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 2cix_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 0.000 176.649 176.600 0.082 0.000 1.382 1 E CA 0.000 56.457 56.400 0.095 0.000 0.976 1 E CB 0.000 29.743 29.700 0.072 0.000 0.812 2 P HA -0.098 nan 4.420 nan 0.000 0.216 2 P C 1.200 178.524 177.300 0.040 0.000 1.150 2 P CA 1.550 64.693 63.100 0.071 0.000 0.837 2 P CB 0.229 31.970 31.700 0.069 0.000 0.786 3 G N -0.293 108.523 108.800 0.028 0.000 2.744 3 G HA2 -0.134 3.837 3.960 0.019 0.000 0.211 3 G HA3 -0.134 3.837 3.960 0.019 0.000 0.211 3 G C 1.532 176.430 174.900 -0.002 0.000 1.143 3 G CA 0.747 45.850 45.100 0.005 0.000 0.788 3 G HN 0.402 nan 8.290 nan 0.000 0.534 4 S N -0.172 115.537 115.700 0.015 0.000 2.447 4 S HA 0.203 4.684 4.470 0.019 0.000 0.233 4 S C 2.180 176.775 174.600 -0.007 0.000 1.006 4 S CA 1.177 59.387 58.200 0.016 0.000 0.957 4 S CB -0.438 62.788 63.200 0.044 0.000 0.773 4 S HN 1.412 nan 8.310 nan 0.000 0.507 5 G N 1.300 110.087 108.800 -0.022 0.000 2.186 5 G HA2 -0.312 3.660 3.960 0.019 0.000 0.266 5 G HA3 -0.312 3.660 3.960 0.019 0.000 0.266 5 G C 0.626 175.520 174.900 -0.010 0.000 0.982 5 G CA 0.601 45.681 45.100 -0.032 0.000 0.670 5 G HN 0.595 nan 8.290 nan 0.000 0.533 6 I N 0.608 121.142 120.570 -0.060 0.000 2.248 6 I HA -0.119 4.063 4.170 0.019 0.000 0.248 6 I C 2.819 178.712 176.117 -0.373 0.000 1.107 6 I CA 1.844 63.049 61.300 -0.158 0.000 1.373 6 I CB -0.255 37.641 38.000 -0.174 0.000 1.055 6 I HN 0.301 nan 8.210 nan 0.000 0.418 7 G N -0.964 107.597 108.800 -0.397 0.000 2.813 7 G HA2 -0.176 3.795 3.960 0.019 0.000 0.209 7 G HA3 -0.176 3.795 3.960 0.019 0.000 0.209 7 G C 0.504 175.425 174.900 0.034 0.000 1.150 7 G CA -0.222 44.705 45.100 -0.288 0.000 0.785 7 G HN 0.283 nan 8.290 nan 0.000 0.535 8 Y N 2.242 122.490 120.300 -0.086 0.000 2.497 8 Y HA 0.313 4.874 4.550 0.019 0.000 0.334 8 Y C -1.275 174.542 175.900 -0.138 0.000 1.199 8 Y CA -1.788 56.248 58.100 -0.106 0.000 1.425 8 Y CB 1.524 39.927 38.460 -0.094 0.000 1.291 8 Y HN -0.036 nan 8.280 nan 0.000 0.562 9 P HA 0.067 nan 4.420 nan 0.000 0.263 9 P C -0.208 176.596 177.300 -0.826 0.000 1.448 9 P CA 0.523 62.873 63.100 -1.250 0.000 0.983 9 P CB -0.010 30.827 31.700 -1.438 0.000 1.481 10 Y N 0.104 120.171 120.300 -0.388 0.000 2.347 10 Y HA 0.136 4.696 4.550 0.017 0.000 0.294 10 Y C 1.035 176.781 175.900 -0.256 0.000 1.117 10 Y CA 0.754 58.643 58.100 -0.352 0.000 1.184 10 Y CB 0.106 38.321 38.460 -0.409 0.000 1.047 10 Y HN -0.019 nan 8.280 nan 0.000 0.546 11 D N -0.669 119.716 120.400 -0.025 0.000 2.542 11 D HA 0.174 4.825 4.640 0.019 0.000 0.252 11 D C -0.673 175.623 176.300 -0.006 0.000 1.222 11 D CA -0.233 53.739 54.000 -0.046 0.000 0.895 11 D CB 0.434 41.248 40.800 0.023 0.000 1.207 11 D HN -0.038 nan 8.370 nan 0.000 0.558 12 N N 2.874 121.562 118.700 -0.020 0.000 2.268 12 N HA 0.055 4.806 4.740 0.019 0.000 0.204 12 N C -0.272 175.278 175.510 0.067 0.000 1.124 12 N CA 0.066 53.147 53.050 0.052 0.000 0.838 12 N CB 0.117 38.629 38.487 0.041 0.000 0.994 12 N HN 0.495 nan 8.380 nan 0.000 0.489 13 N N 0.730 119.482 118.700 0.087 0.000 2.697 13 N HA 0.004 4.755 4.740 0.019 0.000 0.253 13 N C -0.934 174.727 175.510 0.251 0.000 1.604 13 N CA 0.001 53.136 53.050 0.142 0.000 0.772 13 N CB 0.600 39.158 38.487 0.119 0.000 1.267 13 N HN -0.018 nan 8.380 nan 0.000 0.510 14 T N -0.656 114.026 114.554 0.214 0.000 2.874 14 T HA 0.616 4.977 4.350 0.019 0.000 0.281 14 T C 0.198 175.074 174.700 0.294 0.000 0.994 14 T CA -0.451 61.829 62.100 0.299 0.000 1.015 14 T CB 1.799 70.795 68.868 0.214 0.000 1.028 14 T HN 0.147 nan 8.240 nan 0.000 0.523 15 L N 1.596 123.020 121.223 0.335 0.000 2.388 15 L HA 0.552 4.903 4.340 0.019 0.000 0.264 15 L C -2.292 174.709 176.870 0.219 0.000 0.998 15 L CA -2.779 52.160 54.840 0.165 0.000 0.817 15 L CB 2.815 44.878 42.059 0.007 0.000 1.338 15 L HN 0.551 nan 8.230 nan 0.000 0.414 16 P HA -0.003 nan 4.420 nan 0.000 0.274 16 P C -1.181 176.073 177.300 -0.076 0.000 1.237 16 P CA -0.226 62.954 63.100 0.134 0.000 0.793 16 P CB 0.537 32.282 31.700 0.074 0.000 0.977 17 Y N 1.737 121.842 120.300 -0.326 0.000 2.511 17 Y HA 0.285 4.846 4.550 0.019 0.000 0.332 17 Y C -0.686 175.048 175.900 -0.277 0.000 1.177 17 Y CA 0.418 58.158 58.100 -0.599 0.000 1.422 17 Y CB 0.385 38.642 38.460 -0.339 0.000 1.271 17 Y HN 0.062 nan 8.280 nan 0.000 0.550 18 V N 6.443 125.789 119.914 -0.947 0.000 2.623 18 V HA 0.572 4.704 4.120 0.019 0.000 0.304 18 V C -0.182 175.297 176.094 -1.025 0.000 1.054 18 V CA -0.949 60.898 62.300 -0.756 0.000 0.882 18 V CB 1.196 32.725 31.823 -0.489 0.000 1.002 18 V HN 1.062 nan 8.190 nan 0.000 0.424 19 A N 7.466 129.772 122.820 -0.858 0.000 2.498 19 A HA 0.558 4.890 4.320 0.019 0.000 0.239 19 A C -2.079 175.221 177.584 -0.474 0.000 1.068 19 A CA -0.764 50.894 52.037 -0.631 0.000 0.766 19 A CB -0.174 18.499 19.000 -0.546 0.000 1.003 19 A HN 0.622 nan 8.150 nan 0.000 0.497 20 P HA 0.203 nan 4.420 nan 0.000 0.271 20 P C 0.374 177.536 177.300 -0.231 0.000 1.216 20 P CA 0.313 63.294 63.100 -0.199 0.000 0.776 20 P CB 0.781 32.440 31.700 -0.068 0.000 0.881 21 G N 3.122 111.818 108.800 -0.175 0.000 2.562 21 G HA2 0.286 4.257 3.960 0.019 0.000 0.275 21 G HA3 0.286 4.257 3.960 0.019 0.000 0.275 21 G C -1.697 173.169 174.900 -0.057 0.000 1.196 21 G CA -1.401 43.616 45.100 -0.139 0.000 0.908 21 G HN 0.267 nan 8.290 nan 0.000 0.524 22 P HA -0.075 nan 4.420 nan 0.000 0.221 22 P C 1.892 179.191 177.300 -0.000 0.000 1.145 22 P CA 1.895 64.998 63.100 0.006 0.000 0.795 22 P CB 0.208 31.911 31.700 0.005 0.000 0.775 23 T N -5.731 108.813 114.554 -0.016 0.000 3.086 23 T HA 0.073 4.434 4.350 0.019 0.000 0.250 23 T C 0.536 175.229 174.700 -0.011 0.000 1.074 23 T CA -0.247 61.845 62.100 -0.012 0.000 0.988 23 T CB -0.524 68.334 68.868 -0.017 0.000 0.988 23 T HN -0.112 nan 8.240 nan 0.000 0.530 24 D N 2.487 122.877 120.400 -0.017 0.000 2.372 24 D HA 0.263 4.915 4.640 0.019 0.000 0.243 24 D C -0.267 176.033 176.300 0.000 0.000 1.121 24 D CA 0.166 54.158 54.000 -0.014 0.000 0.898 24 D CB 1.549 42.332 40.800 -0.028 0.000 1.202 24 D HN 0.264 nan 8.370 nan 0.000 0.428 25 S N 1.519 117.220 115.700 0.001 0.000 2.475 25 S HA 0.396 4.878 4.470 0.019 0.000 0.281 25 S C -0.301 174.303 174.600 0.006 0.000 1.198 25 S CA -0.728 57.475 58.200 0.005 0.000 1.063 25 S CB 0.443 63.643 63.200 -0.000 0.000 0.972 25 S HN 0.213 nan 8.310 nan 0.000 0.486 26 R N 1.790 122.299 120.500 0.015 0.000 2.892 26 R HA 0.760 5.111 4.340 0.019 0.000 0.265 26 R C -0.287 176.018 176.300 0.007 0.000 1.025 26 R CA -0.746 55.365 56.100 0.018 0.000 0.982 26 R CB 1.478 31.803 30.300 0.043 0.000 1.185 26 R HN 0.694 nan 8.270 nan 0.000 0.484 27 A N 1.607 124.426 122.820 -0.001 0.000 2.269 27 A HA 0.588 4.919 4.320 0.019 0.000 0.327 27 A C -1.891 175.670 177.584 -0.038 0.000 1.112 27 A CA -1.338 50.685 52.037 -0.024 0.000 0.865 27 A CB 0.594 19.581 19.000 -0.022 0.000 1.227 27 A HN 0.474 nan 8.150 nan 0.000 0.498 28 P HA 0.074 nan 4.420 nan 0.000 0.249 28 P C 0.081 177.318 177.300 -0.105 0.000 1.241 28 P CA 0.317 63.363 63.100 -0.089 0.000 0.781 28 P CB -0.380 31.257 31.700 -0.104 0.000 1.088 29 C N 2.729 121.984 119.300 -0.074 0.000 2.281 29 C HA 0.467 4.938 4.460 0.019 0.000 0.325 29 C C -1.081 173.880 174.990 -0.048 0.000 1.282 29 C CA -2.524 56.475 59.018 -0.032 0.000 1.640 29 C CB 1.042 28.812 27.740 0.050 0.000 2.288 29 C HN 0.107 nan 8.230 nan 0.000 0.507 30 P HA -0.030 nan 4.420 nan 0.000 0.221 30 P C 1.211 178.671 177.300 0.267 0.000 1.150 30 P CA 1.791 64.737 63.100 -0.256 0.000 0.800 30 P CB 0.101 31.139 31.700 -1.103 0.000 0.787 31 A N 0.385 123.495 122.820 0.484 0.000 1.854 31 A HA -0.072 4.259 4.320 0.019 0.000 0.214 31 A C 2.376 180.128 177.584 0.279 0.000 1.192 31 A CA 1.101 53.480 52.037 0.570 0.000 0.611 31 A CB -1.551 17.859 19.000 0.685 0.000 0.832 31 A HN 0.078 nan 8.150 nan 0.000 0.442 32 L N -0.007 121.363 121.223 0.246 0.000 2.042 32 L HA -0.242 4.109 4.340 0.019 0.000 0.210 32 L C 2.297 179.204 176.870 0.061 0.000 1.076 32 L CA 1.379 56.291 54.840 0.120 0.000 0.749 32 L CB -0.719 41.420 42.059 0.132 0.000 0.893 32 L HN 0.369 nan 8.230 nan 0.000 0.432 33 N N 0.206 118.945 118.700 0.066 0.000 2.142 33 N HA -0.129 4.622 4.740 0.019 0.000 0.186 33 N C 1.891 177.422 175.510 0.035 0.000 1.023 33 N CA 1.515 54.587 53.050 0.037 0.000 0.852 33 N CB -0.355 38.150 38.487 0.030 0.000 0.998 33 N HN 0.312 nan 8.380 nan 0.000 0.424 34 A N 1.182 124.031 122.820 0.049 0.000 1.902 34 A HA -0.054 4.277 4.320 0.019 0.000 0.217 34 A C 2.347 179.989 177.584 0.097 0.000 1.181 34 A CA 0.920 52.937 52.037 -0.033 0.000 0.623 34 A CB -0.768 18.020 19.000 -0.355 0.000 0.818 34 A HN 0.217 nan 8.150 nan 0.000 0.443 35 L N -0.829 120.476 121.223 0.138 0.000 2.042 35 L HA -0.229 4.123 4.340 0.019 0.000 0.210 35 L C 3.099 179.959 176.870 -0.017 0.000 1.076 35 L CA 1.235 56.172 54.840 0.162 0.000 0.749 35 L CB -0.580 41.476 42.059 -0.005 0.000 0.893 35 L HN 0.451 nan 8.230 nan 0.000 0.432 36 A N -0.000 122.784 122.820 -0.059 0.000 1.930 36 A HA -0.178 4.154 4.320 0.019 0.000 0.217 36 A C 1.994 179.423 177.584 -0.257 0.000 1.175 36 A CA 1.599 53.545 52.037 -0.152 0.000 0.627 36 A CB -0.530 18.425 19.000 -0.075 0.000 0.815 36 A HN 0.414 nan 8.150 nan 0.000 0.443 37 N N -0.035 118.564 118.700 -0.170 0.000 2.272 37 N HA -0.133 4.618 4.740 0.019 0.000 0.185 37 N C 1.167 176.411 175.510 -0.444 0.000 1.014 37 N CA 1.251 54.132 53.050 -0.283 0.000 0.870 37 N CB -0.479 37.870 38.487 -0.231 0.000 0.975 37 N HN 0.659 nan 8.380 nan 0.000 0.433 38 H N -1.224 117.604 119.070 -0.403 0.000 2.551 38 H HA 0.201 4.769 4.556 0.018 0.000 0.271 38 H C 1.040 175.818 175.328 -0.917 0.000 0.984 38 H CA 0.629 56.308 56.048 -0.614 0.000 1.164 38 H CB 0.519 29.757 29.762 -0.874 0.000 1.437 38 H HN 0.260 nan 8.280 nan 0.000 0.550 39 G N 1.057 109.246 108.800 -1.019 0.000 2.148 39 G HA2 -0.341 3.631 3.960 0.019 0.000 0.254 39 G HA3 -0.341 3.631 3.960 0.019 0.000 0.254 39 G C 0.428 175.100 174.900 -0.380 0.000 0.981 39 G CA 0.476 45.000 45.100 -0.960 0.000 0.670 39 G HN 0.384 nan 8.290 nan 0.000 0.528 40 Y N 0.114 120.292 120.300 -0.202 0.000 2.395 40 Y HA 0.325 4.887 4.550 0.019 0.000 0.293 40 Y C 2.083 177.936 175.900 -0.079 0.000 1.123 40 Y CA 0.484 58.497 58.100 -0.146 0.000 1.227 40 Y CB -0.108 38.240 38.460 -0.187 0.000 1.012 40 Y HN 0.687 nan 8.280 nan 0.000 0.552 41 I N -3.213 117.372 120.570 0.025 0.000 2.910 41 I HA 0.545 4.726 4.170 0.019 0.000 0.310 41 I C -2.794 173.274 176.117 -0.082 0.000 1.043 41 I CA -2.956 58.346 61.300 0.002 0.000 1.053 41 I CB 1.952 39.964 38.000 0.020 0.000 1.242 41 I HN -0.376 nan 8.210 nan 0.000 0.452 42 P HA 0.010 nan 4.420 nan 0.000 0.260 42 P C -0.226 177.032 177.300 -0.070 0.000 1.172 42 P CA 0.639 63.718 63.100 -0.035 0.000 0.760 42 P CB 0.156 31.863 31.700 0.012 0.000 0.773 43 H N 2.048 121.079 119.070 -0.064 0.000 2.394 43 H HA -0.213 4.356 4.556 0.021 0.000 0.297 43 H C 1.540 176.817 175.328 -0.085 0.000 1.113 43 H CA 2.218 58.204 56.048 -0.103 0.000 1.277 43 H CB -0.028 29.657 29.762 -0.129 0.000 1.370 43 H HN 0.553 nan 8.280 nan 0.000 0.506 44 D N -0.938 119.496 120.400 0.058 0.000 2.355 44 D HA 0.022 4.673 4.640 0.019 0.000 0.218 44 D C 1.546 177.850 176.300 0.006 0.000 1.004 44 D CA 0.771 54.781 54.000 0.018 0.000 0.880 44 D CB -0.399 40.408 40.800 0.011 0.000 0.911 44 D HN 0.412 nan 8.370 nan 0.000 0.528 45 G N 0.319 109.120 108.800 0.002 0.000 2.176 45 G HA2 -0.316 3.655 3.960 0.019 0.000 0.252 45 G HA3 -0.316 3.655 3.960 0.019 0.000 0.252 45 G C 0.008 174.911 174.900 0.004 0.000 1.024 45 G CA 0.128 45.227 45.100 -0.001 0.000 0.755 45 G HN 0.503 nan 8.290 nan 0.000 0.507 46 R N -0.914 119.592 120.500 0.011 0.000 2.807 46 R HA 0.702 5.053 4.340 0.019 0.000 0.276 46 R C 0.641 176.958 176.300 0.029 0.000 0.979 46 R CA -0.451 55.657 56.100 0.014 0.000 0.928 46 R CB 1.769 32.076 30.300 0.013 0.000 1.191 46 R HN 1.560 nan 8.270 nan 0.000 0.471 47 A N 1.957 124.798 122.820 0.036 0.000 2.648 47 A HA -0.156 4.175 4.320 0.019 0.000 0.297 47 A C -0.293 177.340 177.584 0.081 0.000 1.467 47 A CA 0.413 52.485 52.037 0.059 0.000 0.731 47 A CB -1.938 17.093 19.000 0.051 0.000 1.085 47 A HN 0.587 nan 8.150 nan 0.000 0.437 48 I N 1.565 122.194 120.570 0.098 0.000 2.354 48 I HA 0.458 4.640 4.170 0.019 0.000 0.292 48 I C 0.952 177.201 176.117 0.220 0.000 0.989 48 I CA -0.013 61.364 61.300 0.127 0.000 1.188 48 I CB 1.968 40.029 38.000 0.102 0.000 1.342 48 I HN 0.652 nan 8.210 nan 0.000 0.457 49 S N 5.389 121.210 115.700 0.201 0.000 2.632 49 S HA 0.395 4.876 4.470 0.019 0.000 0.271 49 S C 1.050 175.798 174.600 0.248 0.000 1.260 49 S CA -0.671 57.664 58.200 0.225 0.000 1.010 49 S CB 1.646 64.926 63.200 0.132 0.000 0.965 49 S HN 0.647 nan 8.310 nan 0.000 0.534 50 R N 0.800 121.427 120.500 0.211 0.000 2.096 50 R HA -0.158 4.194 4.340 0.019 0.000 0.240 50 R C 2.344 178.736 176.300 0.154 0.000 1.139 50 R CA 2.024 58.236 56.100 0.187 0.000 0.952 50 R CB -0.480 29.849 30.300 0.048 0.000 0.854 50 R HN 0.919 nan 8.270 nan 0.000 0.436 51 E N -0.140 120.125 120.200 0.108 0.000 2.110 51 E HA -0.147 4.214 4.350 0.019 0.000 0.193 51 E C 1.492 178.161 176.600 0.114 0.000 0.988 51 E CA 1.567 58.025 56.400 0.095 0.000 0.804 51 E CB 0.150 29.889 29.700 0.064 0.000 0.745 51 E HN 0.234 nan 8.360 nan 0.000 0.458 52 T N 1.140 115.769 114.554 0.124 0.000 2.684 52 T HA -0.164 4.197 4.350 0.019 0.000 0.267 52 T C 1.822 176.614 174.700 0.153 0.000 1.036 52 T CA 1.281 63.456 62.100 0.126 0.000 1.148 52 T CB -0.208 68.731 68.868 0.119 0.000 0.863 52 T HN 0.138 nan 8.240 nan 0.000 0.436 53 L N 0.614 121.957 121.223 0.201 0.000 2.017 53 L HA -0.161 4.190 4.340 0.019 0.000 0.208 53 L C 2.951 180.030 176.870 0.349 0.000 1.073 53 L CA 1.492 56.506 54.840 0.290 0.000 0.745 53 L CB -0.575 41.700 42.059 0.361 0.000 0.894 53 L HN 0.289 nan 8.230 nan 0.000 0.432 54 Q N -0.119 119.832 119.800 0.252 0.000 2.061 54 Q HA -0.238 4.113 4.340 0.019 0.000 0.204 54 Q C 2.019 178.117 176.000 0.164 0.000 0.984 54 Q CA 2.115 58.041 55.803 0.205 0.000 0.846 54 Q CB -0.330 28.484 28.738 0.127 0.000 0.902 54 Q HN 0.598 nan 8.270 nan 0.000 0.421 55 N N 0.147 118.915 118.700 0.114 0.000 2.120 55 N HA -0.168 4.583 4.740 0.019 0.000 0.188 55 N C 1.809 177.341 175.510 0.036 0.000 1.024 55 N CA 0.783 53.865 53.050 0.054 0.000 0.852 55 N CB -0.149 38.370 38.487 0.053 0.000 1.003 55 N HN 0.208 nan 8.380 nan 0.000 0.424 56 A N 0.826 123.702 122.820 0.093 0.000 1.877 56 A HA -0.116 4.215 4.320 0.019 0.000 0.216 56 A C 1.825 179.389 177.584 -0.033 0.000 1.186 56 A CA 1.195 53.278 52.037 0.076 0.000 0.620 56 A CB -0.812 18.212 19.000 0.040 0.000 0.822 56 A HN 0.195 nan 8.150 nan 0.000 0.443 57 F N -0.782 119.194 119.950 0.044 0.000 2.146 57 F HA -0.080 4.452 4.527 0.007 0.000 0.298 57 F C 2.072 177.831 175.800 -0.068 0.000 1.096 57 F CA 1.470 59.470 58.000 0.001 0.000 1.275 57 F CB -0.426 38.580 39.000 0.010 0.000 1.008 57 F HN 0.274 nan 8.300 nan 0.000 0.480 58 L N 0.344 121.631 121.223 0.107 0.000 2.005 58 L HA -0.155 4.196 4.340 0.019 0.000 0.207 58 L C 1.633 178.417 176.870 -0.143 0.000 1.072 58 L CA 2.097 56.930 54.840 -0.012 0.000 0.744 58 L CB -0.975 41.076 42.059 -0.014 0.000 0.895 58 L HN 0.062 nan 8.230 nan 0.000 0.433 59 N N -2.144 116.397 118.700 -0.266 0.000 2.416 59 N HA -0.060 4.691 4.740 0.019 0.000 0.177 59 N C 0.965 176.029 175.510 -0.742 0.000 1.036 59 N CA 0.763 53.504 53.050 -0.515 0.000 0.901 59 N CB 0.054 38.149 38.487 -0.653 0.000 0.976 59 N HN 0.451 nan 8.380 nan 0.000 0.444 60 H N -1.177 117.685 119.070 -0.346 0.000 3.046 60 H HA 0.301 4.867 4.556 0.017 0.000 0.262 60 H C 0.835 175.896 175.328 -0.445 0.000 1.044 60 H CA 0.361 56.106 56.048 -0.503 0.000 1.209 60 H CB 0.744 29.927 29.762 -0.965 0.000 1.507 60 H HN 0.197 nan 8.280 nan 0.000 0.507 61 M N -0.830 118.652 119.600 -0.196 0.000 2.289 61 M HA 0.250 4.741 4.480 0.019 0.000 0.335 61 M C 0.829 177.088 176.300 -0.069 0.000 0.961 61 M CA 0.268 55.497 55.300 -0.118 0.000 1.018 61 M CB 1.933 34.532 32.600 -0.002 0.000 1.678 61 M HN 0.222 nan 8.290 nan 0.000 0.589 62 G N 2.398 111.128 108.800 -0.116 0.000 2.273 62 G HA2 -0.204 3.768 3.960 0.019 0.000 0.280 62 G HA3 -0.204 3.768 3.960 0.019 0.000 0.280 62 G C -0.339 174.525 174.900 -0.059 0.000 1.047 62 G CA -0.086 44.941 45.100 -0.122 0.000 0.869 62 G HN 0.389 nan 8.290 nan 0.000 0.502 63 I N 0.710 121.284 120.570 0.007 0.000 2.411 63 I HA 0.622 4.804 4.170 0.019 0.000 0.284 63 I C 0.824 176.953 176.117 0.021 0.000 1.012 63 I CA -1.024 60.288 61.300 0.020 0.000 1.119 63 I CB 0.896 38.932 38.000 0.061 0.000 1.261 63 I HN 0.343 nan 8.210 nan 0.000 0.448 64 A N 5.562 128.383 122.820 0.003 0.000 2.313 64 A HA 0.300 4.631 4.320 0.019 0.000 0.261 64 A C 1.159 178.753 177.584 0.017 0.000 1.090 64 A CA -0.214 51.829 52.037 0.010 0.000 0.807 64 A CB 0.234 19.240 19.000 0.010 0.000 1.055 64 A HN 0.717 nan 8.150 nan 0.000 0.492 65 N N 0.726 119.442 118.700 0.027 0.000 2.205 65 N HA -0.174 4.577 4.740 0.019 0.000 0.186 65 N C 2.034 177.566 175.510 0.035 0.000 1.015 65 N CA 1.864 54.935 53.050 0.035 0.000 0.862 65 N CB -0.518 37.992 38.487 0.039 0.000 0.986 65 N HN 0.775 nan 8.380 nan 0.000 0.429 66 S N -0.160 115.565 115.700 0.042 0.000 2.399 66 S HA -0.072 4.409 4.470 0.019 0.000 0.231 66 S C 2.026 176.674 174.600 0.079 0.000 1.022 66 S CA 0.914 59.148 58.200 0.057 0.000 0.983 66 S CB -0.691 62.545 63.200 0.060 0.000 0.803 66 S HN 0.068 nan 8.310 nan 0.000 0.480 67 V N 2.490 122.448 119.914 0.073 0.000 2.626 67 V HA 0.006 4.137 4.120 0.019 0.000 0.252 67 V C 2.106 178.274 176.094 0.124 0.000 1.067 67 V CA 1.700 64.076 62.300 0.126 0.000 1.081 67 V CB -0.861 31.002 31.823 0.068 0.000 0.686 67 V HN 0.838 nan 8.190 nan 0.000 0.468 68 I N -3.150 117.432 120.570 0.019 0.000 4.025 68 I HA 0.282 4.463 4.170 0.019 0.000 0.336 68 I C 1.792 177.967 176.117 0.097 0.000 1.390 68 I CA 0.345 61.652 61.300 0.012 0.000 1.099 68 I CB -0.092 37.789 38.000 -0.199 0.000 1.049 68 I HN 0.153 nan 8.210 nan 0.000 0.394 69 E N 1.515 121.772 120.200 0.094 0.000 2.038 69 E HA -0.254 4.107 4.350 0.019 0.000 0.195 69 E C 2.065 178.729 176.600 0.106 0.000 1.000 69 E CA 1.765 58.220 56.400 0.091 0.000 0.803 69 E CB 0.020 29.761 29.700 0.068 0.000 0.750 69 E HN 0.534 nan 8.360 nan 0.000 0.448 70 L N 0.771 122.056 121.223 0.103 0.000 2.093 70 L HA -0.042 4.309 4.340 0.019 0.000 0.208 70 L C 2.223 179.158 176.870 0.108 0.000 1.085 70 L CA 2.056 56.942 54.840 0.077 0.000 0.755 70 L CB -0.846 41.239 42.059 0.044 0.000 0.904 70 L HN 0.188 nan 8.230 nan 0.000 0.435 71 A N -0.465 122.483 122.820 0.212 0.000 1.908 71 A HA -0.216 4.116 4.320 0.019 0.000 0.218 71 A C 2.289 180.111 177.584 0.396 0.000 1.181 71 A CA 2.180 54.449 52.037 0.387 0.000 0.627 71 A CB -0.896 18.362 19.000 0.430 0.000 0.818 71 A HN 0.496 nan 8.150 nan 0.000 0.445 72 L N -1.061 120.344 121.223 0.302 0.000 2.027 72 L HA -0.157 4.195 4.340 0.019 0.000 0.206 72 L C 2.849 179.962 176.870 0.405 0.000 1.074 72 L CA 1.754 56.817 54.840 0.372 0.000 0.745 72 L CB -0.956 41.276 42.059 0.288 0.000 0.898 72 L HN 0.353 nan 8.230 nan 0.000 0.433 73 T N -0.255 114.446 114.554 0.245 0.000 2.635 73 T HA -0.185 4.176 4.350 0.019 0.000 0.267 73 T C 1.710 176.537 174.700 0.212 0.000 1.040 73 T CA 1.713 63.930 62.100 0.194 0.000 1.156 73 T CB -0.276 68.646 68.868 0.091 0.000 0.863 73 T HN 0.287 nan 8.240 nan 0.000 0.430 74 N N 1.174 119.942 118.700 0.114 0.000 2.244 74 N HA 0.040 4.792 4.740 0.019 0.000 0.183 74 N C 2.071 177.751 175.510 0.283 0.000 1.016 74 N CA 1.141 54.194 53.050 0.004 0.000 0.866 74 N CB -0.571 37.566 38.487 -0.585 0.000 0.980 74 N HN 0.432 nan 8.380 nan 0.000 0.430 75 A N 0.142 123.243 122.820 0.467 0.000 1.902 75 A HA -0.082 4.250 4.320 0.019 0.000 0.217 75 A C 1.923 179.561 177.584 0.090 0.000 1.181 75 A CA 1.060 53.308 52.037 0.351 0.000 0.623 75 A CB -0.802 18.326 19.000 0.213 0.000 0.818 75 A HN 0.215 nan 8.150 nan 0.000 0.443 76 F N -0.811 119.264 119.950 0.207 0.000 2.293 76 F HA -0.034 4.511 4.527 0.030 0.000 0.297 76 F C 2.339 178.237 175.800 0.163 0.000 1.089 76 F CA 0.948 59.043 58.000 0.158 0.000 1.377 76 F CB -0.204 38.871 39.000 0.125 0.000 1.051 76 F HN 0.010 nan 8.300 nan 0.000 0.511 77 V N -0.602 119.508 119.914 0.326 0.000 2.295 77 V HA -0.270 3.861 4.120 0.019 0.000 0.246 77 V C 2.254 178.540 176.094 0.320 0.000 1.049 77 V CA 1.653 64.132 62.300 0.298 0.000 1.024 77 V CB -0.640 31.342 31.823 0.264 0.000 0.648 77 V HN 0.139 nan 8.190 nan 0.000 0.447 78 V N -1.199 118.898 119.914 0.305 0.000 2.427 78 V HA -0.293 3.838 4.120 0.019 0.000 0.248 78 V C 2.529 178.692 176.094 0.115 0.000 1.051 78 V CA 2.039 64.478 62.300 0.233 0.000 1.048 78 V CB -0.680 31.311 31.823 0.281 0.000 0.666 78 V HN 0.767 nan 8.190 nan 0.000 0.456 79 C N 0.221 119.563 119.300 0.071 0.000 2.413 79 C HA -0.220 4.251 4.460 0.019 0.000 0.276 79 C C 2.849 177.870 174.990 0.052 0.000 1.248 79 C CA 1.994 61.016 59.018 0.006 0.000 1.742 79 C CB -0.755 26.941 27.740 -0.073 0.000 2.017 79 C HN 0.744 nan 8.230 nan 0.000 0.481 80 E N -1.565 118.712 120.200 0.128 0.000 2.106 80 E HA -0.235 4.127 4.350 0.019 0.000 0.192 80 E C 2.045 178.721 176.600 0.127 0.000 0.984 80 E CA 1.336 57.816 56.400 0.133 0.000 0.806 80 E CB -0.516 29.287 29.700 0.173 0.000 0.750 80 E HN 0.790 nan 8.360 nan 0.000 0.458 81 Y N 0.875 121.169 120.300 -0.011 0.000 2.145 81 Y HA -0.208 4.352 4.550 0.017 0.000 0.286 81 Y C 1.965 177.788 175.900 -0.129 0.000 1.145 81 Y CA 1.551 59.585 58.100 -0.111 0.000 1.148 81 Y CB -0.616 37.614 38.460 -0.383 0.000 0.981 81 Y HN -0.069 nan 8.280 nan 0.000 0.507 82 V N 0.113 119.819 119.914 -0.346 0.000 2.358 82 V HA -0.257 3.874 4.120 0.019 0.000 0.246 82 V C 2.473 178.436 176.094 -0.219 0.000 1.047 82 V CA 2.566 64.627 62.300 -0.400 0.000 1.035 82 V CB -1.221 30.449 31.823 -0.255 0.000 0.658 82 V HN 0.682 nan 8.190 nan 0.000 0.452 83 T N -3.057 111.431 114.554 -0.110 0.000 3.067 83 T HA 0.259 4.621 4.350 0.019 0.000 0.257 83 T C 1.604 176.282 174.700 -0.037 0.000 1.105 83 T CA 0.997 63.062 62.100 -0.060 0.000 1.104 83 T CB 0.569 69.425 68.868 -0.021 0.000 0.925 83 T HN 0.973 nan 8.240 nan 0.000 0.498 84 G N 1.166 109.950 108.800 -0.026 0.000 2.159 84 G HA2 -0.185 3.786 3.960 0.019 0.000 0.256 84 G HA3 -0.185 3.786 3.960 0.019 0.000 0.256 84 G C 0.175 175.095 174.900 0.032 0.000 0.977 84 G CA 0.388 45.491 45.100 0.006 0.000 0.652 84 G HN 1.580 nan 8.290 nan 0.000 0.531 85 S N -1.149 114.576 115.700 0.042 0.000 2.570 85 S HA 0.579 5.061 4.470 0.019 0.000 0.270 85 S C -0.955 173.692 174.600 0.079 0.000 1.149 85 S CA -0.312 57.922 58.200 0.056 0.000 0.837 85 S CB 2.379 65.605 63.200 0.044 0.000 1.124 85 S HN 0.338 nan 8.310 nan 0.000 0.465 86 D N 0.574 121.026 120.400 0.087 0.000 2.493 86 D HA 0.003 4.654 4.640 0.019 0.000 0.240 86 D C 1.037 177.413 176.300 0.126 0.000 1.142 86 D CA 0.187 54.254 54.000 0.112 0.000 0.872 86 D CB 0.886 41.740 40.800 0.091 0.000 1.173 86 D HN 0.812 nan 8.370 nan 0.000 0.467 87 C N 3.328 122.743 119.300 0.191 0.000 2.688 87 C HA 0.558 5.029 4.460 0.019 0.000 0.297 87 C C 1.413 176.559 174.990 0.261 0.000 1.308 87 C CA 0.374 59.517 59.018 0.209 0.000 1.726 87 C CB -1.143 26.714 27.740 0.196 0.000 1.982 87 C HN 0.803 nan 8.230 nan 0.000 0.604 88 G N 1.991 110.899 108.800 0.181 0.000 2.634 88 G HA2 -0.380 3.591 3.960 0.019 0.000 0.318 88 G HA3 -0.380 3.591 3.960 0.019 0.000 0.318 88 G C 0.224 175.119 174.900 -0.007 0.000 1.207 88 G CA 1.192 46.339 45.100 0.077 0.000 0.987 88 G HN 0.646 nan 8.290 nan 0.000 0.547 89 D N 0.246 120.662 120.400 0.027 0.000 2.788 89 D HA 0.494 5.145 4.640 0.019 0.000 0.289 89 D C -0.132 176.299 176.300 0.219 0.000 1.340 89 D CA 0.811 54.794 54.000 -0.028 0.000 0.831 89 D CB -0.013 40.742 40.800 -0.075 0.000 1.103 89 D HN 0.442 nan 8.370 nan 0.000 0.476 90 S N 0.835 116.750 115.700 0.359 0.000 2.524 90 S HA 0.292 4.774 4.470 0.019 0.000 0.227 90 S C -0.855 173.907 174.600 0.270 0.000 1.304 90 S CA -0.696 57.673 58.200 0.281 0.000 1.185 90 S CB -0.065 63.229 63.200 0.156 0.000 1.104 90 S HN 0.264 nan 8.310 nan 0.000 0.475 91 L N 6.354 127.705 121.223 0.214 0.000 2.584 91 L HA 0.161 4.513 4.340 0.019 0.000 0.272 91 L C 1.347 178.194 176.870 -0.038 0.000 1.195 91 L CA 0.726 55.480 54.840 -0.144 0.000 0.920 91 L CB 0.479 42.337 42.059 -0.336 0.000 1.173 91 L HN 0.530 nan 8.230 nan 0.000 0.489 92 V N 3.963 123.851 119.914 -0.042 0.000 2.287 92 V HA -0.181 3.951 4.120 0.019 0.000 0.248 92 V C 0.711 176.796 176.094 -0.015 0.000 1.053 92 V CA 2.087 64.382 62.300 -0.008 0.000 1.027 92 V CB -0.895 30.922 31.823 -0.009 0.000 0.646 92 V HN 1.094 nan 8.190 nan 0.000 0.447 93 N N -2.986 115.692 118.700 -0.037 0.000 3.020 93 N HA 0.267 5.018 4.740 0.019 0.000 0.248 93 N C -0.237 175.249 175.510 -0.040 0.000 1.480 93 N CA -0.744 52.289 53.050 -0.027 0.000 0.874 93 N CB 0.817 39.294 38.487 -0.016 0.000 1.433 93 N HN -0.090 nan 8.380 nan 0.000 0.530 94 L N -0.531 120.677 121.223 -0.025 0.000 2.240 94 L HA 0.041 4.393 4.340 0.019 0.000 0.211 94 L C 1.494 178.345 176.870 -0.032 0.000 1.106 94 L CA 1.144 55.968 54.840 -0.027 0.000 0.793 94 L CB -0.496 41.556 42.059 -0.011 0.000 0.927 94 L HN 0.694 nan 8.230 nan 0.000 0.446 95 T N 1.305 115.845 114.554 -0.023 0.000 2.788 95 T HA -0.145 4.216 4.350 0.019 0.000 0.268 95 T C 1.796 176.478 174.700 -0.030 0.000 1.044 95 T CA 1.514 63.603 62.100 -0.018 0.000 1.139 95 T CB -0.287 68.578 68.868 -0.006 0.000 0.867 95 T HN 0.302 nan 8.240 nan 0.000 0.454 96 L N 0.333 121.532 121.223 -0.040 0.000 2.265 96 L HA 0.102 4.454 4.340 0.019 0.000 0.215 96 L C 1.908 178.752 176.870 -0.044 0.000 1.117 96 L CA 1.432 56.240 54.840 -0.052 0.000 0.782 96 L CB -1.337 40.684 42.059 -0.062 0.000 0.914 96 L HN 0.163 nan 8.230 nan 0.000 0.441 97 L N 0.360 121.554 121.223 -0.048 0.000 2.450 97 L HA -0.034 4.317 4.340 0.019 0.000 0.224 97 L C 2.465 179.301 176.870 -0.058 0.000 1.149 97 L CA 0.750 55.555 54.840 -0.059 0.000 0.816 97 L CB -0.725 41.252 42.059 -0.137 0.000 0.932 97 L HN 0.486 nan 8.230 nan 0.000 0.449 98 A N -0.463 122.326 122.820 -0.051 0.000 2.302 98 A HA 0.002 4.334 4.320 0.019 0.000 0.219 98 A C 0.786 178.331 177.584 -0.065 0.000 1.243 98 A CA -0.227 51.780 52.037 -0.050 0.000 0.856 98 A CB -0.434 18.548 19.000 -0.030 0.000 0.893 98 A HN 0.260 nan 8.150 nan 0.000 0.491 99 E N 2.354 122.521 120.200 -0.054 0.000 2.606 99 E HA 0.092 4.453 4.350 0.019 0.000 0.248 99 E C -2.262 174.295 176.600 -0.072 0.000 1.005 99 E CA -1.720 54.632 56.400 -0.080 0.000 0.946 99 E CB 0.379 30.054 29.700 -0.042 0.000 0.928 99 E HN 0.304 nan 8.360 nan 0.000 0.494 100 P HA 0.037 nan 4.420 nan 0.000 0.274 100 P C -0.671 176.601 177.300 -0.047 0.000 1.237 100 P CA 0.007 62.934 63.100 -0.288 0.000 0.793 100 P CB 0.295 31.505 31.700 -0.818 0.000 0.977 101 H N -1.295 117.747 119.070 -0.046 0.000 2.741 101 H HA -0.205 4.362 4.556 0.018 0.000 0.305 101 H C 0.597 176.020 175.328 0.158 0.000 1.169 101 H CA 0.164 56.185 56.048 -0.045 0.000 1.144 101 H CB -1.371 28.268 29.762 -0.205 0.000 1.397 101 H HN 0.616 nan 8.280 nan 0.000 0.409 102 A N -0.045 122.977 122.820 0.337 0.000 2.218 102 A HA 0.365 4.697 4.320 0.019 0.000 0.198 102 A C 0.887 178.727 177.584 0.426 0.000 1.857 102 A CA 0.095 52.419 52.037 0.479 0.000 1.620 102 A CB -0.403 18.835 19.000 0.396 0.000 1.424 102 A HN 0.118 nan 8.150 nan 0.000 0.562 103 F N 1.085 121.183 119.950 0.248 0.000 2.188 103 F HA 0.251 4.787 4.527 0.014 0.000 0.289 103 F C 1.046 176.954 175.800 0.180 0.000 1.082 103 F CA 0.917 59.038 58.000 0.203 0.000 1.282 103 F CB -0.166 38.942 39.000 0.180 0.000 1.060 103 F HN 0.345 nan 8.300 nan 0.000 0.493 104 E N 1.211 121.596 120.200 0.308 0.000 2.413 104 E HA 0.041 4.402 4.350 0.019 0.000 0.263 104 E C -1.106 175.565 176.600 0.118 0.000 1.015 104 E CA 0.329 56.768 56.400 0.066 0.000 0.916 104 E CB 0.354 30.040 29.700 -0.022 0.000 0.947 104 E HN 0.577 nan 8.360 nan 0.000 0.440 105 H N 0.194 119.296 119.070 0.054 0.000 2.977 105 H HA 0.444 5.011 4.556 0.018 0.000 0.350 105 H C -0.730 174.547 175.328 -0.086 0.000 1.238 105 H CA -1.006 55.032 56.048 -0.017 0.000 1.124 105 H CB 0.466 30.172 29.762 -0.093 0.000 1.866 105 H HN 0.201 nan 8.280 nan 0.000 0.550 106 D N -0.141 120.265 120.400 0.011 0.000 2.398 106 D HA 0.080 4.731 4.640 0.019 0.000 0.247 106 D C 0.200 176.348 176.300 -0.253 0.000 1.227 106 D CA 0.875 54.871 54.000 -0.007 0.000 0.980 106 D CB -0.086 40.716 40.800 0.004 0.000 1.106 106 D HN 1.059 nan 8.370 nan 0.000 0.493 107 H N -2.837 116.400 119.070 0.278 0.000 2.655 107 H HA -0.159 4.409 4.556 0.019 0.000 0.313 107 H C -0.615 174.770 175.328 0.095 0.000 1.141 107 H CA 0.561 56.746 56.048 0.228 0.000 1.138 107 H CB -2.419 27.523 29.762 0.299 0.000 1.446 107 H HN 0.022 nan 8.280 nan 0.000 0.415 108 S N -0.478 115.242 115.700 0.033 0.000 2.584 108 S HA 0.175 4.656 4.470 0.019 0.000 0.270 108 S C 1.137 175.782 174.600 0.075 0.000 1.346 108 S CA -0.094 58.100 58.200 -0.010 0.000 1.018 108 S CB 0.217 63.380 63.200 -0.062 0.000 0.899 108 S HN 0.361 nan 8.310 nan 0.000 0.542 109 F N 1.193 121.354 119.950 0.351 0.000 2.259 109 F HA -0.017 4.520 4.527 0.018 0.000 0.298 109 F C 2.314 178.339 175.800 0.376 0.000 1.088 109 F CA 1.035 59.294 58.000 0.431 0.000 1.358 109 F CB -0.154 39.247 39.000 0.668 0.000 1.040 109 F HN 0.638 nan 8.300 nan 0.000 0.505 110 S N -2.294 113.658 115.700 0.420 0.000 2.893 110 S HA 0.411 4.892 4.470 0.019 0.000 0.258 110 S C 0.211 174.733 174.600 -0.130 0.000 1.034 110 S CA -0.620 57.672 58.200 0.153 0.000 1.167 110 S CB 0.329 63.605 63.200 0.125 0.000 1.137 110 S HN -0.011 nan 8.310 nan 0.000 0.650 111 R N 1.796 122.266 120.500 -0.050 0.000 2.803 111 R HA 0.604 4.955 4.340 0.019 0.000 0.276 111 R C -0.718 175.553 176.300 -0.049 0.000 0.978 111 R CA -0.572 55.465 56.100 -0.106 0.000 0.939 111 R CB 1.022 31.267 30.300 -0.092 0.000 1.179 111 R HN 0.176 nan 8.270 nan 0.000 0.472 112 K N 0.987 121.351 120.400 -0.059 0.000 2.219 112 K HA 0.151 4.482 4.320 0.019 0.000 0.258 112 K C -0.470 176.147 176.600 0.028 0.000 1.008 112 K CA -0.441 55.839 56.287 -0.012 0.000 0.928 112 K CB 0.433 32.910 32.500 -0.037 0.000 0.983 112 K HN 0.444 nan 8.250 nan 0.000 0.484 113 D N 0.562 121.011 120.400 0.083 0.000 2.339 113 D HA -0.034 4.617 4.640 0.019 0.000 0.245 113 D C 0.791 177.117 176.300 0.044 0.000 1.115 113 D CA -0.026 54.062 54.000 0.146 0.000 0.917 113 D CB 0.379 41.364 40.800 0.309 0.000 1.192 113 D HN 0.442 nan 8.370 nan 0.000 0.428 114 Y N 1.259 121.465 120.300 -0.157 0.000 2.193 114 Y HA -0.201 4.360 4.550 0.020 0.000 0.285 114 Y C 1.137 176.692 175.900 -0.574 0.000 1.166 114 Y CA 1.676 59.539 58.100 -0.395 0.000 1.181 114 Y CB 0.295 38.403 38.460 -0.588 0.000 0.976 114 Y HN 0.212 nan 8.280 nan 0.000 0.520 115 K N 0.781 120.702 120.400 -0.799 0.000 2.861 115 K HA 0.092 4.424 4.320 0.019 0.000 0.210 115 K C -0.362 176.135 176.600 -0.173 0.000 1.112 115 K CA -0.199 55.729 56.287 -0.599 0.000 1.076 115 K CB 0.469 32.505 32.500 -0.773 0.000 0.853 115 K HN 0.239 nan 8.250 nan 0.000 0.463 116 Q N 0.430 120.175 119.800 -0.093 0.000 2.286 116 Q HA 0.095 4.446 4.340 0.019 0.000 0.267 116 Q C 0.683 176.688 176.000 0.009 0.000 1.028 116 Q CA 0.648 56.468 55.803 0.028 0.000 0.901 116 Q CB 0.523 29.285 28.738 0.040 0.000 1.183 116 Q HN 0.607 nan 8.270 nan 0.000 0.392 117 G N 2.651 111.483 108.800 0.053 0.000 2.187 117 G HA2 -0.279 3.692 3.960 0.019 0.000 0.261 117 G HA3 -0.279 3.692 3.960 0.019 0.000 0.261 117 G C 0.097 175.018 174.900 0.036 0.000 1.000 117 G CA 0.393 45.516 45.100 0.038 0.000 0.718 117 G HN 0.879 nan 8.290 nan 0.000 0.519 118 V N -2.767 117.182 119.914 0.059 0.000 2.649 118 V HA 0.808 4.939 4.120 0.019 0.000 0.292 118 V C 1.376 177.561 176.094 0.151 0.000 1.055 118 V CA 0.420 62.735 62.300 0.025 0.000 1.023 118 V CB 1.192 32.959 31.823 -0.093 0.000 0.992 118 V HN 1.210 nan 8.190 nan 0.000 0.480 119 A N 3.653 126.518 122.820 0.075 0.000 2.016 119 A HA 0.179 4.510 4.320 0.019 0.000 0.217 119 A C 0.907 178.603 177.584 0.186 0.000 1.162 119 A CA 0.866 52.976 52.037 0.121 0.000 0.662 119 A CB -0.755 18.272 19.000 0.044 0.000 0.812 119 A HN 0.948 nan 8.150 nan 0.000 0.450 120 N N -1.692 117.021 118.700 0.022 0.000 2.238 120 N HA 0.322 5.073 4.740 0.019 0.000 0.302 120 N C 0.767 175.939 175.510 -0.563 0.000 1.072 120 N CA 0.280 53.265 53.050 -0.108 0.000 0.792 120 N CB 1.883 40.320 38.487 -0.083 0.000 1.425 120 N HN 0.101 nan 8.380 nan 0.000 0.478 121 S N 0.970 116.169 115.700 -0.835 0.000 2.440 121 S HA -0.165 4.316 4.470 0.019 0.000 0.238 121 S C 0.920 175.209 174.600 -0.519 0.000 1.010 121 S CA 1.247 58.728 58.200 -1.200 0.000 0.972 121 S CB -0.321 62.545 63.200 -0.556 0.000 0.774 121 S HN 0.578 nan 8.310 nan 0.000 0.501 122 N N 1.210 119.737 118.700 -0.287 0.000 2.353 122 N HA 0.163 4.914 4.740 0.019 0.000 0.185 122 N C -0.749 174.704 175.510 -0.096 0.000 1.098 122 N CA 0.052 53.033 53.050 -0.116 0.000 0.872 122 N CB 0.181 38.642 38.487 -0.044 0.000 0.970 122 N HN 0.372 nan 8.380 nan 0.000 0.467 123 D N 0.152 120.425 120.400 -0.212 0.000 2.357 123 D HA 0.173 4.824 4.640 0.019 0.000 0.242 123 D C -0.240 175.902 176.300 -0.263 0.000 1.153 123 D CA 0.320 54.170 54.000 -0.249 0.000 0.918 123 D CB 0.589 41.235 40.800 -0.257 0.000 1.181 123 D HN 0.113 nan 8.370 nan 0.000 0.435 124 F N -1.170 118.489 119.950 -0.485 0.000 2.662 124 F HA 0.655 5.194 4.527 0.019 0.000 0.312 124 F C -0.895 174.583 175.800 -0.536 0.000 1.113 124 F CA -1.229 56.301 58.000 -0.782 0.000 0.951 124 F CB 0.845 38.959 39.000 -1.477 0.000 1.344 124 F HN 0.281 nan 8.300 nan 0.000 0.462 125 I N -1.776 118.582 120.570 -0.353 0.000 3.322 125 I HA 0.584 4.766 4.170 0.019 0.000 0.313 125 I C -1.095 174.982 176.117 -0.065 0.000 1.129 125 I CA -1.003 60.160 61.300 -0.229 0.000 0.963 125 I CB 1.794 39.681 38.000 -0.189 0.000 1.273 125 I HN 0.605 nan 8.210 nan 0.000 0.473 126 D N 2.778 123.147 120.400 -0.051 0.000 2.348 126 D HA 0.038 4.689 4.640 0.019 0.000 0.259 126 D C 0.071 176.371 176.300 -0.000 0.000 1.296 126 D CA 0.053 54.054 54.000 0.002 0.000 0.931 126 D CB 0.132 40.918 40.800 -0.024 0.000 1.067 126 D HN 0.665 nan 8.370 nan 0.000 0.503 127 N N 3.390 122.122 118.700 0.054 0.000 2.279 127 N HA 0.003 4.754 4.740 0.019 0.000 0.226 127 N C 0.930 176.436 175.510 -0.007 0.000 1.126 127 N CA -0.189 52.882 53.050 0.034 0.000 0.846 127 N CB 0.410 38.961 38.487 0.107 0.000 1.050 127 N HN 0.421 nan 8.380 nan 0.000 0.502 128 R N -0.125 120.367 120.500 -0.013 0.000 2.306 128 R HA 0.223 4.574 4.340 0.019 0.000 0.183 128 R C -0.326 175.946 176.300 -0.047 0.000 0.937 128 R CA -0.168 55.916 56.100 -0.027 0.000 1.118 128 R CB 0.164 30.466 30.300 0.003 0.000 1.224 128 R HN 0.010 nan 8.270 nan 0.000 0.597 129 N N 1.144 119.823 118.700 -0.036 0.000 2.482 129 N HA -0.024 4.728 4.740 0.019 0.000 0.260 129 N C -0.758 174.650 175.510 -0.170 0.000 1.236 129 N CA -0.057 52.968 53.050 -0.043 0.000 0.938 129 N CB 0.409 38.912 38.487 0.027 0.000 1.128 129 N HN 0.032 nan 8.380 nan 0.000 0.448 130 F N 1.095 120.760 119.950 -0.475 0.000 2.608 130 F HA -0.056 4.483 4.527 0.019 0.000 0.380 130 F C 0.398 175.870 175.800 -0.546 0.000 1.083 130 F CA 0.047 57.655 58.000 -0.653 0.000 1.266 130 F CB 0.305 38.641 39.000 -1.106 0.000 1.076 130 F HN 0.395 nan 8.300 nan 0.000 0.574 131 D N 4.983 124.640 120.400 -1.238 0.000 2.462 131 D HA 0.475 5.126 4.640 0.019 0.000 0.245 131 D C 0.499 176.220 176.300 -0.966 0.000 1.122 131 D CA 0.017 53.534 54.000 -0.805 0.000 0.864 131 D CB 1.592 42.152 40.800 -0.401 0.000 1.098 131 D HN 0.659 nan 8.370 nan 0.000 0.541 132 A N 3.866 126.282 122.820 -0.674 0.000 1.908 132 A HA -0.202 4.129 4.320 0.019 0.000 0.218 132 A C 1.909 179.407 177.584 -0.144 0.000 1.181 132 A CA 1.219 53.086 52.037 -0.283 0.000 0.627 132 A CB -0.424 18.605 19.000 0.049 0.000 0.818 132 A HN 0.676 nan 8.150 nan 0.000 0.445 133 E N -0.240 119.875 120.200 -0.142 0.000 2.077 133 E HA -0.157 4.204 4.350 0.019 0.000 0.193 133 E C 2.022 178.577 176.600 -0.074 0.000 0.989 133 E CA 1.856 58.206 56.400 -0.083 0.000 0.800 133 E CB -0.390 29.267 29.700 -0.072 0.000 0.746 133 E HN 0.541 nan 8.360 nan 0.000 0.452 134 T N 1.064 115.556 114.554 -0.103 0.000 2.708 134 T HA -0.148 4.213 4.350 0.019 0.000 0.266 134 T C 1.518 176.243 174.700 0.042 0.000 1.037 134 T CA 1.290 63.368 62.100 -0.037 0.000 1.146 134 T CB -0.506 68.328 68.868 -0.057 0.000 0.865 134 T HN 0.164 nan 8.240 nan 0.000 0.435 135 F N 2.059 121.885 119.950 -0.206 0.000 2.171 135 F HA -0.072 4.467 4.527 0.020 0.000 0.300 135 F C 2.489 178.222 175.800 -0.112 0.000 1.090 135 F CA 1.064 58.983 58.000 -0.134 0.000 1.293 135 F CB -0.703 38.233 39.000 -0.106 0.000 1.013 135 F HN 0.034 nan 8.300 nan 0.000 0.486 136 Q N 0.093 119.825 119.800 -0.112 0.000 2.181 136 Q HA -0.168 4.183 4.340 0.019 0.000 0.205 136 Q C 2.302 178.210 176.000 -0.154 0.000 0.980 136 Q CA 2.426 58.119 55.803 -0.183 0.000 0.862 136 Q CB -0.673 28.010 28.738 -0.092 0.000 0.905 136 Q HN 0.544 nan 8.270 nan 0.000 0.429 137 T N -3.391 111.117 114.554 -0.077 0.000 2.867 137 T HA -0.047 4.315 4.350 0.019 0.000 0.268 137 T C 1.966 176.651 174.700 -0.026 0.000 1.057 137 T CA 1.347 63.426 62.100 -0.035 0.000 1.136 137 T CB -0.337 68.535 68.868 0.007 0.000 0.874 137 T HN 0.150 nan 8.240 nan 0.000 0.466 138 S N 1.704 117.388 115.700 -0.025 0.000 2.355 138 S HA 0.163 4.644 4.470 0.019 0.000 0.222 138 S C 1.961 176.460 174.600 -0.169 0.000 1.031 138 S CA 1.093 59.297 58.200 0.007 0.000 0.993 138 S CB -0.520 62.774 63.200 0.157 0.000 0.859 138 S HN 0.427 nan 8.310 nan 0.000 0.453 139 L N 1.436 122.417 121.223 -0.403 0.000 2.201 139 L HA -0.112 4.240 4.340 0.019 0.000 0.212 139 L C 1.930 178.681 176.870 -0.199 0.000 1.105 139 L CA 0.864 55.471 54.840 -0.389 0.000 0.775 139 L CB -0.611 41.117 42.059 -0.552 0.000 0.913 139 L HN 0.179 nan 8.230 nan 0.000 0.440 140 D N -0.219 120.088 120.400 -0.155 0.000 2.178 140 D HA -0.139 4.513 4.640 0.019 0.000 0.201 140 D C 2.311 178.570 176.300 -0.068 0.000 0.980 140 D CA 0.973 54.918 54.000 -0.092 0.000 0.842 140 D CB -0.072 40.686 40.800 -0.069 0.000 0.948 140 D HN 0.102 nan 8.370 nan 0.000 0.472 141 V N 0.696 120.569 119.914 -0.070 0.000 2.469 141 V HA -0.174 3.958 4.120 0.019 0.000 0.251 141 V C 1.991 178.045 176.094 -0.068 0.000 1.064 141 V CA 1.549 63.814 62.300 -0.057 0.000 1.066 141 V CB -0.420 31.371 31.823 -0.053 0.000 0.667 141 V HN 0.203 nan 8.190 nan 0.000 0.461 142 V N -2.225 117.634 119.914 -0.092 0.000 3.043 142 V HA 0.703 4.834 4.120 0.019 0.000 0.357 142 V C 0.668 176.752 176.094 -0.017 0.000 1.372 142 V CA -0.497 61.771 62.300 -0.054 0.000 1.214 142 V CB -0.450 31.320 31.823 -0.089 0.000 1.224 142 V HN 0.238 nan 8.190 nan 0.000 0.507 143 A N 0.810 123.612 122.820 -0.031 0.000 2.531 143 A HA 0.487 4.818 4.320 0.019 0.000 0.236 143 A C 1.730 179.313 177.584 -0.001 0.000 1.062 143 A CA 0.974 52.997 52.037 -0.024 0.000 0.760 143 A CB -0.540 18.442 19.000 -0.030 0.000 0.995 143 A HN 2.105 nan 8.150 nan 0.000 0.501 144 G N 1.066 109.867 108.800 0.002 0.000 2.184 144 G HA2 -0.249 3.722 3.960 0.019 0.000 0.264 144 G HA3 -0.249 3.722 3.960 0.019 0.000 0.264 144 G C 0.234 175.150 174.900 0.027 0.000 0.975 144 G CA 1.065 46.172 45.100 0.013 0.000 0.642 144 G HN 0.896 nan 8.290 nan 0.000 0.536 145 K N -0.524 119.900 120.400 0.040 0.000 2.221 145 K HA 0.641 4.972 4.320 0.019 0.000 0.243 145 K C 1.533 178.174 176.600 0.068 0.000 0.968 145 K CA -0.045 56.283 56.287 0.068 0.000 0.846 145 K CB 1.385 33.946 32.500 0.101 0.000 1.141 145 K HN 0.177 nan 8.250 nan 0.000 0.434 146 T N -2.541 112.066 114.554 0.087 0.000 3.023 146 T HA 0.132 4.493 4.350 0.019 0.000 0.249 146 T C 0.229 174.858 174.700 -0.118 0.000 1.050 146 T CA 0.426 62.539 62.100 0.021 0.000 1.088 146 T CB -0.054 68.861 68.868 0.079 0.000 0.946 146 T HN 0.507 nan 8.240 nan 0.000 0.480 147 H N 0.246 119.303 119.070 -0.021 0.000 2.946 147 H HA 0.661 5.229 4.556 0.019 0.000 0.365 147 H C -1.209 174.155 175.328 0.060 0.000 1.197 147 H CA -1.316 54.681 56.048 -0.085 0.000 1.131 147 H CB 1.658 31.335 29.762 -0.142 0.000 1.849 147 H HN 0.356 nan 8.280 nan 0.000 0.555 148 F N -0.838 119.138 119.950 0.044 0.000 2.645 148 F HA 0.585 5.123 4.527 0.019 0.000 0.310 148 F C -1.197 174.644 175.800 0.068 0.000 1.102 148 F CA -1.124 56.898 58.000 0.036 0.000 0.952 148 F CB 1.173 40.181 39.000 0.014 0.000 1.326 148 F HN 0.528 nan 8.300 nan 0.000 0.456 149 D N 0.291 120.906 120.400 0.358 0.000 2.595 149 D HA 0.259 4.910 4.640 0.019 0.000 0.268 149 D C 0.616 177.187 176.300 0.451 0.000 1.181 149 D CA -0.388 53.757 54.000 0.243 0.000 1.085 149 D CB -0.001 40.839 40.800 0.067 0.000 1.186 149 D HN 0.477 nan 8.370 nan 0.000 0.621 150 Y N -0.332 120.090 120.300 0.202 0.000 2.224 150 Y HA 0.013 4.574 4.550 0.018 0.000 0.289 150 Y C 2.615 178.601 175.900 0.144 0.000 1.146 150 Y CA 1.492 59.628 58.100 0.060 0.000 1.182 150 Y CB -1.163 37.203 38.460 -0.156 0.000 0.983 150 Y HN 0.535 nan 8.280 nan 0.000 0.524 151 A N -0.075 122.914 122.820 0.281 0.000 1.930 151 A HA -0.151 4.180 4.320 0.019 0.000 0.217 151 A C 1.963 179.653 177.584 0.178 0.000 1.175 151 A CA 1.788 53.936 52.037 0.184 0.000 0.627 151 A CB -0.589 18.489 19.000 0.130 0.000 0.815 151 A HN 0.348 nan 8.150 nan 0.000 0.443 152 D N -0.739 119.793 120.400 0.220 0.000 2.117 152 D HA -0.154 4.497 4.640 0.019 0.000 0.197 152 D C 1.809 178.166 176.300 0.095 0.000 0.987 152 D CA 1.747 55.832 54.000 0.142 0.000 0.829 152 D CB -0.358 40.556 40.800 0.191 0.000 0.961 152 D HN 0.436 nan 8.370 nan 0.000 0.460 153 M N 1.154 120.934 119.600 0.299 0.000 2.159 153 M HA -0.126 4.365 4.480 0.019 0.000 0.263 153 M C 1.480 177.936 176.300 0.260 0.000 1.063 153 M CA 1.270 56.748 55.300 0.297 0.000 1.110 153 M CB -0.375 32.629 32.600 0.673 0.000 1.374 153 M HN -0.176 nan 8.290 nan 0.000 0.411 154 N N 0.184 119.021 118.700 0.227 0.000 2.142 154 N HA -0.151 4.600 4.740 0.019 0.000 0.186 154 N C 1.488 177.072 175.510 0.124 0.000 1.023 154 N CA 1.504 54.652 53.050 0.164 0.000 0.852 154 N CB -0.147 38.412 38.487 0.119 0.000 0.998 154 N HN 0.426 nan 8.380 nan 0.000 0.424 155 E N 0.266 120.525 120.200 0.099 0.000 2.110 155 E HA -0.117 4.244 4.350 0.019 0.000 0.193 155 E C 2.136 178.783 176.600 0.078 0.000 0.988 155 E CA 0.640 57.080 56.400 0.065 0.000 0.804 155 E CB -0.152 29.572 29.700 0.040 0.000 0.745 155 E HN 0.530 nan 8.360 nan 0.000 0.458 156 I N 1.273 121.903 120.570 0.099 0.000 2.142 156 I HA -0.304 3.878 4.170 0.019 0.000 0.240 156 I C 2.617 178.891 176.117 0.261 0.000 1.078 156 I CA 1.605 63.007 61.300 0.169 0.000 1.343 156 I CB -0.290 37.822 38.000 0.187 0.000 1.046 156 I HN 0.074 nan 8.210 nan 0.000 0.405 157 R N 1.628 122.313 120.500 0.310 0.000 2.115 157 R HA -0.087 4.265 4.340 0.019 0.000 0.230 157 R C 1.947 178.295 176.300 0.081 0.000 1.111 157 R CA 1.387 57.617 56.100 0.216 0.000 0.976 157 R CB -1.143 29.296 30.300 0.232 0.000 0.870 157 R HN 0.287 nan 8.270 nan 0.000 0.445 158 L N 0.310 121.575 121.223 0.071 0.000 2.046 158 L HA -0.132 4.219 4.340 0.019 0.000 0.208 158 L C 2.838 179.716 176.870 0.013 0.000 1.077 158 L CA 1.716 56.567 54.840 0.018 0.000 0.747 158 L CB -0.496 41.575 42.059 0.020 0.000 0.896 158 L HN 0.322 nan 8.230 nan 0.000 0.432 159 Q N -0.154 119.671 119.800 0.041 0.000 2.084 159 Q HA -0.193 4.159 4.340 0.019 0.000 0.202 159 Q C 2.357 178.385 176.000 0.047 0.000 0.978 159 Q CA 1.491 57.315 55.803 0.036 0.000 0.844 159 Q CB 0.070 28.836 28.738 0.046 0.000 0.898 159 Q HN 0.186 nan 8.270 nan 0.000 0.426 160 R N 0.412 120.964 120.500 0.088 0.000 2.081 160 R HA -0.099 4.252 4.340 0.019 0.000 0.235 160 R C 2.107 178.484 176.300 0.129 0.000 1.131 160 R CA 1.611 57.784 56.100 0.121 0.000 0.960 160 R CB -0.492 29.896 30.300 0.147 0.000 0.856 160 R HN 0.536 nan 8.270 nan 0.000 0.436 161 E N 0.738 120.963 120.200 0.042 0.000 2.077 161 E HA -0.154 4.207 4.350 0.019 0.000 0.193 161 E C 2.038 178.559 176.600 -0.131 0.000 0.989 161 E CA 1.755 58.145 56.400 -0.017 0.000 0.800 161 E CB -0.072 29.526 29.700 -0.169 0.000 0.746 161 E HN 0.376 nan 8.360 nan 0.000 0.452 162 S N 1.118 116.756 115.700 -0.103 0.000 2.355 162 S HA -0.129 4.352 4.470 0.019 0.000 0.222 162 S C 2.158 176.687 174.600 -0.119 0.000 1.031 162 S CA 0.652 58.773 58.200 -0.132 0.000 0.993 162 S CB -0.588 62.568 63.200 -0.074 0.000 0.859 162 S HN 0.146 nan 8.310 nan 0.000 0.453 163 L N 1.445 122.641 121.223 -0.046 0.000 2.012 163 L HA -0.108 4.243 4.340 0.019 0.000 0.210 163 L C 3.027 179.890 176.870 -0.011 0.000 1.073 163 L CA 1.699 56.529 54.840 -0.017 0.000 0.748 163 L CB -0.737 41.337 42.059 0.024 0.000 0.891 163 L HN 0.367 nan 8.230 nan 0.000 0.431 164 S N -0.472 115.251 115.700 0.038 0.000 2.383 164 S HA -0.163 4.318 4.470 0.019 0.000 0.227 164 S C 1.735 176.299 174.600 -0.060 0.000 1.026 164 S CA 1.295 59.583 58.200 0.148 0.000 0.981 164 S CB -0.407 63.071 63.200 0.463 0.000 0.818 164 S HN 0.401 nan 8.310 nan 0.000 0.472 165 N N 1.507 119.846 118.700 -0.602 0.000 2.149 165 N HA -0.121 4.630 4.740 0.019 0.000 0.188 165 N C 1.543 176.885 175.510 -0.280 0.000 1.019 165 N CA 1.353 53.898 53.050 -0.841 0.000 0.857 165 N CB -0.161 37.693 38.487 -1.055 0.000 0.997 165 N HN 0.525 nan 8.380 nan 0.000 0.426 166 E N -0.627 119.466 120.200 -0.178 0.000 2.112 166 E HA -0.034 4.328 4.350 0.019 0.000 0.190 166 E C 1.677 178.255 176.600 -0.036 0.000 0.979 166 E CA 0.620 56.966 56.400 -0.090 0.000 0.814 166 E CB 0.088 29.744 29.700 -0.073 0.000 0.762 166 E HN 0.390 nan 8.360 nan 0.000 0.460 167 L N 0.787 122.009 121.223 -0.001 0.000 2.416 167 L HA 0.065 4.416 4.340 0.019 0.000 0.216 167 L C 0.324 177.248 176.870 0.090 0.000 1.098 167 L CA -0.081 54.781 54.840 0.036 0.000 0.840 167 L CB 0.179 42.262 42.059 0.040 0.000 0.981 167 L HN -0.072 nan 8.230 nan 0.000 0.462 168 D N 0.315 120.812 120.400 0.160 0.000 2.372 168 D HA 0.043 4.694 4.640 0.019 0.000 0.243 168 D C -0.255 176.200 176.300 0.259 0.000 1.121 168 D CA -0.193 53.974 54.000 0.278 0.000 0.898 168 D CB 0.663 41.774 40.800 0.517 0.000 1.202 168 D HN -0.195 nan 8.370 nan 0.000 0.428 169 F N 2.271 122.318 119.950 0.161 0.000 2.629 169 F HA 0.087 4.625 4.527 0.019 0.000 0.377 169 F C -1.747 174.187 175.800 0.223 0.000 1.101 169 F CA -1.195 56.894 58.000 0.147 0.000 1.301 169 F CB 0.310 39.369 39.000 0.098 0.000 1.062 169 F HN 0.150 nan 8.300 nan 0.000 0.583 170 P HA 0.153 nan 4.420 nan 0.000 0.261 170 P C 0.403 177.828 177.300 0.209 0.000 1.183 170 P CA 1.514 64.563 63.100 -0.085 0.000 0.761 170 P CB 0.465 32.011 31.700 -0.258 0.000 0.785 171 G N 2.461 111.413 108.800 0.252 0.000 2.234 171 G HA2 -0.259 3.712 3.960 0.019 0.000 0.235 171 G HA3 -0.259 3.712 3.960 0.019 0.000 0.235 171 G C 0.993 176.112 174.900 0.364 0.000 0.997 171 G CA 0.100 45.372 45.100 0.286 0.000 0.623 171 G HN 0.564 nan 8.290 nan 0.000 0.514 172 W N 1.009 122.505 121.300 0.327 0.000 2.408 172 W HA 0.327 4.997 4.660 0.018 0.000 0.311 172 W C 1.041 177.787 176.519 0.378 0.000 1.190 172 W CA 0.862 58.419 57.345 0.352 0.000 1.321 172 W CB -0.257 29.394 29.460 0.318 0.000 1.143 172 W HN 0.225 nan 8.180 nan 0.000 0.501 173 F N 3.506 123.572 119.950 0.193 0.000 2.602 173 F HA 0.082 4.621 4.527 0.020 0.000 0.385 173 F C -0.442 175.322 175.800 -0.059 0.000 1.063 173 F CA 1.349 59.412 58.000 0.105 0.000 1.233 173 F CB 0.678 39.782 39.000 0.174 0.000 1.067 173 F HN -0.372 nan 8.300 nan 0.000 0.564 174 T N 6.437 120.436 114.554 -0.925 0.000 2.890 174 T HA 0.136 4.497 4.350 0.019 0.000 0.295 174 T C -0.711 173.474 174.700 -0.858 0.000 0.993 174 T CA -0.717 60.901 62.100 -0.804 0.000 0.979 174 T CB 1.134 69.458 68.868 -0.906 0.000 0.967 174 T HN 0.658 nan 8.240 nan 0.000 0.441 175 E N 1.753 121.614 120.200 -0.564 0.000 2.392 175 E HA 0.262 4.623 4.350 0.019 0.000 0.264 175 E C -0.522 176.044 176.600 -0.056 0.000 1.024 175 E CA -0.056 56.240 56.400 -0.173 0.000 0.903 175 E CB 0.467 30.165 29.700 -0.004 0.000 0.963 175 E HN 0.488 nan 8.360 nan 0.000 0.432 176 S N 3.858 119.654 115.700 0.160 0.000 2.235 176 S HA 0.143 4.624 4.470 0.019 0.000 0.152 176 S C 0.380 174.945 174.600 -0.059 0.000 1.649 176 S CA -0.565 57.583 58.200 -0.085 0.000 1.277 176 S CB 0.588 63.619 63.200 -0.282 0.000 1.299 176 S HN 0.461 nan 8.310 nan 0.000 0.388 177 K N 1.876 122.269 120.400 -0.012 0.000 2.057 177 K HA -0.072 4.259 4.320 0.019 0.000 0.207 177 K C -1.088 175.479 176.600 -0.054 0.000 1.049 177 K CA 1.436 57.713 56.287 -0.018 0.000 0.931 177 K CB -0.790 31.696 32.500 -0.024 0.000 0.714 177 K HN 0.314 nan 8.250 nan 0.000 0.440 178 P HA -0.146 nan 4.420 nan 0.000 0.215 178 P C 1.143 178.392 177.300 -0.086 0.000 1.153 178 P CA 1.257 64.312 63.100 -0.076 0.000 0.853 178 P CB 0.054 31.706 31.700 -0.080 0.000 0.788 179 I N -0.993 119.502 120.570 -0.125 0.000 2.277 179 I HA -0.206 3.975 4.170 0.019 0.000 0.243 179 I C 2.740 178.798 176.117 -0.097 0.000 1.094 179 I CA 1.219 62.467 61.300 -0.087 0.000 1.393 179 I CB -0.725 37.257 38.000 -0.030 0.000 1.078 179 I HN -0.060 nan 8.210 nan 0.000 0.417 180 Q N 1.272 120.893 119.800 -0.298 0.000 2.135 180 Q HA -0.215 4.137 4.340 0.019 0.000 0.204 180 Q C 1.759 177.830 176.000 0.119 0.000 0.981 180 Q CA 1.712 57.460 55.803 -0.092 0.000 0.856 180 Q CB 0.040 28.710 28.738 -0.114 0.000 0.902 180 Q HN 0.479 nan 8.270 nan 0.000 0.425 181 N N -0.571 118.161 118.700 0.053 0.000 2.463 181 N HA -0.050 4.701 4.740 0.019 0.000 0.181 181 N C 1.578 177.107 175.510 0.031 0.000 1.078 181 N CA 0.612 53.721 53.050 0.098 0.000 0.902 181 N CB 0.377 38.904 38.487 0.068 0.000 0.970 181 N HN 0.114 nan 8.380 nan 0.000 0.451 182 V N 1.763 121.634 119.914 -0.071 0.000 2.343 182 V HA -0.201 3.930 4.120 0.019 0.000 0.247 182 V C 1.963 177.786 176.094 -0.452 0.000 1.051 182 V CA 1.625 63.764 62.300 -0.268 0.000 1.036 182 V CB -0.381 31.237 31.823 -0.342 0.000 0.654 182 V HN 0.252 nan 8.190 nan 0.000 0.451 183 E N 0.033 120.137 120.200 -0.159 0.000 2.150 183 E HA -0.152 4.209 4.350 0.019 0.000 0.193 183 E C 2.380 179.236 176.600 0.426 0.000 0.985 183 E CA 1.409 57.921 56.400 0.187 0.000 0.814 183 E CB -0.208 29.796 29.700 0.507 0.000 0.752 183 E HN 0.517 nan 8.360 nan 0.000 0.466 184 S N 0.335 116.293 115.700 0.431 0.000 2.359 184 S HA -0.163 4.319 4.470 0.019 0.000 0.224 184 S C 2.108 177.005 174.600 0.494 0.000 1.035 184 S CA 1.152 59.626 58.200 0.456 0.000 1.018 184 S CB -0.672 62.809 63.200 0.469 0.000 0.876 184 S HN 0.513 nan 8.310 nan 0.000 0.448 185 G N 1.182 110.192 108.800 0.350 0.000 2.440 185 G HA2 -0.181 3.791 3.960 0.019 0.000 0.218 185 G HA3 -0.181 3.791 3.960 0.019 0.000 0.218 185 G C 1.099 176.364 174.900 0.608 0.000 1.154 185 G CA 0.679 46.017 45.100 0.397 0.000 0.767 185 G HN 0.405 nan 8.290 nan 0.000 0.552 186 F N 1.017 121.219 119.950 0.419 0.000 2.126 186 F HA 0.011 4.550 4.527 0.020 0.000 0.299 186 F C 2.664 178.728 175.800 0.439 0.000 1.096 186 F CA 0.085 58.336 58.000 0.418 0.000 1.255 186 F CB -0.814 38.457 39.000 0.451 0.000 0.997 186 F HN 0.105 nan 8.300 nan 0.000 0.479 187 I N -1.503 119.424 120.570 0.595 0.000 2.202 187 I HA -0.318 3.864 4.170 0.019 0.000 0.242 187 I C 2.340 178.525 176.117 0.113 0.000 1.091 187 I CA 1.187 62.674 61.300 0.313 0.000 1.368 187 I CB -0.603 37.276 38.000 -0.201 0.000 1.058 187 I HN -0.066 nan 8.210 nan 0.000 0.410 188 F N 0.956 121.048 119.950 0.237 0.000 2.161 188 F HA -0.240 4.298 4.527 0.017 0.000 0.300 188 F C 2.581 178.627 175.800 0.410 0.000 1.089 188 F CA 1.483 59.654 58.000 0.285 0.000 1.282 188 F CB -0.707 38.513 39.000 0.366 0.000 1.010 188 F HN 0.015 nan 8.300 nan 0.000 0.485 189 A N -0.626 122.571 122.820 0.630 0.000 1.898 189 A HA -0.114 4.217 4.320 0.019 0.000 0.216 189 A C 2.056 179.712 177.584 0.120 0.000 1.181 189 A CA 1.514 53.699 52.037 0.247 0.000 0.620 189 A CB -0.835 18.369 19.000 0.340 0.000 0.819 189 A HN 0.341 nan 8.150 nan 0.000 0.442 190 L N -0.456 120.879 121.223 0.187 0.000 2.168 190 L HA 0.074 4.425 4.340 0.019 0.000 0.203 190 L C 1.689 178.706 176.870 0.245 0.000 1.078 190 L CA 1.921 56.830 54.840 0.116 0.000 0.780 190 L CB 0.396 42.350 42.059 -0.174 0.000 0.939 190 L HN 0.369 nan 8.230 nan 0.000 0.451 191 V N -3.215 116.825 119.914 0.210 0.000 3.159 191 V HA 0.396 4.528 4.120 0.019 0.000 0.333 191 V C 0.557 176.774 176.094 0.206 0.000 1.424 191 V CA 0.009 62.508 62.300 0.333 0.000 1.125 191 V CB -0.769 31.260 31.823 0.344 0.000 1.075 191 V HN 0.334 nan 8.190 nan 0.000 0.482 192 S N 0.058 115.823 115.700 0.109 0.000 2.585 192 S HA 0.279 4.760 4.470 0.019 0.000 0.273 192 S C 0.015 174.610 174.600 -0.009 0.000 1.339 192 S CA -0.041 58.171 58.200 0.020 0.000 1.028 192 S CB 1.188 64.508 63.200 0.200 0.000 0.906 192 S HN 0.457 nan 8.310 nan 0.000 0.528 193 D N 2.032 122.344 120.400 -0.146 0.000 2.435 193 D HA 0.159 4.810 4.640 0.019 0.000 0.230 193 D C 0.698 176.902 176.300 -0.160 0.000 1.215 193 D CA -0.864 52.942 54.000 -0.324 0.000 0.947 193 D CB -0.479 40.182 40.800 -0.232 0.000 1.048 193 D HN 0.547 nan 8.370 nan 0.000 0.512 194 F N 1.741 121.764 119.950 0.122 0.000 2.641 194 F HA 0.084 4.623 4.527 0.019 0.000 0.298 194 F C 1.130 176.960 175.800 0.050 0.000 1.146 194 F CA -0.034 57.995 58.000 0.048 0.000 1.464 194 F CB -1.197 37.780 39.000 -0.037 0.000 1.101 194 F HN 0.175 nan 8.300 nan 0.000 0.585 195 N N 0.254 119.088 118.700 0.223 0.000 2.412 195 N HA 0.149 4.900 4.740 0.019 0.000 0.184 195 N C 0.073 175.642 175.510 0.097 0.000 1.101 195 N CA -0.080 53.096 53.050 0.210 0.000 0.881 195 N CB 0.155 38.745 38.487 0.172 0.000 0.969 195 N HN 0.252 nan 8.380 nan 0.000 0.459 196 L N 1.425 122.678 121.223 0.050 0.000 2.350 196 L HA 0.251 4.603 4.340 0.019 0.000 0.275 196 L C -1.030 175.868 176.870 0.047 0.000 1.099 196 L CA -1.684 53.165 54.840 0.014 0.000 0.808 196 L CB 0.825 42.861 42.059 -0.037 0.000 1.149 196 L HN -0.078 nan 8.230 nan 0.000 0.442 197 P HA -0.155 nan 4.420 nan 0.000 0.218 197 P C 0.221 177.549 177.300 0.047 0.000 1.148 197 P CA 1.204 64.329 63.100 0.041 0.000 0.822 197 P CB 0.045 31.760 31.700 0.025 0.000 0.784 198 D N -1.354 119.069 120.400 0.038 0.000 2.755 198 D HA -0.015 4.636 4.640 0.019 0.000 0.257 198 D C 1.055 177.395 176.300 0.066 0.000 1.291 198 D CA -0.574 53.453 54.000 0.046 0.000 0.836 198 D CB -1.404 39.411 40.800 0.024 0.000 1.059 198 D HN 0.099 nan 8.370 nan 0.000 0.486 199 N N 1.182 119.939 118.700 0.094 0.000 2.094 199 N HA -0.189 4.562 4.740 0.019 0.000 0.191 199 N C 0.402 176.042 175.510 0.217 0.000 1.023 199 N CA 1.190 54.324 53.050 0.141 0.000 0.857 199 N CB 0.214 38.803 38.487 0.169 0.000 1.013 199 N HN 0.069 nan 8.380 nan 0.000 0.426 200 D N 0.319 120.848 120.400 0.214 0.000 2.277 200 D HA -0.069 4.583 4.640 0.019 0.000 0.208 200 D C 1.509 177.925 176.300 0.193 0.000 0.962 200 D CA 0.778 54.958 54.000 0.300 0.000 0.865 200 D CB 0.004 40.949 40.800 0.242 0.000 0.939 200 D HN 0.594 nan 8.370 nan 0.000 0.510 201 E N 0.310 120.579 120.200 0.116 0.000 2.075 201 E HA 0.047 4.408 4.350 0.019 0.000 0.190 201 E C 0.326 176.955 176.600 0.049 0.000 0.969 201 E CA 0.425 56.867 56.400 0.070 0.000 0.815 201 E CB 0.000 29.730 29.700 0.050 0.000 0.776 201 E HN 0.128 nan 8.360 nan 0.000 0.457 202 N N 1.951 120.661 118.700 0.017 0.000 2.791 202 N HA 0.171 4.922 4.740 0.019 0.000 0.265 202 N C -2.768 172.679 175.510 -0.106 0.000 1.580 202 N CA -1.171 51.835 53.050 -0.074 0.000 0.809 202 N CB 1.531 39.986 38.487 -0.052 0.000 1.178 202 N HN 0.020 nan 8.380 nan 0.000 0.499 203 P HA 0.105 nan 4.420 nan 0.000 0.271 203 P C -0.792 176.528 177.300 0.034 0.000 1.216 203 P CA 0.041 63.178 63.100 0.062 0.000 0.771 203 P CB 1.347 33.250 31.700 0.338 0.000 0.864 204 L N 3.048 124.287 121.223 0.027 0.000 2.349 204 L HA 0.346 4.697 4.340 0.019 0.000 0.278 204 L C 0.185 176.923 176.870 -0.220 0.000 0.996 204 L CA -1.376 53.431 54.840 -0.055 0.000 0.825 204 L CB 2.090 44.135 42.059 -0.024 0.000 1.243 204 L HN 0.086 nan 8.230 nan 0.000 0.412 205 V N 3.653 123.172 119.914 -0.659 0.000 2.529 205 V HA 0.092 4.224 4.120 0.019 0.000 0.292 205 V C 0.774 176.453 176.094 -0.693 0.000 1.028 205 V CA -0.135 61.627 62.300 -0.895 0.000 1.074 205 V CB 0.630 31.367 31.823 -1.810 0.000 0.958 205 V HN 0.668 nan 8.190 nan 0.000 0.481 206 R N 4.150 124.292 120.500 -0.597 0.000 2.288 206 R HA 0.290 4.641 4.340 0.019 0.000 0.330 206 R C 1.025 177.137 176.300 -0.312 0.000 1.069 206 R CA -0.230 55.407 56.100 -0.771 0.000 0.941 206 R CB 0.463 30.008 30.300 -1.258 0.000 0.998 206 R HN 0.670 nan 8.270 nan 0.000 0.452 207 I N 2.474 122.924 120.570 -0.200 0.000 2.226 207 I HA -0.342 3.840 4.170 0.019 0.000 0.245 207 I C 1.898 178.112 176.117 0.161 0.000 1.100 207 I CA 1.374 62.761 61.300 0.144 0.000 1.374 207 I CB -0.230 37.868 38.000 0.164 0.000 1.057 207 I HN 0.671 nan 8.210 nan 0.000 0.413 208 D N 0.298 120.718 120.400 0.032 0.000 2.144 208 D HA -0.252 4.400 4.640 0.019 0.000 0.199 208 D C 1.864 178.376 176.300 0.353 0.000 0.984 208 D CA 1.269 55.357 54.000 0.147 0.000 0.834 208 D CB -0.777 40.079 40.800 0.094 0.000 0.955 208 D HN 0.346 nan 8.370 nan 0.000 0.465 209 W N 0.359 121.720 121.300 0.101 0.000 2.381 209 W HA 0.010 4.682 4.660 0.021 0.000 0.301 209 W C 2.195 178.883 176.519 0.283 0.000 1.205 209 W CA -0.394 57.011 57.345 0.100 0.000 1.285 209 W CB -1.545 27.914 29.460 -0.001 0.000 1.133 209 W HN 0.122 nan 8.180 nan 0.000 0.521 210 W N 1.542 123.037 121.300 0.325 0.000 2.354 210 W HA -0.195 4.476 4.660 0.018 0.000 0.315 210 W C 2.159 178.839 176.519 0.267 0.000 1.206 210 W CA 1.959 59.463 57.345 0.265 0.000 1.290 210 W CB -0.725 28.793 29.460 0.097 0.000 1.152 210 W HN -0.131 nan 8.180 nan 0.000 0.489 211 K N -1.346 119.241 120.400 0.312 0.000 2.063 211 K HA -0.265 4.067 4.320 0.019 0.000 0.208 211 K C 2.096 178.824 176.600 0.213 0.000 1.048 211 K CA 1.896 58.333 56.287 0.250 0.000 0.928 211 K CB -0.909 31.704 32.500 0.188 0.000 0.713 211 K HN 0.144 nan 8.250 nan 0.000 0.442 212 Y N 0.169 120.567 120.300 0.163 0.000 2.114 212 Y HA -0.275 4.286 4.550 0.018 0.000 0.284 212 Y C 2.169 178.124 175.900 0.091 0.000 1.143 212 Y CA 1.540 59.703 58.100 0.105 0.000 1.135 212 Y CB -0.460 38.076 38.460 0.126 0.000 0.980 212 Y HN 0.245 nan 8.280 nan 0.000 0.499 213 W N 0.151 121.603 121.300 0.254 0.000 2.335 213 W HA -0.267 4.405 4.660 0.019 0.000 0.311 213 W C 1.703 178.261 176.519 0.064 0.000 1.213 213 W CA 1.964 59.381 57.345 0.119 0.000 1.274 213 W CB -1.302 28.241 29.460 0.138 0.000 1.148 213 W HN 0.101 nan 8.180 nan 0.000 0.498 214 F N 0.714 120.381 119.950 -0.471 0.000 2.163 214 F HA -0.106 4.432 4.527 0.019 0.000 0.297 214 F C 2.649 177.782 175.800 -1.112 0.000 1.094 214 F CA 2.225 59.665 58.000 -0.933 0.000 1.290 214 F CB -1.183 36.999 39.000 -1.363 0.000 1.017 214 F HN -0.245 nan 8.300 nan 0.000 0.483 215 T N -0.384 113.738 114.554 -0.720 0.000 2.812 215 T HA -0.105 4.257 4.350 0.019 0.000 0.264 215 T C 1.635 176.046 174.700 -0.482 0.000 1.042 215 T CA 1.349 62.910 62.100 -0.899 0.000 1.140 215 T CB -0.169 68.482 68.868 -0.362 0.000 0.870 215 T HN 0.096 nan 8.240 nan 0.000 0.445 216 N N 0.706 119.198 118.700 -0.346 0.000 2.392 216 N HA 0.050 4.802 4.740 0.019 0.000 0.177 216 N C 0.078 175.514 175.510 -0.123 0.000 1.066 216 N CA 0.160 53.037 53.050 -0.288 0.000 0.895 216 N CB 0.082 38.249 38.487 -0.533 0.000 0.988 216 N HN 0.488 nan 8.380 nan 0.000 0.457 217 E N 0.150 120.301 120.200 -0.082 0.000 2.269 217 E HA -0.182 4.179 4.350 0.019 0.000 0.223 217 E C -0.683 175.925 176.600 0.014 0.000 1.244 217 E CA 0.349 56.752 56.400 0.004 0.000 0.713 217 E CB -1.243 28.488 29.700 0.051 0.000 1.178 217 E HN 0.132 nan 8.360 nan 0.000 0.370 218 S N -1.056 114.610 115.700 -0.057 0.000 2.688 218 S HA 0.714 5.195 4.470 0.019 0.000 0.275 218 S C -1.454 172.952 174.600 -0.323 0.000 1.175 218 S CA -0.870 57.234 58.200 -0.161 0.000 0.818 218 S CB 0.923 64.189 63.200 0.111 0.000 1.157 218 S HN 0.163 nan 8.310 nan 0.000 0.482 219 F N 2.399 122.374 119.950 0.042 0.000 2.421 219 F HA 0.457 4.995 4.527 0.019 0.000 0.337 219 F C -1.717 173.686 175.800 -0.661 0.000 1.105 219 F CA -2.129 55.578 58.000 -0.488 0.000 1.049 219 F CB 1.107 39.765 39.000 -0.570 0.000 1.139 219 F HN 0.270 nan 8.300 nan 0.000 0.479 220 P HA 0.030 nan 4.420 nan 0.000 0.237 220 P C 0.488 177.473 177.300 -0.524 0.000 1.723 220 P CA 0.191 62.610 63.100 -1.136 0.000 0.882 220 P CB -0.554 30.643 31.700 -0.837 0.000 1.810 221 Y N 0.309 120.474 120.300 -0.226 0.000 2.241 221 Y HA -0.236 4.324 4.550 0.017 0.000 0.286 221 Y C 2.461 178.378 175.900 0.029 0.000 1.166 221 Y CA 1.663 59.755 58.100 -0.014 0.000 1.203 221 Y CB -1.015 37.452 38.460 0.011 0.000 0.977 221 Y HN 0.303 nan 8.280 nan 0.000 0.529 222 H N -0.935 118.217 119.070 0.137 0.000 2.491 222 H HA 0.014 4.582 4.556 0.020 0.000 0.290 222 H C 1.627 177.055 175.328 0.166 0.000 1.050 222 H CA 0.961 57.101 56.048 0.153 0.000 1.309 222 H CB -0.301 29.561 29.762 0.167 0.000 1.392 222 H HN 0.342 nan 8.280 nan 0.000 0.554 223 L N -0.724 120.650 121.223 0.251 0.000 2.653 223 L HA 0.238 4.590 4.340 0.019 0.000 0.231 223 L C 1.292 178.473 176.870 0.518 0.000 1.153 223 L CA 0.385 55.447 54.840 0.371 0.000 0.933 223 L CB 0.375 42.711 42.059 0.462 0.000 1.175 223 L HN 0.335 nan 8.230 nan 0.000 0.473 224 G N -0.659 108.358 108.800 0.362 0.000 2.176 224 G HA2 -0.321 3.650 3.960 0.019 0.000 0.253 224 G HA3 -0.321 3.650 3.960 0.019 0.000 0.253 224 G C -0.012 175.025 174.900 0.229 0.000 0.979 224 G CA -0.135 45.187 45.100 0.369 0.000 0.641 224 G HN 0.407 nan 8.290 nan 0.000 0.530 225 W N 2.613 123.641 121.300 -0.453 0.000 2.158 225 W HA 0.553 5.223 4.660 0.015 0.000 0.339 225 W C 0.705 176.885 176.519 -0.564 0.000 1.294 225 W CA 1.014 57.666 57.345 -1.155 0.000 1.231 225 W CB 0.383 28.800 29.460 -1.738 0.000 1.143 225 W HN 0.588 nan 8.180 nan 0.000 0.571 226 H N 1.825 120.015 119.070 -1.465 0.000 3.008 226 H HA 0.584 5.150 4.556 0.018 0.000 0.354 226 H C -2.832 171.014 175.328 -2.470 0.000 1.252 226 H CA -2.918 52.083 56.048 -1.744 0.000 1.117 226 H CB 0.671 29.771 29.762 -1.103 0.000 1.857 226 H HN 0.066 nan 8.280 nan 0.000 0.547 227 P HA 0.083 nan 4.420 nan 0.000 0.264 227 P C -2.485 174.375 177.300 -0.734 0.000 1.193 227 P CA -0.644 61.862 63.100 -0.991 0.000 0.763 227 P CB -0.161 31.242 31.700 -0.495 0.000 0.810 228 P HA -0.009 nan 4.420 nan 0.000 0.264 228 P C -0.257 176.842 177.300 -0.335 0.000 1.183 228 P CA 0.768 63.590 63.100 -0.463 0.000 0.763 228 P CB 0.397 31.951 31.700 -0.243 0.000 0.807 229 S N 2.731 118.250 115.700 -0.303 0.000 2.672 229 S HA 0.566 5.047 4.470 0.019 0.000 0.291 229 S C -2.388 172.141 174.600 -0.119 0.000 1.145 229 S CA -1.334 56.773 58.200 -0.156 0.000 1.013 229 S CB 0.205 63.380 63.200 -0.040 0.000 1.017 229 S HN 0.250 nan 8.310 nan 0.000 0.487 230 P HA 0.390 nan 4.420 nan 0.000 0.273 230 P C -0.370 176.869 177.300 -0.102 0.000 1.250 230 P CA -0.546 62.502 63.100 -0.085 0.000 0.793 230 P CB 0.199 31.864 31.700 -0.057 0.000 1.011 231 A N 2.070 124.835 122.820 -0.091 0.000 2.531 231 A HA 0.086 4.417 4.320 0.019 0.000 0.236 231 A C 0.744 178.284 177.584 -0.073 0.000 1.062 231 A CA -0.195 51.789 52.037 -0.088 0.000 0.760 231 A CB -0.162 18.800 19.000 -0.064 0.000 0.995 231 A HN 0.407 nan 8.150 nan 0.000 0.501 232 R N 1.793 122.239 120.500 -0.090 0.000 2.623 232 R HA 0.188 4.539 4.340 0.019 0.000 0.271 232 R C -0.022 176.286 176.300 0.014 0.000 1.043 232 R CA 0.208 56.258 56.100 -0.084 0.000 1.083 232 R CB 0.237 30.459 30.300 -0.130 0.000 0.974 232 R HN 0.762 nan 8.270 nan 0.000 0.436 233 E N 1.293 121.539 120.200 0.076 0.000 2.281 233 E HA 0.112 4.473 4.350 0.019 0.000 0.262 233 E C 1.133 177.842 176.600 0.181 0.000 0.933 233 E CA -0.947 55.518 56.400 0.109 0.000 0.809 233 E CB 1.415 31.168 29.700 0.089 0.000 1.242 233 E HN 0.256 nan 8.360 nan 0.000 0.418 234 I N 1.614 122.276 120.570 0.153 0.000 2.335 234 I HA -0.261 3.921 4.170 0.019 0.000 0.251 234 I C 2.042 178.259 176.117 0.166 0.000 1.129 234 I CA 1.639 63.042 61.300 0.172 0.000 1.402 234 I CB -0.191 37.885 38.000 0.126 0.000 1.069 234 I HN 0.548 nan 8.210 nan 0.000 0.424 235 E N 0.038 120.323 120.200 0.142 0.000 2.085 235 E HA -0.315 4.046 4.350 0.019 0.000 0.194 235 E C 2.271 178.952 176.600 0.136 0.000 0.994 235 E CA 1.613 58.079 56.400 0.110 0.000 0.801 235 E CB -0.571 29.184 29.700 0.092 0.000 0.743 235 E HN 0.525 nan 8.360 nan 0.000 0.453 236 F N 1.072 121.069 119.950 0.079 0.000 2.095 236 F HA -0.228 4.310 4.527 0.019 0.000 0.298 236 F C 2.306 178.177 175.800 0.119 0.000 1.104 236 F CA 1.573 59.633 58.000 0.100 0.000 1.232 236 F CB -0.439 38.634 39.000 0.122 0.000 0.987 236 F HN -0.136 nan 8.300 nan 0.000 0.475 237 V N 0.336 120.489 119.914 0.399 0.000 2.261 237 V HA -0.343 3.788 4.120 0.019 0.000 0.246 237 V C 2.614 178.758 176.094 0.084 0.000 1.047 237 V CA 2.542 65.034 62.300 0.320 0.000 1.015 237 V CB -1.459 30.606 31.823 0.403 0.000 0.642 237 V HN 0.640 nan 8.190 nan 0.000 0.446 238 T N -3.133 111.450 114.554 0.047 0.000 2.942 238 T HA -0.146 4.216 4.350 0.019 0.000 0.265 238 T C 2.035 176.677 174.700 -0.097 0.000 1.062 238 T CA 1.494 63.580 62.100 -0.023 0.000 1.139 238 T CB -0.287 68.576 68.868 -0.007 0.000 0.883 238 T HN 0.371 nan 8.240 nan 0.000 0.468 239 S N 1.518 117.143 115.700 -0.124 0.000 2.356 239 S HA 0.004 4.485 4.470 0.019 0.000 0.223 239 S C 2.484 176.867 174.600 -0.362 0.000 1.032 239 S CA 1.334 59.406 58.200 -0.213 0.000 1.005 239 S CB -0.992 62.086 63.200 -0.203 0.000 0.867 239 S HN 0.740 nan 8.310 nan 0.000 0.449 240 A N 0.643 123.217 122.820 -0.410 0.000 1.908 240 A HA -0.073 4.258 4.320 0.019 0.000 0.218 240 A C 2.437 179.760 177.584 -0.434 0.000 1.181 240 A CA 2.252 53.974 52.037 -0.525 0.000 0.627 240 A CB -1.523 17.326 19.000 -0.250 0.000 0.818 240 A HN 0.635 nan 8.150 nan 0.000 0.445 241 S N -0.590 114.993 115.700 -0.196 0.000 2.359 241 S HA -0.195 4.287 4.470 0.019 0.000 0.224 241 S C 2.361 176.856 174.600 -0.175 0.000 1.035 241 S CA 2.245 60.375 58.200 -0.115 0.000 1.018 241 S CB -0.541 62.618 63.200 -0.068 0.000 0.876 241 S HN 0.668 nan 8.310 nan 0.000 0.448 242 S N 0.512 116.087 115.700 -0.207 0.000 2.368 242 S HA 0.026 4.507 4.470 0.019 0.000 0.225 242 S C 2.073 176.509 174.600 -0.275 0.000 1.030 242 S CA 1.415 59.498 58.200 -0.195 0.000 0.999 242 S CB -0.793 62.309 63.200 -0.164 0.000 0.844 242 S HN 0.710 nan 8.310 nan 0.000 0.459 243 A N 0.836 123.368 122.820 -0.479 0.000 1.898 243 A HA 0.029 4.360 4.320 0.019 0.000 0.216 243 A C 2.334 179.595 177.584 -0.537 0.000 1.181 243 A CA 1.648 53.289 52.037 -0.660 0.000 0.620 243 A CB -1.054 17.156 19.000 -1.318 0.000 0.819 243 A HN 0.443 nan 8.150 nan 0.000 0.442 244 V N 0.247 119.863 119.914 -0.496 0.000 2.255 244 V HA -0.286 3.845 4.120 0.019 0.000 0.247 244 V C 2.531 178.594 176.094 -0.052 0.000 1.051 244 V CA 2.150 64.373 62.300 -0.128 0.000 1.018 244 V CB -0.741 31.105 31.823 0.038 0.000 0.641 244 V HN 0.589 nan 8.190 nan 0.000 0.445 245 L N -0.194 120.984 121.223 -0.075 0.000 2.275 245 L HA -0.055 4.297 4.340 0.019 0.000 0.215 245 L C 2.440 179.280 176.870 -0.050 0.000 1.119 245 L CA 1.148 55.963 54.840 -0.042 0.000 0.790 245 L CB -0.590 41.442 42.059 -0.045 0.000 0.919 245 L HN 0.371 nan 8.230 nan 0.000 0.443 246 A N 0.020 122.789 122.820 -0.085 0.000 2.169 246 A HA 0.320 4.652 4.320 0.019 0.000 0.212 246 A C 1.340 178.899 177.584 -0.041 0.000 1.153 246 A CA 0.452 52.447 52.037 -0.070 0.000 0.756 246 A CB -0.273 18.669 19.000 -0.097 0.000 0.813 246 A HN 0.261 nan 8.150 nan 0.000 0.471 247 A N 0.060 122.863 122.820 -0.027 0.000 2.425 247 A HA 0.472 4.804 4.320 0.019 0.000 0.249 247 A C 0.660 178.258 177.584 0.023 0.000 1.084 247 A CA 0.124 52.171 52.037 0.016 0.000 0.781 247 A CB -0.002 19.037 19.000 0.065 0.000 1.019 247 A HN 0.322 nan 8.150 nan 0.000 0.490 248 S N 0.759 116.476 115.700 0.028 0.000 2.531 248 S HA 0.336 4.817 4.470 0.019 0.000 0.279 248 S C -0.052 174.566 174.600 0.030 0.000 1.305 248 S CA -0.454 57.760 58.200 0.022 0.000 1.058 248 S CB -0.040 63.171 63.200 0.019 0.000 0.899 248 S HN 0.611 nan 8.310 nan 0.000 0.493 249 V N 5.756 125.683 119.914 0.022 0.000 2.385 249 V HA 0.255 4.386 4.120 0.019 0.000 0.269 249 V C 1.307 177.412 176.094 0.018 0.000 1.043 249 V CA -0.044 62.269 62.300 0.023 0.000 0.906 249 V CB 0.764 32.597 31.823 0.016 0.000 0.995 249 V HN 1.087 nan 8.190 nan 0.000 0.467 250 T N -0.387 114.179 114.554 0.021 0.000 3.023 250 T HA 0.183 4.545 4.350 0.019 0.000 0.253 250 T C 0.609 175.316 174.700 0.012 0.000 1.038 250 T CA 0.218 62.328 62.100 0.016 0.000 0.962 250 T CB 0.401 69.281 68.868 0.020 0.000 1.018 250 T HN 0.539 nan 8.240 nan 0.000 0.521 251 S N 1.070 116.778 115.700 0.013 0.000 2.736 251 S HA 0.516 4.997 4.470 0.019 0.000 0.285 251 S C -1.113 173.490 174.600 0.006 0.000 1.163 251 S CA -0.462 57.742 58.200 0.008 0.000 1.025 251 S CB 1.318 64.523 63.200 0.008 0.000 1.030 251 S HN 0.278 nan 8.310 nan 0.000 0.486 252 T N 6.873 121.427 114.554 0.000 0.000 2.756 252 T HA 0.549 4.911 4.350 0.019 0.000 0.290 252 T C -2.476 172.219 174.700 -0.009 0.000 0.985 252 T CA -0.894 61.203 62.100 -0.004 0.000 0.955 252 T CB 1.082 69.947 68.868 -0.006 0.000 0.930 252 T HN 0.492 nan 8.240 nan 0.000 0.451 253 P HA 0.389 nan 4.420 nan 0.000 0.274 253 P C -0.238 177.045 177.300 -0.028 0.000 1.237 253 P CA -0.543 62.545 63.100 -0.020 0.000 0.793 253 P CB 0.570 32.257 31.700 -0.021 0.000 0.977 254 S N -0.179 115.502 115.700 -0.033 0.000 2.661 254 S HA 0.270 4.751 4.470 0.019 0.000 0.265 254 S C 0.336 174.901 174.600 -0.058 0.000 1.225 254 S CA -0.240 57.937 58.200 -0.039 0.000 0.986 254 S CB 0.032 63.212 63.200 -0.034 0.000 1.008 254 S HN 0.534 nan 8.310 nan 0.000 0.565 255 S N -0.622 115.039 115.700 -0.065 0.000 3.561 255 S HA -0.133 4.348 4.470 0.019 0.000 0.318 255 S C -0.080 174.442 174.600 -0.129 0.000 1.181 255 S CA 0.226 58.369 58.200 -0.096 0.000 0.916 255 S CB -1.884 61.250 63.200 -0.110 0.000 0.966 255 S HN 0.530 nan 8.310 nan 0.000 0.550 256 L N 2.381 123.549 121.223 -0.092 0.000 2.397 256 L HA 0.363 4.714 4.340 0.019 0.000 0.271 256 L C -1.160 175.672 176.870 -0.063 0.000 1.148 256 L CA -1.796 52.991 54.840 -0.088 0.000 0.825 256 L CB 0.144 42.172 42.059 -0.052 0.000 1.117 256 L HN 0.045 nan 8.230 nan 0.000 0.456 257 P HA -0.000 nan 4.420 nan 0.000 0.272 257 P C -0.460 176.856 177.300 0.027 0.000 1.230 257 P CA -0.427 62.701 63.100 0.048 0.000 0.788 257 P CB 0.800 32.629 31.700 0.215 0.000 0.949 258 S N 0.109 115.825 115.700 0.027 0.000 2.537 258 S HA 0.333 4.814 4.470 0.019 0.000 0.286 258 S C 1.413 176.016 174.600 0.006 0.000 1.299 258 S CA 0.930 59.136 58.200 0.010 0.000 1.067 258 S CB -1.387 61.818 63.200 0.008 0.000 0.864 258 S HN 0.907 nan 8.310 nan 0.000 0.494 259 G N 3.352 112.150 108.800 -0.004 0.000 2.159 259 G HA2 -0.268 3.704 3.960 0.019 0.000 0.256 259 G HA3 -0.268 3.704 3.960 0.019 0.000 0.256 259 G C 1.001 175.894 174.900 -0.011 0.000 0.977 259 G CA 0.522 45.617 45.100 -0.009 0.000 0.652 259 G HN 1.331 nan 8.290 nan 0.000 0.531 260 A N -0.190 122.625 122.820 -0.009 0.000 1.873 260 A HA 0.189 4.520 4.320 0.019 0.000 0.218 260 A C 1.431 179.005 177.584 -0.017 0.000 1.193 260 A CA 1.479 53.507 52.037 -0.016 0.000 0.629 260 A CB -0.227 18.760 19.000 -0.021 0.000 0.826 260 A HN 0.950 nan 8.150 nan 0.000 0.447 261 I N -0.041 120.521 120.570 -0.013 0.000 2.452 261 I HA 0.475 4.656 4.170 0.019 0.000 0.287 261 I C 0.791 176.900 176.117 -0.013 0.000 1.079 261 I CA 0.689 61.983 61.300 -0.010 0.000 1.387 261 I CB 0.247 38.242 38.000 -0.007 0.000 1.404 261 I HN 0.571 nan 8.210 nan 0.000 0.522 262 G N 7.277 116.068 108.800 -0.015 0.000 2.355 262 G HA2 -0.007 3.964 3.960 0.019 0.000 0.619 262 G HA3 -0.007 3.964 3.960 0.019 0.000 0.619 262 G C -3.166 171.718 174.900 -0.027 0.000 1.337 262 G CA -1.165 43.922 45.100 -0.020 0.000 0.993 262 G HN 0.393 nan 8.290 nan 0.000 0.599 263 P HA 0.427 nan 4.420 nan 0.000 0.269 263 P C 0.541 177.818 177.300 -0.039 0.000 1.217 263 P CA 0.790 63.865 63.100 -0.041 0.000 0.783 263 P CB 0.765 32.440 31.700 -0.042 0.000 0.898 264 G N -0.348 108.426 108.800 -0.044 0.000 2.473 264 G HA2 0.578 4.550 3.960 0.019 0.000 0.321 264 G HA3 0.578 4.550 3.960 0.019 0.000 0.321 264 G C -0.763 174.108 174.900 -0.048 0.000 1.200 264 G CA -0.616 44.458 45.100 -0.044 0.000 0.963 264 G HN 0.615 nan 8.290 nan 0.000 0.483 265 A N 0.318 123.108 122.820 -0.051 0.000 2.483 265 A HA 0.418 4.749 4.320 0.019 0.000 0.238 265 A C 0.630 178.181 177.584 -0.055 0.000 1.070 265 A CA -0.130 51.875 52.037 -0.053 0.000 0.770 265 A CB 0.203 19.168 19.000 -0.058 0.000 1.008 265 A HN 0.737 nan 8.150 nan 0.000 0.497 266 E N 1.000 121.168 120.200 -0.052 0.000 2.414 266 E HA 0.335 4.697 4.350 0.019 0.000 0.263 266 E C 0.417 176.982 176.600 -0.058 0.000 1.000 266 E CA 0.006 56.376 56.400 -0.051 0.000 0.914 266 E CB 0.472 30.146 29.700 -0.043 0.000 0.948 266 E HN 0.783 nan 8.360 nan 0.000 0.444 267 A N 3.664 126.449 122.820 -0.059 0.000 2.477 267 A HA 0.348 4.679 4.320 0.019 0.000 0.246 267 A C -0.096 177.446 177.584 -0.069 0.000 1.078 267 A CA -0.153 51.842 52.037 -0.070 0.000 0.770 267 A CB 0.233 19.194 19.000 -0.066 0.000 1.011 267 A HN 0.514 nan 8.150 nan 0.000 0.494 268 V N -0.423 119.437 119.914 -0.089 0.000 3.141 268 V HA 0.752 4.883 4.120 0.019 0.000 0.312 268 V C -2.970 173.058 176.094 -0.110 0.000 1.157 268 V CA -2.704 59.544 62.300 -0.085 0.000 1.041 268 V CB 1.154 32.928 31.823 -0.082 0.000 1.071 268 V HN 0.670 nan 8.190 nan 0.000 0.441 269 P HA 0.231 nan 4.420 nan 0.000 0.264 269 P C -0.297 176.910 177.300 -0.156 0.000 1.183 269 P CA 0.202 63.239 63.100 -0.105 0.000 0.763 269 P CB 0.166 31.827 31.700 -0.064 0.000 0.807 270 L N 1.800 122.911 121.223 -0.187 0.000 2.467 270 L HA 0.337 4.688 4.340 0.019 0.000 0.270 270 L C 0.899 177.560 176.870 -0.350 0.000 1.205 270 L CA 0.551 55.208 54.840 -0.305 0.000 0.828 270 L CB 0.381 42.304 42.059 -0.227 0.000 1.101 270 L HN 0.383 nan 8.230 nan 0.000 0.479 271 S N 1.028 116.344 115.700 -0.640 0.000 2.546 271 S HA 0.701 5.183 4.470 0.019 0.000 0.272 271 S C -1.279 172.805 174.600 -0.861 0.000 1.140 271 S CA -0.544 57.351 58.200 -0.509 0.000 0.920 271 S CB 0.763 63.804 63.200 -0.264 0.000 1.083 271 S HN 0.297 nan 8.310 nan 0.000 0.476 272 F N 2.282 122.130 119.950 -0.170 0.000 2.540 272 F HA 0.685 5.222 4.527 0.017 0.000 0.317 272 F C 0.624 176.344 175.800 -0.133 0.000 1.104 272 F CA -0.847 56.991 58.000 -0.269 0.000 0.913 272 F CB 1.689 40.305 39.000 -0.640 0.000 1.170 272 F HN 0.717 nan 8.300 nan 0.000 0.450 273 A N 1.628 124.477 122.820 0.050 0.000 2.546 273 A HA 0.156 4.488 4.320 0.019 0.000 0.243 273 A C 1.412 179.057 177.584 0.103 0.000 1.063 273 A CA 0.388 52.458 52.037 0.054 0.000 0.757 273 A CB 0.178 19.199 19.000 0.036 0.000 0.991 273 A HN 0.899 nan 8.150 nan 0.000 0.503 274 S N 1.037 116.788 115.700 0.086 0.000 2.419 274 S HA -0.157 4.324 4.470 0.019 0.000 0.235 274 S C 2.172 176.824 174.600 0.087 0.000 1.019 274 S CA 2.164 60.421 58.200 0.095 0.000 0.982 274 S CB -0.469 62.771 63.200 0.067 0.000 0.789 274 S HN 1.113 nan 8.310 nan 0.000 0.490 275 T N -1.021 113.574 114.554 0.068 0.000 2.951 275 T HA 0.112 4.473 4.350 0.019 0.000 0.268 275 T C 0.819 175.558 174.700 0.065 0.000 1.073 275 T CA 0.319 62.451 62.100 0.053 0.000 1.134 275 T CB -0.328 68.562 68.868 0.036 0.000 0.884 275 T HN 0.306 nan 8.240 nan 0.000 0.479 276 M N 3.118 122.781 119.600 0.105 0.000 2.227 276 M HA 0.161 4.653 4.480 0.019 0.000 0.349 276 M C -0.726 175.674 176.300 0.167 0.000 1.443 276 M CA 0.221 55.601 55.300 0.134 0.000 1.110 276 M CB 0.381 33.085 32.600 0.173 0.000 1.773 276 M HN 0.098 nan 8.290 nan 0.000 0.463 277 T N 7.589 122.165 114.554 0.036 0.000 2.794 277 T HA 0.363 4.724 4.350 0.019 0.000 0.296 277 T C -2.201 172.405 174.700 -0.156 0.000 0.949 277 T CA -0.896 61.166 62.100 -0.063 0.000 1.101 277 T CB 0.481 69.291 68.868 -0.097 0.000 0.905 277 T HN 0.511 nan 8.240 nan 0.000 0.516 278 P HA 0.191 nan 4.420 nan 0.000 0.271 278 P C -0.394 176.726 177.300 -0.299 0.000 1.218 278 P CA -0.438 62.360 63.100 -0.504 0.000 0.780 278 P CB 0.407 31.625 31.700 -0.804 0.000 0.901 279 F N 0.561 120.397 119.950 -0.191 0.000 2.506 279 F HA 0.075 4.613 4.527 0.018 0.000 0.351 279 F C 1.454 177.088 175.800 -0.276 0.000 1.136 279 F CA -0.102 57.771 58.000 -0.211 0.000 1.298 279 F CB -0.125 38.680 39.000 -0.324 0.000 1.145 279 F HN 0.093 nan 8.300 nan 0.000 0.593 280 L N 3.647 124.820 121.223 -0.084 0.000 2.490 280 L HA 0.013 4.364 4.340 0.019 0.000 0.274 280 L C -0.113 176.648 176.870 -0.182 0.000 1.201 280 L CA -0.038 54.717 54.840 -0.142 0.000 0.869 280 L CB 0.098 42.094 42.059 -0.106 0.000 1.123 280 L HN 0.414 nan 8.230 nan 0.000 0.484 281 L N 3.313 124.510 121.223 -0.044 0.000 2.371 281 L HA 0.338 4.690 4.340 0.019 0.000 0.272 281 L C 0.726 177.719 176.870 0.205 0.000 1.124 281 L CA -0.394 54.465 54.840 0.032 0.000 0.816 281 L CB 0.962 43.025 42.059 0.007 0.000 1.129 281 L HN 0.710 nan 8.230 nan 0.000 0.448 282 A N 1.448 124.445 122.820 0.295 0.000 2.540 282 A HA 0.224 4.555 4.320 0.019 0.000 0.239 282 A C 1.017 178.696 177.584 0.159 0.000 1.061 282 A CA 0.272 52.497 52.037 0.314 0.000 0.758 282 A CB -0.005 19.129 19.000 0.224 0.000 0.991 282 A HN 0.875 nan 8.150 nan 0.000 0.502 283 T N 0.305 114.931 114.554 0.119 0.000 3.105 283 T HA 0.098 4.460 4.350 0.019 0.000 0.253 283 T C 0.426 175.149 174.700 0.038 0.000 1.047 283 T CA -0.326 61.814 62.100 0.066 0.000 0.944 283 T CB -0.588 68.313 68.868 0.054 0.000 1.016 283 T HN 0.645 nan 8.240 nan 0.000 0.544 284 N N 2.336 121.057 118.700 0.036 0.000 2.407 284 N HA 0.301 5.052 4.740 0.019 0.000 0.250 284 N C 0.435 175.967 175.510 0.037 0.000 1.236 284 N CA 0.078 53.143 53.050 0.025 0.000 0.879 284 N CB 0.602 39.101 38.487 0.021 0.000 1.088 284 N HN 0.509 nan 8.380 nan 0.000 0.450 285 A N 3.183 126.026 122.820 0.038 0.000 2.507 285 A HA 0.140 4.471 4.320 0.019 0.000 0.235 285 A C -1.840 175.792 177.584 0.081 0.000 1.070 285 A CA -0.769 51.299 52.037 0.053 0.000 0.768 285 A CB -0.358 18.676 19.000 0.056 0.000 1.011 285 A HN 0.461 nan 8.150 nan 0.000 0.502 286 P HA 0.065 nan 4.420 nan 0.000 0.271 286 P C -0.690 176.725 177.300 0.192 0.000 1.216 286 P CA 0.218 63.395 63.100 0.127 0.000 0.776 286 P CB 0.232 31.989 31.700 0.095 0.000 0.881 287 Y N 4.963 125.304 120.300 0.069 0.000 2.511 287 Y HA 0.225 4.786 4.550 0.018 0.000 0.332 287 Y C -0.428 175.553 175.900 0.135 0.000 1.177 287 Y CA 0.176 58.303 58.100 0.045 0.000 1.422 287 Y CB 0.183 38.669 38.460 0.044 0.000 1.271 287 Y HN 0.439 nan 8.280 nan 0.000 0.550 288 Y N 2.962 122.786 120.300 -0.794 0.000 2.562 288 Y HA 0.818 5.379 4.550 0.019 0.000 0.345 288 Y C -0.941 174.367 175.900 -0.986 0.000 1.045 288 Y CA -1.798 55.830 58.100 -0.787 0.000 1.028 288 Y CB 0.464 38.760 38.460 -0.273 0.000 1.297 288 Y HN 0.838 nan 8.280 nan 0.000 0.463 289 A N 2.246 124.732 122.820 -0.557 0.000 2.488 289 A HA 0.315 4.646 4.320 0.019 0.000 0.249 289 A C 0.203 177.662 177.584 -0.207 0.000 1.083 289 A CA -0.204 51.611 52.037 -0.370 0.000 0.768 289 A CB 0.243 19.115 19.000 -0.213 0.000 1.017 289 A HN 0.955 nan 8.150 nan 0.000 0.496 290 Q N 0.063 119.744 119.800 -0.198 0.000 2.157 290 Q HA 0.086 4.437 4.340 0.019 0.000 0.235 290 Q C -0.776 175.190 176.000 -0.056 0.000 0.803 290 Q CA 0.075 55.807 55.803 -0.118 0.000 0.967 290 Q CB 0.854 29.476 28.738 -0.192 0.000 1.150 290 Q HN 0.821 nan 8.270 nan 0.000 0.482 291 D N 2.009 122.380 120.400 -0.049 0.000 2.613 291 D HA 0.174 4.825 4.640 0.019 0.000 0.312 291 D C -2.165 174.117 176.300 -0.029 0.000 1.202 291 D CA -1.355 52.630 54.000 -0.024 0.000 0.825 291 D CB 0.848 41.645 40.800 -0.004 0.000 1.113 291 D HN 0.055 nan 8.370 nan 0.000 0.502 292 P HA 0.341 nan 4.420 nan 0.000 0.280 292 P C -0.049 177.223 177.300 -0.046 0.000 1.272 292 P CA -0.469 62.611 63.100 -0.032 0.000 0.819 292 P CB 0.839 32.524 31.700 -0.024 0.000 1.122 293 T N -1.160 113.387 114.554 -0.012 0.000 2.898 293 T HA 0.364 4.725 4.350 0.019 0.000 0.301 293 T C 0.478 175.161 174.700 -0.029 0.000 1.049 293 T CA -0.661 61.449 62.100 0.016 0.000 1.095 293 T CB 0.087 68.999 68.868 0.074 0.000 0.976 293 T HN 0.255 nan 8.240 nan 0.000 0.539 294 L N 1.917 123.099 121.223 -0.068 0.000 2.343 294 L HA 0.619 4.970 4.340 0.019 0.000 0.275 294 L C 1.233 178.094 176.870 -0.015 0.000 1.056 294 L CA -1.176 53.556 54.840 -0.179 0.000 0.804 294 L CB 1.048 42.692 42.059 -0.692 0.000 1.203 294 L HN 0.975 nan 8.230 nan 0.000 0.440 295 G N 1.076 109.887 108.800 0.018 0.000 2.547 295 G HA2 0.349 4.321 3.960 0.019 0.000 0.291 295 G HA3 0.349 4.321 3.960 0.019 0.000 0.291 295 G C -1.677 173.317 174.900 0.156 0.000 1.211 295 G CA -0.991 44.164 45.100 0.092 0.000 0.950 295 G HN 0.480 nan 8.290 nan 0.000 0.504 296 P HA -0.121 nan 4.420 nan 0.000 0.219 296 P C 0.791 178.211 177.300 0.200 0.000 1.146 296 P CA 1.215 64.412 63.100 0.162 0.000 0.808 296 P CB 0.158 31.915 31.700 0.096 0.000 0.779 297 N N -0.991 117.830 118.700 0.200 0.000 2.270 297 N HA 0.028 4.780 4.740 0.019 0.000 0.198 297 N C 0.122 175.806 175.510 0.289 0.000 1.117 297 N CA -0.244 52.954 53.050 0.246 0.000 0.845 297 N CB 0.109 38.739 38.487 0.239 0.000 0.980 297 N HN 0.143 nan 8.380 nan 0.000 0.486 298 D N 0.000 120.546 120.400 0.243 0.000 6.856 298 D HA 0.000 4.651 4.640 0.019 0.000 0.175 298 D CA 0.000 54.128 54.000 0.213 0.000 0.868 298 D CB 0.000 40.881 40.800 0.135 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683