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 2ciz_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPGSGIGYPY DNNTLPYVAP GPTDSRAPCP ALNALANHGY IPHDGRAISR DATA SEQUENCE ETLQNAFLNH MGIANSVIEL ALTNAFVVcE YVTGSDcGDS LVNLTLLAEP DATA SEQUENCE HAFEHDHSFS RKDYKQGVAN SNDFIDNRNF DAETFQTSLD VVAGKTHFDY DATA SEQUENCE ADMNEIRLQR ESLSNELDFP GWFTESKPIQ NVESGFIFAL VSDFNLPDND DATA SEQUENCE ENPLVRIDWW KYWFTNESFP YHLGWHPPSP AREIEFVTSA SSAVLAASVT DATA SEQUENCE STPSSLPSGA IGPGAEAVPL SFASTMTPFL LATNAPYYAQ DPTLGPND VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.648 176.600 0.080 0.000 1.382 1 E CA 0.000 56.456 56.400 0.093 0.000 0.976 1 E CB 0.000 29.742 29.700 0.070 0.000 0.812 2 P HA -0.148 nan 4.420 nan 0.000 0.216 2 P C 1.173 178.496 177.300 0.039 0.000 1.150 2 P CA 1.639 64.780 63.100 0.069 0.000 0.843 2 P CB 0.190 31.931 31.700 0.067 0.000 0.787 3 G N -0.184 108.632 108.800 0.026 0.000 2.744 3 G HA2 -0.124 3.847 3.960 0.017 0.000 0.211 3 G HA3 -0.124 3.847 3.960 0.017 0.000 0.211 3 G C 1.611 176.508 174.900 -0.005 0.000 1.143 3 G CA 0.764 45.866 45.100 0.003 0.000 0.788 3 G HN 0.424 nan 8.290 nan 0.000 0.534 4 S N -0.065 115.643 115.700 0.013 0.000 2.423 4 S HA 0.186 4.667 4.470 0.017 0.000 0.231 4 S C 2.186 176.781 174.600 -0.008 0.000 1.014 4 S CA 1.244 59.453 58.200 0.014 0.000 0.965 4 S CB -0.485 62.740 63.200 0.042 0.000 0.785 4 S HN 1.445 nan 8.310 nan 0.000 0.495 5 G N 1.199 109.987 108.800 -0.020 0.000 2.175 5 G HA2 -0.298 3.672 3.960 0.017 0.000 0.265 5 G HA3 -0.298 3.672 3.960 0.017 0.000 0.265 5 G C 0.615 175.513 174.900 -0.002 0.000 0.979 5 G CA 0.561 45.643 45.100 -0.030 0.000 0.663 5 G HN 0.596 nan 8.290 nan 0.000 0.533 6 I N 0.644 121.185 120.570 -0.049 0.000 2.264 6 I HA -0.086 4.094 4.170 0.017 0.000 0.248 6 I C 2.811 178.731 176.117 -0.328 0.000 1.111 6 I CA 1.732 62.951 61.300 -0.134 0.000 1.382 6 I CB -0.254 37.660 38.000 -0.143 0.000 1.060 6 I HN 0.297 nan 8.210 nan 0.000 0.418 7 G N -0.781 107.813 108.800 -0.342 0.000 2.650 7 G HA2 -0.188 3.782 3.960 0.017 0.000 0.214 7 G HA3 -0.188 3.782 3.960 0.017 0.000 0.214 7 G C 0.530 175.461 174.900 0.052 0.000 1.136 7 G CA -0.193 44.760 45.100 -0.245 0.000 0.789 7 G HN 0.290 nan 8.290 nan 0.000 0.536 8 Y N 2.267 122.522 120.300 -0.076 0.000 2.411 8 Y HA 0.326 4.886 4.550 0.017 0.000 0.333 8 Y C -1.288 174.527 175.900 -0.142 0.000 1.186 8 Y CA -1.854 56.185 58.100 -0.102 0.000 1.381 8 Y CB 1.571 39.977 38.460 -0.089 0.000 1.273 8 Y HN -0.041 nan 8.280 nan 0.000 0.546 9 P HA 0.062 nan 4.420 nan 0.000 0.263 9 P C -0.184 176.634 177.300 -0.804 0.000 1.448 9 P CA 0.522 62.895 63.100 -1.210 0.000 0.983 9 P CB 0.006 30.856 31.700 -1.416 0.000 1.481 10 Y N 0.119 120.198 120.300 -0.369 0.000 2.347 10 Y HA 0.137 4.696 4.550 0.015 0.000 0.294 10 Y C 0.997 176.756 175.900 -0.234 0.000 1.117 10 Y CA 0.701 58.602 58.100 -0.331 0.000 1.184 10 Y CB 0.084 38.309 38.460 -0.392 0.000 1.047 10 Y HN -0.019 nan 8.280 nan 0.000 0.546 11 D N -0.724 119.669 120.400 -0.011 0.000 2.473 11 D HA 0.176 4.826 4.640 0.017 0.000 0.253 11 D C -0.647 175.661 176.300 0.013 0.000 1.233 11 D CA -0.238 53.748 54.000 -0.023 0.000 0.908 11 D CB 0.376 41.208 40.800 0.054 0.000 1.170 11 D HN -0.068 nan 8.370 nan 0.000 0.558 12 N N 2.727 121.424 118.700 -0.005 0.000 2.268 12 N HA 0.065 4.815 4.740 0.017 0.000 0.204 12 N C -0.197 175.358 175.510 0.074 0.000 1.124 12 N CA 0.110 53.196 53.050 0.059 0.000 0.838 12 N CB 0.026 38.537 38.487 0.040 0.000 0.994 12 N HN 0.516 nan 8.380 nan 0.000 0.489 13 N N 0.443 119.203 118.700 0.100 0.000 2.651 13 N HA -0.001 4.750 4.740 0.017 0.000 0.277 13 N C -0.879 174.785 175.510 0.257 0.000 1.787 13 N CA -0.031 53.110 53.050 0.152 0.000 0.818 13 N CB 0.488 39.053 38.487 0.131 0.000 1.316 13 N HN -0.013 nan 8.380 nan 0.000 0.503 14 T N -0.879 113.805 114.554 0.217 0.000 2.882 14 T HA 0.538 4.898 4.350 0.017 0.000 0.287 14 T C 0.194 175.059 174.700 0.274 0.000 1.014 14 T CA -0.354 61.921 62.100 0.291 0.000 1.049 14 T CB 1.696 70.691 68.868 0.212 0.000 1.001 14 T HN 0.098 nan 8.240 nan 0.000 0.525 15 L N 1.912 123.322 121.223 0.312 0.000 2.354 15 L HA 0.558 4.908 4.340 0.017 0.000 0.264 15 L C -2.235 174.765 176.870 0.216 0.000 1.008 15 L CA -2.882 52.052 54.840 0.156 0.000 0.819 15 L CB 2.694 44.751 42.059 -0.002 0.000 1.339 15 L HN 0.536 nan 8.230 nan 0.000 0.420 16 P HA -0.018 nan 4.420 nan 0.000 0.274 16 P C -1.200 176.047 177.300 -0.088 0.000 1.237 16 P CA -0.203 62.970 63.100 0.122 0.000 0.793 16 P CB 0.492 32.232 31.700 0.067 0.000 0.977 17 Y N 1.893 121.996 120.300 -0.327 0.000 2.526 17 Y HA 0.279 4.839 4.550 0.017 0.000 0.330 17 Y C -0.681 175.058 175.900 -0.269 0.000 1.156 17 Y CA 0.370 58.127 58.100 -0.571 0.000 1.419 17 Y CB 0.343 38.595 38.460 -0.347 0.000 1.250 17 Y HN 0.053 nan 8.280 nan 0.000 0.540 18 V N 6.684 126.090 119.914 -0.846 0.000 2.525 18 V HA 0.579 4.709 4.120 0.017 0.000 0.299 18 V C -0.080 175.459 176.094 -0.925 0.000 1.034 18 V CA -0.968 60.935 62.300 -0.661 0.000 0.863 18 V CB 1.076 32.627 31.823 -0.454 0.000 0.999 18 V HN 1.066 nan 8.190 nan 0.000 0.423 19 A N 7.663 130.035 122.820 -0.746 0.000 2.483 19 A HA 0.540 4.870 4.320 0.017 0.000 0.238 19 A C -2.044 175.264 177.584 -0.461 0.000 1.070 19 A CA -0.706 50.979 52.037 -0.588 0.000 0.770 19 A CB -0.191 18.500 19.000 -0.514 0.000 1.008 19 A HN 0.630 nan 8.150 nan 0.000 0.497 20 P HA 0.233 nan 4.420 nan 0.000 0.271 20 P C 0.337 177.489 177.300 -0.247 0.000 1.216 20 P CA 0.297 63.270 63.100 -0.212 0.000 0.776 20 P CB 0.872 32.521 31.700 -0.085 0.000 0.881 21 G N 3.012 111.704 108.800 -0.180 0.000 2.547 21 G HA2 0.335 4.305 3.960 0.017 0.000 0.291 21 G HA3 0.335 4.305 3.960 0.017 0.000 0.291 21 G C -1.472 173.392 174.900 -0.061 0.000 1.211 21 G CA -1.405 43.608 45.100 -0.144 0.000 0.950 21 G HN 0.281 nan 8.290 nan 0.000 0.504 22 P HA -0.137 nan 4.420 nan 0.000 0.218 22 P C 1.654 178.954 177.300 -0.001 0.000 1.148 22 P CA 2.107 65.209 63.100 0.003 0.000 0.822 22 P CB 0.009 31.710 31.700 0.002 0.000 0.784 23 T N -5.126 109.418 114.554 -0.016 0.000 3.107 23 T HA 0.067 4.427 4.350 0.017 0.000 0.249 23 T C 0.549 175.241 174.700 -0.013 0.000 1.096 23 T CA -0.280 61.813 62.100 -0.013 0.000 1.012 23 T CB -0.540 68.317 68.868 -0.017 0.000 0.977 23 T HN -0.095 nan 8.240 nan 0.000 0.527 24 D N 2.568 122.956 120.400 -0.019 0.000 2.372 24 D HA 0.245 4.895 4.640 0.017 0.000 0.243 24 D C -0.231 176.067 176.300 -0.003 0.000 1.121 24 D CA 0.205 54.195 54.000 -0.016 0.000 0.898 24 D CB 1.510 42.291 40.800 -0.032 0.000 1.202 24 D HN 0.260 nan 8.370 nan 0.000 0.428 25 S N 1.957 117.656 115.700 -0.001 0.000 2.475 25 S HA 0.363 4.843 4.470 0.017 0.000 0.281 25 S C -0.244 174.358 174.600 0.004 0.000 1.198 25 S CA -0.709 57.492 58.200 0.002 0.000 1.063 25 S CB 0.388 63.587 63.200 -0.001 0.000 0.972 25 S HN 0.216 nan 8.310 nan 0.000 0.486 26 R N 1.832 122.339 120.500 0.011 0.000 2.919 26 R HA 0.760 5.110 4.340 0.017 0.000 0.260 26 R C -0.248 176.055 176.300 0.005 0.000 1.067 26 R CA -0.739 55.369 56.100 0.014 0.000 1.003 26 R CB 1.494 31.816 30.300 0.036 0.000 1.192 26 R HN 0.684 nan 8.270 nan 0.000 0.488 27 A N 1.528 124.346 122.820 -0.003 0.000 2.261 27 A HA 0.593 4.923 4.320 0.017 0.000 0.323 27 A C -1.929 175.630 177.584 -0.041 0.000 1.107 27 A CA -1.297 50.725 52.037 -0.025 0.000 0.883 27 A CB 0.626 19.613 19.000 -0.022 0.000 1.251 27 A HN 0.481 nan 8.150 nan 0.000 0.502 28 P HA 0.104 nan 4.420 nan 0.000 0.253 28 P C -0.019 177.212 177.300 -0.116 0.000 1.260 28 P CA 0.283 63.326 63.100 -0.095 0.000 0.800 28 P CB -0.358 31.277 31.700 -0.110 0.000 1.162 29 C N 3.066 122.315 119.300 -0.085 0.000 2.281 29 C HA 0.460 4.930 4.460 0.017 0.000 0.325 29 C C -1.002 173.950 174.990 -0.064 0.000 1.282 29 C CA -2.588 56.401 59.018 -0.048 0.000 1.640 29 C CB 1.099 28.859 27.740 0.033 0.000 2.288 29 C HN 0.114 nan 8.230 nan 0.000 0.507 30 P HA -0.057 nan 4.420 nan 0.000 0.221 30 P C 1.233 178.669 177.300 0.226 0.000 1.150 30 P CA 1.895 64.821 63.100 -0.289 0.000 0.800 30 P CB 0.153 31.162 31.700 -1.151 0.000 0.787 31 A N 0.510 123.607 122.820 0.462 0.000 1.854 31 A HA -0.077 4.253 4.320 0.017 0.000 0.214 31 A C 2.430 180.185 177.584 0.285 0.000 1.192 31 A CA 1.121 53.496 52.037 0.563 0.000 0.611 31 A CB -1.548 17.860 19.000 0.681 0.000 0.832 31 A HN 0.090 nan 8.150 nan 0.000 0.442 32 L N 0.006 121.376 121.223 0.245 0.000 2.079 32 L HA -0.234 4.116 4.340 0.017 0.000 0.210 32 L C 2.263 179.171 176.870 0.064 0.000 1.081 32 L CA 1.311 56.227 54.840 0.127 0.000 0.752 32 L CB -0.719 41.418 42.059 0.131 0.000 0.896 32 L HN 0.368 nan 8.230 nan 0.000 0.433 33 N N 0.282 119.020 118.700 0.064 0.000 2.142 33 N HA -0.133 4.618 4.740 0.017 0.000 0.186 33 N C 1.901 177.427 175.510 0.026 0.000 1.023 33 N CA 1.514 54.583 53.050 0.032 0.000 0.852 33 N CB -0.355 38.145 38.487 0.023 0.000 0.998 33 N HN 0.314 nan 8.380 nan 0.000 0.424 34 A N 1.198 124.046 122.820 0.047 0.000 1.902 34 A HA -0.050 4.280 4.320 0.017 0.000 0.217 34 A C 2.356 179.993 177.584 0.088 0.000 1.181 34 A CA 0.913 52.932 52.037 -0.030 0.000 0.623 34 A CB -0.752 18.067 19.000 -0.301 0.000 0.818 34 A HN 0.210 nan 8.150 nan 0.000 0.443 35 L N -0.813 120.486 121.223 0.127 0.000 2.017 35 L HA -0.217 4.134 4.340 0.017 0.000 0.208 35 L C 3.111 179.972 176.870 -0.014 0.000 1.073 35 L CA 1.198 56.128 54.840 0.151 0.000 0.745 35 L CB -0.586 41.468 42.059 -0.008 0.000 0.894 35 L HN 0.443 nan 8.230 nan 0.000 0.432 36 A N 0.082 122.866 122.820 -0.060 0.000 1.898 36 A HA -0.192 4.138 4.320 0.017 0.000 0.216 36 A C 2.004 179.436 177.584 -0.253 0.000 1.181 36 A CA 1.733 53.681 52.037 -0.148 0.000 0.620 36 A CB -0.556 18.399 19.000 -0.075 0.000 0.819 36 A HN 0.424 nan 8.150 nan 0.000 0.442 37 N N -0.178 118.410 118.700 -0.187 0.000 2.289 37 N HA -0.123 4.627 4.740 0.017 0.000 0.184 37 N C 1.191 176.425 175.510 -0.460 0.000 1.016 37 N CA 1.175 54.035 53.050 -0.317 0.000 0.872 37 N CB -0.471 37.816 38.487 -0.335 0.000 0.973 37 N HN 0.648 nan 8.380 nan 0.000 0.433 38 H N -1.014 117.808 119.070 -0.414 0.000 2.539 38 H HA 0.181 4.747 4.556 0.017 0.000 0.269 38 H C 1.034 175.825 175.328 -0.895 0.000 0.980 38 H CA 0.652 56.331 56.048 -0.616 0.000 1.152 38 H CB 0.445 29.669 29.762 -0.898 0.000 1.407 38 H HN 0.250 nan 8.280 nan 0.000 0.564 39 G N 1.115 109.317 108.800 -0.996 0.000 2.153 39 G HA2 -0.349 3.621 3.960 0.017 0.000 0.252 39 G HA3 -0.349 3.621 3.960 0.017 0.000 0.252 39 G C 0.451 175.125 174.900 -0.378 0.000 0.994 39 G CA 0.584 45.096 45.100 -0.981 0.000 0.698 39 G HN 0.394 nan 8.290 nan 0.000 0.521 40 Y N 0.051 120.227 120.300 -0.206 0.000 2.373 40 Y HA 0.276 4.837 4.550 0.018 0.000 0.293 40 Y C 2.129 177.981 175.900 -0.079 0.000 1.129 40 Y CA 0.557 58.571 58.100 -0.143 0.000 1.226 40 Y CB -0.179 38.177 38.460 -0.174 0.000 1.000 40 Y HN 0.697 nan 8.280 nan 0.000 0.549 41 I N -3.070 117.516 120.570 0.027 0.000 2.910 41 I HA 0.540 4.720 4.170 0.017 0.000 0.310 41 I C -2.780 173.290 176.117 -0.079 0.000 1.043 41 I CA -2.908 58.393 61.300 0.002 0.000 1.053 41 I CB 1.918 39.929 38.000 0.019 0.000 1.242 41 I HN -0.371 nan 8.210 nan 0.000 0.452 42 P HA 0.018 nan 4.420 nan 0.000 0.261 42 P C -0.220 177.037 177.300 -0.071 0.000 1.173 42 P CA 0.625 63.702 63.100 -0.039 0.000 0.760 42 P CB 0.191 31.897 31.700 0.011 0.000 0.783 43 H N 1.971 121.003 119.070 -0.063 0.000 2.390 43 H HA -0.206 4.361 4.556 0.020 0.000 0.298 43 H C 1.526 176.803 175.328 -0.085 0.000 1.106 43 H CA 2.172 58.159 56.048 -0.102 0.000 1.297 43 H CB -0.028 29.659 29.762 -0.126 0.000 1.375 43 H HN 0.554 nan 8.280 nan 0.000 0.509 44 D N -0.713 119.723 120.400 0.061 0.000 2.363 44 D HA 0.011 4.662 4.640 0.017 0.000 0.226 44 D C 1.536 177.840 176.300 0.006 0.000 1.020 44 D CA 0.766 54.778 54.000 0.019 0.000 0.892 44 D CB -0.493 40.315 40.800 0.012 0.000 0.900 44 D HN 0.424 nan 8.370 nan 0.000 0.531 45 G N 0.338 109.140 108.800 0.002 0.000 2.198 45 G HA2 -0.329 3.641 3.960 0.017 0.000 0.260 45 G HA3 -0.329 3.641 3.960 0.017 0.000 0.260 45 G C 0.016 174.919 174.900 0.005 0.000 1.025 45 G CA 0.185 45.285 45.100 -0.000 0.000 0.769 45 G HN 0.507 nan 8.290 nan 0.000 0.507 46 R N -0.899 119.608 120.500 0.012 0.000 2.750 46 R HA 0.686 5.036 4.340 0.017 0.000 0.281 46 R C 0.594 176.912 176.300 0.031 0.000 0.972 46 R CA -0.433 55.676 56.100 0.016 0.000 0.912 46 R CB 1.810 32.118 30.300 0.014 0.000 1.187 46 R HN 1.560 nan 8.270 nan 0.000 0.464 47 A N 2.287 125.130 122.820 0.038 0.000 2.546 47 A HA -0.154 4.176 4.320 0.017 0.000 0.295 47 A C -0.314 177.320 177.584 0.083 0.000 1.455 47 A CA 0.399 52.473 52.037 0.061 0.000 0.730 47 A CB -1.873 17.159 19.000 0.052 0.000 1.111 47 A HN 0.602 nan 8.150 nan 0.000 0.411 48 I N 1.662 122.295 120.570 0.104 0.000 2.362 48 I HA 0.456 4.636 4.170 0.017 0.000 0.289 48 I C 0.914 177.167 176.117 0.226 0.000 0.994 48 I CA -0.031 61.347 61.300 0.131 0.000 1.158 48 I CB 1.996 40.058 38.000 0.104 0.000 1.315 48 I HN 0.677 nan 8.210 nan 0.000 0.451 49 S N 5.405 121.224 115.700 0.200 0.000 2.652 49 S HA 0.411 4.891 4.470 0.017 0.000 0.270 49 S C 1.031 175.773 174.600 0.237 0.000 1.243 49 S CA -0.663 57.668 58.200 0.218 0.000 0.999 49 S CB 1.735 65.010 63.200 0.126 0.000 0.973 49 S HN 0.645 nan 8.310 nan 0.000 0.544 50 R N 0.709 121.323 120.500 0.191 0.000 2.083 50 R HA -0.127 4.223 4.340 0.017 0.000 0.237 50 R C 2.353 178.741 176.300 0.148 0.000 1.137 50 R CA 1.925 58.132 56.100 0.178 0.000 0.951 50 R CB -0.449 29.881 30.300 0.051 0.000 0.851 50 R HN 0.915 nan 8.270 nan 0.000 0.434 51 E N -0.078 120.183 120.200 0.102 0.000 2.150 51 E HA -0.147 4.213 4.350 0.017 0.000 0.193 51 E C 1.375 178.040 176.600 0.108 0.000 0.985 51 E CA 1.449 57.903 56.400 0.090 0.000 0.814 51 E CB 0.167 29.903 29.700 0.061 0.000 0.752 51 E HN 0.247 nan 8.360 nan 0.000 0.466 52 T N 1.258 115.884 114.554 0.120 0.000 2.684 52 T HA -0.157 4.204 4.350 0.017 0.000 0.267 52 T C 1.845 176.632 174.700 0.146 0.000 1.036 52 T CA 1.198 63.371 62.100 0.121 0.000 1.148 52 T CB -0.174 68.763 68.868 0.116 0.000 0.863 52 T HN 0.144 nan 8.240 nan 0.000 0.436 53 L N 0.580 121.918 121.223 0.193 0.000 2.017 53 L HA -0.144 4.207 4.340 0.017 0.000 0.208 53 L C 2.961 180.031 176.870 0.333 0.000 1.073 53 L CA 1.450 56.455 54.840 0.275 0.000 0.745 53 L CB -0.559 41.707 42.059 0.345 0.000 0.894 53 L HN 0.284 nan 8.230 nan 0.000 0.432 54 Q N -0.074 119.873 119.800 0.245 0.000 2.061 54 Q HA -0.243 4.107 4.340 0.017 0.000 0.204 54 Q C 1.990 178.085 176.000 0.159 0.000 0.984 54 Q CA 2.171 58.094 55.803 0.199 0.000 0.846 54 Q CB -0.316 28.496 28.738 0.123 0.000 0.902 54 Q HN 0.604 nan 8.270 nan 0.000 0.421 55 N N 0.087 118.853 118.700 0.110 0.000 2.188 55 N HA -0.125 4.625 4.740 0.017 0.000 0.184 55 N C 1.785 177.315 175.510 0.033 0.000 1.018 55 N CA 0.684 53.764 53.050 0.051 0.000 0.858 55 N CB -0.115 38.400 38.487 0.046 0.000 0.989 55 N HN 0.199 nan 8.380 nan 0.000 0.426 56 A N 0.952 123.822 122.820 0.084 0.000 1.877 56 A HA -0.132 4.198 4.320 0.017 0.000 0.216 56 A C 1.804 179.362 177.584 -0.043 0.000 1.186 56 A CA 1.232 53.304 52.037 0.060 0.000 0.620 56 A CB -0.887 18.127 19.000 0.023 0.000 0.822 56 A HN 0.192 nan 8.150 nan 0.000 0.443 57 F N -0.774 119.201 119.950 0.042 0.000 2.134 57 F HA -0.117 4.414 4.527 0.006 0.000 0.299 57 F C 2.087 177.843 175.800 -0.074 0.000 1.097 57 F CA 1.525 59.523 58.000 -0.003 0.000 1.264 57 F CB -0.508 38.495 39.000 0.005 0.000 1.001 57 F HN 0.264 nan 8.300 nan 0.000 0.479 58 L N 0.379 121.659 121.223 0.096 0.000 2.005 58 L HA -0.174 4.176 4.340 0.017 0.000 0.207 58 L C 1.645 178.425 176.870 -0.149 0.000 1.072 58 L CA 2.105 56.933 54.840 -0.020 0.000 0.744 58 L CB -0.959 41.088 42.059 -0.020 0.000 0.895 58 L HN 0.075 nan 8.230 nan 0.000 0.433 59 N N -2.300 116.236 118.700 -0.273 0.000 2.416 59 N HA -0.052 4.699 4.740 0.017 0.000 0.177 59 N C 0.967 176.027 175.510 -0.750 0.000 1.036 59 N CA 0.646 53.388 53.050 -0.513 0.000 0.901 59 N CB 0.079 38.177 38.487 -0.647 0.000 0.976 59 N HN 0.436 nan 8.380 nan 0.000 0.444 60 H N -1.120 117.753 119.070 -0.328 0.000 3.046 60 H HA 0.303 4.868 4.556 0.016 0.000 0.262 60 H C 0.848 175.930 175.328 -0.410 0.000 1.044 60 H CA 0.387 56.153 56.048 -0.470 0.000 1.209 60 H CB 0.748 29.958 29.762 -0.921 0.000 1.507 60 H HN 0.189 nan 8.280 nan 0.000 0.507 61 M N -0.822 118.666 119.600 -0.187 0.000 2.289 61 M HA 0.249 4.739 4.480 0.017 0.000 0.335 61 M C 0.797 177.050 176.300 -0.078 0.000 0.961 61 M CA 0.253 55.481 55.300 -0.120 0.000 1.018 61 M CB 1.969 34.567 32.600 -0.004 0.000 1.678 61 M HN 0.228 nan 8.290 nan 0.000 0.589 62 G N 2.358 111.084 108.800 -0.123 0.000 2.273 62 G HA2 -0.205 3.765 3.960 0.017 0.000 0.280 62 G HA3 -0.205 3.765 3.960 0.017 0.000 0.280 62 G C -0.326 174.531 174.900 -0.072 0.000 1.047 62 G CA -0.071 44.950 45.100 -0.131 0.000 0.869 62 G HN 0.393 nan 8.290 nan 0.000 0.502 63 I N 0.715 121.281 120.570 -0.007 0.000 2.411 63 I HA 0.619 4.799 4.170 0.017 0.000 0.284 63 I C 0.841 176.961 176.117 0.006 0.000 1.012 63 I CA -1.022 60.278 61.300 0.000 0.000 1.119 63 I CB 0.866 38.883 38.000 0.029 0.000 1.261 63 I HN 0.338 nan 8.210 nan 0.000 0.448 64 A N 5.561 128.374 122.820 -0.012 0.000 2.346 64 A HA 0.278 4.608 4.320 0.017 0.000 0.252 64 A C 1.179 178.768 177.584 0.008 0.000 1.089 64 A CA -0.177 51.860 52.037 0.001 0.000 0.797 64 A CB 0.220 19.221 19.000 0.003 0.000 1.047 64 A HN 0.720 nan 8.150 nan 0.000 0.494 65 N N 0.718 119.431 118.700 0.021 0.000 2.149 65 N HA -0.177 4.573 4.740 0.017 0.000 0.188 65 N C 2.051 177.580 175.510 0.031 0.000 1.019 65 N CA 1.907 54.975 53.050 0.031 0.000 0.857 65 N CB -0.545 37.964 38.487 0.036 0.000 0.997 65 N HN 0.777 nan 8.380 nan 0.000 0.426 66 S N -0.085 115.637 115.700 0.037 0.000 2.400 66 S HA -0.081 4.399 4.470 0.017 0.000 0.232 66 S C 2.072 176.716 174.600 0.074 0.000 1.025 66 S CA 0.982 59.214 58.200 0.053 0.000 0.993 66 S CB -0.750 62.484 63.200 0.056 0.000 0.808 66 S HN 0.070 nan 8.310 nan 0.000 0.478 67 V N 2.652 122.604 119.914 0.064 0.000 2.490 67 V HA -0.044 4.086 4.120 0.017 0.000 0.250 67 V C 2.124 178.286 176.094 0.113 0.000 1.061 67 V CA 1.820 64.185 62.300 0.109 0.000 1.064 67 V CB -0.894 30.949 31.823 0.034 0.000 0.670 67 V HN 0.840 nan 8.190 nan 0.000 0.461 68 I N -2.874 117.702 120.570 0.011 0.000 3.974 68 I HA 0.286 4.466 4.170 0.017 0.000 0.334 68 I C 1.779 177.953 176.117 0.095 0.000 1.437 68 I CA 0.326 61.635 61.300 0.015 0.000 1.113 68 I CB -0.126 37.767 38.000 -0.178 0.000 1.063 68 I HN 0.178 nan 8.210 nan 0.000 0.400 69 E N 1.592 121.848 120.200 0.093 0.000 2.031 69 E HA -0.246 4.114 4.350 0.017 0.000 0.193 69 E C 2.064 178.726 176.600 0.103 0.000 0.994 69 E CA 1.654 58.108 56.400 0.090 0.000 0.800 69 E CB 0.037 29.777 29.700 0.068 0.000 0.752 69 E HN 0.556 nan 8.360 nan 0.000 0.447 70 L N 0.751 122.034 121.223 0.101 0.000 2.093 70 L HA -0.008 4.342 4.340 0.017 0.000 0.208 70 L C 2.215 179.145 176.870 0.099 0.000 1.085 70 L CA 2.009 56.894 54.840 0.076 0.000 0.755 70 L CB -0.692 41.397 42.059 0.049 0.000 0.904 70 L HN 0.184 nan 8.230 nan 0.000 0.435 71 A N -0.436 122.504 122.820 0.201 0.000 1.908 71 A HA -0.189 4.141 4.320 0.017 0.000 0.218 71 A C 2.269 180.070 177.584 0.360 0.000 1.181 71 A CA 2.056 54.310 52.037 0.361 0.000 0.627 71 A CB -0.863 18.414 19.000 0.463 0.000 0.818 71 A HN 0.500 nan 8.150 nan 0.000 0.445 72 L N -0.936 120.458 121.223 0.285 0.000 2.017 72 L HA -0.167 4.183 4.340 0.017 0.000 0.208 72 L C 2.847 179.941 176.870 0.374 0.000 1.073 72 L CA 1.798 56.849 54.840 0.352 0.000 0.745 72 L CB -0.994 41.232 42.059 0.278 0.000 0.894 72 L HN 0.352 nan 8.230 nan 0.000 0.432 73 T N -0.333 114.355 114.554 0.223 0.000 2.665 73 T HA -0.183 4.177 4.350 0.017 0.000 0.268 73 T C 1.718 176.526 174.700 0.179 0.000 1.035 73 T CA 1.679 63.884 62.100 0.176 0.000 1.151 73 T CB -0.289 68.629 68.868 0.082 0.000 0.862 73 T HN 0.284 nan 8.240 nan 0.000 0.438 74 N N 1.211 119.953 118.700 0.069 0.000 2.188 74 N HA 0.025 4.775 4.740 0.017 0.000 0.184 74 N C 2.116 177.730 175.510 0.174 0.000 1.018 74 N CA 1.224 54.230 53.050 -0.073 0.000 0.858 74 N CB -0.631 37.438 38.487 -0.698 0.000 0.989 74 N HN 0.433 nan 8.380 nan 0.000 0.426 75 A N 0.285 123.326 122.820 0.368 0.000 1.908 75 A HA -0.109 4.221 4.320 0.017 0.000 0.218 75 A C 1.998 179.623 177.584 0.068 0.000 1.181 75 A CA 1.149 53.372 52.037 0.311 0.000 0.627 75 A CB -0.906 18.219 19.000 0.207 0.000 0.818 75 A HN 0.224 nan 8.150 nan 0.000 0.445 76 F N -0.604 119.457 119.950 0.185 0.000 2.259 76 F HA -0.067 4.477 4.527 0.028 0.000 0.298 76 F C 2.385 178.273 175.800 0.146 0.000 1.088 76 F CA 1.123 59.209 58.000 0.143 0.000 1.358 76 F CB -0.306 38.762 39.000 0.113 0.000 1.040 76 F HN 0.015 nan 8.300 nan 0.000 0.505 77 V N -0.627 119.464 119.914 0.295 0.000 2.287 77 V HA -0.275 3.855 4.120 0.017 0.000 0.248 77 V C 2.246 178.515 176.094 0.292 0.000 1.053 77 V CA 1.663 64.126 62.300 0.272 0.000 1.027 77 V CB -0.678 31.293 31.823 0.247 0.000 0.646 77 V HN 0.147 nan 8.190 nan 0.000 0.447 78 V N -1.197 118.880 119.914 0.271 0.000 2.427 78 V HA -0.277 3.854 4.120 0.017 0.000 0.248 78 V C 2.521 178.673 176.094 0.096 0.000 1.051 78 V CA 1.956 64.381 62.300 0.207 0.000 1.048 78 V CB -0.645 31.327 31.823 0.248 0.000 0.666 78 V HN 0.770 nan 8.190 nan 0.000 0.456 79 c N 0.252 118.886 118.600 0.057 0.000 2.413 79 c HA -0.216 4.364 4.570 0.017 0.000 0.276 79 c C 2.830 176.948 174.090 0.047 0.000 1.248 79 c CA 1.981 58.309 56.329 -0.001 0.000 1.742 79 c CB -0.729 41.732 42.510 -0.082 0.000 2.017 79 c HN 0.740 nan 8.230 nan 0.000 0.481 80 E N -1.436 118.836 120.200 0.120 0.000 2.072 80 E HA -0.248 4.113 4.350 0.017 0.000 0.191 80 E C 2.074 178.752 176.600 0.130 0.000 0.985 80 E CA 1.511 57.988 56.400 0.129 0.000 0.801 80 E CB -0.543 29.256 29.700 0.165 0.000 0.750 80 E HN 0.783 nan 8.360 nan 0.000 0.452 81 Y N 0.981 121.275 120.300 -0.011 0.000 2.097 81 Y HA -0.231 4.329 4.550 0.015 0.000 0.282 81 Y C 2.002 177.828 175.900 -0.123 0.000 1.152 81 Y CA 1.601 59.640 58.100 -0.101 0.000 1.136 81 Y CB -0.700 37.558 38.460 -0.336 0.000 0.975 81 Y HN -0.062 nan 8.280 nan 0.000 0.498 82 V N 0.151 119.867 119.914 -0.329 0.000 2.358 82 V HA -0.270 3.860 4.120 0.017 0.000 0.246 82 V C 2.494 178.459 176.094 -0.214 0.000 1.047 82 V CA 2.614 64.670 62.300 -0.407 0.000 1.035 82 V CB -1.268 30.387 31.823 -0.280 0.000 0.658 82 V HN 0.688 nan 8.190 nan 0.000 0.452 83 T N -3.087 111.404 114.554 -0.105 0.000 3.054 83 T HA 0.261 4.622 4.350 0.017 0.000 0.259 83 T C 1.609 176.291 174.700 -0.031 0.000 1.092 83 T CA 1.053 63.119 62.100 -0.056 0.000 1.121 83 T CB 0.586 69.442 68.868 -0.020 0.000 0.912 83 T HN 0.980 nan 8.240 nan 0.000 0.489 84 G N 1.149 109.941 108.800 -0.013 0.000 2.157 84 G HA2 -0.191 3.779 3.960 0.017 0.000 0.248 84 G HA3 -0.191 3.779 3.960 0.017 0.000 0.248 84 G C 0.174 175.096 174.900 0.036 0.000 0.979 84 G CA 0.318 45.428 45.100 0.016 0.000 0.650 84 G HN 1.527 nan 8.290 nan 0.000 0.529 85 S N -0.895 114.831 115.700 0.043 0.000 2.564 85 S HA 0.594 5.074 4.470 0.017 0.000 0.274 85 S C -0.918 173.728 174.600 0.076 0.000 1.124 85 S CA -0.391 57.842 58.200 0.055 0.000 0.869 85 S CB 2.560 65.786 63.200 0.043 0.000 1.105 85 S HN 0.294 nan 8.310 nan 0.000 0.472 86 D N 0.187 120.637 120.400 0.083 0.000 2.487 86 D HA 0.044 4.695 4.640 0.017 0.000 0.243 86 D C 0.333 176.707 176.300 0.124 0.000 1.154 86 D CA -0.008 54.056 54.000 0.107 0.000 0.876 86 D CB 0.623 41.474 40.800 0.085 0.000 1.161 86 D HN 0.632 nan 8.370 nan 0.000 0.478 87 c N 3.675 122.388 118.600 0.189 0.000 2.673 87 c HA 0.352 4.932 4.570 0.017 0.000 0.274 87 c C 1.585 175.836 174.090 0.269 0.000 1.276 87 c CA 0.015 56.480 56.329 0.227 0.000 1.701 87 c CB -1.255 41.408 42.510 0.255 0.000 1.836 87 c HN 0.888 nan 8.230 nan 0.000 0.596 88 G N 1.892 110.794 108.800 0.170 0.000 2.622 88 G HA2 -0.354 3.617 3.960 0.017 0.000 0.307 88 G HA3 -0.354 3.617 3.960 0.017 0.000 0.307 88 G C 0.169 175.052 174.900 -0.028 0.000 1.226 88 G CA 1.046 46.188 45.100 0.070 0.000 0.997 88 G HN 0.447 nan 8.290 nan 0.000 0.551 89 D N 0.138 120.537 120.400 -0.001 0.000 2.788 89 D HA 0.494 5.144 4.640 0.017 0.000 0.289 89 D C -0.150 176.258 176.300 0.180 0.000 1.340 89 D CA 0.797 54.756 54.000 -0.068 0.000 0.831 89 D CB -0.051 40.691 40.800 -0.096 0.000 1.103 89 D HN 0.478 nan 8.370 nan 0.000 0.476 90 S N 0.935 116.837 115.700 0.337 0.000 2.524 90 S HA 0.299 4.779 4.470 0.017 0.000 0.227 90 S C -0.857 173.915 174.600 0.287 0.000 1.304 90 S CA -0.707 57.660 58.200 0.278 0.000 1.185 90 S CB -0.060 63.233 63.200 0.155 0.000 1.104 90 S HN 0.262 nan 8.310 nan 0.000 0.475 91 L N 6.271 127.638 121.223 0.241 0.000 2.584 91 L HA 0.200 4.551 4.340 0.017 0.000 0.272 91 L C 1.327 178.181 176.870 -0.026 0.000 1.195 91 L CA 0.721 55.491 54.840 -0.117 0.000 0.920 91 L CB 0.584 42.453 42.059 -0.317 0.000 1.173 91 L HN 0.525 nan 8.230 nan 0.000 0.489 92 V N 3.904 123.796 119.914 -0.037 0.000 2.261 92 V HA -0.153 3.978 4.120 0.017 0.000 0.246 92 V C 0.680 176.767 176.094 -0.012 0.000 1.047 92 V CA 2.027 64.325 62.300 -0.004 0.000 1.015 92 V CB -0.884 30.935 31.823 -0.007 0.000 0.642 92 V HN 1.089 nan 8.190 nan 0.000 0.446 93 N N -2.854 115.826 118.700 -0.034 0.000 3.020 93 N HA 0.262 5.012 4.740 0.017 0.000 0.248 93 N C -0.261 175.227 175.510 -0.037 0.000 1.480 93 N CA -0.735 52.301 53.050 -0.024 0.000 0.874 93 N CB 0.827 39.305 38.487 -0.015 0.000 1.433 93 N HN -0.086 nan 8.380 nan 0.000 0.530 94 L N -0.555 120.655 121.223 -0.023 0.000 2.270 94 L HA 0.071 4.421 4.340 0.017 0.000 0.210 94 L C 1.468 178.320 176.870 -0.030 0.000 1.104 94 L CA 1.051 55.877 54.840 -0.024 0.000 0.804 94 L CB -0.441 41.613 42.059 -0.009 0.000 0.937 94 L HN 0.691 nan 8.230 nan 0.000 0.450 95 T N 1.214 115.754 114.554 -0.023 0.000 2.821 95 T HA -0.124 4.236 4.350 0.017 0.000 0.267 95 T C 1.795 176.475 174.700 -0.032 0.000 1.046 95 T CA 1.371 63.459 62.100 -0.020 0.000 1.139 95 T CB -0.237 68.626 68.868 -0.008 0.000 0.871 95 T HN 0.302 nan 8.240 nan 0.000 0.454 96 L N 0.190 121.388 121.223 -0.042 0.000 2.353 96 L HA 0.118 4.468 4.340 0.017 0.000 0.220 96 L C 1.890 178.732 176.870 -0.047 0.000 1.133 96 L CA 1.427 56.232 54.840 -0.057 0.000 0.798 96 L CB -1.270 40.748 42.059 -0.068 0.000 0.922 96 L HN 0.157 nan 8.230 nan 0.000 0.445 97 L N 0.365 121.563 121.223 -0.043 0.000 2.456 97 L HA -0.022 4.329 4.340 0.017 0.000 0.224 97 L C 2.437 179.277 176.870 -0.049 0.000 1.148 97 L CA 0.715 55.530 54.840 -0.042 0.000 0.825 97 L CB -0.667 41.329 42.059 -0.105 0.000 0.937 97 L HN 0.489 nan 8.230 nan 0.000 0.450 98 A N -0.455 122.334 122.820 -0.050 0.000 2.302 98 A HA 0.007 4.337 4.320 0.017 0.000 0.219 98 A C 0.750 178.293 177.584 -0.068 0.000 1.243 98 A CA -0.218 51.788 52.037 -0.051 0.000 0.856 98 A CB -0.435 18.545 19.000 -0.032 0.000 0.893 98 A HN 0.249 nan 8.150 nan 0.000 0.491 99 E N 2.361 122.522 120.200 -0.064 0.000 2.493 99 E HA 0.125 4.485 4.350 0.017 0.000 0.255 99 E C -2.263 174.289 176.600 -0.079 0.000 0.999 99 E CA -1.844 54.497 56.400 -0.099 0.000 0.934 99 E CB 0.454 30.101 29.700 -0.088 0.000 0.940 99 E HN 0.303 nan 8.360 nan 0.000 0.473 100 P HA 0.045 nan 4.420 nan 0.000 0.274 100 P C -0.711 176.586 177.300 -0.006 0.000 1.246 100 P CA -0.058 62.882 63.100 -0.267 0.000 0.795 100 P CB 0.269 31.489 31.700 -0.801 0.000 1.006 101 H N -1.268 117.793 119.070 -0.016 0.000 2.626 101 H HA -0.181 4.385 4.556 0.016 0.000 0.317 101 H C 0.560 176.005 175.328 0.195 0.000 1.140 101 H CA 0.141 56.186 56.048 -0.006 0.000 1.134 101 H CB -1.384 28.294 29.762 -0.141 0.000 1.486 101 H HN 0.628 nan 8.280 nan 0.000 0.417 102 A N 0.011 123.046 122.820 0.358 0.000 2.254 102 A HA 0.347 4.677 4.320 0.017 0.000 0.186 102 A C 0.708 178.558 177.584 0.444 0.000 1.413 102 A CA 0.047 52.385 52.037 0.501 0.000 1.742 102 A CB -0.368 18.878 19.000 0.409 0.000 2.016 102 A HN 0.125 nan 8.150 nan 0.000 0.796 103 F N 1.214 121.314 119.950 0.249 0.000 2.188 103 F HA 0.258 4.793 4.527 0.013 0.000 0.289 103 F C 1.044 176.950 175.800 0.176 0.000 1.082 103 F CA 0.987 59.108 58.000 0.202 0.000 1.282 103 F CB -0.186 38.919 39.000 0.175 0.000 1.060 103 F HN 0.371 nan 8.300 nan 0.000 0.493 104 E N 1.297 121.658 120.200 0.269 0.000 2.442 104 E HA 0.020 4.381 4.350 0.017 0.000 0.262 104 E C -1.122 175.536 176.600 0.097 0.000 1.004 104 E CA 0.370 56.792 56.400 0.037 0.000 0.928 104 E CB 0.285 29.963 29.700 -0.036 0.000 0.937 104 E HN 0.577 nan 8.360 nan 0.000 0.446 105 H N 0.259 119.356 119.070 0.046 0.000 2.990 105 H HA 0.427 4.992 4.556 0.016 0.000 0.343 105 H C -0.787 174.486 175.328 -0.092 0.000 1.270 105 H CA -1.009 55.028 56.048 -0.018 0.000 1.118 105 H CB 0.454 30.160 29.762 -0.094 0.000 1.861 105 H HN 0.192 nan 8.280 nan 0.000 0.544 106 D N 0.067 120.481 120.400 0.023 0.000 2.384 106 D HA 0.083 4.733 4.640 0.017 0.000 0.244 106 D C 0.195 176.358 176.300 -0.227 0.000 1.251 106 D CA 0.988 54.991 54.000 0.005 0.000 0.961 106 D CB -0.100 40.706 40.800 0.009 0.000 1.116 106 D HN 1.052 nan 8.370 nan 0.000 0.484 107 H N -2.715 116.504 119.070 0.247 0.000 2.626 107 H HA -0.156 4.410 4.556 0.017 0.000 0.317 107 H C -0.590 174.791 175.328 0.087 0.000 1.140 107 H CA 0.538 56.712 56.048 0.209 0.000 1.134 107 H CB -2.351 27.577 29.762 0.277 0.000 1.486 107 H HN 0.022 nan 8.280 nan 0.000 0.417 108 S N -0.482 115.228 115.700 0.015 0.000 2.584 108 S HA 0.176 4.657 4.470 0.017 0.000 0.270 108 S C 1.141 175.774 174.600 0.054 0.000 1.346 108 S CA -0.104 58.080 58.200 -0.027 0.000 1.018 108 S CB 0.208 63.372 63.200 -0.059 0.000 0.899 108 S HN 0.371 nan 8.310 nan 0.000 0.542 109 F N 1.116 121.263 119.950 0.328 0.000 2.259 109 F HA 0.000 4.537 4.527 0.016 0.000 0.298 109 F C 2.260 178.267 175.800 0.344 0.000 1.088 109 F CA 0.964 59.203 58.000 0.399 0.000 1.358 109 F CB -0.147 39.222 39.000 0.615 0.000 1.040 109 F HN 0.626 nan 8.300 nan 0.000 0.505 110 S N -2.223 113.705 115.700 0.380 0.000 2.911 110 S HA 0.424 4.904 4.470 0.017 0.000 0.261 110 S C 0.120 174.642 174.600 -0.131 0.000 1.021 110 S CA -0.631 57.646 58.200 0.129 0.000 1.222 110 S CB 0.287 63.544 63.200 0.094 0.000 1.171 110 S HN -0.010 nan 8.310 nan 0.000 0.669 111 R N 1.694 122.162 120.500 -0.054 0.000 2.750 111 R HA 0.610 4.960 4.340 0.017 0.000 0.281 111 R C -0.783 175.489 176.300 -0.047 0.000 0.972 111 R CA -0.565 55.473 56.100 -0.104 0.000 0.912 111 R CB 1.073 31.317 30.300 -0.093 0.000 1.187 111 R HN 0.175 nan 8.270 nan 0.000 0.464 112 K N 0.912 121.277 120.400 -0.057 0.000 2.180 112 K HA 0.168 4.498 4.320 0.017 0.000 0.251 112 K C -0.445 176.172 176.600 0.029 0.000 1.014 112 K CA -0.426 55.855 56.287 -0.011 0.000 0.913 112 K CB 0.447 32.925 32.500 -0.037 0.000 1.008 112 K HN 0.441 nan 8.250 nan 0.000 0.490 113 D N 0.432 120.881 120.400 0.082 0.000 2.313 113 D HA -0.016 4.634 4.640 0.017 0.000 0.247 113 D C 0.740 177.070 176.300 0.050 0.000 1.094 113 D CA -0.074 54.015 54.000 0.149 0.000 0.925 113 D CB 0.442 41.429 40.800 0.311 0.000 1.188 113 D HN 0.440 nan 8.370 nan 0.000 0.430 114 Y N 1.247 121.462 120.300 -0.141 0.000 2.193 114 Y HA -0.199 4.362 4.550 0.018 0.000 0.285 114 Y C 1.141 176.708 175.900 -0.555 0.000 1.166 114 Y CA 1.681 59.558 58.100 -0.373 0.000 1.181 114 Y CB 0.305 38.443 38.460 -0.537 0.000 0.976 114 Y HN 0.210 nan 8.280 nan 0.000 0.520 115 K N 0.719 120.658 120.400 -0.769 0.000 2.726 115 K HA 0.086 4.416 4.320 0.017 0.000 0.209 115 K C -0.321 176.175 176.600 -0.173 0.000 1.082 115 K CA -0.208 55.726 56.287 -0.589 0.000 1.081 115 K CB 0.497 32.541 32.500 -0.759 0.000 0.830 115 K HN 0.245 nan 8.250 nan 0.000 0.470 116 Q N 0.557 120.305 119.800 -0.088 0.000 2.286 116 Q HA 0.077 4.427 4.340 0.017 0.000 0.267 116 Q C 0.702 176.706 176.000 0.006 0.000 1.028 116 Q CA 0.776 56.596 55.803 0.029 0.000 0.901 116 Q CB 0.399 29.162 28.738 0.041 0.000 1.183 116 Q HN 0.590 nan 8.270 nan 0.000 0.392 117 G N 2.630 111.461 108.800 0.051 0.000 2.168 117 G HA2 -0.277 3.693 3.960 0.017 0.000 0.257 117 G HA3 -0.277 3.693 3.960 0.017 0.000 0.257 117 G C 0.070 174.988 174.900 0.030 0.000 0.997 117 G CA 0.337 45.458 45.100 0.036 0.000 0.708 117 G HN 0.944 nan 8.290 nan 0.000 0.520 118 V N -2.725 117.219 119.914 0.049 0.000 2.649 118 V HA 0.821 4.951 4.120 0.017 0.000 0.292 118 V C 1.343 177.517 176.094 0.134 0.000 1.055 118 V CA 0.442 62.749 62.300 0.013 0.000 1.023 118 V CB 1.249 33.003 31.823 -0.115 0.000 0.992 118 V HN 1.226 nan 8.190 nan 0.000 0.480 119 A N 3.583 126.440 122.820 0.062 0.000 2.016 119 A HA 0.214 4.544 4.320 0.017 0.000 0.217 119 A C 0.922 178.611 177.584 0.176 0.000 1.162 119 A CA 0.761 52.865 52.037 0.112 0.000 0.662 119 A CB -0.723 18.301 19.000 0.039 0.000 0.812 119 A HN 0.938 nan 8.150 nan 0.000 0.450 120 N N -2.242 116.465 118.700 0.010 0.000 2.240 120 N HA 0.363 5.113 4.740 0.017 0.000 0.302 120 N C 0.501 175.679 175.510 -0.554 0.000 1.106 120 N CA 0.067 53.049 53.050 -0.113 0.000 0.778 120 N CB 1.845 40.281 38.487 -0.085 0.000 1.431 120 N HN -0.024 nan 8.380 nan 0.000 0.479 121 S N 0.853 116.100 115.700 -0.754 0.000 2.383 121 S HA -0.112 4.369 4.470 0.017 0.000 0.229 121 S C 0.953 175.248 174.600 -0.507 0.000 1.030 121 S CA 1.643 59.186 58.200 -1.094 0.000 1.002 121 S CB -0.346 62.594 63.200 -0.432 0.000 0.829 121 S HN 0.559 nan 8.310 nan 0.000 0.467 122 N N 0.533 119.073 118.700 -0.266 0.000 2.467 122 N HA 0.062 4.812 4.740 0.017 0.000 0.184 122 N C -0.529 174.925 175.510 -0.093 0.000 1.106 122 N CA 0.110 53.097 53.050 -0.105 0.000 0.892 122 N CB 0.181 38.644 38.487 -0.041 0.000 0.969 122 N HN 0.352 nan 8.380 nan 0.000 0.454 123 D N 0.303 120.569 120.400 -0.224 0.000 2.362 123 D HA 0.175 4.825 4.640 0.017 0.000 0.242 123 D C -0.259 175.865 176.300 -0.293 0.000 1.132 123 D CA 0.270 54.109 54.000 -0.269 0.000 0.907 123 D CB 0.656 41.288 40.800 -0.280 0.000 1.195 123 D HN 0.093 nan 8.370 nan 0.000 0.429 124 F N -0.963 118.682 119.950 -0.508 0.000 2.662 124 F HA 0.649 5.187 4.527 0.017 0.000 0.312 124 F C -0.927 174.539 175.800 -0.558 0.000 1.113 124 F CA -1.210 56.299 58.000 -0.819 0.000 0.951 124 F CB 0.839 38.911 39.000 -1.547 0.000 1.344 124 F HN 0.280 nan 8.300 nan 0.000 0.462 125 I N -1.764 118.574 120.570 -0.386 0.000 3.322 125 I HA 0.589 4.769 4.170 0.017 0.000 0.313 125 I C -1.094 174.975 176.117 -0.079 0.000 1.129 125 I CA -1.013 60.136 61.300 -0.252 0.000 0.963 125 I CB 1.773 39.651 38.000 -0.203 0.000 1.273 125 I HN 0.605 nan 8.210 nan 0.000 0.473 126 D N 2.732 123.095 120.400 -0.060 0.000 2.348 126 D HA 0.039 4.689 4.640 0.017 0.000 0.259 126 D C 0.105 176.403 176.300 -0.004 0.000 1.296 126 D CA 0.056 54.054 54.000 -0.004 0.000 0.931 126 D CB 0.122 40.906 40.800 -0.026 0.000 1.067 126 D HN 0.662 nan 8.370 nan 0.000 0.503 127 N N 3.363 122.093 118.700 0.049 0.000 2.276 127 N HA -0.003 4.748 4.740 0.017 0.000 0.212 127 N C 0.967 176.472 175.510 -0.008 0.000 1.127 127 N CA -0.163 52.907 53.050 0.033 0.000 0.834 127 N CB 0.364 38.915 38.487 0.107 0.000 1.014 127 N HN 0.422 nan 8.380 nan 0.000 0.491 128 R N -0.170 120.322 120.500 -0.014 0.000 2.215 128 R HA 0.227 4.577 4.340 0.017 0.000 0.190 128 R C -0.323 175.949 176.300 -0.047 0.000 0.968 128 R CA -0.162 55.920 56.100 -0.029 0.000 1.122 128 R CB 0.182 30.482 30.300 0.000 0.000 1.151 128 R HN 0.008 nan 8.270 nan 0.000 0.582 129 N N 1.144 119.822 118.700 -0.037 0.000 2.525 129 N HA -0.017 4.733 4.740 0.017 0.000 0.271 129 N C -0.808 174.607 175.510 -0.159 0.000 1.194 129 N CA -0.096 52.929 53.050 -0.042 0.000 0.964 129 N CB 0.470 38.973 38.487 0.026 0.000 1.126 129 N HN 0.024 nan 8.380 nan 0.000 0.452 130 F N 1.233 120.916 119.950 -0.445 0.000 2.623 130 F HA -0.103 4.434 4.527 0.017 0.000 0.386 130 F C 0.434 175.918 175.800 -0.528 0.000 1.068 130 F CA 0.156 57.784 58.000 -0.621 0.000 1.265 130 F CB 0.250 38.627 39.000 -1.038 0.000 1.026 130 F HN 0.393 nan 8.300 nan 0.000 0.568 131 D N 5.062 124.783 120.400 -1.131 0.000 2.471 131 D HA 0.481 5.132 4.640 0.017 0.000 0.245 131 D C 0.530 176.237 176.300 -0.989 0.000 1.116 131 D CA 0.049 53.574 54.000 -0.792 0.000 0.853 131 D CB 1.633 42.195 40.800 -0.397 0.000 1.123 131 D HN 0.648 nan 8.370 nan 0.000 0.540 132 A N 3.918 126.322 122.820 -0.695 0.000 1.908 132 A HA -0.203 4.128 4.320 0.017 0.000 0.218 132 A C 1.904 179.395 177.584 -0.156 0.000 1.181 132 A CA 1.229 53.081 52.037 -0.308 0.000 0.627 132 A CB -0.443 18.566 19.000 0.014 0.000 0.818 132 A HN 0.679 nan 8.150 nan 0.000 0.445 133 E N -0.243 119.870 120.200 -0.146 0.000 2.077 133 E HA -0.154 4.206 4.350 0.017 0.000 0.193 133 E C 2.015 178.570 176.600 -0.075 0.000 0.989 133 E CA 1.838 58.186 56.400 -0.086 0.000 0.800 133 E CB -0.393 29.264 29.700 -0.071 0.000 0.746 133 E HN 0.543 nan 8.360 nan 0.000 0.452 134 T N 1.015 115.507 114.554 -0.104 0.000 2.708 134 T HA -0.143 4.217 4.350 0.017 0.000 0.266 134 T C 1.507 176.234 174.700 0.045 0.000 1.037 134 T CA 1.269 63.348 62.100 -0.035 0.000 1.146 134 T CB -0.508 68.328 68.868 -0.054 0.000 0.865 134 T HN 0.167 nan 8.240 nan 0.000 0.435 135 F N 2.084 121.911 119.950 -0.205 0.000 2.171 135 F HA -0.066 4.471 4.527 0.018 0.000 0.300 135 F C 2.464 178.196 175.800 -0.114 0.000 1.090 135 F CA 1.005 58.922 58.000 -0.138 0.000 1.293 135 F CB -0.658 38.262 39.000 -0.133 0.000 1.013 135 F HN 0.034 nan 8.300 nan 0.000 0.486 136 Q N 0.165 119.897 119.800 -0.114 0.000 2.170 136 Q HA -0.164 4.186 4.340 0.017 0.000 0.203 136 Q C 2.336 178.248 176.000 -0.147 0.000 0.976 136 Q CA 2.445 58.138 55.803 -0.184 0.000 0.858 136 Q CB -0.716 27.965 28.738 -0.095 0.000 0.907 136 Q HN 0.543 nan 8.270 nan 0.000 0.433 137 T N -3.180 111.331 114.554 -0.070 0.000 2.833 137 T HA -0.088 4.272 4.350 0.017 0.000 0.269 137 T C 2.005 176.692 174.700 -0.020 0.000 1.054 137 T CA 1.510 63.592 62.100 -0.029 0.000 1.135 137 T CB -0.418 68.457 68.868 0.012 0.000 0.869 137 T HN 0.157 nan 8.240 nan 0.000 0.466 138 S N 1.623 117.313 115.700 -0.016 0.000 2.355 138 S HA 0.160 4.641 4.470 0.017 0.000 0.222 138 S C 1.982 176.497 174.600 -0.142 0.000 1.031 138 S CA 1.151 59.364 58.200 0.022 0.000 0.993 138 S CB -0.539 62.761 63.200 0.167 0.000 0.859 138 S HN 0.440 nan 8.310 nan 0.000 0.453 139 L N 1.490 122.488 121.223 -0.375 0.000 2.131 139 L HA -0.143 4.207 4.340 0.017 0.000 0.210 139 L C 1.991 178.752 176.870 -0.181 0.000 1.092 139 L CA 0.949 55.575 54.840 -0.358 0.000 0.759 139 L CB -0.678 41.062 42.059 -0.531 0.000 0.903 139 L HN 0.184 nan 8.230 nan 0.000 0.435 140 D N -0.223 120.091 120.400 -0.142 0.000 2.182 140 D HA -0.145 4.505 4.640 0.017 0.000 0.201 140 D C 2.280 178.543 176.300 -0.062 0.000 0.986 140 D CA 0.998 54.948 54.000 -0.084 0.000 0.847 140 D CB -0.083 40.680 40.800 -0.062 0.000 0.942 140 D HN 0.118 nan 8.370 nan 0.000 0.467 141 V N 0.551 120.427 119.914 -0.064 0.000 2.594 141 V HA -0.151 3.979 4.120 0.017 0.000 0.253 141 V C 1.878 177.933 176.094 -0.065 0.000 1.069 141 V CA 1.407 63.675 62.300 -0.053 0.000 1.082 141 V CB -0.292 31.503 31.823 -0.046 0.000 0.680 141 V HN 0.195 nan 8.190 nan 0.000 0.469 142 V N -2.226 117.637 119.914 -0.085 0.000 2.940 142 V HA 0.713 4.843 4.120 0.017 0.000 0.366 142 V C 0.583 176.669 176.094 -0.014 0.000 1.353 142 V CA -0.540 61.730 62.300 -0.051 0.000 1.232 142 V CB -0.295 31.474 31.823 -0.089 0.000 1.278 142 V HN 0.210 nan 8.190 nan 0.000 0.546 143 A N 0.747 123.551 122.820 -0.026 0.000 2.531 143 A HA 0.509 4.839 4.320 0.017 0.000 0.236 143 A C 1.702 179.287 177.584 0.001 0.000 1.062 143 A CA 0.951 52.976 52.037 -0.020 0.000 0.760 143 A CB -0.469 18.516 19.000 -0.026 0.000 0.995 143 A HN 2.143 nan 8.150 nan 0.000 0.501 144 G N 1.170 109.973 108.800 0.005 0.000 2.179 144 G HA2 -0.236 3.734 3.960 0.017 0.000 0.260 144 G HA3 -0.236 3.734 3.960 0.017 0.000 0.260 144 G C 0.204 175.121 174.900 0.029 0.000 0.977 144 G CA 0.964 46.073 45.100 0.015 0.000 0.641 144 G HN 0.882 nan 8.290 nan 0.000 0.533 145 K N -0.467 119.958 120.400 0.042 0.000 2.208 145 K HA 0.625 4.955 4.320 0.017 0.000 0.247 145 K C 1.507 178.150 176.600 0.071 0.000 0.953 145 K CA -0.073 56.256 56.287 0.070 0.000 0.837 145 K CB 1.412 33.972 32.500 0.100 0.000 1.131 145 K HN 0.173 nan 8.250 nan 0.000 0.431 146 T N -2.458 112.150 114.554 0.091 0.000 3.037 146 T HA 0.112 4.472 4.350 0.017 0.000 0.252 146 T C 0.255 174.894 174.700 -0.102 0.000 1.073 146 T CA 0.479 62.599 62.100 0.032 0.000 1.091 146 T CB -0.068 68.856 68.868 0.093 0.000 0.935 146 T HN 0.515 nan 8.240 nan 0.000 0.488 147 H N 0.238 119.297 119.070 -0.019 0.000 2.928 147 H HA 0.657 5.224 4.556 0.017 0.000 0.371 147 H C -1.194 174.176 175.328 0.070 0.000 1.186 147 H CA -1.333 54.670 56.048 -0.076 0.000 1.134 147 H CB 1.674 31.359 29.762 -0.129 0.000 1.824 147 H HN 0.348 nan 8.280 nan 0.000 0.554 148 F N -0.827 119.150 119.950 0.045 0.000 2.645 148 F HA 0.583 5.120 4.527 0.017 0.000 0.310 148 F C -1.327 174.514 175.800 0.068 0.000 1.102 148 F CA -1.125 56.896 58.000 0.034 0.000 0.952 148 F CB 1.206 40.209 39.000 0.006 0.000 1.326 148 F HN 0.521 nan 8.300 nan 0.000 0.456 149 D N 0.215 120.840 120.400 0.375 0.000 2.592 149 D HA 0.269 4.919 4.640 0.017 0.000 0.259 149 D C 0.588 177.155 176.300 0.445 0.000 1.144 149 D CA -0.479 53.672 54.000 0.251 0.000 1.080 149 D CB 0.105 40.956 40.800 0.086 0.000 1.225 149 D HN 0.485 nan 8.370 nan 0.000 0.619 150 Y N -0.187 120.234 120.300 0.201 0.000 2.165 150 Y HA -0.053 4.506 4.550 0.016 0.000 0.286 150 Y C 2.646 178.637 175.900 0.152 0.000 1.155 150 Y CA 1.688 59.833 58.100 0.075 0.000 1.164 150 Y CB -1.223 37.150 38.460 -0.145 0.000 0.978 150 Y HN 0.560 nan 8.280 nan 0.000 0.513 151 A N -0.017 122.972 122.820 0.281 0.000 1.933 151 A HA -0.167 4.163 4.320 0.017 0.000 0.218 151 A C 1.998 179.687 177.584 0.174 0.000 1.175 151 A CA 1.864 54.011 52.037 0.183 0.000 0.628 151 A CB -0.639 18.438 19.000 0.128 0.000 0.814 151 A HN 0.382 nan 8.150 nan 0.000 0.444 152 D N -0.773 119.752 120.400 0.209 0.000 2.117 152 D HA -0.158 4.492 4.640 0.017 0.000 0.197 152 D C 1.815 178.159 176.300 0.073 0.000 0.987 152 D CA 1.749 55.825 54.000 0.126 0.000 0.829 152 D CB -0.371 40.517 40.800 0.147 0.000 0.961 152 D HN 0.424 nan 8.370 nan 0.000 0.460 153 M N 1.313 121.072 119.600 0.264 0.000 2.159 153 M HA -0.152 4.338 4.480 0.017 0.000 0.263 153 M C 1.513 177.962 176.300 0.249 0.000 1.063 153 M CA 1.293 56.752 55.300 0.264 0.000 1.110 153 M CB -0.456 32.516 32.600 0.620 0.000 1.374 153 M HN -0.170 nan 8.290 nan 0.000 0.411 154 N N 0.147 118.981 118.700 0.224 0.000 2.120 154 N HA -0.160 4.590 4.740 0.017 0.000 0.188 154 N C 1.500 177.085 175.510 0.125 0.000 1.024 154 N CA 1.548 54.696 53.050 0.164 0.000 0.852 154 N CB -0.151 38.408 38.487 0.120 0.000 1.003 154 N HN 0.432 nan 8.380 nan 0.000 0.424 155 E N 0.200 120.459 120.200 0.098 0.000 2.110 155 E HA -0.110 4.251 4.350 0.017 0.000 0.193 155 E C 2.151 178.798 176.600 0.078 0.000 0.988 155 E CA 0.616 57.055 56.400 0.066 0.000 0.804 155 E CB -0.156 29.567 29.700 0.039 0.000 0.745 155 E HN 0.524 nan 8.360 nan 0.000 0.458 156 I N 1.320 121.947 120.570 0.095 0.000 2.142 156 I HA -0.304 3.876 4.170 0.017 0.000 0.240 156 I C 2.610 178.886 176.117 0.265 0.000 1.078 156 I CA 1.570 62.967 61.300 0.162 0.000 1.343 156 I CB -0.270 37.828 38.000 0.164 0.000 1.046 156 I HN 0.071 nan 8.210 nan 0.000 0.405 157 R N 1.686 122.379 120.500 0.322 0.000 2.120 157 R HA -0.106 4.244 4.340 0.017 0.000 0.234 157 R C 1.925 178.283 176.300 0.095 0.000 1.123 157 R CA 1.495 57.735 56.100 0.232 0.000 0.975 157 R CB -1.219 29.227 30.300 0.243 0.000 0.866 157 R HN 0.293 nan 8.270 nan 0.000 0.446 158 L N 0.225 121.495 121.223 0.078 0.000 2.056 158 L HA -0.107 4.243 4.340 0.017 0.000 0.207 158 L C 2.810 179.691 176.870 0.018 0.000 1.078 158 L CA 1.613 56.466 54.840 0.022 0.000 0.749 158 L CB -0.518 41.554 42.059 0.022 0.000 0.901 158 L HN 0.304 nan 8.230 nan 0.000 0.433 159 Q N -0.046 119.783 119.800 0.047 0.000 2.084 159 Q HA -0.190 4.160 4.340 0.017 0.000 0.202 159 Q C 2.350 178.382 176.000 0.053 0.000 0.978 159 Q CA 1.506 57.333 55.803 0.040 0.000 0.844 159 Q CB 0.061 28.830 28.738 0.051 0.000 0.898 159 Q HN 0.182 nan 8.270 nan 0.000 0.426 160 R N 0.391 120.948 120.500 0.095 0.000 2.075 160 R HA -0.088 4.262 4.340 0.017 0.000 0.232 160 R C 2.101 178.480 176.300 0.132 0.000 1.126 160 R CA 1.558 57.735 56.100 0.128 0.000 0.963 160 R CB -0.483 29.910 30.300 0.155 0.000 0.858 160 R HN 0.535 nan 8.270 nan 0.000 0.435 161 E N 0.752 120.979 120.200 0.044 0.000 2.077 161 E HA -0.157 4.204 4.350 0.017 0.000 0.193 161 E C 2.033 178.559 176.600 -0.123 0.000 0.989 161 E CA 1.757 58.145 56.400 -0.020 0.000 0.800 161 E CB -0.066 29.534 29.700 -0.166 0.000 0.746 161 E HN 0.384 nan 8.360 nan 0.000 0.452 162 S N 1.267 116.909 115.700 -0.097 0.000 2.356 162 S HA -0.161 4.319 4.470 0.017 0.000 0.223 162 S C 2.154 176.688 174.600 -0.110 0.000 1.032 162 S CA 0.822 58.947 58.200 -0.125 0.000 1.005 162 S CB -0.662 62.497 63.200 -0.068 0.000 0.867 162 S HN 0.155 nan 8.310 nan 0.000 0.449 163 L N 1.348 122.550 121.223 -0.035 0.000 2.046 163 L HA -0.087 4.264 4.340 0.017 0.000 0.208 163 L C 2.993 179.868 176.870 0.008 0.000 1.077 163 L CA 1.552 56.388 54.840 -0.006 0.000 0.747 163 L CB -0.673 41.404 42.059 0.030 0.000 0.896 163 L HN 0.363 nan 8.230 nan 0.000 0.432 164 S N -0.427 115.308 115.700 0.059 0.000 2.383 164 S HA -0.155 4.325 4.470 0.017 0.000 0.227 164 S C 1.737 176.351 174.600 0.024 0.000 1.026 164 S CA 1.278 59.586 58.200 0.180 0.000 0.981 164 S CB -0.346 63.135 63.200 0.469 0.000 0.818 164 S HN 0.403 nan 8.310 nan 0.000 0.472 165 N N 1.352 119.769 118.700 -0.472 0.000 2.244 165 N HA -0.083 4.667 4.740 0.017 0.000 0.183 165 N C 1.509 176.874 175.510 -0.241 0.000 1.016 165 N CA 1.156 53.770 53.050 -0.727 0.000 0.866 165 N CB -0.093 37.752 38.487 -1.072 0.000 0.980 165 N HN 0.503 nan 8.380 nan 0.000 0.430 166 E N -0.649 119.460 120.200 -0.152 0.000 2.112 166 E HA 0.012 4.372 4.350 0.017 0.000 0.190 166 E C 1.639 178.226 176.600 -0.022 0.000 0.979 166 E CA 0.644 56.998 56.400 -0.076 0.000 0.814 166 E CB 0.092 29.754 29.700 -0.064 0.000 0.762 166 E HN 0.349 nan 8.360 nan 0.000 0.460 167 L N 0.808 122.040 121.223 0.015 0.000 2.416 167 L HA 0.059 4.409 4.340 0.017 0.000 0.216 167 L C 0.279 177.209 176.870 0.099 0.000 1.098 167 L CA -0.077 54.791 54.840 0.047 0.000 0.840 167 L CB 0.095 42.183 42.059 0.049 0.000 0.981 167 L HN -0.034 nan 8.230 nan 0.000 0.462 168 D N 0.300 120.803 120.400 0.171 0.000 2.372 168 D HA 0.046 4.696 4.640 0.017 0.000 0.243 168 D C -0.245 176.212 176.300 0.261 0.000 1.121 168 D CA -0.209 53.961 54.000 0.283 0.000 0.898 168 D CB 0.650 41.759 40.800 0.516 0.000 1.202 168 D HN -0.199 nan 8.370 nan 0.000 0.428 169 F N 2.312 122.355 119.950 0.154 0.000 2.629 169 F HA 0.085 4.622 4.527 0.017 0.000 0.377 169 F C -1.730 174.199 175.800 0.216 0.000 1.101 169 F CA -1.242 56.841 58.000 0.139 0.000 1.301 169 F CB 0.259 39.313 39.000 0.091 0.000 1.062 169 F HN 0.154 nan 8.300 nan 0.000 0.583 170 P HA 0.121 nan 4.420 nan 0.000 0.261 170 P C 0.445 177.855 177.300 0.182 0.000 1.173 170 P CA 1.631 64.663 63.100 -0.114 0.000 0.760 170 P CB 0.358 31.885 31.700 -0.288 0.000 0.783 171 G N 2.376 111.315 108.800 0.232 0.000 2.241 171 G HA2 -0.268 3.702 3.960 0.017 0.000 0.244 171 G HA3 -0.268 3.702 3.960 0.017 0.000 0.244 171 G C 0.989 176.106 174.900 0.363 0.000 0.998 171 G CA 0.147 45.412 45.100 0.274 0.000 0.621 171 G HN 0.577 nan 8.290 nan 0.000 0.519 172 W N 0.899 122.388 121.300 0.315 0.000 2.441 172 W HA 0.334 5.004 4.660 0.016 0.000 0.302 172 W C 1.067 177.808 176.519 0.369 0.000 1.191 172 W CA 0.775 58.328 57.345 0.346 0.000 1.327 172 W CB -0.250 29.399 29.460 0.315 0.000 1.128 172 W HN 0.231 nan 8.180 nan 0.000 0.522 173 F N 3.507 123.572 119.950 0.191 0.000 2.612 173 F HA 0.060 4.598 4.527 0.018 0.000 0.389 173 F C -0.470 175.287 175.800 -0.072 0.000 1.055 173 F CA 1.420 59.479 58.000 0.097 0.000 1.232 173 F CB 0.681 39.777 39.000 0.160 0.000 1.044 173 F HN -0.363 nan 8.300 nan 0.000 0.560 174 T N 6.491 120.484 114.554 -0.935 0.000 2.965 174 T HA 0.122 4.482 4.350 0.017 0.000 0.306 174 T C -0.679 173.526 174.700 -0.825 0.000 0.991 174 T CA -0.704 60.923 62.100 -0.789 0.000 1.001 174 T CB 0.995 69.304 68.868 -0.931 0.000 0.984 174 T HN 0.672 nan 8.240 nan 0.000 0.446 175 E N 1.762 121.617 120.200 -0.576 0.000 2.392 175 E HA 0.226 4.586 4.350 0.017 0.000 0.264 175 E C -0.300 176.268 176.600 -0.054 0.000 1.024 175 E CA 0.029 56.318 56.400 -0.186 0.000 0.903 175 E CB 0.508 30.208 29.700 0.000 0.000 0.963 175 E HN 0.502 nan 8.360 nan 0.000 0.432 176 S N 3.405 119.214 115.700 0.182 0.000 2.300 176 S HA 0.201 4.681 4.470 0.017 0.000 0.172 176 S C 0.353 174.918 174.600 -0.058 0.000 1.484 176 S CA -0.521 57.635 58.200 -0.072 0.000 1.265 176 S CB 0.170 63.204 63.200 -0.276 0.000 1.313 176 S HN 0.510 nan 8.310 nan 0.000 0.387 177 K N 1.541 121.941 120.400 0.000 0.000 2.057 177 K HA -0.018 4.312 4.320 0.017 0.000 0.207 177 K C -1.150 175.422 176.600 -0.046 0.000 1.049 177 K CA 1.543 57.828 56.287 -0.003 0.000 0.931 177 K CB -0.657 31.838 32.500 -0.009 0.000 0.714 177 K HN 0.384 nan 8.250 nan 0.000 0.440 178 P HA -0.151 nan 4.420 nan 0.000 0.215 178 P C 1.171 178.425 177.300 -0.076 0.000 1.157 178 P CA 1.255 64.315 63.100 -0.066 0.000 0.868 178 P CB 0.067 31.725 31.700 -0.069 0.000 0.788 179 I N -0.988 119.513 120.570 -0.115 0.000 2.233 179 I HA -0.227 3.953 4.170 0.017 0.000 0.243 179 I C 2.745 178.800 176.117 -0.104 0.000 1.093 179 I CA 1.288 62.541 61.300 -0.078 0.000 1.380 179 I CB -0.692 37.302 38.000 -0.010 0.000 1.067 179 I HN -0.049 nan 8.210 nan 0.000 0.413 180 Q N 1.257 120.881 119.800 -0.293 0.000 2.096 180 Q HA -0.220 4.130 4.340 0.017 0.000 0.204 180 Q C 1.755 177.823 176.000 0.114 0.000 0.982 180 Q CA 1.773 57.516 55.803 -0.100 0.000 0.850 180 Q CB 0.020 28.686 28.738 -0.120 0.000 0.901 180 Q HN 0.482 nan 8.270 nan 0.000 0.422 181 N N -0.510 118.225 118.700 0.059 0.000 2.463 181 N HA -0.051 4.699 4.740 0.017 0.000 0.181 181 N C 1.604 177.138 175.510 0.040 0.000 1.078 181 N CA 0.637 53.750 53.050 0.106 0.000 0.902 181 N CB 0.358 38.893 38.487 0.079 0.000 0.970 181 N HN 0.116 nan 8.380 nan 0.000 0.451 182 V N 1.883 121.762 119.914 -0.059 0.000 2.295 182 V HA -0.220 3.910 4.120 0.017 0.000 0.246 182 V C 1.988 177.837 176.094 -0.409 0.000 1.049 182 V CA 1.687 63.837 62.300 -0.250 0.000 1.024 182 V CB -0.399 31.234 31.823 -0.316 0.000 0.648 182 V HN 0.263 nan 8.190 nan 0.000 0.447 183 E N 0.008 120.124 120.200 -0.140 0.000 2.110 183 E HA -0.162 4.198 4.350 0.017 0.000 0.193 183 E C 2.376 179.229 176.600 0.421 0.000 0.988 183 E CA 1.453 57.965 56.400 0.187 0.000 0.804 183 E CB -0.226 29.752 29.700 0.464 0.000 0.745 183 E HN 0.519 nan 8.360 nan 0.000 0.458 184 S N 0.332 116.289 115.700 0.428 0.000 2.359 184 S HA -0.164 4.317 4.470 0.017 0.000 0.224 184 S C 2.113 177.008 174.600 0.492 0.000 1.035 184 S CA 1.172 59.645 58.200 0.454 0.000 1.018 184 S CB -0.663 62.815 63.200 0.464 0.000 0.876 184 S HN 0.516 nan 8.310 nan 0.000 0.448 185 G N 0.955 109.977 108.800 0.369 0.000 2.422 185 G HA2 -0.164 3.806 3.960 0.017 0.000 0.218 185 G HA3 -0.164 3.806 3.960 0.017 0.000 0.218 185 G C 1.082 176.355 174.900 0.621 0.000 1.146 185 G CA 0.581 45.939 45.100 0.429 0.000 0.769 185 G HN 0.406 nan 8.290 nan 0.000 0.547 186 F N 0.991 121.191 119.950 0.417 0.000 2.171 186 F HA 0.064 4.602 4.527 0.018 0.000 0.300 186 F C 2.641 178.698 175.800 0.428 0.000 1.090 186 F CA -0.089 58.156 58.000 0.407 0.000 1.293 186 F CB -0.759 38.501 39.000 0.434 0.000 1.013 186 F HN 0.103 nan 8.300 nan 0.000 0.486 187 I N -1.385 119.537 120.570 0.587 0.000 2.179 187 I HA -0.326 3.854 4.170 0.017 0.000 0.242 187 I C 2.342 178.528 176.117 0.116 0.000 1.088 187 I CA 1.314 62.800 61.300 0.310 0.000 1.357 187 I CB -0.636 37.260 38.000 -0.175 0.000 1.051 187 I HN -0.062 nan 8.210 nan 0.000 0.409 188 F N 0.925 121.011 119.950 0.227 0.000 2.171 188 F HA -0.232 4.305 4.527 0.016 0.000 0.300 188 F C 2.598 178.622 175.800 0.373 0.000 1.090 188 F CA 1.433 59.592 58.000 0.265 0.000 1.293 188 F CB -0.718 38.493 39.000 0.353 0.000 1.013 188 F HN 0.011 nan 8.300 nan 0.000 0.486 189 A N -0.472 122.703 122.820 0.592 0.000 1.902 189 A HA -0.141 4.189 4.320 0.017 0.000 0.217 189 A C 2.074 179.706 177.584 0.081 0.000 1.181 189 A CA 1.616 53.757 52.037 0.173 0.000 0.623 189 A CB -0.890 18.264 19.000 0.257 0.000 0.818 189 A HN 0.348 nan 8.150 nan 0.000 0.443 190 L N -0.450 120.866 121.223 0.155 0.000 2.168 190 L HA 0.055 4.405 4.340 0.017 0.000 0.203 190 L C 1.637 178.644 176.870 0.229 0.000 1.078 190 L CA 1.954 56.850 54.840 0.093 0.000 0.780 190 L CB 0.343 42.284 42.059 -0.196 0.000 0.939 190 L HN 0.368 nan 8.230 nan 0.000 0.451 191 V N -3.259 116.772 119.914 0.196 0.000 3.078 191 V HA 0.401 4.531 4.120 0.017 0.000 0.344 191 V C 0.532 176.745 176.094 0.198 0.000 1.409 191 V CA -0.018 62.473 62.300 0.318 0.000 1.146 191 V CB -0.817 31.196 31.823 0.317 0.000 1.126 191 V HN 0.325 nan 8.190 nan 0.000 0.513 192 S N -0.085 115.679 115.700 0.106 0.000 2.593 192 S HA 0.306 4.786 4.470 0.017 0.000 0.269 192 S C -0.005 174.586 174.600 -0.015 0.000 1.334 192 S CA -0.063 58.149 58.200 0.020 0.000 1.015 192 S CB 1.264 64.576 63.200 0.187 0.000 0.912 192 S HN 0.452 nan 8.310 nan 0.000 0.541 193 D N 1.758 122.077 120.400 -0.135 0.000 2.435 193 D HA 0.172 4.822 4.640 0.017 0.000 0.230 193 D C 0.610 176.822 176.300 -0.146 0.000 1.215 193 D CA -0.881 52.942 54.000 -0.295 0.000 0.947 193 D CB -0.454 40.224 40.800 -0.204 0.000 1.048 193 D HN 0.536 nan 8.370 nan 0.000 0.512 194 F N 1.703 121.722 119.950 0.116 0.000 2.771 194 F HA 0.140 4.678 4.527 0.018 0.000 0.299 194 F C 1.074 176.904 175.800 0.050 0.000 1.177 194 F CA -0.187 57.840 58.000 0.046 0.000 1.450 194 F CB -1.185 37.792 39.000 -0.039 0.000 1.114 194 F HN 0.172 nan 8.300 nan 0.000 0.587 195 N N 0.306 119.127 118.700 0.202 0.000 2.398 195 N HA 0.157 4.907 4.740 0.017 0.000 0.188 195 N C 0.003 175.567 175.510 0.091 0.000 1.122 195 N CA -0.070 53.095 53.050 0.192 0.000 0.866 195 N CB 0.176 38.760 38.487 0.162 0.000 0.970 195 N HN 0.257 nan 8.380 nan 0.000 0.462 196 L N 1.323 122.577 121.223 0.051 0.000 2.334 196 L HA 0.283 4.633 4.340 0.017 0.000 0.277 196 L C -1.080 175.817 176.870 0.045 0.000 1.075 196 L CA -1.757 53.093 54.840 0.016 0.000 0.804 196 L CB 0.949 42.989 42.059 -0.032 0.000 1.174 196 L HN -0.100 nan 8.230 nan 0.000 0.438 197 P HA -0.149 nan 4.420 nan 0.000 0.218 197 P C 0.232 177.559 177.300 0.046 0.000 1.149 197 P CA 1.145 64.269 63.100 0.040 0.000 0.817 197 P CB 0.056 31.771 31.700 0.025 0.000 0.785 198 D N -1.392 119.030 120.400 0.037 0.000 2.643 198 D HA -0.023 4.627 4.640 0.017 0.000 0.244 198 D C 1.119 177.456 176.300 0.061 0.000 1.257 198 D CA -0.538 53.487 54.000 0.041 0.000 0.831 198 D CB -1.422 39.390 40.800 0.020 0.000 1.043 198 D HN 0.119 nan 8.370 nan 0.000 0.488 199 N N 1.164 119.917 118.700 0.089 0.000 2.104 199 N HA -0.198 4.553 4.740 0.017 0.000 0.190 199 N C 0.503 176.130 175.510 0.194 0.000 1.024 199 N CA 1.211 54.340 53.050 0.131 0.000 0.853 199 N CB 0.204 38.791 38.487 0.166 0.000 1.008 199 N HN 0.016 nan 8.380 nan 0.000 0.424 200 D N 0.557 121.075 120.400 0.197 0.000 2.149 200 D HA -0.082 4.568 4.640 0.017 0.000 0.201 200 D C 1.677 178.077 176.300 0.166 0.000 0.972 200 D CA 0.911 55.072 54.000 0.269 0.000 0.835 200 D CB -0.165 40.764 40.800 0.215 0.000 0.966 200 D HN 0.514 nan 8.370 nan 0.000 0.476 201 E N -0.079 120.181 120.200 0.100 0.000 2.107 201 E HA -0.075 4.285 4.350 0.017 0.000 0.191 201 E C 0.635 177.257 176.600 0.038 0.000 0.982 201 E CA 0.627 57.062 56.400 0.058 0.000 0.809 201 E CB 0.106 29.831 29.700 0.042 0.000 0.756 201 E HN 0.002 nan 8.360 nan 0.000 0.459 202 N N 0.350 119.060 118.700 0.017 0.000 2.687 202 N HA 0.109 4.859 4.740 0.017 0.000 0.275 202 N C -2.849 172.595 175.510 -0.111 0.000 1.789 202 N CA -1.796 51.216 53.050 -0.063 0.000 0.806 202 N CB 0.770 39.235 38.487 -0.036 0.000 1.256 202 N HN -0.147 nan 8.380 nan 0.000 0.500 203 P HA 0.156 nan 4.420 nan 0.000 0.271 203 P C -0.695 176.618 177.300 0.021 0.000 1.216 203 P CA -0.021 63.104 63.100 0.041 0.000 0.771 203 P CB 1.246 33.117 31.700 0.285 0.000 0.864 204 L N 3.333 124.574 121.223 0.029 0.000 2.325 204 L HA 0.348 4.698 4.340 0.017 0.000 0.281 204 L C 0.286 177.031 176.870 -0.208 0.000 1.004 204 L CA -1.359 53.457 54.840 -0.039 0.000 0.823 204 L CB 2.012 44.073 42.059 0.003 0.000 1.236 204 L HN 0.094 nan 8.230 nan 0.000 0.415 205 V N 3.767 123.291 119.914 -0.650 0.000 2.585 205 V HA 0.104 4.234 4.120 0.017 0.000 0.296 205 V C 0.763 176.436 176.094 -0.701 0.000 1.035 205 V CA -0.185 61.579 62.300 -0.894 0.000 1.084 205 V CB 0.713 31.470 31.823 -1.777 0.000 0.953 205 V HN 0.671 nan 8.190 nan 0.000 0.483 206 R N 4.203 124.340 120.500 -0.605 0.000 2.288 206 R HA 0.288 4.638 4.340 0.017 0.000 0.330 206 R C 1.026 177.137 176.300 -0.315 0.000 1.069 206 R CA -0.221 55.416 56.100 -0.772 0.000 0.941 206 R CB 0.445 29.999 30.300 -1.243 0.000 0.998 206 R HN 0.669 nan 8.270 nan 0.000 0.452 207 I N 2.432 122.885 120.570 -0.195 0.000 2.286 207 I HA -0.338 3.842 4.170 0.017 0.000 0.248 207 I C 1.846 178.063 176.117 0.167 0.000 1.115 207 I CA 1.374 62.760 61.300 0.144 0.000 1.392 207 I CB -0.201 37.898 38.000 0.165 0.000 1.065 207 I HN 0.666 nan 8.210 nan 0.000 0.418 208 D N 0.213 120.636 120.400 0.039 0.000 2.144 208 D HA -0.245 4.405 4.640 0.017 0.000 0.199 208 D C 1.874 178.384 176.300 0.350 0.000 0.984 208 D CA 1.196 55.286 54.000 0.151 0.000 0.834 208 D CB -0.797 40.058 40.800 0.092 0.000 0.955 208 D HN 0.324 nan 8.370 nan 0.000 0.465 209 W N 0.443 121.800 121.300 0.094 0.000 2.355 209 W HA -0.018 4.654 4.660 0.019 0.000 0.309 209 W C 2.199 178.880 176.519 0.269 0.000 1.206 209 W CA -0.316 57.083 57.345 0.090 0.000 1.284 209 W CB -1.593 27.859 29.460 -0.014 0.000 1.145 209 W HN 0.126 nan 8.180 nan 0.000 0.502 210 W N 1.533 123.024 121.300 0.318 0.000 2.335 210 W HA -0.208 4.462 4.660 0.016 0.000 0.311 210 W C 2.176 178.858 176.519 0.272 0.000 1.213 210 W CA 2.034 59.536 57.345 0.262 0.000 1.274 210 W CB -0.701 28.814 29.460 0.092 0.000 1.148 210 W HN -0.114 nan 8.180 nan 0.000 0.498 211 K N -1.414 119.185 120.400 0.331 0.000 2.063 211 K HA -0.264 4.066 4.320 0.017 0.000 0.208 211 K C 2.093 178.827 176.600 0.224 0.000 1.048 211 K CA 1.891 58.333 56.287 0.258 0.000 0.928 211 K CB -0.934 31.682 32.500 0.193 0.000 0.713 211 K HN 0.143 nan 8.250 nan 0.000 0.442 212 Y N 0.247 120.649 120.300 0.170 0.000 2.145 212 Y HA -0.273 4.286 4.550 0.016 0.000 0.286 212 Y C 2.182 178.140 175.900 0.098 0.000 1.145 212 Y CA 1.472 59.637 58.100 0.107 0.000 1.148 212 Y CB -0.450 38.082 38.460 0.121 0.000 0.981 212 Y HN 0.235 nan 8.280 nan 0.000 0.507 213 W N 0.249 121.699 121.300 0.250 0.000 2.333 213 W HA -0.284 4.386 4.660 0.017 0.000 0.316 213 W C 1.780 178.339 176.519 0.067 0.000 1.215 213 W CA 2.075 59.494 57.345 0.125 0.000 1.278 213 W CB -1.352 28.206 29.460 0.163 0.000 1.154 213 W HN 0.110 nan 8.180 nan 0.000 0.486 214 F N 0.708 120.395 119.950 -0.438 0.000 2.163 214 F HA -0.120 4.417 4.527 0.017 0.000 0.297 214 F C 2.651 177.800 175.800 -1.085 0.000 1.094 214 F CA 2.235 59.700 58.000 -0.891 0.000 1.290 214 F CB -1.229 36.995 39.000 -1.295 0.000 1.017 214 F HN -0.233 nan 8.300 nan 0.000 0.483 215 T N -0.417 113.706 114.554 -0.719 0.000 2.812 215 T HA -0.108 4.253 4.350 0.017 0.000 0.264 215 T C 1.650 176.052 174.700 -0.497 0.000 1.042 215 T CA 1.366 62.909 62.100 -0.929 0.000 1.140 215 T CB -0.166 68.492 68.868 -0.351 0.000 0.870 215 T HN 0.100 nan 8.240 nan 0.000 0.445 216 N N 0.636 119.133 118.700 -0.338 0.000 2.392 216 N HA 0.053 4.803 4.740 0.017 0.000 0.177 216 N C 0.070 175.519 175.510 -0.102 0.000 1.066 216 N CA 0.160 53.050 53.050 -0.267 0.000 0.895 216 N CB 0.102 38.291 38.487 -0.497 0.000 0.988 216 N HN 0.485 nan 8.380 nan 0.000 0.457 217 E N 0.145 120.302 120.200 -0.071 0.000 2.269 217 E HA -0.180 4.180 4.350 0.017 0.000 0.223 217 E C -0.693 175.925 176.600 0.031 0.000 1.244 217 E CA 0.342 56.748 56.400 0.011 0.000 0.713 217 E CB -1.221 28.506 29.700 0.044 0.000 1.178 217 E HN 0.129 nan 8.360 nan 0.000 0.370 218 S N -1.058 114.619 115.700 -0.038 0.000 2.688 218 S HA 0.719 5.199 4.470 0.017 0.000 0.275 218 S C -1.522 172.917 174.600 -0.269 0.000 1.175 218 S CA -0.874 57.239 58.200 -0.144 0.000 0.818 218 S CB 0.913 64.188 63.200 0.124 0.000 1.157 218 S HN 0.161 nan 8.310 nan 0.000 0.482 219 F N 2.497 122.495 119.950 0.079 0.000 2.421 219 F HA 0.456 4.993 4.527 0.016 0.000 0.337 219 F C -1.648 173.775 175.800 -0.629 0.000 1.105 219 F CA -2.119 55.619 58.000 -0.437 0.000 1.049 219 F CB 1.174 39.865 39.000 -0.515 0.000 1.139 219 F HN 0.277 nan 8.300 nan 0.000 0.479 220 P HA -0.012 nan 4.420 nan 0.000 0.246 220 P C 0.562 177.551 177.300 -0.518 0.000 1.686 220 P CA 0.317 62.757 63.100 -1.099 0.000 0.867 220 P CB -0.547 30.669 31.700 -0.807 0.000 1.733 221 Y N 0.477 120.648 120.300 -0.214 0.000 2.193 221 Y HA -0.240 4.319 4.550 0.015 0.000 0.285 221 Y C 2.508 178.445 175.900 0.060 0.000 1.166 221 Y CA 1.698 59.806 58.100 0.013 0.000 1.181 221 Y CB -1.137 37.365 38.460 0.069 0.000 0.976 221 Y HN 0.293 nan 8.280 nan 0.000 0.520 222 H N -0.938 118.212 119.070 0.134 0.000 2.521 222 H HA -0.000 4.566 4.556 0.018 0.000 0.286 222 H C 1.661 177.087 175.328 0.164 0.000 1.034 222 H CA 0.943 57.082 56.048 0.152 0.000 1.278 222 H CB -0.371 29.488 29.762 0.161 0.000 1.386 222 H HN 0.352 nan 8.280 nan 0.000 0.567 223 L N -0.749 120.624 121.223 0.251 0.000 2.653 223 L HA 0.239 4.590 4.340 0.017 0.000 0.231 223 L C 1.306 178.480 176.870 0.507 0.000 1.153 223 L CA 0.404 55.463 54.840 0.366 0.000 0.933 223 L CB 0.405 42.738 42.059 0.457 0.000 1.175 223 L HN 0.359 nan 8.230 nan 0.000 0.473 224 G N -0.754 108.263 108.800 0.361 0.000 2.175 224 G HA2 -0.316 3.654 3.960 0.017 0.000 0.244 224 G HA3 -0.316 3.654 3.960 0.017 0.000 0.244 224 G C -0.029 175.008 174.900 0.230 0.000 0.982 224 G CA -0.164 45.159 45.100 0.373 0.000 0.641 224 G HN 0.373 nan 8.290 nan 0.000 0.527 225 W N 2.502 123.536 121.300 -0.443 0.000 2.126 225 W HA 0.573 5.241 4.660 0.013 0.000 0.346 225 W C 0.699 176.891 176.519 -0.546 0.000 1.279 225 W CA 1.049 57.725 57.345 -1.114 0.000 1.259 225 W CB 0.427 28.876 29.460 -1.685 0.000 1.133 225 W HN 0.611 nan 8.180 nan 0.000 0.592 226 H N 1.068 119.238 119.070 -1.501 0.000 3.017 226 H HA 0.550 5.115 4.556 0.016 0.000 0.346 226 H C -2.860 170.974 175.328 -2.490 0.000 1.286 226 H CA -2.771 52.244 56.048 -1.722 0.000 1.120 226 H CB 0.668 29.814 29.762 -1.026 0.000 1.860 226 H HN 0.057 nan 8.280 nan 0.000 0.542 227 P HA 0.080 nan 4.420 nan 0.000 0.262 227 P C -2.481 174.372 177.300 -0.744 0.000 1.182 227 P CA -0.546 61.957 63.100 -0.995 0.000 0.761 227 P CB -0.114 31.295 31.700 -0.486 0.000 0.795 228 P HA 0.011 nan 4.420 nan 0.000 0.264 228 P C -0.311 176.779 177.300 -0.350 0.000 1.183 228 P CA 0.681 63.484 63.100 -0.496 0.000 0.763 228 P CB 0.442 31.979 31.700 -0.270 0.000 0.807 229 S N 2.726 118.234 115.700 -0.322 0.000 2.672 229 S HA 0.543 5.024 4.470 0.017 0.000 0.291 229 S C -2.439 172.082 174.600 -0.132 0.000 1.145 229 S CA -1.343 56.756 58.200 -0.167 0.000 1.013 229 S CB 0.171 63.343 63.200 -0.046 0.000 1.017 229 S HN 0.242 nan 8.310 nan 0.000 0.487 230 P HA 0.362 nan 4.420 nan 0.000 0.271 230 P C -0.288 176.946 177.300 -0.109 0.000 1.233 230 P CA -0.513 62.533 63.100 -0.090 0.000 0.789 230 P CB 0.220 31.885 31.700 -0.059 0.000 0.951 231 A N 2.458 125.220 122.820 -0.097 0.000 2.531 231 A HA 0.077 4.407 4.320 0.017 0.000 0.236 231 A C 0.750 178.284 177.584 -0.083 0.000 1.062 231 A CA -0.147 51.832 52.037 -0.097 0.000 0.760 231 A CB -0.143 18.814 19.000 -0.071 0.000 0.995 231 A HN 0.410 nan 8.150 nan 0.000 0.501 232 R N 1.699 122.137 120.500 -0.103 0.000 2.590 232 R HA 0.220 4.571 4.340 0.017 0.000 0.274 232 R C 0.015 176.312 176.300 -0.005 0.000 1.061 232 R CA 0.119 56.158 56.100 -0.101 0.000 1.081 232 R CB 0.301 30.503 30.300 -0.164 0.000 0.984 232 R HN 0.774 nan 8.270 nan 0.000 0.448 233 E N 1.187 121.422 120.200 0.059 0.000 2.264 233 E HA 0.118 4.478 4.350 0.017 0.000 0.260 233 E C 1.134 177.835 176.600 0.168 0.000 0.961 233 E CA -0.925 55.532 56.400 0.096 0.000 0.834 233 E CB 1.327 31.076 29.700 0.081 0.000 1.230 233 E HN 0.284 nan 8.360 nan 0.000 0.412 234 I N 1.442 122.099 120.570 0.145 0.000 2.264 234 I HA -0.243 3.937 4.170 0.017 0.000 0.248 234 I C 2.045 178.263 176.117 0.169 0.000 1.111 234 I CA 1.626 63.027 61.300 0.168 0.000 1.382 234 I CB -0.105 37.970 38.000 0.125 0.000 1.060 234 I HN 0.526 nan 8.210 nan 0.000 0.418 235 E N 0.098 120.384 120.200 0.142 0.000 2.118 235 E HA -0.310 4.050 4.350 0.017 0.000 0.195 235 E C 2.236 178.921 176.600 0.141 0.000 0.992 235 E CA 1.494 57.962 56.400 0.112 0.000 0.804 235 E CB -0.542 29.211 29.700 0.088 0.000 0.741 235 E HN 0.539 nan 8.360 nan 0.000 0.458 236 F N 1.000 120.998 119.950 0.079 0.000 2.095 236 F HA -0.218 4.319 4.527 0.017 0.000 0.298 236 F C 2.274 178.146 175.800 0.120 0.000 1.104 236 F CA 1.493 59.553 58.000 0.100 0.000 1.232 236 F CB -0.382 38.690 39.000 0.120 0.000 0.987 236 F HN -0.135 nan 8.300 nan 0.000 0.475 237 V N 0.222 120.391 119.914 0.425 0.000 2.307 237 V HA -0.307 3.824 4.120 0.017 0.000 0.245 237 V C 2.608 178.772 176.094 0.117 0.000 1.045 237 V CA 2.406 64.919 62.300 0.356 0.000 1.024 237 V CB -1.310 30.771 31.823 0.430 0.000 0.651 237 V HN 0.631 nan 8.190 nan 0.000 0.449 238 T N -3.116 111.479 114.554 0.069 0.000 2.985 238 T HA -0.149 4.211 4.350 0.017 0.000 0.266 238 T C 2.037 176.689 174.700 -0.080 0.000 1.076 238 T CA 1.525 63.622 62.100 -0.006 0.000 1.135 238 T CB -0.279 68.592 68.868 0.004 0.000 0.890 238 T HN 0.369 nan 8.240 nan 0.000 0.480 239 S N 1.449 117.084 115.700 -0.110 0.000 2.356 239 S HA 0.029 4.509 4.470 0.017 0.000 0.223 239 S C 2.476 176.871 174.600 -0.341 0.000 1.032 239 S CA 1.278 59.359 58.200 -0.200 0.000 1.005 239 S CB -0.965 62.117 63.200 -0.196 0.000 0.867 239 S HN 0.740 nan 8.310 nan 0.000 0.449 240 A N 0.626 123.224 122.820 -0.370 0.000 1.902 240 A HA -0.053 4.277 4.320 0.017 0.000 0.217 240 A C 2.431 179.782 177.584 -0.388 0.000 1.181 240 A CA 2.180 53.935 52.037 -0.471 0.000 0.623 240 A CB -1.495 17.384 19.000 -0.202 0.000 0.818 240 A HN 0.628 nan 8.150 nan 0.000 0.443 241 S N -0.415 115.186 115.700 -0.164 0.000 2.353 241 S HA -0.175 4.305 4.470 0.017 0.000 0.222 241 S C 2.274 176.780 174.600 -0.156 0.000 1.035 241 S CA 2.116 60.260 58.200 -0.093 0.000 1.025 241 S CB -0.530 62.641 63.200 -0.048 0.000 0.902 241 S HN 0.557 nan 8.310 nan 0.000 0.440 242 S N 1.339 116.927 115.700 -0.187 0.000 2.359 242 S HA -0.105 4.375 4.470 0.017 0.000 0.223 242 S C 2.240 176.681 174.600 -0.266 0.000 1.039 242 S CA 1.386 59.473 58.200 -0.188 0.000 1.042 242 S CB -0.881 62.215 63.200 -0.173 0.000 0.915 242 S HN 0.760 nan 8.310 nan 0.000 0.439 243 A N 0.850 123.386 122.820 -0.472 0.000 1.933 243 A HA -0.043 4.287 4.320 0.017 0.000 0.218 243 A C 2.333 179.609 177.584 -0.513 0.000 1.175 243 A CA 1.487 53.132 52.037 -0.653 0.000 0.628 243 A CB -0.885 17.307 19.000 -1.348 0.000 0.814 243 A HN 0.344 nan 8.150 nan 0.000 0.444 244 V N 0.207 119.851 119.914 -0.449 0.000 2.255 244 V HA -0.280 3.850 4.120 0.017 0.000 0.247 244 V C 2.503 178.574 176.094 -0.039 0.000 1.051 244 V CA 2.124 64.362 62.300 -0.103 0.000 1.018 244 V CB -0.738 31.118 31.823 0.056 0.000 0.641 244 V HN 0.591 nan 8.190 nan 0.000 0.445 245 L N -0.181 121.004 121.223 -0.063 0.000 2.376 245 L HA -0.026 4.324 4.340 0.017 0.000 0.219 245 L C 2.412 179.257 176.870 -0.042 0.000 1.133 245 L CA 1.059 55.880 54.840 -0.032 0.000 0.816 245 L CB -0.577 41.461 42.059 -0.034 0.000 0.933 245 L HN 0.367 nan 8.230 nan 0.000 0.449 246 A N 0.074 122.848 122.820 -0.076 0.000 2.178 246 A HA 0.330 4.660 4.320 0.017 0.000 0.211 246 A C 1.342 178.904 177.584 -0.036 0.000 1.157 246 A CA 0.403 52.402 52.037 -0.063 0.000 0.780 246 A CB -0.245 18.701 19.000 -0.091 0.000 0.828 246 A HN 0.252 nan 8.150 nan 0.000 0.476 247 A N 0.309 123.117 122.820 -0.021 0.000 2.477 247 A HA 0.456 4.786 4.320 0.017 0.000 0.246 247 A C 0.717 178.314 177.584 0.023 0.000 1.078 247 A CA 0.283 52.331 52.037 0.018 0.000 0.770 247 A CB -0.083 18.956 19.000 0.064 0.000 1.011 247 A HN 0.459 nan 8.150 nan 0.000 0.494 248 S N 1.487 117.202 115.700 0.024 0.000 2.533 248 S HA 0.289 4.769 4.470 0.017 0.000 0.282 248 S C 0.013 174.629 174.600 0.027 0.000 1.304 248 S CA -0.472 57.740 58.200 0.020 0.000 1.063 248 S CB -0.105 63.106 63.200 0.017 0.000 0.881 248 S HN 0.668 nan 8.310 nan 0.000 0.493 249 V N 6.004 125.930 119.914 0.021 0.000 2.408 249 V HA 0.223 4.353 4.120 0.017 0.000 0.267 249 V C 1.430 177.535 176.094 0.018 0.000 1.047 249 V CA 0.198 62.511 62.300 0.022 0.000 0.937 249 V CB 0.729 32.562 31.823 0.016 0.000 0.999 249 V HN 1.101 nan 8.190 nan 0.000 0.472 250 T N -0.190 114.376 114.554 0.021 0.000 3.040 250 T HA 0.161 4.521 4.350 0.017 0.000 0.250 250 T C 0.654 175.362 174.700 0.012 0.000 1.058 250 T CA 0.248 62.358 62.100 0.016 0.000 0.988 250 T CB 0.377 69.257 68.868 0.020 0.000 0.993 250 T HN 0.524 nan 8.240 nan 0.000 0.519 251 S N 0.942 116.649 115.700 0.013 0.000 2.736 251 S HA 0.512 4.992 4.470 0.017 0.000 0.285 251 S C -1.144 173.459 174.600 0.006 0.000 1.163 251 S CA -0.493 57.712 58.200 0.008 0.000 1.025 251 S CB 1.351 64.557 63.200 0.009 0.000 1.030 251 S HN 0.282 nan 8.310 nan 0.000 0.486 252 T N 7.064 121.618 114.554 0.000 0.000 2.770 252 T HA 0.525 4.885 4.350 0.017 0.000 0.297 252 T C -2.367 172.327 174.700 -0.010 0.000 0.997 252 T CA -0.898 61.200 62.100 -0.004 0.000 0.949 252 T CB 1.072 69.936 68.868 -0.006 0.000 0.941 252 T HN 0.521 nan 8.240 nan 0.000 0.457 253 P HA 0.344 nan 4.420 nan 0.000 0.272 253 P C -0.188 177.095 177.300 -0.029 0.000 1.230 253 P CA -0.492 62.596 63.100 -0.020 0.000 0.788 253 P CB 0.603 32.290 31.700 -0.021 0.000 0.949 254 S N -0.211 115.469 115.700 -0.033 0.000 2.645 254 S HA 0.251 4.731 4.470 0.017 0.000 0.266 254 S C 0.456 175.020 174.600 -0.060 0.000 1.258 254 S CA -0.082 58.094 58.200 -0.040 0.000 0.990 254 S CB 0.070 63.248 63.200 -0.035 0.000 0.967 254 S HN 0.560 nan 8.310 nan 0.000 0.556 255 S N -0.674 114.985 115.700 -0.068 0.000 3.586 255 S HA -0.136 4.344 4.470 0.017 0.000 0.309 255 S C -0.024 174.494 174.600 -0.138 0.000 1.195 255 S CA 0.220 58.360 58.200 -0.100 0.000 0.895 255 S CB -1.903 61.229 63.200 -0.113 0.000 0.983 255 S HN 0.547 nan 8.310 nan 0.000 0.563 256 L N 2.524 123.687 121.223 -0.101 0.000 2.426 256 L HA 0.330 4.680 4.340 0.017 0.000 0.271 256 L C -1.096 175.726 176.870 -0.080 0.000 1.169 256 L CA -1.636 53.144 54.840 -0.100 0.000 0.836 256 L CB 0.092 42.116 42.059 -0.058 0.000 1.112 256 L HN 0.058 nan 8.230 nan 0.000 0.465 257 P HA 0.013 nan 4.420 nan 0.000 0.272 257 P C -0.480 176.831 177.300 0.017 0.000 1.240 257 P CA -0.470 62.645 63.100 0.024 0.000 0.791 257 P CB 0.858 32.671 31.700 0.189 0.000 0.978 258 S N 0.054 115.767 115.700 0.021 0.000 2.546 258 S HA 0.312 4.792 4.470 0.017 0.000 0.290 258 S C 1.418 176.021 174.600 0.005 0.000 1.290 258 S CA 0.952 59.156 58.200 0.007 0.000 1.069 258 S CB -1.409 61.795 63.200 0.006 0.000 0.846 258 S HN 0.923 nan 8.310 nan 0.000 0.495 259 G N 3.303 112.101 108.800 -0.004 0.000 2.162 259 G HA2 -0.265 3.705 3.960 0.017 0.000 0.260 259 G HA3 -0.265 3.705 3.960 0.017 0.000 0.260 259 G C 1.003 175.898 174.900 -0.009 0.000 0.976 259 G CA 0.548 45.643 45.100 -0.008 0.000 0.655 259 G HN 1.389 nan 8.290 nan 0.000 0.533 260 A N -0.278 122.537 122.820 -0.008 0.000 1.892 260 A HA 0.229 4.559 4.320 0.017 0.000 0.218 260 A C 1.404 178.980 177.584 -0.013 0.000 1.188 260 A CA 1.437 53.466 52.037 -0.014 0.000 0.631 260 A CB -0.180 18.807 19.000 -0.022 0.000 0.822 260 A HN 0.919 nan 8.150 nan 0.000 0.447 261 I N 0.021 120.584 120.570 -0.011 0.000 2.379 261 I HA 0.491 4.671 4.170 0.017 0.000 0.290 261 I C 0.734 176.845 176.117 -0.010 0.000 1.063 261 I CA 0.554 61.849 61.300 -0.008 0.000 1.351 261 I CB 0.310 38.307 38.000 -0.006 0.000 1.410 261 I HN 0.483 nan 8.210 nan 0.000 0.505 262 G N 7.365 116.158 108.800 -0.011 0.000 2.351 262 G HA2 0.048 4.018 3.960 0.017 0.000 0.353 262 G HA3 0.048 4.018 3.960 0.017 0.000 0.353 262 G C -3.228 171.659 174.900 -0.022 0.000 1.358 262 G CA -1.077 44.013 45.100 -0.017 0.000 0.995 262 G HN 0.348 nan 8.290 nan 0.000 0.611 263 P HA 0.451 nan 4.420 nan 0.000 0.271 263 P C 0.471 177.752 177.300 -0.032 0.000 1.233 263 P CA 0.590 63.670 63.100 -0.034 0.000 0.789 263 P CB 0.864 32.541 31.700 -0.037 0.000 0.951 264 G N -0.639 108.139 108.800 -0.036 0.000 2.453 264 G HA2 0.578 4.548 3.960 0.017 0.000 0.323 264 G HA3 0.578 4.548 3.960 0.017 0.000 0.323 264 G C -0.778 174.097 174.900 -0.040 0.000 1.198 264 G CA -0.624 44.454 45.100 -0.035 0.000 0.959 264 G HN 0.606 nan 8.290 nan 0.000 0.482 265 A N 0.516 123.311 122.820 -0.043 0.000 2.483 265 A HA 0.431 4.761 4.320 0.017 0.000 0.238 265 A C 0.618 178.174 177.584 -0.047 0.000 1.070 265 A CA -0.106 51.904 52.037 -0.045 0.000 0.770 265 A CB 0.209 19.178 19.000 -0.050 0.000 1.008 265 A HN 0.763 nan 8.150 nan 0.000 0.497 266 E N 1.124 121.298 120.200 -0.044 0.000 2.414 266 E HA 0.359 4.719 4.350 0.017 0.000 0.263 266 E C 0.394 176.965 176.600 -0.048 0.000 1.000 266 E CA -0.013 56.362 56.400 -0.042 0.000 0.914 266 E CB 0.487 30.165 29.700 -0.036 0.000 0.948 266 E HN 0.797 nan 8.360 nan 0.000 0.444 267 A N 3.712 126.504 122.820 -0.047 0.000 2.477 267 A HA 0.377 4.707 4.320 0.017 0.000 0.246 267 A C -0.118 177.433 177.584 -0.055 0.000 1.078 267 A CA -0.096 51.908 52.037 -0.056 0.000 0.770 267 A CB 0.256 19.226 19.000 -0.049 0.000 1.011 267 A HN 0.565 nan 8.150 nan 0.000 0.494 268 V N -0.441 119.429 119.914 -0.074 0.000 3.160 268 V HA 0.766 4.896 4.120 0.017 0.000 0.310 268 V C -3.006 173.030 176.094 -0.097 0.000 1.181 268 V CA -2.600 59.656 62.300 -0.073 0.000 1.047 268 V CB 1.154 32.934 31.823 -0.072 0.000 1.068 268 V HN 0.670 nan 8.190 nan 0.000 0.441 269 P HA 0.276 nan 4.420 nan 0.000 0.265 269 P C -0.269 176.944 177.300 -0.145 0.000 1.193 269 P CA 0.124 63.165 63.100 -0.098 0.000 0.765 269 P CB 0.199 31.863 31.700 -0.060 0.000 0.823 270 L N 1.740 122.860 121.223 -0.173 0.000 2.473 270 L HA 0.339 4.689 4.340 0.017 0.000 0.268 270 L C 0.898 177.577 176.870 -0.317 0.000 1.215 270 L CA 0.593 55.268 54.840 -0.274 0.000 0.823 270 L CB 0.353 42.303 42.059 -0.180 0.000 1.099 270 L HN 0.405 nan 8.230 nan 0.000 0.483 271 S N 0.859 116.186 115.700 -0.621 0.000 2.533 271 S HA 0.705 5.185 4.470 0.017 0.000 0.271 271 S C -1.349 172.699 174.600 -0.920 0.000 1.143 271 S CA -0.565 57.333 58.200 -0.503 0.000 0.891 271 S CB 0.839 63.878 63.200 -0.268 0.000 1.105 271 S HN 0.297 nan 8.310 nan 0.000 0.468 272 F N 2.090 121.925 119.950 -0.192 0.000 2.556 272 F HA 0.710 5.246 4.527 0.015 0.000 0.314 272 F C 0.592 176.289 175.800 -0.172 0.000 1.106 272 F CA -0.783 57.033 58.000 -0.306 0.000 0.911 272 F CB 1.788 40.355 39.000 -0.721 0.000 1.190 272 F HN 0.738 nan 8.300 nan 0.000 0.448 273 A N 1.534 124.360 122.820 0.009 0.000 2.520 273 A HA 0.228 4.558 4.320 0.017 0.000 0.245 273 A C 1.238 178.862 177.584 0.068 0.000 1.072 273 A CA 0.119 52.170 52.037 0.023 0.000 0.761 273 A CB 0.128 19.135 19.000 0.011 0.000 1.004 273 A HN 0.881 nan 8.150 nan 0.000 0.499 274 S N 0.719 116.456 115.700 0.062 0.000 2.440 274 S HA -0.144 4.336 4.470 0.017 0.000 0.238 274 S C 2.088 176.732 174.600 0.073 0.000 1.010 274 S CA 1.974 60.220 58.200 0.077 0.000 0.972 274 S CB -0.308 62.925 63.200 0.055 0.000 0.774 274 S HN 1.066 nan 8.310 nan 0.000 0.501 275 T N -1.246 113.342 114.554 0.056 0.000 3.067 275 T HA 0.230 4.590 4.350 0.017 0.000 0.257 275 T C 0.603 175.335 174.700 0.054 0.000 1.105 275 T CA -0.004 62.123 62.100 0.045 0.000 1.104 275 T CB -0.264 68.621 68.868 0.029 0.000 0.925 275 T HN 0.288 nan 8.240 nan 0.000 0.498 276 M N 4.347 123.997 119.600 0.083 0.000 2.184 276 M HA 0.247 4.737 4.480 0.017 0.000 0.351 276 M C -0.123 176.266 176.300 0.149 0.000 1.395 276 M CA -0.280 55.080 55.300 0.101 0.000 1.117 276 M CB 0.642 33.315 32.600 0.121 0.000 1.708 276 M HN 0.337 nan 8.290 nan 0.000 0.468 277 T N 4.327 118.902 114.554 0.035 0.000 2.889 277 T HA 0.592 4.953 4.350 0.017 0.000 0.291 277 T C -2.471 172.153 174.700 -0.126 0.000 0.995 277 T CA -1.490 60.586 62.100 -0.041 0.000 1.092 277 T CB 0.516 69.334 68.868 -0.084 0.000 0.954 277 T HN 0.518 nan 8.240 nan 0.000 0.506 278 P HA 0.272 nan 4.420 nan 0.000 0.274 278 P C -0.503 176.603 177.300 -0.324 0.000 1.231 278 P CA -0.686 62.127 63.100 -0.478 0.000 0.790 278 P CB 0.331 31.563 31.700 -0.781 0.000 0.951 279 F N 0.555 120.387 119.950 -0.196 0.000 2.563 279 F HA 0.052 4.588 4.527 0.016 0.000 0.363 279 F C 1.404 177.036 175.800 -0.280 0.000 1.123 279 F CA 0.121 57.990 58.000 -0.218 0.000 1.307 279 F CB -0.242 38.556 39.000 -0.338 0.000 1.115 279 F HN 0.090 nan 8.300 nan 0.000 0.592 280 L N 4.124 125.297 121.223 -0.083 0.000 2.490 280 L HA 0.003 4.353 4.340 0.017 0.000 0.274 280 L C -0.039 176.705 176.870 -0.210 0.000 1.201 280 L CA -0.034 54.709 54.840 -0.161 0.000 0.869 280 L CB 0.026 41.993 42.059 -0.154 0.000 1.123 280 L HN 0.417 nan 8.230 nan 0.000 0.484 281 L N 3.397 124.576 121.223 -0.074 0.000 2.397 281 L HA 0.300 4.650 4.340 0.017 0.000 0.271 281 L C 0.798 177.765 176.870 0.161 0.000 1.148 281 L CA -0.339 54.505 54.840 0.007 0.000 0.825 281 L CB 0.840 42.895 42.059 -0.006 0.000 1.117 281 L HN 0.724 nan 8.230 nan 0.000 0.456 282 A N 1.523 124.497 122.820 0.256 0.000 2.540 282 A HA 0.228 4.558 4.320 0.017 0.000 0.239 282 A C 0.995 178.671 177.584 0.153 0.000 1.061 282 A CA 0.299 52.516 52.037 0.299 0.000 0.758 282 A CB 0.017 19.147 19.000 0.217 0.000 0.991 282 A HN 0.876 nan 8.150 nan 0.000 0.502 283 T N 0.095 114.721 114.554 0.120 0.000 3.105 283 T HA 0.109 4.469 4.350 0.017 0.000 0.253 283 T C 0.413 175.137 174.700 0.039 0.000 1.047 283 T CA -0.327 61.813 62.100 0.067 0.000 0.944 283 T CB -0.546 68.356 68.868 0.056 0.000 1.016 283 T HN 0.643 nan 8.240 nan 0.000 0.544 284 N N 2.390 121.111 118.700 0.036 0.000 2.407 284 N HA 0.310 5.061 4.740 0.017 0.000 0.250 284 N C 0.464 175.996 175.510 0.037 0.000 1.236 284 N CA 0.077 53.142 53.050 0.025 0.000 0.879 284 N CB 0.632 39.132 38.487 0.021 0.000 1.088 284 N HN 0.511 nan 8.380 nan 0.000 0.450 285 A N 3.335 126.177 122.820 0.038 0.000 2.547 285 A HA 0.127 4.457 4.320 0.017 0.000 0.233 285 A C -1.844 175.788 177.584 0.079 0.000 1.067 285 A CA -0.745 51.323 52.037 0.052 0.000 0.763 285 A CB -0.376 18.658 19.000 0.056 0.000 1.007 285 A HN 0.467 nan 8.150 nan 0.000 0.506 286 P HA 0.063 nan 4.420 nan 0.000 0.271 286 P C -0.669 176.745 177.300 0.191 0.000 1.216 286 P CA 0.243 63.418 63.100 0.125 0.000 0.771 286 P CB 0.224 31.978 31.700 0.091 0.000 0.864 287 Y N 5.262 125.604 120.300 0.071 0.000 2.497 287 Y HA 0.216 4.776 4.550 0.016 0.000 0.334 287 Y C -0.428 175.560 175.900 0.147 0.000 1.199 287 Y CA 0.264 58.394 58.100 0.050 0.000 1.425 287 Y CB 0.215 38.701 38.460 0.044 0.000 1.291 287 Y HN 0.454 nan 8.280 nan 0.000 0.562 288 Y N 2.554 122.349 120.300 -0.841 0.000 2.571 288 Y HA 0.799 5.360 4.550 0.017 0.000 0.341 288 Y C -1.036 174.253 175.900 -1.019 0.000 1.076 288 Y CA -1.800 55.811 58.100 -0.815 0.000 1.029 288 Y CB 0.426 38.715 38.460 -0.284 0.000 1.308 288 Y HN 0.840 nan 8.280 nan 0.000 0.461 289 A N 2.159 124.644 122.820 -0.558 0.000 2.488 289 A HA 0.362 4.693 4.320 0.017 0.000 0.249 289 A C 0.123 177.585 177.584 -0.204 0.000 1.083 289 A CA -0.243 51.576 52.037 -0.363 0.000 0.768 289 A CB 0.256 19.138 19.000 -0.197 0.000 1.017 289 A HN 0.942 nan 8.150 nan 0.000 0.496 290 Q N 0.071 119.753 119.800 -0.198 0.000 2.140 290 Q HA 0.104 4.454 4.340 0.017 0.000 0.227 290 Q C -0.810 175.155 176.000 -0.058 0.000 0.798 290 Q CA 0.057 55.786 55.803 -0.123 0.000 0.987 290 Q CB 0.883 29.494 28.738 -0.211 0.000 1.161 290 Q HN 0.804 nan 8.270 nan 0.000 0.480 291 D N 1.802 122.174 120.400 -0.047 0.000 2.656 291 D HA 0.162 4.812 4.640 0.017 0.000 0.303 291 D C -2.215 174.070 176.300 -0.026 0.000 1.199 291 D CA -1.313 52.674 54.000 -0.022 0.000 0.797 291 D CB 0.828 41.627 40.800 -0.002 0.000 1.170 291 D HN 0.045 nan 8.370 nan 0.000 0.509 292 P HA 0.340 nan 4.420 nan 0.000 0.281 292 P C 0.002 177.273 177.300 -0.048 0.000 1.264 292 P CA -0.434 62.646 63.100 -0.032 0.000 0.824 292 P CB 0.800 32.487 31.700 -0.022 0.000 1.092 293 T N -1.003 113.540 114.554 -0.018 0.000 2.855 293 T HA 0.311 4.671 4.350 0.017 0.000 0.314 293 T C 0.520 175.192 174.700 -0.047 0.000 1.077 293 T CA -0.602 61.501 62.100 0.004 0.000 1.095 293 T CB 0.105 69.009 68.868 0.060 0.000 0.987 293 T HN 0.256 nan 8.240 nan 0.000 0.546 294 L N 1.666 122.829 121.223 -0.100 0.000 2.322 294 L HA 0.622 4.972 4.340 0.017 0.000 0.279 294 L C 1.197 178.025 176.870 -0.070 0.000 1.036 294 L CA -1.151 53.557 54.840 -0.221 0.000 0.807 294 L CB 1.244 42.857 42.059 -0.743 0.000 1.226 294 L HN 0.986 nan 8.230 nan 0.000 0.433 295 G N 1.144 109.934 108.800 -0.016 0.000 2.547 295 G HA2 0.363 4.333 3.960 0.017 0.000 0.291 295 G HA3 0.363 4.333 3.960 0.017 0.000 0.291 295 G C -1.714 173.255 174.900 0.116 0.000 1.211 295 G CA -0.967 44.171 45.100 0.063 0.000 0.950 295 G HN 0.472 nan 8.290 nan 0.000 0.504 296 P HA -0.107 nan 4.420 nan 0.000 0.219 296 P C 0.726 178.138 177.300 0.186 0.000 1.146 296 P CA 1.167 64.356 63.100 0.149 0.000 0.808 296 P CB 0.166 31.921 31.700 0.092 0.000 0.779 297 N N -0.871 117.943 118.700 0.190 0.000 2.270 297 N HA 0.044 4.794 4.740 0.017 0.000 0.198 297 N C 0.045 175.735 175.510 0.299 0.000 1.117 297 N CA -0.259 52.938 53.050 0.245 0.000 0.845 297 N CB 0.142 38.769 38.487 0.233 0.000 0.980 297 N HN 0.127 nan 8.380 nan 0.000 0.486 298 D N 0.000 120.536 120.400 0.227 0.000 6.856 298 D HA 0.000 4.650 4.640 0.017 0.000 0.175 298 D CA 0.000 54.105 54.000 0.175 0.000 0.868 298 D CB 0.000 40.869 40.800 0.115 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683