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 2zaf_1_C DATA FIRST_RESID 2 DATA SEQUENCE VDFKLSPSQL EARRHAQAFA NTVLTKASAE YSTQKDQLSR FQATRPFYRE DATA SEQUENCE AVRHGLIKAQ VPIPLGGTME SLVHESIILE ELFAVEPATS ITIVATALGL DATA SEQUENCE MPVILCDSPS LQEKFLKPFI SGEGEPLASL MHSEPNGTAN WLQKGGPGLQ DATA SEQUENCE TTARKVGNEW VISGEKLWPS NSGGWDYKGA DLACVVCRVS DDPSKPQDPN DATA SEQUENCE VDPATQIAVL LVTRETIANN KKDAYQILGE PELAGHITTS GPHTRFTEFH DATA SEQUENCE VPHENLLCTP GLKAQGLVET AFAMSAALVG AMAIGTARAA FEEALVFAKS DATA SEQUENCE DTRGGSKHII EHQSVADKLI DCKIRLETSR LLVWKAVTTL EDEALEWKVK DATA SEQUENCE LEMAMQTKIY TTDVAVECVI DAMKAVGMKS YAKDMSFPRL LNEVMCYPLF DATA SEQUENCE DGGNIGLKRR QMQRVMALED YEPWAATYGS 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 175.991 176.094 -0.172 0.000 1.182 2 V CA 0.000 62.212 62.300 -0.147 0.000 1.235 2 V CB 0.000 31.722 31.823 -0.168 0.000 1.184 3 D N 1.951 122.166 120.400 -0.308 0.000 2.990 3 D HA 0.622 5.262 4.640 -0.000 0.000 0.227 3 D C -0.584 175.514 176.300 -0.337 0.000 1.249 3 D CA -0.343 53.532 54.000 -0.209 0.000 0.891 3 D CB 1.914 42.652 40.800 -0.103 0.000 1.647 3 D HN 0.472 nan 8.370 nan 0.000 0.530 4 F N 1.131 121.120 119.950 0.065 0.000 2.724 4 F HA 0.311 4.838 4.527 -0.000 0.000 0.306 4 F C 1.147 177.019 175.800 0.120 0.000 1.100 4 F CA -0.376 57.697 58.000 0.121 0.000 1.255 4 F CB 0.482 39.555 39.000 0.121 0.000 1.072 4 F HN -0.032 nan 8.300 nan 0.000 0.589 5 K N 1.932 122.454 120.400 0.203 0.000 2.469 5 K HA 0.217 4.537 4.320 -0.000 0.000 0.274 5 K C -0.432 176.215 176.600 0.078 0.000 0.983 5 K CA 0.217 56.583 56.287 0.131 0.000 0.974 5 K CB 0.618 33.166 32.500 0.080 0.000 0.913 5 K HN 0.097 nan 8.250 nan 0.000 0.493 6 L N 1.687 122.946 121.223 0.060 0.000 2.325 6 L HA 0.220 4.560 4.340 -0.000 0.000 0.278 6 L C 0.421 177.280 176.870 -0.019 0.000 1.023 6 L CA -0.691 54.143 54.840 -0.010 0.000 0.811 6 L CB 1.824 43.886 42.059 0.005 0.000 1.249 6 L HN 0.757 nan 8.230 nan 0.000 0.431 7 S N 1.491 117.158 115.700 -0.055 0.000 2.592 7 S HA 0.293 4.763 4.470 -0.000 0.000 0.271 7 S C -1.943 172.654 174.600 -0.005 0.000 1.326 7 S CA -1.118 57.070 58.200 -0.020 0.000 1.024 7 S CB 1.142 64.337 63.200 -0.008 0.000 0.921 7 S HN 0.402 nan 8.310 nan 0.000 0.527 8 P HA -0.220 nan 4.420 nan 0.000 0.218 8 P C 1.799 179.127 177.300 0.047 0.000 1.154 8 P CA 2.149 65.268 63.100 0.032 0.000 0.872 8 P CB -0.236 31.483 31.700 0.032 0.000 0.790 9 S N -1.587 114.159 115.700 0.075 0.000 2.406 9 S HA -0.175 4.295 4.470 -0.000 0.000 0.228 9 S C 2.037 176.721 174.600 0.141 0.000 1.020 9 S CA 0.861 59.146 58.200 0.141 0.000 0.965 9 S CB -1.082 62.240 63.200 0.203 0.000 0.798 9 S HN 0.194 nan 8.310 nan 0.000 0.488 10 Q N 0.793 120.563 119.800 -0.049 0.000 2.079 10 Q HA 0.143 4.483 4.340 -0.000 0.000 0.200 10 Q C 2.216 178.170 176.000 -0.075 0.000 0.974 10 Q CA 1.441 57.068 55.803 -0.293 0.000 0.840 10 Q CB -0.375 28.105 28.738 -0.430 0.000 0.898 10 Q HN 0.535 nan 8.270 nan 0.000 0.430 11 L N 0.272 121.486 121.223 -0.014 0.000 2.141 11 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 11 L C 2.349 179.258 176.870 0.065 0.000 1.094 11 L CA 0.929 55.790 54.840 0.035 0.000 0.763 11 L CB -0.177 41.905 42.059 0.040 0.000 0.908 11 L HN 0.236 nan 8.230 nan 0.000 0.437 12 E N 0.668 120.911 120.200 0.072 0.000 2.107 12 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 12 E C 2.097 178.778 176.600 0.134 0.000 0.982 12 E CA 1.315 57.773 56.400 0.097 0.000 0.809 12 E CB -0.045 29.704 29.700 0.083 0.000 0.756 12 E HN 0.316 nan 8.360 nan 0.000 0.459 13 A N 0.941 123.838 122.820 0.127 0.000 1.972 13 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 13 A C 2.284 179.979 177.584 0.185 0.000 1.169 13 A CA 1.697 53.827 52.037 0.155 0.000 0.635 13 A CB -0.589 18.513 19.000 0.169 0.000 0.810 13 A HN 0.282 nan 8.150 nan 0.000 0.446 14 R N -0.671 119.914 120.500 0.141 0.000 2.062 14 R HA -0.068 4.271 4.340 -0.000 0.000 0.229 14 R C 2.449 178.838 176.300 0.149 0.000 1.128 14 R CA 1.258 57.443 56.100 0.141 0.000 0.960 14 R CB -0.354 30.015 30.300 0.115 0.000 0.855 14 R HN 0.478 nan 8.270 nan 0.000 0.432 15 R N -0.480 120.104 120.500 0.139 0.000 2.094 15 R HA -0.259 4.081 4.340 -0.000 0.000 0.239 15 R C 2.287 178.684 176.300 0.162 0.000 1.137 15 R CA 2.378 58.556 56.100 0.131 0.000 0.943 15 R CB -0.586 29.785 30.300 0.119 0.000 0.850 15 R HN 0.449 nan 8.270 nan 0.000 0.433 16 H N -0.317 118.821 119.070 0.113 0.000 2.290 16 H HA -0.102 4.454 4.556 -0.000 0.000 0.298 16 H C 1.801 177.232 175.328 0.173 0.000 1.087 16 H CA 2.517 58.649 56.048 0.140 0.000 1.291 16 H CB -0.222 29.613 29.762 0.122 0.000 1.369 16 H HN 0.369 nan 8.280 nan 0.000 0.492 17 A N 0.214 123.182 122.820 0.247 0.000 1.902 17 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 17 A C 2.382 180.067 177.584 0.167 0.000 1.181 17 A CA 1.716 53.885 52.037 0.219 0.000 0.623 17 A CB -0.837 18.306 19.000 0.238 0.000 0.818 17 A HN 0.673 nan 8.150 nan 0.000 0.443 18 Q N -0.702 119.178 119.800 0.133 0.000 2.061 18 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 18 Q C 2.296 178.329 176.000 0.054 0.000 0.984 18 Q CA 1.639 57.497 55.803 0.092 0.000 0.846 18 Q CB -0.346 28.445 28.738 0.089 0.000 0.902 18 Q HN 0.652 nan 8.270 nan 0.000 0.421 19 A N 0.232 123.082 122.820 0.050 0.000 1.865 19 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 19 A C 1.845 179.425 177.584 -0.007 0.000 1.191 19 A CA 1.496 53.546 52.037 0.022 0.000 0.623 19 A CB -1.064 17.956 19.000 0.033 0.000 0.826 19 A HN 0.613 nan 8.150 nan 0.000 0.444 20 F N 0.917 120.757 119.950 -0.184 0.000 2.216 20 F HA -0.045 4.482 4.527 -0.000 0.000 0.300 20 F C 2.375 178.091 175.800 -0.140 0.000 1.085 20 F CA 1.164 59.006 58.000 -0.263 0.000 1.326 20 F CB -0.261 38.502 39.000 -0.395 0.000 1.027 20 F HN 0.240 nan 8.300 nan 0.000 0.497 21 A N 0.238 122.978 122.820 -0.133 0.000 1.898 21 A HA -0.127 4.193 4.320 -0.000 0.000 0.214 21 A C 1.980 179.441 177.584 -0.205 0.000 1.183 21 A CA 1.693 53.609 52.037 -0.201 0.000 0.622 21 A CB -1.012 17.975 19.000 -0.021 0.000 0.824 21 A HN 0.557 nan 8.150 nan 0.000 0.444 22 N N -0.511 118.117 118.700 -0.121 0.000 2.106 22 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 22 N C 1.917 177.360 175.510 -0.111 0.000 1.029 22 N CA 1.954 54.949 53.050 -0.092 0.000 0.848 22 N CB -0.203 38.258 38.487 -0.043 0.000 1.007 22 N HN 0.649 nan 8.380 nan 0.000 0.423 23 T N -2.256 112.223 114.554 -0.124 0.000 3.014 23 T HA 0.095 4.445 4.350 -0.000 0.000 0.263 23 T C 1.657 176.272 174.700 -0.141 0.000 1.078 23 T CA 0.567 62.608 62.100 -0.099 0.000 1.135 23 T CB -0.007 68.833 68.868 -0.046 0.000 0.895 23 T HN -0.069 nan 8.240 nan 0.000 0.480 24 V N -0.017 119.715 119.914 -0.305 0.000 2.911 24 V HA 0.306 4.426 4.120 -0.000 0.000 0.237 24 V C 2.291 178.231 176.094 -0.257 0.000 1.156 24 V CA 0.099 62.212 62.300 -0.312 0.000 1.180 24 V CB -0.123 31.327 31.823 -0.623 0.000 0.932 24 V HN 0.242 nan 8.190 nan 0.000 0.483 25 L N 1.351 122.294 121.223 -0.468 0.000 2.156 25 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 25 L C 2.810 179.498 176.870 -0.304 0.000 1.095 25 L CA 2.543 57.156 54.840 -0.379 0.000 0.770 25 L CB -1.274 40.593 42.059 -0.321 0.000 0.914 25 L HN 0.629 nan 8.230 nan 0.000 0.439 26 T N -3.358 111.063 114.554 -0.222 0.000 2.803 26 T HA -0.265 4.085 4.350 -0.000 0.000 0.269 26 T C 1.870 176.459 174.700 -0.185 0.000 1.052 26 T CA 1.320 63.318 62.100 -0.170 0.000 1.136 26 T CB -0.319 68.476 68.868 -0.121 0.000 0.864 26 T HN 0.219 nan 8.240 nan 0.000 0.467 27 K N 1.022 121.324 120.400 -0.163 0.000 2.432 27 K HA 0.367 4.686 4.320 -0.000 0.000 0.196 27 K C 2.625 179.050 176.600 -0.293 0.000 1.038 27 K CA 0.571 56.803 56.287 -0.091 0.000 0.986 27 K CB -0.286 32.296 32.500 0.136 0.000 0.782 27 K HN 0.460 nan 8.250 nan 0.000 0.485 28 A N 0.799 123.166 122.820 -0.755 0.000 1.883 28 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 28 A C 2.204 179.424 177.584 -0.608 0.000 1.186 28 A CA 2.050 53.387 52.037 -1.166 0.000 0.624 28 A CB -0.844 17.603 19.000 -0.922 0.000 0.822 28 A HN 0.250 nan 8.150 nan 0.000 0.444 29 S N -0.544 114.788 115.700 -0.613 0.000 2.380 29 S HA -0.173 4.297 4.470 -0.000 0.000 0.229 29 S C 2.170 176.284 174.600 -0.810 0.000 1.043 29 S CA 1.764 59.331 58.200 -1.055 0.000 1.038 29 S CB -0.492 62.393 63.200 -0.526 0.000 0.872 29 S HN 0.876 nan 8.310 nan 0.000 0.456 30 A N 1.242 123.819 122.820 -0.405 0.000 1.972 30 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 30 A C 2.038 179.525 177.584 -0.162 0.000 1.169 30 A CA 1.571 53.471 52.037 -0.229 0.000 0.635 30 A CB -0.432 18.497 19.000 -0.119 0.000 0.810 30 A HN 0.576 nan 8.150 nan 0.000 0.446 31 E N -0.611 119.519 120.200 -0.116 0.000 2.076 31 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 31 E C 1.929 178.558 176.600 0.047 0.000 0.979 31 E CA 1.662 58.081 56.400 0.032 0.000 0.807 31 E CB -0.683 29.155 29.700 0.230 0.000 0.761 31 E HN 0.979 nan 8.360 nan 0.000 0.454 32 Y N 0.343 120.660 120.300 0.027 0.000 2.269 32 Y HA 0.167 4.717 4.550 -0.000 0.000 0.294 32 Y C 2.458 178.369 175.900 0.019 0.000 1.120 32 Y CA 0.766 58.886 58.100 0.033 0.000 1.159 32 Y CB -0.679 37.802 38.460 0.035 0.000 1.024 32 Y HN -0.215 nan 8.280 nan 0.000 0.532 33 S N 0.637 116.277 115.700 -0.100 0.000 2.389 33 S HA -0.257 4.213 4.470 -0.000 0.000 0.231 33 S C 1.829 176.446 174.600 0.028 0.000 1.052 33 S CA 2.346 60.536 58.200 -0.016 0.000 1.053 33 S CB -0.959 62.151 63.200 -0.151 0.000 0.886 33 S HN 0.805 nan 8.310 nan 0.000 0.456 34 T N -0.261 114.298 114.554 0.008 0.000 3.148 34 T HA 0.137 4.487 4.350 -0.000 0.000 0.253 34 T C 0.486 175.209 174.700 0.039 0.000 1.134 34 T CA 0.037 62.146 62.100 0.015 0.000 1.051 34 T CB -0.017 68.850 68.868 -0.001 0.000 0.959 34 T HN 0.152 nan 8.240 nan 0.000 0.525 35 Q N 1.501 121.342 119.800 0.069 0.000 2.212 35 Q HA 0.378 4.718 4.340 -0.000 0.000 0.238 35 Q C 1.105 177.145 176.000 0.067 0.000 0.955 35 Q CA -0.403 55.444 55.803 0.073 0.000 0.906 35 Q CB 1.759 30.558 28.738 0.102 0.000 1.215 35 Q HN 0.567 nan 8.270 nan 0.000 0.478 36 K N -0.667 119.768 120.400 0.057 0.000 2.166 36 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 36 K C -0.075 176.557 176.600 0.053 0.000 1.052 36 K CA 0.974 57.289 56.287 0.048 0.000 0.969 36 K CB 0.288 32.810 32.500 0.037 0.000 0.761 36 K HN 0.540 nan 8.250 nan 0.000 0.459 37 D N -1.095 119.343 120.400 0.063 0.000 2.592 37 D HA 0.084 4.724 4.640 -0.000 0.000 0.263 37 D C 0.568 176.918 176.300 0.083 0.000 1.132 37 D CA -0.821 53.218 54.000 0.065 0.000 0.996 37 D CB 0.639 41.474 40.800 0.059 0.000 1.442 37 D HN -0.205 nan 8.370 nan 0.000 0.486 38 Q N -0.572 119.277 119.800 0.081 0.000 2.045 38 Q HA -0.118 4.222 4.340 -0.000 0.000 0.206 38 Q C 1.860 177.947 176.000 0.144 0.000 0.991 38 Q CA 1.176 57.035 55.803 0.094 0.000 0.851 38 Q CB -0.447 28.333 28.738 0.070 0.000 0.911 38 Q HN 0.539 nan 8.270 nan 0.000 0.418 39 L N 1.002 122.307 121.223 0.137 0.000 1.990 39 L HA -0.204 4.136 4.340 -0.000 0.000 0.213 39 L C 2.275 179.245 176.870 0.167 0.000 1.072 39 L CA 2.093 57.025 54.840 0.154 0.000 0.755 39 L CB -0.970 41.115 42.059 0.043 0.000 0.889 39 L HN 0.060 nan 8.230 nan 0.000 0.432 40 S N -0.576 115.190 115.700 0.110 0.000 2.370 40 S HA -0.188 4.282 4.470 -0.000 0.000 0.226 40 S C 1.972 176.656 174.600 0.141 0.000 1.033 40 S CA 1.423 59.682 58.200 0.099 0.000 1.011 40 S CB -0.369 62.875 63.200 0.073 0.000 0.852 40 S HN 0.447 nan 8.310 nan 0.000 0.457 41 R N -0.140 120.459 120.500 0.164 0.000 2.081 41 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 41 R C 2.104 178.550 176.300 0.243 0.000 1.131 41 R CA 1.475 57.690 56.100 0.191 0.000 0.960 41 R CB -0.505 29.879 30.300 0.140 0.000 0.856 41 R HN 0.393 nan 8.270 nan 0.000 0.436 42 F N 2.303 122.315 119.950 0.104 0.000 2.046 42 F HA -0.247 4.280 4.527 -0.000 0.000 0.297 42 F C 2.187 178.178 175.800 0.318 0.000 1.123 42 F CA 1.709 59.805 58.000 0.160 0.000 1.199 42 F CB -0.574 38.483 39.000 0.095 0.000 0.972 42 F HN -0.025 nan 8.300 nan 0.000 0.474 43 Q N -0.009 119.859 119.800 0.112 0.000 2.112 43 Q HA -0.202 4.137 4.340 -0.000 0.000 0.206 43 Q C 2.270 178.257 176.000 -0.022 0.000 0.987 43 Q CA 1.690 57.497 55.803 0.007 0.000 0.858 43 Q CB -0.631 28.122 28.738 0.025 0.000 0.905 43 Q HN 0.528 nan 8.270 nan 0.000 0.420 44 A N 0.012 122.882 122.820 0.083 0.000 2.216 44 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 44 A C 1.964 179.683 177.584 0.224 0.000 1.160 44 A CA 1.304 53.417 52.037 0.126 0.000 0.725 44 A CB -0.319 18.788 19.000 0.179 0.000 0.784 44 A HN 0.240 nan 8.150 nan 0.000 0.472 45 T N -1.346 113.343 114.554 0.224 0.000 3.054 45 T HA 0.008 4.358 4.350 -0.000 0.000 0.259 45 T C 1.936 176.798 174.700 0.269 0.000 1.092 45 T CA 0.672 62.993 62.100 0.369 0.000 1.121 45 T CB -0.189 68.904 68.868 0.376 0.000 0.912 45 T HN 0.588 nan 8.240 nan 0.000 0.489 46 R N 1.197 121.578 120.500 -0.197 0.000 2.134 46 R HA -0.145 4.195 4.340 -0.000 0.000 0.248 46 R C -0.971 175.168 176.300 -0.269 0.000 1.143 46 R CA 1.976 57.634 56.100 -0.736 0.000 0.957 46 R CB -0.916 28.593 30.300 -1.318 0.000 0.867 46 R HN 0.309 nan 8.270 nan 0.000 0.441 47 P HA -0.139 nan 4.420 nan 0.000 0.218 47 P C 0.536 177.672 177.300 -0.274 0.000 1.148 47 P CA 1.411 64.320 63.100 -0.319 0.000 0.822 47 P CB -0.035 31.353 31.700 -0.520 0.000 0.784 48 F N -3.473 116.538 119.950 0.101 0.000 2.335 48 F HA -0.015 4.511 4.527 -0.000 0.000 0.296 48 F C 2.379 178.358 175.800 0.298 0.000 1.091 48 F CA 0.599 58.704 58.000 0.174 0.000 1.399 48 F CB -1.156 37.931 39.000 0.145 0.000 1.067 48 F HN -0.129 nan 8.300 nan 0.000 0.520 49 Y N 1.352 121.861 120.300 0.349 0.000 2.200 49 Y HA -0.226 4.324 4.550 -0.000 0.000 0.290 49 Y C 2.758 178.798 175.900 0.233 0.000 1.137 49 Y CA 1.667 59.976 58.100 0.348 0.000 1.163 49 Y CB -0.316 38.445 38.460 0.503 0.000 0.988 49 Y HN -0.084 nan 8.280 nan 0.000 0.518 50 R N 0.872 121.514 120.500 0.237 0.000 2.112 50 R HA -0.210 4.130 4.340 -0.000 0.000 0.242 50 R C 2.004 178.348 176.300 0.073 0.000 1.137 50 R CA 2.245 58.400 56.100 0.092 0.000 0.944 50 R CB -0.680 29.616 30.300 -0.006 0.000 0.857 50 R HN 0.234 nan 8.270 nan 0.000 0.435 51 E N -0.024 120.251 120.200 0.126 0.000 2.160 51 E HA -0.134 4.215 4.350 -0.000 0.000 0.195 51 E C 1.809 178.566 176.600 0.261 0.000 0.991 51 E CA 1.403 57.946 56.400 0.238 0.000 0.810 51 E CB -0.328 29.545 29.700 0.288 0.000 0.742 51 E HN 0.532 nan 8.360 nan 0.000 0.466 52 A N 0.475 123.359 122.820 0.105 0.000 1.929 52 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 52 A C 2.576 180.044 177.584 -0.194 0.000 1.176 52 A CA 1.095 52.963 52.037 -0.282 0.000 0.628 52 A CB -0.472 18.366 19.000 -0.270 0.000 0.816 52 A HN 0.135 nan 8.150 nan 0.000 0.444 53 V N 0.086 119.900 119.914 -0.167 0.000 2.295 53 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 53 V C 2.608 178.693 176.094 -0.015 0.000 1.049 53 V CA 2.278 64.517 62.300 -0.102 0.000 1.024 53 V CB -0.798 30.983 31.823 -0.068 0.000 0.648 53 V HN 0.602 nan 8.190 nan 0.000 0.447 54 R N -0.875 119.647 120.500 0.037 0.000 2.127 54 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 54 R C 2.053 178.377 176.300 0.040 0.000 1.134 54 R CA 1.709 57.843 56.100 0.056 0.000 0.975 54 R CB -0.192 30.170 30.300 0.103 0.000 0.865 54 R HN 0.612 nan 8.270 nan 0.000 0.447 55 H N -1.792 117.259 119.070 -0.031 0.000 2.539 55 H HA 0.181 4.737 4.556 -0.000 0.000 0.267 55 H C 0.951 176.286 175.328 0.013 0.000 0.982 55 H CA 0.820 56.878 56.048 0.016 0.000 1.146 55 H CB 0.829 30.540 29.762 -0.086 0.000 1.382 55 H HN 0.501 nan 8.280 nan 0.000 0.577 56 G N 0.232 109.052 108.800 0.034 0.000 2.136 56 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.242 56 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.242 56 G C 1.056 175.936 174.900 -0.033 0.000 0.989 56 G CA 0.512 45.603 45.100 -0.016 0.000 0.682 56 G HN 0.427 nan 8.290 nan 0.000 0.522 57 L N -0.100 121.092 121.223 -0.052 0.000 2.217 57 L HA 0.076 4.415 4.340 -0.000 0.000 0.211 57 L C 2.703 179.552 176.870 -0.035 0.000 1.107 57 L CA 0.643 55.443 54.840 -0.067 0.000 0.783 57 L CB -0.338 41.618 42.059 -0.171 0.000 0.919 57 L HN 0.272 nan 8.230 nan 0.000 0.442 58 I N -0.003 120.544 120.570 -0.038 0.000 2.500 58 I HA -0.210 3.960 4.170 -0.000 0.000 0.252 58 I C 2.420 178.578 176.117 0.070 0.000 1.142 58 I CA 1.232 62.555 61.300 0.038 0.000 1.451 58 I CB -0.863 37.176 38.000 0.064 0.000 1.093 58 I HN 0.271 nan 8.210 nan 0.000 0.430 59 K N 1.472 121.895 120.400 0.038 0.000 2.211 59 K HA -0.043 4.276 4.320 -0.000 0.000 0.203 59 K C 1.908 178.514 176.600 0.010 0.000 1.050 59 K CA 1.141 57.448 56.287 0.034 0.000 0.945 59 K CB 0.100 32.606 32.500 0.011 0.000 0.732 59 K HN 0.234 nan 8.250 nan 0.000 0.451 60 A N 0.288 123.105 122.820 -0.005 0.000 2.238 60 A HA -0.014 4.306 4.320 -0.000 0.000 0.208 60 A C 1.387 178.970 177.584 -0.002 0.000 1.177 60 A CA 0.405 52.431 52.037 -0.019 0.000 0.804 60 A CB 0.017 18.998 19.000 -0.032 0.000 0.823 60 A HN 0.258 nan 8.150 nan 0.000 0.482 61 Q N -0.479 119.331 119.800 0.016 0.000 2.425 61 Q HA 0.144 4.484 4.340 -0.000 0.000 0.204 61 Q C -0.178 175.819 176.000 -0.005 0.000 0.933 61 Q CA 0.469 56.281 55.803 0.015 0.000 0.939 61 Q CB 0.118 28.875 28.738 0.031 0.000 1.044 61 Q HN 0.382 nan 8.270 nan 0.000 0.513 62 V N 2.279 122.193 119.914 -0.001 0.000 2.495 62 V HA 0.319 4.439 4.120 -0.000 0.000 0.298 62 V C -2.348 173.736 176.094 -0.016 0.000 1.031 62 V CA -2.345 59.951 62.300 -0.006 0.000 0.871 62 V CB 1.793 33.628 31.823 0.019 0.000 0.988 62 V HN -0.061 nan 8.190 nan 0.000 0.432 63 P HA 0.158 nan 4.420 nan 0.000 0.265 63 P C 1.076 178.361 177.300 -0.026 0.000 1.187 63 P CA 0.302 63.385 63.100 -0.028 0.000 0.766 63 P CB 0.678 32.363 31.700 -0.025 0.000 0.820 64 I N 4.971 125.518 120.570 -0.038 0.000 2.118 64 I HA -0.223 3.946 4.170 -0.000 0.000 0.241 64 I C -0.593 175.509 176.117 -0.024 0.000 1.070 64 I CA 1.999 63.277 61.300 -0.036 0.000 1.327 64 I CB -1.580 36.389 38.000 -0.050 0.000 1.034 64 I HN 0.472 nan 8.210 nan 0.000 0.405 65 P HA -0.134 nan 4.420 nan 0.000 0.223 65 P C 1.039 178.333 177.300 -0.009 0.000 1.144 65 P CA 1.093 64.183 63.100 -0.015 0.000 0.783 65 P CB 0.075 31.766 31.700 -0.016 0.000 0.771 66 L N -2.137 119.083 121.223 -0.007 0.000 2.700 66 L HA 0.402 4.742 4.340 -0.000 0.000 0.234 66 L C 1.614 178.490 176.870 0.010 0.000 1.156 66 L CA 0.586 55.428 54.840 0.004 0.000 0.946 66 L CB -1.101 40.961 42.059 0.005 0.000 1.216 66 L HN 0.122 nan 8.230 nan 0.000 0.493 67 G N -1.481 107.320 108.800 0.002 0.000 2.176 67 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.253 67 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.253 67 G C 0.830 175.733 174.900 0.005 0.000 0.979 67 G CA 0.124 45.227 45.100 0.005 0.000 0.641 67 G HN 0.633 nan 8.290 nan 0.000 0.530 68 G N -0.800 108.002 108.800 0.003 0.000 2.489 68 G HA2 0.548 4.508 3.960 -0.000 0.000 0.271 68 G HA3 0.548 4.508 3.960 -0.000 0.000 0.271 68 G C 1.032 175.918 174.900 -0.023 0.000 1.427 68 G CA 1.355 46.455 45.100 -0.000 0.000 1.057 68 G HN 1.288 nan 8.290 nan 0.000 0.532 69 T N -2.924 111.608 114.554 -0.036 0.000 3.170 69 T HA 0.308 4.658 4.350 -0.000 0.000 0.288 69 T C 0.825 175.470 174.700 -0.092 0.000 0.992 69 T CA -0.226 61.835 62.100 -0.064 0.000 0.909 69 T CB -0.202 68.624 68.868 -0.070 0.000 1.133 69 T HN 0.422 nan 8.240 nan 0.000 0.530 70 M N 2.560 122.114 119.600 -0.076 0.000 2.303 70 M HA 0.181 4.660 4.480 -0.000 0.000 0.350 70 M C 0.774 176.983 176.300 -0.151 0.000 1.518 70 M CA 0.534 55.779 55.300 -0.092 0.000 1.070 70 M CB 0.549 33.118 32.600 -0.052 0.000 1.910 70 M HN 0.174 nan 8.290 nan 0.000 0.458 71 E N 2.460 122.492 120.200 -0.280 0.000 2.216 71 E HA 0.068 4.418 4.350 -0.000 0.000 0.192 71 E C 0.141 176.571 176.600 -0.283 0.000 0.973 71 E CA 0.489 56.628 56.400 -0.434 0.000 0.851 71 E CB 0.337 29.452 29.700 -0.975 0.000 0.804 71 E HN 0.838 nan 8.360 nan 0.000 0.477 72 S N -1.055 114.562 115.700 -0.139 0.000 2.627 72 S HA 0.146 4.615 4.470 -0.000 0.000 0.268 72 S C -0.211 174.416 174.600 0.046 0.000 1.130 72 S CA -0.777 57.440 58.200 0.028 0.000 0.819 72 S CB 0.645 63.942 63.200 0.161 0.000 1.100 72 S HN -0.034 nan 8.310 nan 0.000 0.465 73 L N 1.707 122.939 121.223 0.015 0.000 2.313 73 L HA 0.244 4.583 4.340 -0.000 0.000 0.214 73 L C 2.520 179.374 176.870 -0.025 0.000 1.119 73 L CA 1.162 56.006 54.840 0.006 0.000 0.809 73 L CB -1.134 40.929 42.059 0.005 0.000 0.933 73 L HN 0.730 nan 8.230 nan 0.000 0.449 74 V N -0.848 119.005 119.914 -0.101 0.000 2.261 74 V HA -0.333 3.787 4.120 -0.000 0.000 0.246 74 V C 2.414 178.384 176.094 -0.207 0.000 1.047 74 V CA 1.743 63.858 62.300 -0.309 0.000 1.015 74 V CB -0.730 30.780 31.823 -0.521 0.000 0.642 74 V HN 0.436 nan 8.190 nan 0.000 0.446 75 H N -0.058 118.918 119.070 -0.157 0.000 2.321 75 H HA -0.244 4.312 4.556 -0.000 0.000 0.295 75 H C 2.323 177.635 175.328 -0.026 0.000 1.102 75 H CA 2.216 58.214 56.048 -0.084 0.000 1.266 75 H CB -0.135 29.588 29.762 -0.064 0.000 1.363 75 H HN 0.467 nan 8.280 nan 0.000 0.492 76 E N 0.169 120.435 120.200 0.110 0.000 2.085 76 E HA -0.143 4.206 4.350 -0.000 0.000 0.194 76 E C 2.282 178.940 176.600 0.096 0.000 0.994 76 E CA 1.551 58.004 56.400 0.088 0.000 0.801 76 E CB -0.165 29.570 29.700 0.059 0.000 0.743 76 E HN 0.297 nan 8.360 nan 0.000 0.453 77 S N -0.276 115.472 115.700 0.080 0.000 2.368 77 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 77 S C 1.937 176.663 174.600 0.209 0.000 1.030 77 S CA 1.213 59.505 58.200 0.154 0.000 0.999 77 S CB -0.303 63.026 63.200 0.216 0.000 0.844 77 S HN 0.302 nan 8.310 nan 0.000 0.459 78 I N 1.138 121.809 120.570 0.168 0.000 2.226 78 I HA -0.184 3.985 4.170 -0.000 0.000 0.245 78 I C 1.957 178.181 176.117 0.178 0.000 1.100 78 I CA 1.197 62.611 61.300 0.190 0.000 1.374 78 I CB -0.351 37.706 38.000 0.095 0.000 1.057 78 I HN 0.256 nan 8.210 nan 0.000 0.413 79 I N 0.235 120.902 120.570 0.162 0.000 2.252 79 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 79 I C 2.387 178.634 176.117 0.217 0.000 1.102 79 I CA 1.314 62.724 61.300 0.183 0.000 1.385 79 I CB -0.250 37.849 38.000 0.165 0.000 1.064 79 I HN 0.176 nan 8.210 nan 0.000 0.414 80 L N 0.253 121.603 121.223 0.213 0.000 2.056 80 L HA -0.191 4.148 4.340 -0.000 0.000 0.207 80 L C 2.609 179.667 176.870 0.313 0.000 1.078 80 L CA 1.341 56.349 54.840 0.279 0.000 0.749 80 L CB -0.625 41.529 42.059 0.159 0.000 0.901 80 L HN 0.325 nan 8.230 nan 0.000 0.433 81 E N 0.255 120.580 120.200 0.208 0.000 2.058 81 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 81 E C 2.023 178.756 176.600 0.222 0.000 0.997 81 E CA 1.290 57.803 56.400 0.189 0.000 0.801 81 E CB 0.199 29.993 29.700 0.157 0.000 0.746 81 E HN 0.356 nan 8.360 nan 0.000 0.450 82 E N 0.429 120.754 120.200 0.208 0.000 2.058 82 E HA -0.195 4.154 4.350 -0.000 0.000 0.194 82 E C 2.171 178.884 176.600 0.188 0.000 0.997 82 E CA 0.695 57.205 56.400 0.182 0.000 0.801 82 E CB -0.359 29.444 29.700 0.172 0.000 0.746 82 E HN 0.242 nan 8.360 nan 0.000 0.450 83 L N -0.258 121.106 121.223 0.236 0.000 2.017 83 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 83 L C 2.301 179.225 176.870 0.090 0.000 1.073 83 L CA 1.459 56.405 54.840 0.177 0.000 0.745 83 L CB -0.886 41.298 42.059 0.208 0.000 0.894 83 L HN 0.067 nan 8.230 nan 0.000 0.432 84 F N -0.771 119.252 119.950 0.121 0.000 2.407 84 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 84 F C 2.319 178.174 175.800 0.092 0.000 1.097 84 F CA 0.785 58.858 58.000 0.120 0.000 1.422 84 F CB -0.686 38.387 39.000 0.121 0.000 1.067 84 F HN 0.046 nan 8.300 nan 0.000 0.539 85 A N -0.888 122.066 122.820 0.223 0.000 2.172 85 A HA 0.030 4.349 4.320 -0.000 0.000 0.216 85 A C 2.038 179.661 177.584 0.064 0.000 1.154 85 A CA 1.532 53.650 52.037 0.135 0.000 0.701 85 A CB -0.553 18.520 19.000 0.122 0.000 0.789 85 A HN 0.213 nan 8.150 nan 0.000 0.465 86 V N -1.503 118.435 119.914 0.040 0.000 2.950 86 V HA 0.197 4.316 4.120 -0.000 0.000 0.231 86 V C 0.218 176.284 176.094 -0.047 0.000 1.205 86 V CA 1.050 63.341 62.300 -0.015 0.000 1.239 86 V CB 0.521 32.329 31.823 -0.025 0.000 1.050 86 V HN 0.509 nan 8.190 nan 0.000 0.498 87 E N -0.104 120.049 120.200 -0.078 0.000 2.448 87 E HA 0.335 4.684 4.350 -0.000 0.000 0.288 87 E C -2.592 173.876 176.600 -0.220 0.000 0.936 87 E CA -1.609 54.726 56.400 -0.108 0.000 0.809 87 E CB 1.976 31.618 29.700 -0.097 0.000 1.408 87 E HN 0.088 nan 8.360 nan 0.000 0.393 88 P HA 0.058 nan 4.420 nan 0.000 0.239 88 P C -0.365 176.831 177.300 -0.172 0.000 1.184 88 P CA 0.554 63.422 63.100 -0.386 0.000 0.760 88 P CB 0.248 31.953 31.700 0.009 0.000 0.884 89 A N -1.029 121.712 122.820 -0.131 0.000 2.354 89 A HA 0.457 4.777 4.320 -0.000 0.000 0.269 89 A C 1.304 178.904 177.584 0.026 0.000 1.109 89 A CA 0.654 52.641 52.037 -0.083 0.000 0.800 89 A CB -0.421 18.447 19.000 -0.219 0.000 1.045 89 A HN 0.127 nan 8.150 nan 0.000 0.489 90 T N 1.201 115.856 114.554 0.167 0.000 12.481 90 T HA -0.305 4.045 4.350 -0.000 0.000 0.418 90 T C 1.932 176.813 174.700 0.302 0.000 1.450 90 T CA 2.422 64.721 62.100 0.332 0.000 2.393 90 T CB -1.859 67.240 68.868 0.385 0.000 2.837 90 T HN 0.922 nan 8.240 nan 0.000 0.792 91 S N 0.758 116.538 115.700 0.134 0.000 2.381 91 S HA -0.179 4.290 4.470 -0.000 0.000 0.230 91 S C 1.762 176.474 174.600 0.186 0.000 1.052 91 S CA 1.946 60.172 58.200 0.043 0.000 1.068 91 S CB -0.444 62.495 63.200 -0.436 0.000 0.918 91 S HN 0.599 nan 8.310 nan 0.000 0.448 92 I N 1.595 122.266 120.570 0.168 0.000 2.361 92 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 92 I C 2.033 178.318 176.117 0.280 0.000 1.133 92 I CA 1.471 62.976 61.300 0.341 0.000 1.413 92 I CB -0.612 37.550 38.000 0.271 0.000 1.073 92 I HN 0.183 nan 8.210 nan 0.000 0.424 93 T N 0.915 115.640 114.554 0.286 0.000 2.857 93 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 93 T C 1.975 176.903 174.700 0.380 0.000 1.048 93 T CA 1.702 63.972 62.100 0.282 0.000 1.139 93 T CB -0.289 68.773 68.868 0.323 0.000 0.874 93 T HN 0.319 nan 8.240 nan 0.000 0.455 94 I N 1.950 122.793 120.570 0.455 0.000 2.208 94 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 94 I C 2.653 178.927 176.117 0.262 0.000 1.097 94 I CA 1.255 62.785 61.300 0.384 0.000 1.363 94 I CB -0.714 37.447 38.000 0.268 0.000 1.051 94 I HN 0.191 nan 8.210 nan 0.000 0.413 95 V N -1.105 118.963 119.914 0.256 0.000 2.719 95 V HA 0.040 4.159 4.120 -0.000 0.000 0.252 95 V C 2.534 178.695 176.094 0.112 0.000 1.065 95 V CA 1.255 63.664 62.300 0.182 0.000 1.086 95 V CB -0.952 31.000 31.823 0.215 0.000 0.700 95 V HN 0.296 nan 8.190 nan 0.000 0.467 96 A N 0.771 123.667 122.820 0.127 0.000 1.929 96 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 96 A C 2.322 179.916 177.584 0.015 0.000 1.176 96 A CA 2.285 54.355 52.037 0.054 0.000 0.628 96 A CB -1.189 17.840 19.000 0.048 0.000 0.816 96 A HN 0.513 nan 8.150 nan 0.000 0.444 97 T N 0.317 114.914 114.554 0.072 0.000 2.720 97 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 97 T C 2.203 176.864 174.700 -0.065 0.000 1.037 97 T CA 1.659 63.787 62.100 0.046 0.000 1.144 97 T CB -0.401 68.609 68.868 0.236 0.000 0.864 97 T HN 0.588 nan 8.240 nan 0.000 0.444 98 A N 1.055 123.866 122.820 -0.014 0.000 1.933 98 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 98 A C 2.281 179.793 177.584 -0.119 0.000 1.175 98 A CA 0.955 52.957 52.037 -0.059 0.000 0.628 98 A CB -0.750 18.247 19.000 -0.005 0.000 0.814 98 A HN 0.471 nan 8.150 nan 0.000 0.444 99 L N -0.636 120.512 121.223 -0.124 0.000 2.141 99 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 99 L C 2.440 179.169 176.870 -0.236 0.000 1.094 99 L CA 1.623 56.338 54.840 -0.208 0.000 0.763 99 L CB -0.777 41.150 42.059 -0.220 0.000 0.908 99 L HN 0.472 nan 8.230 nan 0.000 0.437 100 G N -0.261 108.425 108.800 -0.191 0.000 2.422 100 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 100 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 100 G C 1.538 176.291 174.900 -0.245 0.000 1.140 100 G CA 0.262 45.244 45.100 -0.197 0.000 0.775 100 G HN 0.338 nan 8.290 nan 0.000 0.545 101 L N -0.209 120.846 121.223 -0.280 0.000 2.313 101 L HA 0.100 4.440 4.340 -0.000 0.000 0.214 101 L C 2.919 179.671 176.870 -0.197 0.000 1.119 101 L CA 0.252 54.924 54.840 -0.281 0.000 0.809 101 L CB -0.364 41.512 42.059 -0.304 0.000 0.933 101 L HN 0.241 nan 8.230 nan 0.000 0.449 102 M N 0.243 119.727 119.600 -0.193 0.000 2.080 102 M HA -0.171 4.308 4.480 -0.000 0.000 0.260 102 M C -0.280 175.924 176.300 -0.160 0.000 1.068 102 M CA 2.320 57.518 55.300 -0.169 0.000 1.109 102 M CB -1.278 31.206 32.600 -0.193 0.000 1.342 102 M HN 0.078 nan 8.290 nan 0.000 0.405 103 P HA -0.115 nan 4.420 nan 0.000 0.219 103 P C 1.437 178.655 177.300 -0.136 0.000 1.146 103 P CA 1.179 64.183 63.100 -0.160 0.000 0.808 103 P CB -0.060 31.537 31.700 -0.172 0.000 0.779 104 V N -0.737 119.097 119.914 -0.133 0.000 2.446 104 V HA -0.143 3.977 4.120 -0.000 0.000 0.244 104 V C 2.302 178.356 176.094 -0.067 0.000 1.039 104 V CA 1.228 63.471 62.300 -0.094 0.000 1.045 104 V CB -0.952 30.827 31.823 -0.073 0.000 0.681 104 V HN 0.030 nan 8.190 nan 0.000 0.459 105 I N -0.093 120.430 120.570 -0.077 0.000 2.335 105 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 105 I C 2.075 178.155 176.117 -0.061 0.000 1.129 105 I CA 1.720 62.984 61.300 -0.060 0.000 1.402 105 I CB -0.197 37.763 38.000 -0.066 0.000 1.069 105 I HN 0.277 nan 8.210 nan 0.000 0.424 106 L N 0.119 121.294 121.223 -0.080 0.000 2.477 106 L HA 0.053 4.393 4.340 -0.000 0.000 0.220 106 L C 1.553 178.372 176.870 -0.084 0.000 1.106 106 L CA -0.407 54.382 54.840 -0.085 0.000 0.851 106 L CB -0.258 41.737 42.059 -0.107 0.000 0.994 106 L HN 0.440 nan 8.230 nan 0.000 0.462 107 C N 0.321 119.575 119.300 -0.077 0.000 2.703 107 C HA 0.130 4.590 4.460 -0.000 0.000 0.411 107 C C 0.910 175.871 174.990 -0.049 0.000 1.290 107 C CA -0.722 58.255 59.018 -0.068 0.000 2.054 107 C CB -0.128 27.572 27.740 -0.067 0.000 2.732 107 C HN 0.608 nan 8.230 nan 0.000 0.650 108 D N 0.962 121.335 120.400 -0.044 0.000 3.071 108 D HA 0.313 4.953 4.640 -0.000 0.000 0.259 108 D C -0.073 176.217 176.300 -0.017 0.000 1.331 108 D CA 0.041 54.022 54.000 -0.032 0.000 0.861 108 D CB -0.077 40.702 40.800 -0.036 0.000 1.059 108 D HN 0.602 nan 8.370 nan 0.000 0.486 109 S N 0.543 116.237 115.700 -0.010 0.000 2.496 109 S HA 0.344 4.814 4.470 -0.000 0.000 0.221 109 S C -2.060 172.552 174.600 0.019 0.000 1.260 109 S CA -1.284 56.919 58.200 0.005 0.000 1.181 109 S CB 1.171 64.373 63.200 0.004 0.000 1.136 109 S HN -0.126 nan 8.310 nan 0.000 0.467 110 P HA -0.115 nan 4.420 nan 0.000 0.218 110 P C 1.626 178.946 177.300 0.034 0.000 1.148 110 P CA 1.221 64.334 63.100 0.022 0.000 0.822 110 P CB 0.051 31.759 31.700 0.014 0.000 0.784 111 S N -1.707 114.015 115.700 0.036 0.000 2.453 111 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 111 S C 1.799 176.440 174.600 0.070 0.000 1.005 111 S CA 0.529 58.754 58.200 0.040 0.000 0.949 111 S CB -1.162 62.058 63.200 0.034 0.000 0.774 111 S HN -0.054 nan 8.310 nan 0.000 0.510 112 L N 1.641 122.927 121.223 0.104 0.000 2.102 112 L HA 0.191 4.531 4.340 -0.000 0.000 0.202 112 L C 2.704 179.714 176.870 0.233 0.000 1.076 112 L CA 1.630 56.597 54.840 0.212 0.000 0.761 112 L CB -1.005 41.147 42.059 0.156 0.000 0.921 112 L HN 0.333 nan 8.230 nan 0.000 0.444 113 Q N -0.827 119.049 119.800 0.127 0.000 2.084 113 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 113 Q C 2.040 178.097 176.000 0.095 0.000 0.978 113 Q CA 1.579 57.444 55.803 0.104 0.000 0.844 113 Q CB -0.344 28.425 28.738 0.052 0.000 0.898 113 Q HN 0.478 nan 8.270 nan 0.000 0.426 114 E N 1.620 121.857 120.200 0.062 0.000 2.070 114 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 114 E C 1.829 178.441 176.600 0.020 0.000 1.004 114 E CA 1.414 57.835 56.400 0.035 0.000 0.805 114 E CB 0.048 29.758 29.700 0.016 0.000 0.744 114 E HN 0.228 nan 8.360 nan 0.000 0.451 115 K N -0.825 119.573 120.400 -0.004 0.000 1.975 115 K HA -0.086 4.234 4.320 -0.000 0.000 0.210 115 K C 2.245 178.761 176.600 -0.140 0.000 1.041 115 K CA 1.308 57.507 56.287 -0.147 0.000 0.942 115 K CB -0.272 32.037 32.500 -0.319 0.000 0.729 115 K HN 0.048 nan 8.250 nan 0.000 0.439 116 F N 1.195 121.190 119.950 0.075 0.000 2.456 116 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 116 F C 1.740 177.660 175.800 0.201 0.000 1.104 116 F CA 0.588 58.660 58.000 0.121 0.000 1.435 116 F CB 0.081 39.133 39.000 0.088 0.000 1.078 116 F HN 0.017 nan 8.300 nan 0.000 0.546 117 L N -0.269 121.132 121.223 0.296 0.000 2.591 117 L HA -0.029 4.311 4.340 -0.000 0.000 0.228 117 L C 2.262 179.289 176.870 0.262 0.000 1.133 117 L CA 0.352 55.363 54.840 0.286 0.000 0.880 117 L CB -0.389 41.764 42.059 0.158 0.000 1.033 117 L HN 0.101 nan 8.230 nan 0.000 0.450 118 K N 1.228 121.729 120.400 0.170 0.000 2.002 118 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 118 K C -0.463 176.171 176.600 0.058 0.000 1.048 118 K CA 1.394 57.730 56.287 0.081 0.000 0.930 118 K CB -0.583 31.927 32.500 0.018 0.000 0.714 118 K HN 0.164 nan 8.250 nan 0.000 0.438 119 P HA -0.118 nan 4.420 nan 0.000 0.215 119 P C 0.842 178.061 177.300 -0.134 0.000 1.157 119 P CA 1.305 64.316 63.100 -0.149 0.000 0.863 119 P CB -0.074 31.399 31.700 -0.378 0.000 0.787 120 F N -0.584 119.417 119.950 0.085 0.000 2.451 120 F HA -0.032 4.495 4.527 -0.000 0.000 0.299 120 F C 1.924 177.757 175.800 0.054 0.000 1.101 120 F CA 0.819 58.872 58.000 0.087 0.000 1.436 120 F CB -1.008 38.049 39.000 0.095 0.000 1.074 120 F HN -0.048 nan 8.300 nan 0.000 0.553 121 I N -3.031 117.647 120.570 0.179 0.000 4.018 121 I HA 0.186 4.356 4.170 -0.000 0.000 0.337 121 I C 1.817 177.965 176.117 0.052 0.000 1.327 121 I CA 0.403 61.765 61.300 0.102 0.000 1.100 121 I CB -0.352 37.699 38.000 0.085 0.000 1.025 121 I HN -0.012 nan 8.210 nan 0.000 0.396 122 S N 0.932 116.654 115.700 0.037 0.000 2.461 122 S HA 0.218 4.687 4.470 -0.000 0.000 0.228 122 S C 1.845 176.448 174.600 0.006 0.000 1.005 122 S CA 0.624 58.831 58.200 0.012 0.000 0.942 122 S CB -0.436 62.762 63.200 -0.005 0.000 0.776 122 S HN 0.903 nan 8.310 nan 0.000 0.514 123 G N 1.412 110.218 108.800 0.011 0.000 2.143 123 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.249 123 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.249 123 G C -0.229 174.671 174.900 0.001 0.000 0.981 123 G CA 0.353 45.455 45.100 0.003 0.000 0.665 123 G HN 0.968 nan 8.290 nan 0.000 0.528 124 E N -1.238 118.964 120.200 0.003 0.000 2.456 124 E HA 0.674 5.024 4.350 -0.000 0.000 0.276 124 E C 0.700 177.308 176.600 0.014 0.000 0.981 124 E CA -0.478 55.924 56.400 0.003 0.000 0.814 124 E CB 1.520 31.217 29.700 -0.005 0.000 1.382 124 E HN 1.786 nan 8.360 nan 0.000 0.459 125 G N 0.838 109.650 108.800 0.019 0.000 2.698 125 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.233 125 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.233 125 G C -0.693 174.279 174.900 0.119 0.000 1.352 125 G CA 0.209 45.334 45.100 0.042 0.000 0.879 125 G HN 0.586 nan 8.290 nan 0.000 0.567 126 E N 1.179 121.502 120.200 0.206 0.000 3.898 126 E HA 0.387 4.737 4.350 -0.000 0.000 0.219 126 E C -2.443 174.488 176.600 0.552 0.000 1.207 126 E CA -1.183 55.520 56.400 0.505 0.000 1.240 126 E CB 1.551 31.538 29.700 0.478 0.000 1.239 126 E HN 0.501 nan 8.360 nan 0.000 0.422 127 P HA 0.114 nan 4.420 nan 0.000 0.276 127 P C -0.439 177.081 177.300 0.367 0.000 1.235 127 P CA -0.098 63.048 63.100 0.078 0.000 0.772 127 P CB 1.072 32.430 31.700 -0.570 0.000 0.871 128 L N 2.188 123.592 121.223 0.301 0.000 2.334 128 L HA 0.854 5.194 4.340 -0.000 0.000 0.270 128 L C 0.485 177.660 176.870 0.510 0.000 1.018 128 L CA -0.973 54.047 54.840 0.301 0.000 0.811 128 L CB 1.594 43.600 42.059 -0.088 0.000 1.271 128 L HN 0.374 nan 8.230 nan 0.000 0.443 129 A N 0.879 123.860 122.820 0.268 0.000 2.498 129 A HA 0.783 5.103 4.320 -0.000 0.000 0.298 129 A C -0.998 176.584 177.584 -0.003 0.000 1.075 129 A CA -0.493 51.587 52.037 0.071 0.000 0.714 129 A CB 2.091 20.906 19.000 -0.309 0.000 1.299 129 A HN 0.496 nan 8.150 nan 0.000 0.407 130 S N 0.719 116.407 115.700 -0.019 0.000 2.668 130 S HA 0.455 4.925 4.470 -0.000 0.000 0.277 130 S C -1.576 172.998 174.600 -0.044 0.000 1.170 130 S CA -0.465 57.719 58.200 -0.027 0.000 0.994 130 S CB 0.941 64.143 63.200 0.003 0.000 1.051 130 S HN 1.388 nan 8.310 nan 0.000 0.484 131 L N 6.595 127.772 121.223 -0.077 0.000 2.385 131 L HA 0.489 4.828 4.340 -0.000 0.000 0.285 131 L C -0.201 176.682 176.870 0.022 0.000 1.125 131 L CA 0.420 55.210 54.840 -0.083 0.000 0.890 131 L CB -0.303 41.620 42.059 -0.228 0.000 1.251 131 L HN 0.756 nan 8.230 nan 0.000 0.445 132 M N 5.209 124.831 119.600 0.038 0.000 2.557 132 M HA 0.105 4.585 4.480 -0.000 0.000 0.328 132 M C 0.638 176.994 176.300 0.093 0.000 1.423 132 M CA 0.173 55.517 55.300 0.072 0.000 1.418 132 M CB 0.029 32.676 32.600 0.078 0.000 1.381 132 M HN 0.661 nan 8.290 nan 0.000 0.467 133 H N 0.570 119.646 119.070 0.010 0.000 2.274 133 H HA 0.234 4.790 4.556 -0.000 0.000 0.271 133 H C 0.211 175.473 175.328 -0.109 0.000 0.945 133 H CA 0.151 56.154 56.048 -0.075 0.000 1.200 133 H CB 0.687 30.420 29.762 -0.048 0.000 1.456 133 H HN 0.468 nan 8.280 nan 0.000 0.536 134 S N 1.514 117.199 115.700 -0.024 0.000 2.563 134 S HA 0.082 4.552 4.470 -0.000 0.000 0.284 134 S C -0.114 174.474 174.600 -0.021 0.000 1.331 134 S CA 0.207 58.387 58.200 -0.034 0.000 1.047 134 S CB 1.008 64.304 63.200 0.160 0.000 0.859 134 S HN 0.378 nan 8.310 nan 0.000 0.514 135 E N 1.127 121.313 120.200 -0.022 0.000 2.393 135 E HA 0.251 4.601 4.350 -0.000 0.000 0.273 135 E C -2.164 174.424 176.600 -0.020 0.000 0.918 135 E CA -2.222 54.150 56.400 -0.048 0.000 0.773 135 E CB 1.418 31.071 29.700 -0.077 0.000 1.275 135 E HN 0.182 nan 8.360 nan 0.000 0.451 136 P HA -0.129 nan 4.420 nan 0.000 0.219 136 P C 0.330 177.621 177.300 -0.014 0.000 1.146 136 P CA 1.357 64.383 63.100 -0.123 0.000 0.808 136 P CB 0.152 31.746 31.700 -0.176 0.000 0.779 137 N N -1.226 117.473 118.700 -0.003 0.000 2.398 137 N HA 0.172 4.912 4.740 -0.000 0.000 0.188 137 N C 0.691 176.216 175.510 0.026 0.000 1.122 137 N CA 0.304 53.363 53.050 0.015 0.000 0.866 137 N CB 0.164 38.658 38.487 0.013 0.000 0.970 137 N HN 0.118 nan 8.380 nan 0.000 0.462 138 G N 0.463 109.282 108.800 0.032 0.000 2.707 138 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.686 138 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.686 138 G C 0.220 175.118 174.900 -0.004 0.000 1.315 138 G CA -0.112 45.003 45.100 0.024 0.000 0.832 138 G HN 0.174 nan 8.290 nan 0.000 0.573 139 T N -3.280 111.263 114.554 -0.018 0.000 3.130 139 T HA 0.598 4.948 4.350 -0.000 0.000 0.288 139 T C 2.132 176.900 174.700 0.114 0.000 0.936 139 T CA 1.387 63.474 62.100 -0.020 0.000 0.897 139 T CB 0.493 69.209 68.868 -0.254 0.000 1.178 139 T HN 2.113 nan 8.240 nan 0.000 0.543 140 A N 2.617 125.480 122.820 0.072 0.000 2.024 140 A HA -0.037 4.282 4.320 -0.000 0.000 0.220 140 A C 1.736 179.415 177.584 0.159 0.000 1.164 140 A CA 1.600 53.692 52.037 0.093 0.000 0.643 140 A CB -0.773 18.245 19.000 0.031 0.000 0.806 140 A HN 0.641 nan 8.150 nan 0.000 0.451 141 N N -0.709 118.085 118.700 0.158 0.000 2.214 141 N HA 0.054 4.794 4.740 -0.000 0.000 0.214 141 N C 1.107 176.707 175.510 0.152 0.000 1.132 141 N CA 0.195 53.315 53.050 0.117 0.000 0.856 141 N CB 0.107 38.631 38.487 0.061 0.000 1.020 141 N HN 0.819 nan 8.380 nan 0.000 0.509 142 W N 0.662 121.956 121.300 -0.009 0.000 2.341 142 W HA -0.118 4.542 4.660 -0.000 0.000 0.283 142 W C 0.085 176.607 176.519 0.004 0.000 1.215 142 W CA 0.619 57.960 57.345 -0.006 0.000 1.211 142 W CB -0.819 28.641 29.460 -0.000 0.000 1.131 142 W HN 0.086 nan 8.180 nan 0.000 0.552 143 L N 1.079 122.005 121.223 -0.496 0.000 2.700 143 L HA 0.209 4.549 4.340 -0.000 0.000 0.234 143 L C 1.336 178.063 176.870 -0.238 0.000 1.156 143 L CA -0.095 54.428 54.840 -0.528 0.000 0.946 143 L CB -0.598 41.012 42.059 -0.748 0.000 1.216 143 L HN -0.102 nan 8.230 nan 0.000 0.493 144 Q N 2.456 122.180 119.800 -0.127 0.000 2.289 144 Q HA 0.034 4.374 4.340 -0.000 0.000 0.273 144 Q C -0.115 175.845 176.000 -0.067 0.000 1.029 144 Q CA 0.165 55.923 55.803 -0.075 0.000 0.896 144 Q CB 0.743 29.462 28.738 -0.033 0.000 1.182 144 Q HN 0.126 nan 8.270 nan 0.000 0.385 145 K N 2.274 122.636 120.400 -0.063 0.000 2.383 145 K HA 0.141 4.460 4.320 -0.000 0.000 0.286 145 K C 0.466 177.046 176.600 -0.032 0.000 1.051 145 K CA 1.006 57.263 56.287 -0.050 0.000 0.974 145 K CB 0.248 32.720 32.500 -0.047 0.000 0.968 145 K HN 0.971 nan 8.250 nan 0.000 0.475 146 G N 2.395 111.181 108.800 -0.024 0.000 2.195 146 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.224 146 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.224 146 G C 0.302 175.197 174.900 -0.008 0.000 0.990 146 G CA -0.237 44.854 45.100 -0.015 0.000 0.639 146 G HN 0.868 nan 8.290 nan 0.000 0.514 147 G N -0.156 108.639 108.800 -0.009 0.000 2.491 147 G HA2 0.668 4.628 3.960 -0.000 0.000 0.327 147 G HA3 0.668 4.628 3.960 -0.000 0.000 0.327 147 G C -0.453 174.453 174.900 0.009 0.000 1.189 147 G CA -0.408 44.693 45.100 0.001 0.000 0.956 147 G HN -0.003 nan 8.290 nan 0.000 0.491 148 P HA -0.104 nan 4.420 nan 0.000 0.219 148 P C 1.325 178.645 177.300 0.034 0.000 1.158 148 P CA 2.149 65.264 63.100 0.025 0.000 0.895 148 P CB -0.243 31.475 31.700 0.029 0.000 0.792 149 G N -1.401 107.427 108.800 0.047 0.000 2.855 149 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.352 149 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.352 149 G C -0.517 174.439 174.900 0.093 0.000 1.415 149 G CA -0.510 44.635 45.100 0.075 0.000 0.871 149 G HN 0.335 nan 8.290 nan 0.000 0.543 150 L N 0.503 121.805 121.223 0.131 0.000 2.559 150 L HA 0.024 4.364 4.340 -0.000 0.000 0.282 150 L C 1.837 178.731 176.870 0.041 0.000 1.232 150 L CA 0.069 54.953 54.840 0.073 0.000 0.885 150 L CB 0.459 42.560 42.059 0.071 0.000 1.131 150 L HN 0.602 nan 8.230 nan 0.000 0.498 151 Q N 0.726 120.538 119.800 0.019 0.000 2.398 151 Q HA 0.054 4.394 4.340 -0.000 0.000 0.204 151 Q C 0.304 176.321 176.000 0.028 0.000 0.932 151 Q CA 0.406 56.224 55.803 0.025 0.000 0.916 151 Q CB 0.123 28.875 28.738 0.024 0.000 1.024 151 Q HN 0.633 nan 8.270 nan 0.000 0.504 152 T N 2.673 117.235 114.554 0.013 0.000 2.727 152 T HA 0.241 4.591 4.350 -0.000 0.000 0.295 152 T C 0.258 174.954 174.700 -0.006 0.000 0.915 152 T CA -0.059 62.045 62.100 0.006 0.000 1.066 152 T CB 0.530 69.382 68.868 -0.027 0.000 0.891 152 T HN 0.218 nan 8.240 nan 0.000 0.516 153 T N 0.470 115.030 114.554 0.010 0.000 2.918 153 T HA 0.842 5.191 4.350 -0.000 0.000 0.286 153 T C -0.462 174.256 174.700 0.029 0.000 1.026 153 T CA -1.070 61.046 62.100 0.026 0.000 1.031 153 T CB 1.952 70.848 68.868 0.047 0.000 1.046 153 T HN 0.586 nan 8.240 nan 0.000 0.479 154 A N 1.973 124.835 122.820 0.070 0.000 2.401 154 A HA 0.936 5.255 4.320 -0.000 0.000 0.310 154 A C -0.312 177.437 177.584 0.276 0.000 1.075 154 A CA -1.326 50.805 52.037 0.156 0.000 0.746 154 A CB 1.398 20.464 19.000 0.110 0.000 1.277 154 A HN 1.200 nan 8.150 nan 0.000 0.425 155 R N 0.798 121.487 120.500 0.316 0.000 2.698 155 R HA 0.632 4.972 4.340 -0.000 0.000 0.275 155 R C -1.066 175.223 176.300 -0.020 0.000 1.001 155 R CA -0.849 55.365 56.100 0.190 0.000 0.896 155 R CB 1.555 31.891 30.300 0.060 0.000 1.218 155 R HN 0.524 nan 8.270 nan 0.000 0.462 156 K N 1.850 121.973 120.400 -0.461 0.000 2.297 156 K HA 0.325 4.645 4.320 -0.000 0.000 0.286 156 K C -1.179 175.177 176.600 -0.408 0.000 1.053 156 K CA -0.523 55.243 56.287 -0.869 0.000 0.940 156 K CB 1.331 33.138 32.500 -1.154 0.000 1.019 156 K HN 0.431 nan 8.250 nan 0.000 0.475 157 V N 4.953 124.667 119.914 -0.332 0.000 2.398 157 V HA 0.345 4.465 4.120 -0.000 0.000 0.282 157 V C 0.584 176.593 176.094 -0.143 0.000 1.014 157 V CA 0.203 62.400 62.300 -0.172 0.000 0.838 157 V CB 0.545 32.315 31.823 -0.089 0.000 1.018 157 V HN 1.203 nan 8.190 nan 0.000 0.432 158 G N 4.672 113.386 108.800 -0.144 0.000 2.556 158 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.283 158 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.283 158 G C 0.576 175.377 174.900 -0.165 0.000 1.177 158 G CA 0.646 45.675 45.100 -0.118 0.000 0.978 158 G HN 0.767 nan 8.290 nan 0.000 0.554 159 N N 2.428 121.062 118.700 -0.109 0.000 2.558 159 N HA 0.260 5.000 4.740 -0.000 0.000 0.281 159 N C 0.026 175.528 175.510 -0.014 0.000 1.219 159 N CA 0.858 53.843 53.050 -0.107 0.000 0.942 159 N CB -0.197 38.252 38.487 -0.063 0.000 1.241 159 N HN 0.783 nan 8.380 nan 0.000 0.511 160 E N -1.079 119.087 120.200 -0.057 0.000 2.423 160 E HA 0.264 4.614 4.350 -0.000 0.000 0.280 160 E C -1.599 174.955 176.600 -0.076 0.000 1.030 160 E CA -1.005 55.439 56.400 0.073 0.000 0.812 160 E CB 0.521 30.313 29.700 0.154 0.000 1.313 160 E HN -0.004 nan 8.360 nan 0.000 0.456 161 W N 0.603 121.935 121.300 0.054 0.000 2.578 161 W HA 0.586 5.245 4.660 -0.000 0.000 0.346 161 W C -0.843 175.627 176.519 -0.081 0.000 1.075 161 W CA -0.680 56.668 57.345 0.005 0.000 1.233 161 W CB 1.960 31.438 29.460 0.029 0.000 1.358 161 W HN 0.275 nan 8.180 nan 0.000 0.574 162 V N 4.678 124.663 119.914 0.118 0.000 2.407 162 V HA 0.375 4.495 4.120 -0.000 0.000 0.291 162 V C -0.074 176.069 176.094 0.081 0.000 1.018 162 V CA -0.978 61.301 62.300 -0.036 0.000 0.842 162 V CB 0.774 32.474 31.823 -0.206 0.000 0.996 162 V HN 0.356 nan 8.190 nan 0.000 0.426 163 I N 3.454 124.088 120.570 0.107 0.000 2.396 163 I HA 0.519 4.688 4.170 -0.000 0.000 0.292 163 I C 0.272 176.456 176.117 0.112 0.000 0.999 163 I CA 0.183 61.502 61.300 0.031 0.000 1.310 163 I CB 1.626 39.495 38.000 -0.218 0.000 1.404 163 I HN 0.522 nan 8.210 nan 0.000 0.496 164 S N 3.129 118.878 115.700 0.082 0.000 2.575 164 S HA 0.858 5.328 4.470 -0.000 0.000 0.278 164 S C -0.075 174.596 174.600 0.119 0.000 1.139 164 S CA -0.406 57.874 58.200 0.133 0.000 0.954 164 S CB 2.025 65.283 63.200 0.096 0.000 1.054 164 S HN 1.145 nan 8.310 nan 0.000 0.483 165 G N 2.586 111.485 108.800 0.165 0.000 2.331 165 G HA2 0.155 4.115 3.960 -0.000 0.000 0.402 165 G HA3 0.155 4.115 3.960 -0.000 0.000 0.402 165 G C -1.998 173.012 174.900 0.184 0.000 1.275 165 G CA -0.911 44.267 45.100 0.130 0.000 1.003 165 G HN 0.595 nan 8.290 nan 0.000 0.500 166 E N -0.030 120.243 120.200 0.121 0.000 2.256 166 E HA 0.642 4.992 4.350 -0.000 0.000 0.267 166 E C -0.666 175.979 176.600 0.075 0.000 0.892 166 E CA -1.046 55.415 56.400 0.101 0.000 0.775 166 E CB 2.013 31.790 29.700 0.128 0.000 1.207 166 E HN 0.322 nan 8.360 nan 0.000 0.420 167 K N 1.690 122.120 120.400 0.049 0.000 2.259 167 K HA 0.576 4.896 4.320 -0.000 0.000 0.249 167 K C -0.952 175.568 176.600 -0.134 0.000 0.942 167 K CA -0.707 55.571 56.287 -0.015 0.000 0.816 167 K CB 1.857 34.384 32.500 0.044 0.000 1.155 167 K HN 0.452 nan 8.250 nan 0.000 0.428 168 L N 1.415 122.517 121.223 -0.202 0.000 2.401 168 L HA 0.379 4.719 4.340 -0.000 0.000 0.266 168 L C -0.552 176.195 176.870 -0.206 0.000 0.991 168 L CA -0.250 54.314 54.840 -0.460 0.000 0.818 168 L CB 1.251 42.833 42.059 -0.794 0.000 1.321 168 L HN 0.872 nan 8.230 nan 0.000 0.413 169 W N 0.335 121.573 121.300 -0.104 0.000 0.883 169 W HA -0.198 4.462 4.660 -0.000 0.000 0.225 169 W C -1.749 174.743 176.519 -0.045 0.000 0.945 169 W CA -0.344 56.962 57.345 -0.065 0.000 0.357 169 W CB -2.032 27.401 29.460 -0.045 0.000 1.943 169 W HN 0.309 nan 8.180 nan 0.000 1.179 170 P HA 0.167 nan 4.420 nan 0.000 0.261 170 P C 0.328 177.647 177.300 0.031 0.000 1.203 170 P CA 0.986 64.143 63.100 0.096 0.000 0.767 170 P CB 1.009 32.748 31.700 0.065 0.000 0.785 171 S N 3.819 119.534 115.700 0.027 0.000 2.558 171 S HA -0.003 4.467 4.470 -0.000 0.000 0.288 171 S C 1.131 175.669 174.600 -0.103 0.000 1.318 171 S CA 0.125 58.293 58.200 -0.054 0.000 1.056 171 S CB -0.362 62.827 63.200 -0.019 0.000 0.853 171 S HN 0.523 nan 8.310 nan 0.000 0.505 172 N N 0.117 118.678 118.700 -0.231 0.000 2.929 172 N HA -0.241 4.499 4.740 -0.000 0.000 0.234 172 N C 1.365 176.828 175.510 -0.079 0.000 0.908 172 N CA 1.509 54.431 53.050 -0.213 0.000 0.993 172 N CB -2.089 36.315 38.487 -0.139 0.000 1.075 172 N HN 0.730 nan 8.380 nan 0.000 0.603 173 S N -0.762 114.912 115.700 -0.043 0.000 2.381 173 S HA -0.175 4.295 4.470 -0.000 0.000 0.230 173 S C 2.030 176.684 174.600 0.090 0.000 1.052 173 S CA 1.737 59.951 58.200 0.023 0.000 1.068 173 S CB -1.063 62.137 63.200 0.001 0.000 0.918 173 S HN 0.607 nan 8.310 nan 0.000 0.448 174 G N 0.943 109.800 108.800 0.095 0.000 2.744 174 G HA2 0.431 4.391 3.960 -0.000 0.000 0.211 174 G HA3 0.431 4.391 3.960 -0.000 0.000 0.211 174 G C 0.944 176.014 174.900 0.283 0.000 1.143 174 G CA 0.242 45.488 45.100 0.243 0.000 0.788 174 G HN 1.296 nan 8.290 nan 0.000 0.534 175 G N -1.095 107.796 108.800 0.152 0.000 2.752 175 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.234 175 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.234 175 G C 0.611 175.595 174.900 0.139 0.000 1.367 175 G CA 0.064 45.208 45.100 0.073 0.000 0.879 175 G HN 0.276 nan 8.290 nan 0.000 0.563 176 W N 0.008 121.409 121.300 0.169 0.000 2.465 176 W HA 0.224 4.884 4.660 -0.000 0.000 0.268 176 W C 1.962 178.485 176.519 0.006 0.000 1.242 176 W CA 1.202 58.563 57.345 0.027 0.000 1.248 176 W CB 0.075 29.479 29.460 -0.094 0.000 1.118 176 W HN 0.725 nan 8.180 nan 0.000 0.587 177 D N -4.566 115.985 120.400 0.252 0.000 2.594 177 D HA -0.029 4.611 4.640 -0.000 0.000 0.256 177 D C 0.095 176.508 176.300 0.188 0.000 1.393 177 D CA -0.689 53.388 54.000 0.130 0.000 0.797 177 D CB -0.978 39.902 40.800 0.133 0.000 1.110 177 D HN 0.002 nan 8.370 nan 0.000 0.495 178 Y N 0.354 120.753 120.300 0.166 0.000 4.409 178 Y HA -0.255 4.295 4.550 -0.000 0.000 0.228 178 Y C 0.637 176.651 175.900 0.189 0.000 1.108 178 Y CA 0.082 58.278 58.100 0.161 0.000 1.955 178 Y CB -2.451 36.080 38.460 0.119 0.000 1.615 178 Y HN 0.278 nan 8.280 nan 0.000 0.665 179 K N 0.326 120.896 120.400 0.284 0.000 2.397 179 K HA 0.461 4.781 4.320 -0.000 0.000 0.202 179 K C 1.100 177.740 176.600 0.068 0.000 1.022 179 K CA 0.564 56.946 56.287 0.158 0.000 1.141 179 K CB 0.385 32.956 32.500 0.119 0.000 0.857 179 K HN 0.471 nan 8.250 nan 0.000 0.514 180 G N 0.644 109.538 108.800 0.157 0.000 2.629 180 G HA2 -0.002 3.957 3.960 -0.000 0.000 0.686 180 G HA3 -0.002 3.957 3.960 -0.000 0.000 0.686 180 G C -0.685 174.292 174.900 0.128 0.000 1.232 180 G CA -0.735 44.434 45.100 0.113 0.000 0.803 180 G HN 0.216 nan 8.290 nan 0.000 0.638 181 A N 0.099 122.997 122.820 0.130 0.000 2.386 181 A HA 0.591 4.911 4.320 -0.000 0.000 0.248 181 A C 1.256 178.934 177.584 0.156 0.000 1.082 181 A CA 0.996 53.106 52.037 0.123 0.000 0.789 181 A CB 0.168 19.235 19.000 0.112 0.000 1.025 181 A HN 0.861 nan 8.150 nan 0.000 0.490 182 D N -0.782 119.736 120.400 0.196 0.000 2.218 182 D HA 0.079 4.719 4.640 -0.000 0.000 0.204 182 D C 0.047 176.529 176.300 0.302 0.000 0.976 182 D CA 1.419 55.543 54.000 0.207 0.000 0.853 182 D CB -0.075 40.792 40.800 0.113 0.000 0.939 182 D HN 0.246 nan 8.370 nan 0.000 0.481 183 L N -0.619 120.819 121.223 0.357 0.000 2.562 183 L HA 0.626 4.966 4.340 -0.000 0.000 0.266 183 L C -1.936 175.014 176.870 0.133 0.000 0.949 183 L CA -0.953 54.054 54.840 0.278 0.000 0.879 183 L CB 1.654 43.934 42.059 0.368 0.000 1.278 183 L HN -0.128 nan 8.230 nan 0.000 0.404 184 A N 4.093 126.957 122.820 0.073 0.000 2.359 184 A HA 0.701 5.021 4.320 -0.000 0.000 0.303 184 A C -0.865 176.701 177.584 -0.031 0.000 1.066 184 A CA -0.454 51.602 52.037 0.033 0.000 0.730 184 A CB 1.067 20.121 19.000 0.090 0.000 1.211 184 A HN 0.745 nan 8.150 nan 0.000 0.439 185 C N 3.051 122.309 119.300 -0.071 0.000 2.256 185 C HA 0.472 4.932 4.460 -0.000 0.000 0.333 185 C C 0.474 175.417 174.990 -0.078 0.000 1.183 185 C CA -0.622 58.329 59.018 -0.111 0.000 1.692 185 C CB -0.713 26.943 27.740 -0.140 0.000 2.274 185 C HN 0.558 nan 8.230 nan 0.000 0.509 186 V N 5.364 125.217 119.914 -0.101 0.000 2.368 186 V HA 0.206 4.325 4.120 -0.000 0.000 0.266 186 V C 0.282 176.300 176.094 -0.127 0.000 1.045 186 V CA -0.168 62.061 62.300 -0.119 0.000 0.899 186 V CB 0.903 32.586 31.823 -0.234 0.000 1.006 186 V HN 0.674 nan 8.190 nan 0.000 0.470 187 V N 4.871 124.746 119.914 -0.066 0.000 2.461 187 V HA 0.336 4.456 4.120 -0.000 0.000 0.275 187 V C 0.191 176.253 176.094 -0.054 0.000 1.047 187 V CA -0.165 62.123 62.300 -0.021 0.000 0.955 187 V CB 0.854 32.742 31.823 0.107 0.000 0.988 187 V HN 1.018 nan 8.190 nan 0.000 0.471 188 C N 4.622 123.901 119.300 -0.036 0.000 2.802 188 C HA 0.638 5.098 4.460 -0.000 0.000 0.307 188 C C 0.166 175.181 174.990 0.040 0.000 1.222 188 C CA -1.187 57.811 59.018 -0.035 0.000 1.580 188 C CB 1.708 29.390 27.740 -0.096 0.000 2.119 188 C HN 0.958 nan 8.230 nan 0.000 0.479 189 R N 1.201 121.735 120.500 0.056 0.000 2.254 189 R HA 0.563 4.903 4.340 -0.000 0.000 0.318 189 R C -0.964 175.372 176.300 0.060 0.000 1.031 189 R CA -0.196 55.948 56.100 0.073 0.000 0.905 189 R CB 0.623 30.970 30.300 0.079 0.000 1.050 189 R HN 0.658 nan 8.270 nan 0.000 0.456 190 V N 3.881 123.836 119.914 0.069 0.000 2.479 190 V HA 0.136 4.256 4.120 -0.000 0.000 0.281 190 V C 0.115 176.265 176.094 0.094 0.000 1.031 190 V CA 0.436 62.803 62.300 0.112 0.000 1.038 190 V CB 1.051 32.964 31.823 0.149 0.000 0.981 190 V HN 0.781 nan 8.190 nan 0.000 0.478 191 S N 2.766 118.524 115.700 0.097 0.000 2.614 191 S HA 0.308 4.778 4.470 -0.000 0.000 0.275 191 S C 0.469 175.107 174.600 0.063 0.000 1.161 191 S CA -0.712 57.529 58.200 0.068 0.000 0.969 191 S CB 1.594 64.825 63.200 0.052 0.000 1.059 191 S HN 0.812 nan 8.310 nan 0.000 0.482 192 D N 2.195 122.622 120.400 0.045 0.000 2.092 192 D HA -0.068 4.572 4.640 -0.000 0.000 0.193 192 D C 0.347 176.661 176.300 0.023 0.000 0.994 192 D CA 1.516 55.532 54.000 0.027 0.000 0.828 192 D CB 0.103 40.912 40.800 0.015 0.000 0.963 192 D HN 0.662 nan 8.370 nan 0.000 0.450 193 D N -0.467 119.948 120.400 0.024 0.000 2.464 193 D HA 0.146 4.785 4.640 -0.000 0.000 0.243 193 D C -1.931 174.385 176.300 0.027 0.000 1.104 193 D CA -1.966 52.047 54.000 0.022 0.000 0.883 193 D CB 1.693 42.503 40.800 0.016 0.000 1.050 193 D HN -0.152 nan 8.370 nan 0.000 0.524 194 P HA -0.152 nan 4.420 nan 0.000 0.223 194 P C 0.983 178.301 177.300 0.030 0.000 1.144 194 P CA 0.737 63.858 63.100 0.035 0.000 0.783 194 P CB 0.071 31.795 31.700 0.041 0.000 0.771 195 S N -2.270 113.446 115.700 0.026 0.000 2.562 195 S HA 0.057 4.527 4.470 -0.000 0.000 0.221 195 S C 0.919 175.530 174.600 0.019 0.000 0.975 195 S CA 0.016 58.229 58.200 0.022 0.000 0.918 195 S CB -0.440 62.772 63.200 0.020 0.000 0.772 195 S HN 0.058 nan 8.310 nan 0.000 0.531 196 K N 3.014 123.426 120.400 0.019 0.000 2.156 196 K HA 0.417 4.737 4.320 -0.000 0.000 0.271 196 K C -2.649 173.962 176.600 0.018 0.000 0.995 196 K CA -2.132 54.165 56.287 0.017 0.000 0.890 196 K CB 1.026 33.535 32.500 0.015 0.000 1.073 196 K HN 0.224 nan 8.250 nan 0.000 0.454 197 P HA 0.010 nan 4.420 nan 0.000 0.274 197 P C -0.728 176.581 177.300 0.015 0.000 1.231 197 P CA -0.408 62.702 63.100 0.016 0.000 0.790 197 P CB 0.608 32.316 31.700 0.013 0.000 0.951 198 Q N 1.067 120.876 119.800 0.016 0.000 2.310 198 Q HA -0.079 4.261 4.340 -0.000 0.000 0.315 198 Q C 0.263 176.267 176.000 0.008 0.000 1.081 198 Q CA 0.280 56.092 55.803 0.014 0.000 0.981 198 Q CB 0.107 28.853 28.738 0.012 0.000 1.184 198 Q HN 0.377 nan 8.270 nan 0.000 0.389 199 D N 5.588 125.992 120.400 0.007 0.000 2.451 199 D HA -0.028 4.611 4.640 -0.000 0.000 0.254 199 D C -1.617 174.682 176.300 -0.003 0.000 1.204 199 D CA -1.175 52.827 54.000 0.003 0.000 0.896 199 D CB 1.023 41.825 40.800 0.003 0.000 1.136 199 D HN 0.453 nan 8.370 nan 0.000 0.499 200 P HA -0.060 nan 4.420 nan 0.000 0.239 200 P C 0.610 177.904 177.300 -0.011 0.000 1.184 200 P CA 0.505 63.601 63.100 -0.008 0.000 0.760 200 P CB 0.388 32.085 31.700 -0.005 0.000 0.884 201 N N -0.399 118.295 118.700 -0.009 0.000 2.181 201 N HA 0.055 4.795 4.740 -0.000 0.000 0.207 201 N C -0.340 175.163 175.510 -0.013 0.000 1.182 201 N CA 0.028 53.072 53.050 -0.010 0.000 0.893 201 N CB 1.417 39.900 38.487 -0.007 0.000 1.032 201 N HN -0.037 nan 8.380 nan 0.000 0.513 202 V N 1.502 121.408 119.914 -0.013 0.000 2.435 202 V HA 0.264 4.383 4.120 -0.000 0.000 0.290 202 V C -0.701 175.377 176.094 -0.027 0.000 1.030 202 V CA -0.654 61.636 62.300 -0.016 0.000 0.881 202 V CB 1.465 33.283 31.823 -0.008 0.000 0.983 202 V HN 0.048 nan 8.190 nan 0.000 0.445 203 D N 7.751 128.130 120.400 -0.034 0.000 2.426 203 D HA 0.195 4.835 4.640 -0.000 0.000 0.261 203 D C -1.629 174.630 176.300 -0.068 0.000 1.245 203 D CA -1.390 52.577 54.000 -0.054 0.000 0.917 203 D CB 1.677 42.445 40.800 -0.053 0.000 1.123 203 D HN 0.429 nan 8.370 nan 0.000 0.508 204 P HA -0.120 nan 4.420 nan 0.000 0.222 204 P C 0.785 177.997 177.300 -0.148 0.000 1.142 204 P CA 1.176 64.212 63.100 -0.107 0.000 0.788 204 P CB 0.162 31.778 31.700 -0.140 0.000 0.767 205 A N -0.421 122.298 122.820 -0.168 0.000 2.014 205 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 205 A C 2.085 179.613 177.584 -0.092 0.000 1.163 205 A CA 1.979 53.910 52.037 -0.178 0.000 0.652 205 A CB -1.752 17.147 19.000 -0.168 0.000 0.808 205 A HN 0.330 nan 8.150 nan 0.000 0.449 206 T N -3.486 111.032 114.554 -0.061 0.000 3.160 206 T HA 0.025 4.375 4.350 -0.000 0.000 0.257 206 T C 0.964 175.659 174.700 -0.008 0.000 1.147 206 T CA 0.875 62.958 62.100 -0.028 0.000 1.064 206 T CB -0.023 68.834 68.868 -0.018 0.000 0.949 206 T HN 0.283 nan 8.240 nan 0.000 0.526 207 Q N 0.487 120.280 119.800 -0.011 0.000 2.175 207 Q HA 0.393 4.732 4.340 -0.000 0.000 0.225 207 Q C -0.476 175.542 176.000 0.030 0.000 0.837 207 Q CA -0.238 55.575 55.803 0.017 0.000 1.032 207 Q CB 0.481 29.230 28.738 0.018 0.000 1.137 207 Q HN 0.486 nan 8.270 nan 0.000 0.483 208 I N 0.932 121.517 120.570 0.026 0.000 2.359 208 I HA 0.579 4.749 4.170 -0.000 0.000 0.294 208 I C 0.059 176.177 176.117 0.002 0.000 0.987 208 I CA -1.045 60.294 61.300 0.064 0.000 1.225 208 I CB 1.107 39.186 38.000 0.132 0.000 1.366 208 I HN -0.109 nan 8.210 nan 0.000 0.466 209 A N 6.309 129.106 122.820 -0.039 0.000 2.401 209 A HA 0.830 5.149 4.320 -0.000 0.000 0.310 209 A C -1.076 176.413 177.584 -0.159 0.000 1.075 209 A CA -0.516 51.420 52.037 -0.168 0.000 0.746 209 A CB 1.798 20.605 19.000 -0.321 0.000 1.277 209 A HN 0.376 nan 8.150 nan 0.000 0.425 210 V N 2.871 122.661 119.914 -0.207 0.000 2.380 210 V HA 0.369 4.489 4.120 -0.000 0.000 0.286 210 V C -0.688 175.253 176.094 -0.256 0.000 1.015 210 V CA -0.088 62.101 62.300 -0.185 0.000 0.834 210 V CB 0.893 32.636 31.823 -0.134 0.000 1.009 210 V HN 0.729 nan 8.190 nan 0.000 0.428 211 L N 5.390 126.460 121.223 -0.254 0.000 2.307 211 L HA 0.543 4.883 4.340 -0.000 0.000 0.284 211 L C -0.533 176.224 176.870 -0.189 0.000 1.023 211 L CA -0.656 54.034 54.840 -0.250 0.000 0.810 211 L CB 1.610 43.528 42.059 -0.235 0.000 1.231 211 L HN 0.363 nan 8.230 nan 0.000 0.423 212 L N 4.118 125.212 121.223 -0.215 0.000 2.371 212 L HA 0.422 4.762 4.340 -0.000 0.000 0.272 212 L C -0.158 176.676 176.870 -0.061 0.000 1.124 212 L CA 0.079 54.778 54.840 -0.235 0.000 0.816 212 L CB 1.506 43.232 42.059 -0.555 0.000 1.129 212 L HN 0.231 nan 8.230 nan 0.000 0.448 213 V N 1.840 121.763 119.914 0.016 0.000 2.462 213 V HA 0.390 4.510 4.120 -0.000 0.000 0.288 213 V C 0.196 176.388 176.094 0.164 0.000 1.020 213 V CA -0.752 61.638 62.300 0.150 0.000 0.857 213 V CB 1.618 33.554 31.823 0.188 0.000 1.013 213 V HN 0.934 nan 8.190 nan 0.000 0.431 214 T N 1.871 116.552 114.554 0.212 0.000 2.814 214 T HA 0.376 4.726 4.350 -0.000 0.000 0.284 214 T C 1.171 175.955 174.700 0.140 0.000 0.998 214 T CA -0.370 61.854 62.100 0.207 0.000 0.935 214 T CB 1.174 70.188 68.868 0.243 0.000 1.167 214 T HN 0.442 nan 8.240 nan 0.000 0.545 215 R N -0.136 120.431 120.500 0.111 0.000 2.115 215 R HA -0.019 4.321 4.340 -0.000 0.000 0.230 215 R C 2.566 178.903 176.300 0.063 0.000 1.111 215 R CA 1.317 57.455 56.100 0.063 0.000 0.976 215 R CB -0.239 30.101 30.300 0.067 0.000 0.870 215 R HN 0.821 nan 8.270 nan 0.000 0.445 216 E N -0.262 119.988 120.200 0.084 0.000 2.051 216 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 216 E C 1.364 178.009 176.600 0.076 0.000 0.991 216 E CA 1.731 58.173 56.400 0.071 0.000 0.799 216 E CB 0.169 29.912 29.700 0.071 0.000 0.748 216 E HN 0.274 nan 8.360 nan 0.000 0.449 217 T N 1.217 115.843 114.554 0.121 0.000 2.699 217 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 217 T C 1.889 176.653 174.700 0.106 0.000 1.036 217 T CA 1.487 63.665 62.100 0.129 0.000 1.147 217 T CB -0.257 68.769 68.868 0.263 0.000 0.862 217 T HN 0.182 nan 8.240 nan 0.000 0.446 218 I N 1.380 122.068 120.570 0.196 0.000 2.252 218 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 218 I C 2.942 179.098 176.117 0.066 0.000 1.102 218 I CA 1.033 62.433 61.300 0.168 0.000 1.385 218 I CB -0.484 37.419 38.000 -0.160 0.000 1.064 218 I HN 0.197 nan 8.210 nan 0.000 0.414 219 A N 0.866 123.709 122.820 0.037 0.000 1.933 219 A HA -0.166 4.153 4.320 -0.000 0.000 0.218 219 A C 1.824 179.414 177.584 0.011 0.000 1.175 219 A CA 1.637 53.692 52.037 0.029 0.000 0.628 219 A CB -0.566 18.451 19.000 0.029 0.000 0.814 219 A HN 0.416 nan 8.150 nan 0.000 0.444 220 N N 0.676 119.371 118.700 -0.009 0.000 2.449 220 N HA 0.020 4.760 4.740 -0.000 0.000 0.191 220 N C -0.221 175.238 175.510 -0.084 0.000 1.161 220 N CA 0.227 53.254 53.050 -0.039 0.000 0.863 220 N CB -0.165 38.302 38.487 -0.034 0.000 0.980 220 N HN 0.441 nan 8.380 nan 0.000 0.458 221 N N 0.581 119.233 118.700 -0.079 0.000 2.402 221 N HA 0.218 4.958 4.740 -0.000 0.000 0.294 221 N C -0.287 175.231 175.510 0.014 0.000 1.203 221 N CA -0.461 52.535 53.050 -0.089 0.000 0.838 221 N CB 1.805 40.161 38.487 -0.219 0.000 1.306 221 N HN -0.152 nan 8.380 nan 0.000 0.510 222 K N 1.037 121.458 120.400 0.035 0.000 2.436 222 K HA -0.029 4.290 4.320 -0.000 0.000 0.275 222 K C 1.251 177.923 176.600 0.119 0.000 0.999 222 K CA 0.190 56.517 56.287 0.066 0.000 0.980 222 K CB 0.932 33.471 32.500 0.064 0.000 0.919 222 K HN 0.423 nan 8.250 nan 0.000 0.484 223 K N 2.063 122.523 120.400 0.100 0.000 2.103 223 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 223 K C 1.024 177.706 176.600 0.137 0.000 1.048 223 K CA 2.071 58.430 56.287 0.120 0.000 0.930 223 K CB 0.085 32.637 32.500 0.086 0.000 0.716 223 K HN 0.731 nan 8.250 nan 0.000 0.444 224 D N -0.277 120.189 120.400 0.109 0.000 2.317 224 D HA -0.084 4.556 4.640 -0.000 0.000 0.211 224 D C 1.461 177.834 176.300 0.122 0.000 0.966 224 D CA 0.833 54.885 54.000 0.087 0.000 0.876 224 D CB -0.042 40.793 40.800 0.059 0.000 0.927 224 D HN 0.199 nan 8.370 nan 0.000 0.519 225 A N -0.535 122.412 122.820 0.211 0.000 2.066 225 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 225 A C 0.526 178.346 177.584 0.394 0.000 1.157 225 A CA 0.459 52.692 52.037 0.327 0.000 0.670 225 A CB -0.626 18.620 19.000 0.411 0.000 0.804 225 A HN 0.365 nan 8.150 nan 0.000 0.453 226 Y N 0.786 121.177 120.300 0.152 0.000 2.749 226 Y HA 0.463 5.013 4.550 -0.000 0.000 0.343 226 Y C -0.336 175.477 175.900 -0.144 0.000 1.015 226 Y CA -0.640 57.407 58.100 -0.089 0.000 1.270 226 Y CB 0.307 38.788 38.460 0.036 0.000 1.097 226 Y HN 0.257 nan 8.280 nan 0.000 0.571 227 Q N 5.263 124.846 119.800 -0.361 0.000 2.282 227 Q HA 0.521 4.861 4.340 -0.000 0.000 0.260 227 Q C -0.844 174.847 176.000 -0.516 0.000 0.964 227 Q CA -0.809 54.804 55.803 -0.317 0.000 0.880 227 Q CB 2.412 31.018 28.738 -0.220 0.000 1.286 227 Q HN 0.626 nan 8.270 nan 0.000 0.445 228 I N 4.487 124.793 120.570 -0.440 0.000 2.306 228 I HA 0.048 4.218 4.170 -0.000 0.000 0.288 228 I C 0.663 176.544 176.117 -0.392 0.000 1.036 228 I CA -0.022 60.959 61.300 -0.532 0.000 1.221 228 I CB 0.839 38.384 38.000 -0.758 0.000 1.385 228 I HN 0.625 nan 8.210 nan 0.000 0.472 229 L N 5.865 126.841 121.223 -0.411 0.000 2.341 229 L HA 0.248 4.588 4.340 -0.000 0.000 0.214 229 L C 1.077 177.815 176.870 -0.221 0.000 1.115 229 L CA 0.290 54.913 54.840 -0.362 0.000 0.820 229 L CB -0.173 41.505 42.059 -0.634 0.000 0.944 229 L HN 0.747 nan 8.230 nan 0.000 0.452 230 G N -0.671 108.022 108.800 -0.178 0.000 2.451 230 G HA2 0.424 4.384 3.960 -0.000 0.000 0.292 230 G HA3 0.424 4.384 3.960 -0.000 0.000 0.292 230 G C -1.866 172.983 174.900 -0.084 0.000 1.427 230 G CA -0.430 44.620 45.100 -0.084 0.000 0.792 230 G HN -0.151 nan 8.290 nan 0.000 0.498 231 E N 0.559 120.742 120.200 -0.029 0.000 2.373 231 E HA 0.585 4.934 4.350 -0.000 0.000 0.251 231 E C -2.548 174.029 176.600 -0.039 0.000 0.923 231 E CA -1.434 54.959 56.400 -0.012 0.000 0.798 231 E CB 1.748 31.522 29.700 0.122 0.000 1.303 231 E HN 0.297 nan 8.360 nan 0.000 0.412 232 P HA 0.063 nan 4.420 nan 0.000 0.265 232 P C -0.778 176.516 177.300 -0.010 0.000 1.193 232 P CA -0.050 62.987 63.100 -0.106 0.000 0.765 232 P CB 0.578 32.133 31.700 -0.241 0.000 0.823 233 E N 2.900 123.107 120.200 0.012 0.000 2.129 233 E HA 0.193 4.543 4.350 -0.000 0.000 0.283 233 E C -0.051 176.583 176.600 0.058 0.000 1.080 233 E CA -0.083 56.339 56.400 0.036 0.000 0.867 233 E CB 0.290 30.008 29.700 0.029 0.000 1.056 233 E HN 0.384 nan 8.360 nan 0.000 0.404 234 L N 1.209 122.473 121.223 0.069 0.000 2.379 234 L HA 0.347 4.687 4.340 -0.000 0.000 0.269 234 L C 1.603 178.498 176.870 0.043 0.000 1.084 234 L CA -0.624 54.266 54.840 0.084 0.000 0.802 234 L CB 1.068 43.191 42.059 0.106 0.000 1.175 234 L HN 0.485 nan 8.230 nan 0.000 0.448 235 A N 2.001 124.839 122.820 0.029 0.000 1.940 235 A HA 0.126 4.446 4.320 -0.000 0.000 0.219 235 A C 0.982 178.546 177.584 -0.034 0.000 1.176 235 A CA 1.686 53.720 52.037 -0.005 0.000 0.631 235 A CB -0.478 18.512 19.000 -0.018 0.000 0.814 235 A HN 0.864 nan 8.150 nan 0.000 0.446 236 G N -4.424 104.354 108.800 -0.037 0.000 2.766 236 G HA2 0.475 4.435 3.960 -0.000 0.000 0.288 236 G HA3 0.475 4.435 3.960 -0.000 0.000 0.288 236 G C -0.695 174.183 174.900 -0.037 0.000 1.408 236 G CA -0.214 44.818 45.100 -0.113 0.000 0.852 236 G HN 0.423 nan 8.290 nan 0.000 0.487 237 H N -0.540 118.474 119.070 -0.094 0.000 2.496 237 H HA -0.167 4.389 4.556 -0.000 0.000 0.323 237 H C 1.442 176.723 175.328 -0.077 0.000 1.054 237 H CA 1.125 57.125 56.048 -0.080 0.000 1.095 237 H CB -1.166 28.564 29.762 -0.054 0.000 1.595 237 H HN 0.666 nan 8.280 nan 0.000 0.388 238 I N -1.880 118.661 120.570 -0.049 0.000 3.564 238 I HA -0.043 4.127 4.170 -0.000 0.000 0.294 238 I C 1.989 178.080 176.117 -0.043 0.000 1.289 238 I CA 1.152 62.432 61.300 -0.033 0.000 1.325 238 I CB 0.088 38.071 38.000 -0.028 0.000 1.039 238 I HN 0.290 nan 8.210 nan 0.000 0.474 239 T N -3.208 111.291 114.554 -0.092 0.000 3.022 239 T HA 0.090 4.440 4.350 -0.000 0.000 0.250 239 T C 1.017 175.786 174.700 0.116 0.000 1.060 239 T CA 0.120 62.201 62.100 -0.032 0.000 1.013 239 T CB -0.331 68.392 68.868 -0.243 0.000 0.982 239 T HN 0.281 nan 8.240 nan 0.000 0.508 240 T N 2.184 116.753 114.554 0.025 0.000 2.856 240 T HA 0.411 4.761 4.350 -0.000 0.000 0.306 240 T C -0.266 174.252 174.700 -0.302 0.000 1.062 240 T CA -0.116 61.908 62.100 -0.126 0.000 1.083 240 T CB 0.682 69.521 68.868 -0.049 0.000 0.984 240 T HN 0.414 nan 8.240 nan 0.000 0.542 241 S N 0.914 116.199 115.700 -0.692 0.000 2.502 241 S HA 0.704 5.174 4.470 -0.000 0.000 0.304 241 S C -0.222 174.189 174.600 -0.316 0.000 1.097 241 S CA -0.262 57.620 58.200 -0.530 0.000 1.045 241 S CB 1.148 63.826 63.200 -0.869 0.000 1.019 241 S HN 1.017 nan 8.310 nan 0.000 0.481 242 G N 4.833 113.550 108.800 -0.138 0.000 3.829 242 G HA2 0.458 4.418 3.960 -0.000 0.000 0.289 242 G HA3 0.458 4.418 3.960 -0.000 0.000 0.289 242 G C -3.326 171.504 174.900 -0.118 0.000 1.274 242 G CA -0.948 44.111 45.100 -0.069 0.000 0.698 242 G HN 0.550 nan 8.290 nan 0.000 0.488 243 P HA 0.101 nan 4.420 nan 0.000 0.272 243 P C -0.051 177.110 177.300 -0.232 0.000 1.240 243 P CA -0.129 62.851 63.100 -0.199 0.000 0.791 243 P CB 0.649 32.180 31.700 -0.282 0.000 0.978 244 H N -0.213 118.645 119.070 -0.353 0.000 2.629 244 H HA 0.385 4.941 4.556 -0.000 0.000 0.357 244 H C -0.556 174.531 175.328 -0.401 0.000 1.121 244 H CA 0.012 55.848 56.048 -0.354 0.000 1.406 244 H CB 0.448 30.022 29.762 -0.314 0.000 1.456 244 H HN 0.260 nan 8.280 nan 0.000 0.579 245 T N 4.873 119.362 114.554 -0.108 0.000 3.105 245 T HA 0.204 4.554 4.350 -0.000 0.000 0.321 245 T C -1.012 173.404 174.700 -0.473 0.000 1.135 245 T CA -0.799 61.013 62.100 -0.481 0.000 1.053 245 T CB 1.334 69.824 68.868 -0.630 0.000 1.133 245 T HN 0.588 nan 8.240 nan 0.000 0.463 246 R N 2.721 122.855 120.500 -0.610 0.000 2.337 246 R HA 0.530 4.870 4.340 -0.000 0.000 0.319 246 R C -1.364 174.651 176.300 -0.475 0.000 0.954 246 R CA -0.645 55.208 56.100 -0.413 0.000 0.840 246 R CB 0.445 30.575 30.300 -0.284 0.000 1.164 246 R HN 0.471 nan 8.270 nan 0.000 0.472 247 F N 2.509 122.382 119.950 -0.130 0.000 2.420 247 F HA 0.275 4.802 4.527 -0.000 0.000 0.352 247 F C 0.353 176.178 175.800 0.042 0.000 1.108 247 F CA -0.079 57.900 58.000 -0.035 0.000 1.162 247 F CB 1.949 40.926 39.000 -0.039 0.000 1.118 247 F HN 0.300 nan 8.300 nan 0.000 0.510 248 T N 3.128 117.840 114.554 0.262 0.000 2.864 248 T HA 0.240 4.590 4.350 -0.000 0.000 0.299 248 T C -0.612 174.236 174.700 0.247 0.000 1.011 248 T CA -0.904 61.314 62.100 0.197 0.000 0.975 248 T CB 1.064 70.001 68.868 0.114 0.000 0.962 248 T HN 0.488 nan 8.240 nan 0.000 0.448 249 E N 0.995 121.320 120.200 0.208 0.000 2.228 249 E HA -0.211 4.139 4.350 -0.000 0.000 0.213 249 E C -0.613 176.143 176.600 0.259 0.000 1.282 249 E CA 0.393 56.898 56.400 0.174 0.000 0.707 249 E CB -1.328 28.474 29.700 0.170 0.000 1.150 249 E HN 0.751 nan 8.360 nan 0.000 0.362 250 F N 1.832 121.878 119.950 0.160 0.000 2.445 250 F HA 0.129 4.656 4.527 -0.000 0.000 0.359 250 F C 1.118 176.985 175.800 0.113 0.000 1.101 250 F CA -0.348 57.796 58.000 0.239 0.000 1.177 250 F CB 0.514 39.758 39.000 0.405 0.000 1.110 250 F HN 0.024 nan 8.300 nan 0.000 0.522 251 H N 5.628 124.525 119.070 -0.289 0.000 2.620 251 H HA 0.433 4.989 4.556 -0.000 0.000 0.313 251 H C -0.716 174.518 175.328 -0.157 0.000 1.075 251 H CA -0.490 55.471 56.048 -0.143 0.000 1.397 251 H CB 1.558 31.247 29.762 -0.122 0.000 1.446 251 H HN 0.319 nan 8.280 nan 0.000 0.493 252 V N 6.299 126.303 119.914 0.151 0.000 2.577 252 V HA 0.182 4.301 4.120 -0.000 0.000 0.303 252 V C -2.132 174.111 176.094 0.247 0.000 1.042 252 V CA -1.913 60.507 62.300 0.199 0.000 0.872 252 V CB 2.159 34.126 31.823 0.240 0.000 0.998 252 V HN 0.680 nan 8.190 nan 0.000 0.423 253 P HA 0.014 nan 4.420 nan 0.000 0.265 253 P C 0.456 177.936 177.300 0.301 0.000 1.193 253 P CA 0.318 63.556 63.100 0.229 0.000 0.765 253 P CB 0.688 32.493 31.700 0.175 0.000 0.823 254 H N 3.661 122.898 119.070 0.278 0.000 2.422 254 H HA -0.191 4.365 4.556 -0.000 0.000 0.298 254 H C 1.765 177.219 175.328 0.211 0.000 1.098 254 H CA 2.294 58.548 56.048 0.344 0.000 1.315 254 H CB -0.023 29.909 29.762 0.284 0.000 1.382 254 H HN 0.555 nan 8.280 nan 0.000 0.523 255 E N -0.520 119.789 120.200 0.181 0.000 2.455 255 E HA -0.192 4.158 4.350 -0.000 0.000 0.202 255 E C 1.194 177.853 176.600 0.098 0.000 1.045 255 E CA 1.238 57.707 56.400 0.114 0.000 0.872 255 E CB -0.251 29.539 29.700 0.150 0.000 0.792 255 E HN 0.648 nan 8.360 nan 0.000 0.542 256 N N 0.098 118.841 118.700 0.072 0.000 2.299 256 N HA 0.061 4.801 4.740 -0.000 0.000 0.187 256 N C -0.217 175.206 175.510 -0.146 0.000 1.099 256 N CA -0.379 52.686 53.050 0.024 0.000 0.867 256 N CB 0.353 38.892 38.487 0.088 0.000 0.974 256 N HN 0.125 nan 8.380 nan 0.000 0.477 257 L N 1.984 123.078 121.223 -0.215 0.000 2.410 257 L HA 0.034 4.374 4.340 -0.000 0.000 0.273 257 L C 1.091 177.811 176.870 -0.250 0.000 1.144 257 L CA 0.240 54.883 54.840 -0.329 0.000 0.863 257 L CB 0.869 42.654 42.059 -0.458 0.000 1.140 257 L HN -0.002 nan 8.230 nan 0.000 0.463 258 L N 5.906 126.985 121.223 -0.241 0.000 2.156 258 L HA 0.078 4.418 4.340 -0.000 0.000 0.208 258 L C 0.659 177.447 176.870 -0.137 0.000 1.095 258 L CA 1.424 56.152 54.840 -0.187 0.000 0.770 258 L CB -0.056 41.889 42.059 -0.189 0.000 0.914 258 L HN 0.932 nan 8.230 nan 0.000 0.439 259 C N -5.398 113.818 119.300 -0.141 0.000 3.249 259 C HA 0.455 4.915 4.460 -0.000 0.000 0.350 259 C C 0.171 175.112 174.990 -0.081 0.000 1.431 259 C CA -0.817 58.145 59.018 -0.093 0.000 1.209 259 C CB 0.460 28.154 27.740 -0.076 0.000 1.546 259 C HN 0.109 nan 8.230 nan 0.000 0.450 260 T N 3.635 118.170 114.554 -0.032 0.000 2.867 260 T HA 0.366 4.715 4.350 -0.000 0.000 0.297 260 T C -2.242 172.447 174.700 -0.018 0.000 0.989 260 T CA 0.558 62.661 62.100 0.005 0.000 1.159 260 T CB -0.149 68.734 68.868 0.025 0.000 0.928 260 T HN 0.707 nan 8.240 nan 0.000 0.538 261 P HA 0.382 nan 4.420 nan 0.000 0.270 261 P C 0.784 178.085 177.300 0.002 0.000 1.227 261 P CA 0.572 63.658 63.100 -0.023 0.000 0.788 261 P CB 0.231 31.938 31.700 0.011 0.000 0.926 262 G N -0.637 108.161 108.800 -0.003 0.000 2.428 262 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.202 262 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.202 262 G C 0.513 175.402 174.900 -0.018 0.000 1.247 262 G CA -0.283 44.813 45.100 -0.006 0.000 1.020 262 G HN 0.421 nan 8.290 nan 0.000 0.529 263 L N 0.200 121.408 121.223 -0.025 0.000 2.261 263 L HA -0.052 4.288 4.340 -0.000 0.000 0.216 263 L C 2.885 179.731 176.870 -0.039 0.000 1.114 263 L CA 1.952 56.771 54.840 -0.035 0.000 0.777 263 L CB -0.415 41.622 42.059 -0.036 0.000 0.910 263 L HN 0.545 nan 8.230 nan 0.000 0.440 264 K N 0.020 120.397 120.400 -0.038 0.000 2.103 264 K HA -0.040 4.279 4.320 -0.000 0.000 0.204 264 K C 2.332 178.902 176.600 -0.050 0.000 1.052 264 K CA 1.056 57.311 56.287 -0.053 0.000 0.945 264 K CB -0.131 32.340 32.500 -0.049 0.000 0.722 264 K HN 0.285 nan 8.250 nan 0.000 0.443 265 A N 1.327 124.127 122.820 -0.034 0.000 1.873 265 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 265 A C 2.188 179.790 177.584 0.030 0.000 1.186 265 A CA 1.244 53.268 52.037 -0.021 0.000 0.616 265 A CB -0.506 18.478 19.000 -0.026 0.000 0.823 265 A HN 0.214 nan 8.150 nan 0.000 0.442 266 Q N 0.081 119.911 119.800 0.050 0.000 2.077 266 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 266 Q C 2.104 178.157 176.000 0.089 0.000 0.989 266 Q CA 2.326 58.198 55.803 0.115 0.000 0.853 266 Q CB -0.936 27.805 28.738 0.005 0.000 0.907 266 Q HN 0.549 nan 8.270 nan 0.000 0.418 267 G N 0.961 109.759 108.800 -0.004 0.000 2.450 267 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.220 267 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.220 267 G C 1.613 176.447 174.900 -0.109 0.000 1.130 267 G CA 0.784 45.839 45.100 -0.076 0.000 0.760 267 G HN 0.354 nan 8.290 nan 0.000 0.557 268 L N 0.041 121.218 121.223 -0.077 0.000 2.072 268 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 268 L C 3.005 179.843 176.870 -0.054 0.000 1.079 268 L CA 0.373 55.157 54.840 -0.095 0.000 0.752 268 L CB -0.451 41.552 42.059 -0.093 0.000 0.906 268 L HN 0.088 nan 8.230 nan 0.000 0.436 269 V N -0.034 119.894 119.914 0.022 0.000 2.255 269 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 269 V C 2.482 178.687 176.094 0.185 0.000 1.051 269 V CA 2.164 64.514 62.300 0.083 0.000 1.018 269 V CB -0.562 31.367 31.823 0.178 0.000 0.641 269 V HN 0.517 nan 8.190 nan 0.000 0.445 270 E N -0.118 120.210 120.200 0.213 0.000 2.085 270 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 270 E C 2.222 178.995 176.600 0.288 0.000 0.994 270 E CA 1.920 58.487 56.400 0.277 0.000 0.801 270 E CB -0.101 29.757 29.700 0.264 0.000 0.743 270 E HN 0.633 nan 8.360 nan 0.000 0.453 271 T N 0.345 114.953 114.554 0.090 0.000 2.857 271 T HA -0.037 4.313 4.350 -0.000 0.000 0.266 271 T C 1.759 176.506 174.700 0.078 0.000 1.048 271 T CA 1.001 63.119 62.100 0.031 0.000 1.139 271 T CB -0.131 68.526 68.868 -0.352 0.000 0.874 271 T HN 0.305 nan 8.240 nan 0.000 0.455 272 A N 0.746 123.546 122.820 -0.034 0.000 1.873 272 A HA 0.047 4.367 4.320 -0.000 0.000 0.215 272 A C 1.949 179.416 177.584 -0.195 0.000 1.186 272 A CA 1.195 53.132 52.037 -0.167 0.000 0.616 272 A CB -0.957 17.852 19.000 -0.318 0.000 0.823 272 A HN 0.498 nan 8.150 nan 0.000 0.442 273 F N -0.041 119.881 119.950 -0.046 0.000 2.259 273 F HA -0.013 4.514 4.527 -0.000 0.000 0.298 273 F C 2.704 178.489 175.800 -0.024 0.000 1.088 273 F CA 0.809 58.763 58.000 -0.077 0.000 1.358 273 F CB -0.035 38.886 39.000 -0.131 0.000 1.040 273 F HN 0.271 nan 8.300 nan 0.000 0.505 274 A N -0.235 122.725 122.820 0.233 0.000 1.968 274 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 274 A C 2.195 179.843 177.584 0.108 0.000 1.169 274 A CA 1.220 53.361 52.037 0.173 0.000 0.638 274 A CB -0.537 18.621 19.000 0.262 0.000 0.812 274 A HN 0.308 nan 8.150 nan 0.000 0.446 275 M N 0.086 119.752 119.600 0.111 0.000 2.156 275 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 275 M C 2.572 178.878 176.300 0.010 0.000 1.067 275 M CA 1.740 57.077 55.300 0.061 0.000 1.131 275 M CB -0.481 32.148 32.600 0.049 0.000 1.368 275 M HN 0.638 nan 8.290 nan 0.000 0.416 276 S N 1.004 116.689 115.700 -0.026 0.000 2.383 276 S HA -0.066 4.404 4.470 -0.000 0.000 0.227 276 S C 2.133 176.708 174.600 -0.042 0.000 1.026 276 S CA 1.002 59.168 58.200 -0.056 0.000 0.981 276 S CB -0.620 62.510 63.200 -0.117 0.000 0.818 276 S HN 0.413 nan 8.310 nan 0.000 0.472 277 A N 2.292 125.105 122.820 -0.011 0.000 1.940 277 A HA 0.008 4.327 4.320 -0.000 0.000 0.221 277 A C 2.551 180.131 177.584 -0.006 0.000 1.190 277 A CA 2.347 54.378 52.037 -0.011 0.000 0.647 277 A CB -1.595 17.413 19.000 0.013 0.000 0.821 277 A HN 1.061 nan 8.150 nan 0.000 0.457 278 A N -1.125 121.698 122.820 0.004 0.000 1.968 278 A HA 0.167 4.487 4.320 -0.000 0.000 0.217 278 A C 2.118 179.713 177.584 0.018 0.000 1.169 278 A CA 1.291 53.339 52.037 0.017 0.000 0.638 278 A CB -0.382 18.633 19.000 0.026 0.000 0.812 278 A HN 0.471 nan 8.150 nan 0.000 0.446 279 L N -1.132 120.090 121.223 -0.001 0.000 2.162 279 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 279 L C 2.365 179.201 176.870 -0.057 0.000 1.086 279 L CA 0.325 55.159 54.840 -0.009 0.000 0.778 279 L CB -0.339 41.714 42.059 -0.010 0.000 0.928 279 L HN 0.182 nan 8.230 nan 0.000 0.446 280 V N 0.755 120.626 119.914 -0.073 0.000 2.428 280 V HA -0.328 3.792 4.120 -0.000 0.000 0.255 280 V C 2.538 178.531 176.094 -0.169 0.000 1.080 280 V CA 2.166 64.404 62.300 -0.103 0.000 1.083 280 V CB -1.119 30.680 31.823 -0.039 0.000 0.665 280 V HN 0.627 nan 8.190 nan 0.000 0.461 281 G N -0.956 107.789 108.800 -0.092 0.000 2.432 281 G HA2 -0.200 3.759 3.960 -0.000 0.000 0.219 281 G HA3 -0.200 3.759 3.960 -0.000 0.000 0.219 281 G C 1.716 176.545 174.900 -0.119 0.000 1.135 281 G CA 0.932 45.980 45.100 -0.086 0.000 0.767 281 G HN 0.653 nan 8.290 nan 0.000 0.550 282 A N 0.388 123.151 122.820 -0.096 0.000 1.969 282 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 282 A C 2.423 179.878 177.584 -0.215 0.000 1.169 282 A CA 1.625 53.618 52.037 -0.072 0.000 0.635 282 A CB -0.280 18.728 19.000 0.012 0.000 0.810 282 A HN 0.399 nan 8.150 nan 0.000 0.445 283 M N -0.593 118.729 119.600 -0.464 0.000 2.077 283 M HA -0.084 4.396 4.480 -0.000 0.000 0.261 283 M C 2.597 178.461 176.300 -0.727 0.000 1.070 283 M CA 1.451 56.197 55.300 -0.924 0.000 1.125 283 M CB -0.443 31.409 32.600 -1.247 0.000 1.339 283 M HN 0.432 nan 8.290 nan 0.000 0.409 284 A N 0.784 123.118 122.820 -0.810 0.000 1.892 284 A HA -0.200 4.119 4.320 -0.000 0.000 0.218 284 A C 2.088 179.579 177.584 -0.155 0.000 1.188 284 A CA 1.893 53.610 52.037 -0.533 0.000 0.631 284 A CB -1.187 17.621 19.000 -0.320 0.000 0.822 284 A HN 0.489 nan 8.150 nan 0.000 0.447 285 I N -0.277 120.218 120.570 -0.126 0.000 2.264 285 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 285 I C 2.632 178.762 176.117 0.022 0.000 1.111 285 I CA 1.038 62.313 61.300 -0.042 0.000 1.382 285 I CB -0.611 37.364 38.000 -0.043 0.000 1.060 285 I HN 0.413 nan 8.210 nan 0.000 0.418 286 G N 0.273 109.098 108.800 0.043 0.000 2.484 286 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.215 286 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.215 286 G C 1.626 176.628 174.900 0.170 0.000 1.219 286 G CA 1.415 46.603 45.100 0.147 0.000 0.791 286 G HN 0.266 nan 8.290 nan 0.000 0.550 287 T N 1.716 116.400 114.554 0.218 0.000 2.653 287 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 287 T C 2.694 177.492 174.700 0.163 0.000 1.035 287 T CA 2.012 64.250 62.100 0.230 0.000 1.154 287 T CB -0.416 68.681 68.868 0.382 0.000 0.862 287 T HN 0.403 nan 8.240 nan 0.000 0.441 288 A N 0.753 123.661 122.820 0.146 0.000 2.016 288 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 288 A C 2.269 179.949 177.584 0.159 0.000 1.162 288 A CA 1.191 53.309 52.037 0.135 0.000 0.662 288 A CB -0.452 18.598 19.000 0.083 0.000 0.812 288 A HN 0.388 nan 8.150 nan 0.000 0.450 289 R N -0.259 120.324 120.500 0.140 0.000 2.081 289 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 289 R C 2.321 178.740 176.300 0.198 0.000 1.131 289 R CA 1.351 57.564 56.100 0.187 0.000 0.960 289 R CB -0.345 30.039 30.300 0.140 0.000 0.856 289 R HN 0.453 nan 8.270 nan 0.000 0.436 290 A N 0.600 123.494 122.820 0.123 0.000 1.908 290 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 290 A C 2.313 179.901 177.584 0.006 0.000 1.181 290 A CA 1.798 53.862 52.037 0.045 0.000 0.627 290 A CB -0.768 18.240 19.000 0.013 0.000 0.818 290 A HN 0.524 nan 8.150 nan 0.000 0.445 291 A N -1.007 121.865 122.820 0.087 0.000 1.873 291 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 291 A C 2.061 179.846 177.584 0.335 0.000 1.186 291 A CA 1.632 53.794 52.037 0.207 0.000 0.616 291 A CB -0.798 18.409 19.000 0.344 0.000 0.823 291 A HN 0.748 nan 8.150 nan 0.000 0.442 292 F N 1.029 121.065 119.950 0.144 0.000 2.046 292 F HA -0.198 4.328 4.527 -0.000 0.000 0.297 292 F C 2.157 178.023 175.800 0.110 0.000 1.123 292 F CA 2.378 60.450 58.000 0.120 0.000 1.199 292 F CB -0.598 38.445 39.000 0.072 0.000 0.972 292 F HN 0.378 nan 8.300 nan 0.000 0.474 293 E N -0.122 120.005 120.200 -0.122 0.000 2.058 293 E HA -0.298 4.051 4.350 -0.000 0.000 0.194 293 E C 2.187 178.694 176.600 -0.156 0.000 0.997 293 E CA 1.576 57.827 56.400 -0.247 0.000 0.801 293 E CB -0.344 29.326 29.700 -0.051 0.000 0.746 293 E HN 0.602 nan 8.360 nan 0.000 0.450 294 E N 0.459 120.618 120.200 -0.068 0.000 2.049 294 E HA -0.254 4.096 4.350 -0.000 0.000 0.198 294 E C 1.952 178.625 176.600 0.121 0.000 1.007 294 E CA 1.447 57.828 56.400 -0.031 0.000 0.809 294 E CB -0.119 29.445 29.700 -0.227 0.000 0.749 294 E HN 0.254 nan 8.360 nan 0.000 0.450 295 A N 0.451 123.412 122.820 0.234 0.000 1.930 295 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 295 A C 2.127 179.758 177.584 0.078 0.000 1.175 295 A CA 1.270 53.445 52.037 0.230 0.000 0.627 295 A CB -0.665 18.461 19.000 0.211 0.000 0.815 295 A HN 0.387 nan 8.150 nan 0.000 0.443 296 L N -0.023 121.104 121.223 -0.160 0.000 1.989 296 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 296 L C 2.446 179.250 176.870 -0.111 0.000 1.071 296 L CA 2.057 56.743 54.840 -0.257 0.000 0.749 296 L CB -0.632 41.062 42.059 -0.607 0.000 0.890 296 L HN 0.164 nan 8.230 nan 0.000 0.431 297 V N -0.620 119.246 119.914 -0.080 0.000 2.287 297 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 297 V C 2.326 178.421 176.094 0.002 0.000 1.053 297 V CA 2.133 64.406 62.300 -0.046 0.000 1.027 297 V CB -0.880 30.927 31.823 -0.027 0.000 0.646 297 V HN 0.534 nan 8.190 nan 0.000 0.447 298 F N 1.638 121.555 119.950 -0.055 0.000 2.095 298 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 298 F C 2.254 178.024 175.800 -0.050 0.000 1.104 298 F CA 1.713 59.697 58.000 -0.026 0.000 1.232 298 F CB -0.546 38.473 39.000 0.032 0.000 0.987 298 F HN 0.083 nan 8.300 nan 0.000 0.475 299 A N -0.636 122.203 122.820 0.030 0.000 2.172 299 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 299 A C 2.011 179.486 177.584 -0.182 0.000 1.154 299 A CA 1.452 53.452 52.037 -0.062 0.000 0.701 299 A CB -0.573 18.456 19.000 0.048 0.000 0.789 299 A HN 0.527 nan 8.150 nan 0.000 0.465 300 K N -0.680 119.568 120.400 -0.253 0.000 2.360 300 K HA 0.050 4.369 4.320 -0.000 0.000 0.196 300 K C 1.515 177.642 176.600 -0.789 0.000 1.049 300 K CA 0.781 56.839 56.287 -0.382 0.000 1.049 300 K CB 0.416 32.778 32.500 -0.230 0.000 0.881 300 K HN 0.530 nan 8.250 nan 0.000 0.542 301 S N -0.581 114.759 115.700 -0.600 0.000 2.578 301 S HA 0.099 4.569 4.470 -0.000 0.000 0.228 301 S C 0.050 174.465 174.600 -0.307 0.000 1.022 301 S CA -0.420 57.465 58.200 -0.525 0.000 0.967 301 S CB 0.466 63.522 63.200 -0.240 0.000 0.914 301 S HN 0.003 nan 8.310 nan 0.000 0.515 302 D N 1.688 121.877 120.400 -0.352 0.000 2.649 302 D HA 0.336 4.975 4.640 -0.000 0.000 0.249 302 D C 0.527 176.750 176.300 -0.128 0.000 1.112 302 D CA -0.042 53.771 54.000 -0.311 0.000 0.850 302 D CB 2.459 42.743 40.800 -0.860 0.000 1.399 302 D HN 0.201 nan 8.370 nan 0.000 0.503 303 T N 0.726 115.265 114.554 -0.025 0.000 3.044 303 T HA 0.076 4.426 4.350 -0.000 0.000 0.250 303 T C 1.164 175.872 174.700 0.013 0.000 1.081 303 T CA -0.173 61.929 62.100 0.003 0.000 1.040 303 T CB 0.163 69.013 68.868 -0.029 0.000 0.962 303 T HN 0.528 nan 8.240 nan 0.000 0.506 304 R N 0.851 121.343 120.500 -0.013 0.000 3.322 304 R HA -0.144 4.196 4.340 -0.000 0.000 0.253 304 R C 1.170 177.499 176.300 0.047 0.000 0.987 304 R CA 0.958 57.083 56.100 0.041 0.000 0.666 304 R CB -1.895 28.458 30.300 0.087 0.000 1.072 304 R HN 1.112 nan 8.270 nan 0.000 0.447 305 G N -3.121 105.696 108.800 0.029 0.000 2.176 305 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.253 305 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.253 305 G C 0.490 175.403 174.900 0.021 0.000 0.979 305 G CA 0.093 45.207 45.100 0.024 0.000 0.641 305 G HN 0.970 nan 8.290 nan 0.000 0.530 306 G N -0.629 108.189 108.800 0.030 0.000 2.642 306 G HA2 0.669 4.629 3.960 -0.000 0.000 0.291 306 G HA3 0.669 4.629 3.960 -0.000 0.000 0.291 306 G C 1.186 176.082 174.900 -0.006 0.000 1.345 306 G CA 0.848 45.968 45.100 0.033 0.000 1.043 306 G HN 1.139 nan 8.290 nan 0.000 0.528 307 S N -1.588 114.104 115.700 -0.014 0.000 2.486 307 S HA 0.151 4.620 4.470 -0.000 0.000 0.220 307 S C 0.756 175.290 174.600 -0.110 0.000 1.011 307 S CA 0.395 58.563 58.200 -0.053 0.000 0.921 307 S CB -0.203 62.976 63.200 -0.036 0.000 0.785 307 S HN 0.678 nan 8.310 nan 0.000 0.517 308 K N 0.213 120.543 120.400 -0.117 0.000 2.400 308 K HA 0.485 4.805 4.320 -0.000 0.000 0.246 308 K C -1.167 175.324 176.600 -0.183 0.000 0.995 308 K CA -0.997 55.173 56.287 -0.196 0.000 0.840 308 K CB 0.562 32.957 32.500 -0.175 0.000 1.293 308 K HN -0.043 nan 8.250 nan 0.000 0.445 309 H N 1.241 120.228 119.070 -0.138 0.000 2.928 309 H HA 0.004 4.560 4.556 -0.000 0.000 0.338 309 H C 1.332 176.549 175.328 -0.186 0.000 1.047 309 H CA -0.227 55.733 56.048 -0.146 0.000 1.435 309 H CB 0.569 30.257 29.762 -0.124 0.000 1.428 309 H HN 0.556 nan 8.280 nan 0.000 0.590 310 I N 3.339 123.912 120.570 0.005 0.000 2.229 310 I HA -0.296 3.874 4.170 -0.000 0.000 0.250 310 I C 2.561 178.683 176.117 0.008 0.000 1.096 310 I CA 1.107 62.425 61.300 0.029 0.000 1.358 310 I CB -0.751 37.276 38.000 0.044 0.000 1.047 310 I HN 0.665 nan 8.210 nan 0.000 0.422 311 I N 0.228 120.791 120.570 -0.012 0.000 3.010 311 I HA -0.209 3.961 4.170 -0.000 0.000 0.271 311 I C 1.695 177.795 176.117 -0.028 0.000 1.293 311 I CA 0.980 62.280 61.300 -0.000 0.000 1.452 311 I CB -0.129 37.865 38.000 -0.009 0.000 1.082 311 I HN 0.193 nan 8.210 nan 0.000 0.484 312 E N -0.152 119.974 120.200 -0.123 0.000 2.479 312 E HA 0.047 4.396 4.350 -0.000 0.000 0.193 312 E C -0.077 176.409 176.600 -0.189 0.000 1.049 312 E CA 0.207 56.513 56.400 -0.157 0.000 0.870 312 E CB -0.016 29.572 29.700 -0.186 0.000 0.944 312 E HN 0.500 nan 8.360 nan 0.000 0.492 313 H N 1.189 120.273 119.070 0.024 0.000 2.620 313 H HA 0.179 4.735 4.556 -0.000 0.000 0.313 313 H C 1.331 176.673 175.328 0.023 0.000 1.075 313 H CA -0.032 56.028 56.048 0.020 0.000 1.397 313 H CB 1.155 30.929 29.762 0.021 0.000 1.446 313 H HN 0.072 nan 8.280 nan 0.000 0.493 314 Q N 1.886 121.774 119.800 0.146 0.000 2.077 314 Q HA -0.125 4.215 4.340 -0.000 0.000 0.206 314 Q C 1.646 177.691 176.000 0.075 0.000 0.989 314 Q CA 1.812 57.666 55.803 0.084 0.000 0.853 314 Q CB 0.089 28.864 28.738 0.062 0.000 0.907 314 Q HN 0.526 nan 8.270 nan 0.000 0.418 315 S N 0.228 115.972 115.700 0.073 0.000 2.428 315 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 315 S C 2.102 176.740 174.600 0.064 0.000 1.014 315 S CA 0.729 58.961 58.200 0.052 0.000 0.957 315 S CB 0.020 63.237 63.200 0.029 0.000 0.784 315 S HN 0.130 nan 8.310 nan 0.000 0.499 316 V N 1.816 121.787 119.914 0.095 0.000 2.488 316 V HA -0.074 4.046 4.120 -0.000 0.000 0.246 316 V C 2.638 178.788 176.094 0.093 0.000 1.046 316 V CA 1.464 63.825 62.300 0.100 0.000 1.053 316 V CB -1.126 30.780 31.823 0.139 0.000 0.679 316 V HN 0.517 nan 8.190 nan 0.000 0.458 317 A N 0.057 122.930 122.820 0.088 0.000 1.877 317 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 317 A C 1.993 179.624 177.584 0.077 0.000 1.186 317 A CA 1.983 54.068 52.037 0.079 0.000 0.620 317 A CB -0.688 18.350 19.000 0.063 0.000 0.822 317 A HN 0.504 nan 8.150 nan 0.000 0.443 318 D N 0.114 120.552 120.400 0.063 0.000 2.126 318 D HA -0.176 4.464 4.640 -0.000 0.000 0.190 318 D C 1.888 178.222 176.300 0.056 0.000 1.001 318 D CA 1.457 55.487 54.000 0.050 0.000 0.841 318 D CB -0.187 40.637 40.800 0.039 0.000 0.949 318 D HN 0.207 nan 8.370 nan 0.000 0.446 319 K N 0.373 120.810 120.400 0.062 0.000 2.032 319 K HA -0.084 4.236 4.320 -0.000 0.000 0.209 319 K C 2.458 179.124 176.600 0.110 0.000 1.048 319 K CA 0.578 56.907 56.287 0.068 0.000 0.927 319 K CB -0.843 31.694 32.500 0.061 0.000 0.712 319 K HN 0.278 nan 8.250 nan 0.000 0.441 320 L N 0.357 121.671 121.223 0.152 0.000 2.093 320 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 320 L C 2.423 179.430 176.870 0.229 0.000 1.085 320 L CA 0.708 55.716 54.840 0.281 0.000 0.755 320 L CB -0.453 41.772 42.059 0.277 0.000 0.904 320 L HN 0.046 nan 8.230 nan 0.000 0.435 321 I N 0.193 120.839 120.570 0.128 0.000 2.113 321 I HA -0.365 3.805 4.170 -0.000 0.000 0.242 321 I C 2.202 178.319 176.117 -0.001 0.000 1.064 321 I CA 1.526 62.859 61.300 0.056 0.000 1.320 321 I CB -0.486 37.540 38.000 0.042 0.000 1.028 321 I HN 0.302 nan 8.210 nan 0.000 0.406 322 D N 0.470 120.878 120.400 0.013 0.000 2.104 322 D HA -0.179 4.461 4.640 -0.000 0.000 0.194 322 D C 2.274 178.544 176.300 -0.050 0.000 0.994 322 D CA 1.406 55.401 54.000 -0.009 0.000 0.830 322 D CB -0.602 40.203 40.800 0.009 0.000 0.959 322 D HN 0.404 nan 8.370 nan 0.000 0.452 323 C N 0.526 119.800 119.300 -0.043 0.000 2.429 323 C HA -0.109 4.350 4.460 -0.000 0.000 0.277 323 C C 2.530 177.301 174.990 -0.364 0.000 1.262 323 C CA 0.488 59.438 59.018 -0.114 0.000 1.733 323 C CB -0.580 27.192 27.740 0.054 0.000 2.010 323 C HN 0.243 nan 8.230 nan 0.000 0.483 324 K N 1.361 121.466 120.400 -0.492 0.000 2.025 324 K HA 0.010 4.330 4.320 -0.000 0.000 0.207 324 K C 1.636 178.050 176.600 -0.310 0.000 1.049 324 K CA 1.516 57.426 56.287 -0.628 0.000 0.933 324 K CB -0.625 31.605 32.500 -0.452 0.000 0.714 324 K HN 0.479 nan 8.250 nan 0.000 0.438 325 I N 0.502 120.966 120.570 -0.177 0.000 2.163 325 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 325 I C 2.430 178.503 176.117 -0.073 0.000 1.085 325 I CA 1.365 62.604 61.300 -0.102 0.000 1.347 325 I CB -0.244 37.725 38.000 -0.050 0.000 1.044 325 I HN 0.179 nan 8.210 nan 0.000 0.408 326 R N 0.465 120.919 120.500 -0.076 0.000 2.091 326 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 326 R C 2.339 178.600 176.300 -0.064 0.000 1.136 326 R CA 1.426 57.498 56.100 -0.046 0.000 0.959 326 R CB -0.457 29.788 30.300 -0.093 0.000 0.856 326 R HN 0.361 nan 8.270 nan 0.000 0.437 327 L N 0.101 121.234 121.223 -0.150 0.000 2.027 327 L HA -0.176 4.164 4.340 -0.000 0.000 0.206 327 L C 2.543 179.326 176.870 -0.146 0.000 1.074 327 L CA 1.228 55.975 54.840 -0.155 0.000 0.745 327 L CB -0.354 41.564 42.059 -0.235 0.000 0.898 327 L HN 0.124 nan 8.230 nan 0.000 0.433 328 E N 0.142 120.240 120.200 -0.170 0.000 2.058 328 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 328 E C 2.099 178.604 176.600 -0.157 0.000 0.997 328 E CA 2.210 58.500 56.400 -0.184 0.000 0.801 328 E CB -0.199 29.395 29.700 -0.177 0.000 0.746 328 E HN 0.533 nan 8.360 nan 0.000 0.450 329 T N -2.184 112.326 114.554 -0.073 0.000 2.821 329 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 329 T C 2.199 176.911 174.700 0.021 0.000 1.046 329 T CA 1.295 63.370 62.100 -0.042 0.000 1.139 329 T CB -0.549 68.325 68.868 0.011 0.000 0.871 329 T HN -0.005 nan 8.240 nan 0.000 0.454 330 S N 1.355 117.141 115.700 0.144 0.000 2.353 330 S HA -0.098 4.372 4.470 -0.000 0.000 0.222 330 S C 2.167 176.749 174.600 -0.030 0.000 1.035 330 S CA 1.462 59.747 58.200 0.141 0.000 1.025 330 S CB -0.381 62.852 63.200 0.055 0.000 0.902 330 S HN 0.548 nan 8.310 nan 0.000 0.440 331 R N 0.237 120.637 120.500 -0.166 0.000 2.092 331 R HA 0.014 4.354 4.340 -0.000 0.000 0.231 331 R C 1.914 177.909 176.300 -0.508 0.000 1.119 331 R CA 0.758 56.636 56.100 -0.369 0.000 0.970 331 R CB -0.260 29.740 30.300 -0.501 0.000 0.864 331 R HN 0.220 nan 8.270 nan 0.000 0.440 332 L N 0.565 121.580 121.223 -0.346 0.000 2.079 332 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 332 L C 2.084 178.949 176.870 -0.009 0.000 1.081 332 L CA 1.369 56.101 54.840 -0.180 0.000 0.752 332 L CB -0.812 41.156 42.059 -0.151 0.000 0.896 332 L HN 0.261 nan 8.230 nan 0.000 0.433 333 L N -1.667 119.541 121.223 -0.025 0.000 2.179 333 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 333 L C 2.339 179.258 176.870 0.082 0.000 1.096 333 L CA 1.182 56.035 54.840 0.022 0.000 0.779 333 L CB -0.333 41.722 42.059 -0.008 0.000 0.922 333 L HN -0.012 nan 8.230 nan 0.000 0.443 334 V N -1.439 118.532 119.914 0.095 0.000 2.307 334 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 334 V C 2.224 178.503 176.094 0.308 0.000 1.045 334 V CA 1.816 64.217 62.300 0.168 0.000 1.024 334 V CB -0.768 31.155 31.823 0.166 0.000 0.651 334 V HN 0.521 nan 8.190 nan 0.000 0.449 335 W N 0.653 121.976 121.300 0.038 0.000 2.338 335 W HA -0.175 4.485 4.660 -0.000 0.000 0.304 335 W C 2.538 179.076 176.519 0.031 0.000 1.212 335 W CA 1.660 59.031 57.345 0.044 0.000 1.264 335 W CB -1.045 28.463 29.460 0.080 0.000 1.142 335 W HN 0.187 nan 8.180 nan 0.000 0.512 336 K N 0.642 121.202 120.400 0.265 0.000 2.026 336 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 336 K C 2.123 178.776 176.600 0.088 0.000 1.048 336 K CA 2.178 58.548 56.287 0.138 0.000 0.929 336 K CB -0.901 31.657 32.500 0.098 0.000 0.713 336 K HN -0.059 nan 8.250 nan 0.000 0.439 337 A N 0.351 123.225 122.820 0.091 0.000 1.877 337 A HA -0.112 4.207 4.320 -0.000 0.000 0.216 337 A C 2.320 179.933 177.584 0.047 0.000 1.186 337 A CA 2.142 54.211 52.037 0.053 0.000 0.620 337 A CB -1.080 17.950 19.000 0.050 0.000 0.822 337 A HN 0.283 nan 8.150 nan 0.000 0.443 338 V N -3.092 116.864 119.914 0.069 0.000 2.427 338 V HA -0.134 3.985 4.120 -0.000 0.000 0.248 338 V C 2.138 178.248 176.094 0.027 0.000 1.051 338 V CA 2.608 64.936 62.300 0.047 0.000 1.048 338 V CB -1.715 30.135 31.823 0.045 0.000 0.666 338 V HN 0.382 nan 8.190 nan 0.000 0.456 339 T N 0.539 115.109 114.554 0.026 0.000 2.867 339 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 339 T C 1.913 176.618 174.700 0.009 0.000 1.057 339 T CA 2.155 64.257 62.100 0.004 0.000 1.136 339 T CB -0.474 68.392 68.868 -0.003 0.000 0.874 339 T HN 0.673 nan 8.240 nan 0.000 0.466 340 T N 2.203 116.767 114.554 0.016 0.000 2.777 340 T HA 0.091 4.441 4.350 -0.000 0.000 0.266 340 T C 1.919 176.633 174.700 0.023 0.000 1.040 340 T CA 0.749 62.856 62.100 0.011 0.000 1.141 340 T CB -0.353 68.516 68.868 0.002 0.000 0.868 340 T HN 0.257 nan 8.240 nan 0.000 0.444 341 L N 0.706 121.949 121.223 0.033 0.000 2.191 341 L HA -0.066 4.274 4.340 -0.000 0.000 0.212 341 L C 2.379 179.293 176.870 0.073 0.000 1.103 341 L CA 1.299 56.181 54.840 0.070 0.000 0.769 341 L CB -0.430 41.676 42.059 0.079 0.000 0.908 341 L HN 0.320 nan 8.230 nan 0.000 0.438 342 E N -1.037 119.188 120.200 0.042 0.000 2.478 342 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 342 E C 0.194 176.809 176.600 0.025 0.000 1.045 342 E CA -0.162 56.256 56.400 0.029 0.000 0.868 342 E CB 0.173 29.880 29.700 0.011 0.000 0.885 342 E HN 0.232 nan 8.360 nan 0.000 0.505 343 D N 1.197 121.614 120.400 0.028 0.000 2.325 343 D HA 0.005 4.645 4.640 -0.000 0.000 0.251 343 D C 0.413 176.736 176.300 0.038 0.000 1.196 343 D CA 0.177 54.192 54.000 0.024 0.000 0.866 343 D CB 0.972 41.782 40.800 0.016 0.000 1.101 343 D HN -0.031 nan 8.370 nan 0.000 0.476 344 E N 2.216 122.434 120.200 0.030 0.000 2.274 344 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 344 E C 1.447 178.069 176.600 0.037 0.000 0.996 344 E CA 0.598 57.019 56.400 0.034 0.000 0.840 344 E CB 0.191 29.904 29.700 0.021 0.000 0.772 344 E HN 0.555 nan 8.360 nan 0.000 0.491 345 A N 0.500 123.339 122.820 0.031 0.000 2.238 345 A HA 0.093 4.413 4.320 -0.000 0.000 0.208 345 A C 0.653 178.260 177.584 0.038 0.000 1.177 345 A CA 0.209 52.264 52.037 0.030 0.000 0.804 345 A CB -0.021 18.992 19.000 0.022 0.000 0.823 345 A HN 0.058 nan 8.150 nan 0.000 0.482 346 L N 0.689 121.940 121.223 0.048 0.000 2.307 346 L HA 0.288 4.628 4.340 -0.000 0.000 0.284 346 L C 0.052 176.970 176.870 0.079 0.000 1.023 346 L CA -0.688 54.182 54.840 0.050 0.000 0.810 346 L CB 1.502 43.583 42.059 0.036 0.000 1.231 346 L HN 0.238 nan 8.230 nan 0.000 0.423 347 E N 2.118 122.362 120.200 0.074 0.000 2.467 347 E HA -0.172 4.178 4.350 -0.000 0.000 0.264 347 E C 0.327 177.017 176.600 0.150 0.000 1.020 347 E CA 0.357 56.823 56.400 0.110 0.000 0.945 347 E CB 0.961 30.709 29.700 0.080 0.000 0.942 347 E HN 0.686 nan 8.360 nan 0.000 0.449 348 W N 4.551 125.859 121.300 0.013 0.000 2.335 348 W HA -0.291 4.369 4.660 -0.000 0.000 0.311 348 W C 1.713 178.244 176.519 0.021 0.000 1.213 348 W CA 1.863 59.216 57.345 0.014 0.000 1.274 348 W CB 0.021 29.486 29.460 0.010 0.000 1.148 348 W HN 0.598 nan 8.180 nan 0.000 0.498 349 K N 0.179 120.527 120.400 -0.086 0.000 2.074 349 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 349 K C 1.678 178.162 176.600 -0.194 0.000 1.048 349 K CA 2.319 58.501 56.287 -0.174 0.000 0.926 349 K CB -1.282 31.219 32.500 0.001 0.000 0.713 349 K HN 0.092 nan 8.250 nan 0.000 0.444 350 V N 1.737 121.585 119.914 -0.110 0.000 2.261 350 V HA -0.245 3.874 4.120 -0.000 0.000 0.246 350 V C 2.310 178.304 176.094 -0.166 0.000 1.047 350 V CA 2.102 64.347 62.300 -0.091 0.000 1.015 350 V CB -0.533 31.266 31.823 -0.041 0.000 0.642 350 V HN 0.363 nan 8.190 nan 0.000 0.446 351 K N -0.361 119.900 120.400 -0.231 0.000 2.103 351 K HA -0.187 4.132 4.320 -0.000 0.000 0.207 351 K C 2.059 178.359 176.600 -0.499 0.000 1.048 351 K CA 1.449 57.556 56.287 -0.299 0.000 0.930 351 K CB -0.330 32.026 32.500 -0.239 0.000 0.716 351 K HN 0.292 nan 8.250 nan 0.000 0.444 352 L N 1.474 122.232 121.223 -0.774 0.000 2.072 352 L HA -0.104 4.235 4.340 -0.000 0.000 0.205 352 L C 2.305 178.981 176.870 -0.323 0.000 1.079 352 L CA 1.671 56.093 54.840 -0.696 0.000 0.752 352 L CB -0.273 41.287 42.059 -0.832 0.000 0.906 352 L HN 0.146 nan 8.230 nan 0.000 0.436 353 E N -0.666 119.392 120.200 -0.236 0.000 2.110 353 E HA -0.295 4.055 4.350 -0.000 0.000 0.193 353 E C 2.104 178.651 176.600 -0.087 0.000 0.988 353 E CA 1.685 58.013 56.400 -0.121 0.000 0.804 353 E CB -0.072 29.608 29.700 -0.033 0.000 0.745 353 E HN 0.473 nan 8.360 nan 0.000 0.458 354 M N 0.570 120.111 119.600 -0.097 0.000 2.200 354 M HA -0.016 4.464 4.480 -0.000 0.000 0.265 354 M C 1.995 178.268 176.300 -0.045 0.000 1.066 354 M CA 1.763 57.032 55.300 -0.052 0.000 1.127 354 M CB -0.318 32.255 32.600 -0.044 0.000 1.379 354 M HN 0.105 nan 8.290 nan 0.000 0.420 355 A N -0.182 122.589 122.820 -0.082 0.000 1.968 355 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 355 A C 2.015 179.580 177.584 -0.032 0.000 1.169 355 A CA 1.573 53.578 52.037 -0.054 0.000 0.638 355 A CB -0.551 18.400 19.000 -0.082 0.000 0.812 355 A HN 0.534 nan 8.150 nan 0.000 0.446 356 M N -0.502 119.070 119.600 -0.047 0.000 2.123 356 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 356 M C 2.235 178.536 176.300 0.002 0.000 1.069 356 M CA 1.327 56.611 55.300 -0.027 0.000 1.133 356 M CB -1.659 30.914 32.600 -0.045 0.000 1.356 356 M HN 0.521 nan 8.290 nan 0.000 0.415 357 Q N -0.162 119.640 119.800 0.003 0.000 2.062 357 Q HA -0.186 4.153 4.340 -0.000 0.000 0.209 357 Q C 2.033 178.077 176.000 0.072 0.000 0.996 357 Q CA 2.413 58.235 55.803 0.033 0.000 0.859 357 Q CB -0.712 28.038 28.738 0.019 0.000 0.920 357 Q HN 0.507 nan 8.270 nan 0.000 0.415 358 T N 1.141 115.728 114.554 0.055 0.000 2.684 358 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 358 T C 1.733 176.486 174.700 0.088 0.000 1.036 358 T CA 1.224 63.373 62.100 0.081 0.000 1.148 358 T CB -0.122 68.779 68.868 0.054 0.000 0.863 358 T HN 0.121 nan 8.240 nan 0.000 0.436 359 K N 1.035 121.466 120.400 0.052 0.000 2.026 359 K HA 0.000 4.320 4.320 -0.000 0.000 0.208 359 K C 2.276 178.911 176.600 0.058 0.000 1.048 359 K CA 1.230 57.543 56.287 0.043 0.000 0.929 359 K CB -0.650 31.862 32.500 0.020 0.000 0.713 359 K HN 0.373 nan 8.250 nan 0.000 0.439 360 I N -0.012 120.596 120.570 0.062 0.000 2.099 360 I HA -0.333 3.837 4.170 -0.000 0.000 0.239 360 I C 2.495 178.666 176.117 0.090 0.000 1.066 360 I CA 1.683 63.023 61.300 0.066 0.000 1.324 360 I CB -0.532 37.504 38.000 0.060 0.000 1.037 360 I HN 0.153 nan 8.210 nan 0.000 0.401 361 Y N 1.863 122.167 120.300 0.007 0.000 2.070 361 Y HA -0.337 4.213 4.550 -0.000 0.000 0.279 361 Y C 3.020 178.922 175.900 0.003 0.000 1.134 361 Y CA 2.466 60.568 58.100 0.004 0.000 1.113 361 Y CB -0.847 37.613 38.460 0.000 0.000 0.981 361 Y HN 0.319 nan 8.280 nan 0.000 0.487 362 T N -2.658 111.909 114.554 0.022 0.000 2.759 362 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 362 T C 1.813 176.444 174.700 -0.115 0.000 1.042 362 T CA 2.258 64.304 62.100 -0.089 0.000 1.140 362 T CB -1.403 67.477 68.868 0.020 0.000 0.864 362 T HN 0.606 nan 8.240 nan 0.000 0.455 363 T N -0.531 114.000 114.554 -0.037 0.000 2.851 363 T HA -0.040 4.310 4.350 -0.000 0.000 0.262 363 T C 1.702 176.403 174.700 0.001 0.000 1.043 363 T CA 1.082 63.201 62.100 0.032 0.000 1.140 363 T CB -0.564 68.375 68.868 0.118 0.000 0.872 363 T HN 0.211 nan 8.240 nan 0.000 0.446 364 D N 1.064 121.433 120.400 -0.052 0.000 2.097 364 D HA -0.033 4.607 4.640 -0.000 0.000 0.195 364 D C 2.255 178.481 176.300 -0.123 0.000 0.989 364 D CA 0.743 54.701 54.000 -0.070 0.000 0.827 364 D CB -0.592 40.165 40.800 -0.070 0.000 0.966 364 D HN 0.253 nan 8.370 nan 0.000 0.456 365 V N 0.796 120.554 119.914 -0.261 0.000 2.548 365 V HA -0.162 3.958 4.120 -0.000 0.000 0.249 365 V C 2.327 178.321 176.094 -0.166 0.000 1.055 365 V CA 1.494 63.609 62.300 -0.309 0.000 1.065 365 V CB -0.456 30.939 31.823 -0.714 0.000 0.681 365 V HN 0.178 nan 8.190 nan 0.000 0.462 366 A N -0.238 122.515 122.820 -0.111 0.000 1.908 366 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 366 A C 2.375 179.975 177.584 0.027 0.000 1.181 366 A CA 2.209 54.238 52.037 -0.013 0.000 0.627 366 A CB -0.688 18.344 19.000 0.054 0.000 0.818 366 A HN 0.339 nan 8.150 nan 0.000 0.445 367 V N 0.032 119.958 119.914 0.021 0.000 2.233 367 V HA -0.336 3.784 4.120 -0.000 0.000 0.247 367 V C 2.399 178.499 176.094 0.010 0.000 1.050 367 V CA 2.455 64.767 62.300 0.019 0.000 1.010 367 V CB -1.049 30.775 31.823 0.002 0.000 0.637 367 V HN 0.665 nan 8.190 nan 0.000 0.444 368 E N -0.955 119.236 120.200 -0.015 0.000 2.108 368 E HA -0.356 3.994 4.350 -0.000 0.000 0.203 368 E C 2.266 178.867 176.600 0.002 0.000 1.022 368 E CA 1.987 58.377 56.400 -0.016 0.000 0.823 368 E CB -0.451 29.225 29.700 -0.040 0.000 0.744 368 E HN 0.707 nan 8.360 nan 0.000 0.456 369 C N 0.200 119.502 119.300 0.005 0.000 2.446 369 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 369 C C 2.701 177.743 174.990 0.087 0.000 1.275 369 C CA 0.671 59.709 59.018 0.034 0.000 1.727 369 C CB -0.754 26.997 27.740 0.018 0.000 2.010 369 C HN 0.225 nan 8.230 nan 0.000 0.486 370 V N 1.097 121.069 119.914 0.096 0.000 2.343 370 V HA -0.194 3.925 4.120 -0.000 0.000 0.247 370 V C 2.300 178.446 176.094 0.088 0.000 1.051 370 V CA 2.407 64.794 62.300 0.145 0.000 1.036 370 V CB -0.581 31.326 31.823 0.140 0.000 0.654 370 V HN 0.568 nan 8.190 nan 0.000 0.451 371 I N -0.103 120.491 120.570 0.041 0.000 2.202 371 I HA -0.217 3.952 4.170 -0.000 0.000 0.242 371 I C 2.357 178.457 176.117 -0.027 0.000 1.091 371 I CA 1.592 62.892 61.300 0.000 0.000 1.368 371 I CB -0.496 37.504 38.000 -0.001 0.000 1.058 371 I HN 0.308 nan 8.210 nan 0.000 0.410 372 D N 1.110 121.508 120.400 -0.003 0.000 2.123 372 D HA -0.188 4.452 4.640 -0.000 0.000 0.196 372 D C 2.235 178.528 176.300 -0.013 0.000 0.992 372 D CA 1.672 55.671 54.000 -0.001 0.000 0.833 372 D CB -0.186 40.629 40.800 0.025 0.000 0.954 372 D HN 0.358 nan 8.370 nan 0.000 0.455 373 A N 0.575 123.404 122.820 0.014 0.000 1.940 373 A HA -0.182 4.137 4.320 -0.000 0.000 0.219 373 A C 2.289 179.685 177.584 -0.313 0.000 1.176 373 A CA 1.429 53.459 52.037 -0.012 0.000 0.631 373 A CB -0.532 18.583 19.000 0.192 0.000 0.814 373 A HN 0.185 nan 8.150 nan 0.000 0.446 374 M N -0.962 118.399 119.600 -0.398 0.000 2.175 374 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 374 M C 2.102 178.210 176.300 -0.320 0.000 1.063 374 M CA 1.586 56.547 55.300 -0.564 0.000 1.119 374 M CB -0.290 32.106 32.600 -0.341 0.000 1.377 374 M HN 0.340 nan 8.290 nan 0.000 0.415 375 K N 0.268 120.561 120.400 -0.178 0.000 2.097 375 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 375 K C 2.107 178.659 176.600 -0.080 0.000 1.050 375 K CA 1.364 57.586 56.287 -0.108 0.000 0.938 375 K CB -0.219 32.243 32.500 -0.064 0.000 0.718 375 K HN 0.271 nan 8.250 nan 0.000 0.442 376 A N 1.023 123.804 122.820 -0.065 0.000 1.877 376 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 376 A C 2.366 179.966 177.584 0.027 0.000 1.186 376 A CA 1.341 53.382 52.037 0.006 0.000 0.620 376 A CB -0.664 18.362 19.000 0.043 0.000 0.822 376 A HN 0.064 nan 8.150 nan 0.000 0.443 377 V N -0.943 118.910 119.914 -0.101 0.000 2.407 377 V HA 0.154 4.274 4.120 -0.000 0.000 0.248 377 V C 1.808 177.812 176.094 -0.150 0.000 1.055 377 V CA 1.497 63.667 62.300 -0.216 0.000 1.049 377 V CB -1.597 29.872 31.823 -0.589 0.000 0.662 377 V HN 1.260 nan 8.190 nan 0.000 0.455 378 G N -1.012 107.698 108.800 -0.150 0.000 2.484 378 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.225 378 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.225 378 G C 0.365 175.198 174.900 -0.111 0.000 1.250 378 G CA 0.277 45.323 45.100 -0.090 0.000 0.926 378 G HN 0.195 nan 8.290 nan 0.000 0.581 379 M N 0.592 120.156 119.600 -0.060 0.000 2.267 379 M HA 0.088 4.567 4.480 -0.000 0.000 0.263 379 M C 2.213 178.509 176.300 -0.006 0.000 1.063 379 M CA 2.688 57.964 55.300 -0.040 0.000 1.090 379 M CB -0.502 32.087 32.600 -0.018 0.000 1.392 379 M HN 0.532 nan 8.290 nan 0.000 0.422 380 K N -0.813 119.553 120.400 -0.056 0.000 2.288 380 K HA -0.046 4.274 4.320 -0.000 0.000 0.201 380 K C 1.887 178.456 176.600 -0.053 0.000 1.048 380 K CA 1.268 57.520 56.287 -0.058 0.000 0.956 380 K CB -0.205 32.218 32.500 -0.129 0.000 0.746 380 K HN 0.564 nan 8.250 nan 0.000 0.461 381 S N -0.236 115.396 115.700 -0.113 0.000 2.481 381 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 381 S C 1.698 176.359 174.600 0.102 0.000 0.996 381 S CA 0.481 58.634 58.200 -0.078 0.000 0.942 381 S CB -0.307 62.591 63.200 -0.502 0.000 0.768 381 S HN 0.333 nan 8.310 nan 0.000 0.520 382 Y N 2.684 122.951 120.300 -0.054 0.000 2.529 382 Y HA 0.526 5.076 4.550 -0.000 0.000 0.290 382 Y C 0.923 176.823 175.900 0.000 0.000 1.177 382 Y CA -0.532 57.553 58.100 -0.024 0.000 1.305 382 Y CB -0.471 37.967 38.460 -0.037 0.000 1.047 382 Y HN 0.458 nan 8.280 nan 0.000 0.522 383 A N -0.023 122.811 122.820 0.023 0.000 2.340 383 A HA 0.366 4.686 4.320 -0.000 0.000 0.331 383 A C 0.774 178.338 177.584 -0.033 0.000 1.140 383 A CA -0.758 51.262 52.037 -0.029 0.000 0.801 383 A CB 0.927 19.937 19.000 0.016 0.000 1.234 383 A HN 0.311 nan 8.150 nan 0.000 0.469 384 K N 0.813 121.179 120.400 -0.057 0.000 2.616 384 K HA -0.069 4.251 4.320 -0.000 0.000 0.192 384 K C 0.154 176.731 176.600 -0.037 0.000 1.031 384 K CA 1.004 57.260 56.287 -0.052 0.000 1.004 384 K CB 0.137 32.601 32.500 -0.060 0.000 0.810 384 K HN 0.802 nan 8.250 nan 0.000 0.497 385 D N -0.241 120.146 120.400 -0.022 0.000 2.339 385 D HA -0.025 4.615 4.640 -0.000 0.000 0.217 385 D C 0.664 176.953 176.300 -0.018 0.000 1.050 385 D CA 0.176 54.165 54.000 -0.020 0.000 0.856 385 D CB 0.253 41.049 40.800 -0.008 0.000 0.922 385 D HN 0.077 nan 8.370 nan 0.000 0.518 386 M N -0.232 119.363 119.600 -0.009 0.000 2.753 386 M HA 0.271 4.750 4.480 -0.000 0.000 0.299 386 M C 0.998 177.241 176.300 -0.095 0.000 1.219 386 M CA -0.763 54.520 55.300 -0.028 0.000 0.900 386 M CB 1.916 34.572 32.600 0.093 0.000 1.628 386 M HN -0.302 nan 8.290 nan 0.000 0.502 387 S N -0.089 115.450 115.700 -0.268 0.000 2.436 387 S HA 0.001 4.471 4.470 -0.000 0.000 0.228 387 S C 1.459 175.920 174.600 -0.231 0.000 1.014 387 S CA 0.953 58.979 58.200 -0.290 0.000 0.950 387 S CB -0.297 62.669 63.200 -0.391 0.000 0.784 387 S HN 0.492 nan 8.310 nan 0.000 0.504 388 F N 2.030 121.950 119.950 -0.050 0.000 2.120 388 F HA -0.050 4.477 4.527 -0.000 0.000 0.300 388 F C -0.493 175.276 175.800 -0.053 0.000 1.095 388 F CA 0.896 58.871 58.000 -0.041 0.000 1.249 388 F CB -2.269 36.710 39.000 -0.035 0.000 0.995 388 F HN 0.186 nan 8.300 nan 0.000 0.480 389 P HA -0.211 nan 4.420 nan 0.000 0.216 389 P C 1.583 178.863 177.300 -0.034 0.000 1.153 389 P CA 1.783 64.875 63.100 -0.013 0.000 0.858 389 P CB -0.137 31.512 31.700 -0.084 0.000 0.789 390 R N 0.005 120.477 120.500 -0.047 0.000 2.082 390 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 390 R C 2.256 178.508 176.300 -0.080 0.000 1.136 390 R CA 1.587 57.645 56.100 -0.070 0.000 0.935 390 R CB -1.060 29.199 30.300 -0.069 0.000 0.842 390 R HN 0.129 nan 8.270 nan 0.000 0.430 391 L N 0.924 122.115 121.223 -0.053 0.000 2.127 391 L HA -0.222 4.117 4.340 -0.000 0.000 0.211 391 L C 2.541 179.413 176.870 0.003 0.000 1.089 391 L CA 0.659 55.486 54.840 -0.020 0.000 0.757 391 L CB -0.559 41.503 42.059 0.004 0.000 0.899 391 L HN 0.300 nan 8.230 nan 0.000 0.434 392 L N 0.148 121.387 121.223 0.028 0.000 2.017 392 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 392 L C 2.260 179.102 176.870 -0.046 0.000 1.073 392 L CA 1.856 56.708 54.840 0.020 0.000 0.745 392 L CB -0.793 41.291 42.059 0.042 0.000 0.894 392 L HN 0.264 nan 8.230 nan 0.000 0.432 393 N N -0.478 118.176 118.700 -0.077 0.000 2.270 393 N HA -0.157 4.583 4.740 -0.000 0.000 0.181 393 N C 1.597 176.987 175.510 -0.201 0.000 1.016 393 N CA 1.441 54.423 53.050 -0.113 0.000 0.870 393 N CB -0.037 38.391 38.487 -0.099 0.000 0.979 393 N HN 0.586 nan 8.380 nan 0.000 0.431 394 E N 0.613 120.650 120.200 -0.273 0.000 2.107 394 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 394 E C 1.924 178.219 176.600 -0.509 0.000 0.982 394 E CA 0.410 56.503 56.400 -0.511 0.000 0.809 394 E CB 0.073 29.437 29.700 -0.561 0.000 0.756 394 E HN 0.021 nan 8.360 nan 0.000 0.459 395 V N 1.092 120.826 119.914 -0.300 0.000 2.667 395 V HA -0.160 3.959 4.120 -0.000 0.000 0.252 395 V C 1.898 177.808 176.094 -0.306 0.000 1.065 395 V CA 1.054 63.204 62.300 -0.250 0.000 1.083 395 V CB -0.094 31.754 31.823 0.042 0.000 0.692 395 V HN 0.293 nan 8.190 nan 0.000 0.468 396 M N -1.358 118.098 119.600 -0.240 0.000 2.557 396 M HA -0.089 4.390 4.480 -0.000 0.000 0.259 396 M C 2.175 178.331 176.300 -0.240 0.000 1.086 396 M CA 1.171 56.367 55.300 -0.173 0.000 1.096 396 M CB -1.938 30.595 32.600 -0.112 0.000 1.424 396 M HN 0.620 nan 8.290 nan 0.000 0.488 397 C N -0.049 118.992 119.300 -0.431 0.000 2.457 397 C HA -0.171 4.289 4.460 -0.000 0.000 0.278 397 C C 2.539 177.220 174.990 -0.515 0.000 1.309 397 C CA 0.603 59.309 59.018 -0.519 0.000 1.735 397 C CB -0.947 26.384 27.740 -0.682 0.000 1.992 397 C HN 0.505 nan 8.230 nan 0.000 0.493 398 Y N 2.321 122.441 120.300 -0.300 0.000 2.200 398 Y HA 0.025 4.575 4.550 -0.000 0.000 0.290 398 Y C 0.091 176.071 175.900 0.134 0.000 1.137 398 Y CA 1.229 59.249 58.100 -0.133 0.000 1.163 398 Y CB -2.315 36.118 38.460 -0.044 0.000 0.988 398 Y HN 0.406 nan 8.280 nan 0.000 0.518 399 P HA -0.058 nan 4.420 nan 0.000 0.229 399 P C 1.243 178.595 177.300 0.087 0.000 1.160 399 P CA 1.369 64.538 63.100 0.115 0.000 0.777 399 P CB 0.028 31.756 31.700 0.048 0.000 0.814 400 L N -1.662 119.599 121.223 0.064 0.000 2.354 400 L HA 0.161 4.501 4.340 -0.000 0.000 0.212 400 L C 1.730 178.628 176.870 0.046 0.000 1.091 400 L CA 0.156 54.995 54.840 -0.001 0.000 0.828 400 L CB -0.409 41.597 42.059 -0.089 0.000 0.973 400 L HN -0.020 nan 8.230 nan 0.000 0.461 401 F N -1.013 118.860 119.950 -0.128 0.000 2.461 401 F HA 0.374 4.901 4.527 -0.000 0.000 0.337 401 F C 0.697 176.448 175.800 -0.080 0.000 1.079 401 F CA -0.867 57.043 58.000 -0.149 0.000 1.032 401 F CB 0.597 39.514 39.000 -0.138 0.000 1.327 401 F HN -0.081 nan 8.300 nan 0.000 0.491 402 D N 0.500 120.571 120.400 -0.548 0.000 2.837 402 D HA -0.072 4.568 4.640 -0.000 0.000 0.230 402 D C -0.044 176.095 176.300 -0.269 0.000 1.152 402 D CA 1.725 55.398 54.000 -0.546 0.000 0.736 402 D CB -1.366 38.887 40.800 -0.912 0.000 1.084 402 D HN 1.525 nan 8.370 nan 0.000 0.429 403 G N -1.298 107.352 108.800 -0.249 0.000 3.421 403 G HA2 0.330 4.290 3.960 -0.000 0.000 0.656 403 G HA3 0.330 4.290 3.960 -0.000 0.000 0.656 403 G C 0.548 175.384 174.900 -0.107 0.000 1.007 403 G CA -0.023 44.951 45.100 -0.210 0.000 0.811 403 G HN 0.912 nan 8.290 nan 0.000 0.433 404 G N 1.440 110.187 108.800 -0.089 0.000 2.630 404 G HA2 0.338 4.298 3.960 -0.000 0.000 0.236 404 G HA3 0.338 4.298 3.960 -0.000 0.000 0.236 404 G C 1.000 175.882 174.900 -0.028 0.000 1.248 404 G CA 0.351 45.424 45.100 -0.045 0.000 0.844 404 G HN 0.698 nan 8.290 nan 0.000 0.588 405 N N 0.421 119.117 118.700 -0.008 0.000 2.171 405 N HA -0.104 4.636 4.740 -0.000 0.000 0.184 405 N C 2.264 177.768 175.510 -0.010 0.000 1.021 405 N CA 0.547 53.595 53.050 -0.003 0.000 0.854 405 N CB -0.102 38.391 38.487 0.011 0.000 0.994 405 N HN 0.405 nan 8.380 nan 0.000 0.426 406 I N 0.442 121.005 120.570 -0.012 0.000 2.163 406 I HA -0.073 4.097 4.170 -0.000 0.000 0.240 406 I C 2.328 178.436 176.117 -0.015 0.000 1.081 406 I CA 1.337 62.630 61.300 -0.013 0.000 1.353 406 I CB -1.691 36.301 38.000 -0.013 0.000 1.054 406 I HN 0.109 nan 8.210 nan 0.000 0.407 407 G N -0.064 108.726 108.800 -0.018 0.000 2.426 407 G HA2 0.033 3.993 3.960 -0.000 0.000 0.214 407 G HA3 0.033 3.993 3.960 -0.000 0.000 0.214 407 G C 1.768 176.662 174.900 -0.009 0.000 1.156 407 G CA 0.261 45.353 45.100 -0.014 0.000 0.802 407 G HN 0.267 nan 8.290 nan 0.000 0.534 408 L N -0.817 120.394 121.223 -0.020 0.000 2.488 408 L HA 0.255 4.594 4.340 -0.000 0.000 0.186 408 L C 2.700 179.558 176.870 -0.020 0.000 1.124 408 L CA 0.120 54.949 54.840 -0.018 0.000 0.838 408 L CB -0.038 41.991 42.059 -0.050 0.000 1.107 408 L HN -0.147 nan 8.230 nan 0.000 0.494 409 K N 0.754 121.139 120.400 -0.026 0.000 2.057 409 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 409 K C 2.085 178.671 176.600 -0.024 0.000 1.049 409 K CA 1.407 57.680 56.287 -0.023 0.000 0.931 409 K CB -0.321 32.170 32.500 -0.015 0.000 0.714 409 K HN 0.235 nan 8.250 nan 0.000 0.440 410 R N 0.389 120.876 120.500 -0.021 0.000 2.148 410 R HA -0.014 4.326 4.340 -0.000 0.000 0.223 410 R C 2.331 178.609 176.300 -0.037 0.000 1.088 410 R CA 0.716 56.800 56.100 -0.026 0.000 0.985 410 R CB -0.052 30.237 30.300 -0.018 0.000 0.880 410 R HN -0.026 nan 8.270 nan 0.000 0.451 411 R N 0.801 121.283 120.500 -0.030 0.000 2.062 411 R HA -0.031 4.309 4.340 -0.000 0.000 0.229 411 R C 2.161 178.437 176.300 -0.040 0.000 1.128 411 R CA 1.416 57.497 56.100 -0.032 0.000 0.960 411 R CB -0.372 29.918 30.300 -0.016 0.000 0.855 411 R HN 0.256 nan 8.270 nan 0.000 0.432 412 Q N -0.456 119.325 119.800 -0.031 0.000 2.135 412 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 412 Q C 2.094 178.051 176.000 -0.072 0.000 0.981 412 Q CA 1.757 57.538 55.803 -0.036 0.000 0.856 412 Q CB -0.192 28.537 28.738 -0.015 0.000 0.902 412 Q HN 0.334 nan 8.270 nan 0.000 0.425 413 M N 0.402 119.954 119.600 -0.080 0.000 2.099 413 M HA -0.240 4.240 4.480 -0.000 0.000 0.262 413 M C 2.369 178.574 176.300 -0.158 0.000 1.067 413 M CA 1.560 56.791 55.300 -0.115 0.000 1.124 413 M CB -0.045 32.502 32.600 -0.089 0.000 1.353 413 M HN 0.176 nan 8.290 nan 0.000 0.410 414 Q N 0.254 119.980 119.800 -0.124 0.000 2.045 414 Q HA -0.298 4.041 4.340 -0.000 0.000 0.206 414 Q C 2.117 178.023 176.000 -0.157 0.000 0.991 414 Q CA 2.210 57.932 55.803 -0.136 0.000 0.851 414 Q CB -0.324 28.360 28.738 -0.089 0.000 0.911 414 Q HN 0.466 nan 8.270 nan 0.000 0.418 415 R N -0.503 119.925 120.500 -0.119 0.000 2.113 415 R HA -0.183 4.157 4.340 -0.000 0.000 0.244 415 R C 2.218 178.431 176.300 -0.146 0.000 1.142 415 R CA 1.938 57.974 56.100 -0.107 0.000 0.953 415 R CB -0.338 29.920 30.300 -0.070 0.000 0.860 415 R HN 0.274 nan 8.270 nan 0.000 0.438 416 V N 0.757 120.564 119.914 -0.179 0.000 2.515 416 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 416 V C 2.261 178.091 176.094 -0.440 0.000 1.058 416 V CA 1.699 63.872 62.300 -0.211 0.000 1.064 416 V CB -0.301 31.418 31.823 -0.174 0.000 0.675 416 V HN 0.399 nan 8.190 nan 0.000 0.461 417 M N -0.393 118.830 119.600 -0.629 0.000 2.349 417 M HA -0.006 4.474 4.480 -0.000 0.000 0.266 417 M C 2.172 178.157 176.300 -0.525 0.000 1.076 417 M CA 1.508 56.164 55.300 -1.073 0.000 1.126 417 M CB -0.343 31.794 32.600 -0.772 0.000 1.392 417 M HN 0.362 nan 8.290 nan 0.000 0.440 418 A N 0.435 123.083 122.820 -0.287 0.000 2.067 418 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 418 A C 1.040 178.575 177.584 -0.083 0.000 1.156 418 A CA 0.229 52.178 52.037 -0.146 0.000 0.683 418 A CB -0.521 18.414 19.000 -0.109 0.000 0.808 418 A HN 0.338 nan 8.150 nan 0.000 0.455 419 L N 0.288 121.465 121.223 -0.077 0.000 2.483 419 L HA 0.011 4.351 4.340 -0.000 0.000 0.276 419 L C 1.461 178.352 176.870 0.035 0.000 1.213 419 L CA -0.250 54.583 54.840 -0.010 0.000 0.843 419 L CB 0.308 42.373 42.059 0.009 0.000 1.107 419 L HN 0.393 nan 8.230 nan 0.000 0.487 420 E N 1.319 121.536 120.200 0.029 0.000 2.153 420 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 420 E C 0.702 177.332 176.600 0.050 0.000 0.988 420 E CA 1.500 57.920 56.400 0.034 0.000 0.811 420 E CB 0.058 29.769 29.700 0.019 0.000 0.746 420 E HN 0.748 nan 8.360 nan 0.000 0.466 421 D N -0.595 119.838 120.400 0.056 0.000 2.388 421 D HA -0.112 4.528 4.640 -0.000 0.000 0.221 421 D C 0.036 176.374 176.300 0.063 0.000 1.133 421 D CA -0.507 53.521 54.000 0.046 0.000 0.831 421 D CB -0.853 39.966 40.800 0.032 0.000 0.962 421 D HN 0.151 nan 8.370 nan 0.000 0.502 422 Y N 1.914 122.186 120.300 -0.048 0.000 2.729 422 Y HA 0.076 4.626 4.550 -0.000 0.000 0.331 422 Y C -0.264 175.582 175.900 -0.090 0.000 1.208 422 Y CA 0.145 58.200 58.100 -0.075 0.000 1.521 422 Y CB 0.423 38.829 38.460 -0.090 0.000 1.233 422 Y HN -0.131 nan 8.280 nan 0.000 0.539 423 E N 8.832 128.719 120.200 -0.522 0.000 2.101 423 E HA 0.164 4.514 4.350 -0.000 0.000 0.260 423 E C -1.957 174.147 176.600 -0.826 0.000 0.897 423 E CA -1.984 54.098 56.400 -0.530 0.000 0.744 423 E CB 1.290 30.860 29.700 -0.216 0.000 1.140 423 E HN 0.608 nan 8.360 nan 0.000 0.419 424 P HA -0.156 nan 4.420 nan 0.000 0.216 424 P C -0.090 176.699 177.300 -0.852 0.000 1.150 424 P CA 1.224 63.541 63.100 -1.305 0.000 0.837 424 P CB 0.155 30.934 31.700 -1.535 0.000 0.786 425 W N -1.952 119.270 121.300 -0.130 0.000 2.926 425 W HA 0.547 5.207 4.660 -0.001 0.000 0.419 425 W C 1.674 178.183 176.519 -0.018 0.000 0.993 425 W CA -0.404 56.927 57.345 -0.023 0.000 2.025 425 W CB -0.362 29.184 29.460 0.144 0.000 1.152 425 W HN -0.142 nan 8.180 nan 0.000 0.659 426 A N 0.942 123.806 122.820 0.074 0.000 1.972 426 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 426 A C 2.164 179.778 177.584 0.049 0.000 1.169 426 A CA 2.004 54.073 52.037 0.053 0.000 0.635 426 A CB -0.586 18.406 19.000 -0.013 0.000 0.810 426 A HN 0.270 nan 8.150 nan 0.000 0.446 427 A N -1.621 121.222 122.820 0.038 0.000 2.119 427 A HA 0.093 4.412 4.320 -0.000 0.000 0.217 427 A C 2.068 179.641 177.584 -0.018 0.000 1.153 427 A CA 1.953 53.998 52.037 0.013 0.000 0.692 427 A CB -0.436 18.570 19.000 0.011 0.000 0.799 427 A HN 0.415 nan 8.150 nan 0.000 0.458 428 T N -2.821 111.709 114.554 -0.040 0.000 3.071 428 T HA 0.142 4.491 4.350 -0.000 0.000 0.239 428 T C 1.307 175.831 174.700 -0.294 0.000 0.997 428 T CA 0.757 62.710 62.100 -0.246 0.000 1.134 428 T CB -0.146 68.446 68.868 -0.459 0.000 0.928 428 T HN 0.521 nan 8.240 nan 0.000 0.453 429 Y N 1.067 121.402 120.300 0.060 0.000 2.442 429 Y HA 0.445 4.995 4.550 0.000 0.000 0.250 429 Y C 1.585 177.502 175.900 0.028 0.000 1.113 429 Y CA 0.041 58.161 58.100 0.033 0.000 1.273 429 Y CB 0.735 39.217 38.460 0.038 0.000 1.138 429 Y HN 0.434 nan 8.280 nan 0.000 0.522 430 G N 0.245 109.134 108.800 0.147 0.000 2.660 430 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.247 430 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.247 430 G C -0.375 174.575 174.900 0.084 0.000 1.328 430 G CA -0.506 44.649 45.100 0.091 0.000 0.884 430 G HN 0.094 nan 8.290 nan 0.000 0.531 431 S N 0.000 115.731 115.700 0.052 0.000 2.498 431 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 431 S CA 0.000 58.221 58.200 0.035 0.000 1.107 431 S CB 0.000 63.214 63.200 0.023 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517