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 3gli_1_C DATA FIRST_RESID 4 DATA SEQUENCE QVLARKWRPQ TFADVVGQEH VLTALANGLS LGRIHHAYLF SGTRGVGKTS DATA SEQUENCE IARLLAKGLN CETGITATPC GVCDNCREIE QGRFVDLIEI DAASRTKVED DATA SEQUENCE TRDLLDNVQY APARGRFKVY LIDEVHMLSR HSFNALLKTL EEPPEHVKFL DATA SEQUENCE LATTDPQKLP VTILSRCLQF HLKALDVEQI RHQLEHILNE EHIAHEPRAL DATA SEQUENCE QLLARAAEGS LRDALSLTDQ AIASGDGQVS TQAVSAMLGT LDDDQALSLV DATA SEQUENCE EAMVEANGER VMALINEAAA RGIEWEALLV EMLGLLHRIA MVQLSPAALG DATA SEQUENCE NDMAAIELRM RELARTIPPT DIQLYYQTLL IGRKELPYAP DRRMGVEMTL DATA SEQUENCE LRALAFHPRM PLPEP 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.030 176.000 0.050 0.000 1.003 4 Q CA 0.000 55.825 55.803 0.037 0.000 1.022 4 Q CB 0.000 28.756 28.738 0.030 0.000 1.108 5 V N 2.661 122.607 119.914 0.054 0.000 2.350 5 V HA 0.277 4.397 4.120 -0.001 0.000 0.285 5 V C 1.518 177.675 176.094 0.105 0.000 1.014 5 V CA -0.135 62.204 62.300 0.064 0.000 0.831 5 V CB 1.061 32.912 31.823 0.046 0.000 1.000 5 V HN 0.633 nan 8.190 nan 0.000 0.433 6 L N 3.703 125.005 121.223 0.130 0.000 2.012 6 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 6 L C 2.693 179.691 176.870 0.213 0.000 1.073 6 L CA 2.131 57.103 54.840 0.219 0.000 0.748 6 L CB -0.423 41.703 42.059 0.111 0.000 0.891 6 L HN 0.839 nan 8.230 nan 0.000 0.431 7 A N -0.219 122.668 122.820 0.113 0.000 1.915 7 A HA -0.320 3.999 4.320 -0.001 0.000 0.220 7 A C 2.446 180.088 177.584 0.097 0.000 1.198 7 A CA 2.399 54.488 52.037 0.087 0.000 0.647 7 A CB -0.670 18.360 19.000 0.050 0.000 0.825 7 A HN 0.384 nan 8.150 nan 0.000 0.456 8 R N -0.888 119.661 120.500 0.082 0.000 2.080 8 R HA -0.016 4.324 4.340 -0.001 0.000 0.222 8 R C 2.330 178.653 176.300 0.038 0.000 1.107 8 R CA 1.274 57.404 56.100 0.050 0.000 0.980 8 R CB -0.250 30.066 30.300 0.026 0.000 0.879 8 R HN 0.577 nan 8.270 nan 0.000 0.439 9 K N -0.567 119.865 120.400 0.054 0.000 2.209 9 K HA -0.161 4.158 4.320 -0.001 0.000 0.204 9 K C 0.702 177.148 176.600 -0.257 0.000 1.048 9 K CA 1.311 57.546 56.287 -0.087 0.000 0.940 9 K CB 0.026 32.491 32.500 -0.058 0.000 0.729 9 K HN 0.209 nan 8.250 nan 0.000 0.451 10 W N 1.499 122.797 121.300 -0.004 0.000 3.239 10 W HA 0.221 4.880 4.660 -0.001 0.000 0.348 10 W C 0.116 176.625 176.519 -0.016 0.000 1.183 10 W CA -0.685 56.659 57.345 -0.002 0.000 1.819 10 W CB 0.323 29.788 29.460 0.007 0.000 1.091 10 W HN -0.107 nan 8.180 nan 0.000 0.629 11 R N 2.626 123.179 120.500 0.088 0.000 2.486 11 R HA 0.014 4.354 4.340 -0.001 0.000 0.303 11 R C -2.269 174.032 176.300 0.003 0.000 0.958 11 R CA -1.058 55.061 56.100 0.032 0.000 1.077 11 R CB 0.211 30.506 30.300 -0.008 0.000 0.921 11 R HN -0.166 nan 8.270 nan 0.000 0.406 12 P HA -0.005 nan 4.420 nan 0.000 0.268 12 P C -0.407 176.870 177.300 -0.039 0.000 1.205 12 P CA -0.053 63.042 63.100 -0.008 0.000 0.771 12 P CB 0.802 32.477 31.700 -0.042 0.000 0.858 13 Q N 0.052 119.836 119.800 -0.027 0.000 2.281 13 Q HA 0.136 4.475 4.340 -0.001 0.000 0.215 13 Q C 0.510 176.515 176.000 0.007 0.000 0.867 13 Q CA 0.697 56.482 55.803 -0.030 0.000 0.940 13 Q CB 0.417 29.125 28.738 -0.050 0.000 1.111 13 Q HN 0.645 nan 8.270 nan 0.000 0.513 14 T N -4.389 110.188 114.554 0.038 0.000 2.816 14 T HA 0.433 4.783 4.350 -0.001 0.000 0.299 14 T C 0.415 175.229 174.700 0.190 0.000 1.230 14 T CA -0.651 61.525 62.100 0.128 0.000 1.007 14 T CB 0.205 69.119 68.868 0.076 0.000 1.289 14 T HN -0.225 nan 8.240 nan 0.000 0.508 15 F N 1.057 120.962 119.950 -0.076 0.000 2.171 15 F HA 0.099 4.626 4.527 -0.001 0.000 0.300 15 F C 3.039 178.800 175.800 -0.066 0.000 1.090 15 F CA 1.276 59.227 58.000 -0.082 0.000 1.293 15 F CB -1.387 37.562 39.000 -0.084 0.000 1.013 15 F HN 0.853 nan 8.300 nan 0.000 0.486 16 A N 0.101 123.011 122.820 0.149 0.000 1.940 16 A HA -0.263 4.056 4.320 -0.001 0.000 0.221 16 A C 1.787 179.381 177.584 0.017 0.000 1.190 16 A CA 2.390 54.462 52.037 0.058 0.000 0.647 16 A CB -0.920 18.104 19.000 0.040 0.000 0.821 16 A HN 0.363 nan 8.150 nan 0.000 0.457 17 D N -0.826 119.585 120.400 0.018 0.000 2.340 17 D HA 0.175 4.814 4.640 -0.001 0.000 0.220 17 D C 0.074 176.358 176.300 -0.026 0.000 1.039 17 D CA 0.123 54.126 54.000 0.005 0.000 0.866 17 D CB 0.020 40.844 40.800 0.041 0.000 0.913 17 D HN 0.209 nan 8.370 nan 0.000 0.523 18 V N 1.561 121.437 119.914 -0.063 0.000 2.498 18 V HA 0.099 4.218 4.120 -0.001 0.000 0.279 18 V C 0.658 176.700 176.094 -0.088 0.000 1.048 18 V CA -0.641 61.594 62.300 -0.108 0.000 0.967 18 V CB 2.034 33.735 31.823 -0.204 0.000 0.988 18 V HN -0.189 nan 8.190 nan 0.000 0.473 19 V N 5.462 125.329 119.914 -0.077 0.000 2.498 19 V HA 0.616 4.736 4.120 -0.001 0.000 0.279 19 V C 1.162 177.221 176.094 -0.059 0.000 1.048 19 V CA 0.914 63.175 62.300 -0.065 0.000 0.967 19 V CB 0.452 32.246 31.823 -0.049 0.000 0.988 19 V HN 1.290 nan 8.190 nan 0.000 0.473 20 G N 4.242 113.014 108.800 -0.047 0.000 2.581 20 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.289 20 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.289 20 G C 0.140 175.021 174.900 -0.031 0.000 1.303 20 G CA 0.373 45.462 45.100 -0.018 0.000 0.931 20 G HN 1.074 nan 8.290 nan 0.000 0.555 21 Q N -2.119 117.687 119.800 0.011 0.000 2.503 21 Q HA -0.191 4.149 4.340 -0.001 0.000 0.267 21 Q C 1.276 177.185 176.000 -0.151 0.000 1.030 21 Q CA 1.953 57.696 55.803 -0.100 0.000 1.041 21 Q CB -1.806 26.831 28.738 -0.169 0.000 1.406 21 Q HN 0.873 nan 8.270 nan 0.000 0.524 22 E N -0.181 120.023 120.200 0.007 0.000 2.130 22 E HA -0.210 4.139 4.350 -0.001 0.000 0.196 22 E C 1.561 178.188 176.600 0.045 0.000 0.998 22 E CA 1.977 58.394 56.400 0.028 0.000 0.806 22 E CB -0.397 29.346 29.700 0.071 0.000 0.738 22 E HN 0.909 nan 8.360 nan 0.000 0.459 23 H N -1.728 117.395 119.070 0.089 0.000 2.521 23 H HA 0.032 4.587 4.556 -0.001 0.000 0.286 23 H C 1.579 177.038 175.328 0.219 0.000 1.034 23 H CA 1.090 57.220 56.048 0.136 0.000 1.278 23 H CB -0.127 29.714 29.762 0.131 0.000 1.386 23 H HN 0.019 nan 8.280 nan 0.000 0.567 24 V N 0.869 120.586 119.914 -0.328 0.000 2.403 24 V HA -0.084 4.035 4.120 -0.001 0.000 0.239 24 V C 2.533 178.534 176.094 -0.156 0.000 1.041 24 V CA 0.892 63.094 62.300 -0.164 0.000 1.051 24 V CB -0.485 31.176 31.823 -0.270 0.000 0.704 24 V HN 0.352 nan 8.190 nan 0.000 0.472 25 L N 0.126 121.254 121.223 -0.158 0.000 2.043 25 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 25 L C 2.583 179.506 176.870 0.088 0.000 1.075 25 L CA 2.155 56.971 54.840 -0.040 0.000 0.752 25 L CB -1.085 40.955 42.059 -0.032 0.000 0.891 25 L HN 0.373 nan 8.230 nan 0.000 0.432 26 T N -0.452 114.143 114.554 0.069 0.000 2.867 26 T HA -0.086 4.263 4.350 -0.001 0.000 0.268 26 T C 1.908 176.681 174.700 0.121 0.000 1.057 26 T CA 1.139 63.297 62.100 0.097 0.000 1.136 26 T CB -0.032 68.894 68.868 0.097 0.000 0.874 26 T HN 0.468 nan 8.240 nan 0.000 0.466 27 A N 1.235 124.152 122.820 0.162 0.000 1.840 27 A HA 0.094 4.413 4.320 -0.001 0.000 0.214 27 A C 2.221 179.905 177.584 0.167 0.000 1.198 27 A CA 0.989 53.163 52.037 0.229 0.000 0.608 27 A CB -0.849 18.436 19.000 0.476 0.000 0.839 27 A HN 0.447 nan 8.150 nan 0.000 0.443 28 L N -0.449 120.823 121.223 0.082 0.000 2.043 28 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 28 L C 3.059 179.961 176.870 0.054 0.000 1.075 28 L CA 1.287 56.155 54.840 0.047 0.000 0.752 28 L CB -0.567 41.492 42.059 -0.001 0.000 0.891 28 L HN 0.455 nan 8.230 nan 0.000 0.432 29 A N -0.053 122.806 122.820 0.065 0.000 1.873 29 A HA -0.190 4.130 4.320 -0.001 0.000 0.215 29 A C 2.078 179.664 177.584 0.003 0.000 1.186 29 A CA 1.766 53.788 52.037 -0.025 0.000 0.616 29 A CB -0.579 18.406 19.000 -0.024 0.000 0.823 29 A HN 0.391 nan 8.150 nan 0.000 0.442 30 N N 0.285 119.014 118.700 0.047 0.000 2.094 30 N HA -0.129 4.611 4.740 -0.001 0.000 0.191 30 N C 1.758 177.306 175.510 0.064 0.000 1.023 30 N CA 1.662 54.745 53.050 0.056 0.000 0.857 30 N CB -0.724 37.811 38.487 0.080 0.000 1.013 30 N HN 0.478 nan 8.380 nan 0.000 0.426 31 G N 0.549 109.404 108.800 0.091 0.000 2.394 31 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.215 31 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.215 31 G C 1.685 176.631 174.900 0.076 0.000 1.165 31 G CA 0.209 45.375 45.100 0.111 0.000 0.784 31 G HN 0.200 nan 8.290 nan 0.000 0.535 32 L N 1.405 122.648 121.223 0.035 0.000 1.961 32 L HA -0.145 4.194 4.340 -0.001 0.000 0.210 32 L C 3.374 180.248 176.870 0.007 0.000 1.072 32 L CA 1.839 56.680 54.840 0.002 0.000 0.749 32 L CB -0.640 41.382 42.059 -0.063 0.000 0.889 32 L HN 0.458 nan 8.230 nan 0.000 0.432 33 S N -0.246 115.449 115.700 -0.009 0.000 2.419 33 S HA -0.184 4.286 4.470 -0.001 0.000 0.235 33 S C 1.852 176.463 174.600 0.019 0.000 1.019 33 S CA 0.995 59.193 58.200 -0.004 0.000 0.982 33 S CB -0.604 62.587 63.200 -0.015 0.000 0.789 33 S HN 0.393 nan 8.310 nan 0.000 0.490 34 L N 0.929 122.172 121.223 0.034 0.000 2.610 34 L HA 0.166 4.506 4.340 -0.001 0.000 0.232 34 L C 2.134 179.036 176.870 0.053 0.000 1.149 34 L CA 0.558 55.425 54.840 0.045 0.000 0.872 34 L CB -0.952 41.141 42.059 0.057 0.000 0.992 34 L HN 0.671 nan 8.230 nan 0.000 0.447 35 G N 0.651 109.484 108.800 0.056 0.000 2.228 35 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.270 35 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.270 35 G C 0.485 175.437 174.900 0.087 0.000 0.976 35 G CA 0.128 45.269 45.100 0.070 0.000 0.636 35 G HN 0.435 nan 8.290 nan 0.000 0.542 36 R N 0.286 120.840 120.500 0.091 0.000 2.272 36 R HA 0.554 4.894 4.340 -0.001 0.000 0.334 36 R C -0.087 176.304 176.300 0.151 0.000 1.117 36 R CA 0.048 56.213 56.100 0.108 0.000 0.966 36 R CB 0.423 30.783 30.300 0.100 0.000 1.049 36 R HN 0.344 nan 8.270 nan 0.000 0.477 37 I N 2.372 123.039 120.570 0.161 0.000 2.466 37 I HA 0.228 4.398 4.170 -0.001 0.000 0.289 37 I C 0.512 176.770 176.117 0.236 0.000 1.026 37 I CA -0.854 60.583 61.300 0.229 0.000 1.078 37 I CB 1.997 40.086 38.000 0.149 0.000 1.249 37 I HN 0.525 nan 8.210 nan 0.000 0.429 38 H N 5.323 124.525 119.070 0.220 0.000 2.408 38 H HA 0.282 4.837 4.556 -0.001 0.000 0.345 38 H C 0.294 175.678 175.328 0.094 0.000 1.547 38 H CA 0.280 56.288 56.048 -0.068 0.000 1.447 38 H CB 1.201 30.616 29.762 -0.579 0.000 1.686 38 H HN 0.698 nan 8.280 nan 0.000 0.625 39 H N -1.114 118.075 119.070 0.199 0.000 2.986 39 H HA 0.447 5.002 4.556 -0.001 0.000 0.267 39 H C -0.702 174.850 175.328 0.375 0.000 1.072 39 H CA -0.039 56.157 56.048 0.248 0.000 1.202 39 H CB 0.714 30.569 29.762 0.155 0.000 1.535 39 H HN 0.357 nan 8.280 nan 0.000 0.522 40 A N 1.272 124.233 122.820 0.236 0.000 2.410 40 A HA 0.488 4.807 4.320 -0.001 0.000 0.289 40 A C -1.967 175.495 177.584 -0.204 0.000 1.200 40 A CA -0.536 51.606 52.037 0.175 0.000 0.751 40 A CB 0.513 19.599 19.000 0.145 0.000 1.161 40 A HN 0.266 nan 8.150 nan 0.000 0.459 41 Y N 1.739 122.057 120.300 0.030 0.000 2.331 41 Y HA 0.554 5.104 4.550 -0.001 0.000 0.338 41 Y C -0.122 175.628 175.900 -0.250 0.000 0.992 41 Y CA -0.607 57.410 58.100 -0.139 0.000 1.121 41 Y CB 1.972 40.383 38.460 -0.081 0.000 1.184 41 Y HN 0.653 nan 8.280 nan 0.000 0.469 42 L N 4.796 125.853 121.223 -0.276 0.000 2.322 42 L HA 0.677 5.017 4.340 -0.001 0.000 0.281 42 L C -1.893 174.769 176.870 -0.347 0.000 1.014 42 L CA -0.645 54.075 54.840 -0.199 0.000 0.815 42 L CB 0.428 42.435 42.059 -0.086 0.000 1.247 42 L HN 0.360 nan 8.230 nan 0.000 0.421 43 F N 3.457 123.497 119.950 0.149 0.000 2.493 43 F HA 0.738 5.265 4.527 -0.001 0.000 0.329 43 F C 0.210 176.033 175.800 0.039 0.000 1.126 43 F CA -0.285 57.780 58.000 0.108 0.000 0.937 43 F CB 2.130 41.168 39.000 0.063 0.000 1.146 43 F HN 0.597 nan 8.300 nan 0.000 0.442 44 S N 1.228 117.009 115.700 0.134 0.000 2.661 44 S HA 1.026 5.495 4.470 -0.001 0.000 0.285 44 S C -0.482 173.893 174.600 -0.375 0.000 1.138 44 S CA -0.641 57.513 58.200 -0.077 0.000 0.855 44 S CB 2.080 65.247 63.200 -0.055 0.000 1.136 44 S HN 1.442 nan 8.310 nan 0.000 0.484 45 G N 0.582 109.164 108.800 -0.363 0.000 2.333 45 G HA2 0.395 4.354 3.960 -0.001 0.000 0.330 45 G HA3 0.395 4.354 3.960 -0.001 0.000 0.330 45 G C -0.530 174.334 174.900 -0.061 0.000 1.465 45 G CA -0.319 44.628 45.100 -0.256 0.000 0.996 45 G HN 1.298 nan 8.290 nan 0.000 0.655 46 T N -0.253 114.299 114.554 -0.003 0.000 2.766 46 T HA 0.557 4.906 4.350 -0.001 0.000 0.295 46 T C 1.076 175.779 174.700 0.005 0.000 1.024 46 T CA -0.244 61.862 62.100 0.010 0.000 1.018 46 T CB 0.644 69.527 68.868 0.025 0.000 1.002 46 T HN 1.197 nan 8.240 nan 0.000 0.532 47 R N 0.370 120.876 120.500 0.009 0.000 2.583 47 R HA 0.196 4.536 4.340 -0.001 0.000 0.274 47 R C 0.979 177.283 176.300 0.006 0.000 0.998 47 R CA 0.658 56.764 56.100 0.011 0.000 1.081 47 R CB -1.459 28.850 30.300 0.015 0.000 0.940 47 R HN 1.532 nan 8.270 nan 0.000 0.413 48 G N 1.592 110.393 108.800 0.001 0.000 2.147 48 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.244 48 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.244 48 G C 0.271 175.163 174.900 -0.012 0.000 1.005 48 G CA 0.117 45.215 45.100 -0.004 0.000 0.713 48 G HN 0.515 nan 8.290 nan 0.000 0.515 49 V N -0.744 119.160 119.914 -0.018 0.000 3.647 49 V HA 0.554 4.674 4.120 -0.001 0.000 0.279 49 V C 2.044 178.107 176.094 -0.051 0.000 1.314 49 V CA 1.210 63.497 62.300 -0.021 0.000 1.125 49 V CB 0.081 31.901 31.823 -0.005 0.000 0.907 49 V HN 1.874 nan 8.190 nan 0.000 0.434 50 G N 1.148 109.906 108.800 -0.070 0.000 2.205 50 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.180 50 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.180 50 G C 0.919 175.709 174.900 -0.183 0.000 1.004 50 G CA 0.248 45.276 45.100 -0.120 0.000 0.670 50 G HN 0.488 nan 8.290 nan 0.000 0.496 51 K N 0.058 120.372 120.400 -0.145 0.000 1.978 51 K HA -0.077 4.243 4.320 -0.001 0.000 0.214 51 K C 2.144 178.590 176.600 -0.257 0.000 1.049 51 K CA 1.897 58.061 56.287 -0.205 0.000 0.939 51 K CB -1.082 31.401 32.500 -0.028 0.000 0.721 51 K HN 0.150 nan 8.250 nan 0.000 0.441 52 T N 1.866 116.345 114.554 -0.126 0.000 2.624 52 T HA -0.189 4.161 4.350 -0.001 0.000 0.268 52 T C 2.297 176.898 174.700 -0.165 0.000 1.041 52 T CA 2.396 64.433 62.100 -0.104 0.000 1.159 52 T CB -0.513 68.331 68.868 -0.039 0.000 0.863 52 T HN 0.485 nan 8.240 nan 0.000 0.434 53 S N 1.206 116.807 115.700 -0.165 0.000 2.402 53 S HA 0.036 4.505 4.470 -0.001 0.000 0.229 53 S C 2.066 176.498 174.600 -0.281 0.000 1.021 53 S CA 0.640 58.733 58.200 -0.178 0.000 0.974 53 S CB -0.515 62.606 63.200 -0.132 0.000 0.800 53 S HN 0.406 nan 8.310 nan 0.000 0.484 54 I N 2.254 122.583 120.570 -0.402 0.000 2.113 54 I HA -0.237 3.933 4.170 -0.001 0.000 0.238 54 I C 3.026 178.778 176.117 -0.608 0.000 1.070 54 I CA 1.299 62.244 61.300 -0.592 0.000 1.332 54 I CB -0.900 36.659 38.000 -0.735 0.000 1.044 54 I HN 0.352 nan 8.210 nan 0.000 0.402 55 A N 0.896 123.298 122.820 -0.696 0.000 1.903 55 A HA -0.285 4.034 4.320 -0.001 0.000 0.219 55 A C 2.370 179.829 177.584 -0.209 0.000 1.191 55 A CA 1.980 53.741 52.037 -0.460 0.000 0.638 55 A CB -0.799 18.051 19.000 -0.249 0.000 0.823 55 A HN 0.368 nan 8.150 nan 0.000 0.451 56 R N -0.827 119.567 120.500 -0.176 0.000 2.091 56 R HA -0.080 4.260 4.340 -0.001 0.000 0.238 56 R C 2.142 178.387 176.300 -0.092 0.000 1.136 56 R CA 1.463 57.501 56.100 -0.103 0.000 0.959 56 R CB -0.556 29.691 30.300 -0.088 0.000 0.856 56 R HN 0.555 nan 8.270 nan 0.000 0.437 57 L N 0.447 121.592 121.223 -0.129 0.000 2.042 57 L HA -0.225 4.114 4.340 -0.001 0.000 0.210 57 L C 2.434 179.367 176.870 0.105 0.000 1.076 57 L CA 0.790 55.623 54.840 -0.011 0.000 0.749 57 L CB -0.431 41.543 42.059 -0.141 0.000 0.893 57 L HN 0.210 nan 8.230 nan 0.000 0.432 58 L N 0.136 121.356 121.223 -0.005 0.000 2.017 58 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 58 L C 2.671 179.515 176.870 -0.043 0.000 1.073 58 L CA 2.101 56.947 54.840 0.011 0.000 0.745 58 L CB -0.881 41.118 42.059 -0.099 0.000 0.894 58 L HN 0.153 nan 8.230 nan 0.000 0.432 59 A N -0.559 122.232 122.820 -0.050 0.000 1.865 59 A HA -0.315 4.004 4.320 -0.001 0.000 0.217 59 A C 2.469 180.020 177.584 -0.055 0.000 1.191 59 A CA 2.203 54.215 52.037 -0.042 0.000 0.623 59 A CB -0.773 18.218 19.000 -0.015 0.000 0.826 59 A HN 0.490 nan 8.150 nan 0.000 0.444 60 K N -0.926 119.435 120.400 -0.065 0.000 2.218 60 K HA -0.149 4.171 4.320 -0.001 0.000 0.205 60 K C 1.765 178.313 176.600 -0.087 0.000 1.046 60 K CA 1.380 57.605 56.287 -0.103 0.000 0.933 60 K CB -0.370 32.085 32.500 -0.074 0.000 0.728 60 K HN 0.470 nan 8.250 nan 0.000 0.454 61 G N 0.108 108.876 108.800 -0.053 0.000 2.662 61 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.212 61 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.212 61 G C 1.316 176.178 174.900 -0.064 0.000 1.141 61 G CA -0.208 44.839 45.100 -0.088 0.000 0.797 61 G HN 0.144 nan 8.290 nan 0.000 0.531 62 L N 0.242 121.437 121.223 -0.047 0.000 2.201 62 L HA 0.069 4.409 4.340 -0.001 0.000 0.212 62 L C 1.612 178.580 176.870 0.163 0.000 1.105 62 L CA 0.691 55.533 54.840 0.003 0.000 0.775 62 L CB 0.039 42.020 42.059 -0.130 0.000 0.913 62 L HN 0.122 nan 8.230 nan 0.000 0.440 63 N N -1.747 116.997 118.700 0.073 0.000 2.177 63 N HA 0.050 4.789 4.740 -0.001 0.000 0.218 63 N C -0.139 175.356 175.510 -0.026 0.000 1.182 63 N CA -0.126 52.970 53.050 0.078 0.000 0.882 63 N CB 0.181 38.700 38.487 0.053 0.000 1.052 63 N HN 0.085 nan 8.380 nan 0.000 0.519 64 C N 1.988 121.259 119.300 -0.047 0.000 2.592 64 C HA 0.028 4.487 4.460 -0.001 0.000 0.408 64 C C 1.926 176.896 174.990 -0.033 0.000 1.436 64 C CA -0.077 58.901 59.018 -0.067 0.000 1.595 64 C CB -0.512 27.185 27.740 -0.071 0.000 2.487 64 C HN 0.459 nan 8.230 nan 0.000 0.610 65 E N 2.023 122.202 120.200 -0.036 0.000 2.273 65 E HA -0.209 4.140 4.350 -0.001 0.000 0.198 65 E C 2.108 178.700 176.600 -0.014 0.000 1.002 65 E CA 1.846 58.239 56.400 -0.013 0.000 0.828 65 E CB -0.014 29.680 29.700 -0.009 0.000 0.747 65 E HN 1.015 nan 8.360 nan 0.000 0.491 66 T N -1.948 112.592 114.554 -0.023 0.000 2.962 66 T HA 0.098 4.448 4.350 -0.001 0.000 0.270 66 T C 0.867 175.557 174.700 -0.015 0.000 1.088 66 T CA 0.831 62.918 62.100 -0.022 0.000 1.127 66 T CB 0.286 69.136 68.868 -0.031 0.000 0.883 66 T HN 0.277 nan 8.240 nan 0.000 0.493 67 G N 0.143 108.936 108.800 -0.010 0.000 2.369 67 G HA2 0.250 4.209 3.960 -0.001 0.000 0.307 67 G HA3 0.250 4.209 3.960 -0.001 0.000 0.307 67 G C -1.322 173.584 174.900 0.010 0.000 1.327 67 G CA -0.778 44.324 45.100 0.004 0.000 0.963 67 G HN 0.392 nan 8.290 nan 0.000 0.590 68 I N 1.711 122.303 120.570 0.036 0.000 2.406 68 I HA 0.424 4.594 4.170 -0.001 0.000 0.293 68 I C 0.674 176.782 176.117 -0.016 0.000 1.101 68 I CA 0.370 61.696 61.300 0.043 0.000 1.334 68 I CB 0.890 38.953 38.000 0.105 0.000 1.421 68 I HN 0.512 nan 8.210 nan 0.000 0.513 69 T N 3.941 118.454 114.554 -0.067 0.000 2.903 69 T HA 0.539 4.888 4.350 -0.001 0.000 0.299 69 T C 0.613 175.178 174.700 -0.225 0.000 1.093 69 T CA -0.271 61.757 62.100 -0.119 0.000 1.002 69 T CB 1.772 70.577 68.868 -0.105 0.000 1.127 69 T HN 0.543 nan 8.240 nan 0.000 0.488 70 A N 1.923 124.562 122.820 -0.301 0.000 2.206 70 A HA 0.228 4.548 4.320 -0.001 0.000 0.211 70 A C 1.175 178.345 177.584 -0.691 0.000 1.158 70 A CA 1.008 52.685 52.037 -0.601 0.000 0.761 70 A CB -0.415 18.286 19.000 -0.500 0.000 0.801 70 A HN 0.891 nan 8.150 nan 0.000 0.473 71 T N 0.160 114.498 114.554 -0.361 0.000 3.375 71 T HA 0.441 4.791 4.350 -0.001 0.000 0.363 71 T C -2.806 171.793 174.700 -0.168 0.000 1.837 71 T CA -1.939 60.015 62.100 -0.244 0.000 1.445 71 T CB 0.502 69.280 68.868 -0.150 0.000 1.089 71 T HN 0.148 nan 8.240 nan 0.000 0.722 72 P HA 0.087 nan 4.420 nan 0.000 0.267 72 P C 1.358 178.612 177.300 -0.077 0.000 1.200 72 P CA -0.431 62.603 63.100 -0.109 0.000 0.772 72 P CB 0.716 32.362 31.700 -0.089 0.000 0.855 73 C N -0.010 119.249 119.300 -0.069 0.000 2.514 73 C HA 0.294 4.754 4.460 -0.001 0.000 0.271 73 C C 1.878 176.839 174.990 -0.048 0.000 1.399 73 C CA 0.461 59.447 59.018 -0.053 0.000 1.765 73 C CB -1.635 26.077 27.740 -0.048 0.000 1.893 73 C HN 0.752 nan 8.230 nan 0.000 0.531 74 G N 0.736 109.502 108.800 -0.057 0.000 2.187 74 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.261 74 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.261 74 G C 0.742 175.613 174.900 -0.049 0.000 1.000 74 G CA 1.183 46.250 45.100 -0.055 0.000 0.718 74 G HN 1.761 nan 8.290 nan 0.000 0.519 75 V N -2.895 116.991 119.914 -0.047 0.000 3.359 75 V HA 0.316 4.435 4.120 -0.001 0.000 0.270 75 V C 1.643 177.717 176.094 -0.033 0.000 1.583 75 V CA 0.862 63.141 62.300 -0.036 0.000 1.019 75 V CB -0.558 31.248 31.823 -0.028 0.000 0.831 75 V HN 1.319 nan 8.190 nan 0.000 0.426 76 C N 0.717 119.992 119.300 -0.041 0.000 2.657 76 C HA 0.434 4.894 4.460 -0.001 0.000 0.404 76 C C 1.760 176.729 174.990 -0.034 0.000 1.291 76 C CA 0.450 59.448 59.018 -0.033 0.000 2.218 76 C CB 0.594 28.310 27.740 -0.039 0.000 2.687 76 C HN 0.573 nan 8.230 nan 0.000 0.634 77 D N 1.583 121.978 120.400 -0.008 0.000 2.170 77 D HA -0.153 4.487 4.640 -0.001 0.000 0.193 77 D C 1.738 178.040 176.300 0.002 0.000 1.004 77 D CA 1.992 56.003 54.000 0.017 0.000 0.860 77 D CB -0.259 40.571 40.800 0.050 0.000 0.931 77 D HN 0.723 nan 8.370 nan 0.000 0.448 78 N N -0.373 118.294 118.700 -0.054 0.000 2.142 78 N HA -0.095 4.645 4.740 -0.001 0.000 0.186 78 N C 1.947 177.194 175.510 -0.439 0.000 1.023 78 N CA 0.629 53.501 53.050 -0.297 0.000 0.852 78 N CB -0.677 37.638 38.487 -0.287 0.000 0.998 78 N HN 0.243 nan 8.380 nan 0.000 0.424 79 C N 0.549 119.704 119.300 -0.241 0.000 2.489 79 C HA 0.074 4.533 4.460 -0.001 0.000 0.279 79 C C 2.638 177.542 174.990 -0.144 0.000 1.266 79 C CA 0.187 59.086 59.018 -0.198 0.000 1.707 79 C CB -0.771 26.893 27.740 -0.126 0.000 2.059 79 C HN 0.463 nan 8.230 nan 0.000 0.481 80 R N 0.703 121.147 120.500 -0.093 0.000 2.091 80 R HA -0.151 4.189 4.340 -0.001 0.000 0.238 80 R C 1.980 178.257 176.300 -0.039 0.000 1.136 80 R CA 1.498 57.564 56.100 -0.056 0.000 0.959 80 R CB -0.331 29.948 30.300 -0.033 0.000 0.856 80 R HN 0.658 nan 8.270 nan 0.000 0.437 81 E N -0.007 120.178 120.200 -0.024 0.000 2.347 81 E HA -0.093 4.256 4.350 -0.001 0.000 0.196 81 E C 1.803 178.437 176.600 0.057 0.000 1.008 81 E CA 0.533 56.967 56.400 0.057 0.000 0.852 81 E CB 0.124 29.941 29.700 0.195 0.000 0.783 81 E HN 0.381 nan 8.360 nan 0.000 0.505 82 I N 0.792 121.310 120.570 -0.088 0.000 2.400 82 I HA -0.182 3.987 4.170 -0.001 0.000 0.248 82 I C 2.229 178.324 176.117 -0.037 0.000 1.109 82 I CA 0.746 62.001 61.300 -0.075 0.000 1.425 82 I CB -0.056 37.814 38.000 -0.217 0.000 1.094 82 I HN 0.069 nan 8.210 nan 0.000 0.425 83 E N 0.813 120.978 120.200 -0.057 0.000 2.065 83 E HA -0.315 4.034 4.350 -0.001 0.000 0.201 83 E C 1.848 178.433 176.600 -0.025 0.000 1.016 83 E CA 1.535 57.907 56.400 -0.046 0.000 0.818 83 E CB -0.130 29.538 29.700 -0.053 0.000 0.749 83 E HN 0.557 nan 8.360 nan 0.000 0.453 84 Q N -0.905 118.889 119.800 -0.011 0.000 2.466 84 Q HA 0.059 4.399 4.340 -0.001 0.000 0.210 84 Q C 1.012 177.022 176.000 0.016 0.000 0.961 84 Q CA 0.401 56.204 55.803 0.000 0.000 0.953 84 Q CB 0.556 29.297 28.738 0.005 0.000 1.011 84 Q HN 0.450 nan 8.270 nan 0.000 0.516 85 G N 2.415 111.231 108.800 0.026 0.000 2.166 85 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.260 85 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.260 85 G C 0.336 175.273 174.900 0.061 0.000 0.986 85 G CA 0.701 45.825 45.100 0.041 0.000 0.683 85 G HN 0.522 nan 8.290 nan 0.000 0.527 86 R N -1.299 119.247 120.500 0.078 0.000 3.135 86 R HA 0.621 4.961 4.340 -0.001 0.000 0.343 86 R C -0.403 175.980 176.300 0.138 0.000 1.227 86 R CA -0.941 55.205 56.100 0.076 0.000 1.227 86 R CB 0.136 30.464 30.300 0.047 0.000 1.436 86 R HN 0.245 nan 8.270 nan 0.000 0.595 87 F N 1.574 121.515 119.950 -0.015 0.000 2.361 87 F HA 0.234 4.760 4.527 -0.001 0.000 0.364 87 F C 1.128 176.916 175.800 -0.020 0.000 1.117 87 F CA -1.464 56.526 58.000 -0.016 0.000 1.071 87 F CB 1.451 40.440 39.000 -0.017 0.000 1.188 87 F HN -0.050 nan 8.300 nan 0.000 0.464 88 V N 3.517 123.069 119.914 -0.602 0.000 2.636 88 V HA -0.272 3.848 4.120 -0.001 0.000 0.258 88 V C 1.008 176.792 176.094 -0.516 0.000 1.092 88 V CA 2.088 64.103 62.300 -0.475 0.000 1.110 88 V CB -0.625 30.970 31.823 -0.381 0.000 0.685 88 V HN 0.698 nan 8.190 nan 0.000 0.481 89 D N -0.698 119.180 120.400 -0.870 0.000 2.431 89 D HA 0.242 4.882 4.640 -0.001 0.000 0.213 89 D C 0.155 176.409 176.300 -0.076 0.000 1.130 89 D CA -0.076 53.685 54.000 -0.397 0.000 0.834 89 D CB 1.122 41.735 40.800 -0.311 0.000 0.985 89 D HN 0.406 nan 8.370 nan 0.000 0.504 90 L N 1.658 122.923 121.223 0.069 0.000 2.313 90 L HA 0.402 4.742 4.340 -0.001 0.000 0.273 90 L C -0.789 176.081 176.870 -0.000 0.000 1.028 90 L CA -0.433 54.463 54.840 0.093 0.000 0.871 90 L CB 0.418 42.612 42.059 0.226 0.000 1.242 90 L HN -0.147 nan 8.230 nan 0.000 0.434 91 I N 3.705 124.217 120.570 -0.097 0.000 2.276 91 I HA 0.283 4.452 4.170 -0.001 0.000 0.290 91 I C 0.207 176.358 176.117 0.057 0.000 1.109 91 I CA -0.287 60.986 61.300 -0.045 0.000 1.229 91 I CB 0.461 38.390 38.000 -0.119 0.000 1.452 91 I HN 0.637 nan 8.210 nan 0.000 0.497 92 E N 6.706 126.941 120.200 0.060 0.000 2.070 92 E HA 0.353 4.702 4.350 -0.001 0.000 0.282 92 E C -0.681 175.966 176.600 0.078 0.000 1.104 92 E CA -0.426 56.018 56.400 0.074 0.000 0.876 92 E CB 0.721 30.452 29.700 0.051 0.000 1.055 92 E HN 0.545 nan 8.360 nan 0.000 0.401 93 I N 3.965 124.596 120.570 0.101 0.000 2.321 93 I HA 0.072 4.242 4.170 -0.001 0.000 0.291 93 I C 0.070 176.213 176.117 0.043 0.000 0.998 93 I CA -0.677 60.669 61.300 0.078 0.000 1.227 93 I CB 1.169 39.228 38.000 0.099 0.000 1.368 93 I HN 0.444 nan 8.210 nan 0.000 0.466 94 D N 6.312 126.726 120.400 0.023 0.000 2.416 94 D HA 0.146 4.786 4.640 -0.001 0.000 0.240 94 D C 1.067 177.353 176.300 -0.023 0.000 1.250 94 D CA -0.014 53.988 54.000 0.002 0.000 0.967 94 D CB 1.164 41.966 40.800 0.003 0.000 1.059 94 D HN 0.655 nan 8.370 nan 0.000 0.512 95 A N 3.525 126.319 122.820 -0.044 0.000 2.121 95 A HA 0.020 4.339 4.320 -0.001 0.000 0.218 95 A C 2.026 179.544 177.584 -0.110 0.000 1.154 95 A CA 1.284 53.270 52.037 -0.086 0.000 0.679 95 A CB -0.160 18.771 19.000 -0.115 0.000 0.795 95 A HN 0.582 nan 8.150 nan 0.000 0.458 96 A N -0.685 122.078 122.820 -0.096 0.000 2.167 96 A HA 0.158 4.477 4.320 -0.001 0.000 0.214 96 A C 1.987 179.543 177.584 -0.047 0.000 1.151 96 A CA 1.516 53.502 52.037 -0.085 0.000 0.735 96 A CB -0.201 18.759 19.000 -0.065 0.000 0.802 96 A HN 0.488 nan 8.150 nan 0.000 0.467 97 S N -1.085 114.592 115.700 -0.038 0.000 2.549 97 S HA 0.179 4.648 4.470 -0.001 0.000 0.225 97 S C 0.830 175.413 174.600 -0.028 0.000 1.039 97 S CA -0.397 57.789 58.200 -0.024 0.000 0.942 97 S CB 0.276 63.469 63.200 -0.012 0.000 0.881 97 S HN 0.391 nan 8.310 nan 0.000 0.503 98 R N 3.107 123.584 120.500 -0.037 0.000 4.048 98 R HA 0.271 4.610 4.340 -0.001 0.000 0.290 98 R C 0.807 177.064 176.300 -0.072 0.000 1.519 98 R CA 0.224 56.298 56.100 -0.043 0.000 1.446 98 R CB -0.712 29.569 30.300 -0.032 0.000 1.455 98 R HN 0.555 nan 8.270 nan 0.000 0.706 99 T N -2.825 111.686 114.554 -0.071 0.000 3.031 99 T HA 0.122 4.472 4.350 -0.001 0.000 0.254 99 T C 0.903 175.551 174.700 -0.087 0.000 1.060 99 T CA 0.256 62.299 62.100 -0.096 0.000 1.135 99 T CB 0.640 69.466 68.868 -0.070 0.000 0.896 99 T HN 0.084 nan 8.240 nan 0.000 0.472 100 K N 0.912 121.278 120.400 -0.057 0.000 2.149 100 K HA 0.328 4.647 4.320 -0.001 0.000 0.245 100 K C 1.359 177.929 176.600 -0.051 0.000 1.024 100 K CA -0.286 55.974 56.287 -0.043 0.000 0.899 100 K CB 0.890 33.369 32.500 -0.035 0.000 1.038 100 K HN -0.122 nan 8.250 nan 0.000 0.496 101 V N 1.309 121.198 119.914 -0.042 0.000 2.323 101 V HA -0.189 3.930 4.120 -0.001 0.000 0.244 101 V C 2.097 178.163 176.094 -0.048 0.000 1.041 101 V CA 1.599 63.876 62.300 -0.039 0.000 1.025 101 V CB -0.456 31.339 31.823 -0.045 0.000 0.656 101 V HN 0.644 nan 8.190 nan 0.000 0.451 102 E N 0.272 120.443 120.200 -0.049 0.000 2.085 102 E HA -0.239 4.110 4.350 -0.001 0.000 0.194 102 E C 1.999 178.575 176.600 -0.039 0.000 0.994 102 E CA 1.459 57.834 56.400 -0.042 0.000 0.801 102 E CB -0.582 29.095 29.700 -0.039 0.000 0.743 102 E HN 0.569 nan 8.360 nan 0.000 0.453 103 D N 0.026 120.402 120.400 -0.040 0.000 2.149 103 D HA -0.106 4.533 4.640 -0.001 0.000 0.198 103 D C 1.800 178.071 176.300 -0.048 0.000 0.990 103 D CA 1.450 55.427 54.000 -0.038 0.000 0.839 103 D CB -0.194 40.582 40.800 -0.039 0.000 0.948 103 D HN 0.196 nan 8.370 nan 0.000 0.460 104 T N 0.451 114.968 114.554 -0.063 0.000 2.851 104 T HA -0.025 4.325 4.350 -0.001 0.000 0.262 104 T C 2.000 176.656 174.700 -0.074 0.000 1.043 104 T CA 0.494 62.545 62.100 -0.081 0.000 1.140 104 T CB 0.080 68.886 68.868 -0.102 0.000 0.872 104 T HN 0.125 nan 8.240 nan 0.000 0.446 105 R N 1.255 121.720 120.500 -0.058 0.000 2.103 105 R HA -0.123 4.217 4.340 -0.001 0.000 0.242 105 R C 2.130 178.397 176.300 -0.055 0.000 1.142 105 R CA 1.682 57.750 56.100 -0.052 0.000 0.960 105 R CB -0.374 29.902 30.300 -0.039 0.000 0.858 105 R HN 0.349 nan 8.270 nan 0.000 0.439 106 D N 0.667 121.039 120.400 -0.046 0.000 2.117 106 D HA -0.140 4.499 4.640 -0.001 0.000 0.197 106 D C 1.965 178.235 176.300 -0.050 0.000 0.987 106 D CA 1.105 55.081 54.000 -0.040 0.000 0.829 106 D CB -0.206 40.580 40.800 -0.023 0.000 0.961 106 D HN 0.213 nan 8.370 nan 0.000 0.460 107 L N 0.065 121.254 121.223 -0.057 0.000 2.083 107 L HA -0.114 4.226 4.340 -0.001 0.000 0.209 107 L C 2.568 179.351 176.870 -0.144 0.000 1.083 107 L CA 0.585 55.376 54.840 -0.082 0.000 0.752 107 L CB -0.449 41.555 42.059 -0.092 0.000 0.899 107 L HN 0.039 nan 8.230 nan 0.000 0.433 108 L N -0.260 120.892 121.223 -0.119 0.000 1.976 108 L HA -0.239 4.101 4.340 -0.001 0.000 0.209 108 L C 2.463 179.269 176.870 -0.106 0.000 1.071 108 L CA 1.346 56.122 54.840 -0.106 0.000 0.746 108 L CB -0.695 41.318 42.059 -0.077 0.000 0.890 108 L HN 0.304 nan 8.230 nan 0.000 0.432 109 D N 0.197 120.534 120.400 -0.105 0.000 2.127 109 D HA -0.212 4.428 4.640 -0.001 0.000 0.190 109 D C 1.533 177.663 176.300 -0.283 0.000 1.000 109 D CA 1.383 55.296 54.000 -0.145 0.000 0.839 109 D CB -0.565 40.170 40.800 -0.108 0.000 0.955 109 D HN 0.246 nan 8.370 nan 0.000 0.446 110 N N 0.335 118.884 118.700 -0.252 0.000 2.551 110 N HA -0.030 4.709 4.740 -0.001 0.000 0.199 110 N C 1.343 176.766 175.510 -0.146 0.000 1.277 110 N CA -0.016 52.839 53.050 -0.325 0.000 0.870 110 N CB 0.375 38.804 38.487 -0.096 0.000 1.028 110 N HN 0.088 nan 8.380 nan 0.000 0.452 111 V N 0.979 120.827 119.914 -0.110 0.000 2.374 111 V HA -0.213 3.906 4.120 -0.001 0.000 0.241 111 V C 2.367 178.532 176.094 0.118 0.000 1.034 111 V CA 1.216 63.546 62.300 0.049 0.000 1.037 111 V CB -0.368 31.456 31.823 0.001 0.000 0.682 111 V HN 0.383 nan 8.190 nan 0.000 0.463 112 Q N -0.146 119.696 119.800 0.069 0.000 2.118 112 Q HA -0.239 4.100 4.340 -0.001 0.000 0.211 112 Q C 0.411 176.661 176.000 0.418 0.000 0.998 112 Q CA 1.686 57.621 55.803 0.220 0.000 0.872 112 Q CB -0.864 27.970 28.738 0.161 0.000 0.925 112 Q HN 0.532 nan 8.270 nan 0.000 0.414 113 Y N 1.468 121.873 120.300 0.176 0.000 2.712 113 Y HA 0.270 4.820 4.550 -0.001 0.000 0.333 113 Y C 0.822 176.855 175.900 0.223 0.000 1.225 113 Y CA -0.870 57.313 58.100 0.139 0.000 1.499 113 Y CB -0.325 38.192 38.460 0.094 0.000 1.288 113 Y HN 0.233 nan 8.280 nan 0.000 0.575 114 A N 6.205 129.179 122.820 0.256 0.000 2.332 114 A HA 0.471 4.790 4.320 -0.001 0.000 0.258 114 A C -1.986 175.708 177.584 0.184 0.000 1.087 114 A CA -1.435 50.716 52.037 0.189 0.000 0.802 114 A CB -0.551 18.434 19.000 -0.025 0.000 1.042 114 A HN 0.534 nan 8.150 nan 0.000 0.489 115 P HA 0.185 nan 4.420 nan 0.000 0.269 115 P C 0.602 177.904 177.300 0.003 0.000 1.217 115 P CA 0.564 63.701 63.100 0.062 0.000 0.783 115 P CB 0.757 32.491 31.700 0.057 0.000 0.898 116 A N 2.842 125.628 122.820 -0.056 0.000 1.843 116 A HA -0.005 4.314 4.320 -0.001 0.000 0.213 116 A C 1.839 179.386 177.584 -0.062 0.000 1.239 116 A CA 0.923 52.918 52.037 -0.070 0.000 0.606 116 A CB -0.336 18.594 19.000 -0.117 0.000 0.903 116 A HN 0.474 nan 8.150 nan 0.000 0.455 117 R N -0.699 119.743 120.500 -0.098 0.000 2.508 117 R HA 0.227 4.566 4.340 -0.001 0.000 0.300 117 R C 0.275 176.634 176.300 0.099 0.000 0.970 117 R CA 0.522 56.611 56.100 -0.017 0.000 1.102 117 R CB 0.925 31.212 30.300 -0.021 0.000 1.246 117 R HN 0.466 nan 8.270 nan 0.000 0.539 118 G N -0.503 108.352 108.800 0.092 0.000 2.537 118 G HA2 0.272 4.232 3.960 -0.001 0.000 0.308 118 G HA3 0.272 4.232 3.960 -0.001 0.000 0.308 118 G C 0.279 175.219 174.900 0.068 0.000 1.237 118 G CA -0.609 44.615 45.100 0.207 0.000 0.968 118 G HN -0.040 nan 8.290 nan 0.000 0.481 119 R N -1.039 119.479 120.500 0.029 0.000 2.120 119 R HA 0.014 4.353 4.340 -0.001 0.000 0.234 119 R C -0.277 175.714 176.300 -0.514 0.000 1.123 119 R CA 1.174 57.122 56.100 -0.252 0.000 0.975 119 R CB -0.118 30.017 30.300 -0.275 0.000 0.866 119 R HN 0.414 nan 8.270 nan 0.000 0.446 120 F N -0.754 119.243 119.950 0.078 0.000 2.578 120 F HA 0.342 4.869 4.527 -0.001 0.000 0.311 120 F C -0.239 175.550 175.800 -0.020 0.000 1.094 120 F CA -1.092 56.931 58.000 0.039 0.000 0.923 120 F CB 1.586 40.597 39.000 0.019 0.000 1.230 120 F HN -0.425 nan 8.300 nan 0.000 0.450 121 K N 2.212 122.653 120.400 0.068 0.000 2.284 121 K HA 0.556 4.876 4.320 -0.001 0.000 0.287 121 K C -1.308 175.141 176.600 -0.251 0.000 1.081 121 K CA -0.238 55.949 56.287 -0.166 0.000 0.910 121 K CB 0.729 33.072 32.500 -0.262 0.000 1.088 121 K HN 0.468 nan 8.250 nan 0.000 0.478 122 V N 6.041 125.809 119.914 -0.243 0.000 2.357 122 V HA 0.209 4.328 4.120 -0.001 0.000 0.284 122 V C -0.967 174.958 176.094 -0.280 0.000 1.018 122 V CA -0.853 61.325 62.300 -0.202 0.000 0.841 122 V CB 0.578 32.372 31.823 -0.049 0.000 0.991 122 V HN 0.580 nan 8.190 nan 0.000 0.437 123 Y N 5.339 125.582 120.300 -0.094 0.000 2.425 123 Y HA 0.499 5.048 4.550 -0.001 0.000 0.347 123 Y C 0.039 176.018 175.900 0.131 0.000 0.976 123 Y CA -0.673 57.446 58.100 0.032 0.000 1.190 123 Y CB 1.258 39.775 38.460 0.095 0.000 1.136 123 Y HN 0.566 nan 8.280 nan 0.000 0.517 124 L N 5.873 127.227 121.223 0.219 0.000 2.264 124 L HA 0.535 4.874 4.340 -0.001 0.000 0.287 124 L C -1.023 175.962 176.870 0.192 0.000 1.039 124 L CA -0.517 54.444 54.840 0.201 0.000 0.829 124 L CB 0.024 42.158 42.059 0.125 0.000 1.211 124 L HN 0.505 nan 8.230 nan 0.000 0.427 125 I N 4.908 125.605 120.570 0.211 0.000 2.307 125 I HA 0.276 4.445 4.170 -0.001 0.000 0.287 125 I C -0.224 175.960 176.117 0.111 0.000 1.054 125 I CA -0.334 61.053 61.300 0.145 0.000 1.218 125 I CB 0.840 38.917 38.000 0.129 0.000 1.398 125 I HN 0.591 nan 8.210 nan 0.000 0.475 126 D N 5.846 126.292 120.400 0.076 0.000 2.277 126 D HA 0.146 4.785 4.640 -0.001 0.000 0.250 126 D C 0.265 176.573 176.300 0.013 0.000 1.032 126 D CA 0.101 54.139 54.000 0.064 0.000 0.947 126 D CB 1.052 41.883 40.800 0.052 0.000 1.159 126 D HN 0.333 nan 8.370 nan 0.000 0.460 127 E N 0.653 120.867 120.200 0.024 0.000 2.228 127 E HA -0.159 4.191 4.350 -0.001 0.000 0.213 127 E C 0.708 177.114 176.600 -0.323 0.000 1.282 127 E CA 0.217 56.559 56.400 -0.097 0.000 0.707 127 E CB -1.845 27.800 29.700 -0.092 0.000 1.150 127 E HN 0.244 nan 8.360 nan 0.000 0.362 128 V N 1.332 121.191 119.914 -0.092 0.000 3.510 128 V HA -0.132 3.988 4.120 -0.001 0.000 0.270 128 V C 2.000 178.103 176.094 0.016 0.000 1.201 128 V CA 1.590 63.861 62.300 -0.047 0.000 1.166 128 V CB -0.522 31.354 31.823 0.088 0.000 0.825 128 V HN 0.561 nan 8.190 nan 0.000 0.484 129 H N -2.190 116.968 119.070 0.147 0.000 2.539 129 H HA 0.163 4.718 4.556 -0.001 0.000 0.267 129 H C 1.538 176.984 175.328 0.197 0.000 0.982 129 H CA 0.066 56.254 56.048 0.234 0.000 1.146 129 H CB -0.020 29.831 29.762 0.147 0.000 1.382 129 H HN 0.385 nan 8.280 nan 0.000 0.577 130 M N 1.147 120.638 119.600 -0.182 0.000 2.465 130 M HA 0.194 4.673 4.480 -0.001 0.000 0.249 130 M C 0.765 177.014 176.300 -0.086 0.000 1.130 130 M CA -0.077 55.168 55.300 -0.091 0.000 1.067 130 M CB 0.080 32.572 32.600 -0.181 0.000 1.394 130 M HN 0.140 nan 8.290 nan 0.000 0.483 131 L N 2.112 123.174 121.223 -0.267 0.000 2.559 131 L HA -0.039 4.301 4.340 -0.001 0.000 0.282 131 L C 1.164 177.917 176.870 -0.194 0.000 1.232 131 L CA -0.227 54.344 54.840 -0.448 0.000 0.885 131 L CB -0.216 41.169 42.059 -1.123 0.000 1.131 131 L HN 0.312 nan 8.230 nan 0.000 0.498 132 S N 3.121 118.777 115.700 -0.073 0.000 2.572 132 S HA -0.041 4.429 4.470 -0.001 0.000 0.262 132 S C 1.154 175.876 174.600 0.202 0.000 1.375 132 S CA -0.236 58.011 58.200 0.079 0.000 0.996 132 S CB 0.713 63.964 63.200 0.084 0.000 0.892 132 S HN 0.736 nan 8.310 nan 0.000 0.562 133 R N -0.060 120.565 120.500 0.208 0.000 2.091 133 R HA -0.162 4.178 4.340 -0.001 0.000 0.238 133 R C 2.182 178.558 176.300 0.127 0.000 1.136 133 R CA 1.736 57.944 56.100 0.181 0.000 0.959 133 R CB -0.543 29.757 30.300 -0.000 0.000 0.856 133 R HN 0.802 nan 8.270 nan 0.000 0.437 134 H N -0.407 118.713 119.070 0.084 0.000 2.353 134 H HA -0.076 4.479 4.556 -0.001 0.000 0.300 134 H C 2.129 177.469 175.328 0.019 0.000 1.090 134 H CA 2.018 58.091 56.048 0.041 0.000 1.327 134 H CB -0.062 29.709 29.762 0.015 0.000 1.383 134 H HN 0.344 nan 8.280 nan 0.000 0.508 135 S N -0.450 115.309 115.700 0.099 0.000 2.562 135 S HA -0.003 4.467 4.470 -0.001 0.000 0.221 135 S C 1.943 176.484 174.600 -0.099 0.000 0.975 135 S CA -0.069 58.112 58.200 -0.033 0.000 0.918 135 S CB -0.510 62.622 63.200 -0.113 0.000 0.772 135 S HN 0.173 nan 8.310 nan 0.000 0.531 136 F N 2.955 122.896 119.950 -0.015 0.000 2.118 136 F HA 0.091 4.617 4.527 -0.001 0.000 0.293 136 F C 2.554 178.323 175.800 -0.052 0.000 1.102 136 F CA 1.023 58.999 58.000 -0.040 0.000 1.247 136 F CB -0.247 38.731 39.000 -0.036 0.000 1.017 136 F HN 0.241 nan 8.300 nan 0.000 0.475 137 N N 0.502 119.300 118.700 0.164 0.000 2.309 137 N HA -0.133 4.606 4.740 -0.001 0.000 0.182 137 N C 1.944 177.475 175.510 0.035 0.000 1.018 137 N CA 0.893 53.983 53.050 0.068 0.000 0.876 137 N CB -0.325 38.179 38.487 0.027 0.000 0.972 137 N HN 0.226 nan 8.380 nan 0.000 0.434 138 A N 2.236 125.076 122.820 0.034 0.000 1.892 138 A HA -0.126 4.193 4.320 -0.001 0.000 0.218 138 A C 2.205 179.765 177.584 -0.039 0.000 1.188 138 A CA 1.107 53.144 52.037 -0.000 0.000 0.631 138 A CB -0.803 18.191 19.000 -0.011 0.000 0.822 138 A HN 0.206 nan 8.150 nan 0.000 0.447 139 L N -0.547 120.642 121.223 -0.057 0.000 2.456 139 L HA -0.087 4.253 4.340 -0.001 0.000 0.224 139 L C 2.337 179.145 176.870 -0.103 0.000 1.148 139 L CA 0.153 54.916 54.840 -0.128 0.000 0.825 139 L CB -0.455 41.506 42.059 -0.164 0.000 0.937 139 L HN 0.434 nan 8.230 nan 0.000 0.450 140 L N -0.064 121.137 121.223 -0.036 0.000 1.948 140 L HA -0.258 4.081 4.340 -0.001 0.000 0.212 140 L C 2.655 179.512 176.870 -0.020 0.000 1.074 140 L CA 1.694 56.524 54.840 -0.018 0.000 0.753 140 L CB -0.343 41.716 42.059 0.000 0.000 0.888 140 L HN 0.211 nan 8.230 nan 0.000 0.432 141 K N -0.777 119.615 120.400 -0.013 0.000 2.026 141 K HA -0.144 4.175 4.320 -0.001 0.000 0.208 141 K C 1.853 178.449 176.600 -0.006 0.000 1.048 141 K CA 1.917 58.202 56.287 -0.003 0.000 0.929 141 K CB -0.286 32.214 32.500 0.001 0.000 0.713 141 K HN 0.354 nan 8.250 nan 0.000 0.439 142 T N 1.561 116.102 114.554 -0.023 0.000 2.977 142 T HA -0.104 4.246 4.350 -0.001 0.000 0.271 142 T C 1.540 176.244 174.700 0.006 0.000 1.105 142 T CA 0.735 62.832 62.100 -0.004 0.000 1.116 142 T CB -0.019 68.839 68.868 -0.017 0.000 0.878 142 T HN 0.044 nan 8.240 nan 0.000 0.509 143 L N 0.867 122.051 121.223 -0.065 0.000 2.249 143 L HA 0.293 4.633 4.340 -0.001 0.000 0.207 143 L C 2.344 179.299 176.870 0.142 0.000 1.090 143 L CA 1.347 56.169 54.840 -0.030 0.000 0.802 143 L CB -0.451 41.519 42.059 -0.148 0.000 0.947 143 L HN 0.169 nan 8.230 nan 0.000 0.453 144 E N 0.289 120.540 120.200 0.085 0.000 2.077 144 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 144 E C -0.228 176.394 176.600 0.037 0.000 0.989 144 E CA 1.137 57.611 56.400 0.123 0.000 0.800 144 E CB 0.194 29.932 29.700 0.064 0.000 0.746 144 E HN 0.566 nan 8.360 nan 0.000 0.452 145 E N 0.866 121.035 120.200 -0.052 0.000 2.642 145 E HA 0.268 4.618 4.350 -0.001 0.000 0.284 145 E C -2.513 174.034 176.600 -0.088 0.000 1.039 145 E CA -1.707 54.620 56.400 -0.123 0.000 0.777 145 E CB 1.884 31.561 29.700 -0.038 0.000 1.473 145 E HN 0.142 nan 8.360 nan 0.000 0.388 146 P HA 0.405 nan 4.420 nan 0.000 0.297 146 P C -2.535 174.782 177.300 0.028 0.000 1.307 146 P CA -1.530 61.572 63.100 0.005 0.000 0.773 146 P CB 0.034 31.755 31.700 0.035 0.000 1.265 147 P HA 0.281 nan 4.420 nan 0.000 0.278 147 P C 0.621 178.070 177.300 0.248 0.000 1.266 147 P CA -0.354 62.870 63.100 0.207 0.000 0.807 147 P CB 0.706 32.655 31.700 0.414 0.000 1.094 148 E N 0.048 120.411 120.200 0.273 0.000 2.085 148 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 148 E C 1.481 178.291 176.600 0.350 0.000 0.994 148 E CA 1.282 57.828 56.400 0.242 0.000 0.801 148 E CB -0.293 29.496 29.700 0.149 0.000 0.743 148 E HN 0.608 nan 8.360 nan 0.000 0.453 149 H N -0.734 118.407 119.070 0.119 0.000 2.547 149 H HA 0.141 4.696 4.556 -0.001 0.000 0.266 149 H C 0.400 175.891 175.328 0.272 0.000 0.988 149 H CA 0.099 56.223 56.048 0.126 0.000 1.147 149 H CB -0.634 29.137 29.762 0.014 0.000 1.365 149 H HN -0.126 nan 8.280 nan 0.000 0.589 150 V N 2.350 122.198 119.914 -0.110 0.000 2.472 150 V HA 0.328 4.447 4.120 -0.001 0.000 0.290 150 V C -0.027 176.039 176.094 -0.047 0.000 1.037 150 V CA -0.732 61.452 62.300 -0.192 0.000 0.908 150 V CB 1.791 33.447 31.823 -0.278 0.000 0.985 150 V HN 0.174 nan 8.190 nan 0.000 0.454 151 K N 3.600 123.912 120.400 -0.147 0.000 2.422 151 K HA 0.592 4.912 4.320 -0.001 0.000 0.251 151 K C -1.488 175.007 176.600 -0.175 0.000 0.933 151 K CA -0.450 55.797 56.287 -0.066 0.000 0.798 151 K CB 2.326 34.766 32.500 -0.100 0.000 1.238 151 K HN 0.410 nan 8.250 nan 0.000 0.428 152 F N 2.268 122.381 119.950 0.271 0.000 2.403 152 F HA 0.410 4.936 4.527 -0.001 0.000 0.355 152 F C 0.127 176.080 175.800 0.255 0.000 1.119 152 F CA -0.671 57.484 58.000 0.259 0.000 1.007 152 F CB 1.013 40.142 39.000 0.214 0.000 1.194 152 F HN 0.090 nan 8.300 nan 0.000 0.443 153 L N 5.753 127.224 121.223 0.413 0.000 2.264 153 L HA 0.417 4.756 4.340 -0.001 0.000 0.287 153 L C -0.891 176.186 176.870 0.345 0.000 1.039 153 L CA -0.695 54.372 54.840 0.378 0.000 0.829 153 L CB 0.587 42.833 42.059 0.310 0.000 1.211 153 L HN 0.362 nan 8.230 nan 0.000 0.427 154 L N 3.170 124.576 121.223 0.305 0.000 2.352 154 L HA 0.882 5.222 4.340 -0.001 0.000 0.269 154 L C 0.126 177.170 176.870 0.290 0.000 1.034 154 L CA -0.395 54.590 54.840 0.241 0.000 0.806 154 L CB 1.704 43.865 42.059 0.169 0.000 1.244 154 L HN 0.660 nan 8.230 nan 0.000 0.447 155 A N 0.290 123.256 122.820 0.243 0.000 2.555 155 A HA 0.745 5.065 4.320 -0.001 0.000 0.297 155 A C -0.803 176.907 177.584 0.210 0.000 1.060 155 A CA -0.369 51.827 52.037 0.264 0.000 0.710 155 A CB 1.767 20.918 19.000 0.250 0.000 1.282 155 A HN 0.581 nan 8.150 nan 0.000 0.399 156 T N 0.098 114.777 114.554 0.209 0.000 2.893 156 T HA 0.488 4.838 4.350 -0.001 0.000 0.337 156 T C 1.003 175.789 174.700 0.144 0.000 1.587 156 T CA 0.509 62.764 62.100 0.257 0.000 1.066 156 T CB 1.227 70.305 68.868 0.350 0.000 1.414 156 T HN 0.810 nan 8.240 nan 0.000 0.488 157 T N 1.901 116.513 114.554 0.097 0.000 2.639 157 T HA 0.017 4.366 4.350 -0.001 0.000 0.261 157 T C 0.428 175.102 174.700 -0.043 0.000 1.053 157 T CA 1.439 63.530 62.100 -0.016 0.000 1.158 157 T CB -0.280 68.535 68.868 -0.089 0.000 0.863 157 T HN 0.791 nan 8.240 nan 0.000 0.413 158 D N 1.623 121.944 120.400 -0.133 0.000 2.381 158 D HA 0.234 4.873 4.640 -0.001 0.000 0.235 158 D C -2.602 173.707 176.300 0.015 0.000 1.068 158 D CA -2.219 51.750 54.000 -0.051 0.000 0.832 158 D CB 2.041 42.798 40.800 -0.072 0.000 1.101 158 D HN 0.119 nan 8.370 nan 0.000 0.515 159 P HA -0.052 nan 4.420 nan 0.000 0.236 159 P C 1.354 178.669 177.300 0.025 0.000 1.177 159 P CA 0.661 63.802 63.100 0.068 0.000 0.773 159 P CB 0.481 32.231 31.700 0.083 0.000 0.878 160 Q N 0.322 120.132 119.800 0.016 0.000 2.133 160 Q HA -0.226 4.114 4.340 -0.001 0.000 0.208 160 Q C 1.845 177.827 176.000 -0.029 0.000 0.991 160 Q CA 1.718 57.515 55.803 -0.010 0.000 0.867 160 Q CB -0.488 28.244 28.738 -0.009 0.000 0.911 160 Q HN 0.194 nan 8.270 nan 0.000 0.417 161 K N -0.012 120.383 120.400 -0.008 0.000 2.366 161 K HA 0.066 4.385 4.320 -0.001 0.000 0.198 161 K C 0.060 176.579 176.600 -0.135 0.000 1.044 161 K CA 0.173 56.454 56.287 -0.011 0.000 0.973 161 K CB 0.240 32.795 32.500 0.093 0.000 0.767 161 K HN 0.084 nan 8.250 nan 0.000 0.475 162 L N 2.476 123.600 121.223 -0.165 0.000 2.331 162 L HA 0.240 4.580 4.340 -0.001 0.000 0.278 162 L C -2.128 174.491 176.870 -0.418 0.000 1.106 162 L CA -2.282 52.296 54.840 -0.438 0.000 0.824 162 L CB 0.288 42.248 42.059 -0.165 0.000 1.142 162 L HN -0.138 nan 8.230 nan 0.000 0.443 163 P HA -0.037 nan 4.420 nan 0.000 0.265 163 P C 0.928 178.103 177.300 -0.208 0.000 1.187 163 P CA -0.219 62.678 63.100 -0.338 0.000 0.766 163 P CB 0.669 32.160 31.700 -0.348 0.000 0.820 164 V N 1.943 121.773 119.914 -0.139 0.000 2.720 164 V HA -0.234 3.885 4.120 -0.001 0.000 0.256 164 V C 2.125 178.169 176.094 -0.083 0.000 1.082 164 V CA 2.499 64.740 62.300 -0.099 0.000 1.101 164 V CB -1.903 29.874 31.823 -0.076 0.000 0.693 164 V HN 0.684 nan 8.190 nan 0.000 0.479 165 T N -0.695 113.809 114.554 -0.083 0.000 2.746 165 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 165 T C 1.869 176.540 174.700 -0.049 0.000 1.039 165 T CA 1.286 63.352 62.100 -0.057 0.000 1.142 165 T CB -0.316 68.522 68.868 -0.050 0.000 0.866 165 T HN 0.277 nan 8.240 nan 0.000 0.444 166 I N 1.309 121.838 120.570 -0.068 0.000 2.315 166 I HA 0.006 4.176 4.170 -0.001 0.000 0.248 166 I C 2.400 178.491 176.117 -0.043 0.000 1.117 166 I CA 0.867 62.145 61.300 -0.036 0.000 1.404 166 I CB -1.143 36.842 38.000 -0.025 0.000 1.071 166 I HN 0.284 nan 8.210 nan 0.000 0.419 167 L N 0.477 121.660 121.223 -0.066 0.000 2.109 167 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 167 L C 2.564 179.388 176.870 -0.076 0.000 1.086 167 L CA 1.440 56.238 54.840 -0.071 0.000 0.760 167 L CB -0.479 41.534 42.059 -0.075 0.000 0.910 167 L HN 0.284 nan 8.230 nan 0.000 0.437 168 S N -0.410 115.254 115.700 -0.060 0.000 2.555 168 S HA -0.090 4.379 4.470 -0.001 0.000 0.230 168 S C 1.805 176.384 174.600 -0.036 0.000 0.978 168 S CA 0.451 58.620 58.200 -0.051 0.000 0.934 168 S CB -0.232 62.946 63.200 -0.036 0.000 0.766 168 S HN 0.400 nan 8.310 nan 0.000 0.533 169 R N -0.459 120.023 120.500 -0.029 0.000 2.362 169 R HA 0.328 4.667 4.340 -0.001 0.000 0.227 169 R C -0.254 176.026 176.300 -0.033 0.000 0.905 169 R CA 0.027 56.139 56.100 0.020 0.000 1.067 169 R CB 0.256 30.588 30.300 0.053 0.000 1.078 169 R HN 0.425 nan 8.270 nan 0.000 0.516 170 C N 0.269 119.469 119.300 -0.167 0.000 2.848 170 C HA 0.489 4.948 4.460 -0.001 0.000 0.317 170 C C 0.175 174.843 174.990 -0.536 0.000 1.260 170 C CA -1.348 57.452 59.018 -0.364 0.000 1.656 170 C CB 1.319 28.922 27.740 -0.228 0.000 2.174 170 C HN 0.203 nan 8.230 nan 0.000 0.479 171 L N 2.089 122.831 121.223 -0.801 0.000 2.380 171 L HA 0.287 4.626 4.340 -0.001 0.000 0.273 171 L C 0.046 176.639 176.870 -0.461 0.000 1.138 171 L CA 0.438 54.887 54.840 -0.651 0.000 0.832 171 L CB 0.270 41.936 42.059 -0.655 0.000 1.124 171 L HN 0.748 nan 8.230 nan 0.000 0.454 172 Q N 3.786 123.305 119.800 -0.469 0.000 2.331 172 Q HA 0.510 4.850 4.340 -0.001 0.000 0.267 172 Q C -1.485 174.273 176.000 -0.404 0.000 1.006 172 Q CA -0.471 55.151 55.803 -0.301 0.000 0.818 172 Q CB 2.009 30.641 28.738 -0.177 0.000 1.276 172 Q HN 0.347 nan 8.270 nan 0.000 0.450 173 F N 1.203 121.091 119.950 -0.103 0.000 2.403 173 F HA 0.220 4.746 4.527 -0.001 0.000 0.355 173 F C -0.170 175.733 175.800 0.172 0.000 1.119 173 F CA -0.775 57.261 58.000 0.059 0.000 1.007 173 F CB 1.283 40.320 39.000 0.062 0.000 1.194 173 F HN 0.626 nan 8.300 nan 0.000 0.443 174 H N 4.590 123.842 119.070 0.303 0.000 2.741 174 H HA 0.412 4.967 4.556 -0.001 0.000 0.282 174 H C -0.455 175.098 175.328 0.375 0.000 1.122 174 H CA -0.418 55.786 56.048 0.261 0.000 1.293 174 H CB 0.463 30.305 29.762 0.133 0.000 1.415 174 H HN 0.458 nan 8.280 nan 0.000 0.472 175 L N 4.673 125.993 121.223 0.160 0.000 2.455 175 L HA 0.109 4.448 4.340 -0.001 0.000 0.272 175 L C 0.456 177.460 176.870 0.223 0.000 1.174 175 L CA 0.290 55.246 54.840 0.192 0.000 0.869 175 L CB 0.361 42.446 42.059 0.043 0.000 1.130 175 L HN 0.585 nan 8.230 nan 0.000 0.474 176 K N 2.055 122.645 120.400 0.318 0.000 2.144 176 K HA 0.521 4.840 4.320 -0.001 0.000 0.270 176 K C 0.153 176.830 176.600 0.130 0.000 1.005 176 K CA -0.599 55.821 56.287 0.221 0.000 0.932 176 K CB 1.435 34.041 32.500 0.177 0.000 1.021 176 K HN 0.721 nan 8.250 nan 0.000 0.462 177 A N 2.646 125.525 122.820 0.099 0.000 2.366 177 A HA 0.218 4.537 4.320 -0.001 0.000 0.250 177 A C -0.108 177.506 177.584 0.050 0.000 1.099 177 A CA -0.239 51.835 52.037 0.061 0.000 0.794 177 A CB 0.051 19.083 19.000 0.053 0.000 1.056 177 A HN 0.628 nan 8.150 nan 0.000 0.499 178 L N 0.836 122.078 121.223 0.032 0.000 2.334 178 L HA 0.281 4.621 4.340 -0.001 0.000 0.277 178 L C -0.422 176.460 176.870 0.021 0.000 1.075 178 L CA -0.795 54.060 54.840 0.025 0.000 0.804 178 L CB 0.979 43.045 42.059 0.012 0.000 1.174 178 L HN 0.650 nan 8.230 nan 0.000 0.438 179 D N 0.824 121.236 120.400 0.020 0.000 2.419 179 D HA -0.007 4.633 4.640 -0.001 0.000 0.236 179 D C 1.120 177.428 176.300 0.015 0.000 1.165 179 D CA -0.212 53.798 54.000 0.017 0.000 0.882 179 D CB 1.051 41.860 40.800 0.015 0.000 1.201 179 D HN 0.171 nan 8.370 nan 0.000 0.443 180 V N 0.957 120.880 119.914 0.015 0.000 2.332 180 V HA -0.249 3.870 4.120 -0.001 0.000 0.248 180 V C 2.202 178.305 176.094 0.016 0.000 1.055 180 V CA 1.964 64.271 62.300 0.013 0.000 1.038 180 V CB -0.531 31.299 31.823 0.013 0.000 0.651 180 V HN 0.582 nan 8.190 nan 0.000 0.450 181 E N 0.661 120.873 120.200 0.021 0.000 2.023 181 E HA -0.268 4.081 4.350 -0.001 0.000 0.196 181 E C 2.197 178.824 176.600 0.045 0.000 1.003 181 E CA 1.973 58.393 56.400 0.034 0.000 0.809 181 E CB -0.455 29.265 29.700 0.033 0.000 0.755 181 E HN 0.651 nan 8.360 nan 0.000 0.449 182 Q N -0.013 119.802 119.800 0.024 0.000 2.029 182 Q HA -0.205 4.134 4.340 -0.001 0.000 0.209 182 Q C 2.411 178.425 176.000 0.024 0.000 0.999 182 Q CA 2.300 58.112 55.803 0.015 0.000 0.857 182 Q CB -0.388 28.348 28.738 -0.003 0.000 0.926 182 Q HN 0.419 nan 8.270 nan 0.000 0.415 183 I N 0.199 120.774 120.570 0.009 0.000 2.113 183 I HA -0.366 3.803 4.170 -0.001 0.000 0.242 183 I C 2.618 178.729 176.117 -0.011 0.000 1.064 183 I CA 1.519 62.815 61.300 -0.006 0.000 1.320 183 I CB -0.630 37.364 38.000 -0.010 0.000 1.028 183 I HN 0.300 nan 8.210 nan 0.000 0.406 184 R N 0.052 120.552 120.500 0.000 0.000 2.097 184 R HA -0.255 4.085 4.340 -0.001 0.000 0.236 184 R C 2.649 178.936 176.300 -0.021 0.000 1.135 184 R CA 1.924 58.012 56.100 -0.020 0.000 0.934 184 R CB -0.580 29.716 30.300 -0.005 0.000 0.846 184 R HN 0.415 nan 8.270 nan 0.000 0.431 185 H N 0.141 119.179 119.070 -0.053 0.000 2.357 185 H HA -0.210 4.345 4.556 -0.001 0.000 0.296 185 H C 2.048 177.339 175.328 -0.063 0.000 1.108 185 H CA 2.407 58.426 56.048 -0.048 0.000 1.273 185 H CB 0.124 29.863 29.762 -0.038 0.000 1.367 185 H HN 0.284 nan 8.280 nan 0.000 0.498 186 Q N 0.514 120.358 119.800 0.073 0.000 2.046 186 Q HA -0.053 4.286 4.340 -0.001 0.000 0.200 186 Q C 2.764 178.690 176.000 -0.123 0.000 0.975 186 Q CA 1.199 56.992 55.803 -0.016 0.000 0.836 186 Q CB -0.356 28.356 28.738 -0.043 0.000 0.896 186 Q HN 0.472 nan 8.270 nan 0.000 0.428 187 L N 0.221 121.358 121.223 -0.142 0.000 2.079 187 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 187 L C 2.446 179.136 176.870 -0.300 0.000 1.081 187 L CA 1.745 56.457 54.840 -0.213 0.000 0.752 187 L CB -0.478 41.480 42.059 -0.169 0.000 0.896 187 L HN 0.439 nan 8.230 nan 0.000 0.433 188 E N -0.514 119.516 120.200 -0.283 0.000 2.001 188 E HA -0.284 4.065 4.350 -0.001 0.000 0.195 188 E C 2.245 178.682 176.600 -0.272 0.000 1.002 188 E CA 1.215 57.401 56.400 -0.357 0.000 0.819 188 E CB -0.164 29.362 29.700 -0.289 0.000 0.769 188 E HN 0.384 nan 8.360 nan 0.000 0.454 189 H N 0.598 119.506 119.070 -0.270 0.000 2.297 189 H HA -0.217 4.339 4.556 -0.001 0.000 0.289 189 H C 2.230 177.350 175.328 -0.347 0.000 1.105 189 H CA 2.308 58.221 56.048 -0.225 0.000 1.219 189 H CB -0.259 29.423 29.762 -0.134 0.000 1.351 189 H HN 0.258 nan 8.280 nan 0.000 0.481 190 I N 0.445 120.739 120.570 -0.461 0.000 2.202 190 I HA -0.291 3.878 4.170 -0.001 0.000 0.242 190 I C 2.812 178.616 176.117 -0.522 0.000 1.091 190 I CA 0.797 61.589 61.300 -0.846 0.000 1.368 190 I CB -0.227 37.150 38.000 -1.039 0.000 1.058 190 I HN 0.226 nan 8.210 nan 0.000 0.410 191 L N 0.327 121.317 121.223 -0.387 0.000 2.093 191 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 191 L C 2.285 179.046 176.870 -0.183 0.000 1.085 191 L CA 1.077 55.768 54.840 -0.249 0.000 0.755 191 L CB -0.742 41.149 42.059 -0.281 0.000 0.904 191 L HN 0.317 nan 8.230 nan 0.000 0.435 192 N N 0.009 118.569 118.700 -0.233 0.000 2.013 192 N HA -0.193 4.547 4.740 -0.001 0.000 0.195 192 N C 1.773 177.043 175.510 -0.399 0.000 1.051 192 N CA 1.187 54.096 53.050 -0.236 0.000 0.851 192 N CB -0.341 38.008 38.487 -0.230 0.000 1.044 192 N HN 0.168 nan 8.380 nan 0.000 0.422 193 E N 1.136 121.095 120.200 -0.402 0.000 2.086 193 E HA -0.168 4.181 4.350 -0.001 0.000 0.200 193 E C 1.258 177.772 176.600 -0.143 0.000 1.012 193 E CA 0.936 57.172 56.400 -0.274 0.000 0.812 193 E CB -0.260 29.407 29.700 -0.054 0.000 0.743 193 E HN 0.464 nan 8.360 nan 0.000 0.453 194 E N 0.503 120.685 120.200 -0.030 0.000 2.526 194 E HA -0.068 4.281 4.350 -0.001 0.000 0.198 194 E C -0.501 176.176 176.600 0.130 0.000 1.091 194 E CA -0.001 56.468 56.400 0.115 0.000 0.880 194 E CB -0.286 29.490 29.700 0.126 0.000 0.873 194 E HN 0.367 nan 8.360 nan 0.000 0.527 195 H N -0.119 118.968 119.070 0.028 0.000 2.686 195 H HA -0.190 4.365 4.556 -0.001 0.000 0.294 195 H C -0.093 175.252 175.328 0.028 0.000 0.852 195 H CA 0.750 56.812 56.048 0.023 0.000 0.949 195 H CB -1.296 28.479 29.762 0.022 0.000 1.575 195 H HN 0.205 nan 8.280 nan 0.000 0.310 196 I N 1.152 121.785 120.570 0.105 0.000 2.651 196 I HA 0.261 4.430 4.170 -0.001 0.000 0.287 196 I C 0.449 176.634 176.117 0.112 0.000 1.244 196 I CA -0.627 60.726 61.300 0.089 0.000 1.061 196 I CB 1.863 39.897 38.000 0.057 0.000 1.286 196 I HN 0.584 nan 8.210 nan 0.000 0.434 197 A N 5.321 128.180 122.820 0.066 0.000 2.540 197 A HA 0.349 4.669 4.320 -0.001 0.000 0.239 197 A C -0.399 177.230 177.584 0.076 0.000 1.061 197 A CA 0.761 52.809 52.037 0.019 0.000 0.758 197 A CB -0.346 18.651 19.000 -0.005 0.000 0.991 197 A HN 0.906 nan 8.150 nan 0.000 0.502 198 H N -0.745 118.308 119.070 -0.029 0.000 3.087 198 H HA 0.602 5.157 4.556 -0.001 0.000 0.348 198 H C -1.102 174.206 175.328 -0.032 0.000 1.092 198 H CA -0.715 55.312 56.048 -0.035 0.000 1.285 198 H CB 0.479 30.211 29.762 -0.049 0.000 1.875 198 H HN 0.575 nan 8.280 nan 0.000 0.512 199 E N 4.726 124.952 120.200 0.043 0.000 2.338 199 E HA 0.078 4.428 4.350 -0.001 0.000 0.272 199 E C -1.428 175.229 176.600 0.093 0.000 1.029 199 E CA -1.944 54.463 56.400 0.012 0.000 0.872 199 E CB 1.111 30.817 29.700 0.009 0.000 1.015 199 E HN 0.569 nan 8.360 nan 0.000 0.417 200 P HA -0.278 nan 4.420 nan 0.000 0.216 200 P C 1.209 178.542 177.300 0.054 0.000 1.157 200 P CA 1.493 64.641 63.100 0.081 0.000 0.880 200 P CB 0.191 31.907 31.700 0.027 0.000 0.791 201 R N 0.034 120.552 120.500 0.030 0.000 2.189 201 R HA 0.011 4.350 4.340 -0.001 0.000 0.223 201 R C 2.249 178.558 176.300 0.015 0.000 1.092 201 R CA 1.132 57.242 56.100 0.017 0.000 0.989 201 R CB -0.642 29.664 30.300 0.009 0.000 0.876 201 R HN 0.064 nan 8.270 nan 0.000 0.457 202 A N 0.905 123.740 122.820 0.024 0.000 2.015 202 A HA -0.076 4.244 4.320 -0.001 0.000 0.219 202 A C 2.026 179.610 177.584 0.000 0.000 1.163 202 A CA 0.918 52.964 52.037 0.015 0.000 0.646 202 A CB -0.282 18.734 19.000 0.026 0.000 0.806 202 A HN 0.322 nan 8.150 nan 0.000 0.448 203 L N -1.589 119.632 121.223 -0.002 0.000 2.068 203 L HA -0.151 4.189 4.340 -0.001 0.000 0.204 203 L C 2.755 179.610 176.870 -0.024 0.000 1.076 203 L CA 1.313 56.130 54.840 -0.038 0.000 0.753 203 L CB -0.834 41.179 42.059 -0.076 0.000 0.910 203 L HN 0.430 nan 8.230 nan 0.000 0.439 204 Q N 0.198 119.993 119.800 -0.009 0.000 2.197 204 Q HA -0.218 4.121 4.340 -0.001 0.000 0.207 204 Q C 2.362 178.361 176.000 -0.003 0.000 0.984 204 Q CA 1.431 57.232 55.803 -0.003 0.000 0.869 204 Q CB -0.023 28.717 28.738 0.003 0.000 0.906 204 Q HN 0.499 nan 8.270 nan 0.000 0.426 205 L N -0.386 120.835 121.223 -0.003 0.000 2.095 205 L HA -0.154 4.186 4.340 -0.001 0.000 0.204 205 L C 2.085 178.951 176.870 -0.006 0.000 1.080 205 L CA 0.599 55.438 54.840 -0.002 0.000 0.759 205 L CB -0.084 41.974 42.059 -0.001 0.000 0.914 205 L HN 0.276 nan 8.230 nan 0.000 0.439 206 L N -0.668 120.547 121.223 -0.013 0.000 2.027 206 L HA -0.165 4.175 4.340 -0.001 0.000 0.206 206 L C 2.783 179.644 176.870 -0.016 0.000 1.074 206 L CA 1.222 56.051 54.840 -0.018 0.000 0.745 206 L CB -0.667 41.374 42.059 -0.030 0.000 0.898 206 L HN 0.210 nan 8.230 nan 0.000 0.433 207 A N -0.248 122.561 122.820 -0.018 0.000 2.024 207 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 207 A C 2.384 179.966 177.584 -0.003 0.000 1.164 207 A CA 1.335 53.364 52.037 -0.013 0.000 0.643 207 A CB -0.431 18.561 19.000 -0.013 0.000 0.806 207 A HN 0.318 nan 8.150 nan 0.000 0.451 208 R N -0.745 119.755 120.500 0.000 0.000 2.062 208 R HA -0.011 4.329 4.340 -0.001 0.000 0.229 208 R C 2.409 178.713 176.300 0.007 0.000 1.128 208 R CA 1.184 57.288 56.100 0.007 0.000 0.960 208 R CB -0.530 29.776 30.300 0.010 0.000 0.855 208 R HN 0.484 nan 8.270 nan 0.000 0.432 209 A N 1.238 124.060 122.820 0.003 0.000 2.121 209 A HA -0.003 4.316 4.320 -0.001 0.000 0.218 209 A C 2.233 179.818 177.584 0.003 0.000 1.154 209 A CA 1.347 53.387 52.037 0.004 0.000 0.679 209 A CB -0.316 18.684 19.000 0.000 0.000 0.795 209 A HN 0.370 nan 8.150 nan 0.000 0.458 210 A N -0.559 122.261 122.820 0.000 0.000 2.015 210 A HA 0.043 4.363 4.320 -0.001 0.000 0.219 210 A C 0.826 178.413 177.584 0.005 0.000 1.163 210 A CA 0.934 52.971 52.037 -0.000 0.000 0.646 210 A CB -0.427 18.570 19.000 -0.005 0.000 0.806 210 A HN 0.607 nan 8.150 nan 0.000 0.448 211 E N -2.299 117.906 120.200 0.009 0.000 2.222 211 E HA -0.235 4.114 4.350 -0.001 0.000 0.189 211 E C 0.911 177.520 176.600 0.014 0.000 1.415 211 E CA 0.298 56.706 56.400 0.013 0.000 0.689 211 E CB -1.890 27.818 29.700 0.013 0.000 1.107 211 E HN 1.410 nan 8.360 nan 0.000 0.350 212 G N -0.020 108.788 108.800 0.014 0.000 2.320 212 G HA2 -0.379 3.580 3.960 -0.001 0.000 0.242 212 G HA3 -0.379 3.580 3.960 -0.001 0.000 0.242 212 G C 0.311 175.219 174.900 0.013 0.000 1.033 212 G CA 0.324 45.434 45.100 0.017 0.000 0.620 212 G HN 0.788 nan 8.290 nan 0.000 0.517 213 S N 0.683 116.388 115.700 0.009 0.000 2.422 213 S HA 0.558 5.027 4.470 -0.001 0.000 0.298 213 S C 1.321 175.920 174.600 -0.002 0.000 1.118 213 S CA -0.127 58.075 58.200 0.005 0.000 1.083 213 S CB 1.032 64.236 63.200 0.006 0.000 0.971 213 S HN 0.763 nan 8.310 nan 0.000 0.478 214 L N 6.067 127.287 121.223 -0.005 0.000 2.191 214 L HA 0.102 4.441 4.340 -0.001 0.000 0.212 214 L C 2.285 179.150 176.870 -0.008 0.000 1.103 214 L CA 1.606 56.440 54.840 -0.011 0.000 0.769 214 L CB -0.936 41.115 42.059 -0.014 0.000 0.908 214 L HN 0.811 nan 8.230 nan 0.000 0.438 215 R N -0.705 119.795 120.500 -0.001 0.000 2.055 215 R HA -0.134 4.206 4.340 -0.001 0.000 0.228 215 R C 1.868 178.170 176.300 0.002 0.000 1.143 215 R CA 1.464 57.567 56.100 0.005 0.000 0.945 215 R CB -0.246 30.059 30.300 0.009 0.000 0.841 215 R HN 0.230 nan 8.270 nan 0.000 0.429 216 D N 0.492 120.893 120.400 0.002 0.000 2.191 216 D HA -0.244 4.396 4.640 -0.001 0.000 0.190 216 D C 1.657 177.954 176.300 -0.005 0.000 1.007 216 D CA 1.981 55.982 54.000 0.001 0.000 0.865 216 D CB -0.293 40.509 40.800 0.003 0.000 0.929 216 D HN 0.448 nan 8.370 nan 0.000 0.447 217 A N 0.034 122.848 122.820 -0.011 0.000 1.877 217 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 217 A C 2.403 179.970 177.584 -0.029 0.000 1.186 217 A CA 1.032 53.056 52.037 -0.022 0.000 0.620 217 A CB -0.769 18.214 19.000 -0.029 0.000 0.822 217 A HN 0.262 nan 8.150 nan 0.000 0.443 218 L N -0.482 120.726 121.223 -0.026 0.000 2.141 218 L HA -0.125 4.214 4.340 -0.001 0.000 0.209 218 L C 2.740 179.605 176.870 -0.008 0.000 1.094 218 L CA 1.220 56.045 54.840 -0.026 0.000 0.763 218 L CB -0.303 41.751 42.059 -0.008 0.000 0.908 218 L HN 0.310 nan 8.230 nan 0.000 0.437 219 S N -0.163 115.537 115.700 -0.001 0.000 2.402 219 S HA -0.053 4.416 4.470 -0.001 0.000 0.229 219 S C 1.932 176.531 174.600 -0.001 0.000 1.021 219 S CA 0.976 59.178 58.200 0.005 0.000 0.974 219 S CB -0.075 63.129 63.200 0.007 0.000 0.800 219 S HN 0.294 nan 8.310 nan 0.000 0.484 220 L N 0.771 121.989 121.223 -0.008 0.000 2.095 220 L HA -0.058 4.282 4.340 -0.001 0.000 0.204 220 L C 2.593 179.454 176.870 -0.015 0.000 1.080 220 L CA 1.066 55.900 54.840 -0.010 0.000 0.759 220 L CB -1.020 41.032 42.059 -0.012 0.000 0.914 220 L HN 0.284 nan 8.230 nan 0.000 0.439 221 T N -1.127 113.413 114.554 -0.025 0.000 2.708 221 T HA -0.201 4.149 4.350 -0.001 0.000 0.266 221 T C 1.471 176.160 174.700 -0.019 0.000 1.037 221 T CA 1.430 63.510 62.100 -0.034 0.000 1.146 221 T CB -0.265 68.567 68.868 -0.061 0.000 0.865 221 T HN 0.252 nan 8.240 nan 0.000 0.435 222 D N 1.381 121.776 120.400 -0.009 0.000 2.106 222 D HA -0.139 4.501 4.640 -0.001 0.000 0.191 222 D C 2.375 178.677 176.300 0.004 0.000 0.997 222 D CA 1.521 55.524 54.000 0.005 0.000 0.834 222 D CB -0.343 40.467 40.800 0.016 0.000 0.956 222 D HN 0.683 nan 8.370 nan 0.000 0.448 223 Q N -0.042 119.759 119.800 0.002 0.000 2.378 223 Q HA 0.110 4.449 4.340 -0.001 0.000 0.205 223 Q C 1.878 177.877 176.000 -0.001 0.000 0.954 223 Q CA 1.228 57.033 55.803 0.002 0.000 0.901 223 Q CB 0.031 28.770 28.738 0.002 0.000 0.981 223 Q HN 0.124 nan 8.270 nan 0.000 0.483 224 A N 1.632 124.449 122.820 -0.004 0.000 1.873 224 A HA -0.102 4.217 4.320 -0.001 0.000 0.215 224 A C 2.099 179.682 177.584 -0.001 0.000 1.186 224 A CA 1.294 53.328 52.037 -0.005 0.000 0.616 224 A CB -0.666 18.328 19.000 -0.011 0.000 0.823 224 A HN 0.452 nan 8.150 nan 0.000 0.442 225 I N -0.198 120.372 120.570 -0.000 0.000 2.264 225 I HA -0.326 3.843 4.170 -0.001 0.000 0.248 225 I C 2.878 179.000 176.117 0.008 0.000 1.111 225 I CA 1.199 62.502 61.300 0.006 0.000 1.382 225 I CB -0.240 37.765 38.000 0.009 0.000 1.060 225 I HN 0.386 nan 8.210 nan 0.000 0.418 226 A N -0.760 122.064 122.820 0.007 0.000 1.930 226 A HA -0.160 4.160 4.320 -0.001 0.000 0.215 226 A C 2.450 180.037 177.584 0.004 0.000 1.176 226 A CA 1.706 53.747 52.037 0.007 0.000 0.632 226 A CB -0.582 18.422 19.000 0.007 0.000 0.819 226 A HN 0.351 nan 8.150 nan 0.000 0.445 227 S N -0.564 115.137 115.700 0.002 0.000 2.383 227 S HA -0.004 4.465 4.470 -0.001 0.000 0.227 227 S C 1.781 176.380 174.600 -0.001 0.000 1.026 227 S CA 1.519 59.718 58.200 -0.001 0.000 0.981 227 S CB -0.374 62.824 63.200 -0.003 0.000 0.818 227 S HN 0.659 nan 8.310 nan 0.000 0.472 228 G N -0.380 108.421 108.800 0.002 0.000 3.042 228 G HA2 0.137 4.097 3.960 -0.001 0.000 0.212 228 G HA3 0.137 4.097 3.960 -0.001 0.000 0.212 228 G C -0.170 174.733 174.900 0.004 0.000 1.166 228 G CA 0.411 45.512 45.100 0.003 0.000 0.767 228 G HN 0.484 nan 8.290 nan 0.000 0.546 229 D N -0.959 119.444 120.400 0.005 0.000 3.026 229 D HA -0.078 4.561 4.640 -0.001 0.000 0.248 229 D C 1.506 177.812 176.300 0.010 0.000 1.100 229 D CA 1.434 55.438 54.000 0.006 0.000 0.855 229 D CB -1.351 39.451 40.800 0.004 0.000 1.011 229 D HN 0.978 nan 8.370 nan 0.000 0.423 230 G N 1.072 109.880 108.800 0.014 0.000 2.220 230 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.269 230 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.269 230 G C 0.334 175.247 174.900 0.023 0.000 0.977 230 G CA 0.918 46.029 45.100 0.020 0.000 0.634 230 G HN 0.610 nan 8.290 nan 0.000 0.539 231 Q N -0.555 119.256 119.800 0.018 0.000 2.309 231 Q HA 0.567 4.907 4.340 -0.001 0.000 0.264 231 Q C -0.370 175.644 176.000 0.024 0.000 1.008 231 Q CA -0.747 55.069 55.803 0.022 0.000 0.853 231 Q CB 2.571 31.316 28.738 0.013 0.000 1.314 231 Q HN 0.135 nan 8.270 nan 0.000 0.448 232 V N 2.867 122.805 119.914 0.040 0.000 2.221 232 V HA 0.127 4.246 4.120 -0.001 0.000 0.258 232 V C -0.037 176.080 176.094 0.039 0.000 1.179 232 V CA -0.313 62.008 62.300 0.035 0.000 1.022 232 V CB -0.111 31.734 31.823 0.037 0.000 1.228 232 V HN 0.725 nan 8.190 nan 0.000 0.487 233 S N 1.682 117.394 115.700 0.020 0.000 2.578 233 S HA 0.312 4.781 4.470 -0.001 0.000 0.283 233 S C 1.229 175.833 174.600 0.008 0.000 1.195 233 S CA -0.324 57.884 58.200 0.013 0.000 1.050 233 S CB 1.615 64.817 63.200 0.004 0.000 1.012 233 S HN 0.483 nan 8.310 nan 0.000 0.511 234 T N 2.185 116.743 114.554 0.007 0.000 2.665 234 T HA -0.160 4.189 4.350 -0.001 0.000 0.268 234 T C 1.919 176.617 174.700 -0.002 0.000 1.035 234 T CA 1.669 63.771 62.100 0.003 0.000 1.151 234 T CB -0.392 68.478 68.868 0.002 0.000 0.862 234 T HN 0.634 nan 8.240 nan 0.000 0.438 235 Q N 0.791 120.589 119.800 -0.004 0.000 2.096 235 Q HA -0.052 4.287 4.340 -0.001 0.000 0.204 235 Q C 2.726 178.721 176.000 -0.008 0.000 0.982 235 Q CA 1.636 57.435 55.803 -0.008 0.000 0.850 235 Q CB -0.646 28.087 28.738 -0.009 0.000 0.901 235 Q HN 0.616 nan 8.270 nan 0.000 0.422 236 A N 0.525 123.342 122.820 -0.005 0.000 1.898 236 A HA -0.089 4.231 4.320 -0.001 0.000 0.216 236 A C 2.463 180.043 177.584 -0.006 0.000 1.181 236 A CA 1.383 53.417 52.037 -0.005 0.000 0.620 236 A CB -0.561 18.438 19.000 -0.002 0.000 0.819 236 A HN 0.200 nan 8.150 nan 0.000 0.442 237 V N 0.983 120.894 119.914 -0.004 0.000 2.358 237 V HA -0.210 3.910 4.120 -0.001 0.000 0.246 237 V C 2.784 178.873 176.094 -0.008 0.000 1.047 237 V CA 2.306 64.603 62.300 -0.006 0.000 1.035 237 V CB -0.938 30.883 31.823 -0.005 0.000 0.658 237 V HN 0.708 nan 8.190 nan 0.000 0.452 238 S N 0.657 116.352 115.700 -0.008 0.000 2.461 238 S HA 0.067 4.537 4.470 -0.001 0.000 0.228 238 S C 2.054 176.644 174.600 -0.016 0.000 1.005 238 S CA 0.816 59.010 58.200 -0.011 0.000 0.942 238 S CB -0.298 62.896 63.200 -0.010 0.000 0.776 238 S HN 0.554 nan 8.310 nan 0.000 0.514 239 A N 3.805 126.615 122.820 -0.017 0.000 1.829 239 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 239 A C 2.250 179.822 177.584 -0.020 0.000 1.207 239 A CA 1.935 53.960 52.037 -0.021 0.000 0.622 239 A CB -1.164 17.825 19.000 -0.018 0.000 0.846 239 A HN 0.577 nan 8.150 nan 0.000 0.447 240 M N -0.719 118.872 119.600 -0.015 0.000 2.192 240 M HA -0.171 4.308 4.480 -0.001 0.000 0.256 240 M C 1.451 177.743 176.300 -0.013 0.000 1.076 240 M CA 1.948 57.241 55.300 -0.013 0.000 1.075 240 M CB -0.347 32.247 32.600 -0.009 0.000 1.368 240 M HN 0.392 nan 8.290 nan 0.000 0.406 241 L N -0.505 120.710 121.223 -0.012 0.000 2.509 241 L HA 0.179 4.518 4.340 -0.001 0.000 0.222 241 L C 1.701 178.564 176.870 -0.011 0.000 1.123 241 L CA 0.571 55.405 54.840 -0.009 0.000 0.856 241 L CB -0.234 41.821 42.059 -0.006 0.000 0.985 241 L HN 0.740 nan 8.230 nan 0.000 0.456 242 G N -0.145 108.644 108.800 -0.019 0.000 2.205 242 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.261 242 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.261 242 G C 0.450 175.337 174.900 -0.022 0.000 0.980 242 G CA 0.437 45.522 45.100 -0.025 0.000 0.632 242 G HN 0.297 nan 8.290 nan 0.000 0.533 243 T N 2.211 116.756 114.554 -0.015 0.000 2.930 243 T HA 0.500 4.850 4.350 -0.001 0.000 0.306 243 T C 0.370 175.059 174.700 -0.019 0.000 1.045 243 T CA 0.476 62.570 62.100 -0.010 0.000 1.134 243 T CB 1.147 70.012 68.868 -0.005 0.000 0.961 243 T HN 0.688 nan 8.240 nan 0.000 0.545 244 L N 1.281 122.494 121.223 -0.017 0.000 2.331 244 L HA 0.601 4.941 4.340 -0.001 0.000 0.275 244 L C 0.061 176.926 176.870 -0.009 0.000 1.022 244 L CA -1.152 53.676 54.840 -0.020 0.000 0.812 244 L CB 0.104 42.147 42.059 -0.028 0.000 1.257 244 L HN 0.308 nan 8.230 nan 0.000 0.435 245 D N 1.181 121.575 120.400 -0.009 0.000 2.417 245 D HA 0.012 4.652 4.640 -0.001 0.000 0.250 245 D C 0.828 177.128 176.300 -0.000 0.000 1.166 245 D CA 0.230 54.227 54.000 -0.004 0.000 0.881 245 D CB 0.889 41.686 40.800 -0.005 0.000 1.164 245 D HN 0.569 nan 8.370 nan 0.000 0.467 246 D N 2.068 122.470 120.400 0.003 0.000 2.218 246 D HA -0.248 4.391 4.640 -0.001 0.000 0.194 246 D C 1.367 177.672 176.300 0.007 0.000 1.007 246 D CA 1.127 55.132 54.000 0.007 0.000 0.879 246 D CB 0.067 40.872 40.800 0.009 0.000 0.918 246 D HN 0.591 nan 8.370 nan 0.000 0.449 247 D N 0.310 120.713 120.400 0.005 0.000 2.242 247 D HA -0.267 4.373 4.640 -0.001 0.000 0.193 247 D C 1.956 178.260 176.300 0.007 0.000 1.005 247 D CA 2.434 56.437 54.000 0.005 0.000 0.856 247 D CB -0.405 40.396 40.800 0.002 0.000 1.001 247 D HN 0.201 nan 8.370 nan 0.000 0.452 248 Q N -0.186 119.618 119.800 0.007 0.000 2.224 248 Q HA -0.299 4.041 4.340 -0.001 0.000 0.213 248 Q C 1.886 177.898 176.000 0.020 0.000 0.998 248 Q CA 2.652 58.462 55.803 0.012 0.000 0.895 248 Q CB -0.554 28.189 28.738 0.009 0.000 0.926 248 Q HN 0.389 nan 8.270 nan 0.000 0.417 249 A N 0.373 123.206 122.820 0.020 0.000 1.841 249 A HA -0.188 4.132 4.320 -0.001 0.000 0.216 249 A C 2.014 179.612 177.584 0.024 0.000 1.199 249 A CA 1.543 53.598 52.037 0.029 0.000 0.621 249 A CB -1.129 17.888 19.000 0.028 0.000 0.835 249 A HN 0.508 nan 8.150 nan 0.000 0.445 250 L N 0.366 121.599 121.223 0.016 0.000 1.989 250 L HA -0.151 4.188 4.340 -0.001 0.000 0.211 250 L C 2.523 179.393 176.870 -0.001 0.000 1.071 250 L CA 2.672 57.516 54.840 0.007 0.000 0.749 250 L CB -1.061 41.001 42.059 0.005 0.000 0.890 250 L HN 0.350 nan 8.230 nan 0.000 0.431 251 S N -0.567 115.134 115.700 0.002 0.000 2.413 251 S HA -0.211 4.258 4.470 -0.001 0.000 0.237 251 S C 1.784 176.381 174.600 -0.004 0.000 1.044 251 S CA 1.595 59.794 58.200 -0.001 0.000 1.024 251 S CB -0.503 62.700 63.200 0.004 0.000 0.829 251 S HN 0.384 nan 8.310 nan 0.000 0.475 252 L N 1.292 122.518 121.223 0.003 0.000 2.068 252 L HA 0.062 4.402 4.340 -0.001 0.000 0.204 252 L C 2.211 179.066 176.870 -0.024 0.000 1.076 252 L CA 1.259 56.101 54.840 0.003 0.000 0.753 252 L CB -1.114 40.962 42.059 0.030 0.000 0.910 252 L HN 0.125 nan 8.230 nan 0.000 0.439 253 V N 0.303 120.200 119.914 -0.028 0.000 2.215 253 V HA -0.379 3.740 4.120 -0.001 0.000 0.249 253 V C 2.432 178.462 176.094 -0.106 0.000 1.054 253 V CA 2.194 64.450 62.300 -0.073 0.000 1.012 253 V CB -0.911 30.882 31.823 -0.050 0.000 0.639 253 V HN 0.487 nan 8.190 nan 0.000 0.448 254 E N 0.682 120.841 120.200 -0.068 0.000 2.119 254 E HA -0.389 3.961 4.350 -0.001 0.000 0.221 254 E C 2.273 178.835 176.600 -0.064 0.000 1.062 254 E CA 1.854 58.220 56.400 -0.057 0.000 0.894 254 E CB -0.628 29.054 29.700 -0.030 0.000 0.785 254 E HN 0.614 nan 8.360 nan 0.000 0.472 255 A N 1.356 124.145 122.820 -0.051 0.000 1.948 255 A HA -0.241 4.078 4.320 -0.001 0.000 0.220 255 A C 2.157 179.690 177.584 -0.084 0.000 1.177 255 A CA 2.054 54.060 52.037 -0.052 0.000 0.636 255 A CB -0.614 18.366 19.000 -0.034 0.000 0.815 255 A HN 0.377 nan 8.150 nan 0.000 0.449 256 M N 0.382 119.918 119.600 -0.107 0.000 2.098 256 M HA -0.121 4.359 4.480 -0.001 0.000 0.262 256 M C 2.130 178.310 176.300 -0.200 0.000 1.072 256 M CA 2.413 57.625 55.300 -0.146 0.000 1.133 256 M CB -0.361 32.159 32.600 -0.135 0.000 1.344 256 M HN 0.389 nan 8.290 nan 0.000 0.414 257 V N -1.256 118.512 119.914 -0.244 0.000 2.392 257 V HA -0.214 3.906 4.120 -0.001 0.000 0.249 257 V C 1.446 177.597 176.094 0.094 0.000 1.059 257 V CA 2.136 64.377 62.300 -0.098 0.000 1.051 257 V CB -1.480 30.247 31.823 -0.160 0.000 0.658 257 V HN 0.570 nan 8.190 nan 0.000 0.455 258 E N 0.729 120.917 120.200 -0.019 0.000 2.511 258 E HA 0.334 4.683 4.350 -0.001 0.000 0.196 258 E C 1.586 178.150 176.600 -0.059 0.000 1.066 258 E CA 0.571 56.972 56.400 0.002 0.000 0.871 258 E CB -0.192 29.501 29.700 -0.011 0.000 0.863 258 E HN 0.849 nan 8.360 nan 0.000 0.520 259 A N 1.564 124.240 122.820 -0.241 0.000 3.420 259 A HA -0.263 4.057 4.320 -0.001 0.000 0.269 259 A C 0.704 178.179 177.584 -0.182 0.000 1.122 259 A CA 1.004 52.792 52.037 -0.415 0.000 1.023 259 A CB -2.043 16.776 19.000 -0.301 0.000 1.099 259 A HN 0.409 nan 8.150 nan 0.000 0.860 260 N N 0.869 119.503 118.700 -0.110 0.000 2.406 260 N HA 0.356 5.095 4.740 -0.001 0.000 0.265 260 N C 1.233 176.705 175.510 -0.063 0.000 1.203 260 N CA 1.041 54.052 53.050 -0.064 0.000 0.945 260 N CB 0.475 38.938 38.487 -0.040 0.000 1.165 260 N HN 0.459 nan 8.380 nan 0.000 0.485 261 G N 3.412 112.180 108.800 -0.053 0.000 2.404 261 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.214 261 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.214 261 G C 1.082 175.965 174.900 -0.027 0.000 1.189 261 G CA 0.322 45.397 45.100 -0.042 0.000 0.789 261 G HN 0.690 nan 8.290 nan 0.000 0.533 262 E N 0.078 120.265 120.200 -0.021 0.000 2.055 262 E HA -0.303 4.047 4.350 -0.001 0.000 0.209 262 E C 2.478 179.072 176.600 -0.009 0.000 1.036 262 E CA 1.506 57.898 56.400 -0.013 0.000 0.849 262 E CB -0.234 29.460 29.700 -0.010 0.000 0.767 262 E HN 0.356 nan 8.360 nan 0.000 0.461 263 R N 0.756 121.249 120.500 -0.012 0.000 2.096 263 R HA -0.188 4.152 4.340 -0.001 0.000 0.240 263 R C 2.366 178.664 176.300 -0.004 0.000 1.139 263 R CA 1.610 57.706 56.100 -0.007 0.000 0.952 263 R CB -0.370 29.923 30.300 -0.012 0.000 0.854 263 R HN 0.039 nan 8.270 nan 0.000 0.436 264 V N 0.886 120.792 119.914 -0.014 0.000 2.231 264 V HA -0.341 3.779 4.120 -0.001 0.000 0.248 264 V C 2.462 178.558 176.094 0.004 0.000 1.054 264 V CA 2.022 64.317 62.300 -0.009 0.000 1.015 264 V CB -0.376 31.433 31.823 -0.023 0.000 0.638 264 V HN 0.399 nan 8.190 nan 0.000 0.444 265 M N -0.507 119.091 119.600 -0.003 0.000 2.159 265 M HA -0.107 4.373 4.480 -0.001 0.000 0.263 265 M C 2.392 178.704 176.300 0.020 0.000 1.063 265 M CA 2.101 57.402 55.300 0.000 0.000 1.110 265 M CB -1.678 30.916 32.600 -0.010 0.000 1.374 265 M HN 0.417 nan 8.290 nan 0.000 0.411 266 A N 0.724 123.554 122.820 0.017 0.000 1.851 266 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 266 A C 2.325 179.934 177.584 0.041 0.000 1.195 266 A CA 1.624 53.676 52.037 0.025 0.000 0.622 266 A CB -1.189 17.820 19.000 0.016 0.000 0.831 266 A HN 0.461 nan 8.150 nan 0.000 0.444 267 L N -0.680 120.566 121.223 0.037 0.000 2.189 267 L HA -0.224 4.115 4.340 -0.001 0.000 0.214 267 L C 2.428 179.352 176.870 0.089 0.000 1.097 267 L CA 1.173 56.043 54.840 0.049 0.000 0.764 267 L CB -0.360 41.721 42.059 0.037 0.000 0.900 267 L HN 0.454 nan 8.230 nan 0.000 0.436 268 I N -0.985 119.648 120.570 0.105 0.000 2.277 268 I HA -0.245 3.924 4.170 -0.001 0.000 0.243 268 I C 2.343 178.614 176.117 0.255 0.000 1.094 268 I CA 0.710 62.126 61.300 0.194 0.000 1.393 268 I CB -0.339 37.716 38.000 0.090 0.000 1.078 268 I HN 0.314 nan 8.210 nan 0.000 0.417 269 N N 1.230 120.019 118.700 0.147 0.000 2.061 269 N HA -0.288 4.452 4.740 -0.001 0.000 0.193 269 N C 1.799 177.378 175.510 0.116 0.000 1.030 269 N CA 1.870 54.999 53.050 0.132 0.000 0.856 269 N CB -0.150 38.381 38.487 0.073 0.000 1.023 269 N HN 0.429 nan 8.380 nan 0.000 0.424 270 E N -0.149 120.101 120.200 0.083 0.000 2.110 270 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 270 E C 1.698 178.320 176.600 0.035 0.000 0.988 270 E CA 1.096 57.526 56.400 0.049 0.000 0.804 270 E CB -0.125 29.596 29.700 0.035 0.000 0.745 270 E HN 0.375 nan 8.360 nan 0.000 0.458 271 A N 1.127 123.982 122.820 0.059 0.000 1.969 271 A HA 0.034 4.353 4.320 -0.001 0.000 0.218 271 A C 2.359 179.878 177.584 -0.109 0.000 1.169 271 A CA 1.439 53.469 52.037 -0.011 0.000 0.635 271 A CB -0.535 18.492 19.000 0.046 0.000 0.810 271 A HN 0.414 nan 8.150 nan 0.000 0.445 272 A N -0.246 122.596 122.820 0.037 0.000 1.968 272 A HA 0.276 4.596 4.320 -0.001 0.000 0.217 272 A C 2.396 179.979 177.584 -0.002 0.000 1.169 272 A CA 1.619 53.682 52.037 0.043 0.000 0.638 272 A CB -0.741 18.485 19.000 0.378 0.000 0.812 272 A HN 0.923 nan 8.150 nan 0.000 0.446 273 A N 0.168 122.996 122.820 0.013 0.000 1.930 273 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 273 A C 2.104 179.666 177.584 -0.037 0.000 1.175 273 A CA 1.247 53.282 52.037 -0.002 0.000 0.627 273 A CB -0.371 18.634 19.000 0.009 0.000 0.815 273 A HN 0.522 nan 8.150 nan 0.000 0.443 274 R N -0.833 119.630 120.500 -0.061 0.000 2.313 274 R HA 0.149 4.489 4.340 -0.001 0.000 0.199 274 R C 1.203 177.426 176.300 -0.130 0.000 0.958 274 R CA 0.418 56.469 56.100 -0.082 0.000 1.047 274 R CB -0.318 29.935 30.300 -0.079 0.000 0.955 274 R HN 0.609 nan 8.270 nan 0.000 0.481 275 G N 2.963 111.663 108.800 -0.167 0.000 2.321 275 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.287 275 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.287 275 G C 0.402 175.105 174.900 -0.328 0.000 1.018 275 G CA 0.656 45.618 45.100 -0.229 0.000 0.855 275 G HN 0.583 nan 8.290 nan 0.000 0.507 276 I N -2.356 117.976 120.570 -0.398 0.000 2.872 276 I HA 0.452 4.622 4.170 -0.001 0.000 0.291 276 I C 0.417 176.199 176.117 -0.558 0.000 1.216 276 I CA -0.486 60.583 61.300 -0.384 0.000 1.424 276 I CB 0.531 38.338 38.000 -0.322 0.000 1.351 276 I HN 0.262 nan 8.210 nan 0.000 0.592 277 E N 4.690 124.687 120.200 -0.338 0.000 2.223 277 E HA 0.109 4.458 4.350 -0.001 0.000 0.282 277 E C -0.326 176.166 176.600 -0.181 0.000 1.046 277 E CA -0.275 55.954 56.400 -0.286 0.000 0.857 277 E CB 0.568 30.194 29.700 -0.123 0.000 1.055 277 E HN 0.714 nan 8.360 nan 0.000 0.409 278 W N 2.388 123.686 121.300 -0.003 0.000 2.318 278 W HA -0.241 4.418 4.660 -0.001 0.000 0.313 278 W C 2.227 178.745 176.519 -0.002 0.000 1.221 278 W CA 1.294 58.638 57.345 -0.002 0.000 1.266 278 W CB 0.008 29.466 29.460 -0.002 0.000 1.150 278 W HN 0.699 nan 8.180 nan 0.000 0.496 279 E N 0.645 120.971 120.200 0.210 0.000 2.097 279 E HA -0.272 4.078 4.350 -0.001 0.000 0.196 279 E C 2.217 178.875 176.600 0.097 0.000 1.000 279 E CA 1.797 58.273 56.400 0.126 0.000 0.804 279 E CB -0.352 29.392 29.700 0.072 0.000 0.740 279 E HN 0.174 nan 8.360 nan 0.000 0.454 280 A N 0.877 123.738 122.820 0.068 0.000 1.883 280 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 280 A C 2.152 179.770 177.584 0.058 0.000 1.186 280 A CA 1.586 53.647 52.037 0.039 0.000 0.624 280 A CB -0.849 18.151 19.000 -0.000 0.000 0.822 280 A HN 0.414 nan 8.150 nan 0.000 0.444 281 L N -0.257 121.018 121.223 0.088 0.000 1.955 281 L HA -0.157 4.182 4.340 -0.001 0.000 0.213 281 L C 2.348 179.286 176.870 0.114 0.000 1.072 281 L CA 1.991 56.898 54.840 0.113 0.000 0.755 281 L CB -0.715 41.473 42.059 0.214 0.000 0.888 281 L HN 0.434 nan 8.230 nan 0.000 0.432 282 L N -1.242 120.061 121.223 0.134 0.000 2.085 282 L HA -0.350 3.990 4.340 -0.001 0.000 0.218 282 L C 2.347 179.262 176.870 0.075 0.000 1.080 282 L CA 1.807 56.704 54.840 0.095 0.000 0.776 282 L CB -0.504 41.605 42.059 0.083 0.000 0.891 282 L HN 0.258 nan 8.230 nan 0.000 0.437 283 V N -1.049 118.907 119.914 0.069 0.000 2.379 283 V HA -0.201 3.919 4.120 -0.001 0.000 0.245 283 V C 2.337 178.473 176.094 0.070 0.000 1.044 283 V CA 1.468 63.804 62.300 0.061 0.000 1.036 283 V CB -0.452 31.399 31.823 0.047 0.000 0.664 283 V HN 0.422 nan 8.190 nan 0.000 0.453 284 E N -0.182 120.056 120.200 0.063 0.000 2.160 284 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 284 E C 2.199 178.844 176.600 0.075 0.000 0.991 284 E CA 1.459 57.896 56.400 0.062 0.000 0.810 284 E CB -0.196 29.533 29.700 0.047 0.000 0.742 284 E HN 0.556 nan 8.360 nan 0.000 0.466 285 M N 0.074 119.722 119.600 0.080 0.000 2.132 285 M HA -0.149 4.330 4.480 -0.001 0.000 0.263 285 M C 2.384 178.760 176.300 0.126 0.000 1.065 285 M CA 1.172 56.523 55.300 0.086 0.000 1.122 285 M CB -0.270 32.377 32.600 0.079 0.000 1.365 285 M HN 0.084 nan 8.290 nan 0.000 0.411 286 L N -0.445 120.863 121.223 0.142 0.000 2.083 286 L HA -0.108 4.231 4.340 -0.001 0.000 0.209 286 L C 2.665 179.687 176.870 0.254 0.000 1.083 286 L CA 1.359 56.339 54.840 0.233 0.000 0.752 286 L CB -1.147 41.010 42.059 0.163 0.000 0.899 286 L HN 0.373 nan 8.230 nan 0.000 0.433 287 G N -0.124 108.776 108.800 0.167 0.000 2.421 287 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.216 287 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.216 287 G C 1.622 176.613 174.900 0.151 0.000 1.171 287 G CA 0.673 45.866 45.100 0.156 0.000 0.775 287 G HN 0.218 nan 8.290 nan 0.000 0.543 288 L N -0.112 121.178 121.223 0.112 0.000 1.994 288 L HA -0.013 4.326 4.340 -0.001 0.000 0.208 288 L C 2.981 179.900 176.870 0.081 0.000 1.071 288 L CA 0.645 55.532 54.840 0.077 0.000 0.745 288 L CB -0.500 41.591 42.059 0.054 0.000 0.892 288 L HN 0.184 nan 8.230 nan 0.000 0.431 289 L N -0.889 120.407 121.223 0.122 0.000 2.021 289 L HA -0.344 3.996 4.340 -0.001 0.000 0.215 289 L C 2.758 179.674 176.870 0.078 0.000 1.074 289 L CA 1.656 56.573 54.840 0.130 0.000 0.760 289 L CB -0.914 41.290 42.059 0.240 0.000 0.889 289 L HN 0.439 nan 8.230 nan 0.000 0.433 290 H N 0.365 119.427 119.070 -0.015 0.000 2.321 290 H HA -0.207 4.348 4.556 -0.001 0.000 0.300 290 H C 2.505 177.788 175.328 -0.074 0.000 1.087 290 H CA 1.970 57.938 56.048 -0.133 0.000 1.319 290 H CB 0.206 29.902 29.762 -0.110 0.000 1.379 290 H HN 0.178 nan 8.280 nan 0.000 0.501 291 R N 0.393 120.812 120.500 -0.135 0.000 2.081 291 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 291 R C 2.724 178.929 176.300 -0.158 0.000 1.131 291 R CA 1.407 57.392 56.100 -0.192 0.000 0.960 291 R CB -0.157 30.109 30.300 -0.057 0.000 0.856 291 R HN 0.359 nan 8.270 nan 0.000 0.436 292 I N 0.288 120.808 120.570 -0.084 0.000 2.091 292 I HA -0.323 3.847 4.170 -0.001 0.000 0.239 292 I C 2.401 178.469 176.117 -0.081 0.000 1.061 292 I CA 1.574 62.840 61.300 -0.056 0.000 1.317 292 I CB -0.524 37.468 38.000 -0.012 0.000 1.031 292 I HN 0.322 nan 8.210 nan 0.000 0.401 293 A N -0.241 122.518 122.820 -0.100 0.000 2.024 293 A HA -0.265 4.055 4.320 -0.001 0.000 0.220 293 A C 2.193 179.689 177.584 -0.147 0.000 1.164 293 A CA 1.875 53.849 52.037 -0.104 0.000 0.643 293 A CB -0.515 18.415 19.000 -0.117 0.000 0.806 293 A HN 0.403 nan 8.150 nan 0.000 0.451 294 M N -1.097 118.362 119.600 -0.235 0.000 2.193 294 M HA 0.007 4.487 4.480 -0.001 0.000 0.265 294 M C 1.942 178.166 176.300 -0.128 0.000 1.071 294 M CA 1.128 56.295 55.300 -0.221 0.000 1.140 294 M CB -0.270 32.129 32.600 -0.336 0.000 1.369 294 M HN 0.120 nan 8.290 nan 0.000 0.423 295 V N 0.599 120.447 119.914 -0.110 0.000 2.380 295 V HA -0.359 3.761 4.120 -0.001 0.000 0.251 295 V C 2.193 178.257 176.094 -0.051 0.000 1.063 295 V CA 1.989 64.248 62.300 -0.067 0.000 1.055 295 V CB -0.901 30.891 31.823 -0.051 0.000 0.657 295 V HN 0.566 nan 8.190 nan 0.000 0.455 296 Q N -1.117 118.652 119.800 -0.051 0.000 2.124 296 Q HA -0.173 4.166 4.340 -0.001 0.000 0.202 296 Q C 2.272 178.250 176.000 -0.036 0.000 0.977 296 Q CA 1.294 57.075 55.803 -0.036 0.000 0.850 296 Q CB -0.200 28.520 28.738 -0.031 0.000 0.901 296 Q HN 0.494 nan 8.270 nan 0.000 0.429 297 L N 0.058 121.252 121.223 -0.048 0.000 1.938 297 L HA 0.008 4.348 4.340 -0.001 0.000 0.212 297 L C 1.027 177.878 176.870 -0.033 0.000 1.085 297 L CA 1.295 56.111 54.840 -0.040 0.000 0.760 297 L CB -0.487 41.544 42.059 -0.047 0.000 0.888 297 L HN 0.093 nan 8.230 nan 0.000 0.433 298 S N -1.025 114.653 115.700 -0.037 0.000 2.509 298 S HA 0.398 4.868 4.470 -0.001 0.000 0.297 298 S C -1.809 172.773 174.600 -0.031 0.000 1.118 298 S CA -1.475 56.707 58.200 -0.029 0.000 1.074 298 S CB 1.630 64.814 63.200 -0.026 0.000 1.038 298 S HN 0.076 nan 8.310 nan 0.000 0.498 299 P HA 0.211 nan 4.420 nan 0.000 0.220 299 P C 0.842 178.130 177.300 -0.020 0.000 1.154 299 P CA 0.510 63.597 63.100 -0.022 0.000 0.830 299 P CB -0.045 31.645 31.700 -0.016 0.000 0.803 300 A N 0.007 122.817 122.820 -0.017 0.000 2.264 300 A HA 0.175 4.494 4.320 -0.001 0.000 0.207 300 A C 2.063 179.637 177.584 -0.017 0.000 1.196 300 A CA 1.193 53.222 52.037 -0.014 0.000 0.778 300 A CB -1.373 17.621 19.000 -0.011 0.000 0.779 300 A HN 0.192 nan 8.150 nan 0.000 0.483 301 A N -0.479 122.326 122.820 -0.025 0.000 2.016 301 A HA 0.237 4.557 4.320 -0.001 0.000 0.217 301 A C 1.105 178.668 177.584 -0.034 0.000 1.162 301 A CA 0.258 52.275 52.037 -0.033 0.000 0.662 301 A CB -0.431 18.540 19.000 -0.049 0.000 0.812 301 A HN 0.676 nan 8.150 nan 0.000 0.450 302 L N 1.108 122.312 121.223 -0.032 0.000 2.540 302 L HA 0.377 4.717 4.340 -0.001 0.000 0.276 302 L C 0.913 177.774 176.870 -0.016 0.000 1.212 302 L CA -0.101 54.722 54.840 -0.028 0.000 0.893 302 L CB 0.270 42.315 42.059 -0.023 0.000 1.138 302 L HN 0.279 nan 8.230 nan 0.000 0.491 303 G N 3.165 111.959 108.800 -0.012 0.000 2.474 303 G HA2 -0.147 3.813 3.960 -0.001 0.000 0.233 303 G HA3 -0.147 3.813 3.960 -0.001 0.000 0.233 303 G C 0.731 175.632 174.900 0.001 0.000 1.278 303 G CA -0.090 45.009 45.100 -0.002 0.000 0.861 303 G HN 0.905 nan 8.290 nan 0.000 0.567 304 N N 1.113 119.815 118.700 0.004 0.000 2.166 304 N HA -0.148 4.591 4.740 -0.001 0.000 0.186 304 N C 1.879 177.393 175.510 0.006 0.000 1.019 304 N CA 1.643 54.696 53.050 0.005 0.000 0.856 304 N CB -0.086 38.406 38.487 0.008 0.000 0.993 304 N HN 0.687 nan 8.380 nan 0.000 0.426 305 D N 0.386 120.791 120.400 0.008 0.000 2.219 305 D HA -0.178 4.462 4.640 -0.001 0.000 0.205 305 D C 1.358 177.662 176.300 0.007 0.000 0.970 305 D CA 0.797 54.802 54.000 0.008 0.000 0.851 305 D CB -0.618 40.188 40.800 0.010 0.000 0.943 305 D HN 0.535 nan 8.370 nan 0.000 0.488 306 M N -1.908 117.696 119.600 0.006 0.000 3.007 306 M HA 0.706 5.185 4.480 -0.001 0.000 0.288 306 M C 1.264 177.566 176.300 0.003 0.000 1.246 306 M CA -0.541 54.763 55.300 0.006 0.000 1.040 306 M CB 1.125 33.730 32.600 0.007 0.000 1.254 306 M HN -0.089 nan 8.290 nan 0.000 0.517 307 A N 1.600 124.422 122.820 0.003 0.000 1.873 307 A HA -0.068 4.251 4.320 -0.001 0.000 0.218 307 A C 2.314 179.899 177.584 0.002 0.000 1.193 307 A CA 2.301 54.340 52.037 0.002 0.000 0.629 307 A CB -0.875 18.127 19.000 0.003 0.000 0.826 307 A HN 0.811 nan 8.150 nan 0.000 0.447 308 A N -1.676 121.146 122.820 0.002 0.000 2.285 308 A HA 0.104 4.423 4.320 -0.001 0.000 0.214 308 A C 1.568 179.153 177.584 0.002 0.000 1.188 308 A CA 1.556 53.594 52.037 0.002 0.000 0.707 308 A CB -0.480 18.521 19.000 0.002 0.000 0.771 308 A HN 0.566 nan 8.150 nan 0.000 0.488 309 I N -3.122 117.450 120.570 0.002 0.000 4.827 309 I HA 0.003 4.172 4.170 -0.001 0.000 0.362 309 I C 1.715 177.832 176.117 0.000 0.000 1.237 309 I CA 0.397 61.699 61.300 0.002 0.000 1.366 309 I CB 0.117 38.120 38.000 0.003 0.000 1.742 309 I HN 0.446 nan 8.210 nan 0.000 0.588 310 E N 2.282 122.482 120.200 -0.000 0.000 2.070 310 E HA -0.263 4.087 4.350 -0.001 0.000 0.197 310 E C 2.255 178.854 176.600 -0.002 0.000 1.004 310 E CA 1.607 58.006 56.400 -0.002 0.000 0.805 310 E CB 0.097 29.796 29.700 -0.002 0.000 0.744 310 E HN 0.439 nan 8.360 nan 0.000 0.451 311 L N 0.708 121.931 121.223 -0.001 0.000 2.010 311 L HA -0.287 4.052 4.340 -0.001 0.000 0.219 311 L C 2.818 179.687 176.870 -0.001 0.000 1.077 311 L CA 2.058 56.897 54.840 -0.001 0.000 0.773 311 L CB -0.389 41.670 42.059 -0.000 0.000 0.892 311 L HN 0.262 nan 8.230 nan 0.000 0.436 312 R N -1.275 119.224 120.500 -0.001 0.000 2.073 312 R HA -0.123 4.217 4.340 -0.001 0.000 0.229 312 R C 2.324 178.622 176.300 -0.002 0.000 1.120 312 R CA 1.139 57.239 56.100 -0.001 0.000 0.967 312 R CB -0.027 30.272 30.300 -0.001 0.000 0.862 312 R HN 0.349 nan 8.270 nan 0.000 0.436 313 M N 0.338 119.936 119.600 -0.003 0.000 2.084 313 M HA -0.194 4.285 4.480 -0.001 0.000 0.259 313 M C 2.140 178.437 176.300 -0.005 0.000 1.072 313 M CA 1.645 56.942 55.300 -0.004 0.000 1.107 313 M CB -0.945 31.652 32.600 -0.005 0.000 1.299 313 M HN 0.089 nan 8.290 nan 0.000 0.413 314 R N 0.210 120.706 120.500 -0.006 0.000 2.134 314 R HA -0.244 4.095 4.340 -0.001 0.000 0.248 314 R C 2.051 178.349 176.300 -0.002 0.000 1.143 314 R CA 2.102 58.198 56.100 -0.006 0.000 0.957 314 R CB -0.877 29.420 30.300 -0.005 0.000 0.867 314 R HN 0.422 nan 8.270 nan 0.000 0.441 315 E N 0.891 121.091 120.200 -0.000 0.000 2.023 315 E HA -0.158 4.192 4.350 -0.001 0.000 0.196 315 E C 2.146 178.749 176.600 0.006 0.000 1.003 315 E CA 1.318 57.720 56.400 0.003 0.000 0.809 315 E CB -0.421 29.281 29.700 0.003 0.000 0.755 315 E HN 0.262 nan 8.360 nan 0.000 0.449 316 L N -0.067 121.158 121.223 0.004 0.000 2.051 316 L HA -0.286 4.053 4.340 -0.001 0.000 0.214 316 L C 2.482 179.360 176.870 0.014 0.000 1.076 316 L CA 1.582 56.427 54.840 0.008 0.000 0.758 316 L CB -0.570 41.489 42.059 0.000 0.000 0.890 316 L HN 0.274 nan 8.230 nan 0.000 0.433 317 A N -0.505 122.318 122.820 0.006 0.000 2.015 317 A HA -0.205 4.114 4.320 -0.001 0.000 0.219 317 A C 2.411 179.998 177.584 0.006 0.000 1.163 317 A CA 1.585 53.624 52.037 0.003 0.000 0.646 317 A CB -0.504 18.490 19.000 -0.010 0.000 0.806 317 A HN 0.435 nan 8.150 nan 0.000 0.448 318 R N -0.270 120.233 120.500 0.006 0.000 2.080 318 R HA -0.086 4.254 4.340 -0.001 0.000 0.222 318 R C 2.193 178.501 176.300 0.013 0.000 1.107 318 R CA 2.014 58.118 56.100 0.007 0.000 0.980 318 R CB -0.410 29.893 30.300 0.005 0.000 0.879 318 R HN 0.555 nan 8.270 nan 0.000 0.439 319 T N -1.448 113.117 114.554 0.019 0.000 3.009 319 T HA 0.222 4.572 4.350 -0.001 0.000 0.258 319 T C 1.110 175.832 174.700 0.037 0.000 1.063 319 T CA 0.054 62.169 62.100 0.025 0.000 1.139 319 T CB -0.008 68.876 68.868 0.025 0.000 0.890 319 T HN 0.086 nan 8.240 nan 0.000 0.471 320 I N 2.886 123.484 120.570 0.047 0.000 2.331 320 I HA 0.394 4.564 4.170 -0.001 0.000 0.292 320 I C -2.662 173.493 176.117 0.064 0.000 0.998 320 I CA -2.958 58.387 61.300 0.074 0.000 1.267 320 I CB 1.156 39.224 38.000 0.114 0.000 1.386 320 I HN -0.084 nan 8.210 nan 0.000 0.476 321 P HA 0.059 nan 4.420 nan 0.000 0.262 321 P C -2.075 175.246 177.300 0.036 0.000 1.182 321 P CA -0.790 62.328 63.100 0.031 0.000 0.761 321 P CB 0.076 31.785 31.700 0.015 0.000 0.795 322 P HA -0.219 nan 4.420 nan 0.000 0.215 322 P C 1.552 178.861 177.300 0.016 0.000 1.157 322 P CA 2.097 65.208 63.100 0.019 0.000 0.874 322 P CB -0.581 31.122 31.700 0.004 0.000 0.790 323 T N -4.073 110.481 114.554 -0.000 0.000 2.946 323 T HA -0.154 4.196 4.350 -0.001 0.000 0.271 323 T C 1.429 176.105 174.700 -0.040 0.000 1.104 323 T CA 1.436 63.527 62.100 -0.015 0.000 1.114 323 T CB -0.887 67.968 68.868 -0.022 0.000 0.867 323 T HN -0.036 nan 8.240 nan 0.000 0.513 324 D N 0.924 121.304 120.400 -0.032 0.000 2.149 324 D HA 0.202 4.842 4.640 -0.001 0.000 0.206 324 D C 2.025 178.276 176.300 -0.081 0.000 0.967 324 D CA 0.509 54.450 54.000 -0.098 0.000 0.848 324 D CB -0.213 40.584 40.800 -0.005 0.000 0.998 324 D HN 0.436 nan 8.370 nan 0.000 0.474 325 I N 0.992 121.633 120.570 0.119 0.000 2.226 325 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 325 I C 2.192 178.416 176.117 0.177 0.000 1.100 325 I CA 0.776 62.230 61.300 0.257 0.000 1.374 325 I CB -0.169 37.940 38.000 0.182 0.000 1.057 325 I HN -0.053 nan 8.210 nan 0.000 0.413 326 Q N 0.225 120.078 119.800 0.088 0.000 2.268 326 Q HA -0.238 4.102 4.340 -0.001 0.000 0.210 326 Q C 2.147 178.191 176.000 0.073 0.000 0.988 326 Q CA 1.510 57.371 55.803 0.098 0.000 0.883 326 Q CB -0.600 28.165 28.738 0.045 0.000 0.911 326 Q HN 0.427 nan 8.270 nan 0.000 0.430 327 L N -0.391 120.802 121.223 -0.051 0.000 1.982 327 L HA -0.150 4.190 4.340 -0.001 0.000 0.206 327 L C 2.011 178.840 176.870 -0.067 0.000 1.078 327 L CA 1.776 56.526 54.840 -0.150 0.000 0.749 327 L CB -1.303 40.539 42.059 -0.361 0.000 0.894 327 L HN 0.073 nan 8.230 nan 0.000 0.436 328 Y N -1.245 119.121 120.300 0.110 0.000 2.151 328 Y HA -0.332 4.218 4.550 -0.001 0.000 0.284 328 Y C 2.595 178.573 175.900 0.130 0.000 1.166 328 Y CA 2.259 60.430 58.100 0.118 0.000 1.163 328 Y CB -1.520 37.017 38.460 0.129 0.000 0.974 328 Y HN 0.358 nan 8.280 nan 0.000 0.511 329 Y N 1.081 121.493 120.300 0.187 0.000 2.070 329 Y HA -0.346 4.203 4.550 -0.001 0.000 0.280 329 Y C 2.682 178.624 175.900 0.070 0.000 1.148 329 Y CA 2.188 60.360 58.100 0.120 0.000 1.125 329 Y CB -0.767 37.758 38.460 0.107 0.000 0.975 329 Y HN 0.119 nan 8.280 nan 0.000 0.492 330 Q N -0.184 119.628 119.800 0.020 0.000 2.135 330 Q HA -0.148 4.192 4.340 -0.001 0.000 0.204 330 Q C 2.073 178.009 176.000 -0.106 0.000 0.981 330 Q CA 2.595 58.339 55.803 -0.099 0.000 0.856 330 Q CB -0.596 28.135 28.738 -0.012 0.000 0.902 330 Q HN 0.562 nan 8.270 nan 0.000 0.425 331 T N 0.149 114.680 114.554 -0.039 0.000 2.812 331 T HA -0.012 4.338 4.350 -0.001 0.000 0.264 331 T C 1.602 176.292 174.700 -0.017 0.000 1.042 331 T CA 1.000 63.085 62.100 -0.024 0.000 1.140 331 T CB -0.102 68.788 68.868 0.037 0.000 0.870 331 T HN 0.217 nan 8.240 nan 0.000 0.445 332 L N 0.258 121.478 121.223 -0.006 0.000 2.217 332 L HA 0.092 4.431 4.340 -0.001 0.000 0.211 332 L C 2.349 179.168 176.870 -0.084 0.000 1.107 332 L CA 0.567 55.399 54.840 -0.015 0.000 0.783 332 L CB -0.433 41.642 42.059 0.026 0.000 0.919 332 L HN 0.226 nan 8.230 nan 0.000 0.442 333 L N 0.940 122.050 121.223 -0.188 0.000 2.023 333 L HA -0.157 4.183 4.340 -0.001 0.000 0.205 333 L C 2.343 179.134 176.870 -0.132 0.000 1.073 333 L CA 1.610 56.304 54.840 -0.242 0.000 0.745 333 L CB -0.221 41.569 42.059 -0.449 0.000 0.900 333 L HN 0.268 nan 8.230 nan 0.000 0.435 334 I N -1.940 118.565 120.570 -0.109 0.000 2.916 334 I HA 0.087 4.257 4.170 -0.001 0.000 0.267 334 I C 2.023 178.118 176.117 -0.037 0.000 1.263 334 I CA 1.299 62.559 61.300 -0.066 0.000 1.471 334 I CB -1.159 36.801 38.000 -0.068 0.000 1.089 334 I HN 0.135 nan 8.210 nan 0.000 0.468 335 G N 0.800 109.578 108.800 -0.038 0.000 2.394 335 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.214 335 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.214 335 G C 1.830 176.729 174.900 -0.001 0.000 1.176 335 G CA 0.545 45.638 45.100 -0.013 0.000 0.786 335 G HN 0.397 nan 8.290 nan 0.000 0.533 336 R N 0.393 120.885 120.500 -0.012 0.000 2.083 336 R HA -0.053 4.287 4.340 -0.001 0.000 0.237 336 R C 2.491 178.803 176.300 0.019 0.000 1.137 336 R CA 1.630 57.731 56.100 0.001 0.000 0.951 336 R CB -0.281 30.009 30.300 -0.016 0.000 0.851 336 R HN 0.262 nan 8.270 nan 0.000 0.434 337 K N 0.150 120.558 120.400 0.013 0.000 2.286 337 K HA -0.188 4.131 4.320 -0.001 0.000 0.203 337 K C 1.524 178.194 176.600 0.117 0.000 1.045 337 K CA 1.722 58.038 56.287 0.049 0.000 0.935 337 K CB 0.126 32.636 32.500 0.017 0.000 0.737 337 K HN 0.346 nan 8.250 nan 0.000 0.460 338 E N -0.259 119.997 120.200 0.093 0.000 2.166 338 E HA -0.087 4.262 4.350 -0.001 0.000 0.192 338 E C 1.772 178.463 176.600 0.152 0.000 0.967 338 E CA 0.055 56.543 56.400 0.146 0.000 0.840 338 E CB 0.048 29.789 29.700 0.069 0.000 0.795 338 E HN 0.081 nan 8.360 nan 0.000 0.470 339 L N 2.014 123.276 121.223 0.064 0.000 2.085 339 L HA -0.210 4.129 4.340 -0.001 0.000 0.218 339 L C -1.000 175.858 176.870 -0.020 0.000 1.080 339 L CA 2.183 57.036 54.840 0.023 0.000 0.776 339 L CB -1.039 41.033 42.059 0.020 0.000 0.891 339 L HN 0.041 nan 8.230 nan 0.000 0.437 340 P HA -0.236 nan 4.420 nan 0.000 0.217 340 P C 0.998 178.056 177.300 -0.403 0.000 1.162 340 P CA 2.074 64.957 63.100 -0.362 0.000 0.901 340 P CB -0.172 31.096 31.700 -0.720 0.000 0.793 341 Y N -1.792 118.507 120.300 -0.001 0.000 2.509 341 Y HA 0.410 4.959 4.550 -0.001 0.000 0.270 341 Y C 1.525 177.421 175.900 -0.007 0.000 1.103 341 Y CA -0.298 57.801 58.100 -0.003 0.000 1.278 341 Y CB -1.063 37.394 38.460 -0.005 0.000 1.087 341 Y HN -0.179 nan 8.280 nan 0.000 0.542 342 A N 3.079 125.977 122.820 0.130 0.000 2.586 342 A HA -0.024 4.296 4.320 -0.001 0.000 0.231 342 A C -0.928 176.675 177.584 0.031 0.000 1.055 342 A CA -0.668 51.404 52.037 0.058 0.000 0.756 342 A CB -0.257 18.755 19.000 0.019 0.000 0.988 342 A HN 0.223 nan 8.150 nan 0.000 0.509 343 P HA -0.098 nan 4.420 nan 0.000 0.220 343 P C 0.025 177.328 177.300 0.004 0.000 1.144 343 P CA 1.753 64.860 63.100 0.012 0.000 0.800 343 P CB 0.072 31.774 31.700 0.003 0.000 0.772 344 D N -1.854 118.541 120.400 -0.009 0.000 2.633 344 D HA 0.085 4.724 4.640 -0.001 0.000 0.198 344 D C 0.826 177.100 176.300 -0.044 0.000 1.273 344 D CA -0.512 53.482 54.000 -0.011 0.000 0.830 344 D CB 0.852 41.640 40.800 -0.019 0.000 1.771 344 D HN -0.290 nan 8.370 nan 0.000 0.547 345 R N 1.906 122.410 120.500 0.007 0.000 2.105 345 R HA -0.141 4.198 4.340 -0.001 0.000 0.239 345 R C 2.108 178.229 176.300 -0.300 0.000 1.135 345 R CA 1.567 57.670 56.100 0.005 0.000 0.967 345 R CB 0.051 30.462 30.300 0.185 0.000 0.861 345 R HN 0.438 nan 8.270 nan 0.000 0.442 346 R N 1.070 121.239 120.500 -0.552 0.000 2.109 346 R HA -0.171 4.168 4.340 -0.001 0.000 0.227 346 R C 2.245 178.115 176.300 -0.717 0.000 1.132 346 R CA 1.986 57.282 56.100 -1.341 0.000 0.907 346 R CB -0.486 29.459 30.300 -0.592 0.000 0.825 346 R HN 0.064 nan 8.270 nan 0.000 0.432 347 M N 0.070 119.453 119.600 -0.361 0.000 2.345 347 M HA -0.282 4.197 4.480 -0.001 0.000 0.253 347 M C 2.130 178.301 176.300 -0.215 0.000 1.068 347 M CA 2.584 57.751 55.300 -0.222 0.000 1.069 347 M CB -0.772 31.758 32.600 -0.118 0.000 1.292 347 M HN 0.598 nan 8.290 nan 0.000 0.430 348 G N -1.283 107.402 108.800 -0.191 0.000 2.446 348 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.217 348 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.217 348 G C 1.312 176.127 174.900 -0.141 0.000 1.168 348 G CA 1.170 46.196 45.100 -0.123 0.000 0.771 348 G HN 0.424 nan 8.290 nan 0.000 0.551 349 V N 0.498 120.270 119.914 -0.237 0.000 2.237 349 V HA -0.185 3.934 4.120 -0.001 0.000 0.245 349 V C 2.634 178.617 176.094 -0.186 0.000 1.046 349 V CA 2.344 64.527 62.300 -0.195 0.000 1.007 349 V CB -0.647 31.032 31.823 -0.241 0.000 0.638 349 V HN 0.472 nan 8.190 nan 0.000 0.445 350 E N -0.755 119.272 120.200 -0.288 0.000 2.055 350 E HA -0.369 3.981 4.350 -0.001 0.000 0.209 350 E C 2.159 178.697 176.600 -0.104 0.000 1.036 350 E CA 2.232 58.514 56.400 -0.196 0.000 0.849 350 E CB -0.302 29.265 29.700 -0.221 0.000 0.767 350 E HN 0.383 nan 8.360 nan 0.000 0.461 351 M N 0.435 119.976 119.600 -0.098 0.000 2.143 351 M HA -0.180 4.300 4.480 -0.001 0.000 0.258 351 M C 2.090 178.381 176.300 -0.015 0.000 1.071 351 M CA 1.788 57.059 55.300 -0.047 0.000 1.088 351 M CB -0.499 32.074 32.600 -0.045 0.000 1.360 351 M HN 0.012 nan 8.290 nan 0.000 0.404 352 T N 0.261 114.800 114.554 -0.024 0.000 2.821 352 T HA -0.040 4.309 4.350 -0.001 0.000 0.267 352 T C 1.730 176.451 174.700 0.035 0.000 1.046 352 T CA 1.386 63.491 62.100 0.008 0.000 1.139 352 T CB -0.226 68.641 68.868 -0.001 0.000 0.871 352 T HN 0.401 nan 8.240 nan 0.000 0.454 353 L N 0.353 121.585 121.223 0.016 0.000 2.240 353 L HA 0.114 4.454 4.340 -0.001 0.000 0.211 353 L C 2.322 179.218 176.870 0.044 0.000 1.106 353 L CA 0.595 55.457 54.840 0.037 0.000 0.793 353 L CB -0.469 41.595 42.059 0.009 0.000 0.927 353 L HN 0.246 nan 8.230 nan 0.000 0.446 354 L N -0.376 120.861 121.223 0.023 0.000 2.093 354 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 354 L C 2.826 179.738 176.870 0.070 0.000 1.085 354 L CA 1.153 56.008 54.840 0.025 0.000 0.755 354 L CB -0.510 41.550 42.059 0.003 0.000 0.904 354 L HN 0.303 nan 8.230 nan 0.000 0.435 355 R N 0.344 120.906 120.500 0.104 0.000 2.083 355 R HA -0.197 4.143 4.340 -0.001 0.000 0.237 355 R C 2.333 178.804 176.300 0.285 0.000 1.137 355 R CA 1.499 57.722 56.100 0.206 0.000 0.951 355 R CB -0.271 30.130 30.300 0.169 0.000 0.851 355 R HN 0.323 nan 8.270 nan 0.000 0.434 356 A N 1.635 124.582 122.820 0.211 0.000 1.862 356 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 356 A C 2.205 179.941 177.584 0.253 0.000 1.251 356 A CA 2.115 54.306 52.037 0.257 0.000 0.673 356 A CB -1.217 17.928 19.000 0.241 0.000 0.843 356 A HN 0.403 nan 8.150 nan 0.000 0.458 357 L N -1.186 120.124 121.223 0.144 0.000 2.054 357 L HA -0.364 3.976 4.340 -0.001 0.000 0.220 357 L C 3.005 179.921 176.870 0.076 0.000 1.081 357 L CA 1.784 56.666 54.840 0.071 0.000 0.780 357 L CB -0.782 41.278 42.059 0.002 0.000 0.893 357 L HN 0.560 nan 8.230 nan 0.000 0.438 358 A N -0.914 121.918 122.820 0.020 0.000 1.968 358 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 358 A C 1.761 179.149 177.584 -0.326 0.000 1.169 358 A CA 1.228 53.161 52.037 -0.173 0.000 0.638 358 A CB -0.521 18.303 19.000 -0.293 0.000 0.812 358 A HN 0.397 nan 8.150 nan 0.000 0.446 359 F N -0.751 119.239 119.950 0.066 0.000 2.693 359 F HA 0.162 4.688 4.527 -0.001 0.000 0.303 359 F C 1.021 176.852 175.800 0.053 0.000 1.097 359 F CA -0.434 57.589 58.000 0.039 0.000 1.330 359 F CB -0.257 38.748 39.000 0.008 0.000 1.067 359 F HN 0.294 nan 8.300 nan 0.000 0.565 360 H N 3.164 122.306 119.070 0.119 0.000 3.167 360 H HA -0.062 4.494 4.556 -0.001 0.000 0.306 360 H C -1.681 173.683 175.328 0.060 0.000 0.965 360 H CA -0.723 55.390 56.048 0.108 0.000 1.408 360 H CB 1.174 31.009 29.762 0.122 0.000 1.406 360 H HN 0.012 nan 8.280 nan 0.000 0.576 361 P HA -0.106 nan 4.420 nan 0.000 0.218 361 P C 1.184 178.331 177.300 -0.254 0.000 1.149 361 P CA 1.099 64.037 63.100 -0.270 0.000 0.817 361 P CB 0.399 31.921 31.700 -0.297 0.000 0.785 362 R N -1.705 118.524 120.500 -0.452 0.000 2.221 362 R HA 0.343 4.682 4.340 -0.001 0.000 0.195 362 R C 0.876 177.203 176.300 0.045 0.000 0.956 362 R CA 0.697 56.707 56.100 -0.150 0.000 1.064 362 R CB -0.175 30.070 30.300 -0.092 0.000 1.049 362 R HN 0.301 nan 8.270 nan 0.000 0.534 363 M N 1.194 120.950 119.600 0.259 0.000 2.542 363 M HA 0.318 4.797 4.480 -0.001 0.000 0.273 363 M C -2.566 173.887 176.300 0.255 0.000 1.296 363 M CA -1.643 53.798 55.300 0.236 0.000 0.631 363 M CB 2.204 34.925 32.600 0.202 0.000 1.747 363 M HN -0.282 nan 8.290 nan 0.000 0.378 364 P HA -0.014 nan 4.420 nan 0.000 0.272 364 P C -0.389 176.936 177.300 0.042 0.000 1.239 364 P CA -0.401 62.758 63.100 0.098 0.000 0.807 364 P CB 0.512 32.219 31.700 0.012 0.000 0.951 365 L N 1.615 122.833 121.223 -0.009 0.000 2.436 365 L HA 0.312 4.652 4.340 -0.001 0.000 0.265 365 L C -1.914 174.933 176.870 -0.037 0.000 1.168 365 L CA -1.628 53.194 54.840 -0.029 0.000 0.815 365 L CB -1.037 40.990 42.059 -0.053 0.000 1.109 365 L HN 0.310 nan 8.230 nan 0.000 0.462 366 P HA 0.212 nan 4.420 nan 0.000 0.271 366 P C -0.985 176.294 177.300 -0.035 0.000 1.216 366 P CA -0.270 62.814 63.100 -0.026 0.000 0.771 366 P CB 0.598 32.287 31.700 -0.018 0.000 0.864 367 E N 2.643 122.823 120.200 -0.034 0.000 2.250 367 E HA 0.412 4.761 4.350 -0.001 0.000 0.265 367 E C -1.587 174.997 176.600 -0.026 0.000 1.033 367 E CA -1.681 54.697 56.400 -0.037 0.000 0.888 367 E CB 0.004 29.680 29.700 -0.039 0.000 1.151 367 E HN 0.357 nan 8.360 nan 0.000 0.412 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 368 P CB 0.000 31.690 31.700 -0.017 0.000 0.726