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 2cj0_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 0.000 176.647 176.600 0.079 0.000 1.382 1 E CA 0.000 56.455 56.400 0.092 0.000 0.976 1 E CB 0.000 29.741 29.700 0.069 0.000 0.812 2 P HA -0.160 nan 4.420 nan 0.000 0.216 2 P C 1.228 178.551 177.300 0.038 0.000 1.154 2 P CA 1.867 65.008 63.100 0.068 0.000 0.865 2 P CB 0.187 31.926 31.700 0.064 0.000 0.789 3 G N -0.576 108.240 108.800 0.026 0.000 2.744 3 G HA2 -0.135 3.836 3.960 0.017 0.000 0.211 3 G HA3 -0.135 3.836 3.960 0.017 0.000 0.211 3 G C 1.553 176.450 174.900 -0.004 0.000 1.143 3 G CA 0.774 45.876 45.100 0.004 0.000 0.788 3 G HN 0.411 nan 8.290 nan 0.000 0.534 4 S N -0.101 115.607 115.700 0.014 0.000 2.423 4 S HA 0.192 4.672 4.470 0.017 0.000 0.231 4 S C 2.175 176.771 174.600 -0.007 0.000 1.014 4 S CA 1.215 59.425 58.200 0.015 0.000 0.965 4 S CB -0.472 62.754 63.200 0.043 0.000 0.785 4 S HN 1.442 nan 8.310 nan 0.000 0.495 5 G N 1.241 110.029 108.800 -0.019 0.000 2.166 5 G HA2 -0.304 3.667 3.960 0.017 0.000 0.260 5 G HA3 -0.304 3.667 3.960 0.017 0.000 0.260 5 G C 0.618 175.515 174.900 -0.005 0.000 0.986 5 G CA 0.561 45.644 45.100 -0.029 0.000 0.683 5 G HN 0.595 nan 8.290 nan 0.000 0.527 6 I N 0.599 121.136 120.570 -0.054 0.000 2.248 6 I HA -0.117 4.063 4.170 0.017 0.000 0.248 6 I C 2.806 178.705 176.117 -0.363 0.000 1.107 6 I CA 1.848 63.055 61.300 -0.155 0.000 1.373 6 I CB -0.259 37.644 38.000 -0.162 0.000 1.055 6 I HN 0.301 nan 8.210 nan 0.000 0.418 7 G N -0.959 107.617 108.800 -0.373 0.000 2.813 7 G HA2 -0.168 3.802 3.960 0.017 0.000 0.209 7 G HA3 -0.168 3.802 3.960 0.017 0.000 0.209 7 G C 0.484 175.407 174.900 0.038 0.000 1.150 7 G CA -0.234 44.707 45.100 -0.265 0.000 0.785 7 G HN 0.285 nan 8.290 nan 0.000 0.535 8 Y N 2.275 122.524 120.300 -0.085 0.000 2.411 8 Y HA 0.323 4.883 4.550 0.017 0.000 0.333 8 Y C -1.249 174.561 175.900 -0.151 0.000 1.186 8 Y CA -1.864 56.170 58.100 -0.109 0.000 1.381 8 Y CB 1.557 39.961 38.460 -0.094 0.000 1.273 8 Y HN -0.035 nan 8.280 nan 0.000 0.546 9 P HA 0.058 nan 4.420 nan 0.000 0.258 9 P C -0.151 176.656 177.300 -0.821 0.000 1.416 9 P CA 0.567 62.922 63.100 -1.242 0.000 0.927 9 P CB -0.011 30.848 31.700 -1.402 0.000 1.444 10 Y N 0.082 120.156 120.300 -0.377 0.000 2.347 10 Y HA 0.138 4.698 4.550 0.015 0.000 0.294 10 Y C 0.982 176.736 175.900 -0.244 0.000 1.117 10 Y CA 0.712 58.607 58.100 -0.341 0.000 1.184 10 Y CB 0.105 38.326 38.460 -0.399 0.000 1.047 10 Y HN -0.021 nan 8.280 nan 0.000 0.546 11 D N -0.802 119.583 120.400 -0.024 0.000 2.575 11 D HA 0.180 4.831 4.640 0.017 0.000 0.250 11 D C -0.652 175.649 176.300 0.002 0.000 1.279 11 D CA -0.226 53.754 54.000 -0.035 0.000 0.925 11 D CB 0.448 41.272 40.800 0.041 0.000 1.261 11 D HN -0.068 nan 8.370 nan 0.000 0.567 12 N N 2.681 121.375 118.700 -0.011 0.000 2.270 12 N HA 0.072 4.823 4.740 0.017 0.000 0.198 12 N C -0.227 175.325 175.510 0.071 0.000 1.117 12 N CA 0.096 53.179 53.050 0.055 0.000 0.845 12 N CB 0.090 38.600 38.487 0.038 0.000 0.980 12 N HN 0.509 nan 8.380 nan 0.000 0.486 13 N N 0.553 119.309 118.700 0.094 0.000 2.651 13 N HA 0.016 4.766 4.740 0.017 0.000 0.277 13 N C -0.837 174.827 175.510 0.257 0.000 1.787 13 N CA -0.048 53.092 53.050 0.149 0.000 0.818 13 N CB 0.503 39.068 38.487 0.130 0.000 1.316 13 N HN -0.015 nan 8.380 nan 0.000 0.503 14 T N -0.922 113.763 114.554 0.218 0.000 2.849 14 T HA 0.533 4.894 4.350 0.017 0.000 0.284 14 T C 0.151 175.019 174.700 0.281 0.000 1.004 14 T CA -0.375 61.905 62.100 0.300 0.000 1.021 14 T CB 1.660 70.657 68.868 0.214 0.000 1.013 14 T HN 0.096 nan 8.240 nan 0.000 0.527 15 L N 1.742 123.152 121.223 0.313 0.000 2.371 15 L HA 0.548 4.898 4.340 0.017 0.000 0.262 15 L C -2.279 174.714 176.870 0.205 0.000 1.006 15 L CA -2.840 52.088 54.840 0.146 0.000 0.818 15 L CB 2.818 44.861 42.059 -0.026 0.000 1.354 15 L HN 0.544 nan 8.230 nan 0.000 0.415 16 P HA -0.009 nan 4.420 nan 0.000 0.274 16 P C -1.181 176.060 177.300 -0.097 0.000 1.237 16 P CA -0.217 62.953 63.100 0.117 0.000 0.793 16 P CB 0.533 32.272 31.700 0.065 0.000 0.977 17 Y N 1.939 122.035 120.300 -0.339 0.000 2.526 17 Y HA 0.272 4.833 4.550 0.018 0.000 0.330 17 Y C -0.686 175.048 175.900 -0.277 0.000 1.156 17 Y CA 0.383 58.125 58.100 -0.596 0.000 1.419 17 Y CB 0.334 38.583 38.460 -0.353 0.000 1.250 17 Y HN 0.056 nan 8.280 nan 0.000 0.540 18 V N 6.645 126.028 119.914 -0.885 0.000 2.525 18 V HA 0.578 4.708 4.120 0.017 0.000 0.299 18 V C -0.089 175.420 176.094 -0.976 0.000 1.034 18 V CA -0.975 60.905 62.300 -0.700 0.000 0.863 18 V CB 1.076 32.615 31.823 -0.474 0.000 0.999 18 V HN 1.065 nan 8.190 nan 0.000 0.423 19 A N 7.624 129.977 122.820 -0.778 0.000 2.498 19 A HA 0.534 4.864 4.320 0.017 0.000 0.239 19 A C -2.043 175.260 177.584 -0.469 0.000 1.068 19 A CA -0.701 50.980 52.037 -0.593 0.000 0.766 19 A CB -0.204 18.496 19.000 -0.500 0.000 1.003 19 A HN 0.630 nan 8.150 nan 0.000 0.497 20 P HA 0.214 nan 4.420 nan 0.000 0.271 20 P C 0.383 177.541 177.300 -0.236 0.000 1.216 20 P CA 0.303 63.278 63.100 -0.209 0.000 0.776 20 P CB 0.793 32.445 31.700 -0.079 0.000 0.881 21 G N 3.310 112.003 108.800 -0.178 0.000 2.562 21 G HA2 0.284 4.254 3.960 0.017 0.000 0.275 21 G HA3 0.284 4.254 3.960 0.017 0.000 0.275 21 G C -1.420 173.447 174.900 -0.056 0.000 1.196 21 G CA -1.341 43.675 45.100 -0.139 0.000 0.908 21 G HN 0.299 nan 8.290 nan 0.000 0.524 22 P HA -0.145 nan 4.420 nan 0.000 0.218 22 P C 1.675 178.975 177.300 0.000 0.000 1.146 22 P CA 2.042 65.147 63.100 0.007 0.000 0.813 22 P CB 0.011 31.715 31.700 0.006 0.000 0.778 23 T N -5.454 109.090 114.554 -0.016 0.000 3.081 23 T HA 0.069 4.429 4.350 0.017 0.000 0.250 23 T C 0.558 175.250 174.700 -0.012 0.000 1.100 23 T CA -0.276 61.817 62.100 -0.013 0.000 1.038 23 T CB -0.464 68.393 68.868 -0.018 0.000 0.962 23 T HN -0.092 nan 8.240 nan 0.000 0.516 24 D N 2.510 122.899 120.400 -0.018 0.000 2.372 24 D HA 0.267 4.918 4.640 0.017 0.000 0.243 24 D C -0.272 176.026 176.300 -0.002 0.000 1.121 24 D CA 0.179 54.169 54.000 -0.016 0.000 0.898 24 D CB 1.523 42.305 40.800 -0.031 0.000 1.202 24 D HN 0.248 nan 8.370 nan 0.000 0.428 25 S N 1.641 117.340 115.700 -0.002 0.000 2.475 25 S HA 0.382 4.863 4.470 0.017 0.000 0.281 25 S C -0.256 174.346 174.600 0.003 0.000 1.198 25 S CA -0.720 57.480 58.200 0.001 0.000 1.063 25 S CB 0.420 63.618 63.200 -0.004 0.000 0.972 25 S HN 0.214 nan 8.310 nan 0.000 0.486 26 R N 1.752 122.259 120.500 0.011 0.000 2.919 26 R HA 0.775 5.125 4.340 0.017 0.000 0.260 26 R C -0.302 175.999 176.300 0.002 0.000 1.067 26 R CA -0.756 55.352 56.100 0.013 0.000 1.003 26 R CB 1.437 31.760 30.300 0.038 0.000 1.192 26 R HN 0.680 nan 8.270 nan 0.000 0.488 27 A N 1.363 124.180 122.820 -0.005 0.000 2.282 27 A HA 0.598 4.928 4.320 0.017 0.000 0.324 27 A C -1.943 175.615 177.584 -0.043 0.000 1.119 27 A CA -1.348 50.671 52.037 -0.030 0.000 0.880 27 A CB 0.753 19.735 19.000 -0.030 0.000 1.294 27 A HN 0.474 nan 8.150 nan 0.000 0.493 28 P HA 0.078 nan 4.420 nan 0.000 0.249 28 P C 0.095 177.330 177.300 -0.109 0.000 1.241 28 P CA 0.322 63.366 63.100 -0.093 0.000 0.781 28 P CB -0.368 31.268 31.700 -0.107 0.000 1.088 29 C N 2.962 122.214 119.300 -0.079 0.000 2.281 29 C HA 0.456 4.927 4.460 0.017 0.000 0.325 29 C C -1.011 173.949 174.990 -0.051 0.000 1.282 29 C CA -2.535 56.462 59.018 -0.034 0.000 1.640 29 C CB 1.008 28.776 27.740 0.047 0.000 2.288 29 C HN 0.116 nan 8.230 nan 0.000 0.507 30 P HA -0.041 nan 4.420 nan 0.000 0.221 30 P C 1.210 178.676 177.300 0.277 0.000 1.150 30 P CA 1.817 64.758 63.100 -0.264 0.000 0.800 30 P CB 0.124 31.144 31.700 -1.132 0.000 0.787 31 A N 0.464 123.583 122.820 0.499 0.000 1.854 31 A HA -0.070 4.260 4.320 0.017 0.000 0.214 31 A C 2.396 180.156 177.584 0.293 0.000 1.192 31 A CA 1.111 53.499 52.037 0.585 0.000 0.611 31 A CB -1.538 17.888 19.000 0.710 0.000 0.832 31 A HN 0.088 nan 8.150 nan 0.000 0.442 32 L N 0.012 121.388 121.223 0.254 0.000 2.079 32 L HA -0.229 4.122 4.340 0.017 0.000 0.210 32 L C 2.272 179.181 176.870 0.064 0.000 1.081 32 L CA 1.293 56.209 54.840 0.127 0.000 0.752 32 L CB -0.726 41.411 42.059 0.130 0.000 0.896 32 L HN 0.360 nan 8.230 nan 0.000 0.433 33 N N 0.335 119.075 118.700 0.066 0.000 2.120 33 N HA -0.137 4.614 4.740 0.017 0.000 0.188 33 N C 1.910 177.439 175.510 0.032 0.000 1.024 33 N CA 1.537 54.608 53.050 0.035 0.000 0.852 33 N CB -0.373 38.130 38.487 0.027 0.000 1.003 33 N HN 0.314 nan 8.380 nan 0.000 0.424 34 A N 1.156 124.006 122.820 0.050 0.000 1.902 34 A HA -0.058 4.273 4.320 0.017 0.000 0.217 34 A C 2.359 180.000 177.584 0.094 0.000 1.181 34 A CA 0.944 52.964 52.037 -0.029 0.000 0.623 34 A CB -0.750 18.062 19.000 -0.313 0.000 0.818 34 A HN 0.216 nan 8.150 nan 0.000 0.443 35 L N -0.875 120.425 121.223 0.129 0.000 2.046 35 L HA -0.197 4.153 4.340 0.017 0.000 0.208 35 L C 3.101 179.965 176.870 -0.010 0.000 1.077 35 L CA 1.144 56.077 54.840 0.155 0.000 0.747 35 L CB -0.551 41.503 42.059 -0.008 0.000 0.896 35 L HN 0.439 nan 8.230 nan 0.000 0.432 36 A N 0.024 122.810 122.820 -0.056 0.000 1.930 36 A HA -0.186 4.144 4.320 0.017 0.000 0.217 36 A C 1.996 179.434 177.584 -0.242 0.000 1.175 36 A CA 1.657 53.607 52.037 -0.144 0.000 0.627 36 A CB -0.536 18.421 19.000 -0.072 0.000 0.815 36 A HN 0.415 nan 8.150 nan 0.000 0.443 37 N N -0.193 118.406 118.700 -0.168 0.000 2.289 37 N HA -0.123 4.628 4.740 0.017 0.000 0.184 37 N C 1.188 176.436 175.510 -0.436 0.000 1.016 37 N CA 1.172 54.044 53.050 -0.297 0.000 0.872 37 N CB -0.451 37.856 38.487 -0.300 0.000 0.973 37 N HN 0.652 nan 8.380 nan 0.000 0.433 38 H N -1.140 117.689 119.070 -0.401 0.000 2.551 38 H HA 0.187 4.753 4.556 0.017 0.000 0.271 38 H C 1.013 175.809 175.328 -0.888 0.000 0.984 38 H CA 0.632 56.321 56.048 -0.599 0.000 1.164 38 H CB 0.507 29.772 29.762 -0.829 0.000 1.437 38 H HN 0.245 nan 8.280 nan 0.000 0.550 39 G N 1.152 109.359 108.800 -0.989 0.000 2.155 39 G HA2 -0.350 3.620 3.960 0.017 0.000 0.257 39 G HA3 -0.350 3.620 3.960 0.017 0.000 0.257 39 G C 0.450 175.112 174.900 -0.397 0.000 0.983 39 G CA 0.595 45.109 45.100 -0.977 0.000 0.676 39 G HN 0.397 nan 8.290 nan 0.000 0.528 40 Y N 0.050 120.223 120.300 -0.210 0.000 2.373 40 Y HA 0.272 4.833 4.550 0.018 0.000 0.293 40 Y C 2.111 177.958 175.900 -0.087 0.000 1.129 40 Y CA 0.618 58.624 58.100 -0.156 0.000 1.226 40 Y CB -0.174 38.169 38.460 -0.194 0.000 1.000 40 Y HN 0.703 nan 8.280 nan 0.000 0.549 41 I N -3.126 117.456 120.570 0.020 0.000 2.910 41 I HA 0.547 4.727 4.170 0.017 0.000 0.310 41 I C -2.815 173.251 176.117 -0.084 0.000 1.043 41 I CA -2.925 58.373 61.300 -0.003 0.000 1.053 41 I CB 2.043 40.052 38.000 0.015 0.000 1.242 41 I HN -0.378 nan 8.210 nan 0.000 0.452 42 P HA 0.038 nan 4.420 nan 0.000 0.262 42 P C -0.195 177.062 177.300 -0.072 0.000 1.182 42 P CA 0.586 63.660 63.100 -0.044 0.000 0.761 42 P CB 0.180 31.884 31.700 0.007 0.000 0.795 43 H N 2.029 121.059 119.070 -0.067 0.000 2.394 43 H HA -0.214 4.355 4.556 0.020 0.000 0.297 43 H C 1.516 176.791 175.328 -0.088 0.000 1.113 43 H CA 2.186 58.171 56.048 -0.105 0.000 1.277 43 H CB -0.014 29.671 29.762 -0.128 0.000 1.370 43 H HN 0.554 nan 8.280 nan 0.000 0.506 44 D N -0.719 119.718 120.400 0.062 0.000 2.363 44 D HA 0.013 4.664 4.640 0.017 0.000 0.226 44 D C 1.525 177.828 176.300 0.005 0.000 1.020 44 D CA 0.767 54.778 54.000 0.018 0.000 0.892 44 D CB -0.482 40.324 40.800 0.010 0.000 0.900 44 D HN 0.435 nan 8.370 nan 0.000 0.531 45 G N 0.345 109.145 108.800 0.001 0.000 2.198 45 G HA2 -0.330 3.640 3.960 0.017 0.000 0.260 45 G HA3 -0.330 3.640 3.960 0.017 0.000 0.260 45 G C 0.024 174.924 174.900 0.000 0.000 1.025 45 G CA 0.181 45.279 45.100 -0.003 0.000 0.769 45 G HN 0.505 nan 8.290 nan 0.000 0.507 46 R N -0.877 119.627 120.500 0.008 0.000 2.750 46 R HA 0.686 5.037 4.340 0.017 0.000 0.281 46 R C 0.602 176.917 176.300 0.025 0.000 0.972 46 R CA -0.420 55.687 56.100 0.011 0.000 0.912 46 R CB 1.796 32.102 30.300 0.010 0.000 1.187 46 R HN 1.558 nan 8.270 nan 0.000 0.464 47 A N 2.280 125.119 122.820 0.032 0.000 2.546 47 A HA -0.155 4.176 4.320 0.017 0.000 0.295 47 A C -0.330 177.301 177.584 0.077 0.000 1.455 47 A CA 0.393 52.463 52.037 0.056 0.000 0.730 47 A CB -1.883 17.146 19.000 0.048 0.000 1.111 47 A HN 0.605 nan 8.150 nan 0.000 0.411 48 I N 1.709 122.337 120.570 0.096 0.000 2.362 48 I HA 0.449 4.629 4.170 0.017 0.000 0.289 48 I C 0.915 177.166 176.117 0.224 0.000 0.994 48 I CA -0.032 61.343 61.300 0.125 0.000 1.158 48 I CB 1.977 40.034 38.000 0.096 0.000 1.315 48 I HN 0.667 nan 8.210 nan 0.000 0.451 49 S N 5.373 121.195 115.700 0.202 0.000 2.617 49 S HA 0.387 4.867 4.470 0.017 0.000 0.269 49 S C 1.059 175.806 174.600 0.246 0.000 1.292 49 S CA -0.633 57.702 58.200 0.225 0.000 1.010 49 S CB 1.622 64.900 63.200 0.130 0.000 0.944 49 S HN 0.650 nan 8.310 nan 0.000 0.536 50 R N 0.748 121.372 120.500 0.207 0.000 2.091 50 R HA -0.122 4.228 4.340 0.017 0.000 0.238 50 R C 1.981 178.373 176.300 0.154 0.000 1.136 50 R CA 2.045 58.258 56.100 0.188 0.000 0.959 50 R CB -0.428 29.901 30.300 0.048 0.000 0.856 50 R HN 0.732 nan 8.270 nan 0.000 0.437 51 E N -0.592 119.673 120.200 0.108 0.000 2.106 51 E HA -0.093 4.268 4.350 0.017 0.000 0.192 51 E C 1.937 178.602 176.600 0.108 0.000 0.984 51 E CA 1.430 57.885 56.400 0.092 0.000 0.806 51 E CB -0.154 29.583 29.700 0.062 0.000 0.750 51 E HN 0.210 nan 8.360 nan 0.000 0.458 52 T N 0.851 115.477 114.554 0.120 0.000 2.708 52 T HA -0.121 4.240 4.350 0.017 0.000 0.266 52 T C 1.839 176.626 174.700 0.145 0.000 1.037 52 T CA 0.973 63.145 62.100 0.120 0.000 1.146 52 T CB -0.276 68.661 68.868 0.114 0.000 0.865 52 T HN 0.056 nan 8.240 nan 0.000 0.435 53 L N 0.605 121.944 121.223 0.193 0.000 2.017 53 L HA -0.149 4.202 4.340 0.017 0.000 0.208 53 L C 2.939 180.013 176.870 0.340 0.000 1.073 53 L CA 1.454 56.460 54.840 0.277 0.000 0.745 53 L CB -0.550 41.719 42.059 0.350 0.000 0.894 53 L HN 0.290 nan 8.230 nan 0.000 0.432 54 Q N -0.113 119.836 119.800 0.248 0.000 2.061 54 Q HA -0.231 4.119 4.340 0.017 0.000 0.204 54 Q C 2.003 178.099 176.000 0.160 0.000 0.984 54 Q CA 2.096 58.020 55.803 0.203 0.000 0.846 54 Q CB -0.296 28.517 28.738 0.125 0.000 0.902 54 Q HN 0.604 nan 8.270 nan 0.000 0.421 55 N N 0.153 118.920 118.700 0.111 0.000 2.120 55 N HA -0.145 4.605 4.740 0.017 0.000 0.188 55 N C 1.807 177.335 175.510 0.030 0.000 1.024 55 N CA 0.717 53.797 53.050 0.050 0.000 0.852 55 N CB -0.135 38.380 38.487 0.047 0.000 1.003 55 N HN 0.198 nan 8.380 nan 0.000 0.424 56 A N 0.979 123.849 122.820 0.083 0.000 1.877 56 A HA -0.135 4.195 4.320 0.017 0.000 0.216 56 A C 1.828 179.382 177.584 -0.049 0.000 1.186 56 A CA 1.250 53.323 52.037 0.060 0.000 0.620 56 A CB -0.884 18.125 19.000 0.014 0.000 0.822 56 A HN 0.194 nan 8.150 nan 0.000 0.443 57 F N -0.794 119.177 119.950 0.036 0.000 2.134 57 F HA -0.103 4.428 4.527 0.006 0.000 0.299 57 F C 2.085 177.838 175.800 -0.079 0.000 1.097 57 F CA 1.516 59.511 58.000 -0.008 0.000 1.264 57 F CB -0.475 38.526 39.000 0.001 0.000 1.001 57 F HN 0.269 nan 8.300 nan 0.000 0.479 58 L N 0.344 121.626 121.223 0.098 0.000 2.005 58 L HA -0.162 4.188 4.340 0.017 0.000 0.207 58 L C 1.651 178.429 176.870 -0.152 0.000 1.072 58 L CA 2.087 56.916 54.840 -0.019 0.000 0.744 58 L CB -0.976 41.071 42.059 -0.020 0.000 0.895 58 L HN 0.068 nan 8.230 nan 0.000 0.433 59 N N -2.180 116.352 118.700 -0.281 0.000 2.416 59 N HA -0.061 4.689 4.740 0.017 0.000 0.177 59 N C 0.977 176.034 175.510 -0.755 0.000 1.036 59 N CA 0.777 53.507 53.050 -0.534 0.000 0.901 59 N CB 0.053 38.125 38.487 -0.691 0.000 0.976 59 N HN 0.452 nan 8.380 nan 0.000 0.444 60 H N -1.204 117.657 119.070 -0.349 0.000 3.046 60 H HA 0.302 4.867 4.556 0.016 0.000 0.262 60 H C 0.846 175.907 175.328 -0.445 0.000 1.044 60 H CA 0.367 56.111 56.048 -0.506 0.000 1.209 60 H CB 0.752 29.915 29.762 -0.999 0.000 1.507 60 H HN 0.194 nan 8.280 nan 0.000 0.507 61 M N -0.816 118.662 119.600 -0.202 0.000 2.289 61 M HA 0.250 4.740 4.480 0.017 0.000 0.335 61 M C 0.822 177.079 176.300 -0.071 0.000 0.961 61 M CA 0.279 55.509 55.300 -0.118 0.000 1.018 61 M CB 1.967 34.568 32.600 0.001 0.000 1.678 61 M HN 0.226 nan 8.290 nan 0.000 0.589 62 G N 2.392 111.120 108.800 -0.119 0.000 2.273 62 G HA2 -0.203 3.768 3.960 0.017 0.000 0.280 62 G HA3 -0.203 3.768 3.960 0.017 0.000 0.280 62 G C -0.325 174.535 174.900 -0.066 0.000 1.047 62 G CA -0.088 44.935 45.100 -0.127 0.000 0.869 62 G HN 0.393 nan 8.290 nan 0.000 0.502 63 I N 0.714 121.284 120.570 0.000 0.000 2.382 63 I HA 0.616 4.796 4.170 0.017 0.000 0.286 63 I C 0.867 176.989 176.117 0.009 0.000 1.002 63 I CA -0.972 60.331 61.300 0.005 0.000 1.135 63 I CB 0.880 38.896 38.000 0.027 0.000 1.288 63 I HN 0.338 nan 8.210 nan 0.000 0.448 64 A N 5.611 128.425 122.820 -0.009 0.000 2.346 64 A HA 0.271 4.602 4.320 0.017 0.000 0.252 64 A C 1.163 178.753 177.584 0.009 0.000 1.089 64 A CA -0.178 51.861 52.037 0.003 0.000 0.797 64 A CB 0.219 19.221 19.000 0.004 0.000 1.047 64 A HN 0.722 nan 8.150 nan 0.000 0.494 65 N N 0.663 119.376 118.700 0.022 0.000 2.149 65 N HA -0.171 4.580 4.740 0.017 0.000 0.188 65 N C 2.057 177.587 175.510 0.033 0.000 1.019 65 N CA 1.869 54.938 53.050 0.032 0.000 0.857 65 N CB -0.539 37.970 38.487 0.037 0.000 0.997 65 N HN 0.776 nan 8.380 nan 0.000 0.426 66 S N -0.084 115.639 115.700 0.039 0.000 2.400 66 S HA -0.086 4.395 4.470 0.017 0.000 0.232 66 S C 2.066 176.712 174.600 0.077 0.000 1.025 66 S CA 1.004 59.237 58.200 0.055 0.000 0.993 66 S CB -0.737 62.497 63.200 0.057 0.000 0.808 66 S HN 0.066 nan 8.310 nan 0.000 0.478 67 V N 2.688 122.643 119.914 0.068 0.000 2.427 67 V HA -0.038 4.093 4.120 0.017 0.000 0.248 67 V C 2.200 178.370 176.094 0.127 0.000 1.051 67 V CA 1.815 64.187 62.300 0.119 0.000 1.048 67 V CB -0.847 31.000 31.823 0.041 0.000 0.666 67 V HN 0.832 nan 8.190 nan 0.000 0.456 68 I N -2.726 117.851 120.570 0.012 0.000 3.976 68 I HA 0.250 4.431 4.170 0.017 0.000 0.337 68 I C 1.857 178.035 176.117 0.102 0.000 1.359 68 I CA 0.432 61.740 61.300 0.012 0.000 1.098 68 I CB -0.198 37.679 38.000 -0.205 0.000 1.027 68 I HN 0.202 nan 8.210 nan 0.000 0.394 69 E N 1.607 121.865 120.200 0.097 0.000 2.038 69 E HA -0.254 4.106 4.350 0.017 0.000 0.195 69 E C 2.069 178.734 176.600 0.108 0.000 1.000 69 E CA 1.713 58.169 56.400 0.093 0.000 0.803 69 E CB 0.026 29.767 29.700 0.069 0.000 0.750 69 E HN 0.559 nan 8.360 nan 0.000 0.448 70 L N 0.616 121.901 121.223 0.104 0.000 2.109 70 L HA 0.016 4.367 4.340 0.017 0.000 0.207 70 L C 2.210 179.141 176.870 0.101 0.000 1.086 70 L CA 1.953 56.837 54.840 0.074 0.000 0.760 70 L CB -0.639 41.439 42.059 0.031 0.000 0.910 70 L HN 0.172 nan 8.230 nan 0.000 0.437 71 A N -0.476 122.465 122.820 0.201 0.000 1.940 71 A HA -0.185 4.145 4.320 0.017 0.000 0.219 71 A C 2.274 180.104 177.584 0.411 0.000 1.176 71 A CA 2.024 54.286 52.037 0.375 0.000 0.631 71 A CB -0.839 18.470 19.000 0.515 0.000 0.814 71 A HN 0.492 nan 8.150 nan 0.000 0.446 72 L N -1.022 120.389 121.223 0.312 0.000 2.017 72 L HA -0.165 4.186 4.340 0.017 0.000 0.208 72 L C 2.864 179.981 176.870 0.413 0.000 1.073 72 L CA 1.824 56.889 54.840 0.374 0.000 0.745 72 L CB -0.966 41.263 42.059 0.283 0.000 0.894 72 L HN 0.352 nan 8.230 nan 0.000 0.432 73 T N -0.243 114.465 114.554 0.257 0.000 2.635 73 T HA -0.195 4.165 4.350 0.017 0.000 0.267 73 T C 1.703 176.548 174.700 0.243 0.000 1.040 73 T CA 1.759 63.985 62.100 0.210 0.000 1.156 73 T CB -0.289 68.642 68.868 0.106 0.000 0.863 73 T HN 0.285 nan 8.240 nan 0.000 0.430 74 N N 1.152 119.953 118.700 0.169 0.000 2.188 74 N HA 0.032 4.782 4.740 0.017 0.000 0.184 74 N C 2.085 177.812 175.510 0.362 0.000 1.018 74 N CA 1.171 54.295 53.050 0.123 0.000 0.858 74 N CB -0.609 37.682 38.487 -0.325 0.000 0.989 74 N HN 0.434 nan 8.380 nan 0.000 0.426 75 A N 0.295 123.401 122.820 0.477 0.000 1.883 75 A HA -0.106 4.224 4.320 0.017 0.000 0.217 75 A C 1.988 179.625 177.584 0.088 0.000 1.186 75 A CA 1.132 53.360 52.037 0.318 0.000 0.624 75 A CB -0.901 18.210 19.000 0.185 0.000 0.822 75 A HN 0.220 nan 8.150 nan 0.000 0.444 76 F N -0.537 119.538 119.950 0.207 0.000 2.259 76 F HA -0.073 4.472 4.527 0.031 0.000 0.298 76 F C 2.389 178.290 175.800 0.168 0.000 1.088 76 F CA 1.146 59.242 58.000 0.159 0.000 1.358 76 F CB -0.324 38.752 39.000 0.127 0.000 1.040 76 F HN 0.014 nan 8.300 nan 0.000 0.505 77 V N -0.576 119.539 119.914 0.336 0.000 2.287 77 V HA -0.283 3.848 4.120 0.017 0.000 0.248 77 V C 2.260 178.554 176.094 0.334 0.000 1.053 77 V CA 1.684 64.171 62.300 0.312 0.000 1.027 77 V CB -0.736 31.259 31.823 0.287 0.000 0.646 77 V HN 0.154 nan 8.190 nan 0.000 0.447 78 V N -1.192 118.913 119.914 0.318 0.000 2.427 78 V HA -0.292 3.839 4.120 0.017 0.000 0.248 78 V C 2.534 178.692 176.094 0.106 0.000 1.051 78 V CA 2.018 64.460 62.300 0.236 0.000 1.048 78 V CB -0.713 31.269 31.823 0.264 0.000 0.666 78 V HN 0.764 nan 8.190 nan 0.000 0.456 79 c N 0.288 118.925 118.600 0.062 0.000 2.413 79 c HA -0.227 4.353 4.570 0.017 0.000 0.276 79 c C 2.869 176.987 174.090 0.046 0.000 1.236 79 c CA 2.038 58.366 56.329 -0.003 0.000 1.735 79 c CB -0.742 41.716 42.510 -0.086 0.000 2.031 79 c HN 0.755 nan 8.230 nan 0.000 0.474 80 E N -1.478 118.797 120.200 0.125 0.000 2.072 80 E HA -0.247 4.113 4.350 0.017 0.000 0.191 80 E C 2.087 178.764 176.600 0.129 0.000 0.985 80 E CA 1.474 57.954 56.400 0.133 0.000 0.801 80 E CB -0.591 29.213 29.700 0.174 0.000 0.750 80 E HN 0.769 nan 8.360 nan 0.000 0.452 81 Y N 1.041 121.338 120.300 -0.005 0.000 2.097 81 Y HA -0.241 4.319 4.550 0.016 0.000 0.282 81 Y C 2.010 177.832 175.900 -0.129 0.000 1.152 81 Y CA 1.751 59.788 58.100 -0.105 0.000 1.136 81 Y CB -0.693 37.556 38.460 -0.353 0.000 0.975 81 Y HN -0.046 nan 8.280 nan 0.000 0.498 82 V N 0.109 119.812 119.914 -0.353 0.000 2.358 82 V HA -0.254 3.876 4.120 0.017 0.000 0.246 82 V C 2.490 178.451 176.094 -0.222 0.000 1.047 82 V CA 2.518 64.568 62.300 -0.416 0.000 1.035 82 V CB -1.234 30.420 31.823 -0.282 0.000 0.658 82 V HN 0.694 nan 8.190 nan 0.000 0.452 83 T N -3.008 111.478 114.554 -0.113 0.000 3.054 83 T HA 0.249 4.610 4.350 0.017 0.000 0.259 83 T C 1.632 176.310 174.700 -0.037 0.000 1.092 83 T CA 1.085 63.148 62.100 -0.062 0.000 1.121 83 T CB 0.559 69.412 68.868 -0.024 0.000 0.912 83 T HN 0.956 nan 8.240 nan 0.000 0.489 84 G N 1.102 109.888 108.800 -0.023 0.000 2.176 84 G HA2 -0.199 3.772 3.960 0.017 0.000 0.253 84 G HA3 -0.199 3.772 3.960 0.017 0.000 0.253 84 G C 0.201 175.121 174.900 0.033 0.000 0.979 84 G CA 0.365 45.470 45.100 0.008 0.000 0.641 84 G HN 1.543 nan 8.290 nan 0.000 0.530 85 S N -0.930 114.795 115.700 0.041 0.000 2.579 85 S HA 0.578 5.058 4.470 0.017 0.000 0.272 85 S C -0.952 173.695 174.600 0.078 0.000 1.141 85 S CA -0.272 57.961 58.200 0.056 0.000 0.843 85 S CB 2.443 65.669 63.200 0.043 0.000 1.122 85 S HN 0.349 nan 8.310 nan 0.000 0.468 86 D N 0.142 120.594 120.400 0.087 0.000 2.531 86 D HA 0.048 4.699 4.640 0.017 0.000 0.239 86 D C 0.554 176.931 176.300 0.128 0.000 1.144 86 D CA -0.128 53.939 54.000 0.112 0.000 0.869 86 D CB 0.482 41.336 40.800 0.090 0.000 1.160 86 D HN 0.603 nan 8.370 nan 0.000 0.484 87 c N 3.629 122.345 118.600 0.194 0.000 2.626 87 c HA 0.342 4.923 4.570 0.017 0.000 0.266 87 c C 1.740 175.994 174.090 0.274 0.000 1.317 87 c CA 0.050 56.519 56.329 0.232 0.000 1.716 87 c CB -1.325 41.340 42.510 0.258 0.000 1.819 87 c HN 0.894 nan 8.230 nan 0.000 0.578 88 G N 1.805 110.716 108.800 0.185 0.000 2.665 88 G HA2 -0.379 3.592 3.960 0.017 0.000 0.326 88 G HA3 -0.379 3.592 3.960 0.017 0.000 0.326 88 G C 0.286 175.171 174.900 -0.026 0.000 1.231 88 G CA 1.181 46.325 45.100 0.073 0.000 0.992 88 G HN 0.460 nan 8.290 nan 0.000 0.549 89 D N 0.177 120.581 120.400 0.007 0.000 2.696 89 D HA 0.486 5.137 4.640 0.017 0.000 0.269 89 D C -0.141 176.278 176.300 0.198 0.000 1.319 89 D CA 0.811 54.770 54.000 -0.068 0.000 0.826 89 D CB -0.024 40.719 40.800 -0.094 0.000 1.086 89 D HN 0.448 nan 8.370 nan 0.000 0.481 90 S N 0.830 116.750 115.700 0.366 0.000 2.524 90 S HA 0.308 4.788 4.470 0.017 0.000 0.227 90 S C -0.891 173.887 174.600 0.296 0.000 1.304 90 S CA -0.710 57.667 58.200 0.295 0.000 1.185 90 S CB -0.008 63.289 63.200 0.162 0.000 1.104 90 S HN 0.247 nan 8.310 nan 0.000 0.475 91 L N 6.571 127.926 121.223 0.220 0.000 2.534 91 L HA 0.198 4.549 4.340 0.017 0.000 0.271 91 L C 1.313 178.155 176.870 -0.047 0.000 1.178 91 L CA 0.690 55.433 54.840 -0.162 0.000 0.907 91 L CB 0.548 42.401 42.059 -0.343 0.000 1.164 91 L HN 0.547 nan 8.230 nan 0.000 0.482 92 V N 3.891 123.775 119.914 -0.049 0.000 2.287 92 V HA -0.165 3.965 4.120 0.017 0.000 0.248 92 V C 0.707 176.789 176.094 -0.020 0.000 1.053 92 V CA 2.032 64.325 62.300 -0.013 0.000 1.027 92 V CB -0.962 30.854 31.823 -0.012 0.000 0.646 92 V HN 1.080 nan 8.190 nan 0.000 0.447 93 N N -2.819 115.855 118.700 -0.044 0.000 3.106 93 N HA 0.284 5.034 4.740 0.017 0.000 0.253 93 N C -0.229 175.252 175.510 -0.049 0.000 1.506 93 N CA -0.755 52.274 53.050 -0.034 0.000 0.876 93 N CB 0.885 39.358 38.487 -0.022 0.000 1.452 93 N HN -0.092 nan 8.380 nan 0.000 0.542 94 L N -0.596 120.607 121.223 -0.033 0.000 2.270 94 L HA 0.063 4.413 4.340 0.017 0.000 0.210 94 L C 1.505 178.350 176.870 -0.042 0.000 1.104 94 L CA 1.073 55.892 54.840 -0.036 0.000 0.804 94 L CB -0.437 41.611 42.059 -0.017 0.000 0.937 94 L HN 0.694 nan 8.230 nan 0.000 0.450 95 T N 1.195 115.731 114.554 -0.031 0.000 2.821 95 T HA -0.134 4.227 4.350 0.017 0.000 0.267 95 T C 1.792 176.468 174.700 -0.039 0.000 1.046 95 T CA 1.451 63.535 62.100 -0.026 0.000 1.139 95 T CB -0.249 68.612 68.868 -0.011 0.000 0.871 95 T HN 0.301 nan 8.240 nan 0.000 0.454 96 L N 0.166 121.358 121.223 -0.051 0.000 2.265 96 L HA 0.113 4.464 4.340 0.017 0.000 0.215 96 L C 1.910 178.743 176.870 -0.061 0.000 1.117 96 L CA 1.436 56.236 54.840 -0.067 0.000 0.782 96 L CB -1.263 40.749 42.059 -0.078 0.000 0.914 96 L HN 0.159 nan 8.230 nan 0.000 0.441 97 L N 0.360 121.545 121.223 -0.064 0.000 2.456 97 L HA -0.015 4.335 4.340 0.017 0.000 0.224 97 L C 2.432 179.262 176.870 -0.068 0.000 1.148 97 L CA 0.700 55.495 54.840 -0.074 0.000 0.825 97 L CB -0.651 41.320 42.059 -0.147 0.000 0.937 97 L HN 0.486 nan 8.230 nan 0.000 0.450 98 A N -0.429 122.355 122.820 -0.059 0.000 2.302 98 A HA 0.002 4.332 4.320 0.017 0.000 0.219 98 A C 0.751 178.296 177.584 -0.065 0.000 1.243 98 A CA -0.216 51.789 52.037 -0.053 0.000 0.856 98 A CB -0.446 18.535 19.000 -0.033 0.000 0.893 98 A HN 0.251 nan 8.150 nan 0.000 0.491 99 E N 2.370 122.534 120.200 -0.061 0.000 2.493 99 E HA 0.120 4.481 4.350 0.017 0.000 0.255 99 E C -2.263 174.299 176.600 -0.065 0.000 0.999 99 E CA -1.835 54.513 56.400 -0.088 0.000 0.934 99 E CB 0.434 30.089 29.700 -0.075 0.000 0.940 99 E HN 0.304 nan 8.360 nan 0.000 0.473 100 P HA 0.043 nan 4.420 nan 0.000 0.274 100 P C -0.723 176.567 177.300 -0.017 0.000 1.246 100 P CA -0.030 62.914 63.100 -0.261 0.000 0.795 100 P CB 0.273 31.505 31.700 -0.780 0.000 1.006 101 H N -1.227 117.839 119.070 -0.007 0.000 2.626 101 H HA -0.179 4.387 4.556 0.017 0.000 0.317 101 H C 0.568 176.013 175.328 0.196 0.000 1.140 101 H CA 0.158 56.202 56.048 -0.006 0.000 1.134 101 H CB -1.413 28.255 29.762 -0.157 0.000 1.486 101 H HN 0.632 nan 8.280 nan 0.000 0.417 102 A N -0.012 123.026 122.820 0.364 0.000 2.254 102 A HA 0.369 4.700 4.320 0.017 0.000 0.186 102 A C 0.754 178.603 177.584 0.442 0.000 1.413 102 A CA 0.061 52.406 52.037 0.512 0.000 1.742 102 A CB -0.405 18.850 19.000 0.426 0.000 2.016 102 A HN 0.121 nan 8.150 nan 0.000 0.796 103 F N 1.189 121.295 119.950 0.260 0.000 2.147 103 F HA 0.241 4.776 4.527 0.013 0.000 0.291 103 F C 1.057 176.971 175.800 0.189 0.000 1.093 103 F CA 1.098 59.224 58.000 0.210 0.000 1.263 103 F CB -0.188 38.923 39.000 0.185 0.000 1.036 103 F HN 0.372 nan 8.300 nan 0.000 0.481 104 E N 1.238 121.632 120.200 0.325 0.000 2.442 104 E HA 0.010 4.371 4.350 0.017 0.000 0.262 104 E C -1.088 175.587 176.600 0.126 0.000 1.004 104 E CA 0.385 56.833 56.400 0.079 0.000 0.928 104 E CB 0.266 29.956 29.700 -0.017 0.000 0.937 104 E HN 0.593 nan 8.360 nan 0.000 0.446 105 H N 0.249 119.357 119.070 0.063 0.000 2.977 105 H HA 0.440 5.006 4.556 0.016 0.000 0.350 105 H C -0.783 174.494 175.328 -0.084 0.000 1.238 105 H CA -1.020 55.022 56.048 -0.009 0.000 1.124 105 H CB 0.429 30.138 29.762 -0.088 0.000 1.866 105 H HN 0.192 nan 8.280 nan 0.000 0.550 106 D N -0.011 120.402 120.400 0.023 0.000 2.371 106 D HA 0.092 4.742 4.640 0.017 0.000 0.242 106 D C 0.188 176.337 176.300 -0.251 0.000 1.218 106 D CA 0.986 54.986 54.000 0.000 0.000 0.945 106 D CB -0.066 40.729 40.800 -0.008 0.000 1.137 106 D HN 1.050 nan 8.370 nan 0.000 0.464 107 H N -2.699 116.524 119.070 0.254 0.000 2.713 107 H HA -0.157 4.409 4.556 0.018 0.000 0.311 107 H C -0.652 174.733 175.328 0.095 0.000 1.175 107 H CA 0.558 56.739 56.048 0.222 0.000 1.143 107 H CB -2.421 27.521 29.762 0.301 0.000 1.434 107 H HN 0.034 nan 8.280 nan 0.000 0.418 108 S N -0.414 115.292 115.700 0.011 0.000 2.584 108 S HA 0.175 4.655 4.470 0.017 0.000 0.270 108 S C 1.140 175.776 174.600 0.061 0.000 1.346 108 S CA -0.109 58.070 58.200 -0.034 0.000 1.018 108 S CB 0.214 63.367 63.200 -0.078 0.000 0.899 108 S HN 0.360 nan 8.310 nan 0.000 0.542 109 F N 1.213 121.366 119.950 0.338 0.000 2.234 109 F HA -0.028 4.508 4.527 0.016 0.000 0.299 109 F C 2.289 178.304 175.800 0.357 0.000 1.087 109 F CA 1.044 59.293 58.000 0.415 0.000 1.340 109 F CB -0.207 39.177 39.000 0.639 0.000 1.031 109 F HN 0.641 nan 8.300 nan 0.000 0.500 110 S N -2.329 113.608 115.700 0.396 0.000 2.911 110 S HA 0.420 4.901 4.470 0.017 0.000 0.261 110 S C 0.156 174.675 174.600 -0.136 0.000 1.021 110 S CA -0.640 57.637 58.200 0.128 0.000 1.222 110 S CB 0.310 63.565 63.200 0.092 0.000 1.171 110 S HN 0.003 nan 8.310 nan 0.000 0.669 111 R N 1.746 122.213 120.500 -0.055 0.000 2.750 111 R HA 0.602 4.952 4.340 0.017 0.000 0.281 111 R C -0.801 175.470 176.300 -0.048 0.000 0.972 111 R CA -0.547 55.491 56.100 -0.104 0.000 0.912 111 R CB 1.115 31.361 30.300 -0.090 0.000 1.187 111 R HN 0.179 nan 8.270 nan 0.000 0.464 112 K N 0.995 121.360 120.400 -0.058 0.000 2.219 112 K HA 0.153 4.484 4.320 0.017 0.000 0.258 112 K C -0.452 176.165 176.600 0.027 0.000 1.008 112 K CA -0.419 55.860 56.287 -0.012 0.000 0.928 112 K CB 0.429 32.905 32.500 -0.040 0.000 0.983 112 K HN 0.441 nan 8.250 nan 0.000 0.484 113 D N 0.517 120.965 120.400 0.081 0.000 2.339 113 D HA -0.028 4.623 4.640 0.017 0.000 0.245 113 D C 0.768 177.090 176.300 0.035 0.000 1.115 113 D CA -0.049 54.036 54.000 0.143 0.000 0.917 113 D CB 0.397 41.380 40.800 0.304 0.000 1.192 113 D HN 0.439 nan 8.370 nan 0.000 0.428 114 Y N 1.307 121.512 120.300 -0.159 0.000 2.193 114 Y HA -0.210 4.351 4.550 0.018 0.000 0.285 114 Y C 1.173 176.738 175.900 -0.559 0.000 1.166 114 Y CA 1.711 59.581 58.100 -0.384 0.000 1.181 114 Y CB 0.290 38.409 38.460 -0.568 0.000 0.976 114 Y HN 0.222 nan 8.280 nan 0.000 0.520 115 K N 0.649 120.584 120.400 -0.776 0.000 2.726 115 K HA 0.086 4.417 4.320 0.017 0.000 0.209 115 K C -0.302 176.190 176.600 -0.181 0.000 1.082 115 K CA -0.206 55.718 56.287 -0.606 0.000 1.081 115 K CB 0.480 32.501 32.500 -0.798 0.000 0.830 115 K HN 0.240 nan 8.250 nan 0.000 0.470 116 Q N 0.476 120.219 119.800 -0.095 0.000 2.286 116 Q HA 0.069 4.419 4.340 0.017 0.000 0.267 116 Q C 0.718 176.718 176.000 -0.000 0.000 1.028 116 Q CA 0.797 56.614 55.803 0.023 0.000 0.901 116 Q CB 0.437 29.198 28.738 0.038 0.000 1.183 116 Q HN 0.588 nan 8.270 nan 0.000 0.392 117 G N 2.641 111.469 108.800 0.048 0.000 2.187 117 G HA2 -0.288 3.683 3.960 0.017 0.000 0.261 117 G HA3 -0.288 3.683 3.960 0.017 0.000 0.261 117 G C 0.123 175.041 174.900 0.030 0.000 1.000 117 G CA 0.372 45.493 45.100 0.035 0.000 0.718 117 G HN 0.935 nan 8.290 nan 0.000 0.519 118 V N -2.505 117.435 119.914 0.043 0.000 2.686 118 V HA 0.773 4.904 4.120 0.017 0.000 0.295 118 V C 1.474 177.639 176.094 0.118 0.000 1.055 118 V CA 0.482 62.783 62.300 0.002 0.000 1.050 118 V CB 1.032 32.775 31.823 -0.132 0.000 0.984 118 V HN 1.252 nan 8.190 nan 0.000 0.482 119 A N 3.751 126.600 122.820 0.048 0.000 1.929 119 A HA 0.087 4.418 4.320 0.017 0.000 0.216 119 A C 1.041 178.714 177.584 0.148 0.000 1.176 119 A CA 1.247 53.340 52.037 0.092 0.000 0.628 119 A CB -0.759 18.258 19.000 0.028 0.000 0.816 119 A HN 0.938 nan 8.150 nan 0.000 0.444 120 N N -2.250 116.448 118.700 -0.003 0.000 2.328 120 N HA 0.355 5.105 4.740 0.017 0.000 0.299 120 N C 0.835 176.006 175.510 -0.565 0.000 1.179 120 N CA 0.334 53.319 53.050 -0.107 0.000 0.793 120 N CB 1.744 40.186 38.487 -0.075 0.000 1.366 120 N HN 0.098 nan 8.380 nan 0.000 0.493 121 S N 0.461 115.735 115.700 -0.710 0.000 2.428 121 S HA -0.056 4.425 4.470 0.017 0.000 0.230 121 S C 0.758 175.089 174.600 -0.449 0.000 1.014 121 S CA 1.156 58.735 58.200 -1.034 0.000 0.957 121 S CB -0.384 62.560 63.200 -0.426 0.000 0.784 121 S HN 0.578 nan 8.310 nan 0.000 0.499 122 N N 1.278 119.836 118.700 -0.237 0.000 2.412 122 N HA 0.093 4.843 4.740 0.017 0.000 0.184 122 N C -0.658 174.814 175.510 -0.063 0.000 1.101 122 N CA 0.158 53.161 53.050 -0.079 0.000 0.881 122 N CB 0.146 38.618 38.487 -0.025 0.000 0.969 122 N HN 0.453 nan 8.380 nan 0.000 0.459 123 D N 0.371 120.650 120.400 -0.202 0.000 2.329 123 D HA 0.238 4.889 4.640 0.017 0.000 0.246 123 D C -0.261 175.875 176.300 -0.274 0.000 1.111 123 D CA 0.108 53.965 54.000 -0.240 0.000 0.941 123 D CB 0.913 41.549 40.800 -0.272 0.000 1.169 123 D HN 0.063 nan 8.370 nan 0.000 0.441 124 F N -1.300 118.342 119.950 -0.514 0.000 2.686 124 F HA 0.634 5.172 4.527 0.018 0.000 0.311 124 F C -1.055 174.408 175.800 -0.562 0.000 1.128 124 F CA -1.188 56.316 58.000 -0.826 0.000 0.946 124 F CB 0.850 38.938 39.000 -1.519 0.000 1.336 124 F HN 0.293 nan 8.300 nan 0.000 0.457 125 I N -1.762 118.565 120.570 -0.405 0.000 3.457 125 I HA 0.592 4.772 4.170 0.017 0.000 0.307 125 I C -1.092 174.969 176.117 -0.094 0.000 1.138 125 I CA -1.002 60.139 61.300 -0.265 0.000 0.974 125 I CB 1.754 39.627 38.000 -0.212 0.000 1.324 125 I HN 0.610 nan 8.210 nan 0.000 0.485 126 D N 2.725 123.083 120.400 -0.070 0.000 2.348 126 D HA 0.039 4.689 4.640 0.017 0.000 0.259 126 D C 0.112 176.405 176.300 -0.011 0.000 1.296 126 D CA 0.050 54.043 54.000 -0.011 0.000 0.931 126 D CB 0.097 40.878 40.800 -0.031 0.000 1.067 126 D HN 0.662 nan 8.370 nan 0.000 0.503 127 N N 3.376 122.103 118.700 0.044 0.000 2.276 127 N HA -0.009 4.741 4.740 0.017 0.000 0.212 127 N C 0.987 176.493 175.510 -0.007 0.000 1.127 127 N CA -0.166 52.903 53.050 0.032 0.000 0.834 127 N CB 0.353 38.904 38.487 0.108 0.000 1.014 127 N HN 0.415 nan 8.380 nan 0.000 0.491 128 R N -0.053 120.440 120.500 -0.012 0.000 2.197 128 R HA 0.218 4.569 4.340 0.017 0.000 0.188 128 R C -0.284 175.989 176.300 -0.046 0.000 1.015 128 R CA -0.163 55.921 56.100 -0.027 0.000 1.132 128 R CB 0.138 30.438 30.300 0.001 0.000 1.134 128 R HN 0.010 nan 8.270 nan 0.000 0.560 129 N N 1.260 119.939 118.700 -0.036 0.000 2.508 129 N HA -0.041 4.709 4.740 0.017 0.000 0.264 129 N C -0.765 174.649 175.510 -0.159 0.000 1.216 129 N CA -0.012 53.012 53.050 -0.042 0.000 0.943 129 N CB 0.389 38.889 38.487 0.021 0.000 1.113 129 N HN 0.043 nan 8.380 nan 0.000 0.447 130 F N 1.264 120.939 119.950 -0.459 0.000 2.623 130 F HA -0.092 4.446 4.527 0.017 0.000 0.383 130 F C 0.448 175.924 175.800 -0.540 0.000 1.077 130 F CA 0.051 57.670 58.000 -0.634 0.000 1.268 130 F CB 0.241 38.617 39.000 -1.040 0.000 1.053 130 F HN 0.393 nan 8.300 nan 0.000 0.571 131 D N 5.200 124.936 120.400 -1.107 0.000 2.453 131 D HA 0.470 5.120 4.640 0.017 0.000 0.238 131 D C 0.579 176.303 176.300 -0.961 0.000 1.088 131 D CA 0.044 53.585 54.000 -0.764 0.000 0.854 131 D CB 1.552 42.118 40.800 -0.389 0.000 1.076 131 D HN 0.654 nan 8.370 nan 0.000 0.533 132 A N 3.619 126.004 122.820 -0.723 0.000 1.908 132 A HA -0.210 4.120 4.320 0.017 0.000 0.218 132 A C 1.914 179.393 177.584 -0.174 0.000 1.181 132 A CA 1.769 53.590 52.037 -0.360 0.000 0.627 132 A CB -0.485 18.518 19.000 0.006 0.000 0.818 132 A HN 0.640 nan 8.150 nan 0.000 0.445 133 E N -0.359 119.746 120.200 -0.158 0.000 2.051 133 E HA -0.132 4.229 4.350 0.017 0.000 0.192 133 E C 2.038 178.592 176.600 -0.077 0.000 0.991 133 E CA 2.120 58.465 56.400 -0.093 0.000 0.799 133 E CB -0.638 29.014 29.700 -0.079 0.000 0.748 133 E HN 0.503 nan 8.360 nan 0.000 0.449 134 T N 0.403 114.895 114.554 -0.103 0.000 2.684 134 T HA -0.161 4.199 4.350 0.017 0.000 0.267 134 T C 1.418 176.149 174.700 0.052 0.000 1.036 134 T CA 1.347 63.427 62.100 -0.032 0.000 1.148 134 T CB -0.552 68.285 68.868 -0.052 0.000 0.863 134 T HN 0.210 nan 8.240 nan 0.000 0.436 135 F N 1.995 121.822 119.950 -0.205 0.000 2.171 135 F HA -0.039 4.499 4.527 0.019 0.000 0.300 135 F C 2.457 178.188 175.800 -0.115 0.000 1.090 135 F CA 0.961 58.878 58.000 -0.138 0.000 1.293 135 F CB -0.716 38.200 39.000 -0.140 0.000 1.013 135 F HN 0.036 nan 8.300 nan 0.000 0.486 136 Q N 0.222 119.951 119.800 -0.119 0.000 2.170 136 Q HA -0.165 4.186 4.340 0.017 0.000 0.203 136 Q C 2.300 178.214 176.000 -0.143 0.000 0.976 136 Q CA 2.535 58.225 55.803 -0.187 0.000 0.858 136 Q CB -0.739 27.939 28.738 -0.099 0.000 0.907 136 Q HN 0.532 nan 8.270 nan 0.000 0.433 137 T N -3.192 111.325 114.554 -0.063 0.000 2.833 137 T HA -0.066 4.295 4.350 0.017 0.000 0.269 137 T C 1.998 176.697 174.700 -0.002 0.000 1.054 137 T CA 1.421 63.510 62.100 -0.019 0.000 1.135 137 T CB -0.393 68.486 68.868 0.018 0.000 0.869 137 T HN 0.150 nan 8.240 nan 0.000 0.466 138 S N 1.681 117.388 115.700 0.010 0.000 2.355 138 S HA 0.167 4.647 4.470 0.017 0.000 0.222 138 S C 1.968 176.504 174.600 -0.106 0.000 1.031 138 S CA 1.052 59.286 58.200 0.057 0.000 0.993 138 S CB -0.521 62.820 63.200 0.235 0.000 0.859 138 S HN 0.427 nan 8.310 nan 0.000 0.453 139 L N 1.512 122.536 121.223 -0.331 0.000 2.131 139 L HA -0.130 4.221 4.340 0.017 0.000 0.210 139 L C 1.992 178.762 176.870 -0.166 0.000 1.092 139 L CA 0.889 55.531 54.840 -0.330 0.000 0.759 139 L CB -0.648 41.097 42.059 -0.523 0.000 0.903 139 L HN 0.180 nan 8.230 nan 0.000 0.435 140 D N -0.158 120.164 120.400 -0.130 0.000 2.182 140 D HA -0.151 4.499 4.640 0.017 0.000 0.201 140 D C 2.305 178.573 176.300 -0.053 0.000 0.986 140 D CA 1.081 55.035 54.000 -0.076 0.000 0.847 140 D CB -0.113 40.653 40.800 -0.056 0.000 0.942 140 D HN 0.122 nan 8.370 nan 0.000 0.467 141 V N 0.689 120.572 119.914 -0.052 0.000 2.490 141 V HA -0.171 3.960 4.120 0.017 0.000 0.250 141 V C 2.029 178.093 176.094 -0.050 0.000 1.061 141 V CA 1.549 63.825 62.300 -0.041 0.000 1.064 141 V CB -0.400 31.400 31.823 -0.038 0.000 0.670 141 V HN 0.202 nan 8.190 nan 0.000 0.461 142 V N -2.290 117.584 119.914 -0.067 0.000 3.006 142 V HA 0.690 4.821 4.120 0.017 0.000 0.357 142 V C 0.711 176.806 176.094 0.001 0.000 1.377 142 V CA -0.484 61.798 62.300 -0.029 0.000 1.198 142 V CB -0.443 31.354 31.823 -0.044 0.000 1.216 142 V HN 0.239 nan 8.190 nan 0.000 0.520 143 A N 0.885 123.695 122.820 -0.018 0.000 2.561 143 A HA 0.467 4.797 4.320 0.017 0.000 0.234 143 A C 1.728 179.316 177.584 0.006 0.000 1.055 143 A CA 1.048 53.077 52.037 -0.014 0.000 0.756 143 A CB -0.622 18.365 19.000 -0.023 0.000 0.986 143 A HN 2.124 nan 8.150 nan 0.000 0.505 144 G N 1.282 110.088 108.800 0.009 0.000 2.179 144 G HA2 -0.239 3.731 3.960 0.017 0.000 0.260 144 G HA3 -0.239 3.731 3.960 0.017 0.000 0.260 144 G C 0.193 175.112 174.900 0.031 0.000 0.977 144 G CA 0.966 46.076 45.100 0.017 0.000 0.641 144 G HN 0.910 nan 8.290 nan 0.000 0.533 145 K N -0.431 119.996 120.400 0.046 0.000 2.221 145 K HA 0.647 4.978 4.320 0.017 0.000 0.243 145 K C 1.488 178.133 176.600 0.074 0.000 0.968 145 K CA -0.100 56.230 56.287 0.072 0.000 0.846 145 K CB 1.431 33.994 32.500 0.103 0.000 1.141 145 K HN 0.175 nan 8.250 nan 0.000 0.434 146 T N -2.661 111.949 114.554 0.094 0.000 3.040 146 T HA 0.120 4.481 4.350 0.017 0.000 0.252 146 T C 0.244 174.893 174.700 -0.086 0.000 1.064 146 T CA 0.439 62.563 62.100 0.040 0.000 1.110 146 T CB -0.083 68.844 68.868 0.099 0.000 0.921 146 T HN 0.502 nan 8.240 nan 0.000 0.480 147 H N 0.324 119.373 119.070 -0.035 0.000 2.865 147 H HA 0.663 5.229 4.556 0.017 0.000 0.372 147 H C -1.165 174.183 175.328 0.034 0.000 1.173 147 H CA -1.356 54.627 56.048 -0.107 0.000 1.147 147 H CB 1.639 31.305 29.762 -0.158 0.000 1.805 147 H HN 0.351 nan 8.280 nan 0.000 0.553 148 F N -0.805 119.167 119.950 0.036 0.000 2.645 148 F HA 0.604 5.142 4.527 0.017 0.000 0.310 148 F C -1.210 174.625 175.800 0.058 0.000 1.102 148 F CA -1.128 56.888 58.000 0.027 0.000 0.952 148 F CB 1.194 40.195 39.000 0.003 0.000 1.326 148 F HN 0.531 nan 8.300 nan 0.000 0.456 149 D N 0.078 120.717 120.400 0.399 0.000 2.616 149 D HA 0.273 4.924 4.640 0.017 0.000 0.260 149 D C 0.599 177.195 176.300 0.494 0.000 1.158 149 D CA -0.440 53.730 54.000 0.284 0.000 1.085 149 D CB 0.019 40.876 40.800 0.094 0.000 1.222 149 D HN 0.464 nan 8.370 nan 0.000 0.626 150 Y N -0.167 120.270 120.300 0.227 0.000 2.165 150 Y HA -0.024 4.536 4.550 0.017 0.000 0.286 150 Y C 2.683 178.670 175.900 0.144 0.000 1.155 150 Y CA 1.622 59.766 58.100 0.074 0.000 1.164 150 Y CB -1.279 37.090 38.460 -0.151 0.000 0.978 150 Y HN 0.543 nan 8.280 nan 0.000 0.513 151 A N 0.126 123.113 122.820 0.278 0.000 1.908 151 A HA -0.199 4.131 4.320 0.017 0.000 0.218 151 A C 2.021 179.707 177.584 0.170 0.000 1.181 151 A CA 2.023 54.168 52.037 0.180 0.000 0.627 151 A CB -0.728 18.349 19.000 0.128 0.000 0.818 151 A HN 0.401 nan 8.150 nan 0.000 0.445 152 D N -0.921 119.603 120.400 0.206 0.000 2.117 152 D HA -0.157 4.493 4.640 0.017 0.000 0.197 152 D C 1.828 178.162 176.300 0.057 0.000 0.987 152 D CA 1.806 55.877 54.000 0.119 0.000 0.829 152 D CB -0.336 40.556 40.800 0.153 0.000 0.961 152 D HN 0.452 nan 8.370 nan 0.000 0.460 153 M N 1.172 120.912 119.600 0.233 0.000 2.175 153 M HA -0.120 4.370 4.480 0.017 0.000 0.264 153 M C 1.507 177.947 176.300 0.234 0.000 1.063 153 M CA 1.245 56.680 55.300 0.226 0.000 1.119 153 M CB -0.394 32.568 32.600 0.603 0.000 1.377 153 M HN -0.185 nan 8.290 nan 0.000 0.415 154 N N 0.248 119.075 118.700 0.213 0.000 2.120 154 N HA -0.167 4.584 4.740 0.017 0.000 0.188 154 N C 1.506 177.089 175.510 0.121 0.000 1.024 154 N CA 1.593 54.737 53.050 0.156 0.000 0.852 154 N CB -0.151 38.403 38.487 0.112 0.000 1.003 154 N HN 0.426 nan 8.380 nan 0.000 0.424 155 E N 0.261 120.518 120.200 0.095 0.000 2.077 155 E HA -0.125 4.236 4.350 0.017 0.000 0.193 155 E C 2.181 178.830 176.600 0.082 0.000 0.989 155 E CA 0.659 57.098 56.400 0.066 0.000 0.800 155 E CB -0.219 29.506 29.700 0.041 0.000 0.746 155 E HN 0.518 nan 8.360 nan 0.000 0.452 156 I N 1.322 121.950 120.570 0.096 0.000 2.127 156 I HA -0.324 3.857 4.170 0.017 0.000 0.241 156 I C 2.626 178.909 176.117 0.277 0.000 1.075 156 I CA 1.756 63.158 61.300 0.170 0.000 1.334 156 I CB -0.294 37.805 38.000 0.166 0.000 1.040 156 I HN 0.082 nan 8.210 nan 0.000 0.405 157 R N 1.563 122.260 120.500 0.328 0.000 2.115 157 R HA -0.095 4.255 4.340 0.017 0.000 0.230 157 R C 1.933 178.298 176.300 0.108 0.000 1.111 157 R CA 1.432 57.680 56.100 0.247 0.000 0.976 157 R CB -1.154 29.298 30.300 0.254 0.000 0.870 157 R HN 0.301 nan 8.270 nan 0.000 0.445 158 L N 0.459 121.735 121.223 0.088 0.000 2.056 158 L HA -0.118 4.232 4.340 0.017 0.000 0.207 158 L C 2.970 179.857 176.870 0.028 0.000 1.078 158 L CA 1.862 56.721 54.840 0.032 0.000 0.749 158 L CB -0.556 41.520 42.059 0.028 0.000 0.901 158 L HN 0.389 nan 8.230 nan 0.000 0.433 159 Q N -0.197 119.636 119.800 0.056 0.000 2.096 159 Q HA -0.210 4.141 4.340 0.017 0.000 0.204 159 Q C 2.395 178.433 176.000 0.063 0.000 0.982 159 Q CA 1.443 57.275 55.803 0.048 0.000 0.850 159 Q CB 0.121 28.892 28.738 0.056 0.000 0.901 159 Q HN 0.257 nan 8.270 nan 0.000 0.422 160 R N 0.489 121.054 120.500 0.109 0.000 2.075 160 R HA -0.102 4.248 4.340 0.017 0.000 0.232 160 R C 2.041 178.433 176.300 0.153 0.000 1.126 160 R CA 1.501 57.687 56.100 0.144 0.000 0.963 160 R CB -0.436 29.971 30.300 0.178 0.000 0.858 160 R HN 0.522 nan 8.270 nan 0.000 0.435 161 E N 0.408 120.650 120.200 0.070 0.000 2.051 161 E HA -0.159 4.201 4.350 0.017 0.000 0.192 161 E C 1.980 178.510 176.600 -0.117 0.000 0.991 161 E CA 1.468 57.872 56.400 0.006 0.000 0.799 161 E CB -0.121 29.495 29.700 -0.139 0.000 0.748 161 E HN 0.186 nan 8.360 nan 0.000 0.449 162 S N 0.835 116.479 115.700 -0.092 0.000 2.353 162 S HA -0.154 4.326 4.470 0.017 0.000 0.222 162 S C 2.102 176.634 174.600 -0.113 0.000 1.035 162 S CA 0.929 59.054 58.200 -0.125 0.000 1.025 162 S CB -0.284 62.876 63.200 -0.067 0.000 0.902 162 S HN 0.168 nan 8.310 nan 0.000 0.440 163 L N 0.999 122.202 121.223 -0.033 0.000 2.012 163 L HA -0.116 4.235 4.340 0.017 0.000 0.210 163 L C 2.858 179.733 176.870 0.009 0.000 1.073 163 L CA 1.682 56.520 54.840 -0.003 0.000 0.748 163 L CB -0.606 41.475 42.059 0.038 0.000 0.891 163 L HN 0.337 nan 8.230 nan 0.000 0.431 164 S N -0.483 115.257 115.700 0.066 0.000 2.383 164 S HA -0.164 4.316 4.470 0.017 0.000 0.227 164 S C 1.736 176.343 174.600 0.010 0.000 1.026 164 S CA 1.319 59.632 58.200 0.189 0.000 0.981 164 S CB -0.366 63.144 63.200 0.516 0.000 0.818 164 S HN 0.407 nan 8.310 nan 0.000 0.472 165 N N 1.349 119.743 118.700 -0.511 0.000 2.289 165 N HA -0.084 4.667 4.740 0.017 0.000 0.184 165 N C 1.487 176.841 175.510 -0.260 0.000 1.016 165 N CA 1.115 53.696 53.050 -0.782 0.000 0.872 165 N CB -0.079 37.759 38.487 -1.082 0.000 0.973 165 N HN 0.516 nan 8.380 nan 0.000 0.433 166 E N -0.793 119.311 120.200 -0.161 0.000 2.170 166 E HA 0.048 4.409 4.350 0.017 0.000 0.191 166 E C 1.467 178.053 176.600 -0.024 0.000 0.981 166 E CA 0.448 56.800 56.400 -0.081 0.000 0.830 166 E CB 0.223 29.882 29.700 -0.068 0.000 0.775 166 E HN 0.365 nan 8.360 nan 0.000 0.470 167 L N 0.777 122.008 121.223 0.014 0.000 2.513 167 L HA 0.098 4.449 4.340 0.017 0.000 0.222 167 L C 0.182 177.110 176.870 0.098 0.000 1.096 167 L CA -0.113 54.754 54.840 0.046 0.000 0.857 167 L CB 0.241 42.328 42.059 0.047 0.000 1.026 167 L HN -0.077 nan 8.230 nan 0.000 0.469 168 D N 0.436 120.936 120.400 0.167 0.000 2.372 168 D HA 0.057 4.707 4.640 0.017 0.000 0.243 168 D C -0.231 176.227 176.300 0.263 0.000 1.121 168 D CA -0.233 53.935 54.000 0.280 0.000 0.898 168 D CB 0.699 41.805 40.800 0.511 0.000 1.202 168 D HN -0.197 nan 8.370 nan 0.000 0.428 169 F N 2.607 122.646 119.950 0.148 0.000 2.623 169 F HA 0.048 4.586 4.527 0.017 0.000 0.386 169 F C -1.732 174.198 175.800 0.218 0.000 1.068 169 F CA -1.119 56.965 58.000 0.140 0.000 1.265 169 F CB 0.225 39.281 39.000 0.093 0.000 1.026 169 F HN 0.172 nan 8.300 nan 0.000 0.568 170 P HA 0.123 nan 4.420 nan 0.000 0.260 170 P C 0.442 177.827 177.300 0.142 0.000 1.172 170 P CA 1.674 64.679 63.100 -0.159 0.000 0.760 170 P CB 0.327 31.825 31.700 -0.336 0.000 0.773 171 G N 2.480 111.414 108.800 0.223 0.000 2.234 171 G HA2 -0.258 3.713 3.960 0.017 0.000 0.235 171 G HA3 -0.258 3.713 3.960 0.017 0.000 0.235 171 G C 0.961 176.080 174.900 0.364 0.000 0.997 171 G CA 0.105 45.367 45.100 0.270 0.000 0.623 171 G HN 0.569 nan 8.290 nan 0.000 0.514 172 W N 0.982 122.475 121.300 0.321 0.000 2.444 172 W HA 0.345 5.015 4.660 0.017 0.000 0.308 172 W C 1.070 177.813 176.519 0.375 0.000 1.183 172 W CA 0.793 58.351 57.345 0.356 0.000 1.340 172 W CB -0.271 29.387 29.460 0.330 0.000 1.138 172 W HN 0.226 nan 8.180 nan 0.000 0.510 173 F N 3.503 123.575 119.950 0.202 0.000 2.612 173 F HA 0.065 4.603 4.527 0.018 0.000 0.389 173 F C -0.485 175.276 175.800 -0.064 0.000 1.055 173 F CA 1.443 59.509 58.000 0.109 0.000 1.232 173 F CB 0.687 39.791 39.000 0.173 0.000 1.044 173 F HN -0.359 nan 8.300 nan 0.000 0.560 174 T N 6.447 120.464 114.554 -0.894 0.000 2.949 174 T HA 0.120 4.480 4.350 0.017 0.000 0.300 174 T C -0.723 173.496 174.700 -0.801 0.000 0.988 174 T CA -0.711 60.937 62.100 -0.754 0.000 0.993 174 T CB 1.046 69.363 68.868 -0.918 0.000 0.984 174 T HN 0.676 nan 8.240 nan 0.000 0.442 175 E N 1.729 121.593 120.200 -0.560 0.000 2.392 175 E HA 0.262 4.622 4.350 0.017 0.000 0.264 175 E C -0.327 176.241 176.600 -0.054 0.000 1.024 175 E CA -0.023 56.254 56.400 -0.205 0.000 0.903 175 E CB 0.552 30.233 29.700 -0.031 0.000 0.963 175 E HN 0.508 nan 8.360 nan 0.000 0.432 176 S N 3.390 119.199 115.700 0.181 0.000 2.300 176 S HA 0.202 4.682 4.470 0.017 0.000 0.172 176 S C 0.353 174.912 174.600 -0.068 0.000 1.484 176 S CA -0.524 57.628 58.200 -0.080 0.000 1.265 176 S CB 0.162 63.199 63.200 -0.272 0.000 1.313 176 S HN 0.517 nan 8.310 nan 0.000 0.387 177 K N 1.584 121.975 120.400 -0.014 0.000 2.063 177 K HA -0.038 4.292 4.320 0.017 0.000 0.208 177 K C -1.150 175.413 176.600 -0.062 0.000 1.048 177 K CA 1.681 57.957 56.287 -0.018 0.000 0.928 177 K CB -0.685 31.800 32.500 -0.024 0.000 0.713 177 K HN 0.393 nan 8.250 nan 0.000 0.442 178 P HA -0.139 nan 4.420 nan 0.000 0.215 178 P C 1.180 178.416 177.300 -0.108 0.000 1.157 178 P CA 1.210 64.256 63.100 -0.090 0.000 0.863 178 P CB 0.063 31.706 31.700 -0.095 0.000 0.787 179 I N -0.847 119.632 120.570 -0.151 0.000 2.233 179 I HA -0.243 3.937 4.170 0.017 0.000 0.243 179 I C 2.746 178.791 176.117 -0.120 0.000 1.093 179 I CA 1.369 62.593 61.300 -0.127 0.000 1.380 179 I CB -0.742 37.204 38.000 -0.090 0.000 1.067 179 I HN -0.040 nan 8.210 nan 0.000 0.413 180 Q N 1.276 120.894 119.800 -0.302 0.000 2.112 180 Q HA -0.228 4.122 4.340 0.017 0.000 0.206 180 Q C 1.748 177.815 176.000 0.111 0.000 0.987 180 Q CA 1.828 57.572 55.803 -0.099 0.000 0.858 180 Q CB 0.009 28.673 28.738 -0.122 0.000 0.905 180 Q HN 0.489 nan 8.270 nan 0.000 0.420 181 N N -0.535 118.195 118.700 0.049 0.000 2.463 181 N HA -0.047 4.703 4.740 0.017 0.000 0.181 181 N C 1.608 177.133 175.510 0.026 0.000 1.078 181 N CA 0.601 53.707 53.050 0.095 0.000 0.902 181 N CB 0.365 38.891 38.487 0.065 0.000 0.970 181 N HN 0.111 nan 8.380 nan 0.000 0.451 182 V N 1.905 121.773 119.914 -0.077 0.000 2.295 182 V HA -0.226 3.904 4.120 0.017 0.000 0.246 182 V C 2.015 177.851 176.094 -0.429 0.000 1.049 182 V CA 1.715 63.853 62.300 -0.270 0.000 1.024 182 V CB -0.379 31.235 31.823 -0.349 0.000 0.648 182 V HN 0.267 nan 8.190 nan 0.000 0.447 183 E N -0.042 120.067 120.200 -0.151 0.000 2.110 183 E HA -0.160 4.201 4.350 0.017 0.000 0.193 183 E C 2.375 179.248 176.600 0.456 0.000 0.988 183 E CA 1.432 57.952 56.400 0.200 0.000 0.804 183 E CB -0.230 29.763 29.700 0.488 0.000 0.745 183 E HN 0.529 nan 8.360 nan 0.000 0.458 184 S N 0.419 116.396 115.700 0.461 0.000 2.359 184 S HA -0.201 4.279 4.470 0.017 0.000 0.223 184 S C 2.120 177.034 174.600 0.523 0.000 1.039 184 S CA 1.249 59.739 58.200 0.483 0.000 1.042 184 S CB -0.791 62.691 63.200 0.469 0.000 0.915 184 S HN 0.525 nan 8.310 nan 0.000 0.439 185 G N 1.196 110.219 108.800 0.372 0.000 2.440 185 G HA2 -0.184 3.787 3.960 0.017 0.000 0.218 185 G HA3 -0.184 3.787 3.960 0.017 0.000 0.218 185 G C 1.114 176.402 174.900 0.647 0.000 1.154 185 G CA 0.745 46.099 45.100 0.424 0.000 0.767 185 G HN 0.400 nan 8.290 nan 0.000 0.552 186 F N 1.134 121.343 119.950 0.433 0.000 2.126 186 F HA -0.016 4.523 4.527 0.019 0.000 0.299 186 F C 2.713 178.787 175.800 0.456 0.000 1.096 186 F CA 0.134 58.390 58.000 0.426 0.000 1.255 186 F CB -0.924 38.350 39.000 0.457 0.000 0.997 186 F HN 0.104 nan 8.300 nan 0.000 0.479 187 I N -1.297 119.659 120.570 0.643 0.000 2.163 187 I HA -0.345 3.835 4.170 0.017 0.000 0.243 187 I C 2.400 178.620 176.117 0.171 0.000 1.085 187 I CA 1.446 62.962 61.300 0.361 0.000 1.347 187 I CB -0.708 37.212 38.000 -0.133 0.000 1.044 187 I HN -0.051 nan 8.210 nan 0.000 0.408 188 F N 0.932 121.044 119.950 0.271 0.000 2.161 188 F HA -0.236 4.300 4.527 0.016 0.000 0.300 188 F C 2.603 178.654 175.800 0.417 0.000 1.089 188 F CA 1.436 59.627 58.000 0.318 0.000 1.282 188 F CB -0.682 38.562 39.000 0.407 0.000 1.010 188 F HN 0.017 nan 8.300 nan 0.000 0.485 189 A N -0.485 122.708 122.820 0.622 0.000 1.898 189 A HA -0.137 4.194 4.320 0.017 0.000 0.216 189 A C 2.066 179.701 177.584 0.084 0.000 1.181 189 A CA 1.589 53.733 52.037 0.178 0.000 0.620 189 A CB -0.878 18.297 19.000 0.290 0.000 0.819 189 A HN 0.344 nan 8.150 nan 0.000 0.442 190 L N -0.427 120.896 121.223 0.167 0.000 2.145 190 L HA 0.050 4.400 4.340 0.017 0.000 0.201 190 L C 1.715 178.732 176.870 0.245 0.000 1.075 190 L CA 1.961 56.864 54.840 0.106 0.000 0.773 190 L CB 0.310 42.253 42.059 -0.193 0.000 0.936 190 L HN 0.364 nan 8.230 nan 0.000 0.451 191 V N -3.249 116.790 119.914 0.207 0.000 3.159 191 V HA 0.389 4.520 4.120 0.017 0.000 0.333 191 V C 0.584 176.796 176.094 0.197 0.000 1.424 191 V CA -0.008 62.488 62.300 0.326 0.000 1.125 191 V CB -0.818 31.211 31.823 0.343 0.000 1.075 191 V HN 0.335 nan 8.190 nan 0.000 0.482 192 S N 0.071 115.831 115.700 0.100 0.000 2.585 192 S HA 0.278 4.759 4.470 0.017 0.000 0.273 192 S C 0.001 174.585 174.600 -0.027 0.000 1.339 192 S CA -0.047 58.158 58.200 0.007 0.000 1.028 192 S CB 1.208 64.524 63.200 0.192 0.000 0.906 192 S HN 0.464 nan 8.310 nan 0.000 0.528 193 D N 1.937 122.246 120.400 -0.151 0.000 2.435 193 D HA 0.166 4.816 4.640 0.017 0.000 0.230 193 D C 0.651 176.859 176.300 -0.154 0.000 1.215 193 D CA -0.902 52.903 54.000 -0.326 0.000 0.947 193 D CB -0.446 40.211 40.800 -0.238 0.000 1.048 193 D HN 0.539 nan 8.370 nan 0.000 0.512 194 F N 1.796 121.815 119.950 0.115 0.000 2.771 194 F HA 0.124 4.661 4.527 0.018 0.000 0.299 194 F C 1.087 176.917 175.800 0.050 0.000 1.177 194 F CA -0.121 57.908 58.000 0.048 0.000 1.450 194 F CB -1.170 37.809 39.000 -0.035 0.000 1.114 194 F HN 0.194 nan 8.300 nan 0.000 0.587 195 N N 0.183 119.022 118.700 0.232 0.000 2.412 195 N HA 0.174 4.925 4.740 0.017 0.000 0.184 195 N C 0.087 175.655 175.510 0.096 0.000 1.101 195 N CA -0.135 53.042 53.050 0.212 0.000 0.881 195 N CB 0.227 38.821 38.487 0.178 0.000 0.969 195 N HN 0.239 nan 8.380 nan 0.000 0.459 196 L N 1.447 122.700 121.223 0.049 0.000 2.375 196 L HA 0.264 4.614 4.340 0.017 0.000 0.271 196 L C -1.067 175.828 176.870 0.042 0.000 1.107 196 L CA -1.630 53.216 54.840 0.009 0.000 0.806 196 L CB 0.731 42.763 42.059 -0.045 0.000 1.146 196 L HN -0.080 nan 8.230 nan 0.000 0.447 197 P HA -0.117 nan 4.420 nan 0.000 0.225 197 P C 0.066 177.391 177.300 0.041 0.000 1.148 197 P CA 1.022 64.144 63.100 0.036 0.000 0.779 197 P CB 0.089 31.801 31.700 0.021 0.000 0.780 198 D N -1.409 119.013 120.400 0.036 0.000 2.891 198 D HA -0.012 4.638 4.640 0.017 0.000 0.332 198 D C 0.855 177.193 176.300 0.063 0.000 1.369 198 D CA -0.575 53.450 54.000 0.043 0.000 0.827 198 D CB -1.358 39.456 40.800 0.023 0.000 1.141 198 D HN 0.025 nan 8.370 nan 0.000 0.464 199 N N 1.134 119.890 118.700 0.093 0.000 2.104 199 N HA -0.183 4.568 4.740 0.017 0.000 0.190 199 N C 0.423 176.061 175.510 0.214 0.000 1.024 199 N CA 1.143 54.278 53.050 0.141 0.000 0.853 199 N CB 0.233 38.823 38.487 0.172 0.000 1.008 199 N HN 0.053 nan 8.380 nan 0.000 0.424 200 D N 0.326 120.852 120.400 0.211 0.000 2.224 200 D HA -0.079 4.572 4.640 0.017 0.000 0.205 200 D C 1.515 177.916 176.300 0.168 0.000 0.965 200 D CA 0.885 55.052 54.000 0.279 0.000 0.852 200 D CB -0.032 40.905 40.800 0.229 0.000 0.947 200 D HN 0.440 nan 8.370 nan 0.000 0.494 201 E N 0.217 120.478 120.200 0.102 0.000 2.060 201 E HA -0.014 4.347 4.350 0.017 0.000 0.189 201 E C 0.715 177.335 176.600 0.034 0.000 0.974 201 E CA 0.630 57.065 56.400 0.059 0.000 0.808 201 E CB 0.052 29.779 29.700 0.044 0.000 0.768 201 E HN -0.001 nan 8.360 nan 0.000 0.453 202 N N 0.717 119.421 118.700 0.007 0.000 2.791 202 N HA 0.157 4.907 4.740 0.017 0.000 0.265 202 N C -2.839 172.614 175.510 -0.096 0.000 1.580 202 N CA -2.112 50.892 53.050 -0.077 0.000 0.809 202 N CB 0.750 39.208 38.487 -0.048 0.000 1.178 202 N HN -0.154 nan 8.380 nan 0.000 0.499 203 P HA 0.180 nan 4.420 nan 0.000 0.276 203 P C -0.763 176.563 177.300 0.042 0.000 1.230 203 P CA -0.115 63.026 63.100 0.068 0.000 0.776 203 P CB 1.350 33.250 31.700 0.333 0.000 0.888 204 L N 3.189 124.425 121.223 0.022 0.000 2.325 204 L HA 0.342 4.693 4.340 0.017 0.000 0.281 204 L C 0.203 176.929 176.870 -0.241 0.000 1.004 204 L CA -1.347 53.455 54.840 -0.064 0.000 0.823 204 L CB 2.081 44.125 42.059 -0.025 0.000 1.236 204 L HN 0.089 nan 8.230 nan 0.000 0.415 205 V N 3.760 123.250 119.914 -0.706 0.000 2.529 205 V HA 0.098 4.229 4.120 0.017 0.000 0.292 205 V C 0.771 176.414 176.094 -0.753 0.000 1.028 205 V CA -0.148 61.578 62.300 -0.955 0.000 1.074 205 V CB 0.659 31.347 31.823 -1.891 0.000 0.958 205 V HN 0.668 nan 8.190 nan 0.000 0.481 206 R N 4.065 124.179 120.500 -0.643 0.000 2.296 206 R HA 0.293 4.644 4.340 0.017 0.000 0.323 206 R C 1.011 177.106 176.300 -0.343 0.000 1.067 206 R CA -0.230 55.376 56.100 -0.823 0.000 0.946 206 R CB 0.478 30.010 30.300 -1.279 0.000 0.991 206 R HN 0.673 nan 8.270 nan 0.000 0.448 207 I N 2.513 122.947 120.570 -0.227 0.000 2.286 207 I HA -0.328 3.852 4.170 0.017 0.000 0.248 207 I C 1.850 178.061 176.117 0.158 0.000 1.115 207 I CA 1.340 62.718 61.300 0.130 0.000 1.392 207 I CB -0.193 37.904 38.000 0.162 0.000 1.065 207 I HN 0.675 nan 8.210 nan 0.000 0.418 208 D N 0.224 120.644 120.400 0.032 0.000 2.144 208 D HA -0.253 4.398 4.640 0.017 0.000 0.199 208 D C 1.861 178.374 176.300 0.355 0.000 0.984 208 D CA 1.242 55.332 54.000 0.150 0.000 0.834 208 D CB -0.782 40.075 40.800 0.095 0.000 0.955 208 D HN 0.330 nan 8.370 nan 0.000 0.465 209 W N 0.371 121.728 121.300 0.095 0.000 2.355 209 W HA 0.004 4.676 4.660 0.020 0.000 0.309 209 W C 2.191 178.877 176.519 0.277 0.000 1.206 209 W CA -0.356 57.047 57.345 0.096 0.000 1.284 209 W CB -1.550 27.904 29.460 -0.010 0.000 1.145 209 W HN 0.126 nan 8.180 nan 0.000 0.502 210 W N 1.572 123.063 121.300 0.317 0.000 2.355 210 W HA -0.187 4.483 4.660 0.016 0.000 0.309 210 W C 2.132 178.815 176.519 0.274 0.000 1.206 210 W CA 1.928 59.429 57.345 0.259 0.000 1.284 210 W CB -0.648 28.867 29.460 0.092 0.000 1.145 210 W HN -0.140 nan 8.180 nan 0.000 0.502 211 K N -1.314 119.274 120.400 0.313 0.000 2.097 211 K HA -0.255 4.076 4.320 0.017 0.000 0.206 211 K C 2.061 178.798 176.600 0.228 0.000 1.049 211 K CA 1.765 58.204 56.287 0.254 0.000 0.933 211 K CB -0.922 31.683 32.500 0.174 0.000 0.717 211 K HN 0.142 nan 8.250 nan 0.000 0.442 212 Y N 0.461 120.863 120.300 0.169 0.000 2.114 212 Y HA -0.285 4.275 4.550 0.017 0.000 0.284 212 Y C 2.235 178.192 175.900 0.095 0.000 1.143 212 Y CA 1.592 59.757 58.100 0.108 0.000 1.135 212 Y CB -0.501 38.030 38.460 0.119 0.000 0.980 212 Y HN 0.235 nan 8.280 nan 0.000 0.499 213 W N 0.131 121.577 121.300 0.244 0.000 2.335 213 W HA -0.269 4.401 4.660 0.018 0.000 0.311 213 W C 1.744 178.302 176.519 0.065 0.000 1.213 213 W CA 1.960 59.373 57.345 0.112 0.000 1.274 213 W CB -1.325 28.216 29.460 0.136 0.000 1.148 213 W HN 0.104 nan 8.180 nan 0.000 0.498 214 F N 0.818 120.498 119.950 -0.450 0.000 2.128 214 F HA -0.117 4.420 4.527 0.017 0.000 0.295 214 F C 2.666 177.792 175.800 -1.122 0.000 1.100 214 F CA 2.282 59.728 58.000 -0.924 0.000 1.260 214 F CB -1.199 36.999 39.000 -1.336 0.000 1.009 214 F HN -0.244 nan 8.300 nan 0.000 0.476 215 T N -0.292 113.828 114.554 -0.725 0.000 2.777 215 T HA -0.123 4.238 4.350 0.017 0.000 0.266 215 T C 1.645 176.052 174.700 -0.488 0.000 1.040 215 T CA 1.428 62.982 62.100 -0.910 0.000 1.141 215 T CB -0.193 68.482 68.868 -0.322 0.000 0.868 215 T HN 0.100 nan 8.240 nan 0.000 0.444 216 N N 0.686 119.181 118.700 -0.342 0.000 2.392 216 N HA 0.045 4.795 4.740 0.017 0.000 0.177 216 N C 0.108 175.550 175.510 -0.114 0.000 1.066 216 N CA 0.159 53.042 53.050 -0.278 0.000 0.895 216 N CB 0.050 38.233 38.487 -0.507 0.000 0.988 216 N HN 0.496 nan 8.380 nan 0.000 0.457 217 E N 0.151 120.299 120.200 -0.087 0.000 2.269 217 E HA -0.186 4.175 4.350 0.017 0.000 0.223 217 E C -0.644 175.971 176.600 0.025 0.000 1.244 217 E CA 0.344 56.745 56.400 0.002 0.000 0.713 217 E CB -1.214 28.511 29.700 0.041 0.000 1.178 217 E HN 0.128 nan 8.360 nan 0.000 0.370 218 S N -1.037 114.634 115.700 -0.048 0.000 2.688 218 S HA 0.713 5.193 4.470 0.017 0.000 0.275 218 S C -1.424 172.984 174.600 -0.321 0.000 1.175 218 S CA -0.885 57.227 58.200 -0.147 0.000 0.818 218 S CB 0.910 64.198 63.200 0.146 0.000 1.157 218 S HN 0.165 nan 8.310 nan 0.000 0.482 219 F N 2.498 122.482 119.950 0.057 0.000 2.404 219 F HA 0.445 4.982 4.527 0.017 0.000 0.339 219 F C -1.629 173.778 175.800 -0.655 0.000 1.105 219 F CA -2.120 55.600 58.000 -0.467 0.000 1.087 219 F CB 1.039 39.696 39.000 -0.573 0.000 1.143 219 F HN 0.283 nan 8.300 nan 0.000 0.491 220 P HA -0.014 nan 4.420 nan 0.000 0.246 220 P C 0.565 177.533 177.300 -0.553 0.000 1.686 220 P CA 0.291 62.699 63.100 -1.153 0.000 0.867 220 P CB -0.551 30.658 31.700 -0.817 0.000 1.733 221 Y N 0.479 120.638 120.300 -0.234 0.000 2.193 221 Y HA -0.240 4.320 4.550 0.015 0.000 0.285 221 Y C 2.469 178.396 175.900 0.046 0.000 1.166 221 Y CA 1.682 59.781 58.100 -0.003 0.000 1.181 221 Y CB -1.141 37.345 38.460 0.044 0.000 0.976 221 Y HN 0.302 nan 8.280 nan 0.000 0.520 222 H N -1.011 118.134 119.070 0.125 0.000 2.521 222 H HA 0.025 4.592 4.556 0.019 0.000 0.286 222 H C 1.621 177.047 175.328 0.163 0.000 1.034 222 H CA 0.920 57.057 56.048 0.149 0.000 1.278 222 H CB -0.315 29.546 29.762 0.164 0.000 1.386 222 H HN 0.348 nan 8.280 nan 0.000 0.567 223 L N -0.821 120.551 121.223 0.248 0.000 2.700 223 L HA 0.252 4.602 4.340 0.017 0.000 0.234 223 L C 1.301 178.478 176.870 0.512 0.000 1.156 223 L CA 0.374 55.434 54.840 0.367 0.000 0.946 223 L CB 0.449 42.783 42.059 0.458 0.000 1.216 223 L HN 0.332 nan 8.230 nan 0.000 0.493 224 G N -0.679 108.342 108.800 0.369 0.000 2.157 224 G HA2 -0.322 3.649 3.960 0.017 0.000 0.248 224 G HA3 -0.322 3.649 3.960 0.017 0.000 0.248 224 G C 0.002 175.067 174.900 0.275 0.000 0.979 224 G CA -0.144 45.187 45.100 0.386 0.000 0.650 224 G HN 0.390 nan 8.290 nan 0.000 0.529 225 W N 2.493 123.550 121.300 -0.405 0.000 2.137 225 W HA 0.541 5.209 4.660 0.014 0.000 0.344 225 W C 0.754 176.958 176.519 -0.525 0.000 1.286 225 W CA 1.149 57.834 57.345 -1.100 0.000 1.240 225 W CB 0.388 28.804 29.460 -1.740 0.000 1.141 225 W HN 0.601 nan 8.180 nan 0.000 0.579 226 H N 1.561 119.780 119.070 -1.419 0.000 3.008 226 H HA 0.568 5.134 4.556 0.016 0.000 0.354 226 H C -2.836 171.000 175.328 -2.487 0.000 1.252 226 H CA -2.871 52.167 56.048 -1.683 0.000 1.117 226 H CB 0.641 29.788 29.762 -1.025 0.000 1.857 226 H HN 0.058 nan 8.280 nan 0.000 0.547 227 P HA 0.082 nan 4.420 nan 0.000 0.262 227 P C -2.483 174.381 177.300 -0.726 0.000 1.182 227 P CA -0.605 61.901 63.100 -0.990 0.000 0.761 227 P CB -0.173 31.237 31.700 -0.482 0.000 0.795 228 P HA -0.012 nan 4.420 nan 0.000 0.264 228 P C -0.244 176.854 177.300 -0.336 0.000 1.183 228 P CA 0.788 63.607 63.100 -0.469 0.000 0.763 228 P CB 0.400 31.950 31.700 -0.250 0.000 0.807 229 S N 2.795 118.309 115.700 -0.311 0.000 2.672 229 S HA 0.555 5.035 4.470 0.017 0.000 0.291 229 S C -2.387 172.137 174.600 -0.126 0.000 1.145 229 S CA -1.341 56.761 58.200 -0.163 0.000 1.013 229 S CB 0.205 63.376 63.200 -0.049 0.000 1.017 229 S HN 0.247 nan 8.310 nan 0.000 0.487 230 P HA 0.366 nan 4.420 nan 0.000 0.271 230 P C -0.326 176.911 177.300 -0.105 0.000 1.244 230 P CA -0.532 62.517 63.100 -0.086 0.000 0.793 230 P CB 0.176 31.842 31.700 -0.057 0.000 0.984 231 A N 2.052 124.816 122.820 -0.093 0.000 2.531 231 A HA 0.088 4.419 4.320 0.017 0.000 0.236 231 A C 0.750 178.287 177.584 -0.078 0.000 1.062 231 A CA -0.194 51.787 52.037 -0.092 0.000 0.760 231 A CB -0.141 18.818 19.000 -0.068 0.000 0.995 231 A HN 0.408 nan 8.150 nan 0.000 0.501 232 R N 1.756 122.198 120.500 -0.096 0.000 2.590 232 R HA 0.210 4.561 4.340 0.017 0.000 0.274 232 R C -0.101 176.200 176.300 0.002 0.000 1.061 232 R CA 0.126 56.170 56.100 -0.092 0.000 1.081 232 R CB 0.300 30.509 30.300 -0.151 0.000 0.984 232 R HN 0.753 nan 8.270 nan 0.000 0.448 233 E N 1.278 121.517 120.200 0.065 0.000 2.281 233 E HA 0.112 4.473 4.350 0.017 0.000 0.262 233 E C 1.124 177.828 176.600 0.173 0.000 0.933 233 E CA -0.947 55.513 56.400 0.100 0.000 0.809 233 E CB 1.414 31.165 29.700 0.085 0.000 1.242 233 E HN 0.276 nan 8.360 nan 0.000 0.418 234 I N 1.548 122.207 120.570 0.148 0.000 2.264 234 I HA -0.258 3.923 4.170 0.017 0.000 0.248 234 I C 2.016 178.234 176.117 0.169 0.000 1.111 234 I CA 1.651 63.053 61.300 0.170 0.000 1.382 234 I CB -0.127 37.947 38.000 0.123 0.000 1.060 234 I HN 0.529 nan 8.210 nan 0.000 0.418 235 E N 0.103 120.389 120.200 0.143 0.000 2.085 235 E HA -0.317 4.043 4.350 0.017 0.000 0.194 235 E C 2.266 178.952 176.600 0.143 0.000 0.994 235 E CA 1.659 58.128 56.400 0.115 0.000 0.801 235 E CB -0.594 29.162 29.700 0.093 0.000 0.743 235 E HN 0.533 nan 8.360 nan 0.000 0.453 236 F N 0.999 120.997 119.950 0.080 0.000 2.095 236 F HA -0.226 4.311 4.527 0.018 0.000 0.298 236 F C 2.292 178.165 175.800 0.121 0.000 1.104 236 F CA 1.500 59.562 58.000 0.103 0.000 1.232 236 F CB -0.409 38.666 39.000 0.125 0.000 0.987 236 F HN -0.133 nan 8.300 nan 0.000 0.475 237 V N 0.246 120.415 119.914 0.425 0.000 2.295 237 V HA -0.316 3.814 4.120 0.017 0.000 0.246 237 V C 2.613 178.773 176.094 0.110 0.000 1.049 237 V CA 2.463 64.975 62.300 0.354 0.000 1.024 237 V CB -1.300 30.782 31.823 0.432 0.000 0.648 237 V HN 0.635 nan 8.190 nan 0.000 0.447 238 T N -3.236 111.355 114.554 0.061 0.000 2.942 238 T HA -0.142 4.219 4.350 0.017 0.000 0.265 238 T C 2.040 176.685 174.700 -0.091 0.000 1.062 238 T CA 1.492 63.582 62.100 -0.016 0.000 1.139 238 T CB -0.269 68.597 68.868 -0.003 0.000 0.883 238 T HN 0.358 nan 8.240 nan 0.000 0.468 239 S N 1.501 117.132 115.700 -0.115 0.000 2.356 239 S HA -0.001 4.479 4.470 0.017 0.000 0.223 239 S C 2.480 176.865 174.600 -0.359 0.000 1.032 239 S CA 1.351 59.427 58.200 -0.206 0.000 1.005 239 S CB -0.993 62.090 63.200 -0.195 0.000 0.867 239 S HN 0.744 nan 8.310 nan 0.000 0.449 240 A N 0.613 123.192 122.820 -0.401 0.000 1.902 240 A HA -0.068 4.263 4.320 0.017 0.000 0.217 240 A C 2.434 179.747 177.584 -0.451 0.000 1.181 240 A CA 2.237 53.953 52.037 -0.534 0.000 0.623 240 A CB -1.500 17.351 19.000 -0.248 0.000 0.818 240 A HN 0.636 nan 8.150 nan 0.000 0.443 241 S N -0.520 115.060 115.700 -0.202 0.000 2.353 241 S HA -0.197 4.284 4.470 0.017 0.000 0.222 241 S C 2.361 176.851 174.600 -0.182 0.000 1.035 241 S CA 2.228 60.354 58.200 -0.123 0.000 1.025 241 S CB -0.583 62.575 63.200 -0.069 0.000 0.902 241 S HN 0.674 nan 8.310 nan 0.000 0.440 242 S N 0.672 116.248 115.700 -0.207 0.000 2.370 242 S HA -0.033 4.448 4.470 0.017 0.000 0.226 242 S C 2.066 176.498 174.600 -0.279 0.000 1.033 242 S CA 1.544 59.625 58.200 -0.199 0.000 1.011 242 S CB -0.838 62.261 63.200 -0.169 0.000 0.852 242 S HN 0.730 nan 8.310 nan 0.000 0.457 243 A N 0.666 123.193 122.820 -0.489 0.000 1.930 243 A HA 0.056 4.386 4.320 0.017 0.000 0.217 243 A C 2.332 179.599 177.584 -0.528 0.000 1.175 243 A CA 1.542 53.185 52.037 -0.656 0.000 0.627 243 A CB -0.943 17.268 19.000 -1.314 0.000 0.815 243 A HN 0.449 nan 8.150 nan 0.000 0.443 244 V N 0.249 119.871 119.914 -0.486 0.000 2.255 244 V HA -0.274 3.856 4.120 0.017 0.000 0.247 244 V C 2.516 178.575 176.094 -0.058 0.000 1.051 244 V CA 2.112 64.330 62.300 -0.138 0.000 1.018 244 V CB -0.729 31.103 31.823 0.014 0.000 0.641 244 V HN 0.590 nan 8.190 nan 0.000 0.445 245 L N -0.153 121.023 121.223 -0.079 0.000 2.275 245 L HA -0.051 4.299 4.340 0.017 0.000 0.215 245 L C 2.444 179.284 176.870 -0.051 0.000 1.119 245 L CA 1.129 55.942 54.840 -0.044 0.000 0.790 245 L CB -0.597 41.434 42.059 -0.046 0.000 0.919 245 L HN 0.370 nan 8.230 nan 0.000 0.443 246 A N 0.076 122.845 122.820 -0.084 0.000 2.123 246 A HA 0.305 4.636 4.320 0.017 0.000 0.214 246 A C 1.360 178.920 177.584 -0.041 0.000 1.152 246 A CA 0.452 52.447 52.037 -0.069 0.000 0.728 246 A CB -0.278 18.664 19.000 -0.097 0.000 0.814 246 A HN 0.260 nan 8.150 nan 0.000 0.464 247 A N 0.225 123.029 122.820 -0.027 0.000 2.477 247 A HA 0.457 4.787 4.320 0.017 0.000 0.246 247 A C 0.693 178.290 177.584 0.021 0.000 1.078 247 A CA 0.224 52.271 52.037 0.016 0.000 0.770 247 A CB -0.060 18.977 19.000 0.063 0.000 1.011 247 A HN 0.368 nan 8.150 nan 0.000 0.494 248 S N 1.057 116.772 115.700 0.025 0.000 2.549 248 S HA 0.331 4.811 4.470 0.017 0.000 0.279 248 S C -0.011 174.606 174.600 0.028 0.000 1.321 248 S CA -0.470 57.742 58.200 0.021 0.000 1.054 248 S CB 0.048 63.258 63.200 0.017 0.000 0.899 248 S HN 0.652 nan 8.310 nan 0.000 0.497 249 V N 5.694 125.621 119.914 0.021 0.000 2.385 249 V HA 0.218 4.348 4.120 0.017 0.000 0.269 249 V C 1.492 177.597 176.094 0.019 0.000 1.043 249 V CA 0.083 62.397 62.300 0.023 0.000 0.906 249 V CB 0.673 32.506 31.823 0.017 0.000 0.995 249 V HN 1.114 nan 8.190 nan 0.000 0.467 250 T N 0.118 114.685 114.554 0.022 0.000 3.051 250 T HA 0.073 4.434 4.350 0.017 0.000 0.255 250 T C 0.835 175.543 174.700 0.013 0.000 1.085 250 T CA 0.560 62.670 62.100 0.018 0.000 1.109 250 T CB 0.322 69.203 68.868 0.021 0.000 0.921 250 T HN 0.549 nan 8.240 nan 0.000 0.488 251 S N 0.997 116.705 115.700 0.014 0.000 2.707 251 S HA 0.520 5.001 4.470 0.017 0.000 0.303 251 S C -0.970 173.634 174.600 0.007 0.000 1.132 251 S CA -0.597 57.608 58.200 0.009 0.000 1.046 251 S CB 1.332 64.537 63.200 0.009 0.000 1.004 251 S HN 0.323 nan 8.310 nan 0.000 0.483 252 T N 7.288 121.844 114.554 0.002 0.000 2.753 252 T HA 0.490 4.851 4.350 0.017 0.000 0.297 252 T C -2.296 172.399 174.700 -0.008 0.000 0.981 252 T CA -0.887 61.212 62.100 -0.002 0.000 0.956 252 T CB 0.936 69.801 68.868 -0.005 0.000 0.936 252 T HN 0.562 nan 8.240 nan 0.000 0.463 253 P HA 0.298 nan 4.420 nan 0.000 0.272 253 P C -0.240 177.044 177.300 -0.028 0.000 1.230 253 P CA -0.484 62.606 63.100 -0.017 0.000 0.788 253 P CB 0.590 32.279 31.700 -0.018 0.000 0.949 254 S N 0.032 115.713 115.700 -0.032 0.000 2.624 254 S HA 0.212 4.693 4.470 0.017 0.000 0.263 254 S C 0.512 175.076 174.600 -0.060 0.000 1.287 254 S CA -0.119 58.057 58.200 -0.040 0.000 0.990 254 S CB 0.015 63.194 63.200 -0.035 0.000 0.950 254 S HN 0.564 nan 8.310 nan 0.000 0.561 255 S N -0.758 114.902 115.700 -0.067 0.000 3.561 255 S HA -0.144 4.336 4.470 0.017 0.000 0.318 255 S C 0.057 174.576 174.600 -0.136 0.000 1.181 255 S CA 0.247 58.387 58.200 -0.099 0.000 0.916 255 S CB -1.942 61.191 63.200 -0.112 0.000 0.966 255 S HN 0.561 nan 8.310 nan 0.000 0.550 256 L N 2.470 123.633 121.223 -0.099 0.000 2.426 256 L HA 0.283 4.634 4.340 0.017 0.000 0.271 256 L C -1.083 175.739 176.870 -0.080 0.000 1.169 256 L CA -1.576 53.205 54.840 -0.098 0.000 0.836 256 L CB 0.016 42.041 42.059 -0.056 0.000 1.112 256 L HN 0.064 nan 8.230 nan 0.000 0.465 257 P HA -0.003 nan 4.420 nan 0.000 0.272 257 P C -0.460 176.850 177.300 0.018 0.000 1.230 257 P CA -0.433 62.684 63.100 0.028 0.000 0.788 257 P CB 0.791 32.613 31.700 0.203 0.000 0.949 258 S N 0.316 116.028 115.700 0.021 0.000 2.537 258 S HA 0.319 4.799 4.470 0.017 0.000 0.286 258 S C 1.391 175.993 174.600 0.003 0.000 1.299 258 S CA 0.782 58.986 58.200 0.006 0.000 1.067 258 S CB -1.321 61.881 63.200 0.004 0.000 0.864 258 S HN 0.945 nan 8.310 nan 0.000 0.494 259 G N 3.287 112.083 108.800 -0.006 0.000 2.162 259 G HA2 -0.263 3.707 3.960 0.017 0.000 0.260 259 G HA3 -0.263 3.707 3.960 0.017 0.000 0.260 259 G C 1.027 175.919 174.900 -0.012 0.000 0.976 259 G CA 0.592 45.685 45.100 -0.011 0.000 0.655 259 G HN 1.482 nan 8.290 nan 0.000 0.533 260 A N -0.286 122.528 122.820 -0.010 0.000 1.892 260 A HA 0.203 4.533 4.320 0.017 0.000 0.218 260 A C 1.411 178.985 177.584 -0.016 0.000 1.188 260 A CA 1.474 53.501 52.037 -0.017 0.000 0.631 260 A CB -0.198 18.789 19.000 -0.022 0.000 0.822 260 A HN 0.947 nan 8.150 nan 0.000 0.447 261 I N -0.147 120.415 120.570 -0.013 0.000 2.396 261 I HA 0.488 4.668 4.170 0.017 0.000 0.289 261 I C 0.777 176.886 176.117 -0.013 0.000 1.056 261 I CA 0.710 62.004 61.300 -0.010 0.000 1.365 261 I CB 0.445 38.440 38.000 -0.007 0.000 1.407 261 I HN 0.526 nan 8.210 nan 0.000 0.509 262 G N 7.187 115.978 108.800 -0.015 0.000 2.353 262 G HA2 0.013 3.983 3.960 0.017 0.000 0.424 262 G HA3 0.013 3.983 3.960 0.017 0.000 0.424 262 G C -3.192 171.692 174.900 -0.027 0.000 1.320 262 G CA -1.136 43.951 45.100 -0.021 0.000 0.995 262 G HN 0.386 nan 8.290 nan 0.000 0.580 263 P HA 0.461 nan 4.420 nan 0.000 0.271 263 P C 0.493 177.769 177.300 -0.040 0.000 1.233 263 P CA 0.660 63.735 63.100 -0.042 0.000 0.789 263 P CB 0.893 32.566 31.700 -0.044 0.000 0.951 264 G N -0.711 108.061 108.800 -0.046 0.000 2.473 264 G HA2 0.579 4.550 3.960 0.017 0.000 0.321 264 G HA3 0.579 4.550 3.960 0.017 0.000 0.321 264 G C -0.810 174.059 174.900 -0.052 0.000 1.200 264 G CA -0.641 44.431 45.100 -0.046 0.000 0.963 264 G HN 0.609 nan 8.290 nan 0.000 0.483 265 A N 0.303 123.090 122.820 -0.054 0.000 2.445 265 A HA 0.437 4.767 4.320 0.017 0.000 0.242 265 A C 0.629 178.177 177.584 -0.061 0.000 1.075 265 A CA -0.119 51.884 52.037 -0.057 0.000 0.777 265 A CB 0.205 19.168 19.000 -0.062 0.000 1.013 265 A HN 0.766 nan 8.150 nan 0.000 0.493 266 E N 1.148 121.314 120.200 -0.057 0.000 2.414 266 E HA 0.352 4.712 4.350 0.017 0.000 0.263 266 E C 0.382 176.943 176.600 -0.066 0.000 1.000 266 E CA -0.016 56.350 56.400 -0.056 0.000 0.914 266 E CB 0.492 30.164 29.700 -0.047 0.000 0.948 266 E HN 0.791 nan 8.360 nan 0.000 0.444 267 A N 3.672 126.450 122.820 -0.070 0.000 2.462 267 A HA 0.387 4.718 4.320 0.017 0.000 0.243 267 A C -0.127 177.410 177.584 -0.079 0.000 1.076 267 A CA -0.121 51.864 52.037 -0.086 0.000 0.773 267 A CB 0.317 19.260 19.000 -0.095 0.000 1.010 267 A HN 0.564 nan 8.150 nan 0.000 0.493 268 V N -0.547 119.309 119.914 -0.096 0.000 3.160 268 V HA 0.755 4.886 4.120 0.017 0.000 0.310 268 V C -3.017 173.013 176.094 -0.107 0.000 1.181 268 V CA -2.623 59.624 62.300 -0.087 0.000 1.047 268 V CB 1.175 32.948 31.823 -0.083 0.000 1.068 268 V HN 0.670 nan 8.190 nan 0.000 0.441 269 P HA 0.287 nan 4.420 nan 0.000 0.265 269 P C -0.332 176.885 177.300 -0.139 0.000 1.193 269 P CA 0.093 63.139 63.100 -0.091 0.000 0.765 269 P CB 0.223 31.892 31.700 -0.052 0.000 0.823 270 L N 1.731 122.859 121.223 -0.158 0.000 2.467 270 L HA 0.332 4.682 4.340 0.017 0.000 0.270 270 L C 0.884 177.560 176.870 -0.323 0.000 1.205 270 L CA 0.580 55.254 54.840 -0.276 0.000 0.828 270 L CB 0.358 42.303 42.059 -0.189 0.000 1.101 270 L HN 0.383 nan 8.230 nan 0.000 0.479 271 S N 1.036 116.365 115.700 -0.618 0.000 2.536 271 S HA 0.719 5.200 4.470 0.017 0.000 0.271 271 S C -1.254 172.824 174.600 -0.869 0.000 1.134 271 S CA -0.540 57.364 58.200 -0.493 0.000 0.897 271 S CB 0.792 63.837 63.200 -0.259 0.000 1.094 271 S HN 0.297 nan 8.310 nan 0.000 0.473 272 F N 2.082 121.924 119.950 -0.180 0.000 2.551 272 F HA 0.704 5.240 4.527 0.015 0.000 0.316 272 F C 0.601 176.311 175.800 -0.149 0.000 1.089 272 F CA -0.859 56.967 58.000 -0.290 0.000 0.915 272 F CB 1.689 40.270 39.000 -0.698 0.000 1.186 272 F HN 0.705 nan 8.300 nan 0.000 0.456 273 A N 1.459 124.301 122.820 0.036 0.000 2.520 273 A HA 0.218 4.548 4.320 0.017 0.000 0.245 273 A C 1.268 178.903 177.584 0.085 0.000 1.072 273 A CA 0.111 52.173 52.037 0.041 0.000 0.761 273 A CB 0.139 19.154 19.000 0.026 0.000 1.004 273 A HN 0.879 nan 8.150 nan 0.000 0.499 274 S N 0.710 116.454 115.700 0.073 0.000 2.440 274 S HA -0.154 4.327 4.470 0.017 0.000 0.238 274 S C 2.163 176.809 174.600 0.076 0.000 1.010 274 S CA 2.019 60.269 58.200 0.084 0.000 0.972 274 S CB -0.364 62.873 63.200 0.060 0.000 0.774 274 S HN 1.066 nan 8.310 nan 0.000 0.501 275 T N -1.107 113.484 114.554 0.061 0.000 2.978 275 T HA 0.160 4.521 4.350 0.017 0.000 0.262 275 T C 0.790 175.524 174.700 0.057 0.000 1.063 275 T CA 0.151 62.279 62.100 0.048 0.000 1.140 275 T CB -0.313 68.574 68.868 0.031 0.000 0.886 275 T HN 0.283 nan 8.240 nan 0.000 0.470 276 M N 4.434 124.086 119.600 0.086 0.000 2.303 276 M HA 0.149 4.639 4.480 0.017 0.000 0.350 276 M C -0.124 176.263 176.300 0.144 0.000 1.518 276 M CA -0.029 55.336 55.300 0.108 0.000 1.070 276 M CB 0.352 33.035 32.600 0.138 0.000 1.910 276 M HN 0.417 nan 8.290 nan 0.000 0.458 277 T N 4.765 119.334 114.554 0.025 0.000 2.869 277 T HA 0.568 4.928 4.350 0.017 0.000 0.295 277 T C -2.437 172.171 174.700 -0.154 0.000 0.987 277 T CA -1.525 60.540 62.100 -0.058 0.000 1.109 277 T CB 0.500 69.312 68.868 -0.094 0.000 0.932 277 T HN 0.493 nan 8.240 nan 0.000 0.518 278 P HA 0.262 nan 4.420 nan 0.000 0.274 278 P C -0.448 176.646 177.300 -0.343 0.000 1.231 278 P CA -0.682 62.110 63.100 -0.514 0.000 0.790 278 P CB 0.318 31.501 31.700 -0.862 0.000 0.951 279 F N 0.514 120.342 119.950 -0.204 0.000 2.553 279 F HA 0.045 4.581 4.527 0.016 0.000 0.356 279 F C 1.437 177.061 175.800 -0.295 0.000 1.142 279 F CA 0.094 57.957 58.000 -0.229 0.000 1.322 279 F CB -0.230 38.558 39.000 -0.353 0.000 1.126 279 F HN 0.093 nan 8.300 nan 0.000 0.599 280 L N 4.034 125.192 121.223 -0.108 0.000 2.490 280 L HA 0.001 4.351 4.340 0.017 0.000 0.274 280 L C -0.058 176.684 176.870 -0.213 0.000 1.201 280 L CA -0.041 54.689 54.840 -0.184 0.000 0.869 280 L CB 0.066 42.006 42.059 -0.198 0.000 1.123 280 L HN 0.412 nan 8.230 nan 0.000 0.484 281 L N 3.564 124.743 121.223 -0.073 0.000 2.380 281 L HA 0.284 4.634 4.340 0.017 0.000 0.273 281 L C 0.796 177.771 176.870 0.175 0.000 1.138 281 L CA -0.379 54.469 54.840 0.013 0.000 0.832 281 L CB 0.801 42.856 42.059 -0.007 0.000 1.124 281 L HN 0.713 nan 8.230 nan 0.000 0.454 282 A N 1.669 124.652 122.820 0.272 0.000 2.540 282 A HA 0.217 4.548 4.320 0.017 0.000 0.239 282 A C 1.014 178.690 177.584 0.152 0.000 1.061 282 A CA 0.277 52.495 52.037 0.301 0.000 0.758 282 A CB -0.018 19.112 19.000 0.218 0.000 0.991 282 A HN 0.876 nan 8.150 nan 0.000 0.502 283 T N 0.303 114.928 114.554 0.118 0.000 3.105 283 T HA 0.107 4.467 4.350 0.017 0.000 0.253 283 T C 0.421 175.143 174.700 0.037 0.000 1.047 283 T CA -0.364 61.775 62.100 0.066 0.000 0.944 283 T CB -0.544 68.358 68.868 0.057 0.000 1.016 283 T HN 0.644 nan 8.240 nan 0.000 0.544 284 N N 2.377 121.097 118.700 0.033 0.000 2.407 284 N HA 0.301 5.051 4.740 0.017 0.000 0.250 284 N C 0.458 175.989 175.510 0.035 0.000 1.236 284 N CA 0.101 53.165 53.050 0.022 0.000 0.879 284 N CB 0.609 39.106 38.487 0.017 0.000 1.088 284 N HN 0.514 nan 8.380 nan 0.000 0.450 285 A N 3.154 125.995 122.820 0.036 0.000 2.507 285 A HA 0.132 4.462 4.320 0.017 0.000 0.235 285 A C -1.831 175.801 177.584 0.079 0.000 1.070 285 A CA -0.756 51.312 52.037 0.052 0.000 0.768 285 A CB -0.385 18.648 19.000 0.056 0.000 1.011 285 A HN 0.464 nan 8.150 nan 0.000 0.502 286 P HA 0.061 nan 4.420 nan 0.000 0.271 286 P C -0.637 176.778 177.300 0.191 0.000 1.216 286 P CA 0.226 63.401 63.100 0.125 0.000 0.771 286 P CB 0.219 31.974 31.700 0.091 0.000 0.864 287 Y N 5.193 125.532 120.300 0.066 0.000 2.597 287 Y HA 0.196 4.756 4.550 0.016 0.000 0.336 287 Y C -0.389 175.595 175.900 0.139 0.000 1.216 287 Y CA 0.310 58.436 58.100 0.042 0.000 1.463 287 Y CB 0.190 38.675 38.460 0.043 0.000 1.303 287 Y HN 0.459 nan 8.280 nan 0.000 0.576 288 Y N 2.647 122.451 120.300 -0.828 0.000 2.571 288 Y HA 0.799 5.359 4.550 0.017 0.000 0.341 288 Y C -1.024 174.275 175.900 -1.003 0.000 1.076 288 Y CA -1.737 55.872 58.100 -0.818 0.000 1.029 288 Y CB 0.408 38.698 38.460 -0.283 0.000 1.308 288 Y HN 0.828 nan 8.280 nan 0.000 0.461 289 A N 2.080 124.571 122.820 -0.547 0.000 2.477 289 A HA 0.368 4.699 4.320 0.017 0.000 0.246 289 A C 0.143 177.615 177.584 -0.186 0.000 1.078 289 A CA -0.231 51.593 52.037 -0.354 0.000 0.770 289 A CB 0.305 19.183 19.000 -0.204 0.000 1.011 289 A HN 0.945 nan 8.150 nan 0.000 0.494 290 Q N -0.039 119.659 119.800 -0.171 0.000 2.140 290 Q HA 0.090 4.441 4.340 0.017 0.000 0.227 290 Q C -0.788 175.185 176.000 -0.045 0.000 0.798 290 Q CA 0.019 55.764 55.803 -0.097 0.000 0.987 290 Q CB 0.885 29.522 28.738 -0.168 0.000 1.161 290 Q HN 0.800 nan 8.270 nan 0.000 0.480 291 D N 1.963 122.340 120.400 -0.038 0.000 2.749 291 D HA 0.176 4.827 4.640 0.017 0.000 0.338 291 D C -2.161 174.125 176.300 -0.024 0.000 1.236 291 D CA -1.346 52.644 54.000 -0.017 0.000 0.845 291 D CB 0.812 41.614 40.800 0.003 0.000 1.080 291 D HN 0.078 nan 8.370 nan 0.000 0.497 292 P HA 0.360 nan 4.420 nan 0.000 0.283 292 P C -0.083 177.190 177.300 -0.044 0.000 1.278 292 P CA -0.457 62.626 63.100 -0.029 0.000 0.834 292 P CB 0.726 32.414 31.700 -0.020 0.000 1.150 293 T N -1.185 113.361 114.554 -0.012 0.000 2.900 293 T HA 0.331 4.692 4.350 0.017 0.000 0.307 293 T C 0.525 175.199 174.700 -0.043 0.000 1.065 293 T CA -0.622 61.484 62.100 0.010 0.000 1.105 293 T CB 0.058 68.966 68.868 0.066 0.000 0.979 293 T HN 0.248 nan 8.240 nan 0.000 0.544 294 L N 1.836 122.999 121.223 -0.100 0.000 2.343 294 L HA 0.611 4.961 4.340 0.017 0.000 0.275 294 L C 1.235 178.069 176.870 -0.060 0.000 1.056 294 L CA -1.116 53.596 54.840 -0.214 0.000 0.804 294 L CB 1.077 42.699 42.059 -0.729 0.000 1.203 294 L HN 0.983 nan 8.230 nan 0.000 0.440 295 G N 1.123 109.918 108.800 -0.009 0.000 2.547 295 G HA2 0.358 4.328 3.960 0.017 0.000 0.291 295 G HA3 0.358 4.328 3.960 0.017 0.000 0.291 295 G C -1.733 173.242 174.900 0.125 0.000 1.211 295 G CA -0.958 44.183 45.100 0.069 0.000 0.950 295 G HN 0.476 nan 8.290 nan 0.000 0.504 296 P HA -0.097 nan 4.420 nan 0.000 0.220 296 P C 0.738 178.152 177.300 0.191 0.000 1.148 296 P CA 1.121 64.313 63.100 0.154 0.000 0.803 296 P CB 0.170 31.925 31.700 0.092 0.000 0.782 297 N N -0.840 117.976 118.700 0.194 0.000 2.270 297 N HA 0.037 4.788 4.740 0.017 0.000 0.198 297 N C 0.075 175.764 175.510 0.298 0.000 1.117 297 N CA -0.231 52.967 53.050 0.248 0.000 0.845 297 N CB 0.113 38.744 38.487 0.239 0.000 0.980 297 N HN 0.133 nan 8.380 nan 0.000 0.486 298 D N 0.000 120.543 120.400 0.238 0.000 6.856 298 D HA 0.000 4.650 4.640 0.017 0.000 0.175 298 D CA 0.000 54.120 54.000 0.199 0.000 0.868 298 D CB 0.000 40.886 40.800 0.144 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683