154 N C -2.511 172.891 175.510 -0.180 0.000 1.406 154 N CA -0.612 52.445 53.050 0.012 0.000 0.916 154 N CB 0.926 39.484 38.487 0.119 0.000 1.532 154 N HN 0.409 nan 8.380 nan 0.000 0.559 155 P HA -0.165 nan 4.420 nan 0.000 0.215 155 P C 1.625 178.776 177.300 -0.249 0.000 1.153 155 P CA 0.446 63.092 63.100 -0.757 0.000 0.853 155 P CB 0.829 31.988 31.700 -0.902 0.000 0.788 156 L N -0.136 120.948 121.223 -0.233 0.000 2.046 156 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 156 L C 2.841 179.625 176.870 -0.143 0.000 1.077 156 L CA 1.964 56.684 54.840 -0.200 0.000 0.747 156 L CB -0.882 40.978 42.059 -0.330 0.000 0.896 156 L HN 0.058 nan 8.230 nan 0.000 0.432 157 Q N -0.379 119.346 119.800 -0.126 0.000 2.020 157 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 157 Q C 1.889 177.952 176.000 0.105 0.000 0.982 157 Q CA 1.747 57.574 55.803 0.040 0.000 0.838 157 Q CB 0.030 28.845 28.738 0.127 0.000 0.899 157 Q HN 0.416 nan 8.270 nan 0.000 0.423 158 E N 0.252 120.530 120.200 0.130 0.000 2.160 158 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 158 E C 1.784 178.467 176.600 0.139 0.000 0.991 158 E CA 1.030 57.539 56.400 0.183 0.000 0.810 158 E CB -0.249 29.648 29.700 0.328 0.000 0.742 158 E HN 0.499 nan 8.360 nan 0.000 0.466 159 A N 0.962 123.836 122.820 0.092 0.000 1.841 159 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 159 A C 2.622 180.245 177.584 0.065 0.000 1.195 159 A CA 1.593 53.669 52.037 0.066 0.000 0.611 159 A CB -0.807 18.206 19.000 0.023 0.000 0.835 159 A HN 0.137 nan 8.150 nan 0.000 0.443 160 V N 0.477 120.429 119.914 0.063 0.000 2.392 160 V HA -0.324 3.796 4.120 -0.000 0.000 0.249 160 V C 2.736 178.892 176.094 0.104 0.000 1.059 160 V CA 2.350 64.703 62.300 0.088 0.000 1.051 160 V CB -0.929 30.956 31.823 0.103 0.000 0.658 160 V HN 0.791 nan 8.190 nan 0.000 0.455 161 Q N 0.274 120.144 119.800 0.117 0.000 2.167 161 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 161 Q C 0.521 176.575 176.000 0.090 0.000 0.970 161 Q CA 0.953 56.829 55.803 0.122 0.000 0.855 161 Q CB 0.175 29.018 28.738 0.175 0.000 0.911 161 Q HN 0.593 nan 8.270 nan 0.000 0.438 162 R N -0.862 119.691 120.500 0.088 0.000 3.390 162 R HA -0.115 4.225 4.340 -0.000 0.000 0.280 162 R C 0.064 176.407 176.300 0.071 0.000 1.126 162 R CA 0.350 56.492 56.100 0.071 0.000 0.757 162 R CB -2.337 27.994 30.300 0.052 0.000 1.296 162 R HN 0.471 nan 8.270 nan 0.000 0.431 163 G N 0.094 108.947 108.800 0.089 0.000 2.782 163 G HA2 0.271 4.231 3.960 -0.000 0.000 0.201 163 G HA3 0.271 4.231 3.960 -0.000 0.000 0.201 163 G C -0.553 174.387 174.900 0.066 0.000 1.374 163 G CA -0.275 44.871 45.100 0.077 0.000 1.039 163 G HN 0.150 nan 8.290 nan 0.000 0.576 164 D N -0.314 120.108 120.400 0.036 0.000 2.426 164 D HA 0.120 4.760 4.640 -0.000 0.000 0.261 164 D C 0.798 177.110 176.300 0.020 0.000 1.245 164 D CA 0.388 54.378 54.000 -0.016 0.000 0.917 164 D CB 0.811 41.555 40.800 -0.093 0.000 1.123 164 D HN 0.139 nan 8.370 nan 0.000 0.508 165 T N 2.651 117.241 114.554 0.060 0.000 3.145 165 T HA 0.027 4.377 4.350 -0.000 0.000 0.255 165 T C -0.305 174.506 174.700 0.185 0.000 1.039 165 T CA -0.445 61.762 62.100 0.178 0.000 0.928 165 T CB -0.099 68.848 68.868 0.131 0.000 1.029 165 T HN 0.296 nan 8.240 nan 0.000 0.554 166 D N 0.311 120.707 120.400 -0.008 0.000 2.427 166 D HA 0.268 4.908 4.640 -0.000 0.000 0.226 166 D C -0.349 175.837 176.300 -0.190 0.000 1.076 166 D CA -0.666 53.324 54.000 -0.016 0.000 0.849 166 D CB 0.250 41.021 40.800 -0.048 0.000 1.052 166 D HN 0.184 nan 8.370 nan 0.000 0.515 167 F N 2.116 122.065 119.950 -0.001 0.000 2.708 167 F HA 0.321 4.848 4.527 -0.000 0.000 0.300 167 F C 1.108 176.901 175.800 -0.012 0.000 1.118 167 F CA -0.666 57.330 58.000 -0.007 0.000 1.307 167 F CB 0.320 39.319 39.000 -0.002 0.000 0.986 167 F HN 0.015 nan 8.300 nan 0.000 0.522 168 R N 0.067 120.619 120.500 0.087 0.000 2.491 168 R HA 0.313 4.653 4.340 -0.000 0.000 0.283 168 R C 1.333 177.645 176.300 0.019 0.000 1.072 168 R CA 0.614 56.746 56.100 0.053 0.000 1.048 168 R CB 0.371 30.689 30.300 0.031 0.000 0.983 168 R HN 0.411 nan 8.270 nan 0.000 0.450 169 G N 2.580 111.392 108.800 0.019 0.000 2.361 169 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.294 169 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.294 169 G C 0.442 175.330 174.900 -0.020 0.000 1.004 169 G CA 0.231 45.330 45.100 -0.001 0.000 0.870 169 G HN 0.469 nan 8.290 nan 0.000 0.510 170 L N -0.577 120.640 121.223 -0.011 0.000 2.209 170 L HA 0.090 4.430 4.340 -0.000 0.000 0.207 170 L C 2.908 179.738 176.870 -0.067 0.000 1.094 170 L CA 1.451 56.261 54.840 -0.050 0.000 0.790 170 L CB -0.236 41.806 42.059 -0.028 0.000 0.932 170 L HN 0.227 nan 8.230 nan 0.000 0.447 171 V N 0.156 120.053 119.914 -0.029 0.000 2.343 171 V HA -0.212 3.908 4.120 -0.000 0.000 0.247 171 V C 2.507 178.573 176.094 -0.047 0.000 1.051 171 V CA 1.758 64.037 62.300 -0.035 0.000 1.036 171 V CB -0.776 31.044 31.823 -0.005 0.000 0.654 171 V HN 0.539 nan 8.190 nan 0.000 0.451 172 E N 1.078 121.256 120.200 -0.037 0.000 2.076 172 E HA -0.221 4.129 4.350 -0.000 0.000 0.190 172 E C 2.219 178.788 176.600 -0.051 0.000 0.979 172 E CA 0.911 57.290 56.400 -0.035 0.000 0.807 172 E CB -0.562 29.124 29.700 -0.023 0.000 0.761 172 E HN 0.529 nan 8.360 nan 0.000 0.454 173 R N 0.495 120.958 120.500 -0.062 0.000 2.170 173 R HA -0.138 4.201 4.340 -0.000 0.000 0.242 173 R C 2.335 178.574 176.300 -0.100 0.000 1.145 173 R CA 1.083 57.139 56.100 -0.073 0.000 0.984 173 R CB -0.160 30.091 30.300 -0.080 0.000 0.869 173 R HN 0.218 nan 8.270 nan 0.000 0.455 174 L N -0.321 120.820 121.223 -0.136 0.000 2.084 174 L HA 0.162 4.501 4.340 -0.000 0.000 0.202 174 L C 2.215 179.034 176.870 -0.085 0.000 1.074 174 L CA 1.865 56.602 54.840 -0.173 0.000 0.757 174 L CB -0.739 41.167 42.059 -0.254 0.000 0.918 174 L HN 0.135 nan 8.230 nan 0.000 0.444 175 A N 0.384 123.167 122.820 -0.062 0.000 1.915 175 A HA -0.344 3.975 4.320 -0.000 0.000 0.220 175 A C 2.129 179.697 177.584 -0.027 0.000 1.198 175 A CA 2.562 54.580 52.037 -0.033 0.000 0.647 175 A CB -1.015 17.971 19.000 -0.025 0.000 0.825 175 A HN 0.761 nan 8.150 nan 0.000 0.456 176 E N 0.237 120.418 120.200 -0.031 0.000 2.005 176 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 176 E C 1.644 178.229 176.600 -0.025 0.000 0.987 176 E CA 1.300 57.684 56.400 -0.025 0.000 0.814 176 E CB -0.851 28.834 29.700 -0.025 0.000 0.772 176 E HN 0.736 nan 8.360 nan 0.000 0.453 177 L N 0.579 121.786 121.223 -0.027 0.000 2.821 177 L HA 0.090 4.430 4.340 -0.000 0.000 0.254 177 L C 1.555 178.416 176.870 -0.016 0.000 1.151 177 L CA 0.448 55.276 54.840 -0.019 0.000 0.937 177 L CB -0.274 41.779 42.059 -0.010 0.000 1.141 177 L HN 0.149 nan 8.230 nan 0.000 0.425 178 L N 1.133 122.345 121.223 -0.019 0.000 1.848 178 L HA 0.162 4.502 4.340 -0.000 0.000 0.225 178 L C -0.941 175.909 176.870 -0.033 0.000 1.106 178 L CA 0.643 55.478 54.840 -0.009 0.000 0.906 178 L CB -1.726 40.330 42.059 -0.004 0.000 0.914 178 L HN 0.311 nan 8.230 nan 0.000 0.476 179 P HA -0.175 nan 4.420 nan 0.000 0.035 179 P C -0.956 176.274 177.300 -0.117 0.000 0.507 179 P CA 0.681 63.743 63.100 -0.063 0.000 1.047 179 P CB -0.561 31.109 31.700 -0.049 0.000 1.842 180 L N 4.594 125.707 121.223 -0.183 0.000 2.375 180 L HA 0.388 4.728 4.340 -0.000 0.000 0.268 180 L C -0.657 175.922 176.870 -0.486 0.000 1.058 180 L CA -1.956 52.648 54.840 -0.392 0.000 0.803 180 L CB 0.254 41.973 42.059 -0.567 0.000 1.212 180 L HN 0.079 nan 8.230 nan 0.000 0.451 181 P HA -0.139 nan 4.420 nan 0.000 0.219 181 P C -0.383 176.747 177.300 -0.283 0.000 1.146 181 P CA 1.316 64.187 63.100 -0.383 0.000 0.808 181 P CB -0.072 31.465 31.700 -0.273 0.000 0.779 182 F N -0.549 119.391 119.950 -0.016 0.000 2.538 182 F HA 0.746 5.273 4.527 -0.000 0.000 0.325 182 F C -2.746 173.033 175.800 -0.035 0.000 1.066 182 F CA -4.379 53.602 58.000 -0.032 0.000 0.946 182 F CB -0.689 38.286 39.000 -0.041 0.000 1.199 182 F HN -0.338 nan 8.300 nan 0.000 0.473 183 P HA 0.182 nan 4.420 nan 0.000 0.268 183 P C -0.642 176.755 177.300 0.163 0.000 1.204 183 P CA 0.062 63.218 63.100 0.094 0.000 0.768 183 P CB 1.821 33.511 31.700 -0.017 0.000 0.842 187 K N 1.539 122.026 120.400 0.145 0.000 2.533 187 K HA 0.913 5.233 4.320 -0.000 0.000 0.272 187 K C -0.889 175.791 176.600 0.134 0.000 0.985 187 K CA -0.873 55.485 56.287 0.119 0.000 0.876 187 K CB 3.205 35.766 32.500 0.101 0.000 1.452 187 K HN 0.597 nan 8.250 nan 0.000 0.439 188 E N 0.106 120.368 120.200 0.102 0.000 2.518 188 E HA 0.324 4.674 4.350 -0.000 0.000 0.248 188 E C -0.309 176.334 176.600 0.072 0.000 1.028 188 E CA -0.633 55.831 56.400 0.106 0.000 0.922 188 E CB 1.692 31.455 29.700 0.105 0.000 1.299 188 E HN 0.507 nan 8.360 nan 0.000 0.457 189 V N -1.296 118.662 119.914 0.073 0.000 3.006 189 V HA 0.645 4.765 4.120 -0.000 0.000 0.357 189 V C 0.701 176.915 176.094 0.200 0.000 1.377 189 V CA 0.288 62.584 62.300 -0.007 0.000 1.198 189 V CB -0.174 31.491 31.823 -0.263 0.000 1.216 189 V HN 0.904 nan 8.190 nan 0.000 0.520 190 G N 0.578 109.514 108.800 0.227 0.000 2.227 190 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.168 190 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.168 190 G C 0.242 175.234 174.900 0.153 0.000 1.006 190 G CA 0.286 45.535 45.100 0.248 0.000 0.684 190 G HN 0.634 nan 8.290 nan 0.000 0.489 191 H N 0.308 119.507 119.070 0.214 0.000 2.705 191 H HA 0.500 5.055 4.556 -0.000 0.000 0.269 191 H C 1.452 176.839 175.328 0.097 0.000 0.998 191 H CA 1.327 57.495 56.048 0.200 0.000 1.193 191 H CB 0.975 30.844 29.762 0.179 0.000 1.485 191 H HN 1.380 nan 8.280 nan 0.000 0.521 192 G N 0.442 109.331 108.800 0.150 0.000 2.716 192 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.686 192 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.686 192 G C -0.939 174.004 174.900 0.072 0.000 1.337 192 G CA -0.709 44.440 45.100 0.081 0.000 0.829 192 G HN 0.193 nan 8.290 nan 0.000 0.599 193 L N 1.813 123.066 121.223 0.049 0.000 2.287 193 L HA 0.581 4.921 4.340 -0.000 0.000 0.287 193 L C 1.287 178.175 176.870 0.029 0.000 1.022 193 L CA -0.424 54.440 54.840 0.040 0.000 0.814 193 L CB 1.645 43.729 42.059 0.041 0.000 1.217 193 L HN 0.984 nan 8.230 nan 0.000 0.420 194 S N 2.952 118.667 115.700 0.025 0.000 2.634 194 S HA 0.210 4.680 4.470 -0.000 0.000 0.261 194 S C 1.185 175.795 174.600 0.017 0.000 1.271 194 S CA -0.441 57.771 58.200 0.019 0.000 0.985 194 S CB 1.005 64.216 63.200 0.018 0.000 0.968 194 S HN 0.812 nan 8.310 nan 0.000 0.568 195 R N 0.835 121.343 120.500 0.014 0.000 2.092 195 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 195 R C 1.629 177.937 176.300 0.013 0.000 1.119 195 R CA 1.603 57.710 56.100 0.012 0.000 0.970 195 R CB -0.685 29.621 30.300 0.010 0.000 0.864 195 R HN 0.803 nan 8.270 nan 0.000 0.440 196 E N 1.417 121.624 120.200 0.012 0.000 2.150 196 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 196 E C 2.030 178.639 176.600 0.014 0.000 0.985 196 E CA 1.263 57.670 56.400 0.012 0.000 0.814 196 E CB -0.369 29.338 29.700 0.010 0.000 0.752 196 E HN 0.520 nan 8.360 nan 0.000 0.466 197 A N 2.010 124.839 122.820 0.015 0.000 1.933 197 A HA 0.034 4.354 4.320 -0.000 0.000 0.218 197 A C 2.500 180.097 177.584 0.023 0.000 1.175 197 A CA 2.027 54.075 52.037 0.018 0.000 0.628 197 A CB -0.606 18.406 19.000 0.020 0.000 0.814 197 A HN 0.341 nan 8.150 nan 0.000 0.444 198 A N -0.449 122.384 122.820 0.022 0.000 1.969 198 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 198 A C 2.109 179.706 177.584 0.022 0.000 1.169 198 A CA 1.250 53.301 52.037 0.024 0.000 0.635 198 A CB -0.484 18.528 19.000 0.020 0.000 0.810 198 A HN 0.470 nan 8.150 nan 0.000 0.445 199 L N -0.862 120.372 121.223 0.018 0.000 2.056 199 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 199 L C 2.926 179.806 176.870 0.017 0.000 1.078 199 L CA 0.988 55.838 54.840 0.017 0.000 0.749 199 L CB -0.448 41.619 42.059 0.014 0.000 0.901 199 L HN 0.409 nan 8.230 nan 0.000 0.433 200 A N -0.600 122.230 122.820 0.017 0.000 2.172 200 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 200 A C 2.055 179.650 177.584 0.019 0.000 1.154 200 A CA 1.085 53.132 52.037 0.017 0.000 0.701 200 A CB -0.336 18.674 19.000 0.017 0.000 0.789 200 A HN 0.435 nan 8.150 nan 0.000 0.465 201 L N -2.351 118.887 121.223 0.024 0.000 2.701 201 L HA 0.169 4.509 4.340 -0.000 0.000 0.238 201 L C 2.267 179.155 176.870 0.030 0.000 1.106 201 L CA 0.116 54.973 54.840 0.029 0.000 0.898 201 L CB -0.199 41.884 42.059 0.039 0.000 1.188 201 L HN 0.389 nan 8.230 nan 0.000 0.508 202 R N 0.829 121.345 120.500 0.027 0.000 2.185 202 R HA -0.214 4.126 4.340 -0.000 0.000 0.247 202 R C 1.231 177.547 176.300 0.027 0.000 1.159 202 R CA 1.880 57.997 56.100 0.029 0.000 0.988 202 R CB 0.075 30.390 30.300 0.025 0.000 0.871 202 R HN 0.308 nan 8.270 nan 0.000 0.458 203 D N -0.326 120.087 120.400 0.021 0.000 2.271 203 D HA 0.011 4.651 4.640 -0.000 0.000 0.206 203 D C -0.015 176.295 176.300 0.017 0.000 0.967 203 D CA 0.354 54.364 54.000 0.017 0.000 0.867 203 D CB 0.068 40.876 40.800 0.012 0.000 0.960 203 D HN 0.039 nan 8.370 nan 0.000 0.509 204 L N 2.645 123.879 121.223 0.018 0.000 2.453 204 L HA 0.150 4.490 4.340 -0.000 0.000 0.272 204 L C -1.798 175.088 176.870 0.027 0.000 1.182 204 L CA -0.949 53.902 54.840 0.019 0.000 0.858 204 L CB -0.292 41.779 42.059 0.021 0.000 1.120 204 L HN -0.090 nan 8.230 nan 0.000 0.474 205 P HA 0.153 nan 4.420 nan 0.000 0.231 205 P C -0.517 176.804 177.300 0.036 0.000 1.811 205 P CA -0.119 62.995 63.100 0.024 0.000 1.051 205 P CB -0.012 31.695 31.700 0.011 0.000 1.951 206 L N 1.279 122.532 121.223 0.049 0.000 2.439 206 L HA 0.364 4.704 4.340 -0.000 0.000 0.261 206 L C 1.830 178.732 176.870 0.054 0.000 1.153 206 L CA -0.561 54.318 54.840 0.065 0.000 0.808 206 L CB 0.661 42.768 42.059 0.080 0.000 1.126 206 L HN 0.109 nan 8.230 nan 0.000 0.460 207 A N 1.646 124.496 122.820 0.049 0.000 2.030 207 A HA 0.551 4.871 4.320 -0.000 0.000 0.215 207 A C 0.744 178.351 177.584 0.039 0.000 1.164 207 A CA 1.087 53.132 52.037 0.013 0.000 0.697 207 A CB -0.009 18.970 19.000 -0.036 0.000 0.827 207 A HN 0.827 nan 8.150 nan 0.000 0.457 208 A N -2.563 120.310 122.820 0.089 0.000 2.515 208 A HA 0.565 4.885 4.320 -0.000 0.000 0.292 208 A C -1.549 176.126 177.584 0.150 0.000 1.065 208 A CA -0.151 51.985 52.037 0.164 0.000 0.641 208 A CB 0.275 19.469 19.000 0.324 0.000 1.306 208 A HN 0.649 nan 8.150 nan 0.000 0.441 209 V N 0.701 120.702 119.914 0.146 0.000 2.925 209 V HA 0.628 4.748 4.120 -0.000 0.000 0.311 209 V C -1.483 174.665 176.094 0.090 0.000 1.104 209 V CA -0.389 61.977 62.300 0.110 0.000 0.954 209 V CB 2.172 34.044 31.823 0.081 0.000 1.022 209 V HN 0.950 nan 8.190 nan 0.000 0.427 210 D N 1.726 122.172 120.400 0.077 0.000 2.453 210 D HA 0.376 5.016 4.640 -0.000 0.000 0.238 210 D C 0.767 177.093 176.300 0.044 0.000 1.088 210 D CA -0.284 53.744 54.000 0.047 0.000 0.854 210 D CB 1.936 42.763 40.800 0.046 0.000 1.076 210 D HN 0.357 nan 8.370 nan 0.000 0.533 211 V N 2.501 122.431 119.914 0.028 0.000 2.626 211 V HA 0.084 4.204 4.120 -0.000 0.000 0.252 211 V C 1.372 177.487 176.094 0.035 0.000 1.067 211 V CA 0.727 63.045 62.300 0.029 0.000 1.081 211 V CB -1.425 30.405 31.823 0.012 0.000 0.686 211 V HN 0.804 nan 8.190 nan 0.000 0.468 212 A N 0.743 123.581 122.820 0.030 0.000 2.049 212 A HA -0.005 4.315 4.320 -0.000 0.000 0.263 212 A C 0.936 178.552 177.584 0.052 0.000 1.316 212 A CA 0.769 52.833 52.037 0.044 0.000 0.759 212 A CB -1.937 17.099 19.000 0.059 0.000 1.141 212 A HN 1.573 nan 8.150 nan 0.000 0.325 213 G N -0.346 108.463 108.800 0.015 0.000 2.563 213 G HA2 0.741 4.701 3.960 -0.000 0.000 0.283 213 G HA3 0.741 4.701 3.960 -0.000 0.000 0.283 213 G C 0.485 175.340 174.900 -0.075 0.000 1.309 213 G CA 0.019 45.109 45.100 -0.016 0.000 1.022 213 G HN 1.989 nan 8.290 nan 0.000 0.501 214 A N -1.967 120.733 122.820 -0.201 0.000 2.332 214 A HA 0.638 4.958 4.320 -0.000 0.000 0.258 214 A C 1.250 178.458 177.584 -0.627 0.000 1.087 214 A CA 0.900 52.581 52.037 -0.594 0.000 0.802 214 A CB 0.451 18.991 19.000 -0.766 0.000 1.042 214 A HN 2.336 nan 8.150 nan 0.000 0.489 215 G N -0.330 107.913 108.800 -0.927 0.000 2.545 215 G HA2 0.081 4.041 3.960 -0.000 0.000 0.195 215 G HA3 0.081 4.041 3.960 -0.000 0.000 0.195 215 G C 0.831 175.660 174.900 -0.118 0.000 1.009 215 G CA 0.556 45.406 45.100 -0.417 0.000 0.703 215 G HN 1.644 nan 8.290 nan 0.000 0.479 216 G N -0.185 108.614 108.800 -0.002 0.000 3.387 216 G HA2 0.481 4.441 3.960 -0.000 0.000 0.195 216 G HA3 0.481 4.441 3.960 -0.000 0.000 0.195 216 G C 0.573 175.673 174.900 0.333 0.000 1.853 216 G CA 1.111 46.264 45.100 0.089 0.000 0.879 216 G HN 1.167 nan 8.290 nan 0.000 0.651 217 T N -0.594 114.134 114.554 0.290 0.000 2.832 217 T HA 0.424 4.774 4.350 -0.000 0.000 0.296 217 T C 0.072 174.762 174.700 -0.018 0.000 0.968 217 T CA 0.121 62.268 62.100 0.077 0.000 1.107 217 T CB 0.896 69.760 68.868 -0.007 0.000 0.916 217 T HN 0.495 nan 8.240 nan 0.000 0.517 218 S N 4.392 119.841 115.700 -0.419 0.000 2.404 218 S HA 0.237 4.707 4.470 -0.000 0.000 0.309 218 S C 0.586 175.028 174.600 -0.264 0.000 1.076 218 S CA -0.860 56.920 58.200 -0.701 0.000 1.095 218 S CB -0.079 62.343 63.200 -1.297 0.000 0.972 218 S HN 0.898 nan 8.310 nan 0.000 0.484 219 W N 3.703 125.072 121.300 0.115 0.000 2.611 219 W HA 0.093 4.753 4.660 -0.000 0.000 0.251 219 W C 2.249 178.865 176.519 0.162 0.000 1.265 219 W CA 0.659 58.103 57.345 0.166 0.000 1.295 219 W CB -0.172 29.404 29.460 0.194 0.000 1.129 219 W HN 0.903 nan 8.180 nan 0.000 0.630 220 A N 0.163 123.200 122.820 0.362 0.000 1.929 220 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 220 A C 2.027 179.683 177.584 0.121 0.000 1.176 220 A CA 1.147 53.306 52.037 0.205 0.000 0.628 220 A CB -0.439 18.689 19.000 0.213 0.000 0.816 220 A HN 0.247 nan 8.150 nan 0.000 0.444 221 R N -0.583 119.929 120.500 0.020 0.000 2.066 221 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 221 R C 2.015 178.316 176.300 0.002 0.000 1.131 221 R CA 1.399 57.502 56.100 0.006 0.000 0.955 221 R CB -0.576 29.662 30.300 -0.102 0.000 0.851 221 R HN 0.362 nan 8.270 nan 0.000 0.432 222 V N 1.234 121.034 119.914 -0.190 0.000 2.392 222 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 222 V C 2.131 178.147 176.094 -0.131 0.000 1.059 222 V CA 1.915 64.022 62.300 -0.321 0.000 1.051 222 V CB -0.435 30.862 31.823 -0.876 0.000 0.658 222 V HN 0.259 nan 8.190 nan 0.000 0.455 223 E N 0.209 120.409 120.200 -0.001 0.000 2.047 223 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 223 E C 2.293 178.926 176.600 0.054 0.000 0.987 223 E CA 1.297 57.727 56.400 0.049 0.000 0.799 223 E CB -0.197 29.604 29.700 0.169 0.000 0.752 223 E HN 0.613 nan 8.360 nan 0.000 0.449 224 E N -0.655 119.634 120.200 0.149 0.000 2.106 224 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 224 E C 1.788 178.525 176.600 0.228 0.000 0.984 224 E CA 0.562 57.117 56.400 0.258 0.000 0.806 224 E CB -0.338 29.582 29.700 0.366 0.000 0.750 224 E HN 0.452 nan 8.360 nan 0.000 0.458 225 W N 1.386 122.695 121.300 0.015 0.000 2.374 225 W HA -0.154 4.506 4.660 -0.000 0.000 0.288 225 W C 1.670 178.144 176.519 -0.075 0.000 1.218 225 W CA 1.008 58.342 57.345 -0.019 0.000 1.245 225 W CB 0.049 29.459 29.460 -0.084 0.000 1.126 225 W HN -0.116 nan 8.180 nan 0.000 0.545 226 V N 0.966 120.934 119.914 0.089 0.000 2.667 226 V HA -0.201 3.919 4.120 -0.000 0.000 0.252 226 V C 2.329 178.338 176.094 -0.142 0.000 1.065 226 V CA 1.703 63.982 62.300 -0.035 0.000 1.083 226 V CB -0.602 31.108 31.823 -0.188 0.000 0.692 226 V HN 0.078 nan 8.190 nan 0.000 0.468 227 R N -1.180 119.157 120.500 -0.272 0.000 2.140 227 R HA 0.141 4.481 4.340 -0.000 0.000 0.213 227 R C 1.588 177.445 176.300 -0.740 0.000 1.059 227 R CA 1.091 56.840 56.100 -0.586 0.000 1.000 227 R CB 0.025 29.773 30.300 -0.919 0.000 0.910 227 R HN 0.541 nan 8.270 nan 0.000 0.455 228 F N -1.708 118.163 119.950 -0.131 0.000 2.767 228 F HA 0.366 4.893 4.527 -0.000 0.000 0.323 228 F C 1.255 176.856 175.800 -0.332 0.000 1.091 228 F CA 0.109 57.996 58.000 -0.187 0.000 1.192 228 F CB 1.074 39.972 39.000 -0.171 0.000 1.056 228 F HN 0.077 nan 8.300 nan 0.000 0.571 229 G N 1.501 110.083 108.800 -0.362 0.000 2.143 229 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.248 229 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.248 229 G C -0.127 173.989 174.900 -1.306 0.000 0.991 229 G CA 0.475 45.118 45.100 -0.762 0.000 0.689 229 G HN 0.540 nan 8.290 nan 0.000 0.522 230 E N -2.356 117.255 120.200 -0.982 0.000 2.392 230 E HA 0.456 4.806 4.350 -0.000 0.000 0.281 230 E C -1.021 175.449 176.600 -0.216 0.000 1.088 230 E CA -1.198 54.726 56.400 -0.793 0.000 0.850 230 E CB 1.044 30.457 29.700 -0.478 0.000 1.267 230 E HN 0.376 nan 8.360 nan 0.000 0.438 231 V N 2.800 122.695 119.914 -0.033 0.000 2.372 231 V HA 0.182 4.302 4.120 -0.000 0.000 0.261 231 V C 1.202 177.228 176.094 -0.115 0.000 1.055 231 V CA -0.192 62.138 62.300 0.049 0.000 0.930 231 V CB 0.251 32.153 31.823 0.131 0.000 1.031 231 V HN 0.647 nan 8.190 nan 0.000 0.479 232 R N 2.211 122.545 120.500 -0.276 0.000 2.161 232 R HA 0.084 4.424 4.340 -0.000 0.000 0.213 232 R C 0.202 176.122 176.300 -0.633 0.000 1.055 232 R CA 0.664 56.418 56.100 -0.577 0.000 0.996 232 R CB 0.170 29.841 30.300 -1.049 0.000 0.901 232 R HN 0.720 nan 8.270 nan 0.000 0.456 233 H N 0.694 119.713 119.070 -0.085 0.000 2.317 233 H HA 0.176 4.732 4.556 -0.000 0.000 0.231 233 H C -1.823 173.510 175.328 0.008 0.000 1.442 233 H CA -1.919 54.110 56.048 -0.033 0.000 1.336 233 H CB 1.026 30.782 29.762 -0.011 0.000 1.533 233 H HN 0.053 nan 8.280 nan 0.000 0.522 234 P HA -0.261 nan 4.420 nan 0.000 0.214 234 P C 1.543 178.896 177.300 0.089 0.000 1.169 234 P CA 1.349 64.487 63.100 0.064 0.000 0.908 234 P CB 0.651 32.372 31.700 0.034 0.000 0.791 235 E N -0.699 119.553 120.200 0.086 0.000 2.118 235 E HA -0.153 4.196 4.350 -0.000 0.000 0.195 235 E C 2.141 178.806 176.600 0.109 0.000 0.992 235 E CA 0.487 56.942 56.400 0.091 0.000 0.804 235 E CB -0.458 29.286 29.700 0.072 0.000 0.741 235 E HN 0.015 nan 8.360 nan 0.000 0.458 236 L N 0.640 121.933 121.223 0.117 0.000 2.083 236 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 236 L C 1.853 178.801 176.870 0.130 0.000 1.083 236 L CA 1.462 56.365 54.840 0.106 0.000 0.752 236 L CB -0.749 41.364 42.059 0.089 0.000 0.899 236 L HN 0.407 nan 8.230 nan 0.000 0.433 237 C N -0.020 119.366 119.300 0.143 0.000 2.576 237 C HA 0.080 4.540 4.460 -0.000 0.000 0.267 237 C C 2.026 177.119 174.990 0.172 0.000 1.364 237 C CA -0.366 58.746 59.018 0.156 0.000 1.723 237 C CB -0.621 27.179 27.740 0.100 0.000 1.778 237 C HN 0.459 nan 8.230 nan 0.000 0.572 238 E N 0.879 121.202 120.200 0.205 0.000 2.479 238 E HA 0.226 4.576 4.350 -0.000 0.000 0.193 238 E C 0.481 177.295 176.600 0.356 0.000 1.049 238 E CA 0.046 56.644 56.400 0.330 0.000 0.870 238 E CB 0.112 29.954 29.700 0.237 0.000 0.944 238 E HN 0.661 nan 8.360 nan 0.000 0.492 239 I N 1.468 122.218 120.570 0.300 0.000 2.683 239 I HA 0.118 4.287 4.170 -0.000 0.000 0.286 239 I C 0.933 177.255 176.117 0.342 0.000 1.175 239 I CA 0.633 62.083 61.300 0.251 0.000 1.429 239 I CB 0.421 38.530 38.000 0.182 0.000 1.371 239 I HN 0.002 nan 8.210 nan 0.000 0.569 240 G N 5.935 114.854 108.800 0.198 0.000 2.320 240 G HA2 0.350 4.310 3.960 -0.000 0.000 0.297 240 G HA3 0.350 4.310 3.960 -0.000 0.000 0.297 240 G C -1.774 173.156 174.900 0.051 0.000 1.344 240 G CA -0.880 44.321 45.100 0.167 0.000 0.851 240 G HN 0.260 nan 8.290 nan 0.000 0.567 241 I N 1.921 122.508 120.570 0.029 0.000 2.330 241 I HA 0.401 4.571 4.170 -0.000 0.000 0.289 241 I C -2.084 173.999 176.117 -0.057 0.000 1.001 241 I CA -2.296 59.001 61.300 -0.005 0.000 1.193 241 I CB 1.836 39.844 38.000 0.014 0.000 1.345 241 I HN 0.092 nan 8.210 nan 0.000 0.461 242 P HA 0.042 nan 4.420 nan 0.000 0.264 242 P C 0.858 178.115 177.300 -0.072 0.000 1.183 242 P CA 0.227 63.258 63.100 -0.116 0.000 0.763 242 P CB 0.417 32.069 31.700 -0.080 0.000 0.807 243 T N 2.391 116.889 114.554 -0.092 0.000 2.680 243 T HA -0.302 4.048 4.350 -0.000 0.000 0.268 243 T C 1.730 176.409 174.700 -0.037 0.000 1.033 243 T CA 2.258 64.322 62.100 -0.059 0.000 1.152 243 T CB -0.632 68.193 68.868 -0.072 0.000 0.859 243 T HN 0.492 nan 8.240 nan 0.000 0.452 244 A N 1.682 124.493 122.820 -0.016 0.000 1.877 244 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 244 A C 2.422 180.014 177.584 0.013 0.000 1.186 244 A CA 1.220 53.260 52.037 0.005 0.000 0.620 244 A CB -0.406 18.679 19.000 0.142 0.000 0.822 244 A HN 0.203 nan 8.150 nan 0.000 0.443 245 R N -0.364 120.158 120.500 0.037 0.000 2.081 245 R HA -0.087 4.253 4.340 -0.000 0.000 0.235 245 R C 2.434 178.738 176.300 0.008 0.000 1.131 245 R CA 1.465 57.586 56.100 0.034 0.000 0.960 245 R CB -1.214 29.101 30.300 0.026 0.000 0.856 245 R HN 0.540 nan 8.270 nan 0.000 0.436 246 A N 1.071 123.889 122.820 -0.003 0.000 1.902 246 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 246 A C 2.335 179.912 177.584 -0.011 0.000 1.181 246 A CA 1.255 53.290 52.037 -0.004 0.000 0.623 246 A CB -0.510 18.488 19.000 -0.003 0.000 0.818 246 A HN 0.210 nan 8.150 nan 0.000 0.443 247 I N -0.319 120.234 120.570 -0.027 0.000 2.099 247 I HA -0.298 3.872 4.170 -0.000 0.000 0.239 247 I C 2.478 178.570 176.117 -0.042 0.000 1.066 247 I CA 1.422 62.698 61.300 -0.041 0.000 1.324 247 I CB -0.505 37.453 38.000 -0.070 0.000 1.037 247 I HN 0.307 nan 8.210 nan 0.000 0.401 248 L N 0.271 121.466 121.223 -0.046 0.000 1.989 248 L HA -0.254 4.085 4.340 -0.000 0.000 0.211 248 L C 2.598 179.457 176.870 -0.018 0.000 1.071 248 L CA 1.678 56.496 54.840 -0.036 0.000 0.749 248 L CB -0.717 41.332 42.059 -0.016 0.000 0.890 248 L HN 0.282 nan 8.230 nan 0.000 0.431 249 E N -0.408 119.788 120.200 -0.006 0.000 2.051 249 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 249 E C 2.270 178.868 176.600 -0.003 0.000 0.991 249 E CA 1.452 57.852 56.400 -0.000 0.000 0.799 249 E CB -0.065 29.639 29.700 0.007 0.000 0.748 249 E HN 0.259 nan 8.360 nan 0.000 0.449 250 V N 1.002 120.914 119.914 -0.003 0.000 2.307 250 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 250 V C 2.388 178.476 176.094 -0.009 0.000 1.045 250 V CA 1.976 64.277 62.300 0.001 0.000 1.024 250 V CB -0.469 31.359 31.823 0.007 0.000 0.651 250 V HN 0.154 nan 8.190 nan 0.000 0.449 251 R N 1.098 121.586 120.500 -0.020 0.000 2.096 251 R HA -0.264 4.076 4.340 -0.000 0.000 0.240 251 R C 2.218 178.492 176.300 -0.044 0.000 1.139 251 R CA 2.347 58.426 56.100 -0.036 0.000 0.952 251 R CB -0.695 29.578 30.300 -0.046 0.000 0.854 251 R HN 0.588 nan 8.270 nan 0.000 0.436 252 E N -0.374 119.807 120.200 -0.033 0.000 2.114 252 E HA -0.179 4.171 4.350 -0.000 0.000 0.199 252 E C 1.626 178.211 176.600 -0.025 0.000 1.008 252 E CA 2.309 58.692 56.400 -0.028 0.000 0.810 252 E CB -0.296 29.396 29.700 -0.014 0.000 0.739 252 E HN 0.283 nan 8.360 nan 0.000 0.456 253 V N -0.062 119.843 119.914 -0.015 0.000 2.599 253 V HA 0.029 4.149 4.120 -0.000 0.000 0.245 253 V C 1.248 177.339 176.094 -0.006 0.000 1.046 253 V CA 1.042 63.339 62.300 -0.006 0.000 1.065 253 V CB -0.224 31.602 31.823 0.004 0.000 0.703 253 V HN 0.226 nan 8.190 nan 0.000 0.464 254 L N 2.221 123.437 121.223 -0.012 0.000 2.599 254 L HA 0.310 4.650 4.340 -0.000 0.000 0.241 254 L C -1.445 175.394 176.870 -0.052 0.000 1.207 254 L CA -1.167 53.670 54.840 -0.005 0.000 0.987 254 L CB 0.784 42.855 42.059 0.020 0.000 1.318 254 L HN 0.136 nan 8.230 nan 0.000 0.458 255 P HA -0.181 nan 4.420 nan 0.000 0.222 255 P C 0.612 177.612 177.300 -0.501 0.000 1.142 255 P CA 1.648 64.553 63.100 -0.325 0.000 0.788 255 P CB 0.283 31.733 31.700 -0.418 0.000 0.767 256 H N -2.426 116.658 119.070 0.024 0.000 3.091 256 H HA 0.215 4.771 4.556 -0.000 0.000 0.249 256 H C 0.708 176.059 175.328 0.039 0.000 0.985 256 H CA -0.733 55.333 56.048 0.029 0.000 1.177 256 H CB -0.195 29.583 29.762 0.025 0.000 1.456 256 H HN -0.027 nan 8.280 nan 0.000 0.467 257 L N 5.165 126.467 121.223 0.131 0.000 2.540 257 L HA 0.132 4.472 4.340 -0.000 0.000 0.276 257 L C -2.246 174.689 176.870 0.107 0.000 1.212 257 L CA -2.098 52.809 54.840 0.111 0.000 0.893 257 L CB 0.243 42.355 42.059 0.088 0.000 1.138 257 L HN -0.031 nan 8.230 nan 0.000 0.491 258 P HA 0.057 nan 4.420 nan 0.000 0.267 258 P C -1.020 176.363 177.300 0.138 0.000 1.209 258 P CA 0.175 63.371 63.100 0.160 0.000 0.763 258 P CB 0.450 32.313 31.700 0.273 0.000 0.816 259 L N 3.578 124.842 121.223 0.068 0.000 2.325 259 L HA 0.460 4.799 4.340 -0.000 0.000 0.278 259 L C 0.171 177.026 176.870 -0.024 0.000 1.023 259 L CA -1.242 53.617 54.840 0.032 0.000 0.811 259 L CB 2.108 44.174 42.059 0.011 0.000 1.249 259 L HN 0.104 nan 8.230 nan 0.000 0.431 260 V N 2.248 122.144 119.914 -0.030 0.000 2.398 260 V HA 0.525 4.645 4.120 -0.000 0.000 0.286 260 V C 0.280 176.340 176.094 -0.056 0.000 1.026 260 V CA -0.576 61.670 62.300 -0.091 0.000 0.868 260 V CB 1.617 33.374 31.823 -0.109 0.000 0.982 260 V HN 0.848 nan 8.190 nan 0.000 0.443 261 A N 4.426 127.208 122.820 -0.063 0.000 2.260 261 A HA 0.822 5.141 4.320 -0.000 0.000 0.308 261 A C 0.169 177.730 177.584 -0.038 0.000 1.254 261 A CA -0.150 51.864 52.037 -0.039 0.000 0.874 261 A CB 0.628 19.610 19.000 -0.031 0.000 1.153 261 A HN 1.135 nan 8.150 nan 0.000 0.527 262 S N 1.148 116.835 115.700 -0.022 0.000 2.556 262 S HA 0.828 5.298 4.470 -0.000 0.000 0.271 262 S C -0.250 174.358 174.600 0.014 0.000 1.135 262 S CA -0.088 58.109 58.200 -0.005 0.000 0.858 262 S CB 1.398 64.587 63.200 -0.019 0.000 1.114 262 S HN 2.508 nan 8.310 nan 0.000 0.468 263 G N -0.029 108.795 108.800 0.040 0.000 2.602 263 G HA2 0.465 4.424 3.960 -0.000 0.000 0.291 263 G HA3 0.465 4.424 3.960 -0.000 0.000 0.291 263 G C 0.895 175.724 174.900 -0.118 0.000 0.988 263 G CA 0.268 45.382 45.100 0.023 0.000 1.295 263 G HN 2.484 nan 8.290 nan 0.000 0.630 264 G N -1.533 107.094 108.800 -0.288 0.000 2.137 264 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.237 264 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.237 264 G C 0.521 174.998 174.900 -0.705 0.000 1.002 264 G CA 0.433 44.940 45.100 -0.987 0.000 0.702 264 G HN 1.809 nan 8.290 nan 0.000 0.515 265 V N 1.585 121.373 119.914 -0.209 0.000 2.224 265 V HA 0.246 4.366 4.120 -0.000 0.000 0.289 265 V C 1.130 177.487 176.094 0.439 0.000 1.518 265 V CA -0.520 61.826 62.300 0.077 0.000 1.533 265 V CB -0.820 31.085 31.823 0.137 0.000 1.460 265 V HN 0.337 nan 8.190 nan 0.000 0.515 266 Y N 1.009 121.490 120.300 0.300 0.000 2.529 266 Y HA 0.156 4.706 4.550 -0.000 0.000 0.290 266 Y C 1.506 177.662 175.900 0.425 0.000 1.177 266 Y CA -0.243 58.130 58.100 0.456 0.000 1.305 266 Y CB -0.650 38.008 38.460 0.331 0.000 1.047 266 Y HN 0.616 nan 8.280 nan 0.000 0.522 267 T N -5.327 109.382 114.554 0.257 0.000 2.883 267 T HA 0.575 4.925 4.350 -0.000 0.000 0.296 267 T C 1.308 175.587 174.700 -0.701 0.000 1.117 267 T CA -0.354 61.621 62.100 -0.209 0.000 1.006 267 T CB 1.544 70.351 68.868 -0.102 0.000 1.191 267 T HN 0.035 nan 8.240 nan 0.000 0.508 268 G N 0.754 109.017 108.800 -0.895 0.000 2.421 268 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.216 268 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.216 268 G C 1.330 176.048 174.900 -0.303 0.000 1.171 268 G CA 1.411 46.070 45.100 -0.735 0.000 0.775 268 G HN 0.833 nan 8.290 nan 0.000 0.543 269 T N 1.006 115.437 114.554 -0.205 0.000 2.759 269 T HA -0.115 4.235 4.350 -0.000 0.000 0.269 269 T C 1.935 176.597 174.700 -0.064 0.000 1.042 269 T CA 1.525 63.566 62.100 -0.097 0.000 1.140 269 T CB -0.248 68.577 68.868 -0.073 0.000 0.864 269 T HN 0.149 nan 8.240 nan 0.000 0.455 270 D N 0.723 121.082 120.400 -0.069 0.000 2.149 270 D HA 0.020 4.660 4.640 -0.000 0.000 0.201 270 D C 2.406 178.711 176.300 0.008 0.000 0.972 270 D CA 1.021 55.011 54.000 -0.015 0.000 0.835 270 D CB -0.700 40.106 40.800 0.010 0.000 0.966 270 D HN 0.475 nan 8.370 nan 0.000 0.476 271 G N 0.805 109.614 108.800 0.014 0.000 2.418 271 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 271 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 271 G C 1.722 176.652 174.900 0.051 0.000 1.158 271 G CA 1.187 46.350 45.100 0.105 0.000 0.771 271 G HN 0.375 nan 8.290 nan 0.000 0.545 272 A N 0.926 123.755 122.820 0.014 0.000 1.883 272 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 272 A C 2.309 179.888 177.584 -0.008 0.000 1.186 272 A CA 2.041 54.085 52.037 0.011 0.000 0.624 272 A CB -0.394 18.610 19.000 0.006 0.000 0.822 272 A HN 0.383 nan 8.150 nan 0.000 0.444 273 K N -0.392 119.997 120.400 -0.018 0.000 2.057 273 K HA -0.084 4.235 4.320 -0.000 0.000 0.207 273 K C 2.358 178.903 176.600 -0.093 0.000 1.049 273 K CA 1.109 57.366 56.287 -0.050 0.000 0.931 273 K CB -0.373 32.113 32.500 -0.024 0.000 0.714 273 K HN 0.451 nan 8.250 nan 0.000 0.440 274 A N 1.705 124.493 122.820 -0.054 0.000 1.865 274 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 274 A C 2.175 179.721 177.584 -0.063 0.000 1.191 274 A CA 1.468 53.469 52.037 -0.060 0.000 0.623 274 A CB -0.795 18.200 19.000 -0.010 0.000 0.826 274 A HN 0.161 nan 8.150 nan 0.000 0.444 275 L N -0.833 120.371 121.223 -0.031 0.000 1.994 275 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 275 L C 3.132 179.972 176.870 -0.049 0.000 1.071 275 L CA 1.188 56.013 54.840 -0.026 0.000 0.745 275 L CB -0.781 41.280 42.059 0.003 0.000 0.892 275 L HN 0.434 nan 8.230 nan 0.000 0.431 276 A N 0.285 123.071 122.820 -0.057 0.000 1.958 276 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 276 A C 2.202 179.716 177.584 -0.116 0.000 1.178 276 A CA 1.751 53.744 52.037 -0.073 0.000 0.642 276 A CB -0.872 18.085 19.000 -0.072 0.000 0.816 276 A HN 0.436 nan 8.150 nan 0.000 0.453 277 L N -2.014 119.105 121.223 -0.174 0.000 2.552 277 L HA 0.136 4.476 4.340 -0.000 0.000 0.227 277 L C 1.621 178.410 176.870 -0.135 0.000 1.146 277 L CA 0.677 55.383 54.840 -0.222 0.000 0.858 277 L CB -0.217 41.637 42.059 -0.341 0.000 0.969 277 L HN 0.647 nan 8.230 nan 0.000 0.451 278 G N -0.876 107.868 108.800 -0.094 0.000 2.200 278 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.145 278 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.145 278 G C 0.120 174.992 174.900 -0.047 0.000 1.021 278 G CA -0.208 44.853 45.100 -0.064 0.000 0.720 278 G HN 0.351 nan 8.290 nan 0.000 0.494 279 A N -0.174 122.617 122.820 -0.048 0.000 2.264 279 A HA 0.741 5.061 4.320 -0.000 0.000 0.304 279 A C 0.755 178.322 177.584 -0.027 0.000 1.100 279 A CA 0.350 52.365 52.037 -0.038 0.000 0.839 279 A CB 0.786 19.761 19.000 -0.042 0.000 1.121 279 A HN 0.043 nan 8.150 nan 0.000 0.496 280 D N -0.896 119.483 120.400 -0.035 0.000 2.482 280 D HA 0.195 4.835 4.640 -0.000 0.000 0.251 280 D C -0.224 176.027 176.300 -0.081 0.000 1.073 280 D CA 0.592 54.573 54.000 -0.032 0.000 0.892 280 D CB 0.427 41.225 40.800 -0.003 0.000 1.202 280 D HN 0.215 nan 8.370 nan 0.000 0.496 281 L N 1.451 122.586 121.223 -0.146 0.000 2.371 281 L HA 0.406 4.746 4.340 -0.000 0.000 0.262 281 L C -0.781 175.995 176.870 -0.156 0.000 1.006 281 L CA -0.676 54.034 54.840 -0.215 0.000 0.818 281 L CB 2.511 44.273 42.059 -0.496 0.000 1.354 281 L HN -0.172 nan 8.230 nan 0.000 0.415 282 L N 1.400 122.541 121.223 -0.137 0.000 2.334 282 L HA 0.840 5.180 4.340 -0.000 0.000 0.273 282 L C 0.127 176.772 176.870 -0.376 0.000 1.013 282 L CA -0.637 54.127 54.840 -0.128 0.000 0.816 282 L CB 1.469 43.569 42.059 0.069 0.000 1.278 282 L HN 0.749 nan 8.230 nan 0.000 0.431 283 A N 2.495 125.114 122.820 -0.335 0.000 2.398 283 A HA 0.804 5.124 4.320 -0.000 0.000 0.301 283 A C -1.229 176.166 177.584 -0.314 0.000 1.041 283 A CA -0.461 51.300 52.037 -0.460 0.000 0.711 283 A CB 1.714 20.554 19.000 -0.268 0.000 1.240 283 A HN 0.356 nan 8.150 nan 0.000 0.420 284 V N 1.712 121.370 119.914 -0.425 0.000 2.540 284 V HA 0.717 4.837 4.120 -0.000 0.000 0.302 284 V C 0.712 176.705 176.094 -0.169 0.000 1.035 284 V CA 0.342 62.545 62.300 -0.161 0.000 0.873 284 V CB 1.128 32.882 31.823 -0.114 0.000 0.992 284 V HN 1.309 nan 8.190 nan 0.000 0.428 285 A N 4.265 127.033 122.820 -0.087 0.000 2.113 285 A HA 0.302 4.622 4.320 -0.000 0.000 0.211 285 A C 1.854 179.340 177.584 -0.163 0.000 2.359 285 A CA 0.513 52.493 52.037 -0.096 0.000 1.274 285 A CB -0.389 18.618 19.000 0.012 0.000 1.160 285 A HN 0.702 nan 8.150 nan 0.000 0.585 286 R N 0.338 120.777 120.500 -0.102 0.000 2.134 286 R HA -0.156 4.184 4.340 -0.000 0.000 0.248 286 R C -1.031 175.075 176.300 -0.323 0.000 1.143 286 R CA 2.518 58.516 56.100 -0.169 0.000 0.957 286 R CB -1.312 28.917 30.300 -0.118 0.000 0.867 286 R HN 0.355 nan 8.270 nan 0.000 0.441 287 P HA -0.159 nan 4.420 nan 0.000 0.220 287 P C 0.562 177.424 177.300 -0.731 0.000 1.144 287 P CA 0.954 63.701 63.100 -0.587 0.000 0.800 287 P CB 0.104 31.393 31.700 -0.686 0.000 0.772 288 L N -1.977 118.837 121.223 -0.683 0.000 2.529 288 L HA 0.067 4.407 4.340 -0.000 0.000 0.223 288 L C 1.957 178.632 176.870 -0.325 0.000 1.113 288 L CA 0.721 55.197 54.840 -0.606 0.000 0.861 288 L CB -1.583 40.193 42.059 -0.473 0.000 1.012 288 L HN 0.053 nan 8.230 nan 0.000 0.461 289 L N 0.598 121.668 121.223 -0.255 0.000 2.042 289 L HA -0.201 4.138 4.340 -0.000 0.000 0.210 289 L C 2.758 179.548 176.870 -0.134 0.000 1.076 289 L CA 1.887 56.631 54.840 -0.160 0.000 0.749 289 L CB -0.546 41.435 42.059 -0.129 0.000 0.893 289 L HN 0.204 nan 8.230 nan 0.000 0.432 290 R N -0.187 120.228 120.500 -0.141 0.000 2.062 290 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 290 R C -0.539 175.716 176.300 -0.075 0.000 1.128 290 R CA 1.394 57.438 56.100 -0.092 0.000 0.960 290 R CB -1.229 29.029 30.300 -0.071 0.000 0.855 290 R HN 0.369 nan 8.270 nan 0.000 0.432 291 P HA -0.099 nan 4.420 nan 0.000 0.222 291 P C 0.691 177.960 177.300 -0.052 0.000 1.147 291 P CA 1.642 64.715 63.100 -0.045 0.000 0.790 291 P CB 0.023 31.703 31.700 -0.034 0.000 0.780 292 A N 0.132 122.902 122.820 -0.084 0.000 1.969 292 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 292 A C 2.327 179.880 177.584 -0.050 0.000 1.169 292 A CA 0.928 52.925 52.037 -0.068 0.000 0.635 292 A CB -1.386 17.563 19.000 -0.085 0.000 0.810 292 A HN 0.136 nan 8.150 nan 0.000 0.445 293 L N -0.761 120.431 121.223 -0.050 0.000 2.291 293 L HA -0.098 4.242 4.340 -0.000 0.000 0.214 293 L C 2.053 178.907 176.870 -0.026 0.000 1.120 293 L CA 1.050 55.867 54.840 -0.038 0.000 0.799 293 L CB -0.410 41.626 42.059 -0.039 0.000 0.925 293 L HN 0.500 nan 8.230 nan 0.000 0.446 294 E N -0.226 119.961 120.200 -0.022 0.000 2.400 294 E HA 0.218 4.568 4.350 -0.000 0.000 0.195 294 E C 0.734 177.329 176.600 -0.008 0.000 1.012 294 E CA 0.367 56.761 56.400 -0.011 0.000 0.875 294 E CB 0.485 30.184 29.700 -0.002 0.000 0.859 294 E HN 0.419 nan 8.360 nan 0.000 0.498 295 G N 0.231 109.024 108.800 -0.012 0.000 2.428 295 G HA2 0.042 4.002 3.960 -0.000 0.000 0.681 295 G HA3 0.042 4.002 3.960 -0.000 0.000 0.681 295 G C 0.389 175.286 174.900 -0.005 0.000 1.340 295 G CA -0.535 44.560 45.100 -0.009 0.000 0.915 295 G HN 0.073 nan 8.290 nan 0.000 0.645 296 A N -0.052 122.765 122.820 -0.005 0.000 1.917 296 A HA -0.073 4.247 4.320 -0.000 0.000 0.219 296 A C 2.141 179.730 177.584 0.008 0.000 1.182 296 A CA 2.537 54.574 52.037 -0.001 0.000 0.633 296 A CB -0.437 18.562 19.000 -0.001 0.000 0.819 296 A HN 1.069 nan 8.150 nan 0.000 0.448 297 E N -0.029 120.176 120.200 0.009 0.000 2.058 297 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 297 E C 2.229 178.845 176.600 0.026 0.000 0.997 297 E CA 1.807 58.215 56.400 0.013 0.000 0.801 297 E CB -0.240 29.465 29.700 0.010 0.000 0.746 297 E HN 0.424 nan 8.360 nan 0.000 0.450 298 R N 0.455 120.973 120.500 0.029 0.000 2.091 298 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 298 R C 2.470 178.820 176.300 0.083 0.000 1.136 298 R CA 1.551 57.682 56.100 0.052 0.000 0.959 298 R CB -0.905 29.418 30.300 0.038 0.000 0.856 298 R HN 0.123 nan 8.270 nan 0.000 0.437 299 V N 0.685 120.629 119.914 0.049 0.000 2.343 299 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 299 V C 2.343 178.491 176.094 0.089 0.000 1.051 299 V CA 1.974 64.304 62.300 0.051 0.000 1.036 299 V CB -0.985 30.836 31.823 -0.003 0.000 0.654 299 V HN 0.530 nan 8.190 nan 0.000 0.451 300 A N -0.148 122.703 122.820 0.051 0.000 1.933 300 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 300 A C 2.410 180.022 177.584 0.047 0.000 1.175 300 A CA 1.996 54.052 52.037 0.033 0.000 0.628 300 A CB -0.671 18.338 19.000 0.014 0.000 0.814 300 A HN 0.567 nan 8.150 nan 0.000 0.444 301 A N -1.423 121.437 122.820 0.067 0.000 1.877 301 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 301 A C 1.986 179.618 177.584 0.080 0.000 1.186 301 A CA 1.442 53.512 52.037 0.054 0.000 0.620 301 A CB -0.942 18.090 19.000 0.053 0.000 0.822 301 A HN 0.801 nan 8.150 nan 0.000 0.443 302 W N 0.644 121.924 121.300 -0.033 0.000 2.329 302 W HA -0.225 4.435 4.660 -0.000 0.000 0.324 302 W C 1.965 178.462 176.519 -0.037 0.000 1.222 302 W CA 2.340 59.674 57.345 -0.018 0.000 1.270 302 W CB -0.285 29.166 29.460 -0.016 0.000 1.167 302 W HN 0.307 nan 8.180 nan 0.000 0.467 303 I N 0.533 121.341 120.570 0.397 0.000 2.208 303 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 303 I C 2.621 178.674 176.117 -0.106 0.000 1.097 303 I CA 1.505 62.834 61.300 0.048 0.000 1.363 303 I CB -1.416 36.445 38.000 -0.232 0.000 1.051 303 I HN 0.231 nan 8.210 nan 0.000 0.413 304 G N 0.600 109.365 108.800 -0.057 0.000 2.446 304 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.217 304 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.217 304 G C 1.279 176.137 174.900 -0.070 0.000 1.168 304 G CA 1.445 46.506 45.100 -0.065 0.000 0.771 304 G HN 0.386 nan 8.290 nan 0.000 0.551 305 D N -1.339 119.001 120.400 -0.100 0.000 2.178 305 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 305 D C 1.962 178.173 176.300 -0.148 0.000 0.980 305 D CA 0.702 54.616 54.000 -0.144 0.000 0.842 305 D CB -0.230 40.441 40.800 -0.216 0.000 0.948 305 D HN 0.442 nan 8.370 nan 0.000 0.472 306 Y N 0.351 120.453 120.300 -0.329 0.000 2.163 306 Y HA -0.089 4.461 4.550 -0.000 0.000 0.288 306 Y C 1.864 177.688 175.900 -0.127 0.000 1.136 306 Y CA 1.296 59.233 58.100 -0.272 0.000 1.147 306 Y CB -0.002 38.310 38.460 -0.247 0.000 0.987 306 Y HN -0.015 nan 8.280 nan 0.000 0.509 307 L N 0.111 121.433 121.223 0.165 0.000 2.217 307 L HA -0.150 4.190 4.340 -0.000 0.000 0.211 307 L C 2.450 179.335 176.870 0.024 0.000 1.107 307 L CA 1.401 56.309 54.840 0.115 0.000 0.783 307 L CB -0.528 41.544 42.059 0.023 0.000 0.919 307 L HN 0.306 nan 8.230 nan 0.000 0.442 308 E N 0.922 121.109 120.200 -0.022 0.000 2.110 308 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 308 E C 1.945 178.516 176.600 -0.048 0.000 0.988 308 E CA 1.609 57.984 56.400 -0.042 0.000 0.804 308 E CB 0.190 29.854 29.700 -0.060 0.000 0.745 308 E HN 0.700 nan 8.360 nan 0.000 0.458 309 E N 0.224 120.377 120.200 -0.078 0.000 2.170 309 E HA -0.139 4.210 4.350 -0.000 0.000 0.191 309 E C 2.272 178.831 176.600 -0.070 0.000 0.981 309 E CA 0.367 56.712 56.400 -0.091 0.000 0.830 309 E CB -0.375 29.233 29.700 -0.153 0.000 0.775 309 E HN 0.186 nan 8.360 nan 0.000 0.470 310 L N 1.977 123.158 121.223 -0.070 0.000 2.042 310 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 310 L C 2.617 179.508 176.870 0.036 0.000 1.076 310 L CA 1.973 56.805 54.840 -0.014 0.000 0.749 310 L CB -0.526 41.579 42.059 0.078 0.000 0.893 310 L HN 0.096 nan 8.230 nan 0.000 0.432 311 R N -1.142 119.380 120.500 0.038 0.000 2.080 311 R HA -0.169 4.170 4.340 -0.000 0.000 0.236 311 R C 2.069 178.425 176.300 0.094 0.000 1.137 311 R CA 2.197 58.329 56.100 0.054 0.000 0.943 311 R CB -0.629 29.681 30.300 0.018 0.000 0.846 311 R HN 0.428 nan 8.270 nan 0.000 0.431 312 T N 0.710 115.305 114.554 0.069 0.000 2.759 312 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 312 T C 1.765 176.584 174.700 0.197 0.000 1.042 312 T CA 1.382 63.568 62.100 0.144 0.000 1.140 312 T CB -0.299 68.612 68.868 0.072 0.000 0.864 312 T HN 0.504 nan 8.240 nan 0.000 0.455 313 A N 1.230 124.109 122.820 0.099 0.000 1.877 313 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 313 A C 2.305 179.947 177.584 0.096 0.000 1.186 313 A CA 1.163 53.246 52.037 0.077 0.000 0.620 313 A CB -0.870 18.143 19.000 0.022 0.000 0.822 313 A HN 0.467 nan 8.150 nan 0.000 0.443 314 L N -1.809 119.475 121.223 0.100 0.000 2.079 314 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 314 L C 2.496 179.440 176.870 0.124 0.000 1.081 314 L CA 1.663 56.559 54.840 0.094 0.000 0.752 314 L CB -0.569 41.545 42.059 0.092 0.000 0.896 314 L HN 0.533 nan 8.230 nan 0.000 0.433 315 F N 1.058 121.025 119.950 0.027 0.000 2.069 315 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 315 F C 2.415 178.243 175.800 0.047 0.000 1.113 315 F CA 1.424 59.441 58.000 0.029 0.000 1.214 315 F CB -0.446 38.571 39.000 0.028 0.000 0.978 315 F HN -0.010 nan 8.300 nan 0.000 0.474 316 A N 0.326 123.087 122.820 -0.098 0.000 2.015 316 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 316 A C 2.167 179.710 177.584 -0.068 0.000 1.163 316 A CA 1.452 53.433 52.037 -0.092 0.000 0.646 316 A CB -0.970 18.156 19.000 0.210 0.000 0.806 316 A HN 0.426 nan 8.150 nan 0.000 0.448 317 I N -1.133 119.420 120.570 -0.028 0.000 2.546 317 I HA -0.024 4.146 4.170 -0.000 0.000 0.255 317 I C 1.869 177.933 176.117 -0.088 0.000 1.163 317 I CA 1.642 62.925 61.300 -0.027 0.000 1.457 317 I CB -1.214 36.791 38.000 0.008 0.000 1.092 317 I HN 0.557 nan 8.210 nan 0.000 0.434 318 G N 0.598 109.325 108.800 -0.121 0.000 2.138 318 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.193 318 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.193 318 G C 0.375 175.247 174.900 -0.046 0.000 0.998 318 G CA 0.081 45.109 45.100 -0.120 0.000 0.668 318 G HN 0.678 nan 8.290 nan 0.000 0.516 319 A N -0.470 122.344 122.820 -0.009 0.000 2.292 319 A HA 0.854 5.173 4.320 -0.000 0.000 0.319 319 A C 0.950 178.565 177.584 0.051 0.000 1.206 319 A CA -0.240 51.809 52.037 0.019 0.000 0.835 319 A CB 0.850 19.864 19.000 0.023 0.000 1.164 319 A HN 0.224 nan 8.150 nan 0.000 0.505 320 R N 0.604 121.133 120.500 0.047 0.000 2.275 320 R HA 0.096 4.436 4.340 -0.000 0.000 0.199 320 R C -0.350 175.984 176.300 0.058 0.000 0.989 320 R CA 1.128 57.265 56.100 0.061 0.000 1.016 320 R CB -0.057 30.272 30.300 0.048 0.000 0.918 320 R HN 0.966 nan 8.270 nan 0.000 0.473 321 N N -4.397 114.334 118.700 0.051 0.000 2.961 321 N HA 0.207 4.947 4.740 -0.000 0.000 0.245 321 N C -2.723 172.815 175.510 0.046 0.000 1.404 321 N CA -1.506 51.574 53.050 0.050 0.000 0.880 321 N CB 1.003 39.517 38.487 0.045 0.000 1.461 321 N HN -0.399 nan 8.380 nan 0.000 0.510 322 P HA -0.227 nan 4.420 nan 0.000 0.218 322 P C 0.736 178.055 177.300 0.031 0.000 1.147 322 P CA 1.431 64.556 63.100 0.043 0.000 0.827 322 P CB 0.211 31.938 31.700 0.046 0.000 0.778 323 K N -0.123 120.297 120.400 0.033 0.000 2.031 323 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 323 K C 1.742 178.354 176.600 0.020 0.000 1.049 323 K CA 1.243 57.547 56.287 0.028 0.000 0.939 323 K CB -0.597 31.923 32.500 0.034 0.000 0.717 323 K HN 0.359 nan 8.250 nan 0.000 0.438 324 E N 0.669 120.882 120.200 0.022 0.000 2.515 324 E HA -0.079 4.271 4.350 -0.000 0.000 0.201 324 E C 1.580 178.185 176.600 0.008 0.000 1.071 324 E CA 0.389 56.797 56.400 0.014 0.000 0.880 324 E CB -0.001 29.708 29.700 0.016 0.000 0.828 324 E HN 0.236 nan 8.360 nan 0.000 0.540 325 A N 1.720 124.546 122.820 0.010 0.000 1.970 325 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 325 A C 1.507 179.085 177.584 -0.010 0.000 1.170 325 A CA 0.046 52.086 52.037 0.003 0.000 0.645 325 A CB -0.168 18.838 19.000 0.009 0.000 0.816 325 A HN 0.043 nan 8.150 nan 0.000 0.447 326 R N 0.122 120.616 120.500 -0.010 0.000 2.485 326 R HA 0.230 4.570 4.340 -0.000 0.000 0.304 326 R C 1.215 177.502 176.300 -0.022 0.000 0.934 326 R CA 1.207 57.294 56.100 -0.021 0.000 1.102 326 R CB -0.733 29.559 30.300 -0.014 0.000 0.906 326 R HN 1.022 nan 8.270 nan 0.000 0.407 327 G N 4.344 113.123 108.800 -0.035 0.000 2.234 327 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 327 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 327 G C 0.441 175.331 174.900 -0.017 0.000 0.987 327 G CA 0.402 45.486 45.100 -0.027 0.000 0.625 327 G HN 0.635 nan 8.290 nan 0.000 0.532 328 R N 0.154 120.644 120.500 -0.016 0.000 3.385 328 R HA 0.423 4.763 4.340 -0.000 0.000 0.236 328 R C 0.038 176.341 176.300 0.004 0.000 1.663 328 R CA 0.683 56.779 56.100 -0.007 0.000 1.444 328 R CB 0.050 30.346 30.300 -0.008 0.000 1.218 328 R HN 0.449 nan 8.270 nan 0.000 0.575 329 V N 0.338 120.256 119.914 0.007 0.000 3.147 329 V HA 0.337 4.457 4.120 -0.000 0.000 0.306 329 V C -1.376 174.770 176.094 0.086 0.000 1.209 329 V CA -0.861 61.461 62.300 0.037 0.000 1.023 329 V CB 2.732 34.548 31.823 -0.012 0.000 1.059 329 V HN 0.485 nan 8.190 nan 0.000 0.435 330 E N 4.060 124.352 120.200 0.154 0.000 2.393 330 E HA 0.546 4.896 4.350 -0.000 0.000 0.273 330 E C -1.036 175.718 176.600 0.256 0.000 0.918 330 E CA -1.097 55.409 56.400 0.178 0.000 0.773 330 E CB 2.243 31.998 29.700 0.092 0.000 1.275 330 E HN 0.688 nan 8.360 nan 0.000 0.451 331 R N 1.842 122.451 120.500 0.181 0.000 2.389 331 R HA 0.272 4.612 4.340 -0.000 0.000 0.295 331 R C -0.229 176.011 176.300 -0.100 0.000 1.075 331 R CA -0.408 55.648 56.100 -0.075 0.000 1.005 331 R CB 0.863 31.081 30.300 -0.138 0.000 0.987 331 R HN 0.465 nan 8.270 nan 0.000 0.452 332 V N 0.000 119.810 119.914 -0.173 0.000 2.409 332 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 332 V CA 0.000 62.236 62.300 -0.106 0.000 1.235 332 V CB 0.000 31.758 31.823 -0.108 0.000 1.184 332 V HN 0.000 nan 8.190 nan 0.000 0.556