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 3glf_1_B DATA FIRST_RESID 5 DATA SEQUENCE VLARKWRPQT FADVVGQEHV LTALANGLSL GRIHHAYLFS GTRGVGKTSI DATA SEQUENCE ARLLAKGLNC ETGITATPCG VCDNCREIEQ GRFVDLIEID AASRTKVEDT DATA SEQUENCE RDLLDNVQYA PARGRFKVYL IDEVHMLSRH SFNALLKTLE EPPEHVKFLL DATA SEQUENCE ATTDPQKLPV TILSRCLQFH LKALDVEQIR HQLEHILNEE HIAHEPRALQ DATA SEQUENCE LLARAAEGSL RDALSLTDQA IASGDGQVST QAVSAMLGTL DDDQALSLVE DATA SEQUENCE AMVEANGERV MALINEAAAR GIEWEALLVE MLGLLHRIAM VQLSPAALGN DATA SEQUENCE DMAAIELRMR ELARTIPPTD IQLYYQTLLI GRKELPYAPD RRMGVEMTLL DATA SEQUENCE RALAFHPRMP LPEP 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 5 V HA 0.000 nan 4.120 nan 0.000 0.244 5 V C 0.000 176.147 176.094 0.089 0.000 1.182 5 V CA 0.000 62.332 62.300 0.053 0.000 1.235 5 V CB 0.000 31.845 31.823 0.037 0.000 1.184 6 L N 1.781 123.071 121.223 0.113 0.000 2.044 6 L HA -0.086 4.253 4.340 -0.001 0.000 0.205 6 L C 2.671 179.650 176.870 0.182 0.000 1.075 6 L CA 2.167 57.126 54.840 0.199 0.000 0.747 6 L CB -0.470 41.667 42.059 0.131 0.000 0.903 6 L HN 1.033 nan 8.230 nan 0.000 0.435 7 A N 0.568 123.445 122.820 0.094 0.000 1.929 7 A HA -0.303 4.016 4.320 -0.001 0.000 0.221 7 A C 2.366 179.991 177.584 0.068 0.000 1.211 7 A CA 2.287 54.365 52.037 0.067 0.000 0.657 7 A CB -0.602 18.419 19.000 0.035 0.000 0.827 7 A HN 0.411 nan 8.150 nan 0.000 0.462 8 R N -1.184 119.349 120.500 0.054 0.000 2.062 8 R HA -0.014 4.325 4.340 -0.001 0.000 0.226 8 R C 2.458 178.760 176.300 0.004 0.000 1.125 8 R CA 1.199 57.312 56.100 0.022 0.000 0.966 8 R CB -0.335 29.968 30.300 0.006 0.000 0.861 8 R HN 0.609 nan 8.270 nan 0.000 0.433 9 K N 0.378 120.782 120.400 0.007 0.000 2.026 9 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 9 K C 0.864 177.314 176.600 -0.249 0.000 1.048 9 K CA 1.390 57.591 56.287 -0.142 0.000 0.929 9 K CB -0.018 32.372 32.500 -0.184 0.000 0.713 9 K HN 0.175 nan 8.250 nan 0.000 0.439 10 W N 2.147 123.422 121.300 -0.041 0.000 3.447 10 W HA 0.175 4.834 4.660 -0.001 0.000 0.348 10 W C 0.183 176.658 176.519 -0.073 0.000 1.220 10 W CA -0.610 56.698 57.345 -0.062 0.000 1.809 10 W CB 0.119 29.535 29.460 -0.073 0.000 1.040 10 W HN -0.020 nan 8.180 nan 0.000 0.735 11 R N 2.474 123.012 120.500 0.063 0.000 2.421 11 R HA 0.095 4.434 4.340 -0.001 0.000 0.305 11 R C -2.281 174.011 176.300 -0.013 0.000 1.039 11 R CA -1.553 54.556 56.100 0.014 0.000 1.003 11 R CB 0.364 30.652 30.300 -0.020 0.000 0.959 11 R HN -0.165 nan 8.270 nan 0.000 0.427 12 P HA 0.008 nan 4.420 nan 0.000 0.267 12 P C -0.539 176.742 177.300 -0.031 0.000 1.205 12 P CA 0.074 63.163 63.100 -0.019 0.000 0.765 12 P CB 0.881 32.555 31.700 -0.044 0.000 0.828 13 Q N 0.245 120.032 119.800 -0.022 0.000 2.246 13 Q HA 0.152 4.491 4.340 -0.001 0.000 0.222 13 Q C 0.056 176.066 176.000 0.016 0.000 0.851 13 Q CA 0.602 56.392 55.803 -0.021 0.000 0.945 13 Q CB 0.448 29.160 28.738 -0.045 0.000 1.122 13 Q HN 0.402 nan 8.270 nan 0.000 0.508 14 T N -0.290 114.291 114.554 0.046 0.000 2.908 14 T HA 0.411 4.760 4.350 -0.001 0.000 0.290 14 T C 0.596 175.417 174.700 0.202 0.000 1.034 14 T CA -0.627 61.535 62.100 0.103 0.000 1.010 14 T CB 1.068 69.972 68.868 0.061 0.000 1.068 14 T HN -0.055 nan 8.240 nan 0.000 0.481 15 F N 1.127 121.041 119.950 -0.060 0.000 2.134 15 F HA -0.110 4.417 4.527 -0.001 0.000 0.299 15 F C 2.821 178.592 175.800 -0.049 0.000 1.097 15 F CA 0.997 58.959 58.000 -0.064 0.000 1.264 15 F CB -0.197 38.765 39.000 -0.064 0.000 1.001 15 F HN 0.747 nan 8.300 nan 0.000 0.479 16 A N 0.289 123.204 122.820 0.159 0.000 1.940 16 A HA -0.313 4.006 4.320 -0.001 0.000 0.221 16 A C 1.661 179.266 177.584 0.036 0.000 1.190 16 A CA 2.442 54.524 52.037 0.076 0.000 0.647 16 A CB -0.980 18.061 19.000 0.068 0.000 0.821 16 A HN 0.335 nan 8.150 nan 0.000 0.457 17 D N -0.874 119.546 120.400 0.035 0.000 2.309 17 D HA 0.041 4.680 4.640 -0.001 0.000 0.212 17 D C 0.490 176.769 176.300 -0.035 0.000 0.968 17 D CA 0.393 54.399 54.000 0.011 0.000 0.882 17 D CB -0.305 40.508 40.800 0.022 0.000 0.918 17 D HN 0.213 nan 8.370 nan 0.000 0.503 18 V N 1.207 121.077 119.914 -0.073 0.000 2.583 18 V HA 0.067 4.186 4.120 -0.001 0.000 0.287 18 V C 0.459 176.489 176.094 -0.107 0.000 1.051 18 V CA -0.600 61.627 62.300 -0.123 0.000 1.010 18 V CB 1.909 33.594 31.823 -0.230 0.000 0.988 18 V HN -0.190 nan 8.190 nan 0.000 0.478 19 V N 6.106 125.961 119.914 -0.099 0.000 2.488 19 V HA 0.555 4.674 4.120 -0.001 0.000 0.277 19 V C 1.155 177.199 176.094 -0.084 0.000 1.046 19 V CA 0.931 63.180 62.300 -0.086 0.000 0.986 19 V CB 0.115 31.895 31.823 -0.072 0.000 0.989 19 V HN 1.287 nan 8.190 nan 0.000 0.475 20 G N 4.170 112.927 108.800 -0.071 0.000 2.578 20 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.284 20 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.284 20 G C 0.145 175.005 174.900 -0.067 0.000 1.283 20 G CA 0.361 45.434 45.100 -0.045 0.000 0.944 20 G HN 1.039 nan 8.290 nan 0.000 0.558 21 Q N -1.698 118.085 119.800 -0.029 0.000 2.506 21 Q HA -0.174 4.165 4.340 -0.001 0.000 0.268 21 Q C 1.193 177.042 176.000 -0.253 0.000 1.002 21 Q CA 1.980 57.701 55.803 -0.136 0.000 1.052 21 Q CB -1.839 26.791 28.738 -0.179 0.000 1.383 21 Q HN 0.956 nan 8.270 nan 0.000 0.537 22 E N -0.362 119.799 120.200 -0.064 0.000 2.358 22 E HA -0.099 4.250 4.350 -0.001 0.000 0.195 22 E C 1.568 178.147 176.600 -0.034 0.000 1.010 22 E CA 1.036 57.408 56.400 -0.048 0.000 0.856 22 E CB -0.060 29.654 29.700 0.022 0.000 0.795 22 E HN 0.673 nan 8.360 nan 0.000 0.504 23 H N -1.108 117.977 119.070 0.026 0.000 2.539 23 H HA 0.155 4.710 4.556 -0.001 0.000 0.267 23 H C 1.540 176.922 175.328 0.090 0.000 0.982 23 H CA 0.292 56.380 56.048 0.067 0.000 1.146 23 H CB 0.113 29.925 29.762 0.084 0.000 1.382 23 H HN 0.019 nan 8.280 nan 0.000 0.577 24 V N 0.956 120.569 119.914 -0.501 0.000 2.627 24 V HA -0.063 4.056 4.120 -0.001 0.000 0.239 24 V C 2.751 178.646 176.094 -0.331 0.000 1.077 24 V CA 0.344 62.401 62.300 -0.405 0.000 1.103 24 V CB -0.153 31.415 31.823 -0.425 0.000 0.802 24 V HN 0.191 nan 8.190 nan 0.000 0.482 25 L N 0.090 121.144 121.223 -0.282 0.000 2.012 25 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 25 L C 2.583 179.454 176.870 0.000 0.000 1.073 25 L CA 2.195 56.923 54.840 -0.186 0.000 0.748 25 L CB -1.173 40.737 42.059 -0.249 0.000 0.891 25 L HN 0.351 nan 8.230 nan 0.000 0.431 26 T N -0.174 114.382 114.554 0.003 0.000 2.803 26 T HA -0.161 4.188 4.350 -0.001 0.000 0.269 26 T C 1.906 176.653 174.700 0.080 0.000 1.052 26 T CA 1.365 63.500 62.100 0.060 0.000 1.136 26 T CB -0.164 68.741 68.868 0.063 0.000 0.864 26 T HN 0.475 nan 8.240 nan 0.000 0.467 27 A N 0.645 123.506 122.820 0.070 0.000 1.970 27 A HA 0.196 4.515 4.320 -0.001 0.000 0.216 27 A C 2.241 179.901 177.584 0.127 0.000 1.170 27 A CA 0.625 52.743 52.037 0.136 0.000 0.645 27 A CB -0.499 18.659 19.000 0.262 0.000 0.816 27 A HN 0.419 nan 8.150 nan 0.000 0.447 28 L N -0.671 120.566 121.223 0.023 0.000 1.961 28 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 28 L C 3.157 180.105 176.870 0.131 0.000 1.072 28 L CA 1.208 56.102 54.840 0.089 0.000 0.749 28 L CB -0.955 41.145 42.059 0.069 0.000 0.889 28 L HN 0.438 nan 8.230 nan 0.000 0.432 29 A N 0.796 123.711 122.820 0.158 0.000 1.893 29 A HA -0.354 3.966 4.320 -0.001 0.000 0.222 29 A C 2.008 179.631 177.584 0.067 0.000 1.309 29 A CA 2.769 54.861 52.037 0.091 0.000 0.681 29 A CB -1.107 17.963 19.000 0.117 0.000 0.842 29 A HN 0.523 nan 8.150 nan 0.000 0.468 30 N N -0.234 118.519 118.700 0.088 0.000 2.104 30 N HA -0.110 4.629 4.740 -0.001 0.000 0.190 30 N C 1.790 177.362 175.510 0.104 0.000 1.024 30 N CA 1.631 54.733 53.050 0.086 0.000 0.853 30 N CB -0.937 37.606 38.487 0.093 0.000 1.008 30 N HN 0.551 nan 8.380 nan 0.000 0.424 31 G N 0.814 109.702 108.800 0.146 0.000 2.422 31 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.218 31 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.218 31 G C 1.657 176.645 174.900 0.146 0.000 1.146 31 G CA 0.456 45.668 45.100 0.188 0.000 0.769 31 G HN 0.213 nan 8.290 nan 0.000 0.547 32 L N 0.571 121.857 121.223 0.104 0.000 1.948 32 L HA -0.121 4.219 4.340 -0.001 0.000 0.212 32 L C 3.048 179.949 176.870 0.051 0.000 1.074 32 L CA 1.518 56.394 54.840 0.059 0.000 0.753 32 L CB -0.935 41.120 42.059 -0.006 0.000 0.888 32 L HN 0.350 nan 8.230 nan 0.000 0.432 33 S N 0.335 116.054 115.700 0.031 0.000 2.407 33 S HA -0.257 4.212 4.470 -0.001 0.000 0.244 33 S C 1.496 176.122 174.600 0.043 0.000 1.077 33 S CA 1.922 60.139 58.200 0.029 0.000 1.159 33 S CB -0.492 62.724 63.200 0.026 0.000 1.045 33 S HN 0.342 nan 8.310 nan 0.000 0.438 34 L N 0.821 122.079 121.223 0.059 0.000 2.783 34 L HA 0.369 4.708 4.340 -0.001 0.000 0.236 34 L C 1.520 178.429 176.870 0.065 0.000 1.225 34 L CA 0.183 55.058 54.840 0.058 0.000 1.026 34 L CB -0.399 41.696 42.059 0.060 0.000 1.314 34 L HN 0.602 nan 8.230 nan 0.000 0.489 35 G N 0.957 109.802 108.800 0.075 0.000 2.166 35 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.260 35 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.260 35 G C 0.484 175.437 174.900 0.087 0.000 0.986 35 G CA -0.036 45.113 45.100 0.083 0.000 0.683 35 G HN 0.501 nan 8.290 nan 0.000 0.527 36 R N 0.522 121.083 120.500 0.101 0.000 3.070 36 R HA 0.335 4.674 4.340 -0.001 0.000 0.252 36 R C 0.205 176.604 176.300 0.165 0.000 1.370 36 R CA -0.406 55.741 56.100 0.079 0.000 1.482 36 R CB 0.266 30.616 30.300 0.084 0.000 1.220 36 R HN 0.281 nan 8.270 nan 0.000 0.622 37 I N 2.608 123.278 120.570 0.166 0.000 2.312 37 I HA 0.228 4.397 4.170 -0.001 0.000 0.290 37 I C 0.363 176.670 176.117 0.317 0.000 1.008 37 I CA -1.022 60.475 61.300 0.328 0.000 1.226 37 I CB 0.549 38.654 38.000 0.175 0.000 1.371 37 I HN 0.339 nan 8.210 nan 0.000 0.468 38 H N 4.193 123.439 119.070 0.292 0.000 2.671 38 H HA 0.140 4.695 4.556 -0.002 0.000 0.372 38 H C 1.103 176.580 175.328 0.247 0.000 1.227 38 H CA -0.230 55.910 56.048 0.153 0.000 1.426 38 H CB 0.225 29.854 29.762 -0.221 0.000 1.480 38 H HN 0.592 nan 8.280 nan 0.000 0.611 39 H N -0.565 118.651 119.070 0.243 0.000 2.546 39 H HA 0.451 5.006 4.556 -0.002 0.000 0.277 39 H C -0.077 175.437 175.328 0.310 0.000 1.004 39 H CA 0.367 56.550 56.048 0.224 0.000 1.231 39 H CB 0.437 30.303 29.762 0.173 0.000 1.382 39 H HN 0.541 nan 8.280 nan 0.000 0.580 40 A N 0.398 123.206 122.820 -0.020 0.000 2.512 40 A HA 0.462 4.781 4.320 -0.001 0.000 0.294 40 A C -1.959 175.647 177.584 0.037 0.000 1.054 40 A CA -0.815 51.285 52.037 0.106 0.000 0.756 40 A CB 0.702 19.685 19.000 -0.029 0.000 1.293 40 A HN 0.187 nan 8.150 nan 0.000 0.395 41 Y N 1.018 121.307 120.300 -0.018 0.000 2.446 41 Y HA 0.727 5.276 4.550 -0.001 0.000 0.338 41 Y C -0.162 175.657 175.900 -0.135 0.000 1.055 41 Y CA -1.308 56.722 58.100 -0.116 0.000 1.101 41 Y CB 2.097 40.511 38.460 -0.076 0.000 1.221 41 Y HN 0.659 nan 8.280 nan 0.000 0.460 42 L N 3.739 124.863 121.223 -0.166 0.000 2.349 42 L HA 0.627 4.966 4.340 -0.001 0.000 0.278 42 L C -2.003 174.735 176.870 -0.219 0.000 0.996 42 L CA -0.895 53.887 54.840 -0.097 0.000 0.825 42 L CB 0.353 42.372 42.059 -0.066 0.000 1.243 42 L HN 0.379 nan 8.230 nan 0.000 0.412 43 F N 3.852 123.900 119.950 0.163 0.000 2.388 43 F HA 0.669 5.195 4.527 -0.001 0.000 0.358 43 F C 0.668 176.532 175.800 0.107 0.000 1.122 43 F CA -0.228 57.858 58.000 0.143 0.000 1.056 43 F CB 1.715 40.771 39.000 0.094 0.000 1.155 43 F HN 0.619 nan 8.300 nan 0.000 0.461 44 S N 1.696 117.541 115.700 0.242 0.000 2.677 44 S HA 1.031 5.500 4.470 -0.001 0.000 0.304 44 S C -0.178 174.432 174.600 0.016 0.000 1.108 44 S CA -0.368 57.940 58.200 0.179 0.000 0.944 44 S CB 2.098 65.445 63.200 0.245 0.000 1.127 44 S HN 1.299 nan 8.310 nan 0.000 0.511 45 G N 0.282 109.068 108.800 -0.024 0.000 2.346 45 G HA2 0.339 4.298 3.960 -0.001 0.000 0.294 45 G HA3 0.339 4.298 3.960 -0.001 0.000 0.294 45 G C -0.732 174.152 174.900 -0.026 0.000 1.294 45 G CA -0.340 44.641 45.100 -0.199 0.000 0.962 45 G HN 1.262 nan 8.290 nan 0.000 0.508 46 T N 0.353 114.889 114.554 -0.029 0.000 2.918 46 T HA 0.603 4.953 4.350 -0.001 0.000 0.283 46 T C 0.750 175.452 174.700 0.002 0.000 1.001 46 T CA -0.390 61.713 62.100 0.005 0.000 1.041 46 T CB 1.243 70.116 68.868 0.009 0.000 1.028 46 T HN 1.238 nan 8.240 nan 0.000 0.511 47 R N 0.738 121.244 120.500 0.011 0.000 2.560 47 R HA 0.031 4.370 4.340 -0.001 0.000 0.296 47 R C 0.733 177.032 176.300 -0.001 0.000 0.873 47 R CA 0.866 56.972 56.100 0.010 0.000 1.140 47 R CB -1.786 28.520 30.300 0.011 0.000 0.875 47 R HN 1.504 nan 8.270 nan 0.000 0.419 48 G N 1.974 110.772 108.800 -0.004 0.000 2.256 48 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.272 48 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.272 48 G C 0.110 174.995 174.900 -0.024 0.000 1.076 48 G CA -0.022 45.070 45.100 -0.014 0.000 0.882 48 G HN 0.570 nan 8.290 nan 0.000 0.497 49 V N -1.027 118.867 119.914 -0.032 0.000 3.432 49 V HA 0.585 4.704 4.120 -0.001 0.000 0.298 49 V C 1.851 177.905 176.094 -0.067 0.000 1.464 49 V CA 1.020 63.294 62.300 -0.044 0.000 1.046 49 V CB 0.475 32.273 31.823 -0.042 0.000 0.887 49 V HN 1.989 nan 8.190 nan 0.000 0.441 50 G N 0.560 109.315 108.800 -0.076 0.000 2.164 50 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.154 50 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.154 50 G C 0.760 175.566 174.900 -0.156 0.000 1.014 50 G CA 0.311 45.340 45.100 -0.119 0.000 0.683 50 G HN 0.340 nan 8.290 nan 0.000 0.500 51 K N 0.057 120.399 120.400 -0.097 0.000 1.987 51 K HA -0.136 4.183 4.320 -0.001 0.000 0.216 51 K C 2.904 179.394 176.600 -0.183 0.000 1.051 51 K CA 2.364 58.602 56.287 -0.081 0.000 0.942 51 K CB -0.326 32.193 32.500 0.031 0.000 0.722 51 K HN 0.547 nan 8.250 nan 0.000 0.444 52 T N -1.753 112.733 114.554 -0.113 0.000 2.985 52 T HA 0.020 4.369 4.350 -0.001 0.000 0.266 52 T C 2.044 176.641 174.700 -0.172 0.000 1.076 52 T CA 1.184 63.212 62.100 -0.120 0.000 1.135 52 T CB 0.033 68.872 68.868 -0.048 0.000 0.890 52 T HN -0.039 nan 8.240 nan 0.000 0.480 53 S N 1.566 117.163 115.700 -0.171 0.000 2.356 53 S HA 0.104 4.573 4.470 -0.001 0.000 0.223 53 S C 1.910 176.361 174.600 -0.247 0.000 1.032 53 S CA 1.274 59.372 58.200 -0.170 0.000 1.005 53 S CB -0.427 62.689 63.200 -0.140 0.000 0.867 53 S HN 0.528 nan 8.310 nan 0.000 0.449 54 I N 1.631 121.979 120.570 -0.371 0.000 2.394 54 I HA -0.144 4.025 4.170 -0.001 0.000 0.251 54 I C 2.651 178.435 176.117 -0.555 0.000 1.136 54 I CA 0.793 61.790 61.300 -0.504 0.000 1.425 54 I CB -0.551 37.066 38.000 -0.639 0.000 1.079 54 I HN 0.245 nan 8.210 nan 0.000 0.425 55 A N 1.343 123.793 122.820 -0.617 0.000 1.883 55 A HA -0.215 4.104 4.320 -0.001 0.000 0.217 55 A C 2.398 179.853 177.584 -0.216 0.000 1.186 55 A CA 1.550 53.319 52.037 -0.448 0.000 0.624 55 A CB -0.565 18.279 19.000 -0.259 0.000 0.822 55 A HN 0.334 nan 8.150 nan 0.000 0.444 56 R N -0.545 119.851 120.500 -0.174 0.000 2.148 56 R HA 0.033 4.372 4.340 -0.001 0.000 0.227 56 R C 1.930 178.178 176.300 -0.087 0.000 1.103 56 R CA 1.034 57.068 56.100 -0.111 0.000 0.983 56 R CB -0.385 29.859 30.300 -0.093 0.000 0.874 56 R HN 0.522 nan 8.270 nan 0.000 0.451 57 L N 0.007 121.193 121.223 -0.063 0.000 2.023 57 L HA -0.144 4.195 4.340 -0.001 0.000 0.205 57 L C 2.286 179.216 176.870 0.099 0.000 1.073 57 L CA 0.622 55.519 54.840 0.095 0.000 0.745 57 L CB -0.574 41.665 42.059 0.300 0.000 0.900 57 L HN 0.156 nan 8.230 nan 0.000 0.435 58 L N 0.793 122.053 121.223 0.061 0.000 2.089 58 L HA -0.250 4.089 4.340 -0.001 0.000 0.213 58 L C 2.627 179.444 176.870 -0.090 0.000 1.079 58 L CA 2.105 56.935 54.840 -0.017 0.000 0.758 58 L CB -0.762 41.245 42.059 -0.088 0.000 0.891 58 L HN 0.213 nan 8.230 nan 0.000 0.433 59 A N -1.330 121.433 122.820 -0.095 0.000 1.930 59 A HA -0.195 4.124 4.320 -0.001 0.000 0.217 59 A C 2.324 179.819 177.584 -0.148 0.000 1.175 59 A CA 1.664 53.634 52.037 -0.112 0.000 0.627 59 A CB -0.376 18.560 19.000 -0.106 0.000 0.815 59 A HN 0.472 nan 8.150 nan 0.000 0.443 60 K N -0.793 119.515 120.400 -0.153 0.000 1.985 60 K HA -0.094 4.225 4.320 -0.001 0.000 0.210 60 K C 2.101 178.610 176.600 -0.152 0.000 1.047 60 K CA 1.197 57.376 56.287 -0.180 0.000 0.932 60 K CB -0.562 31.854 32.500 -0.141 0.000 0.716 60 K HN 0.442 nan 8.250 nan 0.000 0.439 61 G N 1.106 109.813 108.800 -0.157 0.000 2.501 61 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.220 61 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.220 61 G C 1.318 176.162 174.900 -0.092 0.000 1.114 61 G CA 0.435 45.428 45.100 -0.179 0.000 0.757 61 G HN 0.126 nan 8.290 nan 0.000 0.559 62 L N -0.501 120.686 121.223 -0.060 0.000 2.509 62 L HA 0.199 4.538 4.340 -0.001 0.000 0.222 62 L C 1.479 178.462 176.870 0.190 0.000 1.123 62 L CA 0.403 55.269 54.840 0.045 0.000 0.856 62 L CB 0.129 42.158 42.059 -0.049 0.000 0.985 62 L HN 0.135 nan 8.230 nan 0.000 0.456 63 N N -1.827 116.901 118.700 0.047 0.000 2.118 63 N HA 0.041 4.780 4.740 -0.001 0.000 0.226 63 N C -0.002 175.492 175.510 -0.028 0.000 1.305 63 N CA -0.131 52.944 53.050 0.041 0.000 0.890 63 N CB 0.582 39.045 38.487 -0.041 0.000 1.118 63 N HN 0.078 nan 8.380 nan 0.000 0.511 64 C N 1.424 120.693 119.300 -0.052 0.000 2.665 64 C HA 0.044 4.503 4.460 -0.001 0.000 0.416 64 C C 2.090 177.064 174.990 -0.026 0.000 1.305 64 C CA 0.198 59.178 59.018 -0.063 0.000 1.903 64 C CB 0.173 27.869 27.740 -0.074 0.000 2.704 64 C HN 0.449 nan 8.230 nan 0.000 0.629 65 E N 0.628 120.815 120.200 -0.021 0.000 2.150 65 E HA -0.156 4.193 4.350 -0.001 0.000 0.193 65 E C 2.128 178.721 176.600 -0.011 0.000 0.985 65 E CA 1.786 58.183 56.400 -0.005 0.000 0.814 65 E CB -0.046 29.656 29.700 0.002 0.000 0.752 65 E HN 0.999 nan 8.360 nan 0.000 0.466 66 T N -1.771 112.770 114.554 -0.020 0.000 2.881 66 T HA 0.078 4.428 4.350 -0.001 0.000 0.270 66 T C 0.938 175.626 174.700 -0.019 0.000 1.068 66 T CA 0.805 62.892 62.100 -0.021 0.000 1.131 66 T CB 0.135 68.985 68.868 -0.030 0.000 0.871 66 T HN 0.281 nan 8.240 nan 0.000 0.479 67 G N 0.551 109.339 108.800 -0.019 0.000 2.392 67 G HA2 0.106 4.065 3.960 -0.001 0.000 0.677 67 G HA3 0.106 4.065 3.960 -0.001 0.000 0.677 67 G C -0.800 174.097 174.900 -0.005 0.000 1.334 67 G CA -0.726 44.369 45.100 -0.008 0.000 0.961 67 G HN 0.548 nan 8.290 nan 0.000 0.616 68 I N 1.410 121.994 120.570 0.024 0.000 2.907 68 I HA 0.268 4.437 4.170 -0.001 0.000 0.285 68 I C 0.969 177.080 176.117 -0.010 0.000 1.189 68 I CA 1.195 62.517 61.300 0.037 0.000 1.376 68 I CB -0.026 38.035 38.000 0.101 0.000 1.420 68 I HN 0.624 nan 8.210 nan 0.000 0.544 69 T N 3.951 118.468 114.554 -0.063 0.000 2.868 69 T HA 0.583 4.932 4.350 -0.001 0.000 0.306 69 T C 0.458 175.032 174.700 -0.210 0.000 1.224 69 T CA -0.050 61.986 62.100 -0.106 0.000 1.012 69 T CB 1.785 70.589 68.868 -0.105 0.000 1.221 69 T HN 0.542 nan 8.240 nan 0.000 0.499 70 A N 1.342 124.028 122.820 -0.224 0.000 2.178 70 A HA 0.269 4.588 4.320 -0.001 0.000 0.211 70 A C 1.212 178.506 177.584 -0.483 0.000 1.157 70 A CA 1.034 52.845 52.037 -0.377 0.000 0.780 70 A CB -0.254 18.640 19.000 -0.177 0.000 0.828 70 A HN 0.910 nan 8.150 nan 0.000 0.476 71 T N -0.549 113.829 114.554 -0.293 0.000 3.416 71 T HA 0.389 4.738 4.350 -0.001 0.000 0.245 71 T C -2.674 171.915 174.700 -0.185 0.000 1.081 71 T CA -1.704 60.268 62.100 -0.213 0.000 1.190 71 T CB 0.105 68.908 68.868 -0.107 0.000 1.068 71 T HN 0.146 nan 8.240 nan 0.000 0.580 72 P HA 0.018 nan 4.420 nan 0.000 0.267 72 P C 1.298 178.535 177.300 -0.105 0.000 1.195 72 P CA -0.219 62.780 63.100 -0.168 0.000 0.773 72 P CB 0.569 32.153 31.700 -0.192 0.000 0.837 73 C N -1.203 118.048 119.300 -0.081 0.000 2.590 73 C HA 0.405 4.865 4.460 -0.001 0.000 0.272 73 C C 1.872 176.834 174.990 -0.046 0.000 1.338 73 C CA 0.564 59.549 59.018 -0.055 0.000 1.746 73 C CB -1.312 26.400 27.740 -0.046 0.000 2.020 73 C HN 0.750 nan 8.230 nan 0.000 0.531 74 G N 0.889 109.656 108.800 -0.055 0.000 2.168 74 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.263 74 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.263 74 G C 0.767 175.642 174.900 -0.042 0.000 0.977 74 G CA 1.314 46.384 45.100 -0.050 0.000 0.659 74 G HN 1.617 nan 8.290 nan 0.000 0.533 75 V N -2.555 117.336 119.914 -0.038 0.000 3.250 75 V HA 0.287 4.406 4.120 -0.001 0.000 0.240 75 V C 2.119 178.200 176.094 -0.022 0.000 1.275 75 V CA 0.847 63.131 62.300 -0.027 0.000 1.206 75 V CB -0.751 31.059 31.823 -0.022 0.000 0.976 75 V HN 1.395 nan 8.190 nan 0.000 0.467 76 C N 1.716 121.002 119.300 -0.024 0.000 2.741 76 C HA 0.211 4.670 4.460 -0.001 0.000 0.403 76 C C 1.835 176.824 174.990 -0.002 0.000 1.282 76 C CA 0.474 59.484 59.018 -0.013 0.000 2.053 76 C CB -0.010 27.721 27.740 -0.016 0.000 2.731 76 C HN 0.637 nan 8.230 nan 0.000 0.680 77 D N 1.917 122.327 120.400 0.017 0.000 2.204 77 D HA -0.184 4.455 4.640 -0.001 0.000 0.189 77 D C 1.741 178.085 176.300 0.072 0.000 1.006 77 D CA 2.410 56.435 54.000 0.042 0.000 0.855 77 D CB -0.455 40.375 40.800 0.051 0.000 0.946 77 D HN 0.775 nan 8.370 nan 0.000 0.448 78 N N -0.357 118.394 118.700 0.085 0.000 2.149 78 N HA -0.119 4.620 4.740 -0.001 0.000 0.188 78 N C 1.912 177.333 175.510 -0.148 0.000 1.019 78 N CA 0.755 53.837 53.050 0.053 0.000 0.857 78 N CB -0.596 37.892 38.487 0.001 0.000 0.997 78 N HN 0.288 nan 8.380 nan 0.000 0.426 79 C N 0.069 119.308 119.300 -0.102 0.000 2.505 79 C HA 0.143 4.602 4.460 -0.001 0.000 0.279 79 C C 2.534 177.476 174.990 -0.081 0.000 1.316 79 C CA 0.018 58.962 59.018 -0.123 0.000 1.720 79 C CB -0.646 27.036 27.740 -0.096 0.000 2.050 79 C HN 0.454 nan 8.230 nan 0.000 0.493 80 R N 0.734 121.210 120.500 -0.041 0.000 2.115 80 R HA -0.083 4.256 4.340 -0.001 0.000 0.226 80 R C 2.057 178.356 176.300 -0.003 0.000 1.100 80 R CA 0.979 57.064 56.100 -0.025 0.000 0.980 80 R CB -0.264 30.026 30.300 -0.016 0.000 0.875 80 R HN 0.616 nan 8.270 nan 0.000 0.445 81 E N 0.547 120.767 120.200 0.034 0.000 2.130 81 E HA -0.208 4.141 4.350 -0.001 0.000 0.196 81 E C 1.837 178.491 176.600 0.090 0.000 0.998 81 E CA 1.198 57.662 56.400 0.106 0.000 0.806 81 E CB 0.014 29.876 29.700 0.270 0.000 0.738 81 E HN 0.351 nan 8.360 nan 0.000 0.459 82 I N 0.195 120.758 120.570 -0.012 0.000 2.400 82 I HA -0.173 3.997 4.170 -0.001 0.000 0.248 82 I C 2.508 178.602 176.117 -0.039 0.000 1.109 82 I CA 0.693 61.962 61.300 -0.051 0.000 1.425 82 I CB -0.290 37.579 38.000 -0.219 0.000 1.094 82 I HN 0.112 nan 8.210 nan 0.000 0.425 83 E N 0.898 121.067 120.200 -0.052 0.000 2.147 83 E HA -0.284 4.065 4.350 -0.001 0.000 0.199 83 E C 2.230 178.810 176.600 -0.034 0.000 1.005 83 E CA 1.479 57.850 56.400 -0.048 0.000 0.810 83 E CB 0.160 29.828 29.700 -0.052 0.000 0.736 83 E HN 0.425 nan 8.360 nan 0.000 0.460 84 Q N -1.560 118.229 119.800 -0.017 0.000 2.049 84 Q HA -0.030 4.310 4.340 -0.001 0.000 0.198 84 Q C 1.796 177.794 176.000 -0.004 0.000 0.971 84 Q CA 1.639 57.437 55.803 -0.010 0.000 0.833 84 Q CB 0.538 29.278 28.738 0.003 0.000 0.896 84 Q HN 0.503 nan 8.270 nan 0.000 0.434 85 G N -0.303 108.504 108.800 0.011 0.000 3.514 85 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.197 85 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.197 85 G C 0.284 175.205 174.900 0.036 0.000 1.098 85 G CA -0.569 44.539 45.100 0.014 0.000 0.884 85 G HN 0.123 nan 8.290 nan 0.000 0.433 86 R N 0.466 120.993 120.500 0.045 0.000 2.522 86 R HA 0.522 4.862 4.340 -0.001 0.000 0.290 86 R C -1.486 174.875 176.300 0.101 0.000 1.216 86 R CA -0.470 55.658 56.100 0.046 0.000 1.250 86 R CB 0.171 30.477 30.300 0.011 0.000 1.143 86 R HN 0.165 nan 8.270 nan 0.000 0.553 87 F N 2.573 122.500 119.950 -0.038 0.000 2.382 87 F HA 0.145 4.672 4.527 -0.001 0.000 0.361 87 F C 1.123 176.895 175.800 -0.046 0.000 1.109 87 F CA -0.797 57.180 58.000 -0.037 0.000 1.031 87 F CB 1.095 40.074 39.000 -0.035 0.000 1.234 87 F HN 0.064 nan 8.300 nan 0.000 0.445 88 V N 3.452 123.016 119.914 -0.582 0.000 2.418 88 V HA -0.321 3.799 4.120 -0.001 0.000 0.258 88 V C 0.964 176.834 176.094 -0.373 0.000 1.088 88 V CA 2.290 64.328 62.300 -0.437 0.000 1.091 88 V CB -0.446 31.117 31.823 -0.433 0.000 0.669 88 V HN 0.708 nan 8.190 nan 0.000 0.461 89 D N -0.734 119.353 120.400 -0.520 0.000 2.593 89 D HA 0.261 4.901 4.640 -0.001 0.000 0.241 89 D C -0.215 176.181 176.300 0.160 0.000 1.257 89 D CA -0.136 53.790 54.000 -0.124 0.000 0.828 89 D CB 1.049 41.830 40.800 -0.032 0.000 1.049 89 D HN 0.281 nan 8.370 nan 0.000 0.490 90 L N 1.676 123.046 121.223 0.245 0.000 2.337 90 L HA 0.417 4.756 4.340 -0.001 0.000 0.269 90 L C -0.762 176.093 176.870 -0.025 0.000 1.018 90 L CA -0.515 54.407 54.840 0.135 0.000 0.876 90 L CB 0.566 42.747 42.059 0.204 0.000 1.236 90 L HN -0.117 nan 8.230 nan 0.000 0.436 91 I N 3.932 124.393 120.570 -0.182 0.000 2.269 91 I HA 0.250 4.419 4.170 -0.001 0.000 0.293 91 I C 0.305 176.368 176.117 -0.090 0.000 1.106 91 I CA -0.128 61.048 61.300 -0.206 0.000 1.248 91 I CB 0.480 38.190 38.000 -0.483 0.000 1.444 91 I HN 0.589 nan 8.210 nan 0.000 0.497 92 E N 6.160 126.343 120.200 -0.027 0.000 2.044 92 E HA 0.295 4.644 4.350 -0.001 0.000 0.282 92 E C -0.746 175.871 176.600 0.027 0.000 1.031 92 E CA -0.872 55.535 56.400 0.012 0.000 0.824 92 E CB 0.740 30.446 29.700 0.009 0.000 1.076 92 E HN 0.394 nan 8.360 nan 0.000 0.395 93 I N 4.464 125.070 120.570 0.060 0.000 2.352 93 I HA -0.008 4.161 4.170 -0.001 0.000 0.290 93 I C 0.166 176.307 176.117 0.040 0.000 1.036 93 I CA -0.372 60.964 61.300 0.061 0.000 1.336 93 I CB 1.116 39.178 38.000 0.105 0.000 1.407 93 I HN 0.433 nan 8.210 nan 0.000 0.497 94 D N 6.835 127.247 120.400 0.020 0.000 2.470 94 D HA 0.161 4.800 4.640 -0.001 0.000 0.226 94 D C 0.992 177.286 176.300 -0.009 0.000 1.196 94 D CA -0.072 53.931 54.000 0.006 0.000 0.979 94 D CB 0.852 41.653 40.800 0.002 0.000 1.059 94 D HN 0.629 nan 8.370 nan 0.000 0.515 95 A N 3.277 126.085 122.820 -0.020 0.000 2.178 95 A HA 0.035 4.354 4.320 -0.001 0.000 0.218 95 A C 2.009 179.544 177.584 -0.082 0.000 1.157 95 A CA 1.263 53.271 52.037 -0.049 0.000 0.689 95 A CB -0.098 18.866 19.000 -0.060 0.000 0.787 95 A HN 0.580 nan 8.150 nan 0.000 0.465 96 A N -0.247 122.528 122.820 -0.076 0.000 2.123 96 A HA 0.131 4.450 4.320 -0.001 0.000 0.214 96 A C 2.023 179.583 177.584 -0.042 0.000 1.152 96 A CA 1.500 53.491 52.037 -0.076 0.000 0.728 96 A CB -0.270 18.695 19.000 -0.057 0.000 0.814 96 A HN 0.751 nan 8.150 nan 0.000 0.464 97 S N -1.758 113.924 115.700 -0.031 0.000 2.603 97 S HA 0.307 4.776 4.470 -0.001 0.000 0.232 97 S C 0.610 175.197 174.600 -0.021 0.000 1.016 97 S CA -0.452 57.736 58.200 -0.020 0.000 0.976 97 S CB 0.359 63.553 63.200 -0.011 0.000 0.921 97 S HN 0.305 nan 8.310 nan 0.000 0.516 98 R N 2.436 122.920 120.500 -0.027 0.000 2.651 98 R HA 0.297 4.636 4.340 -0.001 0.000 0.282 98 R C 0.407 176.681 176.300 -0.044 0.000 1.565 98 R CA 0.421 56.506 56.100 -0.024 0.000 1.661 98 R CB 0.471 30.767 30.300 -0.007 0.000 1.189 98 R HN 0.542 nan 8.270 nan 0.000 0.621 99 T N -3.110 111.411 114.554 -0.056 0.000 2.990 99 T HA 0.219 4.568 4.350 -0.001 0.000 0.250 99 T C 0.799 175.450 174.700 -0.083 0.000 1.041 99 T CA 0.066 62.113 62.100 -0.089 0.000 1.010 99 T CB 0.777 69.594 68.868 -0.087 0.000 1.003 99 T HN 0.068 nan 8.240 nan 0.000 0.499 100 K N 0.621 120.988 120.400 -0.054 0.000 2.187 100 K HA 0.365 4.684 4.320 -0.001 0.000 0.247 100 K C 1.072 177.647 176.600 -0.042 0.000 1.019 100 K CA -0.180 56.079 56.287 -0.047 0.000 0.893 100 K CB 0.756 33.233 32.500 -0.038 0.000 1.025 100 K HN -0.148 nan 8.250 nan 0.000 0.500 101 V N 0.969 120.863 119.914 -0.034 0.000 2.446 101 V HA -0.161 3.958 4.120 -0.001 0.000 0.244 101 V C 2.112 178.202 176.094 -0.005 0.000 1.039 101 V CA 1.478 63.772 62.300 -0.010 0.000 1.045 101 V CB -0.459 31.375 31.823 0.019 0.000 0.681 101 V HN 0.824 nan 8.190 nan 0.000 0.459 102 E N 0.273 120.465 120.200 -0.013 0.000 2.200 102 E HA -0.349 4.000 4.350 -0.001 0.000 0.211 102 E C 1.655 178.257 176.600 0.004 0.000 1.048 102 E CA 2.195 58.593 56.400 -0.005 0.000 0.851 102 E CB -0.038 29.655 29.700 -0.011 0.000 0.747 102 E HN 0.646 nan 8.360 nan 0.000 0.462 103 D N -1.324 119.076 120.400 -0.001 0.000 2.213 103 D HA -0.054 4.585 4.640 -0.001 0.000 0.205 103 D C 1.790 178.101 176.300 0.018 0.000 0.961 103 D CA 1.077 55.081 54.000 0.007 0.000 0.853 103 D CB -0.329 40.470 40.800 -0.002 0.000 0.967 103 D HN 0.142 nan 8.370 nan 0.000 0.496 104 T N 0.368 114.927 114.554 0.009 0.000 2.896 104 T HA 0.001 4.350 4.350 -0.001 0.000 0.263 104 T C 1.956 176.675 174.700 0.032 0.000 1.050 104 T CA 0.403 62.513 62.100 0.017 0.000 1.140 104 T CB 0.194 69.054 68.868 -0.014 0.000 0.877 104 T HN 0.032 nan 8.240 nan 0.000 0.457 105 R N 0.907 121.424 120.500 0.029 0.000 2.127 105 R HA -0.100 4.239 4.340 -0.001 0.000 0.238 105 R C 1.881 178.209 176.300 0.047 0.000 1.134 105 R CA 1.498 57.620 56.100 0.037 0.000 0.975 105 R CB -0.093 30.227 30.300 0.033 0.000 0.865 105 R HN 0.311 nan 8.270 nan 0.000 0.447 106 D N 0.077 120.503 120.400 0.044 0.000 2.120 106 D HA -0.116 4.524 4.640 -0.001 0.000 0.202 106 D C 1.728 178.073 176.300 0.074 0.000 0.972 106 D CA 0.512 54.541 54.000 0.050 0.000 0.837 106 D CB -0.306 40.515 40.800 0.034 0.000 0.989 106 D HN 0.016 nan 8.370 nan 0.000 0.469 107 L N 0.829 122.104 121.223 0.087 0.000 2.034 107 L HA -0.180 4.159 4.340 -0.001 0.000 0.217 107 L C 1.805 178.774 176.870 0.164 0.000 1.077 107 L CA 1.721 56.648 54.840 0.145 0.000 0.769 107 L CB -0.519 41.634 42.059 0.156 0.000 0.890 107 L HN 0.060 nan 8.230 nan 0.000 0.435 108 L N -1.005 120.280 121.223 0.104 0.000 2.599 108 L HA -0.016 4.323 4.340 -0.001 0.000 0.230 108 L C 1.519 178.452 176.870 0.104 0.000 1.141 108 L CA 0.119 55.007 54.840 0.079 0.000 0.877 108 L CB -0.704 41.383 42.059 0.048 0.000 1.009 108 L HN 0.233 nan 8.230 nan 0.000 0.447 109 D N 0.309 120.775 120.400 0.111 0.000 2.269 109 D HA -0.108 4.531 4.640 -0.001 0.000 0.208 109 D C 1.580 177.997 176.300 0.195 0.000 0.963 109 D CA 0.846 54.924 54.000 0.131 0.000 0.864 109 D CB 0.090 40.949 40.800 0.097 0.000 0.936 109 D HN 0.161 nan 8.370 nan 0.000 0.505 110 N N -0.154 118.653 118.700 0.179 0.000 2.280 110 N HA -0.036 4.704 4.740 -0.001 0.000 0.192 110 N C 1.509 177.215 175.510 0.325 0.000 1.109 110 N CA -0.052 53.127 53.050 0.214 0.000 0.855 110 N CB 0.523 39.077 38.487 0.113 0.000 0.974 110 N HN -0.010 nan 8.380 nan 0.000 0.482 111 V N 0.378 120.442 119.914 0.250 0.000 2.490 111 V HA -0.208 3.911 4.120 -0.001 0.000 0.250 111 V C 2.188 178.406 176.094 0.206 0.000 1.061 111 V CA 1.750 64.143 62.300 0.155 0.000 1.064 111 V CB -0.028 31.790 31.823 -0.009 0.000 0.670 111 V HN 0.220 nan 8.190 nan 0.000 0.461 112 Q N -0.403 119.557 119.800 0.266 0.000 2.187 112 Q HA -0.036 4.303 4.340 -0.001 0.000 0.199 112 Q C 0.370 176.513 176.000 0.238 0.000 0.957 112 Q CA 0.909 56.847 55.803 0.226 0.000 0.857 112 Q CB -0.374 28.422 28.738 0.097 0.000 0.929 112 Q HN 0.725 nan 8.270 nan 0.000 0.453 113 Y N 0.547 120.968 120.300 0.202 0.000 2.610 113 Y HA 0.210 4.759 4.550 -0.001 0.000 0.332 113 Y C 0.721 176.778 175.900 0.262 0.000 1.201 113 Y CA -0.366 57.833 58.100 0.165 0.000 1.465 113 Y CB 0.271 38.795 38.460 0.107 0.000 1.283 113 Y HN 0.141 nan 8.280 nan 0.000 0.563 114 A N 6.056 128.994 122.820 0.198 0.000 2.406 114 A HA 0.298 4.618 4.320 -0.001 0.000 0.243 114 A C -2.191 175.526 177.584 0.220 0.000 1.082 114 A CA -1.348 50.755 52.037 0.110 0.000 0.786 114 A CB -0.445 18.489 19.000 -0.109 0.000 1.029 114 A HN 0.539 nan 8.150 nan 0.000 0.495 115 P HA 0.326 nan 4.420 nan 0.000 0.279 115 P C -0.088 177.244 177.300 0.053 0.000 1.239 115 P CA 0.108 63.295 63.100 0.145 0.000 0.789 115 P CB 1.555 33.357 31.700 0.171 0.000 0.933 116 A N 3.055 125.872 122.820 -0.004 0.000 2.348 116 A HA 0.155 4.474 4.320 -0.001 0.000 0.224 116 A C 1.801 179.343 177.584 -0.071 0.000 1.227 116 A CA 0.192 52.208 52.037 -0.035 0.000 0.885 116 A CB -0.229 18.743 19.000 -0.048 0.000 0.933 116 A HN 0.488 nan 8.150 nan 0.000 0.506 117 R N -1.765 118.685 120.500 -0.084 0.000 2.716 117 R HA 0.175 4.514 4.340 -0.001 0.000 0.186 117 R C 0.981 177.313 176.300 0.054 0.000 0.830 117 R CA 0.777 56.840 56.100 -0.062 0.000 1.059 117 R CB 0.667 30.850 30.300 -0.196 0.000 1.531 117 R HN 0.411 nan 8.270 nan 0.000 0.633 118 G N -0.386 108.493 108.800 0.132 0.000 3.016 118 G HA2 0.272 4.231 3.960 -0.001 0.000 0.270 118 G HA3 0.272 4.231 3.960 -0.001 0.000 0.270 118 G C 0.174 175.113 174.900 0.066 0.000 1.352 118 G CA -0.509 44.700 45.100 0.182 0.000 1.060 118 G HN 0.038 nan 8.290 nan 0.000 0.538 119 R N -1.423 119.070 120.500 -0.011 0.000 2.189 119 R HA 0.099 4.438 4.340 -0.001 0.000 0.223 119 R C -0.464 175.568 176.300 -0.447 0.000 1.092 119 R CA 0.947 56.871 56.100 -0.293 0.000 0.989 119 R CB -0.090 29.949 30.300 -0.435 0.000 0.876 119 R HN 0.220 nan 8.270 nan 0.000 0.457 120 F N 0.123 120.143 119.950 0.116 0.000 2.588 120 F HA 0.307 4.833 4.527 -0.001 0.000 0.314 120 F C -0.375 175.485 175.800 0.100 0.000 1.134 120 F CA -1.451 56.613 58.000 0.107 0.000 0.961 120 F CB 1.756 40.797 39.000 0.068 0.000 1.239 120 F HN -0.353 nan 8.300 nan 0.000 0.448 121 K N 2.748 123.326 120.400 0.297 0.000 2.338 121 K HA 0.467 4.786 4.320 -0.001 0.000 0.290 121 K C -1.029 175.626 176.600 0.091 0.000 1.069 121 K CA -0.085 56.289 56.287 0.145 0.000 0.941 121 K CB 0.491 33.065 32.500 0.123 0.000 1.023 121 K HN 0.422 nan 8.250 nan 0.000 0.477 122 V N 6.230 126.157 119.914 0.021 0.000 2.311 122 V HA 0.150 4.269 4.120 -0.001 0.000 0.275 122 V C -0.837 175.191 176.094 -0.109 0.000 1.022 122 V CA -0.812 61.472 62.300 -0.027 0.000 0.830 122 V CB 0.226 32.044 31.823 -0.008 0.000 1.012 122 V HN 0.550 nan 8.190 nan 0.000 0.452 123 Y N 5.158 125.351 120.300 -0.178 0.000 2.452 123 Y HA 0.444 4.993 4.550 -0.001 0.000 0.348 123 Y C 0.044 175.982 175.900 0.063 0.000 0.985 123 Y CA -0.755 57.306 58.100 -0.064 0.000 1.214 123 Y CB 1.182 39.572 38.460 -0.115 0.000 1.136 123 Y HN 0.501 nan 8.280 nan 0.000 0.523 124 L N 6.427 127.742 121.223 0.152 0.000 2.272 124 L HA 0.489 4.828 4.340 -0.001 0.000 0.284 124 L C -0.872 176.094 176.870 0.160 0.000 1.045 124 L CA -0.613 54.316 54.840 0.148 0.000 0.842 124 L CB -0.206 41.893 42.059 0.067 0.000 1.224 124 L HN 0.451 nan 8.230 nan 0.000 0.430 125 I N 4.305 124.998 120.570 0.206 0.000 2.307 125 I HA 0.297 4.466 4.170 -0.001 0.000 0.289 125 I C -0.418 175.776 176.117 0.128 0.000 1.021 125 I CA -0.437 60.963 61.300 0.166 0.000 1.224 125 I CB 1.229 39.346 38.000 0.194 0.000 1.376 125 I HN 0.489 nan 8.210 nan 0.000 0.470 126 D N 6.202 126.649 120.400 0.080 0.000 2.252 126 D HA 0.182 4.821 4.640 -0.001 0.000 0.245 126 D C 0.038 176.346 176.300 0.014 0.000 1.009 126 D CA 0.012 54.049 54.000 0.061 0.000 0.870 126 D CB 1.324 42.151 40.800 0.045 0.000 1.251 126 D HN 0.362 nan 8.370 nan 0.000 0.460 127 E N 1.188 121.400 120.200 0.020 0.000 2.228 127 E HA -0.158 4.191 4.350 -0.001 0.000 0.213 127 E C 0.889 177.307 176.600 -0.304 0.000 1.282 127 E CA 0.257 56.599 56.400 -0.097 0.000 0.707 127 E CB -1.824 27.828 29.700 -0.080 0.000 1.150 127 E HN 0.296 nan 8.360 nan 0.000 0.362 128 V N 1.152 121.011 119.914 -0.092 0.000 3.141 128 V HA -0.200 3.919 4.120 -0.001 0.000 0.265 128 V C 2.367 178.485 176.094 0.039 0.000 1.126 128 V CA 1.979 64.270 62.300 -0.014 0.000 1.141 128 V CB -0.526 31.377 31.823 0.135 0.000 0.743 128 V HN 0.649 nan 8.190 nan 0.000 0.492 129 H N -1.691 117.482 119.070 0.172 0.000 2.518 129 H HA -0.090 4.465 4.556 -0.001 0.000 0.289 129 H C 1.801 177.232 175.328 0.172 0.000 1.051 129 H CA 1.220 57.396 56.048 0.212 0.000 1.280 129 H CB -0.430 29.411 29.762 0.132 0.000 1.380 129 H HN 0.383 nan 8.280 nan 0.000 0.566 130 M N 1.161 120.625 119.600 -0.226 0.000 2.595 130 M HA 0.164 4.643 4.480 -0.001 0.000 0.248 130 M C 0.807 177.033 176.300 -0.123 0.000 1.119 130 M CA -0.011 55.232 55.300 -0.096 0.000 1.079 130 M CB -0.388 32.105 32.600 -0.178 0.000 1.472 130 M HN 0.152 nan 8.290 nan 0.000 0.501 131 L N 1.178 122.231 121.223 -0.284 0.000 2.456 131 L HA 0.043 4.383 4.340 -0.001 0.000 0.272 131 L C 1.094 177.683 176.870 -0.468 0.000 1.189 131 L CA -0.437 54.107 54.840 -0.493 0.000 0.846 131 L CB 0.427 41.931 42.059 -0.926 0.000 1.111 131 L HN 0.252 nan 8.230 nan 0.000 0.475 132 S N 2.879 118.419 115.700 -0.268 0.000 2.606 132 S HA 0.157 4.626 4.470 -0.001 0.000 0.257 132 S C 1.234 175.834 174.600 0.001 0.000 1.327 132 S CA -0.691 57.464 58.200 -0.075 0.000 0.984 132 S CB 0.717 63.911 63.200 -0.009 0.000 0.941 132 S HN 0.539 nan 8.310 nan 0.000 0.576 133 R N 0.443 121.034 120.500 0.151 0.000 2.096 133 R HA -0.170 4.169 4.340 -0.001 0.000 0.240 133 R C 2.066 178.439 176.300 0.123 0.000 1.139 133 R CA 2.222 58.435 56.100 0.187 0.000 0.952 133 R CB -1.125 29.247 30.300 0.120 0.000 0.854 133 R HN 0.774 nan 8.270 nan 0.000 0.436 134 H N -0.479 118.607 119.070 0.027 0.000 2.395 134 H HA 0.070 4.625 4.556 -0.001 0.000 0.299 134 H C 2.189 177.509 175.328 -0.013 0.000 1.070 134 H CA 1.423 57.479 56.048 0.013 0.000 1.356 134 H CB 0.094 29.855 29.762 -0.002 0.000 1.401 134 H HN 0.058 nan 8.280 nan 0.000 0.524 135 S N -0.425 115.297 115.700 0.037 0.000 2.447 135 S HA -0.074 4.395 4.470 -0.001 0.000 0.233 135 S C 1.643 176.186 174.600 -0.094 0.000 1.006 135 S CA 0.604 58.759 58.200 -0.076 0.000 0.957 135 S CB -0.178 62.912 63.200 -0.183 0.000 0.773 135 S HN 0.306 nan 8.310 nan 0.000 0.507 136 F N 1.933 121.883 119.950 -0.000 0.000 2.074 136 F HA -0.085 4.442 4.527 -0.001 0.000 0.293 136 F C 2.369 178.139 175.800 -0.050 0.000 1.116 136 F CA 0.694 58.675 58.000 -0.031 0.000 1.212 136 F CB -0.450 38.532 39.000 -0.029 0.000 0.998 136 F HN 0.104 nan 8.300 nan 0.000 0.471 137 N N 0.504 119.293 118.700 0.149 0.000 2.096 137 N HA -0.262 4.477 4.740 -0.001 0.000 0.195 137 N C 1.634 177.160 175.510 0.028 0.000 1.017 137 N CA 1.676 54.749 53.050 0.039 0.000 0.870 137 N CB -0.530 37.935 38.487 -0.037 0.000 1.024 137 N HN 0.314 nan 8.380 nan 0.000 0.434 138 A N -0.063 122.777 122.820 0.034 0.000 1.872 138 A HA -0.022 4.297 4.320 -0.001 0.000 0.214 138 A C 2.120 179.702 177.584 -0.003 0.000 1.187 138 A CA 0.905 52.954 52.037 0.019 0.000 0.614 138 A CB -0.783 18.232 19.000 0.026 0.000 0.826 138 A HN 0.273 nan 8.150 nan 0.000 0.442 139 L N -0.388 120.833 121.223 -0.003 0.000 2.043 139 L HA -0.168 4.171 4.340 -0.001 0.000 0.212 139 L C 2.234 179.042 176.870 -0.104 0.000 1.075 139 L CA 2.269 57.069 54.840 -0.066 0.000 0.752 139 L CB -0.713 41.339 42.059 -0.013 0.000 0.891 139 L HN 0.383 nan 8.230 nan 0.000 0.432 140 L N -0.638 120.565 121.223 -0.033 0.000 2.141 140 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 140 L C 2.394 179.238 176.870 -0.044 0.000 1.094 140 L CA 1.692 56.504 54.840 -0.047 0.000 0.763 140 L CB -0.660 41.387 42.059 -0.020 0.000 0.908 140 L HN 0.238 nan 8.230 nan 0.000 0.437 141 K N -1.388 118.995 120.400 -0.028 0.000 2.211 141 K HA -0.073 4.246 4.320 -0.001 0.000 0.203 141 K C 1.671 178.264 176.600 -0.011 0.000 1.050 141 K CA 1.579 57.858 56.287 -0.013 0.000 0.945 141 K CB -0.077 32.423 32.500 -0.000 0.000 0.732 141 K HN 0.347 nan 8.250 nan 0.000 0.451 142 T N 0.799 115.332 114.554 -0.036 0.000 3.067 142 T HA 0.112 4.461 4.350 -0.001 0.000 0.257 142 T C 1.390 176.083 174.700 -0.012 0.000 1.105 142 T CA 0.469 62.562 62.100 -0.013 0.000 1.104 142 T CB 0.202 69.064 68.868 -0.009 0.000 0.925 142 T HN 0.081 nan 8.240 nan 0.000 0.498 143 L N -0.015 121.160 121.223 -0.081 0.000 2.554 143 L HA 0.320 4.660 4.340 -0.001 0.000 0.225 143 L C 2.298 179.210 176.870 0.070 0.000 1.104 143 L CA 0.474 55.316 54.840 0.002 0.000 0.866 143 L CB -0.139 41.866 42.059 -0.090 0.000 1.047 143 L HN 0.144 nan 8.230 nan 0.000 0.468 144 E N 0.990 121.200 120.200 0.017 0.000 2.216 144 E HA -0.060 4.289 4.350 -0.001 0.000 0.192 144 E C 0.075 176.671 176.600 -0.006 0.000 0.988 144 E CA 0.693 57.097 56.400 0.006 0.000 0.834 144 E CB 0.377 30.074 29.700 -0.005 0.000 0.772 144 E HN 0.464 nan 8.360 nan 0.000 0.479 145 E N 1.150 121.358 120.200 0.014 0.000 3.108 145 E HA 0.193 4.542 4.350 -0.001 0.000 0.228 145 E C -2.585 174.050 176.600 0.059 0.000 1.176 145 E CA -1.693 54.717 56.400 0.017 0.000 0.881 145 E CB 1.362 31.074 29.700 0.019 0.000 1.354 145 E HN 0.036 nan 8.360 nan 0.000 0.400 146 P HA 0.192 nan 4.420 nan 0.000 0.276 146 P C -2.366 175.014 177.300 0.134 0.000 1.235 146 P CA -1.310 61.887 63.100 0.161 0.000 0.772 146 P CB 0.084 31.911 31.700 0.211 0.000 0.871 147 P HA -0.011 nan 4.420 nan 0.000 0.271 147 P C 0.940 178.367 177.300 0.211 0.000 1.238 147 P CA 0.129 63.333 63.100 0.174 0.000 0.794 147 P CB 0.626 32.394 31.700 0.114 0.000 0.959 148 E N 0.414 120.805 120.200 0.318 0.000 2.122 148 E HA -0.156 4.193 4.350 -0.001 0.000 0.190 148 E C 1.492 178.340 176.600 0.414 0.000 0.977 148 E CA 1.255 57.836 56.400 0.301 0.000 0.820 148 E CB -0.486 29.345 29.700 0.218 0.000 0.770 148 E HN 0.504 nan 8.360 nan 0.000 0.462 149 H N -1.049 118.147 119.070 0.210 0.000 2.547 149 H HA 0.190 4.745 4.556 -0.001 0.000 0.266 149 H C -0.010 175.552 175.328 0.390 0.000 0.988 149 H CA 0.066 56.275 56.048 0.267 0.000 1.147 149 H CB -0.804 29.033 29.762 0.126 0.000 1.365 149 H HN -0.098 nan 8.280 nan 0.000 0.589 150 V N 1.986 121.910 119.914 0.017 0.000 2.483 150 V HA 0.383 4.502 4.120 -0.001 0.000 0.295 150 V C -0.055 176.002 176.094 -0.063 0.000 1.035 150 V CA -0.938 61.300 62.300 -0.104 0.000 0.896 150 V CB 2.048 33.691 31.823 -0.300 0.000 0.986 150 V HN 0.090 nan 8.190 nan 0.000 0.447 151 K N 3.032 123.328 120.400 -0.174 0.000 2.422 151 K HA 0.647 4.966 4.320 -0.001 0.000 0.251 151 K C -1.462 174.997 176.600 -0.236 0.000 0.933 151 K CA -0.477 55.725 56.287 -0.141 0.000 0.798 151 K CB 2.314 34.675 32.500 -0.231 0.000 1.238 151 K HN 0.462 nan 8.250 nan 0.000 0.428 152 F N 2.101 122.127 119.950 0.127 0.000 2.449 152 F HA 0.447 4.974 4.527 -0.001 0.000 0.342 152 F C 0.039 175.941 175.800 0.170 0.000 1.127 152 F CA -0.731 57.359 58.000 0.150 0.000 0.975 152 F CB 1.178 40.241 39.000 0.105 0.000 1.146 152 F HN 0.072 nan 8.300 nan 0.000 0.444 153 L N 5.635 127.068 121.223 0.350 0.000 2.294 153 L HA 0.474 4.813 4.340 -0.001 0.000 0.283 153 L C -0.834 176.236 176.870 0.334 0.000 1.015 153 L CA -0.452 54.594 54.840 0.343 0.000 0.831 153 L CB 1.141 43.360 42.059 0.266 0.000 1.217 153 L HN 0.467 nan 8.230 nan 0.000 0.420 154 L N 3.463 124.877 121.223 0.319 0.000 2.282 154 L HA 0.736 5.075 4.340 -0.001 0.000 0.288 154 L C 0.124 177.162 176.870 0.280 0.000 1.033 154 L CA -0.341 54.651 54.840 0.253 0.000 0.807 154 L CB 1.815 43.982 42.059 0.180 0.000 1.209 154 L HN 0.668 nan 8.230 nan 0.000 0.423 155 A N 2.525 125.487 122.820 0.238 0.000 2.365 155 A HA 0.841 5.160 4.320 -0.001 0.000 0.318 155 A C -0.486 177.214 177.584 0.194 0.000 1.091 155 A CA -0.476 51.704 52.037 0.238 0.000 0.763 155 A CB 2.098 21.209 19.000 0.185 0.000 1.248 155 A HN 0.593 nan 8.150 nan 0.000 0.442 156 T N -0.042 114.637 114.554 0.207 0.000 2.977 156 T HA 0.413 4.762 4.350 -0.001 0.000 0.345 156 T C 0.913 175.730 174.700 0.196 0.000 1.562 156 T CA 0.334 62.580 62.100 0.244 0.000 1.090 156 T CB 0.942 69.991 68.868 0.301 0.000 1.383 156 T HN 0.773 nan 8.240 nan 0.000 0.484 157 T N 0.746 115.409 114.554 0.183 0.000 2.851 157 T HA 0.084 4.433 4.350 -0.001 0.000 0.262 157 T C 0.569 175.296 174.700 0.044 0.000 1.043 157 T CA 0.694 62.845 62.100 0.085 0.000 1.140 157 T CB -0.077 68.811 68.868 0.033 0.000 0.872 157 T HN 0.522 nan 8.240 nan 0.000 0.446 158 D N 2.236 122.627 120.400 -0.015 0.000 2.479 158 D HA 0.237 4.876 4.640 -0.001 0.000 0.247 158 D C -1.795 174.530 176.300 0.042 0.000 1.119 158 D CA -2.551 51.427 54.000 -0.038 0.000 0.922 158 D CB 1.580 42.275 40.800 -0.174 0.000 1.014 158 D HN 0.044 nan 8.370 nan 0.000 0.510 159 P HA -0.143 nan 4.420 nan 0.000 0.222 159 P C 1.305 178.611 177.300 0.010 0.000 1.153 159 P CA 0.590 63.722 63.100 0.054 0.000 0.798 159 P CB 0.414 32.144 31.700 0.049 0.000 0.796 160 Q N 1.258 121.056 119.800 -0.004 0.000 2.404 160 Q HA -0.186 4.153 4.340 -0.001 0.000 0.214 160 Q C 1.752 177.739 176.000 -0.021 0.000 0.992 160 Q CA 1.850 57.639 55.803 -0.023 0.000 0.899 160 Q CB -0.606 28.119 28.738 -0.023 0.000 0.921 160 Q HN 0.199 nan 8.270 nan 0.000 0.453 161 K N -0.515 119.888 120.400 0.007 0.000 2.361 161 K HA 0.175 4.494 4.320 -0.001 0.000 0.194 161 K C -0.098 176.484 176.600 -0.029 0.000 1.032 161 K CA -0.109 56.197 56.287 0.031 0.000 1.048 161 K CB 0.331 32.900 32.500 0.115 0.000 0.842 161 K HN 0.240 nan 8.250 nan 0.000 0.526 162 L N 2.789 123.946 121.223 -0.109 0.000 2.397 162 L HA 0.185 4.524 4.340 -0.001 0.000 0.271 162 L C -2.166 174.481 176.870 -0.372 0.000 1.148 162 L CA -2.195 52.408 54.840 -0.395 0.000 0.825 162 L CB -0.321 41.560 42.059 -0.296 0.000 1.117 162 L HN -0.224 nan 8.230 nan 0.000 0.456 163 P HA -0.125 nan 4.420 nan 0.000 0.266 163 P C 0.838 178.008 177.300 -0.216 0.000 1.186 163 P CA 0.169 63.084 63.100 -0.307 0.000 0.767 163 P CB 0.653 32.154 31.700 -0.333 0.000 0.820 164 V N 3.078 122.906 119.914 -0.144 0.000 2.453 164 V HA -0.244 3.875 4.120 -0.001 0.000 0.252 164 V C 1.905 177.931 176.094 -0.114 0.000 1.068 164 V CA 2.916 65.149 62.300 -0.112 0.000 1.070 164 V CB -1.399 30.374 31.823 -0.083 0.000 0.664 164 V HN 0.816 nan 8.190 nan 0.000 0.461 165 T N -2.974 111.508 114.554 -0.119 0.000 3.163 165 T HA 0.074 4.423 4.350 -0.001 0.000 0.260 165 T C 1.552 176.185 174.700 -0.111 0.000 1.156 165 T CA 1.376 63.416 62.100 -0.099 0.000 1.072 165 T CB -0.234 68.584 68.868 -0.083 0.000 0.937 165 T HN 0.552 nan 8.240 nan 0.000 0.528 166 I N -0.491 119.985 120.570 -0.157 0.000 3.445 166 I HA 0.225 4.394 4.170 -0.001 0.000 0.288 166 I C 1.963 178.001 176.117 -0.131 0.000 1.198 166 I CA 0.136 61.344 61.300 -0.152 0.000 1.417 166 I CB 0.139 38.004 38.000 -0.225 0.000 1.205 166 I HN 0.181 nan 8.210 nan 0.000 0.448 167 L N 0.885 122.025 121.223 -0.139 0.000 2.265 167 L HA -0.138 4.201 4.340 -0.001 0.000 0.215 167 L C 2.331 179.135 176.870 -0.110 0.000 1.117 167 L CA 1.176 55.943 54.840 -0.122 0.000 0.782 167 L CB -0.567 41.422 42.059 -0.117 0.000 0.914 167 L HN 0.262 nan 8.230 nan 0.000 0.441 168 S N -1.009 114.636 115.700 -0.093 0.000 2.603 168 S HA 0.065 4.534 4.470 -0.001 0.000 0.220 168 S C 1.506 176.078 174.600 -0.046 0.000 0.967 168 S CA 0.118 58.277 58.200 -0.069 0.000 0.920 168 S CB -0.017 63.149 63.200 -0.057 0.000 0.773 168 S HN 0.387 nan 8.310 nan 0.000 0.529 169 R N -0.054 120.414 120.500 -0.054 0.000 2.596 169 R HA 0.362 4.701 4.340 -0.001 0.000 0.369 169 R C -1.010 175.215 176.300 -0.125 0.000 1.042 169 R CA -0.079 56.014 56.100 -0.010 0.000 1.120 169 R CB 0.322 30.642 30.300 0.034 0.000 1.353 169 R HN 0.312 nan 8.270 nan 0.000 0.564 170 C N 1.436 120.637 119.300 -0.165 0.000 2.431 170 C HA 0.350 4.809 4.460 -0.001 0.000 0.321 170 C C -0.067 174.741 174.990 -0.304 0.000 1.202 170 C CA -1.120 57.756 59.018 -0.236 0.000 1.398 170 C CB 1.425 29.064 27.740 -0.169 0.000 2.047 170 C HN 0.338 nan 8.230 nan 0.000 0.465 171 L N 4.190 125.138 121.223 -0.457 0.000 2.456 171 L HA 0.238 4.577 4.340 -0.001 0.000 0.277 171 L C 0.378 176.871 176.870 -0.629 0.000 1.124 171 L CA 1.062 55.534 54.840 -0.613 0.000 0.880 171 L CB 0.107 41.575 42.059 -0.984 0.000 1.192 171 L HN 0.755 nan 8.230 nan 0.000 0.463 172 Q N 4.585 124.057 119.800 -0.547 0.000 2.314 172 Q HA 0.309 4.648 4.340 -0.001 0.000 0.259 172 Q C -1.587 174.109 176.000 -0.507 0.000 0.951 172 Q CA -0.587 54.965 55.803 -0.419 0.000 0.909 172 Q CB 0.787 29.389 28.738 -0.227 0.000 1.236 172 Q HN 0.557 nan 8.270 nan 0.000 0.444 173 F N 2.675 122.489 119.950 -0.226 0.000 2.404 173 F HA 0.224 4.750 4.527 -0.001 0.000 0.354 173 F C 0.029 175.875 175.800 0.077 0.000 1.122 173 F CA -0.658 57.293 58.000 -0.082 0.000 1.080 173 F CB 0.995 39.908 39.000 -0.146 0.000 1.131 173 F HN 0.601 nan 8.300 nan 0.000 0.471 174 H N 4.330 123.523 119.070 0.204 0.000 2.594 174 H HA 0.440 4.995 4.556 -0.001 0.000 0.304 174 H C -0.718 174.785 175.328 0.292 0.000 1.068 174 H CA -0.450 55.710 56.048 0.187 0.000 1.308 174 H CB 0.568 30.389 29.762 0.098 0.000 1.409 174 H HN 0.495 nan 8.280 nan 0.000 0.460 175 L N 5.014 126.145 121.223 -0.152 0.000 2.371 175 L HA 0.257 4.596 4.340 -0.001 0.000 0.272 175 L C 0.439 177.204 176.870 -0.175 0.000 1.124 175 L CA -0.362 54.440 54.840 -0.064 0.000 0.816 175 L CB 0.885 42.910 42.059 -0.056 0.000 1.129 175 L HN 0.622 nan 8.230 nan 0.000 0.448 176 K N 1.506 121.938 120.400 0.054 0.000 2.118 176 K HA 0.525 4.844 4.320 -0.001 0.000 0.264 176 K C -0.034 176.570 176.600 0.006 0.000 1.000 176 K CA -0.634 55.680 56.287 0.045 0.000 0.929 176 K CB 1.383 33.948 32.500 0.109 0.000 1.021 176 K HN 0.704 nan 8.250 nan 0.000 0.463 177 A N 2.628 125.455 122.820 0.011 0.000 2.483 177 A HA 0.163 4.482 4.320 -0.001 0.000 0.238 177 A C 0.020 177.610 177.584 0.009 0.000 1.070 177 A CA -0.204 51.837 52.037 0.006 0.000 0.770 177 A CB -0.088 18.922 19.000 0.015 0.000 1.008 177 A HN 0.602 nan 8.150 nan 0.000 0.497 178 L N 1.143 122.366 121.223 -0.001 0.000 2.399 178 L HA 0.295 4.634 4.340 -0.001 0.000 0.266 178 L C 0.304 177.174 176.870 0.001 0.000 1.114 178 L CA -0.626 54.213 54.840 -0.002 0.000 0.804 178 L CB 0.876 42.927 42.059 -0.014 0.000 1.146 178 L HN 0.865 nan 8.230 nan 0.000 0.451 179 D N -0.020 120.382 120.400 0.003 0.000 2.225 179 D HA 0.225 4.864 4.640 -0.001 0.000 0.249 179 D C 0.962 177.265 176.300 0.003 0.000 1.052 179 D CA -0.585 53.418 54.000 0.005 0.000 0.909 179 D CB 1.717 42.522 40.800 0.008 0.000 1.186 179 D HN 0.254 nan 8.370 nan 0.000 0.431 180 V N 2.173 122.089 119.914 0.004 0.000 2.242 180 V HA -0.328 3.791 4.120 -0.001 0.000 0.257 180 V C 2.207 178.306 176.094 0.008 0.000 1.073 180 V CA 2.486 64.787 62.300 0.003 0.000 1.058 180 V CB -1.155 30.671 31.823 0.003 0.000 0.664 180 V HN 0.723 nan 8.190 nan 0.000 0.451 181 E N 0.224 120.434 120.200 0.016 0.000 2.031 181 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 181 E C 2.281 178.911 176.600 0.050 0.000 0.994 181 E CA 1.826 58.246 56.400 0.034 0.000 0.800 181 E CB -0.505 29.218 29.700 0.038 0.000 0.752 181 E HN 0.704 nan 8.360 nan 0.000 0.447 182 Q N -0.123 119.693 119.800 0.026 0.000 2.118 182 Q HA -0.224 4.115 4.340 -0.001 0.000 0.211 182 Q C 2.450 178.462 176.000 0.020 0.000 0.998 182 Q CA 1.965 57.775 55.803 0.011 0.000 0.872 182 Q CB -0.369 28.363 28.738 -0.010 0.000 0.925 182 Q HN 0.418 nan 8.270 nan 0.000 0.414 183 I N -0.012 120.561 120.570 0.006 0.000 2.286 183 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 183 I C 2.722 178.831 176.117 -0.014 0.000 1.104 183 I CA 0.793 62.086 61.300 -0.012 0.000 1.397 183 I CB -0.285 37.703 38.000 -0.021 0.000 1.072 183 I HN 0.185 nan 8.210 nan 0.000 0.417 184 R N 0.064 120.561 120.500 -0.004 0.000 2.091 184 R HA -0.245 4.094 4.340 -0.001 0.000 0.238 184 R C 2.535 178.816 176.300 -0.031 0.000 1.136 184 R CA 1.603 57.687 56.100 -0.028 0.000 0.959 184 R CB -0.459 29.829 30.300 -0.018 0.000 0.856 184 R HN 0.429 nan 8.270 nan 0.000 0.437 185 H N 0.366 119.402 119.070 -0.057 0.000 2.321 185 H HA -0.164 4.391 4.556 -0.001 0.000 0.300 185 H C 1.904 177.198 175.328 -0.056 0.000 1.087 185 H CA 2.228 58.248 56.048 -0.046 0.000 1.319 185 H CB 0.095 29.843 29.762 -0.023 0.000 1.379 185 H HN 0.238 nan 8.280 nan 0.000 0.501 186 Q N 0.427 120.301 119.800 0.122 0.000 2.224 186 Q HA -0.036 4.303 4.340 -0.001 0.000 0.203 186 Q C 2.640 178.561 176.000 -0.132 0.000 0.970 186 Q CA 0.825 56.627 55.803 -0.001 0.000 0.865 186 Q CB -0.200 28.498 28.738 -0.065 0.000 0.922 186 Q HN 0.449 nan 8.270 nan 0.000 0.445 187 L N 0.106 121.248 121.223 -0.135 0.000 1.994 187 L HA -0.210 4.129 4.340 -0.001 0.000 0.208 187 L C 2.455 179.159 176.870 -0.276 0.000 1.071 187 L CA 2.108 56.826 54.840 -0.203 0.000 0.745 187 L CB -0.690 41.268 42.059 -0.169 0.000 0.892 187 L HN 0.443 nan 8.230 nan 0.000 0.431 188 E N -0.634 119.395 120.200 -0.284 0.000 2.049 188 E HA -0.325 4.024 4.350 -0.001 0.000 0.198 188 E C 2.255 178.706 176.600 -0.249 0.000 1.007 188 E CA 1.608 57.784 56.400 -0.373 0.000 0.809 188 E CB -0.131 29.375 29.700 -0.322 0.000 0.749 188 E HN 0.371 nan 8.360 nan 0.000 0.450 189 H N 0.901 119.808 119.070 -0.272 0.000 2.261 189 H HA -0.214 4.341 4.556 -0.001 0.000 0.290 189 H C 2.224 177.331 175.328 -0.368 0.000 1.081 189 H CA 2.398 58.305 56.048 -0.235 0.000 1.196 189 H CB -0.707 28.960 29.762 -0.159 0.000 1.350 189 H HN 0.271 nan 8.280 nan 0.000 0.498 190 I N 0.476 120.848 120.570 -0.331 0.000 2.091 190 I HA -0.335 3.834 4.170 -0.001 0.000 0.239 190 I C 3.059 178.928 176.117 -0.413 0.000 1.061 190 I CA 1.233 62.029 61.300 -0.841 0.000 1.317 190 I CB -0.469 36.826 38.000 -1.175 0.000 1.031 190 I HN 0.224 nan 8.210 nan 0.000 0.401 191 L N 0.424 121.467 121.223 -0.299 0.000 2.051 191 L HA -0.299 4.040 4.340 -0.001 0.000 0.214 191 L C 2.432 179.274 176.870 -0.047 0.000 1.076 191 L CA 1.546 56.298 54.840 -0.147 0.000 0.758 191 L CB -0.851 41.090 42.059 -0.195 0.000 0.890 191 L HN 0.410 nan 8.230 nan 0.000 0.433 192 N N -0.041 118.615 118.700 -0.074 0.000 2.043 192 N HA -0.231 4.508 4.740 -0.001 0.000 0.193 192 N C 1.798 177.195 175.510 -0.189 0.000 1.037 192 N CA 1.402 54.409 53.050 -0.072 0.000 0.851 192 N CB -0.238 38.198 38.487 -0.086 0.000 1.027 192 N HN 0.258 nan 8.380 nan 0.000 0.422 193 E N 1.219 121.366 120.200 -0.088 0.000 2.085 193 E HA -0.130 4.219 4.350 -0.001 0.000 0.194 193 E C 1.342 177.984 176.600 0.069 0.000 0.994 193 E CA 1.102 57.515 56.400 0.022 0.000 0.801 193 E CB -0.033 29.908 29.700 0.402 0.000 0.743 193 E HN 0.320 nan 8.360 nan 0.000 0.453 194 E N -0.122 120.177 120.200 0.166 0.000 2.472 194 E HA -0.128 4.221 4.350 -0.001 0.000 0.200 194 E C -0.378 176.365 176.600 0.239 0.000 1.046 194 E CA 0.548 57.088 56.400 0.233 0.000 0.871 194 E CB -0.200 29.630 29.700 0.218 0.000 0.806 194 E HN 0.423 nan 8.360 nan 0.000 0.533 195 H N -0.781 118.351 119.070 0.105 0.000 3.006 195 H HA -0.148 4.407 4.556 -0.001 0.000 0.340 195 H C -0.380 174.987 175.328 0.065 0.000 1.118 195 H CA 0.650 56.742 56.048 0.073 0.000 1.110 195 H CB -1.839 27.958 29.762 0.059 0.000 1.608 195 H HN 0.156 nan 8.280 nan 0.000 0.395 196 I N 0.643 121.296 120.570 0.138 0.000 2.607 196 I HA 0.440 4.609 4.170 -0.001 0.000 0.290 196 I C 0.434 176.622 176.117 0.119 0.000 1.129 196 I CA -0.673 60.696 61.300 0.116 0.000 1.042 196 I CB 2.021 40.081 38.000 0.100 0.000 1.242 196 I HN 0.493 nan 8.210 nan 0.000 0.421 197 A N 4.836 127.691 122.820 0.059 0.000 2.440 197 A HA 0.543 4.863 4.320 -0.001 0.000 0.251 197 A C -0.643 176.958 177.584 0.029 0.000 1.089 197 A CA 0.412 52.438 52.037 -0.018 0.000 0.779 197 A CB -0.335 18.650 19.000 -0.024 0.000 1.022 197 A HN 0.891 nan 8.150 nan 0.000 0.492 198 H N -0.515 118.544 119.070 -0.019 0.000 3.038 198 H HA 0.627 5.183 4.556 -0.001 0.000 0.362 198 H C -1.067 174.245 175.328 -0.027 0.000 1.167 198 H CA -0.857 55.176 56.048 -0.026 0.000 1.197 198 H CB 0.632 30.371 29.762 -0.038 0.000 1.840 198 H HN 0.572 nan 8.280 nan 0.000 0.540 199 E N 3.303 123.556 120.200 0.088 0.000 2.319 199 E HA 0.140 4.489 4.350 -0.001 0.000 0.268 199 E C -1.671 175.004 176.600 0.124 0.000 1.050 199 E CA -2.100 54.331 56.400 0.051 0.000 0.878 199 E CB 1.153 30.867 29.700 0.023 0.000 1.066 199 E HN 0.520 nan 8.360 nan 0.000 0.406 200 P HA -0.227 nan 4.420 nan 0.000 0.214 200 P C 1.272 178.592 177.300 0.034 0.000 1.163 200 P CA 1.393 64.532 63.100 0.065 0.000 0.883 200 P CB 0.177 31.894 31.700 0.028 0.000 0.788 201 R N -0.121 120.392 120.500 0.021 0.000 2.148 201 R HA -0.008 4.331 4.340 -0.001 0.000 0.227 201 R C 2.305 178.609 176.300 0.007 0.000 1.103 201 R CA 1.116 57.222 56.100 0.009 0.000 0.983 201 R CB -0.659 29.645 30.300 0.006 0.000 0.874 201 R HN 0.047 nan 8.270 nan 0.000 0.451 202 A N 1.250 124.079 122.820 0.016 0.000 1.917 202 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 202 A C 2.120 179.701 177.584 -0.006 0.000 1.182 202 A CA 1.341 53.384 52.037 0.011 0.000 0.633 202 A CB -0.518 18.498 19.000 0.026 0.000 0.819 202 A HN 0.325 nan 8.150 nan 0.000 0.448 203 L N -1.297 119.917 121.223 -0.014 0.000 2.056 203 L HA -0.191 4.149 4.340 -0.001 0.000 0.207 203 L C 2.857 179.704 176.870 -0.038 0.000 1.078 203 L CA 1.610 56.419 54.840 -0.051 0.000 0.749 203 L CB -0.646 41.354 42.059 -0.098 0.000 0.901 203 L HN 0.530 nan 8.230 nan 0.000 0.433 204 Q N 0.426 120.212 119.800 -0.024 0.000 2.226 204 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 204 Q C 2.335 178.327 176.000 -0.014 0.000 0.975 204 Q CA 1.203 56.995 55.803 -0.017 0.000 0.866 204 Q CB 0.068 28.800 28.738 -0.009 0.000 0.915 204 Q HN 0.542 nan 8.270 nan 0.000 0.440 205 L N -0.004 121.212 121.223 -0.012 0.000 2.109 205 L HA -0.159 4.180 4.340 -0.001 0.000 0.207 205 L C 2.223 179.084 176.870 -0.014 0.000 1.086 205 L CA 0.529 55.363 54.840 -0.010 0.000 0.760 205 L CB -0.114 41.941 42.059 -0.007 0.000 0.910 205 L HN 0.303 nan 8.230 nan 0.000 0.437 206 L N -0.837 120.373 121.223 -0.021 0.000 1.988 206 L HA -0.182 4.157 4.340 -0.001 0.000 0.207 206 L C 2.859 179.713 176.870 -0.025 0.000 1.071 206 L CA 1.236 56.061 54.840 -0.026 0.000 0.744 206 L CB -0.700 41.337 42.059 -0.037 0.000 0.893 206 L HN 0.225 nan 8.230 nan 0.000 0.433 207 A N 0.102 122.904 122.820 -0.029 0.000 1.892 207 A HA -0.315 4.004 4.320 -0.001 0.000 0.218 207 A C 2.304 179.879 177.584 -0.015 0.000 1.188 207 A CA 2.241 54.264 52.037 -0.024 0.000 0.631 207 A CB -0.610 18.376 19.000 -0.023 0.000 0.822 207 A HN 0.298 nan 8.150 nan 0.000 0.447 208 R N -0.041 120.452 120.500 -0.012 0.000 2.091 208 R HA -0.088 4.251 4.340 -0.001 0.000 0.238 208 R C 2.120 178.415 176.300 -0.008 0.000 1.136 208 R CA 2.014 58.110 56.100 -0.008 0.000 0.959 208 R CB -0.826 29.471 30.300 -0.006 0.000 0.856 208 R HN 0.442 nan 8.270 nan 0.000 0.437 209 A N -0.325 122.489 122.820 -0.010 0.000 2.066 209 A HA 0.114 4.434 4.320 -0.001 0.000 0.218 209 A C 2.185 179.763 177.584 -0.011 0.000 1.157 209 A CA 1.231 53.263 52.037 -0.010 0.000 0.670 209 A CB -0.646 18.348 19.000 -0.011 0.000 0.804 209 A HN 0.443 nan 8.150 nan 0.000 0.453 210 A N -0.722 122.090 122.820 -0.013 0.000 2.070 210 A HA 0.027 4.346 4.320 -0.001 0.000 0.220 210 A C 0.867 178.445 177.584 -0.009 0.000 1.159 210 A CA 1.101 53.130 52.037 -0.013 0.000 0.656 210 A CB -0.456 18.533 19.000 -0.018 0.000 0.800 210 A HN 0.602 nan 8.150 nan 0.000 0.453 211 E N -2.690 117.506 120.200 -0.007 0.000 2.252 211 E HA -0.217 4.133 4.350 -0.001 0.000 0.218 211 E C 0.828 177.426 176.600 -0.003 0.000 1.253 211 E CA 0.399 56.796 56.400 -0.004 0.000 0.705 211 E CB -1.815 27.883 29.700 -0.003 0.000 1.172 211 E HN 1.488 nan 8.360 nan 0.000 0.369 212 G N -0.349 108.449 108.800 -0.004 0.000 2.179 212 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.260 212 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.260 212 G C 0.153 175.048 174.900 -0.008 0.000 0.977 212 G CA 0.413 45.511 45.100 -0.003 0.000 0.641 212 G HN 0.701 nan 8.290 nan 0.000 0.533 213 S N -0.200 115.494 115.700 -0.011 0.000 2.456 213 S HA 0.592 5.062 4.470 -0.001 0.000 0.316 213 S C 1.096 175.685 174.600 -0.019 0.000 1.089 213 S CA -0.425 57.766 58.200 -0.014 0.000 1.101 213 S CB 1.122 64.317 63.200 -0.010 0.000 0.995 213 S HN 0.619 nan 8.310 nan 0.000 0.468 214 L N 5.511 126.719 121.223 -0.025 0.000 2.362 214 L HA 0.229 4.568 4.340 -0.001 0.000 0.219 214 L C 2.160 179.014 176.870 -0.026 0.000 1.134 214 L CA 1.478 56.299 54.840 -0.031 0.000 0.807 214 L CB -0.748 41.288 42.059 -0.038 0.000 0.927 214 L HN 0.777 nan 8.230 nan 0.000 0.447 215 R N -0.655 119.834 120.500 -0.018 0.000 2.052 215 R HA -0.088 4.251 4.340 -0.001 0.000 0.224 215 R C 1.740 178.034 176.300 -0.011 0.000 1.149 215 R CA 1.393 57.487 56.100 -0.011 0.000 0.962 215 R CB -0.117 30.180 30.300 -0.005 0.000 0.856 215 R HN 0.239 nan 8.270 nan 0.000 0.433 216 D N 0.442 120.835 120.400 -0.010 0.000 2.239 216 D HA -0.205 4.435 4.640 -0.001 0.000 0.202 216 D C 1.502 177.793 176.300 -0.015 0.000 0.993 216 D CA 1.500 55.494 54.000 -0.010 0.000 0.874 216 D CB -0.022 40.773 40.800 -0.009 0.000 0.922 216 D HN 0.426 nan 8.370 nan 0.000 0.464 217 A N 0.118 122.926 122.820 -0.021 0.000 1.840 217 A HA -0.050 4.269 4.320 -0.001 0.000 0.214 217 A C 2.141 179.705 177.584 -0.034 0.000 1.198 217 A CA 0.723 52.742 52.037 -0.030 0.000 0.608 217 A CB -0.749 18.228 19.000 -0.039 0.000 0.839 217 A HN 0.191 nan 8.150 nan 0.000 0.443 218 L N -0.227 120.976 121.223 -0.034 0.000 2.131 218 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 218 L C 2.756 179.619 176.870 -0.012 0.000 1.092 218 L CA 1.244 56.066 54.840 -0.031 0.000 0.759 218 L CB -0.400 41.648 42.059 -0.017 0.000 0.903 218 L HN 0.318 nan 8.230 nan 0.000 0.435 219 S N -0.049 115.648 115.700 -0.007 0.000 2.368 219 S HA -0.070 4.399 4.470 -0.001 0.000 0.224 219 S C 1.956 176.553 174.600 -0.005 0.000 1.029 219 S CA 0.973 59.173 58.200 -0.001 0.000 0.988 219 S CB -0.146 63.054 63.200 0.000 0.000 0.838 219 S HN 0.301 nan 8.310 nan 0.000 0.462 220 L N 0.894 122.111 121.223 -0.011 0.000 2.201 220 L HA -0.103 4.237 4.340 -0.001 0.000 0.212 220 L C 2.450 179.312 176.870 -0.014 0.000 1.105 220 L CA 1.014 55.846 54.840 -0.012 0.000 0.775 220 L CB -0.646 41.404 42.059 -0.016 0.000 0.913 220 L HN 0.333 nan 8.230 nan 0.000 0.440 221 T N -1.413 113.129 114.554 -0.020 0.000 2.809 221 T HA -0.136 4.213 4.350 -0.001 0.000 0.260 221 T C 1.409 176.104 174.700 -0.008 0.000 1.039 221 T CA 1.019 63.105 62.100 -0.023 0.000 1.141 221 T CB -0.123 68.717 68.868 -0.046 0.000 0.869 221 T HN 0.257 nan 8.240 nan 0.000 0.437 222 D N 1.147 121.546 120.400 -0.001 0.000 2.116 222 D HA -0.147 4.492 4.640 -0.001 0.000 0.193 222 D C 2.174 178.480 176.300 0.010 0.000 0.998 222 D CA 1.290 55.297 54.000 0.012 0.000 0.836 222 D CB -0.366 40.445 40.800 0.019 0.000 0.951 222 D HN 0.477 nan 8.370 nan 0.000 0.449 223 Q N 0.355 120.158 119.800 0.005 0.000 2.084 223 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 223 Q C 2.021 178.023 176.000 0.004 0.000 0.978 223 Q CA 1.813 57.619 55.803 0.004 0.000 0.844 223 Q CB -0.115 28.623 28.738 0.001 0.000 0.898 223 Q HN 0.198 nan 8.270 nan 0.000 0.426 224 A N 1.291 124.112 122.820 0.001 0.000 1.852 224 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 224 A C 2.042 179.630 177.584 0.008 0.000 1.215 224 A CA 2.007 54.045 52.037 0.002 0.000 0.641 224 A CB -1.224 17.774 19.000 -0.003 0.000 0.838 224 A HN 0.550 nan 8.150 nan 0.000 0.450 225 I N -0.200 120.377 120.570 0.011 0.000 2.227 225 I HA -0.422 3.747 4.170 -0.001 0.000 0.250 225 I C 2.864 178.992 176.117 0.018 0.000 1.087 225 I CA 1.444 62.755 61.300 0.018 0.000 1.352 225 I CB -0.436 37.578 38.000 0.023 0.000 1.043 225 I HN 0.446 nan 8.210 nan 0.000 0.425 226 A N 0.102 122.931 122.820 0.014 0.000 1.855 226 A HA -0.186 4.133 4.320 -0.001 0.000 0.215 226 A C 2.470 180.060 177.584 0.011 0.000 1.191 226 A CA 2.136 54.181 52.037 0.013 0.000 0.613 226 A CB -0.836 18.170 19.000 0.011 0.000 0.829 226 A HN 0.414 nan 8.150 nan 0.000 0.442 227 S N -0.291 115.414 115.700 0.008 0.000 2.400 227 S HA -0.048 4.421 4.470 -0.001 0.000 0.232 227 S C 1.723 176.327 174.600 0.008 0.000 1.025 227 S CA 1.051 59.255 58.200 0.007 0.000 0.993 227 S CB -0.411 62.792 63.200 0.005 0.000 0.808 227 S HN 0.767 nan 8.310 nan 0.000 0.478 228 G N 0.338 109.144 108.800 0.010 0.000 3.233 228 G HA2 0.160 4.119 3.960 -0.001 0.000 0.227 228 G HA3 0.160 4.119 3.960 -0.001 0.000 0.227 228 G C -0.134 174.774 174.900 0.012 0.000 1.175 228 G CA -0.173 44.934 45.100 0.011 0.000 0.781 228 G HN 0.308 nan 8.290 nan 0.000 0.542 229 D N -0.418 119.989 120.400 0.013 0.000 2.697 229 D HA -0.152 4.487 4.640 -0.001 0.000 0.238 229 D C 1.558 177.868 176.300 0.017 0.000 1.152 229 D CA 1.708 55.716 54.000 0.014 0.000 0.666 229 D CB -1.318 39.489 40.800 0.011 0.000 1.037 229 D HN 0.972 nan 8.370 nan 0.000 0.423 230 G N -0.438 108.375 108.800 0.022 0.000 2.175 230 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.244 230 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.244 230 G C 0.181 175.100 174.900 0.032 0.000 0.982 230 G CA 0.432 45.550 45.100 0.029 0.000 0.641 230 G HN 0.532 nan 8.290 nan 0.000 0.527 231 Q N -0.330 119.486 119.800 0.027 0.000 2.337 231 Q HA 0.575 4.914 4.340 -0.001 0.000 0.266 231 Q C -0.500 175.519 176.000 0.032 0.000 1.023 231 Q CA -0.734 55.086 55.803 0.028 0.000 0.829 231 Q CB 2.692 31.441 28.738 0.017 0.000 1.306 231 Q HN 0.142 nan 8.270 nan 0.000 0.449 232 V N 3.036 122.979 119.914 0.047 0.000 2.218 232 V HA 0.135 4.254 4.120 -0.001 0.000 0.261 232 V C -0.012 176.109 176.094 0.045 0.000 1.142 232 V CA -0.260 62.068 62.300 0.046 0.000 0.965 232 V CB 0.092 31.949 31.823 0.057 0.000 1.190 232 V HN 0.734 nan 8.190 nan 0.000 0.478 233 S N 2.021 117.737 115.700 0.026 0.000 2.646 233 S HA 0.325 4.794 4.470 -0.001 0.000 0.276 233 S C 1.165 175.774 174.600 0.015 0.000 1.222 233 S CA -0.413 57.798 58.200 0.019 0.000 1.014 233 S CB 1.600 64.806 63.200 0.010 0.000 0.991 233 S HN 0.475 nan 8.310 nan 0.000 0.533 234 T N 1.667 116.229 114.554 0.012 0.000 2.867 234 T HA -0.108 4.241 4.350 -0.001 0.000 0.268 234 T C 1.749 176.452 174.700 0.005 0.000 1.057 234 T CA 1.574 63.678 62.100 0.008 0.000 1.136 234 T CB -0.408 68.464 68.868 0.007 0.000 0.874 234 T HN 0.754 nan 8.240 nan 0.000 0.466 235 Q N 0.790 120.593 119.800 0.005 0.000 2.291 235 Q HA 0.058 4.397 4.340 -0.001 0.000 0.206 235 Q C 2.286 178.288 176.000 0.004 0.000 0.976 235 Q CA 1.288 57.093 55.803 0.003 0.000 0.875 235 Q CB -0.208 28.531 28.738 0.003 0.000 0.927 235 Q HN 0.554 nan 8.270 nan 0.000 0.450 236 A N 0.061 122.884 122.820 0.005 0.000 1.969 236 A HA 0.086 4.405 4.320 -0.001 0.000 0.205 236 A C 2.217 179.803 177.584 0.004 0.000 1.364 236 A CA 0.123 52.163 52.037 0.005 0.000 0.756 236 A CB -0.281 18.723 19.000 0.007 0.000 0.988 236 A HN 0.128 nan 8.150 nan 0.000 0.490 237 V N 1.418 121.334 119.914 0.004 0.000 2.343 237 V HA -0.257 3.862 4.120 -0.001 0.000 0.247 237 V C 3.036 179.129 176.094 -0.000 0.000 1.051 237 V CA 2.495 64.795 62.300 0.001 0.000 1.036 237 V CB -0.917 30.907 31.823 0.000 0.000 0.654 237 V HN 0.795 nan 8.190 nan 0.000 0.451 238 S N 1.331 117.031 115.700 0.000 0.000 2.368 238 S HA -0.311 4.158 4.470 -0.001 0.000 0.226 238 S C 2.124 176.724 174.600 -0.001 0.000 1.044 238 S CA 2.144 60.344 58.200 -0.000 0.000 1.062 238 S CB -0.716 62.484 63.200 0.001 0.000 0.931 238 S HN 0.642 nan 8.310 nan 0.000 0.440 239 A N 2.283 125.103 122.820 0.000 0.000 1.859 239 A HA -0.083 4.236 4.320 -0.001 0.000 0.217 239 A C 2.485 180.068 177.584 -0.001 0.000 1.198 239 A CA 2.109 54.146 52.037 0.000 0.000 0.629 239 A CB -1.024 17.977 19.000 0.001 0.000 0.830 239 A HN 0.717 nan 8.150 nan 0.000 0.446 240 M N -0.656 118.943 119.600 -0.001 0.000 2.279 240 M HA -0.041 4.438 4.480 -0.001 0.000 0.264 240 M C 1.563 177.861 176.300 -0.005 0.000 1.062 240 M CA 1.411 56.709 55.300 -0.003 0.000 1.099 240 M CB -0.257 32.342 32.600 -0.002 0.000 1.394 240 M HN 0.432 nan 8.290 nan 0.000 0.426 241 L N -0.868 120.352 121.223 -0.005 0.000 2.341 241 L HA 0.025 4.364 4.340 -0.001 0.000 0.214 241 L C 2.480 179.346 176.870 -0.007 0.000 1.115 241 L CA 0.752 55.588 54.840 -0.006 0.000 0.820 241 L CB -0.831 41.224 42.059 -0.006 0.000 0.944 241 L HN 0.419 nan 8.230 nan 0.000 0.452 242 G N -0.691 108.106 108.800 -0.005 0.000 2.421 242 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.217 242 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.217 242 G C 1.538 176.434 174.900 -0.007 0.000 1.143 242 G CA 0.935 46.032 45.100 -0.005 0.000 0.784 242 G HN 0.204 nan 8.290 nan 0.000 0.541 243 T N 1.184 115.734 114.554 -0.007 0.000 2.685 243 T HA -0.103 4.246 4.350 -0.001 0.000 0.268 243 T C 1.786 176.478 174.700 -0.013 0.000 1.034 243 T CA 0.882 62.977 62.100 -0.009 0.000 1.149 243 T CB -0.162 68.701 68.868 -0.007 0.000 0.860 243 T HN 0.153 nan 8.240 nan 0.000 0.449 244 L N 0.869 122.085 121.223 -0.013 0.000 2.928 244 L HA 0.271 4.610 4.340 -0.001 0.000 0.246 244 L C -0.241 176.619 176.870 -0.017 0.000 1.239 244 L CA -0.354 54.477 54.840 -0.015 0.000 1.035 244 L CB 0.240 42.291 42.059 -0.013 0.000 1.360 244 L HN -0.041 nan 8.230 nan 0.000 0.529 245 D N 0.758 121.147 120.400 -0.018 0.000 2.338 245 D HA 0.002 4.641 4.640 -0.001 0.000 0.255 245 D C 0.891 177.176 176.300 -0.025 0.000 1.237 245 D CA 0.135 54.124 54.000 -0.018 0.000 0.883 245 D CB 1.284 42.075 40.800 -0.014 0.000 1.087 245 D HN 0.027 nan 8.370 nan 0.000 0.485 246 D N 1.447 121.833 120.400 -0.022 0.000 2.265 246 D HA -0.171 4.468 4.640 -0.001 0.000 0.208 246 D C 1.351 177.637 176.300 -0.024 0.000 0.977 246 D CA 0.760 54.745 54.000 -0.025 0.000 0.871 246 D CB 0.335 41.124 40.800 -0.019 0.000 0.925 246 D HN 0.423 nan 8.370 nan 0.000 0.485 247 D N 0.275 120.664 120.400 -0.018 0.000 2.183 247 D HA -0.118 4.521 4.640 -0.001 0.000 0.203 247 D C 1.694 177.988 176.300 -0.010 0.000 0.969 247 D CA 0.655 54.648 54.000 -0.012 0.000 0.842 247 D CB 0.092 40.887 40.800 -0.009 0.000 0.957 247 D HN 0.017 nan 8.370 nan 0.000 0.484 248 Q N -0.025 119.768 119.800 -0.011 0.000 2.268 248 Q HA -0.105 4.234 4.340 -0.001 0.000 0.210 248 Q C 1.931 177.934 176.000 0.006 0.000 0.988 248 Q CA 1.689 57.492 55.803 -0.000 0.000 0.883 248 Q CB -0.386 28.354 28.738 0.004 0.000 0.911 248 Q HN 0.356 nan 8.270 nan 0.000 0.430 249 A N -0.328 122.491 122.820 -0.000 0.000 1.935 249 A HA -0.017 4.303 4.320 -0.001 0.000 0.214 249 A C 1.889 179.470 177.584 -0.004 0.000 1.178 249 A CA 0.725 52.763 52.037 0.003 0.000 0.640 249 A CB -0.421 18.579 19.000 0.000 0.000 0.825 249 A HN 0.362 nan 8.150 nan 0.000 0.447 250 L N -0.395 120.826 121.223 -0.004 0.000 2.056 250 L HA -0.042 4.297 4.340 -0.001 0.000 0.207 250 L C 2.389 179.253 176.870 -0.009 0.000 1.078 250 L CA 2.503 57.340 54.840 -0.004 0.000 0.749 250 L CB -0.742 41.317 42.059 -0.001 0.000 0.901 250 L HN 0.249 nan 8.230 nan 0.000 0.433 251 S N -0.900 114.796 115.700 -0.008 0.000 2.383 251 S HA -0.068 4.401 4.470 -0.001 0.000 0.227 251 S C 1.943 176.533 174.600 -0.016 0.000 1.026 251 S CA 1.201 59.395 58.200 -0.009 0.000 0.981 251 S CB -0.317 62.880 63.200 -0.004 0.000 0.818 251 S HN 0.480 nan 8.310 nan 0.000 0.472 252 L N 0.466 121.680 121.223 -0.014 0.000 2.093 252 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 252 L C 2.287 179.123 176.870 -0.057 0.000 1.085 252 L CA 0.801 55.626 54.840 -0.024 0.000 0.755 252 L CB -0.414 41.642 42.059 -0.005 0.000 0.904 252 L HN 0.221 nan 8.230 nan 0.000 0.435 253 V N 0.027 119.906 119.914 -0.059 0.000 2.261 253 V HA -0.293 3.827 4.120 -0.001 0.000 0.246 253 V C 2.324 178.360 176.094 -0.096 0.000 1.047 253 V CA 1.814 64.057 62.300 -0.096 0.000 1.015 253 V CB -0.294 31.491 31.823 -0.063 0.000 0.642 253 V HN 0.461 nan 8.190 nan 0.000 0.446 254 E N 0.168 120.337 120.200 -0.051 0.000 2.048 254 E HA -0.317 4.032 4.350 -0.001 0.000 0.202 254 E C 2.265 178.836 176.600 -0.048 0.000 1.021 254 E CA 1.685 58.064 56.400 -0.036 0.000 0.825 254 E CB -0.459 29.231 29.700 -0.017 0.000 0.756 254 E HN 0.602 nan 8.360 nan 0.000 0.454 255 A N 1.084 123.874 122.820 -0.050 0.000 1.978 255 A HA -0.235 4.084 4.320 -0.001 0.000 0.220 255 A C 2.107 179.636 177.584 -0.092 0.000 1.170 255 A CA 1.815 53.819 52.037 -0.056 0.000 0.636 255 A CB -0.536 18.439 19.000 -0.041 0.000 0.810 255 A HN 0.340 nan 8.150 nan 0.000 0.448 256 M N -0.782 118.741 119.600 -0.128 0.000 2.160 256 M HA -0.064 4.415 4.480 -0.001 0.000 0.264 256 M C 1.927 178.090 176.300 -0.229 0.000 1.073 256 M CA 1.765 56.950 55.300 -0.191 0.000 1.142 256 M CB -0.181 32.278 32.600 -0.236 0.000 1.358 256 M HN 0.158 nan 8.290 nan 0.000 0.422 257 V N 1.419 121.214 119.914 -0.198 0.000 2.332 257 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 257 V C 1.705 177.861 176.094 0.104 0.000 1.055 257 V CA 2.167 64.474 62.300 0.013 0.000 1.038 257 V CB -0.828 31.001 31.823 0.009 0.000 0.651 257 V HN 0.557 nan 8.190 nan 0.000 0.450 258 E N -0.400 119.801 120.200 0.002 0.000 2.516 258 E HA 0.189 4.539 4.350 -0.001 0.000 0.199 258 E C 1.427 177.993 176.600 -0.055 0.000 1.069 258 E CA 0.578 56.983 56.400 0.007 0.000 0.876 258 E CB -0.169 29.530 29.700 -0.001 0.000 0.843 258 E HN 0.585 nan 8.360 nan 0.000 0.530 259 A N 0.889 123.586 122.820 -0.206 0.000 3.396 259 A HA -0.281 4.038 4.320 -0.001 0.000 0.267 259 A C 0.603 178.099 177.584 -0.146 0.000 1.139 259 A CA 1.007 52.868 52.037 -0.295 0.000 1.115 259 A CB -2.206 16.675 19.000 -0.198 0.000 1.133 259 A HN 0.371 nan 8.150 nan 0.000 0.920 260 N N 0.700 119.343 118.700 -0.096 0.000 2.605 260 N HA 0.389 5.128 4.740 -0.001 0.000 0.282 260 N C 1.393 176.872 175.510 -0.052 0.000 1.206 260 N CA 1.135 54.151 53.050 -0.057 0.000 1.074 260 N CB -0.014 38.450 38.487 -0.039 0.000 1.434 260 N HN 0.517 nan 8.380 nan 0.000 0.506 261 G N 1.255 110.026 108.800 -0.049 0.000 2.448 261 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.219 261 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.219 261 G C 1.352 176.238 174.900 -0.023 0.000 1.127 261 G CA 0.693 45.771 45.100 -0.037 0.000 0.766 261 G HN 0.597 nan 8.290 nan 0.000 0.552 262 E N 0.582 120.771 120.200 -0.019 0.000 2.028 262 E HA -0.066 4.283 4.350 -0.001 0.000 0.190 262 E C 2.393 178.987 176.600 -0.010 0.000 0.984 262 E CA 0.966 57.359 56.400 -0.011 0.000 0.800 262 E CB -0.359 29.336 29.700 -0.008 0.000 0.758 262 E HN 0.358 nan 8.360 nan 0.000 0.448 263 R N -0.101 120.391 120.500 -0.014 0.000 2.096 263 R HA -0.088 4.251 4.340 -0.001 0.000 0.235 263 R C 2.174 178.467 176.300 -0.012 0.000 1.127 263 R CA 1.330 57.423 56.100 -0.011 0.000 0.968 263 R CB -0.167 30.125 30.300 -0.014 0.000 0.861 263 R HN 0.189 nan 8.270 nan 0.000 0.440 264 V N 0.672 120.573 119.914 -0.021 0.000 2.307 264 V HA -0.251 3.868 4.120 -0.001 0.000 0.245 264 V C 2.295 178.385 176.094 -0.007 0.000 1.045 264 V CA 1.528 63.816 62.300 -0.021 0.000 1.024 264 V CB -0.243 31.558 31.823 -0.037 0.000 0.651 264 V HN 0.368 nan 8.190 nan 0.000 0.449 265 M N -0.696 118.899 119.600 -0.008 0.000 2.506 265 M HA 0.083 4.562 4.480 -0.001 0.000 0.260 265 M C 2.200 178.506 176.300 0.011 0.000 1.104 265 M CA 1.357 56.654 55.300 -0.004 0.000 1.112 265 M CB -0.989 31.604 32.600 -0.012 0.000 1.401 265 M HN 0.412 nan 8.290 nan 0.000 0.473 266 A N 0.447 123.274 122.820 0.011 0.000 1.898 266 A HA -0.018 4.301 4.320 -0.001 0.000 0.214 266 A C 2.194 179.796 177.584 0.030 0.000 1.183 266 A CA 0.820 52.868 52.037 0.018 0.000 0.622 266 A CB -0.601 18.405 19.000 0.010 0.000 0.824 266 A HN 0.407 nan 8.150 nan 0.000 0.444 267 L N -0.541 120.699 121.223 0.028 0.000 2.083 267 L HA -0.138 4.201 4.340 -0.001 0.000 0.209 267 L C 2.409 179.326 176.870 0.078 0.000 1.083 267 L CA 1.133 55.997 54.840 0.039 0.000 0.752 267 L CB -0.451 41.624 42.059 0.027 0.000 0.899 267 L HN 0.378 nan 8.230 nan 0.000 0.433 268 I N -0.082 120.542 120.570 0.090 0.000 2.454 268 I HA -0.298 3.871 4.170 -0.001 0.000 0.254 268 I C 2.308 178.554 176.117 0.215 0.000 1.156 268 I CA 0.929 62.329 61.300 0.167 0.000 1.433 268 I CB -0.227 37.815 38.000 0.070 0.000 1.082 268 I HN 0.361 nan 8.210 nan 0.000 0.432 269 N N 0.646 119.419 118.700 0.121 0.000 2.250 269 N HA -0.195 4.544 4.740 -0.001 0.000 0.181 269 N C 1.756 177.322 175.510 0.093 0.000 1.017 269 N CA 1.035 54.151 53.050 0.110 0.000 0.866 269 N CB 0.066 38.590 38.487 0.062 0.000 0.985 269 N HN 0.393 nan 8.380 nan 0.000 0.429 270 E N 0.314 120.554 120.200 0.067 0.000 2.153 270 E HA -0.102 4.247 4.350 -0.001 0.000 0.194 270 E C 1.621 178.237 176.600 0.027 0.000 0.988 270 E CA 1.118 57.541 56.400 0.038 0.000 0.811 270 E CB -0.012 29.703 29.700 0.025 0.000 0.746 270 E HN 0.331 nan 8.360 nan 0.000 0.466 271 A N 0.696 123.550 122.820 0.058 0.000 1.968 271 A HA 0.091 4.410 4.320 -0.001 0.000 0.217 271 A C 2.317 179.838 177.584 -0.105 0.000 1.169 271 A CA 1.242 53.266 52.037 -0.021 0.000 0.638 271 A CB -0.471 18.553 19.000 0.039 0.000 0.812 271 A HN 0.401 nan 8.150 nan 0.000 0.446 272 A N 0.008 122.871 122.820 0.072 0.000 1.929 272 A HA 0.256 4.575 4.320 -0.001 0.000 0.216 272 A C 2.452 180.036 177.584 -0.000 0.000 1.176 272 A CA 1.704 53.788 52.037 0.079 0.000 0.628 272 A CB -0.908 18.247 19.000 0.258 0.000 0.816 272 A HN 0.908 nan 8.150 nan 0.000 0.444 273 A N 0.061 122.886 122.820 0.008 0.000 1.851 273 A HA -0.232 4.087 4.320 -0.001 0.000 0.216 273 A C 2.222 179.780 177.584 -0.043 0.000 1.195 273 A CA 1.883 53.914 52.037 -0.009 0.000 0.622 273 A CB -0.633 18.366 19.000 -0.001 0.000 0.831 273 A HN 0.505 nan 8.150 nan 0.000 0.444 274 R N -0.763 119.700 120.500 -0.062 0.000 2.261 274 R HA -0.071 4.268 4.340 -0.001 0.000 0.236 274 R C 1.070 177.302 176.300 -0.113 0.000 1.141 274 R CA 0.997 57.048 56.100 -0.081 0.000 1.001 274 R CB -0.536 29.710 30.300 -0.090 0.000 0.866 274 R HN 1.026 nan 8.270 nan 0.000 0.468 275 G N 0.577 109.289 108.800 -0.146 0.000 2.248 275 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.252 275 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.252 275 G C 0.074 174.812 174.900 -0.271 0.000 1.085 275 G CA -0.002 44.995 45.100 -0.171 0.000 0.845 275 G HN 0.271 nan 8.290 nan 0.000 0.494 276 I N -0.005 120.299 120.570 -0.443 0.000 2.836 276 I HA 0.128 4.297 4.170 -0.001 0.000 0.285 276 I C 1.047 176.802 176.117 -0.604 0.000 1.174 276 I CA 0.132 61.114 61.300 -0.530 0.000 1.405 276 I CB 0.914 38.508 38.000 -0.677 0.000 1.385 276 I HN 0.375 nan 8.210 nan 0.000 0.594 277 E N 4.092 124.061 120.200 -0.384 0.000 2.194 277 E HA 0.039 4.388 4.350 -0.001 0.000 0.284 277 E C -0.092 176.369 176.600 -0.232 0.000 1.035 277 E CA -0.335 55.902 56.400 -0.272 0.000 0.836 277 E CB 0.681 30.303 29.700 -0.130 0.000 1.070 277 E HN 0.432 nan 8.360 nan 0.000 0.401 278 W N 3.099 124.385 121.300 -0.023 0.000 2.381 278 W HA -0.104 4.555 4.660 -0.002 0.000 0.301 278 W C 2.055 178.557 176.519 -0.029 0.000 1.205 278 W CA 0.740 58.071 57.345 -0.024 0.000 1.285 278 W CB 0.099 29.545 29.460 -0.023 0.000 1.133 278 W HN 0.690 nan 8.180 nan 0.000 0.521 279 E N 0.654 120.962 120.200 0.180 0.000 2.267 279 E HA -0.222 4.127 4.350 -0.001 0.000 0.197 279 E C 2.111 178.744 176.600 0.054 0.000 0.998 279 E CA 1.315 57.771 56.400 0.093 0.000 0.830 279 E CB -0.132 29.595 29.700 0.046 0.000 0.751 279 E HN 0.218 nan 8.360 nan 0.000 0.491 280 A N 0.604 123.443 122.820 0.032 0.000 1.872 280 A HA -0.109 4.210 4.320 -0.001 0.000 0.214 280 A C 2.054 179.639 177.584 0.002 0.000 1.187 280 A CA 0.985 53.018 52.037 -0.006 0.000 0.614 280 A CB -0.626 18.346 19.000 -0.048 0.000 0.826 280 A HN 0.362 nan 8.150 nan 0.000 0.442 281 L N 0.038 121.275 121.223 0.024 0.000 1.971 281 L HA -0.188 4.151 4.340 -0.001 0.000 0.215 281 L C 2.398 179.298 176.870 0.051 0.000 1.072 281 L CA 1.834 56.704 54.840 0.049 0.000 0.758 281 L CB -0.585 41.557 42.059 0.140 0.000 0.889 281 L HN 0.437 nan 8.230 nan 0.000 0.433 282 L N -1.413 119.854 121.223 0.074 0.000 2.034 282 L HA -0.328 4.012 4.340 -0.001 0.000 0.217 282 L C 2.358 179.221 176.870 -0.013 0.000 1.077 282 L CA 1.808 56.665 54.840 0.028 0.000 0.769 282 L CB -0.577 41.500 42.059 0.030 0.000 0.890 282 L HN 0.198 nan 8.230 nan 0.000 0.435 283 V N -0.906 119.003 119.914 -0.008 0.000 2.667 283 V HA -0.215 3.904 4.120 -0.001 0.000 0.252 283 V C 2.318 178.396 176.094 -0.027 0.000 1.065 283 V CA 1.447 63.731 62.300 -0.027 0.000 1.083 283 V CB -0.270 31.542 31.823 -0.017 0.000 0.692 283 V HN 0.466 nan 8.190 nan 0.000 0.468 284 E N -0.241 119.949 120.200 -0.017 0.000 2.107 284 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 284 E C 2.296 178.888 176.600 -0.013 0.000 0.982 284 E CA 0.947 57.338 56.400 -0.014 0.000 0.809 284 E CB -0.006 29.687 29.700 -0.012 0.000 0.756 284 E HN 0.504 nan 8.360 nan 0.000 0.459 285 M N 0.431 120.020 119.600 -0.019 0.000 2.066 285 M HA -0.205 4.274 4.480 -0.001 0.000 0.259 285 M C 2.517 178.788 176.300 -0.049 0.000 1.074 285 M CA 1.356 56.640 55.300 -0.027 0.000 1.114 285 M CB -0.614 31.968 32.600 -0.030 0.000 1.306 285 M HN 0.207 nan 8.290 nan 0.000 0.411 286 L N -0.109 121.047 121.223 -0.111 0.000 2.103 286 L HA -0.235 4.104 4.340 -0.001 0.000 0.215 286 L C 2.578 179.415 176.870 -0.056 0.000 1.080 286 L CA 1.569 56.269 54.840 -0.234 0.000 0.764 286 L CB -1.178 40.711 42.059 -0.282 0.000 0.890 286 L HN 0.479 nan 8.230 nan 0.000 0.435 287 G N -0.746 108.053 108.800 -0.003 0.000 2.408 287 G HA2 -0.110 3.849 3.960 -0.001 0.000 0.215 287 G HA3 -0.110 3.849 3.960 -0.001 0.000 0.215 287 G C 1.559 176.518 174.900 0.098 0.000 1.156 287 G CA 0.200 45.330 45.100 0.050 0.000 0.793 287 G HN 0.193 nan 8.290 nan 0.000 0.535 288 L N 0.080 121.343 121.223 0.066 0.000 2.005 288 L HA -0.008 4.331 4.340 -0.001 0.000 0.207 288 L C 2.939 179.885 176.870 0.126 0.000 1.072 288 L CA 0.762 55.648 54.840 0.077 0.000 0.744 288 L CB -0.821 41.262 42.059 0.040 0.000 0.895 288 L HN 0.178 nan 8.230 nan 0.000 0.433 289 L N -0.645 120.658 121.223 0.134 0.000 2.021 289 L HA -0.325 4.014 4.340 -0.001 0.000 0.215 289 L C 2.654 179.688 176.870 0.274 0.000 1.074 289 L CA 1.766 56.727 54.840 0.200 0.000 0.760 289 L CB -0.855 41.341 42.059 0.228 0.000 0.889 289 L HN 0.368 nan 8.230 nan 0.000 0.433 290 H N -0.075 119.155 119.070 0.266 0.000 2.251 290 H HA -0.257 4.298 4.556 -0.001 0.000 0.294 290 H C 2.434 177.829 175.328 0.113 0.000 1.078 290 H CA 2.105 58.287 56.048 0.224 0.000 1.246 290 H CB 0.069 29.977 29.762 0.244 0.000 1.358 290 H HN -0.031 nan 8.280 nan 0.000 0.488 291 R N 0.742 121.440 120.500 0.330 0.000 2.133 291 R HA -0.147 4.192 4.340 -0.001 0.000 0.247 291 R C 2.304 178.675 176.300 0.118 0.000 1.151 291 R CA 1.965 58.188 56.100 0.205 0.000 0.971 291 R CB -0.982 29.395 30.300 0.129 0.000 0.866 291 R HN 0.571 nan 8.270 nan 0.000 0.447 292 I N -0.239 120.393 120.570 0.103 0.000 2.193 292 I HA -0.166 4.003 4.170 -0.001 0.000 0.240 292 I C 2.243 178.385 176.117 0.042 0.000 1.084 292 I CA 1.333 62.674 61.300 0.069 0.000 1.365 292 I CB -0.465 37.581 38.000 0.077 0.000 1.064 292 I HN 0.229 nan 8.210 nan 0.000 0.410 293 A N 0.493 123.329 122.820 0.027 0.000 2.093 293 A HA -0.236 4.083 4.320 -0.001 0.000 0.222 293 A C 2.296 179.850 177.584 -0.050 0.000 1.162 293 A CA 1.808 53.829 52.037 -0.027 0.000 0.655 293 A CB -0.626 18.321 19.000 -0.088 0.000 0.805 293 A HN 0.450 nan 8.150 nan 0.000 0.461 294 M N -1.151 118.430 119.600 -0.032 0.000 2.466 294 M HA 0.007 4.486 4.480 -0.001 0.000 0.265 294 M C 1.394 177.698 176.300 0.007 0.000 1.122 294 M CA 0.741 56.031 55.300 -0.017 0.000 1.157 294 M CB -0.057 32.553 32.600 0.018 0.000 1.352 294 M HN 0.136 nan 8.290 nan 0.000 0.464 295 V N 0.797 120.723 119.914 0.019 0.000 3.541 295 V HA -0.109 4.010 4.120 -0.001 0.000 0.272 295 V C 1.797 177.898 176.094 0.012 0.000 1.215 295 V CA 0.958 63.269 62.300 0.019 0.000 1.176 295 V CB -1.329 30.509 31.823 0.026 0.000 0.854 295 V HN 0.525 nan 8.190 nan 0.000 0.496 296 Q N -0.512 119.291 119.800 0.005 0.000 2.297 296 Q HA 0.060 4.399 4.340 -0.001 0.000 0.203 296 Q C 1.882 177.879 176.000 -0.006 0.000 0.931 296 Q CA 0.785 56.589 55.803 0.000 0.000 0.885 296 Q CB 0.108 28.843 28.738 -0.004 0.000 0.991 296 Q HN 0.490 nan 8.270 nan 0.000 0.498 297 L N -0.086 121.131 121.223 -0.010 0.000 2.249 297 L HA 0.056 4.395 4.340 -0.001 0.000 0.207 297 L C 1.018 177.885 176.870 -0.004 0.000 1.090 297 L CA 0.607 55.441 54.840 -0.011 0.000 0.802 297 L CB 0.233 42.281 42.059 -0.018 0.000 0.947 297 L HN 0.029 nan 8.230 nan 0.000 0.453 298 S N -3.350 112.351 115.700 0.001 0.000 2.565 298 S HA 0.484 4.953 4.470 -0.001 0.000 0.269 298 S C -2.477 172.128 174.600 0.008 0.000 1.153 298 S CA -0.969 57.233 58.200 0.004 0.000 0.835 298 S CB 1.397 64.599 63.200 0.004 0.000 1.122 298 S HN -0.241 nan 8.310 nan 0.000 0.462 299 P HA 0.067 nan 4.420 nan 0.000 0.216 299 P C 1.442 178.749 177.300 0.011 0.000 1.153 299 P CA 1.917 65.023 63.100 0.010 0.000 0.848 299 P CB -0.210 31.495 31.700 0.007 0.000 0.787 300 A N -0.222 122.604 122.820 0.009 0.000 2.259 300 A HA 0.056 4.375 4.320 -0.001 0.000 0.212 300 A C 2.014 179.607 177.584 0.014 0.000 1.178 300 A CA 1.314 53.356 52.037 0.009 0.000 0.734 300 A CB -1.343 17.661 19.000 0.006 0.000 0.774 300 A HN 0.204 nan 8.150 nan 0.000 0.481 301 A N -0.946 121.885 122.820 0.018 0.000 2.238 301 A HA 0.428 4.747 4.320 -0.001 0.000 0.208 301 A C 0.743 178.346 177.584 0.031 0.000 1.177 301 A CA 0.024 52.077 52.037 0.027 0.000 0.804 301 A CB -0.168 18.851 19.000 0.032 0.000 0.823 301 A HN 0.434 nan 8.150 nan 0.000 0.482 302 L N 0.234 121.472 121.223 0.024 0.000 2.325 302 L HA 0.477 4.817 4.340 -0.001 0.000 0.279 302 L C 0.941 177.822 176.870 0.018 0.000 1.054 302 L CA -0.684 54.170 54.840 0.024 0.000 0.804 302 L CB 1.522 43.594 42.059 0.021 0.000 1.200 302 L HN 0.336 nan 8.230 nan 0.000 0.436 303 G N 1.152 109.962 108.800 0.018 0.000 2.527 303 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.248 303 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.248 303 G C 0.772 175.678 174.900 0.010 0.000 1.231 303 G CA -0.332 44.776 45.100 0.013 0.000 0.838 303 G HN 0.761 nan 8.290 nan 0.000 0.570 304 N N 0.174 118.878 118.700 0.007 0.000 2.149 304 N HA -0.153 4.586 4.740 -0.001 0.000 0.188 304 N C 1.705 177.221 175.510 0.010 0.000 1.019 304 N CA 1.262 54.316 53.050 0.007 0.000 0.857 304 N CB -0.180 38.309 38.487 0.003 0.000 0.997 304 N HN 0.699 nan 8.380 nan 0.000 0.426 305 D N 0.467 120.872 120.400 0.009 0.000 2.182 305 D HA -0.198 4.442 4.640 -0.001 0.000 0.193 305 D C 1.954 178.260 176.300 0.009 0.000 0.999 305 D CA 1.357 55.362 54.000 0.008 0.000 0.850 305 D CB -0.047 40.757 40.800 0.007 0.000 0.994 305 D HN 0.135 nan 8.370 nan 0.000 0.450 306 M N 0.801 120.407 119.600 0.011 0.000 2.116 306 M HA -0.258 4.221 4.480 -0.001 0.000 0.255 306 M C 2.392 178.699 176.300 0.010 0.000 1.075 306 M CA 1.515 56.822 55.300 0.012 0.000 1.087 306 M CB -1.524 31.085 32.600 0.015 0.000 1.340 306 M HN 0.230 nan 8.290 nan 0.000 0.402 307 A N 0.555 123.381 122.820 0.011 0.000 1.427 307 A HA -0.396 3.923 4.320 -0.001 0.000 0.358 307 A C 2.368 179.957 177.584 0.008 0.000 4.485 307 A CA 4.066 56.109 52.037 0.010 0.000 0.961 307 A CB -1.809 17.198 19.000 0.011 0.000 0.690 307 A HN 0.633 nan 8.150 nan 0.000 0.545 308 A N -1.536 121.288 122.820 0.007 0.000 1.873 308 A HA 0.095 4.414 4.320 -0.001 0.000 0.215 308 A C 2.205 179.792 177.584 0.005 0.000 1.186 308 A CA 1.655 53.694 52.037 0.005 0.000 0.616 308 A CB -0.521 18.481 19.000 0.002 0.000 0.823 308 A HN 0.717 nan 8.150 nan 0.000 0.442 309 I N -0.149 120.424 120.570 0.006 0.000 2.493 309 I HA -0.249 3.920 4.170 -0.001 0.000 0.254 309 I C 2.464 178.587 176.117 0.010 0.000 1.160 309 I CA 1.493 62.797 61.300 0.007 0.000 1.445 309 I CB -0.154 37.851 38.000 0.008 0.000 1.086 309 I HN 0.634 nan 8.210 nan 0.000 0.433 310 E N 1.111 121.317 120.200 0.011 0.000 2.065 310 E HA -0.334 4.015 4.350 -0.001 0.000 0.201 310 E C 2.253 178.861 176.600 0.013 0.000 1.016 310 E CA 1.956 58.364 56.400 0.013 0.000 0.818 310 E CB -0.274 29.433 29.700 0.012 0.000 0.749 310 E HN 0.333 nan 8.360 nan 0.000 0.453 311 L N 1.397 122.626 121.223 0.011 0.000 1.997 311 L HA -0.234 4.105 4.340 -0.001 0.000 0.216 311 L C 2.512 179.389 176.870 0.012 0.000 1.074 311 L CA 2.186 57.032 54.840 0.011 0.000 0.763 311 L CB -0.637 41.427 42.059 0.009 0.000 0.890 311 L HN 0.104 nan 8.230 nan 0.000 0.434 312 R N -1.535 118.971 120.500 0.011 0.000 2.103 312 R HA -0.214 4.125 4.340 -0.001 0.000 0.242 312 R C 2.236 178.546 176.300 0.016 0.000 1.142 312 R CA 2.042 58.149 56.100 0.012 0.000 0.960 312 R CB -0.434 29.871 30.300 0.009 0.000 0.858 312 R HN 0.392 nan 8.270 nan 0.000 0.439 313 M N 0.250 119.861 119.600 0.018 0.000 2.059 313 M HA -0.176 4.303 4.480 -0.001 0.000 0.259 313 M C 2.206 178.521 176.300 0.025 0.000 1.072 313 M CA 1.780 57.094 55.300 0.023 0.000 1.117 313 M CB -0.792 31.823 32.600 0.025 0.000 1.320 313 M HN 0.145 nan 8.290 nan 0.000 0.408 314 R N -0.167 120.346 120.500 0.022 0.000 2.117 314 R HA -0.218 4.122 4.340 -0.001 0.000 0.243 314 R C 2.097 178.410 176.300 0.021 0.000 1.143 314 R CA 1.676 57.788 56.100 0.021 0.000 0.968 314 R CB -0.455 29.855 30.300 0.017 0.000 0.863 314 R HN 0.383 nan 8.270 nan 0.000 0.444 315 E N 1.118 121.330 120.200 0.020 0.000 2.046 315 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 315 E C 1.836 178.452 176.600 0.027 0.000 0.982 315 E CA 0.701 57.113 56.400 0.021 0.000 0.800 315 E CB -0.199 29.512 29.700 0.018 0.000 0.756 315 E HN 0.121 nan 8.360 nan 0.000 0.449 316 L N 0.220 121.459 121.223 0.028 0.000 2.043 316 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 316 L C 2.239 179.135 176.870 0.043 0.000 1.075 316 L CA 2.153 57.014 54.840 0.035 0.000 0.752 316 L CB -0.675 41.404 42.059 0.032 0.000 0.891 316 L HN 0.273 nan 8.230 nan 0.000 0.432 317 A N -0.873 121.970 122.820 0.038 0.000 1.873 317 A HA -0.205 4.115 4.320 -0.001 0.000 0.215 317 A C 2.379 179.983 177.584 0.034 0.000 1.186 317 A CA 1.660 53.720 52.037 0.038 0.000 0.616 317 A CB -0.493 18.526 19.000 0.031 0.000 0.823 317 A HN 0.427 nan 8.150 nan 0.000 0.442 318 R N -0.423 120.094 120.500 0.028 0.000 2.082 318 R HA -0.102 4.237 4.340 -0.001 0.000 0.234 318 R C 1.394 177.712 176.300 0.029 0.000 1.136 318 R CA 1.743 57.858 56.100 0.025 0.000 0.935 318 R CB -0.844 29.469 30.300 0.021 0.000 0.842 318 R HN 0.616 nan 8.270 nan 0.000 0.430 319 T N -0.466 114.109 114.554 0.035 0.000 3.591 319 T HA 0.452 4.801 4.350 -0.001 0.000 0.232 319 T C 0.207 174.941 174.700 0.057 0.000 1.116 319 T CA -0.158 61.966 62.100 0.040 0.000 1.063 319 T CB -0.646 68.244 68.868 0.037 0.000 1.227 319 T HN 0.015 nan 8.240 nan 0.000 0.685 320 I N 1.033 121.637 120.570 0.057 0.000 2.908 320 I HA 0.389 4.558 4.170 -0.001 0.000 0.300 320 I C -2.775 173.373 176.117 0.052 0.000 1.385 320 I CA -2.822 58.524 61.300 0.077 0.000 1.004 320 I CB 3.047 41.113 38.000 0.110 0.000 1.309 320 I HN 0.094 nan 8.210 nan 0.000 0.449 321 P HA 0.339 nan 4.420 nan 0.000 0.293 321 P C -2.355 174.948 177.300 0.005 0.000 1.313 321 P CA -1.676 61.430 63.100 0.010 0.000 0.787 321 P CB 0.592 32.283 31.700 -0.016 0.000 0.910 322 P HA -0.160 nan 4.420 nan 0.000 0.222 322 P C 1.326 178.609 177.300 -0.029 0.000 1.147 322 P CA 1.473 64.568 63.100 -0.009 0.000 0.790 322 P CB -0.269 31.421 31.700 -0.016 0.000 0.780 323 T N -4.481 110.049 114.554 -0.040 0.000 2.896 323 T HA -0.077 4.272 4.350 -0.001 0.000 0.263 323 T C 1.492 176.140 174.700 -0.087 0.000 1.050 323 T CA 0.983 63.048 62.100 -0.057 0.000 1.140 323 T CB -0.908 67.928 68.868 -0.054 0.000 0.877 323 T HN -0.055 nan 8.240 nan 0.000 0.457 324 D N 1.522 121.857 120.400 -0.108 0.000 2.078 324 D HA 0.020 4.659 4.640 -0.001 0.000 0.193 324 D C 2.128 178.299 176.300 -0.215 0.000 0.990 324 D CA 0.766 54.631 54.000 -0.224 0.000 0.827 324 D CB -0.462 40.214 40.800 -0.206 0.000 0.975 324 D HN 0.328 nan 8.370 nan 0.000 0.451 325 I N 0.426 120.993 120.570 -0.004 0.000 2.113 325 I HA -0.367 3.802 4.170 -0.001 0.000 0.242 325 I C 2.345 178.535 176.117 0.122 0.000 1.057 325 I CA 1.465 62.854 61.300 0.148 0.000 1.314 325 I CB -0.333 37.746 38.000 0.133 0.000 1.022 325 I HN 0.097 nan 8.210 nan 0.000 0.408 326 Q N 0.559 120.370 119.800 0.018 0.000 2.364 326 Q HA -0.198 4.141 4.340 -0.001 0.000 0.209 326 Q C 1.882 177.903 176.000 0.034 0.000 0.977 326 Q CA 1.117 56.923 55.803 0.005 0.000 0.885 326 Q CB -0.064 28.628 28.738 -0.078 0.000 0.941 326 Q HN 0.427 nan 8.270 nan 0.000 0.464 327 L N -0.904 120.289 121.223 -0.049 0.000 2.023 327 L HA -0.094 4.245 4.340 -0.001 0.000 0.205 327 L C 1.464 178.333 176.870 -0.001 0.000 1.073 327 L CA 1.712 56.500 54.840 -0.088 0.000 0.745 327 L CB -0.732 41.197 42.059 -0.217 0.000 0.900 327 L HN 0.252 nan 8.230 nan 0.000 0.435 328 Y N -1.406 118.953 120.300 0.099 0.000 2.128 328 Y HA -0.331 4.218 4.550 -0.001 0.000 0.284 328 Y C 2.577 178.540 175.900 0.106 0.000 1.154 328 Y CA 1.997 60.156 58.100 0.098 0.000 1.149 328 Y CB -1.452 37.068 38.460 0.101 0.000 0.976 328 Y HN 0.239 nan 8.280 nan 0.000 0.505 329 Y N 0.924 121.335 120.300 0.186 0.000 2.102 329 Y HA -0.407 4.142 4.550 -0.001 0.000 0.280 329 Y C 2.517 178.459 175.900 0.070 0.000 1.178 329 Y CA 2.204 60.370 58.100 0.111 0.000 1.146 329 Y CB -0.334 38.176 38.460 0.083 0.000 0.968 329 Y HN 0.223 nan 8.280 nan 0.000 0.504 330 Q N -1.105 118.872 119.800 0.295 0.000 2.096 330 Q HA -0.193 4.146 4.340 -0.001 0.000 0.204 330 Q C 2.069 178.122 176.000 0.088 0.000 0.982 330 Q CA 2.361 58.269 55.803 0.176 0.000 0.850 330 Q CB -0.237 28.554 28.738 0.088 0.000 0.901 330 Q HN 0.492 nan 8.270 nan 0.000 0.422 331 T N 0.965 115.561 114.554 0.070 0.000 2.812 331 T HA -0.058 4.291 4.350 -0.001 0.000 0.264 331 T C 1.889 176.595 174.700 0.009 0.000 1.042 331 T CA 0.666 62.778 62.100 0.021 0.000 1.140 331 T CB -0.168 68.727 68.868 0.045 0.000 0.870 331 T HN 0.136 nan 8.240 nan 0.000 0.445 332 L N 0.234 121.461 121.223 0.007 0.000 1.994 332 L HA -0.037 4.302 4.340 -0.001 0.000 0.208 332 L C 2.503 179.336 176.870 -0.063 0.000 1.071 332 L CA 0.838 55.650 54.840 -0.046 0.000 0.745 332 L CB -0.541 41.457 42.059 -0.102 0.000 0.892 332 L HN 0.196 nan 8.230 nan 0.000 0.431 333 L N 0.116 121.294 121.223 -0.074 0.000 2.042 333 L HA -0.238 4.101 4.340 -0.001 0.000 0.210 333 L C 2.275 179.148 176.870 0.006 0.000 1.076 333 L CA 1.806 56.628 54.840 -0.030 0.000 0.749 333 L CB -0.416 41.673 42.059 0.049 0.000 0.893 333 L HN 0.119 nan 8.230 nan 0.000 0.432 334 I N -0.921 119.656 120.570 0.012 0.000 2.202 334 I HA -0.210 3.959 4.170 -0.001 0.000 0.242 334 I C 2.497 178.618 176.117 0.007 0.000 1.091 334 I CA 1.284 62.590 61.300 0.011 0.000 1.368 334 I CB -1.126 36.870 38.000 -0.006 0.000 1.058 334 I HN 0.391 nan 8.210 nan 0.000 0.410 335 G N 0.622 109.418 108.800 -0.007 0.000 2.475 335 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.220 335 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.220 335 G C 1.771 176.671 174.900 0.001 0.000 1.125 335 G CA 0.942 46.037 45.100 -0.008 0.000 0.755 335 G HN 0.300 nan 8.290 nan 0.000 0.565 336 R N 0.459 120.958 120.500 -0.001 0.000 2.061 336 R HA -0.010 4.329 4.340 -0.001 0.000 0.230 336 R C 2.565 178.875 176.300 0.016 0.000 1.140 336 R CA 1.531 57.632 56.100 0.003 0.000 0.940 336 R CB -0.298 29.999 30.300 -0.005 0.000 0.839 336 R HN 0.257 nan 8.270 nan 0.000 0.429 337 K N 0.213 120.632 120.400 0.031 0.000 2.160 337 K HA -0.199 4.120 4.320 -0.001 0.000 0.206 337 K C 1.921 178.589 176.600 0.114 0.000 1.047 337 K CA 1.947 58.271 56.287 0.062 0.000 0.930 337 K CB -0.039 32.498 32.500 0.063 0.000 0.720 337 K HN 0.424 nan 8.250 nan 0.000 0.450 338 E N 0.466 120.724 120.200 0.097 0.000 2.230 338 E HA -0.092 4.257 4.350 -0.001 0.000 0.192 338 E C 1.902 178.566 176.600 0.107 0.000 0.987 338 E CA 0.144 56.633 56.400 0.148 0.000 0.841 338 E CB 0.030 29.774 29.700 0.073 0.000 0.783 338 E HN 0.130 nan 8.360 nan 0.000 0.481 339 L N 1.753 122.990 121.223 0.024 0.000 2.129 339 L HA -0.121 4.218 4.340 -0.001 0.000 0.212 339 L C -1.080 175.750 176.870 -0.068 0.000 1.087 339 L CA 1.749 56.578 54.840 -0.018 0.000 0.757 339 L CB -0.510 41.541 42.059 -0.014 0.000 0.896 339 L HN 0.047 nan 8.230 nan 0.000 0.434 340 P HA -0.031 nan 4.420 nan 0.000 0.245 340 P C 0.394 177.463 177.300 -0.385 0.000 1.206 340 P CA 1.219 64.138 63.100 -0.302 0.000 0.781 340 P CB -0.006 31.417 31.700 -0.461 0.000 0.994 341 Y N -0.697 119.600 120.300 -0.006 0.000 2.507 341 Y HA 0.388 4.937 4.550 -0.002 0.000 0.263 341 Y C 1.529 177.420 175.900 -0.015 0.000 1.093 341 Y CA -0.519 57.576 58.100 -0.008 0.000 1.285 341 Y CB -0.340 38.115 38.460 -0.008 0.000 1.115 341 Y HN -0.202 nan 8.280 nan 0.000 0.533 342 A N 1.826 124.704 122.820 0.097 0.000 2.507 342 A HA 0.068 4.387 4.320 -0.001 0.000 0.235 342 A C -1.485 176.104 177.584 0.008 0.000 1.070 342 A CA -0.885 51.171 52.037 0.033 0.000 0.768 342 A CB -0.221 18.773 19.000 -0.010 0.000 1.011 342 A HN 0.148 nan 8.150 nan 0.000 0.502 343 P HA 0.055 nan 4.420 nan 0.000 0.225 343 P C -0.226 177.063 177.300 -0.017 0.000 1.156 343 P CA 1.251 64.349 63.100 -0.002 0.000 0.787 343 P CB 0.245 31.941 31.700 -0.007 0.000 0.802 344 D N -1.664 118.710 120.400 -0.044 0.000 2.966 344 D HA 0.153 4.792 4.640 -0.001 0.000 0.222 344 D C 0.884 177.117 176.300 -0.111 0.000 1.292 344 D CA -0.584 53.381 54.000 -0.058 0.000 0.907 344 D CB 1.277 42.034 40.800 -0.071 0.000 1.621 344 D HN -0.321 nan 8.370 nan 0.000 0.557 345 R N 2.122 122.572 120.500 -0.082 0.000 2.127 345 R HA -0.126 4.213 4.340 -0.001 0.000 0.238 345 R C 1.902 177.922 176.300 -0.466 0.000 1.134 345 R CA 0.906 56.934 56.100 -0.120 0.000 0.975 345 R CB 0.057 30.410 30.300 0.088 0.000 0.865 345 R HN 0.423 nan 8.270 nan 0.000 0.447 346 R N 1.235 121.316 120.500 -0.699 0.000 2.096 346 R HA -0.132 4.207 4.340 -0.001 0.000 0.229 346 R C 2.344 178.280 176.300 -0.607 0.000 1.134 346 R CA 1.885 57.324 56.100 -1.102 0.000 0.917 346 R CB -0.275 29.634 30.300 -0.652 0.000 0.832 346 R HN 0.079 nan 8.270 nan 0.000 0.430 347 M N -0.085 119.314 119.600 -0.334 0.000 2.146 347 M HA -0.208 4.271 4.480 -0.001 0.000 0.256 347 M C 2.264 178.449 176.300 -0.193 0.000 1.075 347 M CA 1.983 57.157 55.300 -0.210 0.000 1.082 347 M CB -0.649 31.877 32.600 -0.124 0.000 1.355 347 M HN 0.573 nan 8.290 nan 0.000 0.402 348 G N -0.500 108.183 108.800 -0.196 0.000 2.433 348 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.216 348 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.216 348 G C 1.432 176.245 174.900 -0.146 0.000 1.186 348 G CA 0.989 46.008 45.100 -0.134 0.000 0.779 348 G HN 0.345 nan 8.290 nan 0.000 0.543 349 V N 0.566 120.341 119.914 -0.232 0.000 2.343 349 V HA -0.156 3.963 4.120 -0.001 0.000 0.247 349 V C 2.662 178.654 176.094 -0.170 0.000 1.051 349 V CA 2.233 64.421 62.300 -0.186 0.000 1.036 349 V CB -0.465 31.219 31.823 -0.231 0.000 0.654 349 V HN 0.457 nan 8.190 nan 0.000 0.451 350 E N -0.593 119.466 120.200 -0.234 0.000 2.038 350 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 350 E C 2.233 178.781 176.600 -0.088 0.000 1.000 350 E CA 1.483 57.789 56.400 -0.156 0.000 0.803 350 E CB -0.174 29.424 29.700 -0.169 0.000 0.750 350 E HN 0.343 nan 8.360 nan 0.000 0.448 351 M N 0.190 119.741 119.600 -0.082 0.000 2.460 351 M HA -0.082 4.397 4.480 -0.001 0.000 0.263 351 M C 1.841 178.125 176.300 -0.026 0.000 1.071 351 M CA 1.156 56.431 55.300 -0.041 0.000 1.096 351 M CB -0.330 32.248 32.600 -0.038 0.000 1.408 351 M HN 0.126 nan 8.290 nan 0.000 0.463 352 T N 0.622 115.152 114.554 -0.040 0.000 2.901 352 T HA 0.087 4.436 4.350 -0.001 0.000 0.252 352 T C 1.954 176.651 174.700 -0.005 0.000 1.035 352 T CA 0.514 62.599 62.100 -0.026 0.000 1.142 352 T CB 0.089 68.938 68.868 -0.031 0.000 0.869 352 T HN 0.275 nan 8.240 nan 0.000 0.442 353 L N 0.834 122.049 121.223 -0.014 0.000 2.046 353 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 353 L C 2.462 179.347 176.870 0.026 0.000 1.077 353 L CA 1.293 56.134 54.840 0.002 0.000 0.747 353 L CB -0.695 41.353 42.059 -0.019 0.000 0.896 353 L HN 0.273 nan 8.230 nan 0.000 0.432 354 L N -0.581 120.652 121.223 0.017 0.000 2.079 354 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 354 L C 2.846 179.779 176.870 0.103 0.000 1.081 354 L CA 1.271 56.137 54.840 0.043 0.000 0.752 354 L CB -0.506 41.569 42.059 0.026 0.000 0.896 354 L HN 0.248 nan 8.230 nan 0.000 0.433 355 R N 0.067 120.621 120.500 0.091 0.000 2.075 355 R HA -0.154 4.185 4.340 -0.001 0.000 0.232 355 R C 2.379 178.787 176.300 0.181 0.000 1.126 355 R CA 1.275 57.448 56.100 0.122 0.000 0.963 355 R CB -0.245 30.032 30.300 -0.038 0.000 0.858 355 R HN 0.346 nan 8.270 nan 0.000 0.435 356 A N 1.056 123.958 122.820 0.138 0.000 1.948 356 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 356 A C 2.137 179.895 177.584 0.289 0.000 1.177 356 A CA 1.248 53.420 52.037 0.225 0.000 0.636 356 A CB -0.475 18.631 19.000 0.178 0.000 0.815 356 A HN 0.335 nan 8.150 nan 0.000 0.449 357 L N -1.331 120.008 121.223 0.193 0.000 2.068 357 L HA -0.108 4.231 4.340 -0.001 0.000 0.204 357 L C 3.135 180.126 176.870 0.200 0.000 1.076 357 L CA 1.007 55.934 54.840 0.145 0.000 0.753 357 L CB -0.625 41.461 42.059 0.045 0.000 0.910 357 L HN 0.439 nan 8.230 nan 0.000 0.439 358 A N -0.117 122.834 122.820 0.219 0.000 1.940 358 A HA -0.189 4.130 4.320 -0.001 0.000 0.219 358 A C 1.544 179.134 177.584 0.010 0.000 1.176 358 A CA 1.522 53.627 52.037 0.113 0.000 0.631 358 A CB -0.601 18.461 19.000 0.103 0.000 0.814 358 A HN 0.394 nan 8.150 nan 0.000 0.446 359 F N -0.469 119.538 119.950 0.094 0.000 2.660 359 F HA 0.192 4.718 4.527 -0.002 0.000 0.297 359 F C 0.917 176.781 175.800 0.107 0.000 1.132 359 F CA -0.802 57.244 58.000 0.077 0.000 1.372 359 F CB -0.624 38.408 39.000 0.053 0.000 1.003 359 F HN 0.297 nan 8.300 nan 0.000 0.524 360 H N 2.880 122.065 119.070 0.191 0.000 3.004 360 H HA 0.001 4.557 4.556 -0.001 0.000 0.316 360 H C -1.633 173.743 175.328 0.080 0.000 1.014 360 H CA -1.037 55.108 56.048 0.162 0.000 1.454 360 H CB 1.378 31.236 29.762 0.161 0.000 1.472 360 H HN 0.026 nan 8.280 nan 0.000 0.571 361 P HA -0.129 nan 4.420 nan 0.000 0.213 361 P C 1.597 178.787 177.300 -0.184 0.000 1.170 361 P CA 0.825 63.807 63.100 -0.197 0.000 0.893 361 P CB 0.390 31.943 31.700 -0.245 0.000 0.784 362 R N -0.681 119.614 120.500 -0.342 0.000 2.075 362 R HA 0.042 4.381 4.340 -0.001 0.000 0.230 362 R C 1.251 177.598 176.300 0.078 0.000 1.140 362 R CA 1.324 57.357 56.100 -0.112 0.000 0.928 362 R CB -1.149 29.111 30.300 -0.065 0.000 0.834 362 R HN 0.303 nan 8.270 nan 0.000 0.429 363 M N 1.352 121.143 119.600 0.318 0.000 2.236 363 M HA 0.287 4.766 4.480 -0.001 0.000 0.228 363 M C -2.324 174.126 176.300 0.249 0.000 0.906 363 M CA -1.739 53.709 55.300 0.247 0.000 0.761 363 M CB 2.099 34.810 32.600 0.185 0.000 1.439 363 M HN -0.157 nan 8.290 nan 0.000 0.394 364 P HA 0.102 nan 4.420 nan 0.000 0.272 364 P C -0.796 176.535 177.300 0.051 0.000 1.254 364 P CA -0.600 62.565 63.100 0.109 0.000 0.795 364 P CB 0.618 32.336 31.700 0.031 0.000 1.022 365 L N 2.652 123.887 121.223 0.019 0.000 2.290 365 L HA 0.353 4.692 4.340 -0.001 0.000 0.284 365 L C -1.942 174.918 176.870 -0.016 0.000 1.078 365 L CA -1.864 52.978 54.840 0.003 0.000 0.815 365 L CB -0.308 41.755 42.059 0.007 0.000 1.162 365 L HN 0.291 nan 8.230 nan 0.000 0.435 366 P HA -0.003 nan 4.420 nan 0.000 0.260 366 P C -0.854 176.435 177.300 -0.018 0.000 1.185 366 P CA 0.112 63.205 63.100 -0.012 0.000 0.763 366 P CB 0.443 32.139 31.700 -0.006 0.000 0.776 367 E N 4.364 124.550 120.200 -0.024 0.000 2.242 367 E HA 0.343 4.692 4.350 -0.001 0.000 0.275 367 E C -1.360 175.229 176.600 -0.018 0.000 1.002 367 E CA -1.822 54.562 56.400 -0.026 0.000 0.841 367 E CB 0.639 30.316 29.700 -0.038 0.000 1.109 367 E HN 0.394 nan 8.360 nan 0.000 0.394 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.093 63.100 -0.011 0.000 0.800 368 P CB 0.000 31.695 31.700 -0.009 0.000 0.726