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 1reo_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 0.000 176.382 176.300 0.136 0.000 2.045 3 D CA 0.000 54.099 54.000 0.165 0.000 0.868 3 D CB 0.000 40.855 40.800 0.092 0.000 0.688 4 R N 0.927 121.503 120.500 0.126 0.000 1.709 4 R HA -0.199 4.141 4.340 -0.000 0.000 0.388 4 R C -0.315 175.798 176.300 -0.312 0.000 1.255 4 R CA -0.019 56.035 56.100 -0.076 0.000 1.080 4 R CB -0.699 29.568 30.300 -0.056 0.000 3.200 4 R HN 0.522 nan 8.270 nan 0.000 0.488 5 N N 5.168 123.363 118.700 -0.842 0.000 2.412 5 N HA 0.019 4.759 4.740 -0.000 0.000 0.258 5 N C -1.153 174.125 175.510 -0.387 0.000 1.236 5 N CA -1.319 51.102 53.050 -1.050 0.000 0.882 5 N CB 0.701 38.526 38.487 -1.105 0.000 1.066 5 N HN 0.266 nan 8.380 nan 0.000 0.465 6 P HA -0.077 nan 4.420 nan 0.000 0.239 6 P C 0.414 177.638 177.300 -0.127 0.000 1.184 6 P CA 1.041 64.069 63.100 -0.120 0.000 0.760 6 P CB 0.237 31.906 31.700 -0.051 0.000 0.884 7 L N -1.358 119.776 121.223 -0.149 0.000 2.766 7 L HA 0.195 4.535 4.340 -0.000 0.000 0.242 7 L C 2.141 178.843 176.870 -0.279 0.000 1.136 7 L CA -0.132 54.585 54.840 -0.206 0.000 0.933 7 L CB -0.405 41.563 42.059 -0.152 0.000 1.241 7 L HN -0.137 nan 8.230 nan 0.000 0.522 8 E N 1.619 121.710 120.200 -0.181 0.000 2.164 8 E HA -0.382 3.968 4.350 -0.000 0.000 0.233 8 E C 1.761 178.250 176.600 -0.185 0.000 1.073 8 E CA 2.650 58.963 56.400 -0.145 0.000 0.941 8 E CB -0.283 29.329 29.700 -0.146 0.000 0.820 8 E HN 0.664 nan 8.360 nan 0.000 0.486 9 E N 0.335 120.426 120.200 -0.182 0.000 2.169 9 E HA -0.270 4.080 4.350 -0.000 0.000 0.202 9 E C 2.130 178.592 176.600 -0.230 0.000 1.016 9 E CA 1.833 58.134 56.400 -0.165 0.000 0.817 9 E CB -0.583 29.038 29.700 -0.132 0.000 0.736 9 E HN 0.317 nan 8.360 nan 0.000 0.462 10 c N -0.056 118.297 118.600 -0.412 0.000 2.448 10 c HA 0.028 4.598 4.570 -0.000 0.000 0.280 10 c C 1.239 174.948 174.090 -0.637 0.000 1.398 10 c CA -0.006 55.968 56.329 -0.593 0.000 1.774 10 c CB -1.076 40.896 42.510 -0.896 0.000 1.888 10 c HN 0.372 nan 8.230 nan 0.000 0.519 11 F N 0.576 120.448 119.950 -0.130 0.000 2.708 11 F HA 0.298 4.825 4.527 -0.000 0.000 0.300 11 F C 0.995 176.696 175.800 -0.166 0.000 1.118 11 F CA -0.443 57.468 58.000 -0.150 0.000 1.307 11 F CB -0.459 38.442 39.000 -0.165 0.000 0.986 11 F HN 0.019 nan 8.300 nan 0.000 0.522 12 R N 1.340 121.812 120.500 -0.046 0.000 2.297 12 R HA 0.210 4.550 4.340 -0.000 0.000 0.308 12 R C 0.348 176.610 176.300 -0.063 0.000 1.029 12 R CA -0.584 55.453 56.100 -0.105 0.000 0.929 12 R CB 1.083 31.325 30.300 -0.097 0.000 1.046 12 R HN 0.129 nan 8.270 nan 0.000 0.461 13 E N 1.802 121.937 120.200 -0.108 0.000 2.442 13 E HA -0.028 4.322 4.350 -0.000 0.000 0.262 13 E C -0.144 176.537 176.600 0.135 0.000 1.004 13 E CA 0.604 57.023 56.400 0.032 0.000 0.928 13 E CB 0.572 30.344 29.700 0.121 0.000 0.937 13 E HN 0.395 nan 8.360 nan 0.000 0.446 14 T N 3.081 117.726 114.554 0.152 0.000 2.916 14 T HA -0.018 4.332 4.350 -0.000 0.000 0.303 14 T C 0.139 175.010 174.700 0.284 0.000 1.025 14 T CA -0.247 61.960 62.100 0.178 0.000 1.142 14 T CB 0.167 69.132 68.868 0.163 0.000 0.947 14 T HN 0.390 nan 8.240 nan 0.000 0.544 15 D N 0.729 121.264 120.400 0.226 0.000 2.737 15 D HA -0.214 4.426 4.640 -0.000 0.000 0.233 15 D C 0.487 176.973 176.300 0.310 0.000 1.155 15 D CA 0.556 54.677 54.000 0.201 0.000 0.667 15 D CB -1.192 39.691 40.800 0.138 0.000 1.060 15 D HN 0.738 nan 8.370 nan 0.000 0.427 16 Y N 0.823 121.228 120.300 0.175 0.000 2.193 16 Y HA -0.267 4.283 4.550 -0.000 0.000 0.285 16 Y C 2.155 178.130 175.900 0.126 0.000 1.166 16 Y CA 2.085 60.287 58.100 0.171 0.000 1.181 16 Y CB 0.236 38.744 38.460 0.079 0.000 0.976 16 Y HN 0.005 nan 8.280 nan 0.000 0.520 17 E N 0.335 120.595 120.200 0.100 0.000 2.077 17 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 17 E C 2.082 178.625 176.600 -0.094 0.000 0.989 17 E CA 1.595 57.987 56.400 -0.014 0.000 0.800 17 E CB -0.257 29.450 29.700 0.012 0.000 0.746 17 E HN 0.672 nan 8.360 nan 0.000 0.452 18 E N -0.224 119.895 120.200 -0.135 0.000 2.058 18 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 18 E C 2.010 178.423 176.600 -0.311 0.000 0.997 18 E CA 0.998 57.236 56.400 -0.270 0.000 0.801 18 E CB -0.283 29.155 29.700 -0.437 0.000 0.746 18 E HN 0.198 nan 8.360 nan 0.000 0.450 19 F N 0.887 120.776 119.950 -0.102 0.000 2.234 19 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 19 F C 2.194 177.880 175.800 -0.189 0.000 1.087 19 F CA 0.703 58.632 58.000 -0.119 0.000 1.340 19 F CB -0.295 38.640 39.000 -0.109 0.000 1.031 19 F HN 0.028 nan 8.300 nan 0.000 0.500 20 L N -0.211 120.926 121.223 -0.142 0.000 2.056 20 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 20 L C 2.614 179.400 176.870 -0.140 0.000 1.078 20 L CA 1.462 56.173 54.840 -0.215 0.000 0.749 20 L CB -0.318 41.575 42.059 -0.277 0.000 0.901 20 L HN 0.095 nan 8.230 nan 0.000 0.433 21 E N 0.481 120.609 120.200 -0.120 0.000 2.106 21 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 21 E C 2.204 178.751 176.600 -0.088 0.000 0.984 21 E CA 1.235 57.573 56.400 -0.104 0.000 0.806 21 E CB -0.048 29.590 29.700 -0.103 0.000 0.750 21 E HN 0.579 nan 8.360 nan 0.000 0.458 22 I N 0.580 121.109 120.570 -0.068 0.000 2.315 22 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 22 I C 2.504 178.627 176.117 0.009 0.000 1.117 22 I CA 0.931 62.223 61.300 -0.014 0.000 1.404 22 I CB -0.329 37.699 38.000 0.047 0.000 1.071 22 I HN 0.030 nan 8.210 nan 0.000 0.419 23 A N 0.868 123.668 122.820 -0.032 0.000 1.930 23 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 23 A C 2.419 179.819 177.584 -0.308 0.000 1.175 23 A CA 1.237 53.157 52.037 -0.195 0.000 0.627 23 A CB -0.407 18.408 19.000 -0.308 0.000 0.815 23 A HN 0.301 nan 8.150 nan 0.000 0.443 24 R N -0.573 119.802 120.500 -0.209 0.000 2.057 24 R HA -0.010 4.330 4.340 -0.000 0.000 0.229 24 R C 0.959 177.186 176.300 -0.121 0.000 1.136 24 R CA 1.442 57.433 56.100 -0.182 0.000 0.952 24 R CB -0.226 29.991 30.300 -0.138 0.000 0.848 24 R HN 0.497 nan 8.270 nan 0.000 0.430 25 N N -0.614 118.034 118.700 -0.086 0.000 2.220 25 N HA 0.109 4.849 4.740 -0.000 0.000 0.195 25 N C 0.591 176.076 175.510 -0.041 0.000 1.123 25 N CA 0.819 53.833 53.050 -0.061 0.000 0.874 25 N CB 1.565 40.016 38.487 -0.060 0.000 0.995 25 N HN 0.282 nan 8.380 nan 0.000 0.498 26 G N 1.101 109.889 108.800 -0.020 0.000 0.000 26 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.000 26 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.000 26 G C -0.743 174.153 174.900 -0.007 0.000 0.000 26 G CA -0.771 44.331 45.100 0.004 0.000 0.000 26 G HN 0.104 nan 8.290 nan 0.000 0.000 27 L N 0.223 121.446 121.223 0.001 0.000 2.439 27 L HA 0.380 4.720 4.340 -0.000 0.000 0.261 27 L C 1.096 177.949 176.870 -0.027 0.000 1.153 27 L CA -0.639 54.197 54.840 -0.006 0.000 0.808 27 L CB 0.633 42.703 42.059 0.018 0.000 1.126 27 L HN 0.581 nan 8.230 nan 0.000 0.460 28 K N 1.975 122.356 120.400 -0.032 0.000 2.436 28 K HA 0.253 4.573 4.320 -0.000 0.000 0.282 28 K C 0.073 176.646 176.600 -0.045 0.000 1.044 28 K CA -0.354 55.910 56.287 -0.039 0.000 1.028 28 K CB 0.342 32.821 32.500 -0.036 0.000 0.919 28 K HN 0.611 nan 8.250 nan 0.000 0.474 29 A N 3.146 125.931 122.820 -0.057 0.000 2.587 29 A HA -0.031 4.289 4.320 -0.000 0.000 0.233 29 A C 0.488 178.016 177.584 -0.093 0.000 1.049 29 A CA 0.277 52.265 52.037 -0.082 0.000 0.754 29 A CB 0.180 19.134 19.000 -0.075 0.000 0.977 29 A HN 0.691 nan 8.150 nan 0.000 0.509 30 T N 0.701 115.160 114.554 -0.159 0.000 2.922 30 T HA 0.424 4.774 4.350 -0.000 0.000 0.285 30 T C 1.060 175.686 174.700 -0.123 0.000 1.005 30 T CA 0.068 62.069 62.100 -0.165 0.000 1.061 30 T CB 0.785 69.420 68.868 -0.387 0.000 1.007 30 T HN 0.545 nan 8.240 nan 0.000 0.502 31 S N 2.950 118.610 115.700 -0.065 0.000 2.523 31 S HA 0.179 4.649 4.470 -0.000 0.000 0.217 31 S C 0.502 175.089 174.600 -0.021 0.000 0.996 31 S CA -0.369 57.806 58.200 -0.041 0.000 0.921 31 S CB -0.014 63.173 63.200 -0.021 0.000 0.829 31 S HN 0.737 nan 8.310 nan 0.000 0.495 32 N N 2.047 120.743 118.700 -0.006 0.000 2.790 32 N HA 0.339 5.079 4.740 -0.000 0.000 0.256 32 N C -3.338 172.221 175.510 0.083 0.000 1.409 32 N CA -1.810 51.266 53.050 0.043 0.000 0.799 32 N CB 0.719 39.250 38.487 0.074 0.000 1.170 32 N HN -0.107 nan 8.380 nan 0.000 0.507 33 P HA 0.022 nan 4.420 nan 0.000 0.261 33 P C -0.671 176.766 177.300 0.227 0.000 1.173 33 P CA 0.489 63.631 63.100 0.070 0.000 0.760 33 P CB 0.499 32.201 31.700 0.004 0.000 0.783 34 K N 1.751 122.423 120.400 0.453 0.000 2.340 34 K HA 0.328 4.648 4.320 -0.000 0.000 0.244 34 K C -0.572 176.205 176.600 0.295 0.000 0.973 34 K CA -0.670 55.808 56.287 0.317 0.000 0.828 34 K CB 1.578 34.267 32.500 0.314 0.000 1.226 34 K HN 0.558 nan 8.250 nan 0.000 0.437 35 H N 0.948 120.082 119.070 0.106 0.000 2.640 35 H HA 0.369 4.925 4.556 -0.000 0.000 0.297 35 H C -0.929 174.435 175.328 0.060 0.000 1.073 35 H CA -0.677 55.413 56.048 0.069 0.000 1.305 35 H CB 0.640 30.425 29.762 0.039 0.000 1.404 35 H HN 0.042 nan 8.280 nan 0.000 0.459 36 V N 6.486 126.537 119.914 0.228 0.000 2.435 36 V HA 0.177 4.297 4.120 -0.000 0.000 0.290 36 V C -0.147 175.946 176.094 -0.002 0.000 1.030 36 V CA -0.799 61.539 62.300 0.064 0.000 0.881 36 V CB 1.639 33.476 31.823 0.023 0.000 0.983 36 V HN 0.488 nan 8.190 nan 0.000 0.445 37 V N 5.345 125.208 119.914 -0.086 0.000 2.435 37 V HA 0.443 4.563 4.120 -0.000 0.000 0.290 37 V C -0.175 175.887 176.094 -0.053 0.000 1.030 37 V CA -0.497 61.742 62.300 -0.101 0.000 0.881 37 V CB 1.911 33.642 31.823 -0.153 0.000 0.983 37 V HN 0.622 nan 8.190 nan 0.000 0.445 38 V N 5.785 125.671 119.914 -0.047 0.000 2.357 38 V HA 0.352 4.472 4.120 -0.000 0.000 0.284 38 V C -0.082 175.985 176.094 -0.044 0.000 1.018 38 V CA -0.623 61.659 62.300 -0.030 0.000 0.841 38 V CB 1.818 33.636 31.823 -0.009 0.000 0.991 38 V HN 0.602 nan 8.190 nan 0.000 0.437 39 V N 4.596 124.492 119.914 -0.030 0.000 2.353 39 V HA 0.791 4.911 4.120 -0.000 0.000 0.264 39 V C 0.715 176.809 176.094 0.000 0.000 1.049 39 V CA 0.467 62.752 62.300 -0.025 0.000 0.896 39 V CB 0.449 32.271 31.823 -0.001 0.000 1.025 39 V HN 1.263 nan 8.190 nan 0.000 0.475 40 G N 4.236 113.023 108.800 -0.022 0.000 3.367 40 G HA2 0.262 4.222 3.960 -0.000 0.000 0.686 40 G HA3 0.262 4.222 3.960 -0.000 0.000 0.686 40 G C -0.174 174.714 174.900 -0.020 0.000 1.146 40 G CA -0.355 44.736 45.100 -0.015 0.000 0.913 40 G HN 1.374 nan 8.290 nan 0.000 0.554 41 A N 1.768 124.561 122.820 -0.044 0.000 3.012 41 A HA 0.761 5.081 4.320 -0.000 0.000 0.295 41 A C 1.390 178.944 177.584 -0.050 0.000 1.338 41 A CA 1.106 53.120 52.037 -0.038 0.000 0.981 41 A CB -0.268 18.701 19.000 -0.052 0.000 1.091 41 A HN 2.048 nan 8.150 nan 0.000 0.602 42 G N -1.323 107.457 108.800 -0.033 0.000 2.510 42 G HA2 0.406 4.366 3.960 -0.000 0.000 0.280 42 G HA3 0.406 4.366 3.960 -0.000 0.000 0.280 42 G C 0.979 175.856 174.900 -0.040 0.000 1.386 42 G CA -0.461 44.617 45.100 -0.035 0.000 1.047 42 G HN 0.090 nan 8.290 nan 0.000 0.527 43 M N 0.450 120.022 119.600 -0.046 0.000 2.159 43 M HA -0.091 4.388 4.480 -0.000 0.000 0.263 43 M C 2.830 179.097 176.300 -0.054 0.000 1.063 43 M CA 1.776 57.039 55.300 -0.061 0.000 1.110 43 M CB -1.410 31.157 32.600 -0.055 0.000 1.374 43 M HN 0.635 nan 8.290 nan 0.000 0.411 44 S N -0.294 115.392 115.700 -0.024 0.000 2.355 44 S HA -0.041 4.429 4.470 -0.000 0.000 0.222 44 S C 2.158 176.755 174.600 -0.005 0.000 1.031 44 S CA 1.261 59.453 58.200 -0.014 0.000 0.993 44 S CB -1.332 61.873 63.200 0.008 0.000 0.859 44 S HN 0.464 nan 8.310 nan 0.000 0.453 45 G N 1.966 110.768 108.800 0.004 0.000 2.421 45 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.216 45 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.216 45 G C 1.501 176.408 174.900 0.011 0.000 1.171 45 G CA 0.869 45.975 45.100 0.010 0.000 0.775 45 G HN 0.484 nan 8.290 nan 0.000 0.543 46 L N 0.705 121.926 121.223 -0.004 0.000 2.083 46 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 46 L C 3.196 180.075 176.870 0.015 0.000 1.083 46 L CA 1.125 55.968 54.840 0.006 0.000 0.752 46 L CB -0.305 41.733 42.059 -0.035 0.000 0.899 46 L HN 0.191 nan 8.230 nan 0.000 0.433 47 S N -0.198 115.477 115.700 -0.042 0.000 2.355 47 S HA -0.145 4.325 4.470 -0.000 0.000 0.222 47 S C 2.203 176.848 174.600 0.076 0.000 1.031 47 S CA 1.167 59.337 58.200 -0.049 0.000 0.993 47 S CB -0.265 62.867 63.200 -0.114 0.000 0.859 47 S HN 0.497 nan 8.310 nan 0.000 0.453 48 A N 1.736 124.585 122.820 0.048 0.000 1.883 48 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 48 A C 2.372 179.998 177.584 0.071 0.000 1.186 48 A CA 1.894 53.962 52.037 0.052 0.000 0.624 48 A CB -1.227 17.784 19.000 0.019 0.000 0.822 48 A HN 0.525 nan 8.150 nan 0.000 0.444 49 A N -1.724 121.141 122.820 0.075 0.000 1.933 49 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 49 A C 2.146 179.804 177.584 0.123 0.000 1.175 49 A CA 1.749 53.836 52.037 0.083 0.000 0.628 49 A CB -0.805 18.241 19.000 0.077 0.000 0.814 49 A HN 0.728 nan 8.150 nan 0.000 0.444 50 Y N 1.085 121.408 120.300 0.038 0.000 2.089 50 Y HA -0.222 4.328 4.550 -0.000 0.000 0.282 50 Y C 2.557 178.512 175.900 0.092 0.000 1.139 50 Y CA 2.542 60.685 58.100 0.071 0.000 1.123 50 Y CB -0.427 38.082 38.460 0.081 0.000 0.980 50 Y HN 0.204 nan 8.280 nan 0.000 0.493 51 V N -2.016 117.978 119.914 0.133 0.000 2.548 51 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 51 V C 2.102 178.204 176.094 0.013 0.000 1.055 51 V CA 1.540 63.868 62.300 0.047 0.000 1.065 51 V CB -1.054 30.871 31.823 0.170 0.000 0.681 51 V HN 0.360 nan 8.190 nan 0.000 0.462 52 L N 0.858 122.110 121.223 0.048 0.000 2.141 52 L HA 0.002 4.342 4.340 -0.000 0.000 0.209 52 L C 2.823 179.743 176.870 0.084 0.000 1.094 52 L CA 2.135 57.030 54.840 0.092 0.000 0.763 52 L CB -0.849 41.244 42.059 0.057 0.000 0.908 52 L HN 0.510 nan 8.230 nan 0.000 0.437 53 S N -1.003 114.699 115.700 0.003 0.000 2.371 53 S HA -0.072 4.398 4.470 -0.000 0.000 0.224 53 S C 2.009 176.551 174.600 -0.097 0.000 1.029 53 S CA 1.014 59.195 58.200 -0.032 0.000 0.978 53 S CB -0.412 62.758 63.200 -0.050 0.000 0.833 53 S HN 0.514 nan 8.310 nan 0.000 0.466 54 G N 0.196 108.888 108.800 -0.180 0.000 2.509 54 G HA2 0.103 4.063 3.960 -0.000 0.000 0.218 54 G HA3 0.103 4.063 3.960 -0.000 0.000 0.218 54 G C 1.327 176.157 174.900 -0.117 0.000 1.124 54 G CA 0.702 45.690 45.100 -0.188 0.000 0.776 54 G HN 0.628 nan 8.290 nan 0.000 0.547 55 A N -0.667 122.101 122.820 -0.085 0.000 2.208 55 A HA 0.488 4.808 4.320 -0.000 0.000 0.209 55 A C 1.997 179.467 177.584 -0.191 0.000 1.161 55 A CA 1.352 53.329 52.037 -0.099 0.000 0.782 55 A CB -0.214 18.767 19.000 -0.032 0.000 0.816 55 A HN 1.447 nan 8.150 nan 0.000 0.477 56 G N -1.875 106.829 108.800 -0.161 0.000 2.218 56 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 56 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 56 G C 0.186 174.979 174.900 -0.179 0.000 0.994 56 G CA 0.092 45.082 45.100 -0.184 0.000 0.637 56 G HN 0.595 nan 8.290 nan 0.000 0.505 57 H N 0.781 119.843 119.070 -0.015 0.000 2.679 57 H HA 0.350 4.906 4.556 -0.000 0.000 0.369 57 H C 0.472 175.805 175.328 0.008 0.000 1.178 57 H CA 0.500 56.554 56.048 0.010 0.000 1.419 57 H CB 0.767 30.542 29.762 0.022 0.000 1.458 57 H HN 0.388 nan 8.280 nan 0.000 0.605 58 Q N 2.225 122.124 119.800 0.164 0.000 2.322 58 Q HA 0.343 4.683 4.340 -0.000 0.000 0.256 58 Q C -0.840 175.252 176.000 0.153 0.000 0.960 58 Q CA -0.694 55.142 55.803 0.055 0.000 0.934 58 Q CB 0.533 29.215 28.738 -0.094 0.000 1.200 58 Q HN 0.483 nan 8.270 nan 0.000 0.435 59 V N 1.471 121.455 119.914 0.117 0.000 2.667 59 V HA 0.750 4.870 4.120 -0.000 0.000 0.308 59 V C -0.606 175.564 176.094 0.127 0.000 1.048 59 V CA -0.392 61.995 62.300 0.145 0.000 0.928 59 V CB 2.079 33.955 31.823 0.089 0.000 1.004 59 V HN 0.666 nan 8.190 nan 0.000 0.444 60 T N 4.058 118.683 114.554 0.119 0.000 2.840 60 T HA 0.597 4.947 4.350 -0.000 0.000 0.287 60 T C -0.616 174.039 174.700 -0.076 0.000 0.991 60 T CA -0.336 61.772 62.100 0.012 0.000 0.964 60 T CB 1.431 70.323 68.868 0.041 0.000 0.954 60 T HN 0.752 nan 8.240 nan 0.000 0.438 61 V N 5.301 125.157 119.914 -0.097 0.000 2.370 61 V HA 0.459 4.579 4.120 -0.000 0.000 0.283 61 V C -0.279 175.723 176.094 -0.152 0.000 1.023 61 V CA -0.788 61.465 62.300 -0.078 0.000 0.857 61 V CB 1.186 33.014 31.823 0.008 0.000 0.985 61 V HN 0.731 nan 8.190 nan 0.000 0.443 62 L N 4.526 125.640 121.223 -0.181 0.000 2.276 62 L HA 0.615 4.955 4.340 -0.000 0.000 0.286 62 L C -0.201 176.582 176.870 -0.145 0.000 1.024 62 L CA -0.372 54.322 54.840 -0.244 0.000 0.826 62 L CB 1.508 43.359 42.059 -0.347 0.000 1.211 62 L HN 0.634 nan 8.230 nan 0.000 0.422 63 E N 2.385 122.511 120.200 -0.122 0.000 2.176 63 E HA 0.492 4.842 4.350 -0.000 0.000 0.267 63 E C 0.328 176.843 176.600 -0.142 0.000 0.893 63 E CA -0.321 56.005 56.400 -0.123 0.000 0.761 63 E CB 2.056 31.685 29.700 -0.119 0.000 1.133 63 E HN 0.558 nan 8.360 nan 0.000 0.409 64 A N 3.624 126.343 122.820 -0.168 0.000 1.930 64 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 64 A C 1.224 178.646 177.584 -0.270 0.000 1.175 64 A CA 1.386 53.333 52.037 -0.151 0.000 0.627 64 A CB -0.665 18.300 19.000 -0.059 0.000 0.815 64 A HN 0.691 nan 8.150 nan 0.000 0.443 65 S N -0.186 115.186 115.700 -0.545 0.000 2.686 65 S HA 0.264 4.734 4.470 -0.000 0.000 0.270 65 S C 0.565 175.037 174.600 -0.212 0.000 1.194 65 S CA 0.161 58.071 58.200 -0.484 0.000 0.990 65 S CB 0.657 63.440 63.200 -0.696 0.000 1.029 65 S HN 0.536 nan 8.310 nan 0.000 0.560 66 E N -0.498 119.626 120.200 -0.127 0.000 2.463 66 E HA 0.217 4.567 4.350 -0.000 0.000 0.191 66 E C 0.513 177.029 176.600 -0.140 0.000 1.083 66 E CA -0.201 56.142 56.400 -0.094 0.000 0.872 66 E CB 0.040 29.713 29.700 -0.046 0.000 0.966 66 E HN 0.535 nan 8.360 nan 0.000 0.491 67 R N -0.096 120.290 120.500 -0.190 0.000 2.734 67 R HA 0.605 4.945 4.340 -0.000 0.000 0.271 67 R C -1.671 174.456 176.300 -0.289 0.000 1.021 67 R CA -0.465 55.485 56.100 -0.249 0.000 0.893 67 R CB 1.905 32.095 30.300 -0.183 0.000 1.244 67 R HN 0.106 nan 8.270 nan 0.000 0.464 68 A N 0.194 122.774 122.820 -0.400 0.000 2.282 68 A HA 0.685 5.005 4.320 -0.000 0.000 0.319 68 A C 0.768 178.230 177.584 -0.204 0.000 1.121 68 A CA 0.353 52.195 52.037 -0.324 0.000 0.836 68 A CB 1.070 19.794 19.000 -0.460 0.000 1.146 68 A HN 1.052 nan 8.150 nan 0.000 0.494 69 G N -0.666 108.054 108.800 -0.133 0.000 2.481 69 G HA2 0.291 4.251 3.960 -0.000 0.000 0.200 69 G HA3 0.291 4.251 3.960 -0.000 0.000 0.200 69 G C 1.714 176.583 174.900 -0.052 0.000 1.012 69 G CA 0.867 45.914 45.100 -0.088 0.000 0.676 69 G HN 2.747 nan 8.290 nan 0.000 0.488 70 G N 0.633 109.408 108.800 -0.041 0.000 2.596 70 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.304 70 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.304 70 G C 0.828 175.759 174.900 0.051 0.000 1.189 70 G CA 1.477 46.578 45.100 0.002 0.000 0.986 70 G HN 1.211 nan 8.290 nan 0.000 0.548 71 R N -0.255 120.207 120.500 -0.064 0.000 2.323 71 R HA 0.340 4.680 4.340 -0.000 0.000 0.198 71 R C 0.605 176.777 176.300 -0.213 0.000 0.988 71 R CA 0.487 56.402 56.100 -0.308 0.000 1.041 71 R CB 0.144 30.097 30.300 -0.578 0.000 0.926 71 R HN 0.250 nan 8.270 nan 0.000 0.476 72 V N 1.606 121.479 119.914 -0.068 0.000 2.320 72 V HA 0.289 4.409 4.120 -0.000 0.000 0.265 72 V C -0.030 176.090 176.094 0.043 0.000 1.048 72 V CA -0.410 61.871 62.300 -0.031 0.000 0.865 72 V CB 0.711 32.505 31.823 -0.048 0.000 1.043 72 V HN 0.138 nan 8.190 nan 0.000 0.474 73 R N 2.843 123.424 120.500 0.134 0.000 2.673 73 R HA 0.709 5.049 4.340 -0.000 0.000 0.281 73 R C -1.092 175.286 176.300 0.131 0.000 0.991 73 R CA -0.380 55.810 56.100 0.151 0.000 0.896 73 R CB 2.300 32.768 30.300 0.281 0.000 1.201 73 R HN 0.598 nan 8.270 nan 0.000 0.457 74 T N 3.067 117.657 114.554 0.061 0.000 2.879 74 T HA 0.220 4.570 4.350 -0.000 0.000 0.290 74 T C -1.572 173.154 174.700 0.045 0.000 0.993 74 T CA -0.454 61.677 62.100 0.053 0.000 0.975 74 T CB 0.808 69.640 68.868 -0.061 0.000 0.981 74 T HN 0.446 nan 8.240 nan 0.000 0.439 75 Y N 3.373 123.643 120.300 -0.051 0.000 2.323 75 Y HA 0.639 5.189 4.550 -0.000 0.000 0.331 75 Y C 0.014 175.824 175.900 -0.150 0.000 1.092 75 Y CA -0.816 57.210 58.100 -0.123 0.000 1.150 75 Y CB 0.748 39.099 38.460 -0.182 0.000 1.200 75 Y HN 0.496 nan 8.280 nan 0.000 0.472 76 R N 4.453 124.298 120.500 -1.092 0.000 2.575 76 R HA 0.243 4.583 4.340 -0.000 0.000 0.293 76 R C -1.318 174.234 176.300 -1.246 0.000 0.983 76 R CA -1.011 54.544 56.100 -0.908 0.000 0.887 76 R CB 1.424 31.448 30.300 -0.460 0.000 1.184 76 R HN 0.633 nan 8.270 nan 0.000 0.445 77 N N 2.963 120.939 118.700 -1.207 0.000 2.609 77 N HA 0.041 4.781 4.740 -0.000 0.000 0.234 77 N C -0.259 174.889 175.510 -0.603 0.000 1.001 77 N CA -0.072 52.411 53.050 -0.945 0.000 0.926 77 N CB 0.911 38.663 38.487 -1.225 0.000 1.130 77 N HN 0.562 nan 8.380 nan 0.000 0.510 78 D N 2.527 122.695 120.400 -0.387 0.000 2.092 78 D HA -0.182 4.458 4.640 -0.000 0.000 0.193 78 D C 1.226 177.432 176.300 -0.156 0.000 0.994 78 D CA 1.480 55.339 54.000 -0.234 0.000 0.828 78 D CB 0.446 41.143 40.800 -0.172 0.000 0.963 78 D HN 0.423 nan 8.370 nan 0.000 0.450 79 K N 0.866 121.191 120.400 -0.124 0.000 2.074 79 K HA -0.150 4.170 4.320 -0.000 0.000 0.209 79 K C 1.955 178.545 176.600 -0.015 0.000 1.048 79 K CA 1.230 57.486 56.287 -0.053 0.000 0.926 79 K CB -0.074 32.409 32.500 -0.028 0.000 0.713 79 K HN 0.215 nan 8.250 nan 0.000 0.444 80 E N -0.654 119.536 120.200 -0.015 0.000 2.400 80 E HA -0.025 4.325 4.350 -0.000 0.000 0.195 80 E C -0.608 176.053 176.600 0.103 0.000 1.012 80 E CA 0.333 56.806 56.400 0.123 0.000 0.875 80 E CB 0.318 30.253 29.700 0.392 0.000 0.859 80 E HN 0.278 nan 8.360 nan 0.000 0.498 81 D N 0.302 120.645 120.400 -0.096 0.000 3.026 81 D HA -0.145 4.495 4.640 -0.000 0.000 0.248 81 D C -1.313 174.862 176.300 -0.209 0.000 1.100 81 D CA 0.718 54.657 54.000 -0.102 0.000 0.855 81 D CB -0.802 40.014 40.800 0.028 0.000 1.011 81 D HN 0.359 nan 8.370 nan 0.000 0.423 82 W N 1.192 122.196 121.300 -0.494 0.000 3.059 82 W HA 0.563 5.223 4.660 -0.000 0.000 0.329 82 W C -1.519 174.722 176.519 -0.463 0.000 1.246 82 W CA -1.121 55.544 57.345 -1.132 0.000 1.190 82 W CB 0.101 28.931 29.460 -1.050 0.000 1.423 82 W HN 0.092 nan 8.180 nan 0.000 0.571 83 Y N 0.100 120.424 120.300 0.040 0.000 2.638 83 Y HA 0.897 5.447 4.550 -0.000 0.000 0.339 83 Y C -1.402 174.784 175.900 0.477 0.000 1.084 83 Y CA -2.001 56.191 58.100 0.152 0.000 1.068 83 Y CB 1.393 39.923 38.460 0.115 0.000 1.294 83 Y HN 0.815 nan 8.280 nan 0.000 0.480 84 A N 2.387 125.571 122.820 0.606 0.000 2.402 84 A HA 0.488 4.808 4.320 -0.000 0.000 0.291 84 A C -1.673 176.090 177.584 0.298 0.000 1.051 84 A CA -1.031 51.224 52.037 0.363 0.000 0.716 84 A CB 0.715 19.596 19.000 -0.199 0.000 1.223 84 A HN 0.734 nan 8.150 nan 0.000 0.425 85 N N 2.649 121.596 118.700 0.413 0.000 2.420 85 N HA 0.202 4.942 4.740 -0.000 0.000 0.262 85 N C 0.979 176.691 175.510 0.337 0.000 1.144 85 N CA -0.080 53.154 53.050 0.307 0.000 0.952 85 N CB 1.178 39.835 38.487 0.283 0.000 1.081 85 N HN 0.662 nan 8.380 nan 0.000 0.480 86 L N 0.663 122.068 121.223 0.303 0.000 2.270 86 L HA 0.117 4.457 4.340 -0.000 0.000 0.210 86 L C 1.734 178.962 176.870 0.596 0.000 1.104 86 L CA 0.586 55.682 54.840 0.427 0.000 0.804 86 L CB -0.102 42.129 42.059 0.286 0.000 0.937 86 L HN 0.510 nan 8.230 nan 0.000 0.450 87 G N -0.483 108.561 108.800 0.408 0.000 3.110 87 G HA2 0.283 4.243 3.960 -0.000 0.000 0.207 87 G HA3 0.283 4.243 3.960 -0.000 0.000 0.207 87 G C -2.374 172.494 174.900 -0.052 0.000 1.841 87 G CA -0.243 44.944 45.100 0.145 0.000 0.751 87 G HN -0.022 nan 8.290 nan 0.000 0.771 88 P HA 0.163 nan 4.420 nan 0.000 0.265 88 P C 0.397 177.653 177.300 -0.074 0.000 1.187 88 P CA 0.797 63.824 63.100 -0.123 0.000 0.766 88 P CB 0.694 32.342 31.700 -0.086 0.000 0.820 89 M N 1.588 121.101 119.600 -0.145 0.000 2.163 89 M HA 0.260 4.740 4.480 -0.000 0.000 0.356 89 M C -0.145 175.976 176.300 -0.299 0.000 0.863 89 M CA -0.036 55.187 55.300 -0.127 0.000 1.113 89 M CB 0.928 33.436 32.600 -0.154 0.000 2.038 89 M HN 0.119 nan 8.290 nan 0.000 0.691 90 R N 1.049 121.360 120.500 -0.314 0.000 2.707 90 R HA 0.814 5.154 4.340 -0.000 0.000 0.272 90 R C -1.912 174.450 176.300 0.103 0.000 1.011 90 R CA -0.881 55.048 56.100 -0.285 0.000 0.893 90 R CB 1.816 31.662 30.300 -0.758 0.000 1.233 90 R HN 0.238 nan 8.270 nan 0.000 0.464 91 L N 1.635 122.966 121.223 0.179 0.000 2.376 91 L HA 0.503 4.843 4.340 -0.000 0.000 0.275 91 L C -2.489 174.366 176.870 -0.024 0.000 0.987 91 L CA -2.513 52.430 54.840 0.172 0.000 0.828 91 L CB 2.482 44.619 42.059 0.130 0.000 1.249 91 L HN 0.391 nan 8.230 nan 0.000 0.409 92 P HA 0.007 nan 4.420 nan 0.000 0.269 92 P C 0.399 177.346 177.300 -0.588 0.000 1.215 92 P CA -0.112 62.435 63.100 -0.920 0.000 0.780 92 P CB 0.868 31.744 31.700 -1.374 0.000 0.898 93 E N 2.633 122.489 120.200 -0.574 0.000 2.150 93 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 93 E C 1.321 177.783 176.600 -0.229 0.000 0.985 93 E CA 1.128 57.345 56.400 -0.305 0.000 0.814 93 E CB -0.012 29.531 29.700 -0.262 0.000 0.752 93 E HN 0.399 nan 8.360 nan 0.000 0.466 94 K N -0.589 119.622 120.400 -0.316 0.000 2.439 94 K HA -0.068 4.252 4.320 -0.000 0.000 0.197 94 K C 0.166 176.751 176.600 -0.026 0.000 1.041 94 K CA 0.866 57.039 56.287 -0.191 0.000 0.970 94 K CB -0.252 32.096 32.500 -0.254 0.000 0.773 94 K HN 0.204 nan 8.250 nan 0.000 0.479 95 H N 1.661 120.639 119.070 -0.154 0.000 3.092 95 H HA 0.216 4.772 4.556 -0.000 0.000 0.263 95 H C 0.530 175.899 175.328 0.068 0.000 1.611 95 H CA -0.805 55.221 56.048 -0.037 0.000 1.457 95 H CB 0.521 30.241 29.762 -0.069 0.000 1.731 95 H HN 0.170 nan 8.280 nan 0.000 0.532 96 R N 1.935 122.602 120.500 0.278 0.000 2.115 96 R HA -0.092 4.248 4.340 -0.000 0.000 0.230 96 R C 1.714 178.069 176.300 0.091 0.000 1.111 96 R CA 0.808 57.010 56.100 0.170 0.000 0.976 96 R CB 0.054 30.467 30.300 0.188 0.000 0.870 96 R HN 0.591 nan 8.270 nan 0.000 0.445 97 I N 0.728 121.361 120.570 0.105 0.000 2.252 97 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 97 I C 2.296 178.503 176.117 0.150 0.000 1.102 97 I CA 1.118 62.443 61.300 0.041 0.000 1.385 97 I CB -0.322 37.696 38.000 0.030 0.000 1.064 97 I HN -0.104 nan 8.210 nan 0.000 0.414 98 V N 0.624 120.645 119.914 0.178 0.000 2.358 98 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 98 V C 2.585 178.781 176.094 0.171 0.000 1.047 98 V CA 1.487 63.911 62.300 0.207 0.000 1.035 98 V CB -0.951 30.978 31.823 0.177 0.000 0.658 98 V HN 0.347 nan 8.190 nan 0.000 0.452 99 R N 0.470 121.039 120.500 0.116 0.000 2.094 99 R HA -0.247 4.093 4.340 -0.000 0.000 0.239 99 R C 2.327 178.644 176.300 0.028 0.000 1.137 99 R CA 2.080 58.221 56.100 0.069 0.000 0.943 99 R CB -0.784 29.543 30.300 0.045 0.000 0.850 99 R HN 0.611 nan 8.270 nan 0.000 0.433 100 E N 0.460 120.640 120.200 -0.033 0.000 2.065 100 E HA -0.214 4.136 4.350 -0.000 0.000 0.201 100 E C 1.865 178.341 176.600 -0.206 0.000 1.016 100 E CA 1.643 57.948 56.400 -0.159 0.000 0.818 100 E CB -0.457 29.076 29.700 -0.278 0.000 0.749 100 E HN 0.390 nan 8.360 nan 0.000 0.453 101 Y N -0.057 120.223 120.300 -0.033 0.000 2.352 101 Y HA -0.000 4.550 4.550 -0.000 0.000 0.292 101 Y C 2.207 178.142 175.900 0.058 0.000 1.136 101 Y CA 1.031 59.104 58.100 -0.045 0.000 1.227 101 Y CB -0.139 38.361 38.460 0.066 0.000 0.991 101 Y HN 0.109 nan 8.280 nan 0.000 0.545 102 I N -0.770 119.921 120.570 0.201 0.000 2.353 102 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 102 I C 2.384 178.562 176.117 0.101 0.000 1.119 102 I CA 1.158 62.563 61.300 0.174 0.000 1.417 102 I CB -0.270 37.803 38.000 0.122 0.000 1.078 102 I HN 0.127 nan 8.210 nan 0.000 0.421 103 R N 0.841 121.354 120.500 0.021 0.000 2.062 103 R HA -0.183 4.157 4.340 -0.000 0.000 0.231 103 R C 2.355 178.613 176.300 -0.070 0.000 1.136 103 R CA 1.339 57.426 56.100 -0.021 0.000 0.948 103 R CB -0.336 29.932 30.300 -0.052 0.000 0.845 103 R HN 0.210 nan 8.270 nan 0.000 0.430 104 K N 0.128 120.416 120.400 -0.187 0.000 2.173 104 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 104 K C 0.912 177.288 176.600 -0.374 0.000 1.046 104 K CA 1.510 57.588 56.287 -0.348 0.000 0.929 104 K CB -0.010 32.142 32.500 -0.579 0.000 0.720 104 K HN 0.071 nan 8.250 nan 0.000 0.453 105 F N 0.071 120.037 119.950 0.028 0.000 2.693 105 F HA 0.285 4.812 4.527 -0.000 0.000 0.303 105 F C 1.115 176.924 175.800 0.015 0.000 1.097 105 F CA 0.218 58.230 58.000 0.020 0.000 1.330 105 F CB 0.581 39.586 39.000 0.009 0.000 1.067 105 F HN 0.188 nan 8.300 nan 0.000 0.565 106 G N 1.659 110.537 108.800 0.129 0.000 2.295 106 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.287 106 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.287 106 G C -0.080 174.875 174.900 0.093 0.000 1.055 106 G CA -0.117 45.036 45.100 0.089 0.000 0.922 106 G HN 0.315 nan 8.290 nan 0.000 0.503 107 L N -0.561 120.725 121.223 0.105 0.000 2.343 107 L HA 0.476 4.816 4.340 -0.000 0.000 0.275 107 L C 0.870 177.778 176.870 0.063 0.000 1.056 107 L CA -0.842 54.047 54.840 0.082 0.000 0.804 107 L CB 1.340 43.456 42.059 0.094 0.000 1.203 107 L HN 0.278 nan 8.230 nan 0.000 0.440 108 Q N 2.627 122.458 119.800 0.051 0.000 2.227 108 Q HA 0.618 4.958 4.340 -0.000 0.000 0.245 108 Q C -1.060 174.974 176.000 0.056 0.000 0.926 108 Q CA -0.628 55.204 55.803 0.049 0.000 0.895 108 Q CB 2.339 31.103 28.738 0.045 0.000 1.230 108 Q HN 0.460 nan 8.270 nan 0.000 0.450 109 L N 1.411 122.670 121.223 0.060 0.000 2.333 109 L HA 0.550 4.890 4.340 -0.000 0.000 0.269 109 L C -0.598 176.323 176.870 0.085 0.000 1.010 109 L CA -0.914 53.971 54.840 0.075 0.000 0.818 109 L CB 1.811 43.914 42.059 0.072 0.000 1.306 109 L HN 0.621 nan 8.230 nan 0.000 0.430 110 N N 0.369 119.138 118.700 0.115 0.000 2.260 110 N HA 0.153 4.893 4.740 -0.000 0.000 0.293 110 N C -1.053 174.561 175.510 0.172 0.000 1.058 110 N CA -0.629 52.498 53.050 0.128 0.000 0.824 110 N CB 2.040 40.609 38.487 0.136 0.000 1.551 110 N HN 0.581 nan 8.380 nan 0.000 0.475 111 E N 2.473 122.765 120.200 0.153 0.000 2.413 111 E HA 0.056 4.406 4.350 -0.000 0.000 0.263 111 E C -1.166 175.591 176.600 0.262 0.000 1.015 111 E CA -0.009 56.508 56.400 0.194 0.000 0.916 111 E CB 0.413 30.198 29.700 0.141 0.000 0.947 111 E HN 0.442 nan 8.360 nan 0.000 0.440 112 F N 3.754 123.810 119.950 0.177 0.000 2.375 112 F HA 0.298 4.825 4.527 -0.000 0.000 0.361 112 F C -0.782 175.126 175.800 0.180 0.000 1.117 112 F CA -0.632 57.477 58.000 0.182 0.000 1.037 112 F CB 1.177 40.292 39.000 0.192 0.000 1.192 112 F HN 0.232 nan 8.300 nan 0.000 0.452 113 S N 5.836 121.514 115.700 -0.037 0.000 2.505 113 S HA 0.108 4.578 4.470 -0.000 0.000 0.276 113 S C 0.911 175.551 174.600 0.067 0.000 1.274 113 S CA -0.627 57.604 58.200 0.053 0.000 1.053 113 S CB 1.313 64.514 63.200 0.001 0.000 0.919 113 S HN 0.682 nan 8.310 nan 0.000 0.490 114 Q N 1.626 121.545 119.800 0.199 0.000 2.269 114 Q HA 0.031 4.371 4.340 -0.000 0.000 0.201 114 Q C 0.535 176.603 176.000 0.114 0.000 0.946 114 Q CA 0.886 56.810 55.803 0.201 0.000 0.877 114 Q CB 0.182 29.013 28.738 0.154 0.000 0.963 114 Q HN 0.923 nan 8.270 nan 0.000 0.472 115 E N -0.518 119.730 120.200 0.080 0.000 2.429 115 E HA 0.567 4.917 4.350 -0.000 0.000 0.276 115 E C -1.269 175.343 176.600 0.021 0.000 0.953 115 E CA -0.955 55.468 56.400 0.038 0.000 0.787 115 E CB 1.433 31.164 29.700 0.051 0.000 1.307 115 E HN -0.114 nan 8.360 nan 0.000 0.458 116 N N 0.183 118.877 118.700 -0.010 0.000 2.542 116 N HA 0.156 4.896 4.740 -0.000 0.000 0.288 116 N C -0.857 174.612 175.510 -0.068 0.000 1.115 116 N CA -0.341 52.690 53.050 -0.031 0.000 0.924 116 N CB 1.578 40.034 38.487 -0.051 0.000 1.526 116 N HN 0.511 nan 8.380 nan 0.000 0.515 117 D N 1.144 121.511 120.400 -0.054 0.000 2.228 117 D HA -0.136 4.504 4.640 -0.000 0.000 0.203 117 D C 0.672 176.875 176.300 -0.163 0.000 0.988 117 D CA 1.152 55.107 54.000 -0.074 0.000 0.864 117 D CB 0.141 40.911 40.800 -0.049 0.000 0.928 117 D HN 0.544 nan 8.370 nan 0.000 0.469 118 N N 0.167 118.750 118.700 -0.196 0.000 2.412 118 N HA 0.081 4.821 4.740 -0.000 0.000 0.184 118 N C 0.669 175.886 175.510 -0.489 0.000 1.101 118 N CA 0.063 52.924 53.050 -0.316 0.000 0.881 118 N CB 0.306 38.659 38.487 -0.223 0.000 0.969 118 N HN 0.089 nan 8.380 nan 0.000 0.459 119 A N 0.387 122.989 122.820 -0.363 0.000 2.325 119 A HA 0.368 4.688 4.320 -0.000 0.000 0.260 119 A C -0.344 176.953 177.584 -0.478 0.000 1.133 119 A CA 0.019 51.862 52.037 -0.322 0.000 0.801 119 A CB 0.186 19.113 19.000 -0.120 0.000 1.092 119 A HN 0.235 nan 8.150 nan 0.000 0.504 120 W N -2.881 118.357 121.300 -0.104 0.000 2.762 120 W HA 0.625 5.285 4.660 -0.000 0.000 0.355 120 W C -1.275 175.150 176.519 -0.158 0.000 1.124 120 W CA 0.022 57.319 57.345 -0.080 0.000 1.141 120 W CB 1.156 30.552 29.460 -0.107 0.000 1.432 120 W HN 0.500 nan 8.180 nan 0.000 0.586 121 Y N 1.430 121.956 120.300 0.377 0.000 2.346 121 Y HA 0.393 4.943 4.550 -0.000 0.000 0.332 121 Y C -1.088 174.990 175.900 0.298 0.000 0.985 121 Y CA -1.311 56.932 58.100 0.239 0.000 1.112 121 Y CB 1.332 39.885 38.460 0.155 0.000 1.170 121 Y HN 0.201 nan 8.280 nan 0.000 0.447 122 F N 6.222 126.287 119.950 0.192 0.000 2.691 122 F HA 0.578 5.105 4.527 -0.000 0.000 0.371 122 F C -1.667 174.165 175.800 0.053 0.000 1.159 122 F CA -0.906 57.142 58.000 0.081 0.000 1.174 122 F CB 0.237 39.228 39.000 -0.014 0.000 1.419 122 F HN 0.204 nan 8.300 nan 0.000 0.514 123 I N 5.121 125.573 120.570 -0.197 0.000 2.406 123 I HA 0.263 4.433 4.170 -0.000 0.000 0.290 123 I C 0.175 176.090 176.117 -0.335 0.000 0.999 123 I CA -0.910 60.282 61.300 -0.180 0.000 1.124 123 I CB 1.742 39.736 38.000 -0.009 0.000 1.289 123 I HN 0.480 nan 8.210 nan 0.000 0.441 124 K N 4.623 124.833 120.400 -0.316 0.000 3.148 124 K HA -0.264 4.056 4.320 -0.000 0.000 0.267 124 K C 0.079 176.458 176.600 -0.367 0.000 0.996 124 K CA 0.864 56.973 56.287 -0.296 0.000 0.737 124 K CB -1.483 30.856 32.500 -0.269 0.000 1.308 124 K HN 0.852 nan 8.250 nan 0.000 0.470 125 N N -1.191 117.143 118.700 -0.610 0.000 2.741 125 N HA -0.212 4.528 4.740 -0.000 0.000 0.251 125 N C -0.543 174.675 175.510 -0.487 0.000 1.112 125 N CA 1.089 53.761 53.050 -0.629 0.000 0.750 125 N CB -0.696 37.647 38.487 -0.241 0.000 1.119 125 N HN 0.428 nan 8.380 nan 0.000 0.561 126 I N 0.639 120.906 120.570 -0.504 0.000 2.354 126 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 126 I C 0.412 176.441 176.117 -0.146 0.000 0.989 126 I CA -0.577 60.585 61.300 -0.231 0.000 1.188 126 I CB 1.647 39.552 38.000 -0.159 0.000 1.342 126 I HN 0.067 nan 8.210 nan 0.000 0.457 127 R N 7.105 127.644 120.500 0.065 0.000 2.320 127 R HA 0.431 4.771 4.340 -0.000 0.000 0.319 127 R C -1.218 175.313 176.300 0.384 0.000 0.969 127 R CA -0.591 55.681 56.100 0.287 0.000 0.857 127 R CB 0.650 31.116 30.300 0.276 0.000 1.160 127 R HN 0.490 nan 8.270 nan 0.000 0.491 128 K N 3.311 123.983 120.400 0.453 0.000 2.395 128 K HA 0.483 4.803 4.320 -0.000 0.000 0.247 128 K C -0.486 176.311 176.600 0.329 0.000 0.973 128 K CA -1.159 55.343 56.287 0.359 0.000 0.828 128 K CB 1.894 34.502 32.500 0.181 0.000 1.272 128 K HN 0.405 nan 8.250 nan 0.000 0.439 129 R N 0.741 121.233 120.500 -0.013 0.000 2.531 129 R HA 0.139 4.479 4.340 -0.000 0.000 0.273 129 R C 1.422 177.710 176.300 -0.019 0.000 1.070 129 R CA -0.271 55.629 56.100 -0.333 0.000 1.112 129 R CB 0.529 30.559 30.300 -0.451 0.000 1.049 129 R HN 0.354 nan 8.270 nan 0.000 0.508 130 V N 2.138 122.035 119.914 -0.028 0.000 2.324 130 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 130 V C 2.367 178.513 176.094 0.086 0.000 1.060 130 V CA 2.480 64.876 62.300 0.161 0.000 1.042 130 V CB -0.875 30.961 31.823 0.022 0.000 0.650 130 V HN 1.051 nan 8.190 nan 0.000 0.450 131 G N -0.438 108.351 108.800 -0.018 0.000 2.469 131 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.219 131 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.219 131 G C 1.429 176.326 174.900 -0.004 0.000 1.150 131 G CA 1.057 46.147 45.100 -0.016 0.000 0.763 131 G HN 0.608 nan 8.290 nan 0.000 0.561 132 E N -0.028 120.166 120.200 -0.010 0.000 2.051 132 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 132 E C 2.720 179.317 176.600 -0.005 0.000 0.991 132 E CA 1.136 57.535 56.400 -0.003 0.000 0.799 132 E CB -0.242 29.462 29.700 0.005 0.000 0.748 132 E HN 0.317 nan 8.360 nan 0.000 0.449 133 V N 1.769 121.679 119.914 -0.007 0.000 2.490 133 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 133 V C 2.127 178.190 176.094 -0.051 0.000 1.061 133 V CA 1.642 63.891 62.300 -0.084 0.000 1.064 133 V CB -0.449 31.195 31.823 -0.297 0.000 0.670 133 V HN 0.196 nan 8.190 nan 0.000 0.461 134 K N 0.959 121.361 120.400 0.003 0.000 2.026 134 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 134 K C 2.035 178.635 176.600 0.001 0.000 1.048 134 K CA 1.763 58.058 56.287 0.013 0.000 0.929 134 K CB -0.213 32.306 32.500 0.031 0.000 0.713 134 K HN 0.604 nan 8.250 nan 0.000 0.439 135 K N 0.329 120.729 120.400 -0.001 0.000 2.487 135 K HA -0.016 4.304 4.320 -0.000 0.000 0.192 135 K C -0.296 176.301 176.600 -0.005 0.000 1.027 135 K CA 0.750 57.037 56.287 -0.001 0.000 1.054 135 K CB 0.288 32.788 32.500 0.000 0.000 0.824 135 K HN -0.075 nan 8.250 nan 0.000 0.510 136 D N 0.029 120.421 120.400 -0.012 0.000 2.491 136 D HA 0.176 4.816 4.640 -0.000 0.000 0.232 136 D C -2.466 173.818 176.300 -0.026 0.000 1.334 136 D CA -1.426 52.566 54.000 -0.014 0.000 0.909 136 D CB 1.508 42.303 40.800 -0.008 0.000 1.513 136 D HN -0.226 nan 8.370 nan 0.000 0.514 137 P HA 0.025 nan 4.420 nan 0.000 0.223 137 P C 1.477 178.771 177.300 -0.010 0.000 1.144 137 P CA 0.964 64.040 63.100 -0.041 0.000 0.783 137 P CB 0.329 32.010 31.700 -0.033 0.000 0.771 138 G N 0.209 109.008 108.800 -0.000 0.000 2.471 138 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.219 138 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.219 138 G C 1.532 176.434 174.900 0.003 0.000 1.125 138 G CA 0.808 45.916 45.100 0.012 0.000 0.775 138 G HN 0.342 nan 8.290 nan 0.000 0.548 139 V N -0.827 119.080 119.914 -0.011 0.000 2.568 139 V HA -0.047 4.073 4.120 -0.000 0.000 0.253 139 V C 2.466 178.541 176.094 -0.032 0.000 1.072 139 V CA 1.357 63.646 62.300 -0.018 0.000 1.084 139 V CB -0.488 31.326 31.823 -0.016 0.000 0.676 139 V HN 0.341 nan 8.190 nan 0.000 0.469 140 L N -0.471 120.741 121.223 -0.019 0.000 2.478 140 L HA 0.131 4.471 4.340 -0.000 0.000 0.223 140 L C 1.331 178.129 176.870 -0.120 0.000 1.140 140 L CA 0.566 55.387 54.840 -0.033 0.000 0.842 140 L CB -0.635 41.498 42.059 0.124 0.000 0.953 140 L HN 0.398 nan 8.230 nan 0.000 0.452 141 K N -0.402 119.973 120.400 -0.042 0.000 3.150 141 K HA -0.225 4.095 4.320 -0.000 0.000 0.267 141 K C -0.837 175.700 176.600 -0.105 0.000 1.028 141 K CA 0.443 56.689 56.287 -0.069 0.000 0.753 141 K CB -2.054 30.381 32.500 -0.108 0.000 1.288 141 K HN 0.167 nan 8.250 nan 0.000 0.473 142 Y N 0.440 120.719 120.300 -0.034 0.000 2.309 142 Y HA 0.162 4.712 4.550 -0.000 0.000 0.327 142 Y C -1.537 174.353 175.900 -0.016 0.000 1.172 142 Y CA -2.286 55.801 58.100 -0.022 0.000 1.280 142 Y CB 0.486 38.938 38.460 -0.014 0.000 1.234 142 Y HN -0.013 nan 8.280 nan 0.000 0.512 143 P HA 0.023 nan 4.420 nan 0.000 0.244 143 P C -0.913 176.430 177.300 0.071 0.000 1.723 143 P CA 0.024 63.164 63.100 0.065 0.000 1.110 143 P CB -0.525 31.199 31.700 0.040 0.000 1.972 144 V N -0.682 119.274 119.914 0.069 0.000 2.716 144 V HA 0.456 4.576 4.120 -0.000 0.000 0.304 144 V C 0.431 176.540 176.094 0.025 0.000 1.053 144 V CA -1.197 61.131 62.300 0.046 0.000 0.984 144 V CB 1.554 33.403 31.823 0.044 0.000 1.021 144 V HN 0.072 nan 8.190 nan 0.000 0.467 145 K N 3.035 123.443 120.400 0.014 0.000 2.276 145 K HA 0.249 4.569 4.320 -0.000 0.000 0.259 145 K C -1.763 174.841 176.600 0.007 0.000 1.001 145 K CA -0.960 55.331 56.287 0.007 0.000 0.927 145 K CB 0.440 32.940 32.500 -0.000 0.000 0.969 145 K HN 0.473 nan 8.250 nan 0.000 0.490 146 P HA -0.249 nan 4.420 nan 0.000 0.216 146 P C 1.036 178.339 177.300 0.004 0.000 1.154 146 P CA 1.584 64.687 63.100 0.005 0.000 0.865 146 P CB 0.113 31.814 31.700 0.002 0.000 0.789 147 S N -1.130 114.572 115.700 0.003 0.000 2.515 147 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 147 S C 1.477 176.080 174.600 0.005 0.000 0.987 147 S CA 0.788 58.990 58.200 0.003 0.000 0.936 147 S CB -0.931 62.269 63.200 0.000 0.000 0.766 147 S HN 0.303 nan 8.310 nan 0.000 0.528 148 E N 0.784 120.988 120.200 0.005 0.000 2.472 148 E HA 0.122 4.472 4.350 -0.000 0.000 0.196 148 E C -0.130 176.475 176.600 0.010 0.000 1.033 148 E CA -0.200 56.204 56.400 0.007 0.000 0.886 148 E CB 0.156 29.860 29.700 0.007 0.000 0.944 148 E HN 0.526 nan 8.360 nan 0.000 0.492 149 E N 0.569 120.775 120.200 0.010 0.000 2.467 149 E HA -0.036 4.314 4.350 -0.000 0.000 0.264 149 E C 1.090 177.695 176.600 0.008 0.000 1.020 149 E CA 0.925 57.332 56.400 0.010 0.000 0.945 149 E CB 0.473 30.179 29.700 0.009 0.000 0.942 149 E HN 0.384 nan 8.360 nan 0.000 0.449 150 G N 2.487 111.291 108.800 0.007 0.000 2.186 150 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.266 150 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.266 150 G C 0.126 175.028 174.900 0.004 0.000 0.982 150 G CA 1.060 46.162 45.100 0.005 0.000 0.670 150 G HN 0.402 nan 8.290 nan 0.000 0.533 151 K N 0.801 121.204 120.400 0.005 0.000 2.138 151 K HA 0.562 4.882 4.320 -0.000 0.000 0.263 151 K C 0.804 177.404 176.600 -0.001 0.000 0.965 151 K CA 0.025 56.316 56.287 0.007 0.000 0.868 151 K CB 1.546 34.054 32.500 0.013 0.000 1.083 151 K HN 0.339 nan 8.250 nan 0.000 0.443 152 S N 0.937 116.639 115.700 0.002 0.000 2.624 152 S HA 0.198 4.668 4.470 -0.000 0.000 0.263 152 S C 1.281 175.883 174.600 0.003 0.000 1.287 152 S CA -0.197 58.000 58.200 -0.005 0.000 0.990 152 S CB 1.395 64.597 63.200 0.003 0.000 0.950 152 S HN 0.682 nan 8.310 nan 0.000 0.561 153 A N 1.749 124.563 122.820 -0.009 0.000 1.908 153 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 153 A C 2.217 179.846 177.584 0.076 0.000 1.181 153 A CA 1.792 53.836 52.037 0.012 0.000 0.627 153 A CB -1.876 17.116 19.000 -0.013 0.000 0.818 153 A HN 1.166 nan 8.150 nan 0.000 0.445 154 G N -0.898 107.932 108.800 0.050 0.000 2.440 154 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 154 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 154 G C 1.614 176.579 174.900 0.109 0.000 1.154 154 G CA 1.012 46.148 45.100 0.059 0.000 0.767 154 G HN 0.650 nan 8.290 nan 0.000 0.552 155 Q N -0.256 119.585 119.800 0.069 0.000 2.084 155 Q HA 0.055 4.395 4.340 -0.000 0.000 0.202 155 Q C 2.695 178.751 176.000 0.093 0.000 0.978 155 Q CA 0.784 56.630 55.803 0.072 0.000 0.844 155 Q CB -0.254 28.509 28.738 0.042 0.000 0.898 155 Q HN 0.437 nan 8.270 nan 0.000 0.426 156 L N -0.576 120.700 121.223 0.088 0.000 2.046 156 L HA -0.227 4.112 4.340 -0.000 0.000 0.208 156 L C 2.366 179.309 176.870 0.121 0.000 1.077 156 L CA 1.350 56.238 54.840 0.080 0.000 0.747 156 L CB -0.536 41.558 42.059 0.058 0.000 0.896 156 L HN 0.256 nan 8.230 nan 0.000 0.432 157 Y N 0.891 121.230 120.300 0.065 0.000 2.089 157 Y HA -0.328 4.222 4.550 -0.000 0.000 0.282 157 Y C 2.749 178.728 175.900 0.130 0.000 1.139 157 Y CA 2.129 60.296 58.100 0.111 0.000 1.123 157 Y CB -0.120 38.410 38.460 0.116 0.000 0.980 157 Y HN 0.157 nan 8.280 nan 0.000 0.493 158 E N -0.115 120.279 120.200 0.324 0.000 2.118 158 E HA -0.324 4.026 4.350 -0.000 0.000 0.195 158 E C 2.059 178.733 176.600 0.124 0.000 0.992 158 E CA 1.461 58.012 56.400 0.251 0.000 0.804 158 E CB -0.134 29.705 29.700 0.233 0.000 0.741 158 E HN 0.564 nan 8.360 nan 0.000 0.458 159 E N 0.321 120.576 120.200 0.091 0.000 2.049 159 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 159 E C 2.020 178.633 176.600 0.023 0.000 1.007 159 E CA 2.119 58.549 56.400 0.050 0.000 0.809 159 E CB -0.195 29.527 29.700 0.036 0.000 0.749 159 E HN 0.305 nan 8.360 nan 0.000 0.450 160 S N -0.381 115.314 115.700 -0.008 0.000 2.469 160 S HA -0.127 4.343 4.470 -0.000 0.000 0.238 160 S C 1.648 176.292 174.600 0.073 0.000 0.998 160 S CA 0.676 58.865 58.200 -0.019 0.000 0.957 160 S CB -0.222 62.935 63.200 -0.072 0.000 0.764 160 S HN 0.193 nan 8.310 nan 0.000 0.514 161 L N 2.308 123.560 121.223 0.048 0.000 2.622 161 L HA 0.235 4.575 4.340 -0.000 0.000 0.233 161 L C 2.409 179.314 176.870 0.058 0.000 1.156 161 L CA 0.516 55.391 54.840 0.058 0.000 0.866 161 L CB -1.568 40.519 42.059 0.047 0.000 0.980 161 L HN 0.462 nan 8.230 nan 0.000 0.448 162 G N -0.389 108.444 108.800 0.055 0.000 2.529 162 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.219 162 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.219 162 G C 1.751 176.682 174.900 0.051 0.000 1.177 162 G CA 0.966 46.091 45.100 0.042 0.000 0.773 162 G HN 0.401 nan 8.290 nan 0.000 0.573 163 K N -0.226 120.216 120.400 0.070 0.000 2.211 163 K HA 0.040 4.360 4.320 -0.000 0.000 0.203 163 K C 2.490 179.160 176.600 0.116 0.000 1.050 163 K CA 0.813 57.156 56.287 0.094 0.000 0.945 163 K CB -0.061 32.496 32.500 0.095 0.000 0.732 163 K HN 0.253 nan 8.250 nan 0.000 0.451 164 V N 0.175 120.119 119.914 0.050 0.000 2.407 164 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 164 V C 2.118 178.224 176.094 0.020 0.000 1.041 164 V CA 1.123 63.395 62.300 -0.047 0.000 1.040 164 V CB 0.170 31.816 31.823 -0.296 0.000 0.671 164 V HN 0.109 nan 8.190 nan 0.000 0.455 165 V N 0.047 119.967 119.914 0.010 0.000 2.407 165 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 165 V C 2.370 178.480 176.094 0.027 0.000 1.055 165 V CA 1.946 64.250 62.300 0.007 0.000 1.049 165 V CB -0.635 31.192 31.823 0.006 0.000 0.662 165 V HN 0.612 nan 8.190 nan 0.000 0.455 166 E N -0.331 119.897 120.200 0.046 0.000 2.028 166 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 166 E C 2.374 179.015 176.600 0.068 0.000 0.988 166 E CA 1.154 57.584 56.400 0.050 0.000 0.799 166 E CB -0.148 29.585 29.700 0.056 0.000 0.755 166 E HN 0.543 nan 8.360 nan 0.000 0.447 167 E N 1.032 121.304 120.200 0.120 0.000 2.070 167 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 167 E C 2.234 178.911 176.600 0.129 0.000 1.004 167 E CA 0.741 57.245 56.400 0.173 0.000 0.805 167 E CB -0.447 29.446 29.700 0.322 0.000 0.744 167 E HN 0.287 nan 8.360 nan 0.000 0.451 168 L N 1.040 122.323 121.223 0.100 0.000 1.956 168 L HA -0.287 4.053 4.340 -0.000 0.000 0.216 168 L C 2.453 179.333 176.870 0.018 0.000 1.073 168 L CA 1.882 56.752 54.840 0.049 0.000 0.762 168 L CB -0.263 41.793 42.059 -0.005 0.000 0.889 168 L HN 0.126 nan 8.230 nan 0.000 0.433 169 K N -0.722 119.682 120.400 0.007 0.000 2.089 169 K HA -0.293 4.027 4.320 -0.000 0.000 0.210 169 K C 2.164 178.758 176.600 -0.011 0.000 1.048 169 K CA 2.004 58.288 56.287 -0.005 0.000 0.926 169 K CB -0.361 32.138 32.500 -0.002 0.000 0.714 169 K HN 0.333 nan 8.250 nan 0.000 0.448 170 R N 0.988 121.484 120.500 -0.007 0.000 2.148 170 R HA -0.087 4.253 4.340 -0.000 0.000 0.223 170 R C 1.314 177.570 176.300 -0.074 0.000 1.088 170 R CA 1.698 57.779 56.100 -0.032 0.000 0.985 170 R CB 0.132 30.419 30.300 -0.023 0.000 0.880 170 R HN 0.410 nan 8.270 nan 0.000 0.451 171 T N -2.352 112.164 114.554 -0.064 0.000 2.213 171 T HA 0.297 4.647 4.350 -0.000 0.000 0.184 171 T C -0.643 174.044 174.700 -0.023 0.000 0.716 171 T CA -0.471 61.565 62.100 -0.107 0.000 1.296 171 T CB 0.275 68.990 68.868 -0.255 0.000 2.422 171 T HN 0.363 nan 8.240 nan 0.000 0.446 172 N N -1.685 117.040 118.700 0.040 0.000 2.610 172 N HA 0.406 5.146 4.740 -0.000 0.000 0.264 172 N C 0.454 176.008 175.510 0.073 0.000 1.348 172 N CA -0.624 52.452 53.050 0.043 0.000 0.819 172 N CB 0.735 39.243 38.487 0.035 0.000 1.521 172 N HN 0.532 nan 8.380 nan 0.000 0.497 173 c N -0.547 118.055 118.600 0.004 0.000 2.385 173 c HA -0.188 4.381 4.570 -0.000 0.000 0.275 173 c C 2.831 176.932 174.090 0.017 0.000 1.207 173 c CA 1.817 58.120 56.329 -0.043 0.000 1.760 173 c CB -1.283 41.162 42.510 -0.109 0.000 2.051 173 c HN 0.904 nan 8.230 nan 0.000 0.467 174 S N -1.156 114.583 115.700 0.064 0.000 2.387 174 S HA -0.244 4.226 4.470 -0.000 0.000 0.230 174 S C 1.722 176.404 174.600 0.136 0.000 1.035 174 S CA 1.859 60.126 58.200 0.112 0.000 1.014 174 S CB -0.510 62.760 63.200 0.117 0.000 0.836 174 S HN 0.692 nan 8.310 nan 0.000 0.466 175 Y N 2.710 123.029 120.300 0.031 0.000 2.163 175 Y HA -0.033 4.517 4.550 -0.000 0.000 0.288 175 Y C 1.996 177.911 175.900 0.025 0.000 1.136 175 Y CA 1.879 59.996 58.100 0.027 0.000 1.147 175 Y CB -0.445 38.025 38.460 0.016 0.000 0.987 175 Y HN 0.471 nan 8.280 nan 0.000 0.509 176 I N -2.116 118.500 120.570 0.077 0.000 2.252 176 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 176 I C 2.054 178.193 176.117 0.037 0.000 1.102 176 I CA 1.465 62.812 61.300 0.077 0.000 1.385 176 I CB -0.936 37.192 38.000 0.214 0.000 1.064 176 I HN 0.150 nan 8.210 nan 0.000 0.414 177 L N 1.118 122.336 121.223 -0.008 0.000 2.127 177 L HA -0.205 4.135 4.340 -0.000 0.000 0.211 177 L C 2.327 179.189 176.870 -0.014 0.000 1.089 177 L CA 1.792 56.587 54.840 -0.076 0.000 0.757 177 L CB -0.848 41.116 42.059 -0.157 0.000 0.899 177 L HN 0.400 nan 8.230 nan 0.000 0.434 178 N N -0.102 118.619 118.700 0.035 0.000 2.251 178 N HA -0.154 4.586 4.740 -0.000 0.000 0.181 178 N C 1.803 177.234 175.510 -0.131 0.000 1.019 178 N CA 0.865 53.951 53.050 0.060 0.000 0.862 178 N CB 0.107 38.603 38.487 0.015 0.000 0.992 178 N HN 0.139 nan 8.380 nan 0.000 0.429 179 K N -0.712 119.488 120.400 -0.332 0.000 2.001 179 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 179 K C 0.993 177.387 176.600 -0.344 0.000 1.048 179 K CA 1.180 57.187 56.287 -0.468 0.000 0.932 179 K CB -0.200 31.811 32.500 -0.816 0.000 0.715 179 K HN 0.219 nan 8.250 nan 0.000 0.437 180 Y N 1.015 121.319 120.300 0.005 0.000 2.632 180 Y HA -0.061 4.489 4.550 -0.000 0.000 0.301 180 Y C 1.479 177.474 175.900 0.159 0.000 1.172 180 Y CA 0.908 59.081 58.100 0.120 0.000 1.328 180 Y CB -0.214 38.277 38.460 0.051 0.000 1.016 180 Y HN 0.324 nan 8.280 nan 0.000 0.529 181 D N -0.600 119.854 120.400 0.090 0.000 2.347 181 D HA -0.108 4.532 4.640 -0.000 0.000 0.215 181 D C 1.898 178.074 176.300 -0.206 0.000 0.976 181 D CA 1.327 55.339 54.000 0.020 0.000 0.884 181 D CB -0.002 40.829 40.800 0.052 0.000 0.915 181 D HN 0.282 nan 8.370 nan 0.000 0.526 182 T N -2.876 111.500 114.554 -0.296 0.000 3.129 182 T HA 0.068 4.418 4.350 -0.000 0.000 0.251 182 T C 0.170 174.704 174.700 -0.278 0.000 1.117 182 T CA -0.114 61.559 62.100 -0.712 0.000 1.034 182 T CB -0.381 68.102 68.868 -0.641 0.000 0.968 182 T HN -0.046 nan 8.240 nan 0.000 0.526 183 Y N 2.105 122.380 120.300 -0.043 0.000 2.487 183 Y HA 0.585 5.135 4.550 -0.000 0.000 0.337 183 Y C 0.698 176.681 175.900 0.139 0.000 1.076 183 Y CA -1.412 56.743 58.100 0.092 0.000 1.115 183 Y CB 1.836 40.425 38.460 0.214 0.000 1.235 183 Y HN 0.171 nan 8.280 nan 0.000 0.468 184 S N -0.829 115.042 115.700 0.286 0.000 2.616 184 S HA 0.238 4.708 4.470 -0.000 0.000 0.277 184 S C 0.744 175.488 174.600 0.239 0.000 1.234 184 S CA -0.427 57.920 58.200 0.245 0.000 1.028 184 S CB 1.454 64.773 63.200 0.200 0.000 0.988 184 S HN 0.714 nan 8.310 nan 0.000 0.522 185 T N 1.736 116.454 114.554 0.273 0.000 2.635 185 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 185 T C 1.711 176.437 174.700 0.042 0.000 1.040 185 T CA 2.003 64.263 62.100 0.266 0.000 1.156 185 T CB -0.498 68.661 68.868 0.486 0.000 0.863 185 T HN 0.789 nan 8.240 nan 0.000 0.430 186 K N 0.914 121.288 120.400 -0.043 0.000 2.063 186 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 186 K C 2.385 178.860 176.600 -0.207 0.000 1.048 186 K CA 1.749 57.787 56.287 -0.415 0.000 0.928 186 K CB -0.128 32.028 32.500 -0.574 0.000 0.713 186 K HN 0.478 nan 8.250 nan 0.000 0.442 187 E N -0.565 119.604 120.200 -0.052 0.000 2.118 187 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 187 E C 1.901 178.505 176.600 0.007 0.000 0.992 187 E CA 1.314 57.722 56.400 0.013 0.000 0.804 187 E CB -0.280 29.487 29.700 0.113 0.000 0.741 187 E HN 0.480 nan 8.360 nan 0.000 0.458 188 Y N 1.311 121.516 120.300 -0.159 0.000 2.089 188 Y HA -0.206 4.344 4.550 -0.000 0.000 0.282 188 Y C 2.041 177.706 175.900 -0.392 0.000 1.139 188 Y CA 1.950 59.806 58.100 -0.407 0.000 1.123 188 Y CB -0.452 37.345 38.460 -1.105 0.000 0.980 188 Y HN 0.012 nan 8.280 nan 0.000 0.493 189 L N -0.223 120.757 121.223 -0.405 0.000 2.089 189 L HA -0.293 4.047 4.340 -0.000 0.000 0.213 189 L C 2.359 179.024 176.870 -0.343 0.000 1.079 189 L CA 1.564 56.190 54.840 -0.357 0.000 0.758 189 L CB -0.646 41.304 42.059 -0.182 0.000 0.891 189 L HN 0.370 nan 8.230 nan 0.000 0.433 190 L N -1.298 119.758 121.223 -0.278 0.000 2.249 190 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 190 L C 2.473 179.229 176.870 -0.189 0.000 1.090 190 L CA 0.772 55.493 54.840 -0.199 0.000 0.802 190 L CB -0.193 41.779 42.059 -0.145 0.000 0.947 190 L HN 0.148 nan 8.230 nan 0.000 0.453 191 K N -0.449 119.829 120.400 -0.203 0.000 2.099 191 K HA -0.015 4.305 4.320 -0.000 0.000 0.203 191 K C 1.849 178.317 176.600 -0.219 0.000 1.047 191 K CA 0.707 56.912 56.287 -0.138 0.000 0.963 191 K CB 0.277 32.773 32.500 -0.007 0.000 0.759 191 K HN 0.110 nan 8.250 nan 0.000 0.451 192 E N -0.219 119.704 120.200 -0.462 0.000 2.201 192 E HA 0.021 4.371 4.350 -0.000 0.000 0.193 192 E C 2.060 178.289 176.600 -0.618 0.000 0.957 192 E CA 0.599 56.675 56.400 -0.540 0.000 0.858 192 E CB -0.017 29.265 29.700 -0.696 0.000 0.816 192 E HN 0.334 nan 8.360 nan 0.000 0.475 193 G N 1.683 109.964 108.800 -0.865 0.000 2.471 193 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 193 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 193 G C 0.841 175.584 174.900 -0.261 0.000 1.125 193 G CA 0.792 45.587 45.100 -0.508 0.000 0.775 193 G HN 0.369 nan 8.290 nan 0.000 0.548 194 N N -1.631 116.925 118.700 -0.241 0.000 2.747 194 N HA -0.155 4.585 4.740 -0.000 0.000 0.249 194 N C -0.102 175.343 175.510 -0.108 0.000 1.107 194 N CA 0.311 53.275 53.050 -0.143 0.000 0.707 194 N CB -1.629 36.795 38.487 -0.105 0.000 1.054 194 N HN 0.328 nan 8.380 nan 0.000 0.555 195 L N 0.222 121.371 121.223 -0.123 0.000 2.399 195 L HA 0.432 4.772 4.340 -0.000 0.000 0.265 195 L C 1.109 177.941 176.870 -0.064 0.000 1.089 195 L CA -0.521 54.271 54.840 -0.080 0.000 0.802 195 L CB 1.261 43.273 42.059 -0.077 0.000 1.180 195 L HN 0.343 nan 8.230 nan 0.000 0.454 196 S N 0.652 116.330 115.700 -0.036 0.000 2.617 196 S HA 0.276 4.746 4.470 -0.000 0.000 0.269 196 S C -2.007 172.584 174.600 -0.015 0.000 1.292 196 S CA -1.127 57.060 58.200 -0.022 0.000 1.010 196 S CB 1.270 64.468 63.200 -0.003 0.000 0.944 196 S HN 0.385 nan 8.310 nan 0.000 0.536 197 P HA 0.004 nan 4.420 nan 0.000 0.216 197 P C 1.662 178.988 177.300 0.043 0.000 1.150 197 P CA 1.564 64.666 63.100 0.003 0.000 0.837 197 P CB -0.385 31.319 31.700 0.006 0.000 0.786 198 G N -0.031 108.804 108.800 0.060 0.000 2.402 198 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 198 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 198 G C 1.626 176.580 174.900 0.089 0.000 1.162 198 G CA 0.832 46.005 45.100 0.122 0.000 0.777 198 G HN 0.312 nan 8.290 nan 0.000 0.539 199 A N 0.047 122.884 122.820 0.029 0.000 1.969 199 A HA 0.158 4.478 4.320 -0.000 0.000 0.218 199 A C 2.548 180.128 177.584 -0.007 0.000 1.169 199 A CA 1.583 53.610 52.037 -0.016 0.000 0.635 199 A CB -0.430 18.567 19.000 -0.006 0.000 0.810 199 A HN 0.234 nan 8.150 nan 0.000 0.445 200 V N 0.436 120.364 119.914 0.023 0.000 2.427 200 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 200 V C 2.069 178.258 176.094 0.158 0.000 1.051 200 V CA 2.200 64.539 62.300 0.064 0.000 1.048 200 V CB -0.695 31.099 31.823 -0.048 0.000 0.666 200 V HN 0.463 nan 8.190 nan 0.000 0.456 201 D N -0.656 119.818 120.400 0.124 0.000 2.178 201 D HA -0.171 4.469 4.640 -0.000 0.000 0.201 201 D C 2.026 178.341 176.300 0.026 0.000 0.980 201 D CA 1.241 55.353 54.000 0.186 0.000 0.842 201 D CB -0.169 40.798 40.800 0.278 0.000 0.948 201 D HN 0.357 nan 8.370 nan 0.000 0.472 202 M N -0.096 119.317 119.600 -0.312 0.000 2.099 202 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 202 M C 1.997 178.135 176.300 -0.271 0.000 1.067 202 M CA 1.207 56.029 55.300 -0.796 0.000 1.124 202 M CB 0.045 32.131 32.600 -0.856 0.000 1.353 202 M HN -0.062 nan 8.290 nan 0.000 0.410 203 I N -0.196 120.339 120.570 -0.057 0.000 2.226 203 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 203 I C 2.480 178.624 176.117 0.045 0.000 1.100 203 I CA 1.409 62.750 61.300 0.068 0.000 1.374 203 I CB -0.971 37.173 38.000 0.241 0.000 1.057 203 I HN 0.459 nan 8.210 nan 0.000 0.413 204 G N 0.479 109.331 108.800 0.086 0.000 2.421 204 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 204 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 204 G C 1.236 176.114 174.900 -0.036 0.000 1.171 204 G CA 1.051 46.088 45.100 -0.106 0.000 0.775 204 G HN 0.281 nan 8.290 nan 0.000 0.543 205 D N 0.460 120.884 120.400 0.039 0.000 2.084 205 D HA -0.039 4.601 4.640 -0.000 0.000 0.196 205 D C 2.668 179.040 176.300 0.119 0.000 0.985 205 D CA 0.679 54.724 54.000 0.075 0.000 0.826 205 D CB -0.313 40.582 40.800 0.158 0.000 0.978 205 D HN 0.331 nan 8.370 nan 0.000 0.456 206 L N -0.642 120.649 121.223 0.113 0.000 2.270 206 L HA 0.143 4.483 4.340 -0.000 0.000 0.210 206 L C 2.047 179.033 176.870 0.194 0.000 1.104 206 L CA 0.477 55.444 54.840 0.212 0.000 0.804 206 L CB -0.173 41.983 42.059 0.163 0.000 0.937 206 L HN -0.063 nan 8.230 nan 0.000 0.450 207 M N -0.630 119.014 119.600 0.073 0.000 2.431 207 M HA 0.079 4.559 4.480 -0.000 0.000 0.237 207 M C 0.196 176.430 176.300 -0.111 0.000 1.130 207 M CA 0.188 55.473 55.300 -0.025 0.000 1.002 207 M CB -0.017 32.544 32.600 -0.065 0.000 1.524 207 M HN 0.294 nan 8.290 nan 0.000 0.482 208 N N 1.099 119.799 118.700 0.000 0.000 2.754 208 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 208 N C 0.312 175.669 175.510 -0.255 0.000 1.093 208 N CA 0.065 53.073 53.050 -0.069 0.000 0.699 208 N CB -0.080 38.208 38.487 -0.332 0.000 1.016 208 N HN 0.335 nan 8.380 nan 0.000 0.552 209 E N -0.083 119.924 120.200 -0.320 0.000 2.415 209 E HA -0.036 4.314 4.350 -0.000 0.000 0.197 209 E C 1.123 177.229 176.600 -0.823 0.000 1.007 209 E CA 0.297 56.368 56.400 -0.548 0.000 0.890 209 E CB -0.018 29.342 29.700 -0.566 0.000 0.891 209 E HN 0.524 nan 8.360 nan 0.000 0.496 210 D N 1.260 121.310 120.400 -0.583 0.000 2.106 210 D HA -0.159 4.481 4.640 -0.000 0.000 0.191 210 D C 1.760 177.987 176.300 -0.122 0.000 0.997 210 D CA 2.161 55.951 54.000 -0.351 0.000 0.834 210 D CB 0.091 40.843 40.800 -0.080 0.000 0.956 210 D HN 0.084 nan 8.370 nan 0.000 0.448 211 S N -1.798 113.857 115.700 -0.075 0.000 2.660 211 S HA 0.149 4.619 4.470 -0.000 0.000 0.228 211 S C 1.355 175.975 174.600 0.034 0.000 0.966 211 S CA 0.394 58.616 58.200 0.035 0.000 0.940 211 S CB 0.455 63.679 63.200 0.039 0.000 0.773 211 S HN 0.314 nan 8.310 nan 0.000 0.535 212 G N -0.606 108.131 108.800 -0.105 0.000 4.530 212 G HA2 0.260 4.220 3.960 -0.000 0.000 0.284 212 G HA3 0.260 4.220 3.960 -0.000 0.000 0.284 212 G C 0.097 174.890 174.900 -0.178 0.000 1.008 212 G CA -0.314 44.646 45.100 -0.232 0.000 0.770 212 G HN 0.335 nan 8.290 nan 0.000 0.424 213 Y N 0.898 121.182 120.300 -0.026 0.000 2.639 213 Y HA -0.028 4.522 4.550 -0.000 0.000 0.297 213 Y C 2.016 177.963 175.900 0.078 0.000 1.151 213 Y CA -0.169 57.959 58.100 0.047 0.000 1.335 213 Y CB -0.131 38.390 38.460 0.103 0.000 0.994 213 Y HN 0.633 nan 8.280 nan 0.000 0.548 214 Y N -1.701 118.747 120.300 0.247 0.000 2.457 214 Y HA 0.392 4.942 4.550 -0.000 0.000 0.263 214 Y C 0.645 176.639 175.900 0.158 0.000 1.164 214 Y CA -1.045 57.157 58.100 0.170 0.000 1.274 214 Y CB -1.116 37.414 38.460 0.117 0.000 1.097 214 Y HN -0.158 nan 8.280 nan 0.000 0.523 215 V N -0.995 118.762 119.914 -0.262 0.000 3.214 215 V HA 0.379 4.499 4.120 -0.000 0.000 0.306 215 V C 0.721 176.896 176.094 0.136 0.000 1.078 215 V CA -0.807 61.441 62.300 -0.087 0.000 1.077 215 V CB 1.169 32.900 31.823 -0.154 0.000 1.121 215 V HN 0.278 nan 8.190 nan 0.000 0.468 216 S N 1.074 116.890 115.700 0.193 0.000 2.544 216 S HA 0.055 4.525 4.470 -0.000 0.000 0.290 216 S C 0.548 175.308 174.600 0.266 0.000 1.276 216 S CA -0.118 58.223 58.200 0.235 0.000 1.075 216 S CB -0.587 62.769 63.200 0.260 0.000 0.849 216 S HN 0.867 nan 8.310 nan 0.000 0.494 217 F N 7.779 127.805 119.950 0.126 0.000 2.120 217 F HA 0.033 4.560 4.527 -0.000 0.000 0.300 217 F C -1.172 174.652 175.800 0.039 0.000 1.095 217 F CA 1.072 59.123 58.000 0.085 0.000 1.249 217 F CB -1.684 37.346 39.000 0.050 0.000 0.995 217 F HN 0.528 nan 8.300 nan 0.000 0.480 218 P HA -0.156 nan 4.420 nan 0.000 0.219 218 P C 1.608 178.791 177.300 -0.194 0.000 1.146 218 P CA 1.575 64.525 63.100 -0.250 0.000 0.808 218 P CB -0.098 31.517 31.700 -0.142 0.000 0.779 219 E N -0.721 119.455 120.200 -0.041 0.000 2.077 219 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 219 E C 2.099 178.686 176.600 -0.022 0.000 0.989 219 E CA 1.255 57.650 56.400 -0.009 0.000 0.800 219 E CB -0.812 28.935 29.700 0.078 0.000 0.746 219 E HN 0.202 nan 8.360 nan 0.000 0.452 220 S N 0.382 116.088 115.700 0.009 0.000 2.368 220 S HA -0.063 4.407 4.470 -0.000 0.000 0.224 220 S C 2.145 176.744 174.600 -0.001 0.000 1.029 220 S CA 0.512 58.759 58.200 0.079 0.000 0.988 220 S CB -0.119 63.273 63.200 0.321 0.000 0.838 220 S HN 0.140 nan 8.310 nan 0.000 0.462 221 L N 0.885 121.949 121.223 -0.264 0.000 2.012 221 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 221 L C 3.017 179.523 176.870 -0.607 0.000 1.073 221 L CA 1.509 56.124 54.840 -0.375 0.000 0.748 221 L CB -0.535 41.233 42.059 -0.486 0.000 0.891 221 L HN 0.281 nan 8.230 nan 0.000 0.431 222 R N -1.198 118.855 120.500 -0.744 0.000 2.091 222 R HA -0.204 4.136 4.340 -0.000 0.000 0.238 222 R C 2.384 178.519 176.300 -0.275 0.000 1.136 222 R CA 1.387 57.031 56.100 -0.761 0.000 0.959 222 R CB -0.597 29.422 30.300 -0.469 0.000 0.856 222 R HN 0.485 nan 8.270 nan 0.000 0.437 223 H N 0.707 119.705 119.070 -0.120 0.000 2.353 223 H HA -0.146 4.410 4.556 -0.000 0.000 0.300 223 H C 1.460 176.864 175.328 0.128 0.000 1.090 223 H CA 2.052 58.172 56.048 0.121 0.000 1.327 223 H CB 0.026 29.853 29.762 0.109 0.000 1.383 223 H HN 0.174 nan 8.280 nan 0.000 0.508 224 D N 0.043 120.477 120.400 0.055 0.000 2.144 224 D HA -0.159 4.481 4.640 -0.000 0.000 0.200 224 D C 1.956 178.289 176.300 0.055 0.000 0.978 224 D CA 1.340 55.337 54.000 -0.006 0.000 0.833 224 D CB -0.365 40.392 40.800 -0.073 0.000 0.961 224 D HN 0.412 nan 8.370 nan 0.000 0.470 225 D N -0.863 119.519 120.400 -0.030 0.000 2.221 225 D HA -0.144 4.496 4.640 -0.000 0.000 0.204 225 D C 1.887 178.165 176.300 -0.038 0.000 0.982 225 D CA 1.051 55.052 54.000 0.002 0.000 0.857 225 D CB -0.048 40.625 40.800 -0.212 0.000 0.934 225 D HN 0.383 nan 8.370 nan 0.000 0.475 226 I N -1.283 119.169 120.570 -0.197 0.000 2.512 226 I HA -0.066 4.104 4.170 -0.000 0.000 0.247 226 I C 1.412 177.342 176.117 -0.312 0.000 1.094 226 I CA 0.259 61.317 61.300 -0.403 0.000 1.427 226 I CB -0.117 37.427 38.000 -0.759 0.000 1.149 226 I HN -0.040 nan 8.210 nan 0.000 0.438 227 F N 0.843 120.715 119.950 -0.130 0.000 2.456 227 F HA 0.005 4.532 4.527 -0.000 0.000 0.298 227 F C 2.444 178.205 175.800 -0.066 0.000 1.104 227 F CA 0.968 58.940 58.000 -0.047 0.000 1.435 227 F CB -0.410 38.471 39.000 -0.198 0.000 1.078 227 F HN -0.015 nan 8.300 nan 0.000 0.546 228 A N -1.256 121.568 122.820 0.008 0.000 1.935 228 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 228 A C 1.329 178.645 177.584 -0.446 0.000 1.178 228 A CA 1.045 52.932 52.037 -0.251 0.000 0.640 228 A CB -0.755 17.998 19.000 -0.411 0.000 0.825 228 A HN 0.422 nan 8.150 nan 0.000 0.447 229 Y N -0.612 119.674 120.300 -0.023 0.000 2.444 229 Y HA 0.323 4.873 4.550 -0.000 0.000 0.249 229 Y C 0.639 176.482 175.900 -0.096 0.000 1.134 229 Y CA -0.280 57.793 58.100 -0.045 0.000 1.261 229 Y CB 0.305 38.735 38.460 -0.050 0.000 1.143 229 Y HN 0.256 nan 8.280 nan 0.000 0.523 230 E N 2.260 122.436 120.200 -0.040 0.000 2.249 230 E HA 0.170 4.520 4.350 -0.000 0.000 0.280 230 E C 0.202 176.738 176.600 -0.107 0.000 1.016 230 E CA -0.383 55.897 56.400 -0.201 0.000 0.830 230 E CB 0.627 30.018 29.700 -0.515 0.000 1.081 230 E HN 0.363 nan 8.360 nan 0.000 0.395 231 K N 3.023 123.351 120.400 -0.120 0.000 2.478 231 K HA 0.347 4.667 4.320 -0.000 0.000 0.205 231 K C -0.035 176.560 176.600 -0.009 0.000 1.033 231 K CA -0.604 55.677 56.287 -0.010 0.000 1.091 231 K CB 0.653 33.154 32.500 0.001 0.000 0.844 231 K HN 0.163 nan 8.250 nan 0.000 0.507 232 R N 0.737 121.137 120.500 -0.165 0.000 2.523 232 R HA 0.391 4.731 4.340 -0.000 0.000 0.278 232 R C -2.086 174.018 176.300 -0.327 0.000 1.150 232 R CA -0.355 55.685 56.100 -0.101 0.000 0.987 232 R CB 0.667 30.910 30.300 -0.095 0.000 1.232 232 R HN 0.026 nan 8.270 nan 0.000 0.424 233 F N 1.697 121.671 119.950 0.040 0.000 2.577 233 F HA 0.612 5.139 4.527 -0.000 0.000 0.318 233 F C -0.091 175.782 175.800 0.121 0.000 1.065 233 F CA -0.455 57.568 58.000 0.037 0.000 0.929 233 F CB 2.425 41.463 39.000 0.063 0.000 1.237 233 F HN 0.356 nan 8.300 nan 0.000 0.468 234 D N 0.200 120.763 120.400 0.273 0.000 2.581 234 D HA 0.336 4.976 4.640 -0.000 0.000 0.232 234 D C -1.306 175.125 176.300 0.220 0.000 1.143 234 D CA -0.526 53.617 54.000 0.239 0.000 0.881 234 D CB 2.879 43.762 40.800 0.139 0.000 1.500 234 D HN 0.683 nan 8.370 nan 0.000 0.458 235 E N -0.009 120.334 120.200 0.238 0.000 2.336 235 E HA 0.588 4.938 4.350 -0.000 0.000 0.267 235 E C -0.644 176.038 176.600 0.138 0.000 0.906 235 E CA -0.851 55.670 56.400 0.202 0.000 0.781 235 E CB 1.954 31.846 29.700 0.320 0.000 1.261 235 E HN 0.273 nan 8.360 nan 0.000 0.436 236 I N 2.171 122.794 120.570 0.088 0.000 2.352 236 I HA 0.080 4.250 4.170 -0.000 0.000 0.290 236 I C -0.042 176.087 176.117 0.019 0.000 1.036 236 I CA -0.995 60.334 61.300 0.048 0.000 1.336 236 I CB 1.267 39.276 38.000 0.016 0.000 1.407 236 I HN 0.384 nan 8.210 nan 0.000 0.497 237 V N 6.708 126.642 119.914 0.032 0.000 2.557 237 V HA 0.078 4.198 4.120 -0.000 0.000 0.301 237 V C 1.279 177.360 176.094 -0.022 0.000 1.026 237 V CA 1.402 63.718 62.300 0.026 0.000 1.137 237 V CB 0.185 32.035 31.823 0.044 0.000 0.917 237 V HN 1.189 nan 8.190 nan 0.000 0.484 238 G N 3.123 111.910 108.800 -0.022 0.000 2.175 238 G HA2 0.197 4.157 3.960 -0.000 0.000 0.244 238 G HA3 0.197 4.157 3.960 -0.000 0.000 0.244 238 G C 0.680 175.177 174.900 -0.671 0.000 0.982 238 G CA -0.127 44.888 45.100 -0.142 0.000 0.641 238 G HN 2.458 nan 8.290 nan 0.000 0.527 239 G N -1.544 106.792 108.800 -0.773 0.000 2.885 239 G HA2 0.277 4.237 3.960 -0.000 0.000 0.685 239 G HA3 0.277 4.237 3.960 -0.000 0.000 0.685 239 G C 0.501 175.231 174.900 -0.284 0.000 1.216 239 G CA 0.262 44.894 45.100 -0.780 0.000 0.790 239 G HN 0.629 nan 8.290 nan 0.000 0.631 240 M N 1.279 120.793 119.600 -0.143 0.000 2.374 240 M HA -0.035 4.445 4.480 -0.000 0.000 0.264 240 M C 2.163 178.421 176.300 -0.070 0.000 1.067 240 M CA 2.008 57.273 55.300 -0.059 0.000 1.103 240 M CB -0.831 31.764 32.600 -0.007 0.000 1.402 240 M HN 0.823 nan 8.290 nan 0.000 0.444 241 D N -0.091 120.252 120.400 -0.096 0.000 2.378 241 D HA -0.115 4.525 4.640 -0.000 0.000 0.227 241 D C 1.358 177.594 176.300 -0.106 0.000 1.012 241 D CA 0.560 54.506 54.000 -0.089 0.000 0.905 241 D CB -0.228 40.522 40.800 -0.084 0.000 0.895 241 D HN 0.141 nan 8.370 nan 0.000 0.532 242 K N 0.101 120.435 120.400 -0.110 0.000 2.097 242 K HA -0.050 4.270 4.320 -0.000 0.000 0.205 242 K C 1.969 178.503 176.600 -0.110 0.000 1.050 242 K CA 0.204 56.430 56.287 -0.103 0.000 0.938 242 K CB -0.495 31.954 32.500 -0.085 0.000 0.718 242 K HN 0.233 nan 8.250 nan 0.000 0.442 243 L N 2.536 123.708 121.223 -0.086 0.000 1.955 243 L HA -0.116 4.224 4.340 -0.000 0.000 0.213 243 L C -1.044 175.715 176.870 -0.186 0.000 1.072 243 L CA 2.070 56.853 54.840 -0.095 0.000 0.755 243 L CB -1.443 40.600 42.059 -0.026 0.000 0.888 243 L HN 0.061 nan 8.230 nan 0.000 0.432 244 P HA -0.132 nan 4.420 nan 0.000 0.218 244 P C 1.465 178.688 177.300 -0.129 0.000 1.148 244 P CA 1.762 64.775 63.100 -0.144 0.000 0.822 244 P CB -0.253 31.382 31.700 -0.108 0.000 0.784 245 T N -0.349 114.132 114.554 -0.122 0.000 2.821 245 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 245 T C 2.123 176.765 174.700 -0.097 0.000 1.046 245 T CA 1.624 63.691 62.100 -0.055 0.000 1.139 245 T CB -0.550 68.278 68.868 -0.067 0.000 0.871 245 T HN 0.162 nan 8.240 nan 0.000 0.454 246 S N 1.084 116.609 115.700 -0.291 0.000 2.338 246 S HA 0.017 4.487 4.470 -0.000 0.000 0.218 246 S C 2.086 176.245 174.600 -0.735 0.000 1.032 246 S CA 1.032 58.909 58.200 -0.538 0.000 0.999 246 S CB -0.405 62.308 63.200 -0.812 0.000 0.905 246 S HN 0.360 nan 8.310 nan 0.000 0.439 247 M N 0.004 119.076 119.600 -0.881 0.000 2.144 247 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 247 M C 2.050 178.230 176.300 -0.200 0.000 1.067 247 M CA 1.710 56.638 55.300 -0.620 0.000 1.095 247 M CB -0.312 32.025 32.600 -0.439 0.000 1.365 247 M HN 0.487 nan 8.290 nan 0.000 0.406 248 Y N 0.507 120.668 120.300 -0.231 0.000 2.200 248 Y HA -0.196 4.354 4.550 -0.000 0.000 0.290 248 Y C 2.131 177.985 175.900 -0.076 0.000 1.137 248 Y CA 1.709 59.739 58.100 -0.116 0.000 1.163 248 Y CB -0.297 38.095 38.460 -0.115 0.000 0.988 248 Y HN 0.093 nan 8.280 nan 0.000 0.518 249 R N -0.025 120.302 120.500 -0.289 0.000 2.115 249 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 249 R C 2.476 178.657 176.300 -0.198 0.000 1.111 249 R CA 1.003 56.916 56.100 -0.313 0.000 0.976 249 R CB -0.520 29.697 30.300 -0.138 0.000 0.870 249 R HN 0.436 nan 8.270 nan 0.000 0.445 250 A N 1.348 124.116 122.820 -0.087 0.000 2.070 250 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 250 A C 1.777 179.395 177.584 0.058 0.000 1.159 250 A CA 1.134 53.219 52.037 0.080 0.000 0.656 250 A CB -0.364 18.834 19.000 0.330 0.000 0.800 250 A HN 0.493 nan 8.150 nan 0.000 0.453 251 I N -5.154 115.403 120.570 -0.022 0.000 3.621 251 I HA 0.336 4.506 4.170 -0.000 0.000 0.325 251 I C 0.955 176.990 176.117 -0.137 0.000 1.554 251 I CA 0.039 61.326 61.300 -0.022 0.000 1.053 251 I CB 0.110 38.153 38.000 0.072 0.000 1.302 251 I HN 0.182 nan 8.210 nan 0.000 0.518 252 E N 2.976 122.989 120.200 -0.311 0.000 2.086 252 E HA -0.273 4.077 4.350 -0.000 0.000 0.200 252 E C 1.828 178.320 176.600 -0.180 0.000 1.012 252 E CA 2.468 58.585 56.400 -0.472 0.000 0.812 252 E CB 0.071 29.465 29.700 -0.511 0.000 0.743 252 E HN 0.761 nan 8.360 nan 0.000 0.453 253 E N 0.470 120.612 120.200 -0.096 0.000 2.409 253 E HA -0.192 4.158 4.350 -0.000 0.000 0.198 253 E C 1.205 177.831 176.600 0.043 0.000 1.024 253 E CA 0.957 57.340 56.400 -0.028 0.000 0.861 253 E CB -0.087 29.599 29.700 -0.024 0.000 0.788 253 E HN 0.269 nan 8.360 nan 0.000 0.521 254 K N 0.680 121.109 120.400 0.049 0.000 2.367 254 K HA 0.192 4.512 4.320 -0.000 0.000 0.194 254 K C 0.059 176.756 176.600 0.161 0.000 1.027 254 K CA -0.023 56.326 56.287 0.103 0.000 1.075 254 K CB 1.188 33.722 32.500 0.057 0.000 0.845 254 K HN -0.081 nan 8.250 nan 0.000 0.529 255 V N 2.141 122.166 119.914 0.186 0.000 2.427 255 V HA 0.160 4.280 4.120 -0.000 0.000 0.286 255 V C -0.387 175.922 176.094 0.357 0.000 1.034 255 V CA -0.758 61.684 62.300 0.238 0.000 0.893 255 V CB 1.079 33.073 31.823 0.285 0.000 0.982 255 V HN 0.232 nan 8.190 nan 0.000 0.452 256 H N 5.178 124.243 119.070 -0.008 0.000 2.551 256 H HA 0.511 5.067 4.556 -0.000 0.000 0.321 256 H C -0.572 174.715 175.328 -0.068 0.000 1.028 256 H CA -0.782 55.240 56.048 -0.042 0.000 1.215 256 H CB 1.607 31.297 29.762 -0.119 0.000 1.414 256 H HN 0.451 nan 8.280 nan 0.000 0.480 257 L N 2.302 123.564 121.223 0.066 0.000 2.454 257 L HA 0.107 4.447 4.340 -0.000 0.000 0.256 257 L C 0.862 177.727 176.870 -0.009 0.000 1.136 257 L CA -0.782 54.051 54.840 -0.011 0.000 0.804 257 L CB 0.318 42.355 42.059 -0.036 0.000 1.181 257 L HN 0.797 nan 8.230 nan 0.000 0.469 258 N N 0.203 118.883 118.700 -0.033 0.000 2.721 258 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 258 N C -0.533 175.002 175.510 0.041 0.000 1.072 258 N CA 1.004 54.058 53.050 0.005 0.000 0.710 258 N CB -0.898 37.604 38.487 0.025 0.000 0.993 258 N HN 0.677 nan 8.380 nan 0.000 0.547 259 A N 0.720 123.538 122.820 -0.004 0.000 2.483 259 A HA 0.350 4.670 4.320 -0.000 0.000 0.308 259 A C 0.157 177.732 177.584 -0.015 0.000 1.291 259 A CA -0.555 51.474 52.037 -0.014 0.000 0.774 259 A CB 0.888 19.713 19.000 -0.291 0.000 1.134 259 A HN 0.246 nan 8.150 nan 0.000 0.471 260 Q N 2.800 122.663 119.800 0.106 0.000 2.322 260 Q HA 0.466 4.806 4.340 -0.000 0.000 0.256 260 Q C -0.947 175.138 176.000 0.142 0.000 0.960 260 Q CA -0.366 55.500 55.803 0.104 0.000 0.934 260 Q CB 1.003 29.820 28.738 0.131 0.000 1.200 260 Q HN 0.480 nan 8.270 nan 0.000 0.435 261 V N 7.204 127.173 119.914 0.092 0.000 2.521 261 V HA -0.015 4.105 4.120 -0.000 0.000 0.286 261 V C 1.132 177.258 176.094 0.053 0.000 1.034 261 V CA 0.556 62.910 62.300 0.090 0.000 1.045 261 V CB 0.440 32.276 31.823 0.021 0.000 0.974 261 V HN 0.859 nan 8.190 nan 0.000 0.480 262 I N 1.406 121.998 120.570 0.036 0.000 4.323 262 I HA 0.505 4.675 4.170 -0.000 0.000 0.328 262 I C 0.543 176.631 176.117 -0.049 0.000 1.310 262 I CA 0.090 61.394 61.300 0.006 0.000 1.186 262 I CB 0.387 38.399 38.000 0.019 0.000 1.130 262 I HN 0.535 nan 8.210 nan 0.000 0.411 263 K N 1.776 122.126 120.400 -0.084 0.000 2.542 263 K HA 0.632 4.952 4.320 -0.000 0.000 0.259 263 K C -1.919 174.566 176.600 -0.192 0.000 0.932 263 K CA -0.620 55.581 56.287 -0.144 0.000 0.820 263 K CB 2.837 35.289 32.500 -0.080 0.000 1.345 263 K HN 0.185 nan 8.250 nan 0.000 0.432 264 I N 3.844 124.232 120.570 -0.303 0.000 2.468 264 I HA 0.241 4.411 4.170 -0.000 0.000 0.284 264 I C -0.864 175.171 176.117 -0.137 0.000 1.038 264 I CA -0.669 60.473 61.300 -0.264 0.000 1.083 264 I CB 2.025 39.745 38.000 -0.466 0.000 1.223 264 I HN 0.522 nan 8.210 nan 0.000 0.443 265 Q N 5.331 125.090 119.800 -0.068 0.000 2.316 265 Q HA 0.428 4.768 4.340 -0.000 0.000 0.264 265 Q C -0.725 175.270 176.000 -0.008 0.000 0.987 265 Q CA -0.836 54.953 55.803 -0.022 0.000 0.852 265 Q CB 3.164 31.888 28.738 -0.023 0.000 1.287 265 Q HN 0.381 nan 8.270 nan 0.000 0.448 266 K N 2.214 122.623 120.400 0.016 0.000 2.183 266 K HA 0.329 4.649 4.320 -0.000 0.000 0.274 266 K C -1.087 175.515 176.600 0.004 0.000 1.009 266 K CA -0.330 55.965 56.287 0.012 0.000 0.888 266 K CB 0.615 33.137 32.500 0.035 0.000 1.078 266 K HN 0.460 nan 8.250 nan 0.000 0.459 267 N N 3.316 122.011 118.700 -0.008 0.000 2.617 267 N HA 0.324 5.064 4.740 -0.000 0.000 0.263 267 N C -0.605 174.898 175.510 -0.011 0.000 1.074 267 N CA 0.409 53.454 53.050 -0.008 0.000 0.841 267 N CB 1.741 40.222 38.487 -0.011 0.000 1.221 267 N HN 0.865 nan 8.380 nan 0.000 0.529 268 A N 2.069 124.886 122.820 -0.005 0.000 5.150 268 A HA -0.328 3.992 4.320 -0.000 0.000 0.324 268 A C 0.725 178.299 177.584 -0.017 0.000 1.862 268 A CA 1.485 53.518 52.037 -0.006 0.000 0.710 268 A CB -1.069 17.927 19.000 -0.007 0.000 1.367 268 A HN 0.631 nan 8.150 nan 0.000 0.380 269 E N 0.297 120.479 120.200 -0.029 0.000 2.501 269 E HA 0.206 4.556 4.350 -0.000 0.000 0.200 269 E C -0.231 176.312 176.600 -0.095 0.000 1.016 269 E CA -0.196 56.170 56.400 -0.057 0.000 0.921 269 E CB 0.359 30.029 29.700 -0.049 0.000 1.034 269 E HN 0.353 nan 8.360 nan 0.000 0.468 270 K N 0.968 121.326 120.400 -0.071 0.000 2.281 270 K HA 0.533 4.853 4.320 -0.000 0.000 0.242 270 K C -0.561 175.997 176.600 -0.070 0.000 0.971 270 K CA -0.928 55.310 56.287 -0.081 0.000 0.834 270 K CB 2.629 35.099 32.500 -0.049 0.000 1.181 270 K HN -0.190 nan 8.250 nan 0.000 0.435 271 V N 1.232 121.098 119.914 -0.081 0.000 2.577 271 V HA 0.325 4.445 4.120 -0.000 0.000 0.303 271 V C -0.399 175.656 176.094 -0.064 0.000 1.042 271 V CA -0.841 61.422 62.300 -0.061 0.000 0.872 271 V CB 1.927 33.715 31.823 -0.058 0.000 0.998 271 V HN 0.698 nan 8.190 nan 0.000 0.423 272 T N 4.233 118.758 114.554 -0.048 0.000 2.767 272 T HA 0.549 4.899 4.350 -0.000 0.000 0.284 272 T C -0.265 174.406 174.700 -0.049 0.000 0.973 272 T CA -0.310 61.764 62.100 -0.045 0.000 0.996 272 T CB 1.475 70.323 68.868 -0.034 0.000 0.927 272 T HN 0.384 nan 8.240 nan 0.000 0.456 273 V N 4.721 124.615 119.914 -0.032 0.000 2.357 273 V HA 0.363 4.482 4.120 -0.000 0.000 0.284 273 V C 0.050 176.172 176.094 0.047 0.000 1.018 273 V CA -0.768 61.526 62.300 -0.010 0.000 0.841 273 V CB 1.405 33.227 31.823 -0.002 0.000 0.991 273 V HN 0.687 nan 8.190 nan 0.000 0.437 274 V N 6.607 126.523 119.914 0.003 0.000 2.481 274 V HA 0.604 4.724 4.120 -0.000 0.000 0.286 274 V C -0.531 175.595 176.094 0.054 0.000 1.042 274 V CA -0.502 61.775 62.300 -0.038 0.000 0.928 274 V CB 1.092 32.875 31.823 -0.067 0.000 0.986 274 V HN 0.899 nan 8.190 nan 0.000 0.462 275 Y N 1.736 122.023 120.300 -0.022 0.000 2.571 275 Y HA 0.706 5.256 4.550 -0.000 0.000 0.341 275 Y C -0.688 175.217 175.900 0.008 0.000 1.076 275 Y CA -1.498 56.597 58.100 -0.009 0.000 1.029 275 Y CB 1.458 39.913 38.460 -0.007 0.000 1.308 275 Y HN 0.680 nan 8.280 nan 0.000 0.461 276 Q N 1.670 121.577 119.800 0.178 0.000 2.256 276 Q HA 0.603 4.943 4.340 -0.000 0.000 0.257 276 Q C -0.432 175.691 176.000 0.204 0.000 0.936 276 Q CA -0.786 55.080 55.803 0.105 0.000 0.903 276 Q CB 2.219 30.994 28.738 0.063 0.000 1.263 276 Q HN 0.845 nan 8.270 nan 0.000 0.440 277 T N -1.149 113.500 114.554 0.158 0.000 2.862 277 T HA 0.307 4.657 4.350 -0.000 0.000 0.276 277 T C -1.700 173.060 174.700 0.099 0.000 0.974 277 T CA -1.620 60.581 62.100 0.169 0.000 0.966 277 T CB 0.602 69.564 68.868 0.157 0.000 1.072 277 T HN 0.301 nan 8.240 nan 0.000 0.538 278 P HA -0.275 nan 4.420 nan 0.000 0.219 278 P C 1.680 179.007 177.300 0.045 0.000 1.159 278 P CA 2.425 65.559 63.100 0.056 0.000 0.944 278 P CB -0.575 31.151 31.700 0.044 0.000 0.792 279 A N -0.107 122.735 122.820 0.038 0.000 1.862 279 A HA -0.231 4.089 4.320 -0.000 0.000 0.214 279 A C 1.339 178.939 177.584 0.027 0.000 1.228 279 A CA 3.368 55.421 52.037 0.026 0.000 0.665 279 A CB -0.872 18.140 19.000 0.020 0.000 0.845 279 A HN 0.443 nan 8.150 nan 0.000 0.459 280 K N -1.797 118.618 120.400 0.024 0.000 2.595 280 K HA 0.058 4.378 4.320 -0.000 0.000 0.113 280 K C -1.122 175.482 176.600 0.008 0.000 1.480 280 K CA 0.056 56.356 56.287 0.020 0.000 1.012 280 K CB -0.958 31.551 32.500 0.015 0.000 1.477 280 K HN 0.519 nan 8.250 nan 0.000 0.347 281 E N 2.344 122.547 120.200 0.005 0.000 2.283 281 E HA 0.360 4.710 4.350 -0.000 0.000 0.278 281 E C -0.377 176.197 176.600 -0.045 0.000 1.027 281 E CA -0.331 56.059 56.400 -0.017 0.000 0.843 281 E CB 1.127 30.820 29.700 -0.012 0.000 1.062 281 E HN 0.157 nan 8.360 nan 0.000 0.401 282 M N 2.061 121.614 119.600 -0.077 0.000 2.264 282 M HA 0.524 5.004 4.480 -0.000 0.000 0.352 282 M C -0.316 175.845 176.300 -0.233 0.000 1.173 282 M CA -0.392 54.820 55.300 -0.146 0.000 1.075 282 M CB 1.618 34.153 32.600 -0.108 0.000 1.621 282 M HN 0.610 nan 8.290 nan 0.000 0.457 283 A N 1.857 124.392 122.820 -0.474 0.000 2.485 283 A HA 0.947 5.267 4.320 -0.000 0.000 0.292 283 A C -0.835 176.356 177.584 -0.656 0.000 1.147 283 A CA -0.593 51.119 52.037 -0.542 0.000 0.750 283 A CB 1.728 20.366 19.000 -0.602 0.000 1.331 283 A HN 0.812 nan 8.150 nan 0.000 0.419 284 S N -1.102 114.393 115.700 -0.340 0.000 2.588 284 S HA 0.781 5.251 4.470 -0.000 0.000 0.275 284 S C -1.328 173.288 174.600 0.027 0.000 1.130 284 S CA -0.455 57.657 58.200 -0.146 0.000 0.855 284 S CB 1.270 64.415 63.200 -0.092 0.000 1.116 284 S HN 2.141 nan 8.310 nan 0.000 0.472 285 V N 1.049 121.012 119.914 0.082 0.000 2.808 285 V HA 0.744 4.864 4.120 -0.000 0.000 0.308 285 V C -1.166 174.925 176.094 -0.004 0.000 1.099 285 V CA -0.080 62.268 62.300 0.080 0.000 0.920 285 V CB 2.112 34.000 31.823 0.108 0.000 1.014 285 V HN 1.134 nan 8.190 nan 0.000 0.425 286 T N 6.295 120.844 114.554 -0.010 0.000 2.771 286 T HA 0.869 5.219 4.350 -0.000 0.000 0.281 286 T C -0.025 174.599 174.700 -0.127 0.000 0.982 286 T CA 0.336 62.406 62.100 -0.049 0.000 0.978 286 T CB 1.367 70.232 68.868 -0.006 0.000 0.930 286 T HN 1.259 nan 8.240 nan 0.000 0.447 287 A N 2.102 124.804 122.820 -0.196 0.000 2.475 287 A HA 0.724 5.044 4.320 -0.000 0.000 0.281 287 A C 0.309 177.797 177.584 -0.160 0.000 1.263 287 A CA -0.637 51.233 52.037 -0.278 0.000 0.776 287 A CB 0.956 19.684 19.000 -0.454 0.000 1.347 287 A HN 0.681 nan 8.150 nan 0.000 0.443 288 D N -1.515 118.793 120.400 -0.153 0.000 2.262 288 D HA 0.168 4.808 4.640 -0.000 0.000 0.212 288 D C -0.707 175.240 176.300 -0.589 0.000 0.964 288 D CA 1.645 55.448 54.000 -0.328 0.000 0.875 288 D CB 0.241 40.876 40.800 -0.276 0.000 0.996 288 D HN 0.437 nan 8.370 nan 0.000 0.497 289 Y N -0.476 119.809 120.300 -0.025 0.000 2.581 289 Y HA 0.458 5.008 4.550 -0.000 0.000 0.345 289 Y C -0.314 175.567 175.900 -0.032 0.000 1.036 289 Y CA -1.006 57.098 58.100 0.007 0.000 1.042 289 Y CB 2.216 40.669 38.460 -0.011 0.000 1.289 289 Y HN -0.418 nan 8.280 nan 0.000 0.471 290 V N 3.599 123.624 119.914 0.184 0.000 2.760 290 V HA 0.506 4.626 4.120 -0.000 0.000 0.309 290 V C -0.818 175.308 176.094 0.053 0.000 1.077 290 V CA -0.881 61.453 62.300 0.056 0.000 0.910 290 V CB 2.224 34.047 31.823 0.000 0.000 1.008 290 V HN 0.559 nan 8.190 nan 0.000 0.424 291 I N 4.200 124.768 120.570 -0.004 0.000 2.411 291 I HA 0.394 4.564 4.170 -0.000 0.000 0.284 291 I C -0.525 175.558 176.117 -0.056 0.000 1.012 291 I CA -0.812 60.470 61.300 -0.030 0.000 1.119 291 I CB 1.942 39.938 38.000 -0.007 0.000 1.261 291 I HN 0.263 nan 8.210 nan 0.000 0.448 292 V N 5.663 125.493 119.914 -0.140 0.000 2.408 292 V HA 0.072 4.192 4.120 -0.000 0.000 0.267 292 V C 0.349 176.513 176.094 0.118 0.000 1.047 292 V CA -0.124 62.179 62.300 0.005 0.000 0.937 292 V CB 0.967 32.829 31.823 0.064 0.000 0.999 292 V HN 0.909 nan 8.190 nan 0.000 0.472 293 C N 3.608 122.980 119.300 0.120 0.000 2.741 293 C HA 0.299 4.759 4.460 -0.000 0.000 0.267 293 C C 1.291 176.381 174.990 0.167 0.000 1.549 293 C CA -0.439 58.661 59.018 0.138 0.000 1.772 293 C CB -1.166 26.617 27.740 0.071 0.000 2.962 293 C HN 0.947 nan 8.230 nan 0.000 0.514 294 T N -1.267 113.416 114.554 0.215 0.000 2.912 294 T HA 0.536 4.886 4.350 -0.000 0.000 0.280 294 T C 0.465 175.310 174.700 0.242 0.000 0.989 294 T CA -0.058 62.154 62.100 0.186 0.000 0.995 294 T CB 0.947 69.911 68.868 0.160 0.000 1.077 294 T HN 0.418 nan 8.240 nan 0.000 0.531 295 T N -0.468 114.160 114.554 0.123 0.000 2.748 295 T HA 0.185 4.535 4.350 -0.000 0.000 0.304 295 T C 1.728 176.307 174.700 -0.202 0.000 1.041 295 T CA -0.146 61.949 62.100 -0.008 0.000 1.033 295 T CB 0.270 69.106 68.868 -0.054 0.000 0.995 295 T HN 0.879 nan 8.240 nan 0.000 0.536 296 S N 1.033 116.401 115.700 -0.554 0.000 2.382 296 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 296 S C 1.938 176.464 174.600 -0.122 0.000 1.027 296 S CA 0.406 58.375 58.200 -0.384 0.000 0.991 296 S CB -0.486 62.523 63.200 -0.318 0.000 0.823 296 S HN 0.732 nan 8.310 nan 0.000 0.469 297 R N 1.427 121.841 120.500 -0.143 0.000 2.119 297 R HA 0.225 4.565 4.340 -0.000 0.000 0.222 297 R C 2.688 178.967 176.300 -0.035 0.000 1.088 297 R CA 1.005 57.047 56.100 -0.097 0.000 0.984 297 R CB -0.701 29.494 30.300 -0.176 0.000 0.884 297 R HN 0.564 nan 8.270 nan 0.000 0.447 298 A N 0.831 123.638 122.820 -0.022 0.000 1.969 298 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 298 A C 2.083 179.727 177.584 0.101 0.000 1.169 298 A CA 1.558 53.623 52.037 0.046 0.000 0.635 298 A CB -0.579 18.466 19.000 0.075 0.000 0.810 298 A HN 0.207 nan 8.150 nan 0.000 0.445 299 T N -0.207 114.419 114.554 0.120 0.000 2.788 299 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 299 T C 1.930 176.770 174.700 0.233 0.000 1.044 299 T CA 1.429 63.666 62.100 0.228 0.000 1.139 299 T CB -0.238 68.778 68.868 0.247 0.000 0.867 299 T HN 0.518 nan 8.240 nan 0.000 0.454 300 R N 0.687 121.262 120.500 0.125 0.000 2.241 300 R HA 0.081 4.421 4.340 -0.000 0.000 0.224 300 R C 2.442 178.815 176.300 0.122 0.000 1.101 300 R CA 0.640 56.806 56.100 0.109 0.000 0.995 300 R CB -0.053 30.275 30.300 0.048 0.000 0.870 300 R HN 0.289 nan 8.270 nan 0.000 0.463 301 R N 0.285 120.852 120.500 0.112 0.000 2.236 301 R HA 0.105 4.445 4.340 -0.000 0.000 0.208 301 R C 0.574 176.935 176.300 0.102 0.000 1.036 301 R CA 0.486 56.640 56.100 0.089 0.000 1.001 301 R CB 0.106 30.446 30.300 0.067 0.000 0.896 301 R HN 0.165 nan 8.270 nan 0.000 0.464 302 I N 1.783 122.445 120.570 0.153 0.000 2.428 302 I HA 0.075 4.245 4.170 -0.000 0.000 0.289 302 I C 0.447 176.632 176.117 0.113 0.000 1.019 302 I CA -0.297 61.051 61.300 0.081 0.000 1.351 302 I CB 1.052 39.062 38.000 0.016 0.000 1.412 302 I HN -0.208 nan 8.210 nan 0.000 0.513 303 K N 6.349 126.745 120.400 -0.007 0.000 2.276 303 K HA 0.377 4.697 4.320 -0.000 0.000 0.285 303 K C -1.380 175.185 176.600 -0.057 0.000 1.062 303 K CA -0.291 56.025 56.287 0.049 0.000 0.918 303 K CB 0.551 33.063 32.500 0.020 0.000 1.055 303 K HN 0.277 nan 8.250 nan 0.000 0.477 304 F N 2.715 122.696 119.950 0.052 0.000 2.443 304 F HA 0.299 4.826 4.527 -0.000 0.000 0.335 304 F C 0.001 175.826 175.800 0.042 0.000 1.104 304 F CA -0.478 57.556 58.000 0.057 0.000 1.013 304 F CB 1.776 40.824 39.000 0.081 0.000 1.136 304 F HN 0.443 nan 8.300 nan 0.000 0.470 305 E N 4.975 125.281 120.200 0.177 0.000 2.255 305 E HA 0.262 4.612 4.350 -0.000 0.000 0.256 305 E C -2.599 174.069 176.600 0.113 0.000 0.887 305 E CA -2.026 54.443 56.400 0.115 0.000 0.782 305 E CB 1.970 31.704 29.700 0.056 0.000 1.214 305 E HN 0.247 nan 8.360 nan 0.000 0.417 306 P HA 0.200 nan 4.420 nan 0.000 0.274 306 P C -2.609 174.779 177.300 0.146 0.000 1.256 306 P CA -1.533 61.629 63.100 0.103 0.000 0.795 306 P CB -0.032 31.711 31.700 0.072 0.000 1.038 307 P HA 0.135 nan 4.420 nan 0.000 0.269 307 P C 0.021 177.342 177.300 0.035 0.000 1.209 307 P CA 0.088 63.248 63.100 0.101 0.000 0.776 307 P CB 0.244 31.980 31.700 0.061 0.000 0.876 308 L N 4.160 125.351 121.223 -0.054 0.000 2.483 308 L HA 0.144 4.484 4.340 -0.000 0.000 0.276 308 L C -1.429 175.392 176.870 -0.082 0.000 1.213 308 L CA -1.513 53.233 54.840 -0.157 0.000 0.843 308 L CB -0.455 41.405 42.059 -0.332 0.000 1.107 308 L HN 0.313 nan 8.230 nan 0.000 0.487 309 P HA 0.105 nan 4.420 nan 0.000 0.269 309 P C -2.286 174.991 177.300 -0.038 0.000 1.215 309 P CA -1.314 61.762 63.100 -0.041 0.000 0.780 309 P CB 0.162 31.841 31.700 -0.034 0.000 0.898 310 P HA -0.214 nan 4.420 nan 0.000 0.217 310 P C 1.527 178.852 177.300 0.041 0.000 1.162 310 P CA 2.196 65.299 63.100 0.004 0.000 0.901 310 P CB -0.096 31.607 31.700 0.006 0.000 0.793 311 K N -0.536 119.889 120.400 0.042 0.000 2.057 311 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 311 K C 2.211 178.839 176.600 0.047 0.000 1.049 311 K CA 1.393 57.730 56.287 0.083 0.000 0.931 311 K CB -0.272 32.259 32.500 0.051 0.000 0.714 311 K HN 0.058 nan 8.250 nan 0.000 0.440 312 K N 0.694 121.072 120.400 -0.036 0.000 2.057 312 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 312 K C 2.081 178.608 176.600 -0.122 0.000 1.050 312 K CA 1.157 57.371 56.287 -0.121 0.000 0.935 312 K CB -0.079 32.286 32.500 -0.225 0.000 0.715 312 K HN 0.120 nan 8.250 nan 0.000 0.439 313 A N 0.366 123.135 122.820 -0.085 0.000 1.883 313 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 313 A C 2.024 179.602 177.584 -0.010 0.000 1.186 313 A CA 1.900 53.898 52.037 -0.064 0.000 0.624 313 A CB -1.019 17.955 19.000 -0.043 0.000 0.822 313 A HN 0.611 nan 8.150 nan 0.000 0.444 314 H N -0.707 118.303 119.070 -0.100 0.000 2.321 314 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 314 H C 2.363 177.477 175.328 -0.358 0.000 1.087 314 H CA 1.070 57.045 56.048 -0.122 0.000 1.319 314 H CB -0.017 29.752 29.762 0.012 0.000 1.379 314 H HN 0.477 nan 8.280 nan 0.000 0.501 315 A N 1.072 123.674 122.820 -0.363 0.000 1.908 315 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 315 A C 2.508 179.854 177.584 -0.397 0.000 1.181 315 A CA 1.522 53.124 52.037 -0.724 0.000 0.627 315 A CB -0.867 17.980 19.000 -0.255 0.000 0.818 315 A HN 0.457 nan 8.150 nan 0.000 0.445 316 L N -1.152 119.958 121.223 -0.189 0.000 2.131 316 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 316 L C 2.771 179.599 176.870 -0.070 0.000 1.092 316 L CA 1.734 56.514 54.840 -0.100 0.000 0.759 316 L CB -0.450 41.561 42.059 -0.079 0.000 0.903 316 L HN 0.537 nan 8.230 nan 0.000 0.435 317 R N -0.315 120.144 120.500 -0.068 0.000 2.075 317 R HA -0.067 4.273 4.340 -0.000 0.000 0.226 317 R C 2.144 178.447 176.300 0.005 0.000 1.114 317 R CA 1.569 57.665 56.100 -0.006 0.000 0.972 317 R CB 0.032 30.356 30.300 0.039 0.000 0.869 317 R HN 0.143 nan 8.270 nan 0.000 0.437 318 S N 0.129 115.769 115.700 -0.101 0.000 2.470 318 S HA 0.130 4.600 4.470 -0.000 0.000 0.222 318 S C 0.330 174.938 174.600 0.013 0.000 1.024 318 S CA -0.076 58.091 58.200 -0.055 0.000 0.931 318 S CB 0.535 63.668 63.200 -0.112 0.000 0.791 318 S HN 0.064 nan 8.310 nan 0.000 0.513 319 V N 3.969 123.835 119.914 -0.081 0.000 2.539 319 V HA -0.049 4.071 4.120 -0.000 0.000 0.300 319 V C 0.495 176.740 176.094 0.253 0.000 1.019 319 V CA 0.303 62.690 62.300 0.144 0.000 1.160 319 V CB -0.672 31.242 31.823 0.151 0.000 0.901 319 V HN 0.421 nan 8.190 nan 0.000 0.481 320 H N 4.942 124.125 119.070 0.188 0.000 2.679 320 H HA 0.432 4.988 4.556 -0.000 0.000 0.369 320 H C -0.940 174.396 175.328 0.013 0.000 1.178 320 H CA 0.183 56.346 56.048 0.192 0.000 1.419 320 H CB 0.450 30.356 29.762 0.241 0.000 1.458 320 H HN 0.545 nan 8.280 nan 0.000 0.605 321 Y N 1.375 121.360 120.300 -0.525 0.000 2.512 321 Y HA 0.423 4.973 4.550 -0.000 0.000 0.348 321 Y C -0.032 175.595 175.900 -0.456 0.000 0.990 321 Y CA -0.900 56.991 58.100 -0.349 0.000 1.033 321 Y CB 1.626 39.972 38.460 -0.188 0.000 1.259 321 Y HN 0.492 nan 8.280 nan 0.000 0.461 322 R N 1.101 121.575 120.500 -0.043 0.000 2.514 322 R HA 0.575 4.915 4.340 -0.000 0.000 0.301 322 R C -0.464 175.898 176.300 0.104 0.000 0.962 322 R CA -0.649 55.476 56.100 0.041 0.000 0.882 322 R CB 1.761 32.094 30.300 0.054 0.000 1.143 322 R HN 0.698 nan 8.270 nan 0.000 0.452 323 S N 0.115 115.896 115.700 0.135 0.000 2.580 323 S HA 0.381 4.851 4.470 -0.000 0.000 0.266 323 S C 0.198 174.916 174.600 0.197 0.000 1.354 323 S CA -0.188 58.117 58.200 0.175 0.000 1.008 323 S CB 1.193 64.499 63.200 0.177 0.000 0.898 323 S HN 0.758 nan 8.310 nan 0.000 0.555 324 G N 0.669 109.642 108.800 0.288 0.000 2.684 324 G HA2 0.526 4.486 3.960 -0.000 0.000 0.289 324 G HA3 0.526 4.486 3.960 -0.000 0.000 0.289 324 G C -1.237 173.945 174.900 0.469 0.000 1.416 324 G CA -0.450 44.880 45.100 0.383 0.000 1.235 324 G HN 0.569 nan 8.290 nan 0.000 0.576 325 T N 1.977 116.780 114.554 0.415 0.000 2.921 325 T HA 0.539 4.889 4.350 -0.000 0.000 0.297 325 T C -0.465 174.386 174.700 0.252 0.000 1.013 325 T CA -0.623 61.647 62.100 0.282 0.000 0.990 325 T CB 1.923 70.914 68.868 0.205 0.000 1.023 325 T HN 0.415 nan 8.240 nan 0.000 0.447 326 K N 2.723 123.171 120.400 0.080 0.000 2.345 326 K HA 0.660 4.980 4.320 -0.000 0.000 0.255 326 K C -0.930 175.459 176.600 -0.353 0.000 0.934 326 K CA -0.711 55.469 56.287 -0.178 0.000 0.801 326 K CB 2.182 34.494 32.500 -0.314 0.000 1.137 326 K HN 0.482 nan 8.250 nan 0.000 0.424 327 I N 3.430 123.698 120.570 -0.503 0.000 2.406 327 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 327 I C -0.880 174.943 176.117 -0.490 0.000 0.999 327 I CA -0.840 60.248 61.300 -0.352 0.000 1.124 327 I CB 0.891 38.684 38.000 -0.344 0.000 1.289 327 I HN 0.362 nan 8.210 nan 0.000 0.441 328 F N 6.191 126.137 119.950 -0.006 0.000 2.492 328 F HA 0.647 5.174 4.527 -0.000 0.000 0.327 328 F C -0.484 175.255 175.800 -0.101 0.000 1.079 328 F CA -0.902 57.066 58.000 -0.053 0.000 0.967 328 F CB 1.468 40.447 39.000 -0.035 0.000 1.169 328 F HN 0.119 nan 8.300 nan 0.000 0.472 329 L N 1.801 123.025 121.223 0.001 0.000 2.409 329 L HA 0.525 4.865 4.340 -0.000 0.000 0.272 329 L C -0.401 176.315 176.870 -0.258 0.000 0.980 329 L CA -0.266 54.496 54.840 -0.130 0.000 0.826 329 L CB 2.242 44.275 42.059 -0.043 0.000 1.268 329 L HN 0.561 nan 8.230 nan 0.000 0.407 330 T N 2.019 116.250 114.554 -0.537 0.000 2.749 330 T HA 0.476 4.826 4.350 -0.000 0.000 0.287 330 T C -0.601 173.956 174.700 -0.238 0.000 0.970 330 T CA -0.265 61.461 62.100 -0.623 0.000 0.980 330 T CB 0.418 68.587 68.868 -1.166 0.000 0.924 330 T HN 0.526 nan 8.240 nan 0.000 0.456 331 c N 3.086 121.665 118.600 -0.036 0.000 2.379 331 c HA 0.450 5.020 4.570 -0.000 0.000 0.323 331 c C 2.075 176.213 174.090 0.080 0.000 1.262 331 c CA -0.797 55.610 56.329 0.130 0.000 1.581 331 c CB 0.855 43.532 42.510 0.277 0.000 2.221 331 c HN 1.053 nan 8.230 nan 0.000 0.497 332 T N -1.736 112.886 114.554 0.113 0.000 3.067 332 T HA 0.010 4.360 4.350 -0.000 0.000 0.261 332 T C 0.488 175.177 174.700 -0.018 0.000 1.110 332 T CA 0.787 62.929 62.100 0.069 0.000 1.113 332 T CB 0.176 69.109 68.868 0.108 0.000 0.917 332 T HN 0.679 nan 8.240 nan 0.000 0.499 333 K N 1.689 122.050 120.400 -0.064 0.000 2.535 333 K HA 0.268 4.588 4.320 -0.000 0.000 0.253 333 K C -1.036 175.312 176.600 -0.421 0.000 0.953 333 K CA -0.475 55.641 56.287 -0.286 0.000 0.863 333 K CB 1.004 33.189 32.500 -0.525 0.000 1.111 333 K HN 0.103 nan 8.250 nan 0.000 0.431 334 K N 5.656 125.665 120.400 -0.651 0.000 2.155 334 K HA 0.054 4.374 4.320 -0.000 0.000 0.240 334 K C 1.002 176.790 176.600 -1.354 0.000 1.193 334 K CA -0.209 55.214 56.287 -1.440 0.000 1.104 334 K CB -0.343 31.294 32.500 -1.438 0.000 1.558 334 K HN 0.493 nan 8.250 nan 0.000 0.313 335 F N -0.164 119.313 119.950 -0.788 0.000 2.192 335 F HA -0.211 4.316 4.527 -0.000 0.000 0.301 335 F C 1.613 177.216 175.800 -0.329 0.000 1.079 335 F CA 0.465 58.190 58.000 -0.458 0.000 1.303 335 F CB -0.828 38.074 39.000 -0.164 0.000 1.024 335 F HN 0.475 nan 8.300 nan 0.000 0.494 336 W N 1.388 122.264 121.300 -0.706 0.000 2.425 336 W HA 0.054 4.714 4.660 -0.000 0.000 0.277 336 W C 1.658 177.975 176.519 -0.337 0.000 1.231 336 W CA 1.029 58.089 57.345 -0.474 0.000 1.248 336 W CB -1.223 27.813 29.460 -0.707 0.000 1.117 336 W HN 0.102 nan 8.180 nan 0.000 0.568 337 E N 0.935 120.679 120.200 -0.760 0.000 2.110 337 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 337 E C 1.369 177.795 176.600 -0.290 0.000 0.988 337 E CA 1.496 57.578 56.400 -0.530 0.000 0.804 337 E CB -0.431 28.968 29.700 -0.502 0.000 0.745 337 E HN 0.261 nan 8.360 nan 0.000 0.458 338 D N 0.901 121.168 120.400 -0.221 0.000 2.389 338 D HA -0.123 4.517 4.640 -0.000 0.000 0.221 338 D C 0.742 177.027 176.300 -0.026 0.000 0.974 338 D CA 0.904 54.847 54.000 -0.095 0.000 0.923 338 D CB -0.075 40.690 40.800 -0.059 0.000 0.892 338 D HN 0.359 nan 8.370 nan 0.000 0.518 339 E N -0.790 119.398 120.200 -0.020 0.000 2.501 339 E HA 0.299 4.649 4.350 -0.000 0.000 0.200 339 E C 0.920 177.483 176.600 -0.062 0.000 1.016 339 E CA 0.001 56.423 56.400 0.037 0.000 0.921 339 E CB 0.753 30.564 29.700 0.186 0.000 1.034 339 E HN 0.116 nan 8.360 nan 0.000 0.468 340 G N 2.181 110.898 108.800 -0.139 0.000 2.198 340 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 340 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 340 G C 0.083 174.786 174.900 -0.329 0.000 1.042 340 G CA -0.030 44.962 45.100 -0.181 0.000 0.791 340 G HN 0.283 nan 8.290 nan 0.000 0.502 341 I N 1.575 121.882 120.570 -0.438 0.000 2.312 341 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 341 I C -0.094 175.724 176.117 -0.499 0.000 1.008 341 I CA -0.718 60.349 61.300 -0.389 0.000 1.226 341 I CB 0.924 38.700 38.000 -0.373 0.000 1.371 341 I HN 0.088 nan 8.210 nan 0.000 0.468 342 H N 5.416 124.485 119.070 -0.002 0.000 2.970 342 H HA 0.437 4.993 4.556 -0.000 0.000 0.315 342 H C 0.468 175.796 175.328 0.000 0.000 0.992 342 H CA -0.102 55.967 56.048 0.035 0.000 1.363 342 H CB 1.543 31.308 29.762 0.005 0.000 1.532 342 H HN 0.880 nan 8.280 nan 0.000 0.514 343 G N 2.054 110.907 108.800 0.088 0.000 2.642 343 G HA2 0.114 4.074 3.960 -0.000 0.000 0.231 343 G HA3 0.114 4.074 3.960 -0.000 0.000 0.231 343 G C 0.350 175.266 174.900 0.027 0.000 1.338 343 G CA 0.037 45.132 45.100 -0.009 0.000 0.883 343 G HN 1.418 nan 8.290 nan 0.000 0.570 344 G N -1.119 107.667 108.800 -0.024 0.000 2.698 344 G HA2 0.421 4.381 3.960 -0.000 0.000 0.233 344 G HA3 0.421 4.381 3.960 -0.000 0.000 0.233 344 G C -0.112 174.807 174.900 0.033 0.000 1.352 344 G CA 1.362 46.473 45.100 0.017 0.000 0.879 344 G HN 2.582 nan 8.290 nan 0.000 0.567 345 K N -2.113 118.266 120.400 -0.035 0.000 2.579 345 K HA 0.761 5.081 4.320 -0.000 0.000 0.284 345 K C -0.867 175.690 176.600 -0.071 0.000 0.990 345 K CA -0.706 55.449 56.287 -0.221 0.000 0.880 345 K CB 1.457 33.487 32.500 -0.782 0.000 1.488 345 K HN 0.740 nan 8.250 nan 0.000 0.425 346 S N 0.410 116.075 115.700 -0.058 0.000 2.549 346 S HA 0.544 5.014 4.470 -0.000 0.000 0.297 346 S C -0.969 173.536 174.600 -0.158 0.000 1.115 346 S CA -0.602 57.574 58.200 -0.040 0.000 1.059 346 S CB 1.724 65.016 63.200 0.153 0.000 1.046 346 S HN 0.536 nan 8.310 nan 0.000 0.506 347 T N 1.939 116.333 114.554 -0.267 0.000 2.807 347 T HA 0.689 5.039 4.350 -0.000 0.000 0.279 347 T C -0.284 174.334 174.700 -0.138 0.000 0.993 347 T CA -0.498 61.433 62.100 -0.282 0.000 0.970 347 T CB 1.707 70.449 68.868 -0.210 0.000 0.950 347 T HN 0.550 nan 8.240 nan 0.000 0.441 348 T N 0.562 114.976 114.554 -0.233 0.000 2.816 348 T HA 0.415 4.765 4.350 -0.000 0.000 0.299 348 T C -0.657 173.960 174.700 -0.139 0.000 1.230 348 T CA -0.725 61.346 62.100 -0.048 0.000 1.007 348 T CB 1.468 70.371 68.868 0.059 0.000 1.289 348 T HN 0.597 nan 8.240 nan 0.000 0.508 349 D N 1.502 121.874 120.400 -0.047 0.000 2.363 349 D HA 0.216 4.856 4.640 -0.000 0.000 0.214 349 D C 0.702 176.949 176.300 -0.089 0.000 1.093 349 D CA -0.115 53.835 54.000 -0.083 0.000 0.837 349 D CB -0.233 40.534 40.800 -0.056 0.000 0.948 349 D HN 0.365 nan 8.370 nan 0.000 0.507 350 L N 0.212 121.407 121.223 -0.046 0.000 2.466 350 L HA 0.230 4.570 4.340 -0.000 0.000 0.257 350 L C -1.098 175.677 176.870 -0.158 0.000 1.189 350 L CA -1.900 52.900 54.840 -0.068 0.000 0.813 350 L CB 0.537 42.602 42.059 0.009 0.000 1.118 350 L HN -0.275 nan 8.230 nan 0.000 0.471 351 P HA -0.197 nan 4.420 nan 0.000 0.218 351 P C 1.441 178.757 177.300 0.027 0.000 1.152 351 P CA 1.324 64.210 63.100 -0.356 0.000 0.857 351 P CB 0.196 31.585 31.700 -0.518 0.000 0.787 352 S N -1.743 114.016 115.700 0.098 0.000 2.399 352 S HA -0.173 4.297 4.470 -0.000 0.000 0.231 352 S C 1.246 175.858 174.600 0.020 0.000 1.022 352 S CA 1.061 59.332 58.200 0.118 0.000 0.983 352 S CB -0.404 62.814 63.200 0.030 0.000 0.803 352 S HN 0.023 nan 8.310 nan 0.000 0.480 353 R N -1.108 119.313 120.500 -0.131 0.000 1.247 353 R HA -0.209 4.131 4.340 -0.000 0.000 0.031 353 R C -0.592 175.257 176.300 -0.750 0.000 0.958 353 R CA 2.061 57.917 56.100 -0.407 0.000 1.979 353 R CB -1.466 28.680 30.300 -0.255 0.000 0.185 353 R HN 0.488 nan 8.270 nan 0.000 0.728 354 F N 0.670 120.599 119.950 -0.035 0.000 2.536 354 F HA 0.507 5.034 4.527 -0.000 0.000 0.322 354 F C 0.128 175.857 175.800 -0.119 0.000 1.144 354 F CA -0.855 57.081 58.000 -0.106 0.000 0.924 354 F CB 1.516 40.487 39.000 -0.048 0.000 1.181 354 F HN -0.120 nan 8.300 nan 0.000 0.438 355 I N 4.325 124.816 120.570 -0.132 0.000 2.330 355 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 355 I C -0.750 175.004 176.117 -0.605 0.000 1.001 355 I CA -0.942 60.186 61.300 -0.287 0.000 1.193 355 I CB 0.704 38.520 38.000 -0.306 0.000 1.345 355 I HN 0.482 nan 8.210 nan 0.000 0.461 356 Y N 5.894 125.930 120.300 -0.440 0.000 2.342 356 Y HA 0.410 4.960 4.550 -0.000 0.000 0.334 356 Y C -0.221 175.226 175.900 -0.756 0.000 1.067 356 Y CA -0.288 57.547 58.100 -0.441 0.000 1.128 356 Y CB 1.247 39.633 38.460 -0.122 0.000 1.200 356 Y HN 0.334 nan 8.280 nan 0.000 0.464 357 Y N 3.958 124.118 120.300 -0.232 0.000 2.361 357 Y HA 0.379 4.929 4.550 -0.000 0.000 0.332 357 Y C -2.063 173.642 175.900 -0.326 0.000 1.101 357 Y CA -3.072 54.720 58.100 -0.512 0.000 1.137 357 Y CB 0.597 38.699 38.460 -0.596 0.000 1.207 357 Y HN 0.413 nan 8.280 nan 0.000 0.463 358 P HA 0.007 nan 4.420 nan 0.000 0.269 358 P C -0.427 176.757 177.300 -0.194 0.000 1.209 358 P CA 0.060 63.019 63.100 -0.235 0.000 0.776 358 P CB 1.045 32.569 31.700 -0.293 0.000 0.876 359 N N 0.371 118.925 118.700 -0.243 0.000 2.205 359 N HA 0.036 4.776 4.740 -0.000 0.000 0.201 359 N C 0.452 175.955 175.510 -0.013 0.000 1.128 359 N CA 0.123 53.120 53.050 -0.087 0.000 0.867 359 N CB 0.255 38.705 38.487 -0.061 0.000 0.996 359 N HN 0.658 nan 8.380 nan 0.000 0.503 360 H N -1.466 117.572 119.070 -0.053 0.000 2.907 360 H HA 0.473 5.029 4.556 -0.000 0.000 0.361 360 H C -0.885 174.311 175.328 -0.220 0.000 1.194 360 H CA -0.648 55.320 56.048 -0.134 0.000 1.152 360 H CB 1.018 30.668 29.762 -0.187 0.000 1.867 360 H HN -0.227 nan 8.280 nan 0.000 0.561 361 N N -0.016 118.591 118.700 -0.155 0.000 2.381 361 N HA 0.380 5.120 4.740 -0.000 0.000 0.294 361 N C -1.319 174.041 175.510 -0.249 0.000 1.216 361 N CA -0.385 52.569 53.050 -0.159 0.000 0.803 361 N CB 2.219 40.687 38.487 -0.031 0.000 1.372 361 N HN 0.267 nan 8.380 nan 0.000 0.500 362 F N -0.191 119.832 119.950 0.122 0.000 2.532 362 F HA 0.311 4.838 4.527 -0.000 0.000 0.321 362 F C 1.824 177.686 175.800 0.103 0.000 1.089 362 F CA -0.635 57.447 58.000 0.136 0.000 0.926 362 F CB 1.587 40.684 39.000 0.162 0.000 1.168 362 F HN 0.367 nan 8.300 nan 0.000 0.459 363 T N -0.163 114.577 114.554 0.309 0.000 2.665 363 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 363 T C 2.118 176.921 174.700 0.172 0.000 1.035 363 T CA 2.185 64.398 62.100 0.188 0.000 1.151 363 T CB -0.354 68.608 68.868 0.157 0.000 0.862 363 T HN 0.682 nan 8.240 nan 0.000 0.438 364 S N 0.694 116.515 115.700 0.202 0.000 2.465 364 S HA 0.075 4.545 4.470 -0.000 0.000 0.241 364 S C 2.022 176.710 174.600 0.147 0.000 1.000 364 S CA 1.167 59.462 58.200 0.158 0.000 0.964 364 S CB -0.786 62.510 63.200 0.161 0.000 0.763 364 S HN 0.893 nan 8.310 nan 0.000 0.512 365 G N 0.310 109.218 108.800 0.181 0.000 2.176 365 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.253 365 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.253 365 G C 0.260 175.231 174.900 0.119 0.000 0.979 365 G CA 0.289 45.464 45.100 0.125 0.000 0.641 365 G HN 1.590 nan 8.290 nan 0.000 0.530 366 V N -0.945 119.072 119.914 0.172 0.000 3.264 366 V HA 0.902 5.022 4.120 -0.000 0.000 0.304 366 V C 0.760 176.980 176.094 0.209 0.000 1.086 366 V CA 0.176 62.547 62.300 0.119 0.000 1.090 366 V CB 1.722 33.555 31.823 0.017 0.000 1.112 366 V HN 1.546 nan 8.190 nan 0.000 0.472 367 G N 0.584 109.482 108.800 0.163 0.000 2.662 367 G HA2 0.599 4.559 3.960 -0.000 0.000 0.302 367 G HA3 0.599 4.559 3.960 -0.000 0.000 0.302 367 G C -1.417 173.595 174.900 0.188 0.000 1.389 367 G CA -0.613 44.674 45.100 0.310 0.000 0.998 367 G HN 0.981 nan 8.290 nan 0.000 0.502 368 V N 3.402 123.373 119.914 0.094 0.000 2.347 368 V HA 0.397 4.517 4.120 -0.000 0.000 0.280 368 V C 0.197 176.224 176.094 -0.111 0.000 1.021 368 V CA -0.546 61.726 62.300 -0.046 0.000 0.847 368 V CB 1.009 32.848 31.823 0.026 0.000 0.990 368 V HN 0.599 nan 8.190 nan 0.000 0.444 369 I N 5.733 126.180 120.570 -0.206 0.000 2.499 369 I HA 0.493 4.663 4.170 -0.000 0.000 0.296 369 I C -0.385 175.605 176.117 -0.211 0.000 0.992 369 I CA -0.368 60.712 61.300 -0.365 0.000 1.297 369 I CB 1.491 39.255 38.000 -0.393 0.000 1.410 369 I HN 0.426 nan 8.210 nan 0.000 0.507 370 I N 4.538 124.958 120.570 -0.250 0.000 2.498 370 I HA 0.488 4.658 4.170 -0.000 0.000 0.290 370 I C -0.230 175.789 176.117 -0.163 0.000 1.032 370 I CA -0.672 60.472 61.300 -0.260 0.000 1.073 370 I CB 2.004 39.880 38.000 -0.206 0.000 1.251 370 I HN 0.557 nan 8.210 nan 0.000 0.426 371 A N 5.967 128.666 122.820 -0.202 0.000 2.260 371 A HA 0.660 4.980 4.320 -0.000 0.000 0.314 371 A C -1.498 176.112 177.584 0.044 0.000 1.257 371 A CA -0.270 51.727 52.037 -0.066 0.000 0.871 371 A CB 0.568 19.488 19.000 -0.134 0.000 1.166 371 A HN 0.598 nan 8.150 nan 0.000 0.522 372 Y N 1.758 122.096 120.300 0.063 0.000 2.386 372 Y HA 0.622 5.172 4.550 -0.000 0.000 0.334 372 Y C 0.006 176.040 175.900 0.223 0.000 1.002 372 Y CA -0.937 57.221 58.100 0.096 0.000 1.068 372 Y CB 1.627 40.141 38.460 0.089 0.000 1.203 372 Y HN 0.886 nan 8.280 nan 0.000 0.443 373 G N 5.682 114.508 108.800 0.043 0.000 2.619 373 G HA2 0.685 4.645 3.960 -0.000 0.000 0.296 373 G HA3 0.685 4.645 3.960 -0.000 0.000 0.296 373 G C -1.564 173.260 174.900 -0.126 0.000 1.334 373 G CA -0.927 44.143 45.100 -0.051 0.000 0.934 373 G HN 0.886 nan 8.290 nan 0.000 0.476 374 I N -1.871 118.632 120.570 -0.112 0.000 3.145 374 I HA 0.908 5.078 4.170 -0.000 0.000 0.313 374 I C 0.932 177.077 176.117 0.045 0.000 1.122 374 I CA -0.433 60.845 61.300 -0.035 0.000 0.987 374 I CB 1.795 39.716 38.000 -0.132 0.000 1.236 374 I HN 1.424 nan 8.210 nan 0.000 0.453 375 G N 2.189 111.043 108.800 0.090 0.000 2.596 375 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.295 375 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.295 375 G C 0.336 175.336 174.900 0.167 0.000 1.240 375 G CA 0.862 46.051 45.100 0.148 0.000 0.985 375 G HN 0.849 nan 8.290 nan 0.000 0.555 376 D N 0.816 121.325 120.400 0.181 0.000 2.263 376 D HA -0.015 4.625 4.640 -0.000 0.000 0.208 376 D C 2.005 178.389 176.300 0.140 0.000 0.971 376 D CA 1.354 55.450 54.000 0.161 0.000 0.867 376 D CB -0.279 40.614 40.800 0.156 0.000 0.929 376 D HN 0.416 nan 8.370 nan 0.000 0.492 377 D N 0.447 120.915 120.400 0.114 0.000 2.117 377 D HA -0.087 4.553 4.640 -0.000 0.000 0.198 377 D C 2.039 178.466 176.300 0.212 0.000 0.982 377 D CA 1.096 55.155 54.000 0.098 0.000 0.828 377 D CB -0.146 40.698 40.800 0.074 0.000 0.967 377 D HN 0.148 nan 8.370 nan 0.000 0.464 378 A N 1.278 124.236 122.820 0.231 0.000 1.898 378 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 378 A C 1.952 179.724 177.584 0.313 0.000 1.181 378 A CA 1.137 53.366 52.037 0.321 0.000 0.620 378 A CB -0.460 18.689 19.000 0.247 0.000 0.819 378 A HN 0.100 nan 8.150 nan 0.000 0.442 379 N N -0.730 118.102 118.700 0.220 0.000 2.272 379 N HA -0.180 4.560 4.740 -0.000 0.000 0.185 379 N C 1.320 176.912 175.510 0.137 0.000 1.014 379 N CA 1.397 54.548 53.050 0.169 0.000 0.870 379 N CB -0.649 37.922 38.487 0.140 0.000 0.975 379 N HN 0.566 nan 8.380 nan 0.000 0.433 380 F N 0.786 120.708 119.950 -0.046 0.000 2.120 380 F HA -0.179 4.348 4.527 -0.000 0.000 0.300 380 F C 1.524 177.176 175.800 -0.246 0.000 1.095 380 F CA 1.394 59.264 58.000 -0.216 0.000 1.249 380 F CB -0.310 38.429 39.000 -0.435 0.000 0.995 380 F HN -0.100 nan 8.300 nan 0.000 0.480 381 F N 0.064 120.078 119.950 0.107 0.000 2.789 381 F HA 0.047 4.574 4.527 -0.000 0.000 0.300 381 F C 2.355 178.142 175.800 -0.022 0.000 1.132 381 F CA 0.652 58.658 58.000 0.010 0.000 1.404 381 F CB -1.030 38.040 39.000 0.117 0.000 1.114 381 F HN 0.038 nan 8.300 nan 0.000 0.584 382 Q N 0.868 120.754 119.800 0.145 0.000 2.096 382 Q HA -0.239 4.101 4.340 -0.000 0.000 0.208 382 Q C 2.216 178.241 176.000 0.043 0.000 0.993 382 Q CA 2.212 58.071 55.803 0.095 0.000 0.862 382 Q CB -0.200 28.583 28.738 0.074 0.000 0.915 382 Q HN 0.376 nan 8.270 nan 0.000 0.416 383 A N -0.421 122.391 122.820 -0.013 0.000 2.218 383 A HA 0.189 4.509 4.320 -0.000 0.000 0.209 383 A C 0.479 178.049 177.584 -0.022 0.000 1.168 383 A CA -0.105 51.917 52.037 -0.025 0.000 0.804 383 A CB 0.003 18.970 19.000 -0.054 0.000 0.834 383 A HN 0.296 nan 8.150 nan 0.000 0.482 384 L N 1.523 122.738 121.223 -0.013 0.000 2.371 384 L HA 0.289 4.629 4.340 -0.000 0.000 0.272 384 L C -0.131 176.773 176.870 0.056 0.000 1.124 384 L CA -0.949 53.895 54.840 0.006 0.000 0.816 384 L CB 0.772 42.837 42.059 0.009 0.000 1.129 384 L HN 0.379 nan 8.230 nan 0.000 0.448 385 D N 0.441 120.872 120.400 0.051 0.000 2.377 385 D HA -0.025 4.615 4.640 -0.000 0.000 0.245 385 D C 0.794 177.168 176.300 0.123 0.000 1.196 385 D CA -0.425 53.629 54.000 0.089 0.000 0.962 385 D CB 0.568 41.414 40.800 0.077 0.000 1.127 385 D HN 0.392 nan 8.370 nan 0.000 0.471 386 F N 0.403 120.364 119.950 0.018 0.000 2.091 386 F HA -0.200 4.327 4.527 -0.000 0.000 0.299 386 F C 2.184 178.002 175.800 0.029 0.000 1.103 386 F CA 1.820 59.830 58.000 0.017 0.000 1.228 386 F CB -0.223 38.783 39.000 0.010 0.000 0.984 386 F HN 0.288 nan 8.300 nan 0.000 0.477 387 K N 0.829 121.233 120.400 0.007 0.000 2.074 387 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 387 K C 1.756 178.283 176.600 -0.121 0.000 1.048 387 K CA 2.177 58.416 56.287 -0.080 0.000 0.926 387 K CB -0.782 31.739 32.500 0.035 0.000 0.713 387 K HN 0.286 nan 8.250 nan 0.000 0.444 388 D N -0.507 119.862 120.400 -0.053 0.000 2.117 388 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 388 D C 2.017 178.318 176.300 0.002 0.000 0.982 388 D CA 1.202 55.191 54.000 -0.017 0.000 0.828 388 D CB -0.486 40.319 40.800 0.008 0.000 0.967 388 D HN 0.240 nan 8.370 nan 0.000 0.464 389 C N 1.247 120.530 119.300 -0.029 0.000 2.432 389 C HA -0.048 4.412 4.460 -0.000 0.000 0.277 389 C C 2.957 177.851 174.990 -0.160 0.000 1.249 389 C CA 0.819 59.844 59.018 0.012 0.000 1.725 389 C CB -0.992 26.678 27.740 -0.117 0.000 2.028 389 C HN 0.366 nan 8.230 nan 0.000 0.477 390 A N 0.861 123.433 122.820 -0.414 0.000 1.883 390 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 390 A C 1.774 179.258 177.584 -0.166 0.000 1.186 390 A CA 2.316 54.115 52.037 -0.397 0.000 0.624 390 A CB -0.730 17.909 19.000 -0.602 0.000 0.822 390 A HN 0.538 nan 8.150 nan 0.000 0.444 391 D N -0.060 120.273 120.400 -0.112 0.000 2.149 391 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 391 D C 1.805 178.104 176.300 -0.003 0.000 0.990 391 D CA 1.193 55.167 54.000 -0.044 0.000 0.839 391 D CB -0.334 40.451 40.800 -0.024 0.000 0.948 391 D HN 0.552 nan 8.370 nan 0.000 0.460 392 I N 0.109 120.710 120.570 0.051 0.000 2.252 392 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 392 I C 2.366 178.531 176.117 0.080 0.000 1.102 392 I CA 0.536 61.906 61.300 0.116 0.000 1.385 392 I CB -0.093 38.084 38.000 0.294 0.000 1.064 392 I HN -0.101 nan 8.210 nan 0.000 0.414 393 V N 1.107 121.049 119.914 0.046 0.000 2.343 393 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 393 V C 2.299 178.385 176.094 -0.013 0.000 1.051 393 V CA 1.825 64.125 62.300 0.000 0.000 1.036 393 V CB -0.379 31.399 31.823 -0.075 0.000 0.654 393 V HN 0.330 nan 8.190 nan 0.000 0.451 394 I N 0.433 120.988 120.570 -0.025 0.000 2.286 394 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 394 I C 2.348 178.440 176.117 -0.042 0.000 1.115 394 I CA 1.267 62.551 61.300 -0.026 0.000 1.392 394 I CB -0.454 37.526 38.000 -0.033 0.000 1.065 394 I HN 0.370 nan 8.210 nan 0.000 0.418 395 N N 0.801 119.478 118.700 -0.037 0.000 2.142 395 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 395 N C 1.417 176.876 175.510 -0.085 0.000 1.023 395 N CA 1.356 54.373 53.050 -0.054 0.000 0.852 395 N CB -0.396 38.072 38.487 -0.030 0.000 0.998 395 N HN 0.325 nan 8.380 nan 0.000 0.424 396 D N 1.000 121.361 120.400 -0.065 0.000 2.117 396 D HA -0.055 4.585 4.640 -0.000 0.000 0.197 396 D C 2.200 178.418 176.300 -0.137 0.000 0.987 396 D CA 0.436 54.371 54.000 -0.108 0.000 0.829 396 D CB -0.355 40.415 40.800 -0.050 0.000 0.961 396 D HN 0.206 nan 8.370 nan 0.000 0.460 397 L N 0.406 121.603 121.223 -0.043 0.000 2.083 397 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 397 L C 2.538 179.389 176.870 -0.031 0.000 1.083 397 L CA 0.818 55.691 54.840 0.055 0.000 0.752 397 L CB -0.356 41.784 42.059 0.134 0.000 0.899 397 L HN 0.002 nan 8.230 nan 0.000 0.433 398 S N 0.010 115.643 115.700 -0.111 0.000 2.370 398 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 398 S C 1.936 176.399 174.600 -0.229 0.000 1.033 398 S CA 1.278 59.384 58.200 -0.157 0.000 1.011 398 S CB -0.110 63.006 63.200 -0.139 0.000 0.852 398 S HN 0.305 nan 8.310 nan 0.000 0.457 399 L N 0.521 121.548 121.223 -0.328 0.000 2.095 399 L HA 0.026 4.366 4.340 -0.000 0.000 0.204 399 L C 2.321 178.731 176.870 -0.767 0.000 1.080 399 L CA 0.927 55.444 54.840 -0.537 0.000 0.759 399 L CB -0.487 41.150 42.059 -0.703 0.000 0.914 399 L HN 0.337 nan 8.230 nan 0.000 0.439 400 I N -0.813 119.328 120.570 -0.715 0.000 2.179 400 I HA -0.294 3.876 4.170 -0.000 0.000 0.242 400 I C 2.216 177.816 176.117 -0.860 0.000 1.088 400 I CA 1.272 62.143 61.300 -0.715 0.000 1.357 400 I CB -0.331 37.420 38.000 -0.414 0.000 1.051 400 I HN 0.328 nan 8.210 nan 0.000 0.409 401 H N 0.632 119.443 119.070 -0.430 0.000 2.551 401 H HA 0.170 4.726 4.556 -0.000 0.000 0.271 401 H C 0.152 175.291 175.328 -0.315 0.000 0.984 401 H CA 0.097 55.935 56.048 -0.350 0.000 1.164 401 H CB 0.359 30.124 29.762 0.005 0.000 1.437 401 H HN 0.367 nan 8.280 nan 0.000 0.550 402 Q N 0.653 120.301 119.800 -0.253 0.000 2.453 402 Q HA -0.171 4.169 4.340 -0.000 0.000 0.330 402 Q C -0.911 175.017 176.000 -0.119 0.000 1.417 402 Q CA 0.322 56.010 55.803 -0.191 0.000 0.902 402 Q CB -1.283 27.341 28.738 -0.190 0.000 1.154 402 Q HN 0.416 nan 8.270 nan 0.000 0.395 403 L N 0.163 121.305 121.223 -0.135 0.000 2.362 403 L HA 0.591 4.931 4.340 -0.000 0.000 0.271 403 L C -2.175 174.599 176.870 -0.159 0.000 1.002 403 L CA -2.267 52.484 54.840 -0.148 0.000 0.818 403 L CB 1.863 43.778 42.059 -0.239 0.000 1.298 403 L HN -0.053 nan 8.230 nan 0.000 0.420 404 P HA 0.110 nan 4.420 nan 0.000 0.271 404 P C 0.153 177.352 177.300 -0.169 0.000 1.218 404 P CA -0.272 62.745 63.100 -0.139 0.000 0.780 404 P CB 0.711 32.336 31.700 -0.126 0.000 0.901 405 R N 2.797 123.215 120.500 -0.137 0.000 2.103 405 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 405 R C 1.734 177.944 176.300 -0.149 0.000 1.142 405 R CA 1.528 57.551 56.100 -0.129 0.000 0.960 405 R CB -0.308 29.937 30.300 -0.091 0.000 0.858 405 R HN 0.474 nan 8.270 nan 0.000 0.439 406 E N 0.634 120.746 120.200 -0.146 0.000 2.160 406 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 406 E C 1.629 178.077 176.600 -0.254 0.000 0.991 406 E CA 1.434 57.740 56.400 -0.157 0.000 0.810 406 E CB 0.035 29.659 29.700 -0.126 0.000 0.742 406 E HN 0.503 nan 8.360 nan 0.000 0.466 407 E N -0.123 119.875 120.200 -0.337 0.000 2.107 407 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 407 E C 2.268 178.373 176.600 -0.826 0.000 0.982 407 E CA 0.457 56.481 56.400 -0.627 0.000 0.809 407 E CB 0.036 29.423 29.700 -0.521 0.000 0.756 407 E HN 0.239 nan 8.360 nan 0.000 0.459 408 I N 0.859 121.160 120.570 -0.448 0.000 2.252 408 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 408 I C 2.335 178.382 176.117 -0.116 0.000 1.102 408 I CA 1.107 62.250 61.300 -0.263 0.000 1.385 408 I CB -0.207 37.678 38.000 -0.192 0.000 1.064 408 I HN 0.170 nan 8.210 nan 0.000 0.414 409 Q N -0.130 119.592 119.800 -0.130 0.000 2.291 409 Q HA -0.142 4.198 4.340 -0.000 0.000 0.205 409 Q C 2.017 178.000 176.000 -0.028 0.000 0.970 409 Q CA 1.560 57.340 55.803 -0.039 0.000 0.876 409 Q CB -0.053 28.658 28.738 -0.045 0.000 0.935 409 Q HN 0.479 nan 8.270 nan 0.000 0.455 410 T N -0.163 114.296 114.554 -0.159 0.000 2.978 410 T HA -0.010 4.340 4.350 -0.000 0.000 0.262 410 T C 0.937 175.704 174.700 0.112 0.000 1.063 410 T CA 0.637 62.675 62.100 -0.102 0.000 1.140 410 T CB 0.016 68.726 68.868 -0.265 0.000 0.886 410 T HN 0.166 nan 8.240 nan 0.000 0.470 411 F N 1.122 121.112 119.950 0.066 0.000 2.569 411 F HA 0.300 4.827 4.527 -0.000 0.000 0.295 411 F C 1.188 177.085 175.800 0.161 0.000 1.115 411 F CA -1.374 56.693 58.000 0.111 0.000 1.450 411 F CB -0.611 38.481 39.000 0.153 0.000 1.107 411 F HN 0.179 nan 8.300 nan 0.000 0.563 412 c N -1.815 116.987 118.600 0.337 0.000 3.285 412 c HA 0.719 5.289 4.570 -0.000 0.000 0.320 412 c C -1.000 173.260 174.090 0.283 0.000 1.411 412 c CA -1.291 55.206 56.329 0.280 0.000 1.429 412 c CB 1.497 44.163 42.510 0.261 0.000 1.812 412 c HN 0.349 nan 8.230 nan 0.000 0.454 413 Y N -1.944 118.418 120.300 0.102 0.000 2.552 413 Y HA 0.690 5.240 4.550 -0.000 0.000 0.337 413 Y C -3.407 172.566 175.900 0.122 0.000 1.094 413 Y CA -2.763 55.397 58.100 0.101 0.000 1.028 413 Y CB 0.492 39.015 38.460 0.105 0.000 1.321 413 Y HN 0.401 nan 8.280 nan 0.000 0.456 414 P HA 0.170 nan 4.420 nan 0.000 0.275 414 P C 0.210 177.678 177.300 0.279 0.000 1.276 414 P CA 0.263 63.469 63.100 0.177 0.000 0.782 414 P CB 1.263 33.065 31.700 0.169 0.000 0.851 415 S N 2.922 118.630 115.700 0.013 0.000 2.499 415 S HA 0.359 4.829 4.470 -0.000 0.000 0.225 415 S C 0.514 175.127 174.600 0.021 0.000 1.050 415 S CA 0.170 58.375 58.200 0.008 0.000 0.928 415 S CB -0.047 63.016 63.200 -0.228 0.000 0.803 415 S HN 0.395 nan 8.310 nan 0.000 0.506 416 M N 0.113 119.775 119.600 0.103 0.000 2.682 416 M HA 0.669 5.149 4.480 -0.000 0.000 0.272 416 M C -2.416 174.074 176.300 0.315 0.000 1.232 416 M CA -0.693 54.566 55.300 -0.070 0.000 0.849 416 M CB 2.188 34.586 32.600 -0.336 0.000 1.695 416 M HN 0.300 nan 8.290 nan 0.000 0.481 417 I N 1.840 122.494 120.570 0.140 0.000 2.775 417 I HA 0.612 4.782 4.170 -0.000 0.000 0.295 417 I C -2.158 173.996 176.117 0.063 0.000 1.287 417 I CA -0.241 61.197 61.300 0.230 0.000 1.029 417 I CB 2.122 40.304 38.000 0.304 0.000 1.282 417 I HN 0.839 nan 8.210 nan 0.000 0.426 418 Q N 6.256 126.085 119.800 0.048 0.000 2.294 418 Q HA 0.428 4.768 4.340 -0.000 0.000 0.264 418 Q C -1.916 173.950 176.000 -0.223 0.000 0.992 418 Q CA -0.511 55.182 55.803 -0.183 0.000 0.747 418 Q CB 1.546 30.148 28.738 -0.227 0.000 1.262 418 Q HN 0.486 nan 8.270 nan 0.000 0.452 419 K N 3.664 123.927 120.400 -0.228 0.000 2.354 419 K HA 0.186 4.506 4.320 -0.000 0.000 0.257 419 K C -0.195 176.325 176.600 -0.134 0.000 1.062 419 K CA -0.269 55.968 56.287 -0.083 0.000 0.971 419 K CB 0.573 33.072 32.500 -0.001 0.000 1.305 419 K HN 0.688 nan 8.250 nan 0.000 0.449 420 W N 1.019 122.367 121.300 0.081 0.000 2.392 420 W HA -0.164 4.496 4.660 -0.000 0.000 0.279 420 W C 1.844 178.384 176.519 0.034 0.000 1.225 420 W CA 0.740 58.121 57.345 0.060 0.000 1.233 420 W CB 0.132 29.635 29.460 0.071 0.000 1.122 420 W HN 0.478 nan 8.180 nan 0.000 0.561 421 S N 0.225 116.058 115.700 0.220 0.000 2.447 421 S HA -0.056 4.414 4.470 -0.000 0.000 0.233 421 S C 1.476 176.113 174.600 0.061 0.000 1.006 421 S CA 0.725 59.001 58.200 0.126 0.000 0.957 421 S CB -0.248 63.017 63.200 0.110 0.000 0.773 421 S HN 0.219 nan 8.310 nan 0.000 0.507 422 L N 0.860 122.105 121.223 0.037 0.000 2.667 422 L HA 0.251 4.591 4.340 -0.000 0.000 0.232 422 L C 0.197 177.044 176.870 -0.037 0.000 1.138 422 L CA -0.136 54.697 54.840 -0.012 0.000 0.921 422 L CB -0.207 41.837 42.059 -0.025 0.000 1.180 422 L HN 0.112 nan 8.230 nan 0.000 0.487 423 D N 1.454 121.858 120.400 0.007 0.000 2.358 423 D HA -0.034 4.606 4.640 -0.000 0.000 0.258 423 D C 1.498 177.778 176.300 -0.034 0.000 1.223 423 D CA -0.026 53.984 54.000 0.016 0.000 0.886 423 D CB 0.947 41.877 40.800 0.217 0.000 1.120 423 D HN 0.181 nan 8.370 nan 0.000 0.482 424 K N 2.487 122.781 120.400 -0.177 0.000 2.360 424 K HA -0.212 4.108 4.320 -0.000 0.000 0.201 424 K C 0.490 176.864 176.600 -0.376 0.000 1.046 424 K CA 1.238 57.332 56.287 -0.323 0.000 0.945 424 K CB -0.121 32.095 32.500 -0.473 0.000 0.750 424 K HN 0.493 nan 8.250 nan 0.000 0.464 425 Y N 0.586 120.907 120.300 0.035 0.000 2.396 425 Y HA 0.284 4.834 4.550 -0.000 0.000 0.292 425 Y C 2.720 178.634 175.900 0.023 0.000 1.128 425 Y CA 0.406 58.526 58.100 0.033 0.000 1.194 425 Y CB -0.283 38.205 38.460 0.046 0.000 1.124 425 Y HN 0.122 nan 8.280 nan 0.000 0.543 426 A N 0.059 122.998 122.820 0.197 0.000 1.897 426 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 426 A C 1.497 179.046 177.584 -0.059 0.000 1.181 426 A CA 1.635 53.728 52.037 0.093 0.000 0.620 426 A CB -0.639 18.464 19.000 0.170 0.000 0.821 426 A HN 0.494 nan 8.150 nan 0.000 0.443 427 M N -2.851 116.724 119.600 -0.040 0.000 2.856 427 M HA -0.196 4.284 4.480 -0.000 0.000 0.189 427 M C 0.381 176.548 176.300 -0.221 0.000 0.612 427 M CA 0.702 55.931 55.300 -0.119 0.000 0.673 427 M CB -2.172 30.342 32.600 -0.144 0.000 2.440 427 M HN 0.923 nan 8.290 nan 0.000 0.437 428 G N -1.739 106.955 108.800 -0.177 0.000 2.387 428 G HA2 0.534 4.494 3.960 -0.000 0.000 0.294 428 G HA3 0.534 4.494 3.960 -0.000 0.000 0.294 428 G C -0.019 174.916 174.900 0.058 0.000 1.509 428 G CA -0.302 44.681 45.100 -0.196 0.000 0.806 428 G HN 0.282 nan 8.290 nan 0.000 0.546 429 G N -0.823 108.091 108.800 0.190 0.000 2.670 429 G HA2 0.433 4.393 3.960 -0.000 0.000 0.219 429 G HA3 0.433 4.393 3.960 -0.000 0.000 0.219 429 G C 0.336 175.309 174.900 0.121 0.000 1.342 429 G CA 0.239 45.448 45.100 0.183 0.000 0.902 429 G HN 0.722 nan 8.290 nan 0.000 0.553 430 I N 1.200 121.833 120.570 0.107 0.000 2.436 430 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 430 I C -0.426 175.565 176.117 -0.210 0.000 1.010 430 I CA -0.616 60.661 61.300 -0.039 0.000 1.098 430 I CB 2.265 40.212 38.000 -0.088 0.000 1.266 430 I HN -0.027 nan 8.210 nan 0.000 0.434 431 T N 4.252 118.522 114.554 -0.474 0.000 2.871 431 T HA 0.104 4.454 4.350 -0.000 0.000 0.296 431 T C 0.073 174.382 174.700 -0.652 0.000 0.998 431 T CA 0.395 61.908 62.100 -0.978 0.000 1.162 431 T CB -0.061 68.207 68.868 -1.000 0.000 0.947 431 T HN 0.592 nan 8.240 nan 0.000 0.536 432 T N 4.646 118.924 114.554 -0.459 0.000 3.066 432 T HA 0.337 4.687 4.350 -0.000 0.000 0.318 432 T C -0.465 174.343 174.700 0.181 0.000 0.979 432 T CA -0.639 61.401 62.100 -0.101 0.000 1.025 432 T CB 0.187 69.082 68.868 0.045 0.000 1.002 432 T HN 0.286 nan 8.240 nan 0.000 0.453 433 F N 3.776 123.819 119.950 0.154 0.000 2.538 433 F HA 0.297 4.824 4.527 -0.000 0.000 0.371 433 F C 1.759 177.675 175.800 0.193 0.000 1.087 433 F CA -0.835 57.295 58.000 0.217 0.000 1.250 433 F CB 0.205 39.377 39.000 0.288 0.000 1.110 433 F HN 0.493 nan 8.300 nan 0.000 0.570 434 T N 1.602 116.396 114.554 0.400 0.000 2.897 434 T HA 0.484 4.834 4.350 -0.000 0.000 0.278 434 T C -2.735 172.102 174.700 0.227 0.000 0.981 434 T CA -2.500 59.758 62.100 0.262 0.000 0.973 434 T CB 1.220 70.207 68.868 0.199 0.000 1.092 434 T HN 0.141 nan 8.240 nan 0.000 0.543 435 P HA 0.087 nan 4.420 nan 0.000 0.264 435 P C -0.367 177.016 177.300 0.137 0.000 1.183 435 P CA 0.474 63.647 63.100 0.121 0.000 0.763 435 P CB -0.234 31.552 31.700 0.144 0.000 0.807 436 Y N -0.309 119.933 120.300 -0.097 0.000 4.894 436 Y HA -0.313 4.237 4.550 -0.000 0.000 0.270 436 Y C 1.815 177.442 175.900 -0.454 0.000 0.930 436 Y CA 1.387 59.277 58.100 -0.350 0.000 1.814 436 Y CB -2.241 35.935 38.460 -0.472 0.000 1.235 436 Y HN 0.465 nan 8.280 nan 0.000 0.480 437 Q N -0.481 119.217 119.800 -0.171 0.000 2.297 437 Q HA -0.106 4.234 4.340 -0.000 0.000 0.204 437 Q C 1.983 177.555 176.000 -0.714 0.000 0.962 437 Q CA 1.540 57.134 55.803 -0.349 0.000 0.879 437 Q CB -0.258 28.406 28.738 -0.124 0.000 0.947 437 Q HN 0.712 nan 8.270 nan 0.000 0.462 438 F N 2.371 121.915 119.950 -0.677 0.000 2.098 438 F HA -0.226 4.301 4.527 -0.000 0.000 0.294 438 F C 2.516 178.174 175.800 -0.237 0.000 1.107 438 F CA 1.754 59.473 58.000 -0.467 0.000 1.234 438 F CB 0.007 38.980 39.000 -0.044 0.000 1.002 438 F HN 0.009 nan 8.300 nan 0.000 0.472 439 Q N -1.244 118.318 119.800 -0.397 0.000 2.230 439 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 439 Q C 1.546 177.408 176.000 -0.230 0.000 0.963 439 Q CA 1.882 57.449 55.803 -0.394 0.000 0.866 439 Q CB -0.879 27.761 28.738 -0.163 0.000 0.931 439 Q HN 0.632 nan 8.270 nan 0.000 0.452 440 H N -1.673 117.121 119.070 -0.460 0.000 2.520 440 H HA 0.096 4.652 4.556 -0.000 0.000 0.279 440 H C 0.516 175.460 175.328 -0.640 0.000 0.990 440 H CA 0.420 56.094 56.048 -0.624 0.000 1.288 440 H CB 0.525 29.734 29.762 -0.920 0.000 1.446 440 H HN 0.238 nan 8.280 nan 0.000 0.538 441 F N -1.322 118.536 119.950 -0.154 0.000 2.789 441 F HA 0.159 4.686 4.527 -0.000 0.000 0.320 441 F C 2.242 177.977 175.800 -0.109 0.000 1.079 441 F CA -0.074 57.835 58.000 -0.151 0.000 1.205 441 F CB -0.161 38.745 39.000 -0.157 0.000 1.046 441 F HN -0.062 nan 8.300 nan 0.000 0.586 442 S N 0.809 116.486 115.700 -0.039 0.000 2.392 442 S HA -0.248 4.222 4.470 -0.000 0.000 0.225 442 S C 2.048 176.685 174.600 0.060 0.000 1.041 442 S CA 2.288 60.519 58.200 0.051 0.000 1.100 442 S CB -0.294 62.774 63.200 -0.221 0.000 1.029 442 S HN 0.468 nan 8.310 nan 0.000 0.424 443 E N 0.269 120.451 120.200 -0.031 0.000 2.058 443 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 443 E C 2.350 178.963 176.600 0.022 0.000 0.997 443 E CA 1.287 57.688 56.400 0.002 0.000 0.801 443 E CB -0.458 29.226 29.700 -0.026 0.000 0.746 443 E HN 0.502 nan 8.360 nan 0.000 0.450 444 S N 0.532 116.246 115.700 0.023 0.000 2.402 444 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 444 S C 1.955 176.543 174.600 -0.020 0.000 1.030 444 S CA 0.842 59.050 58.200 0.014 0.000 1.003 444 S CB -0.106 63.134 63.200 0.067 0.000 0.813 444 S HN 0.164 nan 8.310 nan 0.000 0.477 445 L N 0.643 121.892 121.223 0.042 0.000 2.131 445 L HA -0.021 4.319 4.340 -0.000 0.000 0.206 445 L C 2.773 179.642 176.870 -0.003 0.000 1.087 445 L CA 1.576 56.436 54.840 0.034 0.000 0.767 445 L CB -0.650 41.520 42.059 0.185 0.000 0.917 445 L HN 0.483 nan 8.230 nan 0.000 0.441 446 T N -2.848 111.737 114.554 0.051 0.000 3.067 446 T HA 0.246 4.596 4.350 -0.000 0.000 0.257 446 T C 0.954 175.715 174.700 0.102 0.000 1.105 446 T CA 0.211 62.364 62.100 0.087 0.000 1.104 446 T CB -0.146 68.784 68.868 0.103 0.000 0.925 446 T HN 0.164 nan 8.240 nan 0.000 0.498 447 A N 2.412 125.255 122.820 0.040 0.000 2.531 447 A HA 0.520 4.840 4.320 -0.000 0.000 0.236 447 A C 0.844 178.474 177.584 0.076 0.000 1.062 447 A CA -0.165 51.895 52.037 0.039 0.000 0.760 447 A CB -0.047 18.950 19.000 -0.006 0.000 0.995 447 A HN 0.733 nan 8.150 nan 0.000 0.501 448 S N 1.090 116.832 115.700 0.070 0.000 2.713 448 S HA 0.721 5.191 4.470 -0.000 0.000 0.283 448 S C 0.212 174.816 174.600 0.006 0.000 1.161 448 S CA -0.027 58.195 58.200 0.037 0.000 0.999 448 S CB 1.109 64.042 63.200 -0.445 0.000 1.039 448 S HN 1.851 nan 8.310 nan 0.000 0.548 449 V N -1.724 118.213 119.914 0.038 0.000 3.204 449 V HA 0.574 4.694 4.120 -0.000 0.000 0.316 449 V C -0.274 175.797 176.094 -0.037 0.000 1.160 449 V CA -1.142 61.175 62.300 0.028 0.000 1.044 449 V CB 0.786 32.669 31.823 0.100 0.000 1.136 449 V HN 0.866 nan 8.190 nan 0.000 0.455 450 D N 0.729 121.136 120.400 0.012 0.000 2.402 450 D HA 0.150 4.790 4.640 -0.000 0.000 0.268 450 D C 1.048 177.377 176.300 0.049 0.000 1.294 450 D CA 1.056 55.074 54.000 0.029 0.000 0.945 450 D CB -0.402 40.423 40.800 0.043 0.000 1.112 450 D HN 0.718 nan 8.370 nan 0.000 0.517 451 R N 1.509 122.068 120.500 0.099 0.000 3.954 451 R HA -0.178 4.162 4.340 -0.000 0.000 0.422 451 R C -0.268 176.164 176.300 0.220 0.000 1.091 451 R CA 0.739 56.986 56.100 0.245 0.000 1.168 451 R CB -1.839 28.497 30.300 0.061 0.000 1.752 451 R HN 0.514 nan 8.270 nan 0.000 0.547 452 I N 0.768 121.333 120.570 -0.009 0.000 2.468 452 I HA 0.348 4.518 4.170 -0.000 0.000 0.285 452 I C -0.305 175.578 176.117 -0.390 0.000 1.039 452 I CA -0.859 60.393 61.300 -0.081 0.000 1.074 452 I CB 1.205 39.197 38.000 -0.013 0.000 1.228 452 I HN -0.154 nan 8.210 nan 0.000 0.436 453 Y N 5.243 125.379 120.300 -0.275 0.000 2.534 453 Y HA 0.645 5.195 4.550 -0.000 0.000 0.329 453 Y C -0.500 175.081 175.900 -0.533 0.000 1.154 453 Y CA -0.806 57.170 58.100 -0.207 0.000 1.192 453 Y CB 1.402 39.822 38.460 -0.067 0.000 1.275 453 Y HN 0.252 nan 8.280 nan 0.000 0.491 454 F N 0.418 120.476 119.950 0.180 0.000 2.556 454 F HA 0.792 5.319 4.527 -0.000 0.000 0.314 454 F C -0.019 175.821 175.800 0.067 0.000 1.106 454 F CA -0.876 57.195 58.000 0.118 0.000 0.911 454 F CB 1.725 40.775 39.000 0.083 0.000 1.190 454 F HN 0.535 nan 8.300 nan 0.000 0.448 455 A N 1.344 124.272 122.820 0.181 0.000 2.530 455 A HA 1.017 5.337 4.320 -0.000 0.000 0.288 455 A C -0.258 177.329 177.584 0.004 0.000 1.172 455 A CA -0.448 51.628 52.037 0.064 0.000 0.733 455 A CB 1.644 20.673 19.000 0.048 0.000 1.320 455 A HN 1.743 nan 8.150 nan 0.000 0.419 456 G N -0.986 107.790 108.800 -0.039 0.000 2.406 456 G HA2 0.199 4.159 3.960 -0.000 0.000 0.680 456 G HA3 0.199 4.159 3.960 -0.000 0.000 0.680 456 G C 0.295 175.159 174.900 -0.061 0.000 1.338 456 G CA 0.360 45.452 45.100 -0.014 0.000 0.941 456 G HN 1.109 nan 8.290 nan 0.000 0.633 457 E N -0.533 119.711 120.200 0.073 0.000 2.108 457 E HA -0.346 4.004 4.350 -0.000 0.000 0.203 457 E C 1.961 178.622 176.600 0.101 0.000 1.022 457 E CA 2.626 59.080 56.400 0.090 0.000 0.823 457 E CB -0.222 29.533 29.700 0.091 0.000 0.744 457 E HN 0.844 nan 8.360 nan 0.000 0.456 458 H N -1.653 117.435 119.070 0.030 0.000 2.561 458 H HA 0.038 4.594 4.556 -0.000 0.000 0.278 458 H C 1.723 177.142 175.328 0.152 0.000 1.014 458 H CA 1.343 57.382 56.048 -0.015 0.000 1.211 458 H CB -0.182 29.587 29.762 0.011 0.000 1.365 458 H HN 0.168 nan 8.280 nan 0.000 0.594 459 T N -2.855 111.578 114.554 -0.202 0.000 3.054 459 T HA 0.505 4.855 4.350 -0.000 0.000 0.255 459 T C 0.988 175.714 174.700 0.043 0.000 1.035 459 T CA -0.133 61.933 62.100 -0.056 0.000 0.941 459 T CB 0.028 68.821 68.868 -0.125 0.000 1.026 459 T HN 0.492 nan 8.240 nan 0.000 0.533 460 A N 1.273 124.127 122.820 0.056 0.000 2.272 460 A HA 0.541 4.861 4.320 -0.000 0.000 0.275 460 A C 1.100 178.695 177.584 0.017 0.000 1.096 460 A CA -0.517 51.542 52.037 0.037 0.000 0.822 460 A CB 0.589 19.608 19.000 0.033 0.000 1.088 460 A HN 0.412 nan 8.150 nan 0.000 0.495 461 E N -0.104 120.086 120.200 -0.016 0.000 2.112 461 E HA 0.125 4.475 4.350 -0.000 0.000 0.190 461 E C 0.552 177.037 176.600 -0.192 0.000 0.979 461 E CA 0.980 57.356 56.400 -0.040 0.000 0.814 461 E CB 0.090 29.799 29.700 0.015 0.000 0.762 461 E HN 0.666 nan 8.360 nan 0.000 0.460 462 A N 1.143 123.877 122.820 -0.143 0.000 2.304 462 A HA 0.392 4.712 4.320 -0.000 0.000 0.314 462 A C -1.340 176.240 177.584 -0.007 0.000 1.187 462 A CA -0.505 51.465 52.037 -0.111 0.000 0.810 462 A CB 0.182 19.182 19.000 0.001 0.000 1.183 462 A HN 0.154 nan 8.150 nan 0.000 0.487 463 H N 0.729 119.818 119.070 0.031 0.000 2.548 463 H HA 0.461 5.017 4.556 -0.000 0.000 0.331 463 H C 1.209 176.499 175.328 -0.063 0.000 1.093 463 H CA 0.568 56.580 56.048 -0.060 0.000 1.367 463 H CB 1.152 30.794 29.762 -0.200 0.000 1.455 463 H HN 1.249 nan 8.280 nan 0.000 0.519 464 G N 2.198 110.961 108.800 -0.062 0.000 2.130 464 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 464 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 464 G C -0.872 173.540 174.900 -0.814 0.000 0.999 464 G CA -0.420 44.433 45.100 -0.411 0.000 0.686 464 G HN 0.628 nan 8.290 nan 0.000 0.515 465 W N -0.978 120.331 121.300 0.016 0.000 3.042 465 W HA 0.655 5.315 4.660 -0.000 0.000 0.337 465 W C 1.225 177.722 176.519 -0.037 0.000 1.086 465 W CA -1.163 56.190 57.345 0.013 0.000 1.236 465 W CB 0.691 30.167 29.460 0.026 0.000 1.381 465 W HN -0.050 nan 8.180 nan 0.000 0.472 466 I N 0.933 121.617 120.570 0.190 0.000 2.151 466 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 466 I C 2.058 178.221 176.117 0.076 0.000 1.080 466 I CA 1.935 63.293 61.300 0.095 0.000 1.339 466 I CB -0.255 37.800 38.000 0.093 0.000 1.039 466 I HN 0.571 nan 8.210 nan 0.000 0.409 467 D N 0.390 120.831 120.400 0.068 0.000 2.127 467 D HA -0.254 4.386 4.640 -0.000 0.000 0.190 467 D C 2.313 178.583 176.300 -0.049 0.000 1.000 467 D CA 2.043 56.015 54.000 -0.046 0.000 0.839 467 D CB -0.042 40.530 40.800 -0.381 0.000 0.955 467 D HN 0.122 nan 8.370 nan 0.000 0.446 468 S N -1.726 113.924 115.700 -0.083 0.000 2.382 468 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 468 S C 1.962 176.553 174.600 -0.016 0.000 1.027 468 S CA 1.832 60.008 58.200 -0.039 0.000 0.991 468 S CB -0.558 62.634 63.200 -0.012 0.000 0.823 468 S HN 0.348 nan 8.310 nan 0.000 0.469 469 T N 2.246 116.807 114.554 0.011 0.000 2.746 469 T HA 0.038 4.388 4.350 -0.000 0.000 0.267 469 T C 1.679 176.365 174.700 -0.023 0.000 1.039 469 T CA 1.408 63.509 62.100 0.001 0.000 1.142 469 T CB -0.320 68.555 68.868 0.010 0.000 0.866 469 T HN 0.393 nan 8.240 nan 0.000 0.444 470 I N 0.655 121.214 120.570 -0.019 0.000 2.226 470 I HA -0.156 4.014 4.170 -0.000 0.000 0.245 470 I C 2.752 178.839 176.117 -0.050 0.000 1.100 470 I CA 1.111 62.394 61.300 -0.028 0.000 1.374 470 I CB -0.273 37.731 38.000 0.006 0.000 1.057 470 I HN 0.101 nan 8.210 nan 0.000 0.413 471 K N 0.926 121.273 120.400 -0.088 0.000 2.097 471 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 471 K C 2.296 178.698 176.600 -0.331 0.000 1.049 471 K CA 1.907 58.041 56.287 -0.254 0.000 0.933 471 K CB -0.105 32.250 32.500 -0.242 0.000 0.717 471 K HN 0.422 nan 8.250 nan 0.000 0.442 472 S N -0.851 114.745 115.700 -0.173 0.000 2.423 472 S HA -0.063 4.407 4.470 -0.000 0.000 0.231 472 S C 2.118 176.672 174.600 -0.077 0.000 1.014 472 S CA 1.100 59.227 58.200 -0.122 0.000 0.965 472 S CB -0.371 62.794 63.200 -0.059 0.000 0.785 472 S HN 0.350 nan 8.310 nan 0.000 0.495 473 G N 1.845 110.609 108.800 -0.060 0.000 2.394 473 G HA2 0.080 4.040 3.960 -0.000 0.000 0.215 473 G HA3 0.080 4.040 3.960 -0.000 0.000 0.215 473 G C 1.449 176.351 174.900 0.003 0.000 1.165 473 G CA 0.632 45.721 45.100 -0.017 0.000 0.784 473 G HN 0.496 nan 8.290 nan 0.000 0.535 474 L N -0.083 121.137 121.223 -0.005 0.000 2.093 474 L HA 0.006 4.346 4.340 -0.000 0.000 0.208 474 L C 2.899 179.871 176.870 0.170 0.000 1.085 474 L CA 1.032 55.938 54.840 0.110 0.000 0.755 474 L CB -0.389 41.786 42.059 0.195 0.000 0.904 474 L HN 0.195 nan 8.230 nan 0.000 0.435 475 R N 0.716 121.199 120.500 -0.029 0.000 2.073 475 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 475 R C 2.321 178.691 176.300 0.117 0.000 1.134 475 R CA 1.609 57.772 56.100 0.105 0.000 0.952 475 R CB -0.231 30.003 30.300 -0.110 0.000 0.850 475 R HN 0.313 nan 8.270 nan 0.000 0.433 476 A N 0.676 123.526 122.820 0.050 0.000 1.930 476 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 476 A C 2.334 179.856 177.584 -0.104 0.000 1.175 476 A CA 1.550 53.601 52.037 0.022 0.000 0.627 476 A CB -0.632 18.401 19.000 0.055 0.000 0.815 476 A HN 0.556 nan 8.150 nan 0.000 0.443 477 A N -0.372 122.422 122.820 -0.045 0.000 1.930 477 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 477 A C 2.225 179.758 177.584 -0.086 0.000 1.175 477 A CA 1.632 53.623 52.037 -0.077 0.000 0.627 477 A CB -0.446 18.561 19.000 0.011 0.000 0.815 477 A HN 0.551 nan 8.150 nan 0.000 0.443 478 R N -0.285 120.219 120.500 0.008 0.000 2.075 478 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 478 R C 1.283 177.535 176.300 -0.079 0.000 1.126 478 R CA 1.667 57.771 56.100 0.007 0.000 0.963 478 R CB -0.260 30.101 30.300 0.100 0.000 0.858 478 R HN 0.438 nan 8.270 nan 0.000 0.435 479 D N -0.133 120.199 120.400 -0.114 0.000 2.144 479 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 479 D C 1.908 177.940 176.300 -0.448 0.000 0.984 479 D CA 1.086 54.977 54.000 -0.182 0.000 0.834 479 D CB -0.101 40.647 40.800 -0.087 0.000 0.955 479 D HN 0.109 nan 8.370 nan 0.000 0.465 480 V N 1.210 120.717 119.914 -0.678 0.000 2.358 480 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 480 V C 2.222 177.977 176.094 -0.564 0.000 1.047 480 V CA 1.494 63.263 62.300 -0.886 0.000 1.035 480 V CB -0.546 30.774 31.823 -0.839 0.000 0.658 480 V HN 0.113 nan 8.190 nan 0.000 0.452 481 N N 0.295 118.808 118.700 -0.312 0.000 2.104 481 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 481 N C 1.976 177.451 175.510 -0.059 0.000 1.024 481 N CA 1.619 54.627 53.050 -0.071 0.000 0.853 481 N CB -0.177 38.330 38.487 0.033 0.000 1.008 481 N HN 0.371 nan 8.380 nan 0.000 0.424 482 R N -0.293 120.150 120.500 -0.095 0.000 2.081 482 R HA 0.014 4.354 4.340 -0.000 0.000 0.235 482 R C 2.142 178.413 176.300 -0.048 0.000 1.131 482 R CA 1.279 57.348 56.100 -0.051 0.000 0.960 482 R CB -0.416 29.861 30.300 -0.038 0.000 0.856 482 R HN 0.238 nan 8.270 nan 0.000 0.436 483 A N 0.991 123.739 122.820 -0.120 0.000 2.019 483 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 483 A C 2.158 179.749 177.584 0.012 0.000 1.164 483 A CA 1.865 53.865 52.037 -0.062 0.000 0.644 483 A CB -0.440 18.464 19.000 -0.160 0.000 0.805 483 A HN 0.452 nan 8.150 nan 0.000 0.449 484 S N -0.696 114.983 115.700 -0.034 0.000 2.461 484 S HA -0.040 4.430 4.470 -0.000 0.000 0.228 484 S C 1.308 175.972 174.600 0.106 0.000 1.005 484 S CA 0.941 59.208 58.200 0.112 0.000 0.942 484 S CB -0.149 63.154 63.200 0.171 0.000 0.776 484 S HN 0.500 nan 8.310 nan 0.000 0.514 485 E N 1.726 121.964 120.200 0.063 0.000 2.435 485 E HA 0.051 4.401 4.350 -0.000 0.000 0.195 485 E C 1.035 177.664 176.600 0.048 0.000 1.029 485 E CA 0.279 56.709 56.400 0.050 0.000 0.865 485 E CB -0.089 29.628 29.700 0.028 0.000 0.833 485 E HN 0.944 nan 8.360 nan 0.000 0.510 486 Q N 0.000 119.835 119.800 0.058 0.000 2.315 486 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 486 Q CA 0.000 55.838 55.803 0.058 0.000 1.022 486 Q CB 0.000 28.774 28.738 0.060 0.000 1.108 486 Q HN 0.000 nan 8.270 nan 0.000 0.481