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_H DATA FIRST_RESID 4 DATA SEQUENCE QVLARKWRPQ TFADVVGQEH VLTALANGLS LGRIHHAYLF SGTRGVGKTS DATA SEQUENCE IARLLAKGLN CETGITATPC GVCDNCREIE QGRFVDLIEI DAASRTKVED DATA SEQUENCE TRDLLDNVQY APARGRFKVY LIDEVHMLSR HSFNALLKTL EEPPEHVKFL DATA SEQUENCE LATTDPQKLP VTILSRCLQF HLKALDVEQI RHQLEHILNE EHIAHEPRAL DATA SEQUENCE QLLARAAEGS LRDALSLTDQ AIASGDGQVS TQAVSAMLGT LDDDQALSLV DATA SEQUENCE EAMVEANGER VMALINEAAA RGIEWEALLV EMLGLLHRIA MVQLSPAALG DATA SEQUENCE NDMAAIELRM RELARTIPPT DIQLYYQTLL IGRKELPYAP DRRMGVEMTL DATA SEQUENCE LRALAFHPRM PLPEP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 176.030 176.000 0.050 0.000 1.003 4 Q CA 0.000 55.824 55.803 0.036 0.000 1.022 4 Q CB 0.000 28.755 28.738 0.027 0.000 1.108 5 V N 2.399 122.344 119.914 0.051 0.000 2.370 5 V HA 0.290 4.408 4.120 -0.003 0.000 0.283 5 V C 1.393 177.548 176.094 0.101 0.000 1.023 5 V CA -0.100 62.238 62.300 0.064 0.000 0.857 5 V CB 1.169 33.020 31.823 0.047 0.000 0.985 5 V HN 0.630 nan 8.190 nan 0.000 0.443 6 L N 4.028 125.328 121.223 0.129 0.000 2.023 6 L HA -0.082 4.256 4.340 -0.003 0.000 0.205 6 L C 2.691 179.688 176.870 0.212 0.000 1.073 6 L CA 1.757 56.733 54.840 0.226 0.000 0.745 6 L CB -0.549 41.594 42.059 0.140 0.000 0.900 6 L HN 0.846 nan 8.230 nan 0.000 0.435 7 A N -0.098 122.793 122.820 0.117 0.000 1.957 7 A HA -0.339 3.979 4.320 -0.003 0.000 0.224 7 A C 2.450 180.094 177.584 0.100 0.000 1.287 7 A CA 2.535 54.626 52.037 0.090 0.000 0.682 7 A CB -0.687 18.344 19.000 0.052 0.000 0.833 7 A HN 0.382 nan 8.150 nan 0.000 0.482 8 R N -1.110 119.442 120.500 0.087 0.000 2.105 8 R HA 0.019 4.357 4.340 -0.003 0.000 0.214 8 R C 2.349 178.669 176.300 0.035 0.000 1.091 8 R CA 1.079 57.210 56.100 0.052 0.000 1.007 8 R CB -0.270 30.049 30.300 0.031 0.000 0.912 8 R HN 0.640 nan 8.270 nan 0.000 0.450 9 K N -0.216 120.207 120.400 0.038 0.000 2.044 9 K HA -0.177 4.141 4.320 -0.003 0.000 0.210 9 K C 0.991 177.455 176.600 -0.227 0.000 1.049 9 K CA 1.746 57.975 56.287 -0.096 0.000 0.927 9 K CB -0.150 32.295 32.500 -0.091 0.000 0.713 9 K HN 0.164 nan 8.250 nan 0.000 0.443 10 W N 1.976 123.277 121.300 0.002 0.000 3.405 10 W HA 0.182 4.840 4.660 -0.003 0.000 0.300 10 W C 0.140 176.657 176.519 -0.004 0.000 1.286 10 W CA -0.565 56.783 57.345 0.007 0.000 1.762 10 W CB -0.011 29.459 29.460 0.015 0.000 1.087 10 W HN -0.003 nan 8.180 nan 0.000 0.703 11 R N 2.550 123.103 120.500 0.088 0.000 2.486 11 R HA -0.023 4.315 4.340 -0.003 0.000 0.303 11 R C -2.170 174.143 176.300 0.021 0.000 0.958 11 R CA -1.089 55.034 56.100 0.038 0.000 1.077 11 R CB 0.161 30.460 30.300 -0.003 0.000 0.921 11 R HN -0.175 nan 8.270 nan 0.000 0.406 12 P HA -0.020 nan 4.420 nan 0.000 0.268 12 P C -0.503 176.792 177.300 -0.009 0.000 1.204 12 P CA 0.047 63.158 63.100 0.018 0.000 0.768 12 P CB 0.912 32.603 31.700 -0.015 0.000 0.842 13 Q N 0.128 119.928 119.800 0.000 0.000 2.316 13 Q HA 0.113 4.451 4.340 -0.003 0.000 0.235 13 Q C 0.714 176.728 176.000 0.024 0.000 0.863 13 Q CA 0.781 56.579 55.803 -0.008 0.000 0.939 13 Q CB 0.468 29.185 28.738 -0.035 0.000 1.108 13 Q HN 0.637 nan 8.270 nan 0.000 0.522 14 T N -3.949 110.636 114.554 0.052 0.000 2.887 14 T HA 0.438 4.786 4.350 -0.003 0.000 0.292 14 T C 0.471 175.290 174.700 0.199 0.000 1.087 14 T CA -0.646 61.526 62.100 0.120 0.000 1.009 14 T CB 0.494 69.400 68.868 0.063 0.000 1.203 14 T HN -0.209 nan 8.240 nan 0.000 0.518 15 F N 0.854 120.762 119.950 -0.070 0.000 2.333 15 F HA 0.118 4.643 4.527 -0.003 0.000 0.300 15 F C 2.838 178.598 175.800 -0.066 0.000 1.083 15 F CA 0.766 58.718 58.000 -0.080 0.000 1.395 15 F CB -1.322 37.627 39.000 -0.084 0.000 1.056 15 F HN 0.836 nan 8.300 nan 0.000 0.529 16 A N -0.163 122.740 122.820 0.138 0.000 1.908 16 A HA -0.195 4.123 4.320 -0.003 0.000 0.218 16 A C 1.793 179.387 177.584 0.016 0.000 1.181 16 A CA 2.011 54.080 52.037 0.054 0.000 0.627 16 A CB -0.693 18.329 19.000 0.036 0.000 0.818 16 A HN 0.262 nan 8.150 nan 0.000 0.445 17 D N -0.542 119.874 120.400 0.027 0.000 2.336 17 D HA 0.154 4.792 4.640 -0.003 0.000 0.229 17 D C -0.105 176.187 176.300 -0.014 0.000 1.061 17 D CA 0.216 54.228 54.000 0.020 0.000 0.875 17 D CB 0.152 40.990 40.800 0.064 0.000 0.904 17 D HN 0.164 nan 8.370 nan 0.000 0.525 18 V N 1.468 121.347 119.914 -0.058 0.000 2.439 18 V HA 0.146 4.264 4.120 -0.003 0.000 0.282 18 V C 0.436 176.470 176.094 -0.101 0.000 1.039 18 V CA -0.707 61.528 62.300 -0.108 0.000 0.913 18 V CB 2.197 33.892 31.823 -0.212 0.000 0.983 18 V HN -0.197 nan 8.190 nan 0.000 0.460 19 V N 5.328 125.188 119.914 -0.091 0.000 2.432 19 V HA 0.748 4.866 4.120 -0.003 0.000 0.275 19 V C 1.004 177.051 176.094 -0.079 0.000 1.043 19 V CA 0.752 63.001 62.300 -0.084 0.000 0.925 19 V CB 0.338 32.121 31.823 -0.067 0.000 0.985 19 V HN 1.288 nan 8.190 nan 0.000 0.466 20 G N 3.906 112.666 108.800 -0.068 0.000 2.575 20 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.267 20 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.267 20 G C 0.031 174.895 174.900 -0.061 0.000 1.264 20 G CA 0.125 45.202 45.100 -0.038 0.000 0.935 20 G HN 1.074 nan 8.290 nan 0.000 0.568 21 Q N -1.740 118.045 119.800 -0.025 0.000 2.481 21 Q HA -0.207 4.132 4.340 -0.003 0.000 0.272 21 Q C 1.278 177.161 176.000 -0.195 0.000 1.157 21 Q CA 2.050 57.769 55.803 -0.141 0.000 0.935 21 Q CB -1.769 26.832 28.738 -0.228 0.000 1.338 21 Q HN 0.869 nan 8.270 nan 0.000 0.494 22 E N -0.001 120.185 120.200 -0.024 0.000 2.049 22 E HA -0.218 4.130 4.350 -0.003 0.000 0.198 22 E C 1.581 178.177 176.600 -0.006 0.000 1.007 22 E CA 2.109 58.508 56.400 -0.002 0.000 0.809 22 E CB -0.480 29.257 29.700 0.061 0.000 0.749 22 E HN 0.927 nan 8.360 nan 0.000 0.450 23 H N -1.413 117.691 119.070 0.056 0.000 2.518 23 H HA -0.009 4.545 4.556 -0.003 0.000 0.292 23 H C 1.592 177.009 175.328 0.149 0.000 1.068 23 H CA 1.202 57.312 56.048 0.104 0.000 1.275 23 H CB -0.180 29.652 29.762 0.117 0.000 1.375 23 H HN 0.030 nan 8.280 nan 0.000 0.563 24 V N 0.654 120.246 119.914 -0.536 0.000 2.492 24 V HA -0.072 4.046 4.120 -0.003 0.000 0.241 24 V C 2.533 178.451 176.094 -0.294 0.000 1.041 24 V CA 0.859 62.941 62.300 -0.364 0.000 1.057 24 V CB -0.386 31.162 31.823 -0.460 0.000 0.711 24 V HN 0.352 nan 8.190 nan 0.000 0.468 25 L N 0.225 121.290 121.223 -0.262 0.000 1.990 25 L HA -0.226 4.112 4.340 -0.003 0.000 0.213 25 L C 2.647 179.534 176.870 0.029 0.000 1.072 25 L CA 2.270 57.027 54.840 -0.139 0.000 0.755 25 L CB -1.184 40.800 42.059 -0.125 0.000 0.889 25 L HN 0.372 nan 8.230 nan 0.000 0.432 26 T N -0.190 114.381 114.554 0.029 0.000 2.803 26 T HA -0.190 4.158 4.350 -0.003 0.000 0.269 26 T C 1.934 176.693 174.700 0.099 0.000 1.052 26 T CA 1.277 63.421 62.100 0.074 0.000 1.136 26 T CB -0.261 68.654 68.868 0.078 0.000 0.864 26 T HN 0.476 nan 8.240 nan 0.000 0.467 27 A N 1.337 124.227 122.820 0.117 0.000 1.854 27 A HA 0.088 4.406 4.320 -0.003 0.000 0.214 27 A C 2.297 179.977 177.584 0.160 0.000 1.192 27 A CA 1.030 53.184 52.037 0.196 0.000 0.611 27 A CB -0.822 18.422 19.000 0.406 0.000 0.832 27 A HN 0.450 nan 8.150 nan 0.000 0.442 28 L N -0.439 120.822 121.223 0.063 0.000 2.012 28 L HA -0.224 4.114 4.340 -0.003 0.000 0.210 28 L C 3.091 180.019 176.870 0.097 0.000 1.073 28 L CA 1.291 56.175 54.840 0.074 0.000 0.748 28 L CB -0.673 41.407 42.059 0.035 0.000 0.891 28 L HN 0.426 nan 8.230 nan 0.000 0.431 29 A N 0.295 123.182 122.820 0.111 0.000 1.858 29 A HA -0.227 4.091 4.320 -0.003 0.000 0.216 29 A C 2.077 179.683 177.584 0.037 0.000 1.190 29 A CA 2.080 54.139 52.037 0.037 0.000 0.617 29 A CB -0.687 18.342 19.000 0.048 0.000 0.827 29 A HN 0.438 nan 8.150 nan 0.000 0.443 30 N N 0.111 118.852 118.700 0.068 0.000 2.272 30 N HA -0.106 4.632 4.740 -0.003 0.000 0.185 30 N C 1.658 177.215 175.510 0.079 0.000 1.014 30 N CA 1.417 54.508 53.050 0.069 0.000 0.870 30 N CB -0.598 37.940 38.487 0.085 0.000 0.975 30 N HN 0.517 nan 8.380 nan 0.000 0.433 31 G N 0.145 109.008 108.800 0.104 0.000 2.426 31 G HA2 -0.014 3.944 3.960 -0.003 0.000 0.214 31 G HA3 -0.014 3.944 3.960 -0.003 0.000 0.214 31 G C 1.628 176.584 174.900 0.094 0.000 1.156 31 G CA 0.019 45.193 45.100 0.123 0.000 0.802 31 G HN 0.189 nan 8.290 nan 0.000 0.534 32 L N 1.577 122.835 121.223 0.058 0.000 2.005 32 L HA -0.083 4.255 4.340 -0.003 0.000 0.207 32 L C 3.290 180.177 176.870 0.028 0.000 1.072 32 L CA 1.664 56.522 54.840 0.030 0.000 0.744 32 L CB -0.585 41.457 42.059 -0.028 0.000 0.895 32 L HN 0.371 nan 8.230 nan 0.000 0.433 33 S N -0.316 115.391 115.700 0.012 0.000 2.423 33 S HA -0.125 4.343 4.470 -0.003 0.000 0.231 33 S C 1.872 176.490 174.600 0.030 0.000 1.014 33 S CA 0.745 58.953 58.200 0.013 0.000 0.965 33 S CB -0.523 62.677 63.200 -0.001 0.000 0.785 33 S HN 0.348 nan 8.310 nan 0.000 0.495 34 L N 1.105 122.354 121.223 0.042 0.000 2.552 34 L HA 0.178 4.517 4.340 -0.003 0.000 0.227 34 L C 1.935 178.838 176.870 0.055 0.000 1.146 34 L CA 0.549 55.418 54.840 0.048 0.000 0.858 34 L CB -0.744 41.349 42.059 0.056 0.000 0.969 34 L HN 0.622 nan 8.230 nan 0.000 0.451 35 G N 0.659 109.497 108.800 0.063 0.000 2.196 35 G HA2 -0.344 3.614 3.960 -0.003 0.000 0.268 35 G HA3 -0.344 3.614 3.960 -0.003 0.000 0.268 35 G C 0.427 175.377 174.900 0.083 0.000 0.975 35 G CA 0.130 45.274 45.100 0.074 0.000 0.648 35 G HN 0.438 nan 8.290 nan 0.000 0.538 36 R N 0.236 120.786 120.500 0.084 0.000 2.308 36 R HA 0.482 4.820 4.340 -0.003 0.000 0.325 36 R C -0.028 176.348 176.300 0.127 0.000 1.161 36 R CA -0.071 56.080 56.100 0.086 0.000 1.022 36 R CB 0.326 30.671 30.300 0.075 0.000 1.091 36 R HN 0.340 nan 8.270 nan 0.000 0.497 37 I N 2.989 123.637 120.570 0.130 0.000 2.382 37 I HA 0.174 4.342 4.170 -0.003 0.000 0.286 37 I C 0.829 177.049 176.117 0.172 0.000 1.002 37 I CA -0.821 60.604 61.300 0.207 0.000 1.135 37 I CB 1.164 39.258 38.000 0.157 0.000 1.288 37 I HN 0.477 nan 8.210 nan 0.000 0.448 38 H N 6.076 125.185 119.070 0.066 0.000 2.711 38 H HA 0.074 4.628 4.556 -0.003 0.000 0.381 38 H C 0.723 176.002 175.328 -0.081 0.000 1.535 38 H CA 0.921 56.825 56.048 -0.240 0.000 1.470 38 H CB 0.890 30.226 29.762 -0.711 0.000 1.551 38 H HN 0.662 nan 8.280 nan 0.000 0.613 39 H N -0.688 118.541 119.070 0.265 0.000 2.827 39 H HA 0.455 5.009 4.556 -0.003 0.000 0.269 39 H C -0.534 174.990 175.328 0.327 0.000 1.031 39 H CA 0.150 56.352 56.048 0.257 0.000 1.202 39 H CB 0.681 30.554 29.762 0.185 0.000 1.511 39 H HN 0.370 nan 8.280 nan 0.000 0.517 40 A N 1.286 124.190 122.820 0.140 0.000 2.457 40 A HA 0.471 4.789 4.320 -0.003 0.000 0.283 40 A C -1.899 175.484 177.584 -0.334 0.000 1.166 40 A CA -0.576 51.505 52.037 0.073 0.000 0.740 40 A CB 0.444 19.514 19.000 0.118 0.000 1.181 40 A HN 0.238 nan 8.150 nan 0.000 0.446 41 Y N 1.522 121.789 120.300 -0.056 0.000 2.330 41 Y HA 0.577 5.125 4.550 -0.003 0.000 0.336 41 Y C -0.013 175.713 175.900 -0.289 0.000 1.036 41 Y CA -0.709 57.265 58.100 -0.210 0.000 1.125 41 Y CB 1.860 40.219 38.460 -0.169 0.000 1.194 41 Y HN 0.642 nan 8.280 nan 0.000 0.469 42 L N 4.320 125.376 121.223 -0.279 0.000 2.341 42 L HA 0.683 5.021 4.340 -0.003 0.000 0.278 42 L C -1.945 174.761 176.870 -0.273 0.000 1.005 42 L CA -0.708 54.016 54.840 -0.194 0.000 0.818 42 L CB 0.530 42.529 42.059 -0.100 0.000 1.259 42 L HN 0.365 nan 8.230 nan 0.000 0.418 43 F N 3.199 123.248 119.950 0.165 0.000 2.493 43 F HA 0.746 5.271 4.527 -0.003 0.000 0.329 43 F C 0.130 175.968 175.800 0.063 0.000 1.126 43 F CA -0.305 57.774 58.000 0.131 0.000 0.937 43 F CB 2.159 41.212 39.000 0.089 0.000 1.146 43 F HN 0.598 nan 8.300 nan 0.000 0.442 44 S N 0.999 116.810 115.700 0.185 0.000 2.627 44 S HA 1.021 5.489 4.470 -0.003 0.000 0.283 44 S C -0.375 174.000 174.600 -0.375 0.000 1.127 44 S CA -0.703 57.491 58.200 -0.010 0.000 0.863 44 S CB 2.081 65.345 63.200 0.106 0.000 1.121 44 S HN 1.308 nan 8.310 nan 0.000 0.479 45 G N 0.593 109.198 108.800 -0.325 0.000 2.359 45 G HA2 0.374 4.333 3.960 -0.003 0.000 0.314 45 G HA3 0.374 4.333 3.960 -0.003 0.000 0.314 45 G C -0.593 174.264 174.900 -0.071 0.000 1.364 45 G CA -0.358 44.551 45.100 -0.319 0.000 0.978 45 G HN 1.163 nan 8.290 nan 0.000 0.615 46 T N -0.133 114.411 114.554 -0.016 0.000 2.788 46 T HA 0.546 4.894 4.350 -0.003 0.000 0.287 46 T C 1.007 175.707 174.700 0.001 0.000 1.007 46 T CA -0.234 61.870 62.100 0.007 0.000 1.005 46 T CB 0.632 69.511 68.868 0.019 0.000 1.012 46 T HN 1.176 nan 8.240 nan 0.000 0.530 47 R N 0.472 120.978 120.500 0.009 0.000 2.494 47 R HA 0.178 4.516 4.340 -0.003 0.000 0.291 47 R C 0.855 177.157 176.300 0.003 0.000 0.953 47 R CA 0.715 56.822 56.100 0.011 0.000 1.098 47 R CB -1.541 28.768 30.300 0.016 0.000 0.911 47 R HN 1.494 nan 8.270 nan 0.000 0.407 48 G N 1.790 110.589 108.800 -0.002 0.000 2.149 48 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.235 48 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.235 48 G C 0.124 175.013 174.900 -0.019 0.000 1.018 48 G CA -0.022 45.073 45.100 -0.007 0.000 0.728 48 G HN 0.533 nan 8.290 nan 0.000 0.508 49 V N -0.920 118.976 119.914 -0.031 0.000 3.528 49 V HA 0.603 4.721 4.120 -0.003 0.000 0.294 49 V C 1.867 177.915 176.094 -0.075 0.000 1.404 49 V CA 0.856 63.132 62.300 -0.041 0.000 1.065 49 V CB 0.338 32.143 31.823 -0.030 0.000 0.904 49 V HN 1.955 nan 8.190 nan 0.000 0.435 50 G N 1.677 110.423 108.800 -0.090 0.000 2.145 50 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.145 50 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.145 50 G C 0.741 175.513 174.900 -0.212 0.000 1.017 50 G CA 0.285 45.302 45.100 -0.139 0.000 0.682 50 G HN 0.515 nan 8.290 nan 0.000 0.504 51 K N -0.638 119.658 120.400 -0.173 0.000 2.007 51 K HA 0.016 4.335 4.320 -0.003 0.000 0.206 51 K C 2.109 178.565 176.600 -0.240 0.000 1.047 51 K CA 1.602 57.743 56.287 -0.243 0.000 0.937 51 K CB -0.716 31.739 32.500 -0.076 0.000 0.718 51 K HN 0.102 nan 8.250 nan 0.000 0.438 52 T N 1.526 116.013 114.554 -0.111 0.000 2.822 52 T HA -0.115 4.233 4.350 -0.003 0.000 0.270 52 T C 2.002 176.631 174.700 -0.119 0.000 1.064 52 T CA 1.860 63.915 62.100 -0.075 0.000 1.131 52 T CB -0.259 68.595 68.868 -0.023 0.000 0.858 52 T HN 0.446 nan 8.240 nan 0.000 0.483 53 S N 0.228 115.832 115.700 -0.160 0.000 2.483 53 S HA 0.261 4.729 4.470 -0.003 0.000 0.221 53 S C 1.965 176.421 174.600 -0.239 0.000 1.030 53 S CA -0.138 57.969 58.200 -0.155 0.000 0.925 53 S CB -0.166 62.966 63.200 -0.114 0.000 0.795 53 S HN 0.392 nan 8.310 nan 0.000 0.511 54 I N 2.291 122.636 120.570 -0.375 0.000 2.353 54 I HA -0.105 4.063 4.170 -0.003 0.000 0.248 54 I C 2.887 178.708 176.117 -0.494 0.000 1.119 54 I CA 1.002 61.979 61.300 -0.539 0.000 1.417 54 I CB -0.474 37.087 38.000 -0.732 0.000 1.078 54 I HN 0.351 nan 8.210 nan 0.000 0.421 55 A N 1.019 123.547 122.820 -0.486 0.000 1.940 55 A HA -0.225 4.093 4.320 -0.003 0.000 0.219 55 A C 2.370 179.896 177.584 -0.098 0.000 1.176 55 A CA 1.610 53.505 52.037 -0.237 0.000 0.631 55 A CB -0.508 18.452 19.000 -0.068 0.000 0.814 55 A HN 0.338 nan 8.150 nan 0.000 0.446 56 R N -0.839 119.600 120.500 -0.103 0.000 2.062 56 R HA 0.104 4.442 4.340 -0.003 0.000 0.226 56 R C 2.101 178.382 176.300 -0.032 0.000 1.125 56 R CA 1.124 57.196 56.100 -0.047 0.000 0.966 56 R CB -0.491 29.784 30.300 -0.043 0.000 0.861 56 R HN 0.471 nan 8.270 nan 0.000 0.433 57 L N 0.794 121.993 121.223 -0.039 0.000 2.043 57 L HA -0.244 4.094 4.340 -0.003 0.000 0.212 57 L C 2.398 179.379 176.870 0.184 0.000 1.075 57 L CA 0.819 55.714 54.840 0.092 0.000 0.752 57 L CB -0.507 41.609 42.059 0.096 0.000 0.891 57 L HN 0.206 nan 8.230 nan 0.000 0.432 58 L N 0.253 121.537 121.223 0.101 0.000 1.970 58 L HA -0.221 4.117 4.340 -0.003 0.000 0.212 58 L C 2.697 179.565 176.870 -0.004 0.000 1.071 58 L CA 2.255 57.139 54.840 0.073 0.000 0.751 58 L CB -1.153 40.887 42.059 -0.032 0.000 0.889 58 L HN 0.189 nan 8.230 nan 0.000 0.432 59 A N -0.478 122.334 122.820 -0.012 0.000 1.903 59 A HA -0.355 3.963 4.320 -0.003 0.000 0.219 59 A C 2.496 180.063 177.584 -0.029 0.000 1.191 59 A CA 2.518 54.549 52.037 -0.010 0.000 0.638 59 A CB -0.857 18.152 19.000 0.014 0.000 0.823 59 A HN 0.578 nan 8.150 nan 0.000 0.451 60 K N -0.961 119.409 120.400 -0.050 0.000 2.063 60 K HA -0.150 4.168 4.320 -0.003 0.000 0.208 60 K C 1.956 178.501 176.600 -0.092 0.000 1.048 60 K CA 1.541 57.768 56.287 -0.100 0.000 0.928 60 K CB -0.508 31.946 32.500 -0.076 0.000 0.713 60 K HN 0.443 nan 8.250 nan 0.000 0.442 61 G N 0.629 109.385 108.800 -0.073 0.000 2.511 61 G HA2 -0.127 3.831 3.960 -0.003 0.000 0.217 61 G HA3 -0.127 3.831 3.960 -0.003 0.000 0.217 61 G C 1.341 176.213 174.900 -0.047 0.000 1.133 61 G CA 0.084 45.120 45.100 -0.106 0.000 0.792 61 G HN 0.213 nan 8.290 nan 0.000 0.539 62 L N -0.087 121.130 121.223 -0.009 0.000 2.478 62 L HA 0.174 4.512 4.340 -0.003 0.000 0.223 62 L C 1.704 178.705 176.870 0.217 0.000 1.140 62 L CA 0.331 55.220 54.840 0.081 0.000 0.842 62 L CB 0.138 42.190 42.059 -0.011 0.000 0.953 62 L HN 0.111 nan 8.230 nan 0.000 0.452 63 N N -1.914 116.842 118.700 0.094 0.000 2.143 63 N HA 0.046 4.785 4.740 -0.003 0.000 0.222 63 N C -0.155 175.350 175.510 -0.008 0.000 1.264 63 N CA -0.153 52.954 53.050 0.095 0.000 0.897 63 N CB 0.444 38.981 38.487 0.084 0.000 1.092 63 N HN 0.065 nan 8.380 nan 0.000 0.516 64 C N 1.982 121.257 119.300 -0.041 0.000 2.590 64 C HA 0.039 4.497 4.460 -0.003 0.000 0.411 64 C C 1.937 176.907 174.990 -0.034 0.000 1.420 64 C CA 0.066 59.046 59.018 -0.064 0.000 1.643 64 C CB -0.392 27.307 27.740 -0.069 0.000 2.528 64 C HN 0.438 nan 8.230 nan 0.000 0.606 65 E N 1.794 121.973 120.200 -0.036 0.000 2.331 65 E HA -0.191 4.157 4.350 -0.003 0.000 0.199 65 E C 2.048 178.637 176.600 -0.018 0.000 1.008 65 E CA 1.772 58.161 56.400 -0.017 0.000 0.843 65 E CB 0.056 29.748 29.700 -0.014 0.000 0.761 65 E HN 1.000 nan 8.360 nan 0.000 0.507 66 T N -2.211 112.328 114.554 -0.025 0.000 3.055 66 T HA 0.190 4.538 4.350 -0.003 0.000 0.265 66 T C 0.764 175.454 174.700 -0.018 0.000 1.111 66 T CA 0.566 62.652 62.100 -0.023 0.000 1.118 66 T CB 0.522 69.372 68.868 -0.031 0.000 0.909 66 T HN 0.218 nan 8.240 nan 0.000 0.501 67 G N 0.373 109.165 108.800 -0.014 0.000 2.317 67 G HA2 0.211 4.169 3.960 -0.003 0.000 0.445 67 G HA3 0.211 4.169 3.960 -0.003 0.000 0.445 67 G C -1.011 173.894 174.900 0.008 0.000 1.486 67 G CA -0.911 44.188 45.100 -0.002 0.000 0.991 67 G HN 0.388 nan 8.290 nan 0.000 0.660 68 I N 1.817 122.411 120.570 0.041 0.000 2.792 68 I HA 0.248 4.416 4.170 -0.003 0.000 0.284 68 I C 0.955 177.074 176.117 0.003 0.000 1.166 68 I CA 1.001 62.339 61.300 0.063 0.000 1.375 68 I CB 0.305 38.377 38.000 0.119 0.000 1.421 68 I HN 0.544 nan 8.210 nan 0.000 0.544 69 T N 3.987 118.513 114.554 -0.047 0.000 2.883 69 T HA 0.586 4.934 4.350 -0.003 0.000 0.296 69 T C 0.602 175.188 174.700 -0.190 0.000 1.117 69 T CA -0.061 61.982 62.100 -0.095 0.000 1.006 69 T CB 1.848 70.662 68.868 -0.091 0.000 1.191 69 T HN 0.535 nan 8.240 nan 0.000 0.508 70 A N 1.146 123.820 122.820 -0.243 0.000 2.132 70 A HA 0.267 4.585 4.320 -0.003 0.000 0.213 70 A C 1.038 178.267 177.584 -0.591 0.000 1.154 70 A CA 0.943 52.699 52.037 -0.468 0.000 0.753 70 A CB -0.311 18.479 19.000 -0.349 0.000 0.826 70 A HN 0.876 nan 8.150 nan 0.000 0.469 71 T N 0.593 114.953 114.554 -0.324 0.000 3.253 71 T HA 0.492 4.840 4.350 -0.003 0.000 0.391 71 T C -2.729 171.867 174.700 -0.173 0.000 1.527 71 T CA -1.925 60.031 62.100 -0.240 0.000 1.268 71 T CB 1.013 69.794 68.868 -0.145 0.000 1.126 71 T HN 0.162 nan 8.240 nan 0.000 0.620 72 P HA 0.140 nan 4.420 nan 0.000 0.269 72 P C 1.149 178.396 177.300 -0.089 0.000 1.215 72 P CA -0.550 62.476 63.100 -0.124 0.000 0.780 72 P CB 0.810 32.440 31.700 -0.118 0.000 0.898 73 C N -1.222 118.033 119.300 -0.076 0.000 2.618 73 C HA 0.391 4.849 4.460 -0.003 0.000 0.264 73 C C 1.855 176.813 174.990 -0.053 0.000 1.334 73 C CA 0.333 59.316 59.018 -0.059 0.000 1.731 73 C CB -1.556 26.153 27.740 -0.051 0.000 1.852 73 C HN 0.760 nan 8.230 nan 0.000 0.566 74 G N 1.028 109.790 108.800 -0.062 0.000 2.200 74 G HA2 -0.301 3.657 3.960 -0.003 0.000 0.267 74 G HA3 -0.301 3.657 3.960 -0.003 0.000 0.267 74 G C 0.799 175.668 174.900 -0.053 0.000 0.993 74 G CA 1.503 46.568 45.100 -0.058 0.000 0.701 74 G HN 1.638 nan 8.290 nan 0.000 0.524 75 V N -2.493 117.390 119.914 -0.051 0.000 3.058 75 V HA 0.252 4.370 4.120 -0.003 0.000 0.233 75 V C 2.149 178.219 176.094 -0.040 0.000 1.255 75 V CA 0.949 63.224 62.300 -0.041 0.000 1.267 75 V CB -0.589 31.215 31.823 -0.032 0.000 1.049 75 V HN 1.425 nan 8.190 nan 0.000 0.486 76 C N 2.232 121.506 119.300 -0.044 0.000 2.608 76 C HA 0.123 4.581 4.460 -0.003 0.000 0.407 76 C C 1.777 176.743 174.990 -0.041 0.000 1.322 76 C CA 0.608 59.603 59.018 -0.038 0.000 1.778 76 C CB -0.395 27.321 27.740 -0.041 0.000 2.654 76 C HN 0.680 nan 8.230 nan 0.000 0.622 77 D N 2.409 122.800 120.400 -0.015 0.000 2.204 77 D HA -0.180 4.458 4.640 -0.003 0.000 0.189 77 D C 1.735 178.024 176.300 -0.018 0.000 1.006 77 D CA 2.491 56.494 54.000 0.005 0.000 0.855 77 D CB -0.380 40.443 40.800 0.039 0.000 0.946 77 D HN 0.822 nan 8.370 nan 0.000 0.448 78 N N -0.576 118.097 118.700 -0.046 0.000 2.132 78 N HA -0.145 4.593 4.740 -0.003 0.000 0.191 78 N C 1.851 177.116 175.510 -0.409 0.000 1.015 78 N CA 0.933 53.822 53.050 -0.268 0.000 0.864 78 N CB -0.587 37.757 38.487 -0.239 0.000 1.006 78 N HN 0.302 nan 8.380 nan 0.000 0.430 79 C N 0.008 119.173 119.300 -0.225 0.000 2.544 79 C HA 0.130 4.588 4.460 -0.003 0.000 0.280 79 C C 2.581 177.482 174.990 -0.148 0.000 1.295 79 C CA -0.024 58.874 59.018 -0.199 0.000 1.702 79 C CB -0.763 26.898 27.740 -0.131 0.000 2.090 79 C HN 0.463 nan 8.230 nan 0.000 0.493 80 R N 0.849 121.292 120.500 -0.095 0.000 2.091 80 R HA -0.170 4.169 4.340 -0.003 0.000 0.238 80 R C 2.049 178.320 176.300 -0.048 0.000 1.136 80 R CA 1.578 57.641 56.100 -0.061 0.000 0.959 80 R CB -0.364 29.912 30.300 -0.039 0.000 0.856 80 R HN 0.641 nan 8.270 nan 0.000 0.437 81 E N 0.193 120.370 120.200 -0.039 0.000 2.204 81 E HA -0.173 4.175 4.350 -0.003 0.000 0.195 81 E C 1.847 178.460 176.600 0.021 0.000 0.990 81 E CA 0.941 57.358 56.400 0.029 0.000 0.821 81 E CB 0.004 29.790 29.700 0.144 0.000 0.750 81 E HN 0.401 nan 8.360 nan 0.000 0.477 82 I N 0.609 121.115 120.570 -0.107 0.000 2.617 82 I HA -0.164 4.004 4.170 -0.003 0.000 0.256 82 I C 2.061 178.153 176.117 -0.042 0.000 1.167 82 I CA 0.774 62.023 61.300 -0.086 0.000 1.469 82 I CB -0.182 37.689 38.000 -0.215 0.000 1.098 82 I HN 0.072 nan 8.210 nan 0.000 0.436 83 E N 0.847 121.015 120.200 -0.054 0.000 2.150 83 E HA -0.216 4.133 4.350 -0.003 0.000 0.193 83 E C 1.654 178.239 176.600 -0.024 0.000 0.985 83 E CA 0.962 57.337 56.400 -0.042 0.000 0.814 83 E CB 0.034 29.703 29.700 -0.051 0.000 0.752 83 E HN 0.567 nan 8.360 nan 0.000 0.466 84 Q N -0.822 118.972 119.800 -0.011 0.000 2.320 84 Q HA 0.124 4.462 4.340 -0.003 0.000 0.201 84 Q C 0.758 176.770 176.000 0.020 0.000 0.910 84 Q CA 0.331 56.135 55.803 0.001 0.000 0.946 84 Q CB 1.051 29.792 28.738 0.004 0.000 1.062 84 Q HN 0.337 nan 8.270 nan 0.000 0.503 85 G N 2.546 111.365 108.800 0.031 0.000 2.179 85 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.257 85 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.257 85 G C 0.184 175.126 174.900 0.069 0.000 1.010 85 G CA 0.610 45.740 45.100 0.050 0.000 0.736 85 G HN 0.486 nan 8.290 nan 0.000 0.513 86 R N -1.385 119.167 120.500 0.087 0.000 2.989 86 R HA 0.594 4.932 4.340 -0.003 0.000 0.340 86 R C -0.416 175.978 176.300 0.156 0.000 1.205 86 R CA -0.955 55.198 56.100 0.089 0.000 1.235 86 R CB 0.340 30.673 30.300 0.056 0.000 1.394 86 R HN 0.231 nan 8.270 nan 0.000 0.598 87 F N 1.374 121.319 119.950 -0.008 0.000 2.411 87 F HA 0.252 4.777 4.527 -0.003 0.000 0.352 87 F C 1.210 177.003 175.800 -0.012 0.000 1.123 87 F CA -1.562 56.432 58.000 -0.010 0.000 1.044 87 F CB 1.515 40.508 39.000 -0.011 0.000 1.135 87 F HN -0.085 nan 8.300 nan 0.000 0.461 88 V N 3.779 123.412 119.914 -0.469 0.000 2.453 88 V HA -0.270 3.848 4.120 -0.003 0.000 0.252 88 V C 1.162 176.943 176.094 -0.521 0.000 1.068 88 V CA 2.207 64.253 62.300 -0.424 0.000 1.070 88 V CB -0.512 31.118 31.823 -0.322 0.000 0.664 88 V HN 0.701 nan 8.190 nan 0.000 0.461 89 D N -0.552 119.253 120.400 -0.991 0.000 2.402 89 D HA 0.222 4.860 4.640 -0.003 0.000 0.216 89 D C 0.087 176.297 176.300 -0.150 0.000 1.128 89 D CA -0.067 53.623 54.000 -0.518 0.000 0.833 89 D CB 1.037 41.564 40.800 -0.456 0.000 0.971 89 D HN 0.319 nan 8.370 nan 0.000 0.503 90 L N 1.952 123.194 121.223 0.032 0.000 2.277 90 L HA 0.352 4.690 4.340 -0.003 0.000 0.284 90 L C -0.561 176.312 176.870 0.005 0.000 1.028 90 L CA -0.468 54.432 54.840 0.101 0.000 0.835 90 L CB 0.564 42.775 42.059 0.255 0.000 1.215 90 L HN -0.129 nan 8.230 nan 0.000 0.425 91 I N 3.881 124.404 120.570 -0.079 0.000 2.282 91 I HA 0.285 4.453 4.170 -0.003 0.000 0.290 91 I C 0.165 176.334 176.117 0.087 0.000 1.090 91 I CA -0.348 60.947 61.300 -0.008 0.000 1.231 91 I CB 0.487 38.466 38.000 -0.034 0.000 1.434 91 I HN 0.629 nan 8.210 nan 0.000 0.487 92 E N 6.340 126.588 120.200 0.081 0.000 2.152 92 E HA 0.406 4.754 4.350 -0.003 0.000 0.285 92 E C -0.798 175.859 176.600 0.095 0.000 1.043 92 E CA -0.415 56.040 56.400 0.091 0.000 0.839 92 E CB 1.104 30.845 29.700 0.069 0.000 1.069 92 E HN 0.557 nan 8.360 nan 0.000 0.399 93 I N 3.912 124.551 120.570 0.115 0.000 2.339 93 I HA 0.060 4.228 4.170 -0.003 0.000 0.290 93 I C -0.206 175.947 176.117 0.061 0.000 0.994 93 I CA -0.556 60.801 61.300 0.096 0.000 1.191 93 I CB 1.288 39.361 38.000 0.123 0.000 1.343 93 I HN 0.443 nan 8.210 nan 0.000 0.458 94 D N 6.520 126.942 120.400 0.037 0.000 2.470 94 D HA 0.186 4.824 4.640 -0.003 0.000 0.226 94 D C 1.107 177.402 176.300 -0.008 0.000 1.196 94 D CA 0.052 54.062 54.000 0.017 0.000 0.979 94 D CB 1.132 41.940 40.800 0.013 0.000 1.059 94 D HN 0.651 nan 8.370 nan 0.000 0.515 95 A N 3.779 126.587 122.820 -0.020 0.000 1.958 95 A HA -0.209 4.109 4.320 -0.003 0.000 0.221 95 A C 2.132 179.663 177.584 -0.088 0.000 1.178 95 A CA 1.945 53.944 52.037 -0.062 0.000 0.642 95 A CB -0.519 18.430 19.000 -0.087 0.000 0.816 95 A HN 0.601 nan 8.150 nan 0.000 0.453 96 A N -1.263 121.507 122.820 -0.084 0.000 2.178 96 A HA 0.079 4.397 4.320 -0.003 0.000 0.218 96 A C 2.178 179.735 177.584 -0.045 0.000 1.157 96 A CA 1.878 53.868 52.037 -0.077 0.000 0.689 96 A CB -0.356 18.609 19.000 -0.058 0.000 0.787 96 A HN 0.481 nan 8.150 nan 0.000 0.465 97 S N -0.992 114.687 115.700 -0.034 0.000 2.599 97 S HA 0.113 4.581 4.470 -0.003 0.000 0.236 97 S C 1.022 175.605 174.600 -0.028 0.000 1.077 97 S CA -0.296 57.890 58.200 -0.023 0.000 0.906 97 S CB 0.117 63.312 63.200 -0.009 0.000 0.804 97 S HN 0.469 nan 8.310 nan 0.000 0.497 98 R N 3.369 123.850 120.500 -0.031 0.000 4.680 98 R HA 0.166 4.504 4.340 -0.003 0.000 0.222 98 R C 0.931 177.191 176.300 -0.068 0.000 1.803 98 R CA 0.234 56.311 56.100 -0.038 0.000 1.560 98 R CB -1.163 29.121 30.300 -0.025 0.000 1.412 98 R HN 0.536 nan 8.270 nan 0.000 0.815 99 T N -2.645 111.865 114.554 -0.073 0.000 3.043 99 T HA 0.042 4.390 4.350 -0.003 0.000 0.263 99 T C 0.870 175.506 174.700 -0.108 0.000 1.094 99 T CA 0.424 62.460 62.100 -0.106 0.000 1.127 99 T CB 0.502 69.315 68.868 -0.091 0.000 0.905 99 T HN 0.155 nan 8.240 nan 0.000 0.490 100 K N 0.647 121.003 120.400 -0.075 0.000 2.118 100 K HA 0.393 4.711 4.320 -0.003 0.000 0.240 100 K C 1.247 177.811 176.600 -0.061 0.000 1.035 100 K CA -0.441 55.808 56.287 -0.064 0.000 0.899 100 K CB 1.017 33.487 32.500 -0.050 0.000 1.085 100 K HN -0.158 nan 8.250 nan 0.000 0.498 101 V N 1.170 121.059 119.914 -0.042 0.000 2.407 101 V HA -0.159 3.959 4.120 -0.003 0.000 0.245 101 V C 1.809 177.887 176.094 -0.026 0.000 1.041 101 V CA 1.520 63.807 62.300 -0.021 0.000 1.040 101 V CB -0.441 31.397 31.823 0.024 0.000 0.671 101 V HN 0.648 nan 8.190 nan 0.000 0.455 102 E N 0.300 120.484 120.200 -0.026 0.000 2.396 102 E HA -0.194 4.155 4.350 -0.003 0.000 0.200 102 E C 1.596 178.181 176.600 -0.024 0.000 1.023 102 E CA 0.961 57.348 56.400 -0.022 0.000 0.857 102 E CB -0.222 29.466 29.700 -0.021 0.000 0.775 102 E HN 0.632 nan 8.360 nan 0.000 0.525 103 D N -0.348 120.033 120.400 -0.032 0.000 2.290 103 D HA -0.016 4.622 4.640 -0.003 0.000 0.224 103 D C 1.784 178.059 176.300 -0.040 0.000 0.967 103 D CA 1.066 55.047 54.000 -0.031 0.000 0.893 103 D CB -0.348 40.431 40.800 -0.036 0.000 1.037 103 D HN 0.062 nan 8.370 nan 0.000 0.477 104 T N 1.333 115.853 114.554 -0.057 0.000 2.737 104 T HA -0.165 4.183 4.350 -0.003 0.000 0.269 104 T C 1.978 176.640 174.700 -0.063 0.000 1.040 104 T CA 1.059 63.115 62.100 -0.073 0.000 1.142 104 T CB -0.043 68.770 68.868 -0.092 0.000 0.861 104 T HN 0.107 nan 8.240 nan 0.000 0.456 105 R N 0.766 121.239 120.500 -0.045 0.000 2.081 105 R HA -0.085 4.253 4.340 -0.003 0.000 0.235 105 R C 2.197 178.473 176.300 -0.040 0.000 1.131 105 R CA 1.507 57.584 56.100 -0.039 0.000 0.960 105 R CB -0.218 30.068 30.300 -0.023 0.000 0.856 105 R HN 0.352 nan 8.270 nan 0.000 0.436 106 D N 0.465 120.847 120.400 -0.031 0.000 2.178 106 D HA -0.118 4.520 4.640 -0.003 0.000 0.202 106 D C 1.901 178.181 176.300 -0.032 0.000 0.974 106 D CA 0.959 54.945 54.000 -0.024 0.000 0.841 106 D CB -0.074 40.722 40.800 -0.006 0.000 0.953 106 D HN 0.186 nan 8.370 nan 0.000 0.478 107 L N 0.184 121.378 121.223 -0.047 0.000 2.005 107 L HA -0.131 4.207 4.340 -0.003 0.000 0.207 107 L C 2.574 179.368 176.870 -0.126 0.000 1.072 107 L CA 0.742 55.534 54.840 -0.079 0.000 0.744 107 L CB -0.497 41.499 42.059 -0.104 0.000 0.895 107 L HN 0.018 nan 8.230 nan 0.000 0.433 108 L N -0.350 120.806 121.223 -0.112 0.000 1.971 108 L HA -0.292 4.046 4.340 -0.003 0.000 0.215 108 L C 2.318 179.131 176.870 -0.095 0.000 1.072 108 L CA 1.441 56.223 54.840 -0.097 0.000 0.758 108 L CB -0.879 41.135 42.059 -0.075 0.000 0.889 108 L HN 0.280 nan 8.230 nan 0.000 0.433 109 D N 0.077 120.422 120.400 -0.093 0.000 2.220 109 D HA -0.186 4.452 4.640 -0.003 0.000 0.198 109 D C 1.452 177.605 176.300 -0.245 0.000 1.001 109 D CA 1.219 55.142 54.000 -0.129 0.000 0.875 109 D CB -0.322 40.425 40.800 -0.089 0.000 0.921 109 D HN 0.274 nan 8.370 nan 0.000 0.454 110 N N -0.367 118.224 118.700 -0.182 0.000 2.295 110 N HA 0.040 4.778 4.740 -0.003 0.000 0.221 110 N C 1.158 176.636 175.510 -0.053 0.000 1.129 110 N CA -0.022 52.900 53.050 -0.215 0.000 0.836 110 N CB 0.886 39.364 38.487 -0.015 0.000 1.040 110 N HN 0.066 nan 8.380 nan 0.000 0.494 111 V N 1.088 120.972 119.914 -0.048 0.000 2.446 111 V HA -0.212 3.906 4.120 -0.003 0.000 0.244 111 V C 2.384 178.541 176.094 0.105 0.000 1.039 111 V CA 1.317 63.665 62.300 0.081 0.000 1.045 111 V CB -0.279 31.567 31.823 0.038 0.000 0.681 111 V HN 0.368 nan 8.190 nan 0.000 0.459 112 Q N -0.033 119.776 119.800 0.015 0.000 2.029 112 Q HA -0.232 4.106 4.340 -0.003 0.000 0.209 112 Q C 0.454 176.635 176.000 0.303 0.000 0.999 112 Q CA 1.710 57.584 55.803 0.119 0.000 0.857 112 Q CB -0.948 27.803 28.738 0.021 0.000 0.926 112 Q HN 0.513 nan 8.270 nan 0.000 0.415 113 Y N 1.655 122.051 120.300 0.160 0.000 2.811 113 Y HA 0.203 4.751 4.550 -0.003 0.000 0.334 113 Y C 0.875 176.890 175.900 0.191 0.000 1.247 113 Y CA -0.666 57.508 58.100 0.123 0.000 1.526 113 Y CB -0.500 38.010 38.460 0.084 0.000 1.284 113 Y HN 0.318 nan 8.280 nan 0.000 0.586 114 A N 6.227 129.180 122.820 0.222 0.000 2.327 114 A HA 0.462 4.780 4.320 -0.003 0.000 0.255 114 A C -2.082 175.581 177.584 0.132 0.000 1.099 114 A CA -1.344 50.752 52.037 0.098 0.000 0.801 114 A CB -0.572 18.359 19.000 -0.114 0.000 1.062 114 A HN 0.557 nan 8.150 nan 0.000 0.496 115 P HA 0.320 nan 4.420 nan 0.000 0.279 115 P C 0.300 177.583 177.300 -0.028 0.000 1.239 115 P CA 0.249 63.369 63.100 0.034 0.000 0.789 115 P CB 1.501 33.231 31.700 0.050 0.000 0.933 116 A N 3.739 126.512 122.820 -0.078 0.000 1.930 116 A HA -0.061 4.258 4.320 -0.003 0.000 0.215 116 A C 1.971 179.504 177.584 -0.085 0.000 1.176 116 A CA 1.117 53.103 52.037 -0.085 0.000 0.632 116 A CB -0.254 18.680 19.000 -0.110 0.000 0.819 116 A HN 0.402 nan 8.150 nan 0.000 0.445 117 R N -1.916 118.514 120.500 -0.117 0.000 2.561 117 R HA 0.168 4.506 4.340 -0.003 0.000 0.213 117 R C 0.993 177.322 176.300 0.048 0.000 0.885 117 R CA 0.866 56.934 56.100 -0.052 0.000 1.002 117 R CB 0.204 30.453 30.300 -0.086 0.000 1.432 117 R HN 0.429 nan 8.270 nan 0.000 0.651 118 G N -0.464 108.372 108.800 0.061 0.000 2.705 118 G HA2 0.306 4.264 3.960 -0.003 0.000 0.299 118 G HA3 0.306 4.264 3.960 -0.003 0.000 0.299 118 G C 0.450 175.374 174.900 0.040 0.000 1.315 118 G CA -0.446 44.760 45.100 0.177 0.000 1.045 118 G HN -0.026 nan 8.290 nan 0.000 0.517 119 R N -1.547 118.946 120.500 -0.012 0.000 2.115 119 R HA 0.096 4.434 4.340 -0.003 0.000 0.226 119 R C -0.331 175.702 176.300 -0.445 0.000 1.100 119 R CA 0.920 56.846 56.100 -0.290 0.000 0.980 119 R CB -0.059 29.973 30.300 -0.447 0.000 0.875 119 R HN 0.336 nan 8.270 nan 0.000 0.445 120 F N -0.238 119.766 119.950 0.089 0.000 2.578 120 F HA 0.340 4.866 4.527 -0.003 0.000 0.311 120 F C -0.209 175.595 175.800 0.006 0.000 1.094 120 F CA -1.099 56.937 58.000 0.060 0.000 0.923 120 F CB 1.581 40.606 39.000 0.041 0.000 1.230 120 F HN -0.421 nan 8.300 nan 0.000 0.450 121 K N 2.392 122.864 120.400 0.120 0.000 2.310 121 K HA 0.500 4.818 4.320 -0.003 0.000 0.290 121 K C -1.181 175.276 176.600 -0.239 0.000 1.077 121 K CA -0.186 56.026 56.287 -0.124 0.000 0.922 121 K CB 0.573 32.953 32.500 -0.200 0.000 1.057 121 K HN 0.445 nan 8.250 nan 0.000 0.479 122 V N 6.194 125.980 119.914 -0.214 0.000 2.328 122 V HA 0.185 4.303 4.120 -0.003 0.000 0.278 122 V C -0.781 175.146 176.094 -0.279 0.000 1.021 122 V CA -0.827 61.356 62.300 -0.196 0.000 0.838 122 V CB 0.204 32.010 31.823 -0.028 0.000 0.999 122 V HN 0.568 nan 8.190 nan 0.000 0.447 123 Y N 5.330 125.568 120.300 -0.104 0.000 2.350 123 Y HA 0.534 5.082 4.550 -0.003 0.000 0.340 123 Y C 0.024 175.984 175.900 0.100 0.000 1.006 123 Y CA -0.622 57.478 58.100 0.001 0.000 1.166 123 Y CB 1.399 39.868 38.460 0.015 0.000 1.168 123 Y HN 0.570 nan 8.280 nan 0.000 0.502 124 L N 5.957 127.327 121.223 0.246 0.000 2.318 124 L HA 0.574 4.912 4.340 -0.003 0.000 0.277 124 L C -1.222 175.776 176.870 0.213 0.000 1.008 124 L CA -0.747 54.226 54.840 0.222 0.000 0.846 124 L CB 0.304 42.454 42.059 0.151 0.000 1.220 124 L HN 0.501 nan 8.230 nan 0.000 0.423 125 I N 4.273 124.982 120.570 0.232 0.000 2.282 125 I HA 0.305 4.473 4.170 -0.003 0.000 0.290 125 I C -0.335 175.863 176.117 0.135 0.000 1.090 125 I CA -0.351 61.051 61.300 0.170 0.000 1.231 125 I CB 0.658 38.757 38.000 0.164 0.000 1.434 125 I HN 0.554 nan 8.210 nan 0.000 0.487 126 D N 6.142 126.602 120.400 0.100 0.000 2.210 126 D HA 0.181 4.819 4.640 -0.003 0.000 0.249 126 D C 0.222 176.544 176.300 0.036 0.000 1.062 126 D CA 0.337 54.388 54.000 0.085 0.000 0.891 126 D CB 0.885 41.728 40.800 0.073 0.000 1.186 126 D HN 0.366 nan 8.370 nan 0.000 0.432 127 E N 1.323 121.547 120.200 0.041 0.000 2.358 127 E HA -0.144 4.204 4.350 -0.003 0.000 0.246 127 E C 0.690 177.133 176.600 -0.261 0.000 1.127 127 E CA 0.179 56.538 56.400 -0.069 0.000 0.726 127 E CB -1.812 27.840 29.700 -0.081 0.000 1.272 127 E HN 0.266 nan 8.360 nan 0.000 0.390 128 V N 1.256 121.146 119.914 -0.040 0.000 3.305 128 V HA -0.162 3.956 4.120 -0.003 0.000 0.269 128 V C 2.214 178.356 176.094 0.081 0.000 1.157 128 V CA 1.906 64.217 62.300 0.017 0.000 1.157 128 V CB -0.512 31.401 31.823 0.150 0.000 0.772 128 V HN 0.572 nan 8.190 nan 0.000 0.498 129 H N -2.508 116.676 119.070 0.190 0.000 2.556 129 H HA 0.078 4.632 4.556 -0.003 0.000 0.268 129 H C 1.746 177.199 175.328 0.209 0.000 0.996 129 H CA 0.351 56.559 56.048 0.267 0.000 1.157 129 H CB -0.098 29.762 29.762 0.162 0.000 1.355 129 H HN 0.350 nan 8.280 nan 0.000 0.597 130 M N 1.163 120.611 119.600 -0.253 0.000 2.514 130 M HA 0.177 4.655 4.480 -0.003 0.000 0.258 130 M C 0.819 177.030 176.300 -0.149 0.000 1.119 130 M CA -0.036 55.172 55.300 -0.154 0.000 1.111 130 M CB -0.080 32.363 32.600 -0.262 0.000 1.390 130 M HN 0.163 nan 8.290 nan 0.000 0.475 131 L N 1.619 122.648 121.223 -0.323 0.000 2.514 131 L HA -0.023 4.315 4.340 -0.003 0.000 0.280 131 L C 1.115 177.700 176.870 -0.476 0.000 1.223 131 L CA -0.299 54.222 54.840 -0.532 0.000 0.864 131 L CB 0.036 41.496 42.059 -0.998 0.000 1.118 131 L HN 0.281 nan 8.230 nan 0.000 0.494 132 S N 2.713 118.248 115.700 -0.274 0.000 2.576 132 S HA 0.027 4.495 4.470 -0.003 0.000 0.272 132 S C 1.085 175.679 174.600 -0.010 0.000 1.352 132 S CA -0.389 57.761 58.200 -0.082 0.000 1.021 132 S CB 0.933 64.115 63.200 -0.030 0.000 0.887 132 S HN 0.748 nan 8.310 nan 0.000 0.542 133 R N 0.323 120.921 120.500 0.164 0.000 2.091 133 R HA -0.184 4.154 4.340 -0.003 0.000 0.238 133 R C 2.062 178.467 176.300 0.175 0.000 1.136 133 R CA 1.795 58.048 56.100 0.254 0.000 0.959 133 R CB -0.636 29.777 30.300 0.188 0.000 0.856 133 R HN 0.877 nan 8.270 nan 0.000 0.437 134 H N -0.556 118.532 119.070 0.031 0.000 2.422 134 H HA -0.082 4.472 4.556 -0.003 0.000 0.298 134 H C 2.041 177.358 175.328 -0.018 0.000 1.098 134 H CA 1.917 57.969 56.048 0.007 0.000 1.315 134 H CB 0.221 29.976 29.762 -0.012 0.000 1.382 134 H HN 0.413 nan 8.280 nan 0.000 0.523 135 S N -0.686 115.027 115.700 0.020 0.000 2.517 135 S HA 0.010 4.479 4.470 -0.003 0.000 0.214 135 S C 1.878 176.412 174.600 -0.111 0.000 0.991 135 S CA -0.345 57.812 58.200 -0.072 0.000 0.906 135 S CB -0.495 62.626 63.200 -0.132 0.000 0.789 135 S HN 0.185 nan 8.310 nan 0.000 0.513 136 F N 3.234 123.166 119.950 -0.030 0.000 2.075 136 F HA -0.045 4.481 4.527 -0.003 0.000 0.297 136 F C 2.653 178.408 175.800 -0.075 0.000 1.113 136 F CA 1.288 59.257 58.000 -0.053 0.000 1.218 136 F CB -0.395 38.582 39.000 -0.039 0.000 0.984 136 F HN 0.259 nan 8.300 nan 0.000 0.472 137 N N 0.472 119.251 118.700 0.132 0.000 2.289 137 N HA -0.170 4.568 4.740 -0.003 0.000 0.184 137 N C 1.926 177.427 175.510 -0.016 0.000 1.016 137 N CA 1.105 54.167 53.050 0.020 0.000 0.872 137 N CB -0.399 38.063 38.487 -0.041 0.000 0.973 137 N HN 0.260 nan 8.380 nan 0.000 0.433 138 A N 1.856 124.663 122.820 -0.022 0.000 1.933 138 A HA -0.063 4.255 4.320 -0.003 0.000 0.218 138 A C 2.241 179.788 177.584 -0.062 0.000 1.175 138 A CA 0.834 52.847 52.037 -0.040 0.000 0.628 138 A CB -0.656 18.321 19.000 -0.040 0.000 0.814 138 A HN 0.191 nan 8.150 nan 0.000 0.444 139 L N -0.504 120.678 121.223 -0.068 0.000 2.456 139 L HA -0.106 4.232 4.340 -0.003 0.000 0.224 139 L C 2.343 179.135 176.870 -0.130 0.000 1.148 139 L CA 0.347 55.108 54.840 -0.133 0.000 0.825 139 L CB -0.419 41.565 42.059 -0.124 0.000 0.937 139 L HN 0.443 nan 8.230 nan 0.000 0.450 140 L N -0.171 121.011 121.223 -0.068 0.000 1.961 140 L HA -0.243 4.095 4.340 -0.003 0.000 0.210 140 L C 2.497 179.335 176.870 -0.054 0.000 1.072 140 L CA 1.655 56.463 54.840 -0.054 0.000 0.749 140 L CB -0.277 41.761 42.059 -0.035 0.000 0.889 140 L HN 0.195 nan 8.230 nan 0.000 0.432 141 K N -1.110 119.262 120.400 -0.047 0.000 2.288 141 K HA -0.070 4.248 4.320 -0.003 0.000 0.201 141 K C 1.853 178.427 176.600 -0.042 0.000 1.048 141 K CA 1.268 57.534 56.287 -0.035 0.000 0.956 141 K CB -0.029 32.456 32.500 -0.025 0.000 0.746 141 K HN 0.293 nan 8.250 nan 0.000 0.461 142 T N 1.199 115.715 114.554 -0.064 0.000 3.023 142 T HA -0.044 4.304 4.350 -0.003 0.000 0.266 142 T C 1.412 176.072 174.700 -0.066 0.000 1.093 142 T CA 0.639 62.709 62.100 -0.049 0.000 1.129 142 T CB 0.065 68.901 68.868 -0.053 0.000 0.899 142 T HN 0.055 nan 8.240 nan 0.000 0.491 143 L N 0.821 121.960 121.223 -0.140 0.000 2.567 143 L HA 0.304 4.642 4.340 -0.003 0.000 0.225 143 L C 2.068 178.966 176.870 0.047 0.000 1.119 143 L CA 0.868 55.626 54.840 -0.136 0.000 0.871 143 L CB -0.069 41.850 42.059 -0.234 0.000 1.036 143 L HN 0.205 nan 8.230 nan 0.000 0.459 144 E N -0.206 119.998 120.200 0.006 0.000 2.251 144 E HA 0.013 4.361 4.350 -0.003 0.000 0.194 144 E C -0.006 176.563 176.600 -0.051 0.000 0.964 144 E CA 0.362 56.801 56.400 0.065 0.000 0.868 144 E CB 0.342 30.062 29.700 0.034 0.000 0.828 144 E HN 0.501 nan 8.360 nan 0.000 0.481 145 E N 1.476 121.602 120.200 -0.124 0.000 3.544 145 E HA 0.227 4.575 4.350 -0.003 0.000 0.264 145 E C -2.516 174.019 176.600 -0.107 0.000 1.225 145 E CA -1.454 54.863 56.400 -0.137 0.000 1.045 145 E CB 1.557 31.229 29.700 -0.048 0.000 1.338 145 E HN 0.198 nan 8.360 nan 0.000 0.395 146 P HA 0.206 nan 4.420 nan 0.000 0.282 146 P C -2.484 174.820 177.300 0.008 0.000 1.286 146 P CA -1.017 62.073 63.100 -0.015 0.000 0.777 146 P CB -0.137 31.569 31.700 0.009 0.000 1.184 147 P HA 0.279 nan 4.420 nan 0.000 0.282 147 P C 0.467 177.871 177.300 0.173 0.000 1.259 147 P CA -0.402 62.782 63.100 0.140 0.000 0.826 147 P CB 0.802 32.656 31.700 0.256 0.000 1.064 148 E N 0.311 120.662 120.200 0.251 0.000 2.086 148 E HA -0.265 4.084 4.350 -0.003 0.000 0.200 148 E C 1.279 178.087 176.600 0.348 0.000 1.012 148 E CA 1.439 57.992 56.400 0.255 0.000 0.812 148 E CB -0.258 29.563 29.700 0.202 0.000 0.743 148 E HN 0.624 nan 8.360 nan 0.000 0.453 149 H N -1.041 118.134 119.070 0.176 0.000 2.536 149 H HA 0.220 4.774 4.556 -0.003 0.000 0.276 149 H C -0.037 175.465 175.328 0.290 0.000 1.019 149 H CA -0.008 56.175 56.048 0.225 0.000 1.159 149 H CB -0.512 29.297 29.762 0.078 0.000 1.373 149 H HN -0.124 nan 8.280 nan 0.000 0.584 150 V N 2.096 121.912 119.914 -0.164 0.000 2.513 150 V HA 0.341 4.459 4.120 -0.003 0.000 0.299 150 V C -0.149 175.884 176.094 -0.102 0.000 1.035 150 V CA -0.868 61.305 62.300 -0.211 0.000 0.889 150 V CB 2.118 33.765 31.823 -0.293 0.000 0.988 150 V HN 0.204 nan 8.190 nan 0.000 0.440 151 K N 3.531 123.816 120.400 -0.192 0.000 2.426 151 K HA 0.597 4.915 4.320 -0.003 0.000 0.251 151 K C -1.568 174.887 176.600 -0.241 0.000 0.941 151 K CA -0.467 55.750 56.287 -0.117 0.000 0.808 151 K CB 2.621 35.058 32.500 -0.104 0.000 1.265 151 K HN 0.413 nan 8.250 nan 0.000 0.432 152 F N 2.087 122.187 119.950 0.249 0.000 2.411 152 F HA 0.390 4.915 4.527 -0.003 0.000 0.352 152 F C 0.293 176.239 175.800 0.242 0.000 1.123 152 F CA -0.733 57.413 58.000 0.242 0.000 1.044 152 F CB 0.999 40.115 39.000 0.193 0.000 1.135 152 F HN 0.088 nan 8.300 nan 0.000 0.461 153 L N 5.803 127.257 121.223 0.385 0.000 2.283 153 L HA 0.390 4.728 4.340 -0.003 0.000 0.281 153 L C -0.938 176.131 176.870 0.332 0.000 1.033 153 L CA -0.706 54.344 54.840 0.350 0.000 0.848 153 L CB 0.633 42.870 42.059 0.296 0.000 1.226 153 L HN 0.393 nan 8.230 nan 0.000 0.429 154 L N 3.177 124.573 121.223 0.288 0.000 2.334 154 L HA 0.796 5.134 4.340 -0.003 0.000 0.277 154 L C 0.220 177.254 176.870 0.273 0.000 1.075 154 L CA 0.088 55.070 54.840 0.237 0.000 0.804 154 L CB 1.679 43.838 42.059 0.166 0.000 1.174 154 L HN 0.660 nan 8.230 nan 0.000 0.438 155 A N 1.404 124.371 122.820 0.245 0.000 2.574 155 A HA 0.857 5.175 4.320 -0.003 0.000 0.297 155 A C -0.729 176.984 177.584 0.215 0.000 1.062 155 A CA -0.422 51.775 52.037 0.266 0.000 0.686 155 A CB 2.027 21.193 19.000 0.276 0.000 1.285 155 A HN 0.544 nan 8.150 nan 0.000 0.403 156 T N -0.537 114.145 114.554 0.213 0.000 2.827 156 T HA 0.471 4.819 4.350 -0.003 0.000 0.328 156 T C 0.836 175.636 174.700 0.166 0.000 1.598 156 T CA 0.462 62.713 62.100 0.252 0.000 1.043 156 T CB 1.091 70.155 68.868 0.328 0.000 1.447 156 T HN 0.820 nan 8.240 nan 0.000 0.491 157 T N 1.425 116.062 114.554 0.138 0.000 2.770 157 T HA 0.090 4.439 4.350 -0.003 0.000 0.258 157 T C 0.293 174.995 174.700 0.002 0.000 1.039 157 T CA 1.046 63.166 62.100 0.033 0.000 1.143 157 T CB -0.266 68.597 68.868 -0.010 0.000 0.866 157 T HN 0.776 nan 8.240 nan 0.000 0.428 158 D N 1.287 121.641 120.400 -0.077 0.000 2.408 158 D HA 0.302 4.940 4.640 -0.003 0.000 0.243 158 D C -2.561 173.759 176.300 0.034 0.000 1.075 158 D CA -2.673 51.314 54.000 -0.021 0.000 0.832 158 D CB 1.906 42.666 40.800 -0.067 0.000 1.162 158 D HN -0.013 nan 8.370 nan 0.000 0.515 159 P HA -0.116 nan 4.420 nan 0.000 0.219 159 P C 1.198 178.503 177.300 0.008 0.000 1.150 159 P CA 1.239 64.376 63.100 0.062 0.000 0.814 159 P CB 0.309 32.059 31.700 0.082 0.000 0.787 160 Q N -0.091 119.708 119.800 -0.001 0.000 2.170 160 Q HA -0.162 4.176 4.340 -0.003 0.000 0.203 160 Q C 2.000 177.978 176.000 -0.038 0.000 0.976 160 Q CA 1.191 56.977 55.803 -0.028 0.000 0.858 160 Q CB -0.534 28.191 28.738 -0.023 0.000 0.907 160 Q HN 0.154 nan 8.270 nan 0.000 0.433 161 K N 0.559 120.954 120.400 -0.008 0.000 2.281 161 K HA -0.062 4.256 4.320 -0.003 0.000 0.203 161 K C 0.133 176.689 176.600 -0.073 0.000 1.046 161 K CA 0.612 56.911 56.287 0.018 0.000 0.938 161 K CB -0.065 32.503 32.500 0.115 0.000 0.737 161 K HN 0.141 nan 8.250 nan 0.000 0.458 162 L N 2.180 123.296 121.223 -0.178 0.000 2.331 162 L HA 0.236 4.574 4.340 -0.003 0.000 0.278 162 L C -2.060 174.559 176.870 -0.419 0.000 1.106 162 L CA -2.366 52.158 54.840 -0.527 0.000 0.824 162 L CB 0.113 41.943 42.059 -0.381 0.000 1.142 162 L HN -0.129 nan 8.230 nan 0.000 0.443 163 P HA -0.099 nan 4.420 nan 0.000 0.264 163 P C 0.978 178.146 177.300 -0.221 0.000 1.173 163 P CA 0.002 62.913 63.100 -0.314 0.000 0.761 163 P CB 0.546 32.043 31.700 -0.338 0.000 0.794 164 V N 2.233 122.061 119.914 -0.144 0.000 2.490 164 V HA -0.248 3.870 4.120 -0.003 0.000 0.250 164 V C 2.286 178.317 176.094 -0.105 0.000 1.061 164 V CA 2.541 64.773 62.300 -0.112 0.000 1.064 164 V CB -1.976 29.797 31.823 -0.083 0.000 0.670 164 V HN 0.707 nan 8.190 nan 0.000 0.461 165 T N -0.580 113.913 114.554 -0.101 0.000 2.737 165 T HA -0.193 4.155 4.350 -0.003 0.000 0.269 165 T C 1.820 176.468 174.700 -0.087 0.000 1.040 165 T CA 1.701 63.752 62.100 -0.082 0.000 1.142 165 T CB -0.364 68.464 68.868 -0.067 0.000 0.861 165 T HN 0.332 nan 8.240 nan 0.000 0.456 166 I N 1.094 121.589 120.570 -0.125 0.000 2.193 166 I HA 0.014 4.182 4.170 -0.003 0.000 0.240 166 I C 2.637 178.690 176.117 -0.107 0.000 1.084 166 I CA 0.855 62.087 61.300 -0.113 0.000 1.365 166 I CB -1.065 36.843 38.000 -0.153 0.000 1.064 166 I HN 0.264 nan 8.210 nan 0.000 0.410 167 L N 1.027 122.175 121.223 -0.124 0.000 1.978 167 L HA -0.299 4.039 4.340 -0.003 0.000 0.218 167 L C 2.812 179.615 176.870 -0.112 0.000 1.075 167 L CA 2.171 56.942 54.840 -0.115 0.000 0.767 167 L CB -0.792 41.201 42.059 -0.109 0.000 0.890 167 L HN 0.348 nan 8.230 nan 0.000 0.434 168 S N -0.296 115.349 115.700 -0.092 0.000 2.461 168 S HA -0.245 4.223 4.470 -0.003 0.000 0.246 168 S C 1.941 176.503 174.600 -0.064 0.000 1.007 168 S CA 1.358 59.513 58.200 -0.075 0.000 0.976 168 S CB -0.373 62.793 63.200 -0.057 0.000 0.763 168 S HN 0.401 nan 8.310 nan 0.000 0.508 169 R N -0.309 120.152 120.500 -0.065 0.000 2.300 169 R HA 0.258 4.596 4.340 -0.003 0.000 0.199 169 R C 0.175 176.425 176.300 -0.084 0.000 0.920 169 R CA 0.568 56.655 56.100 -0.022 0.000 1.046 169 R CB 0.216 30.520 30.300 0.007 0.000 0.984 169 R HN 0.648 nan 8.270 nan 0.000 0.493 170 C N -1.631 117.536 119.300 -0.221 0.000 3.171 170 C HA 0.509 4.967 4.460 -0.003 0.000 0.308 170 C C -0.080 174.575 174.990 -0.558 0.000 1.334 170 C CA -1.716 57.026 59.018 -0.460 0.000 1.473 170 C CB 0.798 28.360 27.740 -0.297 0.000 1.866 170 C HN 0.037 nan 8.230 nan 0.000 0.465 171 L N 2.007 122.738 121.223 -0.820 0.000 2.410 171 L HA 0.280 4.618 4.340 -0.003 0.000 0.273 171 L C 0.084 176.624 176.870 -0.550 0.000 1.152 171 L CA 0.547 54.969 54.840 -0.696 0.000 0.855 171 L CB 0.415 42.013 42.059 -0.770 0.000 1.129 171 L HN 0.791 nan 8.230 nan 0.000 0.463 172 Q N 4.213 123.706 119.800 -0.512 0.000 2.368 172 Q HA 0.439 4.777 4.340 -0.003 0.000 0.263 172 Q C -1.375 174.390 176.000 -0.391 0.000 1.009 172 Q CA -0.419 55.185 55.803 -0.331 0.000 0.818 172 Q CB 1.268 29.905 28.738 -0.168 0.000 1.239 172 Q HN 0.340 nan 8.270 nan 0.000 0.464 173 F N 1.629 121.561 119.950 -0.029 0.000 2.361 173 F HA 0.206 4.731 4.527 -0.003 0.000 0.364 173 F C 0.164 176.107 175.800 0.238 0.000 1.120 173 F CA -0.746 57.338 58.000 0.139 0.000 1.102 173 F CB 0.825 39.942 39.000 0.195 0.000 1.183 173 F HN 0.589 nan 8.300 nan 0.000 0.476 174 H N 4.397 123.668 119.070 0.335 0.000 2.640 174 H HA 0.464 5.018 4.556 -0.003 0.000 0.297 174 H C -0.634 174.913 175.328 0.364 0.000 1.073 174 H CA -0.503 55.707 56.048 0.270 0.000 1.305 174 H CB 0.587 30.430 29.762 0.135 0.000 1.404 174 H HN 0.489 nan 8.280 nan 0.000 0.459 175 L N 4.987 126.244 121.223 0.057 0.000 2.367 175 L HA 0.273 4.611 4.340 -0.003 0.000 0.275 175 L C 0.403 177.342 176.870 0.114 0.000 1.129 175 L CA -0.423 54.497 54.840 0.134 0.000 0.839 175 L CB 0.734 42.795 42.059 0.002 0.000 1.133 175 L HN 0.556 nan 8.230 nan 0.000 0.453 176 K N 1.767 122.305 120.400 0.230 0.000 2.126 176 K HA 0.580 4.898 4.320 -0.003 0.000 0.257 176 K C 0.017 176.670 176.600 0.089 0.000 1.007 176 K CA -0.647 55.735 56.287 0.159 0.000 0.928 176 K CB 1.259 33.837 32.500 0.130 0.000 1.013 176 K HN 0.725 nan 8.250 nan 0.000 0.473 177 A N 1.981 124.842 122.820 0.068 0.000 2.351 177 A HA 0.283 4.601 4.320 -0.003 0.000 0.257 177 A C -0.129 177.476 177.584 0.034 0.000 1.087 177 A CA -0.504 51.558 52.037 0.040 0.000 0.798 177 A CB -0.028 18.994 19.000 0.037 0.000 1.033 177 A HN 0.598 nan 8.150 nan 0.000 0.488 178 L N 1.595 122.829 121.223 0.019 0.000 2.349 178 L HA 0.225 4.563 4.340 -0.003 0.000 0.275 178 L C -0.109 176.769 176.870 0.013 0.000 1.115 178 L CA -0.548 54.299 54.840 0.013 0.000 0.820 178 L CB 0.381 42.441 42.059 0.000 0.000 1.135 178 L HN 0.637 nan 8.230 nan 0.000 0.445 179 D N 0.700 121.108 120.400 0.013 0.000 2.382 179 D HA 0.042 4.680 4.640 -0.003 0.000 0.240 179 D C 1.179 177.485 176.300 0.010 0.000 1.146 179 D CA -0.202 53.806 54.000 0.013 0.000 0.897 179 D CB 1.315 42.124 40.800 0.014 0.000 1.197 179 D HN 0.252 nan 8.370 nan 0.000 0.432 180 V N 1.337 121.257 119.914 0.010 0.000 2.370 180 V HA -0.280 3.838 4.120 -0.003 0.000 0.252 180 V C 2.136 178.235 176.094 0.008 0.000 1.068 180 V CA 2.003 64.307 62.300 0.006 0.000 1.061 180 V CB -0.632 31.195 31.823 0.007 0.000 0.656 180 V HN 0.577 nan 8.190 nan 0.000 0.455 181 E N 0.723 120.933 120.200 0.015 0.000 2.017 181 E HA -0.232 4.116 4.350 -0.003 0.000 0.193 181 E C 2.252 178.879 176.600 0.044 0.000 0.997 181 E CA 1.799 58.216 56.400 0.028 0.000 0.804 181 E CB -0.505 29.215 29.700 0.034 0.000 0.757 181 E HN 0.660 nan 8.360 nan 0.000 0.448 182 Q N -0.014 119.803 119.800 0.028 0.000 2.096 182 Q HA -0.198 4.140 4.340 -0.003 0.000 0.208 182 Q C 2.392 178.402 176.000 0.016 0.000 0.993 182 Q CA 2.065 57.877 55.803 0.014 0.000 0.862 182 Q CB -0.323 28.411 28.738 -0.008 0.000 0.915 182 Q HN 0.409 nan 8.270 nan 0.000 0.416 183 I N 0.107 120.679 120.570 0.004 0.000 2.099 183 I HA -0.347 3.822 4.170 -0.003 0.000 0.239 183 I C 2.620 178.730 176.117 -0.012 0.000 1.066 183 I CA 1.405 62.700 61.300 -0.009 0.000 1.324 183 I CB -0.552 37.439 38.000 -0.014 0.000 1.037 183 I HN 0.288 nan 8.210 nan 0.000 0.401 184 R N -0.019 120.475 120.500 -0.010 0.000 2.122 184 R HA -0.276 4.062 4.340 -0.003 0.000 0.236 184 R C 2.608 178.893 176.300 -0.025 0.000 1.129 184 R CA 2.076 58.154 56.100 -0.037 0.000 0.925 184 R CB -0.649 29.629 30.300 -0.038 0.000 0.850 184 R HN 0.401 nan 8.270 nan 0.000 0.431 185 H N 0.317 119.347 119.070 -0.067 0.000 2.362 185 H HA -0.221 4.333 4.556 -0.003 0.000 0.294 185 H C 2.063 177.348 175.328 -0.071 0.000 1.113 185 H CA 2.434 58.444 56.048 -0.063 0.000 1.253 185 H CB -0.025 29.706 29.762 -0.053 0.000 1.363 185 H HN 0.279 nan 8.280 nan 0.000 0.494 186 Q N 0.446 120.307 119.800 0.102 0.000 1.993 186 Q HA -0.073 4.265 4.340 -0.003 0.000 0.202 186 Q C 2.803 178.763 176.000 -0.067 0.000 0.984 186 Q CA 1.477 57.290 55.803 0.016 0.000 0.837 186 Q CB -0.580 28.139 28.738 -0.031 0.000 0.902 186 Q HN 0.460 nan 8.270 nan 0.000 0.423 187 L N 0.472 121.632 121.223 -0.105 0.000 2.137 187 L HA -0.271 4.067 4.340 -0.003 0.000 0.213 187 L C 2.402 179.133 176.870 -0.233 0.000 1.085 187 L CA 1.893 56.630 54.840 -0.171 0.000 0.760 187 L CB -0.516 41.455 42.059 -0.147 0.000 0.893 187 L HN 0.499 nan 8.230 nan 0.000 0.434 188 E N -0.779 119.293 120.200 -0.213 0.000 2.005 188 E HA -0.239 4.109 4.350 -0.003 0.000 0.191 188 E C 2.187 178.685 176.600 -0.169 0.000 0.987 188 E CA 0.772 57.007 56.400 -0.274 0.000 0.814 188 E CB -0.145 29.404 29.700 -0.251 0.000 0.772 188 E HN 0.406 nan 8.360 nan 0.000 0.453 189 H N 0.910 119.880 119.070 -0.167 0.000 2.297 189 H HA -0.227 4.327 4.556 -0.003 0.000 0.289 189 H C 2.203 177.352 175.328 -0.298 0.000 1.105 189 H CA 2.330 58.288 56.048 -0.151 0.000 1.219 189 H CB -0.271 29.446 29.762 -0.076 0.000 1.351 189 H HN 0.235 nan 8.280 nan 0.000 0.481 190 I N 0.592 120.869 120.570 -0.488 0.000 2.127 190 I HA -0.327 3.841 4.170 -0.003 0.000 0.241 190 I C 2.869 178.666 176.117 -0.533 0.000 1.075 190 I CA 1.127 61.892 61.300 -0.891 0.000 1.334 190 I CB -0.367 37.067 38.000 -0.944 0.000 1.040 190 I HN 0.258 nan 8.210 nan 0.000 0.405 191 L N 0.429 121.453 121.223 -0.332 0.000 2.131 191 L HA -0.215 4.123 4.340 -0.003 0.000 0.210 191 L C 2.322 179.113 176.870 -0.132 0.000 1.092 191 L CA 1.101 55.840 54.840 -0.168 0.000 0.759 191 L CB -0.758 41.245 42.059 -0.093 0.000 0.903 191 L HN 0.347 nan 8.230 nan 0.000 0.435 192 N N -0.026 118.567 118.700 -0.179 0.000 2.047 192 N HA -0.171 4.567 4.740 -0.003 0.000 0.193 192 N C 1.694 176.965 175.510 -0.397 0.000 1.055 192 N CA 1.083 53.995 53.050 -0.229 0.000 0.847 192 N CB -0.423 37.959 38.487 -0.175 0.000 1.038 192 N HN 0.195 nan 8.380 nan 0.000 0.427 193 E N 1.069 121.052 120.200 -0.362 0.000 2.164 193 E HA -0.210 4.138 4.350 -0.003 0.000 0.206 193 E C 1.056 177.650 176.600 -0.010 0.000 1.032 193 E CA 1.068 57.349 56.400 -0.198 0.000 0.832 193 E CB -0.182 29.457 29.700 -0.101 0.000 0.742 193 E HN 0.465 nan 8.360 nan 0.000 0.460 194 E N 0.214 120.423 120.200 0.014 0.000 2.494 194 E HA -0.043 4.305 4.350 -0.003 0.000 0.193 194 E C -0.524 176.170 176.600 0.158 0.000 1.074 194 E CA -0.100 56.394 56.400 0.156 0.000 0.867 194 E CB -0.169 29.617 29.700 0.143 0.000 0.924 194 E HN 0.357 nan 8.360 nan 0.000 0.502 195 H N 0.089 119.179 119.070 0.033 0.000 2.581 195 H HA -0.192 4.362 4.556 -0.003 0.000 0.308 195 H C -0.159 175.181 175.328 0.019 0.000 0.924 195 H CA 0.687 56.747 56.048 0.020 0.000 1.005 195 H CB -1.391 28.381 29.762 0.017 0.000 1.612 195 H HN 0.204 nan 8.280 nan 0.000 0.332 196 I N 1.097 121.706 120.570 0.064 0.000 2.529 196 I HA 0.267 4.435 4.170 -0.003 0.000 0.284 196 I C 0.639 176.782 176.117 0.042 0.000 1.088 196 I CA -0.609 60.724 61.300 0.056 0.000 1.062 196 I CB 1.798 39.828 38.000 0.049 0.000 1.218 196 I HN 0.490 nan 8.210 nan 0.000 0.442 197 A N 5.767 128.590 122.820 0.005 0.000 2.565 197 A HA 0.249 4.567 4.320 -0.003 0.000 0.237 197 A C -0.306 177.266 177.584 -0.020 0.000 1.053 197 A CA 0.790 52.789 52.037 -0.063 0.000 0.755 197 A CB -0.425 18.549 19.000 -0.044 0.000 0.980 197 A HN 0.881 nan 8.150 nan 0.000 0.506 198 H N -0.662 118.389 119.070 -0.033 0.000 2.930 198 H HA 0.676 5.230 4.556 -0.003 0.000 0.371 198 H C -1.105 174.203 175.328 -0.034 0.000 1.169 198 H CA -0.920 55.106 56.048 -0.037 0.000 1.157 198 H CB 0.681 30.413 29.762 -0.050 0.000 1.789 198 H HN 0.563 nan 8.280 nan 0.000 0.547 199 E N 3.885 124.163 120.200 0.130 0.000 2.229 199 E HA 0.113 4.461 4.350 -0.003 0.000 0.283 199 E C -1.555 175.137 176.600 0.154 0.000 1.030 199 E CA -2.077 54.377 56.400 0.090 0.000 0.836 199 E CB 1.316 31.038 29.700 0.037 0.000 1.068 199 E HN 0.572 nan 8.360 nan 0.000 0.401 200 P HA -0.274 nan 4.420 nan 0.000 0.216 200 P C 1.251 178.567 177.300 0.027 0.000 1.154 200 P CA 1.406 64.563 63.100 0.094 0.000 0.865 200 P CB 0.278 32.010 31.700 0.052 0.000 0.789 201 R N 0.173 120.685 120.500 0.020 0.000 2.092 201 R HA -0.032 4.306 4.340 -0.003 0.000 0.231 201 R C 2.409 178.707 176.300 -0.004 0.000 1.119 201 R CA 1.442 57.543 56.100 0.003 0.000 0.970 201 R CB -0.890 29.412 30.300 0.003 0.000 0.864 201 R HN 0.056 nan 8.270 nan 0.000 0.440 202 A N 0.850 123.673 122.820 0.004 0.000 2.032 202 A HA -0.142 4.176 4.320 -0.003 0.000 0.221 202 A C 2.052 179.619 177.584 -0.027 0.000 1.165 202 A CA 1.243 53.277 52.037 -0.005 0.000 0.645 202 A CB -0.435 18.571 19.000 0.010 0.000 0.807 202 A HN 0.358 nan 8.150 nan 0.000 0.453 203 L N -1.843 119.351 121.223 -0.048 0.000 2.095 203 L HA -0.150 4.188 4.340 -0.003 0.000 0.204 203 L C 2.780 179.614 176.870 -0.059 0.000 1.080 203 L CA 1.226 56.014 54.840 -0.086 0.000 0.759 203 L CB -0.703 41.260 42.059 -0.161 0.000 0.914 203 L HN 0.415 nan 8.230 nan 0.000 0.439 204 Q N 0.175 119.949 119.800 -0.042 0.000 2.135 204 Q HA -0.212 4.126 4.340 -0.003 0.000 0.204 204 Q C 2.381 178.369 176.000 -0.020 0.000 0.981 204 Q CA 1.476 57.263 55.803 -0.027 0.000 0.856 204 Q CB -0.081 28.646 28.738 -0.018 0.000 0.902 204 Q HN 0.472 nan 8.270 nan 0.000 0.425 205 L N -0.058 121.153 121.223 -0.019 0.000 2.093 205 L HA -0.197 4.141 4.340 -0.003 0.000 0.208 205 L C 2.142 179.002 176.870 -0.016 0.000 1.085 205 L CA 0.892 55.724 54.840 -0.013 0.000 0.755 205 L CB -0.201 41.851 42.059 -0.012 0.000 0.904 205 L HN 0.327 nan 8.230 nan 0.000 0.435 206 L N -0.829 120.379 121.223 -0.025 0.000 2.023 206 L HA -0.132 4.206 4.340 -0.003 0.000 0.205 206 L C 2.814 179.668 176.870 -0.026 0.000 1.073 206 L CA 1.090 55.913 54.840 -0.027 0.000 0.745 206 L CB -0.650 41.386 42.059 -0.039 0.000 0.900 206 L HN 0.193 nan 8.230 nan 0.000 0.435 207 A N -0.166 122.635 122.820 -0.031 0.000 2.032 207 A HA -0.219 4.099 4.320 -0.003 0.000 0.221 207 A C 2.369 179.945 177.584 -0.013 0.000 1.165 207 A CA 1.530 53.553 52.037 -0.024 0.000 0.645 207 A CB -0.471 18.514 19.000 -0.025 0.000 0.807 207 A HN 0.333 nan 8.150 nan 0.000 0.453 208 R N -0.993 119.501 120.500 -0.010 0.000 2.055 208 R HA 0.036 4.374 4.340 -0.003 0.000 0.226 208 R C 2.372 178.671 176.300 -0.002 0.000 1.135 208 R CA 1.079 57.178 56.100 -0.002 0.000 0.959 208 R CB -0.511 29.791 30.300 0.002 0.000 0.854 208 R HN 0.469 nan 8.270 nan 0.000 0.431 209 A N 1.124 123.941 122.820 -0.005 0.000 2.225 209 A HA -0.010 4.308 4.320 -0.003 0.000 0.215 209 A C 2.075 179.656 177.584 -0.004 0.000 1.164 209 A CA 1.291 53.325 52.037 -0.004 0.000 0.710 209 A CB -0.344 18.652 19.000 -0.006 0.000 0.780 209 A HN 0.387 nan 8.150 nan 0.000 0.473 210 A N -0.432 122.384 122.820 -0.006 0.000 2.119 210 A HA 0.095 4.413 4.320 -0.003 0.000 0.217 210 A C 0.836 178.420 177.584 -0.001 0.000 1.153 210 A CA 0.818 52.852 52.037 -0.005 0.000 0.692 210 A CB -0.417 18.577 19.000 -0.009 0.000 0.799 210 A HN 0.624 nan 8.150 nan 0.000 0.458 211 E N -2.312 117.888 120.200 0.001 0.000 2.269 211 E HA -0.259 4.089 4.350 -0.003 0.000 0.223 211 E C 0.891 177.496 176.600 0.007 0.000 1.244 211 E CA 0.331 56.734 56.400 0.005 0.000 0.713 211 E CB -2.029 27.673 29.700 0.004 0.000 1.178 211 E HN 1.412 nan 8.360 nan 0.000 0.370 212 G N -0.385 108.419 108.800 0.006 0.000 2.258 212 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.233 212 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.233 212 G C 0.268 175.171 174.900 0.006 0.000 1.006 212 G CA 0.218 45.324 45.100 0.009 0.000 0.620 212 G HN 0.751 nan 8.290 nan 0.000 0.511 213 S N 0.618 116.319 115.700 0.003 0.000 2.438 213 S HA 0.570 5.038 4.470 -0.003 0.000 0.293 213 S C 1.356 175.953 174.600 -0.005 0.000 1.141 213 S CA -0.227 57.973 58.200 -0.000 0.000 1.080 213 S CB 1.088 64.289 63.200 0.002 0.000 0.978 213 S HN 0.677 nan 8.310 nan 0.000 0.479 214 L N 5.819 127.037 121.223 -0.009 0.000 2.275 214 L HA 0.111 4.449 4.340 -0.003 0.000 0.215 214 L C 2.350 179.216 176.870 -0.006 0.000 1.119 214 L CA 1.556 56.389 54.840 -0.012 0.000 0.790 214 L CB -0.955 41.094 42.059 -0.016 0.000 0.919 214 L HN 0.819 nan 8.230 nan 0.000 0.443 215 R N -0.671 119.828 120.500 -0.001 0.000 2.055 215 R HA -0.136 4.202 4.340 -0.003 0.000 0.228 215 R C 1.837 178.139 176.300 0.003 0.000 1.143 215 R CA 1.499 57.602 56.100 0.006 0.000 0.945 215 R CB -0.181 30.125 30.300 0.010 0.000 0.841 215 R HN 0.250 nan 8.270 nan 0.000 0.429 216 D N 0.553 120.954 120.400 0.002 0.000 2.170 216 D HA -0.233 4.405 4.640 -0.003 0.000 0.193 216 D C 1.654 177.952 176.300 -0.005 0.000 1.004 216 D CA 1.772 55.772 54.000 0.001 0.000 0.860 216 D CB -0.312 40.488 40.800 0.001 0.000 0.931 216 D HN 0.428 nan 8.370 nan 0.000 0.448 217 A N 0.322 123.136 122.820 -0.010 0.000 1.845 217 A HA -0.141 4.177 4.320 -0.003 0.000 0.215 217 A C 2.439 180.009 177.584 -0.024 0.000 1.195 217 A CA 1.154 53.178 52.037 -0.020 0.000 0.616 217 A CB -0.911 18.072 19.000 -0.027 0.000 0.832 217 A HN 0.245 nan 8.150 nan 0.000 0.443 218 L N -0.582 120.630 121.223 -0.019 0.000 2.083 218 L HA -0.160 4.178 4.340 -0.003 0.000 0.209 218 L C 2.840 179.709 176.870 -0.001 0.000 1.083 218 L CA 1.434 56.264 54.840 -0.015 0.000 0.752 218 L CB -0.334 41.726 42.059 0.002 0.000 0.899 218 L HN 0.336 nan 8.230 nan 0.000 0.433 219 S N -0.379 115.324 115.700 0.004 0.000 2.399 219 S HA -0.083 4.385 4.470 -0.003 0.000 0.231 219 S C 1.908 176.510 174.600 0.002 0.000 1.022 219 S CA 0.974 59.179 58.200 0.008 0.000 0.983 219 S CB -0.090 63.115 63.200 0.010 0.000 0.803 219 S HN 0.283 nan 8.310 nan 0.000 0.480 220 L N 0.662 121.882 121.223 -0.005 0.000 2.095 220 L HA -0.067 4.271 4.340 -0.003 0.000 0.204 220 L C 2.563 179.426 176.870 -0.012 0.000 1.080 220 L CA 1.144 55.979 54.840 -0.008 0.000 0.759 220 L CB -0.952 41.100 42.059 -0.012 0.000 0.914 220 L HN 0.314 nan 8.230 nan 0.000 0.439 221 T N -1.322 113.220 114.554 -0.020 0.000 2.720 221 T HA -0.218 4.130 4.350 -0.003 0.000 0.268 221 T C 1.451 176.145 174.700 -0.010 0.000 1.037 221 T CA 1.435 63.521 62.100 -0.024 0.000 1.144 221 T CB -0.323 68.519 68.868 -0.043 0.000 0.864 221 T HN 0.242 nan 8.240 nan 0.000 0.444 222 D N 1.599 121.998 120.400 -0.001 0.000 2.158 222 D HA -0.128 4.510 4.640 -0.003 0.000 0.197 222 D C 2.316 178.622 176.300 0.009 0.000 0.995 222 D CA 1.299 55.305 54.000 0.011 0.000 0.846 222 D CB -0.226 40.586 40.800 0.020 0.000 0.941 222 D HN 0.742 nan 8.370 nan 0.000 0.456 223 Q N -0.823 118.979 119.800 0.004 0.000 2.356 223 Q HA 0.321 4.659 4.340 -0.003 0.000 0.205 223 Q C 1.813 177.814 176.000 0.001 0.000 0.901 223 Q CA 0.554 56.359 55.803 0.004 0.000 0.938 223 Q CB 0.325 29.065 28.738 0.003 0.000 1.081 223 Q HN 0.066 nan 8.270 nan 0.000 0.517 224 A N 1.866 124.685 122.820 -0.002 0.000 1.855 224 A HA -0.095 4.224 4.320 -0.003 0.000 0.215 224 A C 2.074 179.660 177.584 0.002 0.000 1.191 224 A CA 1.229 53.265 52.037 -0.003 0.000 0.613 224 A CB -0.686 18.310 19.000 -0.007 0.000 0.829 224 A HN 0.391 nan 8.150 nan 0.000 0.442 225 I N -0.022 120.551 120.570 0.005 0.000 2.248 225 I HA -0.340 3.828 4.170 -0.003 0.000 0.248 225 I C 2.831 178.954 176.117 0.011 0.000 1.107 225 I CA 1.221 62.527 61.300 0.011 0.000 1.373 225 I CB -0.181 37.829 38.000 0.015 0.000 1.055 225 I HN 0.380 nan 8.210 nan 0.000 0.418 226 A N -1.044 121.781 122.820 0.009 0.000 1.970 226 A HA -0.132 4.186 4.320 -0.003 0.000 0.216 226 A C 2.447 180.033 177.584 0.005 0.000 1.170 226 A CA 1.682 53.724 52.037 0.008 0.000 0.645 226 A CB -0.481 18.524 19.000 0.008 0.000 0.816 226 A HN 0.326 nan 8.150 nan 0.000 0.447 227 S N -0.848 114.853 115.700 0.003 0.000 2.387 227 S HA 0.030 4.498 4.470 -0.003 0.000 0.226 227 S C 1.794 176.394 174.600 -0.000 0.000 1.026 227 S CA 1.194 59.393 58.200 -0.000 0.000 0.972 227 S CB -0.249 62.949 63.200 -0.003 0.000 0.814 227 S HN 0.683 nan 8.310 nan 0.000 0.477 228 G N -0.319 108.482 108.800 0.001 0.000 3.042 228 G HA2 0.122 4.080 3.960 -0.003 0.000 0.212 228 G HA3 0.122 4.080 3.960 -0.003 0.000 0.212 228 G C -0.239 174.663 174.900 0.003 0.000 1.166 228 G CA 0.216 45.317 45.100 0.002 0.000 0.767 228 G HN 0.431 nan 8.290 nan 0.000 0.546 229 D N -0.777 119.626 120.400 0.005 0.000 3.061 229 D HA -0.105 4.533 4.640 -0.003 0.000 0.252 229 D C 1.428 177.733 176.300 0.009 0.000 1.080 229 D CA 1.417 55.421 54.000 0.006 0.000 0.871 229 D CB -1.361 39.441 40.800 0.003 0.000 1.018 229 D HN 1.023 nan 8.370 nan 0.000 0.425 230 G N 1.175 109.982 108.800 0.013 0.000 2.184 230 G HA2 -0.332 3.626 3.960 -0.003 0.000 0.264 230 G HA3 -0.332 3.626 3.960 -0.003 0.000 0.264 230 G C 0.251 175.162 174.900 0.019 0.000 0.975 230 G CA 0.845 45.956 45.100 0.018 0.000 0.642 230 G HN 0.568 nan 8.290 nan 0.000 0.536 231 Q N -0.623 119.186 119.800 0.015 0.000 2.356 231 Q HA 0.561 4.899 4.340 -0.003 0.000 0.270 231 Q C -0.661 175.351 176.000 0.021 0.000 1.058 231 Q CA -0.796 55.017 55.803 0.016 0.000 0.802 231 Q CB 2.910 31.652 28.738 0.007 0.000 1.303 231 Q HN 0.114 nan 8.270 nan 0.000 0.444 232 V N 3.057 122.993 119.914 0.037 0.000 2.258 232 V HA 0.165 4.283 4.120 -0.003 0.000 0.258 232 V C -0.103 176.014 176.094 0.039 0.000 1.121 232 V CA -0.120 62.202 62.300 0.036 0.000 0.942 232 V CB 0.172 32.021 31.823 0.042 0.000 1.170 232 V HN 0.759 nan 8.190 nan 0.000 0.487 233 S N 2.154 117.866 115.700 0.019 0.000 2.638 233 S HA 0.389 4.857 4.470 -0.003 0.000 0.298 233 S C 1.073 175.678 174.600 0.008 0.000 1.111 233 S CA -0.430 57.778 58.200 0.014 0.000 1.027 233 S CB 1.726 64.929 63.200 0.005 0.000 1.064 233 S HN 0.458 nan 8.310 nan 0.000 0.525 234 T N 1.752 116.310 114.554 0.006 0.000 2.746 234 T HA -0.114 4.234 4.350 -0.003 0.000 0.267 234 T C 1.874 176.572 174.700 -0.005 0.000 1.039 234 T CA 1.372 63.472 62.100 0.001 0.000 1.142 234 T CB -0.340 68.528 68.868 0.001 0.000 0.866 234 T HN 0.558 nan 8.240 nan 0.000 0.444 235 Q N 1.020 120.816 119.800 -0.006 0.000 2.061 235 Q HA -0.068 4.270 4.340 -0.003 0.000 0.204 235 Q C 2.745 178.738 176.000 -0.011 0.000 0.984 235 Q CA 1.765 57.562 55.803 -0.010 0.000 0.846 235 Q CB -0.901 27.831 28.738 -0.011 0.000 0.902 235 Q HN 0.590 nan 8.270 nan 0.000 0.421 236 A N 0.452 123.268 122.820 -0.007 0.000 1.865 236 A HA -0.148 4.170 4.320 -0.003 0.000 0.217 236 A C 2.495 180.074 177.584 -0.009 0.000 1.191 236 A CA 1.894 53.926 52.037 -0.007 0.000 0.623 236 A CB -0.809 18.190 19.000 -0.003 0.000 0.826 236 A HN 0.211 nan 8.150 nan 0.000 0.444 237 V N 0.952 120.862 119.914 -0.007 0.000 2.270 237 V HA -0.247 3.871 4.120 -0.003 0.000 0.245 237 V C 2.998 179.085 176.094 -0.012 0.000 1.043 237 V CA 2.470 64.764 62.300 -0.009 0.000 1.014 237 V CB -1.144 30.673 31.823 -0.009 0.000 0.645 237 V HN 0.780 nan 8.190 nan 0.000 0.447 238 S N 1.198 116.890 115.700 -0.013 0.000 2.382 238 S HA -0.183 4.285 4.470 -0.003 0.000 0.228 238 S C 2.129 176.716 174.600 -0.020 0.000 1.027 238 S CA 1.303 59.493 58.200 -0.016 0.000 0.991 238 S CB -0.800 62.391 63.200 -0.016 0.000 0.823 238 S HN 0.618 nan 8.310 nan 0.000 0.469 239 A N 3.600 126.408 122.820 -0.021 0.000 1.859 239 A HA -0.238 4.080 4.320 -0.003 0.000 0.218 239 A C 2.371 179.941 177.584 -0.023 0.000 1.242 239 A CA 2.508 54.530 52.037 -0.024 0.000 0.661 239 A CB -1.268 17.720 19.000 -0.021 0.000 0.842 239 A HN 0.729 nan 8.150 nan 0.000 0.455 240 M N -1.014 118.576 119.600 -0.017 0.000 2.255 240 M HA -0.107 4.371 4.480 -0.003 0.000 0.259 240 M C 1.120 177.411 176.300 -0.015 0.000 1.071 240 M CA 1.878 57.169 55.300 -0.015 0.000 1.074 240 M CB -0.271 32.322 32.600 -0.011 0.000 1.384 240 M HN 0.365 nan 8.290 nan 0.000 0.415 241 L N -0.345 120.869 121.223 -0.016 0.000 2.640 241 L HA 0.288 4.626 4.340 -0.003 0.000 0.230 241 L C 1.551 178.411 176.870 -0.017 0.000 1.123 241 L CA 0.411 55.242 54.840 -0.014 0.000 0.900 241 L CB -0.068 41.984 42.059 -0.012 0.000 1.146 241 L HN 0.734 nan 8.230 nan 0.000 0.484 242 G N -0.019 108.767 108.800 -0.023 0.000 2.328 242 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.256 242 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.256 242 G C 0.559 175.441 174.900 -0.031 0.000 1.014 242 G CA 0.610 45.692 45.100 -0.030 0.000 0.620 242 G HN 0.319 nan 8.290 nan 0.000 0.530 243 T N 2.671 117.211 114.554 -0.022 0.000 2.934 243 T HA 0.438 4.787 4.350 -0.003 0.000 0.306 243 T C 0.545 175.229 174.700 -0.028 0.000 1.042 243 T CA 0.487 62.575 62.100 -0.020 0.000 1.145 243 T CB 0.944 69.804 68.868 -0.013 0.000 0.982 243 T HN 0.514 nan 8.240 nan 0.000 0.544 244 L N 2.162 123.367 121.223 -0.030 0.000 2.375 244 L HA 0.558 4.896 4.340 -0.003 0.000 0.268 244 L C 0.378 177.234 176.870 -0.022 0.000 1.058 244 L CA -0.930 53.889 54.840 -0.034 0.000 0.803 244 L CB 0.201 42.234 42.059 -0.045 0.000 1.212 244 L HN 0.358 nan 8.230 nan 0.000 0.451 245 D N 0.198 120.586 120.400 -0.021 0.000 2.348 245 D HA 0.076 4.714 4.640 -0.003 0.000 0.253 245 D C 0.541 176.835 176.300 -0.010 0.000 1.161 245 D CA 0.108 54.100 54.000 -0.014 0.000 0.876 245 D CB 1.061 41.853 40.800 -0.012 0.000 1.160 245 D HN 0.534 nan 8.370 nan 0.000 0.459 246 D N 1.435 121.832 120.400 -0.006 0.000 2.351 246 D HA -0.154 4.484 4.640 -0.003 0.000 0.216 246 D C 1.323 177.622 176.300 -0.000 0.000 0.968 246 D CA 0.668 54.667 54.000 -0.001 0.000 0.899 246 D CB 0.185 40.986 40.800 0.002 0.000 0.907 246 D HN 0.549 nan 8.370 nan 0.000 0.514 247 D N -0.065 120.333 120.400 -0.003 0.000 2.084 247 D HA -0.212 4.426 4.640 -0.003 0.000 0.194 247 D C 1.938 178.237 176.300 -0.002 0.000 0.990 247 D CA 1.421 55.419 54.000 -0.002 0.000 0.826 247 D CB -0.115 40.683 40.800 -0.003 0.000 0.971 247 D HN 0.146 nan 8.370 nan 0.000 0.453 248 Q N -0.223 119.574 119.800 -0.005 0.000 2.297 248 Q HA -0.167 4.171 4.340 -0.003 0.000 0.208 248 Q C 1.770 177.772 176.000 0.002 0.000 0.981 248 Q CA 1.724 57.525 55.803 -0.003 0.000 0.876 248 Q CB -0.229 28.502 28.738 -0.011 0.000 0.921 248 Q HN 0.351 nan 8.270 nan 0.000 0.446 249 A N 0.607 123.429 122.820 0.003 0.000 1.840 249 A HA -0.097 4.221 4.320 -0.003 0.000 0.214 249 A C 1.966 179.557 177.584 0.013 0.000 1.198 249 A CA 1.126 53.170 52.037 0.011 0.000 0.608 249 A CB -0.911 18.096 19.000 0.013 0.000 0.839 249 A HN 0.475 nan 8.150 nan 0.000 0.443 250 L N 0.437 121.665 121.223 0.009 0.000 1.978 250 L HA -0.187 4.151 4.340 -0.003 0.000 0.218 250 L C 2.481 179.350 176.870 -0.003 0.000 1.075 250 L CA 2.687 57.530 54.840 0.005 0.000 0.767 250 L CB -1.170 40.892 42.059 0.004 0.000 0.890 250 L HN 0.337 nan 8.230 nan 0.000 0.434 251 S N -0.684 115.015 115.700 -0.002 0.000 2.389 251 S HA -0.226 4.242 4.470 -0.003 0.000 0.231 251 S C 1.815 176.410 174.600 -0.007 0.000 1.052 251 S CA 1.744 59.942 58.200 -0.004 0.000 1.053 251 S CB -0.579 62.620 63.200 -0.001 0.000 0.886 251 S HN 0.417 nan 8.310 nan 0.000 0.456 252 L N 1.562 122.784 121.223 -0.001 0.000 2.027 252 L HA -0.010 4.329 4.340 -0.003 0.000 0.206 252 L C 2.242 179.096 176.870 -0.027 0.000 1.074 252 L CA 1.422 56.261 54.840 -0.002 0.000 0.745 252 L CB -1.260 40.813 42.059 0.022 0.000 0.898 252 L HN 0.152 nan 8.230 nan 0.000 0.433 253 V N 0.165 120.062 119.914 -0.029 0.000 2.215 253 V HA -0.391 3.727 4.120 -0.003 0.000 0.249 253 V C 2.430 178.466 176.094 -0.098 0.000 1.054 253 V CA 2.198 64.457 62.300 -0.068 0.000 1.012 253 V CB -0.932 30.864 31.823 -0.043 0.000 0.639 253 V HN 0.483 nan 8.190 nan 0.000 0.448 254 E N 0.518 120.682 120.200 -0.061 0.000 2.132 254 E HA -0.379 3.970 4.350 -0.003 0.000 0.218 254 E C 2.228 178.792 176.600 -0.060 0.000 1.058 254 E CA 1.838 58.207 56.400 -0.051 0.000 0.882 254 E CB -0.535 29.149 29.700 -0.026 0.000 0.774 254 E HN 0.631 nan 8.360 nan 0.000 0.467 255 A N 1.010 123.800 122.820 -0.050 0.000 2.024 255 A HA -0.184 4.134 4.320 -0.003 0.000 0.220 255 A C 2.067 179.603 177.584 -0.080 0.000 1.164 255 A CA 1.669 53.676 52.037 -0.049 0.000 0.643 255 A CB -0.488 18.493 19.000 -0.032 0.000 0.806 255 A HN 0.343 nan 8.150 nan 0.000 0.451 256 M N 0.231 119.765 119.600 -0.110 0.000 2.248 256 M HA -0.063 4.415 4.480 -0.003 0.000 0.265 256 M C 2.090 178.269 176.300 -0.201 0.000 1.079 256 M CA 1.982 57.190 55.300 -0.154 0.000 1.150 256 M CB -0.229 32.276 32.600 -0.158 0.000 1.366 256 M HN 0.372 nan 8.290 nan 0.000 0.433 257 V N -0.788 118.992 119.914 -0.223 0.000 2.407 257 V HA -0.172 3.946 4.120 -0.003 0.000 0.248 257 V C 1.296 177.457 176.094 0.111 0.000 1.055 257 V CA 1.963 64.229 62.300 -0.056 0.000 1.049 257 V CB -1.270 30.499 31.823 -0.090 0.000 0.662 257 V HN 0.558 nan 8.190 nan 0.000 0.455 258 E N 0.889 121.088 120.200 -0.002 0.000 2.485 258 E HA 0.369 4.717 4.350 -0.003 0.000 0.194 258 E C 1.608 178.180 176.600 -0.047 0.000 1.098 258 E CA 0.487 56.894 56.400 0.012 0.000 0.878 258 E CB -0.253 29.444 29.700 -0.005 0.000 0.939 258 E HN 0.855 nan 8.360 nan 0.000 0.503 259 A N 2.078 124.777 122.820 -0.202 0.000 3.367 259 A HA -0.314 4.004 4.320 -0.003 0.000 0.270 259 A C 0.721 178.201 177.584 -0.173 0.000 1.135 259 A CA 1.450 53.266 52.037 -0.369 0.000 0.990 259 A CB -2.148 16.670 19.000 -0.304 0.000 1.026 259 A HN 0.547 nan 8.150 nan 0.000 0.763 260 N N 0.648 119.287 118.700 -0.100 0.000 2.405 260 N HA 0.433 5.171 4.740 -0.003 0.000 0.260 260 N C 1.073 176.549 175.510 -0.057 0.000 1.152 260 N CA 0.895 53.910 53.050 -0.060 0.000 0.948 260 N CB 0.635 39.101 38.487 -0.034 0.000 1.111 260 N HN 0.413 nan 8.380 nan 0.000 0.485 261 G N 2.946 111.717 108.800 -0.048 0.000 2.434 261 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.214 261 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.214 261 G C 0.983 175.869 174.900 -0.023 0.000 1.202 261 G CA 0.374 45.452 45.100 -0.037 0.000 0.788 261 G HN 0.713 nan 8.290 nan 0.000 0.539 262 E N -0.107 120.083 120.200 -0.017 0.000 2.149 262 E HA -0.318 4.031 4.350 -0.003 0.000 0.215 262 E C 2.517 179.114 176.600 -0.006 0.000 1.055 262 E CA 1.571 57.965 56.400 -0.009 0.000 0.870 262 E CB -0.181 29.514 29.700 -0.008 0.000 0.764 262 E HN 0.354 nan 8.360 nan 0.000 0.463 263 R N 0.443 120.937 120.500 -0.010 0.000 2.081 263 R HA -0.145 4.193 4.340 -0.003 0.000 0.235 263 R C 2.382 178.680 176.300 -0.002 0.000 1.131 263 R CA 1.278 57.374 56.100 -0.006 0.000 0.960 263 R CB -0.149 30.145 30.300 -0.011 0.000 0.856 263 R HN 0.025 nan 8.270 nan 0.000 0.436 264 V N 0.839 120.746 119.914 -0.010 0.000 2.231 264 V HA -0.341 3.777 4.120 -0.003 0.000 0.248 264 V C 2.458 178.559 176.094 0.011 0.000 1.054 264 V CA 1.839 64.136 62.300 -0.004 0.000 1.015 264 V CB -0.439 31.375 31.823 -0.016 0.000 0.638 264 V HN 0.359 nan 8.190 nan 0.000 0.444 265 M N -0.262 119.341 119.600 0.005 0.000 2.117 265 M HA -0.106 4.372 4.480 -0.003 0.000 0.262 265 M C 2.336 178.651 176.300 0.025 0.000 1.065 265 M CA 2.145 57.452 55.300 0.011 0.000 1.114 265 M CB -1.705 30.896 32.600 0.000 0.000 1.361 265 M HN 0.419 nan 8.290 nan 0.000 0.408 266 A N 0.053 122.884 122.820 0.020 0.000 1.851 266 A HA -0.167 4.151 4.320 -0.003 0.000 0.216 266 A C 2.304 179.910 177.584 0.038 0.000 1.195 266 A CA 1.502 53.554 52.037 0.025 0.000 0.622 266 A CB -1.185 17.825 19.000 0.016 0.000 0.831 266 A HN 0.461 nan 8.150 nan 0.000 0.444 267 L N -0.536 120.707 121.223 0.033 0.000 2.270 267 L HA -0.231 4.107 4.340 -0.003 0.000 0.217 267 L C 2.333 179.249 176.870 0.076 0.000 1.107 267 L CA 1.046 55.911 54.840 0.041 0.000 0.772 267 L CB -0.281 41.795 42.059 0.029 0.000 0.902 267 L HN 0.473 nan 8.230 nan 0.000 0.439 268 I N -1.268 119.363 120.570 0.101 0.000 2.339 268 I HA -0.220 3.948 4.170 -0.003 0.000 0.245 268 I C 2.211 178.457 176.117 0.216 0.000 1.096 268 I CA 0.592 62.005 61.300 0.189 0.000 1.408 268 I CB -0.332 37.755 38.000 0.145 0.000 1.092 268 I HN 0.288 nan 8.210 nan 0.000 0.423 269 N N 1.389 120.167 118.700 0.131 0.000 2.060 269 N HA -0.303 4.435 4.740 -0.003 0.000 0.195 269 N C 1.750 177.320 175.510 0.101 0.000 1.028 269 N CA 1.975 55.093 53.050 0.114 0.000 0.861 269 N CB -0.194 38.332 38.487 0.065 0.000 1.029 269 N HN 0.403 nan 8.380 nan 0.000 0.428 270 E N -0.274 119.968 120.200 0.071 0.000 2.110 270 E HA -0.115 4.233 4.350 -0.003 0.000 0.193 270 E C 1.719 178.334 176.600 0.026 0.000 0.988 270 E CA 1.114 57.538 56.400 0.041 0.000 0.804 270 E CB -0.212 29.504 29.700 0.025 0.000 0.745 270 E HN 0.383 nan 8.360 nan 0.000 0.458 271 A N 0.854 123.700 122.820 0.042 0.000 2.024 271 A HA -0.085 4.233 4.320 -0.003 0.000 0.220 271 A C 2.265 179.778 177.584 -0.119 0.000 1.164 271 A CA 1.743 53.752 52.037 -0.047 0.000 0.643 271 A CB -0.518 18.470 19.000 -0.022 0.000 0.806 271 A HN 0.439 nan 8.150 nan 0.000 0.451 272 A N -0.892 121.958 122.820 0.050 0.000 1.997 272 A HA 0.481 4.799 4.320 -0.003 0.000 0.212 272 A C 2.309 179.923 177.584 0.051 0.000 1.178 272 A CA 1.164 53.271 52.037 0.116 0.000 0.698 272 A CB -0.620 18.594 19.000 0.356 0.000 0.842 272 A HN 0.914 nan 8.150 nan 0.000 0.458 273 A N 0.324 123.165 122.820 0.034 0.000 2.067 273 A HA -0.083 4.235 4.320 -0.003 0.000 0.219 273 A C 2.068 179.640 177.584 -0.020 0.000 1.158 273 A CA 1.212 53.257 52.037 0.013 0.000 0.661 273 A CB -0.348 18.661 19.000 0.015 0.000 0.801 273 A HN 0.525 nan 8.150 nan 0.000 0.452 274 R N -1.265 119.204 120.500 -0.051 0.000 2.276 274 R HA 0.206 4.544 4.340 -0.003 0.000 0.196 274 R C 1.263 177.497 176.300 -0.110 0.000 0.961 274 R CA 0.469 56.525 56.100 -0.074 0.000 1.024 274 R CB -0.126 30.123 30.300 -0.085 0.000 0.940 274 R HN 0.589 nan 8.270 nan 0.000 0.480 275 G N 2.711 111.427 108.800 -0.139 0.000 2.225 275 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.267 275 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.267 275 G C 0.318 175.045 174.900 -0.288 0.000 1.024 275 G CA 0.492 45.484 45.100 -0.180 0.000 0.784 275 G HN 0.533 nan 8.290 nan 0.000 0.507 276 I N -1.883 118.462 120.570 -0.375 0.000 2.815 276 I HA 0.467 4.635 4.170 -0.003 0.000 0.291 276 I C 0.511 176.274 176.117 -0.589 0.000 1.209 276 I CA -0.387 60.675 61.300 -0.396 0.000 1.431 276 I CB 0.532 38.317 38.000 -0.357 0.000 1.351 276 I HN 0.269 nan 8.210 nan 0.000 0.585 277 E N 4.889 124.864 120.200 -0.375 0.000 2.344 277 E HA 0.023 4.372 4.350 -0.003 0.000 0.270 277 E C -0.323 176.099 176.600 -0.296 0.000 1.021 277 E CA 0.060 56.266 56.400 -0.324 0.000 0.887 277 E CB 0.564 30.181 29.700 -0.139 0.000 0.997 277 E HN 0.720 nan 8.360 nan 0.000 0.429 278 W N 2.272 123.566 121.300 -0.010 0.000 2.353 278 W HA -0.183 4.475 4.660 -0.003 0.000 0.319 278 W C 2.297 178.809 176.519 -0.012 0.000 1.207 278 W CA 1.071 58.410 57.345 -0.010 0.000 1.291 278 W CB -0.095 29.359 29.460 -0.010 0.000 1.159 278 W HN 0.696 nan 8.180 nan 0.000 0.478 279 E N 0.725 121.038 120.200 0.189 0.000 2.097 279 E HA -0.290 4.058 4.350 -0.003 0.000 0.196 279 E C 2.207 178.845 176.600 0.064 0.000 1.000 279 E CA 1.882 58.342 56.400 0.101 0.000 0.804 279 E CB -0.356 29.376 29.700 0.053 0.000 0.740 279 E HN 0.171 nan 8.360 nan 0.000 0.454 280 A N 0.879 123.717 122.820 0.030 0.000 1.873 280 A HA -0.228 4.090 4.320 -0.003 0.000 0.218 280 A C 2.140 179.731 177.584 0.011 0.000 1.193 280 A CA 1.671 53.708 52.037 -0.001 0.000 0.629 280 A CB -0.971 18.003 19.000 -0.043 0.000 0.826 280 A HN 0.403 nan 8.150 nan 0.000 0.447 281 L N -0.102 121.131 121.223 0.017 0.000 1.944 281 L HA -0.196 4.142 4.340 -0.003 0.000 0.218 281 L C 2.406 179.317 176.870 0.069 0.000 1.075 281 L CA 2.168 57.034 54.840 0.044 0.000 0.767 281 L CB -0.797 41.318 42.059 0.092 0.000 0.890 281 L HN 0.455 nan 8.230 nan 0.000 0.434 282 L N -1.483 119.798 121.223 0.095 0.000 2.270 282 L HA -0.275 4.063 4.340 -0.003 0.000 0.217 282 L C 2.256 179.156 176.870 0.049 0.000 1.107 282 L CA 0.950 55.833 54.840 0.072 0.000 0.772 282 L CB -0.684 41.413 42.059 0.064 0.000 0.902 282 L HN 0.236 nan 8.230 nan 0.000 0.439 283 V N -0.910 119.029 119.914 0.043 0.000 2.302 283 V HA -0.180 3.938 4.120 -0.003 0.000 0.243 283 V C 2.364 178.488 176.094 0.050 0.000 1.036 283 V CA 1.405 63.727 62.300 0.037 0.000 1.020 283 V CB -0.393 31.445 31.823 0.024 0.000 0.657 283 V HN 0.388 nan 8.190 nan 0.000 0.453 284 E N -0.174 120.051 120.200 0.041 0.000 2.171 284 E HA -0.243 4.105 4.350 -0.003 0.000 0.197 284 E C 2.186 178.824 176.600 0.063 0.000 0.997 284 E CA 1.496 57.922 56.400 0.044 0.000 0.810 284 E CB -0.179 29.537 29.700 0.026 0.000 0.738 284 E HN 0.560 nan 8.360 nan 0.000 0.467 285 M N -0.012 119.629 119.600 0.067 0.000 2.156 285 M HA -0.132 4.346 4.480 -0.003 0.000 0.264 285 M C 2.383 178.761 176.300 0.131 0.000 1.067 285 M CA 1.131 56.479 55.300 0.081 0.000 1.131 285 M CB -0.313 32.330 32.600 0.070 0.000 1.368 285 M HN 0.083 nan 8.290 nan 0.000 0.416 286 L N -0.228 121.084 121.223 0.148 0.000 2.046 286 L HA -0.105 4.233 4.340 -0.003 0.000 0.208 286 L C 2.735 179.779 176.870 0.291 0.000 1.077 286 L CA 1.446 56.452 54.840 0.277 0.000 0.747 286 L CB -1.441 40.725 42.059 0.178 0.000 0.896 286 L HN 0.382 nan 8.230 nan 0.000 0.432 287 G N 0.066 108.972 108.800 0.177 0.000 2.469 287 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.219 287 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.219 287 G C 1.632 176.635 174.900 0.173 0.000 1.150 287 G CA 0.879 46.071 45.100 0.153 0.000 0.763 287 G HN 0.243 nan 8.290 nan 0.000 0.561 288 L N -0.435 120.867 121.223 0.131 0.000 2.068 288 L HA 0.126 4.464 4.340 -0.003 0.000 0.204 288 L C 2.895 179.825 176.870 0.100 0.000 1.076 288 L CA 0.346 55.243 54.840 0.096 0.000 0.753 288 L CB -0.455 41.641 42.059 0.062 0.000 0.910 288 L HN 0.160 nan 8.230 nan 0.000 0.439 289 L N -0.426 120.880 121.223 0.138 0.000 2.129 289 L HA -0.307 4.031 4.340 -0.003 0.000 0.212 289 L C 2.734 179.656 176.870 0.087 0.000 1.087 289 L CA 1.274 56.200 54.840 0.143 0.000 0.757 289 L CB -0.669 41.542 42.059 0.254 0.000 0.896 289 L HN 0.470 nan 8.230 nan 0.000 0.434 290 H N 0.397 119.464 119.070 -0.004 0.000 2.268 290 H HA -0.189 4.365 4.556 -0.003 0.000 0.304 290 H C 2.371 177.667 175.328 -0.053 0.000 1.064 290 H CA 1.753 57.739 56.048 -0.104 0.000 1.316 290 H CB -0.041 29.666 29.762 -0.092 0.000 1.386 290 H HN 0.126 nan 8.280 nan 0.000 0.496 291 R N 0.403 120.777 120.500 -0.211 0.000 2.133 291 R HA -0.135 4.204 4.340 -0.003 0.000 0.247 291 R C 2.757 178.945 176.300 -0.187 0.000 1.151 291 R CA 1.853 57.798 56.100 -0.258 0.000 0.971 291 R CB -0.324 29.955 30.300 -0.036 0.000 0.866 291 R HN 0.439 nan 8.270 nan 0.000 0.447 292 I N -0.143 120.368 120.570 -0.098 0.000 2.142 292 I HA -0.257 3.911 4.170 -0.003 0.000 0.240 292 I C 2.367 178.435 176.117 -0.081 0.000 1.078 292 I CA 1.393 62.657 61.300 -0.060 0.000 1.343 292 I CB -0.377 37.618 38.000 -0.010 0.000 1.046 292 I HN 0.337 nan 8.210 nan 0.000 0.405 293 A N -0.071 122.689 122.820 -0.100 0.000 2.019 293 A HA -0.251 4.067 4.320 -0.003 0.000 0.219 293 A C 2.226 179.729 177.584 -0.136 0.000 1.164 293 A CA 1.593 53.571 52.037 -0.098 0.000 0.644 293 A CB -0.542 18.398 19.000 -0.100 0.000 0.805 293 A HN 0.412 nan 8.150 nan 0.000 0.449 294 M N -0.543 118.921 119.600 -0.228 0.000 2.067 294 M HA -0.101 4.377 4.480 -0.003 0.000 0.260 294 M C 1.942 178.164 176.300 -0.130 0.000 1.069 294 M CA 1.833 56.997 55.300 -0.227 0.000 1.117 294 M CB -0.359 32.015 32.600 -0.377 0.000 1.334 294 M HN 0.132 nan 8.290 nan 0.000 0.407 295 V N 0.695 120.541 119.914 -0.113 0.000 2.343 295 V HA -0.326 3.792 4.120 -0.003 0.000 0.247 295 V C 2.174 178.238 176.094 -0.049 0.000 1.051 295 V CA 1.995 64.254 62.300 -0.068 0.000 1.036 295 V CB -1.038 30.753 31.823 -0.053 0.000 0.654 295 V HN 0.585 nan 8.190 nan 0.000 0.451 296 Q N -0.436 119.336 119.800 -0.047 0.000 1.867 296 Q HA -0.288 4.050 4.340 -0.003 0.000 0.243 296 Q C 2.288 178.267 176.000 -0.034 0.000 1.036 296 Q CA 2.268 58.051 55.803 -0.033 0.000 0.889 296 Q CB -0.765 27.955 28.738 -0.031 0.000 0.983 296 Q HN 0.452 nan 8.270 nan 0.000 0.418 297 L N 0.339 121.538 121.223 -0.041 0.000 2.071 297 L HA -0.202 4.136 4.340 -0.003 0.000 0.244 297 L C 1.078 177.930 176.870 -0.030 0.000 1.107 297 L CA 1.976 56.795 54.840 -0.036 0.000 0.838 297 L CB -0.816 41.218 42.059 -0.043 0.000 0.936 297 L HN 0.315 nan 8.230 nan 0.000 0.445 298 S N -0.511 115.168 115.700 -0.035 0.000 2.422 298 S HA 0.307 4.775 4.470 -0.003 0.000 0.308 298 S C -1.552 173.031 174.600 -0.029 0.000 1.097 298 S CA -1.503 56.681 58.200 -0.027 0.000 1.099 298 S CB 1.522 64.708 63.200 -0.025 0.000 0.976 298 S HN 0.083 nan 8.310 nan 0.000 0.471 299 P HA -0.067 nan 4.420 nan 0.000 0.214 299 P C 1.401 178.690 177.300 -0.019 0.000 1.163 299 P CA 1.542 64.630 63.100 -0.020 0.000 0.883 299 P CB 0.019 31.711 31.700 -0.014 0.000 0.788 300 A N -0.017 122.793 122.820 -0.015 0.000 2.024 300 A HA -0.159 4.159 4.320 -0.003 0.000 0.220 300 A C 2.289 179.865 177.584 -0.015 0.000 1.164 300 A CA 1.947 53.977 52.037 -0.012 0.000 0.643 300 A CB -1.627 17.368 19.000 -0.009 0.000 0.806 300 A HN 0.192 nan 8.150 nan 0.000 0.451 301 A N -0.308 122.499 122.820 -0.022 0.000 1.958 301 A HA -0.092 4.226 4.320 -0.003 0.000 0.221 301 A C 1.291 178.858 177.584 -0.027 0.000 1.178 301 A CA 1.250 53.270 52.037 -0.028 0.000 0.642 301 A CB -0.843 18.129 19.000 -0.046 0.000 0.816 301 A HN 0.784 nan 8.150 nan 0.000 0.453 302 L N 0.363 121.569 121.223 -0.029 0.000 2.559 302 L HA 0.308 4.646 4.340 -0.003 0.000 0.282 302 L C 1.122 177.985 176.870 -0.010 0.000 1.232 302 L CA 0.044 54.869 54.840 -0.024 0.000 0.885 302 L CB 0.118 42.165 42.059 -0.020 0.000 1.131 302 L HN 0.353 nan 8.230 nan 0.000 0.498 303 G N 2.729 111.527 108.800 -0.003 0.000 2.750 303 G HA2 -0.145 3.813 3.960 -0.003 0.000 0.250 303 G HA3 -0.145 3.813 3.960 -0.003 0.000 0.250 303 G C 0.578 175.480 174.900 0.004 0.000 1.230 303 G CA -0.036 45.068 45.100 0.006 0.000 0.883 303 G HN 0.856 nan 8.290 nan 0.000 0.573 304 N N -0.435 118.269 118.700 0.006 0.000 2.356 304 N HA -0.084 4.654 4.740 -0.003 0.000 0.178 304 N C 1.639 177.150 175.510 0.002 0.000 1.075 304 N CA 0.999 54.051 53.050 0.003 0.000 0.889 304 N CB 0.116 38.605 38.487 0.003 0.000 0.999 304 N HN 0.661 nan 8.380 nan 0.000 0.464 305 D N 0.021 120.424 120.400 0.005 0.000 2.323 305 D HA -0.099 4.540 4.640 -0.003 0.000 0.209 305 D C 0.800 177.102 176.300 0.004 0.000 0.973 305 D CA 0.370 54.372 54.000 0.003 0.000 0.874 305 D CB -0.169 40.634 40.800 0.005 0.000 0.930 305 D HN 0.345 nan 8.370 nan 0.000 0.521 306 M N -0.940 118.663 119.600 0.005 0.000 3.307 306 M HA 0.718 5.196 4.480 -0.003 0.000 0.222 306 M C 0.673 176.974 176.300 0.002 0.000 1.243 306 M CA -0.734 54.569 55.300 0.005 0.000 1.270 306 M CB 1.521 34.126 32.600 0.008 0.000 1.187 306 M HN -0.139 nan 8.290 nan 0.000 0.598 307 A N 1.860 124.681 122.820 0.001 0.000 1.855 307 A HA 0.212 4.530 4.320 -0.003 0.000 0.213 307 A C 2.203 179.787 177.584 -0.000 0.000 1.195 307 A CA 1.558 53.595 52.037 -0.000 0.000 0.610 307 A CB -0.634 18.366 19.000 -0.001 0.000 0.837 307 A HN 0.827 nan 8.150 nan 0.000 0.444 308 A N -1.276 121.544 122.820 -0.000 0.000 2.285 308 A HA 0.059 4.377 4.320 -0.003 0.000 0.214 308 A C 1.655 179.239 177.584 -0.000 0.000 1.188 308 A CA 1.491 53.527 52.037 -0.000 0.000 0.707 308 A CB -0.476 18.524 19.000 -0.001 0.000 0.771 308 A HN 0.519 nan 8.150 nan 0.000 0.488 309 I N -2.716 117.855 120.570 0.001 0.000 4.655 309 I HA 0.024 4.192 4.170 -0.003 0.000 0.333 309 I C 1.878 177.996 176.117 0.001 0.000 1.312 309 I CA 0.318 61.618 61.300 0.001 0.000 1.270 309 I CB 0.212 38.214 38.000 0.003 0.000 1.318 309 I HN 0.448 nan 8.210 nan 0.000 0.456 310 E N 1.898 122.098 120.200 0.000 0.000 2.130 310 E HA -0.256 4.092 4.350 -0.003 0.000 0.196 310 E C 2.245 178.845 176.600 -0.001 0.000 0.998 310 E CA 1.348 57.747 56.400 -0.001 0.000 0.806 310 E CB 0.098 29.797 29.700 -0.002 0.000 0.738 310 E HN 0.470 nan 8.360 nan 0.000 0.459 311 L N 0.496 121.719 121.223 -0.001 0.000 2.043 311 L HA -0.230 4.108 4.340 -0.003 0.000 0.212 311 L C 2.892 179.762 176.870 0.000 0.000 1.075 311 L CA 1.598 56.438 54.840 -0.000 0.000 0.752 311 L CB -0.231 41.828 42.059 0.000 0.000 0.891 311 L HN 0.200 nan 8.230 nan 0.000 0.432 312 R N -1.351 119.149 120.500 0.000 0.000 2.127 312 R HA -0.068 4.270 4.340 -0.003 0.000 0.217 312 R C 2.247 178.547 176.300 0.001 0.000 1.074 312 R CA 0.712 56.813 56.100 0.001 0.000 0.991 312 R CB 0.113 30.413 30.300 0.000 0.000 0.895 312 R HN 0.302 nan 8.270 nan 0.000 0.450 313 M N 0.115 119.715 119.600 0.000 0.000 2.098 313 M HA -0.097 4.381 4.480 -0.003 0.000 0.262 313 M C 2.077 178.376 176.300 -0.002 0.000 1.072 313 M CA 1.406 56.706 55.300 -0.000 0.000 1.133 313 M CB -0.753 31.846 32.600 -0.002 0.000 1.344 313 M HN 0.022 nan 8.290 nan 0.000 0.414 314 R N 0.349 120.847 120.500 -0.003 0.000 2.119 314 R HA -0.220 4.118 4.340 -0.003 0.000 0.246 314 R C 2.023 178.323 176.300 -0.000 0.000 1.146 314 R CA 1.743 57.840 56.100 -0.004 0.000 0.962 314 R CB -0.745 29.553 30.300 -0.004 0.000 0.863 314 R HN 0.390 nan 8.270 nan 0.000 0.442 315 E N 0.863 121.064 120.200 0.002 0.000 2.038 315 E HA -0.140 4.208 4.350 -0.003 0.000 0.195 315 E C 2.101 178.707 176.600 0.009 0.000 1.000 315 E CA 1.207 57.610 56.400 0.005 0.000 0.803 315 E CB -0.418 29.286 29.700 0.006 0.000 0.750 315 E HN 0.245 nan 8.360 nan 0.000 0.448 316 L N -0.266 120.963 121.223 0.009 0.000 2.127 316 L HA -0.218 4.120 4.340 -0.003 0.000 0.211 316 L C 2.350 179.233 176.870 0.021 0.000 1.089 316 L CA 1.216 56.066 54.840 0.016 0.000 0.757 316 L CB -0.402 41.664 42.059 0.011 0.000 0.899 316 L HN 0.255 nan 8.230 nan 0.000 0.434 317 A N -0.147 122.679 122.820 0.010 0.000 1.929 317 A HA -0.204 4.114 4.320 -0.003 0.000 0.216 317 A C 2.413 180.002 177.584 0.009 0.000 1.176 317 A CA 1.442 53.483 52.037 0.007 0.000 0.628 317 A CB -0.474 18.521 19.000 -0.007 0.000 0.816 317 A HN 0.421 nan 8.150 nan 0.000 0.444 318 R N 0.088 120.593 120.500 0.008 0.000 2.090 318 R HA -0.100 4.238 4.340 -0.003 0.000 0.228 318 R C 1.679 177.988 176.300 0.015 0.000 1.110 318 R CA 2.065 58.170 56.100 0.008 0.000 0.973 318 R CB -0.482 29.822 30.300 0.006 0.000 0.869 318 R HN 0.530 nan 8.270 nan 0.000 0.440 319 T N -1.630 112.937 114.554 0.021 0.000 3.060 319 T HA 0.310 4.658 4.350 -0.003 0.000 0.249 319 T C 0.938 175.662 174.700 0.040 0.000 1.079 319 T CA -0.169 61.948 62.100 0.028 0.000 1.013 319 T CB 0.036 68.920 68.868 0.028 0.000 0.975 319 T HN 0.101 nan 8.240 nan 0.000 0.518 320 I N 1.857 122.456 120.570 0.047 0.000 2.465 320 I HA 0.439 4.607 4.170 -0.003 0.000 0.291 320 I C -2.891 173.256 176.117 0.050 0.000 1.014 320 I CA -3.139 58.202 61.300 0.068 0.000 1.093 320 I CB 2.018 40.089 38.000 0.117 0.000 1.267 320 I HN -0.223 nan 8.210 nan 0.000 0.431 321 P HA 0.164 nan 4.420 nan 0.000 0.271 321 P C -2.128 175.180 177.300 0.013 0.000 1.220 321 P CA -1.177 61.931 63.100 0.014 0.000 0.768 321 P CB 0.224 31.923 31.700 -0.001 0.000 0.848 322 P HA -0.281 nan 4.420 nan 0.000 0.216 322 P C 1.661 178.955 177.300 -0.009 0.000 1.157 322 P CA 2.250 65.350 63.100 -0.000 0.000 0.880 322 P CB -0.590 31.104 31.700 -0.009 0.000 0.791 323 T N -2.915 111.627 114.554 -0.019 0.000 2.653 323 T HA -0.271 4.077 4.350 -0.003 0.000 0.268 323 T C 1.546 176.210 174.700 -0.059 0.000 1.035 323 T CA 2.108 64.188 62.100 -0.033 0.000 1.154 323 T CB -1.394 67.452 68.868 -0.036 0.000 0.862 323 T HN 0.004 nan 8.240 nan 0.000 0.441 324 D N 1.110 121.465 120.400 -0.074 0.000 2.104 324 D HA 0.021 4.659 4.640 -0.003 0.000 0.194 324 D C 2.141 178.340 176.300 -0.167 0.000 0.994 324 D CA 0.992 54.893 54.000 -0.165 0.000 0.830 324 D CB -0.448 40.291 40.800 -0.101 0.000 0.959 324 D HN 0.471 nan 8.370 nan 0.000 0.452 325 I N 0.675 121.266 120.570 0.035 0.000 2.208 325 I HA -0.267 3.902 4.170 -0.003 0.000 0.245 325 I C 2.279 178.474 176.117 0.130 0.000 1.097 325 I CA 0.965 62.367 61.300 0.171 0.000 1.363 325 I CB -0.210 37.867 38.000 0.129 0.000 1.051 325 I HN 0.073 nan 8.210 nan 0.000 0.413 326 Q N 0.134 119.964 119.800 0.050 0.000 2.124 326 Q HA -0.206 4.132 4.340 -0.003 0.000 0.202 326 Q C 2.218 178.266 176.000 0.081 0.000 0.977 326 Q CA 1.292 57.140 55.803 0.074 0.000 0.850 326 Q CB -0.595 28.161 28.738 0.030 0.000 0.901 326 Q HN 0.408 nan 8.270 nan 0.000 0.429 327 L N 0.283 121.482 121.223 -0.041 0.000 1.971 327 L HA -0.236 4.103 4.340 -0.003 0.000 0.215 327 L C 2.041 178.885 176.870 -0.045 0.000 1.072 327 L CA 1.936 56.708 54.840 -0.113 0.000 0.758 327 L CB -1.285 40.607 42.059 -0.277 0.000 0.889 327 L HN 0.093 nan 8.230 nan 0.000 0.433 328 Y N -1.154 119.210 120.300 0.108 0.000 2.053 328 Y HA -0.336 4.213 4.550 -0.003 0.000 0.277 328 Y C 2.571 178.555 175.900 0.139 0.000 1.159 328 Y CA 2.257 60.430 58.100 0.122 0.000 1.125 328 Y CB -1.700 36.837 38.460 0.128 0.000 0.969 328 Y HN 0.312 nan 8.280 nan 0.000 0.492 329 Y N 0.983 121.401 120.300 0.196 0.000 1.997 329 Y HA -0.448 4.100 4.550 -0.003 0.000 0.265 329 Y C 2.780 178.725 175.900 0.076 0.000 1.193 329 Y CA 2.422 60.593 58.100 0.119 0.000 1.106 329 Y CB -1.020 37.500 38.460 0.100 0.000 0.940 329 Y HN 0.194 nan 8.280 nan 0.000 0.494 330 Q N -0.288 119.594 119.800 0.137 0.000 2.045 330 Q HA -0.266 4.072 4.340 -0.003 0.000 0.215 330 Q C 2.153 178.123 176.000 -0.050 0.000 1.026 330 Q CA 3.471 59.281 55.803 0.012 0.000 0.885 330 Q CB -1.122 27.637 28.738 0.035 0.000 0.984 330 Q HN 0.600 nan 8.270 nan 0.000 0.414 331 T N 0.489 115.044 114.554 0.002 0.000 2.867 331 T HA -0.047 4.301 4.350 -0.003 0.000 0.268 331 T C 1.665 176.363 174.700 -0.003 0.000 1.057 331 T CA 1.133 63.233 62.100 -0.001 0.000 1.136 331 T CB -0.124 68.778 68.868 0.058 0.000 0.874 331 T HN 0.211 nan 8.240 nan 0.000 0.466 332 L N -0.019 121.200 121.223 -0.006 0.000 2.313 332 L HA 0.123 4.461 4.340 -0.003 0.000 0.214 332 L C 2.210 179.017 176.870 -0.105 0.000 1.119 332 L CA 0.446 55.271 54.840 -0.026 0.000 0.809 332 L CB -0.279 41.786 42.059 0.009 0.000 0.933 332 L HN 0.242 nan 8.230 nan 0.000 0.449 333 L N 0.730 121.835 121.223 -0.197 0.000 2.049 333 L HA -0.115 4.223 4.340 -0.003 0.000 0.203 333 L C 2.361 179.161 176.870 -0.116 0.000 1.074 333 L CA 1.517 56.216 54.840 -0.235 0.000 0.749 333 L CB -0.332 41.502 42.059 -0.376 0.000 0.907 333 L HN 0.212 nan 8.230 nan 0.000 0.439 334 I N -2.187 118.330 120.570 -0.088 0.000 2.335 334 I HA -0.118 4.051 4.170 -0.003 0.000 0.251 334 I C 2.188 178.289 176.117 -0.026 0.000 1.129 334 I CA 1.631 62.903 61.300 -0.048 0.000 1.402 334 I CB -1.394 36.577 38.000 -0.049 0.000 1.069 334 I HN 0.261 nan 8.210 nan 0.000 0.424 335 G N 0.957 109.739 108.800 -0.030 0.000 2.442 335 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.219 335 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.219 335 G C 1.866 176.763 174.900 -0.005 0.000 1.141 335 G CA 0.809 45.903 45.100 -0.011 0.000 0.763 335 G HN 0.420 nan 8.290 nan 0.000 0.554 336 R N 0.209 120.698 120.500 -0.018 0.000 2.055 336 R HA 0.030 4.368 4.340 -0.003 0.000 0.228 336 R C 2.548 178.848 176.300 -0.000 0.000 1.143 336 R CA 1.326 57.419 56.100 -0.012 0.000 0.945 336 R CB -0.392 29.890 30.300 -0.030 0.000 0.841 336 R HN 0.251 nan 8.270 nan 0.000 0.429 337 K N 0.586 120.987 120.400 0.002 0.000 2.163 337 K HA -0.239 4.079 4.320 -0.003 0.000 0.210 337 K C 1.725 178.384 176.600 0.099 0.000 1.048 337 K CA 2.127 58.438 56.287 0.039 0.000 0.928 337 K CB -0.006 32.512 32.500 0.029 0.000 0.716 337 K HN 0.310 nan 8.250 nan 0.000 0.459 338 E N -0.016 120.232 120.200 0.080 0.000 2.230 338 E HA -0.129 4.219 4.350 -0.003 0.000 0.192 338 E C 1.858 178.514 176.600 0.094 0.000 0.987 338 E CA 0.261 56.739 56.400 0.130 0.000 0.841 338 E CB 0.042 29.783 29.700 0.068 0.000 0.783 338 E HN 0.150 nan 8.360 nan 0.000 0.481 339 L N 1.667 122.903 121.223 0.022 0.000 2.043 339 L HA -0.157 4.181 4.340 -0.003 0.000 0.212 339 L C -1.014 175.816 176.870 -0.066 0.000 1.075 339 L CA 2.055 56.887 54.840 -0.013 0.000 0.752 339 L CB -0.974 41.083 42.059 -0.005 0.000 0.891 339 L HN 0.017 nan 8.230 nan 0.000 0.432 340 P HA -0.237 nan 4.420 nan 0.000 0.217 340 P C 1.099 178.200 177.300 -0.332 0.000 1.158 340 P CA 1.999 64.874 63.100 -0.374 0.000 0.887 340 P CB -0.192 31.020 31.700 -0.814 0.000 0.792 341 Y N -1.540 118.756 120.300 -0.006 0.000 2.517 341 Y HA 0.292 4.840 4.550 -0.003 0.000 0.281 341 Y C 1.572 177.463 175.900 -0.014 0.000 1.125 341 Y CA -0.354 57.740 58.100 -0.009 0.000 1.283 341 Y CB -0.570 37.885 38.460 -0.010 0.000 1.042 341 Y HN -0.149 nan 8.280 nan 0.000 0.547 342 A N 2.068 124.947 122.820 0.099 0.000 2.425 342 A HA 0.092 4.410 4.320 -0.003 0.000 0.242 342 A C -1.051 176.540 177.584 0.012 0.000 1.077 342 A CA -1.005 51.056 52.037 0.041 0.000 0.781 342 A CB -0.208 18.794 19.000 0.004 0.000 1.020 342 A HN 0.128 nan 8.150 nan 0.000 0.494 343 P HA -0.059 nan 4.420 nan 0.000 0.218 343 P C -0.092 177.196 177.300 -0.020 0.000 1.149 343 P CA 1.579 64.675 63.100 -0.006 0.000 0.817 343 P CB 0.068 31.761 31.700 -0.012 0.000 0.785 344 D N -1.861 118.512 120.400 -0.046 0.000 2.990 344 D HA 0.164 4.802 4.640 -0.003 0.000 0.227 344 D C 0.935 177.170 176.300 -0.108 0.000 1.249 344 D CA -0.732 53.232 54.000 -0.061 0.000 0.891 344 D CB 1.292 42.049 40.800 -0.071 0.000 1.647 344 D HN -0.349 nan 8.370 nan 0.000 0.530 345 R N 1.781 122.237 120.500 -0.073 0.000 2.117 345 R HA -0.167 4.171 4.340 -0.003 0.000 0.243 345 R C 2.035 178.120 176.300 -0.357 0.000 1.143 345 R CA 1.695 57.748 56.100 -0.080 0.000 0.968 345 R CB 0.018 30.378 30.300 0.100 0.000 0.863 345 R HN 0.471 nan 8.270 nan 0.000 0.444 346 R N 0.637 120.730 120.500 -0.678 0.000 2.075 346 R HA -0.133 4.205 4.340 -0.003 0.000 0.230 346 R C 2.261 178.140 176.300 -0.701 0.000 1.140 346 R CA 1.835 57.159 56.100 -1.293 0.000 0.928 346 R CB -0.363 29.337 30.300 -1.000 0.000 0.834 346 R HN 0.098 nan 8.270 nan 0.000 0.429 347 M N 0.175 119.536 119.600 -0.399 0.000 2.128 347 M HA -0.209 4.269 4.480 -0.003 0.000 0.253 347 M C 2.056 178.236 176.300 -0.199 0.000 1.079 347 M CA 2.308 57.465 55.300 -0.238 0.000 1.082 347 M CB -0.453 32.059 32.600 -0.147 0.000 1.335 347 M HN 0.550 nan 8.290 nan 0.000 0.401 348 G N -1.389 107.296 108.800 -0.191 0.000 2.402 348 G HA2 -0.149 3.810 3.960 -0.003 0.000 0.216 348 G HA3 -0.149 3.810 3.960 -0.003 0.000 0.216 348 G C 1.336 176.162 174.900 -0.123 0.000 1.162 348 G CA 0.906 45.935 45.100 -0.118 0.000 0.777 348 G HN 0.383 nan 8.290 nan 0.000 0.539 349 V N 0.548 120.340 119.914 -0.203 0.000 2.270 349 V HA -0.161 3.958 4.120 -0.003 0.000 0.245 349 V C 2.623 178.639 176.094 -0.131 0.000 1.043 349 V CA 2.201 64.418 62.300 -0.138 0.000 1.014 349 V CB -0.608 31.142 31.823 -0.121 0.000 0.645 349 V HN 0.448 nan 8.190 nan 0.000 0.447 350 E N -0.610 119.455 120.200 -0.224 0.000 2.055 350 E HA -0.381 3.967 4.350 -0.003 0.000 0.209 350 E C 2.128 178.685 176.600 -0.072 0.000 1.036 350 E CA 2.279 58.594 56.400 -0.143 0.000 0.849 350 E CB -0.318 29.279 29.700 -0.172 0.000 0.767 350 E HN 0.401 nan 8.360 nan 0.000 0.461 351 M N 0.285 119.841 119.600 -0.073 0.000 2.202 351 M HA -0.141 4.337 4.480 -0.003 0.000 0.262 351 M C 2.034 178.334 176.300 0.001 0.000 1.063 351 M CA 1.633 56.915 55.300 -0.029 0.000 1.097 351 M CB -0.190 32.391 32.600 -0.031 0.000 1.382 351 M HN -0.044 nan 8.290 nan 0.000 0.413 352 T N -0.184 114.366 114.554 -0.006 0.000 2.985 352 T HA 0.076 4.424 4.350 -0.003 0.000 0.266 352 T C 1.629 176.357 174.700 0.046 0.000 1.076 352 T CA 0.844 62.956 62.100 0.020 0.000 1.135 352 T CB -0.083 68.791 68.868 0.011 0.000 0.890 352 T HN 0.355 nan 8.240 nan 0.000 0.480 353 L N 0.314 121.557 121.223 0.032 0.000 2.209 353 L HA 0.156 4.494 4.340 -0.003 0.000 0.207 353 L C 2.205 179.109 176.870 0.057 0.000 1.094 353 L CA 0.641 55.509 54.840 0.047 0.000 0.790 353 L CB -0.295 41.779 42.059 0.025 0.000 0.932 353 L HN 0.243 nan 8.230 nan 0.000 0.447 354 L N -0.414 120.834 121.223 0.042 0.000 2.191 354 L HA -0.205 4.134 4.340 -0.003 0.000 0.212 354 L C 2.717 179.650 176.870 0.106 0.000 1.103 354 L CA 1.069 55.940 54.840 0.051 0.000 0.769 354 L CB -0.520 41.556 42.059 0.028 0.000 0.908 354 L HN 0.318 nan 8.230 nan 0.000 0.438 355 R N 0.364 120.943 120.500 0.133 0.000 2.066 355 R HA -0.142 4.196 4.340 -0.003 0.000 0.232 355 R C 2.408 178.882 176.300 0.291 0.000 1.131 355 R CA 1.306 57.545 56.100 0.232 0.000 0.955 355 R CB -0.208 30.185 30.300 0.154 0.000 0.851 355 R HN 0.286 nan 8.270 nan 0.000 0.432 356 A N 1.657 124.610 122.820 0.222 0.000 1.859 356 A HA -0.270 4.048 4.320 -0.003 0.000 0.218 356 A C 2.181 179.942 177.584 0.295 0.000 1.242 356 A CA 2.112 54.322 52.037 0.289 0.000 0.661 356 A CB -1.201 17.958 19.000 0.266 0.000 0.842 356 A HN 0.378 nan 8.150 nan 0.000 0.455 357 L N -1.065 120.261 121.223 0.171 0.000 2.010 357 L HA -0.334 4.004 4.340 -0.003 0.000 0.219 357 L C 3.113 180.054 176.870 0.118 0.000 1.077 357 L CA 1.749 56.646 54.840 0.095 0.000 0.773 357 L CB -0.940 41.126 42.059 0.011 0.000 0.892 357 L HN 0.537 nan 8.230 nan 0.000 0.436 358 A N -0.202 122.669 122.820 0.084 0.000 1.883 358 A HA -0.188 4.130 4.320 -0.003 0.000 0.217 358 A C 1.679 179.124 177.584 -0.231 0.000 1.186 358 A CA 1.674 53.664 52.037 -0.079 0.000 0.624 358 A CB -0.808 18.123 19.000 -0.114 0.000 0.822 358 A HN 0.399 nan 8.150 nan 0.000 0.444 359 F N -0.229 119.770 119.950 0.082 0.000 2.701 359 F HA 0.174 4.699 4.527 -0.003 0.000 0.295 359 F C 0.937 176.788 175.800 0.085 0.000 1.165 359 F CA -0.367 57.671 58.000 0.062 0.000 1.399 359 F CB -0.408 38.611 39.000 0.032 0.000 0.996 359 F HN 0.313 nan 8.300 nan 0.000 0.513 360 H N 2.263 121.410 119.070 0.128 0.000 2.848 360 H HA 0.028 4.583 4.556 -0.003 0.000 0.341 360 H C -1.645 173.725 175.328 0.071 0.000 1.060 360 H CA -1.276 54.848 56.048 0.127 0.000 1.444 360 H CB 1.583 31.424 29.762 0.130 0.000 1.446 360 H HN 0.019 nan 8.280 nan 0.000 0.583 361 P HA -0.117 nan 4.420 nan 0.000 0.214 361 P C 1.258 178.422 177.300 -0.228 0.000 1.162 361 P CA 1.064 63.995 63.100 -0.283 0.000 0.879 361 P CB 0.421 31.926 31.700 -0.326 0.000 0.786 362 R N -1.488 118.797 120.500 -0.359 0.000 2.173 362 R HA 0.275 4.613 4.340 -0.003 0.000 0.208 362 R C 0.893 177.245 176.300 0.087 0.000 1.035 362 R CA 0.602 56.657 56.100 -0.074 0.000 1.004 362 R CB -0.450 29.845 30.300 -0.010 0.000 0.917 362 R HN 0.321 nan 8.270 nan 0.000 0.462 363 M N 0.736 120.503 119.600 0.278 0.000 2.769 363 M HA 0.280 4.758 4.480 -0.003 0.000 0.309 363 M C -2.602 173.846 176.300 0.247 0.000 1.427 363 M CA -1.595 53.851 55.300 0.243 0.000 0.657 363 M CB 2.512 35.235 32.600 0.205 0.000 1.947 363 M HN -0.319 nan 8.290 nan 0.000 0.396 364 P HA 0.002 nan 4.420 nan 0.000 0.266 364 P C -0.242 177.079 177.300 0.035 0.000 1.193 364 P CA -0.364 62.786 63.100 0.082 0.000 0.770 364 P CB 0.479 32.182 31.700 0.004 0.000 0.836 365 L N 5.335 126.561 121.223 0.004 0.000 2.529 365 L HA 0.096 4.434 4.340 -0.003 0.000 0.287 365 L C -1.790 175.061 176.870 -0.031 0.000 1.241 365 L CA -0.936 53.892 54.840 -0.020 0.000 0.857 365 L CB -1.113 40.926 42.059 -0.034 0.000 1.113 365 L HN 0.367 nan 8.230 nan 0.000 0.504 366 P HA 0.126 nan 4.420 nan 0.000 0.270 366 P C -0.821 176.461 177.300 -0.031 0.000 1.242 366 P CA -0.235 62.851 63.100 -0.023 0.000 0.768 366 P CB 0.414 32.105 31.700 -0.015 0.000 0.820 367 E N 4.229 124.408 120.200 -0.035 0.000 2.390 367 E HA 0.194 4.543 4.350 -0.003 0.000 0.261 367 E C -1.435 175.150 176.600 -0.025 0.000 1.076 367 E CA -1.225 55.154 56.400 -0.036 0.000 0.905 367 E CB -0.190 29.486 29.700 -0.039 0.000 0.984 367 E HN 0.346 nan 8.360 nan 0.000 0.427 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.090 63.100 -0.016 0.000 0.800 368 P CB 0.000 31.691 31.700 -0.016 0.000 0.726