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 3euo_1_A DATA FIRST_RESID 10 DATA SEQUENCE LGLSITGLGV QYPPYSLGPD AIDILSKRYH PESPAMKKVL AINRYTGIDQ DATA SEQUENCE RSSIGNPDHP LVNKPNPPTV KELHEVFMSD GVPLAVEASR KAMAEARLVP DATA SEQUENCE AQITHMVSTT CTDSANPGYD HYVAKELGLS DRLEKVLLHG IGXSGGLAAL DATA SEQUENCE RTAANLCLGH TARGKPARIL VLALEVSTTM VRSELESIDA LQETRIGIAL DATA SEQUENCE FSDCASAVIL SNGIGEAPGK PAIYDLLGWE NRVIPDSEHD LGFDVDPMGW DATA SEQUENCE KVVLSPRVPV LAKASLQPTY ADLLSSLQDQ LPSSYQKPAD FDWAMHPGGA DATA SEQUENCE TILSGAESAM GLTPEHMRAS YDRYINHGNS SSATIFSVLN RLREKDMDAL DATA SEQUENCE APGGKVKEYV VGCAFGPGIN VEMCMLKRR 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.903 176.870 0.055 0.000 1.165 10 L CA 0.000 54.870 54.840 0.050 0.000 0.813 10 L CB 0.000 42.109 42.059 0.083 0.000 0.961 11 G N 2.090 110.916 108.800 0.043 0.000 2.198 11 G HA2 -0.275 3.708 3.960 0.037 0.000 0.260 11 G HA3 -0.275 3.708 3.960 0.037 0.000 0.260 11 G C -0.077 174.845 174.900 0.037 0.000 1.025 11 G CA 0.508 45.629 45.100 0.035 0.000 0.769 11 G HN 0.205 nan 8.290 nan 0.000 0.507 12 L N 1.240 122.495 121.223 0.053 0.000 2.282 12 L HA 0.685 5.047 4.340 0.037 0.000 0.288 12 L C 0.526 177.419 176.870 0.038 0.000 1.033 12 L CA -0.191 54.677 54.840 0.046 0.000 0.807 12 L CB 1.875 43.985 42.059 0.085 0.000 1.209 12 L HN 0.414 nan 8.230 nan 0.000 0.423 13 S N 3.026 118.734 115.700 0.014 0.000 2.540 13 S HA 0.639 5.131 4.470 0.037 0.000 0.275 13 S C -0.747 173.851 174.600 -0.003 0.000 1.123 13 S CA -0.843 57.367 58.200 0.015 0.000 0.907 13 S CB 1.680 64.883 63.200 0.005 0.000 1.081 13 S HN 0.433 nan 8.310 nan 0.000 0.476 14 I N 3.222 123.804 120.570 0.021 0.000 2.322 14 I HA 0.210 4.402 4.170 0.037 0.000 0.292 14 I C 1.368 177.477 176.117 -0.013 0.000 1.060 14 I CA -0.337 60.963 61.300 0.001 0.000 1.309 14 I CB 1.290 39.329 38.000 0.064 0.000 1.415 14 I HN 1.020 nan 8.210 nan 0.000 0.492 15 T N 1.010 115.540 114.554 -0.040 0.000 3.022 15 T HA 0.333 4.705 4.350 0.037 0.000 0.250 15 T C 0.624 175.294 174.700 -0.050 0.000 1.060 15 T CA -0.152 61.921 62.100 -0.044 0.000 1.013 15 T CB 0.479 69.325 68.868 -0.038 0.000 0.982 15 T HN 0.656 nan 8.240 nan 0.000 0.508 16 G N 0.613 109.380 108.800 -0.056 0.000 2.720 16 G HA2 0.599 4.582 3.960 0.037 0.000 0.295 16 G HA3 0.599 4.582 3.960 0.037 0.000 0.295 16 G C -2.238 172.622 174.900 -0.068 0.000 1.437 16 G CA -0.922 44.145 45.100 -0.055 0.000 0.886 16 G HN 0.247 nan 8.290 nan 0.000 0.509 17 L N 0.049 121.242 121.223 -0.049 0.000 2.409 17 L HA 0.907 5.270 4.340 0.037 0.000 0.262 17 L C 0.405 177.259 176.870 -0.026 0.000 0.992 17 L CA -0.435 54.374 54.840 -0.052 0.000 0.817 17 L CB 2.643 44.698 42.059 -0.008 0.000 1.350 17 L HN 0.952 nan 8.230 nan 0.000 0.411 18 G N 0.662 109.449 108.800 -0.022 0.000 2.667 18 G HA2 0.737 4.719 3.960 0.037 0.000 0.298 18 G HA3 0.737 4.719 3.960 0.037 0.000 0.298 18 G C -2.001 172.895 174.900 -0.007 0.000 1.377 18 G CA -0.588 44.507 45.100 -0.009 0.000 0.964 18 G HN 0.345 nan 8.290 nan 0.000 0.493 19 V N 0.657 120.557 119.914 -0.023 0.000 2.760 19 V HA 0.666 4.808 4.120 0.037 0.000 0.309 19 V C -0.862 175.173 176.094 -0.099 0.000 1.077 19 V CA -0.760 61.489 62.300 -0.087 0.000 0.910 19 V CB 2.035 33.803 31.823 -0.092 0.000 1.008 19 V HN 0.792 nan 8.190 nan 0.000 0.424 20 Q N 2.952 122.647 119.800 -0.175 0.000 2.337 20 Q HA 0.507 4.869 4.340 0.037 0.000 0.260 20 Q C -1.796 174.100 176.000 -0.174 0.000 0.982 20 Q CA -0.314 55.424 55.803 -0.108 0.000 0.734 20 Q CB 1.165 29.871 28.738 -0.054 0.000 1.272 20 Q HN 0.623 nan 8.270 nan 0.000 0.461 21 Y N 4.061 124.346 120.300 -0.025 0.000 2.301 21 Y HA 0.429 5.000 4.550 0.035 0.000 0.328 21 Y C -1.607 174.301 175.900 0.014 0.000 1.242 21 Y CA -1.597 56.500 58.100 -0.006 0.000 1.323 21 Y CB 0.460 38.925 38.460 0.008 0.000 1.266 21 Y HN 0.546 nan 8.280 nan 0.000 0.527 22 P HA 0.097 nan 4.420 nan 0.000 0.274 22 P C -2.256 175.116 177.300 0.120 0.000 1.260 22 P CA -1.306 61.877 63.100 0.139 0.000 0.793 22 P CB 0.419 32.210 31.700 0.152 0.000 1.048 23 P HA -0.030 nan 4.420 nan 0.000 0.221 23 P C -0.167 176.978 177.300 -0.259 0.000 1.150 23 P CA 1.409 64.401 63.100 -0.179 0.000 0.800 23 P CB -0.167 31.283 31.700 -0.417 0.000 0.787 24 Y N -1.208 119.124 120.300 0.053 0.000 2.387 24 Y HA 0.491 5.093 4.550 0.087 0.000 0.330 24 Y C 0.641 176.556 175.900 0.025 0.000 1.133 24 Y CA -0.595 57.527 58.100 0.038 0.000 1.152 24 Y CB 1.338 39.823 38.460 0.042 0.000 1.215 24 Y HN -0.362 nan 8.280 nan 0.000 0.466 25 S N 3.436 119.224 115.700 0.148 0.000 2.707 25 S HA 0.544 5.036 4.470 0.037 0.000 0.303 25 S C -1.048 173.580 174.600 0.046 0.000 1.132 25 S CA -0.740 57.489 58.200 0.049 0.000 1.046 25 S CB 0.356 63.536 63.200 -0.033 0.000 1.004 25 S HN 0.435 nan 8.310 nan 0.000 0.483 26 L N 2.945 124.186 121.223 0.028 0.000 2.296 26 L HA 0.623 4.985 4.340 0.037 0.000 0.286 26 L C 1.054 177.914 176.870 -0.016 0.000 1.023 26 L CA -0.748 54.103 54.840 0.019 0.000 0.812 26 L CB 1.159 43.234 42.059 0.026 0.000 1.223 26 L HN 0.715 nan 8.230 nan 0.000 0.421 27 G N 2.418 111.209 108.800 -0.015 0.000 2.616 27 G HA2 0.279 4.261 3.960 0.037 0.000 0.268 27 G HA3 0.279 4.261 3.960 0.037 0.000 0.268 27 G C -1.516 173.369 174.900 -0.026 0.000 1.213 27 G CA -0.895 44.188 45.100 -0.029 0.000 0.926 27 G HN 0.506 nan 8.290 nan 0.000 0.523 28 P HA -0.092 nan 4.420 nan 0.000 0.225 28 P C 1.012 178.299 177.300 -0.022 0.000 1.148 28 P CA 1.311 64.390 63.100 -0.035 0.000 0.779 28 P CB 0.109 31.783 31.700 -0.045 0.000 0.780 29 D N 0.243 120.635 120.400 -0.015 0.000 2.312 29 D HA -0.082 4.580 4.640 0.037 0.000 0.211 29 D C 1.733 178.036 176.300 0.004 0.000 0.964 29 D CA 0.899 54.895 54.000 -0.006 0.000 0.877 29 D CB -0.667 40.130 40.800 -0.004 0.000 0.924 29 D HN 0.100 nan 8.370 nan 0.000 0.515 30 A N 1.965 124.789 122.820 0.007 0.000 1.865 30 A HA -0.130 4.213 4.320 0.037 0.000 0.217 30 A C 2.505 180.107 177.584 0.029 0.000 1.191 30 A CA 2.071 54.119 52.037 0.018 0.000 0.623 30 A CB -0.970 18.040 19.000 0.017 0.000 0.826 30 A HN 0.483 nan 8.150 nan 0.000 0.444 31 I N -2.972 117.614 120.570 0.026 0.000 2.546 31 I HA -0.109 4.083 4.170 0.037 0.000 0.255 31 I C 1.374 177.516 176.117 0.041 0.000 1.163 31 I CA 1.750 63.075 61.300 0.041 0.000 1.457 31 I CB -0.535 37.486 38.000 0.035 0.000 1.092 31 I HN 0.028 nan 8.210 nan 0.000 0.434 32 D N 2.180 122.593 120.400 0.021 0.000 2.104 32 D HA -0.161 4.502 4.640 0.037 0.000 0.194 32 D C 2.346 178.661 176.300 0.025 0.000 0.994 32 D CA 1.477 55.487 54.000 0.017 0.000 0.830 32 D CB -0.153 40.648 40.800 0.001 0.000 0.959 32 D HN 0.330 nan 8.370 nan 0.000 0.452 33 I N 0.577 121.161 120.570 0.023 0.000 2.163 33 I HA -0.216 3.976 4.170 0.037 0.000 0.243 33 I C 2.570 178.708 176.117 0.035 0.000 1.085 33 I CA 0.942 62.253 61.300 0.018 0.000 1.347 33 I CB -1.088 36.923 38.000 0.018 0.000 1.044 33 I HN 0.075 nan 8.210 nan 0.000 0.408 34 L N -0.258 121.015 121.223 0.082 0.000 2.109 34 L HA -0.157 4.206 4.340 0.037 0.000 0.207 34 L C 2.753 179.747 176.870 0.208 0.000 1.086 34 L CA 1.073 56.015 54.840 0.169 0.000 0.760 34 L CB -0.467 41.703 42.059 0.184 0.000 0.910 34 L HN 0.224 nan 8.230 nan 0.000 0.437 35 S N 0.171 115.965 115.700 0.156 0.000 2.348 35 S HA -0.271 4.222 4.470 0.037 0.000 0.221 35 S C 2.128 176.812 174.600 0.141 0.000 1.033 35 S CA 1.787 60.102 58.200 0.191 0.000 1.010 35 S CB -0.114 63.156 63.200 0.117 0.000 0.891 35 S HN 0.325 nan 8.310 nan 0.000 0.442 36 K N 0.569 121.002 120.400 0.055 0.000 2.097 36 K HA -0.103 4.239 4.320 0.037 0.000 0.206 36 K C 2.490 179.042 176.600 -0.080 0.000 1.049 36 K CA 1.209 57.496 56.287 0.001 0.000 0.933 36 K CB -0.268 32.224 32.500 -0.013 0.000 0.717 36 K HN 0.312 nan 8.250 nan 0.000 0.442 37 R N -0.826 119.581 120.500 -0.154 0.000 2.096 37 R HA -0.155 4.207 4.340 0.037 0.000 0.235 37 R C 1.113 177.012 176.300 -0.667 0.000 1.127 37 R CA 1.747 57.583 56.100 -0.439 0.000 0.968 37 R CB -0.028 29.932 30.300 -0.567 0.000 0.861 37 R HN 0.289 nan 8.270 nan 0.000 0.440 38 Y N -2.262 117.968 120.300 -0.117 0.000 2.430 38 Y HA 0.270 4.816 4.550 -0.007 0.000 0.248 38 Y C -0.347 175.178 175.900 -0.625 0.000 1.108 38 Y CA -0.212 57.684 58.100 -0.340 0.000 1.264 38 Y CB 0.776 39.007 38.460 -0.382 0.000 1.172 38 Y HN 0.046 nan 8.280 nan 0.000 0.520 39 H N -1.206 117.922 119.070 0.096 0.000 2.865 39 H HA 0.384 4.958 4.556 0.029 0.000 0.362 39 H C -2.603 172.743 175.328 0.029 0.000 1.114 39 H CA -2.226 53.862 56.048 0.066 0.000 1.208 39 H CB 1.574 31.378 29.762 0.071 0.000 1.727 39 H HN -0.178 nan 8.280 nan 0.000 0.534 40 P HA 0.031 nan 4.420 nan 0.000 0.270 40 P C -0.534 176.815 177.300 0.082 0.000 1.223 40 P CA -0.370 62.777 63.100 0.078 0.000 0.785 40 P CB 0.687 32.423 31.700 0.061 0.000 0.923 41 E N 0.283 120.513 120.200 0.050 0.000 2.413 41 E HA 0.336 4.708 4.350 0.037 0.000 0.263 41 E C 0.135 176.755 176.600 0.033 0.000 1.015 41 E CA 0.353 56.775 56.400 0.038 0.000 0.916 41 E CB 0.015 29.730 29.700 0.024 0.000 0.947 41 E HN 0.418 nan 8.360 nan 0.000 0.440 42 S N 1.232 116.947 115.700 0.024 0.000 2.607 42 S HA 0.492 4.985 4.470 0.037 0.000 0.273 42 S C -2.319 172.288 174.600 0.011 0.000 1.148 42 S CA -1.517 56.693 58.200 0.017 0.000 0.833 42 S CB 1.768 64.975 63.200 0.012 0.000 1.130 42 S HN 0.116 nan 8.310 nan 0.000 0.470 43 P HA -0.042 nan 4.420 nan 0.000 0.215 43 P C 1.604 178.910 177.300 0.010 0.000 1.157 43 P CA 2.260 65.367 63.100 0.012 0.000 0.874 43 P CB -0.200 31.508 31.700 0.013 0.000 0.790 44 A N -1.284 121.539 122.820 0.005 0.000 1.898 44 A HA -0.191 4.151 4.320 0.037 0.000 0.216 44 A C 2.243 179.824 177.584 -0.005 0.000 1.181 44 A CA 2.014 54.052 52.037 0.002 0.000 0.620 44 A CB -1.405 17.592 19.000 -0.004 0.000 0.819 44 A HN 0.102 nan 8.150 nan 0.000 0.442 45 M N 0.005 119.599 119.600 -0.011 0.000 2.086 45 M HA -0.082 4.420 4.480 0.037 0.000 0.261 45 M C 1.846 178.142 176.300 -0.007 0.000 1.067 45 M CA 1.828 57.120 55.300 -0.013 0.000 1.116 45 M CB -0.441 32.154 32.600 -0.008 0.000 1.348 45 M HN 0.359 nan 8.290 nan 0.000 0.407 46 K N -0.371 120.029 120.400 -0.001 0.000 2.063 46 K HA -0.190 4.152 4.320 0.037 0.000 0.208 46 K C 1.914 178.507 176.600 -0.011 0.000 1.048 46 K CA 1.346 57.631 56.287 -0.003 0.000 0.928 46 K CB -0.168 32.337 32.500 0.007 0.000 0.713 46 K HN 0.199 nan 8.250 nan 0.000 0.442 47 K N 0.597 120.998 120.400 0.001 0.000 2.026 47 K HA -0.109 4.233 4.320 0.037 0.000 0.208 47 K C 2.198 178.785 176.600 -0.022 0.000 1.048 47 K CA 1.071 57.363 56.287 0.008 0.000 0.929 47 K CB -0.819 31.697 32.500 0.027 0.000 0.713 47 K HN 0.001 nan 8.250 nan 0.000 0.439 48 V N 2.086 121.988 119.914 -0.020 0.000 2.287 48 V HA -0.212 3.930 4.120 0.037 0.000 0.248 48 V C 2.472 178.524 176.094 -0.071 0.000 1.053 48 V CA 1.517 63.799 62.300 -0.030 0.000 1.027 48 V CB -0.514 31.303 31.823 -0.010 0.000 0.646 48 V HN 0.194 nan 8.190 nan 0.000 0.447 49 L N -0.124 121.060 121.223 -0.064 0.000 2.191 49 L HA -0.143 4.219 4.340 0.037 0.000 0.212 49 L C 2.665 179.436 176.870 -0.165 0.000 1.103 49 L CA 1.329 56.118 54.840 -0.083 0.000 0.769 49 L CB -0.771 41.261 42.059 -0.045 0.000 0.908 49 L HN 0.383 nan 8.230 nan 0.000 0.438 50 A N 0.511 123.208 122.820 -0.205 0.000 1.872 50 A HA -0.137 4.206 4.320 0.037 0.000 0.214 50 A C 2.180 179.206 177.584 -0.929 0.000 1.187 50 A CA 1.237 53.029 52.037 -0.408 0.000 0.614 50 A CB -0.542 18.339 19.000 -0.199 0.000 0.826 50 A HN 0.301 nan 8.150 nan 0.000 0.442 51 I N 0.204 120.425 120.570 -0.581 0.000 2.286 51 I HA -0.269 3.923 4.170 0.037 0.000 0.248 51 I C 2.297 178.222 176.117 -0.319 0.000 1.115 51 I CA 1.475 62.510 61.300 -0.441 0.000 1.392 51 I CB -0.423 37.548 38.000 -0.049 0.000 1.065 51 I HN 0.412 nan 8.210 nan 0.000 0.418 52 N N 1.412 119.968 118.700 -0.240 0.000 2.247 52 N HA -0.222 4.541 4.740 0.037 0.000 0.189 52 N C 1.694 177.113 175.510 -0.152 0.000 1.009 52 N CA 1.565 54.526 53.050 -0.148 0.000 0.872 52 N CB -0.049 38.372 38.487 -0.110 0.000 0.980 52 N HN 0.263 nan 8.380 nan 0.000 0.436 53 R N -1.557 118.786 120.500 -0.262 0.000 2.334 53 R HA 0.110 4.472 4.340 0.037 0.000 0.216 53 R C 0.399 176.713 176.300 0.025 0.000 0.905 53 R CA 0.073 56.090 56.100 -0.139 0.000 1.064 53 R CB 0.242 30.464 30.300 -0.130 0.000 1.046 53 R HN 0.302 nan 8.270 nan 0.000 0.508 54 Y N -0.554 119.752 120.300 0.010 0.000 2.457 54 Y HA 0.076 4.653 4.550 0.045 0.000 0.263 54 Y C 2.212 178.133 175.900 0.035 0.000 1.164 54 Y CA 0.099 58.210 58.100 0.019 0.000 1.274 54 Y CB -0.326 38.144 38.460 0.016 0.000 1.097 54 Y HN 0.024 nan 8.280 nan 0.000 0.523 55 T N -4.125 110.519 114.554 0.151 0.000 2.985 55 T HA 0.202 4.574 4.350 0.037 0.000 0.266 55 T C 2.045 176.861 174.700 0.193 0.000 1.076 55 T CA 0.990 63.177 62.100 0.144 0.000 1.135 55 T CB -0.436 68.461 68.868 0.049 0.000 0.890 55 T HN 0.427 nan 8.240 nan 0.000 0.480 56 G N 1.414 110.286 108.800 0.121 0.000 2.159 56 G HA2 -0.200 3.782 3.960 0.037 0.000 0.256 56 G HA3 -0.200 3.782 3.960 0.037 0.000 0.256 56 G C 0.030 174.923 174.900 -0.012 0.000 0.977 56 G CA 0.062 45.239 45.100 0.129 0.000 0.652 56 G HN 0.673 nan 8.290 nan 0.000 0.531 57 I N 1.135 121.598 120.570 -0.178 0.000 2.337 57 I HA 0.236 4.429 4.170 0.037 0.000 0.291 57 I C 1.345 177.355 176.117 -0.179 0.000 1.046 57 I CA -0.290 60.806 61.300 -0.339 0.000 1.324 57 I CB 1.236 38.964 38.000 -0.453 0.000 1.409 57 I HN 0.086 nan 8.210 nan 0.000 0.494 58 D N 4.726 125.033 120.400 -0.155 0.000 2.103 58 D HA -0.046 4.616 4.640 0.037 0.000 0.199 58 D C 0.252 176.480 176.300 -0.121 0.000 0.978 58 D CA 1.666 55.600 54.000 -0.110 0.000 0.829 58 D CB 0.498 41.241 40.800 -0.095 0.000 0.981 58 D HN 0.543 nan 8.370 nan 0.000 0.464 59 Q N -0.591 119.111 119.800 -0.163 0.000 2.340 59 Q HA 0.456 4.819 4.340 0.037 0.000 0.276 59 Q C -1.059 174.844 176.000 -0.163 0.000 1.048 59 Q CA -0.726 54.987 55.803 -0.149 0.000 0.832 59 Q CB 2.755 31.393 28.738 -0.167 0.000 1.373 59 Q HN -0.035 nan 8.270 nan 0.000 0.409 60 R N 0.624 121.067 120.500 -0.095 0.000 2.514 60 R HA 0.504 4.866 4.340 0.037 0.000 0.301 60 R C -0.649 175.657 176.300 0.009 0.000 0.962 60 R CA -0.516 55.555 56.100 -0.047 0.000 0.882 60 R CB 1.899 32.188 30.300 -0.018 0.000 1.143 60 R HN 0.444 nan 8.270 nan 0.000 0.452 61 S N 1.018 116.756 115.700 0.063 0.000 2.548 61 S HA 0.236 4.729 4.470 0.037 0.000 0.277 61 S C -0.237 174.460 174.600 0.161 0.000 1.315 61 S CA -0.065 58.219 58.200 0.140 0.000 1.050 61 S CB 1.187 64.547 63.200 0.266 0.000 0.918 61 S HN 0.527 nan 8.310 nan 0.000 0.497 62 S N 0.956 116.760 115.700 0.172 0.000 2.541 62 S HA 0.361 4.853 4.470 0.037 0.000 0.271 62 S C 0.780 175.491 174.600 0.184 0.000 1.133 62 S CA -0.853 57.429 58.200 0.137 0.000 0.876 62 S CB 0.549 63.797 63.200 0.080 0.000 1.105 62 S HN 0.602 nan 8.310 nan 0.000 0.470 63 I N 2.059 122.684 120.570 0.092 0.000 2.700 63 I HA 0.391 4.583 4.170 0.037 0.000 0.261 63 I C 0.894 177.060 176.117 0.082 0.000 1.219 63 I CA 1.036 62.396 61.300 0.099 0.000 1.463 63 I CB -0.675 37.310 38.000 -0.025 0.000 1.092 63 I HN 0.528 nan 8.210 nan 0.000 0.452 64 G N 0.463 109.175 108.800 -0.148 0.000 2.708 64 G HA2 0.556 4.539 3.960 0.037 0.000 0.289 64 G HA3 0.556 4.539 3.960 0.037 0.000 0.289 64 G C -1.445 173.063 174.900 -0.653 0.000 1.416 64 G CA -0.548 44.234 45.100 -0.531 0.000 0.829 64 G HN 0.412 nan 8.290 nan 0.000 0.480 65 N N -1.036 117.223 118.700 -0.735 0.000 2.502 65 N HA 0.535 5.297 4.740 0.037 0.000 0.280 65 N C -2.219 173.223 175.510 -0.115 0.000 1.223 65 N CA -2.065 50.793 53.050 -0.320 0.000 0.966 65 N CB 1.055 39.408 38.487 -0.223 0.000 1.203 65 N HN 0.070 nan 8.380 nan 0.000 0.565 66 P HA -0.031 nan 4.420 nan 0.000 0.229 66 P C -0.362 176.961 177.300 0.039 0.000 1.150 66 P CA 1.035 64.146 63.100 0.018 0.000 0.765 66 P CB 0.117 31.834 31.700 0.029 0.000 0.783 67 D N -3.146 117.261 120.400 0.012 0.000 2.349 67 D HA -0.026 4.636 4.640 0.037 0.000 0.214 67 D C 0.558 176.867 176.300 0.014 0.000 1.063 67 D CA 0.095 54.106 54.000 0.019 0.000 0.847 67 D CB -0.397 40.404 40.800 0.001 0.000 0.933 67 D HN 0.284 nan 8.370 nan 0.000 0.513 68 H N 1.834 120.861 119.070 -0.071 0.000 3.034 68 H HA -0.021 4.544 4.556 0.014 0.000 0.324 68 H C -1.498 173.814 175.328 -0.026 0.000 1.015 68 H CA -0.697 55.309 56.048 -0.070 0.000 1.429 68 H CB 1.636 31.338 29.762 -0.101 0.000 1.429 68 H HN -0.141 nan 8.280 nan 0.000 0.585 69 P HA -0.172 nan 4.420 nan 0.000 0.218 69 P C 1.789 179.143 177.300 0.089 0.000 1.148 69 P CA 0.612 63.685 63.100 -0.046 0.000 0.822 69 P CB 0.199 31.823 31.700 -0.127 0.000 0.784 70 L N 0.153 121.553 121.223 0.294 0.000 2.083 70 L HA -0.109 4.253 4.340 0.037 0.000 0.209 70 L C 1.817 178.734 176.870 0.077 0.000 1.083 70 L CA 1.678 56.633 54.840 0.192 0.000 0.752 70 L CB -0.784 41.397 42.059 0.203 0.000 0.899 70 L HN -0.086 nan 8.230 nan 0.000 0.433 71 V N -3.917 116.047 119.914 0.084 0.000 3.596 71 V HA 0.223 4.365 4.120 0.037 0.000 0.289 71 V C 0.590 176.644 176.094 -0.066 0.000 1.336 71 V CA 0.591 62.886 62.300 -0.009 0.000 1.137 71 V CB -0.936 30.893 31.823 0.009 0.000 0.966 71 V HN 0.488 nan 8.190 nan 0.000 0.428 72 N N 0.424 119.122 118.700 -0.004 0.000 2.351 72 N HA 0.279 5.041 4.740 0.037 0.000 0.254 72 N C -0.024 175.499 175.510 0.021 0.000 1.241 72 N CA -0.287 52.797 53.050 0.055 0.000 0.883 72 N CB 0.642 39.218 38.487 0.148 0.000 1.202 72 N HN 0.470 nan 8.380 nan 0.000 0.512 73 K N 0.385 120.743 120.400 -0.069 0.000 2.098 73 K HA 0.271 4.613 4.320 0.037 0.000 0.244 73 K C -1.536 175.019 176.600 -0.074 0.000 1.014 73 K CA -1.750 54.511 56.287 -0.044 0.000 0.917 73 K CB 0.574 33.051 32.500 -0.039 0.000 1.072 73 K HN -0.184 nan 8.250 nan 0.000 0.477 74 P HA -0.158 nan 4.420 nan 0.000 0.216 74 P C -0.304 176.959 177.300 -0.062 0.000 1.153 74 P CA 1.477 64.571 63.100 -0.009 0.000 0.858 74 P CB 0.221 31.922 31.700 0.002 0.000 0.789 75 N N -1.888 116.767 118.700 -0.075 0.000 2.457 75 N HA 0.336 5.099 4.740 0.037 0.000 0.290 75 N C -2.735 172.707 175.510 -0.114 0.000 1.232 75 N CA -2.040 50.961 53.050 -0.082 0.000 0.852 75 N CB 0.102 38.562 38.487 -0.046 0.000 1.313 75 N HN -0.182 nan 8.380 nan 0.000 0.522 76 P HA 0.123 nan 4.420 nan 0.000 0.268 76 P C -2.364 174.900 177.300 -0.059 0.000 1.208 76 P CA -0.517 62.532 63.100 -0.083 0.000 0.777 76 P CB -0.323 31.348 31.700 -0.048 0.000 0.875 77 P HA -0.010 nan 4.420 nan 0.000 0.268 77 P C 0.048 177.329 177.300 -0.032 0.000 1.205 77 P CA 0.190 63.276 63.100 -0.024 0.000 0.771 77 P CB 0.067 31.767 31.700 -0.000 0.000 0.858 78 T N -1.187 113.347 114.554 -0.033 0.000 2.766 78 T HA 0.024 4.396 4.350 0.037 0.000 0.295 78 T C 1.288 175.955 174.700 -0.056 0.000 1.024 78 T CA -0.453 61.613 62.100 -0.056 0.000 1.018 78 T CB 0.392 69.229 68.868 -0.053 0.000 1.002 78 T HN 0.159 nan 8.240 nan 0.000 0.532 79 V N 0.978 120.822 119.914 -0.115 0.000 2.490 79 V HA -0.086 4.056 4.120 0.037 0.000 0.250 79 V C 2.692 178.769 176.094 -0.029 0.000 1.061 79 V CA 2.387 64.602 62.300 -0.142 0.000 1.064 79 V CB -0.983 30.631 31.823 -0.350 0.000 0.670 79 V HN 1.021 nan 8.190 nan 0.000 0.461 80 K N -0.288 120.098 120.400 -0.024 0.000 2.057 80 K HA -0.211 4.131 4.320 0.037 0.000 0.206 80 K C 2.028 178.681 176.600 0.089 0.000 1.050 80 K CA 2.063 58.372 56.287 0.036 0.000 0.935 80 K CB -0.172 32.331 32.500 0.005 0.000 0.715 80 K HN 0.641 nan 8.250 nan 0.000 0.439 81 E N 0.612 120.842 120.200 0.050 0.000 2.106 81 E HA -0.142 4.230 4.350 0.037 0.000 0.192 81 E C 2.062 178.708 176.600 0.077 0.000 0.984 81 E CA 0.959 57.392 56.400 0.056 0.000 0.806 81 E CB -0.009 29.709 29.700 0.030 0.000 0.750 81 E HN 0.269 nan 8.360 nan 0.000 0.458 82 L N 0.661 121.935 121.223 0.086 0.000 2.042 82 L HA -0.235 4.127 4.340 0.037 0.000 0.210 82 L C 2.777 179.751 176.870 0.173 0.000 1.076 82 L CA 1.379 56.294 54.840 0.125 0.000 0.749 82 L CB -0.653 41.495 42.059 0.148 0.000 0.893 82 L HN 0.352 nan 8.230 nan 0.000 0.432 83 H N 0.700 119.829 119.070 0.099 0.000 2.352 83 H HA -0.191 4.388 4.556 0.038 0.000 0.299 83 H C 1.980 177.382 175.328 0.123 0.000 1.097 83 H CA 1.973 58.085 56.048 0.107 0.000 1.311 83 H CB 0.235 30.030 29.762 0.055 0.000 1.377 83 H HN 0.445 nan 8.280 nan 0.000 0.504 84 E N -0.123 120.071 120.200 -0.010 0.000 2.085 84 E HA -0.129 4.243 4.350 0.037 0.000 0.194 84 E C 2.461 179.024 176.600 -0.062 0.000 0.994 84 E CA 1.392 57.755 56.400 -0.062 0.000 0.801 84 E CB 0.156 29.875 29.700 0.031 0.000 0.743 84 E HN 0.253 nan 8.360 nan 0.000 0.453 85 V N 0.480 120.397 119.914 0.006 0.000 2.591 85 V HA -0.169 3.973 4.120 0.037 0.000 0.249 85 V C 1.802 177.891 176.094 -0.008 0.000 1.053 85 V CA 1.142 63.450 62.300 0.014 0.000 1.068 85 V CB -0.380 31.460 31.823 0.029 0.000 0.689 85 V HN 0.236 nan 8.190 nan 0.000 0.462 86 F N 0.229 120.102 119.950 -0.128 0.000 2.095 86 F HA -0.261 4.287 4.527 0.034 0.000 0.298 86 F C 2.386 178.070 175.800 -0.193 0.000 1.104 86 F CA 1.922 59.833 58.000 -0.149 0.000 1.232 86 F CB -0.048 38.879 39.000 -0.122 0.000 0.987 86 F HN 0.063 nan 8.300 nan 0.000 0.475 87 M N -0.079 119.467 119.600 -0.090 0.000 2.156 87 M HA -0.121 4.382 4.480 0.037 0.000 0.264 87 M C 2.564 178.782 176.300 -0.136 0.000 1.067 87 M CA 1.772 56.972 55.300 -0.166 0.000 1.131 87 M CB -1.768 30.642 32.600 -0.317 0.000 1.368 87 M HN 0.341 nan 8.290 nan 0.000 0.416 88 S N -0.355 115.284 115.700 -0.102 0.000 2.387 88 S HA -0.091 4.401 4.470 0.037 0.000 0.226 88 S C 1.180 175.749 174.600 -0.051 0.000 1.026 88 S CA 1.463 59.631 58.200 -0.053 0.000 0.972 88 S CB -0.254 62.938 63.200 -0.013 0.000 0.814 88 S HN 0.402 nan 8.310 nan 0.000 0.477 89 D N 0.417 120.769 120.400 -0.080 0.000 2.454 89 D HA 0.303 4.966 4.640 0.037 0.000 0.219 89 D C 1.877 178.080 176.300 -0.161 0.000 1.081 89 D CA 0.626 54.582 54.000 -0.072 0.000 0.867 89 D CB 0.026 40.811 40.800 -0.026 0.000 1.054 89 D HN 0.465 nan 8.370 nan 0.000 0.500 90 G N 0.319 108.928 108.800 -0.318 0.000 2.497 90 G HA2 -0.077 3.906 3.960 0.037 0.000 0.210 90 G HA3 -0.077 3.906 3.960 0.037 0.000 0.210 90 G C 1.653 176.300 174.900 -0.421 0.000 1.177 90 G CA 0.123 44.906 45.100 -0.529 0.000 0.822 90 G HN 0.122 nan 8.290 nan 0.000 0.550 91 V N 2.309 122.015 119.914 -0.347 0.000 2.324 91 V HA -0.140 4.003 4.120 0.037 0.000 0.250 91 V C 0.217 176.281 176.094 -0.050 0.000 1.060 91 V CA 2.397 64.625 62.300 -0.120 0.000 1.042 91 V CB -1.058 30.769 31.823 0.006 0.000 0.650 91 V HN 0.280 nan 8.190 nan 0.000 0.450 92 P HA -0.137 nan 4.420 nan 0.000 0.218 92 P C 1.821 179.102 177.300 -0.032 0.000 1.148 92 P CA 1.367 64.451 63.100 -0.026 0.000 0.822 92 P CB -0.069 31.617 31.700 -0.023 0.000 0.784 93 L N -1.182 120.000 121.223 -0.068 0.000 2.056 93 L HA -0.134 4.229 4.340 0.037 0.000 0.207 93 L C 2.505 179.345 176.870 -0.050 0.000 1.078 93 L CA 1.603 56.403 54.840 -0.067 0.000 0.749 93 L CB -1.316 40.678 42.059 -0.107 0.000 0.901 93 L HN -0.052 nan 8.230 nan 0.000 0.433 94 A N -0.220 122.575 122.820 -0.042 0.000 1.930 94 A HA -0.117 4.225 4.320 0.037 0.000 0.217 94 A C 2.354 179.966 177.584 0.047 0.000 1.175 94 A CA 1.564 53.620 52.037 0.032 0.000 0.627 94 A CB -0.743 18.334 19.000 0.129 0.000 0.815 94 A HN 0.183 nan 8.150 nan 0.000 0.443 95 V N 0.034 119.970 119.914 0.037 0.000 2.295 95 V HA -0.236 3.907 4.120 0.037 0.000 0.246 95 V C 2.618 178.721 176.094 0.015 0.000 1.049 95 V CA 2.439 64.758 62.300 0.032 0.000 1.024 95 V CB -0.660 31.181 31.823 0.031 0.000 0.648 95 V HN 0.728 nan 8.190 nan 0.000 0.447 96 E N 0.741 120.944 120.200 0.004 0.000 2.072 96 E HA -0.133 4.240 4.350 0.037 0.000 0.191 96 E C 2.109 178.707 176.600 -0.004 0.000 0.985 96 E CA 1.564 57.964 56.400 -0.001 0.000 0.801 96 E CB -0.483 29.215 29.700 -0.004 0.000 0.750 96 E HN 0.486 nan 8.360 nan 0.000 0.452 97 A N -0.007 122.807 122.820 -0.008 0.000 1.877 97 A HA -0.176 4.166 4.320 0.037 0.000 0.216 97 A C 2.449 180.033 177.584 0.000 0.000 1.186 97 A CA 1.991 54.022 52.037 -0.010 0.000 0.620 97 A CB -0.833 18.158 19.000 -0.015 0.000 0.822 97 A HN 0.304 nan 8.150 nan 0.000 0.443 98 S N -0.551 115.155 115.700 0.011 0.000 2.368 98 S HA -0.152 4.340 4.470 0.037 0.000 0.225 98 S C 2.066 176.664 174.600 -0.003 0.000 1.030 98 S CA 1.309 59.514 58.200 0.007 0.000 0.999 98 S CB -0.324 62.888 63.200 0.019 0.000 0.844 98 S HN 0.582 nan 8.310 nan 0.000 0.459 99 R N 1.166 121.665 120.500 -0.001 0.000 2.091 99 R HA -0.043 4.319 4.340 0.037 0.000 0.238 99 R C 2.316 178.611 176.300 -0.008 0.000 1.136 99 R CA 1.257 57.355 56.100 -0.004 0.000 0.959 99 R CB -0.206 30.094 30.300 -0.001 0.000 0.856 99 R HN 0.370 nan 8.270 nan 0.000 0.437 100 K N 0.015 120.410 120.400 -0.008 0.000 2.103 100 K HA -0.021 4.322 4.320 0.037 0.000 0.204 100 K C 2.159 178.750 176.600 -0.016 0.000 1.052 100 K CA 1.091 57.373 56.287 -0.009 0.000 0.945 100 K CB -0.063 32.433 32.500 -0.006 0.000 0.722 100 K HN 0.123 nan 8.250 nan 0.000 0.443 101 A N 1.560 124.367 122.820 -0.022 0.000 1.877 101 A HA -0.176 4.166 4.320 0.037 0.000 0.216 101 A C 2.169 179.733 177.584 -0.034 0.000 1.186 101 A CA 1.557 53.573 52.037 -0.036 0.000 0.620 101 A CB -0.483 18.486 19.000 -0.050 0.000 0.822 101 A HN 0.168 nan 8.150 nan 0.000 0.443 102 M N -0.516 119.068 119.600 -0.027 0.000 2.117 102 M HA -0.141 4.361 4.480 0.037 0.000 0.262 102 M C 2.522 178.810 176.300 -0.020 0.000 1.065 102 M CA 1.419 56.705 55.300 -0.024 0.000 1.114 102 M CB -0.433 32.156 32.600 -0.018 0.000 1.361 102 M HN 0.481 nan 8.290 nan 0.000 0.408 103 A N 0.116 122.926 122.820 -0.017 0.000 1.902 103 A HA -0.229 4.113 4.320 0.037 0.000 0.217 103 A C 1.990 179.563 177.584 -0.018 0.000 1.181 103 A CA 2.057 54.085 52.037 -0.015 0.000 0.623 103 A CB -0.805 18.189 19.000 -0.011 0.000 0.818 103 A HN 0.579 nan 8.150 nan 0.000 0.443 104 E N -0.221 119.966 120.200 -0.022 0.000 2.106 104 E HA -0.073 4.299 4.350 0.037 0.000 0.192 104 E C 1.841 178.423 176.600 -0.030 0.000 0.984 104 E CA 0.934 57.318 56.400 -0.026 0.000 0.806 104 E CB -0.224 29.458 29.700 -0.030 0.000 0.750 104 E HN 0.532 nan 8.360 nan 0.000 0.458 105 A N 0.541 123.343 122.820 -0.030 0.000 2.206 105 A HA 0.051 4.393 4.320 0.037 0.000 0.211 105 A C 0.717 178.287 177.584 -0.024 0.000 1.158 105 A CA 0.528 52.547 52.037 -0.031 0.000 0.761 105 A CB -0.245 18.735 19.000 -0.034 0.000 0.801 105 A HN 0.317 nan 8.150 nan 0.000 0.473 106 R N -1.821 118.667 120.500 -0.021 0.000 3.336 106 R HA -0.145 4.218 4.340 0.037 0.000 0.260 106 R C -1.201 175.091 176.300 -0.014 0.000 1.032 106 R CA 0.591 56.681 56.100 -0.016 0.000 0.693 106 R CB -2.152 28.138 30.300 -0.016 0.000 1.134 106 R HN 0.504 nan 8.270 nan 0.000 0.433 107 L N 0.448 121.662 121.223 -0.015 0.000 2.346 107 L HA 0.593 4.956 4.340 0.037 0.000 0.276 107 L C 0.725 177.588 176.870 -0.011 0.000 1.006 107 L CA -1.206 53.627 54.840 -0.012 0.000 0.817 107 L CB 1.834 43.885 42.059 -0.014 0.000 1.272 107 L HN -0.053 nan 8.230 nan 0.000 0.421 108 V N 0.483 120.391 119.914 -0.009 0.000 2.837 108 V HA 0.433 4.575 4.120 0.037 0.000 0.310 108 V C -1.997 174.090 176.094 -0.010 0.000 1.059 108 V CA -1.464 60.831 62.300 -0.009 0.000 1.004 108 V CB 0.981 32.800 31.823 -0.008 0.000 1.045 108 V HN 0.538 nan 8.190 nan 0.000 0.465 109 P HA -0.163 nan 4.420 nan 0.000 0.216 109 P C 1.538 178.829 177.300 -0.015 0.000 1.154 109 P CA 2.569 65.660 63.100 -0.016 0.000 0.865 109 P CB -0.027 31.662 31.700 -0.018 0.000 0.789 110 A N -0.730 122.083 122.820 -0.013 0.000 2.125 110 A HA -0.213 4.130 4.320 0.037 0.000 0.219 110 A C 2.065 179.646 177.584 -0.006 0.000 1.156 110 A CA 1.290 53.320 52.037 -0.011 0.000 0.671 110 A CB -1.027 17.967 19.000 -0.009 0.000 0.794 110 A HN 0.273 nan 8.150 nan 0.000 0.459 111 Q N -0.604 119.193 119.800 -0.004 0.000 2.389 111 Q HA 0.112 4.474 4.340 0.037 0.000 0.204 111 Q C -0.218 175.786 176.000 0.007 0.000 0.944 111 Q CA -0.001 55.803 55.803 0.003 0.000 0.908 111 Q CB 0.159 28.898 28.738 0.002 0.000 1.002 111 Q HN 0.477 nan 8.270 nan 0.000 0.493 112 I N 1.791 122.360 120.570 -0.002 0.000 2.452 112 I HA -0.037 4.155 4.170 0.037 0.000 0.287 112 I C 1.517 177.632 176.117 -0.004 0.000 1.079 112 I CA 0.589 61.888 61.300 -0.001 0.000 1.387 112 I CB 0.916 38.910 38.000 -0.011 0.000 1.404 112 I HN 0.159 nan 8.210 nan 0.000 0.522 113 T N 2.572 117.139 114.554 0.022 0.000 3.039 113 T HA 0.136 4.509 4.350 0.037 0.000 0.250 113 T C 0.486 175.065 174.700 -0.202 0.000 1.052 113 T CA 0.434 62.514 62.100 -0.034 0.000 1.125 113 T CB 0.106 69.008 68.868 0.058 0.000 0.908 113 T HN 0.586 nan 8.240 nan 0.000 0.473 114 H N -0.354 118.652 119.070 -0.107 0.000 2.985 114 H HA 0.731 5.309 4.556 0.037 0.000 0.360 114 H C -1.224 174.054 175.328 -0.082 0.000 1.221 114 H CA -1.010 54.974 56.048 -0.107 0.000 1.121 114 H CB 1.791 31.464 29.762 -0.149 0.000 1.854 114 H HN 0.185 nan 8.280 nan 0.000 0.551 115 M N 1.900 121.538 119.600 0.064 0.000 2.263 115 M HA 0.550 5.052 4.480 0.037 0.000 0.295 115 M C -1.863 174.441 176.300 0.006 0.000 1.028 115 M CA -0.873 54.434 55.300 0.011 0.000 0.921 115 M CB 1.418 34.005 32.600 -0.022 0.000 1.601 115 M HN 0.383 nan 8.290 nan 0.000 0.440 116 V N 3.685 123.598 119.914 -0.002 0.000 2.376 116 V HA 0.553 4.696 4.120 0.037 0.000 0.287 116 V C -0.544 175.561 176.094 0.019 0.000 1.015 116 V CA -0.437 61.861 62.300 -0.002 0.000 0.834 116 V CB 1.547 33.358 31.823 -0.019 0.000 1.001 116 V HN 0.937 nan 8.190 nan 0.000 0.428 117 S N 2.705 118.409 115.700 0.006 0.000 2.607 117 S HA 0.819 5.311 4.470 0.037 0.000 0.303 117 S C -0.233 174.419 174.600 0.086 0.000 1.086 117 S CA -0.607 57.614 58.200 0.035 0.000 0.995 117 S CB 2.235 65.361 63.200 -0.123 0.000 1.084 117 S HN 0.774 nan 8.310 nan 0.000 0.507 118 T N 0.619 115.279 114.554 0.177 0.000 2.900 118 T HA 0.738 5.111 4.350 0.037 0.000 0.303 118 T C -1.376 173.468 174.700 0.240 0.000 1.142 118 T CA -0.291 61.899 62.100 0.151 0.000 1.007 118 T CB 1.856 70.737 68.868 0.022 0.000 1.156 118 T HN 0.645 nan 8.240 nan 0.000 0.490 119 T N 0.787 115.432 114.554 0.151 0.000 2.957 119 T HA 0.403 4.775 4.350 0.037 0.000 0.336 119 T C 0.342 174.951 174.700 -0.152 0.000 1.462 119 T CA -0.183 61.934 62.100 0.028 0.000 1.073 119 T CB 0.363 69.267 68.868 0.060 0.000 1.319 119 T HN 0.977 nan 8.240 nan 0.000 0.485 120 C N 1.396 120.539 119.300 -0.261 0.000 3.243 120 C HA 0.456 4.938 4.460 0.037 0.000 0.286 120 C C 1.542 176.152 174.990 -0.633 0.000 1.373 120 C CA 0.518 59.272 59.018 -0.441 0.000 1.749 120 C CB -1.701 25.846 27.740 -0.321 0.000 2.313 120 C HN 0.927 nan 8.230 nan 0.000 0.644 121 T N -3.334 110.908 114.554 -0.520 0.000 3.182 121 T HA 0.359 4.732 4.350 0.037 0.000 0.277 121 T C -0.655 173.620 174.700 -0.707 0.000 1.013 121 T CA 0.187 61.980 62.100 -0.513 0.000 0.900 121 T CB 0.036 68.881 68.868 -0.038 0.000 1.098 121 T HN 0.505 nan 8.240 nan 0.000 0.543 122 D N 0.177 120.041 120.400 -0.894 0.000 2.655 122 D HA 0.572 5.235 4.640 0.037 0.000 0.229 122 D C -1.695 174.538 176.300 -0.113 0.000 1.229 122 D CA -0.326 53.303 54.000 -0.619 0.000 0.807 122 D CB 2.337 42.245 40.800 -1.486 0.000 1.514 122 D HN 0.055 nan 8.370 nan 0.000 0.444 123 S N 0.943 116.750 115.700 0.178 0.000 2.571 123 S HA 0.906 5.398 4.470 0.037 0.000 0.284 123 S C -1.708 172.883 174.600 -0.015 0.000 1.128 123 S CA -0.072 58.210 58.200 0.137 0.000 0.970 123 S CB 0.924 64.273 63.200 0.248 0.000 1.039 123 S HN 0.822 nan 8.310 nan 0.000 0.485 124 A N 3.897 126.705 122.820 -0.020 0.000 2.605 124 A HA 0.768 5.110 4.320 0.037 0.000 0.294 124 A C -1.805 175.786 177.584 0.012 0.000 1.062 124 A CA -0.999 51.003 52.037 -0.059 0.000 0.682 124 A CB 1.346 20.394 19.000 0.080 0.000 1.278 124 A HN 0.776 nan 8.150 nan 0.000 0.410 125 N N 1.691 120.393 118.700 0.003 0.000 2.533 125 N HA 0.602 5.365 4.740 0.037 0.000 0.289 125 N C -2.933 172.597 175.510 0.034 0.000 1.103 125 N CA -0.765 52.293 53.050 0.014 0.000 0.877 125 N CB 1.481 39.953 38.487 -0.024 0.000 1.419 125 N HN 0.554 nan 8.380 nan 0.000 0.517 126 P HA 0.212 nan 4.420 nan 0.000 0.269 126 P C 0.588 178.018 177.300 0.217 0.000 1.209 126 P CA -0.391 62.725 63.100 0.028 0.000 0.776 126 P CB 0.428 31.986 31.700 -0.236 0.000 0.876 127 G N 0.411 109.309 108.800 0.164 0.000 2.636 127 G HA2 0.099 4.081 3.960 0.037 0.000 0.246 127 G HA3 0.099 4.081 3.960 0.037 0.000 0.246 127 G C 0.502 175.634 174.900 0.387 0.000 1.216 127 G CA -0.391 44.847 45.100 0.229 0.000 0.854 127 G HN 0.695 nan 8.290 nan 0.000 0.572 128 Y N -0.506 120.009 120.300 0.358 0.000 2.333 128 Y HA -0.159 4.416 4.550 0.042 0.000 0.290 128 Y C 2.140 178.274 175.900 0.390 0.000 1.144 128 Y CA 1.608 59.977 58.100 0.449 0.000 1.228 128 Y CB -0.234 38.517 38.460 0.485 0.000 0.985 128 Y HN 0.462 nan 8.280 nan 0.000 0.542 129 D N -0.065 120.070 120.400 -0.441 0.000 2.149 129 D HA -0.324 4.339 4.640 0.037 0.000 0.198 129 D C 2.032 178.290 176.300 -0.069 0.000 0.990 129 D CA 1.991 55.759 54.000 -0.387 0.000 0.839 129 D CB -1.216 39.352 40.800 -0.387 0.000 0.948 129 D HN 0.669 nan 8.370 nan 0.000 0.460 130 H N 0.300 119.332 119.070 -0.064 0.000 2.289 130 H HA -0.221 4.357 4.556 0.037 0.000 0.296 130 H C 1.737 176.983 175.328 -0.136 0.000 1.091 130 H CA 1.836 57.800 56.048 -0.140 0.000 1.274 130 H CB -0.420 29.178 29.762 -0.273 0.000 1.364 130 H HN 0.243 nan 8.280 nan 0.000 0.490 131 Y N 0.053 120.401 120.300 0.080 0.000 2.242 131 Y HA -0.155 4.419 4.550 0.040 0.000 0.291 131 Y C 3.089 178.986 175.900 -0.004 0.000 1.137 131 Y CA 1.004 59.139 58.100 0.059 0.000 1.181 131 Y CB -0.408 38.167 38.460 0.191 0.000 0.989 131 Y HN -0.009 nan 8.280 nan 0.000 0.527 132 V N 0.002 120.026 119.914 0.183 0.000 2.261 132 V HA -0.354 3.789 4.120 0.037 0.000 0.246 132 V C 2.552 178.646 176.094 -0.000 0.000 1.047 132 V CA 1.835 64.197 62.300 0.102 0.000 1.015 132 V CB -1.393 30.505 31.823 0.124 0.000 0.642 132 V HN 0.474 nan 8.190 nan 0.000 0.446 133 A N -0.285 122.493 122.820 -0.069 0.000 1.908 133 A HA -0.298 4.044 4.320 0.037 0.000 0.218 133 A C 2.365 179.865 177.584 -0.140 0.000 1.181 133 A CA 2.345 54.317 52.037 -0.109 0.000 0.627 133 A CB -0.538 18.378 19.000 -0.141 0.000 0.818 133 A HN 0.545 nan 8.150 nan 0.000 0.445 134 K N -0.271 119.993 120.400 -0.227 0.000 2.026 134 K HA -0.177 4.165 4.320 0.037 0.000 0.208 134 K C 1.899 178.452 176.600 -0.080 0.000 1.048 134 K CA 1.631 57.796 56.287 -0.203 0.000 0.929 134 K CB -0.219 32.097 32.500 -0.306 0.000 0.713 134 K HN 0.607 nan 8.250 nan 0.000 0.439 135 E N 0.469 120.649 120.200 -0.032 0.000 2.153 135 E HA -0.163 4.209 4.350 0.037 0.000 0.194 135 E C 1.956 178.553 176.600 -0.006 0.000 0.988 135 E CA 0.957 57.359 56.400 0.004 0.000 0.811 135 E CB -0.003 29.719 29.700 0.037 0.000 0.746 135 E HN 0.357 nan 8.360 nan 0.000 0.466 136 L N -0.465 120.747 121.223 -0.017 0.000 2.478 136 L HA 0.055 4.417 4.340 0.037 0.000 0.223 136 L C 1.357 178.212 176.870 -0.025 0.000 1.140 136 L CA 0.452 55.282 54.840 -0.017 0.000 0.842 136 L CB -0.105 41.943 42.059 -0.018 0.000 0.953 136 L HN 0.237 nan 8.230 nan 0.000 0.452 137 G N 0.723 109.501 108.800 -0.036 0.000 2.198 137 G HA2 -0.257 3.725 3.960 0.037 0.000 0.257 137 G HA3 -0.257 3.725 3.960 0.037 0.000 0.257 137 G C 0.221 175.098 174.900 -0.039 0.000 1.042 137 G CA -0.142 44.936 45.100 -0.036 0.000 0.791 137 G HN 0.206 nan 8.290 nan 0.000 0.502 138 L N 0.094 121.286 121.223 -0.051 0.000 2.476 138 L HA 0.438 4.801 4.340 0.037 0.000 0.255 138 L C 1.621 178.461 176.870 -0.050 0.000 1.218 138 L CA 0.031 54.842 54.840 -0.048 0.000 0.819 138 L CB 0.529 42.556 42.059 -0.054 0.000 1.119 138 L HN 0.303 nan 8.230 nan 0.000 0.485 139 S N 0.328 116.002 115.700 -0.043 0.000 2.558 139 S HA -0.070 4.422 4.470 0.037 0.000 0.288 139 S C 1.032 175.606 174.600 -0.042 0.000 1.318 139 S CA -0.441 57.736 58.200 -0.038 0.000 1.056 139 S CB 0.382 63.560 63.200 -0.036 0.000 0.853 139 S HN 0.760 nan 8.310 nan 0.000 0.505 140 D N 4.062 124.442 120.400 -0.034 0.000 2.350 140 D HA -0.110 4.553 4.640 0.037 0.000 0.216 140 D C 0.995 177.279 176.300 -0.027 0.000 0.968 140 D CA 0.806 54.789 54.000 -0.028 0.000 0.894 140 D CB -0.036 40.753 40.800 -0.018 0.000 0.909 140 D HN 0.559 nan 8.370 nan 0.000 0.520 141 R N -0.159 120.322 120.500 -0.033 0.000 2.468 141 R HA 0.194 4.556 4.340 0.037 0.000 0.280 141 R C 0.275 176.541 176.300 -0.057 0.000 0.963 141 R CA -0.754 55.324 56.100 -0.037 0.000 1.083 141 R CB 0.240 30.520 30.300 -0.032 0.000 1.200 141 R HN 0.126 nan 8.270 nan 0.000 0.541 142 L N 2.507 123.693 121.223 -0.061 0.000 2.578 142 L HA -0.051 4.312 4.340 0.037 0.000 0.279 142 L C -0.004 176.812 176.870 -0.090 0.000 1.227 142 L CA 0.800 55.592 54.840 -0.081 0.000 0.900 142 L CB 0.320 42.340 42.059 -0.065 0.000 1.144 142 L HN 0.072 nan 8.230 nan 0.000 0.496 143 E N 5.729 125.840 120.200 -0.149 0.000 2.130 143 E HA 0.245 4.617 4.350 0.037 0.000 0.284 143 E C -0.754 175.816 176.600 -0.051 0.000 1.018 143 E CA -0.405 55.922 56.400 -0.121 0.000 0.817 143 E CB 0.785 30.353 29.700 -0.219 0.000 1.078 143 E HN 0.499 nan 8.360 nan 0.000 0.396 144 K N 1.652 122.036 120.400 -0.026 0.000 2.203 144 K HA 0.565 4.907 4.320 0.037 0.000 0.251 144 K C -0.876 175.722 176.600 -0.003 0.000 0.944 144 K CA -0.851 55.428 56.287 -0.015 0.000 0.829 144 K CB 2.224 34.708 32.500 -0.026 0.000 1.125 144 K HN 0.149 nan 8.250 nan 0.000 0.430 145 V N 3.434 123.345 119.914 -0.004 0.000 2.482 145 V HA 0.220 4.363 4.120 0.037 0.000 0.295 145 V C -1.334 174.754 176.094 -0.009 0.000 1.026 145 V CA -0.860 61.440 62.300 -0.001 0.000 0.856 145 V CB 1.554 33.379 31.823 0.004 0.000 1.001 145 V HN 0.522 nan 8.190 nan 0.000 0.424 146 L N 6.936 128.158 121.223 -0.002 0.000 2.277 146 L HA 0.581 4.944 4.340 0.037 0.000 0.284 146 L C -0.409 176.494 176.870 0.055 0.000 1.028 146 L CA 0.177 55.024 54.840 0.011 0.000 0.835 146 L CB 0.865 42.925 42.059 0.002 0.000 1.215 146 L HN 0.514 nan 8.230 nan 0.000 0.425 147 L N 5.130 126.391 121.223 0.063 0.000 2.397 147 L HA 0.346 4.708 4.340 0.037 0.000 0.271 147 L C 0.131 177.083 176.870 0.137 0.000 1.148 147 L CA -0.170 54.713 54.840 0.072 0.000 0.825 147 L CB 0.546 42.621 42.059 0.027 0.000 1.117 147 L HN 0.620 nan 8.230 nan 0.000 0.456 148 H N 0.594 119.666 119.070 0.004 0.000 2.907 148 H HA 0.346 4.924 4.556 0.037 0.000 0.361 148 H C 0.596 175.923 175.328 -0.001 0.000 1.194 148 H CA 0.331 56.379 56.048 -0.001 0.000 1.152 148 H CB 2.412 32.182 29.762 0.014 0.000 1.867 148 H HN 0.664 nan 8.280 nan 0.000 0.561 149 G N 1.465 110.117 108.800 -0.246 0.000 2.176 149 G HA2 -0.252 3.731 3.960 0.037 0.000 0.253 149 G HA3 -0.252 3.731 3.960 0.037 0.000 0.253 149 G C 0.825 175.678 174.900 -0.078 0.000 0.979 149 G CA 0.688 45.738 45.100 -0.084 0.000 0.641 149 G HN 0.654 nan 8.290 nan 0.000 0.530 150 I N -1.933 118.566 120.570 -0.117 0.000 4.288 150 I HA 0.551 4.743 4.170 0.037 0.000 0.331 150 I C 1.343 177.390 176.117 -0.117 0.000 1.322 150 I CA 0.356 61.603 61.300 -0.087 0.000 1.149 150 I CB 0.200 38.157 38.000 -0.072 0.000 1.112 150 I HN 1.161 nan 8.210 nan 0.000 0.403 154 G N 1.961 110.627 108.800 -0.223 0.000 2.422 154 G HA2 0.194 4.177 3.960 0.037 0.000 0.218 154 G HA3 0.194 4.177 3.960 0.037 0.000 0.218 154 G C 1.298 176.061 174.900 -0.230 0.000 1.146 154 G CA 1.005 45.993 45.100 -0.187 0.000 0.769 154 G HN 0.806 nan 8.290 nan 0.000 0.547 155 G N 0.983 109.561 108.800 -0.371 0.000 2.453 155 G HA2 -0.151 3.831 3.960 0.037 0.000 0.215 155 G HA3 -0.151 3.831 3.960 0.037 0.000 0.215 155 G C 1.765 176.436 174.900 -0.381 0.000 1.201 155 G CA 0.701 45.417 45.100 -0.640 0.000 0.784 155 G HN 0.398 nan 8.290 nan 0.000 0.545 156 L N 0.675 121.739 121.223 -0.265 0.000 2.141 156 L HA -0.011 4.352 4.340 0.037 0.000 0.209 156 L C 3.393 180.197 176.870 -0.110 0.000 1.094 156 L CA 0.812 55.579 54.840 -0.122 0.000 0.763 156 L CB -0.389 41.594 42.059 -0.126 0.000 0.908 156 L HN 0.334 nan 8.230 nan 0.000 0.437 157 A N 0.234 122.978 122.820 -0.127 0.000 1.902 157 A HA -0.155 4.187 4.320 0.037 0.000 0.217 157 A C 2.550 180.074 177.584 -0.100 0.000 1.181 157 A CA 1.668 53.640 52.037 -0.108 0.000 0.623 157 A CB -0.587 18.357 19.000 -0.092 0.000 0.818 157 A HN 0.387 nan 8.150 nan 0.000 0.443 158 A N -0.569 122.209 122.820 -0.069 0.000 1.902 158 A HA -0.033 4.309 4.320 0.037 0.000 0.217 158 A C 2.127 179.696 177.584 -0.025 0.000 1.181 158 A CA 1.703 53.725 52.037 -0.024 0.000 0.623 158 A CB -0.619 18.403 19.000 0.037 0.000 0.818 158 A HN 0.624 nan 8.150 nan 0.000 0.443 159 L N -0.074 121.166 121.223 0.029 0.000 2.012 159 L HA -0.144 4.218 4.340 0.037 0.000 0.210 159 L C 2.506 179.229 176.870 -0.245 0.000 1.073 159 L CA 2.488 57.310 54.840 -0.031 0.000 0.748 159 L CB -0.537 41.565 42.059 0.072 0.000 0.891 159 L HN 0.496 nan 8.230 nan 0.000 0.431 160 R N -1.529 118.779 120.500 -0.320 0.000 2.075 160 R HA -0.136 4.226 4.340 0.037 0.000 0.232 160 R C 2.009 177.987 176.300 -0.537 0.000 1.126 160 R CA 1.838 57.559 56.100 -0.632 0.000 0.963 160 R CB -0.378 29.605 30.300 -0.528 0.000 0.858 160 R HN 0.394 nan 8.270 nan 0.000 0.435 161 T N 0.788 115.162 114.554 -0.299 0.000 2.708 161 T HA -0.119 4.253 4.350 0.037 0.000 0.266 161 T C 1.863 176.426 174.700 -0.228 0.000 1.037 161 T CA 1.434 63.406 62.100 -0.212 0.000 1.146 161 T CB -0.374 68.420 68.868 -0.123 0.000 0.865 161 T HN 0.466 nan 8.240 nan 0.000 0.435 162 A N 1.536 124.224 122.820 -0.221 0.000 1.948 162 A HA 0.036 4.379 4.320 0.037 0.000 0.220 162 A C 2.642 180.053 177.584 -0.289 0.000 1.177 162 A CA 2.035 53.931 52.037 -0.235 0.000 0.636 162 A CB -1.149 17.742 19.000 -0.183 0.000 0.815 162 A HN 0.528 nan 8.150 nan 0.000 0.449 163 A N 0.258 122.853 122.820 -0.375 0.000 1.877 163 A HA -0.212 4.130 4.320 0.037 0.000 0.216 163 A C 1.937 179.358 177.584 -0.272 0.000 1.186 163 A CA 1.818 53.611 52.037 -0.407 0.000 0.620 163 A CB -0.649 17.820 19.000 -0.884 0.000 0.822 163 A HN 0.558 nan 8.150 nan 0.000 0.443 164 N N 0.235 118.764 118.700 -0.285 0.000 2.120 164 N HA -0.105 4.658 4.740 0.037 0.000 0.188 164 N C 1.666 177.118 175.510 -0.096 0.000 1.024 164 N CA 1.436 54.423 53.050 -0.106 0.000 0.852 164 N CB -0.531 37.906 38.487 -0.084 0.000 1.003 164 N HN 0.526 nan 8.380 nan 0.000 0.424 165 L N 0.032 121.148 121.223 -0.179 0.000 2.056 165 L HA -0.134 4.229 4.340 0.037 0.000 0.207 165 L C 2.484 179.160 176.870 -0.323 0.000 1.078 165 L CA 0.722 55.414 54.840 -0.246 0.000 0.749 165 L CB -0.523 41.315 42.059 -0.369 0.000 0.901 165 L HN 0.187 nan 8.230 nan 0.000 0.433 166 C N 0.118 119.229 119.300 -0.314 0.000 2.398 166 C HA -0.192 4.291 4.460 0.037 0.000 0.276 166 C C 2.757 177.720 174.990 -0.046 0.000 1.222 166 C CA 0.787 59.680 59.018 -0.207 0.000 1.746 166 C CB -0.828 26.824 27.740 -0.146 0.000 2.039 166 C HN 0.432 nan 8.230 nan 0.000 0.470 167 L N 0.499 121.714 121.223 -0.013 0.000 2.201 167 L HA -0.019 4.343 4.340 0.037 0.000 0.212 167 L C 2.732 179.644 176.870 0.069 0.000 1.105 167 L CA 1.381 56.251 54.840 0.050 0.000 0.775 167 L CB -1.001 41.109 42.059 0.084 0.000 0.913 167 L HN 0.528 nan 8.230 nan 0.000 0.440 168 G N -1.287 107.555 108.800 0.069 0.000 2.418 168 G HA2 -0.245 3.737 3.960 0.037 0.000 0.217 168 G HA3 -0.245 3.737 3.960 0.037 0.000 0.217 168 G C 1.409 176.427 174.900 0.196 0.000 1.158 168 G CA 0.527 45.699 45.100 0.120 0.000 0.771 168 G HN 0.437 nan 8.290 nan 0.000 0.545 169 H N -0.147 118.946 119.070 0.038 0.000 2.395 169 H HA -0.046 4.533 4.556 0.038 0.000 0.299 169 H C 2.942 178.291 175.328 0.034 0.000 1.070 169 H CA 1.242 57.324 56.048 0.056 0.000 1.356 169 H CB 0.189 30.008 29.762 0.094 0.000 1.401 169 H HN 0.292 nan 8.280 nan 0.000 0.524 170 T N 0.791 115.428 114.554 0.139 0.000 2.699 170 T HA -0.200 4.172 4.350 0.037 0.000 0.268 170 T C 2.284 177.014 174.700 0.050 0.000 1.036 170 T CA 1.104 63.249 62.100 0.075 0.000 1.147 170 T CB -0.445 68.461 68.868 0.063 0.000 0.862 170 T HN 0.434 nan 8.240 nan 0.000 0.446 171 A N 1.573 124.424 122.820 0.052 0.000 1.986 171 A HA -0.139 4.203 4.320 0.037 0.000 0.220 171 A C 2.192 179.784 177.584 0.014 0.000 1.171 171 A CA 1.306 53.364 52.037 0.034 0.000 0.640 171 A CB -0.377 18.647 19.000 0.039 0.000 0.811 171 A HN 0.451 nan 8.150 nan 0.000 0.451 172 R N -1.509 118.991 120.500 0.001 0.000 2.393 172 R HA 0.242 4.604 4.340 0.037 0.000 0.244 172 R C 1.045 177.322 176.300 -0.039 0.000 0.920 172 R CA 0.431 56.510 56.100 -0.035 0.000 1.076 172 R CB -0.025 30.222 30.300 -0.088 0.000 1.119 172 R HN 0.622 nan 8.270 nan 0.000 0.524 173 G N 2.380 111.173 108.800 -0.011 0.000 2.283 173 G HA2 -0.337 3.645 3.960 0.037 0.000 0.280 173 G HA3 -0.337 3.645 3.960 0.037 0.000 0.280 173 G C -0.237 174.657 174.900 -0.010 0.000 1.029 173 G CA 0.583 45.680 45.100 -0.005 0.000 0.840 173 G HN 0.278 nan 8.290 nan 0.000 0.505 174 K N 0.331 120.721 120.400 -0.017 0.000 2.164 174 K HA 0.513 4.855 4.320 0.037 0.000 0.258 174 K C -2.587 174.073 176.600 0.101 0.000 0.951 174 K CA -2.306 53.974 56.287 -0.012 0.000 0.844 174 K CB 1.896 34.284 32.500 -0.187 0.000 1.099 174 K HN -0.061 nan 8.250 nan 0.000 0.435 175 P HA 0.011 nan 4.420 nan 0.000 0.268 175 P C -1.414 176.017 177.300 0.219 0.000 1.204 175 P CA -0.070 63.103 63.100 0.121 0.000 0.768 175 P CB 0.837 32.584 31.700 0.078 0.000 0.842 176 A N 4.122 127.028 122.820 0.143 0.000 2.356 176 A HA 0.710 5.053 4.320 0.037 0.000 0.310 176 A C -0.546 177.051 177.584 0.021 0.000 1.075 176 A CA -0.611 51.477 52.037 0.084 0.000 0.746 176 A CB 1.180 20.151 19.000 -0.049 0.000 1.221 176 A HN 0.330 nan 8.150 nan 0.000 0.443 177 R N 2.796 123.315 120.500 0.031 0.000 2.473 177 R HA 0.443 4.806 4.340 0.037 0.000 0.303 177 R C -1.467 174.832 176.300 -0.001 0.000 1.002 177 R CA -0.226 55.874 56.100 -0.000 0.000 0.884 177 R CB 1.079 31.383 30.300 0.007 0.000 1.173 177 R HN 0.703 nan 8.270 nan 0.000 0.464 178 I N 3.852 124.392 120.570 -0.049 0.000 2.362 178 I HA 0.220 4.412 4.170 0.037 0.000 0.289 178 I C 0.014 176.098 176.117 -0.055 0.000 0.994 178 I CA -1.272 59.996 61.300 -0.052 0.000 1.158 178 I CB 1.813 39.730 38.000 -0.138 0.000 1.315 178 I HN 0.225 nan 8.210 nan 0.000 0.451 179 L N 9.082 130.288 121.223 -0.029 0.000 2.385 179 L HA 0.271 4.633 4.340 0.037 0.000 0.281 179 L C -0.400 176.457 176.870 -0.022 0.000 1.106 179 L CA 0.195 55.016 54.840 -0.031 0.000 0.856 179 L CB 0.716 42.765 42.059 -0.017 0.000 1.186 179 L HN 0.305 nan 8.230 nan 0.000 0.453 180 V N 6.815 126.708 119.914 -0.036 0.000 2.347 180 V HA 0.486 4.629 4.120 0.037 0.000 0.280 180 V C -0.270 175.917 176.094 0.154 0.000 1.021 180 V CA -0.595 61.725 62.300 0.034 0.000 0.847 180 V CB 1.182 32.997 31.823 -0.014 0.000 0.990 180 V HN 0.677 nan 8.190 nan 0.000 0.444 181 L N 4.729 126.072 121.223 0.199 0.000 2.408 181 L HA 0.966 5.329 4.340 0.037 0.000 0.268 181 L C -0.259 176.749 176.870 0.230 0.000 0.986 181 L CA -0.352 54.622 54.840 0.222 0.000 0.820 181 L CB 1.880 44.032 42.059 0.156 0.000 1.303 181 L HN 0.738 nan 8.230 nan 0.000 0.411 182 A N 4.741 127.675 122.820 0.190 0.000 2.356 182 A HA 0.813 5.156 4.320 0.037 0.000 0.310 182 A C -1.878 175.743 177.584 0.061 0.000 1.075 182 A CA -0.467 51.621 52.037 0.085 0.000 0.746 182 A CB 1.402 20.337 19.000 -0.109 0.000 1.221 182 A HN 0.833 nan 8.150 nan 0.000 0.443 183 L N 1.765 123.014 121.223 0.044 0.000 2.438 183 L HA 0.755 5.117 4.340 0.037 0.000 0.270 183 L C -1.221 175.603 176.870 -0.076 0.000 0.972 183 L CA -0.028 54.746 54.840 -0.109 0.000 0.831 183 L CB 1.922 43.793 42.059 -0.313 0.000 1.273 183 L HN 0.649 nan 8.230 nan 0.000 0.405 184 E N 4.677 124.834 120.200 -0.072 0.000 2.275 184 E HA 0.510 4.882 4.350 0.037 0.000 0.270 184 E C -1.421 175.184 176.600 0.008 0.000 0.882 184 E CA -0.546 55.864 56.400 0.015 0.000 0.758 184 E CB 2.725 32.420 29.700 -0.009 0.000 1.195 184 E HN 0.383 nan 8.360 nan 0.000 0.419 185 V N 2.614 122.593 119.914 0.109 0.000 2.305 185 V HA 0.110 4.252 4.120 0.037 0.000 0.275 185 V C 0.995 177.164 176.094 0.124 0.000 1.020 185 V CA -0.204 62.143 62.300 0.079 0.000 0.811 185 V CB 0.933 32.786 31.823 0.050 0.000 1.031 185 V HN 0.779 nan 8.190 nan 0.000 0.439 186 S N 1.643 117.399 115.700 0.094 0.000 2.497 186 S HA -0.088 4.404 4.470 0.037 0.000 0.221 186 S C 1.895 176.562 174.600 0.111 0.000 1.037 186 S CA 0.704 58.961 58.200 0.095 0.000 0.920 186 S CB 0.025 63.253 63.200 0.046 0.000 0.800 186 S HN 0.762 nan 8.310 nan 0.000 0.505 187 T N 1.118 115.727 114.554 0.092 0.000 2.962 187 T HA -0.108 4.264 4.350 0.037 0.000 0.270 187 T C 1.908 176.632 174.700 0.040 0.000 1.088 187 T CA 1.673 63.816 62.100 0.072 0.000 1.127 187 T CB -1.442 67.455 68.868 0.049 0.000 0.883 187 T HN 0.609 nan 8.240 nan 0.000 0.493 188 T N -0.288 114.282 114.554 0.027 0.000 3.072 188 T HA 0.175 4.548 4.350 0.037 0.000 0.266 188 T C 1.590 176.316 174.700 0.043 0.000 1.127 188 T CA 0.390 62.491 62.100 0.002 0.000 1.107 188 T CB -0.615 68.249 68.868 -0.007 0.000 0.910 188 T HN 0.382 nan 8.240 nan 0.000 0.513 189 M N 0.695 120.346 119.600 0.084 0.000 2.494 189 M HA 0.276 4.778 4.480 0.037 0.000 0.232 189 M C 2.071 178.421 176.300 0.083 0.000 1.137 189 M CA -0.120 55.238 55.300 0.098 0.000 1.012 189 M CB 0.130 32.828 32.600 0.163 0.000 1.567 189 M HN 0.175 nan 8.290 nan 0.000 0.486 190 V N 0.999 120.955 119.914 0.069 0.000 2.332 190 V HA -0.284 3.858 4.120 0.037 0.000 0.248 190 V C 2.422 178.553 176.094 0.062 0.000 1.055 190 V CA 2.053 64.396 62.300 0.071 0.000 1.038 190 V CB -0.281 31.581 31.823 0.064 0.000 0.651 190 V HN 0.476 nan 8.190 nan 0.000 0.450 191 R N -0.072 120.447 120.500 0.032 0.000 2.092 191 R HA -0.087 4.276 4.340 0.037 0.000 0.231 191 R C 2.647 178.970 176.300 0.038 0.000 1.119 191 R CA 1.597 57.706 56.100 0.016 0.000 0.970 191 R CB -1.219 29.030 30.300 -0.084 0.000 0.864 191 R HN 0.652 nan 8.270 nan 0.000 0.440 192 S N 0.874 116.589 115.700 0.025 0.000 2.356 192 S HA -0.128 4.364 4.470 0.037 0.000 0.223 192 S C 1.715 176.334 174.600 0.031 0.000 1.032 192 S CA 1.052 59.264 58.200 0.020 0.000 1.005 192 S CB 0.077 63.285 63.200 0.012 0.000 0.867 192 S HN 0.202 nan 8.310 nan 0.000 0.449 193 E N 1.140 121.371 120.200 0.051 0.000 2.077 193 E HA -0.057 4.316 4.350 0.037 0.000 0.193 193 E C 2.204 178.812 176.600 0.013 0.000 0.989 193 E CA 0.985 57.416 56.400 0.052 0.000 0.800 193 E CB -0.573 29.178 29.700 0.085 0.000 0.746 193 E HN 0.539 nan 8.360 nan 0.000 0.452 194 L N 0.747 121.981 121.223 0.019 0.000 2.079 194 L HA -0.204 4.158 4.340 0.037 0.000 0.210 194 L C 2.653 179.372 176.870 -0.252 0.000 1.081 194 L CA 1.381 56.187 54.840 -0.056 0.000 0.752 194 L CB -0.357 41.772 42.059 0.117 0.000 0.896 194 L HN 0.176 nan 8.230 nan 0.000 0.433 195 E N -0.173 119.988 120.200 -0.065 0.000 2.077 195 E HA -0.201 4.171 4.350 0.037 0.000 0.193 195 E C 2.217 178.772 176.600 -0.075 0.000 0.989 195 E CA 1.540 57.919 56.400 -0.035 0.000 0.800 195 E CB 0.110 29.854 29.700 0.073 0.000 0.746 195 E HN 0.333 nan 8.360 nan 0.000 0.452 196 S N 0.346 116.020 115.700 -0.044 0.000 2.368 196 S HA -0.123 4.369 4.470 0.037 0.000 0.225 196 S C 1.922 176.494 174.600 -0.047 0.000 1.030 196 S CA 1.103 59.285 58.200 -0.029 0.000 0.999 196 S CB -0.237 62.961 63.200 -0.003 0.000 0.844 196 S HN 0.283 nan 8.310 nan 0.000 0.459 197 I N 1.578 122.106 120.570 -0.071 0.000 2.127 197 I HA -0.256 3.936 4.170 0.037 0.000 0.241 197 I C 2.392 178.451 176.117 -0.096 0.000 1.075 197 I CA 1.748 63.005 61.300 -0.071 0.000 1.334 197 I CB -0.438 37.517 38.000 -0.075 0.000 1.040 197 I HN 0.278 nan 8.210 nan 0.000 0.405 198 D N 0.719 121.006 120.400 -0.189 0.000 2.084 198 D HA -0.189 4.473 4.640 0.037 0.000 0.194 198 D C 2.146 178.410 176.300 -0.061 0.000 0.990 198 D CA 1.700 55.605 54.000 -0.160 0.000 0.826 198 D CB 0.007 40.617 40.800 -0.317 0.000 0.971 198 D HN 0.301 nan 8.370 nan 0.000 0.453 199 A N -0.252 122.539 122.820 -0.048 0.000 1.929 199 A HA 0.018 4.360 4.320 0.037 0.000 0.216 199 A C 2.255 179.835 177.584 -0.007 0.000 1.176 199 A CA 0.943 52.974 52.037 -0.010 0.000 0.628 199 A CB -0.545 18.455 19.000 0.001 0.000 0.816 199 A HN 0.385 nan 8.150 nan 0.000 0.444 200 L N -1.560 119.656 121.223 -0.012 0.000 2.554 200 L HA 0.055 4.417 4.340 0.037 0.000 0.225 200 L C 0.269 177.138 176.870 -0.001 0.000 1.104 200 L CA -0.086 54.752 54.840 -0.003 0.000 0.866 200 L CB -0.080 41.980 42.059 0.000 0.000 1.047 200 L HN 0.287 nan 8.230 nan 0.000 0.468 201 Q N 1.487 121.282 119.800 -0.008 0.000 2.435 201 Q HA -0.203 4.160 4.340 0.037 0.000 0.312 201 Q C -0.083 175.919 176.000 0.003 0.000 1.333 201 Q CA 1.079 56.879 55.803 -0.004 0.000 0.883 201 Q CB -1.655 27.084 28.738 0.002 0.000 1.170 201 Q HN 0.756 nan 8.270 nan 0.000 0.443 202 E N -1.696 118.506 120.200 0.004 0.000 2.202 202 E HA 0.534 4.906 4.350 0.037 0.000 0.272 202 E C -0.025 176.584 176.600 0.015 0.000 0.951 202 E CA -0.651 55.757 56.400 0.014 0.000 0.813 202 E CB 0.904 30.617 29.700 0.021 0.000 1.151 202 E HN 0.147 nan 8.360 nan 0.000 0.398 203 T N 1.254 115.822 114.554 0.023 0.000 2.987 203 T HA 0.245 4.617 4.350 0.037 0.000 0.288 203 T C -0.085 174.637 174.700 0.037 0.000 0.981 203 T CA -0.828 61.288 62.100 0.027 0.000 1.031 203 T CB -0.263 68.624 68.868 0.032 0.000 0.976 203 T HN 0.380 nan 8.240 nan 0.000 0.612 204 R N 3.252 123.775 120.500 0.037 0.000 2.198 204 R HA 0.397 4.759 4.340 0.037 0.000 0.339 204 R C 1.281 177.620 176.300 0.065 0.000 1.020 204 R CA -0.526 55.609 56.100 0.058 0.000 0.864 204 R CB 0.737 31.072 30.300 0.058 0.000 1.105 204 R HN 0.828 nan 8.270 nan 0.000 0.463 205 I N -0.463 120.153 120.570 0.078 0.000 3.793 205 I HA 0.228 4.420 4.170 0.037 0.000 0.315 205 I C 1.497 177.677 176.117 0.106 0.000 1.275 205 I CA 0.151 61.493 61.300 0.070 0.000 1.214 205 I CB 0.390 38.422 38.000 0.054 0.000 1.018 205 I HN 0.587 nan 8.210 nan 0.000 0.439 206 G N 3.442 112.349 108.800 0.178 0.000 2.469 206 G HA2 -0.293 3.689 3.960 0.037 0.000 0.219 206 G HA3 -0.293 3.689 3.960 0.037 0.000 0.219 206 G C 1.584 176.659 174.900 0.292 0.000 1.150 206 G CA 1.528 46.828 45.100 0.333 0.000 0.763 206 G HN 0.752 nan 8.290 nan 0.000 0.561 207 I N -1.411 119.263 120.570 0.173 0.000 2.916 207 I HA 0.244 4.436 4.170 0.037 0.000 0.267 207 I C 2.506 178.668 176.117 0.075 0.000 1.263 207 I CA 1.124 62.501 61.300 0.129 0.000 1.471 207 I CB -0.120 37.936 38.000 0.093 0.000 1.089 207 I HN 0.114 nan 8.210 nan 0.000 0.468 208 A N 1.167 124.014 122.820 0.045 0.000 2.123 208 A HA 0.263 4.605 4.320 0.037 0.000 0.214 208 A C 2.161 179.715 177.584 -0.051 0.000 1.152 208 A CA 0.775 52.807 52.037 -0.010 0.000 0.728 208 A CB -0.215 18.772 19.000 -0.021 0.000 0.814 208 A HN 0.538 nan 8.150 nan 0.000 0.464 209 L N -2.838 118.348 121.223 -0.062 0.000 2.515 209 L HA 0.338 4.700 4.340 0.037 0.000 0.202 209 L C -0.039 176.676 176.870 -0.257 0.000 1.056 209 L CA -0.189 54.513 54.840 -0.232 0.000 0.847 209 L CB -0.071 41.728 42.059 -0.434 0.000 1.131 209 L HN 0.206 nan 8.230 nan 0.000 0.484 210 F N 1.119 121.077 119.950 0.014 0.000 2.399 210 F HA 0.324 4.868 4.527 0.029 0.000 0.342 210 F C 0.838 176.656 175.800 0.030 0.000 1.106 210 F CA -0.372 57.639 58.000 0.019 0.000 1.196 210 F CB 1.323 40.324 39.000 0.001 0.000 1.163 210 F HN -0.035 nan 8.300 nan 0.000 0.547 211 S N 0.491 116.347 115.700 0.259 0.000 2.732 211 S HA 0.668 5.160 4.470 0.037 0.000 0.293 211 S C -1.718 172.997 174.600 0.192 0.000 1.159 211 S CA -1.146 57.167 58.200 0.188 0.000 0.847 211 S CB 2.160 65.457 63.200 0.161 0.000 1.169 211 S HN 0.376 nan 8.310 nan 0.000 0.501 212 D N 0.045 120.551 120.400 0.176 0.000 2.248 212 D HA 0.724 5.386 4.640 0.037 0.000 0.246 212 D C -0.807 175.577 176.300 0.141 0.000 1.027 212 D CA -0.122 53.950 54.000 0.121 0.000 0.853 212 D CB 1.524 42.371 40.800 0.079 0.000 1.243 212 D HN 0.757 nan 8.370 nan 0.000 0.462 213 C N 1.219 120.519 119.300 -0.000 0.000 3.275 213 C HA 0.760 5.243 4.460 0.037 0.000 0.345 213 C C -1.665 173.209 174.990 -0.194 0.000 1.257 213 C CA -0.311 58.602 59.018 -0.175 0.000 1.203 213 C CB 0.847 28.390 27.740 -0.329 0.000 1.492 213 C HN 0.755 nan 8.230 nan 0.000 0.484 214 A N 2.660 125.336 122.820 -0.241 0.000 2.386 214 A HA 0.991 5.333 4.320 0.037 0.000 0.311 214 A C -0.472 177.027 177.584 -0.143 0.000 1.068 214 A CA 0.243 52.191 52.037 -0.150 0.000 0.743 214 A CB 1.598 20.534 19.000 -0.107 0.000 1.258 214 A HN 2.111 nan 8.150 nan 0.000 0.429 215 S N 0.011 115.694 115.700 -0.028 0.000 2.556 215 S HA 0.922 5.414 4.470 0.037 0.000 0.271 215 S C -0.632 174.104 174.600 0.226 0.000 1.135 215 S CA -0.113 58.125 58.200 0.064 0.000 0.858 215 S CB 1.657 64.912 63.200 0.092 0.000 1.114 215 S HN 2.361 nan 8.310 nan 0.000 0.468 216 A N 0.884 123.802 122.820 0.163 0.000 2.572 216 A HA 0.910 5.253 4.320 0.037 0.000 0.295 216 A C -0.555 176.925 177.584 -0.174 0.000 1.072 216 A CA -0.483 51.597 52.037 0.072 0.000 0.691 216 A CB 1.430 20.451 19.000 0.035 0.000 1.291 216 A HN 2.162 nan 8.150 nan 0.000 0.404 217 V N -0.758 118.926 119.914 -0.384 0.000 3.040 217 V HA 0.796 4.939 4.120 0.037 0.000 0.312 217 V C -0.941 175.012 176.094 -0.235 0.000 1.115 217 V CA -1.006 61.056 62.300 -0.396 0.000 0.998 217 V CB 1.832 33.251 31.823 -0.674 0.000 1.042 217 V HN 0.684 nan 8.190 nan 0.000 0.433 218 I N 3.636 124.108 120.570 -0.163 0.000 2.321 218 I HA 0.468 4.661 4.170 0.037 0.000 0.291 218 I C -0.437 175.610 176.117 -0.117 0.000 0.998 218 I CA -0.378 60.853 61.300 -0.114 0.000 1.227 218 I CB 1.218 39.174 38.000 -0.073 0.000 1.368 218 I HN 0.626 nan 8.210 nan 0.000 0.466 219 L N 6.349 127.501 121.223 -0.117 0.000 2.287 219 L HA 0.445 4.807 4.340 0.037 0.000 0.287 219 L C 0.115 176.935 176.870 -0.083 0.000 1.022 219 L CA 0.293 55.070 54.840 -0.106 0.000 0.814 219 L CB 1.457 43.436 42.059 -0.134 0.000 1.217 219 L HN 0.637 nan 8.230 nan 0.000 0.420 220 S N 2.676 118.342 115.700 -0.056 0.000 2.537 220 S HA 0.415 4.907 4.470 0.037 0.000 0.301 220 S C 0.628 175.213 174.600 -0.025 0.000 1.092 220 S CA -0.629 57.549 58.200 -0.037 0.000 1.048 220 S CB 0.907 64.094 63.200 -0.022 0.000 1.053 220 S HN 0.777 nan 8.310 nan 0.000 0.501 221 N N 2.442 121.134 118.700 -0.013 0.000 2.322 221 N HA 0.177 4.939 4.740 0.037 0.000 0.194 221 N C 1.196 176.717 175.510 0.018 0.000 1.126 221 N CA 0.796 53.850 53.050 0.007 0.000 0.845 221 N CB -0.240 38.257 38.487 0.017 0.000 0.976 221 N HN 1.046 nan 8.380 nan 0.000 0.475 222 G N 0.470 109.277 108.800 0.012 0.000 2.245 222 G HA2 -0.311 3.671 3.960 0.037 0.000 0.264 222 G HA3 -0.311 3.671 3.960 0.037 0.000 0.264 222 G C 0.026 174.936 174.900 0.017 0.000 0.985 222 G CA 0.436 45.543 45.100 0.012 0.000 0.625 222 G HN 0.442 nan 8.290 nan 0.000 0.536 223 I N 1.237 121.822 120.570 0.026 0.000 2.556 223 I HA 0.390 4.582 4.170 0.037 0.000 0.284 223 I C 1.719 177.852 176.117 0.026 0.000 1.114 223 I CA 1.404 62.721 61.300 0.028 0.000 1.418 223 I CB 0.751 38.774 38.000 0.039 0.000 1.394 223 I HN 0.865 nan 8.210 nan 0.000 0.552 224 G N 4.061 112.872 108.800 0.018 0.000 2.179 224 G HA2 -0.199 3.784 3.960 0.037 0.000 0.260 224 G HA3 -0.199 3.784 3.960 0.037 0.000 0.260 224 G C 0.075 174.981 174.900 0.010 0.000 0.977 224 G CA -0.437 44.672 45.100 0.015 0.000 0.641 224 G HN 0.630 nan 8.290 nan 0.000 0.533 225 E N 0.565 120.769 120.200 0.008 0.000 2.249 225 E HA 0.583 4.956 4.350 0.037 0.000 0.280 225 E C 0.704 177.305 176.600 0.001 0.000 1.016 225 E CA 0.080 56.481 56.400 0.003 0.000 0.830 225 E CB 1.632 31.333 29.700 0.001 0.000 1.081 225 E HN 0.651 nan 8.360 nan 0.000 0.395 226 A N 4.502 127.321 122.820 -0.001 0.000 2.483 226 A HA 0.268 4.611 4.320 0.037 0.000 0.238 226 A C -2.050 175.532 177.584 -0.003 0.000 1.070 226 A CA -0.949 51.086 52.037 -0.002 0.000 0.770 226 A CB -0.516 18.482 19.000 -0.004 0.000 1.008 226 A HN 0.324 nan 8.150 nan 0.000 0.497 227 P HA 0.282 nan 4.420 nan 0.000 0.266 227 P C 0.862 178.158 177.300 -0.006 0.000 1.195 227 P CA 1.708 64.806 63.100 -0.004 0.000 0.768 227 P CB 0.478 32.176 31.700 -0.003 0.000 0.838 228 G N 0.891 109.687 108.800 -0.008 0.000 2.147 228 G HA2 -0.273 3.709 3.960 0.037 0.000 0.244 228 G HA3 -0.273 3.709 3.960 0.037 0.000 0.244 228 G C 0.157 175.048 174.900 -0.015 0.000 1.005 228 G CA -0.037 45.056 45.100 -0.011 0.000 0.713 228 G HN 0.648 nan 8.290 nan 0.000 0.515 229 K N 1.289 121.681 120.400 -0.014 0.000 2.368 229 K HA 0.516 4.858 4.320 0.037 0.000 0.282 229 K C -1.533 175.052 176.600 -0.024 0.000 1.035 229 K CA -1.357 54.920 56.287 -0.017 0.000 0.973 229 K CB 0.423 32.914 32.500 -0.014 0.000 0.957 229 K HN 0.169 nan 8.250 nan 0.000 0.474 230 P HA 0.289 nan 4.420 nan 0.000 0.272 230 P C -1.498 175.775 177.300 -0.046 0.000 1.223 230 P CA -0.499 62.577 63.100 -0.041 0.000 0.784 230 P CB 1.491 33.166 31.700 -0.042 0.000 0.923 231 A N 1.020 123.802 122.820 -0.062 0.000 2.594 231 A HA 0.560 4.903 4.320 0.037 0.000 0.291 231 A C 0.316 177.829 177.584 -0.119 0.000 1.105 231 A CA -0.523 51.472 52.037 -0.069 0.000 0.694 231 A CB 0.542 19.514 19.000 -0.046 0.000 1.291 231 A HN 0.351 nan 8.150 nan 0.000 0.410 232 I N -0.694 119.785 120.570 -0.153 0.000 2.556 232 I HA 0.150 4.342 4.170 0.037 0.000 0.251 232 I C -0.255 175.560 176.117 -0.504 0.000 1.105 232 I CA 1.064 62.161 61.300 -0.338 0.000 1.436 232 I CB -0.140 37.652 38.000 -0.347 0.000 1.139 232 I HN 0.564 nan 8.210 nan 0.000 0.438 233 Y N 0.058 120.322 120.300 -0.059 0.000 2.512 233 Y HA 0.438 5.010 4.550 0.037 0.000 0.348 233 Y C -0.701 175.167 175.900 -0.054 0.000 0.990 233 Y CA -1.592 56.471 58.100 -0.062 0.000 1.033 233 Y CB 1.118 39.547 38.460 -0.051 0.000 1.259 233 Y HN -0.122 nan 8.280 nan 0.000 0.461 234 D N 2.340 122.807 120.400 0.112 0.000 2.177 234 D HA 0.252 4.914 4.640 0.037 0.000 0.247 234 D C -1.032 175.322 176.300 0.090 0.000 1.063 234 D CA -0.459 53.584 54.000 0.071 0.000 0.867 234 D CB 2.515 43.334 40.800 0.033 0.000 1.168 234 D HN 0.307 nan 8.370 nan 0.000 0.445 235 L N 3.182 124.460 121.223 0.092 0.000 2.260 235 L HA 0.198 4.561 4.340 0.037 0.000 0.289 235 L C 0.261 177.228 176.870 0.163 0.000 1.057 235 L CA 0.063 54.978 54.840 0.125 0.000 0.811 235 L CB 0.506 42.641 42.059 0.125 0.000 1.184 235 L HN 0.421 nan 8.230 nan 0.000 0.429 236 L N 4.471 125.769 121.223 0.125 0.000 2.357 236 L HA 0.525 4.887 4.340 0.037 0.000 0.211 236 L C 1.003 177.835 176.870 -0.063 0.000 1.075 236 L CA 0.441 55.314 54.840 0.054 0.000 0.830 236 L CB -0.072 42.019 42.059 0.053 0.000 0.996 236 L HN 0.788 nan 8.230 nan 0.000 0.467 237 G N -1.021 107.758 108.800 -0.035 0.000 2.506 237 G HA2 0.422 4.404 3.960 0.037 0.000 0.292 237 G HA3 0.422 4.404 3.960 0.037 0.000 0.292 237 G C -2.619 172.276 174.900 -0.007 0.000 1.425 237 G CA -0.452 44.442 45.100 -0.343 0.000 0.788 237 G HN 0.095 nan 8.290 nan 0.000 0.490 238 W N -0.802 120.454 121.300 -0.074 0.000 3.248 238 W HA 0.834 5.517 4.660 0.038 0.000 0.311 238 W C -1.111 175.366 176.519 -0.072 0.000 1.258 238 W CA -1.077 56.221 57.345 -0.078 0.000 1.191 238 W CB 1.348 30.770 29.460 -0.063 0.000 1.389 238 W HN 0.488 nan 8.180 nan 0.000 0.561 239 E N 2.486 122.778 120.200 0.153 0.000 2.293 239 E HA 0.349 4.721 4.350 0.037 0.000 0.270 239 E C -1.100 175.562 176.600 0.103 0.000 0.879 239 E CA -0.890 55.560 56.400 0.084 0.000 0.756 239 E CB 2.354 32.057 29.700 0.005 0.000 1.208 239 E HN 0.550 nan 8.360 nan 0.000 0.428 240 N N 1.509 120.267 118.700 0.096 0.000 2.260 240 N HA 0.473 5.235 4.740 0.037 0.000 0.293 240 N C -0.666 174.878 175.510 0.057 0.000 1.058 240 N CA -0.681 52.408 53.050 0.066 0.000 0.824 240 N CB 2.499 41.026 38.487 0.067 0.000 1.551 240 N HN 0.240 nan 8.380 nan 0.000 0.475 241 R N 0.859 121.392 120.500 0.055 0.000 2.740 241 R HA 0.493 4.856 4.340 0.037 0.000 0.273 241 R C -1.232 175.107 176.300 0.065 0.000 0.998 241 R CA -0.832 55.304 56.100 0.060 0.000 0.900 241 R CB 2.449 32.791 30.300 0.070 0.000 1.223 241 R HN 0.405 nan 8.270 nan 0.000 0.466 242 V N 3.665 123.614 119.914 0.058 0.000 2.398 242 V HA 0.416 4.558 4.120 0.037 0.000 0.286 242 V C 0.536 176.665 176.094 0.059 0.000 1.026 242 V CA -0.727 61.608 62.300 0.059 0.000 0.868 242 V CB 1.667 33.519 31.823 0.048 0.000 0.982 242 V HN 0.552 nan 8.190 nan 0.000 0.443 243 I N 7.497 128.105 120.570 0.063 0.000 2.452 243 I HA 0.210 4.402 4.170 0.037 0.000 0.287 243 I C -2.050 174.091 176.117 0.041 0.000 1.079 243 I CA -1.464 59.866 61.300 0.050 0.000 1.387 243 I CB 1.015 39.039 38.000 0.040 0.000 1.404 243 I HN 0.413 nan 8.210 nan 0.000 0.522 244 P HA 0.034 nan 4.420 nan 0.000 0.269 244 P C -0.615 176.716 177.300 0.051 0.000 1.209 244 P CA 0.025 63.151 63.100 0.043 0.000 0.776 244 P CB 0.321 32.044 31.700 0.039 0.000 0.876 245 D N 0.434 120.874 120.400 0.067 0.000 2.689 245 D HA -0.134 4.528 4.640 0.037 0.000 0.237 245 D C 0.021 176.404 176.300 0.137 0.000 1.148 245 D CA 1.494 55.559 54.000 0.107 0.000 0.656 245 D CB -1.664 39.194 40.800 0.098 0.000 1.050 245 D HN 0.524 nan 8.370 nan 0.000 0.426 246 S N -2.506 113.233 115.700 0.065 0.000 2.900 246 S HA 0.225 4.717 4.470 0.037 0.000 0.253 246 S C 1.239 175.792 174.600 -0.078 0.000 1.029 246 S CA -0.508 57.652 58.200 -0.068 0.000 1.096 246 S CB 0.760 63.923 63.200 -0.062 0.000 1.067 246 S HN 0.045 nan 8.310 nan 0.000 0.610 247 E N 2.671 122.905 120.200 0.056 0.000 2.097 247 E HA -0.214 4.159 4.350 0.037 0.000 0.196 247 E C 1.882 178.521 176.600 0.066 0.000 1.000 247 E CA 1.935 58.379 56.400 0.074 0.000 0.804 247 E CB -0.477 29.293 29.700 0.116 0.000 0.740 247 E HN 0.888 nan 8.360 nan 0.000 0.454 248 H N -0.212 118.878 119.070 0.033 0.000 2.559 248 H HA 0.056 4.635 4.556 0.037 0.000 0.273 248 H C 0.521 175.870 175.328 0.036 0.000 1.000 248 H CA 1.027 57.095 56.048 0.034 0.000 1.195 248 H CB 0.081 29.860 29.762 0.027 0.000 1.368 248 H HN 0.164 nan 8.280 nan 0.000 0.592 249 D N 0.576 120.753 120.400 -0.372 0.000 2.305 249 D HA 0.084 4.746 4.640 0.037 0.000 0.206 249 D C 0.096 176.348 176.300 -0.081 0.000 0.974 249 D CA 0.264 54.109 54.000 -0.258 0.000 0.871 249 D CB 0.725 41.339 40.800 -0.311 0.000 0.947 249 D HN 0.239 nan 8.370 nan 0.000 0.516 250 L N -0.307 120.895 121.223 -0.035 0.000 2.588 250 L HA 0.556 4.918 4.340 0.037 0.000 0.263 250 L C -0.689 176.209 176.870 0.047 0.000 0.935 250 L CA -0.154 54.696 54.840 0.017 0.000 0.891 250 L CB 1.944 44.010 42.059 0.011 0.000 1.318 250 L HN 0.005 nan 8.230 nan 0.000 0.409 251 G N 2.609 111.457 108.800 0.081 0.000 2.495 251 G HA2 0.589 4.571 3.960 0.037 0.000 0.294 251 G HA3 0.589 4.571 3.960 0.037 0.000 0.294 251 G C -2.332 172.710 174.900 0.237 0.000 1.397 251 G CA -0.438 44.738 45.100 0.126 0.000 0.790 251 G HN 0.349 nan 8.290 nan 0.000 0.486 252 F N 1.625 121.592 119.950 0.029 0.000 3.164 252 F HA 0.395 4.941 4.527 0.032 0.000 0.375 252 F C -1.416 174.499 175.800 0.193 0.000 1.257 252 F CA -1.549 56.485 58.000 0.056 0.000 1.171 252 F CB 1.615 40.571 39.000 -0.074 0.000 1.588 252 F HN 0.241 nan 8.300 nan 0.000 0.604 253 D N 3.890 124.373 120.400 0.138 0.000 2.232 253 D HA 0.234 4.896 4.640 0.037 0.000 0.242 253 D C -0.028 176.228 176.300 -0.074 0.000 1.093 253 D CA -0.070 53.974 54.000 0.073 0.000 0.845 253 D CB 2.932 43.754 40.800 0.036 0.000 1.124 253 D HN 0.260 nan 8.370 nan 0.000 0.467 254 V N 2.165 122.010 119.914 -0.116 0.000 2.901 254 V HA 0.020 4.163 4.120 0.037 0.000 0.307 254 V C -0.067 175.772 176.094 -0.426 0.000 1.084 254 V CA 0.885 62.855 62.300 -0.551 0.000 1.184 254 V CB 1.138 32.737 31.823 -0.373 0.000 0.941 254 V HN 0.657 nan 8.190 nan 0.000 0.493 255 D N 4.267 124.333 120.400 -0.557 0.000 2.717 255 D HA 0.485 5.147 4.640 0.037 0.000 0.223 255 D C -2.147 173.939 176.300 -0.357 0.000 1.240 255 D CA -0.866 52.922 54.000 -0.353 0.000 0.801 255 D CB 2.263 42.893 40.800 -0.284 0.000 1.556 255 D HN 0.261 nan 8.370 nan 0.000 0.462 256 P HA -0.102 nan 4.420 nan 0.000 0.223 256 P C 0.890 178.075 177.300 -0.191 0.000 1.144 256 P CA 1.094 64.075 63.100 -0.198 0.000 0.783 256 P CB 0.101 31.723 31.700 -0.131 0.000 0.771 257 M N -1.681 117.804 119.600 -0.191 0.000 2.453 257 M HA 0.273 4.775 4.480 0.037 0.000 0.239 257 M C 1.081 177.275 176.300 -0.177 0.000 1.151 257 M CA 0.360 55.572 55.300 -0.146 0.000 0.989 257 M CB 0.380 32.922 32.600 -0.095 0.000 1.548 257 M HN 0.048 nan 8.290 nan 0.000 0.479 258 G N 0.545 109.136 108.800 -0.349 0.000 2.637 258 G HA2 -0.145 3.838 3.960 0.037 0.000 0.211 258 G HA3 -0.145 3.838 3.960 0.037 0.000 0.211 258 G C -1.640 172.777 174.900 -0.805 0.000 1.213 258 G CA -0.841 43.985 45.100 -0.457 0.000 1.207 258 G HN 0.373 nan 8.290 nan 0.000 0.559 259 W N 1.405 122.432 121.300 -0.456 0.000 2.839 259 W HA 0.605 5.284 4.660 0.031 0.000 0.334 259 W C -0.421 175.727 176.519 -0.620 0.000 1.064 259 W CA -0.823 56.036 57.345 -0.810 0.000 1.236 259 W CB 2.096 30.448 29.460 -1.847 0.000 1.405 259 W HN 0.216 nan 8.180 nan 0.000 0.478 260 K N 2.519 122.817 120.400 -0.169 0.000 2.211 260 K HA 0.332 4.675 4.320 0.037 0.000 0.275 260 K C -0.135 176.600 176.600 0.225 0.000 1.024 260 K CA -0.754 55.555 56.287 0.037 0.000 0.887 260 K CB 2.173 34.681 32.500 0.012 0.000 1.084 260 K HN 0.173 nan 8.250 nan 0.000 0.463 261 V N 3.339 123.459 119.914 0.344 0.000 2.599 261 V HA 0.012 4.154 4.120 0.037 0.000 0.300 261 V C 0.355 176.573 176.094 0.206 0.000 1.034 261 V CA -0.267 62.237 62.300 0.341 0.000 1.115 261 V CB 0.952 32.908 31.823 0.220 0.000 0.934 261 V HN 0.360 nan 8.190 nan 0.000 0.485 262 V N 6.652 126.676 119.914 0.184 0.000 2.417 262 V HA 0.585 4.728 4.120 0.037 0.000 0.291 262 V C -0.418 175.736 176.094 0.099 0.000 1.024 262 V CA -0.526 61.849 62.300 0.124 0.000 0.861 262 V CB 1.478 33.370 31.823 0.114 0.000 0.985 262 V HN 0.636 nan 8.190 nan 0.000 0.436 263 L N 5.511 126.783 121.223 0.082 0.000 2.580 263 L HA 0.622 4.984 4.340 0.037 0.000 0.266 263 L C -0.102 176.793 176.870 0.043 0.000 0.955 263 L CA 0.088 54.967 54.840 0.064 0.000 0.886 263 L CB 2.104 44.218 42.059 0.091 0.000 1.263 263 L HN 0.748 nan 8.230 nan 0.000 0.406 264 S N 4.610 120.317 115.700 0.013 0.000 2.687 264 S HA 0.736 5.229 4.470 0.037 0.000 0.283 264 S C -1.913 172.686 174.600 -0.002 0.000 1.170 264 S CA -0.956 57.248 58.200 0.008 0.000 1.008 264 S CB 1.325 64.514 63.200 -0.018 0.000 1.026 264 S HN 0.622 nan 8.310 nan 0.000 0.541 265 P HA -0.002 nan 4.420 nan 0.000 0.230 265 P C 0.852 178.138 177.300 -0.023 0.000 1.158 265 P CA 0.660 63.758 63.100 -0.004 0.000 0.769 265 P CB -0.002 31.701 31.700 0.006 0.000 0.807 266 R N -0.341 120.140 120.500 -0.032 0.000 2.148 266 R HA -0.008 4.355 4.340 0.037 0.000 0.223 266 R C 2.202 178.455 176.300 -0.079 0.000 1.088 266 R CA 0.647 56.716 56.100 -0.050 0.000 0.985 266 R CB -0.939 29.326 30.300 -0.057 0.000 0.880 266 R HN 0.073 nan 8.270 nan 0.000 0.451 267 V N 1.873 121.737 119.914 -0.083 0.000 2.252 267 V HA -0.201 3.941 4.120 0.037 0.000 0.249 267 V C -0.812 175.188 176.094 -0.156 0.000 1.056 267 V CA 1.976 64.208 62.300 -0.113 0.000 1.022 267 V CB -1.218 30.556 31.823 -0.081 0.000 0.641 267 V HN 0.243 nan 8.190 nan 0.000 0.445 268 P HA -0.083 nan 4.420 nan 0.000 0.217 268 P C 1.915 179.121 177.300 -0.157 0.000 1.150 268 P CA 1.146 64.154 63.100 -0.153 0.000 0.832 268 P CB -0.078 31.559 31.700 -0.105 0.000 0.787 269 V N -0.462 119.382 119.914 -0.117 0.000 2.307 269 V HA -0.211 3.931 4.120 0.037 0.000 0.245 269 V C 2.476 178.501 176.094 -0.114 0.000 1.045 269 V CA 1.616 63.858 62.300 -0.098 0.000 1.024 269 V CB -1.218 30.566 31.823 -0.065 0.000 0.651 269 V HN 0.041 nan 8.190 nan 0.000 0.449 270 L N 0.030 121.177 121.223 -0.126 0.000 2.046 270 L HA -0.148 4.214 4.340 0.037 0.000 0.208 270 L C 2.736 179.486 176.870 -0.199 0.000 1.077 270 L CA 1.578 56.343 54.840 -0.126 0.000 0.747 270 L CB -0.855 41.137 42.059 -0.112 0.000 0.896 270 L HN 0.353 nan 8.230 nan 0.000 0.432 271 A N 0.216 122.821 122.820 -0.358 0.000 1.858 271 A HA -0.267 4.076 4.320 0.037 0.000 0.216 271 A C 2.409 179.731 177.584 -0.436 0.000 1.190 271 A CA 2.053 53.649 52.037 -0.735 0.000 0.617 271 A CB -0.531 17.820 19.000 -1.081 0.000 0.827 271 A HN 0.324 nan 8.150 nan 0.000 0.443 272 K N -0.322 119.919 120.400 -0.266 0.000 2.074 272 K HA -0.155 4.188 4.320 0.037 0.000 0.209 272 K C 2.058 178.619 176.600 -0.066 0.000 1.048 272 K CA 1.413 57.620 56.287 -0.133 0.000 0.926 272 K CB -0.343 32.089 32.500 -0.114 0.000 0.713 272 K HN 0.379 nan 8.250 nan 0.000 0.444 273 A N 0.654 123.434 122.820 -0.067 0.000 2.015 273 A HA -0.124 4.219 4.320 0.037 0.000 0.219 273 A C 2.001 179.598 177.584 0.022 0.000 1.163 273 A CA 1.925 53.949 52.037 -0.022 0.000 0.646 273 A CB -0.504 18.480 19.000 -0.026 0.000 0.806 273 A HN 0.563 nan 8.150 nan 0.000 0.448 274 S N -0.574 115.151 115.700 0.041 0.000 2.496 274 S HA 0.084 4.576 4.470 0.037 0.000 0.224 274 S C 1.742 176.460 174.600 0.196 0.000 0.996 274 S CA 0.722 58.999 58.200 0.128 0.000 0.927 274 S CB -0.536 62.778 63.200 0.191 0.000 0.774 274 S HN 0.440 nan 8.310 nan 0.000 0.524 275 L N 0.880 122.222 121.223 0.198 0.000 1.976 275 L HA -0.158 4.205 4.340 0.037 0.000 0.209 275 L C 3.041 180.043 176.870 0.220 0.000 1.071 275 L CA 1.718 56.703 54.840 0.241 0.000 0.746 275 L CB -0.765 41.397 42.059 0.172 0.000 0.890 275 L HN 0.303 nan 8.230 nan 0.000 0.432 276 Q N -0.224 119.661 119.800 0.142 0.000 2.030 276 Q HA -0.184 4.178 4.340 0.037 0.000 0.204 276 Q C -0.406 175.715 176.000 0.202 0.000 0.986 276 Q CA 1.929 57.827 55.803 0.157 0.000 0.843 276 Q CB -1.557 27.231 28.738 0.083 0.000 0.904 276 Q HN 0.402 nan 8.270 nan 0.000 0.420 277 P HA -0.085 nan 4.420 nan 0.000 0.217 277 P C 0.908 178.277 177.300 0.115 0.000 1.150 277 P CA 1.406 64.575 63.100 0.114 0.000 0.832 277 P CB -0.027 31.724 31.700 0.085 0.000 0.787 278 T N -1.469 113.171 114.554 0.143 0.000 2.812 278 T HA -0.184 4.189 4.350 0.037 0.000 0.264 278 T C 1.662 176.429 174.700 0.111 0.000 1.042 278 T CA 1.102 63.272 62.100 0.117 0.000 1.140 278 T CB -1.172 67.777 68.868 0.134 0.000 0.870 278 T HN 0.096 nan 8.240 nan 0.000 0.445 279 Y N 2.392 122.733 120.300 0.068 0.000 2.128 279 Y HA -0.099 4.474 4.550 0.037 0.000 0.284 279 Y C 2.543 178.450 175.900 0.011 0.000 1.154 279 Y CA 1.110 59.238 58.100 0.047 0.000 1.149 279 Y CB -0.708 37.856 38.460 0.173 0.000 0.976 279 Y HN 0.174 nan 8.280 nan 0.000 0.505 280 A N 0.213 123.067 122.820 0.056 0.000 1.908 280 A HA -0.206 4.136 4.320 0.037 0.000 0.218 280 A C 1.925 179.435 177.584 -0.124 0.000 1.181 280 A CA 2.082 54.092 52.037 -0.045 0.000 0.627 280 A CB -0.859 18.192 19.000 0.085 0.000 0.818 280 A HN 0.574 nan 8.150 nan 0.000 0.445 281 D N -0.587 119.766 120.400 -0.077 0.000 2.117 281 D HA -0.099 4.564 4.640 0.037 0.000 0.198 281 D C 1.883 178.096 176.300 -0.146 0.000 0.982 281 D CA 1.200 55.149 54.000 -0.086 0.000 0.828 281 D CB -0.416 40.359 40.800 -0.041 0.000 0.967 281 D HN 0.347 nan 8.370 nan 0.000 0.464 282 L N 0.543 121.656 121.223 -0.185 0.000 1.989 282 L HA -0.145 4.217 4.340 0.037 0.000 0.211 282 L C 2.128 178.819 176.870 -0.300 0.000 1.071 282 L CA 1.422 56.120 54.840 -0.237 0.000 0.749 282 L CB -0.642 41.266 42.059 -0.251 0.000 0.890 282 L HN 0.011 nan 8.230 nan 0.000 0.431 283 L N -0.693 120.275 121.223 -0.424 0.000 2.056 283 L HA -0.140 4.222 4.340 0.037 0.000 0.207 283 L C 2.745 179.483 176.870 -0.220 0.000 1.078 283 L CA 2.048 56.652 54.840 -0.394 0.000 0.749 283 L CB -0.822 40.884 42.059 -0.589 0.000 0.901 283 L HN 0.607 nan 8.230 nan 0.000 0.433 284 S N -1.491 114.099 115.700 -0.183 0.000 2.402 284 S HA -0.171 4.322 4.470 0.037 0.000 0.229 284 S C 2.102 176.635 174.600 -0.112 0.000 1.021 284 S CA 1.085 59.217 58.200 -0.114 0.000 0.974 284 S CB -1.105 62.045 63.200 -0.083 0.000 0.800 284 S HN 0.654 nan 8.310 nan 0.000 0.484 285 S N 2.313 117.929 115.700 -0.139 0.000 2.423 285 S HA -0.010 4.482 4.470 0.037 0.000 0.231 285 S C 1.339 175.853 174.600 -0.142 0.000 1.014 285 S CA 0.937 59.051 58.200 -0.144 0.000 0.965 285 S CB -0.690 62.400 63.200 -0.183 0.000 0.785 285 S HN 0.748 nan 8.310 nan 0.000 0.495 286 L N -0.251 120.886 121.223 -0.144 0.000 3.333 286 L HA 0.447 4.810 4.340 0.037 0.000 0.299 286 L C 1.640 178.451 176.870 -0.098 0.000 1.256 286 L CA -0.339 54.427 54.840 -0.122 0.000 1.037 286 L CB -0.774 41.203 42.059 -0.136 0.000 1.423 286 L HN 0.267 nan 8.230 nan 0.000 0.605 287 Q N -0.333 119.414 119.800 -0.088 0.000 2.181 287 Q HA -0.190 4.172 4.340 0.037 0.000 0.205 287 Q C 0.579 176.552 176.000 -0.046 0.000 0.980 287 Q CA 1.932 57.699 55.803 -0.059 0.000 0.862 287 Q CB -0.448 28.263 28.738 -0.044 0.000 0.905 287 Q HN 0.450 nan 8.270 nan 0.000 0.429 288 D N 1.142 121.515 120.400 -0.045 0.000 2.264 288 D HA -0.117 4.545 4.640 0.037 0.000 0.208 288 D C 1.625 177.907 176.300 -0.029 0.000 0.966 288 D CA 1.028 55.009 54.000 -0.032 0.000 0.864 288 D CB -0.023 40.760 40.800 -0.030 0.000 0.933 288 D HN 0.505 nan 8.370 nan 0.000 0.499 289 Q N -0.351 119.425 119.800 -0.041 0.000 2.389 289 Q HA 0.125 4.488 4.340 0.037 0.000 0.204 289 Q C 0.430 176.402 176.000 -0.046 0.000 0.944 289 Q CA 0.310 56.096 55.803 -0.027 0.000 0.908 289 Q CB 0.559 29.284 28.738 -0.022 0.000 1.002 289 Q HN 0.250 nan 8.270 nan 0.000 0.493 290 L N 1.940 123.104 121.223 -0.099 0.000 2.325 290 L HA 0.399 4.761 4.340 0.037 0.000 0.279 290 L C -2.130 174.696 176.870 -0.073 0.000 1.054 290 L CA -2.310 52.409 54.840 -0.201 0.000 0.804 290 L CB 0.494 42.404 42.059 -0.247 0.000 1.200 290 L HN -0.122 nan 8.230 nan 0.000 0.436 291 P HA 0.050 nan 4.420 nan 0.000 0.271 291 P C 0.607 177.939 177.300 0.054 0.000 1.244 291 P CA -0.396 62.745 63.100 0.069 0.000 0.793 291 P CB 0.547 32.357 31.700 0.183 0.000 0.984 292 S N -0.890 114.830 115.700 0.033 0.000 2.419 292 S HA -0.153 4.340 4.470 0.037 0.000 0.233 292 S C 1.580 176.152 174.600 -0.046 0.000 1.016 292 S CA 1.368 59.568 58.200 0.001 0.000 0.974 292 S CB -1.441 61.758 63.200 -0.002 0.000 0.786 292 S HN 0.529 nan 8.310 nan 0.000 0.492 293 S N -0.366 115.287 115.700 -0.078 0.000 2.607 293 S HA 0.132 4.625 4.470 0.037 0.000 0.224 293 S C -0.205 174.011 174.600 -0.641 0.000 0.969 293 S CA -0.293 57.732 58.200 -0.291 0.000 0.927 293 S CB -0.669 62.351 63.200 -0.301 0.000 0.772 293 S HN 0.621 nan 8.310 nan 0.000 0.533 294 Y N 1.211 121.383 120.300 -0.213 0.000 2.748 294 Y HA 0.496 5.068 4.550 0.037 0.000 0.359 294 Y C 1.037 176.814 175.900 -0.205 0.000 1.030 294 Y CA -0.678 57.151 58.100 -0.451 0.000 1.169 294 Y CB 0.733 38.825 38.460 -0.613 0.000 1.127 294 Y HN 0.160 nan 8.280 nan 0.000 0.644 295 Q N 1.064 120.861 119.800 -0.005 0.000 2.313 295 Q HA 0.139 4.501 4.340 0.037 0.000 0.263 295 Q C 0.039 176.218 176.000 0.298 0.000 0.820 295 Q CA 0.157 56.049 55.803 0.147 0.000 0.974 295 Q CB 1.255 30.032 28.738 0.064 0.000 1.156 295 Q HN 0.562 nan 8.270 nan 0.000 0.517 296 K N -0.660 119.914 120.400 0.289 0.000 2.340 296 K HA 0.439 4.781 4.320 0.037 0.000 0.244 296 K C -2.540 174.374 176.600 0.525 0.000 0.973 296 K CA -1.784 54.718 56.287 0.359 0.000 0.828 296 K CB 2.095 34.697 32.500 0.170 0.000 1.226 296 K HN -0.352 nan 8.250 nan 0.000 0.437 297 P HA -0.274 nan 4.420 nan 0.000 0.216 297 P C 1.065 178.710 177.300 0.575 0.000 1.157 297 P CA 2.223 65.569 63.100 0.410 0.000 0.880 297 P CB -0.046 31.590 31.700 -0.108 0.000 0.791 298 A N -0.672 122.293 122.820 0.242 0.000 2.172 298 A HA -0.174 4.168 4.320 0.037 0.000 0.216 298 A C 1.733 179.551 177.584 0.390 0.000 1.154 298 A CA 1.579 53.743 52.037 0.211 0.000 0.701 298 A CB -1.166 17.865 19.000 0.052 0.000 0.789 298 A HN 0.105 nan 8.150 nan 0.000 0.465 299 D N -0.958 119.579 120.400 0.229 0.000 2.269 299 D HA 0.048 4.710 4.640 0.037 0.000 0.208 299 D C 0.039 176.322 176.300 -0.028 0.000 0.963 299 D CA 0.670 54.615 54.000 -0.092 0.000 0.864 299 D CB -0.065 40.472 40.800 -0.439 0.000 0.936 299 D HN 0.471 nan 8.370 nan 0.000 0.505 300 F N 0.811 121.047 119.950 0.476 0.000 2.440 300 F HA 0.270 4.819 4.527 0.037 0.000 0.328 300 F C 0.987 177.072 175.800 0.475 0.000 1.070 300 F CA -1.090 57.178 58.000 0.447 0.000 1.011 300 F CB 0.892 40.020 39.000 0.214 0.000 1.226 300 F HN -0.386 nan 8.300 nan 0.000 0.491 301 D N 0.342 121.052 120.400 0.516 0.000 2.304 301 D HA 0.135 4.797 4.640 0.037 0.000 0.247 301 D C -1.271 175.237 176.300 0.347 0.000 1.089 301 D CA 0.105 54.359 54.000 0.423 0.000 0.910 301 D CB 0.925 41.893 40.800 0.280 0.000 1.199 301 D HN 0.336 nan 8.370 nan 0.000 0.426 302 W N 0.855 122.297 121.300 0.237 0.000 2.424 302 W HA 0.507 5.188 4.660 0.036 0.000 0.318 302 W C -0.336 176.254 176.519 0.119 0.000 1.016 302 W CA -0.811 56.637 57.345 0.171 0.000 1.268 302 W CB 1.277 30.836 29.460 0.165 0.000 1.297 302 W HN 0.321 nan 8.180 nan 0.000 0.428 303 A N 5.110 128.049 122.820 0.199 0.000 2.798 303 A HA 0.526 4.868 4.320 0.037 0.000 0.316 303 A C -0.379 177.291 177.584 0.144 0.000 1.506 303 A CA -0.475 51.647 52.037 0.141 0.000 1.162 303 A CB -0.236 18.790 19.000 0.043 0.000 1.138 303 A HN 0.586 nan 8.150 nan 0.000 0.532 304 M N 2.579 122.286 119.600 0.179 0.000 2.233 304 M HA 0.188 4.690 4.480 0.037 0.000 0.355 304 M C 0.292 176.646 176.300 0.090 0.000 1.191 304 M CA -0.235 55.151 55.300 0.143 0.000 1.101 304 M CB 0.512 33.191 32.600 0.131 0.000 1.592 304 M HN 0.653 nan 8.290 nan 0.000 0.461 305 H N 6.302 125.371 119.070 -0.003 0.000 2.899 305 H HA 0.231 4.809 4.556 0.036 0.000 0.303 305 H C -2.281 173.039 175.328 -0.013 0.000 1.042 305 H CA -1.475 54.566 56.048 -0.011 0.000 1.479 305 H CB 0.775 30.518 29.762 -0.032 0.000 1.493 305 H HN 0.440 nan 8.280 nan 0.000 0.534 306 P HA 0.106 nan 4.420 nan 0.000 0.225 306 P C 0.982 177.930 177.300 -0.587 0.000 1.830 306 P CA -0.125 62.673 63.100 -0.504 0.000 1.051 306 P CB 0.083 31.567 31.700 -0.361 0.000 1.929 307 G N 1.695 110.193 108.800 -0.503 0.000 2.432 307 G HA2 0.106 4.089 3.960 0.037 0.000 0.219 307 G HA3 0.106 4.089 3.960 0.037 0.000 0.219 307 G C 0.679 175.452 174.900 -0.212 0.000 1.135 307 G CA 0.603 45.544 45.100 -0.265 0.000 0.767 307 G HN 0.653 nan 8.290 nan 0.000 0.550 308 G N -3.020 105.618 108.800 -0.269 0.000 2.576 308 G HA2 0.564 4.546 3.960 0.037 0.000 0.290 308 G HA3 0.564 4.546 3.960 0.037 0.000 0.290 308 G C 0.547 175.172 174.900 -0.457 0.000 1.442 308 G CA 0.100 45.065 45.100 -0.226 0.000 0.792 308 G HN 0.542 nan 8.290 nan 0.000 0.491 309 A N -0.312 122.290 122.820 -0.363 0.000 1.940 309 A HA 0.001 4.343 4.320 0.037 0.000 0.219 309 A C 2.591 180.036 177.584 -0.232 0.000 1.176 309 A CA 3.239 55.054 52.037 -0.369 0.000 0.631 309 A CB -1.106 17.867 19.000 -0.045 0.000 0.814 309 A HN 1.730 nan 8.150 nan 0.000 0.446 310 T N -2.039 112.425 114.554 -0.150 0.000 2.962 310 T HA -0.068 4.304 4.350 0.037 0.000 0.270 310 T C 1.670 176.284 174.700 -0.144 0.000 1.088 310 T CA 1.212 63.242 62.100 -0.116 0.000 1.127 310 T CB -0.394 68.422 68.868 -0.085 0.000 0.883 310 T HN 0.227 nan 8.240 nan 0.000 0.493 311 I N 1.338 121.797 120.570 -0.185 0.000 2.252 311 I HA 0.018 4.210 4.170 0.037 0.000 0.245 311 I C 2.523 178.546 176.117 -0.157 0.000 1.102 311 I CA 0.855 62.061 61.300 -0.156 0.000 1.385 311 I CB -1.199 36.724 38.000 -0.129 0.000 1.064 311 I HN 0.335 nan 8.210 nan 0.000 0.414 312 L N 0.634 121.701 121.223 -0.260 0.000 2.005 312 L HA -0.179 4.183 4.340 0.037 0.000 0.207 312 L C 2.793 179.590 176.870 -0.122 0.000 1.072 312 L CA 1.710 56.389 54.840 -0.267 0.000 0.744 312 L CB -0.817 40.885 42.059 -0.594 0.000 0.895 312 L HN 0.287 nan 8.230 nan 0.000 0.433 313 S N 0.063 115.713 115.700 -0.084 0.000 2.382 313 S HA -0.115 4.377 4.470 0.037 0.000 0.228 313 S C 2.101 176.658 174.600 -0.071 0.000 1.027 313 S CA 0.948 59.130 58.200 -0.031 0.000 0.991 313 S CB -1.150 62.041 63.200 -0.014 0.000 0.823 313 S HN 0.431 nan 8.310 nan 0.000 0.469 314 G N 1.645 110.390 108.800 -0.093 0.000 2.418 314 G HA2 0.030 4.013 3.960 0.037 0.000 0.217 314 G HA3 0.030 4.013 3.960 0.037 0.000 0.217 314 G C 1.673 176.503 174.900 -0.116 0.000 1.158 314 G CA 0.899 45.939 45.100 -0.100 0.000 0.771 314 G HN 0.788 nan 8.290 nan 0.000 0.545 315 A N 0.899 123.642 122.820 -0.128 0.000 1.898 315 A HA 0.002 4.345 4.320 0.037 0.000 0.216 315 A C 2.144 179.562 177.584 -0.277 0.000 1.181 315 A CA 1.909 53.827 52.037 -0.198 0.000 0.620 315 A CB -0.411 18.475 19.000 -0.189 0.000 0.819 315 A HN 0.449 nan 8.150 nan 0.000 0.442 316 E N -0.502 119.577 120.200 -0.202 0.000 2.085 316 E HA -0.179 4.194 4.350 0.037 0.000 0.194 316 E C 2.294 178.787 176.600 -0.180 0.000 0.994 316 E CA 1.422 57.707 56.400 -0.191 0.000 0.801 316 E CB -0.179 29.469 29.700 -0.086 0.000 0.743 316 E HN 0.608 nan 8.360 nan 0.000 0.453 317 S N 0.084 115.702 115.700 -0.137 0.000 2.345 317 S HA -0.096 4.396 4.470 0.037 0.000 0.219 317 S C 2.115 176.639 174.600 -0.128 0.000 1.031 317 S CA 1.059 59.191 58.200 -0.114 0.000 0.984 317 S CB -0.181 62.967 63.200 -0.086 0.000 0.874 317 S HN 0.316 nan 8.310 nan 0.000 0.451 318 A N 1.383 124.120 122.820 -0.138 0.000 1.902 318 A HA 0.025 4.367 4.320 0.037 0.000 0.217 318 A C 1.972 179.455 177.584 -0.167 0.000 1.181 318 A CA 1.616 53.577 52.037 -0.127 0.000 0.623 318 A CB -0.387 18.548 19.000 -0.108 0.000 0.818 318 A HN 0.580 nan 8.150 nan 0.000 0.443 319 M N -1.450 117.990 119.600 -0.266 0.000 2.333 319 M HA 0.230 4.733 4.480 0.037 0.000 0.257 319 M C 1.109 177.225 176.300 -0.307 0.000 1.078 319 M CA 0.338 55.432 55.300 -0.344 0.000 1.005 319 M CB -0.707 31.521 32.600 -0.620 0.000 1.444 319 M HN 0.727 nan 8.290 nan 0.000 0.496 320 G N 2.424 111.076 108.800 -0.248 0.000 2.333 320 G HA2 -0.215 3.767 3.960 0.037 0.000 0.296 320 G HA3 -0.215 3.767 3.960 0.037 0.000 0.296 320 G C -0.365 174.358 174.900 -0.295 0.000 1.059 320 G CA 0.052 45.027 45.100 -0.209 0.000 1.050 320 G HN 0.438 nan 8.290 nan 0.000 0.508 321 L N -0.103 120.902 121.223 -0.363 0.000 2.319 321 L HA 0.813 5.175 4.340 0.037 0.000 0.267 321 L C 1.110 177.825 176.870 -0.257 0.000 1.011 321 L CA -0.681 53.844 54.840 -0.525 0.000 0.818 321 L CB 2.015 43.701 42.059 -0.623 0.000 1.316 321 L HN 0.398 nan 8.230 nan 0.000 0.432 322 T N -3.124 111.368 114.554 -0.103 0.000 2.902 322 T HA 0.349 4.722 4.350 0.037 0.000 0.280 322 T C -2.125 172.664 174.700 0.149 0.000 0.992 322 T CA -1.877 60.286 62.100 0.104 0.000 1.015 322 T CB 1.606 70.605 68.868 0.217 0.000 1.044 322 T HN 0.302 nan 8.240 nan 0.000 0.520 323 P HA -0.019 nan 4.420 nan 0.000 0.219 323 P C 1.069 178.446 177.300 0.130 0.000 1.146 323 P CA 0.862 63.999 63.100 0.061 0.000 0.808 323 P CB 0.036 31.550 31.700 -0.310 0.000 0.779 324 E N -1.820 118.441 120.200 0.102 0.000 2.204 324 E HA -0.175 4.197 4.350 0.037 0.000 0.194 324 E C 1.721 178.398 176.600 0.128 0.000 0.989 324 E CA 0.927 57.380 56.400 0.088 0.000 0.824 324 E CB -0.846 28.869 29.700 0.026 0.000 0.756 324 E HN 0.444 nan 8.360 nan 0.000 0.477 325 H N -0.881 118.268 119.070 0.133 0.000 2.421 325 H HA 0.033 4.611 4.556 0.037 0.000 0.298 325 H C 0.749 176.237 175.328 0.266 0.000 1.087 325 H CA 1.185 57.354 56.048 0.201 0.000 1.330 325 H CB 0.089 29.941 29.762 0.150 0.000 1.388 325 H HN 0.100 nan 8.280 nan 0.000 0.526 326 M N 0.907 120.723 119.600 0.360 0.000 2.869 326 M HA 0.157 4.659 4.480 0.037 0.000 0.353 326 M C 1.255 177.755 176.300 0.335 0.000 1.224 326 M CA -0.183 55.313 55.300 0.327 0.000 0.917 326 M CB 0.646 33.395 32.600 0.249 0.000 1.322 326 M HN 0.263 nan 8.290 nan 0.000 0.516 327 R N 0.322 120.989 120.500 0.278 0.000 2.105 327 R HA -0.094 4.268 4.340 0.037 0.000 0.239 327 R C 1.796 178.239 176.300 0.239 0.000 1.135 327 R CA 1.880 58.127 56.100 0.244 0.000 0.967 327 R CB -0.733 29.656 30.300 0.150 0.000 0.861 327 R HN 0.372 nan 8.270 nan 0.000 0.442 328 A N 1.098 124.042 122.820 0.205 0.000 1.968 328 A HA -0.034 4.309 4.320 0.037 0.000 0.217 328 A C 2.212 179.905 177.584 0.180 0.000 1.169 328 A CA 1.411 53.558 52.037 0.184 0.000 0.638 328 A CB -0.285 18.817 19.000 0.170 0.000 0.812 328 A HN 0.428 nan 8.150 nan 0.000 0.446 329 S N -1.290 114.507 115.700 0.161 0.000 2.355 329 S HA -0.127 4.365 4.470 0.037 0.000 0.222 329 S C 1.783 176.412 174.600 0.048 0.000 1.031 329 S CA 1.363 59.605 58.200 0.071 0.000 0.993 329 S CB -0.586 62.607 63.200 -0.012 0.000 0.859 329 S HN 0.673 nan 8.310 nan 0.000 0.453 330 Y N 1.690 122.055 120.300 0.108 0.000 2.165 330 Y HA -0.221 4.351 4.550 0.037 0.000 0.286 330 Y C 2.452 178.444 175.900 0.153 0.000 1.155 330 Y CA 1.594 59.771 58.100 0.129 0.000 1.164 330 Y CB -0.403 38.112 38.460 0.091 0.000 0.978 330 Y HN 0.308 nan 8.280 nan 0.000 0.513 331 D N -0.563 120.008 120.400 0.285 0.000 2.104 331 D HA -0.190 4.473 4.640 0.037 0.000 0.194 331 D C 2.165 178.592 176.300 0.211 0.000 0.994 331 D CA 1.302 55.427 54.000 0.209 0.000 0.830 331 D CB 0.086 40.993 40.800 0.180 0.000 0.959 331 D HN -0.041 nan 8.370 nan 0.000 0.452 332 R N -0.925 119.714 120.500 0.230 0.000 2.073 332 R HA -0.115 4.247 4.340 0.037 0.000 0.234 332 R C 2.116 178.551 176.300 0.225 0.000 1.134 332 R CA 1.366 57.624 56.100 0.264 0.000 0.952 332 R CB -1.116 29.319 30.300 0.225 0.000 0.850 332 R HN 0.380 nan 8.270 nan 0.000 0.433 333 Y N 0.580 120.908 120.300 0.046 0.000 2.145 333 Y HA -0.147 4.429 4.550 0.044 0.000 0.286 333 Y C 1.863 177.760 175.900 -0.005 0.000 1.145 333 Y CA 1.657 59.745 58.100 -0.020 0.000 1.148 333 Y CB -0.248 38.147 38.460 -0.107 0.000 0.981 333 Y HN -0.022 nan 8.280 nan 0.000 0.507 334 I N 0.195 120.788 120.570 0.039 0.000 2.252 334 I HA -0.326 3.867 4.170 0.037 0.000 0.245 334 I C 1.348 177.369 176.117 -0.160 0.000 1.102 334 I CA 2.044 63.303 61.300 -0.068 0.000 1.385 334 I CB -0.414 37.634 38.000 0.081 0.000 1.064 334 I HN 0.286 nan 8.210 nan 0.000 0.414 335 N N -1.383 117.223 118.700 -0.156 0.000 2.373 335 N HA 0.005 4.767 4.740 0.037 0.000 0.181 335 N C 1.229 176.312 175.510 -0.711 0.000 1.082 335 N CA 0.511 53.333 53.050 -0.378 0.000 0.885 335 N CB 0.324 38.590 38.487 -0.369 0.000 0.977 335 N HN 0.362 nan 8.380 nan 0.000 0.462 336 H N -1.585 117.364 119.070 -0.201 0.000 3.794 336 H HA 0.282 4.860 4.556 0.036 0.000 0.258 336 H C 1.103 176.352 175.328 -0.132 0.000 1.120 336 H CA 0.556 56.456 56.048 -0.247 0.000 1.166 336 H CB 1.050 30.543 29.762 -0.449 0.000 1.517 336 H HN 0.162 nan 8.280 nan 0.000 0.615 337 G N 2.110 110.857 108.800 -0.090 0.000 2.681 337 G HA2 -0.278 3.705 3.960 0.037 0.000 0.220 337 G HA3 -0.278 3.705 3.960 0.037 0.000 0.220 337 G C -0.404 174.490 174.900 -0.011 0.000 1.353 337 G CA -0.260 44.742 45.100 -0.164 0.000 0.872 337 G HN 0.355 nan 8.290 nan 0.000 0.557 338 N N 0.355 119.022 118.700 -0.056 0.000 2.437 338 N HA 0.470 5.233 4.740 0.037 0.000 0.243 338 N C 0.678 176.283 175.510 0.158 0.000 1.041 338 N CA 0.313 53.353 53.050 -0.017 0.000 0.940 338 N CB 0.736 39.041 38.487 -0.304 0.000 1.133 338 N HN 0.518 nan 8.380 nan 0.000 0.506 339 S N 1.656 117.500 115.700 0.241 0.000 2.677 339 S HA 0.074 4.567 4.470 0.037 0.000 0.246 339 S C 0.755 175.483 174.600 0.214 0.000 1.005 339 S CA -0.075 58.269 58.200 0.240 0.000 1.062 339 S CB -0.673 62.646 63.200 0.198 0.000 0.778 339 S HN 0.771 nan 8.310 nan 0.000 0.461 340 S N 2.545 118.451 115.700 0.344 0.000 3.938 340 S HA -0.338 4.154 4.470 0.037 0.000 0.624 340 S C 1.872 176.441 174.600 -0.053 0.000 2.186 340 S CA 2.021 60.340 58.200 0.198 0.000 4.144 340 S CB -1.727 61.489 63.200 0.027 0.000 0.230 340 S HN 0.966 nan 8.310 nan 0.000 0.755 341 S N 1.546 117.149 115.700 -0.161 0.000 2.442 341 S HA 0.152 4.644 4.470 0.037 0.000 0.236 341 S C 1.865 176.296 174.600 -0.282 0.000 1.007 341 S CA 1.622 59.663 58.200 -0.265 0.000 0.965 341 S CB -0.854 62.215 63.200 -0.218 0.000 0.773 341 S HN 1.612 nan 8.310 nan 0.000 0.504 342 A N 1.176 123.900 122.820 -0.161 0.000 2.169 342 A HA 0.150 4.493 4.320 0.037 0.000 0.212 342 A C 2.187 179.703 177.584 -0.114 0.000 1.153 342 A CA 1.184 53.128 52.037 -0.156 0.000 0.756 342 A CB -0.998 17.935 19.000 -0.111 0.000 0.813 342 A HN 0.569 nan 8.150 nan 0.000 0.471 343 T N 0.114 114.659 114.554 -0.015 0.000 2.857 343 T HA -0.090 4.283 4.350 0.037 0.000 0.266 343 T C 1.771 176.524 174.700 0.088 0.000 1.048 343 T CA 1.326 63.495 62.100 0.116 0.000 1.139 343 T CB -0.257 68.793 68.868 0.304 0.000 0.874 343 T HN 0.356 nan 8.240 nan 0.000 0.455 344 I N 1.118 121.677 120.570 -0.019 0.000 2.226 344 I HA -0.082 4.110 4.170 0.037 0.000 0.245 344 I C 1.507 177.684 176.117 0.099 0.000 1.100 344 I CA 1.066 62.360 61.300 -0.011 0.000 1.374 344 I CB -0.560 37.359 38.000 -0.134 0.000 1.057 344 I HN 0.083 nan 8.210 nan 0.000 0.413 345 F N -0.204 119.741 119.950 -0.009 0.000 2.234 345 F HA -0.063 4.487 4.527 0.038 0.000 0.299 345 F C 2.917 178.720 175.800 0.005 0.000 1.087 345 F CA 1.156 59.147 58.000 -0.015 0.000 1.340 345 F CB -1.768 37.214 39.000 -0.030 0.000 1.031 345 F HN 0.111 nan 8.300 nan 0.000 0.500 346 S N 0.088 115.888 115.700 0.167 0.000 2.368 346 S HA -0.123 4.369 4.470 0.037 0.000 0.225 346 S C 2.317 177.007 174.600 0.150 0.000 1.030 346 S CA 1.311 59.578 58.200 0.112 0.000 0.999 346 S CB -0.488 62.751 63.200 0.065 0.000 0.844 346 S HN 0.080 nan 8.310 nan 0.000 0.459 347 V N 2.171 122.178 119.914 0.155 0.000 2.287 347 V HA -0.179 3.964 4.120 0.037 0.000 0.248 347 V C 2.412 178.599 176.094 0.154 0.000 1.053 347 V CA 2.003 64.394 62.300 0.152 0.000 1.027 347 V CB -0.739 31.165 31.823 0.136 0.000 0.646 347 V HN 0.476 nan 8.190 nan 0.000 0.447 348 L N 0.189 121.502 121.223 0.151 0.000 2.083 348 L HA -0.188 4.175 4.340 0.037 0.000 0.209 348 L C 2.434 179.451 176.870 0.245 0.000 1.083 348 L CA 1.858 56.787 54.840 0.148 0.000 0.752 348 L CB -0.696 41.387 42.059 0.041 0.000 0.899 348 L HN 0.430 nan 8.230 nan 0.000 0.433 349 N N 0.448 119.262 118.700 0.189 0.000 2.106 349 N HA -0.225 4.537 4.740 0.037 0.000 0.188 349 N C 1.949 177.542 175.510 0.138 0.000 1.029 349 N CA 1.260 54.401 53.050 0.151 0.000 0.848 349 N CB -0.008 38.544 38.487 0.109 0.000 1.007 349 N HN 0.013 nan 8.380 nan 0.000 0.423 350 R N 0.033 120.619 120.500 0.144 0.000 2.092 350 R HA 0.036 4.398 4.340 0.037 0.000 0.231 350 R C 1.994 178.376 176.300 0.137 0.000 1.119 350 R CA 0.735 56.916 56.100 0.135 0.000 0.970 350 R CB -0.900 29.489 30.300 0.148 0.000 0.864 350 R HN 0.333 nan 8.270 nan 0.000 0.440 351 L N 1.181 122.503 121.223 0.165 0.000 2.079 351 L HA -0.158 4.205 4.340 0.037 0.000 0.210 351 L C 1.544 178.502 176.870 0.146 0.000 1.081 351 L CA 1.956 56.899 54.840 0.172 0.000 0.752 351 L CB -0.334 41.854 42.059 0.215 0.000 0.896 351 L HN 0.251 nan 8.230 nan 0.000 0.433 352 R N -0.423 120.158 120.500 0.134 0.000 2.320 352 R HA 0.209 4.572 4.340 0.037 0.000 0.211 352 R C 0.200 176.518 176.300 0.030 0.000 0.931 352 R CA 0.023 56.154 56.100 0.052 0.000 1.071 352 R CB -1.151 29.123 30.300 -0.043 0.000 1.025 352 R HN 0.376 nan 8.270 nan 0.000 0.495 353 E N 1.190 121.423 120.200 0.055 0.000 2.319 353 E HA 0.153 4.526 4.350 0.037 0.000 0.268 353 E C 0.182 176.806 176.600 0.040 0.000 1.050 353 E CA -0.720 55.706 56.400 0.044 0.000 0.878 353 E CB 0.916 30.651 29.700 0.057 0.000 1.066 353 E HN -0.041 nan 8.360 nan 0.000 0.406 354 K N 1.776 122.193 120.400 0.029 0.000 2.103 354 K HA -0.173 4.170 4.320 0.037 0.000 0.207 354 K C 1.291 177.909 176.600 0.030 0.000 1.048 354 K CA 1.607 57.908 56.287 0.024 0.000 0.930 354 K CB -0.247 32.263 32.500 0.017 0.000 0.716 354 K HN 0.576 nan 8.250 nan 0.000 0.444 355 D N -0.027 120.394 120.400 0.036 0.000 2.312 355 D HA -0.119 4.543 4.640 0.037 0.000 0.211 355 D C 1.670 177.998 176.300 0.047 0.000 0.964 355 D CA 0.711 54.734 54.000 0.038 0.000 0.877 355 D CB -0.098 40.725 40.800 0.038 0.000 0.924 355 D HN 0.003 nan 8.370 nan 0.000 0.515 356 M N 0.774 120.408 119.600 0.058 0.000 2.193 356 M HA -0.035 4.467 4.480 0.037 0.000 0.265 356 M C 1.057 177.392 176.300 0.059 0.000 1.071 356 M CA 0.938 56.279 55.300 0.070 0.000 1.140 356 M CB -0.580 32.075 32.600 0.092 0.000 1.369 356 M HN -0.045 nan 8.290 nan 0.000 0.423 357 D N 1.076 121.506 120.400 0.049 0.000 2.158 357 D HA -0.127 4.535 4.640 0.037 0.000 0.197 357 D C 1.860 178.178 176.300 0.030 0.000 0.995 357 D CA 1.631 55.654 54.000 0.039 0.000 0.846 357 D CB -0.192 40.625 40.800 0.028 0.000 0.941 357 D HN 0.346 nan 8.370 nan 0.000 0.456 358 A N -0.159 122.678 122.820 0.028 0.000 2.121 358 A HA -0.023 4.320 4.320 0.037 0.000 0.218 358 A C 2.005 179.600 177.584 0.019 0.000 1.154 358 A CA 0.618 52.668 52.037 0.021 0.000 0.679 358 A CB -0.312 18.700 19.000 0.020 0.000 0.795 358 A HN 0.250 nan 8.150 nan 0.000 0.458 359 L N -0.584 120.655 121.223 0.026 0.000 2.728 359 L HA 0.288 4.650 4.340 0.037 0.000 0.238 359 L C 1.039 177.918 176.870 0.015 0.000 1.143 359 L CA -0.299 54.554 54.840 0.022 0.000 0.937 359 L CB 0.070 42.148 42.059 0.032 0.000 1.225 359 L HN 0.308 nan 8.230 nan 0.000 0.507 360 A N 1.212 124.041 122.820 0.014 0.000 2.546 360 A HA 0.282 4.624 4.320 0.037 0.000 0.243 360 A C -2.160 175.402 177.584 -0.037 0.000 1.063 360 A CA -0.878 51.157 52.037 -0.002 0.000 0.757 360 A CB -0.565 18.443 19.000 0.014 0.000 0.991 360 A HN -0.026 nan 8.150 nan 0.000 0.503 361 P HA 0.141 nan 4.420 nan 0.000 0.261 361 P C 1.057 178.319 177.300 -0.064 0.000 1.183 361 P CA 1.916 64.941 63.100 -0.125 0.000 0.761 361 P CB 0.387 31.860 31.700 -0.379 0.000 0.785 362 G N 3.423 112.208 108.800 -0.026 0.000 2.233 362 G HA2 -0.177 3.805 3.960 0.037 0.000 0.270 362 G HA3 -0.177 3.805 3.960 0.037 0.000 0.270 362 G C 0.973 175.867 174.900 -0.010 0.000 1.011 362 G CA 0.709 45.802 45.100 -0.011 0.000 0.762 362 G HN 1.039 nan 8.290 nan 0.000 0.511 363 G N -1.653 107.142 108.800 -0.009 0.000 2.168 363 G HA2 -0.295 3.687 3.960 0.037 0.000 0.263 363 G HA3 -0.295 3.687 3.960 0.037 0.000 0.263 363 G C 0.395 175.297 174.900 0.003 0.000 0.977 363 G CA 1.050 46.149 45.100 -0.001 0.000 0.659 363 G HN 0.894 nan 8.290 nan 0.000 0.533 364 K N 1.057 121.456 120.400 -0.001 0.000 2.299 364 K HA 0.505 4.847 4.320 0.037 0.000 0.268 364 K C 0.408 177.028 176.600 0.032 0.000 1.075 364 K CA -0.527 55.768 56.287 0.013 0.000 0.936 364 K CB 1.421 33.922 32.500 0.002 0.000 1.228 364 K HN 0.115 nan 8.250 nan 0.000 0.454 365 V N 5.126 125.067 119.914 0.046 0.000 2.479 365 V HA 0.019 4.161 4.120 0.037 0.000 0.281 365 V C 0.710 176.870 176.094 0.109 0.000 1.031 365 V CA -0.222 62.118 62.300 0.067 0.000 1.038 365 V CB 0.168 32.021 31.823 0.050 0.000 0.981 365 V HN 0.366 nan 8.190 nan 0.000 0.478 366 K N 3.940 124.433 120.400 0.156 0.000 2.185 366 K HA 0.216 4.558 4.320 0.037 0.000 0.271 366 K C 0.949 177.647 176.600 0.164 0.000 1.013 366 K CA -0.213 56.233 56.287 0.266 0.000 0.943 366 K CB 1.107 33.825 32.500 0.363 0.000 0.998 366 K HN 0.693 nan 8.250 nan 0.000 0.468 367 E N 0.966 121.227 120.200 0.101 0.000 2.371 367 E HA -0.040 4.332 4.350 0.037 0.000 0.194 367 E C -0.581 175.664 176.600 -0.591 0.000 1.012 367 E CA 0.644 56.879 56.400 -0.276 0.000 0.860 367 E CB 0.315 29.793 29.700 -0.371 0.000 0.811 367 E HN 0.413 nan 8.360 nan 0.000 0.502 368 Y N -0.877 119.305 120.300 -0.197 0.000 2.425 368 Y HA 0.443 5.015 4.550 0.037 0.000 0.344 368 Y C -0.761 175.272 175.900 0.223 0.000 0.969 368 Y CA -1.120 56.964 58.100 -0.027 0.000 1.052 368 Y CB 2.037 40.437 38.460 -0.099 0.000 1.215 368 Y HN -0.350 nan 8.280 nan 0.000 0.451 369 V N 3.952 124.008 119.914 0.237 0.000 2.531 369 V HA 0.436 4.579 4.120 0.037 0.000 0.301 369 V C -0.708 175.310 176.094 -0.127 0.000 1.034 369 V CA -0.994 61.356 62.300 0.082 0.000 0.865 369 V CB 1.790 33.631 31.823 0.029 0.000 0.995 369 V HN 0.520 nan 8.190 nan 0.000 0.424 370 V N 3.718 123.409 119.914 -0.371 0.000 2.383 370 V HA 0.661 4.804 4.120 0.037 0.000 0.275 370 V C 0.880 176.752 176.094 -0.369 0.000 1.036 370 V CA -0.106 61.836 62.300 -0.595 0.000 0.889 370 V CB 1.483 32.510 31.823 -1.327 0.000 0.985 370 V HN 0.984 nan 8.190 nan 0.000 0.459 371 G N 2.781 111.441 108.800 -0.234 0.000 2.348 371 G HA2 0.530 4.512 3.960 0.037 0.000 0.312 371 G HA3 0.530 4.512 3.960 0.037 0.000 0.312 371 G C -0.906 173.930 174.900 -0.107 0.000 1.126 371 G CA -0.313 44.714 45.100 -0.123 0.000 0.865 371 G HN 0.861 nan 8.290 nan 0.000 0.474 372 C N 1.392 120.657 119.300 -0.057 0.000 2.782 372 C HA 0.900 5.382 4.460 0.037 0.000 0.328 372 C C -0.285 174.589 174.990 -0.194 0.000 1.145 372 C CA 0.245 59.187 59.018 -0.128 0.000 1.358 372 C CB 0.460 28.195 27.740 -0.009 0.000 1.841 372 C HN 1.350 nan 8.230 nan 0.000 0.477 373 A N 3.950 126.528 122.820 -0.403 0.000 2.574 373 A HA 0.916 5.258 4.320 0.037 0.000 0.297 373 A C -1.630 175.607 177.584 -0.578 0.000 1.062 373 A CA -0.352 51.478 52.037 -0.345 0.000 0.686 373 A CB 0.858 19.717 19.000 -0.235 0.000 1.285 373 A HN 0.750 nan 8.150 nan 0.000 0.403 374 F N 0.468 120.445 119.950 0.045 0.000 2.561 374 F HA 0.852 5.400 4.527 0.036 0.000 0.321 374 F C 0.854 176.652 175.800 -0.003 0.000 1.065 374 F CA 0.018 58.031 58.000 0.022 0.000 0.934 374 F CB 2.758 41.781 39.000 0.038 0.000 1.215 374 F HN 0.959 nan 8.300 nan 0.000 0.471 375 G N 0.301 109.202 108.800 0.167 0.000 2.663 375 G HA2 0.601 4.584 3.960 0.037 0.000 0.299 375 G HA3 0.601 4.584 3.960 0.037 0.000 0.299 375 G C -3.335 171.600 174.900 0.058 0.000 1.372 375 G CA -1.811 43.332 45.100 0.072 0.000 0.781 375 G HN 0.233 nan 8.290 nan 0.000 0.491 376 P HA 0.237 nan 4.420 nan 0.000 0.261 376 P C 0.800 178.118 177.300 0.031 0.000 1.165 376 P CA 1.891 65.007 63.100 0.026 0.000 0.759 376 P CB 0.993 32.704 31.700 0.018 0.000 0.772 377 G N 2.898 111.719 108.800 0.035 0.000 4.455 377 G HA2 -0.088 3.894 3.960 0.037 0.000 0.182 377 G HA3 -0.088 3.894 3.960 0.037 0.000 0.182 377 G C -0.233 174.689 174.900 0.036 0.000 1.631 377 G CA -0.447 44.677 45.100 0.039 0.000 0.878 377 G HN 0.442 nan 8.290 nan 0.000 0.295 378 I N 3.018 123.606 120.570 0.031 0.000 2.517 378 I HA 0.237 4.429 4.170 0.037 0.000 0.285 378 I C -0.543 175.624 176.117 0.084 0.000 1.106 378 I CA -0.449 60.882 61.300 0.052 0.000 1.402 378 I CB 0.801 38.822 38.000 0.035 0.000 1.399 378 I HN 0.107 nan 8.210 nan 0.000 0.535 379 N N 5.812 124.566 118.700 0.090 0.000 2.455 379 N HA 0.382 5.145 4.740 0.037 0.000 0.280 379 N C -0.810 174.776 175.510 0.128 0.000 1.055 379 N CA -0.335 52.764 53.050 0.082 0.000 0.961 379 N CB 1.848 40.357 38.487 0.035 0.000 1.121 379 N HN 0.190 nan 8.380 nan 0.000 0.476 380 V N 1.975 121.956 119.914 0.112 0.000 2.459 380 V HA 0.397 4.539 4.120 0.037 0.000 0.295 380 V C -0.123 175.942 176.094 -0.048 0.000 1.029 380 V CA -0.680 61.655 62.300 0.057 0.000 0.874 380 V CB 1.673 33.601 31.823 0.176 0.000 0.985 380 V HN 0.491 nan 8.190 nan 0.000 0.438 381 E N 4.899 125.000 120.200 -0.166 0.000 2.234 381 E HA 0.637 5.010 4.350 0.037 0.000 0.266 381 E C -1.046 175.469 176.600 -0.141 0.000 0.877 381 E CA -0.461 55.869 56.400 -0.116 0.000 0.758 381 E CB 2.707 32.333 29.700 -0.124 0.000 1.170 381 E HN 0.560 nan 8.360 nan 0.000 0.415 382 M N 1.492 121.056 119.600 -0.060 0.000 2.518 382 M HA 0.491 4.993 4.480 0.037 0.000 0.300 382 M C -0.621 175.673 176.300 -0.010 0.000 1.175 382 M CA -0.875 54.386 55.300 -0.064 0.000 0.890 382 M CB 2.228 34.794 32.600 -0.057 0.000 1.710 382 M HN 0.740 nan 8.290 nan 0.000 0.453 383 C N 1.259 120.531 119.300 -0.046 0.000 2.898 383 C HA 0.903 5.386 4.460 0.037 0.000 0.304 383 C C -0.784 174.154 174.990 -0.086 0.000 1.237 383 C CA -0.992 58.030 59.018 0.007 0.000 1.529 383 C CB 1.649 29.412 27.740 0.039 0.000 2.021 383 C HN 0.968 nan 8.230 nan 0.000 0.474 384 M N 2.926 122.495 119.600 -0.051 0.000 2.167 384 M HA 0.739 5.242 4.480 0.037 0.000 0.333 384 M C -1.306 174.996 176.300 0.003 0.000 1.030 384 M CA -0.847 54.405 55.300 -0.080 0.000 0.963 384 M CB 0.643 33.182 32.600 -0.102 0.000 1.589 384 M HN 0.784 nan 8.290 nan 0.000 0.431 385 L N 3.892 125.111 121.223 -0.007 0.000 2.334 385 L HA 0.612 4.974 4.340 0.037 0.000 0.273 385 L C -0.394 176.518 176.870 0.070 0.000 1.013 385 L CA -0.861 53.989 54.840 0.017 0.000 0.816 385 L CB 1.893 43.872 42.059 -0.133 0.000 1.278 385 L HN 0.621 nan 8.230 nan 0.000 0.431 386 K N 2.841 123.260 120.400 0.031 0.000 2.240 386 K HA 0.365 4.708 4.320 0.037 0.000 0.271 386 K C -0.586 175.969 176.600 -0.075 0.000 1.018 386 K CA -0.694 55.465 56.287 -0.213 0.000 0.874 386 K CB 1.241 33.583 32.500 -0.264 0.000 1.098 386 K HN 0.501 nan 8.250 nan 0.000 0.458 387 R N 4.506 124.930 120.500 -0.126 0.000 2.234 387 R HA 0.173 4.535 4.340 0.037 0.000 0.324 387 R C -0.043 176.147 176.300 -0.183 0.000 1.054 387 R CA -0.542 55.511 56.100 -0.078 0.000 0.912 387 R CB 0.600 30.898 30.300 -0.003 0.000 1.030 387 R HN 0.620 nan 8.270 nan 0.000 0.455 388 R N 0.000 120.384 120.500 -0.193 0.000 2.786 388 R HA 0.000 4.362 4.340 0.037 0.000 0.208 388 R CA 0.000 56.008 56.100 -0.154 0.000 0.921 388 R CB 0.000 30.217 30.300 -0.139 0.000 0.687 388 R HN 0.000 nan 8.270 nan 0.000 0.535