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 3eut_1_C 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 0.000 176.906 176.870 0.060 0.000 1.165 10 L CA 0.000 54.873 54.840 0.056 0.000 0.813 10 L CB 0.000 42.114 42.059 0.092 0.000 0.961 11 G N 2.044 110.873 108.800 0.049 0.000 2.160 11 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.251 11 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.251 11 G C -0.082 174.844 174.900 0.043 0.000 1.008 11 G CA 0.490 45.615 45.100 0.041 0.000 0.724 11 G HN 0.193 nan 8.290 nan 0.000 0.514 12 L N 1.355 122.614 121.223 0.060 0.000 2.282 12 L HA 0.696 5.036 4.340 -0.001 0.000 0.288 12 L C 0.492 177.390 176.870 0.047 0.000 1.033 12 L CA -0.179 54.693 54.840 0.054 0.000 0.807 12 L CB 1.884 43.998 42.059 0.091 0.000 1.209 12 L HN 0.420 nan 8.230 nan 0.000 0.423 13 S N 2.792 118.506 115.700 0.023 0.000 2.546 13 S HA 0.647 5.116 4.470 -0.001 0.000 0.274 13 S C -0.771 173.834 174.600 0.008 0.000 1.121 13 S CA -0.869 57.347 58.200 0.026 0.000 0.887 13 S CB 1.653 64.864 63.200 0.018 0.000 1.094 13 S HN 0.416 nan 8.310 nan 0.000 0.474 14 I N 2.952 123.541 120.570 0.032 0.000 2.322 14 I HA 0.223 4.392 4.170 -0.001 0.000 0.292 14 I C 1.393 177.509 176.117 -0.002 0.000 1.060 14 I CA -0.360 60.947 61.300 0.011 0.000 1.309 14 I CB 1.262 39.303 38.000 0.068 0.000 1.415 14 I HN 1.014 nan 8.210 nan 0.000 0.492 15 T N 0.997 115.533 114.554 -0.031 0.000 3.022 15 T HA 0.320 4.670 4.350 -0.001 0.000 0.250 15 T C 0.648 175.322 174.700 -0.043 0.000 1.060 15 T CA -0.125 61.953 62.100 -0.036 0.000 1.013 15 T CB 0.436 69.285 68.868 -0.032 0.000 0.982 15 T HN 0.661 nan 8.240 nan 0.000 0.508 16 G N 0.745 109.515 108.800 -0.049 0.000 2.742 16 G HA2 0.597 4.556 3.960 -0.001 0.000 0.296 16 G HA3 0.597 4.556 3.960 -0.001 0.000 0.296 16 G C -2.160 172.702 174.900 -0.064 0.000 1.436 16 G CA -0.932 44.138 45.100 -0.049 0.000 0.928 16 G HN 0.254 nan 8.290 nan 0.000 0.520 17 L N 0.144 121.339 121.223 -0.046 0.000 2.409 17 L HA 0.934 5.273 4.340 -0.001 0.000 0.262 17 L C 0.372 177.227 176.870 -0.026 0.000 0.992 17 L CA -0.570 54.237 54.840 -0.055 0.000 0.817 17 L CB 2.536 44.585 42.059 -0.017 0.000 1.350 17 L HN 0.944 nan 8.230 nan 0.000 0.411 18 G N 0.423 109.208 108.800 -0.024 0.000 2.719 18 G HA2 0.721 4.680 3.960 -0.001 0.000 0.298 18 G HA3 0.721 4.680 3.960 -0.001 0.000 0.298 18 G C -2.023 172.875 174.900 -0.003 0.000 1.411 18 G CA -0.596 44.499 45.100 -0.008 0.000 0.991 18 G HN 0.357 nan 8.290 nan 0.000 0.509 19 V N 0.877 120.782 119.914 -0.014 0.000 2.686 19 V HA 0.649 4.768 4.120 -0.001 0.000 0.306 19 V C -0.843 175.201 176.094 -0.084 0.000 1.065 19 V CA -0.749 61.510 62.300 -0.069 0.000 0.894 19 V CB 1.968 33.753 31.823 -0.063 0.000 1.004 19 V HN 0.783 nan 8.190 nan 0.000 0.424 20 Q N 3.039 122.745 119.800 -0.157 0.000 2.294 20 Q HA 0.542 4.881 4.340 -0.001 0.000 0.264 20 Q C -1.807 174.088 176.000 -0.176 0.000 0.992 20 Q CA -0.315 55.428 55.803 -0.099 0.000 0.747 20 Q CB 1.350 30.059 28.738 -0.048 0.000 1.262 20 Q HN 0.627 nan 8.270 nan 0.000 0.452 21 Y N 4.081 124.366 120.300 -0.026 0.000 2.307 21 Y HA 0.517 5.066 4.550 -0.001 0.000 0.324 21 Y C -1.682 174.227 175.900 0.015 0.000 1.238 21 Y CA -1.709 56.385 58.100 -0.010 0.000 1.280 21 Y CB 0.707 39.160 38.460 -0.012 0.000 1.248 21 Y HN 0.548 nan 8.280 nan 0.000 0.508 22 P HA 0.188 nan 4.420 nan 0.000 0.277 22 P C -2.336 175.035 177.300 0.118 0.000 1.271 22 P CA -1.602 61.583 63.100 0.142 0.000 0.795 22 P CB 0.801 32.592 31.700 0.152 0.000 1.101 23 P HA -0.043 nan 4.420 nan 0.000 0.220 23 P C -0.168 176.963 177.300 -0.282 0.000 1.148 23 P CA 1.390 64.379 63.100 -0.185 0.000 0.803 23 P CB -0.212 31.246 31.700 -0.404 0.000 0.782 24 Y N -1.144 119.190 120.300 0.055 0.000 2.334 24 Y HA 0.484 5.034 4.550 -0.001 0.000 0.328 24 Y C 0.851 176.770 175.900 0.031 0.000 1.130 24 Y CA -0.645 57.480 58.100 0.041 0.000 1.163 24 Y CB 1.276 39.763 38.460 0.045 0.000 1.207 24 Y HN -0.305 nan 8.280 nan 0.000 0.471 25 S N 4.322 120.107 115.700 0.141 0.000 2.707 25 S HA 0.657 5.127 4.470 -0.001 0.000 0.303 25 S C -1.424 173.206 174.600 0.049 0.000 1.132 25 S CA -0.628 57.602 58.200 0.051 0.000 1.046 25 S CB 0.030 63.213 63.200 -0.029 0.000 1.004 25 S HN 0.621 nan 8.310 nan 0.000 0.483 26 L N 4.271 125.514 121.223 0.033 0.000 2.322 26 L HA 0.669 5.009 4.340 -0.001 0.000 0.281 26 L C 1.123 177.986 176.870 -0.011 0.000 1.014 26 L CA -0.966 53.890 54.840 0.026 0.000 0.815 26 L CB 1.716 43.796 42.059 0.036 0.000 1.247 26 L HN 0.753 nan 8.230 nan 0.000 0.421 27 G N 1.730 110.524 108.800 -0.011 0.000 2.621 27 G HA2 0.303 4.262 3.960 -0.001 0.000 0.271 27 G HA3 0.303 4.262 3.960 -0.001 0.000 0.271 27 G C -1.567 173.318 174.900 -0.025 0.000 1.236 27 G CA -0.859 44.225 45.100 -0.026 0.000 0.958 27 G HN 0.508 nan 8.290 nan 0.000 0.512 28 P HA -0.088 nan 4.420 nan 0.000 0.222 28 P C 0.973 178.259 177.300 -0.023 0.000 1.147 28 P CA 1.345 64.423 63.100 -0.036 0.000 0.790 28 P CB 0.098 31.770 31.700 -0.046 0.000 0.780 29 D N 0.314 120.705 120.400 -0.015 0.000 2.348 29 D HA -0.064 4.575 4.640 -0.001 0.000 0.216 29 D C 1.719 178.020 176.300 0.003 0.000 0.970 29 D CA 0.847 54.843 54.000 -0.007 0.000 0.889 29 D CB -0.771 40.026 40.800 -0.005 0.000 0.912 29 D HN 0.112 nan 8.370 nan 0.000 0.524 30 A N 1.084 123.908 122.820 0.006 0.000 1.940 30 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 30 A C 2.235 179.835 177.584 0.027 0.000 1.176 30 A CA 1.106 53.153 52.037 0.017 0.000 0.631 30 A CB -0.476 18.534 19.000 0.018 0.000 0.814 30 A HN 0.249 nan 8.150 nan 0.000 0.446 31 I N 0.511 121.093 120.570 0.020 0.000 2.286 31 I HA -0.158 4.011 4.170 -0.001 0.000 0.245 31 I C 1.706 177.843 176.117 0.035 0.000 1.104 31 I CA 1.329 62.648 61.300 0.031 0.000 1.397 31 I CB -1.610 36.399 38.000 0.014 0.000 1.072 31 I HN 0.282 nan 8.210 nan 0.000 0.417 32 D N 1.164 121.574 120.400 0.016 0.000 2.123 32 D HA -0.160 4.479 4.640 -0.001 0.000 0.196 32 D C 2.340 178.653 176.300 0.021 0.000 0.992 32 D CA 1.052 55.060 54.000 0.014 0.000 0.833 32 D CB -0.046 40.753 40.800 -0.001 0.000 0.954 32 D HN 0.183 nan 8.370 nan 0.000 0.455 33 I N 0.839 121.421 120.570 0.020 0.000 2.127 33 I HA -0.220 3.949 4.170 -0.001 0.000 0.241 33 I C 2.607 178.739 176.117 0.024 0.000 1.075 33 I CA 0.902 62.210 61.300 0.013 0.000 1.334 33 I CB -0.973 37.036 38.000 0.015 0.000 1.040 33 I HN 0.060 nan 8.210 nan 0.000 0.405 34 L N -0.272 120.996 121.223 0.075 0.000 2.093 34 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 34 L C 2.758 179.748 176.870 0.199 0.000 1.085 34 L CA 1.117 56.055 54.840 0.163 0.000 0.755 34 L CB -0.486 41.690 42.059 0.196 0.000 0.904 34 L HN 0.225 nan 8.230 nan 0.000 0.435 35 S N 0.155 115.947 115.700 0.153 0.000 2.356 35 S HA -0.268 4.201 4.470 -0.001 0.000 0.223 35 S C 2.074 176.754 174.600 0.134 0.000 1.032 35 S CA 1.856 60.169 58.200 0.189 0.000 1.005 35 S CB -0.067 63.199 63.200 0.110 0.000 0.867 35 S HN 0.320 nan 8.310 nan 0.000 0.449 36 K N 0.555 120.980 120.400 0.042 0.000 2.147 36 K HA -0.044 4.275 4.320 -0.001 0.000 0.205 36 K C 2.420 178.957 176.600 -0.105 0.000 1.049 36 K CA 1.145 57.423 56.287 -0.014 0.000 0.936 36 K CB -0.192 32.293 32.500 -0.025 0.000 0.722 36 K HN 0.264 nan 8.250 nan 0.000 0.446 37 R N -1.061 119.315 120.500 -0.205 0.000 2.092 37 R HA -0.118 4.221 4.340 -0.001 0.000 0.231 37 R C 1.003 176.837 176.300 -0.777 0.000 1.119 37 R CA 1.582 57.362 56.100 -0.534 0.000 0.970 37 R CB 0.049 29.914 30.300 -0.724 0.000 0.864 37 R HN 0.296 nan 8.270 nan 0.000 0.440 38 Y N -2.371 117.865 120.300 -0.106 0.000 2.426 38 Y HA 0.274 4.824 4.550 -0.001 0.000 0.249 38 Y C -0.356 175.165 175.900 -0.632 0.000 1.103 38 Y CA -0.291 57.609 58.100 -0.333 0.000 1.256 38 Y CB 0.745 38.988 38.460 -0.363 0.000 1.208 38 Y HN 0.024 nan 8.280 nan 0.000 0.519 39 H N -1.106 118.015 119.070 0.086 0.000 2.806 39 H HA 0.426 4.981 4.556 -0.002 0.000 0.367 39 H C -2.656 172.685 175.328 0.021 0.000 1.136 39 H CA -2.297 53.786 56.048 0.058 0.000 1.178 39 H CB 1.564 31.365 29.762 0.065 0.000 1.718 39 H HN -0.187 nan 8.280 nan 0.000 0.540 40 P HA 0.086 nan 4.420 nan 0.000 0.274 40 P C -0.558 176.788 177.300 0.076 0.000 1.237 40 P CA -0.598 62.544 63.100 0.071 0.000 0.793 40 P CB 0.720 32.450 31.700 0.051 0.000 0.977 41 E N 0.168 120.395 120.200 0.046 0.000 2.414 41 E HA 0.313 4.662 4.350 -0.001 0.000 0.263 41 E C 0.123 176.741 176.600 0.030 0.000 1.000 41 E CA 0.412 56.832 56.400 0.035 0.000 0.914 41 E CB 0.017 29.730 29.700 0.022 0.000 0.948 41 E HN 0.411 nan 8.360 nan 0.000 0.444 42 S N 1.561 117.275 115.700 0.022 0.000 2.627 42 S HA 0.485 4.954 4.470 -0.001 0.000 0.283 42 S C -2.279 172.327 174.600 0.010 0.000 1.127 42 S CA -1.557 56.653 58.200 0.016 0.000 0.863 42 S CB 1.835 65.042 63.200 0.013 0.000 1.121 42 S HN 0.109 nan 8.310 nan 0.000 0.479 43 P HA -0.061 nan 4.420 nan 0.000 0.215 43 P C 1.572 178.876 177.300 0.008 0.000 1.157 43 P CA 2.280 65.387 63.100 0.011 0.000 0.874 43 P CB -0.194 31.513 31.700 0.012 0.000 0.790 44 A N -1.436 121.386 122.820 0.003 0.000 1.930 44 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 44 A C 2.227 179.805 177.584 -0.010 0.000 1.175 44 A CA 1.856 53.892 52.037 -0.001 0.000 0.627 44 A CB -1.366 17.630 19.000 -0.006 0.000 0.815 44 A HN 0.093 nan 8.150 nan 0.000 0.443 45 M N 0.227 119.817 119.600 -0.016 0.000 2.086 45 M HA -0.110 4.369 4.480 -0.001 0.000 0.261 45 M C 1.835 178.127 176.300 -0.015 0.000 1.067 45 M CA 1.821 57.108 55.300 -0.022 0.000 1.116 45 M CB -0.466 32.122 32.600 -0.019 0.000 1.348 45 M HN 0.375 nan 8.290 nan 0.000 0.407 46 K N -0.468 119.929 120.400 -0.005 0.000 2.044 46 K HA -0.217 4.102 4.320 -0.001 0.000 0.210 46 K C 1.978 178.571 176.600 -0.011 0.000 1.049 46 K CA 1.574 57.858 56.287 -0.004 0.000 0.927 46 K CB -0.257 32.248 32.500 0.008 0.000 0.713 46 K HN 0.123 nan 8.250 nan 0.000 0.443 47 K N 0.630 121.030 120.400 0.000 0.000 2.057 47 K HA -0.081 4.238 4.320 -0.001 0.000 0.207 47 K C 2.017 178.604 176.600 -0.022 0.000 1.049 47 K CA 0.903 57.196 56.287 0.010 0.000 0.931 47 K CB -0.503 32.012 32.500 0.024 0.000 0.714 47 K HN -0.035 nan 8.250 nan 0.000 0.440 48 V N 0.516 120.412 119.914 -0.029 0.000 2.379 48 V HA -0.152 3.967 4.120 -0.001 0.000 0.245 48 V C 1.998 178.040 176.094 -0.087 0.000 1.044 48 V CA 0.982 63.256 62.300 -0.043 0.000 1.036 48 V CB -0.358 31.452 31.823 -0.021 0.000 0.664 48 V HN 0.107 nan 8.190 nan 0.000 0.453 49 L N 0.603 121.780 121.223 -0.077 0.000 2.079 49 L HA -0.127 4.212 4.340 -0.001 0.000 0.210 49 L C 2.583 179.342 176.870 -0.185 0.000 1.081 49 L CA 2.218 57.001 54.840 -0.095 0.000 0.752 49 L CB -1.436 40.591 42.059 -0.054 0.000 0.896 49 L HN 0.311 nan 8.230 nan 0.000 0.433 50 A N -0.411 122.274 122.820 -0.225 0.000 1.858 50 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 50 A C 2.318 179.260 177.584 -1.069 0.000 1.190 50 A CA 1.755 53.516 52.037 -0.460 0.000 0.617 50 A CB -0.762 18.123 19.000 -0.192 0.000 0.827 50 A HN 0.345 nan 8.150 nan 0.000 0.443 51 I N 0.205 120.372 120.570 -0.673 0.000 2.248 51 I HA -0.307 3.862 4.170 -0.001 0.000 0.248 51 I C 2.323 178.229 176.117 -0.351 0.000 1.107 51 I CA 1.642 62.652 61.300 -0.484 0.000 1.373 51 I CB -0.465 37.486 38.000 -0.082 0.000 1.055 51 I HN 0.433 nan 8.210 nan 0.000 0.418 52 N N 1.260 119.801 118.700 -0.266 0.000 2.258 52 N HA -0.205 4.534 4.740 -0.001 0.000 0.187 52 N C 1.706 177.115 175.510 -0.169 0.000 1.012 52 N CA 1.501 54.453 53.050 -0.164 0.000 0.870 52 N CB -0.043 38.373 38.487 -0.118 0.000 0.977 52 N HN 0.266 nan 8.380 nan 0.000 0.434 53 R N -1.455 118.876 120.500 -0.281 0.000 2.334 53 R HA 0.098 4.437 4.340 -0.001 0.000 0.216 53 R C 0.258 176.562 176.300 0.007 0.000 0.905 53 R CA 0.141 56.148 56.100 -0.154 0.000 1.064 53 R CB 0.261 30.478 30.300 -0.139 0.000 1.046 53 R HN 0.321 nan 8.270 nan 0.000 0.508 54 Y N -0.757 119.546 120.300 0.004 0.000 2.507 54 Y HA 0.119 4.669 4.550 -0.001 0.000 0.254 54 Y C 2.015 177.933 175.900 0.030 0.000 1.171 54 Y CA -0.278 57.830 58.100 0.014 0.000 1.238 54 Y CB -0.343 38.125 38.460 0.013 0.000 1.148 54 Y HN -0.009 nan 8.280 nan 0.000 0.525 55 T N -4.025 110.612 114.554 0.138 0.000 2.985 55 T HA 0.206 4.555 4.350 -0.001 0.000 0.266 55 T C 2.078 176.901 174.700 0.205 0.000 1.076 55 T CA 1.024 63.208 62.100 0.139 0.000 1.135 55 T CB -0.418 68.467 68.868 0.028 0.000 0.890 55 T HN 0.460 nan 8.240 nan 0.000 0.480 56 G N 1.417 110.293 108.800 0.127 0.000 2.176 56 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.253 56 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.253 56 G C 0.049 174.950 174.900 0.002 0.000 0.979 56 G CA 0.017 45.203 45.100 0.144 0.000 0.641 56 G HN 0.667 nan 8.290 nan 0.000 0.530 57 I N 1.271 121.715 120.570 -0.211 0.000 2.396 57 I HA 0.227 4.396 4.170 -0.001 0.000 0.289 57 I C 1.408 177.417 176.117 -0.180 0.000 1.056 57 I CA -0.028 61.051 61.300 -0.368 0.000 1.365 57 I CB 1.162 38.861 38.000 -0.500 0.000 1.407 57 I HN 0.135 nan 8.210 nan 0.000 0.509 58 D N 4.668 124.979 120.400 -0.148 0.000 2.110 58 D HA -0.046 4.593 4.640 -0.001 0.000 0.202 58 D C 0.268 176.499 176.300 -0.115 0.000 0.975 58 D CA 1.526 55.464 54.000 -0.103 0.000 0.839 58 D CB 0.551 41.301 40.800 -0.084 0.000 0.996 58 D HN 0.423 nan 8.370 nan 0.000 0.464 59 Q N -0.075 119.633 119.800 -0.154 0.000 2.359 59 Q HA 0.462 4.801 4.340 -0.001 0.000 0.274 59 Q C -0.856 175.050 176.000 -0.157 0.000 1.074 59 Q CA -0.592 55.125 55.803 -0.143 0.000 0.810 59 Q CB 2.641 31.281 28.738 -0.162 0.000 1.342 59 Q HN 0.085 nan 8.270 nan 0.000 0.427 60 R N 0.355 120.800 120.500 -0.091 0.000 2.637 60 R HA 0.538 4.877 4.340 -0.001 0.000 0.291 60 R C -0.489 175.822 176.300 0.018 0.000 0.963 60 R CA -0.568 55.506 56.100 -0.044 0.000 0.901 60 R CB 1.877 32.164 30.300 -0.021 0.000 1.160 60 R HN 0.483 nan 8.270 nan 0.000 0.457 61 S N 0.930 116.680 115.700 0.084 0.000 2.528 61 S HA 0.223 4.692 4.470 -0.001 0.000 0.277 61 S C -0.258 174.443 174.600 0.168 0.000 1.297 61 S CA -0.097 58.202 58.200 0.164 0.000 1.052 61 S CB 1.200 64.589 63.200 0.316 0.000 0.917 61 S HN 0.516 nan 8.310 nan 0.000 0.492 62 S N 1.279 117.085 115.700 0.178 0.000 2.564 62 S HA 0.423 4.892 4.470 -0.001 0.000 0.274 62 S C 0.879 175.594 174.600 0.192 0.000 1.124 62 S CA -0.923 57.363 58.200 0.142 0.000 0.869 62 S CB 0.671 63.922 63.200 0.085 0.000 1.105 62 S HN 0.666 nan 8.310 nan 0.000 0.472 63 I N 1.177 121.809 120.570 0.105 0.000 3.001 63 I HA 0.409 4.578 4.170 -0.001 0.000 0.268 63 I C 0.866 177.033 176.117 0.085 0.000 1.267 63 I CA 0.450 61.821 61.300 0.119 0.000 1.472 63 I CB -0.567 37.436 38.000 0.004 0.000 1.089 63 I HN 0.492 nan 8.210 nan 0.000 0.468 64 G N 1.035 109.751 108.800 -0.139 0.000 2.788 64 G HA2 0.495 4.454 3.960 -0.001 0.000 0.293 64 G HA3 0.495 4.454 3.960 -0.001 0.000 0.293 64 G C -1.572 172.949 174.900 -0.632 0.000 1.392 64 G CA -0.620 44.154 45.100 -0.543 0.000 0.810 64 G HN 0.385 nan 8.290 nan 0.000 0.508 65 N N -1.321 117.005 118.700 -0.623 0.000 2.592 65 N HA 0.579 5.318 4.740 -0.001 0.000 0.292 65 N C -2.273 173.183 175.510 -0.090 0.000 1.260 65 N CA -1.920 50.971 53.050 -0.265 0.000 0.910 65 N CB 1.070 39.446 38.487 -0.185 0.000 1.257 65 N HN 0.085 nan 8.380 nan 0.000 0.569 66 P HA -0.007 nan 4.420 nan 0.000 0.229 66 P C -0.404 176.926 177.300 0.050 0.000 1.150 66 P CA 1.014 64.132 63.100 0.029 0.000 0.765 66 P CB 0.116 31.837 31.700 0.035 0.000 0.783 67 D N -3.250 117.165 120.400 0.024 0.000 2.339 67 D HA -0.035 4.604 4.640 -0.001 0.000 0.217 67 D C 0.633 176.948 176.300 0.025 0.000 1.050 67 D CA 0.164 54.180 54.000 0.028 0.000 0.856 67 D CB -0.659 40.144 40.800 0.006 0.000 0.922 67 D HN 0.259 nan 8.370 nan 0.000 0.518 68 H N 1.578 120.613 119.070 -0.058 0.000 3.034 68 H HA -0.024 4.531 4.556 -0.001 0.000 0.324 68 H C -1.513 173.801 175.328 -0.023 0.000 1.015 68 H CA -0.701 55.311 56.048 -0.060 0.000 1.429 68 H CB 1.515 31.221 29.762 -0.092 0.000 1.429 68 H HN -0.114 nan 8.280 nan 0.000 0.585 69 P HA -0.160 nan 4.420 nan 0.000 0.218 69 P C 1.829 179.199 177.300 0.116 0.000 1.149 69 P CA 0.490 63.590 63.100 0.000 0.000 0.817 69 P CB 0.211 31.860 31.700 -0.085 0.000 0.785 70 L N 0.459 121.874 121.223 0.319 0.000 2.043 70 L HA -0.131 4.208 4.340 -0.001 0.000 0.212 70 L C 1.807 178.712 176.870 0.060 0.000 1.075 70 L CA 1.875 56.821 54.840 0.176 0.000 0.752 70 L CB -0.895 41.248 42.059 0.141 0.000 0.891 70 L HN -0.064 nan 8.230 nan 0.000 0.432 71 V N -3.874 116.079 119.914 0.065 0.000 3.596 71 V HA 0.230 4.349 4.120 -0.001 0.000 0.289 71 V C 0.711 176.755 176.094 -0.083 0.000 1.336 71 V CA 0.613 62.900 62.300 -0.021 0.000 1.137 71 V CB -0.961 30.863 31.823 0.002 0.000 0.966 71 V HN 0.481 nan 8.190 nan 0.000 0.428 72 N N 0.570 119.253 118.700 -0.029 0.000 2.338 72 N HA 0.267 5.006 4.740 -0.001 0.000 0.251 72 N C 0.033 175.520 175.510 -0.039 0.000 1.199 72 N CA -0.271 52.786 53.050 0.012 0.000 0.879 72 N CB 0.556 39.133 38.487 0.151 0.000 1.159 72 N HN 0.512 nan 8.380 nan 0.000 0.514 73 K N 0.320 120.635 120.400 -0.141 0.000 2.098 73 K HA 0.256 4.575 4.320 -0.001 0.000 0.244 73 K C -1.576 174.934 176.600 -0.151 0.000 1.014 73 K CA -1.711 54.519 56.287 -0.095 0.000 0.917 73 K CB 0.512 32.968 32.500 -0.073 0.000 1.072 73 K HN -0.181 nan 8.250 nan 0.000 0.477 74 P HA -0.146 nan 4.420 nan 0.000 0.216 74 P C -0.282 176.958 177.300 -0.100 0.000 1.150 74 P CA 1.441 64.515 63.100 -0.044 0.000 0.843 74 P CB 0.224 31.917 31.700 -0.012 0.000 0.787 75 N N -1.746 116.893 118.700 -0.103 0.000 2.432 75 N HA 0.330 5.069 4.740 -0.001 0.000 0.292 75 N C -2.679 172.755 175.510 -0.127 0.000 1.193 75 N CA -2.147 50.845 53.050 -0.097 0.000 0.878 75 N CB 0.140 38.594 38.487 -0.055 0.000 1.252 75 N HN -0.184 nan 8.380 nan 0.000 0.520 76 P HA 0.121 nan 4.420 nan 0.000 0.268 76 P C -2.325 174.936 177.300 -0.064 0.000 1.208 76 P CA -0.494 62.557 63.100 -0.081 0.000 0.777 76 P CB -0.228 31.447 31.700 -0.041 0.000 0.875 77 P HA 0.032 nan 4.420 nan 0.000 0.272 77 P C -0.169 177.108 177.300 -0.038 0.000 1.230 77 P CA 0.031 63.111 63.100 -0.034 0.000 0.788 77 P CB 0.143 31.835 31.700 -0.013 0.000 0.949 78 T N -2.373 112.158 114.554 -0.038 0.000 2.816 78 T HA 0.075 4.424 4.350 -0.001 0.000 0.282 78 T C 1.280 175.942 174.700 -0.063 0.000 0.993 78 T CA -0.552 61.511 62.100 -0.061 0.000 0.994 78 T CB 0.494 69.327 68.868 -0.057 0.000 1.025 78 T HN 0.162 nan 8.240 nan 0.000 0.529 79 V N 1.040 120.879 119.914 -0.125 0.000 2.469 79 V HA -0.140 3.980 4.120 -0.001 0.000 0.251 79 V C 2.705 178.773 176.094 -0.043 0.000 1.064 79 V CA 2.428 64.635 62.300 -0.156 0.000 1.066 79 V CB -0.934 30.668 31.823 -0.369 0.000 0.667 79 V HN 1.020 nan 8.190 nan 0.000 0.461 80 K N -0.321 120.057 120.400 -0.036 0.000 2.057 80 K HA -0.228 4.091 4.320 -0.001 0.000 0.207 80 K C 2.027 178.675 176.600 0.081 0.000 1.049 80 K CA 2.171 58.474 56.287 0.026 0.000 0.931 80 K CB -0.198 32.301 32.500 -0.001 0.000 0.714 80 K HN 0.687 nan 8.250 nan 0.000 0.440 81 E N 0.680 120.906 120.200 0.043 0.000 2.106 81 E HA -0.163 4.187 4.350 -0.001 0.000 0.192 81 E C 2.133 178.774 176.600 0.069 0.000 0.984 81 E CA 0.979 57.409 56.400 0.049 0.000 0.806 81 E CB -0.062 29.652 29.700 0.024 0.000 0.750 81 E HN 0.291 nan 8.360 nan 0.000 0.458 82 L N 0.757 122.027 121.223 0.078 0.000 2.017 82 L HA -0.228 4.111 4.340 -0.001 0.000 0.208 82 L C 2.826 179.804 176.870 0.181 0.000 1.073 82 L CA 1.438 56.350 54.840 0.120 0.000 0.745 82 L CB -0.791 41.352 42.059 0.139 0.000 0.894 82 L HN 0.351 nan 8.230 nan 0.000 0.432 83 H N 0.876 120.005 119.070 0.099 0.000 2.352 83 H HA -0.206 4.349 4.556 -0.001 0.000 0.299 83 H C 1.988 177.397 175.328 0.135 0.000 1.097 83 H CA 2.081 58.197 56.048 0.112 0.000 1.311 83 H CB 0.194 29.990 29.762 0.056 0.000 1.377 83 H HN 0.453 nan 8.280 nan 0.000 0.504 84 E N -0.171 120.024 120.200 -0.008 0.000 2.118 84 E HA -0.130 4.219 4.350 -0.001 0.000 0.195 84 E C 2.448 179.010 176.600 -0.062 0.000 0.992 84 E CA 1.386 57.746 56.400 -0.066 0.000 0.804 84 E CB 0.165 29.882 29.700 0.028 0.000 0.741 84 E HN 0.286 nan 8.360 nan 0.000 0.458 85 V N 0.495 120.412 119.914 0.005 0.000 2.535 85 V HA -0.153 3.967 4.120 -0.001 0.000 0.246 85 V C 1.813 177.904 176.094 -0.006 0.000 1.045 85 V CA 0.998 63.303 62.300 0.009 0.000 1.058 85 V CB -0.409 31.422 31.823 0.013 0.000 0.689 85 V HN 0.214 nan 8.190 nan 0.000 0.461 86 F N 0.505 120.389 119.950 -0.110 0.000 2.063 86 F HA -0.306 4.220 4.527 -0.001 0.000 0.298 86 F C 2.412 178.109 175.800 -0.171 0.000 1.109 86 F CA 2.161 60.085 58.000 -0.126 0.000 1.212 86 F CB -0.094 38.852 39.000 -0.089 0.000 0.973 86 F HN 0.054 nan 8.300 nan 0.000 0.480 87 M N 0.030 119.592 119.600 -0.063 0.000 2.099 87 M HA -0.135 4.344 4.480 -0.001 0.000 0.262 87 M C 2.574 178.789 176.300 -0.140 0.000 1.067 87 M CA 1.864 57.075 55.300 -0.148 0.000 1.124 87 M CB -1.795 30.637 32.600 -0.280 0.000 1.353 87 M HN 0.368 nan 8.290 nan 0.000 0.410 88 S N -0.328 115.309 115.700 -0.105 0.000 2.387 88 S HA -0.110 4.359 4.470 -0.001 0.000 0.226 88 S C 1.190 175.757 174.600 -0.056 0.000 1.026 88 S CA 1.572 59.737 58.200 -0.060 0.000 0.972 88 S CB -0.353 62.834 63.200 -0.021 0.000 0.814 88 S HN 0.443 nan 8.310 nan 0.000 0.477 89 D N 0.455 120.805 120.400 -0.084 0.000 2.454 89 D HA 0.294 4.933 4.640 -0.001 0.000 0.219 89 D C 1.923 178.127 176.300 -0.161 0.000 1.081 89 D CA 0.592 54.547 54.000 -0.075 0.000 0.867 89 D CB 0.007 40.791 40.800 -0.028 0.000 1.054 89 D HN 0.465 nan 8.370 nan 0.000 0.500 90 G N 0.389 108.998 108.800 -0.318 0.000 2.447 90 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.211 90 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.211 90 G C 1.670 176.302 174.900 -0.446 0.000 1.184 90 G CA 0.113 44.896 45.100 -0.529 0.000 0.813 90 G HN 0.111 nan 8.290 nan 0.000 0.540 91 V N 2.362 122.041 119.914 -0.391 0.000 2.278 91 V HA -0.155 3.964 4.120 -0.001 0.000 0.251 91 V C 0.320 176.374 176.094 -0.066 0.000 1.062 91 V CA 2.480 64.689 62.300 -0.152 0.000 1.038 91 V CB -1.149 30.660 31.823 -0.023 0.000 0.646 91 V HN 0.276 nan 8.190 nan 0.000 0.447 92 P HA -0.167 nan 4.420 nan 0.000 0.216 92 P C 1.862 179.141 177.300 -0.035 0.000 1.150 92 P CA 1.498 64.579 63.100 -0.032 0.000 0.843 92 P CB -0.097 31.586 31.700 -0.028 0.000 0.787 93 L N -1.277 119.904 121.223 -0.069 0.000 2.046 93 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 93 L C 2.516 179.357 176.870 -0.049 0.000 1.077 93 L CA 1.641 56.443 54.840 -0.064 0.000 0.747 93 L CB -1.308 40.691 42.059 -0.099 0.000 0.896 93 L HN -0.049 nan 8.230 nan 0.000 0.432 94 A N -0.196 122.596 122.820 -0.046 0.000 1.902 94 A HA -0.129 4.190 4.320 -0.001 0.000 0.217 94 A C 2.353 179.965 177.584 0.047 0.000 1.181 94 A CA 1.675 53.727 52.037 0.025 0.000 0.623 94 A CB -0.794 18.268 19.000 0.103 0.000 0.818 94 A HN 0.184 nan 8.150 nan 0.000 0.443 95 V N 0.041 119.978 119.914 0.039 0.000 2.343 95 V HA -0.234 3.885 4.120 -0.001 0.000 0.247 95 V C 2.625 178.729 176.094 0.017 0.000 1.051 95 V CA 2.435 64.756 62.300 0.035 0.000 1.036 95 V CB -0.677 31.166 31.823 0.035 0.000 0.654 95 V HN 0.697 nan 8.190 nan 0.000 0.451 96 E N 0.719 120.923 120.200 0.007 0.000 2.072 96 E HA -0.118 4.231 4.350 -0.001 0.000 0.191 96 E C 2.142 178.742 176.600 -0.001 0.000 0.985 96 E CA 1.539 57.940 56.400 0.002 0.000 0.801 96 E CB -0.518 29.181 29.700 -0.001 0.000 0.750 96 E HN 0.482 nan 8.360 nan 0.000 0.452 97 A N -0.065 122.752 122.820 -0.005 0.000 1.902 97 A HA -0.174 4.145 4.320 -0.001 0.000 0.217 97 A C 2.443 180.029 177.584 0.003 0.000 1.181 97 A CA 1.988 54.021 52.037 -0.006 0.000 0.623 97 A CB -0.780 18.213 19.000 -0.012 0.000 0.818 97 A HN 0.292 nan 8.150 nan 0.000 0.443 98 S N -0.596 115.111 115.700 0.013 0.000 2.368 98 S HA -0.139 4.330 4.470 -0.001 0.000 0.225 98 S C 2.079 176.678 174.600 -0.001 0.000 1.030 98 S CA 1.257 59.462 58.200 0.010 0.000 0.999 98 S CB -0.308 62.906 63.200 0.022 0.000 0.844 98 S HN 0.590 nan 8.310 nan 0.000 0.459 99 R N 1.198 121.699 120.500 0.001 0.000 2.073 99 R HA -0.051 4.288 4.340 -0.001 0.000 0.234 99 R C 2.348 178.645 176.300 -0.006 0.000 1.134 99 R CA 1.282 57.381 56.100 -0.002 0.000 0.952 99 R CB -0.248 30.053 30.300 0.001 0.000 0.850 99 R HN 0.363 nan 8.270 nan 0.000 0.433 100 K N 0.273 120.670 120.400 -0.005 0.000 2.057 100 K HA -0.115 4.204 4.320 -0.001 0.000 0.207 100 K C 2.189 178.781 176.600 -0.014 0.000 1.049 100 K CA 1.466 57.749 56.287 -0.006 0.000 0.931 100 K CB -0.185 32.313 32.500 -0.003 0.000 0.714 100 K HN 0.147 nan 8.250 nan 0.000 0.440 101 A N 1.349 124.157 122.820 -0.020 0.000 1.877 101 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 101 A C 2.177 179.742 177.584 -0.032 0.000 1.186 101 A CA 1.671 53.687 52.037 -0.035 0.000 0.620 101 A CB -0.520 18.448 19.000 -0.052 0.000 0.822 101 A HN 0.184 nan 8.150 nan 0.000 0.443 102 M N -0.483 119.102 119.600 -0.025 0.000 2.108 102 M HA -0.176 4.303 4.480 -0.001 0.000 0.261 102 M C 2.527 178.816 176.300 -0.018 0.000 1.066 102 M CA 1.522 56.810 55.300 -0.021 0.000 1.107 102 M CB -0.457 32.133 32.600 -0.016 0.000 1.356 102 M HN 0.490 nan 8.290 nan 0.000 0.406 103 A N 0.017 122.828 122.820 -0.015 0.000 1.902 103 A HA -0.231 4.088 4.320 -0.001 0.000 0.217 103 A C 1.987 179.562 177.584 -0.015 0.000 1.181 103 A CA 2.067 54.096 52.037 -0.012 0.000 0.623 103 A CB -0.809 18.186 19.000 -0.009 0.000 0.818 103 A HN 0.589 nan 8.150 nan 0.000 0.443 104 E N -0.195 119.994 120.200 -0.018 0.000 2.072 104 E HA -0.081 4.269 4.350 -0.001 0.000 0.191 104 E C 1.916 178.500 176.600 -0.026 0.000 0.985 104 E CA 0.980 57.366 56.400 -0.022 0.000 0.801 104 E CB -0.245 29.440 29.700 -0.025 0.000 0.750 104 E HN 0.521 nan 8.360 nan 0.000 0.452 105 A N 0.507 123.310 122.820 -0.027 0.000 2.167 105 A HA 0.030 4.349 4.320 -0.001 0.000 0.214 105 A C 0.676 178.248 177.584 -0.021 0.000 1.151 105 A CA 0.638 52.658 52.037 -0.027 0.000 0.735 105 A CB -0.190 18.792 19.000 -0.031 0.000 0.802 105 A HN 0.298 nan 8.150 nan 0.000 0.467 106 R N -1.940 118.549 120.500 -0.018 0.000 3.267 106 R HA -0.117 4.222 4.340 -0.001 0.000 0.254 106 R C -1.062 175.230 176.300 -0.012 0.000 0.993 106 R CA 0.602 56.694 56.100 -0.014 0.000 0.670 106 R CB -2.468 27.824 30.300 -0.013 0.000 1.125 106 R HN 0.529 nan 8.270 nan 0.000 0.434 107 L N -0.002 121.213 121.223 -0.013 0.000 2.334 107 L HA 0.677 5.016 4.340 -0.001 0.000 0.276 107 L C 0.610 177.473 176.870 -0.010 0.000 1.014 107 L CA -1.356 53.477 54.840 -0.011 0.000 0.815 107 L CB 1.817 43.868 42.059 -0.013 0.000 1.268 107 L HN 0.027 nan 8.230 nan 0.000 0.428 108 V N 0.310 120.219 119.914 -0.008 0.000 2.716 108 V HA 0.414 4.533 4.120 -0.001 0.000 0.304 108 V C -2.009 174.079 176.094 -0.010 0.000 1.053 108 V CA -1.570 60.724 62.300 -0.008 0.000 0.984 108 V CB 1.053 32.872 31.823 -0.007 0.000 1.021 108 V HN 0.546 nan 8.190 nan 0.000 0.467 109 P HA -0.231 nan 4.420 nan 0.000 0.218 109 P C 1.588 178.878 177.300 -0.016 0.000 1.154 109 P CA 2.774 65.865 63.100 -0.015 0.000 0.872 109 P CB 0.004 31.695 31.700 -0.016 0.000 0.790 110 A N -0.873 121.939 122.820 -0.013 0.000 2.125 110 A HA -0.226 4.093 4.320 -0.001 0.000 0.219 110 A C 2.058 179.637 177.584 -0.009 0.000 1.156 110 A CA 1.395 53.425 52.037 -0.012 0.000 0.671 110 A CB -1.001 17.993 19.000 -0.009 0.000 0.794 110 A HN 0.289 nan 8.150 nan 0.000 0.459 111 Q N -0.603 119.193 119.800 -0.006 0.000 2.424 111 Q HA 0.124 4.463 4.340 -0.001 0.000 0.204 111 Q C -0.251 175.750 176.000 0.001 0.000 0.933 111 Q CA -0.086 55.717 55.803 -0.000 0.000 0.929 111 Q CB 0.177 28.915 28.738 0.000 0.000 1.037 111 Q HN 0.476 nan 8.270 nan 0.000 0.511 112 I N 1.825 122.391 120.570 -0.008 0.000 2.452 112 I HA -0.043 4.126 4.170 -0.001 0.000 0.287 112 I C 1.526 177.633 176.117 -0.016 0.000 1.079 112 I CA 0.638 61.933 61.300 -0.008 0.000 1.387 112 I CB 0.823 38.814 38.000 -0.015 0.000 1.404 112 I HN 0.157 nan 8.210 nan 0.000 0.522 113 T N 2.517 117.070 114.554 -0.003 0.000 3.023 113 T HA 0.151 4.500 4.350 -0.001 0.000 0.249 113 T C 0.483 175.039 174.700 -0.239 0.000 1.050 113 T CA 0.381 62.434 62.100 -0.078 0.000 1.088 113 T CB 0.110 68.963 68.868 -0.025 0.000 0.946 113 T HN 0.590 nan 8.240 nan 0.000 0.480 114 H N -0.262 118.737 119.070 -0.117 0.000 2.946 114 H HA 0.733 5.288 4.556 -0.001 0.000 0.365 114 H C -1.198 174.079 175.328 -0.085 0.000 1.197 114 H CA -1.033 54.948 56.048 -0.111 0.000 1.131 114 H CB 1.793 31.466 29.762 -0.148 0.000 1.849 114 H HN 0.185 nan 8.280 nan 0.000 0.555 115 M N 1.946 121.589 119.600 0.072 0.000 2.213 115 M HA 0.512 4.992 4.480 -0.001 0.000 0.286 115 M C -1.921 174.382 176.300 0.005 0.000 1.008 115 M CA -0.857 54.451 55.300 0.015 0.000 0.937 115 M CB 1.327 33.916 32.600 -0.017 0.000 1.600 115 M HN 0.381 nan 8.290 nan 0.000 0.450 116 V N 3.761 123.672 119.914 -0.004 0.000 2.378 116 V HA 0.574 4.693 4.120 -0.001 0.000 0.288 116 V C -0.421 175.681 176.094 0.012 0.000 1.016 116 V CA -0.400 61.895 62.300 -0.009 0.000 0.840 116 V CB 1.525 33.332 31.823 -0.027 0.000 0.994 116 V HN 0.937 nan 8.190 nan 0.000 0.431 117 S N 2.740 118.438 115.700 -0.004 0.000 2.600 117 S HA 0.830 5.300 4.470 -0.001 0.000 0.300 117 S C -0.245 174.389 174.600 0.058 0.000 1.087 117 S CA -0.620 57.591 58.200 0.019 0.000 0.965 117 S CB 2.252 65.373 63.200 -0.132 0.000 1.089 117 S HN 0.792 nan 8.310 nan 0.000 0.496 118 T N 0.509 115.153 114.554 0.149 0.000 2.894 118 T HA 0.732 5.081 4.350 -0.001 0.000 0.309 118 T C -1.465 173.383 174.700 0.246 0.000 1.208 118 T CA -0.289 61.894 62.100 0.138 0.000 1.016 118 T CB 1.896 70.777 68.868 0.022 0.000 1.192 118 T HN 0.655 nan 8.240 nan 0.000 0.491 119 T N 0.701 115.358 114.554 0.170 0.000 2.957 119 T HA 0.403 4.752 4.350 -0.001 0.000 0.336 119 T C 0.499 175.134 174.700 -0.108 0.000 1.462 119 T CA -0.123 62.021 62.100 0.073 0.000 1.073 119 T CB 0.355 69.318 68.868 0.159 0.000 1.319 119 T HN 0.988 nan 8.240 nan 0.000 0.485 120 C N 1.246 120.409 119.300 -0.228 0.000 3.336 120 C HA 0.418 4.877 4.460 -0.001 0.000 0.291 120 C C 1.667 176.336 174.990 -0.535 0.000 1.363 120 C CA 0.589 59.367 59.018 -0.400 0.000 1.737 120 C CB -1.612 25.917 27.740 -0.351 0.000 2.274 120 C HN 0.935 nan 8.230 nan 0.000 0.663 121 T N -3.047 111.265 114.554 -0.403 0.000 3.176 121 T HA 0.346 4.695 4.350 -0.001 0.000 0.263 121 T C -0.631 173.732 174.700 -0.561 0.000 1.021 121 T CA 0.188 62.048 62.100 -0.400 0.000 0.905 121 T CB -0.091 68.778 68.868 0.000 0.000 1.057 121 T HN 0.505 nan 8.240 nan 0.000 0.558 122 D N 0.166 120.131 120.400 -0.725 0.000 2.661 122 D HA 0.581 5.220 4.640 -0.001 0.000 0.228 122 D C -1.664 174.601 176.300 -0.057 0.000 1.210 122 D CA -0.352 53.330 54.000 -0.529 0.000 0.826 122 D CB 2.402 42.372 40.800 -1.383 0.000 1.542 122 D HN 0.059 nan 8.370 nan 0.000 0.447 123 S N 0.940 116.756 115.700 0.193 0.000 2.571 123 S HA 0.905 5.374 4.470 -0.001 0.000 0.284 123 S C -1.720 172.871 174.600 -0.016 0.000 1.128 123 S CA -0.063 58.223 58.200 0.143 0.000 0.970 123 S CB 0.870 64.226 63.200 0.261 0.000 1.039 123 S HN 0.823 nan 8.310 nan 0.000 0.485 124 A N 3.957 126.762 122.820 -0.026 0.000 2.590 124 A HA 0.714 5.033 4.320 -0.001 0.000 0.296 124 A C -1.932 175.656 177.584 0.007 0.000 1.050 124 A CA -1.020 50.983 52.037 -0.058 0.000 0.697 124 A CB 1.179 20.218 19.000 0.066 0.000 1.277 124 A HN 0.769 nan 8.150 nan 0.000 0.411 125 N N 1.814 120.512 118.700 -0.003 0.000 2.519 125 N HA 0.616 5.356 4.740 -0.001 0.000 0.286 125 N C -2.924 172.598 175.510 0.021 0.000 1.079 125 N CA -0.797 52.256 53.050 0.004 0.000 0.878 125 N CB 1.407 39.876 38.487 -0.030 0.000 1.375 125 N HN 0.556 nan 8.380 nan 0.000 0.514 126 P HA 0.229 nan 4.420 nan 0.000 0.269 126 P C 0.580 177.990 177.300 0.183 0.000 1.209 126 P CA -0.411 62.690 63.100 0.002 0.000 0.776 126 P CB 0.437 31.982 31.700 -0.259 0.000 0.876 127 G N 0.294 109.179 108.800 0.142 0.000 2.634 127 G HA2 0.121 4.080 3.960 -0.001 0.000 0.255 127 G HA3 0.121 4.080 3.960 -0.001 0.000 0.255 127 G C 0.490 175.609 174.900 0.366 0.000 1.205 127 G CA -0.410 44.814 45.100 0.207 0.000 0.884 127 G HN 0.688 nan 8.290 nan 0.000 0.549 128 Y N -0.407 120.110 120.300 0.362 0.000 2.333 128 Y HA -0.179 4.370 4.550 -0.002 0.000 0.290 128 Y C 2.121 178.251 175.900 0.383 0.000 1.144 128 Y CA 1.694 60.074 58.100 0.466 0.000 1.228 128 Y CB -0.265 38.516 38.460 0.535 0.000 0.985 128 Y HN 0.458 nan 8.280 nan 0.000 0.542 129 D N -0.244 119.915 120.400 -0.401 0.000 2.144 129 D HA -0.315 4.324 4.640 -0.001 0.000 0.199 129 D C 2.050 178.310 176.300 -0.066 0.000 0.984 129 D CA 1.968 55.768 54.000 -0.334 0.000 0.834 129 D CB -1.238 39.346 40.800 -0.360 0.000 0.955 129 D HN 0.657 nan 8.370 nan 0.000 0.465 130 H N 0.207 119.224 119.070 -0.089 0.000 2.319 130 H HA -0.223 4.332 4.556 -0.001 0.000 0.297 130 H C 1.604 176.812 175.328 -0.199 0.000 1.097 130 H CA 1.816 57.755 56.048 -0.182 0.000 1.285 130 H CB -0.360 29.211 29.762 -0.317 0.000 1.368 130 H HN 0.252 nan 8.280 nan 0.000 0.495 131 Y N -0.148 120.215 120.300 0.104 0.000 2.263 131 Y HA -0.119 4.430 4.550 -0.002 0.000 0.292 131 Y C 3.037 178.949 175.900 0.021 0.000 1.130 131 Y CA 0.863 59.012 58.100 0.082 0.000 1.179 131 Y CB -0.350 38.227 38.460 0.194 0.000 0.998 131 Y HN -0.018 nan 8.280 nan 0.000 0.532 132 V N 0.041 120.073 119.914 0.197 0.000 2.261 132 V HA -0.356 3.763 4.120 -0.001 0.000 0.246 132 V C 2.557 178.658 176.094 0.011 0.000 1.047 132 V CA 1.882 64.251 62.300 0.115 0.000 1.015 132 V CB -1.378 30.532 31.823 0.146 0.000 0.642 132 V HN 0.466 nan 8.190 nan 0.000 0.446 133 A N -0.326 122.458 122.820 -0.060 0.000 1.908 133 A HA -0.302 4.017 4.320 -0.001 0.000 0.218 133 A C 2.354 179.858 177.584 -0.133 0.000 1.181 133 A CA 2.362 54.336 52.037 -0.106 0.000 0.627 133 A CB -0.536 18.374 19.000 -0.151 0.000 0.818 133 A HN 0.553 nan 8.150 nan 0.000 0.445 134 K N -0.310 119.967 120.400 -0.206 0.000 2.057 134 K HA -0.170 4.149 4.320 -0.001 0.000 0.207 134 K C 1.922 178.486 176.600 -0.059 0.000 1.049 134 K CA 1.612 57.794 56.287 -0.175 0.000 0.931 134 K CB -0.186 32.167 32.500 -0.245 0.000 0.714 134 K HN 0.614 nan 8.250 nan 0.000 0.440 135 E N 0.457 120.650 120.200 -0.012 0.000 2.106 135 E HA -0.151 4.199 4.350 -0.001 0.000 0.192 135 E C 1.947 178.548 176.600 0.002 0.000 0.984 135 E CA 0.933 57.342 56.400 0.015 0.000 0.806 135 E CB 0.003 29.729 29.700 0.043 0.000 0.750 135 E HN 0.347 nan 8.360 nan 0.000 0.458 136 L N -0.237 120.981 121.223 -0.008 0.000 2.465 136 L HA 0.030 4.369 4.340 -0.001 0.000 0.224 136 L C 1.330 178.188 176.870 -0.019 0.000 1.145 136 L CA 0.487 55.321 54.840 -0.011 0.000 0.834 136 L CB -0.302 41.750 42.059 -0.012 0.000 0.944 136 L HN 0.239 nan 8.230 nan 0.000 0.451 137 G N 0.858 109.640 108.800 -0.030 0.000 2.225 137 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.264 137 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.264 137 G C 0.181 175.058 174.900 -0.038 0.000 1.060 137 G CA -0.145 44.936 45.100 -0.032 0.000 0.833 137 G HN 0.216 nan 8.290 nan 0.000 0.498 138 L N 0.080 121.272 121.223 -0.051 0.000 2.472 138 L HA 0.443 4.782 4.340 -0.001 0.000 0.260 138 L C 1.627 178.466 176.870 -0.052 0.000 1.209 138 L CA 0.046 54.857 54.840 -0.049 0.000 0.817 138 L CB 0.646 42.672 42.059 -0.056 0.000 1.106 138 L HN 0.340 nan 8.230 nan 0.000 0.479 139 S N 0.315 115.989 115.700 -0.045 0.000 2.558 139 S HA -0.071 4.398 4.470 -0.001 0.000 0.288 139 S C 0.946 175.518 174.600 -0.047 0.000 1.318 139 S CA -0.362 57.814 58.200 -0.041 0.000 1.056 139 S CB 0.434 63.611 63.200 -0.038 0.000 0.853 139 S HN 0.749 nan 8.310 nan 0.000 0.505 140 D N 3.871 124.248 120.400 -0.037 0.000 2.371 140 D HA -0.094 4.546 4.640 -0.001 0.000 0.221 140 D C 1.139 177.421 176.300 -0.030 0.000 0.986 140 D CA 0.803 54.784 54.000 -0.032 0.000 0.899 140 D CB -0.099 40.688 40.800 -0.021 0.000 0.902 140 D HN 0.613 nan 8.370 nan 0.000 0.530 141 R N -0.352 120.127 120.500 -0.035 0.000 2.393 141 R HA 0.200 4.539 4.340 -0.001 0.000 0.244 141 R C 0.310 176.575 176.300 -0.058 0.000 0.920 141 R CA -0.743 55.334 56.100 -0.039 0.000 1.076 141 R CB 0.184 30.464 30.300 -0.034 0.000 1.119 141 R HN 0.125 nan 8.270 nan 0.000 0.524 142 L N 2.630 123.815 121.223 -0.064 0.000 2.578 142 L HA -0.060 4.279 4.340 -0.001 0.000 0.279 142 L C -0.020 176.794 176.870 -0.092 0.000 1.227 142 L CA 0.793 55.582 54.840 -0.086 0.000 0.900 142 L CB 0.317 42.333 42.059 -0.071 0.000 1.144 142 L HN 0.071 nan 8.230 nan 0.000 0.496 143 E N 5.835 125.946 120.200 -0.150 0.000 2.167 143 E HA 0.257 4.606 4.350 -0.001 0.000 0.284 143 E C -0.753 175.823 176.600 -0.042 0.000 1.016 143 E CA -0.427 55.906 56.400 -0.112 0.000 0.817 143 E CB 0.847 30.435 29.700 -0.187 0.000 1.080 143 E HN 0.477 nan 8.360 nan 0.000 0.397 144 K N 1.825 122.213 120.400 -0.019 0.000 2.259 144 K HA 0.531 4.850 4.320 -0.001 0.000 0.252 144 K C -0.970 175.629 176.600 -0.001 0.000 0.936 144 K CA -0.851 55.430 56.287 -0.011 0.000 0.810 144 K CB 2.317 34.801 32.500 -0.027 0.000 1.143 144 K HN 0.176 nan 8.250 nan 0.000 0.427 145 V N 3.686 123.597 119.914 -0.004 0.000 2.443 145 V HA 0.248 4.367 4.120 -0.001 0.000 0.293 145 V C -1.157 174.927 176.094 -0.018 0.000 1.021 145 V CA -0.899 61.398 62.300 -0.005 0.000 0.848 145 V CB 1.537 33.359 31.823 -0.002 0.000 0.998 145 V HN 0.523 nan 8.190 nan 0.000 0.424 146 L N 6.963 128.177 121.223 -0.014 0.000 2.276 146 L HA 0.592 4.932 4.340 -0.001 0.000 0.286 146 L C -0.478 176.414 176.870 0.037 0.000 1.024 146 L CA 0.161 54.997 54.840 -0.007 0.000 0.826 146 L CB 0.957 43.002 42.059 -0.023 0.000 1.211 146 L HN 0.515 nan 8.230 nan 0.000 0.422 147 L N 5.187 126.438 121.223 0.046 0.000 2.371 147 L HA 0.419 4.758 4.340 -0.001 0.000 0.272 147 L C 0.066 177.007 176.870 0.117 0.000 1.124 147 L CA -0.300 54.574 54.840 0.057 0.000 0.816 147 L CB 0.800 42.868 42.059 0.014 0.000 1.129 147 L HN 0.615 nan 8.230 nan 0.000 0.448 148 H N 0.627 119.693 119.070 -0.007 0.000 2.907 148 H HA 0.351 4.906 4.556 -0.002 0.000 0.361 148 H C 0.617 175.938 175.328 -0.012 0.000 1.194 148 H CA 0.318 56.360 56.048 -0.010 0.000 1.152 148 H CB 2.407 32.172 29.762 0.005 0.000 1.867 148 H HN 0.659 nan 8.280 nan 0.000 0.561 149 G N 1.523 110.139 108.800 -0.306 0.000 2.199 149 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.254 149 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.254 149 G C 0.870 175.709 174.900 -0.102 0.000 0.982 149 G CA 0.704 45.728 45.100 -0.126 0.000 0.632 149 G HN 0.668 nan 8.290 nan 0.000 0.529 150 I N -1.707 118.785 120.570 -0.130 0.000 4.139 150 I HA 0.540 4.709 4.170 -0.001 0.000 0.335 150 I C 1.313 177.350 176.117 -0.133 0.000 1.327 150 I CA 0.380 61.619 61.300 -0.102 0.000 1.112 150 I CB 0.110 38.060 38.000 -0.084 0.000 1.058 150 I HN 1.160 nan 8.210 nan 0.000 0.396 154 G N 2.063 110.737 108.800 -0.211 0.000 2.469 154 G HA2 0.107 4.066 3.960 -0.001 0.000 0.220 154 G HA3 0.107 4.066 3.960 -0.001 0.000 0.220 154 G C 1.318 176.090 174.900 -0.214 0.000 1.136 154 G CA 1.155 46.148 45.100 -0.179 0.000 0.759 154 G HN 0.852 nan 8.290 nan 0.000 0.562 155 G N 0.720 109.320 108.800 -0.334 0.000 2.414 155 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.215 155 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.215 155 G C 1.778 176.466 174.900 -0.353 0.000 1.188 155 G CA 0.690 45.453 45.100 -0.562 0.000 0.783 155 G HN 0.411 nan 8.290 nan 0.000 0.537 156 L N 0.548 121.622 121.223 -0.247 0.000 2.109 156 L HA 0.031 4.370 4.340 -0.001 0.000 0.207 156 L C 3.419 180.218 176.870 -0.119 0.000 1.086 156 L CA 0.828 55.592 54.840 -0.126 0.000 0.760 156 L CB -0.433 41.554 42.059 -0.120 0.000 0.910 156 L HN 0.319 nan 8.230 nan 0.000 0.437 157 A N 0.327 123.068 122.820 -0.132 0.000 1.940 157 A HA -0.216 4.103 4.320 -0.001 0.000 0.219 157 A C 2.520 180.037 177.584 -0.112 0.000 1.176 157 A CA 1.862 53.827 52.037 -0.120 0.000 0.631 157 A CB -0.614 18.324 19.000 -0.103 0.000 0.814 157 A HN 0.414 nan 8.150 nan 0.000 0.446 158 A N -0.687 122.084 122.820 -0.082 0.000 1.898 158 A HA -0.000 4.319 4.320 -0.001 0.000 0.216 158 A C 2.122 179.682 177.584 -0.039 0.000 1.181 158 A CA 1.672 53.687 52.037 -0.038 0.000 0.620 158 A CB -0.580 18.432 19.000 0.020 0.000 0.819 158 A HN 0.653 nan 8.150 nan 0.000 0.442 159 L N -0.007 121.219 121.223 0.006 0.000 2.017 159 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 159 L C 2.478 179.194 176.870 -0.257 0.000 1.073 159 L CA 2.479 57.293 54.840 -0.045 0.000 0.745 159 L CB -0.607 41.487 42.059 0.058 0.000 0.894 159 L HN 0.495 nan 8.230 nan 0.000 0.432 160 R N -1.354 118.947 120.500 -0.331 0.000 2.073 160 R HA -0.154 4.185 4.340 -0.001 0.000 0.234 160 R C 2.036 178.020 176.300 -0.526 0.000 1.134 160 R CA 2.005 57.725 56.100 -0.633 0.000 0.952 160 R CB -0.501 29.485 30.300 -0.523 0.000 0.850 160 R HN 0.409 nan 8.270 nan 0.000 0.433 161 T N 0.828 115.203 114.554 -0.297 0.000 2.652 161 T HA -0.177 4.172 4.350 -0.001 0.000 0.267 161 T C 1.873 176.436 174.700 -0.228 0.000 1.039 161 T CA 1.611 63.585 62.100 -0.210 0.000 1.153 161 T CB -0.446 68.347 68.868 -0.126 0.000 0.863 161 T HN 0.495 nan 8.240 nan 0.000 0.428 162 A N 1.405 124.091 122.820 -0.223 0.000 1.940 162 A HA 0.088 4.407 4.320 -0.001 0.000 0.219 162 A C 2.638 180.051 177.584 -0.284 0.000 1.176 162 A CA 1.959 53.854 52.037 -0.237 0.000 0.631 162 A CB -1.099 17.792 19.000 -0.182 0.000 0.814 162 A HN 0.533 nan 8.150 nan 0.000 0.446 163 A N 0.351 122.952 122.820 -0.365 0.000 1.877 163 A HA -0.206 4.113 4.320 -0.001 0.000 0.216 163 A C 1.937 179.366 177.584 -0.258 0.000 1.186 163 A CA 1.806 53.605 52.037 -0.396 0.000 0.620 163 A CB -0.645 17.835 19.000 -0.866 0.000 0.822 163 A HN 0.542 nan 8.150 nan 0.000 0.443 164 N N 0.258 118.797 118.700 -0.268 0.000 2.104 164 N HA -0.114 4.625 4.740 -0.001 0.000 0.190 164 N C 1.660 177.116 175.510 -0.090 0.000 1.024 164 N CA 1.443 54.434 53.050 -0.099 0.000 0.853 164 N CB -0.549 37.887 38.487 -0.084 0.000 1.008 164 N HN 0.523 nan 8.380 nan 0.000 0.424 165 L N -0.056 121.063 121.223 -0.174 0.000 2.056 165 L HA -0.152 4.188 4.340 -0.001 0.000 0.207 165 L C 2.475 179.179 176.870 -0.277 0.000 1.078 165 L CA 0.776 55.472 54.840 -0.240 0.000 0.749 165 L CB -0.502 41.307 42.059 -0.417 0.000 0.901 165 L HN 0.204 nan 8.230 nan 0.000 0.433 166 C N 0.027 119.163 119.300 -0.273 0.000 2.413 166 C HA -0.175 4.285 4.460 -0.001 0.000 0.276 166 C C 2.752 177.730 174.990 -0.020 0.000 1.248 166 C CA 0.730 59.648 59.018 -0.166 0.000 1.742 166 C CB -0.784 26.881 27.740 -0.125 0.000 2.017 166 C HN 0.426 nan 8.230 nan 0.000 0.481 167 L N 0.439 121.663 121.223 0.001 0.000 2.201 167 L HA -0.005 4.335 4.340 -0.001 0.000 0.212 167 L C 2.724 179.638 176.870 0.073 0.000 1.105 167 L CA 1.384 56.258 54.840 0.057 0.000 0.775 167 L CB -0.938 41.175 42.059 0.089 0.000 0.913 167 L HN 0.512 nan 8.230 nan 0.000 0.440 168 G N -1.300 107.544 108.800 0.074 0.000 2.421 168 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.216 168 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.216 168 G C 1.423 176.428 174.900 0.175 0.000 1.171 168 G CA 0.519 45.688 45.100 0.115 0.000 0.775 168 G HN 0.413 nan 8.290 nan 0.000 0.543 169 H N -0.042 119.055 119.070 0.045 0.000 2.357 169 H HA -0.069 4.486 4.556 -0.001 0.000 0.301 169 H C 2.988 178.339 175.328 0.038 0.000 1.082 169 H CA 1.396 57.481 56.048 0.062 0.000 1.342 169 H CB 0.062 29.887 29.762 0.105 0.000 1.389 169 H HN 0.282 nan 8.280 nan 0.000 0.511 170 T N 0.707 115.347 114.554 0.143 0.000 2.665 170 T HA -0.218 4.131 4.350 -0.001 0.000 0.268 170 T C 2.224 176.953 174.700 0.048 0.000 1.035 170 T CA 1.266 63.413 62.100 0.078 0.000 1.151 170 T CB -0.455 68.453 68.868 0.066 0.000 0.862 170 T HN 0.451 nan 8.240 nan 0.000 0.438 171 A N 1.187 124.036 122.820 0.049 0.000 2.070 171 A HA -0.072 4.247 4.320 -0.001 0.000 0.220 171 A C 2.205 179.795 177.584 0.010 0.000 1.159 171 A CA 1.146 53.201 52.037 0.030 0.000 0.656 171 A CB -0.337 18.683 19.000 0.035 0.000 0.800 171 A HN 0.424 nan 8.150 nan 0.000 0.453 172 R N -1.480 119.016 120.500 -0.006 0.000 2.334 172 R HA 0.224 4.563 4.340 -0.001 0.000 0.216 172 R C 1.007 177.282 176.300 -0.041 0.000 0.905 172 R CA 0.450 56.527 56.100 -0.039 0.000 1.064 172 R CB 0.043 30.290 30.300 -0.088 0.000 1.046 172 R HN 0.614 nan 8.270 nan 0.000 0.508 173 G N 2.251 111.042 108.800 -0.016 0.000 2.221 173 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.265 173 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.265 173 G C -0.251 174.640 174.900 -0.013 0.000 1.041 173 G CA 0.343 45.438 45.100 -0.008 0.000 0.807 173 G HN 0.245 nan 8.290 nan 0.000 0.502 174 K N 0.388 120.776 120.400 -0.020 0.000 2.221 174 K HA 0.499 4.819 4.320 -0.001 0.000 0.258 174 K C -2.530 174.138 176.600 0.112 0.000 0.944 174 K CA -2.289 53.989 56.287 -0.015 0.000 0.823 174 K CB 2.112 34.481 32.500 -0.217 0.000 1.113 174 K HN -0.046 nan 8.250 nan 0.000 0.431 175 P HA 0.016 nan 4.420 nan 0.000 0.268 175 P C -1.460 175.978 177.300 0.229 0.000 1.205 175 P CA -0.129 63.048 63.100 0.128 0.000 0.771 175 P CB 0.838 32.586 31.700 0.081 0.000 0.858 176 A N 3.662 126.573 122.820 0.150 0.000 2.359 176 A HA 0.692 5.012 4.320 -0.001 0.000 0.303 176 A C -0.672 176.930 177.584 0.029 0.000 1.066 176 A CA -0.604 51.487 52.037 0.091 0.000 0.730 176 A CB 1.253 20.252 19.000 -0.003 0.000 1.211 176 A HN 0.335 nan 8.150 nan 0.000 0.439 177 R N 2.791 123.310 120.500 0.032 0.000 2.468 177 R HA 0.445 4.784 4.340 -0.001 0.000 0.302 177 R C -1.478 174.823 176.300 0.001 0.000 1.041 177 R CA -0.221 55.881 56.100 0.002 0.000 0.899 177 R CB 1.106 31.409 30.300 0.006 0.000 1.167 177 R HN 0.704 nan 8.270 nan 0.000 0.483 178 I N 3.776 124.322 120.570 -0.040 0.000 2.362 178 I HA 0.221 4.390 4.170 -0.001 0.000 0.289 178 I C 0.035 176.122 176.117 -0.051 0.000 0.994 178 I CA -1.272 60.002 61.300 -0.044 0.000 1.158 178 I CB 1.800 39.722 38.000 -0.130 0.000 1.315 178 I HN 0.222 nan 8.210 nan 0.000 0.451 179 L N 9.001 130.208 121.223 -0.028 0.000 2.369 179 L HA 0.276 4.615 4.340 -0.001 0.000 0.279 179 L C -0.442 176.415 176.870 -0.021 0.000 1.108 179 L CA 0.252 55.074 54.840 -0.030 0.000 0.852 179 L CB 0.755 42.804 42.059 -0.015 0.000 1.169 179 L HN 0.311 nan 8.230 nan 0.000 0.452 180 V N 6.961 126.856 119.914 -0.032 0.000 2.357 180 V HA 0.470 4.589 4.120 -0.001 0.000 0.284 180 V C -0.360 175.824 176.094 0.151 0.000 1.018 180 V CA -0.592 61.730 62.300 0.036 0.000 0.841 180 V CB 1.237 33.058 31.823 -0.005 0.000 0.991 180 V HN 0.665 nan 8.190 nan 0.000 0.437 181 L N 4.862 126.200 121.223 0.192 0.000 2.385 181 L HA 0.968 5.307 4.340 -0.001 0.000 0.273 181 L C -0.192 176.818 176.870 0.233 0.000 0.990 181 L CA -0.366 54.606 54.840 0.220 0.000 0.821 181 L CB 1.804 43.960 42.059 0.162 0.000 1.279 181 L HN 0.722 nan 8.230 nan 0.000 0.412 182 A N 4.760 127.702 122.820 0.202 0.000 2.371 182 A HA 0.815 5.134 4.320 -0.001 0.000 0.311 182 A C -1.888 175.742 177.584 0.078 0.000 1.068 182 A CA -0.476 51.624 52.037 0.104 0.000 0.744 182 A CB 1.422 20.375 19.000 -0.078 0.000 1.239 182 A HN 0.789 nan 8.150 nan 0.000 0.435 183 L N 1.871 123.131 121.223 0.061 0.000 2.439 183 L HA 0.679 5.018 4.340 -0.001 0.000 0.270 183 L C -1.218 175.615 176.870 -0.062 0.000 0.972 183 L CA -0.030 54.754 54.840 -0.093 0.000 0.836 183 L CB 1.786 43.643 42.059 -0.337 0.000 1.255 183 L HN 0.656 nan 8.230 nan 0.000 0.404 184 E N 4.708 124.872 120.200 -0.060 0.000 2.234 184 E HA 0.527 4.876 4.350 -0.001 0.000 0.266 184 E C -1.330 175.276 176.600 0.009 0.000 0.877 184 E CA -0.555 55.850 56.400 0.008 0.000 0.758 184 E CB 2.821 32.513 29.700 -0.012 0.000 1.170 184 E HN 0.368 nan 8.360 nan 0.000 0.415 185 V N 2.726 122.701 119.914 0.103 0.000 2.305 185 V HA 0.091 4.210 4.120 -0.001 0.000 0.275 185 V C 0.929 177.099 176.094 0.126 0.000 1.020 185 V CA -0.213 62.138 62.300 0.084 0.000 0.811 185 V CB 0.887 32.745 31.823 0.058 0.000 1.031 185 V HN 0.751 nan 8.190 nan 0.000 0.439 186 S N 1.325 117.081 115.700 0.093 0.000 2.497 186 S HA -0.087 4.382 4.470 -0.001 0.000 0.218 186 S C 1.900 176.569 174.600 0.115 0.000 1.023 186 S CA 0.653 58.912 58.200 0.099 0.000 0.913 186 S CB 0.026 63.252 63.200 0.044 0.000 0.800 186 S HN 0.768 nan 8.310 nan 0.000 0.505 187 T N 1.219 115.829 114.554 0.092 0.000 2.962 187 T HA -0.113 4.236 4.350 -0.001 0.000 0.270 187 T C 1.924 176.650 174.700 0.044 0.000 1.088 187 T CA 1.617 63.760 62.100 0.072 0.000 1.127 187 T CB -1.393 67.505 68.868 0.051 0.000 0.883 187 T HN 0.599 nan 8.240 nan 0.000 0.493 188 T N 0.033 114.608 114.554 0.035 0.000 3.007 188 T HA 0.113 4.462 4.350 -0.001 0.000 0.270 188 T C 1.639 176.369 174.700 0.049 0.000 1.107 188 T CA 0.574 62.681 62.100 0.012 0.000 1.118 188 T CB -0.652 68.226 68.868 0.016 0.000 0.889 188 T HN 0.394 nan 8.240 nan 0.000 0.506 189 M N 0.735 120.390 119.600 0.092 0.000 2.505 189 M HA 0.270 4.749 4.480 -0.001 0.000 0.230 189 M C 2.102 178.455 176.300 0.088 0.000 1.153 189 M CA -0.127 55.236 55.300 0.105 0.000 0.997 189 M CB 0.042 32.745 32.600 0.172 0.000 1.606 189 M HN 0.165 nan 8.290 nan 0.000 0.481 190 V N 1.063 121.022 119.914 0.074 0.000 2.282 190 V HA -0.302 3.818 4.120 -0.001 0.000 0.249 190 V C 2.442 178.577 176.094 0.068 0.000 1.057 190 V CA 2.088 64.431 62.300 0.073 0.000 1.032 190 V CB -0.265 31.596 31.823 0.065 0.000 0.645 190 V HN 0.482 nan 8.190 nan 0.000 0.447 191 R N -0.150 120.378 120.500 0.046 0.000 2.115 191 R HA -0.072 4.268 4.340 -0.001 0.000 0.230 191 R C 2.635 178.964 176.300 0.049 0.000 1.111 191 R CA 1.543 57.668 56.100 0.042 0.000 0.976 191 R CB -1.178 29.096 30.300 -0.042 0.000 0.870 191 R HN 0.664 nan 8.270 nan 0.000 0.445 192 S N 0.923 116.643 115.700 0.034 0.000 2.348 192 S HA -0.129 4.341 4.470 -0.001 0.000 0.221 192 S C 1.694 176.314 174.600 0.033 0.000 1.033 192 S CA 1.027 59.242 58.200 0.025 0.000 1.010 192 S CB 0.054 63.266 63.200 0.019 0.000 0.891 192 S HN 0.187 nan 8.310 nan 0.000 0.442 193 E N 1.213 121.445 120.200 0.053 0.000 2.085 193 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 193 E C 2.187 178.793 176.600 0.010 0.000 0.994 193 E CA 1.098 57.528 56.400 0.050 0.000 0.801 193 E CB -0.628 29.121 29.700 0.082 0.000 0.743 193 E HN 0.553 nan 8.360 nan 0.000 0.453 194 L N 0.489 121.717 121.223 0.009 0.000 2.046 194 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 194 L C 2.624 179.354 176.870 -0.233 0.000 1.077 194 L CA 1.425 56.217 54.840 -0.079 0.000 0.747 194 L CB -0.358 41.728 42.059 0.045 0.000 0.896 194 L HN 0.132 nan 8.230 nan 0.000 0.432 195 E N -0.217 119.947 120.200 -0.061 0.000 2.077 195 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 195 E C 2.251 178.823 176.600 -0.047 0.000 0.989 195 E CA 1.514 57.908 56.400 -0.010 0.000 0.800 195 E CB 0.094 29.843 29.700 0.082 0.000 0.746 195 E HN 0.278 nan 8.360 nan 0.000 0.452 196 S N -0.091 115.590 115.700 -0.030 0.000 2.368 196 S HA -0.126 4.343 4.470 -0.001 0.000 0.225 196 S C 1.868 176.447 174.600 -0.034 0.000 1.030 196 S CA 1.147 59.335 58.200 -0.019 0.000 0.999 196 S CB -0.230 62.972 63.200 0.003 0.000 0.844 196 S HN 0.275 nan 8.310 nan 0.000 0.459 197 I N 1.383 121.918 120.570 -0.058 0.000 2.142 197 I HA -0.215 3.954 4.170 -0.001 0.000 0.240 197 I C 2.369 178.436 176.117 -0.083 0.000 1.078 197 I CA 1.585 62.849 61.300 -0.061 0.000 1.343 197 I CB -0.469 37.489 38.000 -0.070 0.000 1.046 197 I HN 0.239 nan 8.210 nan 0.000 0.405 198 D N 0.868 121.170 120.400 -0.162 0.000 2.106 198 D HA -0.221 4.418 4.640 -0.001 0.000 0.191 198 D C 2.088 178.362 176.300 -0.044 0.000 0.997 198 D CA 1.957 55.873 54.000 -0.139 0.000 0.834 198 D CB 0.022 40.656 40.800 -0.278 0.000 0.956 198 D HN 0.324 nan 8.370 nan 0.000 0.448 199 A N -0.567 122.235 122.820 -0.029 0.000 1.935 199 A HA 0.114 4.433 4.320 -0.001 0.000 0.214 199 A C 2.255 179.839 177.584 0.000 0.000 1.178 199 A CA 0.497 52.534 52.037 0.001 0.000 0.640 199 A CB -0.415 18.593 19.000 0.013 0.000 0.825 199 A HN 0.346 nan 8.150 nan 0.000 0.447 200 L N -1.140 120.080 121.223 -0.005 0.000 2.509 200 L HA 0.006 4.345 4.340 -0.001 0.000 0.222 200 L C 0.355 177.227 176.870 0.002 0.000 1.123 200 L CA 0.022 54.862 54.840 0.001 0.000 0.856 200 L CB -0.052 42.010 42.059 0.004 0.000 0.985 200 L HN 0.329 nan 8.230 nan 0.000 0.456 201 Q N 1.346 121.144 119.800 -0.004 0.000 2.434 201 Q HA -0.211 4.128 4.340 -0.001 0.000 0.299 201 Q C -0.138 175.865 176.000 0.004 0.000 1.286 201 Q CA 1.125 56.927 55.803 -0.002 0.000 0.872 201 Q CB -1.705 27.035 28.738 0.003 0.000 1.193 201 Q HN 0.733 nan 8.270 nan 0.000 0.466 202 E N -1.794 118.409 120.200 0.005 0.000 2.221 202 E HA 0.583 4.932 4.350 -0.001 0.000 0.268 202 E C -0.182 176.427 176.600 0.015 0.000 0.933 202 E CA -0.780 55.628 56.400 0.014 0.000 0.809 202 E CB 0.915 30.627 29.700 0.020 0.000 1.190 202 E HN 0.122 nan 8.360 nan 0.000 0.406 203 T N 0.730 115.297 114.554 0.022 0.000 2.855 203 T HA 0.279 4.628 4.350 -0.001 0.000 0.290 203 T C -0.077 174.643 174.700 0.033 0.000 0.941 203 T CA -0.800 61.314 62.100 0.024 0.000 1.030 203 T CB -0.233 68.652 68.868 0.029 0.000 0.935 203 T HN 0.355 nan 8.240 nan 0.000 0.564 204 R N 3.178 123.698 120.500 0.034 0.000 2.215 204 R HA 0.395 4.734 4.340 -0.001 0.000 0.336 204 R C 1.303 177.639 176.300 0.060 0.000 0.996 204 R CA -0.551 55.581 56.100 0.053 0.000 0.847 204 R CB 0.788 31.120 30.300 0.054 0.000 1.127 204 R HN 0.836 nan 8.270 nan 0.000 0.465 205 I N -0.325 120.288 120.570 0.072 0.000 3.793 205 I HA 0.213 4.383 4.170 -0.001 0.000 0.315 205 I C 1.496 177.676 176.117 0.105 0.000 1.275 205 I CA 0.234 61.574 61.300 0.066 0.000 1.214 205 I CB 0.325 38.355 38.000 0.050 0.000 1.018 205 I HN 0.592 nan 8.210 nan 0.000 0.439 206 G N 3.272 112.177 108.800 0.174 0.000 2.513 206 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.219 206 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.219 206 G C 1.445 176.512 174.900 0.277 0.000 1.160 206 G CA 1.761 47.048 45.100 0.311 0.000 0.767 206 G HN 0.626 nan 8.290 nan 0.000 0.571 207 I N 0.620 121.289 120.570 0.164 0.000 2.530 207 I HA 0.052 4.221 4.170 -0.001 0.000 0.257 207 I C 2.641 178.804 176.117 0.076 0.000 1.179 207 I CA 0.901 62.274 61.300 0.122 0.000 1.440 207 I CB -0.845 37.199 38.000 0.074 0.000 1.087 207 I HN 0.141 nan 8.210 nan 0.000 0.440 208 A N 0.208 123.054 122.820 0.043 0.000 2.123 208 A HA 0.299 4.618 4.320 -0.001 0.000 0.214 208 A C 2.187 179.732 177.584 -0.065 0.000 1.152 208 A CA 0.824 52.850 52.037 -0.018 0.000 0.728 208 A CB -0.361 18.619 19.000 -0.032 0.000 0.814 208 A HN 0.478 nan 8.150 nan 0.000 0.464 209 L N -2.432 118.738 121.223 -0.088 0.000 2.433 209 L HA 0.310 4.650 4.340 -0.001 0.000 0.200 209 L C 0.043 176.719 176.870 -0.324 0.000 1.059 209 L CA -0.107 54.555 54.840 -0.297 0.000 0.835 209 L CB -0.077 41.635 42.059 -0.579 0.000 1.076 209 L HN 0.244 nan 8.230 nan 0.000 0.481 210 F N 0.550 120.507 119.950 0.011 0.000 2.375 210 F HA 0.344 4.870 4.527 -0.001 0.000 0.333 210 F C 0.794 176.610 175.800 0.027 0.000 1.104 210 F CA -0.403 57.608 58.000 0.017 0.000 1.149 210 F CB 1.349 40.346 39.000 -0.004 0.000 1.190 210 F HN -0.044 nan 8.300 nan 0.000 0.533 211 S N -0.217 115.631 115.700 0.247 0.000 2.794 211 S HA 0.644 5.113 4.470 -0.001 0.000 0.299 211 S C -1.834 172.873 174.600 0.180 0.000 1.179 211 S CA -1.157 57.151 58.200 0.180 0.000 0.838 211 S CB 2.098 65.392 63.200 0.157 0.000 1.206 211 S HN 0.377 nan 8.310 nan 0.000 0.523 212 D N 0.010 120.511 120.400 0.169 0.000 2.248 212 D HA 0.734 5.373 4.640 -0.001 0.000 0.246 212 D C -0.802 175.574 176.300 0.127 0.000 1.027 212 D CA -0.118 53.951 54.000 0.115 0.000 0.853 212 D CB 1.544 42.392 40.800 0.080 0.000 1.243 212 D HN 0.778 nan 8.370 nan 0.000 0.462 213 C N 1.139 120.432 119.300 -0.011 0.000 3.289 213 C HA 0.720 5.179 4.460 -0.001 0.000 0.354 213 C C -1.659 173.217 174.990 -0.189 0.000 1.201 213 C CA -0.363 58.542 59.018 -0.188 0.000 1.199 213 C CB 0.688 28.220 27.740 -0.346 0.000 1.511 213 C HN 0.756 nan 8.230 nan 0.000 0.506 214 A N 2.946 125.629 122.820 -0.228 0.000 2.386 214 A HA 0.991 5.310 4.320 -0.001 0.000 0.311 214 A C -0.376 177.129 177.584 -0.131 0.000 1.068 214 A CA 0.267 52.219 52.037 -0.141 0.000 0.743 214 A CB 1.552 20.494 19.000 -0.097 0.000 1.258 214 A HN 2.128 nan 8.150 nan 0.000 0.429 215 S N 0.087 115.779 115.700 -0.014 0.000 2.564 215 S HA 0.926 5.395 4.470 -0.001 0.000 0.274 215 S C -0.644 174.097 174.600 0.235 0.000 1.124 215 S CA -0.114 58.136 58.200 0.083 0.000 0.869 215 S CB 1.740 65.016 63.200 0.128 0.000 1.105 215 S HN 2.363 nan 8.310 nan 0.000 0.472 216 A N 0.813 123.727 122.820 0.156 0.000 2.549 216 A HA 0.876 5.196 4.320 -0.001 0.000 0.297 216 A C -0.565 176.892 177.584 -0.212 0.000 1.061 216 A CA -0.425 51.637 52.037 0.041 0.000 0.690 216 A CB 1.372 20.386 19.000 0.023 0.000 1.287 216 A HN 2.185 nan 8.150 nan 0.000 0.402 217 V N -0.394 119.262 119.914 -0.431 0.000 3.040 217 V HA 0.816 4.935 4.120 -0.001 0.000 0.312 217 V C -0.942 175.005 176.094 -0.245 0.000 1.115 217 V CA -1.020 61.033 62.300 -0.412 0.000 0.998 217 V CB 1.836 33.258 31.823 -0.668 0.000 1.042 217 V HN 0.706 nan 8.190 nan 0.000 0.433 218 I N 3.573 124.044 120.570 -0.165 0.000 2.336 218 I HA 0.518 4.688 4.170 -0.001 0.000 0.292 218 I C -0.447 175.603 176.117 -0.112 0.000 0.991 218 I CA -0.359 60.874 61.300 -0.113 0.000 1.227 218 I CB 1.300 39.257 38.000 -0.071 0.000 1.366 218 I HN 0.658 nan 8.210 nan 0.000 0.466 219 L N 5.965 127.124 121.223 -0.107 0.000 2.313 219 L HA 0.538 4.877 4.340 -0.001 0.000 0.283 219 L C -0.100 176.728 176.870 -0.071 0.000 1.013 219 L CA 0.208 54.992 54.840 -0.093 0.000 0.816 219 L CB 1.682 43.669 42.059 -0.120 0.000 1.236 219 L HN 0.656 nan 8.230 nan 0.000 0.419 220 S N 2.523 118.196 115.700 -0.045 0.000 2.532 220 S HA 0.454 4.923 4.470 -0.001 0.000 0.301 220 S C 0.400 174.992 174.600 -0.013 0.000 1.083 220 S CA -0.583 57.601 58.200 -0.026 0.000 1.025 220 S CB 1.051 64.242 63.200 -0.015 0.000 1.056 220 S HN 0.787 nan 8.310 nan 0.000 0.494 221 N N 2.446 121.146 118.700 -0.000 0.000 2.270 221 N HA 0.187 4.927 4.740 -0.001 0.000 0.198 221 N C 1.232 176.758 175.510 0.026 0.000 1.117 221 N CA 0.835 53.895 53.050 0.018 0.000 0.845 221 N CB -0.159 38.347 38.487 0.032 0.000 0.980 221 N HN 1.125 nan 8.380 nan 0.000 0.486 222 G N 0.509 109.320 108.800 0.019 0.000 2.284 222 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.261 222 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.261 222 G C 0.015 174.928 174.900 0.021 0.000 0.997 222 G CA 0.377 45.487 45.100 0.017 0.000 0.621 222 G HN 0.423 nan 8.290 nan 0.000 0.534 223 I N 1.274 121.862 120.570 0.030 0.000 2.556 223 I HA 0.389 4.559 4.170 -0.001 0.000 0.284 223 I C 1.740 177.875 176.117 0.029 0.000 1.114 223 I CA 1.459 62.777 61.300 0.031 0.000 1.418 223 I CB 0.804 38.829 38.000 0.042 0.000 1.394 223 I HN 0.880 nan 8.210 nan 0.000 0.552 224 G N 4.195 113.008 108.800 0.021 0.000 2.217 224 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.246 224 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.246 224 G C 0.146 175.053 174.900 0.012 0.000 0.990 224 G CA -0.498 44.612 45.100 0.017 0.000 0.627 224 G HN 0.625 nan 8.290 nan 0.000 0.522 225 E N 1.204 121.411 120.200 0.011 0.000 2.290 225 E HA 0.499 4.849 4.350 -0.001 0.000 0.277 225 E C 0.749 177.351 176.600 0.003 0.000 1.035 225 E CA 0.304 56.708 56.400 0.006 0.000 0.873 225 E CB 1.282 30.984 29.700 0.004 0.000 1.029 225 E HN 0.748 nan 8.360 nan 0.000 0.419 226 A N 6.214 129.035 122.820 0.001 0.000 2.520 226 A HA 0.179 4.498 4.320 -0.001 0.000 0.245 226 A C -1.842 175.741 177.584 -0.002 0.000 1.072 226 A CA -1.044 50.993 52.037 -0.000 0.000 0.761 226 A CB -0.489 18.510 19.000 -0.001 0.000 1.004 226 A HN 0.359 nan 8.150 nan 0.000 0.499 227 P HA 0.007 nan 4.420 nan 0.000 0.269 227 P C 0.980 178.277 177.300 -0.005 0.000 1.185 227 P CA 1.773 64.871 63.100 -0.002 0.000 0.769 227 P CB 0.202 31.901 31.700 -0.001 0.000 0.809 228 G N 0.359 109.155 108.800 -0.006 0.000 2.160 228 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.251 228 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.251 228 G C 0.156 175.048 174.900 -0.012 0.000 1.008 228 G CA 0.331 45.425 45.100 -0.009 0.000 0.724 228 G HN 0.679 nan 8.290 nan 0.000 0.514 229 K N 1.759 122.152 120.400 -0.012 0.000 2.349 229 K HA 0.472 4.791 4.320 -0.001 0.000 0.288 229 K C -1.244 175.343 176.600 -0.021 0.000 1.058 229 K CA -1.245 55.033 56.287 -0.014 0.000 0.953 229 K CB 0.729 33.222 32.500 -0.011 0.000 0.997 229 K HN 0.225 nan 8.250 nan 0.000 0.477 230 P HA 0.293 nan 4.420 nan 0.000 0.277 230 P C -1.421 175.854 177.300 -0.043 0.000 1.240 230 P CA -0.651 62.427 63.100 -0.037 0.000 0.798 230 P CB 1.726 33.402 31.700 -0.040 0.000 0.979 231 A N 1.279 124.066 122.820 -0.055 0.000 2.435 231 A HA 0.603 4.923 4.320 -0.001 0.000 0.296 231 A C 0.673 178.190 177.584 -0.111 0.000 1.147 231 A CA -0.629 51.371 52.037 -0.062 0.000 0.775 231 A CB 0.727 19.704 19.000 -0.039 0.000 1.340 231 A HN 0.353 nan 8.150 nan 0.000 0.427 232 I N -1.020 119.466 120.570 -0.140 0.000 2.556 232 I HA 0.152 4.321 4.170 -0.001 0.000 0.251 232 I C -0.325 175.494 176.117 -0.496 0.000 1.105 232 I CA 1.018 62.126 61.300 -0.320 0.000 1.436 232 I CB -0.152 37.659 38.000 -0.316 0.000 1.139 232 I HN 0.565 nan 8.210 nan 0.000 0.438 233 Y N -0.081 120.188 120.300 -0.050 0.000 2.545 233 Y HA 0.466 5.015 4.550 -0.001 0.000 0.348 233 Y C -0.759 175.117 175.900 -0.040 0.000 1.002 233 Y CA -1.550 56.520 58.100 -0.050 0.000 1.039 233 Y CB 1.155 39.593 38.460 -0.037 0.000 1.271 233 Y HN -0.138 nan 8.280 nan 0.000 0.467 234 D N 2.049 122.528 120.400 0.132 0.000 2.168 234 D HA 0.278 4.918 4.640 -0.001 0.000 0.246 234 D C -1.121 175.244 176.300 0.109 0.000 1.050 234 D CA -0.501 53.553 54.000 0.090 0.000 0.857 234 D CB 2.593 43.425 40.800 0.054 0.000 1.169 234 D HN 0.310 nan 8.370 nan 0.000 0.453 235 L N 2.950 124.237 121.223 0.107 0.000 2.260 235 L HA 0.202 4.541 4.340 -0.001 0.000 0.289 235 L C 0.366 177.339 176.870 0.173 0.000 1.057 235 L CA 0.049 54.972 54.840 0.139 0.000 0.811 235 L CB 0.484 42.629 42.059 0.142 0.000 1.184 235 L HN 0.421 nan 8.230 nan 0.000 0.429 236 L N 4.497 125.801 121.223 0.136 0.000 2.408 236 L HA 0.501 4.840 4.340 -0.001 0.000 0.215 236 L C 0.972 177.814 176.870 -0.047 0.000 1.081 236 L CA 0.464 55.341 54.840 0.062 0.000 0.840 236 L CB -0.088 42.008 42.059 0.060 0.000 1.002 236 L HN 0.805 nan 8.230 nan 0.000 0.468 237 G N -0.941 107.851 108.800 -0.013 0.000 2.356 237 G HA2 0.380 4.339 3.960 -0.001 0.000 0.294 237 G HA3 0.380 4.339 3.960 -0.001 0.000 0.294 237 G C -2.626 172.281 174.900 0.011 0.000 1.423 237 G CA -0.436 44.472 45.100 -0.320 0.000 0.806 237 G HN 0.094 nan 8.290 nan 0.000 0.527 238 W N -0.923 120.333 121.300 -0.073 0.000 3.153 238 W HA 0.845 5.504 4.660 -0.001 0.000 0.316 238 W C -1.086 175.387 176.519 -0.076 0.000 1.255 238 W CA -1.065 56.233 57.345 -0.078 0.000 1.192 238 W CB 1.240 30.662 29.460 -0.064 0.000 1.400 238 W HN 0.546 nan 8.180 nan 0.000 0.568 239 E N 2.136 122.428 120.200 0.154 0.000 2.356 239 E HA 0.366 4.715 4.350 -0.001 0.000 0.275 239 E C -1.178 175.470 176.600 0.081 0.000 0.904 239 E CA -0.926 55.518 56.400 0.074 0.000 0.757 239 E CB 2.514 32.206 29.700 -0.012 0.000 1.232 239 E HN 0.560 nan 8.360 nan 0.000 0.442 240 N N 0.933 119.674 118.700 0.067 0.000 2.277 240 N HA 0.511 5.250 4.740 -0.001 0.000 0.286 240 N C -0.776 174.748 175.510 0.024 0.000 1.140 240 N CA -0.735 52.334 53.050 0.031 0.000 0.799 240 N CB 2.524 41.033 38.487 0.037 0.000 1.596 240 N HN 0.267 nan 8.380 nan 0.000 0.473 241 R N 0.478 120.986 120.500 0.013 0.000 2.710 241 R HA 0.499 4.838 4.340 -0.001 0.000 0.270 241 R C -1.251 175.067 176.300 0.030 0.000 1.021 241 R CA -0.781 55.334 56.100 0.025 0.000 0.889 241 R CB 1.761 32.081 30.300 0.034 0.000 1.243 241 R HN 0.412 nan 8.270 nan 0.000 0.464 242 V N 2.668 122.605 119.914 0.038 0.000 2.459 242 V HA 0.445 4.564 4.120 -0.001 0.000 0.295 242 V C 0.601 176.728 176.094 0.055 0.000 1.029 242 V CA -0.821 61.507 62.300 0.046 0.000 0.874 242 V CB 1.782 33.628 31.823 0.039 0.000 0.985 242 V HN 0.541 nan 8.190 nan 0.000 0.438 243 I N 7.200 127.811 120.570 0.068 0.000 2.436 243 I HA 0.191 4.360 4.170 -0.001 0.000 0.289 243 I C -2.045 174.107 176.117 0.058 0.000 1.083 243 I CA -1.415 59.925 61.300 0.067 0.000 1.372 243 I CB 0.925 38.970 38.000 0.075 0.000 1.408 243 I HN 0.409 nan 8.210 nan 0.000 0.516 244 P HA -0.036 nan 4.420 nan 0.000 0.266 244 P C -0.468 176.875 177.300 0.071 0.000 1.195 244 P CA 0.133 63.266 63.100 0.056 0.000 0.768 244 P CB 0.272 32.000 31.700 0.047 0.000 0.838 245 D N 0.546 120.997 120.400 0.084 0.000 2.686 245 D HA -0.144 4.495 4.640 -0.001 0.000 0.235 245 D C -0.077 176.349 176.300 0.210 0.000 1.160 245 D CA 1.459 55.536 54.000 0.129 0.000 0.645 245 D CB -1.672 39.190 40.800 0.103 0.000 1.039 245 D HN 0.511 nan 8.370 nan 0.000 0.423 246 S N -2.367 113.413 115.700 0.133 0.000 2.855 246 S HA 0.261 4.730 4.470 -0.001 0.000 0.249 246 S C 1.122 175.715 174.600 -0.012 0.000 1.033 246 S CA -0.607 57.600 58.200 0.012 0.000 1.038 246 S CB 0.732 63.922 63.200 -0.017 0.000 0.960 246 S HN 0.046 nan 8.310 nan 0.000 0.548 247 E N 2.307 122.587 120.200 0.134 0.000 2.153 247 E HA -0.153 4.196 4.350 -0.001 0.000 0.194 247 E C 1.819 178.479 176.600 0.101 0.000 0.988 247 E CA 1.573 58.039 56.400 0.110 0.000 0.811 247 E CB -0.368 29.409 29.700 0.128 0.000 0.746 247 E HN 0.861 nan 8.360 nan 0.000 0.466 248 H N -0.358 118.733 119.070 0.036 0.000 2.555 248 H HA 0.098 4.653 4.556 -0.001 0.000 0.269 248 H C 0.476 175.828 175.328 0.039 0.000 0.988 248 H CA 0.815 56.885 56.048 0.036 0.000 1.178 248 H CB 0.108 29.887 29.762 0.030 0.000 1.373 248 H HN 0.131 nan 8.280 nan 0.000 0.588 249 D N 0.525 120.697 120.400 -0.380 0.000 2.333 249 D HA 0.106 4.745 4.640 -0.001 0.000 0.208 249 D C 0.008 176.256 176.300 -0.087 0.000 0.984 249 D CA 0.223 54.060 54.000 -0.272 0.000 0.873 249 D CB 0.784 41.387 40.800 -0.327 0.000 0.935 249 D HN 0.228 nan 8.370 nan 0.000 0.521 250 L N -0.440 120.761 121.223 -0.035 0.000 2.641 250 L HA 0.537 4.876 4.340 -0.001 0.000 0.261 250 L C -0.702 176.194 176.870 0.042 0.000 0.926 250 L CA -0.085 54.764 54.840 0.015 0.000 0.917 250 L CB 1.808 43.873 42.059 0.010 0.000 1.361 250 L HN 0.026 nan 8.230 nan 0.000 0.417 251 G N 2.875 111.719 108.800 0.073 0.000 2.340 251 G HA2 0.488 4.447 3.960 -0.001 0.000 0.299 251 G HA3 0.488 4.447 3.960 -0.001 0.000 0.299 251 G C -2.077 172.958 174.900 0.226 0.000 1.291 251 G CA -0.450 44.719 45.100 0.114 0.000 0.841 251 G HN 0.576 nan 8.290 nan 0.000 0.500 252 F N 1.516 121.474 119.950 0.013 0.000 3.361 252 F HA 0.302 4.828 4.527 -0.001 0.000 0.390 252 F C -1.293 174.613 175.800 0.177 0.000 1.251 252 F CA -0.906 57.117 58.000 0.037 0.000 1.260 252 F CB 1.366 40.303 39.000 -0.106 0.000 1.847 252 F HN 0.274 nan 8.300 nan 0.000 0.673 253 D N 4.268 124.743 120.400 0.126 0.000 2.249 253 D HA 0.187 4.826 4.640 -0.001 0.000 0.246 253 D C -0.090 176.190 176.300 -0.034 0.000 1.114 253 D CA 0.023 54.072 54.000 0.082 0.000 0.854 253 D CB 2.882 43.707 40.800 0.041 0.000 1.132 253 D HN 0.221 nan 8.370 nan 0.000 0.461 254 V N 2.449 122.326 119.914 -0.062 0.000 2.872 254 V HA 0.082 4.201 4.120 -0.001 0.000 0.307 254 V C 0.083 175.937 176.094 -0.400 0.000 1.072 254 V CA 0.848 62.852 62.300 -0.494 0.000 1.148 254 V CB 1.097 32.723 31.823 -0.329 0.000 0.954 254 V HN 0.609 nan 8.190 nan 0.000 0.490 255 D N 5.095 125.174 120.400 -0.535 0.000 2.654 255 D HA 0.332 4.971 4.640 -0.001 0.000 0.231 255 D C -2.307 173.785 176.300 -0.347 0.000 1.239 255 D CA -0.978 52.818 54.000 -0.340 0.000 0.790 255 D CB 2.540 43.179 40.800 -0.269 0.000 1.480 255 D HN 0.277 nan 8.370 nan 0.000 0.442 256 P HA -0.068 nan 4.420 nan 0.000 0.220 256 P C 1.197 178.384 177.300 -0.189 0.000 1.144 256 P CA 1.105 64.090 63.100 -0.193 0.000 0.800 256 P CB 0.119 31.742 31.700 -0.128 0.000 0.772 257 M N -1.878 117.611 119.600 -0.185 0.000 2.453 257 M HA 0.318 4.797 4.480 -0.001 0.000 0.239 257 M C 1.119 177.314 176.300 -0.174 0.000 1.151 257 M CA 0.385 55.600 55.300 -0.142 0.000 0.989 257 M CB 0.414 32.961 32.600 -0.088 0.000 1.548 257 M HN 0.031 nan 8.290 nan 0.000 0.479 258 G N 0.641 109.234 108.800 -0.344 0.000 2.713 258 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.215 258 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.215 258 G C -1.621 172.804 174.900 -0.793 0.000 1.265 258 G CA -0.820 43.994 45.100 -0.477 0.000 1.204 258 G HN 0.381 nan 8.290 nan 0.000 0.545 259 W N 1.281 122.320 121.300 -0.436 0.000 2.883 259 W HA 0.619 5.279 4.660 -0.001 0.000 0.335 259 W C -0.525 175.645 176.519 -0.582 0.000 1.083 259 W CA -0.831 56.045 57.345 -0.782 0.000 1.233 259 W CB 2.109 30.478 29.460 -1.818 0.000 1.412 259 W HN 0.201 nan 8.180 nan 0.000 0.490 260 K N 2.440 122.744 120.400 -0.160 0.000 2.211 260 K HA 0.357 4.676 4.320 -0.001 0.000 0.275 260 K C -0.190 176.523 176.600 0.188 0.000 1.024 260 K CA -0.792 55.510 56.287 0.025 0.000 0.887 260 K CB 2.026 34.529 32.500 0.006 0.000 1.084 260 K HN 0.172 nan 8.250 nan 0.000 0.463 261 V N 3.327 123.416 119.914 0.292 0.000 2.585 261 V HA 0.064 4.183 4.120 -0.001 0.000 0.296 261 V C 0.331 176.538 176.094 0.187 0.000 1.035 261 V CA -0.454 62.031 62.300 0.309 0.000 1.084 261 V CB 1.010 32.972 31.823 0.231 0.000 0.953 261 V HN 0.356 nan 8.190 nan 0.000 0.483 262 V N 6.505 126.521 119.914 0.169 0.000 2.448 262 V HA 0.617 4.736 4.120 -0.001 0.000 0.295 262 V C -0.433 175.717 176.094 0.094 0.000 1.025 262 V CA -0.538 61.830 62.300 0.114 0.000 0.859 262 V CB 1.512 33.396 31.823 0.102 0.000 0.988 262 V HN 0.667 nan 8.190 nan 0.000 0.431 263 L N 5.474 126.743 121.223 0.077 0.000 2.727 263 L HA 0.489 4.828 4.340 -0.001 0.000 0.255 263 L C -0.038 176.855 176.870 0.039 0.000 0.983 263 L CA 0.072 54.950 54.840 0.063 0.000 0.945 263 L CB 1.704 43.825 42.059 0.104 0.000 1.242 263 L HN 0.744 nan 8.230 nan 0.000 0.449 264 S N 3.490 119.194 115.700 0.007 0.000 2.652 264 S HA 0.695 5.164 4.470 -0.001 0.000 0.270 264 S C -1.845 172.750 174.600 -0.009 0.000 1.243 264 S CA -0.823 57.377 58.200 -0.001 0.000 0.999 264 S CB 1.076 64.260 63.200 -0.028 0.000 0.973 264 S HN 0.570 nan 8.310 nan 0.000 0.544 265 P HA 0.037 nan 4.420 nan 0.000 0.225 265 P C 1.053 178.337 177.300 -0.028 0.000 1.148 265 P CA 0.786 63.880 63.100 -0.009 0.000 0.779 265 P CB 0.037 31.738 31.700 0.001 0.000 0.780 266 R N -0.866 119.613 120.500 -0.036 0.000 2.189 266 R HA -0.015 4.324 4.340 -0.001 0.000 0.218 266 R C 1.946 178.202 176.300 -0.074 0.000 1.074 266 R CA 0.568 56.638 56.100 -0.049 0.000 0.991 266 R CB -0.861 29.407 30.300 -0.053 0.000 0.883 266 R HN 0.103 nan 8.270 nan 0.000 0.457 267 V N 1.813 121.678 119.914 -0.080 0.000 2.252 267 V HA -0.211 3.909 4.120 -0.001 0.000 0.249 267 V C -0.850 175.149 176.094 -0.160 0.000 1.056 267 V CA 2.034 64.271 62.300 -0.105 0.000 1.022 267 V CB -1.084 30.693 31.823 -0.076 0.000 0.641 267 V HN 0.242 nan 8.190 nan 0.000 0.445 268 P HA -0.084 nan 4.420 nan 0.000 0.217 268 P C 1.845 179.042 177.300 -0.173 0.000 1.150 268 P CA 1.164 64.153 63.100 -0.184 0.000 0.832 268 P CB -0.087 31.534 31.700 -0.132 0.000 0.787 269 V N -0.467 119.376 119.914 -0.119 0.000 2.307 269 V HA -0.216 3.904 4.120 -0.001 0.000 0.245 269 V C 2.452 178.490 176.094 -0.093 0.000 1.045 269 V CA 1.637 63.883 62.300 -0.090 0.000 1.024 269 V CB -1.334 30.455 31.823 -0.058 0.000 0.651 269 V HN 0.048 nan 8.190 nan 0.000 0.449 270 L N 0.159 121.324 121.223 -0.095 0.000 2.083 270 L HA -0.141 4.198 4.340 -0.001 0.000 0.209 270 L C 2.732 179.537 176.870 -0.108 0.000 1.083 270 L CA 1.493 56.290 54.840 -0.073 0.000 0.752 270 L CB -0.802 41.224 42.059 -0.055 0.000 0.899 270 L HN 0.358 nan 8.230 nan 0.000 0.433 271 A N 0.108 122.764 122.820 -0.273 0.000 1.858 271 A HA -0.250 4.069 4.320 -0.001 0.000 0.216 271 A C 2.404 179.811 177.584 -0.294 0.000 1.190 271 A CA 1.890 53.570 52.037 -0.594 0.000 0.617 271 A CB -0.482 17.757 19.000 -1.268 0.000 0.827 271 A HN 0.299 nan 8.150 nan 0.000 0.443 272 K N -0.308 119.958 120.400 -0.224 0.000 2.113 272 K HA -0.154 4.165 4.320 -0.001 0.000 0.208 272 K C 2.054 178.641 176.600 -0.022 0.000 1.047 272 K CA 1.330 57.556 56.287 -0.100 0.000 0.928 272 K CB -0.312 32.123 32.500 -0.108 0.000 0.716 272 K HN 0.392 nan 8.250 nan 0.000 0.446 273 A N 0.606 123.415 122.820 -0.018 0.000 2.015 273 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 273 A C 2.015 179.636 177.584 0.060 0.000 1.163 273 A CA 1.928 53.974 52.037 0.015 0.000 0.646 273 A CB -0.471 18.534 19.000 0.007 0.000 0.806 273 A HN 0.545 nan 8.150 nan 0.000 0.448 274 S N -0.541 115.223 115.700 0.107 0.000 2.470 274 S HA 0.073 4.543 4.470 -0.001 0.000 0.225 274 S C 1.812 176.527 174.600 0.191 0.000 1.006 274 S CA 0.696 58.994 58.200 0.164 0.000 0.934 274 S CB -0.564 62.787 63.200 0.252 0.000 0.778 274 S HN 0.435 nan 8.310 nan 0.000 0.517 275 L N 1.092 122.441 121.223 0.210 0.000 1.971 275 L HA -0.196 4.144 4.340 -0.001 0.000 0.215 275 L C 3.208 180.193 176.870 0.192 0.000 1.072 275 L CA 2.179 57.151 54.840 0.220 0.000 0.758 275 L CB -0.717 41.439 42.059 0.161 0.000 0.889 275 L HN 0.421 nan 8.230 nan 0.000 0.433 276 Q N -0.425 119.451 119.800 0.127 0.000 2.030 276 Q HA -0.185 4.155 4.340 -0.001 0.000 0.204 276 Q C -0.579 175.530 176.000 0.182 0.000 0.986 276 Q CA 2.182 58.067 55.803 0.136 0.000 0.843 276 Q CB -0.669 28.111 28.738 0.070 0.000 0.904 276 Q HN 0.375 nan 8.270 nan 0.000 0.420 277 P HA -0.072 nan 4.420 nan 0.000 0.221 277 P C 0.873 178.230 177.300 0.095 0.000 1.150 277 P CA 1.298 64.459 63.100 0.101 0.000 0.800 277 P CB -0.031 31.713 31.700 0.073 0.000 0.787 278 T N -0.813 113.811 114.554 0.117 0.000 2.770 278 T HA -0.170 4.179 4.350 -0.001 0.000 0.263 278 T C 1.733 176.485 174.700 0.087 0.000 1.039 278 T CA 1.078 63.230 62.100 0.086 0.000 1.142 278 T CB -1.224 67.695 68.868 0.085 0.000 0.868 278 T HN 0.061 nan 8.240 nan 0.000 0.435 279 Y N 2.451 122.777 120.300 0.044 0.000 2.151 279 Y HA -0.145 4.404 4.550 -0.001 0.000 0.284 279 Y C 2.512 178.408 175.900 -0.008 0.000 1.166 279 Y CA 1.107 59.223 58.100 0.028 0.000 1.163 279 Y CB -0.705 37.842 38.460 0.144 0.000 0.974 279 Y HN 0.183 nan 8.280 nan 0.000 0.511 280 A N 0.361 123.211 122.820 0.050 0.000 1.883 280 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 280 A C 2.001 179.501 177.584 -0.140 0.000 1.186 280 A CA 2.167 54.174 52.037 -0.050 0.000 0.624 280 A CB -0.974 18.065 19.000 0.065 0.000 0.822 280 A HN 0.581 nan 8.150 nan 0.000 0.444 281 D N -0.584 119.761 120.400 -0.091 0.000 2.117 281 D HA -0.118 4.521 4.640 -0.001 0.000 0.197 281 D C 1.891 178.093 176.300 -0.163 0.000 0.987 281 D CA 1.309 55.249 54.000 -0.101 0.000 0.829 281 D CB -0.451 40.314 40.800 -0.059 0.000 0.961 281 D HN 0.323 nan 8.370 nan 0.000 0.460 282 L N 0.729 121.830 121.223 -0.203 0.000 1.970 282 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 282 L C 2.232 178.912 176.870 -0.316 0.000 1.071 282 L CA 1.451 56.139 54.840 -0.254 0.000 0.751 282 L CB -0.814 41.085 42.059 -0.267 0.000 0.889 282 L HN 0.017 nan 8.230 nan 0.000 0.432 283 L N -0.704 120.246 121.223 -0.456 0.000 2.083 283 L HA -0.172 4.167 4.340 -0.001 0.000 0.209 283 L C 2.773 179.501 176.870 -0.236 0.000 1.083 283 L CA 2.074 56.662 54.840 -0.420 0.000 0.752 283 L CB -0.843 40.848 42.059 -0.613 0.000 0.899 283 L HN 0.630 nan 8.230 nan 0.000 0.433 284 S N -1.522 114.059 115.700 -0.198 0.000 2.402 284 S HA -0.162 4.308 4.470 -0.001 0.000 0.229 284 S C 2.061 176.588 174.600 -0.121 0.000 1.021 284 S CA 1.158 59.283 58.200 -0.126 0.000 0.974 284 S CB -0.942 62.200 63.200 -0.097 0.000 0.800 284 S HN 0.659 nan 8.310 nan 0.000 0.484 285 S N 1.417 117.027 115.700 -0.150 0.000 2.522 285 S HA 0.126 4.596 4.470 -0.001 0.000 0.227 285 S C 1.199 175.709 174.600 -0.150 0.000 0.986 285 S CA 0.560 58.668 58.200 -0.153 0.000 0.929 285 S CB -0.511 62.574 63.200 -0.191 0.000 0.769 285 S HN 0.842 nan 8.310 nan 0.000 0.529 286 L N -1.366 119.769 121.223 -0.146 0.000 3.520 286 L HA 0.407 4.746 4.340 -0.001 0.000 0.323 286 L C 1.576 178.383 176.870 -0.105 0.000 1.246 286 L CA -0.203 54.562 54.840 -0.126 0.000 1.085 286 L CB -0.805 41.171 42.059 -0.139 0.000 1.477 286 L HN 0.193 nan 8.230 nan 0.000 0.624 287 Q N 0.054 119.796 119.800 -0.096 0.000 2.197 287 Q HA -0.207 4.132 4.340 -0.001 0.000 0.207 287 Q C 0.483 176.452 176.000 -0.052 0.000 0.984 287 Q CA 2.098 57.861 55.803 -0.066 0.000 0.869 287 Q CB -0.555 28.154 28.738 -0.048 0.000 0.906 287 Q HN 0.539 nan 8.270 nan 0.000 0.426 288 D N 0.997 121.367 120.400 -0.050 0.000 2.348 288 D HA -0.090 4.549 4.640 -0.001 0.000 0.216 288 D C 1.317 177.597 176.300 -0.033 0.000 0.970 288 D CA 0.819 54.798 54.000 -0.035 0.000 0.889 288 D CB 0.041 40.822 40.800 -0.031 0.000 0.912 288 D HN 0.539 nan 8.370 nan 0.000 0.524 289 Q N -0.195 119.576 119.800 -0.049 0.000 2.425 289 Q HA 0.175 4.515 4.340 -0.001 0.000 0.204 289 Q C 0.356 176.314 176.000 -0.069 0.000 0.933 289 Q CA 0.215 55.996 55.803 -0.037 0.000 0.939 289 Q CB 0.733 29.454 28.738 -0.029 0.000 1.044 289 Q HN 0.220 nan 8.270 nan 0.000 0.513 290 L N 2.476 123.629 121.223 -0.118 0.000 2.309 290 L HA 0.441 4.780 4.340 -0.001 0.000 0.282 290 L C -2.051 174.781 176.870 -0.064 0.000 1.036 290 L CA -2.293 52.416 54.840 -0.220 0.000 0.806 290 L CB 0.728 42.630 42.059 -0.262 0.000 1.220 290 L HN -0.056 nan 8.230 nan 0.000 0.429 291 P HA 0.097 nan 4.420 nan 0.000 0.275 291 P C 0.548 177.895 177.300 0.078 0.000 1.266 291 P CA -0.517 62.636 63.100 0.088 0.000 0.793 291 P CB 0.648 32.456 31.700 0.180 0.000 1.074 292 S N -0.747 114.980 115.700 0.045 0.000 2.442 292 S HA -0.146 4.323 4.470 -0.001 0.000 0.236 292 S C 1.546 176.121 174.600 -0.040 0.000 1.007 292 S CA 1.289 59.495 58.200 0.009 0.000 0.965 292 S CB -1.455 61.747 63.200 0.004 0.000 0.773 292 S HN 0.582 nan 8.310 nan 0.000 0.504 293 S N -0.467 115.183 115.700 -0.083 0.000 2.650 293 S HA 0.189 4.658 4.470 -0.001 0.000 0.219 293 S C -0.340 173.866 174.600 -0.656 0.000 0.960 293 S CA -0.463 57.550 58.200 -0.312 0.000 0.925 293 S CB -0.650 62.342 63.200 -0.346 0.000 0.775 293 S HN 0.594 nan 8.310 nan 0.000 0.525 294 Y N 1.245 121.439 120.300 -0.176 0.000 2.705 294 Y HA 0.480 5.029 4.550 -0.001 0.000 0.355 294 Y C 0.942 176.762 175.900 -0.133 0.000 1.039 294 Y CA -0.701 57.163 58.100 -0.394 0.000 1.233 294 Y CB 0.780 38.895 38.460 -0.574 0.000 1.103 294 Y HN 0.163 nan 8.280 nan 0.000 0.624 295 Q N 1.006 120.851 119.800 0.075 0.000 2.384 295 Q HA 0.153 4.492 4.340 -0.001 0.000 0.264 295 Q C 0.100 176.297 176.000 0.328 0.000 0.825 295 Q CA 0.063 55.981 55.803 0.192 0.000 0.984 295 Q CB 1.278 30.069 28.738 0.089 0.000 1.183 295 Q HN 0.505 nan 8.270 nan 0.000 0.537 296 K N -0.329 120.270 120.400 0.332 0.000 2.350 296 K HA 0.436 4.755 4.320 -0.001 0.000 0.241 296 K C -2.548 174.375 176.600 0.539 0.000 0.994 296 K CA -1.855 54.652 56.287 0.367 0.000 0.839 296 K CB 1.969 34.579 32.500 0.185 0.000 1.244 296 K HN -0.352 nan 8.250 nan 0.000 0.443 297 P HA -0.232 nan 4.420 nan 0.000 0.216 297 P C 1.012 178.660 177.300 0.579 0.000 1.153 297 P CA 2.000 65.353 63.100 0.423 0.000 0.858 297 P CB -0.022 31.626 31.700 -0.087 0.000 0.789 298 A N -0.593 122.369 122.820 0.237 0.000 2.168 298 A HA -0.146 4.173 4.320 -0.001 0.000 0.215 298 A C 1.666 179.487 177.584 0.395 0.000 1.152 298 A CA 1.401 53.518 52.037 0.134 0.000 0.716 298 A CB -1.071 17.924 19.000 -0.008 0.000 0.794 298 A HN 0.094 nan 8.150 nan 0.000 0.465 299 D N -0.972 119.603 120.400 0.292 0.000 2.312 299 D HA 0.064 4.703 4.640 -0.001 0.000 0.211 299 D C -0.093 176.245 176.300 0.063 0.000 0.964 299 D CA 0.578 54.586 54.000 0.013 0.000 0.877 299 D CB -0.054 40.564 40.800 -0.304 0.000 0.924 299 D HN 0.462 nan 8.370 nan 0.000 0.515 300 F N 0.917 121.163 119.950 0.495 0.000 2.432 300 F HA 0.253 4.780 4.527 -0.001 0.000 0.329 300 F C 1.011 177.106 175.800 0.491 0.000 1.076 300 F CA -1.037 57.229 58.000 0.444 0.000 1.018 300 F CB 0.989 40.092 39.000 0.171 0.000 1.201 300 F HN -0.385 nan 8.300 nan 0.000 0.489 301 D N 0.664 121.370 120.400 0.510 0.000 2.264 301 D HA 0.141 4.780 4.640 -0.001 0.000 0.249 301 D C -1.249 175.262 176.300 0.351 0.000 1.070 301 D CA 0.077 54.342 54.000 0.442 0.000 0.912 301 D CB 0.940 41.915 40.800 0.291 0.000 1.193 301 D HN 0.325 nan 8.370 nan 0.000 0.427 302 W N 0.831 122.283 121.300 0.254 0.000 2.475 302 W HA 0.515 5.174 4.660 -0.002 0.000 0.320 302 W C -0.263 176.337 176.519 0.134 0.000 1.022 302 W CA -0.834 56.622 57.345 0.185 0.000 1.240 302 W CB 1.330 30.889 29.460 0.165 0.000 1.328 302 W HN 0.322 nan 8.180 nan 0.000 0.439 303 A N 5.122 128.076 122.820 0.224 0.000 2.910 303 A HA 0.516 4.835 4.320 -0.001 0.000 0.316 303 A C -0.366 177.321 177.584 0.170 0.000 1.493 303 A CA -0.518 51.616 52.037 0.162 0.000 1.150 303 A CB -0.317 18.723 19.000 0.067 0.000 1.159 303 A HN 0.582 nan 8.150 nan 0.000 0.526 304 M N 2.486 122.208 119.600 0.203 0.000 2.216 304 M HA 0.173 4.652 4.480 -0.001 0.000 0.356 304 M C 0.341 176.715 176.300 0.124 0.000 1.205 304 M CA -0.254 55.156 55.300 0.183 0.000 1.122 304 M CB 0.408 33.103 32.600 0.158 0.000 1.571 304 M HN 0.634 nan 8.290 nan 0.000 0.464 305 H N 6.456 125.562 119.070 0.059 0.000 2.899 305 H HA 0.214 4.769 4.556 -0.001 0.000 0.303 305 H C -2.272 173.062 175.328 0.011 0.000 1.042 305 H CA -1.398 54.671 56.048 0.035 0.000 1.479 305 H CB 0.699 30.479 29.762 0.030 0.000 1.493 305 H HN 0.445 nan 8.280 nan 0.000 0.534 306 P HA 0.088 nan 4.420 nan 0.000 0.231 306 P C 0.988 177.932 177.300 -0.593 0.000 1.811 306 P CA -0.069 62.726 63.100 -0.509 0.000 1.051 306 P CB -0.109 31.390 31.700 -0.335 0.000 1.951 307 G N 1.439 109.961 108.800 -0.464 0.000 2.448 307 G HA2 0.169 4.128 3.960 -0.001 0.000 0.219 307 G HA3 0.169 4.128 3.960 -0.001 0.000 0.219 307 G C 0.678 175.460 174.900 -0.197 0.000 1.127 307 G CA 0.562 45.545 45.100 -0.195 0.000 0.766 307 G HN 0.676 nan 8.290 nan 0.000 0.552 308 G N -3.007 105.606 108.800 -0.311 0.000 2.466 308 G HA2 0.551 4.510 3.960 -0.001 0.000 0.291 308 G HA3 0.551 4.510 3.960 -0.001 0.000 0.291 308 G C 0.518 175.112 174.900 -0.510 0.000 1.460 308 G CA 0.015 44.942 45.100 -0.287 0.000 0.791 308 G HN 0.591 nan 8.290 nan 0.000 0.505 309 A N -0.435 122.153 122.820 -0.386 0.000 1.940 309 A HA 0.031 4.350 4.320 -0.001 0.000 0.219 309 A C 2.526 179.975 177.584 -0.225 0.000 1.176 309 A CA 3.263 55.100 52.037 -0.333 0.000 0.631 309 A CB -1.045 17.929 19.000 -0.043 0.000 0.814 309 A HN 1.770 nan 8.150 nan 0.000 0.446 310 T N -2.182 112.274 114.554 -0.163 0.000 3.035 310 T HA 0.035 4.384 4.350 -0.001 0.000 0.268 310 T C 1.609 176.207 174.700 -0.170 0.000 1.109 310 T CA 0.919 62.939 62.100 -0.133 0.000 1.119 310 T CB -0.288 68.521 68.868 -0.098 0.000 0.900 310 T HN 0.258 nan 8.240 nan 0.000 0.503 311 I N 1.158 121.596 120.570 -0.220 0.000 2.286 311 I HA 0.054 4.223 4.170 -0.001 0.000 0.245 311 I C 2.424 178.423 176.117 -0.197 0.000 1.104 311 I CA 0.808 61.978 61.300 -0.218 0.000 1.397 311 I CB -1.077 36.798 38.000 -0.207 0.000 1.072 311 I HN 0.322 nan 8.210 nan 0.000 0.417 312 L N 0.705 121.766 121.223 -0.270 0.000 2.044 312 L HA -0.156 4.183 4.340 -0.001 0.000 0.205 312 L C 2.796 179.590 176.870 -0.127 0.000 1.075 312 L CA 1.628 56.306 54.840 -0.270 0.000 0.747 312 L CB -0.729 40.987 42.059 -0.571 0.000 0.903 312 L HN 0.281 nan 8.230 nan 0.000 0.435 313 S N 0.006 115.651 115.700 -0.091 0.000 2.383 313 S HA -0.090 4.379 4.470 -0.001 0.000 0.227 313 S C 2.109 176.661 174.600 -0.080 0.000 1.026 313 S CA 0.834 59.009 58.200 -0.042 0.000 0.981 313 S CB -1.085 62.100 63.200 -0.025 0.000 0.818 313 S HN 0.410 nan 8.310 nan 0.000 0.472 314 G N 1.915 110.652 108.800 -0.106 0.000 2.459 314 G HA2 -0.035 3.924 3.960 -0.001 0.000 0.217 314 G HA3 -0.035 3.924 3.960 -0.001 0.000 0.217 314 G C 1.715 176.539 174.900 -0.127 0.000 1.183 314 G CA 1.067 46.099 45.100 -0.114 0.000 0.776 314 G HN 0.796 nan 8.290 nan 0.000 0.552 315 A N 0.725 123.461 122.820 -0.141 0.000 1.902 315 A HA -0.032 4.287 4.320 -0.001 0.000 0.217 315 A C 2.165 179.590 177.584 -0.265 0.000 1.181 315 A CA 2.044 53.964 52.037 -0.194 0.000 0.623 315 A CB -0.441 18.453 19.000 -0.178 0.000 0.818 315 A HN 0.466 nan 8.150 nan 0.000 0.443 316 E N -0.606 119.477 120.200 -0.195 0.000 2.085 316 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 316 E C 2.335 178.830 176.600 -0.175 0.000 0.994 316 E CA 1.400 57.690 56.400 -0.183 0.000 0.801 316 E CB -0.166 29.487 29.700 -0.078 0.000 0.743 316 E HN 0.626 nan 8.360 nan 0.000 0.453 317 S N 0.087 115.707 115.700 -0.134 0.000 2.355 317 S HA -0.117 4.352 4.470 -0.001 0.000 0.222 317 S C 2.092 176.619 174.600 -0.123 0.000 1.031 317 S CA 1.140 59.274 58.200 -0.110 0.000 0.993 317 S CB -0.163 62.987 63.200 -0.084 0.000 0.859 317 S HN 0.311 nan 8.310 nan 0.000 0.453 318 A N 1.271 124.008 122.820 -0.138 0.000 1.930 318 A HA 0.081 4.400 4.320 -0.001 0.000 0.217 318 A C 2.048 179.530 177.584 -0.170 0.000 1.175 318 A CA 1.514 53.475 52.037 -0.127 0.000 0.627 318 A CB -0.351 18.585 19.000 -0.108 0.000 0.815 318 A HN 0.593 nan 8.150 nan 0.000 0.443 319 M N -1.815 117.624 119.600 -0.269 0.000 2.337 319 M HA 0.228 4.707 4.480 -0.001 0.000 0.256 319 M C 1.172 177.284 176.300 -0.312 0.000 1.075 319 M CA 0.682 55.767 55.300 -0.359 0.000 1.024 319 M CB -0.617 31.588 32.600 -0.658 0.000 1.429 319 M HN 0.770 nan 8.290 nan 0.000 0.497 320 G N 2.499 111.148 108.800 -0.252 0.000 2.289 320 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.280 320 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.280 320 G C -0.392 174.341 174.900 -0.277 0.000 1.089 320 G CA -0.069 44.910 45.100 -0.202 0.000 0.939 320 G HN 0.414 nan 8.290 nan 0.000 0.499 321 L N 0.166 121.188 121.223 -0.336 0.000 2.330 321 L HA 0.788 5.127 4.340 -0.001 0.000 0.271 321 L C 1.153 177.933 176.870 -0.151 0.000 1.013 321 L CA -0.658 53.915 54.840 -0.444 0.000 0.816 321 L CB 1.969 43.683 42.059 -0.574 0.000 1.287 321 L HN 0.385 nan 8.230 nan 0.000 0.435 322 T N -2.640 111.962 114.554 0.080 0.000 2.899 322 T HA 0.305 4.654 4.350 -0.001 0.000 0.284 322 T C -2.045 172.759 174.700 0.172 0.000 1.004 322 T CA -1.817 60.380 62.100 0.161 0.000 1.043 322 T CB 1.486 70.487 68.868 0.221 0.000 1.013 322 T HN 0.311 nan 8.240 nan 0.000 0.518 323 P HA -0.091 nan 4.420 nan 0.000 0.217 323 P C 1.109 178.489 177.300 0.134 0.000 1.148 323 P CA 1.035 64.173 63.100 0.063 0.000 0.828 323 P CB 0.027 31.554 31.700 -0.288 0.000 0.783 324 E N -2.092 118.159 120.200 0.085 0.000 2.268 324 E HA -0.175 4.174 4.350 -0.001 0.000 0.195 324 E C 1.698 178.357 176.600 0.098 0.000 0.995 324 E CA 0.901 57.339 56.400 0.063 0.000 0.836 324 E CB -0.820 28.875 29.700 -0.010 0.000 0.763 324 E HN 0.473 nan 8.360 nan 0.000 0.491 325 H N -1.018 118.136 119.070 0.139 0.000 2.456 325 H HA 0.065 4.620 4.556 -0.001 0.000 0.296 325 H C 0.764 176.257 175.328 0.275 0.000 1.079 325 H CA 1.076 57.250 56.048 0.211 0.000 1.322 325 H CB 0.131 29.992 29.762 0.166 0.000 1.388 325 H HN 0.085 nan 8.280 nan 0.000 0.538 326 M N 0.807 120.619 119.600 0.354 0.000 2.869 326 M HA 0.148 4.627 4.480 -0.001 0.000 0.353 326 M C 1.210 177.702 176.300 0.321 0.000 1.224 326 M CA -0.176 55.315 55.300 0.318 0.000 0.917 326 M CB 0.649 33.392 32.600 0.239 0.000 1.322 326 M HN 0.262 nan 8.290 nan 0.000 0.516 327 R N 0.173 120.835 120.500 0.269 0.000 2.105 327 R HA -0.095 4.244 4.340 -0.001 0.000 0.239 327 R C 1.780 178.218 176.300 0.231 0.000 1.135 327 R CA 1.872 58.113 56.100 0.234 0.000 0.967 327 R CB -0.761 29.626 30.300 0.145 0.000 0.861 327 R HN 0.364 nan 8.270 nan 0.000 0.442 328 A N 1.175 124.116 122.820 0.202 0.000 1.968 328 A HA -0.016 4.303 4.320 -0.001 0.000 0.217 328 A C 2.229 179.918 177.584 0.175 0.000 1.169 328 A CA 1.292 53.437 52.037 0.181 0.000 0.638 328 A CB -0.265 18.837 19.000 0.170 0.000 0.812 328 A HN 0.409 nan 8.150 nan 0.000 0.446 329 S N -1.136 114.657 115.700 0.155 0.000 2.356 329 S HA -0.160 4.309 4.470 -0.001 0.000 0.223 329 S C 1.795 176.420 174.600 0.042 0.000 1.032 329 S CA 1.518 59.756 58.200 0.063 0.000 1.005 329 S CB -0.604 62.583 63.200 -0.022 0.000 0.867 329 S HN 0.674 nan 8.310 nan 0.000 0.449 330 Y N 1.621 121.979 120.300 0.098 0.000 2.181 330 Y HA -0.198 4.351 4.550 -0.001 0.000 0.288 330 Y C 2.470 178.455 175.900 0.141 0.000 1.146 330 Y CA 1.508 59.677 58.100 0.114 0.000 1.164 330 Y CB -0.397 38.111 38.460 0.080 0.000 0.982 330 Y HN 0.290 nan 8.280 nan 0.000 0.515 331 D N -0.463 120.104 120.400 0.278 0.000 2.092 331 D HA -0.195 4.445 4.640 -0.001 0.000 0.193 331 D C 2.129 178.551 176.300 0.203 0.000 0.994 331 D CA 1.351 55.472 54.000 0.203 0.000 0.828 331 D CB 0.120 41.024 40.800 0.174 0.000 0.963 331 D HN -0.083 nan 8.370 nan 0.000 0.450 332 R N -0.753 119.881 120.500 0.223 0.000 2.081 332 R HA -0.111 4.228 4.340 -0.001 0.000 0.235 332 R C 2.106 178.539 176.300 0.221 0.000 1.131 332 R CA 1.088 57.343 56.100 0.260 0.000 0.960 332 R CB -1.359 29.077 30.300 0.227 0.000 0.856 332 R HN 0.427 nan 8.270 nan 0.000 0.436 333 Y N 0.672 120.998 120.300 0.042 0.000 2.114 333 Y HA -0.115 4.434 4.550 -0.002 0.000 0.284 333 Y C 1.985 177.883 175.900 -0.004 0.000 1.143 333 Y CA 1.540 59.627 58.100 -0.022 0.000 1.135 333 Y CB -0.319 38.079 38.460 -0.104 0.000 0.980 333 Y HN -0.060 nan 8.280 nan 0.000 0.499 334 I N 0.248 120.865 120.570 0.078 0.000 2.226 334 I HA -0.339 3.830 4.170 -0.001 0.000 0.245 334 I C 1.369 177.405 176.117 -0.134 0.000 1.100 334 I CA 2.108 63.390 61.300 -0.030 0.000 1.374 334 I CB -0.413 37.648 38.000 0.103 0.000 1.057 334 I HN 0.310 nan 8.210 nan 0.000 0.413 335 N N -1.511 117.108 118.700 -0.135 0.000 2.392 335 N HA 0.003 4.743 4.740 -0.001 0.000 0.177 335 N C 1.311 176.442 175.510 -0.632 0.000 1.066 335 N CA 0.497 53.340 53.050 -0.345 0.000 0.895 335 N CB 0.331 38.610 38.487 -0.347 0.000 0.988 335 N HN 0.346 nan 8.380 nan 0.000 0.457 336 H N -1.379 117.587 119.070 -0.173 0.000 3.643 336 H HA 0.289 4.845 4.556 -0.001 0.000 0.256 336 H C 1.059 176.322 175.328 -0.108 0.000 1.107 336 H CA 0.617 56.539 56.048 -0.209 0.000 1.175 336 H CB 1.113 30.652 29.762 -0.373 0.000 1.519 336 H HN 0.165 nan 8.280 nan 0.000 0.565 337 G N 2.015 110.771 108.800 -0.073 0.000 2.728 337 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.294 337 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.294 337 G C -0.433 174.461 174.900 -0.010 0.000 1.342 337 G CA -0.322 44.684 45.100 -0.156 0.000 0.866 337 G HN 0.339 nan 8.290 nan 0.000 0.534 338 N N 0.308 118.974 118.700 -0.057 0.000 2.415 338 N HA 0.451 5.191 4.740 -0.001 0.000 0.246 338 N C 0.725 176.335 175.510 0.167 0.000 1.078 338 N CA 0.346 53.394 53.050 -0.003 0.000 0.942 338 N CB 0.737 39.063 38.487 -0.268 0.000 1.140 338 N HN 0.509 nan 8.380 nan 0.000 0.501 339 S N 1.652 117.493 115.700 0.234 0.000 2.602 339 S HA 0.084 4.553 4.470 -0.001 0.000 0.246 339 S C 0.753 175.479 174.600 0.209 0.000 1.009 339 S CA -0.140 58.198 58.200 0.230 0.000 1.052 339 S CB -0.561 62.742 63.200 0.173 0.000 0.778 339 S HN 0.765 nan 8.310 nan 0.000 0.455 340 S N 2.507 118.412 115.700 0.341 0.000 4.054 340 S HA -0.333 4.137 4.470 -0.001 0.000 0.618 340 S C 1.861 176.452 174.600 -0.015 0.000 2.026 340 S CA 2.008 60.325 58.200 0.195 0.000 4.205 340 S CB -1.733 61.469 63.200 0.003 0.000 0.233 340 S HN 0.957 nan 8.310 nan 0.000 0.612 341 S N 1.582 117.204 115.700 -0.131 0.000 2.469 341 S HA 0.171 4.640 4.470 -0.001 0.000 0.238 341 S C 1.863 176.318 174.600 -0.241 0.000 0.998 341 S CA 1.597 59.664 58.200 -0.223 0.000 0.957 341 S CB -0.813 62.271 63.200 -0.194 0.000 0.764 341 S HN 1.576 nan 8.310 nan 0.000 0.514 342 A N 1.369 124.109 122.820 -0.132 0.000 2.119 342 A HA 0.125 4.444 4.320 -0.001 0.000 0.216 342 A C 2.225 179.750 177.584 -0.098 0.000 1.152 342 A CA 1.264 53.221 52.037 -0.134 0.000 0.708 342 A CB -1.087 17.855 19.000 -0.097 0.000 0.805 342 A HN 0.579 nan 8.150 nan 0.000 0.460 343 T N 0.155 114.713 114.554 0.006 0.000 2.777 343 T HA -0.115 4.234 4.350 -0.001 0.000 0.266 343 T C 1.783 176.539 174.700 0.094 0.000 1.040 343 T CA 1.409 63.581 62.100 0.120 0.000 1.141 343 T CB -0.296 68.737 68.868 0.276 0.000 0.868 343 T HN 0.352 nan 8.240 nan 0.000 0.444 344 I N 0.870 121.444 120.570 0.006 0.000 2.226 344 I HA -0.114 4.056 4.170 -0.001 0.000 0.245 344 I C 1.636 177.821 176.117 0.112 0.000 1.100 344 I CA 1.263 62.566 61.300 0.007 0.000 1.374 344 I CB -0.416 37.522 38.000 -0.103 0.000 1.057 344 I HN 0.072 nan 8.210 nan 0.000 0.413 345 F N -0.181 119.773 119.950 0.007 0.000 2.186 345 F HA -0.109 4.417 4.527 -0.001 0.000 0.299 345 F C 2.951 178.759 175.800 0.013 0.000 1.090 345 F CA 1.250 59.247 58.000 -0.005 0.000 1.307 345 F CB -1.793 37.195 39.000 -0.021 0.000 1.019 345 F HN 0.119 nan 8.300 nan 0.000 0.489 346 S N 0.177 115.986 115.700 0.183 0.000 2.370 346 S HA -0.151 4.318 4.470 -0.001 0.000 0.226 346 S C 2.307 177.001 174.600 0.157 0.000 1.033 346 S CA 1.495 59.767 58.200 0.120 0.000 1.011 346 S CB -0.554 62.683 63.200 0.062 0.000 0.852 346 S HN 0.085 nan 8.310 nan 0.000 0.457 347 V N 2.141 122.150 119.914 0.159 0.000 2.255 347 V HA -0.173 3.946 4.120 -0.001 0.000 0.247 347 V C 2.439 178.627 176.094 0.158 0.000 1.051 347 V CA 2.082 64.475 62.300 0.155 0.000 1.018 347 V CB -0.771 31.134 31.823 0.137 0.000 0.641 347 V HN 0.495 nan 8.190 nan 0.000 0.445 348 L N 0.304 121.617 121.223 0.151 0.000 2.127 348 L HA -0.217 4.122 4.340 -0.001 0.000 0.211 348 L C 2.393 179.408 176.870 0.240 0.000 1.089 348 L CA 1.964 56.889 54.840 0.141 0.000 0.757 348 L CB -0.725 41.349 42.059 0.026 0.000 0.899 348 L HN 0.458 nan 8.230 nan 0.000 0.434 349 N N 0.371 119.187 118.700 0.192 0.000 2.135 349 N HA -0.205 4.534 4.740 -0.001 0.000 0.186 349 N C 1.944 177.541 175.510 0.144 0.000 1.027 349 N CA 1.059 54.205 53.050 0.160 0.000 0.849 349 N CB 0.002 38.559 38.487 0.116 0.000 1.002 349 N HN -0.012 nan 8.380 nan 0.000 0.425 350 R N 0.147 120.736 120.500 0.148 0.000 2.096 350 R HA 0.004 4.343 4.340 -0.001 0.000 0.235 350 R C 1.984 178.367 176.300 0.139 0.000 1.127 350 R CA 0.838 57.020 56.100 0.138 0.000 0.968 350 R CB -0.916 29.475 30.300 0.151 0.000 0.861 350 R HN 0.367 nan 8.270 nan 0.000 0.440 351 L N 1.077 122.401 121.223 0.167 0.000 2.127 351 L HA -0.133 4.206 4.340 -0.001 0.000 0.211 351 L C 1.527 178.486 176.870 0.148 0.000 1.089 351 L CA 1.884 56.828 54.840 0.173 0.000 0.757 351 L CB -0.314 41.871 42.059 0.210 0.000 0.899 351 L HN 0.231 nan 8.230 nan 0.000 0.434 352 R N -0.410 120.174 120.500 0.139 0.000 2.320 352 R HA 0.211 4.550 4.340 -0.001 0.000 0.211 352 R C 0.185 176.507 176.300 0.037 0.000 0.931 352 R CA 0.025 56.161 56.100 0.060 0.000 1.071 352 R CB -1.107 29.178 30.300 -0.024 0.000 1.025 352 R HN 0.377 nan 8.270 nan 0.000 0.495 353 E N 1.230 121.466 120.200 0.059 0.000 2.343 353 E HA 0.150 4.500 4.350 -0.001 0.000 0.269 353 E C 0.176 176.801 176.600 0.041 0.000 1.047 353 E CA -0.621 55.807 56.400 0.046 0.000 0.874 353 E CB 1.016 30.751 29.700 0.059 0.000 1.033 353 E HN 0.021 nan 8.360 nan 0.000 0.409 354 K N 1.890 122.307 120.400 0.029 0.000 2.103 354 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 354 K C 1.305 177.922 176.600 0.029 0.000 1.048 354 K CA 1.624 57.925 56.287 0.024 0.000 0.930 354 K CB -0.074 32.436 32.500 0.017 0.000 0.716 354 K HN 0.635 nan 8.250 nan 0.000 0.444 355 D N -0.024 120.396 120.400 0.035 0.000 2.277 355 D HA -0.132 4.507 4.640 -0.001 0.000 0.208 355 D C 1.713 178.039 176.300 0.044 0.000 0.962 355 D CA 0.593 54.615 54.000 0.036 0.000 0.865 355 D CB 0.005 40.827 40.800 0.036 0.000 0.939 355 D HN 0.063 nan 8.370 nan 0.000 0.510 356 M N 1.221 120.855 119.600 0.056 0.000 2.200 356 M HA -0.059 4.420 4.480 -0.001 0.000 0.265 356 M C 1.226 177.560 176.300 0.056 0.000 1.066 356 M CA 0.912 56.252 55.300 0.067 0.000 1.127 356 M CB -0.637 32.017 32.600 0.090 0.000 1.379 356 M HN -0.084 nan 8.290 nan 0.000 0.420 357 D N 1.027 121.455 120.400 0.047 0.000 2.158 357 D HA -0.109 4.530 4.640 -0.001 0.000 0.197 357 D C 1.950 178.267 176.300 0.028 0.000 0.995 357 D CA 1.604 55.627 54.000 0.038 0.000 0.846 357 D CB -0.186 40.630 40.800 0.028 0.000 0.941 357 D HN 0.333 nan 8.370 nan 0.000 0.456 358 A N 0.118 122.953 122.820 0.025 0.000 2.019 358 A HA -0.089 4.230 4.320 -0.001 0.000 0.219 358 A C 2.052 179.644 177.584 0.014 0.000 1.164 358 A CA 0.843 52.891 52.037 0.018 0.000 0.644 358 A CB -0.458 18.552 19.000 0.017 0.000 0.805 358 A HN 0.273 nan 8.150 nan 0.000 0.449 359 L N -0.468 120.767 121.223 0.020 0.000 2.700 359 L HA 0.273 4.612 4.340 -0.001 0.000 0.234 359 L C 1.054 177.926 176.870 0.004 0.000 1.156 359 L CA -0.286 54.562 54.840 0.013 0.000 0.946 359 L CB -0.160 41.913 42.059 0.023 0.000 1.216 359 L HN 0.329 nan 8.230 nan 0.000 0.493 360 A N 1.087 123.911 122.820 0.006 0.000 2.520 360 A HA 0.321 4.640 4.320 -0.001 0.000 0.245 360 A C -2.149 175.405 177.584 -0.049 0.000 1.072 360 A CA -0.896 51.136 52.037 -0.009 0.000 0.761 360 A CB -0.482 18.526 19.000 0.014 0.000 1.004 360 A HN -0.016 nan 8.150 nan 0.000 0.499 361 P HA 0.214 nan 4.420 nan 0.000 0.264 361 P C 1.084 178.340 177.300 -0.073 0.000 1.183 361 P CA 1.757 64.762 63.100 -0.159 0.000 0.763 361 P CB 0.532 31.960 31.700 -0.454 0.000 0.807 362 G N 2.646 111.423 108.800 -0.038 0.000 2.175 362 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.265 362 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.265 362 G C 0.927 175.820 174.900 -0.012 0.000 0.979 362 G CA 0.598 45.688 45.100 -0.016 0.000 0.663 362 G HN 1.067 nan 8.290 nan 0.000 0.533 363 G N -1.540 107.252 108.800 -0.013 0.000 2.168 363 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.257 363 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.257 363 G C 0.217 175.118 174.900 0.002 0.000 0.997 363 G CA 1.213 46.311 45.100 -0.004 0.000 0.708 363 G HN 1.013 nan 8.290 nan 0.000 0.520 364 K N 0.548 120.950 120.400 0.003 0.000 2.450 364 K HA 0.536 4.855 4.320 -0.001 0.000 0.257 364 K C 0.311 176.934 176.600 0.039 0.000 0.953 364 K CA -0.780 55.519 56.287 0.019 0.000 0.844 364 K CB 1.957 34.466 32.500 0.015 0.000 1.103 364 K HN 0.091 nan 8.250 nan 0.000 0.429 365 V N 4.509 124.451 119.914 0.047 0.000 2.540 365 V HA -0.006 4.113 4.120 -0.001 0.000 0.297 365 V C 0.708 176.864 176.094 0.104 0.000 1.024 365 V CA -0.011 62.329 62.300 0.066 0.000 1.105 365 V CB 0.059 31.910 31.823 0.047 0.000 0.938 365 V HN 0.381 nan 8.190 nan 0.000 0.482 366 K N 4.044 124.533 120.400 0.149 0.000 2.218 366 K HA 0.217 4.537 4.320 -0.001 0.000 0.276 366 K C 0.967 177.647 176.600 0.132 0.000 1.022 366 K CA -0.189 56.244 56.287 0.244 0.000 0.946 366 K CB 1.118 33.816 32.500 0.331 0.000 1.000 366 K HN 0.723 nan 8.250 nan 0.000 0.468 367 E N 1.308 121.547 120.200 0.066 0.000 2.285 367 E HA -0.057 4.292 4.350 -0.001 0.000 0.194 367 E C -0.518 175.685 176.600 -0.662 0.000 0.997 367 E CA 0.771 56.979 56.400 -0.319 0.000 0.845 367 E CB 0.313 29.773 29.700 -0.400 0.000 0.782 367 E HN 0.422 nan 8.360 nan 0.000 0.491 368 Y N -0.785 119.352 120.300 -0.271 0.000 2.409 368 Y HA 0.467 5.016 4.550 -0.001 0.000 0.343 368 Y C -0.657 175.343 175.900 0.167 0.000 0.973 368 Y CA -1.093 56.954 58.100 -0.089 0.000 1.064 368 Y CB 2.045 40.397 38.460 -0.180 0.000 1.207 368 Y HN -0.346 nan 8.280 nan 0.000 0.452 369 V N 3.795 123.851 119.914 0.236 0.000 2.525 369 V HA 0.361 4.481 4.120 -0.001 0.000 0.299 369 V C -0.752 175.287 176.094 -0.091 0.000 1.034 369 V CA -1.001 61.357 62.300 0.097 0.000 0.863 369 V CB 1.753 33.612 31.823 0.060 0.000 0.999 369 V HN 0.534 nan 8.190 nan 0.000 0.423 370 V N 3.932 123.634 119.914 -0.353 0.000 2.432 370 V HA 0.616 4.735 4.120 -0.001 0.000 0.271 370 V C 0.950 176.864 176.094 -0.300 0.000 1.046 370 V CA -0.024 61.952 62.300 -0.539 0.000 0.945 370 V CB 1.377 32.449 31.823 -1.252 0.000 0.992 370 V HN 0.963 nan 8.190 nan 0.000 0.471 371 G N 2.907 111.606 108.800 -0.169 0.000 2.348 371 G HA2 0.521 4.480 3.960 -0.001 0.000 0.312 371 G HA3 0.521 4.480 3.960 -0.001 0.000 0.312 371 G C -0.885 173.992 174.900 -0.038 0.000 1.126 371 G CA -0.306 44.756 45.100 -0.063 0.000 0.865 371 G HN 0.856 nan 8.290 nan 0.000 0.474 372 C N 1.425 120.738 119.300 0.022 0.000 2.783 372 C HA 0.921 5.381 4.460 -0.001 0.000 0.312 372 C C -0.182 174.776 174.990 -0.053 0.000 1.182 372 C CA 0.241 59.244 59.018 -0.025 0.000 1.432 372 C CB 0.535 28.337 27.740 0.104 0.000 1.933 372 C HN 1.313 nan 8.230 nan 0.000 0.473 373 A N 3.791 126.463 122.820 -0.246 0.000 2.574 373 A HA 0.903 5.222 4.320 -0.001 0.000 0.297 373 A C -1.641 175.675 177.584 -0.447 0.000 1.062 373 A CA -0.345 51.577 52.037 -0.192 0.000 0.686 373 A CB 0.852 19.751 19.000 -0.169 0.000 1.285 373 A HN 0.737 nan 8.150 nan 0.000 0.403 374 F N 0.378 120.331 119.950 0.005 0.000 2.561 374 F HA 0.824 5.350 4.527 -0.002 0.000 0.321 374 F C 0.880 176.654 175.800 -0.043 0.000 1.065 374 F CA 0.132 58.130 58.000 -0.004 0.000 0.934 374 F CB 2.889 41.905 39.000 0.026 0.000 1.215 374 F HN 0.959 nan 8.300 nan 0.000 0.471 375 G N 0.612 109.494 108.800 0.137 0.000 2.645 375 G HA2 0.576 4.535 3.960 -0.001 0.000 0.292 375 G HA3 0.576 4.535 3.960 -0.001 0.000 0.292 375 G C -3.323 171.603 174.900 0.042 0.000 1.415 375 G CA -1.794 43.332 45.100 0.043 0.000 0.785 375 G HN 0.214 nan 8.290 nan 0.000 0.483 376 P HA 0.222 nan 4.420 nan 0.000 0.261 376 P C 0.831 178.144 177.300 0.021 0.000 1.165 376 P CA 1.955 65.063 63.100 0.014 0.000 0.759 376 P CB 0.947 32.645 31.700 -0.003 0.000 0.772 377 G N 3.012 111.832 108.800 0.032 0.000 4.399 377 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.158 377 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.158 377 G C -0.247 174.679 174.900 0.044 0.000 1.911 377 G CA -0.449 44.673 45.100 0.038 0.000 0.926 377 G HN 0.438 nan 8.290 nan 0.000 0.292 378 I N 3.039 123.637 120.570 0.046 0.000 2.471 378 I HA 0.259 4.428 4.170 -0.001 0.000 0.286 378 I C -0.560 175.606 176.117 0.081 0.000 1.079 378 I CA -0.536 60.805 61.300 0.068 0.000 1.398 378 I CB 0.883 38.933 38.000 0.082 0.000 1.403 378 I HN 0.114 nan 8.210 nan 0.000 0.530 379 N N 5.802 124.543 118.700 0.068 0.000 2.479 379 N HA 0.405 5.144 4.740 -0.001 0.000 0.285 379 N C -0.797 174.730 175.510 0.027 0.000 1.075 379 N CA -0.367 52.705 53.050 0.036 0.000 0.967 379 N CB 1.864 40.349 38.487 -0.003 0.000 1.137 379 N HN 0.187 nan 8.380 nan 0.000 0.472 380 V N 1.678 121.579 119.914 -0.022 0.000 2.513 380 V HA 0.421 4.540 4.120 -0.001 0.000 0.299 380 V C -0.154 175.835 176.094 -0.174 0.000 1.035 380 V CA -0.688 61.505 62.300 -0.179 0.000 0.889 380 V CB 1.782 33.543 31.823 -0.103 0.000 0.988 380 V HN 0.497 nan 8.190 nan 0.000 0.440 381 E N 5.536 125.578 120.200 -0.264 0.000 2.246 381 E HA 0.640 4.989 4.350 -0.001 0.000 0.266 381 E C -0.840 175.659 176.600 -0.168 0.000 0.880 381 E CA -0.451 55.853 56.400 -0.161 0.000 0.762 381 E CB 2.663 32.276 29.700 -0.145 0.000 1.180 381 E HN 0.835 nan 8.360 nan 0.000 0.416 382 M N 0.437 119.991 119.600 -0.078 0.000 2.593 382 M HA 0.783 5.262 4.480 -0.001 0.000 0.290 382 M C -0.805 175.497 176.300 0.004 0.000 1.244 382 M CA -0.803 54.463 55.300 -0.056 0.000 0.857 382 M CB 2.177 34.744 32.600 -0.056 0.000 1.738 382 M HN 0.595 nan 8.290 nan 0.000 0.461 383 C N 1.253 120.540 119.300 -0.021 0.000 3.090 383 C HA 0.925 5.384 4.460 -0.001 0.000 0.305 383 C C -0.888 174.067 174.990 -0.058 0.000 1.292 383 C CA -0.725 58.310 59.018 0.027 0.000 1.482 383 C CB 1.790 29.568 27.740 0.063 0.000 1.897 383 C HN 1.122 nan 8.230 nan 0.000 0.469 384 M N 2.720 122.304 119.600 -0.027 0.000 2.243 384 M HA 0.775 5.254 4.480 -0.001 0.000 0.324 384 M C -1.376 174.941 176.300 0.028 0.000 1.031 384 M CA -0.941 54.329 55.300 -0.051 0.000 0.949 384 M CB 0.884 33.437 32.600 -0.077 0.000 1.615 384 M HN 0.796 nan 8.290 nan 0.000 0.430 385 L N 3.461 124.702 121.223 0.030 0.000 2.333 385 L HA 0.630 4.969 4.340 -0.001 0.000 0.269 385 L C -0.475 176.464 176.870 0.114 0.000 1.010 385 L CA -0.946 53.928 54.840 0.058 0.000 0.818 385 L CB 1.994 44.008 42.059 -0.075 0.000 1.306 385 L HN 0.629 nan 8.230 nan 0.000 0.430 386 K N 2.533 122.979 120.400 0.076 0.000 2.265 386 K HA 0.350 4.669 4.320 -0.001 0.000 0.267 386 K C -0.593 175.977 176.600 -0.051 0.000 0.994 386 K CA -0.671 55.524 56.287 -0.153 0.000 0.860 386 K CB 1.212 33.607 32.500 -0.175 0.000 1.099 386 K HN 0.499 nan 8.250 nan 0.000 0.448 387 R N 4.627 125.058 120.500 -0.114 0.000 2.234 387 R HA 0.175 4.514 4.340 -0.001 0.000 0.324 387 R C -0.102 176.076 176.300 -0.203 0.000 1.054 387 R CA -0.523 55.511 56.100 -0.110 0.000 0.912 387 R CB 0.593 30.872 30.300 -0.035 0.000 1.030 387 R HN 0.623 nan 8.270 nan 0.000 0.455 388 R N 0.000 120.370 120.500 -0.217 0.000 2.786 388 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 388 R CA 0.000 56.002 56.100 -0.164 0.000 0.921 388 R CB 0.000 30.214 30.300 -0.144 0.000 0.687 388 R HN 0.000 nan 8.270 nan 0.000 0.535