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 1tdk_1_A DATA FIRST_RESID 3 DATA SEQUENCE DRNPLEEcFR ETDYEEFLEI ARNGLKATSN PKHVVVVGAG MSGLSAAYVL DATA SEQUENCE SGAGHQVTVL EASERAGGRV RTYRNDKEDW YANLGPMRLP EKHRIVREYI DATA SEQUENCE RKFGLQLNEF SQENDNAWYF IKNIRKRVGE VKKDPGVLKY PVKPSEEGKS DATA SEQUENCE AGQLYEESLG KVVEELKRTN cSYILNKYDT YSTKEYLLKE GNLSPGAVDM DATA SEQUENCE IGDLMNEDSG YYVSFPESLR HDDIFAYEKR FDEIVGGMDK LPTSMYRAIE DATA SEQUENCE EKVHLNAQVI KIQKNAEKVT VVYQTPAKEM ASVTADYVIV CTTSRATRRI DATA SEQUENCE KFEPPLPPKK AHALRSVHYR SGTKIFLTcT KKFWEDEGIH GGKSTTDLPS DATA SEQUENCE RFIYYPNHNF TSGVGVIIAY GIGDDANFFQ ALDFKDCADI VINDLSLIHQ DATA SEQUENCE LPREEIQTFc YPSMIQKWSL DKYAMGGITT FTPYQFQHFS ESLTASVDRI DATA SEQUENCE YFAGEHTAEA HGWIDSTIKS GLRAARDVNR ASEQ 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.408 176.300 0.181 0.000 2.045 3 D CA 0.000 54.113 54.000 0.189 0.000 0.868 3 D CB 0.000 40.864 40.800 0.106 0.000 0.688 4 R N 1.121 121.722 120.500 0.169 0.000 1.756 4 R HA -0.205 4.135 4.340 -0.000 0.000 0.379 4 R C -0.335 175.805 176.300 -0.266 0.000 1.251 4 R CA -0.002 56.075 56.100 -0.039 0.000 1.119 4 R CB -0.620 29.659 30.300 -0.035 0.000 3.262 4 R HN 0.519 nan 8.270 nan 0.000 0.487 5 N N 5.185 123.400 118.700 -0.807 0.000 2.411 5 N HA 0.011 4.751 4.740 -0.000 0.000 0.261 5 N C -1.297 173.985 175.510 -0.380 0.000 1.248 5 N CA -1.433 50.992 53.050 -1.042 0.000 0.885 5 N CB 0.694 38.483 38.487 -1.163 0.000 1.062 5 N HN 0.268 nan 8.380 nan 0.000 0.471 6 P HA -0.077 nan 4.420 nan 0.000 0.242 6 P C 0.213 177.435 177.300 -0.131 0.000 1.198 6 P CA 0.999 64.028 63.100 -0.117 0.000 0.756 6 P CB 0.142 31.813 31.700 -0.048 0.000 0.911 7 L N -1.760 119.365 121.223 -0.165 0.000 3.086 7 L HA 0.212 4.552 4.340 -0.000 0.000 0.274 7 L C 2.045 178.733 176.870 -0.302 0.000 1.184 7 L CA -0.169 54.535 54.840 -0.227 0.000 1.002 7 L CB -0.212 41.740 42.059 -0.178 0.000 1.383 7 L HN -0.154 nan 8.230 nan 0.000 0.582 8 E N 1.741 121.826 120.200 -0.192 0.000 2.170 8 E HA -0.373 3.977 4.350 -0.000 0.000 0.229 8 E C 1.727 178.213 176.600 -0.189 0.000 1.074 8 E CA 2.573 58.883 56.400 -0.149 0.000 0.930 8 E CB -0.271 29.342 29.700 -0.145 0.000 0.806 8 E HN 0.661 nan 8.360 nan 0.000 0.478 9 E N 0.502 120.589 120.200 -0.188 0.000 2.169 9 E HA -0.265 4.085 4.350 -0.000 0.000 0.202 9 E C 2.092 178.552 176.600 -0.235 0.000 1.016 9 E CA 1.825 58.123 56.400 -0.169 0.000 0.817 9 E CB -0.592 29.027 29.700 -0.136 0.000 0.736 9 E HN 0.309 nan 8.360 nan 0.000 0.462 10 c N -0.028 118.318 118.600 -0.423 0.000 2.456 10 c HA 0.025 4.595 4.570 -0.000 0.000 0.279 10 c C 1.036 174.742 174.090 -0.639 0.000 1.427 10 c CA 0.006 55.974 56.329 -0.602 0.000 1.778 10 c CB -1.152 40.820 42.510 -0.896 0.000 1.842 10 c HN 0.374 nan 8.230 nan 0.000 0.531 11 F N 0.318 120.190 119.950 -0.130 0.000 2.735 11 F HA 0.312 4.839 4.527 -0.000 0.000 0.304 11 F C 0.917 176.619 175.800 -0.163 0.000 1.119 11 F CA -0.569 57.342 58.000 -0.149 0.000 1.280 11 F CB -0.432 38.468 39.000 -0.167 0.000 0.994 11 F HN -0.012 nan 8.300 nan 0.000 0.520 12 R N 1.495 121.973 120.500 -0.036 0.000 2.254 12 R HA 0.192 4.532 4.340 -0.000 0.000 0.318 12 R C 0.351 176.620 176.300 -0.051 0.000 1.031 12 R CA -0.539 55.508 56.100 -0.089 0.000 0.905 12 R CB 1.002 31.256 30.300 -0.077 0.000 1.050 12 R HN 0.126 nan 8.270 nan 0.000 0.456 13 E N 1.770 121.905 120.200 -0.109 0.000 2.481 13 E HA -0.052 4.298 4.350 -0.000 0.000 0.263 13 E C -0.182 176.499 176.600 0.135 0.000 0.992 13 E CA 0.761 57.173 56.400 0.021 0.000 0.938 13 E CB 0.509 30.252 29.700 0.071 0.000 0.933 13 E HN 0.378 nan 8.360 nan 0.000 0.453 14 T N 3.407 118.056 114.554 0.160 0.000 2.834 14 T HA 0.014 4.364 4.350 -0.000 0.000 0.298 14 T C -0.005 174.875 174.700 0.299 0.000 0.966 14 T CA -0.267 61.946 62.100 0.188 0.000 1.141 14 T CB 0.146 69.117 68.868 0.172 0.000 0.905 14 T HN 0.364 nan 8.240 nan 0.000 0.535 15 D N 0.951 121.490 120.400 0.232 0.000 2.837 15 D HA -0.206 4.434 4.640 -0.000 0.000 0.230 15 D C 0.431 176.912 176.300 0.302 0.000 1.152 15 D CA 0.546 54.664 54.000 0.197 0.000 0.736 15 D CB -1.569 39.309 40.800 0.130 0.000 1.084 15 D HN 0.735 nan 8.370 nan 0.000 0.429 16 Y N 0.816 121.221 120.300 0.175 0.000 2.193 16 Y HA -0.271 4.279 4.550 -0.000 0.000 0.285 16 Y C 2.079 178.051 175.900 0.121 0.000 1.166 16 Y CA 2.094 60.295 58.100 0.169 0.000 1.181 16 Y CB 0.247 38.754 38.460 0.078 0.000 0.976 16 Y HN 0.030 nan 8.280 nan 0.000 0.520 17 E N 0.241 120.485 120.200 0.074 0.000 2.072 17 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 17 E C 2.081 178.617 176.600 -0.107 0.000 0.985 17 E CA 1.437 57.816 56.400 -0.035 0.000 0.801 17 E CB -0.210 29.490 29.700 0.001 0.000 0.750 17 E HN 0.670 nan 8.360 nan 0.000 0.452 18 E N -0.135 119.978 120.200 -0.145 0.000 2.031 18 E HA -0.160 4.189 4.350 -0.000 0.000 0.193 18 E C 1.994 178.409 176.600 -0.308 0.000 0.994 18 E CA 0.979 57.213 56.400 -0.277 0.000 0.800 18 E CB -0.281 29.146 29.700 -0.456 0.000 0.752 18 E HN 0.187 nan 8.360 nan 0.000 0.447 19 F N 0.979 120.872 119.950 -0.095 0.000 2.216 19 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 19 F C 2.205 177.901 175.800 -0.173 0.000 1.085 19 F CA 0.750 58.687 58.000 -0.105 0.000 1.326 19 F CB -0.351 38.596 39.000 -0.087 0.000 1.027 19 F HN 0.033 nan 8.300 nan 0.000 0.497 20 L N -0.233 120.910 121.223 -0.132 0.000 2.027 20 L HA -0.180 4.160 4.340 -0.000 0.000 0.206 20 L C 2.649 179.434 176.870 -0.141 0.000 1.074 20 L CA 1.540 56.251 54.840 -0.216 0.000 0.745 20 L CB -0.349 41.534 42.059 -0.294 0.000 0.898 20 L HN 0.094 nan 8.230 nan 0.000 0.433 21 E N 0.417 120.543 120.200 -0.123 0.000 2.110 21 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 21 E C 2.212 178.760 176.600 -0.087 0.000 0.988 21 E CA 1.267 57.604 56.400 -0.105 0.000 0.804 21 E CB -0.057 29.580 29.700 -0.104 0.000 0.745 21 E HN 0.585 nan 8.360 nan 0.000 0.458 22 I N 0.595 121.125 120.570 -0.066 0.000 2.315 22 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 22 I C 2.491 178.617 176.117 0.015 0.000 1.117 22 I CA 0.951 62.245 61.300 -0.010 0.000 1.404 22 I CB -0.311 37.719 38.000 0.050 0.000 1.071 22 I HN 0.038 nan 8.210 nan 0.000 0.419 23 A N 0.708 123.515 122.820 -0.021 0.000 1.969 23 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 23 A C 2.402 179.803 177.584 -0.304 0.000 1.169 23 A CA 1.176 53.115 52.037 -0.163 0.000 0.635 23 A CB -0.364 18.500 19.000 -0.228 0.000 0.810 23 A HN 0.309 nan 8.150 nan 0.000 0.445 24 R N -0.644 119.736 120.500 -0.201 0.000 2.066 24 R HA 0.027 4.367 4.340 -0.000 0.000 0.224 24 R C 0.871 177.096 176.300 -0.124 0.000 1.122 24 R CA 1.308 57.298 56.100 -0.183 0.000 0.974 24 R CB -0.176 30.040 30.300 -0.141 0.000 0.871 24 R HN 0.472 nan 8.270 nan 0.000 0.435 25 N N -0.438 118.210 118.700 -0.087 0.000 2.220 25 N HA 0.106 4.846 4.740 -0.000 0.000 0.195 25 N C 0.572 176.058 175.510 -0.040 0.000 1.123 25 N CA 0.808 53.820 53.050 -0.062 0.000 0.874 25 N CB 1.508 39.959 38.487 -0.060 0.000 0.995 25 N HN 0.270 nan 8.380 nan 0.000 0.498 26 G N 1.102 109.892 108.800 -0.018 0.000 2.757 26 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.638 26 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.638 26 G C -0.607 174.292 174.900 -0.001 0.000 1.344 26 G CA -0.742 44.364 45.100 0.010 0.000 0.855 26 G HN 0.110 nan 8.290 nan 0.000 0.537 27 L N 0.061 121.289 121.223 0.009 0.000 2.466 27 L HA 0.366 4.706 4.340 -0.000 0.000 0.257 27 L C 1.110 177.966 176.870 -0.024 0.000 1.189 27 L CA -0.513 54.327 54.840 -0.000 0.000 0.813 27 L CB 0.456 42.529 42.059 0.024 0.000 1.118 27 L HN 0.594 nan 8.230 nan 0.000 0.471 28 K N 1.588 121.971 120.400 -0.028 0.000 2.412 28 K HA 0.288 4.608 4.320 -0.000 0.000 0.284 28 K C -0.011 176.562 176.600 -0.044 0.000 1.046 28 K CA -0.351 55.914 56.287 -0.037 0.000 0.999 28 K CB 0.513 32.993 32.500 -0.035 0.000 0.941 28 K HN 0.592 nan 8.250 nan 0.000 0.474 29 A N 3.108 125.895 122.820 -0.056 0.000 2.587 29 A HA -0.035 4.285 4.320 -0.000 0.000 0.235 29 A C 0.474 178.004 177.584 -0.091 0.000 1.044 29 A CA 0.285 52.274 52.037 -0.080 0.000 0.754 29 A CB 0.088 19.044 19.000 -0.073 0.000 0.968 29 A HN 0.682 nan 8.150 nan 0.000 0.509 30 T N 1.281 115.741 114.554 -0.155 0.000 2.913 30 T HA 0.394 4.744 4.350 -0.000 0.000 0.287 30 T C 1.221 175.849 174.700 -0.119 0.000 1.008 30 T CA 0.126 62.130 62.100 -0.159 0.000 1.067 30 T CB 0.715 69.360 68.868 -0.370 0.000 0.996 30 T HN 0.584 nan 8.240 nan 0.000 0.513 31 S N 2.759 118.422 115.700 -0.062 0.000 2.505 31 S HA 0.156 4.626 4.470 -0.000 0.000 0.216 31 S C 0.567 175.155 174.600 -0.019 0.000 1.018 31 S CA -0.310 57.867 58.200 -0.039 0.000 0.911 31 S CB 0.053 63.242 63.200 -0.020 0.000 0.818 31 S HN 0.735 nan 8.310 nan 0.000 0.497 32 N N 2.198 120.899 118.700 0.002 0.000 2.776 32 N HA 0.355 5.095 4.740 -0.000 0.000 0.245 32 N C -3.364 172.199 175.510 0.089 0.000 1.121 32 N CA -2.014 51.063 53.050 0.045 0.000 0.852 32 N CB 0.845 39.374 38.487 0.071 0.000 1.142 32 N HN -0.083 nan 8.380 nan 0.000 0.514 33 P HA 0.111 nan 4.420 nan 0.000 0.264 33 P C -0.657 176.786 177.300 0.238 0.000 1.193 33 P CA 0.252 63.409 63.100 0.095 0.000 0.763 33 P CB 0.583 32.290 31.700 0.011 0.000 0.810 34 K N 1.592 122.263 120.400 0.452 0.000 2.350 34 K HA 0.331 4.651 4.320 -0.000 0.000 0.241 34 K C -0.522 176.250 176.600 0.286 0.000 0.994 34 K CA -0.668 55.800 56.287 0.303 0.000 0.839 34 K CB 1.470 34.153 32.500 0.305 0.000 1.244 34 K HN 0.567 nan 8.250 nan 0.000 0.443 35 H N 0.915 120.044 119.070 0.098 0.000 2.640 35 H HA 0.360 4.916 4.556 -0.000 0.000 0.297 35 H C -0.954 174.406 175.328 0.053 0.000 1.073 35 H CA -0.663 55.422 56.048 0.063 0.000 1.305 35 H CB 0.593 30.375 29.762 0.034 0.000 1.404 35 H HN 0.038 nan 8.280 nan 0.000 0.459 36 V N 6.586 126.599 119.914 0.165 0.000 2.459 36 V HA 0.175 4.295 4.120 -0.000 0.000 0.295 36 V C -0.109 175.959 176.094 -0.044 0.000 1.029 36 V CA -0.817 61.498 62.300 0.025 0.000 0.874 36 V CB 1.581 33.403 31.823 -0.001 0.000 0.985 36 V HN 0.480 nan 8.190 nan 0.000 0.438 37 V N 5.371 125.221 119.914 -0.107 0.000 2.427 37 V HA 0.462 4.582 4.120 -0.000 0.000 0.286 37 V C -0.141 175.916 176.094 -0.061 0.000 1.034 37 V CA -0.474 61.757 62.300 -0.115 0.000 0.893 37 V CB 1.940 33.671 31.823 -0.152 0.000 0.982 37 V HN 0.627 nan 8.190 nan 0.000 0.452 38 V N 5.554 125.434 119.914 -0.056 0.000 2.409 38 V HA 0.358 4.478 4.120 -0.000 0.000 0.291 38 V C -0.143 175.923 176.094 -0.046 0.000 1.020 38 V CA -0.634 61.644 62.300 -0.036 0.000 0.848 38 V CB 1.875 33.688 31.823 -0.016 0.000 0.990 38 V HN 0.604 nan 8.190 nan 0.000 0.430 39 V N 4.465 124.362 119.914 -0.028 0.000 2.353 39 V HA 0.798 4.918 4.120 -0.000 0.000 0.264 39 V C 0.717 176.809 176.094 -0.003 0.000 1.049 39 V CA 0.450 62.736 62.300 -0.023 0.000 0.896 39 V CB 0.424 32.249 31.823 0.003 0.000 1.025 39 V HN 1.278 nan 8.190 nan 0.000 0.475 40 G N 4.185 112.967 108.800 -0.030 0.000 3.367 40 G HA2 0.276 4.236 3.960 -0.000 0.000 0.686 40 G HA3 0.276 4.236 3.960 -0.000 0.000 0.686 40 G C -0.199 174.682 174.900 -0.030 0.000 1.146 40 G CA -0.350 44.734 45.100 -0.027 0.000 0.913 40 G HN 1.415 nan 8.290 nan 0.000 0.554 41 A N 1.764 124.551 122.820 -0.055 0.000 3.003 41 A HA 0.775 5.095 4.320 -0.000 0.000 0.301 41 A C 1.353 178.902 177.584 -0.059 0.000 1.280 41 A CA 1.086 53.095 52.037 -0.048 0.000 0.973 41 A CB -0.243 18.717 19.000 -0.066 0.000 1.110 41 A HN 2.067 nan 8.150 nan 0.000 0.590 42 G N -1.231 107.545 108.800 -0.040 0.000 2.510 42 G HA2 0.409 4.369 3.960 -0.000 0.000 0.280 42 G HA3 0.409 4.369 3.960 -0.000 0.000 0.280 42 G C 0.984 175.858 174.900 -0.044 0.000 1.386 42 G CA -0.447 44.629 45.100 -0.039 0.000 1.047 42 G HN 0.090 nan 8.290 nan 0.000 0.527 43 M N 0.459 120.030 119.600 -0.047 0.000 2.117 43 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 43 M C 2.865 179.130 176.300 -0.058 0.000 1.065 43 M CA 1.821 57.082 55.300 -0.064 0.000 1.114 43 M CB -1.437 31.128 32.600 -0.057 0.000 1.361 43 M HN 0.638 nan 8.290 nan 0.000 0.408 44 S N -0.214 115.471 115.700 -0.026 0.000 2.368 44 S HA -0.056 4.414 4.470 -0.000 0.000 0.224 44 S C 2.139 176.734 174.600 -0.007 0.000 1.029 44 S CA 1.335 59.526 58.200 -0.015 0.000 0.988 44 S CB -1.287 61.919 63.200 0.010 0.000 0.838 44 S HN 0.473 nan 8.310 nan 0.000 0.462 45 G N 1.927 110.727 108.800 0.001 0.000 2.404 45 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.215 45 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.215 45 G C 1.505 176.409 174.900 0.006 0.000 1.174 45 G CA 0.857 45.960 45.100 0.006 0.000 0.780 45 G HN 0.488 nan 8.290 nan 0.000 0.537 46 L N 0.697 121.913 121.223 -0.010 0.000 2.046 46 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 46 L C 3.214 180.085 176.870 0.002 0.000 1.077 46 L CA 1.169 56.007 54.840 -0.002 0.000 0.747 46 L CB -0.378 41.654 42.059 -0.046 0.000 0.896 46 L HN 0.186 nan 8.230 nan 0.000 0.432 47 S N -0.138 115.525 115.700 -0.062 0.000 2.356 47 S HA -0.179 4.291 4.470 -0.000 0.000 0.223 47 S C 2.171 176.807 174.600 0.059 0.000 1.032 47 S CA 1.272 59.423 58.200 -0.082 0.000 1.005 47 S CB -0.271 62.847 63.200 -0.136 0.000 0.867 47 S HN 0.506 nan 8.310 nan 0.000 0.449 48 A N 1.643 124.488 122.820 0.042 0.000 1.858 48 A HA 0.119 4.439 4.320 -0.000 0.000 0.216 48 A C 2.383 180.010 177.584 0.072 0.000 1.190 48 A CA 1.737 53.805 52.037 0.052 0.000 0.617 48 A CB -1.232 17.779 19.000 0.018 0.000 0.827 48 A HN 0.519 nan 8.150 nan 0.000 0.443 49 A N -1.724 121.139 122.820 0.072 0.000 1.940 49 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 49 A C 2.134 179.792 177.584 0.123 0.000 1.176 49 A CA 1.785 53.870 52.037 0.080 0.000 0.631 49 A CB -0.775 18.268 19.000 0.072 0.000 0.814 49 A HN 0.726 nan 8.150 nan 0.000 0.446 50 Y N 0.940 121.263 120.300 0.038 0.000 2.133 50 Y HA -0.184 4.366 4.550 -0.000 0.000 0.287 50 Y C 2.533 178.490 175.900 0.096 0.000 1.134 50 Y CA 2.334 60.479 58.100 0.074 0.000 1.133 50 Y CB -0.314 38.198 38.460 0.086 0.000 0.987 50 Y HN 0.198 nan 8.280 nan 0.000 0.502 51 V N -2.107 117.906 119.914 0.164 0.000 2.667 51 V HA -0.163 3.957 4.120 -0.000 0.000 0.252 51 V C 2.067 178.179 176.094 0.030 0.000 1.065 51 V CA 1.471 63.819 62.300 0.080 0.000 1.083 51 V CB -1.031 30.900 31.823 0.180 0.000 0.692 51 V HN 0.340 nan 8.190 nan 0.000 0.468 52 L N 0.777 122.034 121.223 0.058 0.000 2.093 52 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 52 L C 2.872 179.797 176.870 0.091 0.000 1.085 52 L CA 2.204 57.106 54.840 0.103 0.000 0.755 52 L CB -0.826 41.272 42.059 0.065 0.000 0.904 52 L HN 0.462 nan 8.230 nan 0.000 0.435 53 S N -0.933 114.771 115.700 0.008 0.000 2.371 53 S HA -0.096 4.374 4.470 -0.000 0.000 0.224 53 S C 2.035 176.580 174.600 -0.092 0.000 1.029 53 S CA 1.095 59.277 58.200 -0.030 0.000 0.978 53 S CB -0.487 62.682 63.200 -0.053 0.000 0.833 53 S HN 0.536 nan 8.310 nan 0.000 0.466 54 G N 0.291 108.989 108.800 -0.170 0.000 2.470 54 G HA2 0.029 3.989 3.960 -0.000 0.000 0.220 54 G HA3 0.029 3.989 3.960 -0.000 0.000 0.220 54 G C 1.321 176.154 174.900 -0.111 0.000 1.121 54 G CA 0.777 45.772 45.100 -0.175 0.000 0.766 54 G HN 0.626 nan 8.290 nan 0.000 0.553 55 A N -0.669 122.102 122.820 -0.083 0.000 2.251 55 A HA 0.489 4.809 4.320 -0.000 0.000 0.209 55 A C 1.966 179.431 177.584 -0.200 0.000 1.187 55 A CA 1.300 53.274 52.037 -0.105 0.000 0.823 55 A CB -0.239 18.733 19.000 -0.046 0.000 0.846 55 A HN 1.487 nan 8.150 nan 0.000 0.486 56 G N -1.779 106.922 108.800 -0.165 0.000 2.201 56 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.212 56 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.212 56 G C 0.151 174.944 174.900 -0.179 0.000 0.994 56 G CA 0.096 45.086 45.100 -0.184 0.000 0.644 56 G HN 0.605 nan 8.290 nan 0.000 0.508 57 H N 0.517 119.580 119.070 -0.011 0.000 2.607 57 H HA 0.380 4.936 4.556 -0.000 0.000 0.367 57 H C 0.363 175.701 175.328 0.017 0.000 1.181 57 H CA 0.322 56.379 56.048 0.014 0.000 1.402 57 H CB 0.782 30.559 29.762 0.025 0.000 1.474 57 H HN 0.324 nan 8.280 nan 0.000 0.596 58 Q N 2.110 122.022 119.800 0.186 0.000 2.349 58 Q HA 0.320 4.660 4.340 -0.000 0.000 0.254 58 Q C -0.855 175.266 176.000 0.203 0.000 0.980 58 Q CA -0.697 55.164 55.803 0.096 0.000 0.924 58 Q CB 0.530 29.239 28.738 -0.049 0.000 1.209 58 Q HN 0.470 nan 8.270 nan 0.000 0.445 59 V N 1.345 121.342 119.914 0.139 0.000 2.513 59 V HA 0.706 4.826 4.120 -0.000 0.000 0.299 59 V C -0.448 175.709 176.094 0.105 0.000 1.035 59 V CA -0.442 61.937 62.300 0.133 0.000 0.889 59 V CB 1.953 33.822 31.823 0.077 0.000 0.988 59 V HN 0.614 nan 8.190 nan 0.000 0.440 60 T N 4.380 118.978 114.554 0.073 0.000 2.815 60 T HA 0.567 4.917 4.350 -0.000 0.000 0.289 60 T C -0.472 174.160 174.700 -0.113 0.000 1.000 60 T CA -0.308 61.767 62.100 -0.041 0.000 0.958 60 T CB 1.341 70.191 68.868 -0.030 0.000 0.944 60 T HN 0.725 nan 8.240 nan 0.000 0.442 61 V N 5.562 125.397 119.914 -0.131 0.000 2.370 61 V HA 0.444 4.564 4.120 -0.000 0.000 0.279 61 V C -0.159 175.838 176.094 -0.162 0.000 1.029 61 V CA -0.772 61.469 62.300 -0.097 0.000 0.870 61 V CB 1.073 32.889 31.823 -0.011 0.000 0.984 61 V HN 0.731 nan 8.190 nan 0.000 0.451 62 L N 4.556 125.674 121.223 -0.176 0.000 2.280 62 L HA 0.622 4.962 4.340 -0.000 0.000 0.287 62 L C -0.193 176.587 176.870 -0.149 0.000 1.023 62 L CA -0.375 54.327 54.840 -0.231 0.000 0.819 62 L CB 1.558 43.426 42.059 -0.318 0.000 1.212 62 L HN 0.644 nan 8.230 nan 0.000 0.420 63 E N 2.363 122.481 120.200 -0.136 0.000 2.176 63 E HA 0.498 4.848 4.350 -0.000 0.000 0.267 63 E C 0.261 176.761 176.600 -0.166 0.000 0.893 63 E CA -0.335 55.981 56.400 -0.140 0.000 0.761 63 E CB 2.071 31.691 29.700 -0.133 0.000 1.133 63 E HN 0.562 nan 8.360 nan 0.000 0.409 64 A N 3.588 126.285 122.820 -0.205 0.000 1.930 64 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 64 A C 1.265 178.660 177.584 -0.314 0.000 1.175 64 A CA 1.368 53.284 52.037 -0.203 0.000 0.627 64 A CB -0.644 18.266 19.000 -0.149 0.000 0.815 64 A HN 0.689 nan 8.150 nan 0.000 0.443 65 S N -0.102 115.262 115.700 -0.560 0.000 2.671 65 S HA 0.279 4.749 4.470 -0.000 0.000 0.272 65 S C 0.462 174.941 174.600 -0.202 0.000 1.174 65 S CA 0.164 58.089 58.200 -0.457 0.000 1.004 65 S CB 0.547 63.386 63.200 -0.601 0.000 1.077 65 S HN 0.517 nan 8.310 nan 0.000 0.553 66 E N -0.478 119.650 120.200 -0.121 0.000 2.394 66 E HA 0.342 4.692 4.350 -0.000 0.000 0.191 66 E C 0.235 176.751 176.600 -0.139 0.000 1.044 66 E CA -0.482 55.861 56.400 -0.096 0.000 0.939 66 E CB 0.007 29.679 29.700 -0.047 0.000 1.089 66 E HN 0.526 nan 8.360 nan 0.000 0.456 67 R N 0.141 120.527 120.500 -0.189 0.000 2.634 67 R HA 0.544 4.884 4.340 -0.000 0.000 0.263 67 R C -1.622 174.508 176.300 -0.284 0.000 1.060 67 R CA -0.420 55.533 56.100 -0.246 0.000 0.898 67 R CB 1.743 31.939 30.300 -0.173 0.000 1.253 67 R HN 0.151 nan 8.270 nan 0.000 0.461 68 A N 0.813 123.387 122.820 -0.410 0.000 2.304 68 A HA 0.645 4.965 4.320 -0.000 0.000 0.271 68 A C 0.998 178.459 177.584 -0.205 0.000 1.091 68 A CA 0.594 52.430 52.037 -0.335 0.000 0.812 68 A CB 0.729 19.438 19.000 -0.485 0.000 1.056 68 A HN 1.199 nan 8.150 nan 0.000 0.489 69 G N -0.631 108.088 108.800 -0.135 0.000 2.391 69 G HA2 0.248 4.208 3.960 -0.000 0.000 0.204 69 G HA3 0.248 4.208 3.960 -0.000 0.000 0.204 69 G C 1.764 176.632 174.900 -0.054 0.000 1.012 69 G CA 0.829 45.875 45.100 -0.090 0.000 0.651 69 G HN 2.789 nan 8.290 nan 0.000 0.494 70 G N 0.573 109.348 108.800 -0.041 0.000 2.622 70 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.307 70 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.307 70 G C 0.828 175.761 174.900 0.055 0.000 1.226 70 G CA 1.468 46.571 45.100 0.005 0.000 0.997 70 G HN 1.246 nan 8.290 nan 0.000 0.551 71 R N -0.288 120.184 120.500 -0.045 0.000 2.357 71 R HA 0.262 4.602 4.340 -0.000 0.000 0.202 71 R C 0.761 176.930 176.300 -0.218 0.000 1.047 71 R CA 0.638 56.569 56.100 -0.283 0.000 1.034 71 R CB -0.056 29.934 30.300 -0.516 0.000 0.875 71 R HN 0.262 nan 8.270 nan 0.000 0.473 72 V N 1.495 121.365 119.914 -0.073 0.000 2.320 72 V HA 0.280 4.400 4.120 -0.000 0.000 0.265 72 V C 0.015 176.130 176.094 0.036 0.000 1.048 72 V CA -0.379 61.898 62.300 -0.038 0.000 0.865 72 V CB 0.792 32.585 31.823 -0.050 0.000 1.043 72 V HN 0.141 nan 8.190 nan 0.000 0.474 73 R N 2.848 123.420 120.500 0.120 0.000 2.673 73 R HA 0.708 5.048 4.340 -0.000 0.000 0.281 73 R C -1.111 175.266 176.300 0.129 0.000 0.991 73 R CA -0.391 55.796 56.100 0.145 0.000 0.896 73 R CB 2.329 32.794 30.300 0.274 0.000 1.201 73 R HN 0.617 nan 8.270 nan 0.000 0.457 74 T N 2.959 117.552 114.554 0.065 0.000 2.879 74 T HA 0.214 4.564 4.350 -0.000 0.000 0.290 74 T C -1.595 173.129 174.700 0.040 0.000 0.993 74 T CA -0.463 61.675 62.100 0.063 0.000 0.975 74 T CB 0.805 69.655 68.868 -0.030 0.000 0.981 74 T HN 0.442 nan 8.240 nan 0.000 0.439 75 Y N 3.538 123.809 120.300 -0.048 0.000 2.308 75 Y HA 0.628 5.178 4.550 -0.000 0.000 0.329 75 Y C 0.033 175.835 175.900 -0.163 0.000 1.111 75 Y CA -0.786 57.235 58.100 -0.131 0.000 1.179 75 Y CB 0.692 39.032 38.460 -0.201 0.000 1.201 75 Y HN 0.493 nan 8.280 nan 0.000 0.483 76 R N 4.444 124.240 120.500 -1.173 0.000 2.621 76 R HA 0.274 4.614 4.340 -0.000 0.000 0.292 76 R C -1.281 174.259 176.300 -1.266 0.000 0.969 76 R CA -1.066 54.458 56.100 -0.960 0.000 0.887 76 R CB 1.464 31.477 30.300 -0.478 0.000 1.180 76 R HN 0.630 nan 8.270 nan 0.000 0.450 77 N N 2.571 120.583 118.700 -1.147 0.000 2.621 77 N HA 0.057 4.797 4.740 -0.000 0.000 0.237 77 N C -0.370 174.810 175.510 -0.549 0.000 0.997 77 N CA -0.112 52.406 53.050 -0.887 0.000 0.918 77 N CB 1.010 38.765 38.487 -1.220 0.000 1.122 77 N HN 0.557 nan 8.380 nan 0.000 0.510 78 D N 2.359 122.551 120.400 -0.346 0.000 2.097 78 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 78 D C 1.224 177.448 176.300 -0.127 0.000 0.989 78 D CA 1.328 55.206 54.000 -0.204 0.000 0.827 78 D CB 0.498 41.207 40.800 -0.151 0.000 0.966 78 D HN 0.407 nan 8.370 nan 0.000 0.456 79 K N 0.942 121.281 120.400 -0.101 0.000 2.074 79 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 79 K C 1.928 178.530 176.600 0.004 0.000 1.048 79 K CA 1.191 57.458 56.287 -0.034 0.000 0.926 79 K CB -0.050 32.443 32.500 -0.013 0.000 0.713 79 K HN 0.193 nan 8.250 nan 0.000 0.444 80 E N -0.700 119.508 120.200 0.012 0.000 2.400 80 E HA -0.023 4.327 4.350 -0.000 0.000 0.195 80 E C -0.597 176.077 176.600 0.123 0.000 1.012 80 E CA 0.375 56.861 56.400 0.142 0.000 0.875 80 E CB 0.334 30.272 29.700 0.397 0.000 0.859 80 E HN 0.283 nan 8.360 nan 0.000 0.498 81 D N 0.247 120.612 120.400 -0.059 0.000 3.026 81 D HA -0.144 4.496 4.640 -0.000 0.000 0.248 81 D C -1.268 174.950 176.300 -0.138 0.000 1.100 81 D CA 0.675 54.637 54.000 -0.063 0.000 0.855 81 D CB -0.849 39.985 40.800 0.057 0.000 1.011 81 D HN 0.364 nan 8.370 nan 0.000 0.423 82 W N 1.067 122.116 121.300 -0.418 0.000 3.066 82 W HA 0.602 5.262 4.660 -0.000 0.000 0.330 82 W C -1.433 174.829 176.519 -0.429 0.000 1.253 82 W CA -1.140 55.588 57.345 -1.029 0.000 1.187 82 W CB 0.208 29.072 29.460 -0.993 0.000 1.434 82 W HN 0.100 nan 8.180 nan 0.000 0.572 83 Y N 0.033 120.345 120.300 0.022 0.000 2.609 83 Y HA 0.888 5.438 4.550 -0.000 0.000 0.342 83 Y C -1.425 174.766 175.900 0.484 0.000 1.058 83 Y CA -1.947 56.234 58.100 0.135 0.000 1.055 83 Y CB 1.370 39.899 38.460 0.115 0.000 1.292 83 Y HN 0.807 nan 8.280 nan 0.000 0.476 84 A N 2.361 125.528 122.820 0.578 0.000 2.427 84 A HA 0.521 4.841 4.320 -0.000 0.000 0.298 84 A C -1.689 176.099 177.584 0.339 0.000 1.036 84 A CA -1.062 51.212 52.037 0.394 0.000 0.701 84 A CB 0.888 19.827 19.000 -0.102 0.000 1.250 84 A HN 0.740 nan 8.150 nan 0.000 0.412 85 N N 2.657 121.627 118.700 0.449 0.000 2.411 85 N HA 0.234 4.974 4.740 -0.000 0.000 0.259 85 N C 0.964 176.693 175.510 0.367 0.000 1.103 85 N CA -0.142 53.112 53.050 0.340 0.000 0.954 85 N CB 1.276 39.947 38.487 0.307 0.000 1.085 85 N HN 0.653 nan 8.380 nan 0.000 0.485 86 L N 0.628 122.038 121.223 0.312 0.000 2.240 86 L HA 0.088 4.428 4.340 -0.000 0.000 0.211 86 L C 1.740 178.959 176.870 0.581 0.000 1.106 86 L CA 0.699 55.799 54.840 0.432 0.000 0.793 86 L CB -0.123 42.118 42.059 0.303 0.000 0.927 86 L HN 0.503 nan 8.230 nan 0.000 0.446 87 G N -0.571 108.448 108.800 0.365 0.000 3.110 87 G HA2 0.289 4.249 3.960 -0.000 0.000 0.207 87 G HA3 0.289 4.249 3.960 -0.000 0.000 0.207 87 G C -2.384 172.470 174.900 -0.076 0.000 1.841 87 G CA -0.261 44.888 45.100 0.082 0.000 0.751 87 G HN -0.020 nan 8.290 nan 0.000 0.771 88 P HA 0.204 nan 4.420 nan 0.000 0.266 88 P C 0.234 177.487 177.300 -0.078 0.000 1.195 88 P CA 0.817 63.844 63.100 -0.121 0.000 0.768 88 P CB 0.730 32.383 31.700 -0.078 0.000 0.838 89 M N 1.156 120.663 119.600 -0.154 0.000 2.139 89 M HA 0.272 4.752 4.480 -0.000 0.000 0.343 89 M C 0.075 176.163 176.300 -0.352 0.000 0.886 89 M CA -0.045 55.159 55.300 -0.159 0.000 1.134 89 M CB 0.705 33.183 32.600 -0.202 0.000 2.064 89 M HN 0.063 nan 8.290 nan 0.000 0.699 90 R N 1.161 121.455 120.500 -0.343 0.000 2.725 90 R HA 0.864 5.204 4.340 -0.000 0.000 0.277 90 R C -1.739 174.636 176.300 0.124 0.000 0.987 90 R CA -0.828 55.103 56.100 -0.283 0.000 0.901 90 R CB 2.004 31.931 30.300 -0.622 0.000 1.207 90 R HN 0.185 nan 8.270 nan 0.000 0.463 91 L N 1.818 123.159 121.223 0.197 0.000 2.381 91 L HA 0.526 4.866 4.340 -0.000 0.000 0.274 91 L C -2.498 174.359 176.870 -0.022 0.000 0.988 91 L CA -2.494 52.453 54.840 0.178 0.000 0.824 91 L CB 2.622 44.758 42.059 0.128 0.000 1.263 91 L HN 0.394 nan 8.230 nan 0.000 0.410 92 P HA 0.084 nan 4.420 nan 0.000 0.274 92 P C 0.296 177.246 177.300 -0.583 0.000 1.237 92 P CA -0.349 62.183 63.100 -0.946 0.000 0.793 92 P CB 1.007 31.883 31.700 -1.372 0.000 0.977 93 E N 2.339 122.207 120.200 -0.553 0.000 2.072 93 E HA -0.231 4.119 4.350 -0.000 0.000 0.191 93 E C 1.429 177.897 176.600 -0.221 0.000 0.985 93 E CA 1.295 57.524 56.400 -0.286 0.000 0.801 93 E CB -0.128 29.433 29.700 -0.232 0.000 0.750 93 E HN 0.391 nan 8.360 nan 0.000 0.452 94 K N -0.267 119.950 120.400 -0.305 0.000 2.442 94 K HA -0.135 4.185 4.320 -0.000 0.000 0.199 94 K C 0.160 176.736 176.600 -0.041 0.000 1.044 94 K CA 1.231 57.402 56.287 -0.193 0.000 0.941 94 K CB -0.442 31.903 32.500 -0.259 0.000 0.759 94 K HN 0.270 nan 8.250 nan 0.000 0.472 95 H N 1.482 120.445 119.070 -0.178 0.000 3.118 95 H HA 0.205 4.761 4.556 -0.000 0.000 0.266 95 H C 0.554 175.916 175.328 0.057 0.000 1.465 95 H CA -0.811 55.197 56.048 -0.066 0.000 1.460 95 H CB 0.536 30.226 29.762 -0.119 0.000 1.661 95 H HN 0.195 nan 8.280 nan 0.000 0.516 96 R N 2.153 122.822 120.500 0.281 0.000 2.115 96 R HA -0.076 4.264 4.340 -0.000 0.000 0.226 96 R C 1.738 178.089 176.300 0.085 0.000 1.100 96 R CA 0.746 56.942 56.100 0.161 0.000 0.980 96 R CB 0.084 30.478 30.300 0.156 0.000 0.875 96 R HN 0.582 nan 8.270 nan 0.000 0.445 97 I N 0.919 121.547 120.570 0.096 0.000 2.226 97 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 97 I C 2.321 178.528 176.117 0.149 0.000 1.100 97 I CA 1.261 62.585 61.300 0.041 0.000 1.374 97 I CB -0.371 37.654 38.000 0.040 0.000 1.057 97 I HN -0.090 nan 8.210 nan 0.000 0.413 98 V N 0.585 120.605 119.914 0.176 0.000 2.307 98 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 98 V C 2.581 178.775 176.094 0.166 0.000 1.045 98 V CA 1.489 63.912 62.300 0.205 0.000 1.024 98 V CB -0.942 30.981 31.823 0.167 0.000 0.651 98 V HN 0.347 nan 8.190 nan 0.000 0.449 99 R N 0.370 120.937 120.500 0.112 0.000 2.112 99 R HA -0.264 4.076 4.340 -0.000 0.000 0.242 99 R C 2.311 178.628 176.300 0.029 0.000 1.137 99 R CA 2.155 58.295 56.100 0.067 0.000 0.944 99 R CB -0.747 29.579 30.300 0.044 0.000 0.857 99 R HN 0.618 nan 8.270 nan 0.000 0.435 100 E N 0.398 120.582 120.200 -0.026 0.000 2.049 100 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 100 E C 1.877 178.364 176.600 -0.189 0.000 1.007 100 E CA 1.609 57.919 56.400 -0.150 0.000 0.809 100 E CB -0.499 29.041 29.700 -0.266 0.000 0.749 100 E HN 0.382 nan 8.360 nan 0.000 0.450 101 Y N 0.083 120.371 120.300 -0.020 0.000 2.403 101 Y HA -0.050 4.500 4.550 -0.000 0.000 0.291 101 Y C 2.196 178.148 175.900 0.087 0.000 1.143 101 Y CA 1.082 59.173 58.100 -0.015 0.000 1.257 101 Y CB -0.179 38.338 38.460 0.094 0.000 0.984 101 Y HN 0.120 nan 8.280 nan 0.000 0.550 102 I N -0.786 119.905 120.570 0.202 0.000 2.286 102 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 102 I C 2.379 178.556 176.117 0.099 0.000 1.104 102 I CA 1.131 62.536 61.300 0.175 0.000 1.397 102 I CB -0.311 37.761 38.000 0.120 0.000 1.072 102 I HN 0.110 nan 8.210 nan 0.000 0.417 103 R N 0.948 121.459 120.500 0.020 0.000 2.070 103 R HA -0.201 4.139 4.340 -0.000 0.000 0.233 103 R C 2.359 178.617 176.300 -0.071 0.000 1.137 103 R CA 1.503 57.589 56.100 -0.023 0.000 0.945 103 R CB -0.370 29.898 30.300 -0.052 0.000 0.845 103 R HN 0.225 nan 8.270 nan 0.000 0.430 104 K N 0.131 120.422 120.400 -0.182 0.000 2.127 104 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 104 K C 1.096 177.463 176.600 -0.387 0.000 1.047 104 K CA 1.599 57.678 56.287 -0.346 0.000 0.927 104 K CB -0.047 32.113 32.500 -0.567 0.000 0.716 104 K HN 0.065 nan 8.250 nan 0.000 0.450 105 F N 0.144 120.108 119.950 0.024 0.000 2.693 105 F HA 0.276 4.803 4.527 -0.000 0.000 0.303 105 F C 1.128 176.936 175.800 0.014 0.000 1.097 105 F CA 0.309 58.321 58.000 0.019 0.000 1.330 105 F CB 0.484 39.490 39.000 0.009 0.000 1.067 105 F HN 0.214 nan 8.300 nan 0.000 0.565 106 G N 1.748 110.619 108.800 0.118 0.000 2.338 106 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.296 106 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.296 106 G C -0.090 174.864 174.900 0.089 0.000 1.040 106 G CA -0.079 45.070 45.100 0.082 0.000 1.004 106 G HN 0.315 nan 8.290 nan 0.000 0.509 107 L N -0.769 120.514 121.223 0.101 0.000 2.334 107 L HA 0.518 4.858 4.340 -0.000 0.000 0.275 107 L C 0.818 177.723 176.870 0.059 0.000 1.036 107 L CA -0.909 53.977 54.840 0.077 0.000 0.807 107 L CB 1.406 43.517 42.059 0.087 0.000 1.231 107 L HN 0.287 nan 8.230 nan 0.000 0.438 108 Q N 2.234 122.061 119.800 0.045 0.000 2.214 108 Q HA 0.639 4.979 4.340 -0.000 0.000 0.251 108 Q C -1.126 174.905 176.000 0.052 0.000 0.936 108 Q CA -0.674 55.156 55.803 0.045 0.000 0.894 108 Q CB 2.427 31.188 28.738 0.039 0.000 1.252 108 Q HN 0.441 nan 8.270 nan 0.000 0.448 109 L N 1.380 122.638 121.223 0.058 0.000 2.330 109 L HA 0.566 4.906 4.340 -0.000 0.000 0.271 109 L C -0.579 176.343 176.870 0.086 0.000 1.013 109 L CA -0.961 53.924 54.840 0.076 0.000 0.816 109 L CB 1.716 43.820 42.059 0.075 0.000 1.287 109 L HN 0.621 nan 8.230 nan 0.000 0.435 110 N N 0.429 119.201 118.700 0.119 0.000 2.260 110 N HA 0.156 4.896 4.740 -0.000 0.000 0.293 110 N C -0.994 174.627 175.510 0.185 0.000 1.058 110 N CA -0.622 52.509 53.050 0.135 0.000 0.824 110 N CB 2.083 40.655 38.487 0.142 0.000 1.551 110 N HN 0.593 nan 8.380 nan 0.000 0.475 111 E N 2.321 122.621 120.200 0.167 0.000 2.413 111 E HA 0.070 4.420 4.350 -0.000 0.000 0.263 111 E C -1.175 175.594 176.600 0.281 0.000 1.015 111 E CA 0.027 56.552 56.400 0.208 0.000 0.916 111 E CB 0.412 30.203 29.700 0.151 0.000 0.947 111 E HN 0.443 nan 8.360 nan 0.000 0.440 112 F N 3.355 123.418 119.950 0.188 0.000 2.426 112 F HA 0.311 4.838 4.527 -0.000 0.000 0.348 112 F C -0.797 175.110 175.800 0.177 0.000 1.124 112 F CA -0.602 57.511 58.000 0.189 0.000 1.008 112 F CB 1.423 40.547 39.000 0.207 0.000 1.139 112 F HN 0.241 nan 8.300 nan 0.000 0.452 113 S N 5.935 121.574 115.700 -0.102 0.000 2.465 113 S HA 0.124 4.594 4.470 -0.000 0.000 0.279 113 S C 0.863 175.462 174.600 -0.002 0.000 1.201 113 S CA -0.664 57.536 58.200 0.001 0.000 1.053 113 S CB 1.388 64.572 63.200 -0.027 0.000 0.953 113 S HN 0.683 nan 8.310 nan 0.000 0.488 114 Q N 1.856 121.732 119.800 0.127 0.000 2.230 114 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 114 Q C 0.606 176.635 176.000 0.048 0.000 0.963 114 Q CA 1.037 56.907 55.803 0.111 0.000 0.866 114 Q CB 0.120 28.905 28.738 0.078 0.000 0.931 114 Q HN 0.922 nan 8.270 nan 0.000 0.452 115 E N -0.757 119.463 120.200 0.035 0.000 2.449 115 E HA 0.565 4.915 4.350 -0.000 0.000 0.278 115 E C -1.267 175.333 176.600 -0.001 0.000 0.992 115 E CA -0.959 55.445 56.400 0.007 0.000 0.807 115 E CB 1.440 31.155 29.700 0.024 0.000 1.350 115 E HN -0.066 nan 8.360 nan 0.000 0.462 116 N N 0.094 118.779 118.700 -0.024 0.000 2.648 116 N HA 0.106 4.846 4.740 -0.000 0.000 0.272 116 N C -0.734 174.730 175.510 -0.077 0.000 1.118 116 N CA -0.332 52.694 53.050 -0.042 0.000 0.973 116 N CB 1.359 39.810 38.487 -0.059 0.000 1.565 116 N HN 0.505 nan 8.380 nan 0.000 0.542 117 D N 1.351 121.714 120.400 -0.063 0.000 2.228 117 D HA -0.151 4.489 4.640 -0.000 0.000 0.203 117 D C 0.536 176.729 176.300 -0.177 0.000 0.988 117 D CA 1.148 55.098 54.000 -0.083 0.000 0.864 117 D CB 0.113 40.879 40.800 -0.058 0.000 0.928 117 D HN 0.560 nan 8.370 nan 0.000 0.469 118 N N 0.325 118.895 118.700 -0.216 0.000 2.398 118 N HA 0.088 4.828 4.740 -0.000 0.000 0.188 118 N C 0.598 175.794 175.510 -0.524 0.000 1.122 118 N CA 0.004 52.844 53.050 -0.350 0.000 0.866 118 N CB 0.425 38.759 38.487 -0.254 0.000 0.970 118 N HN 0.090 nan 8.380 nan 0.000 0.462 119 A N 0.194 122.782 122.820 -0.386 0.000 2.267 119 A HA 0.485 4.805 4.320 -0.000 0.000 0.271 119 A C -0.438 176.876 177.584 -0.450 0.000 1.131 119 A CA -0.171 51.671 52.037 -0.326 0.000 0.818 119 A CB 0.324 19.257 19.000 -0.111 0.000 1.118 119 A HN 0.222 nan 8.150 nan 0.000 0.501 120 W N -2.637 118.601 121.300 -0.103 0.000 2.762 120 W HA 0.631 5.291 4.660 -0.000 0.000 0.355 120 W C -1.278 175.155 176.519 -0.143 0.000 1.124 120 W CA -0.025 57.277 57.345 -0.072 0.000 1.141 120 W CB 1.052 30.460 29.460 -0.087 0.000 1.432 120 W HN 0.504 nan 8.180 nan 0.000 0.586 121 Y N 1.301 121.826 120.300 0.374 0.000 2.361 121 Y HA 0.406 4.956 4.550 -0.000 0.000 0.337 121 Y C -1.028 175.051 175.900 0.298 0.000 0.965 121 Y CA -1.219 57.026 58.100 0.241 0.000 1.091 121 Y CB 1.370 39.925 38.460 0.159 0.000 1.182 121 Y HN 0.214 nan 8.280 nan 0.000 0.450 122 F N 6.160 126.221 119.950 0.184 0.000 2.686 122 F HA 0.568 5.095 4.527 -0.000 0.000 0.365 122 F C -1.668 174.162 175.800 0.050 0.000 1.196 122 F CA -0.872 57.174 58.000 0.077 0.000 1.198 122 F CB 0.167 39.159 39.000 -0.014 0.000 1.454 122 F HN 0.196 nan 8.300 nan 0.000 0.539 123 I N 4.433 124.907 120.570 -0.160 0.000 2.474 123 I HA 0.276 4.446 4.170 -0.000 0.000 0.294 123 I C 0.397 176.326 176.117 -0.313 0.000 1.005 123 I CA -0.983 60.225 61.300 -0.154 0.000 1.113 123 I CB 1.799 39.804 38.000 0.007 0.000 1.289 123 I HN 0.445 nan 8.210 nan 0.000 0.436 124 K N 4.177 124.408 120.400 -0.282 0.000 3.003 124 K HA -0.284 4.036 4.320 -0.000 0.000 0.257 124 K C -0.013 176.381 176.600 -0.344 0.000 0.958 124 K CA 1.006 57.128 56.287 -0.276 0.000 0.707 124 K CB -1.447 30.895 32.500 -0.262 0.000 1.279 124 K HN 0.822 nan 8.250 nan 0.000 0.479 125 N N -1.485 116.873 118.700 -0.570 0.000 2.828 125 N HA -0.189 4.551 4.740 -0.000 0.000 0.248 125 N C -0.467 174.731 175.510 -0.521 0.000 1.044 125 N CA 1.338 54.005 53.050 -0.638 0.000 0.851 125 N CB -0.760 37.564 38.487 -0.272 0.000 1.136 125 N HN 0.445 nan 8.380 nan 0.000 0.572 126 I N 0.616 120.899 120.570 -0.479 0.000 2.353 126 I HA 0.255 4.425 4.170 -0.000 0.000 0.293 126 I C 0.601 176.627 176.117 -0.151 0.000 0.992 126 I CA -0.498 60.666 61.300 -0.228 0.000 1.268 126 I CB 1.602 39.513 38.000 -0.148 0.000 1.387 126 I HN 0.067 nan 8.210 nan 0.000 0.478 127 R N 6.903 127.438 120.500 0.058 0.000 2.358 127 R HA 0.390 4.730 4.340 -0.000 0.000 0.309 127 R C -1.271 175.257 176.300 0.381 0.000 1.026 127 R CA -0.608 55.663 56.100 0.286 0.000 0.909 127 R CB 0.606 31.074 30.300 0.279 0.000 1.153 127 R HN 0.509 nan 8.270 nan 0.000 0.515 128 K N 3.305 123.970 120.400 0.442 0.000 2.385 128 K HA 0.474 4.794 4.320 -0.000 0.000 0.248 128 K C -0.380 176.422 176.600 0.338 0.000 0.955 128 K CA -1.168 55.330 56.287 0.352 0.000 0.816 128 K CB 1.884 34.491 32.500 0.178 0.000 1.250 128 K HN 0.368 nan 8.250 nan 0.000 0.434 129 R N 0.739 121.243 120.500 0.007 0.000 2.679 129 R HA 0.083 4.423 4.340 -0.000 0.000 0.269 129 R C 1.470 177.765 176.300 -0.008 0.000 1.076 129 R CA -0.177 55.731 56.100 -0.319 0.000 1.160 129 R CB 0.217 30.268 30.300 -0.416 0.000 1.054 129 R HN 0.376 nan 8.270 nan 0.000 0.507 130 V N 1.835 121.733 119.914 -0.027 0.000 2.255 130 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 130 V C 2.399 178.551 176.094 0.097 0.000 1.051 130 V CA 2.460 64.867 62.300 0.178 0.000 1.018 130 V CB -0.999 30.844 31.823 0.033 0.000 0.641 130 V HN 1.039 nan 8.190 nan 0.000 0.445 131 G N -0.382 108.411 108.800 -0.012 0.000 2.513 131 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.219 131 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.219 131 G C 1.425 176.321 174.900 -0.006 0.000 1.160 131 G CA 1.214 46.304 45.100 -0.015 0.000 0.767 131 G HN 0.608 nan 8.290 nan 0.000 0.571 132 E N -0.094 120.097 120.200 -0.014 0.000 2.058 132 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 132 E C 2.724 179.317 176.600 -0.012 0.000 0.997 132 E CA 1.237 57.632 56.400 -0.008 0.000 0.801 132 E CB -0.262 29.439 29.700 0.002 0.000 0.746 132 E HN 0.325 nan 8.360 nan 0.000 0.450 133 V N 1.706 121.610 119.914 -0.017 0.000 2.594 133 V HA -0.261 3.859 4.120 -0.000 0.000 0.253 133 V C 2.091 178.141 176.094 -0.073 0.000 1.069 133 V CA 1.659 63.897 62.300 -0.103 0.000 1.082 133 V CB -0.492 31.132 31.823 -0.333 0.000 0.680 133 V HN 0.201 nan 8.190 nan 0.000 0.469 134 K N 1.068 121.459 120.400 -0.014 0.000 2.002 134 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 134 K C 2.076 178.670 176.600 -0.009 0.000 1.048 134 K CA 1.732 58.019 56.287 -0.000 0.000 0.930 134 K CB -0.249 32.264 32.500 0.021 0.000 0.714 134 K HN 0.595 nan 8.250 nan 0.000 0.438 135 K N 0.517 120.913 120.400 -0.007 0.000 2.555 135 K HA -0.050 4.270 4.320 -0.000 0.000 0.193 135 K C -0.288 176.306 176.600 -0.009 0.000 1.032 135 K CA 0.959 57.242 56.287 -0.006 0.000 1.004 135 K CB 0.180 32.678 32.500 -0.004 0.000 0.804 135 K HN -0.038 nan 8.250 nan 0.000 0.496 136 D N -0.151 120.239 120.400 -0.018 0.000 2.668 136 D HA 0.179 4.819 4.640 -0.000 0.000 0.234 136 D C -2.479 173.803 176.300 -0.030 0.000 1.349 136 D CA -1.445 52.544 54.000 -0.017 0.000 0.889 136 D CB 1.454 42.247 40.800 -0.011 0.000 1.520 136 D HN -0.232 nan 8.370 nan 0.000 0.521 137 P HA 0.020 nan 4.420 nan 0.000 0.226 137 P C 1.432 178.730 177.300 -0.004 0.000 1.146 137 P CA 0.882 63.958 63.100 -0.040 0.000 0.773 137 P CB 0.336 32.017 31.700 -0.031 0.000 0.772 138 G N 0.102 108.902 108.800 0.000 0.000 2.484 138 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 138 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 138 G C 1.521 176.421 174.900 0.000 0.000 1.130 138 G CA 0.711 45.818 45.100 0.012 0.000 0.784 138 G HN 0.338 nan 8.290 nan 0.000 0.543 139 V N -0.800 119.106 119.914 -0.014 0.000 2.568 139 V HA -0.036 4.084 4.120 -0.000 0.000 0.253 139 V C 2.420 178.493 176.094 -0.035 0.000 1.072 139 V CA 1.349 63.636 62.300 -0.021 0.000 1.084 139 V CB -0.478 31.334 31.823 -0.019 0.000 0.676 139 V HN 0.330 nan 8.190 nan 0.000 0.469 140 L N -0.453 120.757 121.223 -0.022 0.000 2.554 140 L HA 0.168 4.508 4.340 -0.000 0.000 0.226 140 L C 1.294 178.075 176.870 -0.148 0.000 1.137 140 L CA 0.383 55.199 54.840 -0.041 0.000 0.863 140 L CB -0.610 41.520 42.059 0.119 0.000 0.985 140 L HN 0.384 nan 8.230 nan 0.000 0.451 141 K N -0.365 119.996 120.400 -0.065 0.000 3.077 141 K HA -0.232 4.088 4.320 -0.000 0.000 0.264 141 K C -0.793 175.728 176.600 -0.132 0.000 1.008 141 K CA 0.508 56.741 56.287 -0.089 0.000 0.740 141 K CB -2.062 30.366 32.500 -0.120 0.000 1.273 141 K HN 0.186 nan 8.250 nan 0.000 0.477 142 Y N 0.472 120.754 120.300 -0.031 0.000 2.346 142 Y HA 0.144 4.694 4.550 -0.000 0.000 0.330 142 Y C -1.457 174.435 175.900 -0.014 0.000 1.178 142 Y CA -2.281 55.808 58.100 -0.019 0.000 1.331 142 Y CB 0.472 38.926 38.460 -0.010 0.000 1.253 142 Y HN -0.008 nan 8.280 nan 0.000 0.529 143 P HA 0.001 nan 4.420 nan 0.000 0.238 143 P C -0.885 176.459 177.300 0.073 0.000 1.729 143 P CA 0.049 63.190 63.100 0.068 0.000 1.055 143 P CB -0.652 31.075 31.700 0.045 0.000 1.980 144 V N -1.266 118.692 119.914 0.073 0.000 2.617 144 V HA 0.409 4.529 4.120 -0.000 0.000 0.298 144 V C 0.530 176.640 176.094 0.027 0.000 1.048 144 V CA -1.219 61.110 62.300 0.049 0.000 0.964 144 V CB 1.311 33.162 31.823 0.047 0.000 1.004 144 V HN 0.069 nan 8.190 nan 0.000 0.466 145 K N 3.626 124.035 120.400 0.016 0.000 2.344 145 K HA 0.146 4.466 4.320 -0.000 0.000 0.260 145 K C -1.691 174.914 176.600 0.008 0.000 0.988 145 K CA -0.446 55.846 56.287 0.008 0.000 0.909 145 K CB 0.081 32.581 32.500 0.001 0.000 0.968 145 K HN 0.506 nan 8.250 nan 0.000 0.505 146 P HA -0.208 nan 4.420 nan 0.000 0.215 146 P C 1.013 178.316 177.300 0.005 0.000 1.157 146 P CA 1.512 64.615 63.100 0.005 0.000 0.868 146 P CB 0.082 31.783 31.700 0.003 0.000 0.788 147 S N -0.994 114.708 115.700 0.003 0.000 2.547 147 S HA -0.099 4.371 4.470 -0.000 0.000 0.235 147 S C 1.447 176.050 174.600 0.004 0.000 0.980 147 S CA 0.880 59.081 58.200 0.003 0.000 0.941 147 S CB -0.988 62.212 63.200 -0.000 0.000 0.763 147 S HN 0.305 nan 8.310 nan 0.000 0.532 148 E N 0.531 120.735 120.200 0.006 0.000 2.473 148 E HA 0.126 4.476 4.350 -0.000 0.000 0.204 148 E C 0.013 176.619 176.600 0.010 0.000 0.994 148 E CA -0.278 56.127 56.400 0.008 0.000 0.945 148 E CB 0.185 29.890 29.700 0.008 0.000 0.990 148 E HN 0.501 nan 8.360 nan 0.000 0.493 149 E N 0.530 120.736 120.200 0.011 0.000 2.485 149 E HA -0.092 4.258 4.350 -0.000 0.000 0.266 149 E C 1.094 177.700 176.600 0.009 0.000 1.090 149 E CA 1.049 57.456 56.400 0.011 0.000 0.987 149 E CB 0.119 29.825 29.700 0.009 0.000 0.974 149 E HN 0.376 nan 8.360 nan 0.000 0.455 150 G N 1.518 110.322 108.800 0.008 0.000 2.280 150 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.282 150 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.282 150 G C 0.095 174.997 174.900 0.003 0.000 1.000 150 G CA 1.353 46.456 45.100 0.004 0.000 0.751 150 G HN 0.346 nan 8.290 nan 0.000 0.515 151 K N 0.406 120.808 120.400 0.004 0.000 2.164 151 K HA 0.548 4.868 4.320 -0.000 0.000 0.258 151 K C 0.753 177.351 176.600 -0.002 0.000 0.951 151 K CA -0.046 56.244 56.287 0.005 0.000 0.844 151 K CB 1.573 34.080 32.500 0.011 0.000 1.099 151 K HN 0.300 nan 8.250 nan 0.000 0.435 152 S N 0.846 116.546 115.700 0.000 0.000 2.614 152 S HA 0.194 4.664 4.470 -0.000 0.000 0.265 152 S C 1.221 175.823 174.600 0.003 0.000 1.303 152 S CA -0.152 58.044 58.200 -0.007 0.000 1.000 152 S CB 1.415 64.615 63.200 0.001 0.000 0.935 152 S HN 0.685 nan 8.310 nan 0.000 0.551 153 A N 1.777 124.593 122.820 -0.006 0.000 1.933 153 A HA 0.153 4.473 4.320 -0.000 0.000 0.218 153 A C 2.181 179.810 177.584 0.075 0.000 1.175 153 A CA 1.607 53.653 52.037 0.014 0.000 0.628 153 A CB -1.794 17.201 19.000 -0.009 0.000 0.814 153 A HN 1.145 nan 8.150 nan 0.000 0.444 154 G N -0.752 108.078 108.800 0.051 0.000 2.421 154 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 154 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 154 G C 1.604 176.570 174.900 0.109 0.000 1.171 154 G CA 0.990 46.128 45.100 0.063 0.000 0.775 154 G HN 0.635 nan 8.290 nan 0.000 0.543 155 Q N -0.209 119.631 119.800 0.067 0.000 2.084 155 Q HA 0.013 4.353 4.340 -0.000 0.000 0.202 155 Q C 2.690 178.744 176.000 0.090 0.000 0.978 155 Q CA 0.939 56.783 55.803 0.068 0.000 0.844 155 Q CB -0.282 28.479 28.738 0.039 0.000 0.898 155 Q HN 0.444 nan 8.270 nan 0.000 0.426 156 L N -0.637 120.637 121.223 0.087 0.000 2.046 156 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 156 L C 2.356 179.296 176.870 0.117 0.000 1.077 156 L CA 1.286 56.174 54.840 0.079 0.000 0.747 156 L CB -0.545 41.549 42.059 0.059 0.000 0.896 156 L HN 0.239 nan 8.230 nan 0.000 0.432 157 Y N 0.914 121.255 120.300 0.069 0.000 2.089 157 Y HA -0.330 4.220 4.550 -0.000 0.000 0.282 157 Y C 2.742 178.723 175.900 0.134 0.000 1.139 157 Y CA 2.146 60.316 58.100 0.116 0.000 1.123 157 Y CB -0.173 38.362 38.460 0.125 0.000 0.980 157 Y HN 0.169 nan 8.280 nan 0.000 0.493 158 E N -0.132 120.230 120.200 0.269 0.000 2.130 158 E HA -0.325 4.025 4.350 -0.000 0.000 0.196 158 E C 2.085 178.739 176.600 0.091 0.000 0.998 158 E CA 1.538 58.060 56.400 0.204 0.000 0.806 158 E CB -0.165 29.667 29.700 0.220 0.000 0.738 158 E HN 0.583 nan 8.360 nan 0.000 0.459 159 E N 0.164 120.406 120.200 0.070 0.000 2.070 159 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 159 E C 2.035 178.642 176.600 0.012 0.000 1.004 159 E CA 1.983 58.406 56.400 0.038 0.000 0.805 159 E CB -0.111 29.608 29.700 0.031 0.000 0.744 159 E HN 0.335 nan 8.360 nan 0.000 0.451 160 S N -0.297 115.394 115.700 -0.015 0.000 2.442 160 S HA -0.130 4.340 4.470 -0.000 0.000 0.236 160 S C 1.735 176.373 174.600 0.064 0.000 1.007 160 S CA 0.665 58.855 58.200 -0.017 0.000 0.965 160 S CB -0.245 62.925 63.200 -0.051 0.000 0.773 160 S HN 0.168 nan 8.310 nan 0.000 0.504 161 L N 2.544 123.780 121.223 0.021 0.000 2.450 161 L HA 0.145 4.485 4.340 -0.000 0.000 0.224 161 L C 2.493 179.385 176.870 0.038 0.000 1.149 161 L CA 0.702 55.556 54.840 0.024 0.000 0.816 161 L CB -1.678 40.387 42.059 0.011 0.000 0.932 161 L HN 0.463 nan 8.230 nan 0.000 0.449 162 G N -0.329 108.496 108.800 0.041 0.000 2.631 162 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.219 162 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.219 162 G C 1.727 176.653 174.900 0.044 0.000 1.214 162 G CA 1.092 46.213 45.100 0.035 0.000 0.785 162 G HN 0.400 nan 8.290 nan 0.000 0.596 163 K N -0.294 120.143 120.400 0.061 0.000 2.211 163 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 163 K C 2.534 179.201 176.600 0.111 0.000 1.047 163 K CA 1.134 57.474 56.287 0.087 0.000 0.935 163 K CB -0.136 32.418 32.500 0.090 0.000 0.728 163 K HN 0.265 nan 8.250 nan 0.000 0.452 164 V N 0.018 119.956 119.914 0.040 0.000 2.407 164 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 164 V C 2.149 178.257 176.094 0.024 0.000 1.041 164 V CA 1.095 63.372 62.300 -0.038 0.000 1.040 164 V CB 0.183 31.809 31.823 -0.328 0.000 0.671 164 V HN 0.119 nan 8.190 nan 0.000 0.455 165 V N 0.113 120.029 119.914 0.005 0.000 2.287 165 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 165 V C 2.392 178.502 176.094 0.026 0.000 1.053 165 V CA 2.248 64.550 62.300 0.003 0.000 1.027 165 V CB -0.626 31.199 31.823 0.003 0.000 0.646 165 V HN 0.625 nan 8.190 nan 0.000 0.447 166 E N -0.420 119.807 120.200 0.045 0.000 2.012 166 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 166 E C 2.353 178.995 176.600 0.071 0.000 1.007 166 E CA 1.356 57.787 56.400 0.051 0.000 0.816 166 E CB -0.255 29.479 29.700 0.057 0.000 0.762 166 E HN 0.525 nan 8.360 nan 0.000 0.451 167 E N 0.919 121.193 120.200 0.124 0.000 2.136 167 E HA -0.269 4.081 4.350 -0.000 0.000 0.208 167 E C 2.188 178.874 176.600 0.143 0.000 1.035 167 E CA 0.936 57.445 56.400 0.181 0.000 0.838 167 E CB -0.528 29.364 29.700 0.319 0.000 0.748 167 E HN 0.291 nan 8.360 nan 0.000 0.459 168 L N 0.868 122.156 121.223 0.108 0.000 1.971 168 L HA -0.285 4.055 4.340 -0.000 0.000 0.215 168 L C 2.459 179.344 176.870 0.026 0.000 1.072 168 L CA 1.896 56.770 54.840 0.056 0.000 0.758 168 L CB -0.224 41.833 42.059 -0.004 0.000 0.889 168 L HN 0.130 nan 8.230 nan 0.000 0.433 169 K N -0.715 119.693 120.400 0.014 0.000 2.074 169 K HA -0.270 4.050 4.320 -0.000 0.000 0.209 169 K C 2.162 178.759 176.600 -0.005 0.000 1.048 169 K CA 1.786 58.073 56.287 -0.001 0.000 0.926 169 K CB -0.299 32.201 32.500 0.001 0.000 0.713 169 K HN 0.314 nan 8.250 nan 0.000 0.444 170 R N 1.024 121.525 120.500 0.002 0.000 2.236 170 R HA -0.072 4.268 4.340 -0.000 0.000 0.208 170 R C 0.939 177.199 176.300 -0.067 0.000 1.036 170 R CA 1.492 57.578 56.100 -0.024 0.000 1.001 170 R CB 0.172 30.465 30.300 -0.012 0.000 0.896 170 R HN 0.369 nan 8.270 nan 0.000 0.464 171 T N -2.600 111.925 114.554 -0.049 0.000 2.501 171 T HA 0.297 4.647 4.350 -0.000 0.000 0.201 171 T C -0.858 173.836 174.700 -0.011 0.000 0.734 171 T CA -0.644 61.402 62.100 -0.091 0.000 1.356 171 T CB 0.420 69.158 68.868 -0.217 0.000 1.754 171 T HN 0.334 nan 8.240 nan 0.000 0.455 172 N N -1.599 117.131 118.700 0.050 0.000 2.416 172 N HA 0.436 5.176 4.740 -0.000 0.000 0.276 172 N C 0.577 176.129 175.510 0.071 0.000 1.261 172 N CA -0.680 52.398 53.050 0.046 0.000 0.790 172 N CB 0.909 39.416 38.487 0.033 0.000 1.554 172 N HN 0.575 nan 8.380 nan 0.000 0.481 173 c N -0.392 118.207 118.600 -0.002 0.000 2.363 173 c HA -0.222 4.348 4.570 -0.000 0.000 0.274 173 c C 2.859 176.949 174.090 0.001 0.000 1.183 173 c CA 1.893 58.189 56.329 -0.056 0.000 1.771 173 c CB -1.313 41.128 42.510 -0.115 0.000 2.059 173 c HN 0.922 nan 8.230 nan 0.000 0.455 174 S N -1.266 114.464 115.700 0.049 0.000 2.387 174 S HA -0.246 4.224 4.470 -0.000 0.000 0.230 174 S C 1.694 176.370 174.600 0.127 0.000 1.035 174 S CA 1.989 60.247 58.200 0.097 0.000 1.014 174 S CB -0.514 62.752 63.200 0.110 0.000 0.836 174 S HN 0.680 nan 8.310 nan 0.000 0.466 175 Y N 2.830 123.142 120.300 0.021 0.000 2.109 175 Y HA -0.070 4.480 4.550 -0.000 0.000 0.285 175 Y C 2.042 177.950 175.900 0.012 0.000 1.131 175 Y CA 1.950 60.061 58.100 0.020 0.000 1.121 175 Y CB -0.655 37.812 38.460 0.012 0.000 0.987 175 Y HN 0.457 nan 8.280 nan 0.000 0.495 176 I N -1.635 118.952 120.570 0.028 0.000 2.179 176 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 176 I C 2.139 178.241 176.117 -0.024 0.000 1.088 176 I CA 1.741 63.041 61.300 0.001 0.000 1.357 176 I CB -1.008 37.101 38.000 0.180 0.000 1.051 176 I HN 0.202 nan 8.210 nan 0.000 0.409 177 L N 1.011 122.204 121.223 -0.050 0.000 2.187 177 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 177 L C 2.284 179.080 176.870 -0.124 0.000 1.100 177 L CA 1.833 56.593 54.840 -0.132 0.000 0.765 177 L CB -0.805 41.128 42.059 -0.210 0.000 0.904 177 L HN 0.432 nan 8.230 nan 0.000 0.437 178 N N -0.331 118.344 118.700 -0.043 0.000 2.368 178 N HA -0.133 4.607 4.740 -0.000 0.000 0.176 178 N C 1.768 177.191 175.510 -0.146 0.000 1.021 178 N CA 0.655 53.722 53.050 0.029 0.000 0.888 178 N CB 0.181 38.697 38.487 0.049 0.000 0.995 178 N HN 0.136 nan 8.380 nan 0.000 0.437 179 K N -0.775 119.422 120.400 -0.339 0.000 2.021 179 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 179 K C 0.995 177.397 176.600 -0.330 0.000 1.047 179 K CA 1.041 57.045 56.287 -0.471 0.000 0.943 179 K CB -0.174 31.825 32.500 -0.835 0.000 0.725 179 K HN 0.182 nan 8.250 nan 0.000 0.439 180 Y N 1.222 121.533 120.300 0.017 0.000 2.616 180 Y HA -0.097 4.453 4.550 -0.000 0.000 0.296 180 Y C 1.579 177.591 175.900 0.186 0.000 1.154 180 Y CA 1.083 59.270 58.100 0.145 0.000 1.325 180 Y CB -0.298 38.194 38.460 0.055 0.000 1.007 180 Y HN 0.326 nan 8.280 nan 0.000 0.542 181 D N -0.490 119.964 120.400 0.091 0.000 2.348 181 D HA -0.114 4.526 4.640 -0.000 0.000 0.216 181 D C 1.826 178.012 176.300 -0.190 0.000 0.970 181 D CA 1.398 55.408 54.000 0.016 0.000 0.889 181 D CB -0.044 40.769 40.800 0.022 0.000 0.912 181 D HN 0.314 nan 8.370 nan 0.000 0.524 182 T N -3.059 111.330 114.554 -0.275 0.000 3.129 182 T HA 0.074 4.424 4.350 -0.000 0.000 0.251 182 T C 0.222 174.754 174.700 -0.281 0.000 1.117 182 T CA -0.148 61.519 62.100 -0.722 0.000 1.034 182 T CB -0.358 68.099 68.868 -0.686 0.000 0.968 182 T HN -0.041 nan 8.240 nan 0.000 0.526 183 Y N 2.212 122.490 120.300 -0.037 0.000 2.487 183 Y HA 0.588 5.138 4.550 -0.000 0.000 0.337 183 Y C 0.716 176.705 175.900 0.148 0.000 1.076 183 Y CA -1.438 56.722 58.100 0.100 0.000 1.115 183 Y CB 1.684 40.274 38.460 0.218 0.000 1.235 183 Y HN 0.150 nan 8.280 nan 0.000 0.468 184 S N -0.982 114.903 115.700 0.308 0.000 2.578 184 S HA 0.240 4.710 4.470 -0.000 0.000 0.283 184 S C 0.710 175.459 174.600 0.249 0.000 1.195 184 S CA -0.498 57.858 58.200 0.260 0.000 1.050 184 S CB 1.488 64.817 63.200 0.215 0.000 1.012 184 S HN 0.717 nan 8.310 nan 0.000 0.511 185 T N 1.941 116.664 114.554 0.281 0.000 2.635 185 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 185 T C 1.709 176.444 174.700 0.059 0.000 1.040 185 T CA 1.969 64.229 62.100 0.267 0.000 1.156 185 T CB -0.465 68.687 68.868 0.474 0.000 0.863 185 T HN 0.767 nan 8.240 nan 0.000 0.430 186 K N 0.816 121.203 120.400 -0.022 0.000 2.032 186 K HA -0.213 4.107 4.320 -0.000 0.000 0.209 186 K C 2.418 178.905 176.600 -0.187 0.000 1.048 186 K CA 1.917 57.979 56.287 -0.375 0.000 0.927 186 K CB -0.179 32.014 32.500 -0.511 0.000 0.712 186 K HN 0.506 nan 8.250 nan 0.000 0.441 187 E N -0.429 119.746 120.200 -0.042 0.000 2.070 187 E HA -0.293 4.057 4.350 -0.000 0.000 0.197 187 E C 1.967 178.562 176.600 -0.009 0.000 1.004 187 E CA 1.653 58.064 56.400 0.018 0.000 0.805 187 E CB -0.391 29.387 29.700 0.129 0.000 0.744 187 E HN 0.456 nan 8.360 nan 0.000 0.451 188 Y N 1.337 121.544 120.300 -0.155 0.000 2.070 188 Y HA -0.252 4.298 4.550 -0.000 0.000 0.280 188 Y C 2.089 177.756 175.900 -0.387 0.000 1.148 188 Y CA 2.211 60.064 58.100 -0.412 0.000 1.125 188 Y CB -0.518 37.282 38.460 -1.099 0.000 0.975 188 Y HN 0.048 nan 8.280 nan 0.000 0.492 189 L N -0.297 120.684 121.223 -0.403 0.000 2.137 189 L HA -0.292 4.048 4.340 -0.000 0.000 0.213 189 L C 2.389 179.059 176.870 -0.333 0.000 1.085 189 L CA 1.512 56.145 54.840 -0.346 0.000 0.760 189 L CB -0.649 41.318 42.059 -0.154 0.000 0.893 189 L HN 0.382 nan 8.230 nan 0.000 0.434 190 L N -1.190 119.870 121.223 -0.273 0.000 2.168 190 L HA -0.072 4.268 4.340 -0.000 0.000 0.203 190 L C 2.517 179.272 176.870 -0.192 0.000 1.078 190 L CA 0.843 55.566 54.840 -0.194 0.000 0.780 190 L CB -0.210 41.766 42.059 -0.139 0.000 0.939 190 L HN 0.137 nan 8.230 nan 0.000 0.451 191 K N -0.477 119.802 120.400 -0.202 0.000 2.067 191 K HA -0.037 4.283 4.320 -0.000 0.000 0.203 191 K C 1.922 178.389 176.600 -0.222 0.000 1.048 191 K CA 0.760 56.961 56.287 -0.143 0.000 0.954 191 K CB 0.235 32.722 32.500 -0.021 0.000 0.737 191 K HN 0.131 nan 8.250 nan 0.000 0.444 192 E N -0.078 119.842 120.200 -0.466 0.000 2.132 192 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 192 E C 2.164 178.420 176.600 -0.574 0.000 0.951 192 E CA 0.724 56.811 56.400 -0.523 0.000 0.843 192 E CB -0.346 28.944 29.700 -0.683 0.000 0.807 192 E HN 0.332 nan 8.360 nan 0.000 0.467 193 G N 1.845 110.119 108.800 -0.877 0.000 2.479 193 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.220 193 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.220 193 G C 0.784 175.534 174.900 -0.250 0.000 1.115 193 G CA 0.968 45.776 45.100 -0.486 0.000 0.757 193 G HN 0.390 nan 8.290 nan 0.000 0.560 194 N N -1.626 116.934 118.700 -0.234 0.000 2.740 194 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 194 N C -0.197 175.250 175.510 -0.105 0.000 1.062 194 N CA 0.351 53.319 53.050 -0.138 0.000 0.704 194 N CB -1.540 36.887 38.487 -0.100 0.000 0.968 194 N HN 0.357 nan 8.380 nan 0.000 0.547 195 L N -0.071 121.081 121.223 -0.117 0.000 2.358 195 L HA 0.520 4.860 4.340 -0.000 0.000 0.268 195 L C 0.906 177.740 176.870 -0.061 0.000 1.032 195 L CA -0.699 54.096 54.840 -0.076 0.000 0.805 195 L CB 1.474 43.489 42.059 -0.074 0.000 1.253 195 L HN 0.359 nan 8.230 nan 0.000 0.452 196 S N 0.102 115.782 115.700 -0.034 0.000 2.586 196 S HA 0.328 4.798 4.470 -0.000 0.000 0.274 196 S C -2.056 172.536 174.600 -0.012 0.000 1.281 196 S CA -1.201 56.987 58.200 -0.020 0.000 1.035 196 S CB 1.449 64.648 63.200 -0.003 0.000 0.962 196 S HN 0.364 nan 8.310 nan 0.000 0.512 197 P HA -0.074 nan 4.420 nan 0.000 0.217 197 P C 1.664 178.988 177.300 0.041 0.000 1.151 197 P CA 1.810 64.912 63.100 0.003 0.000 0.849 197 P CB -0.359 31.345 31.700 0.007 0.000 0.787 198 G N -0.277 108.558 108.800 0.059 0.000 2.402 198 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 198 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 198 G C 1.644 176.591 174.900 0.079 0.000 1.162 198 G CA 0.865 46.037 45.100 0.119 0.000 0.777 198 G HN 0.325 nan 8.290 nan 0.000 0.539 199 A N 0.254 123.091 122.820 0.027 0.000 1.902 199 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 199 A C 2.586 180.165 177.584 -0.008 0.000 1.181 199 A CA 1.880 53.910 52.037 -0.012 0.000 0.623 199 A CB -0.621 18.377 19.000 -0.003 0.000 0.818 199 A HN 0.274 nan 8.150 nan 0.000 0.443 200 V N 0.549 120.475 119.914 0.019 0.000 2.407 200 V HA -0.221 3.900 4.120 -0.000 0.000 0.248 200 V C 2.039 178.220 176.094 0.144 0.000 1.055 200 V CA 2.169 64.505 62.300 0.060 0.000 1.049 200 V CB -0.803 30.990 31.823 -0.049 0.000 0.662 200 V HN 0.464 nan 8.190 nan 0.000 0.455 201 D N -0.680 119.784 120.400 0.107 0.000 2.178 201 D HA -0.144 4.496 4.640 -0.000 0.000 0.202 201 D C 2.040 178.328 176.300 -0.020 0.000 0.974 201 D CA 1.159 55.257 54.000 0.163 0.000 0.841 201 D CB -0.110 40.852 40.800 0.270 0.000 0.953 201 D HN 0.365 nan 8.370 nan 0.000 0.478 202 M N -0.079 119.312 119.600 -0.349 0.000 2.098 202 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 202 M C 2.082 178.238 176.300 -0.240 0.000 1.072 202 M CA 1.111 55.959 55.300 -0.753 0.000 1.133 202 M CB 0.030 32.163 32.600 -0.778 0.000 1.344 202 M HN -0.076 nan 8.290 nan 0.000 0.414 203 I N -0.130 120.412 120.570 -0.048 0.000 2.208 203 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 203 I C 2.465 178.617 176.117 0.058 0.000 1.097 203 I CA 1.502 62.848 61.300 0.076 0.000 1.363 203 I CB -1.009 37.136 38.000 0.241 0.000 1.051 203 I HN 0.455 nan 8.210 nan 0.000 0.413 204 G N 0.494 109.360 108.800 0.110 0.000 2.459 204 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 204 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 204 G C 1.247 176.138 174.900 -0.015 0.000 1.183 204 G CA 1.227 46.294 45.100 -0.055 0.000 0.776 204 G HN 0.294 nan 8.290 nan 0.000 0.552 205 D N 0.430 120.861 120.400 0.052 0.000 2.084 205 D HA -0.035 4.605 4.640 -0.000 0.000 0.196 205 D C 2.718 179.109 176.300 0.152 0.000 0.985 205 D CA 0.680 54.736 54.000 0.094 0.000 0.826 205 D CB -0.369 40.531 40.800 0.167 0.000 0.978 205 D HN 0.342 nan 8.370 nan 0.000 0.456 206 L N -0.547 120.758 121.223 0.137 0.000 2.209 206 L HA 0.106 4.446 4.340 -0.000 0.000 0.207 206 L C 2.149 179.130 176.870 0.185 0.000 1.094 206 L CA 0.587 55.566 54.840 0.231 0.000 0.790 206 L CB -0.250 41.923 42.059 0.190 0.000 0.932 206 L HN -0.074 nan 8.230 nan 0.000 0.447 207 M N -0.391 119.253 119.600 0.072 0.000 2.494 207 M HA 0.056 4.536 4.480 -0.000 0.000 0.232 207 M C 0.217 176.466 176.300 -0.086 0.000 1.137 207 M CA 0.196 55.486 55.300 -0.016 0.000 1.012 207 M CB -0.169 32.407 32.600 -0.041 0.000 1.567 207 M HN 0.323 nan 8.290 nan 0.000 0.486 208 N N 1.273 119.977 118.700 0.008 0.000 2.758 208 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 208 N C 0.252 175.624 175.510 -0.231 0.000 1.076 208 N CA 0.060 53.082 53.050 -0.047 0.000 0.696 208 N CB -0.072 38.216 38.487 -0.331 0.000 0.979 208 N HN 0.358 nan 8.380 nan 0.000 0.550 209 E N -0.138 119.881 120.200 -0.302 0.000 2.431 209 E HA -0.034 4.316 4.350 -0.000 0.000 0.200 209 E C 1.097 177.178 176.600 -0.865 0.000 0.995 209 E CA 0.230 56.305 56.400 -0.542 0.000 0.915 209 E CB 0.007 29.389 29.700 -0.530 0.000 0.930 209 E HN 0.535 nan 8.360 nan 0.000 0.496 210 D N 1.296 121.328 120.400 -0.613 0.000 2.103 210 D HA -0.163 4.477 4.640 -0.000 0.000 0.190 210 D C 1.839 178.045 176.300 -0.158 0.000 0.997 210 D CA 2.294 56.054 54.000 -0.400 0.000 0.833 210 D CB 0.089 40.836 40.800 -0.089 0.000 0.961 210 D HN 0.086 nan 8.370 nan 0.000 0.447 211 S N -1.705 113.942 115.700 -0.088 0.000 2.603 211 S HA 0.093 4.563 4.470 -0.000 0.000 0.229 211 S C 1.433 176.032 174.600 -0.001 0.000 0.972 211 S CA 0.525 58.740 58.200 0.025 0.000 0.935 211 S CB 0.337 63.564 63.200 0.044 0.000 0.769 211 S HN 0.311 nan 8.310 nan 0.000 0.536 212 G N -0.568 108.135 108.800 -0.162 0.000 4.379 212 G HA2 0.326 4.286 3.960 -0.000 0.000 0.290 212 G HA3 0.326 4.286 3.960 -0.000 0.000 0.290 212 G C 0.036 174.792 174.900 -0.240 0.000 1.065 212 G CA -0.329 44.592 45.100 -0.299 0.000 0.833 212 G HN 0.325 nan 8.290 nan 0.000 0.512 213 Y N 0.695 120.940 120.300 -0.091 0.000 2.571 213 Y HA 0.003 4.553 4.550 -0.000 0.000 0.294 213 Y C 2.087 178.014 175.900 0.044 0.000 1.141 213 Y CA -0.264 57.843 58.100 0.011 0.000 1.308 213 Y CB -0.046 38.465 38.460 0.085 0.000 1.002 213 Y HN 0.622 nan 8.280 nan 0.000 0.551 214 Y N -1.500 118.954 120.300 0.256 0.000 2.466 214 Y HA 0.355 4.905 4.550 -0.000 0.000 0.272 214 Y C 0.755 176.756 175.900 0.169 0.000 1.169 214 Y CA -0.980 57.227 58.100 0.178 0.000 1.285 214 Y CB -1.265 37.270 38.460 0.124 0.000 1.078 214 Y HN -0.157 nan 8.280 nan 0.000 0.523 215 V N -0.882 118.917 119.914 -0.193 0.000 3.336 215 V HA 0.359 4.479 4.120 -0.000 0.000 0.304 215 V C 0.722 176.919 176.094 0.172 0.000 1.073 215 V CA -0.779 61.520 62.300 -0.003 0.000 1.074 215 V CB 1.093 32.858 31.823 -0.096 0.000 1.161 215 V HN 0.279 nan 8.190 nan 0.000 0.460 216 S N 1.007 116.840 115.700 0.221 0.000 2.544 216 S HA 0.065 4.535 4.470 -0.000 0.000 0.290 216 S C 0.560 175.321 174.600 0.269 0.000 1.276 216 S CA -0.146 58.202 58.200 0.246 0.000 1.075 216 S CB -0.653 62.701 63.200 0.256 0.000 0.849 216 S HN 0.869 nan 8.310 nan 0.000 0.494 217 F N 7.813 127.840 119.950 0.128 0.000 2.147 217 F HA 0.009 4.536 4.527 -0.000 0.000 0.301 217 F C -1.199 174.620 175.800 0.032 0.000 1.084 217 F CA 1.132 59.181 58.000 0.081 0.000 1.268 217 F CB -1.692 37.332 39.000 0.041 0.000 1.009 217 F HN 0.532 nan 8.300 nan 0.000 0.486 218 P HA -0.157 nan 4.420 nan 0.000 0.219 218 P C 1.602 178.778 177.300 -0.206 0.000 1.146 218 P CA 1.608 64.559 63.100 -0.248 0.000 0.808 218 P CB -0.097 31.513 31.700 -0.149 0.000 0.779 219 E N -0.816 119.352 120.200 -0.052 0.000 2.106 219 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 219 E C 2.088 178.666 176.600 -0.035 0.000 0.984 219 E CA 1.162 57.545 56.400 -0.028 0.000 0.806 219 E CB -0.729 29.008 29.700 0.061 0.000 0.750 219 E HN 0.199 nan 8.360 nan 0.000 0.458 220 S N 0.489 116.190 115.700 0.001 0.000 2.368 220 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 220 S C 2.143 176.750 174.600 0.011 0.000 1.029 220 S CA 0.530 58.781 58.200 0.084 0.000 0.988 220 S CB -0.118 63.282 63.200 0.334 0.000 0.838 220 S HN 0.136 nan 8.310 nan 0.000 0.462 221 L N 0.923 121.985 121.223 -0.270 0.000 2.017 221 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 221 L C 3.021 179.539 176.870 -0.586 0.000 1.073 221 L CA 1.431 56.047 54.840 -0.374 0.000 0.745 221 L CB -0.538 41.209 42.059 -0.519 0.000 0.894 221 L HN 0.273 nan 8.230 nan 0.000 0.432 222 R N -1.086 118.973 120.500 -0.734 0.000 2.091 222 R HA -0.204 4.136 4.340 -0.000 0.000 0.238 222 R C 2.355 178.507 176.300 -0.247 0.000 1.136 222 R CA 1.433 57.095 56.100 -0.730 0.000 0.959 222 R CB -0.658 29.363 30.300 -0.465 0.000 0.856 222 R HN 0.513 nan 8.270 nan 0.000 0.437 223 H N 0.718 119.722 119.070 -0.110 0.000 2.353 223 H HA -0.152 4.404 4.556 -0.000 0.000 0.300 223 H C 1.439 176.847 175.328 0.133 0.000 1.090 223 H CA 2.065 58.190 56.048 0.129 0.000 1.327 223 H CB 0.025 29.864 29.762 0.128 0.000 1.383 223 H HN 0.160 nan 8.280 nan 0.000 0.508 224 D N 0.096 120.508 120.400 0.020 0.000 2.144 224 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 224 D C 1.963 178.300 176.300 0.061 0.000 0.978 224 D CA 1.351 55.338 54.000 -0.021 0.000 0.833 224 D CB -0.400 40.404 40.800 0.007 0.000 0.961 224 D HN 0.445 nan 8.370 nan 0.000 0.470 225 D N -0.909 119.476 120.400 -0.025 0.000 2.221 225 D HA -0.128 4.512 4.640 -0.000 0.000 0.204 225 D C 1.839 178.107 176.300 -0.053 0.000 0.982 225 D CA 1.013 55.009 54.000 -0.007 0.000 0.857 225 D CB -0.036 40.660 40.800 -0.174 0.000 0.934 225 D HN 0.387 nan 8.370 nan 0.000 0.475 226 I N -1.402 119.048 120.570 -0.199 0.000 2.729 226 I HA -0.023 4.147 4.170 -0.000 0.000 0.256 226 I C 1.366 177.314 176.117 -0.282 0.000 1.115 226 I CA 0.166 61.231 61.300 -0.391 0.000 1.446 226 I CB -0.096 37.465 38.000 -0.732 0.000 1.176 226 I HN -0.048 nan 8.210 nan 0.000 0.446 227 F N 0.897 120.809 119.950 -0.063 0.000 2.367 227 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 227 F C 2.484 178.262 175.800 -0.037 0.000 1.094 227 F CA 0.900 58.894 58.000 -0.011 0.000 1.409 227 F CB -0.266 38.602 39.000 -0.219 0.000 1.064 227 F HN -0.023 nan 8.300 nan 0.000 0.528 228 A N -1.104 121.750 122.820 0.057 0.000 1.903 228 A HA -0.074 4.246 4.320 -0.000 0.000 0.213 228 A C 1.140 178.519 177.584 -0.341 0.000 1.185 228 A CA 1.027 52.964 52.037 -0.167 0.000 0.628 228 A CB -0.787 18.046 19.000 -0.278 0.000 0.830 228 A HN 0.425 nan 8.150 nan 0.000 0.446 229 Y N -0.463 119.836 120.300 -0.002 0.000 2.555 229 Y HA 0.401 4.951 4.550 -0.000 0.000 0.259 229 Y C 0.390 176.253 175.900 -0.063 0.000 1.179 229 Y CA -0.403 57.684 58.100 -0.022 0.000 1.230 229 Y CB 0.254 38.695 38.460 -0.032 0.000 1.146 229 Y HN 0.275 nan 8.280 nan 0.000 0.526 230 E N 1.943 122.159 120.200 0.026 0.000 2.166 230 E HA 0.246 4.596 4.350 -0.000 0.000 0.275 230 E C 0.158 176.764 176.600 0.010 0.000 0.941 230 E CA -0.564 55.773 56.400 -0.105 0.000 0.784 230 E CB 0.738 30.204 29.700 -0.390 0.000 1.115 230 E HN 0.309 nan 8.360 nan 0.000 0.399 231 K N 3.165 123.553 120.400 -0.021 0.000 2.455 231 K HA 0.349 4.669 4.320 -0.000 0.000 0.206 231 K C 0.037 176.685 176.600 0.080 0.000 1.027 231 K CA -0.549 55.778 56.287 0.066 0.000 1.113 231 K CB 0.613 33.138 32.500 0.042 0.000 0.850 231 K HN 0.164 nan 8.250 nan 0.000 0.503 232 R N 0.611 121.100 120.500 -0.018 0.000 2.522 232 R HA 0.402 4.742 4.340 -0.000 0.000 0.273 232 R C -2.082 174.118 176.300 -0.167 0.000 1.133 232 R CA -0.380 55.733 56.100 0.022 0.000 0.969 232 R CB 0.765 31.049 30.300 -0.027 0.000 1.235 232 R HN 0.021 nan 8.270 nan 0.000 0.433 233 F N 1.517 121.518 119.950 0.086 0.000 2.603 233 F HA 0.613 5.140 4.527 -0.000 0.000 0.317 233 F C -0.197 175.695 175.800 0.154 0.000 1.066 233 F CA -0.493 57.560 58.000 0.089 0.000 0.941 233 F CB 2.494 41.581 39.000 0.144 0.000 1.291 233 F HN 0.378 nan 8.300 nan 0.000 0.472 234 D N 0.002 120.583 120.400 0.301 0.000 2.570 234 D HA 0.361 5.001 4.640 -0.000 0.000 0.244 234 D C -1.405 175.031 176.300 0.227 0.000 1.178 234 D CA -0.531 53.623 54.000 0.258 0.000 0.881 234 D CB 2.801 43.693 40.800 0.154 0.000 1.453 234 D HN 0.666 nan 8.370 nan 0.000 0.447 235 E N 0.033 120.378 120.200 0.241 0.000 2.266 235 E HA 0.548 4.898 4.350 -0.000 0.000 0.268 235 E C -0.539 176.144 176.600 0.138 0.000 0.879 235 E CA -0.809 55.713 56.400 0.204 0.000 0.762 235 E CB 1.989 31.889 29.700 0.333 0.000 1.199 235 E HN 0.268 nan 8.360 nan 0.000 0.422 236 I N 2.606 123.228 120.570 0.086 0.000 2.517 236 I HA 0.018 4.188 4.170 -0.000 0.000 0.285 236 I C 0.047 176.169 176.117 0.009 0.000 1.106 236 I CA -0.702 60.624 61.300 0.044 0.000 1.402 236 I CB 0.827 38.836 38.000 0.015 0.000 1.399 236 I HN 0.413 nan 8.210 nan 0.000 0.535 237 V N 6.914 126.839 119.914 0.018 0.000 2.644 237 V HA 0.056 4.176 4.120 -0.000 0.000 0.305 237 V C 1.308 177.363 176.094 -0.066 0.000 1.053 237 V CA 1.442 63.740 62.300 -0.002 0.000 1.186 237 V CB 0.246 32.083 31.823 0.023 0.000 0.895 237 V HN 1.186 nan 8.190 nan 0.000 0.490 238 G N 3.018 111.753 108.800 -0.108 0.000 2.175 238 G HA2 0.186 4.146 3.960 -0.000 0.000 0.244 238 G HA3 0.186 4.146 3.960 -0.000 0.000 0.244 238 G C 0.700 175.162 174.900 -0.730 0.000 0.982 238 G CA -0.108 44.845 45.100 -0.246 0.000 0.641 238 G HN 2.474 nan 8.290 nan 0.000 0.527 239 G N -1.605 106.742 108.800 -0.756 0.000 2.697 239 G HA2 0.305 4.265 3.960 -0.000 0.000 0.684 239 G HA3 0.305 4.265 3.960 -0.000 0.000 0.684 239 G C 0.500 175.248 174.900 -0.253 0.000 1.274 239 G CA 0.278 44.957 45.100 -0.702 0.000 0.806 239 G HN 0.603 nan 8.290 nan 0.000 0.644 240 M N 1.329 120.861 119.600 -0.114 0.000 2.213 240 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 240 M C 2.290 178.552 176.300 -0.064 0.000 1.062 240 M CA 2.158 57.430 55.300 -0.046 0.000 1.105 240 M CB -0.939 31.662 32.600 0.002 0.000 1.385 240 M HN 0.850 nan 8.290 nan 0.000 0.417 241 D N 0.118 120.468 120.400 -0.083 0.000 2.384 241 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 241 D C 1.372 177.610 176.300 -0.103 0.000 0.976 241 D CA 0.740 54.690 54.000 -0.084 0.000 0.915 241 D CB -0.321 40.431 40.800 -0.080 0.000 0.896 241 D HN 0.183 nan 8.370 nan 0.000 0.523 242 K N 0.045 120.379 120.400 -0.110 0.000 2.147 242 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 242 K C 2.018 178.550 176.600 -0.113 0.000 1.049 242 K CA 0.241 56.466 56.287 -0.104 0.000 0.936 242 K CB -0.484 31.962 32.500 -0.090 0.000 0.722 242 K HN 0.251 nan 8.250 nan 0.000 0.446 243 L N 2.434 123.601 121.223 -0.093 0.000 1.976 243 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 243 L C -1.057 175.689 176.870 -0.206 0.000 1.071 243 L CA 1.956 56.730 54.840 -0.110 0.000 0.746 243 L CB -1.477 40.561 42.059 -0.035 0.000 0.890 243 L HN 0.049 nan 8.230 nan 0.000 0.432 244 P HA -0.108 nan 4.420 nan 0.000 0.220 244 P C 1.350 178.568 177.300 -0.137 0.000 1.148 244 P CA 1.550 64.556 63.100 -0.156 0.000 0.803 244 P CB -0.213 31.419 31.700 -0.114 0.000 0.782 245 T N -0.536 113.943 114.554 -0.126 0.000 2.867 245 T HA -0.046 4.304 4.350 -0.000 0.000 0.268 245 T C 2.096 176.741 174.700 -0.092 0.000 1.057 245 T CA 1.472 63.543 62.100 -0.048 0.000 1.136 245 T CB -0.475 68.357 68.868 -0.059 0.000 0.874 245 T HN 0.165 nan 8.240 nan 0.000 0.466 246 S N 1.141 116.661 115.700 -0.299 0.000 2.345 246 S HA 0.073 4.543 4.470 -0.000 0.000 0.219 246 S C 2.060 176.206 174.600 -0.756 0.000 1.031 246 S CA 0.849 58.724 58.200 -0.542 0.000 0.984 246 S CB -0.376 62.337 63.200 -0.811 0.000 0.874 246 S HN 0.347 nan 8.310 nan 0.000 0.451 247 M N 0.105 119.150 119.600 -0.925 0.000 2.144 247 M HA -0.186 4.294 4.480 -0.000 0.000 0.260 247 M C 2.008 178.192 176.300 -0.193 0.000 1.067 247 M CA 1.605 56.513 55.300 -0.654 0.000 1.095 247 M CB -0.231 32.079 32.600 -0.483 0.000 1.365 247 M HN 0.484 nan 8.290 nan 0.000 0.406 248 Y N 0.299 120.459 120.300 -0.233 0.000 2.220 248 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 248 Y C 2.121 177.981 175.900 -0.067 0.000 1.129 248 Y CA 1.614 59.647 58.100 -0.112 0.000 1.161 248 Y CB -0.267 38.126 38.460 -0.112 0.000 0.997 248 Y HN 0.074 nan 8.280 nan 0.000 0.522 249 R N 0.032 120.363 120.500 -0.281 0.000 2.092 249 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 249 R C 2.482 178.671 176.300 -0.184 0.000 1.119 249 R CA 1.064 56.983 56.100 -0.303 0.000 0.970 249 R CB -0.529 29.694 30.300 -0.127 0.000 0.864 249 R HN 0.442 nan 8.270 nan 0.000 0.440 250 A N 1.295 124.079 122.820 -0.061 0.000 2.019 250 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 250 A C 1.801 179.430 177.584 0.076 0.000 1.164 250 A CA 1.257 53.360 52.037 0.111 0.000 0.644 250 A CB -0.399 18.835 19.000 0.391 0.000 0.805 250 A HN 0.505 nan 8.150 nan 0.000 0.449 251 I N -5.034 115.535 120.570 -0.002 0.000 3.658 251 I HA 0.339 4.509 4.170 -0.000 0.000 0.328 251 I C 0.970 177.013 176.117 -0.123 0.000 1.567 251 I CA 0.055 61.350 61.300 -0.009 0.000 1.078 251 I CB 0.114 38.163 38.000 0.081 0.000 1.267 251 I HN 0.201 nan 8.210 nan 0.000 0.495 252 E N 2.976 123.002 120.200 -0.289 0.000 2.086 252 E HA -0.293 4.057 4.350 -0.000 0.000 0.205 252 E C 1.879 178.379 176.600 -0.166 0.000 1.027 252 E CA 2.711 58.843 56.400 -0.446 0.000 0.830 252 E CB 0.029 29.458 29.700 -0.451 0.000 0.751 252 E HN 0.769 nan 8.360 nan 0.000 0.456 253 E N 0.535 120.688 120.200 -0.078 0.000 2.338 253 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 253 E C 1.287 177.933 176.600 0.076 0.000 1.007 253 E CA 0.988 57.388 56.400 0.000 0.000 0.849 253 E CB -0.109 29.589 29.700 -0.002 0.000 0.774 253 E HN 0.279 nan 8.360 nan 0.000 0.506 254 K N 0.712 121.148 120.400 0.059 0.000 2.426 254 K HA 0.168 4.488 4.320 -0.000 0.000 0.193 254 K C 0.118 176.783 176.600 0.107 0.000 1.028 254 K CA 0.034 56.371 56.287 0.083 0.000 1.047 254 K CB 0.940 33.466 32.500 0.044 0.000 0.821 254 K HN -0.066 nan 8.250 nan 0.000 0.513 255 V N 1.976 121.991 119.914 0.168 0.000 2.427 255 V HA 0.154 4.274 4.120 -0.000 0.000 0.286 255 V C -0.425 175.887 176.094 0.362 0.000 1.034 255 V CA -0.746 61.681 62.300 0.213 0.000 0.893 255 V CB 1.123 33.119 31.823 0.288 0.000 0.982 255 V HN 0.224 nan 8.190 nan 0.000 0.452 256 H N 5.176 124.243 119.070 -0.006 0.000 2.551 256 H HA 0.515 5.071 4.556 -0.000 0.000 0.321 256 H C -0.555 174.726 175.328 -0.079 0.000 1.028 256 H CA -0.791 55.230 56.048 -0.046 0.000 1.215 256 H CB 1.589 31.277 29.762 -0.124 0.000 1.414 256 H HN 0.455 nan 8.280 nan 0.000 0.480 257 L N 2.202 123.457 121.223 0.052 0.000 2.469 257 L HA 0.115 4.455 4.340 -0.000 0.000 0.253 257 L C 0.961 177.812 176.870 -0.031 0.000 1.143 257 L CA -0.779 54.044 54.840 -0.028 0.000 0.804 257 L CB 0.288 42.316 42.059 -0.050 0.000 1.214 257 L HN 0.793 nan 8.230 nan 0.000 0.476 258 N N -0.206 118.463 118.700 -0.052 0.000 2.708 258 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 258 N C -0.500 175.018 175.510 0.014 0.000 1.097 258 N CA 1.037 54.078 53.050 -0.015 0.000 0.710 258 N CB -0.898 37.595 38.487 0.010 0.000 1.032 258 N HN 0.673 nan 8.380 nan 0.000 0.551 259 A N 0.697 123.493 122.820 -0.040 0.000 2.293 259 A HA 0.408 4.728 4.320 -0.000 0.000 0.312 259 A C 0.180 177.736 177.584 -0.046 0.000 1.309 259 A CA -0.528 51.469 52.037 -0.066 0.000 0.839 259 A CB 0.933 19.709 19.000 -0.374 0.000 1.155 259 A HN 0.233 nan 8.150 nan 0.000 0.501 260 Q N 3.110 122.962 119.800 0.088 0.000 2.368 260 Q HA 0.470 4.810 4.340 -0.000 0.000 0.256 260 Q C -1.051 175.030 176.000 0.134 0.000 0.980 260 Q CA -0.446 55.412 55.803 0.091 0.000 0.887 260 Q CB 1.035 29.846 28.738 0.121 0.000 1.221 260 Q HN 0.505 nan 8.270 nan 0.000 0.458 261 V N 7.305 127.270 119.914 0.085 0.000 2.485 261 V HA -0.045 4.075 4.120 -0.000 0.000 0.287 261 V C 1.179 177.298 176.094 0.042 0.000 1.022 261 V CA 0.661 63.011 62.300 0.083 0.000 1.067 261 V CB 0.072 31.905 31.823 0.017 0.000 0.967 261 V HN 0.851 nan 8.190 nan 0.000 0.479 262 I N 1.466 122.055 120.570 0.032 0.000 4.187 262 I HA 0.489 4.659 4.170 -0.000 0.000 0.326 262 I C 0.636 176.719 176.117 -0.056 0.000 1.302 262 I CA 0.206 61.505 61.300 -0.001 0.000 1.196 262 I CB 0.354 38.363 38.000 0.015 0.000 1.095 262 I HN 0.508 nan 8.210 nan 0.000 0.411 263 K N 1.575 121.924 120.400 -0.086 0.000 2.546 263 K HA 0.657 4.977 4.320 -0.000 0.000 0.264 263 K C -1.858 174.638 176.600 -0.175 0.000 0.937 263 K CA -0.643 55.562 56.287 -0.137 0.000 0.833 263 K CB 2.991 35.445 32.500 -0.076 0.000 1.378 263 K HN 0.147 nan 8.250 nan 0.000 0.432 264 I N 3.643 124.062 120.570 -0.251 0.000 2.500 264 I HA 0.236 4.406 4.170 -0.000 0.000 0.286 264 I C -0.923 175.141 176.117 -0.088 0.000 1.063 264 I CA -0.646 60.531 61.300 -0.206 0.000 1.062 264 I CB 2.091 39.870 38.000 -0.368 0.000 1.223 264 I HN 0.501 nan 8.210 nan 0.000 0.435 265 Q N 5.148 124.924 119.800 -0.040 0.000 2.309 265 Q HA 0.477 4.817 4.340 -0.000 0.000 0.264 265 Q C -0.849 175.155 176.000 0.007 0.000 1.008 265 Q CA -0.974 54.826 55.803 -0.004 0.000 0.853 265 Q CB 3.323 32.055 28.738 -0.011 0.000 1.314 265 Q HN 0.370 nan 8.270 nan 0.000 0.448 266 K N 1.856 122.271 120.400 0.025 0.000 2.183 266 K HA 0.325 4.645 4.320 -0.000 0.000 0.274 266 K C -1.060 175.544 176.600 0.007 0.000 1.009 266 K CA -0.307 55.991 56.287 0.018 0.000 0.888 266 K CB 0.612 33.134 32.500 0.036 0.000 1.078 266 K HN 0.439 nan 8.250 nan 0.000 0.459 267 N N 3.210 121.907 118.700 -0.005 0.000 2.716 267 N HA 0.323 5.063 4.740 -0.000 0.000 0.253 267 N C -0.675 174.829 175.510 -0.010 0.000 1.170 267 N CA 0.519 53.565 53.050 -0.006 0.000 0.807 267 N CB 1.603 40.085 38.487 -0.009 0.000 1.183 267 N HN 0.855 nan 8.380 nan 0.000 0.524 268 A N 1.767 124.584 122.820 -0.004 0.000 5.122 268 A HA -0.313 4.007 4.320 -0.000 0.000 0.315 268 A C 0.680 178.255 177.584 -0.017 0.000 1.926 268 A CA 1.362 53.396 52.037 -0.006 0.000 0.712 268 A CB -1.066 17.930 19.000 -0.006 0.000 1.325 268 A HN 0.597 nan 8.150 nan 0.000 0.371 269 E N 0.516 120.699 120.200 -0.028 0.000 2.451 269 E HA 0.200 4.550 4.350 -0.000 0.000 0.194 269 E C -0.225 176.320 176.600 -0.092 0.000 1.027 269 E CA -0.135 56.231 56.400 -0.056 0.000 0.914 269 E CB 0.290 29.961 29.700 -0.049 0.000 1.054 269 E HN 0.348 nan 8.360 nan 0.000 0.461 270 K N 0.961 121.322 120.400 -0.066 0.000 2.281 270 K HA 0.523 4.843 4.320 -0.000 0.000 0.242 270 K C -0.549 176.014 176.600 -0.062 0.000 0.971 270 K CA -0.939 55.304 56.287 -0.073 0.000 0.834 270 K CB 2.660 35.135 32.500 -0.042 0.000 1.181 270 K HN -0.190 nan 8.250 nan 0.000 0.435 271 V N 1.261 121.133 119.914 -0.070 0.000 2.525 271 V HA 0.323 4.443 4.120 -0.000 0.000 0.299 271 V C -0.360 175.704 176.094 -0.051 0.000 1.034 271 V CA -0.847 61.422 62.300 -0.050 0.000 0.863 271 V CB 1.857 33.651 31.823 -0.049 0.000 0.999 271 V HN 0.696 nan 8.190 nan 0.000 0.423 272 T N 4.263 118.795 114.554 -0.036 0.000 2.795 272 T HA 0.581 4.931 4.350 -0.000 0.000 0.282 272 T C -0.276 174.402 174.700 -0.037 0.000 0.980 272 T CA -0.328 61.752 62.100 -0.033 0.000 1.012 272 T CB 1.539 70.392 68.868 -0.026 0.000 0.936 272 T HN 0.397 nan 8.240 nan 0.000 0.457 273 V N 4.452 124.352 119.914 -0.022 0.000 2.378 273 V HA 0.397 4.517 4.120 -0.000 0.000 0.288 273 V C -0.055 176.063 176.094 0.039 0.000 1.016 273 V CA -0.801 61.497 62.300 -0.003 0.000 0.840 273 V CB 1.510 33.339 31.823 0.011 0.000 0.994 273 V HN 0.692 nan 8.190 nan 0.000 0.431 274 V N 6.425 126.338 119.914 -0.002 0.000 2.472 274 V HA 0.612 4.732 4.120 -0.000 0.000 0.290 274 V C -0.582 175.531 176.094 0.033 0.000 1.037 274 V CA -0.561 61.709 62.300 -0.051 0.000 0.908 274 V CB 1.152 32.931 31.823 -0.072 0.000 0.985 274 V HN 0.898 nan 8.190 nan 0.000 0.454 275 Y N 1.850 122.139 120.300 -0.018 0.000 2.544 275 Y HA 0.730 5.280 4.550 -0.000 0.000 0.342 275 Y C -0.610 175.294 175.900 0.007 0.000 1.062 275 Y CA -1.500 56.595 58.100 -0.008 0.000 1.023 275 Y CB 1.467 39.925 38.460 -0.003 0.000 1.308 275 Y HN 0.696 nan 8.280 nan 0.000 0.457 276 Q N 1.538 121.449 119.800 0.185 0.000 2.256 276 Q HA 0.622 4.962 4.340 -0.000 0.000 0.257 276 Q C -0.445 175.684 176.000 0.215 0.000 0.936 276 Q CA -0.802 55.069 55.803 0.113 0.000 0.903 276 Q CB 2.195 30.972 28.738 0.064 0.000 1.263 276 Q HN 0.844 nan 8.270 nan 0.000 0.440 277 T N -1.316 113.337 114.554 0.165 0.000 2.862 277 T HA 0.325 4.675 4.350 -0.000 0.000 0.276 277 T C -1.734 173.023 174.700 0.095 0.000 0.974 277 T CA -1.679 60.520 62.100 0.165 0.000 0.966 277 T CB 0.706 69.665 68.868 0.152 0.000 1.072 277 T HN 0.322 nan 8.240 nan 0.000 0.538 278 P HA -0.278 nan 4.420 nan 0.000 0.218 278 P C 1.673 178.999 177.300 0.042 0.000 1.132 278 P CA 2.440 65.571 63.100 0.052 0.000 0.968 278 P CB -0.580 31.143 31.700 0.038 0.000 0.783 279 A N -0.108 122.733 122.820 0.035 0.000 1.908 279 A HA -0.235 4.085 4.320 -0.000 0.000 0.211 279 A C 1.297 178.896 177.584 0.025 0.000 1.225 279 A CA 3.366 55.418 52.037 0.024 0.000 0.689 279 A CB -0.893 18.119 19.000 0.019 0.000 0.843 279 A HN 0.446 nan 8.150 nan 0.000 0.472 280 K N -1.621 118.793 120.400 0.023 0.000 2.908 280 K HA 0.073 4.393 4.320 -0.000 0.000 0.111 280 K C -1.193 175.411 176.600 0.007 0.000 1.121 280 K CA 0.035 56.333 56.287 0.019 0.000 1.042 280 K CB -0.853 31.654 32.500 0.013 0.000 0.983 280 K HN 0.534 nan 8.250 nan 0.000 0.347 281 E N 2.584 122.787 120.200 0.006 0.000 2.229 281 E HA 0.356 4.706 4.350 -0.000 0.000 0.283 281 E C -0.313 176.262 176.600 -0.042 0.000 1.030 281 E CA -0.311 56.080 56.400 -0.015 0.000 0.836 281 E CB 1.098 30.792 29.700 -0.009 0.000 1.068 281 E HN 0.156 nan 8.360 nan 0.000 0.401 282 M N 2.052 121.607 119.600 -0.075 0.000 2.314 282 M HA 0.572 5.052 4.480 -0.000 0.000 0.342 282 M C -0.157 176.001 176.300 -0.238 0.000 1.171 282 M CA -0.336 54.876 55.300 -0.147 0.000 1.098 282 M CB 1.484 34.017 32.600 -0.112 0.000 1.559 282 M HN 0.646 nan 8.290 nan 0.000 0.459 283 A N 1.335 123.865 122.820 -0.483 0.000 2.564 283 A HA 0.937 5.257 4.320 -0.000 0.000 0.288 283 A C -0.963 176.219 177.584 -0.669 0.000 1.164 283 A CA -0.546 51.164 52.037 -0.546 0.000 0.712 283 A CB 1.709 20.351 19.000 -0.597 0.000 1.303 283 A HN 0.843 nan 8.150 nan 0.000 0.418 284 S N -1.466 114.019 115.700 -0.358 0.000 2.671 284 S HA 0.833 5.303 4.470 -0.000 0.000 0.277 284 S C -1.348 173.277 174.600 0.041 0.000 1.165 284 S CA -0.219 57.892 58.200 -0.148 0.000 0.822 284 S CB 1.173 64.318 63.200 -0.093 0.000 1.150 284 S HN 2.285 nan 8.310 nan 0.000 0.479 285 V N 0.732 120.693 119.914 0.078 0.000 2.852 285 V HA 0.643 4.763 4.120 -0.000 0.000 0.300 285 V C -1.301 174.798 176.094 0.007 0.000 1.205 285 V CA -0.073 62.278 62.300 0.085 0.000 0.940 285 V CB 1.796 33.693 31.823 0.122 0.000 1.047 285 V HN 1.154 nan 8.190 nan 0.000 0.429 286 T N 6.170 120.732 114.554 0.013 0.000 2.837 286 T HA 0.894 5.244 4.350 -0.000 0.000 0.285 286 T C 0.069 174.718 174.700 -0.086 0.000 0.984 286 T CA 0.394 62.479 62.100 -0.024 0.000 1.049 286 T CB 1.472 70.346 68.868 0.011 0.000 0.947 286 T HN 1.400 nan 8.240 nan 0.000 0.472 287 A N 1.806 124.537 122.820 -0.147 0.000 2.524 287 A HA 0.695 5.015 4.320 -0.000 0.000 0.286 287 A C 0.257 177.760 177.584 -0.135 0.000 1.203 287 A CA -0.668 51.239 52.037 -0.216 0.000 0.736 287 A CB 1.000 19.767 19.000 -0.388 0.000 1.322 287 A HN 0.690 nan 8.150 nan 0.000 0.424 288 D N -1.318 118.999 120.400 -0.138 0.000 2.262 288 D HA 0.155 4.795 4.640 -0.000 0.000 0.212 288 D C -0.635 175.318 176.300 -0.579 0.000 0.964 288 D CA 1.738 55.546 54.000 -0.321 0.000 0.875 288 D CB 0.184 40.819 40.800 -0.275 0.000 0.996 288 D HN 0.446 nan 8.370 nan 0.000 0.497 289 Y N -0.424 119.864 120.300 -0.019 0.000 2.545 289 Y HA 0.469 5.019 4.550 -0.000 0.000 0.348 289 Y C -0.273 175.610 175.900 -0.028 0.000 1.002 289 Y CA -1.015 57.090 58.100 0.009 0.000 1.039 289 Y CB 2.279 40.730 38.460 -0.015 0.000 1.271 289 Y HN -0.412 nan 8.280 nan 0.000 0.467 290 V N 3.668 123.698 119.914 0.193 0.000 2.760 290 V HA 0.498 4.618 4.120 -0.000 0.000 0.309 290 V C -0.820 175.309 176.094 0.059 0.000 1.077 290 V CA -0.897 61.441 62.300 0.063 0.000 0.910 290 V CB 2.164 33.993 31.823 0.009 0.000 1.008 290 V HN 0.558 nan 8.190 nan 0.000 0.424 291 I N 4.115 124.685 120.570 0.001 0.000 2.410 291 I HA 0.422 4.592 4.170 -0.000 0.000 0.286 291 I C -0.507 175.578 176.117 -0.054 0.000 1.009 291 I CA -0.856 60.428 61.300 -0.027 0.000 1.111 291 I CB 2.005 40.001 38.000 -0.005 0.000 1.262 291 I HN 0.272 nan 8.210 nan 0.000 0.443 292 V N 5.755 125.588 119.914 -0.135 0.000 2.408 292 V HA 0.075 4.195 4.120 -0.000 0.000 0.267 292 V C 0.340 176.517 176.094 0.139 0.000 1.047 292 V CA -0.128 62.183 62.300 0.018 0.000 0.937 292 V CB 1.019 32.896 31.823 0.090 0.000 0.999 292 V HN 0.927 nan 8.190 nan 0.000 0.472 293 C N 3.585 122.961 119.300 0.127 0.000 2.742 293 C HA 0.256 4.716 4.460 -0.000 0.000 0.283 293 C C 1.394 176.486 174.990 0.169 0.000 1.451 293 C CA -0.371 58.732 59.018 0.142 0.000 1.785 293 C CB -1.124 26.660 27.740 0.072 0.000 2.664 293 C HN 0.949 nan 8.230 nan 0.000 0.544 294 T N -0.906 113.774 114.554 0.210 0.000 2.881 294 T HA 0.484 4.834 4.350 -0.000 0.000 0.278 294 T C 0.455 175.287 174.700 0.219 0.000 0.982 294 T CA -0.072 62.133 62.100 0.176 0.000 0.989 294 T CB 0.871 69.832 68.868 0.155 0.000 1.058 294 T HN 0.419 nan 8.240 nan 0.000 0.529 295 T N -0.448 114.162 114.554 0.093 0.000 2.802 295 T HA 0.198 4.548 4.350 -0.000 0.000 0.305 295 T C 1.741 176.295 174.700 -0.243 0.000 1.053 295 T CA -0.209 61.849 62.100 -0.069 0.000 1.058 295 T CB 0.422 69.234 68.868 -0.093 0.000 0.988 295 T HN 0.865 nan 8.240 nan 0.000 0.539 296 S N 1.327 116.637 115.700 -0.651 0.000 2.383 296 S HA -0.187 4.283 4.470 -0.000 0.000 0.229 296 S C 1.911 176.446 174.600 -0.108 0.000 1.030 296 S CA 0.530 58.500 58.200 -0.383 0.000 1.002 296 S CB -0.511 62.503 63.200 -0.310 0.000 0.829 296 S HN 0.738 nan 8.310 nan 0.000 0.467 297 R N 1.368 121.793 120.500 -0.126 0.000 2.119 297 R HA 0.227 4.567 4.340 -0.000 0.000 0.222 297 R C 2.635 178.917 176.300 -0.030 0.000 1.088 297 R CA 0.997 57.047 56.100 -0.083 0.000 0.984 297 R CB -0.653 29.548 30.300 -0.164 0.000 0.884 297 R HN 0.579 nan 8.270 nan 0.000 0.447 298 A N 0.688 123.495 122.820 -0.020 0.000 2.014 298 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 298 A C 2.019 179.663 177.584 0.101 0.000 1.163 298 A CA 1.309 53.373 52.037 0.045 0.000 0.652 298 A CB -0.426 18.615 19.000 0.070 0.000 0.808 298 A HN 0.180 nan 8.150 nan 0.000 0.449 299 T N -0.213 114.416 114.554 0.125 0.000 2.821 299 T HA -0.104 4.246 4.350 -0.000 0.000 0.267 299 T C 1.908 176.761 174.700 0.256 0.000 1.046 299 T CA 1.306 63.551 62.100 0.242 0.000 1.139 299 T CB -0.220 68.809 68.868 0.268 0.000 0.871 299 T HN 0.507 nan 8.240 nan 0.000 0.454 300 R N 0.697 121.284 120.500 0.145 0.000 2.293 300 R HA 0.089 4.429 4.340 -0.000 0.000 0.219 300 R C 2.408 178.783 176.300 0.125 0.000 1.091 300 R CA 0.628 56.804 56.100 0.127 0.000 1.004 300 R CB -0.025 30.313 30.300 0.063 0.000 0.865 300 R HN 0.292 nan 8.270 nan 0.000 0.469 301 R N 0.169 120.736 120.500 0.112 0.000 2.246 301 R HA 0.137 4.477 4.340 -0.000 0.000 0.199 301 R C 0.595 176.944 176.300 0.082 0.000 0.984 301 R CA 0.396 56.545 56.100 0.082 0.000 1.015 301 R CB 0.205 30.542 30.300 0.061 0.000 0.930 301 R HN 0.147 nan 8.270 nan 0.000 0.475 302 I N 2.077 122.713 120.570 0.111 0.000 2.441 302 I HA 0.053 4.223 4.170 -0.000 0.000 0.287 302 I C 0.491 176.616 176.117 0.015 0.000 1.049 302 I CA -0.197 61.102 61.300 -0.002 0.000 1.381 302 I CB 0.894 38.816 38.000 -0.129 0.000 1.409 302 I HN -0.189 nan 8.210 nan 0.000 0.523 303 K N 6.615 126.977 120.400 -0.062 0.000 2.276 303 K HA 0.349 4.669 4.320 -0.000 0.000 0.285 303 K C -1.286 175.263 176.600 -0.084 0.000 1.062 303 K CA -0.280 56.014 56.287 0.013 0.000 0.918 303 K CB 0.505 33.008 32.500 0.005 0.000 1.055 303 K HN 0.270 nan 8.250 nan 0.000 0.477 304 F N 2.638 122.620 119.950 0.053 0.000 2.422 304 F HA 0.304 4.831 4.527 -0.000 0.000 0.333 304 F C 0.105 175.931 175.800 0.042 0.000 1.095 304 F CA -0.424 57.611 58.000 0.057 0.000 1.038 304 F CB 1.700 40.748 39.000 0.081 0.000 1.156 304 F HN 0.439 nan 8.300 nan 0.000 0.483 305 E N 4.557 124.874 120.200 0.194 0.000 2.283 305 E HA 0.250 4.600 4.350 -0.000 0.000 0.258 305 E C -2.597 174.072 176.600 0.115 0.000 0.893 305 E CA -1.990 54.483 56.400 0.121 0.000 0.798 305 E CB 2.086 31.823 29.700 0.062 0.000 1.242 305 E HN 0.242 nan 8.360 nan 0.000 0.414 306 P HA 0.205 nan 4.420 nan 0.000 0.274 306 P C -2.611 174.773 177.300 0.141 0.000 1.260 306 P CA -1.484 61.675 63.100 0.099 0.000 0.793 306 P CB -0.110 31.630 31.700 0.067 0.000 1.048 307 P HA 0.140 nan 4.420 nan 0.000 0.269 307 P C -0.039 177.281 177.300 0.034 0.000 1.215 307 P CA 0.087 63.248 63.100 0.102 0.000 0.780 307 P CB 0.229 31.967 31.700 0.063 0.000 0.898 308 L N 4.007 125.197 121.223 -0.055 0.000 2.485 308 L HA 0.158 4.498 4.340 -0.000 0.000 0.275 308 L C -1.422 175.398 176.870 -0.082 0.000 1.207 308 L CA -1.559 53.182 54.840 -0.165 0.000 0.855 308 L CB -0.417 41.434 42.059 -0.347 0.000 1.114 308 L HN 0.314 nan 8.230 nan 0.000 0.485 309 P HA 0.086 nan 4.420 nan 0.000 0.270 309 P C -2.287 174.993 177.300 -0.032 0.000 1.223 309 P CA -1.240 61.838 63.100 -0.037 0.000 0.785 309 P CB 0.120 31.801 31.700 -0.031 0.000 0.923 310 P HA -0.214 nan 4.420 nan 0.000 0.216 310 P C 1.480 178.809 177.300 0.048 0.000 1.167 310 P CA 2.204 65.311 63.100 0.011 0.000 0.914 310 P CB -0.125 31.582 31.700 0.012 0.000 0.793 311 K N -0.444 119.987 120.400 0.051 0.000 2.057 311 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 311 K C 2.216 178.858 176.600 0.070 0.000 1.049 311 K CA 1.376 57.722 56.287 0.097 0.000 0.931 311 K CB -0.291 32.244 32.500 0.059 0.000 0.714 311 K HN 0.081 nan 8.250 nan 0.000 0.440 312 K N 0.783 121.172 120.400 -0.018 0.000 2.057 312 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 312 K C 2.120 178.659 176.600 -0.100 0.000 1.050 312 K CA 1.081 57.308 56.287 -0.101 0.000 0.935 312 K CB -0.062 32.316 32.500 -0.202 0.000 0.715 312 K HN 0.128 nan 8.250 nan 0.000 0.439 313 A N 0.481 123.263 122.820 -0.062 0.000 1.883 313 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 313 A C 2.014 179.607 177.584 0.015 0.000 1.186 313 A CA 1.880 53.892 52.037 -0.042 0.000 0.624 313 A CB -1.028 17.958 19.000 -0.023 0.000 0.822 313 A HN 0.609 nan 8.150 nan 0.000 0.444 314 H N -0.708 118.321 119.070 -0.068 0.000 2.321 314 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 314 H C 2.371 177.515 175.328 -0.306 0.000 1.087 314 H CA 1.071 57.070 56.048 -0.081 0.000 1.319 314 H CB -0.024 29.778 29.762 0.067 0.000 1.379 314 H HN 0.478 nan 8.280 nan 0.000 0.501 315 A N 1.147 123.793 122.820 -0.291 0.000 1.892 315 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 315 A C 2.497 179.863 177.584 -0.364 0.000 1.188 315 A CA 1.646 53.301 52.037 -0.636 0.000 0.631 315 A CB -0.940 17.934 19.000 -0.211 0.000 0.822 315 A HN 0.464 nan 8.150 nan 0.000 0.447 316 L N -1.155 119.969 121.223 -0.164 0.000 2.191 316 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 316 L C 2.761 179.602 176.870 -0.050 0.000 1.103 316 L CA 1.710 56.502 54.840 -0.080 0.000 0.769 316 L CB -0.481 41.542 42.059 -0.061 0.000 0.908 316 L HN 0.538 nan 8.230 nan 0.000 0.438 317 R N -0.362 120.108 120.500 -0.050 0.000 2.100 317 R HA -0.044 4.296 4.340 -0.000 0.000 0.220 317 R C 2.044 178.357 176.300 0.020 0.000 1.091 317 R CA 1.403 57.510 56.100 0.011 0.000 0.986 317 R CB 0.102 30.436 30.300 0.055 0.000 0.888 317 R HN 0.146 nan 8.270 nan 0.000 0.444 318 S N 0.090 115.738 115.700 -0.087 0.000 2.492 318 S HA 0.147 4.617 4.470 -0.000 0.000 0.218 318 S C 0.248 174.848 174.600 0.001 0.000 1.016 318 S CA -0.239 57.932 58.200 -0.049 0.000 0.916 318 S CB 0.753 63.902 63.200 -0.085 0.000 0.791 318 S HN 0.042 nan 8.310 nan 0.000 0.513 319 V N 4.151 124.012 119.914 -0.088 0.000 2.506 319 V HA -0.033 4.087 4.120 -0.000 0.000 0.296 319 V C 0.507 176.724 176.094 0.205 0.000 1.004 319 V CA 0.243 62.615 62.300 0.120 0.000 1.150 319 V CB -0.832 31.062 31.823 0.118 0.000 0.911 319 V HN 0.421 nan 8.190 nan 0.000 0.476 320 H N 5.176 124.341 119.070 0.159 0.000 2.771 320 H HA 0.369 4.925 4.556 -0.000 0.000 0.364 320 H C -0.895 174.406 175.328 -0.045 0.000 1.133 320 H CA 0.324 56.468 56.048 0.160 0.000 1.423 320 H CB 0.344 30.248 29.762 0.237 0.000 1.425 320 H HN 0.544 nan 8.280 nan 0.000 0.606 321 Y N 1.588 121.528 120.300 -0.601 0.000 2.512 321 Y HA 0.433 4.983 4.550 -0.000 0.000 0.348 321 Y C 0.010 175.607 175.900 -0.505 0.000 0.990 321 Y CA -0.912 56.948 58.100 -0.399 0.000 1.033 321 Y CB 1.623 39.959 38.460 -0.207 0.000 1.259 321 Y HN 0.494 nan 8.280 nan 0.000 0.461 322 R N 1.046 121.516 120.500 -0.050 0.000 2.514 322 R HA 0.574 4.914 4.340 -0.000 0.000 0.301 322 R C -0.568 175.797 176.300 0.109 0.000 0.962 322 R CA -0.704 55.424 56.100 0.047 0.000 0.882 322 R CB 1.796 32.135 30.300 0.064 0.000 1.143 322 R HN 0.686 nan 8.270 nan 0.000 0.452 323 S N 0.191 115.975 115.700 0.141 0.000 2.584 323 S HA 0.372 4.842 4.470 -0.000 0.000 0.270 323 S C 0.252 174.972 174.600 0.200 0.000 1.346 323 S CA -0.313 57.994 58.200 0.178 0.000 1.018 323 S CB 1.223 64.531 63.200 0.180 0.000 0.899 323 S HN 0.757 nan 8.310 nan 0.000 0.542 324 G N 0.743 109.715 108.800 0.287 0.000 2.733 324 G HA2 0.545 4.505 3.960 -0.000 0.000 0.289 324 G HA3 0.545 4.505 3.960 -0.000 0.000 0.289 324 G C -1.160 174.017 174.900 0.461 0.000 1.473 324 G CA -0.455 44.868 45.100 0.373 0.000 1.123 324 G HN 0.575 nan 8.290 nan 0.000 0.544 325 T N 1.778 116.569 114.554 0.396 0.000 2.912 325 T HA 0.586 4.936 4.350 -0.000 0.000 0.299 325 T C -0.560 174.290 174.700 0.250 0.000 1.052 325 T CA -0.654 61.611 62.100 0.275 0.000 0.996 325 T CB 2.061 71.040 68.868 0.185 0.000 1.070 325 T HN 0.418 nan 8.240 nan 0.000 0.465 326 K N 2.442 122.903 120.400 0.102 0.000 2.397 326 K HA 0.633 4.953 4.320 -0.000 0.000 0.253 326 K C -1.062 175.384 176.600 -0.256 0.000 0.932 326 K CA -0.691 55.521 56.287 -0.126 0.000 0.795 326 K CB 2.301 34.655 32.500 -0.243 0.000 1.159 326 K HN 0.479 nan 8.250 nan 0.000 0.424 327 I N 3.420 123.742 120.570 -0.415 0.000 2.406 327 I HA 0.384 4.554 4.170 -0.000 0.000 0.290 327 I C -0.871 175.009 176.117 -0.395 0.000 0.999 327 I CA -0.829 60.315 61.300 -0.259 0.000 1.124 327 I CB 0.809 38.637 38.000 -0.286 0.000 1.289 327 I HN 0.349 nan 8.210 nan 0.000 0.441 328 F N 6.311 126.255 119.950 -0.010 0.000 2.450 328 F HA 0.614 5.141 4.527 -0.000 0.000 0.332 328 F C -0.361 175.372 175.800 -0.112 0.000 1.093 328 F CA -0.852 57.111 58.000 -0.061 0.000 1.003 328 F CB 1.399 40.373 39.000 -0.044 0.000 1.151 328 F HN 0.148 nan 8.300 nan 0.000 0.474 329 L N 1.754 122.963 121.223 -0.024 0.000 2.386 329 L HA 0.598 4.938 4.340 -0.000 0.000 0.271 329 L C -0.356 176.339 176.870 -0.292 0.000 0.993 329 L CA -0.262 54.491 54.840 -0.145 0.000 0.819 329 L CB 2.366 44.383 42.059 -0.069 0.000 1.294 329 L HN 0.551 nan 8.230 nan 0.000 0.414 330 T N 1.991 116.222 114.554 -0.538 0.000 2.770 330 T HA 0.500 4.850 4.350 -0.000 0.000 0.283 330 T C -0.781 173.766 174.700 -0.254 0.000 0.988 330 T CA -0.303 61.416 62.100 -0.635 0.000 0.957 330 T CB 0.503 68.652 68.868 -1.199 0.000 0.930 330 T HN 0.535 nan 8.240 nan 0.000 0.443 331 c N 2.886 121.459 118.600 -0.046 0.000 2.382 331 c HA 0.498 5.068 4.570 -0.000 0.000 0.327 331 c C 2.045 176.186 174.090 0.085 0.000 1.250 331 c CA -0.769 55.637 56.329 0.128 0.000 1.707 331 c CB 0.977 43.651 42.510 0.273 0.000 2.272 331 c HN 1.032 nan 8.230 nan 0.000 0.506 332 T N -1.843 112.784 114.554 0.122 0.000 3.067 332 T HA 0.035 4.385 4.350 -0.000 0.000 0.257 332 T C 0.473 175.170 174.700 -0.005 0.000 1.105 332 T CA 0.669 62.816 62.100 0.078 0.000 1.104 332 T CB 0.192 69.129 68.868 0.114 0.000 0.925 332 T HN 0.677 nan 8.240 nan 0.000 0.498 333 K N 1.874 122.246 120.400 -0.046 0.000 2.507 333 K HA 0.262 4.582 4.320 -0.000 0.000 0.253 333 K C -0.990 175.363 176.600 -0.411 0.000 0.969 333 K CA -0.447 55.677 56.287 -0.271 0.000 0.908 333 K CB 0.885 33.084 32.500 -0.501 0.000 1.127 333 K HN 0.089 nan 8.250 nan 0.000 0.437 334 K N 5.510 125.543 120.400 -0.613 0.000 2.121 334 K HA 0.031 4.351 4.320 -0.000 0.000 0.235 334 K C 0.999 176.787 176.600 -1.354 0.000 1.200 334 K CA -0.179 55.291 56.287 -1.363 0.000 1.115 334 K CB -0.350 31.364 32.500 -1.310 0.000 1.474 334 K HN 0.493 nan 8.250 nan 0.000 0.295 335 F N -0.162 119.305 119.950 -0.805 0.000 2.236 335 F HA -0.193 4.334 4.527 -0.000 0.000 0.302 335 F C 1.520 177.139 175.800 -0.300 0.000 1.073 335 F CA 0.409 58.139 58.000 -0.450 0.000 1.336 335 F CB -0.790 38.129 39.000 -0.135 0.000 1.040 335 F HN 0.471 nan 8.300 nan 0.000 0.507 336 W N 1.206 122.126 121.300 -0.633 0.000 2.519 336 W HA 0.128 4.788 4.660 -0.000 0.000 0.266 336 W C 1.591 177.938 176.519 -0.287 0.000 1.253 336 W CA 0.834 57.960 57.345 -0.365 0.000 1.274 336 W CB -1.155 27.936 29.460 -0.615 0.000 1.114 336 W HN 0.080 nan 8.180 nan 0.000 0.596 337 E N 1.017 120.761 120.200 -0.759 0.000 2.204 337 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 337 E C 1.242 177.670 176.600 -0.287 0.000 0.989 337 E CA 1.325 57.409 56.400 -0.526 0.000 0.824 337 E CB -0.372 29.033 29.700 -0.491 0.000 0.756 337 E HN 0.301 nan 8.360 nan 0.000 0.477 338 D N 1.016 121.288 120.400 -0.214 0.000 2.384 338 D HA -0.108 4.532 4.640 -0.000 0.000 0.222 338 D C 0.746 177.030 176.300 -0.027 0.000 0.976 338 D CA 0.856 54.801 54.000 -0.092 0.000 0.915 338 D CB -0.022 40.747 40.800 -0.052 0.000 0.896 338 D HN 0.365 nan 8.370 nan 0.000 0.523 339 E N -0.662 119.524 120.200 -0.024 0.000 2.501 339 E HA 0.299 4.649 4.350 -0.000 0.000 0.200 339 E C 0.945 177.493 176.600 -0.087 0.000 1.016 339 E CA -0.036 56.376 56.400 0.020 0.000 0.921 339 E CB 0.815 30.614 29.700 0.165 0.000 1.034 339 E HN 0.110 nan 8.360 nan 0.000 0.468 340 G N 2.159 110.860 108.800 -0.165 0.000 2.160 340 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.251 340 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.251 340 G C 0.161 174.830 174.900 -0.386 0.000 1.008 340 G CA -0.052 44.918 45.100 -0.216 0.000 0.724 340 G HN 0.303 nan 8.290 nan 0.000 0.514 341 I N 1.816 122.109 120.570 -0.462 0.000 2.312 341 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 341 I C -0.041 175.773 176.117 -0.504 0.000 1.031 341 I CA -0.580 60.477 61.300 -0.406 0.000 1.293 341 I CB 0.683 38.459 38.000 -0.373 0.000 1.403 341 I HN 0.080 nan 8.210 nan 0.000 0.484 342 H N 5.579 124.642 119.070 -0.012 0.000 2.991 342 H HA 0.424 4.980 4.556 -0.000 0.000 0.304 342 H C 0.497 175.825 175.328 -0.000 0.000 1.040 342 H CA -0.074 55.990 56.048 0.026 0.000 1.410 342 H CB 1.454 31.216 29.762 -0.001 0.000 1.529 342 H HN 0.878 nan 8.280 nan 0.000 0.509 343 G N 2.041 110.899 108.800 0.098 0.000 2.642 343 G HA2 0.121 4.081 3.960 -0.000 0.000 0.231 343 G HA3 0.121 4.081 3.960 -0.000 0.000 0.231 343 G C 0.326 175.237 174.900 0.017 0.000 1.338 343 G CA 0.002 45.097 45.100 -0.008 0.000 0.883 343 G HN 1.403 nan 8.290 nan 0.000 0.570 344 G N -1.188 107.581 108.800 -0.051 0.000 2.750 344 G HA2 0.419 4.379 3.960 -0.000 0.000 0.228 344 G HA3 0.419 4.379 3.960 -0.000 0.000 0.228 344 G C -0.124 174.784 174.900 0.013 0.000 1.367 344 G CA 1.256 46.348 45.100 -0.012 0.000 0.871 344 G HN 2.508 nan 8.290 nan 0.000 0.560 345 K N -1.968 118.392 120.400 -0.066 0.000 2.533 345 K HA 0.791 5.111 4.320 -0.000 0.000 0.272 345 K C -0.801 175.745 176.600 -0.091 0.000 0.985 345 K CA -0.740 55.395 56.287 -0.254 0.000 0.876 345 K CB 1.691 33.705 32.500 -0.809 0.000 1.452 345 K HN 0.706 nan 8.250 nan 0.000 0.439 346 S N 0.436 116.087 115.700 -0.082 0.000 2.537 346 S HA 0.511 4.981 4.470 -0.000 0.000 0.301 346 S C -0.985 173.526 174.600 -0.149 0.000 1.092 346 S CA -0.627 57.551 58.200 -0.035 0.000 1.048 346 S CB 1.733 65.036 63.200 0.172 0.000 1.053 346 S HN 0.550 nan 8.310 nan 0.000 0.501 347 T N 1.989 116.394 114.554 -0.249 0.000 2.829 347 T HA 0.701 5.051 4.350 -0.000 0.000 0.280 347 T C -0.231 174.395 174.700 -0.123 0.000 0.999 347 T CA -0.517 61.439 62.100 -0.241 0.000 0.983 347 T CB 1.698 70.451 68.868 -0.192 0.000 0.968 347 T HN 0.558 nan 8.240 nan 0.000 0.446 348 T N 0.537 114.960 114.554 -0.219 0.000 2.843 348 T HA 0.409 4.759 4.350 -0.000 0.000 0.302 348 T C -0.754 173.861 174.700 -0.142 0.000 1.232 348 T CA -0.736 61.337 62.100 -0.045 0.000 1.009 348 T CB 1.495 70.398 68.868 0.059 0.000 1.254 348 T HN 0.598 nan 8.240 nan 0.000 0.504 349 D N 1.785 122.158 120.400 -0.045 0.000 2.368 349 D HA 0.222 4.862 4.640 -0.000 0.000 0.218 349 D C 0.678 176.924 176.300 -0.091 0.000 1.112 349 D CA -0.151 53.800 54.000 -0.082 0.000 0.834 349 D CB -0.232 40.540 40.800 -0.047 0.000 0.953 349 D HN 0.372 nan 8.370 nan 0.000 0.505 350 L N 0.041 121.230 121.223 -0.058 0.000 2.468 350 L HA 0.250 4.590 4.340 -0.000 0.000 0.254 350 L C -1.116 175.654 176.870 -0.167 0.000 1.171 350 L CA -2.010 52.783 54.840 -0.078 0.000 0.809 350 L CB 0.602 42.660 42.059 -0.000 0.000 1.155 350 L HN -0.276 nan 8.230 nan 0.000 0.473 351 P HA -0.161 nan 4.420 nan 0.000 0.217 351 P C 1.366 178.688 177.300 0.038 0.000 1.148 351 P CA 1.198 64.093 63.100 -0.342 0.000 0.834 351 P CB 0.218 31.597 31.700 -0.536 0.000 0.783 352 S N -1.601 114.146 115.700 0.077 0.000 2.423 352 S HA -0.121 4.349 4.470 -0.000 0.000 0.231 352 S C 1.220 175.809 174.600 -0.019 0.000 1.014 352 S CA 0.728 58.983 58.200 0.092 0.000 0.965 352 S CB -0.399 62.810 63.200 0.015 0.000 0.785 352 S HN 0.013 nan 8.310 nan 0.000 0.495 353 R N -0.917 119.479 120.500 -0.173 0.000 1.258 353 R HA -0.220 4.120 4.340 -0.000 0.000 0.031 353 R C -0.623 175.144 176.300 -0.889 0.000 0.958 353 R CA 2.071 57.873 56.100 -0.497 0.000 1.916 353 R CB -1.421 28.673 30.300 -0.343 0.000 0.240 353 R HN 0.489 nan 8.270 nan 0.000 0.707 354 F N 0.387 120.308 119.950 -0.048 0.000 2.562 354 F HA 0.500 5.027 4.527 -0.000 0.000 0.319 354 F C 0.050 175.776 175.800 -0.124 0.000 1.154 354 F CA -0.890 57.038 58.000 -0.119 0.000 0.931 354 F CB 1.546 40.505 39.000 -0.068 0.000 1.198 354 F HN -0.140 nan 8.300 nan 0.000 0.444 355 I N 4.348 124.834 120.570 -0.139 0.000 2.354 355 I HA 0.241 4.411 4.170 -0.000 0.000 0.286 355 I C -0.810 174.947 176.117 -0.600 0.000 1.007 355 I CA -0.976 60.147 61.300 -0.295 0.000 1.167 355 I CB 0.634 38.438 38.000 -0.327 0.000 1.320 355 I HN 0.480 nan 8.210 nan 0.000 0.458 356 Y N 5.905 125.944 120.300 -0.436 0.000 2.320 356 Y HA 0.392 4.942 4.550 -0.000 0.000 0.334 356 Y C -0.148 175.320 175.900 -0.721 0.000 1.055 356 Y CA -0.227 57.613 58.100 -0.433 0.000 1.143 356 Y CB 1.095 39.478 38.460 -0.129 0.000 1.193 356 Y HN 0.336 nan 8.280 nan 0.000 0.477 357 Y N 4.102 124.258 120.300 -0.240 0.000 2.361 357 Y HA 0.362 4.912 4.550 -0.000 0.000 0.332 357 Y C -2.009 173.705 175.900 -0.309 0.000 1.101 357 Y CA -3.055 54.752 58.100 -0.487 0.000 1.137 357 Y CB 0.490 38.613 38.460 -0.563 0.000 1.207 357 Y HN 0.426 nan 8.280 nan 0.000 0.463 358 P HA -0.022 nan 4.420 nan 0.000 0.267 358 P C -0.406 176.797 177.300 -0.162 0.000 1.200 358 P CA 0.120 63.096 63.100 -0.207 0.000 0.772 358 P CB 1.022 32.584 31.700 -0.230 0.000 0.855 359 N N 0.282 118.847 118.700 -0.225 0.000 2.205 359 N HA 0.032 4.772 4.740 -0.000 0.000 0.201 359 N C 0.378 175.896 175.510 0.014 0.000 1.128 359 N CA 0.151 53.162 53.050 -0.066 0.000 0.867 359 N CB 0.233 38.704 38.487 -0.026 0.000 0.996 359 N HN 0.657 nan 8.380 nan 0.000 0.503 360 H N -1.484 117.572 119.070 -0.023 0.000 2.865 360 H HA 0.451 5.007 4.556 -0.000 0.000 0.372 360 H C -0.882 174.329 175.328 -0.195 0.000 1.173 360 H CA -0.668 55.311 56.048 -0.114 0.000 1.147 360 H CB 1.020 30.679 29.762 -0.171 0.000 1.805 360 H HN -0.227 nan 8.280 nan 0.000 0.553 361 N N 0.357 118.992 118.700 -0.107 0.000 2.404 361 N HA 0.360 5.100 4.740 -0.000 0.000 0.297 361 N C -1.165 174.217 175.510 -0.214 0.000 1.163 361 N CA -0.344 52.646 53.050 -0.100 0.000 0.864 361 N CB 1.892 40.375 38.487 -0.007 0.000 1.247 361 N HN 0.277 nan 8.380 nan 0.000 0.510 362 F N -0.302 119.731 119.950 0.139 0.000 2.546 362 F HA 0.290 4.817 4.527 -0.000 0.000 0.320 362 F C 1.832 177.701 175.800 0.116 0.000 1.076 362 F CA -0.638 57.454 58.000 0.154 0.000 0.928 362 F CB 1.534 40.642 39.000 0.179 0.000 1.189 362 F HN 0.368 nan 8.300 nan 0.000 0.465 363 T N -0.404 114.346 114.554 0.326 0.000 2.699 363 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 363 T C 2.007 176.818 174.700 0.184 0.000 1.036 363 T CA 2.084 64.305 62.100 0.202 0.000 1.147 363 T CB -0.341 68.631 68.868 0.173 0.000 0.862 363 T HN 0.645 nan 8.240 nan 0.000 0.446 364 S N 0.597 116.430 115.700 0.221 0.000 2.507 364 S HA 0.200 4.670 4.470 -0.000 0.000 0.235 364 S C 1.984 176.677 174.600 0.157 0.000 0.988 364 S CA 0.797 59.099 58.200 0.170 0.000 0.944 364 S CB -0.644 62.660 63.200 0.173 0.000 0.762 364 S HN 0.825 nan 8.310 nan 0.000 0.526 365 G N 0.555 109.468 108.800 0.188 0.000 2.179 365 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 365 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 365 G C 0.223 175.197 174.900 0.125 0.000 0.977 365 G CA 0.255 45.434 45.100 0.132 0.000 0.641 365 G HN 1.539 nan 8.290 nan 0.000 0.533 366 V N -1.086 118.932 119.914 0.174 0.000 2.953 366 V HA 0.922 5.042 4.120 -0.000 0.000 0.304 366 V C 0.778 176.997 176.094 0.208 0.000 1.073 366 V CA 0.037 62.406 62.300 0.115 0.000 1.064 366 V CB 1.739 33.570 31.823 0.013 0.000 1.047 366 V HN 1.399 nan 8.190 nan 0.000 0.478 367 G N 1.008 109.905 108.800 0.163 0.000 2.524 367 G HA2 0.620 4.580 3.960 -0.000 0.000 0.310 367 G HA3 0.620 4.580 3.960 -0.000 0.000 0.310 367 G C -1.370 173.620 174.900 0.150 0.000 1.279 367 G CA -0.717 44.562 45.100 0.298 0.000 0.974 367 G HN 0.981 nan 8.290 nan 0.000 0.484 368 V N 2.837 122.792 119.914 0.069 0.000 2.378 368 V HA 0.395 4.515 4.120 -0.000 0.000 0.288 368 V C 0.110 176.117 176.094 -0.146 0.000 1.016 368 V CA -0.538 61.713 62.300 -0.081 0.000 0.840 368 V CB 1.032 32.842 31.823 -0.023 0.000 0.994 368 V HN 0.602 nan 8.190 nan 0.000 0.431 369 I N 5.484 125.902 120.570 -0.253 0.000 2.577 369 I HA 0.522 4.692 4.170 -0.000 0.000 0.300 369 I C -0.414 175.546 176.117 -0.262 0.000 0.990 369 I CA -0.436 60.619 61.300 -0.409 0.000 1.283 369 I CB 1.483 39.209 38.000 -0.457 0.000 1.411 369 I HN 0.422 nan 8.210 nan 0.000 0.515 370 I N 3.655 124.045 120.570 -0.300 0.000 2.569 370 I HA 0.468 4.638 4.170 -0.000 0.000 0.290 370 I C -0.432 175.571 176.117 -0.189 0.000 1.088 370 I CA -0.680 60.434 61.300 -0.310 0.000 1.047 370 I CB 2.051 39.877 38.000 -0.291 0.000 1.237 370 I HN 0.557 nan 8.210 nan 0.000 0.421 371 A N 5.650 128.344 122.820 -0.210 0.000 2.260 371 A HA 0.662 4.982 4.320 -0.000 0.000 0.314 371 A C -1.528 176.075 177.584 0.031 0.000 1.257 371 A CA -0.265 51.727 52.037 -0.075 0.000 0.871 371 A CB 0.534 19.453 19.000 -0.135 0.000 1.166 371 A HN 0.592 nan 8.150 nan 0.000 0.522 372 Y N 1.944 122.275 120.300 0.053 0.000 2.346 372 Y HA 0.621 5.171 4.550 -0.000 0.000 0.332 372 Y C 0.036 176.063 175.900 0.212 0.000 0.985 372 Y CA -1.029 57.121 58.100 0.083 0.000 1.112 372 Y CB 1.525 40.023 38.460 0.062 0.000 1.170 372 Y HN 0.848 nan 8.280 nan 0.000 0.447 373 G N 5.939 114.768 108.800 0.049 0.000 2.574 373 G HA2 0.682 4.642 3.960 -0.000 0.000 0.299 373 G HA3 0.682 4.642 3.960 -0.000 0.000 0.299 373 G C -1.548 173.294 174.900 -0.097 0.000 1.298 373 G CA -0.962 44.114 45.100 -0.039 0.000 0.952 373 G HN 0.892 nan 8.290 nan 0.000 0.477 374 I N -1.728 118.788 120.570 -0.090 0.000 3.042 374 I HA 0.901 5.071 4.170 -0.000 0.000 0.310 374 I C 0.853 177.001 176.117 0.051 0.000 1.117 374 I CA -0.358 60.929 61.300 -0.023 0.000 1.003 374 I CB 1.926 39.853 38.000 -0.122 0.000 1.228 374 I HN 1.457 nan 8.210 nan 0.000 0.443 375 G N 2.676 111.534 108.800 0.095 0.000 2.574 375 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.286 375 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.286 375 G C 0.317 175.325 174.900 0.181 0.000 1.212 375 G CA 0.779 45.971 45.100 0.152 0.000 0.979 375 G HN 0.831 nan 8.290 nan 0.000 0.557 376 D N 0.881 121.398 120.400 0.194 0.000 2.264 376 D HA 0.007 4.647 4.640 -0.000 0.000 0.208 376 D C 1.985 178.388 176.300 0.171 0.000 0.966 376 D CA 1.195 55.305 54.000 0.183 0.000 0.864 376 D CB -0.256 40.651 40.800 0.178 0.000 0.933 376 D HN 0.400 nan 8.370 nan 0.000 0.499 377 D N 0.532 121.019 120.400 0.145 0.000 2.117 377 D HA -0.095 4.545 4.640 -0.000 0.000 0.197 377 D C 2.011 178.475 176.300 0.274 0.000 0.987 377 D CA 1.001 55.090 54.000 0.148 0.000 0.829 377 D CB -0.060 40.805 40.800 0.108 0.000 0.961 377 D HN 0.140 nan 8.370 nan 0.000 0.460 378 A N 1.157 124.135 122.820 0.263 0.000 1.929 378 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 378 A C 1.955 179.737 177.584 0.330 0.000 1.176 378 A CA 1.025 53.263 52.037 0.335 0.000 0.628 378 A CB -0.371 18.780 19.000 0.251 0.000 0.816 378 A HN 0.096 nan 8.150 nan 0.000 0.444 379 N N -0.598 118.246 118.700 0.240 0.000 2.205 379 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 379 N C 1.350 176.947 175.510 0.145 0.000 1.015 379 N CA 1.443 54.602 53.050 0.181 0.000 0.862 379 N CB -0.668 37.911 38.487 0.152 0.000 0.986 379 N HN 0.558 nan 8.380 nan 0.000 0.429 380 F N 0.765 120.716 119.950 0.001 0.000 2.154 380 F HA -0.193 4.334 4.527 -0.000 0.000 0.301 380 F C 1.544 177.204 175.800 -0.235 0.000 1.087 380 F CA 1.392 59.291 58.000 -0.169 0.000 1.274 380 F CB -0.307 38.488 39.000 -0.341 0.000 1.009 380 F HN -0.091 nan 8.300 nan 0.000 0.485 381 F N -0.035 119.934 119.950 0.031 0.000 2.743 381 F HA 0.056 4.583 4.527 -0.000 0.000 0.297 381 F C 2.393 178.161 175.800 -0.053 0.000 1.131 381 F CA 0.713 58.686 58.000 -0.044 0.000 1.426 381 F CB -0.952 38.111 39.000 0.106 0.000 1.116 381 F HN 0.007 nan 8.300 nan 0.000 0.583 382 Q N 0.776 120.654 119.800 0.130 0.000 2.096 382 Q HA -0.253 4.087 4.340 -0.000 0.000 0.208 382 Q C 2.155 178.173 176.000 0.030 0.000 0.993 382 Q CA 2.180 58.033 55.803 0.083 0.000 0.862 382 Q CB -0.197 28.582 28.738 0.068 0.000 0.915 382 Q HN 0.379 nan 8.270 nan 0.000 0.416 383 A N -0.471 122.333 122.820 -0.027 0.000 2.218 383 A HA 0.202 4.522 4.320 -0.000 0.000 0.209 383 A C 0.466 178.029 177.584 -0.035 0.000 1.168 383 A CA -0.132 51.883 52.037 -0.036 0.000 0.804 383 A CB 0.045 19.009 19.000 -0.061 0.000 0.834 383 A HN 0.285 nan 8.150 nan 0.000 0.482 384 L N 1.296 122.500 121.223 -0.030 0.000 2.375 384 L HA 0.325 4.665 4.340 -0.000 0.000 0.271 384 L C -0.116 176.786 176.870 0.052 0.000 1.107 384 L CA -0.967 53.868 54.840 -0.008 0.000 0.806 384 L CB 0.832 42.880 42.059 -0.017 0.000 1.146 384 L HN 0.380 nan 8.230 nan 0.000 0.447 385 D N 0.151 120.580 120.400 0.049 0.000 2.383 385 D HA 0.012 4.652 4.640 -0.000 0.000 0.248 385 D C 0.827 177.204 176.300 0.127 0.000 1.170 385 D CA -0.504 53.549 54.000 0.088 0.000 0.977 385 D CB 0.604 41.448 40.800 0.073 0.000 1.120 385 D HN 0.391 nan 8.370 nan 0.000 0.481 386 F N 0.639 120.600 119.950 0.019 0.000 2.063 386 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 386 F C 2.164 177.985 175.800 0.035 0.000 1.109 386 F CA 2.043 60.056 58.000 0.021 0.000 1.212 386 F CB -0.351 38.656 39.000 0.011 0.000 0.973 386 F HN 0.352 nan 8.300 nan 0.000 0.480 387 K N 0.853 121.198 120.400 -0.092 0.000 2.044 387 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 387 K C 1.826 178.330 176.600 -0.160 0.000 1.049 387 K CA 2.276 58.462 56.287 -0.169 0.000 0.927 387 K CB -0.887 31.602 32.500 -0.018 0.000 0.713 387 K HN 0.318 nan 8.250 nan 0.000 0.443 388 D N -0.416 119.945 120.400 -0.065 0.000 2.144 388 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 388 D C 2.022 178.335 176.300 0.021 0.000 0.984 388 D CA 1.290 55.279 54.000 -0.018 0.000 0.834 388 D CB -0.408 40.395 40.800 0.004 0.000 0.955 388 D HN 0.266 nan 8.370 nan 0.000 0.465 389 C N 1.191 120.497 119.300 0.009 0.000 2.462 389 C HA -0.007 4.453 4.460 -0.000 0.000 0.278 389 C C 2.981 177.927 174.990 -0.074 0.000 1.253 389 C CA 0.726 59.804 59.018 0.100 0.000 1.713 389 C CB -0.989 26.759 27.740 0.012 0.000 2.049 389 C HN 0.366 nan 8.230 nan 0.000 0.477 390 A N 0.919 123.532 122.820 -0.345 0.000 1.892 390 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 390 A C 1.750 179.243 177.584 -0.151 0.000 1.188 390 A CA 2.416 54.244 52.037 -0.348 0.000 0.631 390 A CB -0.732 17.905 19.000 -0.605 0.000 0.822 390 A HN 0.556 nan 8.150 nan 0.000 0.447 391 D N -0.133 120.200 120.400 -0.112 0.000 2.123 391 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 391 D C 1.834 178.134 176.300 0.000 0.000 0.992 391 D CA 1.168 55.140 54.000 -0.047 0.000 0.833 391 D CB -0.318 40.463 40.800 -0.033 0.000 0.954 391 D HN 0.551 nan 8.370 nan 0.000 0.455 392 I N 0.150 120.759 120.570 0.064 0.000 2.202 392 I HA -0.219 3.951 4.170 -0.000 0.000 0.242 392 I C 2.376 178.547 176.117 0.090 0.000 1.091 392 I CA 0.558 61.932 61.300 0.123 0.000 1.368 392 I CB -0.141 38.035 38.000 0.293 0.000 1.058 392 I HN -0.103 nan 8.210 nan 0.000 0.410 393 V N 1.206 121.165 119.914 0.075 0.000 2.332 393 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 393 V C 2.308 178.394 176.094 -0.013 0.000 1.055 393 V CA 1.875 64.185 62.300 0.016 0.000 1.038 393 V CB -0.418 31.373 31.823 -0.053 0.000 0.651 393 V HN 0.340 nan 8.190 nan 0.000 0.450 394 I N 0.313 120.867 120.570 -0.026 0.000 2.286 394 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 394 I C 2.365 178.450 176.117 -0.053 0.000 1.115 394 I CA 1.294 62.573 61.300 -0.036 0.000 1.392 394 I CB -0.459 37.516 38.000 -0.043 0.000 1.065 394 I HN 0.377 nan 8.210 nan 0.000 0.418 395 N N 0.805 119.479 118.700 -0.045 0.000 2.142 395 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 395 N C 1.417 176.871 175.510 -0.093 0.000 1.023 395 N CA 1.350 54.362 53.050 -0.063 0.000 0.852 395 N CB -0.382 38.082 38.487 -0.038 0.000 0.998 395 N HN 0.313 nan 8.380 nan 0.000 0.424 396 D N 1.086 121.443 120.400 -0.072 0.000 2.097 396 D HA -0.069 4.571 4.640 -0.000 0.000 0.195 396 D C 2.211 178.424 176.300 -0.145 0.000 0.989 396 D CA 0.510 54.443 54.000 -0.112 0.000 0.827 396 D CB -0.396 40.372 40.800 -0.054 0.000 0.966 396 D HN 0.199 nan 8.370 nan 0.000 0.456 397 L N 0.341 121.527 121.223 -0.062 0.000 2.083 397 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 397 L C 2.536 179.364 176.870 -0.070 0.000 1.083 397 L CA 0.889 55.738 54.840 0.015 0.000 0.752 397 L CB -0.403 41.698 42.059 0.071 0.000 0.899 397 L HN 0.010 nan 8.230 nan 0.000 0.433 398 S N 0.045 115.664 115.700 -0.135 0.000 2.370 398 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 398 S C 1.949 176.408 174.600 -0.235 0.000 1.033 398 S CA 1.302 59.397 58.200 -0.174 0.000 1.011 398 S CB -0.127 62.984 63.200 -0.149 0.000 0.852 398 S HN 0.303 nan 8.310 nan 0.000 0.457 399 L N 0.492 121.523 121.223 -0.320 0.000 2.131 399 L HA 0.056 4.396 4.340 -0.000 0.000 0.206 399 L C 2.256 178.656 176.870 -0.784 0.000 1.087 399 L CA 0.850 55.376 54.840 -0.522 0.000 0.767 399 L CB -0.371 41.306 42.059 -0.637 0.000 0.917 399 L HN 0.343 nan 8.230 nan 0.000 0.441 400 I N -1.071 119.077 120.570 -0.703 0.000 2.286 400 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 400 I C 2.036 177.649 176.117 -0.840 0.000 1.104 400 I CA 1.172 62.040 61.300 -0.720 0.000 1.397 400 I CB -0.257 37.520 38.000 -0.372 0.000 1.072 400 I HN 0.320 nan 8.210 nan 0.000 0.417 401 H N 0.671 119.464 119.070 -0.463 0.000 2.586 401 H HA 0.190 4.746 4.556 -0.000 0.000 0.273 401 H C -0.007 175.126 175.328 -0.324 0.000 0.997 401 H CA -0.019 55.809 56.048 -0.367 0.000 1.177 401 H CB 0.390 30.135 29.762 -0.028 0.000 1.471 401 H HN 0.351 nan 8.280 nan 0.000 0.538 402 Q N 0.919 120.557 119.800 -0.269 0.000 2.443 402 Q HA -0.169 4.171 4.340 -0.000 0.000 0.362 402 Q C -1.078 174.846 176.000 -0.126 0.000 1.423 402 Q CA 0.347 56.031 55.803 -0.200 0.000 1.037 402 Q CB -0.978 27.645 28.738 -0.192 0.000 1.208 402 Q HN 0.429 nan 8.270 nan 0.000 0.334 403 L N 1.160 122.295 121.223 -0.147 0.000 2.409 403 L HA 0.590 4.930 4.340 -0.000 0.000 0.262 403 L C -2.303 174.471 176.870 -0.160 0.000 0.992 403 L CA -2.320 52.429 54.840 -0.151 0.000 0.817 403 L CB 2.157 44.074 42.059 -0.237 0.000 1.350 403 L HN 0.064 nan 8.230 nan 0.000 0.411 404 P HA 0.114 nan 4.420 nan 0.000 0.268 404 P C 0.164 177.364 177.300 -0.168 0.000 1.205 404 P CA -0.257 62.761 63.100 -0.138 0.000 0.771 404 P CB 0.735 32.361 31.700 -0.123 0.000 0.858 405 R N 3.102 123.519 120.500 -0.137 0.000 2.103 405 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 405 R C 1.717 177.927 176.300 -0.149 0.000 1.142 405 R CA 1.533 57.554 56.100 -0.131 0.000 0.960 405 R CB -0.316 29.927 30.300 -0.095 0.000 0.858 405 R HN 0.473 nan 8.270 nan 0.000 0.439 406 E N 0.568 120.681 120.200 -0.144 0.000 2.153 406 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 406 E C 1.594 178.048 176.600 -0.244 0.000 0.988 406 E CA 1.339 57.647 56.400 -0.153 0.000 0.811 406 E CB 0.071 29.699 29.700 -0.120 0.000 0.746 406 E HN 0.521 nan 8.360 nan 0.000 0.466 407 E N -0.064 119.944 120.200 -0.319 0.000 2.076 407 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 407 E C 2.295 178.394 176.600 -0.835 0.000 0.979 407 E CA 0.434 56.485 56.400 -0.581 0.000 0.807 407 E CB 0.037 29.459 29.700 -0.464 0.000 0.761 407 E HN 0.233 nan 8.360 nan 0.000 0.454 408 I N 1.019 121.307 120.570 -0.470 0.000 2.226 408 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 408 I C 2.377 178.407 176.117 -0.145 0.000 1.100 408 I CA 1.156 62.286 61.300 -0.284 0.000 1.374 408 I CB -0.266 37.608 38.000 -0.209 0.000 1.057 408 I HN 0.176 nan 8.210 nan 0.000 0.413 409 Q N -0.085 119.623 119.800 -0.153 0.000 2.364 409 Q HA -0.145 4.195 4.340 -0.000 0.000 0.209 409 Q C 1.981 177.953 176.000 -0.046 0.000 0.977 409 Q CA 1.525 57.293 55.803 -0.058 0.000 0.885 409 Q CB -0.062 28.641 28.738 -0.060 0.000 0.941 409 Q HN 0.493 nan 8.270 nan 0.000 0.464 410 T N -0.311 114.134 114.554 -0.181 0.000 3.009 410 T HA 0.004 4.354 4.350 -0.000 0.000 0.258 410 T C 0.930 175.682 174.700 0.087 0.000 1.063 410 T CA 0.539 62.568 62.100 -0.119 0.000 1.139 410 T CB 0.043 68.751 68.868 -0.266 0.000 0.890 410 T HN 0.164 nan 8.240 nan 0.000 0.471 411 F N 1.168 121.165 119.950 0.078 0.000 2.387 411 F HA 0.281 4.808 4.527 -0.000 0.000 0.294 411 F C 1.317 177.214 175.800 0.161 0.000 1.093 411 F CA -1.315 56.757 58.000 0.120 0.000 1.420 411 F CB -0.653 38.452 39.000 0.175 0.000 1.086 411 F HN 0.178 nan 8.300 nan 0.000 0.531 412 c N -1.697 117.107 118.600 0.340 0.000 3.161 412 c HA 0.757 5.327 4.570 -0.000 0.000 0.330 412 c C -0.894 173.357 174.090 0.268 0.000 1.396 412 c CA -1.183 55.306 56.329 0.267 0.000 1.536 412 c CB 1.439 44.094 42.510 0.242 0.000 1.978 412 c HN 0.383 nan 8.230 nan 0.000 0.454 413 Y N -2.102 118.250 120.300 0.088 0.000 2.519 413 Y HA 0.631 5.181 4.550 -0.000 0.000 0.336 413 Y C -3.395 172.568 175.900 0.105 0.000 1.089 413 Y CA -2.658 55.493 58.100 0.085 0.000 1.025 413 Y CB 0.409 38.925 38.460 0.092 0.000 1.318 413 Y HN 0.399 nan 8.280 nan 0.000 0.452 414 P HA 0.132 nan 4.420 nan 0.000 0.269 414 P C 0.315 177.798 177.300 0.306 0.000 1.252 414 P CA 0.417 63.625 63.100 0.181 0.000 0.780 414 P CB 1.186 32.960 31.700 0.124 0.000 0.829 415 S N 3.246 118.949 115.700 0.005 0.000 2.468 415 S HA 0.300 4.770 4.470 -0.000 0.000 0.226 415 S C 0.563 175.166 174.600 0.006 0.000 1.051 415 S CA 0.263 58.459 58.200 -0.005 0.000 0.943 415 S CB -0.102 62.936 63.200 -0.269 0.000 0.810 415 S HN 0.395 nan 8.310 nan 0.000 0.509 416 M N -0.003 119.622 119.600 0.042 0.000 2.682 416 M HA 0.681 5.161 4.480 -0.000 0.000 0.272 416 M C -2.321 174.091 176.300 0.187 0.000 1.232 416 M CA -0.711 54.492 55.300 -0.161 0.000 0.849 416 M CB 2.196 34.534 32.600 -0.436 0.000 1.695 416 M HN 0.326 nan 8.290 nan 0.000 0.481 417 I N 1.766 122.352 120.570 0.027 0.000 2.827 417 I HA 0.667 4.837 4.170 -0.000 0.000 0.298 417 I C -2.150 173.987 176.117 0.034 0.000 1.235 417 I CA -0.271 61.134 61.300 0.175 0.000 1.021 417 I CB 2.188 40.321 38.000 0.221 0.000 1.259 417 I HN 0.858 nan 8.210 nan 0.000 0.427 418 Q N 5.782 125.613 119.800 0.052 0.000 2.295 418 Q HA 0.427 4.767 4.340 -0.000 0.000 0.259 418 Q C -2.006 173.870 176.000 -0.207 0.000 0.966 418 Q CA -0.520 55.188 55.803 -0.158 0.000 0.763 418 Q CB 1.588 30.243 28.738 -0.138 0.000 1.283 418 Q HN 0.502 nan 8.270 nan 0.000 0.445 419 K N 3.570 123.822 120.400 -0.247 0.000 2.347 419 K HA 0.216 4.537 4.320 -0.000 0.000 0.262 419 K C -0.223 176.260 176.600 -0.195 0.000 1.052 419 K CA -0.287 55.931 56.287 -0.114 0.000 0.946 419 K CB 0.637 33.124 32.500 -0.022 0.000 1.220 419 K HN 0.670 nan 8.250 nan 0.000 0.450 420 W N 1.043 122.383 121.300 0.067 0.000 2.421 420 W HA -0.148 4.512 4.660 -0.000 0.000 0.270 420 W C 1.779 178.308 176.519 0.016 0.000 1.233 420 W CA 0.720 58.091 57.345 0.044 0.000 1.226 420 W CB 0.160 29.654 29.460 0.056 0.000 1.121 420 W HN 0.492 nan 8.180 nan 0.000 0.579 421 S N 0.191 116.004 115.700 0.187 0.000 2.447 421 S HA -0.040 4.430 4.470 -0.000 0.000 0.233 421 S C 1.437 176.059 174.600 0.037 0.000 1.006 421 S CA 0.686 58.947 58.200 0.103 0.000 0.957 421 S CB -0.245 63.013 63.200 0.096 0.000 0.773 421 S HN 0.204 nan 8.310 nan 0.000 0.507 422 L N 1.085 122.312 121.223 0.006 0.000 2.700 422 L HA 0.265 4.605 4.340 -0.000 0.000 0.234 422 L C 0.058 176.883 176.870 -0.074 0.000 1.156 422 L CA -0.138 54.678 54.840 -0.040 0.000 0.946 422 L CB -0.154 41.875 42.059 -0.050 0.000 1.216 422 L HN 0.093 nan 8.230 nan 0.000 0.493 423 D N 1.158 121.534 120.400 -0.041 0.000 2.338 423 D HA 0.006 4.646 4.640 -0.000 0.000 0.255 423 D C 1.510 177.768 176.300 -0.071 0.000 1.237 423 D CA -0.161 53.816 54.000 -0.039 0.000 0.883 423 D CB 0.965 41.843 40.800 0.130 0.000 1.087 423 D HN 0.172 nan 8.370 nan 0.000 0.485 424 K N 2.454 122.730 120.400 -0.207 0.000 2.286 424 K HA -0.249 4.071 4.320 -0.000 0.000 0.203 424 K C 0.511 176.886 176.600 -0.376 0.000 1.045 424 K CA 1.349 57.433 56.287 -0.339 0.000 0.935 424 K CB -0.192 32.014 32.500 -0.490 0.000 0.737 424 K HN 0.477 nan 8.250 nan 0.000 0.460 425 Y N 0.659 120.970 120.300 0.017 0.000 2.396 425 Y HA 0.268 4.818 4.550 -0.000 0.000 0.292 425 Y C 2.778 178.684 175.900 0.009 0.000 1.128 425 Y CA 0.402 58.513 58.100 0.019 0.000 1.194 425 Y CB -0.417 38.062 38.460 0.033 0.000 1.124 425 Y HN 0.122 nan 8.280 nan 0.000 0.543 426 A N 0.052 122.982 122.820 0.182 0.000 1.898 426 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 426 A C 1.555 179.090 177.584 -0.082 0.000 1.181 426 A CA 1.802 53.886 52.037 0.077 0.000 0.620 426 A CB -0.654 18.451 19.000 0.175 0.000 0.819 426 A HN 0.507 nan 8.150 nan 0.000 0.442 427 M N -3.013 116.551 119.600 -0.060 0.000 2.856 427 M HA -0.200 4.280 4.480 -0.000 0.000 0.189 427 M C 0.403 176.558 176.300 -0.242 0.000 0.612 427 M CA 0.707 55.926 55.300 -0.135 0.000 0.673 427 M CB -2.109 30.400 32.600 -0.153 0.000 2.440 427 M HN 0.917 nan 8.290 nan 0.000 0.437 428 G N -1.749 106.923 108.800 -0.213 0.000 2.466 428 G HA2 0.546 4.506 3.960 -0.000 0.000 0.291 428 G HA3 0.546 4.506 3.960 -0.000 0.000 0.291 428 G C -0.020 174.890 174.900 0.017 0.000 1.460 428 G CA -0.292 44.664 45.100 -0.241 0.000 0.791 428 G HN 0.262 nan 8.290 nan 0.000 0.505 429 G N -0.887 108.009 108.800 0.160 0.000 2.670 429 G HA2 0.438 4.398 3.960 -0.000 0.000 0.219 429 G HA3 0.438 4.398 3.960 -0.000 0.000 0.219 429 G C 0.275 175.244 174.900 0.115 0.000 1.342 429 G CA 0.189 45.395 45.100 0.177 0.000 0.902 429 G HN 0.688 nan 8.290 nan 0.000 0.553 430 I N 1.102 121.742 120.570 0.117 0.000 2.436 430 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 430 I C -0.423 175.607 176.117 -0.144 0.000 1.010 430 I CA -0.589 60.703 61.300 -0.013 0.000 1.098 430 I CB 2.343 40.295 38.000 -0.080 0.000 1.266 430 I HN -0.009 nan 8.210 nan 0.000 0.434 431 T N 4.292 118.611 114.554 -0.392 0.000 2.871 431 T HA 0.120 4.470 4.350 -0.000 0.000 0.296 431 T C 0.007 174.345 174.700 -0.605 0.000 0.998 431 T CA 0.345 61.892 62.100 -0.922 0.000 1.162 431 T CB -0.081 68.187 68.868 -1.000 0.000 0.947 431 T HN 0.580 nan 8.240 nan 0.000 0.536 432 T N 4.581 118.869 114.554 -0.444 0.000 3.050 432 T HA 0.348 4.698 4.350 -0.000 0.000 0.310 432 T C -0.477 174.337 174.700 0.190 0.000 0.978 432 T CA -0.653 61.407 62.100 -0.067 0.000 1.013 432 T CB 0.240 69.140 68.868 0.054 0.000 1.000 432 T HN 0.277 nan 8.240 nan 0.000 0.447 433 F N 3.698 123.793 119.950 0.240 0.000 2.538 433 F HA 0.323 4.850 4.527 -0.000 0.000 0.371 433 F C 1.749 177.692 175.800 0.237 0.000 1.087 433 F CA -0.878 57.282 58.000 0.266 0.000 1.250 433 F CB 0.284 39.475 39.000 0.318 0.000 1.110 433 F HN 0.512 nan 8.300 nan 0.000 0.570 434 T N 1.547 116.375 114.554 0.456 0.000 2.881 434 T HA 0.491 4.841 4.350 -0.000 0.000 0.278 434 T C -2.753 172.105 174.700 0.264 0.000 0.982 434 T CA -2.535 59.756 62.100 0.319 0.000 0.989 434 T CB 1.281 70.302 68.868 0.255 0.000 1.058 434 T HN 0.151 nan 8.240 nan 0.000 0.529 435 P HA 0.058 nan 4.420 nan 0.000 0.263 435 P C -0.331 177.068 177.300 0.166 0.000 1.175 435 P CA 0.519 63.709 63.100 0.150 0.000 0.761 435 P CB -0.231 31.574 31.700 0.176 0.000 0.794 436 Y N -0.396 119.864 120.300 -0.068 0.000 4.545 436 Y HA -0.326 4.224 4.550 -0.000 0.000 0.306 436 Y C 1.926 177.583 175.900 -0.404 0.000 1.060 436 Y CA 1.578 59.496 58.100 -0.302 0.000 1.834 436 Y CB -2.175 36.026 38.460 -0.433 0.000 1.008 436 Y HN 0.450 nan 8.280 nan 0.000 0.436 437 Q N -0.396 119.334 119.800 -0.116 0.000 2.226 437 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 437 Q C 1.982 177.598 176.000 -0.639 0.000 0.975 437 Q CA 1.743 57.384 55.803 -0.269 0.000 0.866 437 Q CB -0.341 28.374 28.738 -0.039 0.000 0.915 437 Q HN 0.703 nan 8.270 nan 0.000 0.440 438 F N 2.429 122.005 119.950 -0.624 0.000 2.084 438 F HA -0.240 4.287 4.527 -0.000 0.000 0.296 438 F C 2.488 178.141 175.800 -0.247 0.000 1.111 438 F CA 1.898 59.612 58.000 -0.477 0.000 1.224 438 F CB -0.022 38.914 39.000 -0.107 0.000 0.991 438 F HN 0.034 nan 8.300 nan 0.000 0.471 439 Q N -1.318 118.281 119.800 -0.334 0.000 2.172 439 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 439 Q C 1.624 177.515 176.000 -0.181 0.000 0.964 439 Q CA 1.881 57.496 55.803 -0.313 0.000 0.855 439 Q CB -0.896 27.799 28.738 -0.072 0.000 0.918 439 Q HN 0.619 nan 8.270 nan 0.000 0.444 440 H N -1.652 117.159 119.070 -0.433 0.000 2.497 440 H HA 0.096 4.652 4.556 -0.000 0.000 0.282 440 H C 0.542 175.505 175.328 -0.607 0.000 1.003 440 H CA 0.381 56.076 56.048 -0.589 0.000 1.307 440 H CB 0.517 29.754 29.762 -0.875 0.000 1.437 440 H HN 0.233 nan 8.280 nan 0.000 0.544 441 F N -1.194 118.656 119.950 -0.167 0.000 2.752 441 F HA 0.147 4.674 4.527 -0.000 0.000 0.310 441 F C 2.269 177.977 175.800 -0.153 0.000 1.097 441 F CA -0.066 57.831 58.000 -0.173 0.000 1.238 441 F CB -0.122 38.775 39.000 -0.172 0.000 1.061 441 F HN -0.056 nan 8.300 nan 0.000 0.591 442 S N 0.813 116.445 115.700 -0.113 0.000 2.378 442 S HA -0.242 4.228 4.470 -0.000 0.000 0.221 442 S C 2.025 176.629 174.600 0.007 0.000 1.037 442 S CA 2.261 60.431 58.200 -0.049 0.000 1.069 442 S CB -0.293 62.661 63.200 -0.410 0.000 1.006 442 S HN 0.473 nan 8.310 nan 0.000 0.423 443 E N 0.260 120.416 120.200 -0.074 0.000 2.085 443 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 443 E C 2.340 178.942 176.600 0.004 0.000 0.994 443 E CA 1.216 57.602 56.400 -0.023 0.000 0.801 443 E CB -0.377 29.296 29.700 -0.045 0.000 0.743 443 E HN 0.508 nan 8.360 nan 0.000 0.453 444 S N 0.572 116.277 115.700 0.008 0.000 2.383 444 S HA -0.125 4.345 4.470 -0.000 0.000 0.229 444 S C 1.959 176.542 174.600 -0.027 0.000 1.030 444 S CA 0.784 58.988 58.200 0.007 0.000 1.002 444 S CB -0.099 63.138 63.200 0.061 0.000 0.829 444 S HN 0.171 nan 8.310 nan 0.000 0.467 445 L N 0.770 122.007 121.223 0.024 0.000 2.109 445 L HA -0.039 4.301 4.340 -0.000 0.000 0.207 445 L C 2.731 179.577 176.870 -0.040 0.000 1.086 445 L CA 1.648 56.491 54.840 0.005 0.000 0.760 445 L CB -0.672 41.475 42.059 0.147 0.000 0.910 445 L HN 0.505 nan 8.230 nan 0.000 0.437 446 T N -3.011 111.559 114.554 0.027 0.000 3.081 446 T HA 0.287 4.637 4.350 -0.000 0.000 0.250 446 T C 0.843 175.597 174.700 0.090 0.000 1.100 446 T CA 0.153 62.294 62.100 0.067 0.000 1.038 446 T CB -0.109 68.813 68.868 0.090 0.000 0.962 446 T HN 0.172 nan 8.240 nan 0.000 0.516 447 A N 2.178 125.017 122.820 0.032 0.000 2.445 447 A HA 0.569 4.889 4.320 -0.000 0.000 0.242 447 A C 0.811 178.446 177.584 0.085 0.000 1.075 447 A CA -0.261 51.800 52.037 0.039 0.000 0.777 447 A CB 0.128 19.125 19.000 -0.005 0.000 1.013 447 A HN 0.709 nan 8.150 nan 0.000 0.493 448 S N 0.386 116.125 115.700 0.064 0.000 2.745 448 S HA 0.779 5.249 4.470 -0.000 0.000 0.292 448 S C 0.189 174.785 174.600 -0.006 0.000 1.133 448 S CA 0.021 58.235 58.200 0.024 0.000 0.998 448 S CB 1.061 64.027 63.200 -0.390 0.000 1.087 448 S HN 1.915 nan 8.310 nan 0.000 0.551 449 V N -2.133 117.769 119.914 -0.020 0.000 3.182 449 V HA 0.604 4.724 4.120 -0.000 0.000 0.311 449 V C -0.612 175.446 176.094 -0.060 0.000 1.221 449 V CA -1.096 61.202 62.300 -0.003 0.000 1.060 449 V CB 0.816 32.679 31.823 0.066 0.000 1.164 449 V HN 0.839 nan 8.190 nan 0.000 0.466 450 D N 0.593 120.992 120.400 -0.002 0.000 2.368 450 D HA 0.249 4.889 4.640 -0.000 0.000 0.268 450 D C 1.029 177.350 176.300 0.034 0.000 1.298 450 D CA 0.920 54.931 54.000 0.018 0.000 0.938 450 D CB -0.313 40.507 40.800 0.034 0.000 1.101 450 D HN 0.702 nan 8.370 nan 0.000 0.509 451 R N 1.590 122.141 120.500 0.086 0.000 3.954 451 R HA -0.180 4.160 4.340 -0.000 0.000 0.422 451 R C -0.222 176.197 176.300 0.198 0.000 1.091 451 R CA 0.709 56.946 56.100 0.228 0.000 1.168 451 R CB -1.848 28.478 30.300 0.043 0.000 1.752 451 R HN 0.511 nan 8.270 nan 0.000 0.547 452 I N 0.766 121.312 120.570 -0.040 0.000 2.447 452 I HA 0.369 4.539 4.170 -0.000 0.000 0.287 452 I C -0.249 175.599 176.117 -0.450 0.000 1.023 452 I CA -0.861 60.368 61.300 -0.119 0.000 1.083 452 I CB 1.215 39.184 38.000 -0.053 0.000 1.245 452 I HN -0.157 nan 8.210 nan 0.000 0.434 453 Y N 5.169 125.282 120.300 -0.312 0.000 2.567 453 Y HA 0.649 5.199 4.550 -0.000 0.000 0.333 453 Y C -0.568 174.976 175.900 -0.594 0.000 1.106 453 Y CA -0.833 57.109 58.100 -0.264 0.000 1.157 453 Y CB 1.578 39.984 38.460 -0.091 0.000 1.277 453 Y HN 0.258 nan 8.280 nan 0.000 0.490 454 F N 0.473 120.527 119.950 0.173 0.000 2.547 454 F HA 0.787 5.314 4.527 -0.000 0.000 0.316 454 F C -0.047 175.785 175.800 0.054 0.000 1.121 454 F CA -0.831 57.231 58.000 0.105 0.000 0.911 454 F CB 1.744 40.781 39.000 0.062 0.000 1.179 454 F HN 0.533 nan 8.300 nan 0.000 0.443 455 A N 1.477 124.404 122.820 0.179 0.000 2.486 455 A HA 1.021 5.341 4.320 -0.000 0.000 0.289 455 A C -0.234 177.358 177.584 0.014 0.000 1.176 455 A CA -0.446 51.630 52.037 0.065 0.000 0.757 455 A CB 1.675 20.704 19.000 0.048 0.000 1.337 455 A HN 1.717 nan 8.150 nan 0.000 0.423 456 G N -0.989 107.797 108.800 -0.024 0.000 2.362 456 G HA2 0.172 4.132 3.960 -0.000 0.000 0.656 456 G HA3 0.172 4.132 3.960 -0.000 0.000 0.656 456 G C 0.295 175.183 174.900 -0.020 0.000 1.376 456 G CA 0.287 45.396 45.100 0.015 0.000 0.971 456 G HN 0.993 nan 8.290 nan 0.000 0.636 457 E N -0.614 119.643 120.200 0.095 0.000 2.136 457 E HA -0.324 4.026 4.350 -0.000 0.000 0.202 457 E C 1.944 178.569 176.600 0.042 0.000 1.019 457 E CA 2.472 58.919 56.400 0.078 0.000 0.819 457 E CB -0.190 29.551 29.700 0.067 0.000 0.739 457 E HN 0.805 nan 8.360 nan 0.000 0.458 458 H N -1.862 117.173 119.070 -0.057 0.000 2.563 458 H HA 0.064 4.620 4.556 -0.000 0.000 0.272 458 H C 1.672 177.038 175.328 0.062 0.000 1.005 458 H CA 1.247 57.215 56.048 -0.133 0.000 1.171 458 H CB -0.051 29.672 29.762 -0.064 0.000 1.351 458 H HN 0.131 nan 8.280 nan 0.000 0.602 459 T N -3.020 111.405 114.554 -0.216 0.000 2.985 459 T HA 0.474 4.824 4.350 -0.000 0.000 0.254 459 T C 1.100 175.830 174.700 0.050 0.000 1.021 459 T CA -0.078 61.974 62.100 -0.079 0.000 0.957 459 T CB -0.003 68.770 68.868 -0.158 0.000 1.047 459 T HN 0.471 nan 8.240 nan 0.000 0.511 460 A N 1.428 124.290 122.820 0.069 0.000 2.327 460 A HA 0.473 4.793 4.320 -0.000 0.000 0.255 460 A C 1.121 178.776 177.584 0.118 0.000 1.099 460 A CA -0.331 51.754 52.037 0.081 0.000 0.801 460 A CB 0.361 19.409 19.000 0.079 0.000 1.062 460 A HN 0.451 nan 8.150 nan 0.000 0.496 461 E N -0.417 119.821 120.200 0.064 0.000 2.230 461 E HA 0.185 4.535 4.350 -0.000 0.000 0.192 461 E C 0.472 177.029 176.600 -0.071 0.000 0.987 461 E CA 0.807 57.235 56.400 0.047 0.000 0.841 461 E CB 0.169 29.904 29.700 0.059 0.000 0.783 461 E HN 0.670 nan 8.360 nan 0.000 0.481 462 A N 0.956 123.754 122.820 -0.037 0.000 2.318 462 A HA 0.412 4.732 4.320 -0.000 0.000 0.317 462 A C -1.326 176.331 177.584 0.121 0.000 1.159 462 A CA -0.525 51.501 52.037 -0.018 0.000 0.799 462 A CB 0.265 19.294 19.000 0.048 0.000 1.194 462 A HN 0.162 nan 8.150 nan 0.000 0.479 463 H N 0.682 119.785 119.070 0.056 0.000 2.548 463 H HA 0.467 5.023 4.556 -0.000 0.000 0.331 463 H C 1.171 176.453 175.328 -0.076 0.000 1.093 463 H CA 0.363 56.381 56.048 -0.049 0.000 1.367 463 H CB 1.207 30.854 29.762 -0.192 0.000 1.455 463 H HN 1.270 nan 8.280 nan 0.000 0.519 464 G N 2.306 111.072 108.800 -0.057 0.000 2.142 464 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.225 464 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.225 464 G C -0.893 173.605 174.900 -0.668 0.000 1.015 464 G CA -0.360 44.516 45.100 -0.373 0.000 0.716 464 G HN 0.655 nan 8.290 nan 0.000 0.508 465 W N -1.100 120.208 121.300 0.013 0.000 3.042 465 W HA 0.614 5.274 4.660 -0.000 0.000 0.337 465 W C 1.230 177.725 176.519 -0.041 0.000 1.086 465 W CA -1.224 56.124 57.345 0.006 0.000 1.236 465 W CB 0.664 30.129 29.460 0.009 0.000 1.381 465 W HN -0.036 nan 8.180 nan 0.000 0.472 466 I N 0.937 121.637 120.570 0.218 0.000 2.151 466 I HA -0.352 3.818 4.170 -0.000 0.000 0.243 466 I C 2.068 178.230 176.117 0.074 0.000 1.080 466 I CA 1.952 63.315 61.300 0.106 0.000 1.339 466 I CB -0.249 37.810 38.000 0.099 0.000 1.039 466 I HN 0.566 nan 8.210 nan 0.000 0.409 467 D N 0.387 120.817 120.400 0.051 0.000 2.103 467 D HA -0.245 4.395 4.640 -0.000 0.000 0.190 467 D C 2.321 178.586 176.300 -0.059 0.000 0.997 467 D CA 2.015 55.974 54.000 -0.068 0.000 0.833 467 D CB -0.051 40.487 40.800 -0.437 0.000 0.961 467 D HN 0.113 nan 8.370 nan 0.000 0.447 468 S N -1.663 113.983 115.700 -0.091 0.000 2.383 468 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 468 S C 1.963 176.560 174.600 -0.005 0.000 1.030 468 S CA 1.913 60.092 58.200 -0.035 0.000 1.002 468 S CB -0.592 62.614 63.200 0.011 0.000 0.829 468 S HN 0.361 nan 8.310 nan 0.000 0.467 469 T N 2.368 116.935 114.554 0.023 0.000 2.708 469 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 469 T C 1.710 176.400 174.700 -0.018 0.000 1.037 469 T CA 1.503 63.610 62.100 0.011 0.000 1.146 469 T CB -0.369 68.511 68.868 0.020 0.000 0.865 469 T HN 0.397 nan 8.240 nan 0.000 0.435 470 I N 0.740 121.300 120.570 -0.016 0.000 2.208 470 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 470 I C 2.776 178.864 176.117 -0.047 0.000 1.097 470 I CA 1.168 62.450 61.300 -0.030 0.000 1.363 470 I CB -0.329 37.672 38.000 0.000 0.000 1.051 470 I HN 0.123 nan 8.210 nan 0.000 0.413 471 K N 0.996 121.350 120.400 -0.078 0.000 2.097 471 K HA -0.186 4.134 4.320 -0.000 0.000 0.206 471 K C 2.301 178.703 176.600 -0.330 0.000 1.049 471 K CA 1.990 58.136 56.287 -0.235 0.000 0.933 471 K CB -0.134 32.236 32.500 -0.217 0.000 0.717 471 K HN 0.425 nan 8.250 nan 0.000 0.442 472 S N -0.891 114.704 115.700 -0.175 0.000 2.423 472 S HA -0.056 4.414 4.470 -0.000 0.000 0.231 472 S C 2.088 176.641 174.600 -0.078 0.000 1.014 472 S CA 1.073 59.197 58.200 -0.125 0.000 0.965 472 S CB -0.290 62.877 63.200 -0.055 0.000 0.785 472 S HN 0.356 nan 8.310 nan 0.000 0.495 473 G N 1.617 110.380 108.800 -0.061 0.000 2.430 473 G HA2 0.119 4.079 3.960 -0.000 0.000 0.216 473 G HA3 0.119 4.079 3.960 -0.000 0.000 0.216 473 G C 1.421 176.320 174.900 -0.002 0.000 1.146 473 G CA 0.519 45.607 45.100 -0.020 0.000 0.793 473 G HN 0.504 nan 8.290 nan 0.000 0.537 474 L N -0.304 120.912 121.223 -0.012 0.000 2.109 474 L HA 0.083 4.423 4.340 -0.000 0.000 0.207 474 L C 2.886 179.848 176.870 0.153 0.000 1.086 474 L CA 0.605 55.504 54.840 0.098 0.000 0.760 474 L CB -0.339 41.829 42.059 0.182 0.000 0.910 474 L HN 0.150 nan 8.230 nan 0.000 0.437 475 R N 0.701 121.179 120.500 -0.037 0.000 2.070 475 R HA -0.169 4.171 4.340 -0.000 0.000 0.233 475 R C 2.317 178.681 176.300 0.107 0.000 1.137 475 R CA 1.616 57.777 56.100 0.102 0.000 0.945 475 R CB -0.221 30.013 30.300 -0.110 0.000 0.845 475 R HN 0.314 nan 8.270 nan 0.000 0.430 476 A N 0.727 123.573 122.820 0.043 0.000 1.933 476 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 476 A C 2.336 179.852 177.584 -0.113 0.000 1.175 476 A CA 1.624 53.670 52.037 0.014 0.000 0.628 476 A CB -0.653 18.382 19.000 0.058 0.000 0.814 476 A HN 0.539 nan 8.150 nan 0.000 0.444 477 A N -0.339 122.451 122.820 -0.049 0.000 1.933 477 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 477 A C 2.231 179.765 177.584 -0.083 0.000 1.175 477 A CA 1.760 53.754 52.037 -0.072 0.000 0.628 477 A CB -0.467 18.543 19.000 0.016 0.000 0.814 477 A HN 0.572 nan 8.150 nan 0.000 0.444 478 R N -0.276 120.228 120.500 0.006 0.000 2.066 478 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 478 R C 1.425 177.672 176.300 -0.088 0.000 1.131 478 R CA 1.691 57.797 56.100 0.010 0.000 0.955 478 R CB -0.319 30.053 30.300 0.120 0.000 0.851 478 R HN 0.450 nan 8.270 nan 0.000 0.432 479 D N -0.013 120.313 120.400 -0.124 0.000 2.149 479 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 479 D C 1.910 177.928 176.300 -0.470 0.000 0.990 479 D CA 1.151 55.027 54.000 -0.206 0.000 0.839 479 D CB -0.100 40.626 40.800 -0.124 0.000 0.948 479 D HN 0.133 nan 8.370 nan 0.000 0.460 480 V N 1.219 120.722 119.914 -0.684 0.000 2.358 480 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 480 V C 2.204 177.958 176.094 -0.568 0.000 1.047 480 V CA 1.460 63.237 62.300 -0.871 0.000 1.035 480 V CB -0.512 30.835 31.823 -0.794 0.000 0.658 480 V HN 0.114 nan 8.190 nan 0.000 0.452 481 N N 0.172 118.688 118.700 -0.305 0.000 2.166 481 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 481 N C 1.965 177.441 175.510 -0.057 0.000 1.019 481 N CA 1.442 54.452 53.050 -0.066 0.000 0.856 481 N CB -0.130 38.382 38.487 0.040 0.000 0.993 481 N HN 0.388 nan 8.380 nan 0.000 0.426 482 R N -0.286 120.152 120.500 -0.103 0.000 2.062 482 R HA 0.070 4.410 4.340 -0.000 0.000 0.229 482 R C 2.161 178.428 176.300 -0.054 0.000 1.128 482 R CA 1.194 57.260 56.100 -0.057 0.000 0.960 482 R CB -0.413 29.860 30.300 -0.044 0.000 0.855 482 R HN 0.204 nan 8.270 nan 0.000 0.432 483 A N 1.183 123.926 122.820 -0.129 0.000 1.978 483 A HA -0.197 4.123 4.320 -0.000 0.000 0.220 483 A C 2.163 179.760 177.584 0.021 0.000 1.170 483 A CA 2.017 54.015 52.037 -0.065 0.000 0.636 483 A CB -0.514 18.379 19.000 -0.179 0.000 0.810 483 A HN 0.462 nan 8.150 nan 0.000 0.448 484 S N -0.760 114.928 115.700 -0.021 0.000 2.461 484 S HA -0.045 4.425 4.470 -0.000 0.000 0.228 484 S C 1.335 175.997 174.600 0.104 0.000 1.005 484 S CA 0.960 59.234 58.200 0.122 0.000 0.942 484 S CB -0.149 63.163 63.200 0.186 0.000 0.776 484 S HN 0.500 nan 8.310 nan 0.000 0.514 485 E N 1.820 122.056 120.200 0.061 0.000 2.482 485 E HA 0.042 4.392 4.350 -0.000 0.000 0.196 485 E C 1.068 177.695 176.600 0.045 0.000 1.047 485 E CA 0.277 56.705 56.400 0.046 0.000 0.869 485 E CB -0.069 29.646 29.700 0.025 0.000 0.836 485 E HN 0.940 nan 8.360 nan 0.000 0.520 486 Q N 0.000 119.834 119.800 0.057 0.000 2.315 486 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 486 Q CA 0.000 55.836 55.803 0.056 0.000 1.022 486 Q CB 0.000 28.773 28.738 0.057 0.000 1.108 486 Q HN 0.000 nan 8.270 nan 0.000 0.481