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 2j5m_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 0.000 176.645 176.600 0.075 0.000 1.382 1 E CA 0.000 56.454 56.400 0.090 0.000 0.976 1 E CB 0.000 29.740 29.700 0.067 0.000 0.812 2 P HA -0.184 nan 4.420 nan 0.000 0.217 2 P C 1.168 178.489 177.300 0.036 0.000 1.151 2 P CA 1.769 64.908 63.100 0.066 0.000 0.849 2 P CB 0.181 31.919 31.700 0.064 0.000 0.787 3 G N -0.037 108.777 108.800 0.024 0.000 2.650 3 G HA2 -0.152 3.819 3.960 0.017 0.000 0.214 3 G HA3 -0.152 3.819 3.960 0.017 0.000 0.214 3 G C 1.696 176.593 174.900 -0.005 0.000 1.136 3 G CA 0.860 45.961 45.100 0.002 0.000 0.789 3 G HN 0.444 nan 8.290 nan 0.000 0.536 4 S N -0.030 115.677 115.700 0.012 0.000 2.419 4 S HA 0.184 4.664 4.470 0.017 0.000 0.233 4 S C 2.182 176.777 174.600 -0.008 0.000 1.016 4 S CA 1.274 59.482 58.200 0.013 0.000 0.974 4 S CB -0.519 62.705 63.200 0.039 0.000 0.786 4 S HN 1.486 nan 8.310 nan 0.000 0.492 5 G N 1.194 109.982 108.800 -0.020 0.000 2.175 5 G HA2 -0.293 3.677 3.960 0.017 0.000 0.265 5 G HA3 -0.293 3.677 3.960 0.017 0.000 0.265 5 G C 0.619 175.519 174.900 0.000 0.000 0.979 5 G CA 0.528 45.612 45.100 -0.027 0.000 0.663 5 G HN 0.595 nan 8.290 nan 0.000 0.533 6 I N 0.633 121.170 120.570 -0.054 0.000 2.264 6 I HA -0.100 4.080 4.170 0.017 0.000 0.248 6 I C 2.808 178.728 176.117 -0.330 0.000 1.111 6 I CA 1.758 62.972 61.300 -0.144 0.000 1.382 6 I CB -0.285 37.611 38.000 -0.172 0.000 1.060 6 I HN 0.300 nan 8.210 nan 0.000 0.418 7 G N -0.789 107.803 108.800 -0.346 0.000 2.712 7 G HA2 -0.182 3.788 3.960 0.017 0.000 0.212 7 G HA3 -0.182 3.788 3.960 0.017 0.000 0.212 7 G C 0.535 175.472 174.900 0.061 0.000 1.142 7 G CA -0.221 44.742 45.100 -0.228 0.000 0.789 7 G HN 0.281 nan 8.290 nan 0.000 0.535 8 Y N 2.344 122.602 120.300 -0.070 0.000 2.497 8 Y HA 0.298 4.858 4.550 0.017 0.000 0.334 8 Y C -1.287 174.532 175.900 -0.136 0.000 1.199 8 Y CA -1.723 56.319 58.100 -0.096 0.000 1.425 8 Y CB 1.497 39.905 38.460 -0.087 0.000 1.291 8 Y HN -0.026 nan 8.280 nan 0.000 0.562 9 P HA 0.083 nan 4.420 nan 0.000 0.259 9 P C -0.254 176.569 177.300 -0.795 0.000 1.530 9 P CA 0.507 62.877 63.100 -1.218 0.000 1.022 9 P CB -0.029 30.820 31.700 -1.418 0.000 1.514 10 Y N -0.114 119.963 120.300 -0.371 0.000 2.347 10 Y HA 0.155 4.714 4.550 0.015 0.000 0.294 10 Y C 0.978 176.734 175.900 -0.240 0.000 1.117 10 Y CA 0.621 58.520 58.100 -0.334 0.000 1.184 10 Y CB 0.130 38.354 38.460 -0.394 0.000 1.047 10 Y HN -0.031 nan 8.280 nan 0.000 0.546 11 D N -0.640 119.752 120.400 -0.013 0.000 2.473 11 D HA 0.178 4.829 4.640 0.017 0.000 0.253 11 D C -0.557 175.747 176.300 0.006 0.000 1.233 11 D CA -0.220 53.763 54.000 -0.028 0.000 0.908 11 D CB 0.397 41.221 40.800 0.040 0.000 1.170 11 D HN -0.042 nan 8.370 nan 0.000 0.558 12 N N 2.675 121.369 118.700 -0.010 0.000 2.322 12 N HA 0.023 4.773 4.740 0.017 0.000 0.194 12 N C -0.178 175.373 175.510 0.069 0.000 1.126 12 N CA 0.057 53.140 53.050 0.056 0.000 0.845 12 N CB 0.088 38.599 38.487 0.039 0.000 0.976 12 N HN 0.301 nan 8.380 nan 0.000 0.475 13 N N 0.331 119.084 118.700 0.087 0.000 2.687 13 N HA 0.018 4.768 4.740 0.017 0.000 0.275 13 N C -1.040 174.618 175.510 0.247 0.000 1.789 13 N CA -0.204 52.931 53.050 0.142 0.000 0.806 13 N CB 0.303 38.864 38.487 0.124 0.000 1.256 13 N HN -0.024 nan 8.380 nan 0.000 0.500 14 T N -1.122 113.556 114.554 0.206 0.000 2.882 14 T HA 0.601 4.962 4.350 0.017 0.000 0.287 14 T C 0.229 175.091 174.700 0.271 0.000 1.014 14 T CA -0.477 61.790 62.100 0.279 0.000 1.049 14 T CB 1.145 70.126 68.868 0.189 0.000 1.001 14 T HN 0.127 nan 8.240 nan 0.000 0.525 15 L N 2.122 123.533 121.223 0.313 0.000 2.370 15 L HA 0.551 4.902 4.340 0.017 0.000 0.266 15 L C -2.244 174.751 176.870 0.208 0.000 1.002 15 L CA -2.862 52.070 54.840 0.154 0.000 0.818 15 L CB 2.732 44.794 42.059 0.005 0.000 1.325 15 L HN 0.538 nan 8.230 nan 0.000 0.418 16 P HA -0.018 nan 4.420 nan 0.000 0.274 16 P C -1.200 176.064 177.300 -0.060 0.000 1.237 16 P CA -0.206 62.970 63.100 0.126 0.000 0.793 16 P CB 0.496 32.237 31.700 0.068 0.000 0.977 17 Y N 2.058 122.177 120.300 -0.301 0.000 2.526 17 Y HA 0.279 4.840 4.550 0.017 0.000 0.330 17 Y C -0.731 175.011 175.900 -0.265 0.000 1.156 17 Y CA 0.289 58.054 58.100 -0.558 0.000 1.419 17 Y CB 0.316 38.553 38.460 -0.373 0.000 1.250 17 Y HN 0.053 nan 8.280 nan 0.000 0.540 18 V N 6.770 126.167 119.914 -0.860 0.000 2.483 18 V HA 0.594 4.725 4.120 0.017 0.000 0.297 18 V C -0.017 175.487 176.094 -0.985 0.000 1.027 18 V CA -0.972 60.913 62.300 -0.693 0.000 0.855 18 V CB 1.032 32.583 31.823 -0.454 0.000 0.995 18 V HN 1.065 nan 8.190 nan 0.000 0.424 19 A N 7.637 129.975 122.820 -0.804 0.000 2.498 19 A HA 0.530 4.861 4.320 0.017 0.000 0.239 19 A C -2.054 175.248 177.584 -0.470 0.000 1.068 19 A CA -0.707 50.971 52.037 -0.600 0.000 0.766 19 A CB -0.211 18.506 19.000 -0.472 0.000 1.003 19 A HN 0.635 nan 8.150 nan 0.000 0.497 20 P HA 0.238 nan 4.420 nan 0.000 0.276 20 P C 0.342 177.493 177.300 -0.249 0.000 1.230 20 P CA 0.293 63.263 63.100 -0.217 0.000 0.776 20 P CB 0.887 32.534 31.700 -0.088 0.000 0.888 21 G N 3.063 111.752 108.800 -0.184 0.000 2.528 21 G HA2 0.322 4.293 3.960 0.017 0.000 0.289 21 G HA3 0.322 4.293 3.960 0.017 0.000 0.289 21 G C -1.712 173.150 174.900 -0.063 0.000 1.192 21 G CA -1.492 43.519 45.100 -0.148 0.000 0.921 21 G HN 0.243 nan 8.290 nan 0.000 0.512 22 P HA -0.097 nan 4.420 nan 0.000 0.219 22 P C 1.902 179.201 177.300 -0.002 0.000 1.146 22 P CA 2.069 65.171 63.100 0.004 0.000 0.808 22 P CB 0.155 31.857 31.700 0.003 0.000 0.779 23 T N -5.969 108.574 114.554 -0.018 0.000 3.060 23 T HA 0.077 4.438 4.350 0.017 0.000 0.249 23 T C 0.542 175.233 174.700 -0.015 0.000 1.079 23 T CA -0.220 61.871 62.100 -0.014 0.000 1.013 23 T CB -0.515 68.342 68.868 -0.019 0.000 0.975 23 T HN -0.105 nan 8.240 nan 0.000 0.518 24 D N 2.596 122.983 120.400 -0.022 0.000 2.382 24 D HA 0.262 4.912 4.640 0.017 0.000 0.245 24 D C -0.270 176.026 176.300 -0.006 0.000 1.120 24 D CA 0.208 54.196 54.000 -0.020 0.000 0.890 24 D CB 1.549 42.327 40.800 -0.037 0.000 1.201 24 D HN 0.262 nan 8.370 nan 0.000 0.433 25 S N 2.074 117.771 115.700 -0.005 0.000 2.475 25 S HA 0.382 4.862 4.470 0.017 0.000 0.281 25 S C -0.258 174.341 174.600 -0.002 0.000 1.198 25 S CA -0.719 57.480 58.200 -0.002 0.000 1.063 25 S CB 0.408 63.604 63.200 -0.007 0.000 0.972 25 S HN 0.216 nan 8.310 nan 0.000 0.486 26 R N 1.829 122.333 120.500 0.007 0.000 2.919 26 R HA 0.772 5.122 4.340 0.017 0.000 0.260 26 R C -0.291 176.009 176.300 -0.000 0.000 1.067 26 R CA -0.746 55.359 56.100 0.009 0.000 1.003 26 R CB 1.477 31.796 30.300 0.032 0.000 1.192 26 R HN 0.688 nan 8.270 nan 0.000 0.488 27 A N 1.468 124.283 122.820 -0.008 0.000 2.282 27 A HA 0.606 4.936 4.320 0.017 0.000 0.324 27 A C -1.929 175.630 177.584 -0.042 0.000 1.119 27 A CA -1.337 50.681 52.037 -0.031 0.000 0.880 27 A CB 0.714 19.692 19.000 -0.035 0.000 1.294 27 A HN 0.473 nan 8.150 nan 0.000 0.493 28 P HA 0.082 nan 4.420 nan 0.000 0.249 28 P C 0.099 177.333 177.300 -0.110 0.000 1.241 28 P CA 0.314 63.361 63.100 -0.088 0.000 0.781 28 P CB -0.366 31.276 31.700 -0.096 0.000 1.088 29 C N 2.936 122.183 119.300 -0.088 0.000 2.273 29 C HA 0.457 4.928 4.460 0.017 0.000 0.328 29 C C -0.995 173.951 174.990 -0.073 0.000 1.275 29 C CA -2.535 56.450 59.018 -0.054 0.000 1.704 29 C CB 1.033 28.784 27.740 0.018 0.000 2.326 29 C HN 0.116 nan 8.230 nan 0.000 0.517 30 P HA -0.048 nan 4.420 nan 0.000 0.221 30 P C 1.257 178.690 177.300 0.221 0.000 1.150 30 P CA 1.914 64.818 63.100 -0.326 0.000 0.800 30 P CB 0.110 31.060 31.700 -1.250 0.000 0.787 31 A N 0.521 123.624 122.820 0.472 0.000 1.854 31 A HA -0.094 4.237 4.320 0.017 0.000 0.214 31 A C 2.413 180.180 177.584 0.305 0.000 1.192 31 A CA 1.248 53.645 52.037 0.599 0.000 0.611 31 A CB -1.572 17.865 19.000 0.728 0.000 0.832 31 A HN 0.097 nan 8.150 nan 0.000 0.442 32 L N -0.098 121.275 121.223 0.250 0.000 2.083 32 L HA -0.216 4.135 4.340 0.017 0.000 0.209 32 L C 2.265 179.170 176.870 0.057 0.000 1.083 32 L CA 1.247 56.161 54.840 0.123 0.000 0.752 32 L CB -0.723 41.408 42.059 0.120 0.000 0.899 32 L HN 0.352 nan 8.230 nan 0.000 0.433 33 N N 0.372 119.105 118.700 0.056 0.000 2.142 33 N HA -0.134 4.616 4.740 0.017 0.000 0.186 33 N C 1.916 177.437 175.510 0.018 0.000 1.023 33 N CA 1.524 54.587 53.050 0.022 0.000 0.852 33 N CB -0.359 38.135 38.487 0.012 0.000 0.998 33 N HN 0.312 nan 8.380 nan 0.000 0.424 34 A N 1.204 124.049 122.820 0.042 0.000 1.902 34 A HA -0.066 4.264 4.320 0.017 0.000 0.217 34 A C 2.358 179.990 177.584 0.079 0.000 1.181 34 A CA 0.980 52.992 52.037 -0.041 0.000 0.623 34 A CB -0.787 18.037 19.000 -0.293 0.000 0.818 34 A HN 0.218 nan 8.150 nan 0.000 0.443 35 L N -0.851 120.448 121.223 0.127 0.000 2.017 35 L HA -0.206 4.144 4.340 0.017 0.000 0.208 35 L C 3.106 179.960 176.870 -0.026 0.000 1.073 35 L CA 1.176 56.105 54.840 0.149 0.000 0.745 35 L CB -0.584 41.471 42.059 -0.007 0.000 0.894 35 L HN 0.442 nan 8.230 nan 0.000 0.432 36 A N 0.066 122.844 122.820 -0.069 0.000 1.930 36 A HA -0.187 4.143 4.320 0.017 0.000 0.217 36 A C 2.001 179.431 177.584 -0.257 0.000 1.175 36 A CA 1.691 53.634 52.037 -0.157 0.000 0.627 36 A CB -0.538 18.412 19.000 -0.084 0.000 0.815 36 A HN 0.423 nan 8.150 nan 0.000 0.443 37 N N -0.219 118.365 118.700 -0.193 0.000 2.289 37 N HA -0.118 4.632 4.740 0.017 0.000 0.184 37 N C 1.184 176.424 175.510 -0.451 0.000 1.016 37 N CA 1.172 54.030 53.050 -0.321 0.000 0.872 37 N CB -0.449 37.842 38.487 -0.328 0.000 0.973 37 N HN 0.646 nan 8.380 nan 0.000 0.433 38 H N -1.061 117.762 119.070 -0.412 0.000 2.551 38 H HA 0.191 4.757 4.556 0.017 0.000 0.271 38 H C 1.002 175.800 175.328 -0.883 0.000 0.984 38 H CA 0.642 56.324 56.048 -0.611 0.000 1.164 38 H CB 0.497 29.730 29.762 -0.881 0.000 1.437 38 H HN 0.248 nan 8.280 nan 0.000 0.550 39 G N 1.123 109.354 108.800 -0.947 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 0.472 175.139 174.900 -0.389 0.000 0.983 39 G CA 0.572 45.071 45.100 -1.002 0.000 0.676 39 G HN 0.387 nan 8.290 nan 0.000 0.528 40 Y N 0.057 120.232 120.300 -0.210 0.000 2.314 40 Y HA 0.248 4.809 4.550 0.019 0.000 0.293 40 Y C 2.130 177.979 175.900 -0.085 0.000 1.129 40 Y CA 0.648 58.659 58.100 -0.150 0.000 1.201 40 Y CB -0.205 38.147 38.460 -0.181 0.000 0.999 40 Y HN 0.698 nan 8.280 nan 0.000 0.541 41 I N -3.150 117.431 120.570 0.017 0.000 2.910 41 I HA 0.529 4.709 4.170 0.017 0.000 0.310 41 I C -2.768 173.295 176.117 -0.090 0.000 1.043 41 I CA -2.921 58.375 61.300 -0.008 0.000 1.053 41 I CB 1.889 39.894 38.000 0.008 0.000 1.242 41 I HN -0.370 nan 8.210 nan 0.000 0.452 42 P HA -0.016 nan 4.420 nan 0.000 0.261 42 P C -0.203 177.050 177.300 -0.079 0.000 1.173 42 P CA 0.675 63.749 63.100 -0.044 0.000 0.760 42 P CB 0.176 31.879 31.700 0.006 0.000 0.783 43 H N 2.002 121.033 119.070 -0.066 0.000 2.390 43 H HA -0.200 4.368 4.556 0.020 0.000 0.298 43 H C 1.537 176.811 175.328 -0.089 0.000 1.106 43 H CA 2.179 58.164 56.048 -0.105 0.000 1.297 43 H CB -0.020 29.666 29.762 -0.127 0.000 1.375 43 H HN 0.551 nan 8.280 nan 0.000 0.509 44 D N -0.704 119.731 120.400 0.059 0.000 2.363 44 D HA 0.013 4.663 4.640 0.017 0.000 0.226 44 D C 1.517 177.818 176.300 0.001 0.000 1.020 44 D CA 0.766 54.775 54.000 0.015 0.000 0.892 44 D CB -0.489 40.316 40.800 0.009 0.000 0.900 44 D HN 0.423 nan 8.370 nan 0.000 0.531 45 G N 0.373 109.171 108.800 -0.004 0.000 2.198 45 G HA2 -0.328 3.642 3.960 0.017 0.000 0.260 45 G HA3 -0.328 3.642 3.960 0.017 0.000 0.260 45 G C 0.020 174.917 174.900 -0.005 0.000 1.025 45 G CA 0.179 45.273 45.100 -0.009 0.000 0.769 45 G HN 0.504 nan 8.290 nan 0.000 0.507 46 R N -0.873 119.629 120.500 0.003 0.000 2.750 46 R HA 0.690 5.040 4.340 0.017 0.000 0.281 46 R C 0.655 176.968 176.300 0.021 0.000 0.972 46 R CA -0.458 55.647 56.100 0.007 0.000 0.912 46 R CB 1.736 32.040 30.300 0.007 0.000 1.187 46 R HN 1.542 nan 8.270 nan 0.000 0.464 47 A N 2.180 125.017 122.820 0.028 0.000 2.475 47 A HA -0.167 4.163 4.320 0.017 0.000 0.295 47 A C -0.282 177.346 177.584 0.074 0.000 1.457 47 A CA 0.481 52.550 52.037 0.053 0.000 0.734 47 A CB -1.853 17.176 19.000 0.048 0.000 1.118 47 A HN 0.598 nan 8.150 nan 0.000 0.400 48 I N 1.672 122.294 120.570 0.087 0.000 2.362 48 I HA 0.449 4.629 4.170 0.017 0.000 0.289 48 I C 0.926 177.171 176.117 0.215 0.000 0.994 48 I CA 0.011 61.381 61.300 0.115 0.000 1.158 48 I CB 1.955 40.005 38.000 0.083 0.000 1.315 48 I HN 0.661 nan 8.210 nan 0.000 0.451 49 S N 5.405 121.226 115.700 0.200 0.000 2.632 49 S HA 0.398 4.878 4.470 0.017 0.000 0.271 49 S C 1.060 175.811 174.600 0.251 0.000 1.260 49 S CA -0.632 57.707 58.200 0.232 0.000 1.010 49 S CB 1.635 64.916 63.200 0.136 0.000 0.965 49 S HN 0.650 nan 8.310 nan 0.000 0.534 50 R N 0.716 121.348 120.500 0.221 0.000 2.083 50 R HA -0.131 4.219 4.340 0.017 0.000 0.237 50 R C 2.373 178.767 176.300 0.157 0.000 1.137 50 R CA 1.966 58.185 56.100 0.198 0.000 0.951 50 R CB -0.449 29.894 30.300 0.072 0.000 0.851 50 R HN 0.904 nan 8.270 nan 0.000 0.434 51 E N -0.153 120.112 120.200 0.110 0.000 2.110 51 E HA -0.158 4.202 4.350 0.017 0.000 0.193 51 E C 1.494 178.159 176.600 0.109 0.000 0.988 51 E CA 1.554 58.010 56.400 0.093 0.000 0.804 51 E CB 0.148 29.886 29.700 0.064 0.000 0.745 51 E HN 0.267 nan 8.360 nan 0.000 0.458 52 T N 1.433 116.058 114.554 0.119 0.000 2.665 52 T HA -0.190 4.171 4.350 0.017 0.000 0.268 52 T C 1.886 176.670 174.700 0.140 0.000 1.035 52 T CA 1.371 63.542 62.100 0.118 0.000 1.151 52 T CB -0.244 68.692 68.868 0.114 0.000 0.862 52 T HN 0.144 nan 8.240 nan 0.000 0.438 53 L N 0.550 121.884 121.223 0.186 0.000 2.017 53 L HA -0.151 4.199 4.340 0.017 0.000 0.208 53 L C 2.962 180.027 176.870 0.326 0.000 1.073 53 L CA 1.459 56.457 54.840 0.263 0.000 0.745 53 L CB -0.573 41.690 42.059 0.339 0.000 0.894 53 L HN 0.297 nan 8.230 nan 0.000 0.432 54 Q N -0.070 119.877 119.800 0.244 0.000 2.061 54 Q HA -0.237 4.114 4.340 0.017 0.000 0.204 54 Q C 2.000 178.093 176.000 0.154 0.000 0.984 54 Q CA 2.131 58.054 55.803 0.200 0.000 0.846 54 Q CB -0.309 28.504 28.738 0.125 0.000 0.902 54 Q HN 0.602 nan 8.270 nan 0.000 0.421 55 N N 0.115 118.877 118.700 0.104 0.000 2.120 55 N HA -0.139 4.611 4.740 0.017 0.000 0.188 55 N C 1.787 177.309 175.510 0.020 0.000 1.024 55 N CA 0.700 53.775 53.050 0.042 0.000 0.852 55 N CB -0.124 38.387 38.487 0.040 0.000 1.003 55 N HN 0.201 nan 8.380 nan 0.000 0.424 56 A N 0.933 123.798 122.820 0.075 0.000 1.877 56 A HA -0.125 4.205 4.320 0.017 0.000 0.216 56 A C 1.807 179.357 177.584 -0.057 0.000 1.186 56 A CA 1.209 53.278 52.037 0.054 0.000 0.620 56 A CB -0.847 18.159 19.000 0.011 0.000 0.822 56 A HN 0.185 nan 8.150 nan 0.000 0.443 57 F N -0.750 119.223 119.950 0.038 0.000 2.134 57 F HA -0.106 4.425 4.527 0.006 0.000 0.299 57 F C 2.090 177.844 175.800 -0.075 0.000 1.097 57 F CA 1.514 59.511 58.000 -0.005 0.000 1.264 57 F CB -0.528 38.474 39.000 0.003 0.000 1.001 57 F HN 0.267 nan 8.300 nan 0.000 0.479 58 L N 0.387 121.668 121.223 0.097 0.000 2.005 58 L HA -0.177 4.174 4.340 0.017 0.000 0.207 58 L C 1.665 178.445 176.870 -0.150 0.000 1.072 58 L CA 2.104 56.931 54.840 -0.021 0.000 0.744 58 L CB -0.997 41.050 42.059 -0.020 0.000 0.895 58 L HN 0.079 nan 8.230 nan 0.000 0.433 59 N N -2.206 116.326 118.700 -0.279 0.000 2.376 59 N HA -0.063 4.687 4.740 0.017 0.000 0.177 59 N C 0.943 176.017 175.510 -0.726 0.000 1.024 59 N CA 0.796 53.533 53.050 -0.522 0.000 0.893 59 N CB 0.050 38.134 38.487 -0.671 0.000 0.980 59 N HN 0.450 nan 8.380 nan 0.000 0.439 60 H N -1.241 117.622 119.070 -0.345 0.000 2.986 60 H HA 0.307 4.873 4.556 0.017 0.000 0.267 60 H C 0.816 175.883 175.328 -0.435 0.000 1.072 60 H CA 0.320 56.071 56.048 -0.495 0.000 1.202 60 H CB 0.774 29.951 29.762 -0.974 0.000 1.535 60 H HN 0.189 nan 8.280 nan 0.000 0.522 61 M N -0.830 118.652 119.600 -0.197 0.000 2.268 61 M HA 0.236 4.727 4.480 0.017 0.000 0.355 61 M C 0.791 177.044 176.300 -0.079 0.000 0.938 61 M CA 0.257 55.481 55.300 -0.127 0.000 1.025 61 M CB 1.965 34.566 32.600 0.001 0.000 1.773 61 M HN 0.236 nan 8.290 nan 0.000 0.613 62 G N 2.460 111.186 108.800 -0.123 0.000 2.273 62 G HA2 -0.209 3.761 3.960 0.017 0.000 0.280 62 G HA3 -0.209 3.761 3.960 0.017 0.000 0.280 62 G C -0.325 174.535 174.900 -0.067 0.000 1.047 62 G CA -0.033 44.990 45.100 -0.128 0.000 0.869 62 G HN 0.397 nan 8.290 nan 0.000 0.502 63 I N 0.664 121.234 120.570 -0.001 0.000 2.382 63 I HA 0.607 4.788 4.170 0.017 0.000 0.285 63 I C 0.838 176.963 176.117 0.014 0.000 1.007 63 I CA -1.008 60.298 61.300 0.010 0.000 1.142 63 I CB 0.907 38.932 38.000 0.042 0.000 1.289 63 I HN 0.338 nan 8.210 nan 0.000 0.453 64 A N 5.510 128.328 122.820 -0.004 0.000 2.346 64 A HA 0.274 4.604 4.320 0.017 0.000 0.252 64 A C 1.195 178.788 177.584 0.014 0.000 1.089 64 A CA -0.195 51.846 52.037 0.007 0.000 0.797 64 A CB 0.213 19.218 19.000 0.008 0.000 1.047 64 A HN 0.726 nan 8.150 nan 0.000 0.494 65 N N 0.866 119.582 118.700 0.026 0.000 2.137 65 N HA -0.203 4.548 4.740 0.017 0.000 0.190 65 N C 2.085 177.617 175.510 0.037 0.000 1.017 65 N CA 2.004 55.076 53.050 0.036 0.000 0.859 65 N CB -0.603 37.907 38.487 0.040 0.000 1.002 65 N HN 0.800 nan 8.380 nan 0.000 0.428 66 S N 0.036 115.761 115.700 0.042 0.000 2.383 66 S HA -0.110 4.371 4.470 0.017 0.000 0.229 66 S C 2.087 176.736 174.600 0.081 0.000 1.030 66 S CA 1.247 59.482 58.200 0.058 0.000 1.002 66 S CB -0.815 62.421 63.200 0.060 0.000 0.829 66 S HN 0.090 nan 8.310 nan 0.000 0.467 67 V N 2.784 122.742 119.914 0.073 0.000 2.407 67 V HA -0.063 4.068 4.120 0.017 0.000 0.248 67 V C 2.244 178.406 176.094 0.114 0.000 1.055 67 V CA 1.855 64.227 62.300 0.120 0.000 1.049 67 V CB -0.930 30.922 31.823 0.047 0.000 0.662 67 V HN 0.838 nan 8.190 nan 0.000 0.455 68 I N -2.602 117.969 120.570 0.001 0.000 3.928 68 I HA 0.244 4.424 4.170 0.017 0.000 0.335 68 I C 1.873 178.050 176.117 0.100 0.000 1.325 68 I CA 0.443 61.743 61.300 -0.001 0.000 1.107 68 I CB -0.215 37.663 38.000 -0.204 0.000 1.014 68 I HN 0.207 nan 8.210 nan 0.000 0.400 69 E N 1.615 121.875 120.200 0.100 0.000 2.038 69 E HA -0.263 4.098 4.350 0.017 0.000 0.195 69 E C 2.072 178.741 176.600 0.115 0.000 1.000 69 E CA 1.828 58.287 56.400 0.097 0.000 0.803 69 E CB 0.001 29.746 29.700 0.074 0.000 0.750 69 E HN 0.557 nan 8.360 nan 0.000 0.448 70 L N 0.613 121.906 121.223 0.115 0.000 2.093 70 L HA -0.008 4.343 4.340 0.017 0.000 0.208 70 L C 2.234 179.183 176.870 0.131 0.000 1.085 70 L CA 2.000 56.895 54.840 0.092 0.000 0.755 70 L CB -0.690 41.401 42.059 0.052 0.000 0.904 70 L HN 0.197 nan 8.230 nan 0.000 0.435 71 A N -0.463 122.497 122.820 0.235 0.000 1.908 71 A HA -0.205 4.126 4.320 0.017 0.000 0.218 71 A C 2.270 180.111 177.584 0.428 0.000 1.181 71 A CA 2.113 54.403 52.037 0.423 0.000 0.627 71 A CB -0.891 18.406 19.000 0.494 0.000 0.818 71 A HN 0.496 nan 8.150 nan 0.000 0.445 72 L N -0.978 120.434 121.223 0.316 0.000 2.017 72 L HA -0.171 4.180 4.340 0.017 0.000 0.208 72 L C 2.862 179.976 176.870 0.406 0.000 1.073 72 L CA 1.826 56.888 54.840 0.369 0.000 0.745 72 L CB -1.026 41.205 42.059 0.287 0.000 0.894 72 L HN 0.358 nan 8.230 nan 0.000 0.432 73 T N -0.285 114.424 114.554 0.258 0.000 2.635 73 T HA -0.193 4.168 4.350 0.017 0.000 0.267 73 T C 1.713 176.556 174.700 0.240 0.000 1.040 73 T CA 1.752 63.977 62.100 0.208 0.000 1.156 73 T CB -0.305 68.627 68.868 0.107 0.000 0.863 73 T HN 0.282 nan 8.240 nan 0.000 0.430 74 N N 1.170 119.977 118.700 0.177 0.000 2.188 74 N HA 0.039 4.789 4.740 0.017 0.000 0.184 74 N C 2.103 177.828 175.510 0.359 0.000 1.018 74 N CA 1.170 54.300 53.050 0.132 0.000 0.858 74 N CB -0.619 37.690 38.487 -0.298 0.000 0.989 74 N HN 0.436 nan 8.380 nan 0.000 0.426 75 A N 0.297 123.398 122.820 0.468 0.000 1.883 75 A HA -0.109 4.221 4.320 0.017 0.000 0.217 75 A C 1.961 179.608 177.584 0.105 0.000 1.186 75 A CA 1.154 53.380 52.037 0.314 0.000 0.624 75 A CB -0.907 18.202 19.000 0.182 0.000 0.822 75 A HN 0.228 nan 8.150 nan 0.000 0.444 76 F N -0.671 119.401 119.950 0.204 0.000 2.367 76 F HA -0.050 4.492 4.527 0.026 0.000 0.298 76 F C 2.338 178.238 175.800 0.167 0.000 1.094 76 F CA 1.007 59.102 58.000 0.158 0.000 1.409 76 F CB -0.205 38.870 39.000 0.126 0.000 1.064 76 F HN 0.016 nan 8.300 nan 0.000 0.528 77 V N -0.726 119.391 119.914 0.338 0.000 2.295 77 V HA -0.258 3.872 4.120 0.017 0.000 0.246 77 V C 2.251 178.552 176.094 0.344 0.000 1.049 77 V CA 1.570 64.058 62.300 0.314 0.000 1.024 77 V CB -0.644 31.347 31.823 0.281 0.000 0.648 77 V HN 0.138 nan 8.190 nan 0.000 0.447 78 V N -1.112 118.999 119.914 0.329 0.000 2.427 78 V HA -0.295 3.836 4.120 0.017 0.000 0.248 78 V C 2.538 178.707 176.094 0.124 0.000 1.051 78 V CA 2.064 64.516 62.300 0.254 0.000 1.048 78 V CB -0.679 31.309 31.823 0.274 0.000 0.666 78 V HN 0.765 nan 8.190 nan 0.000 0.456 79 c N 0.187 118.837 118.600 0.082 0.000 2.413 79 c HA -0.217 4.363 4.570 0.017 0.000 0.276 79 c C 2.843 176.968 174.090 0.059 0.000 1.236 79 c CA 1.964 58.302 56.329 0.015 0.000 1.735 79 c CB -0.761 41.712 42.510 -0.062 0.000 2.031 79 c HN 0.738 nan 8.230 nan 0.000 0.474 80 E N -1.443 118.839 120.200 0.136 0.000 2.077 80 E HA -0.261 4.099 4.350 0.017 0.000 0.193 80 E C 2.052 178.730 176.600 0.130 0.000 0.989 80 E CA 1.632 58.116 56.400 0.139 0.000 0.800 80 E CB -0.525 29.281 29.700 0.178 0.000 0.746 80 E HN 0.802 nan 8.360 nan 0.000 0.452 81 Y N 0.805 121.103 120.300 -0.003 0.000 2.145 81 Y HA -0.212 4.348 4.550 0.016 0.000 0.286 81 Y C 1.970 177.792 175.900 -0.129 0.000 1.145 81 Y CA 1.573 59.611 58.100 -0.103 0.000 1.148 81 Y CB -0.631 37.626 38.460 -0.339 0.000 0.981 81 Y HN -0.069 nan 8.280 nan 0.000 0.507 82 V N 0.176 119.879 119.914 -0.351 0.000 2.307 82 V HA -0.270 3.861 4.120 0.017 0.000 0.245 82 V C 2.545 178.505 176.094 -0.223 0.000 1.045 82 V CA 2.615 64.670 62.300 -0.409 0.000 1.024 82 V CB -1.316 30.343 31.823 -0.273 0.000 0.651 82 V HN 0.677 nan 8.190 nan 0.000 0.449 83 T N -2.818 111.669 114.554 -0.112 0.000 3.043 83 T HA 0.229 4.589 4.350 0.017 0.000 0.263 83 T C 1.628 176.304 174.700 -0.039 0.000 1.094 83 T CA 1.205 63.268 62.100 -0.062 0.000 1.127 83 T CB 0.500 69.355 68.868 -0.022 0.000 0.905 83 T HN 1.006 nan 8.240 nan 0.000 0.490 84 G N 0.981 109.766 108.800 -0.025 0.000 2.175 84 G HA2 -0.186 3.785 3.960 0.017 0.000 0.244 84 G HA3 -0.186 3.785 3.960 0.017 0.000 0.244 84 G C 0.218 175.136 174.900 0.031 0.000 0.982 84 G CA 0.364 45.466 45.100 0.003 0.000 0.641 84 G HN 1.550 nan 8.290 nan 0.000 0.527 85 S N -0.837 114.886 115.700 0.040 0.000 2.588 85 S HA 0.601 5.081 4.470 0.017 0.000 0.275 85 S C -0.964 173.682 174.600 0.077 0.000 1.130 85 S CA -0.263 57.969 58.200 0.053 0.000 0.855 85 S CB 2.535 65.760 63.200 0.042 0.000 1.116 85 S HN 0.307 nan 8.310 nan 0.000 0.472 86 D N 0.109 120.559 120.400 0.084 0.000 2.487 86 D HA 0.061 4.712 4.640 0.017 0.000 0.243 86 D C 0.412 176.787 176.300 0.126 0.000 1.154 86 D CA -0.012 54.053 54.000 0.109 0.000 0.876 86 D CB 0.677 41.529 40.800 0.087 0.000 1.161 86 D HN 0.623 nan 8.370 nan 0.000 0.478 87 c N 3.584 122.300 118.600 0.193 0.000 2.697 87 c HA 0.315 4.896 4.570 0.017 0.000 0.267 87 c C 1.623 175.878 174.090 0.276 0.000 1.278 87 c CA 0.055 56.525 56.329 0.235 0.000 1.708 87 c CB -1.266 41.404 42.510 0.267 0.000 1.860 87 c HN 0.895 nan 8.230 nan 0.000 0.589 88 G N 1.802 110.707 108.800 0.176 0.000 2.629 88 G HA2 -0.360 3.611 3.960 0.017 0.000 0.313 88 G HA3 -0.360 3.611 3.960 0.017 0.000 0.313 88 G C 0.193 175.075 174.900 -0.030 0.000 1.217 88 G CA 1.047 46.189 45.100 0.069 0.000 0.994 88 G HN 0.447 nan 8.290 nan 0.000 0.549 89 D N 0.240 120.641 120.400 0.002 0.000 2.772 89 D HA 0.492 5.143 4.640 0.017 0.000 0.272 89 D C -0.106 176.320 176.300 0.211 0.000 1.314 89 D CA 0.819 54.782 54.000 -0.062 0.000 0.835 89 D CB -0.106 40.641 40.800 -0.089 0.000 1.080 89 D HN 0.494 nan 8.370 nan 0.000 0.482 90 S N 0.930 116.857 115.700 0.379 0.000 2.524 90 S HA 0.287 4.767 4.470 0.017 0.000 0.227 90 S C -0.905 173.865 174.600 0.283 0.000 1.304 90 S CA -0.727 57.651 58.200 0.296 0.000 1.185 90 S CB -0.045 63.252 63.200 0.161 0.000 1.104 90 S HN 0.242 nan 8.310 nan 0.000 0.475 91 L N 6.629 127.961 121.223 0.182 0.000 2.562 91 L HA 0.203 4.553 4.340 0.017 0.000 0.271 91 L C 1.354 178.190 176.870 -0.056 0.000 1.167 91 L CA 0.692 55.417 54.840 -0.191 0.000 0.917 91 L CB 0.447 42.264 42.059 -0.403 0.000 1.187 91 L HN 0.548 nan 8.230 nan 0.000 0.482 92 V N 3.963 123.848 119.914 -0.049 0.000 2.252 92 V HA -0.214 3.916 4.120 0.017 0.000 0.249 92 V C 0.791 176.872 176.094 -0.022 0.000 1.056 92 V CA 2.165 64.456 62.300 -0.014 0.000 1.022 92 V CB -0.933 30.883 31.823 -0.013 0.000 0.641 92 V HN 1.089 nan 8.190 nan 0.000 0.445 93 N N -2.854 115.819 118.700 -0.045 0.000 3.106 93 N HA 0.293 5.043 4.740 0.017 0.000 0.253 93 N C -0.224 175.256 175.510 -0.050 0.000 1.506 93 N CA -0.747 52.282 53.050 -0.036 0.000 0.876 93 N CB 0.906 39.379 38.487 -0.023 0.000 1.452 93 N HN -0.077 nan 8.380 nan 0.000 0.542 94 L N -0.577 120.625 121.223 -0.035 0.000 2.209 94 L HA 0.071 4.421 4.340 0.017 0.000 0.207 94 L C 1.571 178.418 176.870 -0.039 0.000 1.094 94 L CA 1.053 55.871 54.840 -0.038 0.000 0.790 94 L CB -0.497 41.549 42.059 -0.022 0.000 0.932 94 L HN 0.679 nan 8.230 nan 0.000 0.447 95 T N 1.444 115.981 114.554 -0.029 0.000 2.759 95 T HA -0.162 4.199 4.350 0.017 0.000 0.269 95 T C 1.797 176.477 174.700 -0.034 0.000 1.042 95 T CA 1.676 63.762 62.100 -0.022 0.000 1.140 95 T CB -0.326 68.536 68.868 -0.010 0.000 0.864 95 T HN 0.307 nan 8.240 nan 0.000 0.455 96 L N 0.230 121.426 121.223 -0.045 0.000 2.349 96 L HA 0.097 4.448 4.340 0.017 0.000 0.220 96 L C 1.918 178.760 176.870 -0.047 0.000 1.130 96 L CA 1.433 56.238 54.840 -0.058 0.000 0.791 96 L CB -1.299 40.719 42.059 -0.070 0.000 0.918 96 L HN 0.167 nan 8.230 nan 0.000 0.444 97 L N 0.310 121.505 121.223 -0.048 0.000 2.456 97 L HA 0.007 4.358 4.340 0.017 0.000 0.224 97 L C 2.408 179.254 176.870 -0.040 0.000 1.148 97 L CA 0.679 55.490 54.840 -0.047 0.000 0.825 97 L CB -0.632 41.358 42.059 -0.115 0.000 0.937 97 L HN 0.475 nan 8.230 nan 0.000 0.450 98 A N -0.469 122.326 122.820 -0.041 0.000 2.327 98 A HA 0.014 4.345 4.320 0.017 0.000 0.228 98 A C 0.729 178.283 177.584 -0.049 0.000 1.275 98 A CA -0.222 51.793 52.037 -0.036 0.000 0.875 98 A CB -0.435 18.553 19.000 -0.021 0.000 0.925 98 A HN 0.240 nan 8.150 nan 0.000 0.493 99 E N 2.431 122.605 120.200 -0.043 0.000 2.406 99 E HA 0.137 4.497 4.350 0.017 0.000 0.258 99 E C -2.272 174.301 176.600 -0.045 0.000 1.043 99 E CA -1.968 54.390 56.400 -0.070 0.000 0.929 99 E CB 0.423 30.092 29.700 -0.052 0.000 0.969 99 E HN 0.295 nan 8.360 nan 0.000 0.462 100 P HA 0.016 nan 4.420 nan 0.000 0.272 100 P C -0.706 176.577 177.300 -0.028 0.000 1.230 100 P CA 0.059 63.008 63.100 -0.252 0.000 0.788 100 P CB 0.238 31.484 31.700 -0.758 0.000 0.949 101 H N -1.233 117.829 119.070 -0.014 0.000 2.655 101 H HA -0.185 4.381 4.556 0.017 0.000 0.313 101 H C 0.628 176.068 175.328 0.187 0.000 1.141 101 H CA 0.187 56.227 56.048 -0.013 0.000 1.138 101 H CB -1.421 28.244 29.762 -0.162 0.000 1.446 101 H HN 0.623 nan 8.280 nan 0.000 0.415 102 A N -0.037 122.995 122.820 0.353 0.000 2.597 102 A HA 0.385 4.715 4.320 0.017 0.000 0.191 102 A C 0.849 178.683 177.584 0.418 0.000 1.336 102 A CA 0.041 52.374 52.037 0.494 0.000 1.516 102 A CB -0.419 18.842 19.000 0.436 0.000 1.849 102 A HN 0.120 nan 8.150 nan 0.000 0.640 103 F N 1.183 121.289 119.950 0.259 0.000 2.118 103 F HA 0.204 4.738 4.527 0.013 0.000 0.293 103 F C 1.089 177.001 175.800 0.188 0.000 1.102 103 F CA 1.201 59.326 58.000 0.209 0.000 1.247 103 F CB -0.143 38.968 39.000 0.185 0.000 1.017 103 F HN 0.369 nan 8.300 nan 0.000 0.475 104 E N 1.171 121.577 120.200 0.344 0.000 2.414 104 E HA 0.026 4.387 4.350 0.017 0.000 0.263 104 E C -1.084 175.598 176.600 0.136 0.000 1.000 104 E CA 0.294 56.756 56.400 0.103 0.000 0.914 104 E CB 0.303 30.007 29.700 0.007 0.000 0.948 104 E HN 0.572 nan 8.360 nan 0.000 0.444 105 H N 0.383 119.492 119.070 0.065 0.000 2.949 105 H HA 0.447 5.013 4.556 0.016 0.000 0.356 105 H C -0.718 174.561 175.328 -0.082 0.000 1.212 105 H CA -1.030 55.011 56.048 -0.011 0.000 1.136 105 H CB 0.485 30.197 29.762 -0.085 0.000 1.869 105 H HN 0.190 nan 8.280 nan 0.000 0.556 106 D N 0.015 120.434 120.400 0.032 0.000 2.371 106 D HA 0.077 4.727 4.640 0.017 0.000 0.242 106 D C 0.208 176.369 176.300 -0.231 0.000 1.218 106 D CA 0.973 54.979 54.000 0.010 0.000 0.945 106 D CB -0.090 40.720 40.800 0.018 0.000 1.137 106 D HN 1.054 nan 8.370 nan 0.000 0.464 107 H N -2.646 116.581 119.070 0.262 0.000 2.655 107 H HA -0.161 4.405 4.556 0.018 0.000 0.313 107 H C -0.644 174.742 175.328 0.097 0.000 1.141 107 H CA 0.569 56.751 56.048 0.223 0.000 1.138 107 H CB -2.394 27.549 29.762 0.302 0.000 1.446 107 H HN 0.033 nan 8.280 nan 0.000 0.415 108 S N -0.461 115.248 115.700 0.016 0.000 2.584 108 S HA 0.176 4.656 4.470 0.017 0.000 0.270 108 S C 1.146 175.788 174.600 0.070 0.000 1.346 108 S CA -0.099 58.082 58.200 -0.033 0.000 1.018 108 S CB 0.214 63.369 63.200 -0.074 0.000 0.899 108 S HN 0.360 nan 8.310 nan 0.000 0.542 109 F N 1.205 121.360 119.950 0.342 0.000 2.259 109 F HA -0.021 4.516 4.527 0.016 0.000 0.298 109 F C 2.306 178.325 175.800 0.364 0.000 1.088 109 F CA 1.058 59.309 58.000 0.419 0.000 1.358 109 F CB -0.185 39.197 39.000 0.637 0.000 1.040 109 F HN 0.636 nan 8.300 nan 0.000 0.505 110 S N -2.314 113.631 115.700 0.409 0.000 2.893 110 S HA 0.411 4.891 4.470 0.017 0.000 0.258 110 S C 0.188 174.717 174.600 -0.118 0.000 1.034 110 S CA -0.629 57.664 58.200 0.155 0.000 1.167 110 S CB 0.316 63.601 63.200 0.142 0.000 1.137 110 S HN -0.008 nan 8.310 nan 0.000 0.650 111 R N 1.746 122.222 120.500 -0.039 0.000 2.740 111 R HA 0.611 4.962 4.340 0.017 0.000 0.282 111 R C -0.745 175.532 176.300 -0.039 0.000 0.969 111 R CA -0.534 55.511 56.100 -0.092 0.000 0.918 111 R CB 1.070 31.322 30.300 -0.080 0.000 1.175 111 R HN 0.172 nan 8.270 nan 0.000 0.464 112 K N 0.919 121.288 120.400 -0.052 0.000 2.219 112 K HA 0.144 4.475 4.320 0.017 0.000 0.258 112 K C -0.455 176.166 176.600 0.035 0.000 1.008 112 K CA -0.357 55.926 56.287 -0.007 0.000 0.928 112 K CB 0.447 32.926 32.500 -0.035 0.000 0.983 112 K HN 0.443 nan 8.250 nan 0.000 0.484 113 D N 0.475 120.928 120.400 0.087 0.000 2.313 113 D HA -0.016 4.635 4.640 0.017 0.000 0.247 113 D C 0.756 177.094 176.300 0.063 0.000 1.094 113 D CA -0.064 54.031 54.000 0.159 0.000 0.925 113 D CB 0.446 41.432 40.800 0.310 0.000 1.188 113 D HN 0.423 nan 8.370 nan 0.000 0.430 114 Y N 1.376 121.613 120.300 -0.105 0.000 2.139 114 Y HA -0.226 4.335 4.550 0.018 0.000 0.282 114 Y C 1.176 176.758 175.900 -0.529 0.000 1.179 114 Y CA 1.761 59.653 58.100 -0.346 0.000 1.161 114 Y CB 0.274 38.425 38.460 -0.516 0.000 0.970 114 Y HN 0.231 nan 8.280 nan 0.000 0.511 115 K N 0.641 120.587 120.400 -0.757 0.000 2.726 115 K HA 0.089 4.419 4.320 0.017 0.000 0.209 115 K C -0.319 176.171 176.600 -0.183 0.000 1.082 115 K CA -0.199 55.727 56.287 -0.603 0.000 1.081 115 K CB 0.470 32.482 32.500 -0.813 0.000 0.830 115 K HN 0.246 nan 8.250 nan 0.000 0.470 116 Q N 0.557 120.300 119.800 -0.095 0.000 2.286 116 Q HA 0.081 4.431 4.340 0.017 0.000 0.267 116 Q C 0.680 176.679 176.000 -0.001 0.000 1.028 116 Q CA 0.688 56.504 55.803 0.021 0.000 0.901 116 Q CB 0.413 29.174 28.738 0.039 0.000 1.183 116 Q HN 0.590 nan 8.270 nan 0.000 0.392 117 G N 2.706 111.531 108.800 0.042 0.000 2.203 117 G HA2 -0.277 3.693 3.960 0.017 0.000 0.263 117 G HA3 -0.277 3.693 3.960 0.017 0.000 0.263 117 G C 0.074 174.989 174.900 0.024 0.000 1.012 117 G CA 0.356 45.473 45.100 0.029 0.000 0.749 117 G HN 0.905 nan 8.290 nan 0.000 0.512 118 V N -2.779 117.160 119.914 0.043 0.000 2.649 118 V HA 0.809 4.939 4.120 0.017 0.000 0.292 118 V C 1.341 177.527 176.094 0.152 0.000 1.055 118 V CA 0.398 62.709 62.300 0.019 0.000 1.023 118 V CB 1.215 32.978 31.823 -0.100 0.000 0.992 118 V HN 1.188 nan 8.190 nan 0.000 0.480 119 A N 3.615 126.486 122.820 0.085 0.000 2.021 119 A HA 0.199 4.530 4.320 0.017 0.000 0.216 119 A C 0.919 178.631 177.584 0.214 0.000 1.163 119 A CA 0.657 52.777 52.037 0.138 0.000 0.676 119 A CB -0.731 18.302 19.000 0.055 0.000 0.818 119 A HN 0.939 nan 8.150 nan 0.000 0.453 120 N N -1.337 117.391 118.700 0.046 0.000 2.319 120 N HA 0.330 5.080 4.740 0.017 0.000 0.305 120 N C 0.938 176.126 175.510 -0.537 0.000 1.103 120 N CA 0.263 53.262 53.050 -0.085 0.000 0.815 120 N CB 1.817 40.256 38.487 -0.080 0.000 1.288 120 N HN 0.136 nan 8.380 nan 0.000 0.493 121 S N 1.186 116.436 115.700 -0.751 0.000 2.383 121 S HA -0.190 4.290 4.470 0.017 0.000 0.229 121 S C 0.974 175.258 174.600 -0.526 0.000 1.030 121 S CA 1.228 58.752 58.200 -1.127 0.000 1.002 121 S CB -0.409 62.507 63.200 -0.474 0.000 0.829 121 S HN 0.597 nan 8.310 nan 0.000 0.467 122 N N 1.433 119.972 118.700 -0.268 0.000 2.422 122 N HA 0.104 4.855 4.740 0.017 0.000 0.181 122 N C -0.669 174.793 175.510 -0.079 0.000 1.080 122 N CA 0.212 53.202 53.050 -0.099 0.000 0.893 122 N CB 0.061 38.530 38.487 -0.029 0.000 0.973 122 N HN 0.395 nan 8.380 nan 0.000 0.456 123 D N 0.286 120.562 120.400 -0.206 0.000 2.362 123 D HA 0.195 4.845 4.640 0.017 0.000 0.242 123 D C -0.356 175.766 176.300 -0.295 0.000 1.132 123 D CA 0.247 54.094 54.000 -0.255 0.000 0.907 123 D CB 0.620 41.260 40.800 -0.267 0.000 1.195 123 D HN 0.082 nan 8.370 nan 0.000 0.429 124 F N -0.829 118.821 119.950 -0.501 0.000 2.645 124 F HA 0.644 5.182 4.527 0.018 0.000 0.310 124 F C -0.970 174.501 175.800 -0.549 0.000 1.102 124 F CA -1.203 56.313 58.000 -0.806 0.000 0.952 124 F CB 0.765 38.870 39.000 -1.492 0.000 1.326 124 F HN 0.279 nan 8.300 nan 0.000 0.456 125 I N -1.758 118.593 120.570 -0.364 0.000 3.445 125 I HA 0.588 4.769 4.170 0.017 0.000 0.303 125 I C -1.001 175.077 176.117 -0.066 0.000 1.129 125 I CA -1.014 60.148 61.300 -0.231 0.000 0.989 125 I CB 1.691 39.575 38.000 -0.193 0.000 1.314 125 I HN 0.595 nan 8.210 nan 0.000 0.488 126 D N 2.744 123.114 120.400 -0.051 0.000 2.346 126 D HA 0.029 4.679 4.640 0.017 0.000 0.267 126 D C 0.091 176.393 176.300 0.002 0.000 1.320 126 D CA 0.114 54.115 54.000 0.002 0.000 0.951 126 D CB 0.096 40.884 40.800 -0.021 0.000 1.079 126 D HN 0.672 nan 8.370 nan 0.000 0.509 127 N N 3.372 122.106 118.700 0.056 0.000 2.251 127 N HA -0.001 4.749 4.740 0.017 0.000 0.217 127 N C 0.968 176.482 175.510 0.006 0.000 1.124 127 N CA -0.196 52.881 53.050 0.045 0.000 0.843 127 N CB 0.401 38.965 38.487 0.129 0.000 1.024 127 N HN 0.412 nan 8.380 nan 0.000 0.501 128 R N -0.034 120.464 120.500 -0.002 0.000 2.197 128 R HA 0.225 4.575 4.340 0.017 0.000 0.188 128 R C -0.301 175.977 176.300 -0.038 0.000 1.015 128 R CA -0.160 55.929 56.100 -0.018 0.000 1.132 128 R CB 0.122 30.427 30.300 0.009 0.000 1.134 128 R HN -0.005 nan 8.270 nan 0.000 0.560 129 N N 1.275 119.959 118.700 -0.027 0.000 2.508 129 N HA -0.036 4.715 4.740 0.017 0.000 0.264 129 N C -0.772 174.646 175.510 -0.152 0.000 1.216 129 N CA -0.020 53.010 53.050 -0.033 0.000 0.943 129 N CB 0.403 38.908 38.487 0.030 0.000 1.113 129 N HN 0.048 nan 8.380 nan 0.000 0.447 130 F N 1.203 120.887 119.950 -0.442 0.000 2.623 130 F HA -0.085 4.452 4.527 0.017 0.000 0.383 130 F C 0.424 175.897 175.800 -0.545 0.000 1.077 130 F CA 0.105 57.732 58.000 -0.623 0.000 1.268 130 F CB 0.271 38.667 39.000 -1.006 0.000 1.053 130 F HN 0.398 nan 8.300 nan 0.000 0.571 131 D N 5.103 124.834 120.400 -1.115 0.000 2.471 131 D HA 0.477 5.128 4.640 0.017 0.000 0.245 131 D C 0.552 176.268 176.300 -0.974 0.000 1.116 131 D CA 0.051 53.583 54.000 -0.781 0.000 0.853 131 D CB 1.602 42.168 40.800 -0.389 0.000 1.123 131 D HN 0.658 nan 8.370 nan 0.000 0.540 132 A N 3.884 126.271 122.820 -0.721 0.000 1.908 132 A HA -0.216 4.114 4.320 0.017 0.000 0.218 132 A C 1.929 179.415 177.584 -0.164 0.000 1.181 132 A CA 1.265 53.106 52.037 -0.326 0.000 0.627 132 A CB -0.451 18.548 19.000 -0.002 0.000 0.818 132 A HN 0.692 nan 8.150 nan 0.000 0.445 133 E N -0.347 119.762 120.200 -0.151 0.000 2.058 133 E HA -0.174 4.187 4.350 0.017 0.000 0.194 133 E C 2.077 178.630 176.600 -0.079 0.000 0.997 133 E CA 1.946 58.292 56.400 -0.090 0.000 0.801 133 E CB -0.382 29.272 29.700 -0.077 0.000 0.746 133 E HN 0.563 nan 8.360 nan 0.000 0.450 134 T N 1.049 115.540 114.554 -0.105 0.000 2.708 134 T HA -0.160 4.201 4.350 0.017 0.000 0.266 134 T C 1.540 176.263 174.700 0.037 0.000 1.037 134 T CA 1.353 63.430 62.100 -0.038 0.000 1.146 134 T CB -0.549 68.286 68.868 -0.055 0.000 0.865 134 T HN 0.172 nan 8.240 nan 0.000 0.435 135 F N 2.026 121.850 119.950 -0.211 0.000 2.161 135 F HA -0.084 4.454 4.527 0.019 0.000 0.300 135 F C 2.477 178.208 175.800 -0.115 0.000 1.089 135 F CA 1.061 58.971 58.000 -0.149 0.000 1.282 135 F CB -0.653 38.249 39.000 -0.163 0.000 1.010 135 F HN 0.030 nan 8.300 nan 0.000 0.485 136 Q N 0.064 119.789 119.800 -0.126 0.000 2.170 136 Q HA -0.156 4.195 4.340 0.017 0.000 0.203 136 Q C 2.370 178.282 176.000 -0.147 0.000 0.976 136 Q CA 2.375 58.068 55.803 -0.184 0.000 0.858 136 Q CB -0.721 27.962 28.738 -0.092 0.000 0.907 136 Q HN 0.545 nan 8.270 nan 0.000 0.433 137 T N -3.292 111.218 114.554 -0.074 0.000 2.833 137 T HA -0.065 4.295 4.350 0.017 0.000 0.269 137 T C 1.986 176.674 174.700 -0.020 0.000 1.054 137 T CA 1.462 63.544 62.100 -0.030 0.000 1.135 137 T CB -0.330 68.545 68.868 0.012 0.000 0.869 137 T HN 0.123 nan 8.240 nan 0.000 0.466 138 S N 1.452 117.136 115.700 -0.026 0.000 2.357 138 S HA 0.206 4.686 4.470 0.017 0.000 0.221 138 S C 1.947 176.472 174.600 -0.126 0.000 1.031 138 S CA 0.951 59.165 58.200 0.022 0.000 0.982 138 S CB -0.451 62.848 63.200 0.165 0.000 0.853 138 S HN 0.435 nan 8.310 nan 0.000 0.458 139 L N 1.354 122.369 121.223 -0.347 0.000 2.141 139 L HA -0.101 4.250 4.340 0.017 0.000 0.209 139 L C 1.837 178.612 176.870 -0.159 0.000 1.094 139 L CA 0.896 55.541 54.840 -0.324 0.000 0.763 139 L CB -0.596 41.161 42.059 -0.503 0.000 0.908 139 L HN 0.161 nan 8.230 nan 0.000 0.437 140 D N -0.334 119.989 120.400 -0.128 0.000 2.263 140 D HA -0.127 4.524 4.640 0.017 0.000 0.208 140 D C 2.271 178.541 176.300 -0.051 0.000 0.971 140 D CA 0.835 54.791 54.000 -0.074 0.000 0.867 140 D CB -0.022 40.743 40.800 -0.058 0.000 0.929 140 D HN 0.094 nan 8.370 nan 0.000 0.492 141 V N 0.482 120.364 119.914 -0.053 0.000 2.515 141 V HA -0.144 3.986 4.120 0.017 0.000 0.250 141 V C 1.882 177.948 176.094 -0.048 0.000 1.058 141 V CA 1.381 63.656 62.300 -0.042 0.000 1.064 141 V CB -0.280 31.520 31.823 -0.038 0.000 0.675 141 V HN 0.201 nan 8.190 nan 0.000 0.461 142 V N -2.136 117.741 119.914 -0.062 0.000 2.940 142 V HA 0.695 4.826 4.120 0.017 0.000 0.366 142 V C 0.622 176.717 176.094 0.003 0.000 1.353 142 V CA -0.508 61.776 62.300 -0.026 0.000 1.232 142 V CB -0.372 31.427 31.823 -0.039 0.000 1.278 142 V HN 0.216 nan 8.190 nan 0.000 0.546 143 A N 0.800 123.611 122.820 -0.014 0.000 2.511 143 A HA 0.514 4.845 4.320 0.017 0.000 0.242 143 A C 1.674 179.262 177.584 0.007 0.000 1.069 143 A CA 0.913 52.944 52.037 -0.011 0.000 0.763 143 A CB -0.471 18.517 19.000 -0.020 0.000 1.001 143 A HN 2.103 nan 8.150 nan 0.000 0.498 144 G N 1.268 110.075 108.800 0.011 0.000 2.159 144 G HA2 -0.228 3.742 3.960 0.017 0.000 0.256 144 G HA3 -0.228 3.742 3.960 0.017 0.000 0.256 144 G C 0.144 175.062 174.900 0.030 0.000 0.977 144 G CA 0.915 46.026 45.100 0.018 0.000 0.652 144 G HN 0.889 nan 8.290 nan 0.000 0.531 145 K N -0.574 119.852 120.400 0.043 0.000 2.208 145 K HA 0.651 4.982 4.320 0.017 0.000 0.247 145 K C 1.459 178.097 176.600 0.063 0.000 0.953 145 K CA -0.138 56.188 56.287 0.066 0.000 0.837 145 K CB 1.497 34.055 32.500 0.096 0.000 1.131 145 K HN 0.173 nan 8.250 nan 0.000 0.431 146 T N -2.605 111.994 114.554 0.075 0.000 3.023 146 T HA 0.115 4.475 4.350 0.017 0.000 0.249 146 T C 0.270 174.882 174.700 -0.145 0.000 1.050 146 T CA 0.447 62.551 62.100 0.007 0.000 1.088 146 T CB -0.082 68.830 68.868 0.074 0.000 0.946 146 T HN 0.500 nan 8.240 nan 0.000 0.480 147 H N 0.454 119.492 119.070 -0.053 0.000 2.865 147 H HA 0.650 5.216 4.556 0.017 0.000 0.372 147 H C -1.151 174.184 175.328 0.011 0.000 1.173 147 H CA -1.351 54.623 56.048 -0.123 0.000 1.147 147 H CB 1.596 31.259 29.762 -0.166 0.000 1.805 147 H HN 0.376 nan 8.280 nan 0.000 0.553 148 F N -0.621 119.331 119.950 0.003 0.000 2.599 148 F HA 0.596 5.133 4.527 0.017 0.000 0.311 148 F C -1.021 174.790 175.800 0.018 0.000 1.076 148 F CA -1.162 56.835 58.000 -0.006 0.000 0.937 148 F CB 1.232 40.209 39.000 -0.039 0.000 1.282 148 F HN 0.512 nan 8.300 nan 0.000 0.460 149 D N 0.490 121.094 120.400 0.340 0.000 2.588 149 D HA 0.250 4.901 4.640 0.017 0.000 0.268 149 D C 0.694 177.256 176.300 0.438 0.000 1.176 149 D CA -0.416 53.728 54.000 0.240 0.000 1.080 149 D CB 0.008 40.860 40.800 0.086 0.000 1.186 149 D HN 0.488 nan 8.370 nan 0.000 0.619 150 Y N -0.210 120.233 120.300 0.239 0.000 2.128 150 Y HA -0.069 4.491 4.550 0.016 0.000 0.284 150 Y C 2.688 178.673 175.900 0.141 0.000 1.154 150 Y CA 1.749 59.900 58.100 0.084 0.000 1.149 150 Y CB -1.232 37.152 38.460 -0.127 0.000 0.976 150 Y HN 0.537 nan 8.280 nan 0.000 0.505 151 A N 0.057 123.040 122.820 0.272 0.000 1.902 151 A HA -0.193 4.138 4.320 0.017 0.000 0.217 151 A C 2.027 179.707 177.584 0.159 0.000 1.181 151 A CA 1.981 54.122 52.037 0.173 0.000 0.623 151 A CB -0.724 18.350 19.000 0.124 0.000 0.818 151 A HN 0.397 nan 8.150 nan 0.000 0.443 152 D N -0.839 119.675 120.400 0.189 0.000 2.097 152 D HA -0.169 4.482 4.640 0.017 0.000 0.195 152 D C 1.841 178.155 176.300 0.024 0.000 0.989 152 D CA 1.836 55.898 54.000 0.104 0.000 0.827 152 D CB -0.384 40.509 40.800 0.155 0.000 0.966 152 D HN 0.420 nan 8.370 nan 0.000 0.456 153 M N 1.298 121.004 119.600 0.177 0.000 2.108 153 M HA -0.166 4.325 4.480 0.017 0.000 0.261 153 M C 1.534 177.956 176.300 0.203 0.000 1.066 153 M CA 1.346 56.747 55.300 0.168 0.000 1.107 153 M CB -0.500 32.434 32.600 0.556 0.000 1.356 153 M HN -0.161 nan 8.290 nan 0.000 0.406 154 N N 0.112 118.931 118.700 0.198 0.000 2.120 154 N HA -0.166 4.584 4.740 0.017 0.000 0.188 154 N C 1.506 177.084 175.510 0.113 0.000 1.024 154 N CA 1.585 54.725 53.050 0.150 0.000 0.852 154 N CB -0.150 38.404 38.487 0.112 0.000 1.003 154 N HN 0.438 nan 8.380 nan 0.000 0.424 155 E N 0.177 120.428 120.200 0.085 0.000 2.106 155 E HA -0.103 4.258 4.350 0.017 0.000 0.192 155 E C 2.167 178.809 176.600 0.069 0.000 0.984 155 E CA 0.602 57.036 56.400 0.056 0.000 0.806 155 E CB -0.177 29.542 29.700 0.032 0.000 0.750 155 E HN 0.517 nan 8.360 nan 0.000 0.458 156 I N 1.366 121.985 120.570 0.080 0.000 2.142 156 I HA -0.321 3.859 4.170 0.017 0.000 0.240 156 I C 2.629 178.901 176.117 0.258 0.000 1.078 156 I CA 1.716 63.106 61.300 0.150 0.000 1.343 156 I CB -0.301 37.776 38.000 0.128 0.000 1.046 156 I HN 0.075 nan 8.210 nan 0.000 0.405 157 R N 1.627 122.318 120.500 0.320 0.000 2.120 157 R HA -0.111 4.239 4.340 0.017 0.000 0.234 157 R C 1.957 178.310 176.300 0.090 0.000 1.123 157 R CA 1.493 57.733 56.100 0.232 0.000 0.975 157 R CB -1.212 29.237 30.300 0.248 0.000 0.866 157 R HN 0.299 nan 8.270 nan 0.000 0.446 158 L N 0.249 121.516 121.223 0.073 0.000 2.046 158 L HA -0.139 4.212 4.340 0.017 0.000 0.208 158 L C 2.846 179.726 176.870 0.017 0.000 1.077 158 L CA 1.712 56.564 54.840 0.020 0.000 0.747 158 L CB -0.530 41.542 42.059 0.021 0.000 0.896 158 L HN 0.314 nan 8.230 nan 0.000 0.432 159 Q N -0.069 119.758 119.800 0.045 0.000 2.096 159 Q HA -0.199 4.151 4.340 0.017 0.000 0.204 159 Q C 2.348 178.380 176.000 0.053 0.000 0.982 159 Q CA 1.558 57.384 55.803 0.040 0.000 0.850 159 Q CB 0.035 28.802 28.738 0.049 0.000 0.901 159 Q HN 0.172 nan 8.270 nan 0.000 0.422 160 R N 0.360 120.918 120.500 0.097 0.000 2.081 160 R HA -0.093 4.258 4.340 0.017 0.000 0.235 160 R C 2.118 178.502 176.300 0.139 0.000 1.131 160 R CA 1.578 57.759 56.100 0.134 0.000 0.960 160 R CB -0.436 29.967 30.300 0.171 0.000 0.856 160 R HN 0.539 nan 8.270 nan 0.000 0.436 161 E N 0.268 120.498 120.200 0.050 0.000 2.077 161 E HA -0.147 4.214 4.350 0.017 0.000 0.193 161 E C 1.969 178.491 176.600 -0.129 0.000 0.989 161 E CA 1.386 57.776 56.400 -0.016 0.000 0.800 161 E CB -0.112 29.491 29.700 -0.162 0.000 0.746 161 E HN 0.171 nan 8.360 nan 0.000 0.452 162 S N 0.770 116.410 115.700 -0.100 0.000 2.348 162 S HA -0.144 4.336 4.470 0.017 0.000 0.221 162 S C 2.076 176.606 174.600 -0.116 0.000 1.033 162 S CA 0.896 59.019 58.200 -0.128 0.000 1.010 162 S CB -0.226 62.933 63.200 -0.069 0.000 0.891 162 S HN 0.159 nan 8.310 nan 0.000 0.442 163 L N 0.944 122.143 121.223 -0.040 0.000 2.012 163 L HA -0.092 4.258 4.340 0.017 0.000 0.210 163 L C 2.842 179.713 176.870 0.002 0.000 1.073 163 L CA 1.550 56.384 54.840 -0.010 0.000 0.748 163 L CB -0.565 41.511 42.059 0.029 0.000 0.891 163 L HN 0.322 nan 8.230 nan 0.000 0.431 164 S N -0.356 115.375 115.700 0.052 0.000 2.368 164 S HA -0.181 4.300 4.470 0.017 0.000 0.224 164 S C 1.752 176.352 174.600 -0.001 0.000 1.029 164 S CA 1.437 59.738 58.200 0.169 0.000 0.988 164 S CB -0.403 63.082 63.200 0.476 0.000 0.838 164 S HN 0.409 nan 8.310 nan 0.000 0.462 165 N N 1.297 119.683 118.700 -0.524 0.000 2.223 165 N HA -0.108 4.642 4.740 0.017 0.000 0.185 165 N C 1.513 176.874 175.510 -0.249 0.000 1.016 165 N CA 1.214 53.808 53.050 -0.759 0.000 0.863 165 N CB -0.100 37.763 38.487 -1.041 0.000 0.983 165 N HN 0.528 nan 8.380 nan 0.000 0.429 166 E N -0.763 119.343 120.200 -0.156 0.000 2.122 166 E HA 0.028 4.388 4.350 0.017 0.000 0.190 166 E C 1.675 178.261 176.600 -0.023 0.000 0.977 166 E CA 0.472 56.825 56.400 -0.079 0.000 0.820 166 E CB 0.143 29.802 29.700 -0.068 0.000 0.770 166 E HN 0.352 nan 8.360 nan 0.000 0.462 167 L N 0.926 122.156 121.223 0.012 0.000 2.354 167 L HA 0.044 4.395 4.340 0.017 0.000 0.212 167 L C 0.312 177.238 176.870 0.093 0.000 1.091 167 L CA 0.004 54.870 54.840 0.043 0.000 0.828 167 L CB 0.137 42.224 42.059 0.045 0.000 0.973 167 L HN -0.042 nan 8.230 nan 0.000 0.461 168 D N 0.276 120.776 120.400 0.166 0.000 2.399 168 D HA 0.021 4.672 4.640 0.017 0.000 0.241 168 D C -0.249 176.207 176.300 0.260 0.000 1.133 168 D CA -0.138 54.027 54.000 0.275 0.000 0.890 168 D CB 0.580 41.684 40.800 0.507 0.000 1.201 168 D HN -0.188 nan 8.370 nan 0.000 0.432 169 F N 2.264 122.299 119.950 0.143 0.000 2.623 169 F HA 0.088 4.626 4.527 0.017 0.000 0.383 169 F C -1.712 174.215 175.800 0.211 0.000 1.077 169 F CA -1.262 56.817 58.000 0.131 0.000 1.268 169 F CB 0.291 39.338 39.000 0.079 0.000 1.053 169 F HN 0.155 nan 8.300 nan 0.000 0.571 170 P HA 0.092 nan 4.420 nan 0.000 0.260 170 P C 0.440 177.867 177.300 0.211 0.000 1.172 170 P CA 1.756 64.803 63.100 -0.088 0.000 0.760 170 P CB 0.252 31.774 31.700 -0.297 0.000 0.773 171 G N 2.567 111.516 108.800 0.249 0.000 2.241 171 G HA2 -0.267 3.704 3.960 0.017 0.000 0.244 171 G HA3 -0.267 3.704 3.960 0.017 0.000 0.244 171 G C 1.007 176.126 174.900 0.366 0.000 0.998 171 G CA 0.129 45.399 45.100 0.284 0.000 0.621 171 G HN 0.567 nan 8.290 nan 0.000 0.519 172 W N 1.025 122.514 121.300 0.314 0.000 2.407 172 W HA 0.317 4.987 4.660 0.017 0.000 0.305 172 W C 1.085 177.820 176.519 0.361 0.000 1.196 172 W CA 0.845 58.396 57.345 0.343 0.000 1.311 172 W CB -0.299 29.353 29.460 0.320 0.000 1.135 172 W HN 0.233 nan 8.180 nan 0.000 0.514 173 F N 3.492 123.571 119.950 0.216 0.000 2.612 173 F HA 0.035 4.573 4.527 0.018 0.000 0.389 173 F C -0.431 175.333 175.800 -0.059 0.000 1.055 173 F CA 1.432 59.499 58.000 0.112 0.000 1.232 173 F CB 0.659 39.759 39.000 0.167 0.000 1.044 173 F HN -0.353 nan 8.300 nan 0.000 0.560 174 T N 6.404 120.425 114.554 -0.888 0.000 2.949 174 T HA 0.128 4.488 4.350 0.017 0.000 0.300 174 T C -0.682 173.525 174.700 -0.823 0.000 0.988 174 T CA -0.737 60.901 62.100 -0.769 0.000 0.993 174 T CB 1.073 69.424 68.868 -0.862 0.000 0.984 174 T HN 0.660 nan 8.240 nan 0.000 0.442 175 E N 1.789 121.634 120.200 -0.592 0.000 2.413 175 E HA 0.231 4.591 4.350 0.017 0.000 0.263 175 E C -0.524 176.032 176.600 -0.072 0.000 1.015 175 E CA 0.044 56.318 56.400 -0.211 0.000 0.916 175 E CB 0.439 30.127 29.700 -0.021 0.000 0.947 175 E HN 0.527 nan 8.360 nan 0.000 0.440 176 S N 3.971 119.760 115.700 0.148 0.000 2.235 176 S HA 0.143 4.624 4.470 0.017 0.000 0.152 176 S C 0.317 174.866 174.600 -0.086 0.000 1.649 176 S CA -0.619 57.523 58.200 -0.096 0.000 1.277 176 S CB 0.704 63.732 63.200 -0.287 0.000 1.299 176 S HN 0.457 nan 8.310 nan 0.000 0.388 177 K N 1.867 122.254 120.400 -0.022 0.000 2.026 177 K HA -0.054 4.276 4.320 0.017 0.000 0.208 177 K C -1.080 175.486 176.600 -0.057 0.000 1.048 177 K CA 1.351 57.627 56.287 -0.018 0.000 0.929 177 K CB -0.807 31.682 32.500 -0.019 0.000 0.713 177 K HN 0.308 nan 8.250 nan 0.000 0.439 178 P HA -0.154 nan 4.420 nan 0.000 0.215 178 P C 1.196 178.439 177.300 -0.094 0.000 1.157 178 P CA 1.278 64.329 63.100 -0.082 0.000 0.868 178 P CB 0.041 31.687 31.700 -0.089 0.000 0.788 179 I N -0.861 119.628 120.570 -0.135 0.000 2.163 179 I HA -0.245 3.936 4.170 0.017 0.000 0.240 179 I C 2.775 178.847 176.117 -0.076 0.000 1.081 179 I CA 1.412 62.653 61.300 -0.098 0.000 1.353 179 I CB -0.771 37.195 38.000 -0.056 0.000 1.054 179 I HN -0.042 nan 8.210 nan 0.000 0.407 180 Q N 1.224 120.870 119.800 -0.256 0.000 2.135 180 Q HA -0.215 4.135 4.340 0.017 0.000 0.204 180 Q C 1.760 177.848 176.000 0.147 0.000 0.981 180 Q CA 1.756 57.524 55.803 -0.058 0.000 0.856 180 Q CB 0.017 28.682 28.738 -0.122 0.000 0.902 180 Q HN 0.492 nan 8.270 nan 0.000 0.425 181 N N -0.517 118.229 118.700 0.075 0.000 2.424 181 N HA -0.046 4.704 4.740 0.017 0.000 0.178 181 N C 1.628 177.163 175.510 0.042 0.000 1.060 181 N CA 0.616 53.737 53.050 0.119 0.000 0.901 181 N CB 0.375 38.913 38.487 0.084 0.000 0.979 181 N HN 0.108 nan 8.380 nan 0.000 0.451 182 V N 1.920 121.795 119.914 -0.065 0.000 2.295 182 V HA -0.223 3.908 4.120 0.017 0.000 0.246 182 V C 2.004 177.820 176.094 -0.464 0.000 1.049 182 V CA 1.709 63.847 62.300 -0.271 0.000 1.024 182 V CB -0.380 31.250 31.823 -0.321 0.000 0.648 182 V HN 0.264 nan 8.190 nan 0.000 0.447 183 E N -0.115 119.994 120.200 -0.151 0.000 2.150 183 E HA -0.154 4.206 4.350 0.017 0.000 0.193 183 E C 2.374 179.246 176.600 0.452 0.000 0.985 183 E CA 1.390 57.910 56.400 0.200 0.000 0.814 183 E CB -0.198 29.808 29.700 0.510 0.000 0.752 183 E HN 0.527 nan 8.360 nan 0.000 0.466 184 S N 0.305 116.274 115.700 0.448 0.000 2.359 184 S HA -0.167 4.313 4.470 0.017 0.000 0.224 184 S C 2.109 177.025 174.600 0.528 0.000 1.035 184 S CA 1.165 59.654 58.200 0.483 0.000 1.018 184 S CB -0.684 62.803 63.200 0.478 0.000 0.876 184 S HN 0.514 nan 8.310 nan 0.000 0.448 185 G N 1.161 110.182 108.800 0.368 0.000 2.440 185 G HA2 -0.182 3.788 3.960 0.017 0.000 0.218 185 G HA3 -0.182 3.788 3.960 0.017 0.000 0.218 185 G C 1.101 176.371 174.900 0.617 0.000 1.154 185 G CA 0.701 46.046 45.100 0.409 0.000 0.767 185 G HN 0.402 nan 8.290 nan 0.000 0.552 186 F N 1.062 121.276 119.950 0.439 0.000 2.126 186 F HA 0.009 4.548 4.527 0.019 0.000 0.299 186 F C 2.695 178.775 175.800 0.467 0.000 1.096 186 F CA 0.078 58.338 58.000 0.433 0.000 1.255 186 F CB -0.885 38.392 39.000 0.462 0.000 0.997 186 F HN 0.101 nan 8.300 nan 0.000 0.479 187 I N -1.358 119.608 120.570 0.660 0.000 2.179 187 I HA -0.337 3.844 4.170 0.017 0.000 0.242 187 I C 2.380 178.613 176.117 0.193 0.000 1.088 187 I CA 1.390 62.935 61.300 0.407 0.000 1.357 187 I CB -0.654 37.324 38.000 -0.038 0.000 1.051 187 I HN -0.046 nan 8.210 nan 0.000 0.409 188 F N 0.901 121.013 119.950 0.269 0.000 2.171 188 F HA -0.221 4.315 4.527 0.016 0.000 0.300 188 F C 2.603 178.652 175.800 0.415 0.000 1.090 188 F CA 1.400 59.578 58.000 0.297 0.000 1.293 188 F CB -0.673 38.541 39.000 0.356 0.000 1.013 188 F HN 0.010 nan 8.300 nan 0.000 0.486 189 A N -0.476 122.720 122.820 0.627 0.000 1.902 189 A HA -0.145 4.186 4.320 0.017 0.000 0.217 189 A C 2.064 179.715 177.584 0.111 0.000 1.181 189 A CA 1.635 53.808 52.037 0.227 0.000 0.623 189 A CB -0.864 18.323 19.000 0.311 0.000 0.818 189 A HN 0.347 nan 8.150 nan 0.000 0.443 190 L N -0.452 120.880 121.223 0.182 0.000 2.145 190 L HA 0.061 4.412 4.340 0.017 0.000 0.201 190 L C 1.703 178.718 176.870 0.242 0.000 1.075 190 L CA 1.956 56.863 54.840 0.110 0.000 0.773 190 L CB 0.296 42.243 42.059 -0.187 0.000 0.936 190 L HN 0.359 nan 8.230 nan 0.000 0.451 191 V N -2.973 117.064 119.914 0.205 0.000 3.070 191 V HA 0.396 4.526 4.120 0.017 0.000 0.345 191 V C 0.543 176.765 176.094 0.213 0.000 1.403 191 V CA -0.015 62.476 62.300 0.318 0.000 1.155 191 V CB -0.854 31.157 31.823 0.313 0.000 1.140 191 V HN 0.339 nan 8.190 nan 0.000 0.505 192 S N -0.103 115.670 115.700 0.122 0.000 2.585 192 S HA 0.296 4.777 4.470 0.017 0.000 0.273 192 S C 0.001 174.600 174.600 -0.002 0.000 1.339 192 S CA -0.126 58.087 58.200 0.022 0.000 1.028 192 S CB 1.257 64.574 63.200 0.195 0.000 0.906 192 S HN 0.444 nan 8.310 nan 0.000 0.528 193 D N 1.930 122.247 120.400 -0.138 0.000 2.435 193 D HA 0.153 4.803 4.640 0.017 0.000 0.230 193 D C 0.708 176.920 176.300 -0.146 0.000 1.215 193 D CA -0.818 53.002 54.000 -0.300 0.000 0.947 193 D CB -0.463 40.211 40.800 -0.210 0.000 1.048 193 D HN 0.549 nan 8.370 nan 0.000 0.512 194 F N 1.830 121.853 119.950 0.121 0.000 2.641 194 F HA 0.070 4.608 4.527 0.018 0.000 0.298 194 F C 1.305 177.138 175.800 0.056 0.000 1.146 194 F CA 0.036 58.068 58.000 0.053 0.000 1.464 194 F CB -1.125 37.855 39.000 -0.033 0.000 1.101 194 F HN 0.188 nan 8.300 nan 0.000 0.585 195 N N 0.408 119.229 118.700 0.203 0.000 2.457 195 N HA 0.101 4.851 4.740 0.017 0.000 0.180 195 N C 0.160 175.726 175.510 0.093 0.000 1.050 195 N CA -0.031 53.136 53.050 0.195 0.000 0.906 195 N CB 0.060 38.635 38.487 0.147 0.000 0.968 195 N HN 0.246 nan 8.380 nan 0.000 0.445 196 L N 1.697 122.945 121.223 0.043 0.000 2.371 196 L HA 0.194 4.544 4.340 0.017 0.000 0.272 196 L C -1.059 175.839 176.870 0.047 0.000 1.124 196 L CA -1.516 53.331 54.840 0.012 0.000 0.816 196 L CB 0.558 42.593 42.059 -0.041 0.000 1.129 196 L HN -0.056 nan 8.230 nan 0.000 0.448 197 P HA -0.149 nan 4.420 nan 0.000 0.220 197 P C 0.264 177.594 177.300 0.050 0.000 1.148 197 P CA 1.125 64.251 63.100 0.044 0.000 0.803 197 P CB 0.075 31.791 31.700 0.027 0.000 0.782 198 D N -1.481 118.945 120.400 0.042 0.000 2.643 198 D HA -0.027 4.623 4.640 0.017 0.000 0.244 198 D C 1.106 177.449 176.300 0.073 0.000 1.257 198 D CA -0.539 53.491 54.000 0.049 0.000 0.831 198 D CB -1.501 39.316 40.800 0.028 0.000 1.043 198 D HN 0.088 nan 8.370 nan 0.000 0.488 199 N N 1.084 119.844 118.700 0.100 0.000 2.192 199 N HA -0.193 4.558 4.740 0.017 0.000 0.188 199 N C 0.294 175.937 175.510 0.223 0.000 1.013 199 N CA 1.173 54.313 53.050 0.150 0.000 0.863 199 N CB 0.201 38.797 38.487 0.182 0.000 0.990 199 N HN 0.078 nan 8.380 nan 0.000 0.430 200 D N 0.003 120.527 120.400 0.207 0.000 2.289 200 D HA -0.039 4.612 4.640 0.017 0.000 0.207 200 D C 1.396 177.787 176.300 0.151 0.000 0.966 200 D CA 0.666 54.821 54.000 0.258 0.000 0.868 200 D CB 0.082 41.013 40.800 0.217 0.000 0.943 200 D HN 0.381 nan 8.370 nan 0.000 0.514 201 E N 0.335 120.596 120.200 0.101 0.000 2.057 201 E HA 0.020 4.381 4.350 0.017 0.000 0.190 201 E C 0.576 177.213 176.600 0.062 0.000 0.969 201 E CA 0.615 57.055 56.400 0.066 0.000 0.812 201 E CB 0.145 29.875 29.700 0.049 0.000 0.777 201 E HN -0.028 nan 8.360 nan 0.000 0.455 202 N N 0.724 119.442 118.700 0.030 0.000 2.790 202 N HA 0.176 4.926 4.740 0.017 0.000 0.256 202 N C -2.829 172.627 175.510 -0.089 0.000 1.409 202 N CA -1.991 51.031 53.050 -0.048 0.000 0.799 202 N CB 0.875 39.344 38.487 -0.029 0.000 1.170 202 N HN -0.152 nan 8.380 nan 0.000 0.507 203 P HA 0.108 nan 4.420 nan 0.000 0.268 203 P C -0.787 176.530 177.300 0.028 0.000 1.204 203 P CA 0.067 63.208 63.100 0.069 0.000 0.768 203 P CB 1.119 33.014 31.700 0.325 0.000 0.842 204 L N 3.215 124.445 121.223 0.011 0.000 2.325 204 L HA 0.352 4.702 4.340 0.017 0.000 0.281 204 L C 0.222 176.943 176.870 -0.248 0.000 1.004 204 L CA -1.337 53.456 54.840 -0.078 0.000 0.823 204 L CB 2.016 44.054 42.059 -0.035 0.000 1.236 204 L HN 0.087 nan 8.230 nan 0.000 0.415 205 V N 3.640 123.126 119.914 -0.713 0.000 2.572 205 V HA 0.139 4.270 4.120 0.017 0.000 0.291 205 V C 0.717 176.344 176.094 -0.778 0.000 1.039 205 V CA -0.248 61.483 62.300 -0.949 0.000 1.055 205 V CB 0.787 31.508 31.823 -1.836 0.000 0.969 205 V HN 0.668 nan 8.190 nan 0.000 0.482 206 R N 4.038 124.148 120.500 -0.651 0.000 2.248 206 R HA 0.307 4.657 4.340 0.017 0.000 0.328 206 R C 0.992 177.088 176.300 -0.340 0.000 1.067 206 R CA -0.240 55.371 56.100 -0.816 0.000 0.924 206 R CB 0.528 30.059 30.300 -1.282 0.000 1.013 206 R HN 0.668 nan 8.270 nan 0.000 0.454 207 I N 2.442 122.880 120.570 -0.221 0.000 2.286 207 I HA -0.326 3.855 4.170 0.017 0.000 0.248 207 I C 1.858 178.083 176.117 0.180 0.000 1.115 207 I CA 1.322 62.706 61.300 0.140 0.000 1.392 207 I CB -0.206 37.894 38.000 0.167 0.000 1.065 207 I HN 0.672 nan 8.210 nan 0.000 0.418 208 D N 0.299 120.730 120.400 0.051 0.000 2.117 208 D HA -0.250 4.400 4.640 0.017 0.000 0.197 208 D C 1.873 178.392 176.300 0.365 0.000 0.987 208 D CA 1.228 55.327 54.000 0.165 0.000 0.829 208 D CB -0.808 40.053 40.800 0.101 0.000 0.961 208 D HN 0.322 nan 8.370 nan 0.000 0.460 209 W N 0.441 121.799 121.300 0.095 0.000 2.355 209 W HA -0.029 4.643 4.660 0.020 0.000 0.309 209 W C 2.235 178.915 176.519 0.269 0.000 1.206 209 W CA -0.230 57.167 57.345 0.087 0.000 1.284 209 W CB -1.581 27.864 29.460 -0.024 0.000 1.145 209 W HN 0.139 nan 8.180 nan 0.000 0.502 210 W N 1.441 122.935 121.300 0.324 0.000 2.355 210 W HA -0.177 4.493 4.660 0.016 0.000 0.309 210 W C 2.426 179.121 176.519 0.294 0.000 1.206 210 W CA 2.176 59.690 57.345 0.281 0.000 1.284 210 W CB -0.822 28.712 29.460 0.122 0.000 1.145 210 W HN -0.125 nan 8.180 nan 0.000 0.502 211 K N -1.257 119.346 120.400 0.338 0.000 2.057 211 K HA -0.277 4.054 4.320 0.017 0.000 0.207 211 K C 2.235 178.964 176.600 0.216 0.000 1.049 211 K CA 1.748 58.197 56.287 0.271 0.000 0.931 211 K CB -0.864 31.767 32.500 0.219 0.000 0.714 211 K HN 0.153 nan 8.250 nan 0.000 0.440 212 Y N 0.123 120.523 120.300 0.167 0.000 2.114 212 Y HA -0.287 4.274 4.550 0.017 0.000 0.284 212 Y C 2.102 178.056 175.900 0.089 0.000 1.143 212 Y CA 2.095 60.259 58.100 0.106 0.000 1.135 212 Y CB -0.654 37.881 38.460 0.125 0.000 0.980 212 Y HN 0.309 nan 8.280 nan 0.000 0.499 213 W N 0.194 121.642 121.300 0.246 0.000 2.317 213 W HA -0.292 4.379 4.660 0.018 0.000 0.318 213 W C 1.829 178.372 176.519 0.040 0.000 1.227 213 W CA 2.099 59.515 57.345 0.118 0.000 1.269 213 W CB -1.360 28.194 29.460 0.156 0.000 1.155 213 W HN 0.118 nan 8.180 nan 0.000 0.484 214 F N 0.738 120.400 119.950 -0.481 0.000 2.128 214 F HA -0.136 4.402 4.527 0.017 0.000 0.295 214 F C 2.672 177.770 175.800 -1.170 0.000 1.100 214 F CA 2.350 59.783 58.000 -0.946 0.000 1.260 214 F CB -1.217 36.957 39.000 -1.378 0.000 1.009 214 F HN -0.242 nan 8.300 nan 0.000 0.476 215 T N -0.299 113.768 114.554 -0.810 0.000 2.777 215 T HA -0.122 4.238 4.350 0.017 0.000 0.266 215 T C 1.639 176.020 174.700 -0.533 0.000 1.040 215 T CA 1.454 62.954 62.100 -0.999 0.000 1.141 215 T CB -0.203 68.444 68.868 -0.368 0.000 0.868 215 T HN 0.111 nan 8.240 nan 0.000 0.444 216 N N 0.659 119.138 118.700 -0.367 0.000 2.392 216 N HA 0.046 4.797 4.740 0.017 0.000 0.177 216 N C 0.109 175.539 175.510 -0.133 0.000 1.066 216 N CA 0.167 53.042 53.050 -0.291 0.000 0.895 216 N CB 0.061 38.246 38.487 -0.502 0.000 0.988 216 N HN 0.497 nan 8.380 nan 0.000 0.457 217 E N 0.153 120.292 120.200 -0.103 0.000 2.269 217 E HA -0.181 4.180 4.350 0.017 0.000 0.223 217 E C -0.676 175.931 176.600 0.011 0.000 1.244 217 E CA 0.337 56.728 56.400 -0.015 0.000 0.713 217 E CB -1.205 28.506 29.700 0.018 0.000 1.178 217 E HN 0.127 nan 8.360 nan 0.000 0.370 218 S N -1.051 114.624 115.700 -0.042 0.000 2.688 218 S HA 0.721 5.201 4.470 0.017 0.000 0.275 218 S C -1.453 173.004 174.600 -0.239 0.000 1.175 218 S CA -0.879 57.239 58.200 -0.135 0.000 0.818 218 S CB 0.905 64.174 63.200 0.115 0.000 1.157 218 S HN 0.167 nan 8.310 nan 0.000 0.482 219 F N 2.476 122.500 119.950 0.123 0.000 2.420 219 F HA 0.444 4.981 4.527 0.017 0.000 0.342 219 F C -1.676 173.766 175.800 -0.596 0.000 1.113 219 F CA -2.160 55.612 58.000 -0.379 0.000 1.059 219 F CB 1.029 39.774 39.000 -0.425 0.000 1.128 219 F HN 0.275 nan 8.300 nan 0.000 0.475 220 P HA -0.011 nan 4.420 nan 0.000 0.246 220 P C 0.547 177.540 177.300 -0.511 0.000 1.686 220 P CA 0.314 62.759 63.100 -1.091 0.000 0.867 220 P CB -0.552 30.682 31.700 -0.776 0.000 1.733 221 Y N 0.534 120.693 120.300 -0.235 0.000 2.193 221 Y HA -0.242 4.317 4.550 0.015 0.000 0.285 221 Y C 2.549 178.468 175.900 0.032 0.000 1.166 221 Y CA 1.709 59.800 58.100 -0.015 0.000 1.181 221 Y CB -1.049 37.422 38.460 0.019 0.000 0.976 221 Y HN 0.292 nan 8.280 nan 0.000 0.520 222 H N -0.845 118.313 119.070 0.147 0.000 2.489 222 H HA -0.044 4.524 4.556 0.019 0.000 0.293 222 H C 1.708 177.140 175.328 0.172 0.000 1.066 222 H CA 1.077 57.219 56.048 0.158 0.000 1.305 222 H CB -0.442 29.420 29.762 0.168 0.000 1.386 222 H HN 0.345 nan 8.280 nan 0.000 0.551 223 L N -0.590 120.787 121.223 0.257 0.000 2.653 223 L HA 0.219 4.569 4.340 0.017 0.000 0.231 223 L C 1.329 178.511 176.870 0.521 0.000 1.153 223 L CA 0.400 55.467 54.840 0.378 0.000 0.933 223 L CB 0.320 42.662 42.059 0.473 0.000 1.175 223 L HN 0.365 nan 8.230 nan 0.000 0.473 224 G N -0.739 108.281 108.800 0.366 0.000 2.176 224 G HA2 -0.322 3.649 3.960 0.017 0.000 0.253 224 G HA3 -0.322 3.649 3.960 0.017 0.000 0.253 224 G C -0.015 175.036 174.900 0.251 0.000 0.979 224 G CA -0.136 45.190 45.100 0.377 0.000 0.641 224 G HN 0.399 nan 8.290 nan 0.000 0.530 225 W N 2.567 123.620 121.300 -0.413 0.000 2.158 225 W HA 0.568 5.236 4.660 0.014 0.000 0.339 225 W C 0.693 176.872 176.519 -0.567 0.000 1.294 225 W CA 0.943 57.636 57.345 -1.086 0.000 1.231 225 W CB 0.393 28.818 29.460 -1.726 0.000 1.143 225 W HN 0.587 nan 8.180 nan 0.000 0.571 226 H N 1.910 120.052 119.070 -1.546 0.000 3.008 226 H HA 0.574 5.140 4.556 0.016 0.000 0.354 226 H C -2.839 171.001 175.328 -2.479 0.000 1.252 226 H CA -2.873 52.092 56.048 -1.804 0.000 1.117 226 H CB 0.753 29.823 29.762 -1.154 0.000 1.857 226 H HN 0.069 nan 8.280 nan 0.000 0.547 227 P HA 0.063 nan 4.420 nan 0.000 0.262 227 P C -2.476 174.382 177.300 -0.736 0.000 1.182 227 P CA -0.529 61.987 63.100 -0.973 0.000 0.761 227 P CB -0.147 31.258 31.700 -0.493 0.000 0.795 228 P HA -0.002 nan 4.420 nan 0.000 0.264 228 P C -0.282 176.823 177.300 -0.326 0.000 1.183 228 P CA 0.738 63.556 63.100 -0.469 0.000 0.763 228 P CB 0.424 31.969 31.700 -0.258 0.000 0.807 229 S N 2.776 118.302 115.700 -0.289 0.000 2.672 229 S HA 0.548 5.029 4.470 0.017 0.000 0.291 229 S C -2.418 172.115 174.600 -0.111 0.000 1.145 229 S CA -1.331 56.782 58.200 -0.146 0.000 1.013 229 S CB 0.178 63.362 63.200 -0.027 0.000 1.017 229 S HN 0.247 nan 8.310 nan 0.000 0.487 230 P HA 0.361 nan 4.420 nan 0.000 0.271 230 P C -0.320 176.919 177.300 -0.100 0.000 1.233 230 P CA -0.522 62.529 63.100 -0.081 0.000 0.789 230 P CB 0.195 31.863 31.700 -0.053 0.000 0.951 231 A N 2.467 125.233 122.820 -0.091 0.000 2.565 231 A HA 0.046 4.377 4.320 0.017 0.000 0.237 231 A C 0.764 178.302 177.584 -0.076 0.000 1.053 231 A CA -0.110 51.873 52.037 -0.089 0.000 0.755 231 A CB -0.186 18.775 19.000 -0.065 0.000 0.980 231 A HN 0.406 nan 8.150 nan 0.000 0.506 232 R N 1.857 122.300 120.500 -0.096 0.000 2.623 232 R HA 0.174 4.525 4.340 0.017 0.000 0.271 232 R C 0.006 176.308 176.300 0.003 0.000 1.043 232 R CA 0.200 56.242 56.100 -0.096 0.000 1.083 232 R CB 0.253 30.464 30.300 -0.149 0.000 0.974 232 R HN 0.758 nan 8.270 nan 0.000 0.436 233 E N 1.334 121.574 120.200 0.066 0.000 2.249 233 E HA 0.105 4.466 4.350 0.017 0.000 0.263 233 E C 1.141 177.846 176.600 0.176 0.000 0.950 233 E CA -0.922 55.540 56.400 0.102 0.000 0.827 233 E CB 1.428 31.180 29.700 0.087 0.000 1.220 233 E HN 0.282 nan 8.360 nan 0.000 0.411 234 I N 1.598 122.259 120.570 0.152 0.000 2.335 234 I HA -0.279 3.901 4.170 0.017 0.000 0.251 234 I C 1.611 177.832 176.117 0.173 0.000 1.129 234 I CA 1.724 63.130 61.300 0.175 0.000 1.402 234 I CB -0.094 37.984 38.000 0.130 0.000 1.069 234 I HN 0.465 nan 8.210 nan 0.000 0.424 235 E N -0.187 120.101 120.200 0.148 0.000 2.085 235 E HA -0.275 4.085 4.350 0.017 0.000 0.194 235 E C 2.033 178.722 176.600 0.148 0.000 0.994 235 E CA 1.785 58.257 56.400 0.119 0.000 0.801 235 E CB -0.626 29.133 29.700 0.099 0.000 0.743 235 E HN 0.578 nan 8.360 nan 0.000 0.453 236 F N 0.419 120.417 119.950 0.081 0.000 2.095 236 F HA -0.237 4.301 4.527 0.018 0.000 0.298 236 F C 2.009 177.881 175.800 0.121 0.000 1.104 236 F CA 1.140 59.201 58.000 0.102 0.000 1.232 236 F CB -0.298 38.777 39.000 0.125 0.000 0.987 236 F HN -0.133 nan 8.300 nan 0.000 0.475 237 V N 0.248 120.415 119.914 0.422 0.000 2.261 237 V HA -0.326 3.804 4.120 0.017 0.000 0.246 237 V C 2.618 178.780 176.094 0.114 0.000 1.047 237 V CA 2.478 64.989 62.300 0.351 0.000 1.015 237 V CB -1.343 30.730 31.823 0.416 0.000 0.642 237 V HN 0.628 nan 8.190 nan 0.000 0.446 238 T N -3.038 111.555 114.554 0.066 0.000 2.951 238 T HA -0.160 4.201 4.350 0.017 0.000 0.268 238 T C 2.032 176.681 174.700 -0.084 0.000 1.073 238 T CA 1.580 63.673 62.100 -0.011 0.000 1.134 238 T CB -0.310 68.557 68.868 -0.000 0.000 0.884 238 T HN 0.375 nan 8.240 nan 0.000 0.479 239 S N 1.443 117.075 115.700 -0.113 0.000 2.355 239 S HA 0.054 4.535 4.470 0.017 0.000 0.222 239 S C 2.498 176.889 174.600 -0.348 0.000 1.031 239 S CA 1.220 59.296 58.200 -0.207 0.000 0.993 239 S CB -0.971 62.108 63.200 -0.201 0.000 0.859 239 S HN 0.733 nan 8.310 nan 0.000 0.453 240 A N 0.678 123.279 122.820 -0.366 0.000 1.908 240 A HA -0.074 4.256 4.320 0.017 0.000 0.218 240 A C 2.436 179.797 177.584 -0.371 0.000 1.181 240 A CA 2.244 54.020 52.037 -0.434 0.000 0.627 240 A CB -1.501 17.385 19.000 -0.189 0.000 0.818 240 A HN 0.627 nan 8.150 nan 0.000 0.445 241 S N -0.650 114.950 115.700 -0.167 0.000 2.359 241 S HA -0.184 4.297 4.470 0.017 0.000 0.224 241 S C 2.355 176.862 174.600 -0.156 0.000 1.035 241 S CA 2.166 60.308 58.200 -0.097 0.000 1.018 241 S CB -0.516 62.651 63.200 -0.056 0.000 0.876 241 S HN 0.656 nan 8.310 nan 0.000 0.448 242 S N 0.497 116.079 115.700 -0.196 0.000 2.382 242 S HA 0.031 4.511 4.470 0.017 0.000 0.228 242 S C 2.057 176.492 174.600 -0.275 0.000 1.027 242 S CA 1.386 59.471 58.200 -0.192 0.000 0.991 242 S CB -0.750 62.349 63.200 -0.168 0.000 0.823 242 S HN 0.700 nan 8.310 nan 0.000 0.469 243 A N 0.723 123.252 122.820 -0.485 0.000 1.930 243 A HA 0.047 4.378 4.320 0.017 0.000 0.217 243 A C 2.308 179.565 177.584 -0.546 0.000 1.175 243 A CA 1.544 53.160 52.037 -0.702 0.000 0.627 243 A CB -0.931 17.188 19.000 -1.468 0.000 0.815 243 A HN 0.441 nan 8.150 nan 0.000 0.443 244 V N 0.202 119.859 119.914 -0.429 0.000 2.255 244 V HA -0.267 3.863 4.120 0.017 0.000 0.247 244 V C 2.501 178.572 176.094 -0.037 0.000 1.051 244 V CA 2.116 64.365 62.300 -0.086 0.000 1.018 244 V CB -0.710 31.153 31.823 0.066 0.000 0.641 244 V HN 0.590 nan 8.190 nan 0.000 0.445 245 L N -0.157 121.028 121.223 -0.064 0.000 2.291 245 L HA -0.007 4.343 4.340 0.017 0.000 0.214 245 L C 2.421 179.261 176.870 -0.049 0.000 1.120 245 L CA 1.045 55.864 54.840 -0.036 0.000 0.799 245 L CB -0.583 41.453 42.059 -0.038 0.000 0.925 245 L HN 0.352 nan 8.230 nan 0.000 0.446 246 A N 0.133 122.901 122.820 -0.087 0.000 2.123 246 A HA 0.329 4.660 4.320 0.017 0.000 0.214 246 A C 1.368 178.923 177.584 -0.049 0.000 1.152 246 A CA 0.440 52.431 52.037 -0.076 0.000 0.728 246 A CB -0.267 18.668 19.000 -0.109 0.000 0.814 246 A HN 0.259 nan 8.150 nan 0.000 0.464 247 A N 0.177 122.976 122.820 -0.034 0.000 2.445 247 A HA 0.465 4.796 4.320 0.017 0.000 0.242 247 A C 0.713 178.308 177.584 0.018 0.000 1.075 247 A CA 0.327 52.370 52.037 0.010 0.000 0.777 247 A CB -0.031 19.004 19.000 0.059 0.000 1.013 247 A HN 0.470 nan 8.150 nan 0.000 0.493 248 S N 0.989 116.702 115.700 0.023 0.000 2.549 248 S HA 0.351 4.832 4.470 0.017 0.000 0.279 248 S C -0.116 174.500 174.600 0.026 0.000 1.321 248 S CA -0.506 57.706 58.200 0.019 0.000 1.054 248 S CB 0.007 63.217 63.200 0.016 0.000 0.899 248 S HN 0.691 nan 8.310 nan 0.000 0.497 249 V N 5.735 125.660 119.914 0.019 0.000 2.385 249 V HA 0.254 4.384 4.120 0.017 0.000 0.269 249 V C 1.406 177.510 176.094 0.016 0.000 1.043 249 V CA 0.002 62.314 62.300 0.020 0.000 0.906 249 V CB 0.733 32.565 31.823 0.015 0.000 0.995 249 V HN 1.101 nan 8.190 nan 0.000 0.467 250 T N -0.251 114.314 114.554 0.019 0.000 3.044 250 T HA 0.125 4.485 4.350 0.017 0.000 0.250 250 T C 0.727 175.434 174.700 0.011 0.000 1.081 250 T CA 0.368 62.477 62.100 0.015 0.000 1.040 250 T CB 0.358 69.237 68.868 0.019 0.000 0.962 250 T HN 0.543 nan 8.240 nan 0.000 0.506 251 S N 1.093 116.799 115.700 0.011 0.000 2.776 251 S HA 0.486 4.966 4.470 0.017 0.000 0.284 251 S C -1.012 173.591 174.600 0.005 0.000 1.160 251 S CA -0.548 57.656 58.200 0.007 0.000 1.051 251 S CB 1.194 64.398 63.200 0.007 0.000 1.037 251 S HN 0.297 nan 8.310 nan 0.000 0.485 252 T N 6.836 121.390 114.554 -0.000 0.000 2.733 252 T HA 0.517 4.878 4.350 0.017 0.000 0.294 252 T C -2.387 172.307 174.700 -0.010 0.000 0.956 252 T CA -0.809 61.288 62.100 -0.004 0.000 0.987 252 T CB 0.937 69.801 68.868 -0.007 0.000 0.920 252 T HN 0.476 nan 8.240 nan 0.000 0.470 253 P HA 0.375 nan 4.420 nan 0.000 0.274 253 P C -0.255 177.027 177.300 -0.029 0.000 1.237 253 P CA -0.535 62.553 63.100 -0.020 0.000 0.793 253 P CB 0.571 32.258 31.700 -0.021 0.000 0.977 254 S N -0.056 115.624 115.700 -0.034 0.000 2.645 254 S HA 0.253 4.733 4.470 0.017 0.000 0.266 254 S C 0.328 174.891 174.600 -0.061 0.000 1.258 254 S CA -0.214 57.961 58.200 -0.041 0.000 0.990 254 S CB 0.136 63.315 63.200 -0.035 0.000 0.967 254 S HN 0.533 nan 8.310 nan 0.000 0.556 255 S N -0.458 115.202 115.700 -0.067 0.000 3.561 255 S HA -0.145 4.335 4.470 0.017 0.000 0.318 255 S C -0.033 174.486 174.600 -0.135 0.000 1.181 255 S CA 0.226 58.368 58.200 -0.097 0.000 0.916 255 S CB -1.831 61.304 63.200 -0.109 0.000 0.966 255 S HN 0.544 nan 8.310 nan 0.000 0.550 256 L N 2.408 123.572 121.223 -0.098 0.000 2.397 256 L HA 0.322 4.673 4.340 0.017 0.000 0.271 256 L C -1.102 175.726 176.870 -0.070 0.000 1.148 256 L CA -1.666 53.117 54.840 -0.095 0.000 0.825 256 L CB 0.127 42.153 42.059 -0.055 0.000 1.117 256 L HN 0.063 nan 8.230 nan 0.000 0.456 257 P HA 0.003 nan 4.420 nan 0.000 0.272 257 P C -0.433 176.883 177.300 0.026 0.000 1.230 257 P CA -0.430 62.695 63.100 0.042 0.000 0.788 257 P CB 0.831 32.663 31.700 0.219 0.000 0.949 258 S N 0.296 116.012 115.700 0.027 0.000 2.546 258 S HA 0.313 4.793 4.470 0.017 0.000 0.290 258 S C 1.413 176.016 174.600 0.006 0.000 1.290 258 S CA 0.940 59.145 58.200 0.010 0.000 1.069 258 S CB -1.375 61.830 63.200 0.008 0.000 0.846 258 S HN 0.918 nan 8.310 nan 0.000 0.495 259 G N 3.298 112.096 108.800 -0.003 0.000 2.148 259 G HA2 -0.259 3.711 3.960 0.017 0.000 0.254 259 G HA3 -0.259 3.711 3.960 0.017 0.000 0.254 259 G C 0.963 175.857 174.900 -0.010 0.000 0.981 259 G CA 0.488 45.583 45.100 -0.009 0.000 0.670 259 G HN 1.347 nan 8.290 nan 0.000 0.528 260 A N -0.468 122.348 122.820 -0.007 0.000 1.883 260 A HA 0.265 4.595 4.320 0.017 0.000 0.217 260 A C 1.398 178.974 177.584 -0.014 0.000 1.186 260 A CA 1.424 53.453 52.037 -0.013 0.000 0.624 260 A CB -0.141 18.849 19.000 -0.017 0.000 0.822 260 A HN 0.915 nan 8.150 nan 0.000 0.444 261 I N -0.300 120.263 120.570 -0.011 0.000 2.416 261 I HA 0.496 4.677 4.170 0.017 0.000 0.288 261 I C 0.813 176.923 176.117 -0.012 0.000 1.051 261 I CA 0.732 62.027 61.300 -0.009 0.000 1.375 261 I CB 0.635 38.631 38.000 -0.007 0.000 1.407 261 I HN 0.538 nan 8.210 nan 0.000 0.516 262 G N 6.389 115.181 108.800 -0.014 0.000 2.371 262 G HA2 -0.017 3.953 3.960 0.017 0.000 0.663 262 G HA3 -0.017 3.953 3.960 0.017 0.000 0.663 262 G C -3.203 171.682 174.900 -0.026 0.000 1.311 262 G CA -1.248 43.840 45.100 -0.020 0.000 0.985 262 G HN 0.365 nan 8.290 nan 0.000 0.566 263 P HA 0.465 nan 4.420 nan 0.000 0.270 263 P C 0.560 177.838 177.300 -0.038 0.000 1.223 263 P CA 0.776 63.851 63.100 -0.041 0.000 0.785 263 P CB 0.839 32.513 31.700 -0.043 0.000 0.923 264 G N 0.027 108.801 108.800 -0.042 0.000 2.473 264 G HA2 0.594 4.564 3.960 0.017 0.000 0.321 264 G HA3 0.594 4.564 3.960 0.017 0.000 0.321 264 G C -0.923 173.948 174.900 -0.048 0.000 1.200 264 G CA -0.660 44.414 45.100 -0.042 0.000 0.963 264 G HN 0.588 nan 8.290 nan 0.000 0.483 265 A N 0.272 123.062 122.820 -0.051 0.000 2.425 265 A HA 0.452 4.782 4.320 0.017 0.000 0.242 265 A C 0.586 178.136 177.584 -0.057 0.000 1.077 265 A CA -0.192 51.812 52.037 -0.054 0.000 0.781 265 A CB 0.252 19.216 19.000 -0.059 0.000 1.020 265 A HN 0.736 nan 8.150 nan 0.000 0.494 266 E N 1.013 121.181 120.200 -0.054 0.000 2.415 266 E HA 0.356 4.716 4.350 0.017 0.000 0.263 266 E C 0.368 176.931 176.600 -0.061 0.000 0.995 266 E CA -0.058 56.310 56.400 -0.052 0.000 0.915 266 E CB 0.483 30.157 29.700 -0.044 0.000 0.951 266 E HN 0.779 nan 8.360 nan 0.000 0.449 267 A N 3.797 126.579 122.820 -0.064 0.000 2.477 267 A HA 0.356 4.686 4.320 0.017 0.000 0.246 267 A C -0.116 177.423 177.584 -0.074 0.000 1.078 267 A CA -0.150 51.840 52.037 -0.078 0.000 0.770 267 A CB 0.175 19.127 19.000 -0.080 0.000 1.011 267 A HN 0.526 nan 8.150 nan 0.000 0.494 268 V N -0.290 119.568 119.914 -0.093 0.000 3.160 268 V HA 0.751 4.881 4.120 0.017 0.000 0.310 268 V C -2.984 173.045 176.094 -0.108 0.000 1.181 268 V CA -2.679 59.570 62.300 -0.086 0.000 1.047 268 V CB 1.184 32.958 31.823 -0.082 0.000 1.068 268 V HN 0.664 nan 8.190 nan 0.000 0.441 269 P HA 0.267 nan 4.420 nan 0.000 0.264 269 P C -0.382 176.832 177.300 -0.144 0.000 1.183 269 P CA 0.173 63.217 63.100 -0.092 0.000 0.763 269 P CB 0.207 31.874 31.700 -0.054 0.000 0.807 270 L N 1.735 122.857 121.223 -0.168 0.000 2.453 270 L HA 0.419 4.769 4.340 0.017 0.000 0.261 270 L C 0.870 177.534 176.870 -0.345 0.000 1.179 270 L CA 0.357 55.020 54.840 -0.295 0.000 0.813 270 L CB 0.563 42.478 42.059 -0.240 0.000 1.110 270 L HN 0.383 nan 8.230 nan 0.000 0.466 271 S N 0.845 116.162 115.700 -0.639 0.000 2.536 271 S HA 0.731 5.211 4.470 0.017 0.000 0.271 271 S C -1.308 172.767 174.600 -0.876 0.000 1.134 271 S CA -0.530 57.362 58.200 -0.513 0.000 0.897 271 S CB 0.811 63.852 63.200 -0.264 0.000 1.094 271 S HN 0.302 nan 8.310 nan 0.000 0.473 272 F N 1.924 121.770 119.950 -0.175 0.000 2.565 272 F HA 0.736 5.272 4.527 0.015 0.000 0.313 272 F C 0.556 176.268 175.800 -0.146 0.000 1.091 272 F CA -0.840 56.992 58.000 -0.279 0.000 0.915 272 F CB 1.761 40.363 39.000 -0.664 0.000 1.208 272 F HN 0.716 nan 8.300 nan 0.000 0.453 273 A N 1.129 123.981 122.820 0.053 0.000 2.462 273 A HA 0.344 4.674 4.320 0.017 0.000 0.243 273 A C 1.034 178.671 177.584 0.089 0.000 1.076 273 A CA -0.085 51.981 52.037 0.048 0.000 0.773 273 A CB 0.154 19.172 19.000 0.029 0.000 1.010 273 A HN 0.869 nan 8.150 nan 0.000 0.493 274 S N 0.626 116.371 115.700 0.075 0.000 2.419 274 S HA -0.140 4.341 4.470 0.017 0.000 0.233 274 S C 1.988 176.633 174.600 0.075 0.000 1.016 274 S CA 1.892 60.142 58.200 0.083 0.000 0.974 274 S CB -0.315 62.921 63.200 0.060 0.000 0.786 274 S HN 1.037 nan 8.310 nan 0.000 0.492 275 T N -0.930 113.659 114.554 0.058 0.000 3.088 275 T HA 0.223 4.584 4.350 0.017 0.000 0.259 275 T C 0.570 175.300 174.700 0.049 0.000 1.122 275 T CA 0.060 62.187 62.100 0.044 0.000 1.095 275 T CB -0.311 68.575 68.868 0.029 0.000 0.930 275 T HN 0.254 nan 8.240 nan 0.000 0.508 276 M N 4.454 124.104 119.600 0.083 0.000 2.194 276 M HA 0.220 4.710 4.480 0.017 0.000 0.347 276 M C -0.060 176.319 176.300 0.131 0.000 1.439 276 M CA -0.329 55.032 55.300 0.103 0.000 1.131 276 M CB 0.537 33.218 32.600 0.135 0.000 1.733 276 M HN 0.329 nan 8.290 nan 0.000 0.467 277 T N 4.550 119.108 114.554 0.006 0.000 2.884 277 T HA 0.517 4.878 4.350 0.017 0.000 0.298 277 T C -2.420 172.166 174.700 -0.190 0.000 0.998 277 T CA -1.438 60.612 62.100 -0.084 0.000 1.124 277 T CB 0.350 69.152 68.868 -0.110 0.000 0.931 277 T HN 0.495 nan 8.240 nan 0.000 0.531 278 P HA 0.262 nan 4.420 nan 0.000 0.274 278 P C -0.476 176.605 177.300 -0.364 0.000 1.231 278 P CA -0.674 62.088 63.100 -0.563 0.000 0.790 278 P CB 0.348 31.549 31.700 -0.832 0.000 0.951 279 F N 0.548 120.371 119.950 -0.211 0.000 2.553 279 F HA 0.068 4.605 4.527 0.016 0.000 0.356 279 F C 1.411 177.038 175.800 -0.287 0.000 1.142 279 F CA 0.042 57.907 58.000 -0.225 0.000 1.322 279 F CB -0.213 38.575 39.000 -0.354 0.000 1.126 279 F HN 0.095 nan 8.300 nan 0.000 0.599 280 L N 3.966 125.134 121.223 -0.091 0.000 2.540 280 L HA 0.001 4.351 4.340 0.017 0.000 0.276 280 L C -0.096 176.632 176.870 -0.237 0.000 1.212 280 L CA -0.001 54.733 54.840 -0.177 0.000 0.893 280 L CB 0.027 41.989 42.059 -0.162 0.000 1.138 280 L HN 0.410 nan 8.230 nan 0.000 0.491 281 L N 3.569 124.736 121.223 -0.093 0.000 2.397 281 L HA 0.314 4.664 4.340 0.017 0.000 0.271 281 L C 0.784 177.732 176.870 0.130 0.000 1.148 281 L CA -0.346 54.486 54.840 -0.013 0.000 0.825 281 L CB 0.839 42.888 42.059 -0.016 0.000 1.117 281 L HN 0.714 nan 8.230 nan 0.000 0.456 282 A N 1.526 124.484 122.820 0.230 0.000 2.540 282 A HA 0.228 4.559 4.320 0.017 0.000 0.239 282 A C 1.014 178.693 177.584 0.158 0.000 1.061 282 A CA 0.276 52.494 52.037 0.301 0.000 0.758 282 A CB -0.008 19.128 19.000 0.228 0.000 0.991 282 A HN 0.878 nan 8.150 nan 0.000 0.502 283 T N 0.244 114.878 114.554 0.133 0.000 3.105 283 T HA 0.099 4.459 4.350 0.017 0.000 0.253 283 T C 0.430 175.158 174.700 0.046 0.000 1.047 283 T CA -0.326 61.819 62.100 0.075 0.000 0.944 283 T CB -0.532 68.375 68.868 0.065 0.000 1.016 283 T HN 0.645 nan 8.240 nan 0.000 0.544 284 N N 2.454 121.180 118.700 0.044 0.000 2.407 284 N HA 0.301 5.051 4.740 0.017 0.000 0.250 284 N C 0.431 175.966 175.510 0.042 0.000 1.236 284 N CA 0.084 53.153 53.050 0.032 0.000 0.879 284 N CB 0.631 39.134 38.487 0.027 0.000 1.088 284 N HN 0.507 nan 8.380 nan 0.000 0.450 285 A N 3.462 126.307 122.820 0.042 0.000 2.507 285 A HA 0.130 4.460 4.320 0.017 0.000 0.235 285 A C -1.816 175.817 177.584 0.083 0.000 1.070 285 A CA -0.770 51.301 52.037 0.056 0.000 0.768 285 A CB -0.360 18.675 19.000 0.060 0.000 1.011 285 A HN 0.468 nan 8.150 nan 0.000 0.502 286 P HA 0.060 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 0.247 63.421 63.100 0.124 0.000 0.771 286 P CB 0.227 31.979 31.700 0.086 0.000 0.864 287 Y N 5.326 125.670 120.300 0.073 0.000 2.497 287 Y HA 0.225 4.784 4.550 0.016 0.000 0.334 287 Y C -0.479 175.507 175.900 0.144 0.000 1.199 287 Y CA 0.176 58.307 58.100 0.051 0.000 1.425 287 Y CB 0.230 38.717 38.460 0.045 0.000 1.291 287 Y HN 0.450 nan 8.280 nan 0.000 0.562 288 Y N 2.824 122.608 120.300 -0.860 0.000 2.534 288 Y HA 0.795 5.356 4.550 0.017 0.000 0.345 288 Y C -0.892 174.414 175.900 -0.991 0.000 1.031 288 Y CA -1.762 55.849 58.100 -0.815 0.000 1.022 288 Y CB 0.390 38.678 38.460 -0.287 0.000 1.292 288 Y HN 0.862 nan 8.280 nan 0.000 0.459 289 A N 2.515 124.987 122.820 -0.580 0.000 2.511 289 A HA 0.298 4.629 4.320 0.017 0.000 0.242 289 A C 0.247 177.713 177.584 -0.197 0.000 1.069 289 A CA -0.075 51.751 52.037 -0.351 0.000 0.763 289 A CB 0.221 19.096 19.000 -0.208 0.000 1.001 289 A HN 0.962 nan 8.150 nan 0.000 0.498 290 Q N -0.037 119.657 119.800 -0.176 0.000 2.157 290 Q HA 0.093 4.444 4.340 0.017 0.000 0.235 290 Q C -0.843 175.126 176.000 -0.051 0.000 0.803 290 Q CA 0.057 55.794 55.803 -0.110 0.000 0.967 290 Q CB 0.881 29.507 28.738 -0.187 0.000 1.150 290 Q HN 0.822 nan 8.270 nan 0.000 0.482 291 D N 2.029 122.403 120.400 -0.042 0.000 2.513 291 D HA 0.187 4.837 4.640 0.017 0.000 0.295 291 D C -2.201 174.082 176.300 -0.027 0.000 1.202 291 D CA -1.361 52.627 54.000 -0.021 0.000 0.849 291 D CB 0.922 41.721 40.800 -0.002 0.000 1.116 291 D HN 0.029 nan 8.370 nan 0.000 0.502 292 P HA 0.370 nan 4.420 nan 0.000 0.280 292 P C -0.149 177.120 177.300 -0.051 0.000 1.272 292 P CA -0.492 62.588 63.100 -0.033 0.000 0.819 292 P CB 0.680 32.365 31.700 -0.024 0.000 1.122 293 T N -1.249 113.293 114.554 -0.020 0.000 2.898 293 T HA 0.380 4.740 4.350 0.017 0.000 0.301 293 T C 0.517 175.188 174.700 -0.047 0.000 1.049 293 T CA -0.680 61.420 62.100 0.001 0.000 1.095 293 T CB 0.075 68.980 68.868 0.062 0.000 0.976 293 T HN 0.249 nan 8.240 nan 0.000 0.539 294 L N 1.906 123.066 121.223 -0.106 0.000 2.325 294 L HA 0.611 4.961 4.340 0.017 0.000 0.279 294 L C 1.253 178.085 176.870 -0.064 0.000 1.054 294 L CA -1.110 53.592 54.840 -0.231 0.000 0.804 294 L CB 0.904 42.495 42.059 -0.780 0.000 1.200 294 L HN 0.970 nan 8.230 nan 0.000 0.436 295 G N 1.169 109.962 108.800 -0.012 0.000 2.557 295 G HA2 0.336 4.307 3.960 0.017 0.000 0.292 295 G HA3 0.336 4.307 3.960 0.017 0.000 0.292 295 G C -1.662 173.316 174.900 0.129 0.000 1.237 295 G CA -0.933 44.209 45.100 0.070 0.000 0.978 295 G HN 0.493 nan 8.290 nan 0.000 0.498 296 P HA -0.105 nan 4.420 nan 0.000 0.219 296 P C 0.724 178.136 177.300 0.187 0.000 1.146 296 P CA 1.173 64.364 63.100 0.151 0.000 0.808 296 P CB 0.174 31.929 31.700 0.091 0.000 0.779 297 N N -0.902 117.912 118.700 0.190 0.000 2.270 297 N HA 0.040 4.791 4.740 0.017 0.000 0.198 297 N C 0.115 175.805 175.510 0.300 0.000 1.117 297 N CA -0.261 52.933 53.050 0.241 0.000 0.845 297 N CB 0.136 38.761 38.487 0.230 0.000 0.980 297 N HN 0.128 nan 8.380 nan 0.000 0.486 298 D N 0.000 120.546 120.400 0.244 0.000 6.856 298 D HA 0.000 4.650 4.640 0.017 0.000 0.175 298 D CA 0.000 54.133 54.000 0.221 0.000 0.868 298 D CB 0.000 40.878 40.800 0.130 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683