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 1f8s_1_D DATA FIRST_RESID 5 DATA SEQUENCE NPLAEcFQEN DYEEFLEIAR NGLKATSNPK HVVIVGAGMA GLSAAYVLAG DATA SEQUENCE AGHQVTVLEA SERPGGRVRT YRNEEAGWYA NLGPMRLPEK HRIVREYIRK DATA SEQUENCE FDLRLNEFSQ ENDNAWYFIK NIRKKVGEVK KDPGLLKYPV KPSEAGKSAG DATA SEQUENCE QLYEESLGKV VEELKRTNcS YILNKYDTYS TKEYLIKEGD LSPGAVDMIG DATA SEQUENCE DLLNEDSGYY VSFIESLKHD DIFAYEKRFD EIVDGMDKLP TAMYRDIQDK DATA SEQUENCE VHFNAQVIKI QQNDQKVTVV YETLSKETPS VTADYVIVCT TSRAVRLIKF DATA SEQUENCE NPPLLPKKAH ALRSVHYRSG TKIFLTcTTK FWEDDGIHGG KSTTDLPSRF DATA SEQUENCE IYYPNHNFTN GVGVIIAYGI GDDANFFQAL DFKDCADIVF NDLSLIHQLP DATA SEQUENCE KKDIQSFcYP SVIQKWSLDK YAMGGITTFT PYQFQHFSDP LTASQGRIYF DATA SEQUENCE AGEYTAQAHG WIDSTIKSGL RAARDVNLAS EN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.301 175.510 -0.348 0.000 1.280 5 N CA 0.000 52.462 53.050 -0.981 0.000 0.885 5 N CB 0.000 37.801 38.487 -1.143 0.000 1.341 6 P HA 0.006 nan 4.420 nan 0.000 0.225 6 P C 0.741 177.980 177.300 -0.102 0.000 1.148 6 P CA 0.805 63.851 63.100 -0.089 0.000 0.779 6 P CB 0.605 32.291 31.700 -0.023 0.000 0.780 7 L N -1.610 119.547 121.223 -0.111 0.000 2.728 7 L HA 0.295 4.635 4.340 0.000 0.000 0.238 7 L C 2.428 179.201 176.870 -0.161 0.000 1.143 7 L CA 0.085 54.852 54.840 -0.121 0.000 0.937 7 L CB -0.527 41.530 42.059 -0.003 0.000 1.225 7 L HN -0.156 nan 8.230 nan 0.000 0.507 8 A N 1.244 123.981 122.820 -0.137 0.000 1.909 8 A HA -0.339 3.981 4.320 0.000 0.000 0.221 8 A C 2.223 179.717 177.584 -0.150 0.000 1.223 8 A CA 2.537 54.505 52.037 -0.116 0.000 0.658 8 A CB -0.587 18.321 19.000 -0.153 0.000 0.831 8 A HN 0.588 nan 8.150 nan 0.000 0.462 9 E N -0.681 119.416 120.200 -0.172 0.000 2.136 9 E HA -0.273 4.077 4.350 0.000 0.000 0.202 9 E C 1.750 178.200 176.600 -0.250 0.000 1.019 9 E CA 1.889 58.185 56.400 -0.173 0.000 0.819 9 E CB -0.438 29.175 29.700 -0.145 0.000 0.739 9 E HN 0.657 nan 8.360 nan 0.000 0.458 10 c N -0.287 118.054 118.600 -0.432 0.000 2.500 10 c HA 0.072 4.642 4.570 0.000 0.000 0.273 10 c C 1.186 174.809 174.090 -0.779 0.000 1.428 10 c CA -0.123 55.818 56.329 -0.646 0.000 1.766 10 c CB -1.095 40.883 42.510 -0.886 0.000 1.817 10 c HN 0.345 nan 8.230 nan 0.000 0.543 11 F N 0.559 120.415 119.950 -0.157 0.000 2.850 11 F HA 0.244 4.771 4.527 0.000 0.000 0.306 11 F C 0.800 176.493 175.800 -0.178 0.000 1.162 11 F CA -0.323 57.571 58.000 -0.177 0.000 1.327 11 F CB -0.179 38.705 39.000 -0.193 0.000 0.953 11 F HN 0.223 nan 8.300 nan 0.000 0.507 12 Q N 1.111 120.872 119.800 -0.066 0.000 2.235 12 Q HA 0.202 4.542 4.340 0.000 0.000 0.250 12 Q C -0.005 175.950 176.000 -0.076 0.000 0.909 12 Q CA -0.758 54.982 55.803 -0.105 0.000 0.910 12 Q CB 1.518 30.197 28.738 -0.097 0.000 1.223 12 Q HN 0.155 nan 8.270 nan 0.000 0.432 13 E N 1.913 122.044 120.200 -0.115 0.000 2.384 13 E HA -0.015 4.335 4.350 0.000 0.000 0.266 13 E C -0.422 176.251 176.600 0.121 0.000 1.012 13 E CA -0.066 56.343 56.400 0.015 0.000 0.901 13 E CB 0.462 30.223 29.700 0.102 0.000 0.967 13 E HN 0.422 nan 8.360 nan 0.000 0.435 14 N N 2.350 121.127 118.700 0.128 0.000 2.483 14 N HA -0.079 4.661 4.740 0.000 0.000 0.264 14 N C -0.685 174.984 175.510 0.264 0.000 1.197 14 N CA 0.245 53.386 53.050 0.152 0.000 0.927 14 N CB 0.336 38.901 38.487 0.130 0.000 1.065 14 N HN 0.267 nan 8.380 nan 0.000 0.461 15 D N 1.505 122.023 120.400 0.195 0.000 2.751 15 D HA -0.271 4.370 4.640 0.000 0.000 0.233 15 D C 0.258 176.712 176.300 0.255 0.000 1.149 15 D CA 0.475 54.568 54.000 0.155 0.000 0.682 15 D CB -1.436 39.414 40.800 0.084 0.000 1.068 15 D HN 0.580 nan 8.370 nan 0.000 0.429 16 Y N 0.810 121.195 120.300 0.142 0.000 2.114 16 Y HA -0.260 4.290 4.550 0.000 0.000 0.282 16 Y C 2.170 178.127 175.900 0.094 0.000 1.165 16 Y CA 2.191 60.379 58.100 0.147 0.000 1.148 16 Y CB 0.168 38.667 38.460 0.064 0.000 0.972 16 Y HN 0.054 nan 8.280 nan 0.000 0.504 17 E N 0.215 120.463 120.200 0.080 0.000 2.049 17 E HA -0.294 4.056 4.350 0.000 0.000 0.198 17 E C 2.198 178.724 176.600 -0.123 0.000 1.007 17 E CA 1.692 58.073 56.400 -0.033 0.000 0.809 17 E CB -0.370 29.324 29.700 -0.011 0.000 0.749 17 E HN 0.642 nan 8.360 nan 0.000 0.450 18 E N -0.514 119.591 120.200 -0.159 0.000 2.070 18 E HA -0.187 4.163 4.350 0.000 0.000 0.197 18 E C 1.983 178.348 176.600 -0.390 0.000 1.004 18 E CA 1.150 57.364 56.400 -0.311 0.000 0.805 18 E CB -0.148 29.278 29.700 -0.456 0.000 0.744 18 E HN 0.206 nan 8.360 nan 0.000 0.451 19 F N -0.179 119.696 119.950 -0.125 0.000 2.367 19 F HA -0.094 4.433 4.527 0.000 0.000 0.298 19 F C 2.103 177.773 175.800 -0.217 0.000 1.094 19 F CA 0.001 57.914 58.000 -0.144 0.000 1.409 19 F CB 0.002 38.924 39.000 -0.130 0.000 1.064 19 F HN 0.128 nan 8.300 nan 0.000 0.528 20 L N 0.695 121.805 121.223 -0.189 0.000 2.093 20 L HA -0.152 4.188 4.340 0.000 0.000 0.208 20 L C 2.317 179.090 176.870 -0.163 0.000 1.085 20 L CA 1.772 56.465 54.840 -0.246 0.000 0.755 20 L CB -0.790 41.088 42.059 -0.303 0.000 0.904 20 L HN 0.070 nan 8.230 nan 0.000 0.435 21 E N 0.061 120.178 120.200 -0.139 0.000 2.077 21 E HA -0.210 4.140 4.350 0.000 0.000 0.193 21 E C 2.069 178.613 176.600 -0.093 0.000 0.989 21 E CA 1.868 58.199 56.400 -0.115 0.000 0.800 21 E CB -0.450 29.181 29.700 -0.116 0.000 0.746 21 E HN 0.613 nan 8.360 nan 0.000 0.452 22 I N 0.349 120.879 120.570 -0.068 0.000 2.315 22 I HA -0.217 3.953 4.170 0.000 0.000 0.248 22 I C 2.353 178.480 176.117 0.016 0.000 1.117 22 I CA 0.946 62.246 61.300 0.000 0.000 1.404 22 I CB -0.386 37.658 38.000 0.074 0.000 1.071 22 I HN 0.215 nan 8.210 nan 0.000 0.419 23 A N 0.938 123.729 122.820 -0.047 0.000 1.902 23 A HA -0.192 4.128 4.320 0.000 0.000 0.217 23 A C 2.388 179.742 177.584 -0.382 0.000 1.181 23 A CA 1.476 53.359 52.037 -0.256 0.000 0.623 23 A CB -0.460 18.326 19.000 -0.357 0.000 0.818 23 A HN 0.308 nan 8.150 nan 0.000 0.443 24 R N -0.585 119.767 120.500 -0.247 0.000 2.057 24 R HA 0.003 4.343 4.340 0.000 0.000 0.229 24 R C 0.804 177.028 176.300 -0.127 0.000 1.136 24 R CA 1.461 57.437 56.100 -0.207 0.000 0.952 24 R CB -0.143 30.064 30.300 -0.155 0.000 0.848 24 R HN 0.480 nan 8.270 nan 0.000 0.430 25 N N -0.524 118.128 118.700 -0.080 0.000 2.171 25 N HA 0.142 4.882 4.740 0.000 0.000 0.212 25 N C 0.237 175.741 175.510 -0.011 0.000 1.184 25 N CA 0.760 53.783 53.050 -0.044 0.000 0.888 25 N CB 1.677 40.135 38.487 -0.048 0.000 1.038 25 N HN 0.298 nan 8.380 nan 0.000 0.517 26 G N 1.188 109.998 108.800 0.017 0.000 2.828 26 G HA2 -0.237 3.723 3.960 0.000 0.000 0.463 26 G HA3 -0.237 3.723 3.960 0.000 0.000 0.463 26 G C -0.485 174.434 174.900 0.031 0.000 1.394 26 G CA -0.695 44.438 45.100 0.056 0.000 0.862 26 G HN 0.132 nan 8.290 nan 0.000 0.540 27 L N -0.014 121.235 121.223 0.044 0.000 2.475 27 L HA 0.381 4.721 4.340 0.000 0.000 0.253 27 L C 1.413 178.287 176.870 0.007 0.000 1.198 27 L CA -0.499 54.357 54.840 0.027 0.000 0.814 27 L CB 0.548 42.636 42.059 0.048 0.000 1.134 27 L HN 0.712 nan 8.230 nan 0.000 0.478 28 K N 1.551 121.949 120.400 -0.003 0.000 2.412 28 K HA 0.236 4.556 4.320 0.000 0.000 0.284 28 K C -0.211 176.384 176.600 -0.008 0.000 1.046 28 K CA -0.452 55.828 56.287 -0.011 0.000 0.999 28 K CB 0.702 33.193 32.500 -0.015 0.000 0.941 28 K HN 0.635 nan 8.250 nan 0.000 0.474 29 A N 3.853 126.660 122.820 -0.023 0.000 2.587 29 A HA -0.031 4.289 4.320 0.000 0.000 0.235 29 A C 0.354 177.905 177.584 -0.054 0.000 1.044 29 A CA 0.456 52.467 52.037 -0.044 0.000 0.754 29 A CB 0.163 19.135 19.000 -0.047 0.000 0.968 29 A HN 0.796 nan 8.150 nan 0.000 0.509 30 T N 0.740 115.229 114.554 -0.109 0.000 2.909 30 T HA 0.402 4.752 4.350 0.000 0.000 0.289 30 T C 1.243 175.876 174.700 -0.112 0.000 1.005 30 T CA 0.123 62.147 62.100 -0.127 0.000 1.084 30 T CB 0.463 69.124 68.868 -0.346 0.000 0.975 30 T HN 1.180 nan 8.240 nan 0.000 0.509 31 S N 2.715 118.379 115.700 -0.061 0.000 2.559 31 S HA 0.233 4.703 4.470 0.000 0.000 0.226 31 S C 0.428 175.010 174.600 -0.030 0.000 1.000 31 S CA -0.527 57.647 58.200 -0.043 0.000 0.948 31 S CB -0.092 63.095 63.200 -0.021 0.000 0.870 31 S HN 0.630 nan 8.310 nan 0.000 0.497 32 N N 2.253 120.938 118.700 -0.026 0.000 2.752 32 N HA 0.438 5.178 4.740 0.000 0.000 0.260 32 N C -3.400 172.127 175.510 0.028 0.000 1.562 32 N CA -1.616 51.444 53.050 0.017 0.000 0.788 32 N CB 0.968 39.491 38.487 0.059 0.000 1.192 32 N HN 0.002 nan 8.380 nan 0.000 0.503 33 P HA 0.039 nan 4.420 nan 0.000 0.264 33 P C -0.604 176.800 177.300 0.173 0.000 1.183 33 P CA 0.445 63.509 63.100 -0.060 0.000 0.763 33 P CB 0.564 32.219 31.700 -0.075 0.000 0.807 34 K N 1.750 122.427 120.400 0.462 0.000 2.400 34 K HA 0.401 4.721 4.320 0.000 0.000 0.246 34 K C -0.749 176.058 176.600 0.346 0.000 0.995 34 K CA -0.873 55.642 56.287 0.378 0.000 0.840 34 K CB 1.253 34.000 32.500 0.411 0.000 1.293 34 K HN 0.462 nan 8.250 nan 0.000 0.445 35 H N 0.820 119.971 119.070 0.135 0.000 2.556 35 H HA 0.442 4.998 4.556 0.000 0.000 0.310 35 H C -1.269 174.105 175.328 0.076 0.000 1.057 35 H CA -0.651 55.446 56.048 0.081 0.000 1.264 35 H CB 0.290 30.076 29.762 0.041 0.000 1.404 35 H HN 0.122 nan 8.280 nan 0.000 0.462 36 V N 6.571 126.565 119.914 0.134 0.000 2.448 36 V HA 0.282 4.402 4.120 0.000 0.000 0.295 36 V C -0.225 175.803 176.094 -0.109 0.000 1.025 36 V CA -0.921 61.365 62.300 -0.024 0.000 0.859 36 V CB 1.774 33.577 31.823 -0.032 0.000 0.988 36 V HN 0.546 nan 8.190 nan 0.000 0.431 37 V N 5.774 125.584 119.914 -0.172 0.000 2.481 37 V HA 0.478 4.598 4.120 0.000 0.000 0.286 37 V C -0.202 175.825 176.094 -0.111 0.000 1.042 37 V CA -0.473 61.726 62.300 -0.168 0.000 0.928 37 V CB 1.710 33.416 31.823 -0.195 0.000 0.986 37 V HN 0.577 nan 8.190 nan 0.000 0.462 38 I N 5.297 125.800 120.570 -0.113 0.000 2.362 38 I HA 0.345 4.515 4.170 0.000 0.000 0.289 38 I C -0.151 175.902 176.117 -0.107 0.000 0.994 38 I CA -0.564 60.681 61.300 -0.091 0.000 1.158 38 I CB 1.707 39.663 38.000 -0.073 0.000 1.315 38 I HN 0.234 nan 8.210 nan 0.000 0.451 39 V N 5.417 125.283 119.914 -0.080 0.000 2.334 39 V HA 0.741 4.861 4.120 0.000 0.000 0.267 39 V C 0.584 176.653 176.094 -0.042 0.000 1.040 39 V CA -0.279 61.977 62.300 -0.072 0.000 0.866 39 V CB 0.503 32.303 31.823 -0.038 0.000 1.019 39 V HN 1.066 nan 8.190 nan 0.000 0.468 40 G N 4.193 112.949 108.800 -0.072 0.000 3.355 40 G HA2 0.269 4.229 3.960 0.000 0.000 0.686 40 G HA3 0.269 4.229 3.960 0.000 0.000 0.686 40 G C -0.196 174.673 174.900 -0.050 0.000 1.097 40 G CA -0.357 44.713 45.100 -0.049 0.000 0.881 40 G HN 1.429 nan 8.290 nan 0.000 0.550 41 A N 1.835 124.622 122.820 -0.056 0.000 3.181 41 A HA 0.774 5.094 4.320 0.000 0.000 0.293 41 A C 1.332 178.912 177.584 -0.007 0.000 1.346 41 A CA 1.057 53.071 52.037 -0.038 0.000 1.018 41 A CB -0.255 18.710 19.000 -0.059 0.000 1.093 41 A HN 2.079 nan 8.150 nan 0.000 0.629 42 G N -1.143 107.657 108.800 -0.001 0.000 2.525 42 G HA2 0.413 4.373 3.960 0.000 0.000 0.287 42 G HA3 0.413 4.373 3.960 0.000 0.000 0.287 42 G C 0.969 175.865 174.900 -0.008 0.000 1.350 42 G CA -0.495 44.609 45.100 0.007 0.000 1.039 42 G HN 0.114 nan 8.290 nan 0.000 0.513 43 M N 0.098 119.690 119.600 -0.015 0.000 2.159 43 M HA -0.070 4.410 4.480 0.000 0.000 0.263 43 M C 2.818 179.092 176.300 -0.043 0.000 1.063 43 M CA 1.486 56.764 55.300 -0.036 0.000 1.110 43 M CB -1.588 30.995 32.600 -0.029 0.000 1.374 43 M HN 0.591 nan 8.290 nan 0.000 0.411 44 A N -0.003 122.804 122.820 -0.022 0.000 1.873 44 A HA 0.030 4.351 4.320 0.000 0.000 0.215 44 A C 2.450 180.021 177.584 -0.022 0.000 1.186 44 A CA 1.913 53.936 52.037 -0.025 0.000 0.616 44 A CB -1.407 17.586 19.000 -0.011 0.000 0.823 44 A HN 0.485 nan 8.150 nan 0.000 0.442 45 G N -0.251 108.543 108.800 -0.011 0.000 2.404 45 G HA2 -0.135 3.825 3.960 0.000 0.000 0.215 45 G HA3 -0.135 3.825 3.960 0.000 0.000 0.215 45 G C 1.573 176.467 174.900 -0.010 0.000 1.174 45 G CA 0.985 46.077 45.100 -0.014 0.000 0.780 45 G HN 0.406 nan 8.290 nan 0.000 0.537 46 L N 0.796 122.012 121.223 -0.010 0.000 2.046 46 L HA -0.102 4.238 4.340 0.000 0.000 0.208 46 L C 3.219 180.098 176.870 0.015 0.000 1.077 46 L CA 1.259 56.104 54.840 0.009 0.000 0.747 46 L CB -0.348 41.707 42.059 -0.007 0.000 0.896 46 L HN 0.189 nan 8.230 nan 0.000 0.432 47 S N -0.126 115.543 115.700 -0.051 0.000 2.356 47 S HA -0.157 4.313 4.470 0.000 0.000 0.223 47 S C 2.201 176.831 174.600 0.050 0.000 1.032 47 S CA 1.173 59.328 58.200 -0.075 0.000 1.005 47 S CB -0.318 62.799 63.200 -0.139 0.000 0.867 47 S HN 0.499 nan 8.310 nan 0.000 0.449 48 A N 1.744 124.577 122.820 0.022 0.000 1.877 48 A HA 0.064 4.384 4.320 0.000 0.000 0.216 48 A C 2.377 179.985 177.584 0.039 0.000 1.186 48 A CA 1.815 53.865 52.037 0.021 0.000 0.620 48 A CB -1.191 17.797 19.000 -0.019 0.000 0.822 48 A HN 0.518 nan 8.150 nan 0.000 0.443 49 A N -1.629 121.217 122.820 0.043 0.000 1.902 49 A HA -0.122 4.198 4.320 0.000 0.000 0.217 49 A C 2.149 179.788 177.584 0.091 0.000 1.181 49 A CA 1.700 53.766 52.037 0.048 0.000 0.623 49 A CB -0.870 18.152 19.000 0.038 0.000 0.818 49 A HN 0.711 nan 8.150 nan 0.000 0.443 50 Y N 1.065 121.377 120.300 0.021 0.000 2.097 50 Y HA -0.255 4.295 4.550 0.000 0.000 0.282 50 Y C 2.541 178.493 175.900 0.085 0.000 1.152 50 Y CA 2.668 60.805 58.100 0.060 0.000 1.136 50 Y CB -0.258 38.244 38.460 0.070 0.000 0.975 50 Y HN 0.209 nan 8.280 nan 0.000 0.498 51 V N -1.810 118.241 119.914 0.229 0.000 2.548 51 V HA -0.188 3.932 4.120 0.000 0.000 0.249 51 V C 2.111 178.242 176.094 0.063 0.000 1.055 51 V CA 1.715 64.105 62.300 0.150 0.000 1.065 51 V CB -0.993 30.957 31.823 0.212 0.000 0.681 51 V HN 0.447 nan 8.190 nan 0.000 0.462 52 L N 0.644 121.901 121.223 0.056 0.000 2.093 52 L HA 0.012 4.352 4.340 0.000 0.000 0.208 52 L C 3.008 179.936 176.870 0.098 0.000 1.085 52 L CA 1.515 56.401 54.840 0.077 0.000 0.755 52 L CB -0.765 41.293 42.059 -0.002 0.000 0.904 52 L HN 0.422 nan 8.230 nan 0.000 0.435 53 A N 0.232 123.061 122.820 0.014 0.000 1.898 53 A HA -0.105 4.215 4.320 0.000 0.000 0.216 53 A C 2.379 179.921 177.584 -0.071 0.000 1.181 53 A CA 1.606 53.629 52.037 -0.024 0.000 0.620 53 A CB -1.214 17.744 19.000 -0.071 0.000 0.819 53 A HN 0.425 nan 8.150 nan 0.000 0.442 54 G N -0.639 108.081 108.800 -0.134 0.000 2.448 54 G HA2 0.053 4.013 3.960 0.000 0.000 0.219 54 G HA3 0.053 4.013 3.960 0.000 0.000 0.219 54 G C 1.518 176.380 174.900 -0.063 0.000 1.127 54 G CA 1.171 46.189 45.100 -0.136 0.000 0.766 54 G HN 0.816 nan 8.290 nan 0.000 0.552 55 A N -0.533 122.278 122.820 -0.014 0.000 2.167 55 A HA 0.450 4.770 4.320 0.000 0.000 0.214 55 A C 2.016 179.537 177.584 -0.105 0.000 1.151 55 A CA 1.474 53.504 52.037 -0.011 0.000 0.735 55 A CB -0.316 18.740 19.000 0.094 0.000 0.802 55 A HN 1.560 nan 8.150 nan 0.000 0.467 56 G N -2.069 106.669 108.800 -0.103 0.000 2.184 56 G HA2 -0.178 3.782 3.960 0.000 0.000 0.206 56 G HA3 -0.178 3.782 3.960 0.000 0.000 0.206 56 G C 0.029 174.812 174.900 -0.195 0.000 0.995 56 G CA 0.182 45.186 45.100 -0.159 0.000 0.651 56 G HN 0.698 nan 8.290 nan 0.000 0.511 57 H N 0.215 119.276 119.070 -0.014 0.000 2.546 57 H HA 0.558 5.114 4.556 0.000 0.000 0.365 57 H C 0.595 175.931 175.328 0.013 0.000 1.220 57 H CA 0.302 56.356 56.048 0.010 0.000 1.386 57 H CB 0.763 30.534 29.762 0.016 0.000 1.510 57 H HN 0.258 nan 8.280 nan 0.000 0.591 58 Q N 2.374 122.285 119.800 0.184 0.000 2.349 58 Q HA 0.346 4.686 4.340 0.000 0.000 0.254 58 Q C -1.169 174.953 176.000 0.203 0.000 0.980 58 Q CA -0.801 55.063 55.803 0.102 0.000 0.924 58 Q CB 0.492 29.220 28.738 -0.017 0.000 1.209 58 Q HN 0.524 nan 8.270 nan 0.000 0.445 59 V N 1.548 121.539 119.914 0.129 0.000 2.581 59 V HA 0.739 4.860 4.120 0.000 0.000 0.303 59 V C -0.606 175.541 176.094 0.090 0.000 1.041 59 V CA -0.404 61.966 62.300 0.117 0.000 0.907 59 V CB 2.026 33.879 31.823 0.051 0.000 0.994 59 V HN 0.683 nan 8.190 nan 0.000 0.442 60 T N 4.247 118.834 114.554 0.054 0.000 2.864 60 T HA 0.552 4.902 4.350 0.000 0.000 0.299 60 T C -0.519 174.072 174.700 -0.181 0.000 1.011 60 T CA -0.314 61.743 62.100 -0.071 0.000 0.975 60 T CB 1.267 70.116 68.868 -0.032 0.000 0.962 60 T HN 0.736 nan 8.240 nan 0.000 0.448 61 V N 5.423 125.209 119.914 -0.214 0.000 2.370 61 V HA 0.468 4.588 4.120 0.000 0.000 0.279 61 V C -0.189 175.702 176.094 -0.339 0.000 1.029 61 V CA -0.773 61.397 62.300 -0.217 0.000 0.870 61 V CB 1.138 32.876 31.823 -0.141 0.000 0.984 61 V HN 0.730 nan 8.190 nan 0.000 0.451 62 L N 4.464 125.488 121.223 -0.330 0.000 2.294 62 L HA 0.611 4.951 4.340 0.000 0.000 0.283 62 L C -0.273 176.433 176.870 -0.273 0.000 1.015 62 L CA -0.426 54.178 54.840 -0.393 0.000 0.831 62 L CB 1.594 43.368 42.059 -0.475 0.000 1.217 62 L HN 0.613 nan 8.230 nan 0.000 0.420 63 E N 2.289 122.327 120.200 -0.270 0.000 2.158 63 E HA 0.501 4.851 4.350 0.000 0.000 0.271 63 E C 0.363 176.872 176.600 -0.152 0.000 0.911 63 E CA -0.304 55.982 56.400 -0.190 0.000 0.767 63 E CB 2.070 31.667 29.700 -0.171 0.000 1.120 63 E HN 0.560 nan 8.360 nan 0.000 0.405 64 A N 3.642 126.322 122.820 -0.233 0.000 1.930 64 A HA -0.017 4.303 4.320 0.000 0.000 0.217 64 A C 1.267 178.641 177.584 -0.351 0.000 1.175 64 A CA 1.440 53.300 52.037 -0.296 0.000 0.627 64 A CB -0.702 18.034 19.000 -0.441 0.000 0.815 64 A HN 0.696 nan 8.150 nan 0.000 0.443 65 S N -0.235 115.183 115.700 -0.469 0.000 2.652 65 S HA 0.264 4.734 4.470 0.000 0.000 0.267 65 S C 0.789 175.390 174.600 0.002 0.000 1.201 65 S CA 0.252 58.322 58.200 -0.218 0.000 0.996 65 S CB 0.512 63.604 63.200 -0.180 0.000 1.054 65 S HN 0.466 nan 8.310 nan 0.000 0.561 66 E N 0.255 120.427 120.200 -0.048 0.000 2.479 66 E HA 0.080 4.430 4.350 0.000 0.000 0.193 66 E C 0.406 176.624 176.600 -0.637 0.000 1.049 66 E CA -0.210 56.078 56.400 -0.187 0.000 0.870 66 E CB -0.257 29.359 29.700 -0.140 0.000 0.944 66 E HN 0.752 nan 8.360 nan 0.000 0.492 67 R N -0.065 120.143 120.500 -0.485 0.000 2.799 67 R HA 0.618 4.958 4.340 0.000 0.000 0.270 67 R C -3.094 173.097 176.300 -0.182 0.000 1.010 67 R CA -1.870 53.843 56.100 -0.645 0.000 0.916 67 R CB 1.444 31.535 30.300 -0.347 0.000 1.228 67 R HN -0.214 nan 8.270 nan 0.000 0.469 68 P HA 0.290 nan 4.420 nan 0.000 0.287 68 P C 0.067 177.354 177.300 -0.022 0.000 1.270 68 P CA 0.290 63.400 63.100 0.017 0.000 0.844 68 P CB 1.850 33.499 31.700 -0.086 0.000 1.068 69 G N 0.184 108.988 108.800 0.006 0.000 2.428 69 G HA2 -0.006 3.954 3.960 0.000 0.000 0.199 69 G HA3 -0.006 3.954 3.960 0.000 0.000 0.199 69 G C 0.697 175.613 174.900 0.026 0.000 1.005 69 G CA 0.403 45.508 45.100 0.007 0.000 0.671 69 G HN 0.903 nan 8.290 nan 0.000 0.485 70 G N 0.585 109.415 108.800 0.050 0.000 2.629 70 G HA2 -0.399 3.561 3.960 0.000 0.000 0.313 70 G HA3 -0.399 3.561 3.960 0.000 0.000 0.313 70 G C 0.971 175.943 174.900 0.120 0.000 1.217 70 G CA 1.492 46.642 45.100 0.083 0.000 0.994 70 G HN 1.098 nan 8.290 nan 0.000 0.549 71 R N -0.192 120.305 120.500 -0.005 0.000 2.280 71 R HA 0.223 4.563 4.340 0.000 0.000 0.207 71 R C 0.769 176.969 176.300 -0.167 0.000 1.043 71 R CA 0.566 56.509 56.100 -0.263 0.000 1.006 71 R CB -0.016 29.957 30.300 -0.545 0.000 0.885 71 R HN 0.238 nan 8.270 nan 0.000 0.467 72 V N 2.270 122.162 119.914 -0.037 0.000 2.356 72 V HA 0.181 4.301 4.120 0.000 0.000 0.258 72 V C 0.073 176.212 176.094 0.076 0.000 1.065 72 V CA -0.066 62.235 62.300 0.002 0.000 0.935 72 V CB 0.475 32.294 31.823 -0.006 0.000 1.061 72 V HN 0.156 nan 8.190 nan 0.000 0.484 73 R N 3.113 123.705 120.500 0.153 0.000 2.604 73 R HA 0.645 4.985 4.340 0.000 0.000 0.281 73 R C -1.145 175.240 176.300 0.142 0.000 1.020 73 R CA -0.394 55.807 56.100 0.169 0.000 0.899 73 R CB 2.237 32.719 30.300 0.303 0.000 1.205 73 R HN 0.587 nan 8.270 nan 0.000 0.450 74 T N 3.417 118.012 114.554 0.069 0.000 2.841 74 T HA 0.204 4.554 4.350 0.000 0.000 0.285 74 T C -1.436 173.292 174.700 0.047 0.000 0.991 74 T CA -0.405 61.733 62.100 0.064 0.000 0.966 74 T CB 0.702 69.550 68.868 -0.034 0.000 0.962 74 T HN 0.443 nan 8.240 nan 0.000 0.438 75 Y N 3.754 124.023 120.300 -0.052 0.000 2.316 75 Y HA 0.542 5.092 4.550 0.000 0.000 0.331 75 Y C 0.340 176.147 175.900 -0.155 0.000 1.083 75 Y CA -0.386 57.644 58.100 -0.116 0.000 1.206 75 Y CB 0.536 38.905 38.460 -0.152 0.000 1.195 75 Y HN 0.474 nan 8.280 nan 0.000 0.497 76 R N 4.476 124.537 120.500 -0.731 0.000 2.750 76 R HA 0.271 4.611 4.340 0.000 0.000 0.281 76 R C -1.375 174.393 176.300 -0.887 0.000 0.972 76 R CA -1.035 54.688 56.100 -0.629 0.000 0.912 76 R CB 1.794 31.875 30.300 -0.365 0.000 1.187 76 R HN 0.798 nan 8.270 nan 0.000 0.464 77 N N 1.094 119.273 118.700 -0.869 0.000 2.762 77 N HA 0.056 4.796 4.740 0.000 0.000 0.252 77 N C -0.091 175.118 175.510 -0.503 0.000 1.269 77 N CA -0.047 52.560 53.050 -0.738 0.000 0.799 77 N CB 0.907 38.785 38.487 -1.015 0.000 1.173 77 N HN 0.477 nan 8.380 nan 0.000 0.516 78 E N 0.967 120.971 120.200 -0.326 0.000 2.065 78 E HA -0.257 4.093 4.350 0.000 0.000 0.201 78 E C 0.958 177.477 176.600 -0.135 0.000 1.016 78 E CA 1.777 58.058 56.400 -0.197 0.000 0.818 78 E CB 0.174 29.787 29.700 -0.145 0.000 0.749 78 E HN 0.634 nan 8.360 nan 0.000 0.453 79 E N -0.382 119.748 120.200 -0.115 0.000 2.110 79 E HA -0.135 4.215 4.350 0.000 0.000 0.193 79 E C 1.838 178.433 176.600 -0.009 0.000 0.988 79 E CA 0.973 57.343 56.400 -0.049 0.000 0.804 79 E CB -0.118 29.560 29.700 -0.036 0.000 0.745 79 E HN 0.279 nan 8.360 nan 0.000 0.458 80 A N 0.460 123.266 122.820 -0.023 0.000 2.169 80 A HA 0.220 4.540 4.320 0.000 0.000 0.212 80 A C 1.712 179.385 177.584 0.148 0.000 1.153 80 A CA 0.749 52.865 52.037 0.131 0.000 0.756 80 A CB -0.325 18.870 19.000 0.324 0.000 0.813 80 A HN 0.314 nan 8.150 nan 0.000 0.471 81 G N -1.354 107.422 108.800 -0.039 0.000 2.225 81 G HA2 -0.226 3.734 3.960 0.000 0.000 0.264 81 G HA3 -0.226 3.734 3.960 0.000 0.000 0.264 81 G C -0.095 174.688 174.900 -0.196 0.000 1.060 81 G CA 0.439 45.515 45.100 -0.039 0.000 0.833 81 G HN 1.355 nan 8.290 nan 0.000 0.498 82 W N -1.637 119.375 121.300 -0.479 0.000 3.042 82 W HA 0.748 5.408 4.660 0.000 0.000 0.342 82 W C -0.711 175.544 176.519 -0.441 0.000 1.240 82 W CA -1.583 55.099 57.345 -1.105 0.000 1.166 82 W CB 0.656 29.490 29.460 -1.044 0.000 1.469 82 W HN 0.561 nan 8.180 nan 0.000 0.579 83 Y N -0.324 119.965 120.300 -0.018 0.000 2.644 83 Y HA 0.873 5.423 4.550 0.000 0.000 0.338 83 Y C -1.569 174.650 175.900 0.531 0.000 1.119 83 Y CA -1.919 56.274 58.100 0.155 0.000 1.060 83 Y CB 1.215 39.728 38.460 0.088 0.000 1.294 83 Y HN 0.836 nan 8.280 nan 0.000 0.472 84 A N 2.171 125.358 122.820 0.612 0.000 2.437 84 A HA 0.511 4.831 4.320 0.000 0.000 0.293 84 A C -1.783 175.958 177.584 0.262 0.000 1.038 84 A CA -1.032 51.210 52.037 0.342 0.000 0.708 84 A CB 0.889 19.784 19.000 -0.175 0.000 1.251 84 A HN 0.715 nan 8.150 nan 0.000 0.409 85 N N 2.827 121.756 118.700 0.383 0.000 2.401 85 N HA 0.210 4.950 4.740 0.000 0.000 0.255 85 N C 1.039 176.717 175.510 0.280 0.000 1.110 85 N CA -0.120 53.107 53.050 0.296 0.000 0.949 85 N CB 1.149 39.823 38.487 0.312 0.000 1.110 85 N HN 0.664 nan 8.380 nan 0.000 0.490 86 L N 0.583 121.943 121.223 0.228 0.000 2.240 86 L HA 0.051 4.391 4.340 0.000 0.000 0.211 86 L C 1.751 178.991 176.870 0.616 0.000 1.106 86 L CA 0.809 55.870 54.840 0.368 0.000 0.793 86 L CB -0.154 42.046 42.059 0.235 0.000 0.927 86 L HN 0.489 nan 8.230 nan 0.000 0.446 87 G N -0.595 108.463 108.800 0.430 0.000 3.110 87 G HA2 0.271 4.231 3.960 0.000 0.000 0.207 87 G HA3 0.271 4.231 3.960 0.000 0.000 0.207 87 G C -2.354 172.511 174.900 -0.059 0.000 1.841 87 G CA -0.251 44.927 45.100 0.129 0.000 0.751 87 G HN -0.002 nan 8.290 nan 0.000 0.771 88 P HA 0.158 nan 4.420 nan 0.000 0.265 88 P C 0.371 177.633 177.300 -0.063 0.000 1.187 88 P CA 0.886 63.916 63.100 -0.115 0.000 0.766 88 P CB 0.646 32.305 31.700 -0.068 0.000 0.820 89 M N 1.233 120.752 119.600 -0.135 0.000 2.163 89 M HA 0.263 4.743 4.480 0.000 0.000 0.356 89 M C -0.133 175.998 176.300 -0.281 0.000 0.863 89 M CA -0.070 55.156 55.300 -0.123 0.000 1.113 89 M CB 0.905 33.408 32.600 -0.161 0.000 2.038 89 M HN 0.106 nan 8.290 nan 0.000 0.691 90 R N 1.101 121.429 120.500 -0.285 0.000 2.668 90 R HA 0.823 5.163 4.340 0.000 0.000 0.272 90 R C -1.920 174.483 176.300 0.171 0.000 1.019 90 R CA -0.859 55.111 56.100 -0.216 0.000 0.894 90 R CB 1.850 31.745 30.300 -0.674 0.000 1.228 90 R HN 0.234 nan 8.270 nan 0.000 0.460 91 L N 1.684 123.023 121.223 0.194 0.000 2.376 91 L HA 0.500 4.840 4.340 0.000 0.000 0.275 91 L C -2.504 174.244 176.870 -0.202 0.000 0.987 91 L CA -2.512 52.403 54.840 0.126 0.000 0.828 91 L CB 2.518 44.647 42.059 0.115 0.000 1.249 91 L HN 0.388 nan 8.230 nan 0.000 0.409 92 P HA 0.008 nan 4.420 nan 0.000 0.268 92 P C 0.466 177.359 177.300 -0.678 0.000 1.205 92 P CA -0.074 62.285 63.100 -1.235 0.000 0.771 92 P CB 0.851 31.583 31.700 -1.612 0.000 0.858 93 E N 3.366 123.226 120.200 -0.566 0.000 2.160 93 E HA -0.269 4.081 4.350 0.000 0.000 0.195 93 E C 1.550 178.019 176.600 -0.218 0.000 0.991 93 E CA 1.214 57.444 56.400 -0.284 0.000 0.810 93 E CB -0.053 29.516 29.700 -0.219 0.000 0.742 93 E HN 0.314 nan 8.360 nan 0.000 0.466 94 K N 0.043 120.259 120.400 -0.307 0.000 2.442 94 K HA -0.113 4.207 4.320 0.000 0.000 0.198 94 K C -0.048 176.544 176.600 -0.013 0.000 1.042 94 K CA 0.628 56.804 56.287 -0.184 0.000 0.958 94 K CB -0.122 32.228 32.500 -0.251 0.000 0.766 94 K HN 0.300 nan 8.250 nan 0.000 0.474 95 H N 1.257 120.231 119.070 -0.160 0.000 3.014 95 H HA 0.120 4.676 4.556 0.000 0.000 0.266 95 H C 0.554 175.915 175.328 0.054 0.000 1.455 95 H CA -1.057 54.965 56.048 -0.043 0.000 1.402 95 H CB 0.692 30.408 29.762 -0.077 0.000 1.626 95 H HN 0.092 nan 8.280 nan 0.000 0.520 96 R N 2.052 122.709 120.500 0.262 0.000 2.081 96 R HA -0.115 4.225 4.340 0.000 0.000 0.235 96 R C 1.882 178.222 176.300 0.065 0.000 1.131 96 R CA 0.800 56.992 56.100 0.154 0.000 0.960 96 R CB -0.457 29.955 30.300 0.186 0.000 0.856 96 R HN 0.593 nan 8.270 nan 0.000 0.436 97 I N 0.259 120.876 120.570 0.078 0.000 2.142 97 I HA -0.240 3.930 4.170 0.000 0.000 0.240 97 I C 2.517 178.701 176.117 0.111 0.000 1.078 97 I CA 1.250 62.554 61.300 0.007 0.000 1.343 97 I CB -0.452 37.548 38.000 -0.001 0.000 1.046 97 I HN -0.036 nan 8.210 nan 0.000 0.405 98 V N 1.172 121.182 119.914 0.160 0.000 2.407 98 V HA -0.275 3.845 4.120 0.000 0.000 0.248 98 V C 2.589 178.774 176.094 0.152 0.000 1.055 98 V CA 1.896 64.314 62.300 0.195 0.000 1.049 98 V CB -0.489 31.440 31.823 0.176 0.000 0.662 98 V HN 0.345 nan 8.190 nan 0.000 0.455 99 R N -0.277 120.281 120.500 0.098 0.000 2.115 99 R HA -0.167 4.173 4.340 0.000 0.000 0.230 99 R C 2.248 178.540 176.300 -0.014 0.000 1.111 99 R CA 1.563 57.694 56.100 0.050 0.000 0.976 99 R CB -0.274 30.047 30.300 0.036 0.000 0.870 99 R HN 0.643 nan 8.270 nan 0.000 0.445 100 E N 0.239 120.392 120.200 -0.079 0.000 2.077 100 E HA -0.190 4.160 4.350 0.000 0.000 0.193 100 E C 1.377 177.784 176.600 -0.323 0.000 0.989 100 E CA 1.572 57.839 56.400 -0.221 0.000 0.800 100 E CB -0.290 29.214 29.700 -0.327 0.000 0.746 100 E HN 0.411 nan 8.360 nan 0.000 0.452 101 Y N 0.075 120.272 120.300 -0.171 0.000 2.242 101 Y HA -0.051 4.499 4.550 0.000 0.000 0.291 101 Y C 2.254 178.019 175.900 -0.224 0.000 1.137 101 Y CA 1.182 59.087 58.100 -0.326 0.000 1.181 101 Y CB -0.089 38.282 38.460 -0.148 0.000 0.989 101 Y HN 0.053 nan 8.280 nan 0.000 0.527 102 I N -0.376 120.261 120.570 0.113 0.000 2.208 102 I HA -0.353 3.817 4.170 0.000 0.000 0.245 102 I C 2.696 178.848 176.117 0.058 0.000 1.097 102 I CA 1.361 62.744 61.300 0.138 0.000 1.363 102 I CB -0.324 37.742 38.000 0.109 0.000 1.051 102 I HN 0.169 nan 8.210 nan 0.000 0.413 103 R N 1.128 121.610 120.500 -0.029 0.000 2.062 103 R HA -0.209 4.131 4.340 0.000 0.000 0.231 103 R C 2.399 178.642 176.300 -0.096 0.000 1.136 103 R CA 1.619 57.688 56.100 -0.053 0.000 0.948 103 R CB -0.190 30.059 30.300 -0.085 0.000 0.845 103 R HN 0.203 nan 8.270 nan 0.000 0.430 104 K N -0.314 119.941 120.400 -0.242 0.000 2.113 104 K HA -0.165 4.156 4.320 0.000 0.000 0.208 104 K C 1.084 177.530 176.600 -0.257 0.000 1.047 104 K CA 1.534 57.611 56.287 -0.349 0.000 0.928 104 K CB -0.072 32.041 32.500 -0.644 0.000 0.716 104 K HN 0.115 nan 8.250 nan 0.000 0.446 105 F N 1.607 121.581 119.950 0.040 0.000 2.692 105 F HA 0.109 4.636 4.527 0.000 0.000 0.303 105 F C -0.093 175.725 175.800 0.029 0.000 1.114 105 F CA -0.290 57.733 58.000 0.039 0.000 1.361 105 F CB -0.022 38.999 39.000 0.034 0.000 1.063 105 F HN 0.058 nan 8.300 nan 0.000 0.550 106 D N 1.052 121.537 120.400 0.141 0.000 2.708 106 D HA -0.213 4.427 4.640 0.000 0.000 0.236 106 D C -0.062 176.298 176.300 0.100 0.000 1.146 106 D CA 0.630 54.688 54.000 0.096 0.000 0.662 106 D CB -1.288 39.564 40.800 0.086 0.000 1.059 106 D HN 0.261 nan 8.370 nan 0.000 0.428 107 L N -0.312 120.980 121.223 0.115 0.000 2.399 107 L HA 0.480 4.820 4.340 0.000 0.000 0.265 107 L C 1.137 178.050 176.870 0.072 0.000 1.089 107 L CA -0.776 54.121 54.840 0.096 0.000 0.802 107 L CB 0.905 43.035 42.059 0.118 0.000 1.180 107 L HN -0.236 nan 8.230 nan 0.000 0.454 108 R N 1.799 122.337 120.500 0.063 0.000 2.668 108 R HA 0.697 5.038 4.340 0.000 0.000 0.279 108 R C -0.855 175.486 176.300 0.068 0.000 0.976 108 R CA -0.793 55.343 56.100 0.060 0.000 0.978 108 R CB 1.383 31.717 30.300 0.057 0.000 1.133 108 R HN 0.475 nan 8.270 nan 0.000 0.484 109 L N 1.218 122.483 121.223 0.070 0.000 2.334 109 L HA 0.487 4.827 4.340 0.000 0.000 0.273 109 L C -0.215 176.712 176.870 0.096 0.000 1.013 109 L CA -0.958 53.934 54.840 0.086 0.000 0.816 109 L CB 1.846 43.951 42.059 0.076 0.000 1.278 109 L HN 0.548 nan 8.230 nan 0.000 0.431 110 N N 0.655 119.431 118.700 0.128 0.000 2.310 110 N HA 0.144 4.884 4.740 0.000 0.000 0.292 110 N C -0.945 174.670 175.510 0.175 0.000 1.049 110 N CA -0.636 52.496 53.050 0.138 0.000 0.849 110 N CB 1.925 40.505 38.487 0.155 0.000 1.532 110 N HN 0.572 nan 8.380 nan 0.000 0.479 111 E N 2.834 123.122 120.200 0.146 0.000 2.465 111 E HA -0.003 4.347 4.350 0.000 0.000 0.260 111 E C -1.143 175.591 176.600 0.223 0.000 0.980 111 E CA 0.107 56.612 56.400 0.174 0.000 0.927 111 E CB 0.335 30.106 29.700 0.118 0.000 0.934 111 E HN 0.464 nan 8.360 nan 0.000 0.459 112 F N 4.519 124.558 119.950 0.148 0.000 2.361 112 F HA 0.228 4.755 4.527 0.000 0.000 0.364 112 F C -0.109 175.762 175.800 0.117 0.000 1.117 112 F CA -0.606 57.482 58.000 0.147 0.000 1.071 112 F CB 1.246 40.347 39.000 0.169 0.000 1.188 112 F HN 0.350 nan 8.300 nan 0.000 0.464 113 S N 4.781 120.390 115.700 -0.151 0.000 2.510 113 S HA 0.084 4.554 4.470 0.000 0.000 0.279 113 S C 0.927 175.527 174.600 -0.000 0.000 1.284 113 S CA -0.539 57.633 58.200 -0.046 0.000 1.059 113 S CB 0.850 63.996 63.200 -0.090 0.000 0.901 113 S HN 0.817 nan 8.310 nan 0.000 0.491 114 Q N 2.388 122.233 119.800 0.076 0.000 2.311 114 Q HA 0.101 4.441 4.340 0.000 0.000 0.203 114 Q C 0.283 176.302 176.000 0.032 0.000 0.954 114 Q CA 0.864 56.700 55.803 0.055 0.000 0.885 114 Q CB 0.046 28.748 28.738 -0.060 0.000 0.963 114 Q HN 0.966 nan 8.270 nan 0.000 0.471 115 E N -1.010 119.191 120.200 0.001 0.000 2.401 115 E HA 0.476 4.826 4.350 0.000 0.000 0.280 115 E C -1.455 175.119 176.600 -0.044 0.000 1.039 115 E CA -0.816 55.568 56.400 -0.027 0.000 0.814 115 E CB 1.039 30.732 29.700 -0.012 0.000 1.275 115 E HN -0.042 nan 8.360 nan 0.000 0.448 116 N N 0.537 119.192 118.700 -0.075 0.000 2.454 116 N HA 0.185 4.925 4.740 0.000 0.000 0.291 116 N C -0.621 174.813 175.510 -0.128 0.000 1.079 116 N CA -0.488 52.507 53.050 -0.093 0.000 0.893 116 N CB 1.348 39.765 38.487 -0.117 0.000 1.512 116 N HN 0.517 nan 8.380 nan 0.000 0.497 117 D N 1.911 122.250 120.400 -0.102 0.000 2.265 117 D HA -0.121 4.519 4.640 0.000 0.000 0.208 117 D C 0.474 176.649 176.300 -0.208 0.000 0.977 117 D CA 1.334 55.266 54.000 -0.113 0.000 0.871 117 D CB 0.063 40.818 40.800 -0.074 0.000 0.925 117 D HN 0.618 nan 8.370 nan 0.000 0.485 118 N N -0.095 118.456 118.700 -0.248 0.000 2.412 118 N HA 0.112 4.852 4.740 0.000 0.000 0.184 118 N C 0.659 175.798 175.510 -0.617 0.000 1.101 118 N CA -0.003 52.819 53.050 -0.380 0.000 0.881 118 N CB 0.406 38.735 38.487 -0.264 0.000 0.969 118 N HN 0.052 nan 8.380 nan 0.000 0.459 119 A N 0.313 122.841 122.820 -0.488 0.000 2.262 119 A HA 0.421 4.741 4.320 0.000 0.000 0.273 119 A C -0.734 176.483 177.584 -0.611 0.000 1.202 119 A CA -0.048 51.698 52.037 -0.486 0.000 0.811 119 A CB 0.208 19.073 19.000 -0.226 0.000 1.159 119 A HN 0.263 nan 8.150 nan 0.000 0.505 120 W N -2.887 118.335 121.300 -0.129 0.000 2.799 120 W HA 0.616 5.276 4.660 0.000 0.000 0.349 120 W C -1.281 175.148 176.519 -0.150 0.000 1.100 120 W CA -0.196 57.094 57.345 -0.092 0.000 1.174 120 W CB 1.140 30.551 29.460 -0.081 0.000 1.427 120 W HN 0.525 nan 8.180 nan 0.000 0.547 121 Y N 1.443 121.947 120.300 0.341 0.000 2.341 121 Y HA 0.456 5.006 4.550 0.000 0.000 0.338 121 Y C -0.865 175.183 175.900 0.247 0.000 0.965 121 Y CA -0.976 57.249 58.100 0.209 0.000 1.108 121 Y CB 1.423 39.966 38.460 0.138 0.000 1.180 121 Y HN 0.233 nan 8.280 nan 0.000 0.458 122 F N 6.096 126.153 119.950 0.178 0.000 2.676 122 F HA 0.562 5.089 4.527 0.000 0.000 0.371 122 F C -1.721 174.105 175.800 0.043 0.000 1.141 122 F CA -0.822 57.217 58.000 0.066 0.000 1.133 122 F CB 0.235 39.224 39.000 -0.019 0.000 1.376 122 F HN 0.225 nan 8.300 nan 0.000 0.491 123 I N 5.170 125.609 120.570 -0.219 0.000 2.465 123 I HA 0.263 4.433 4.170 0.000 0.000 0.291 123 I C 0.258 176.182 176.117 -0.322 0.000 1.014 123 I CA -0.957 60.236 61.300 -0.178 0.000 1.093 123 I CB 1.914 39.891 38.000 -0.038 0.000 1.267 123 I HN 0.491 nan 8.210 nan 0.000 0.431 124 K N 4.404 124.643 120.400 -0.268 0.000 3.071 124 K HA -0.271 4.049 4.320 0.000 0.000 0.262 124 K C 0.158 176.556 176.600 -0.337 0.000 0.977 124 K CA 0.988 57.120 56.287 -0.259 0.000 0.721 124 K CB -1.206 31.137 32.500 -0.261 0.000 1.293 124 K HN 0.846 nan 8.250 nan 0.000 0.475 125 N N -1.634 116.738 118.700 -0.548 0.000 2.778 125 N HA -0.221 4.519 4.740 0.000 0.000 0.249 125 N C -0.452 174.664 175.510 -0.656 0.000 1.069 125 N CA 1.273 53.898 53.050 -0.709 0.000 0.831 125 N CB -0.835 37.486 38.487 -0.276 0.000 1.142 125 N HN 0.398 nan 8.380 nan 0.000 0.573 126 I N 1.012 121.240 120.570 -0.570 0.000 2.304 126 I HA 0.172 4.342 4.170 0.000 0.000 0.291 126 I C 0.607 176.571 176.117 -0.255 0.000 1.018 126 I CA -0.371 60.742 61.300 -0.311 0.000 1.260 126 I CB 1.147 39.031 38.000 -0.193 0.000 1.390 126 I HN 0.101 nan 8.210 nan 0.000 0.475 127 R N 6.880 127.330 120.500 -0.084 0.000 2.265 127 R HA 0.457 4.797 4.340 0.000 0.000 0.328 127 R C -1.114 175.333 176.300 0.245 0.000 0.969 127 R CA -0.573 55.612 56.100 0.143 0.000 0.832 127 R CB 0.627 31.037 30.300 0.183 0.000 1.139 127 R HN 0.415 nan 8.270 nan 0.000 0.457 128 K N 2.988 123.616 120.400 0.379 0.000 2.477 128 K HA 0.355 4.675 4.320 0.000 0.000 0.255 128 K C -0.847 176.025 176.600 0.453 0.000 0.952 128 K CA -1.037 55.469 56.287 0.366 0.000 0.826 128 K CB 1.813 34.431 32.500 0.198 0.000 1.331 128 K HN 0.404 nan 8.250 nan 0.000 0.437 129 K N 1.137 121.664 120.400 0.212 0.000 2.295 129 K HA 0.114 4.434 4.320 0.000 0.000 0.270 129 K C 1.312 177.959 176.600 0.078 0.000 1.011 129 K CA -0.067 56.155 56.287 -0.108 0.000 0.953 129 K CB 0.953 33.307 32.500 -0.244 0.000 0.956 129 K HN 0.250 nan 8.250 nan 0.000 0.477 130 V N 2.369 122.273 119.914 -0.017 0.000 2.332 130 V HA -0.253 3.867 4.120 0.000 0.000 0.248 130 V C 2.236 178.403 176.094 0.121 0.000 1.055 130 V CA 2.483 64.861 62.300 0.130 0.000 1.038 130 V CB -0.721 31.044 31.823 -0.097 0.000 0.651 130 V HN 1.026 nan 8.190 nan 0.000 0.450 131 G N -0.635 108.164 108.800 -0.003 0.000 2.422 131 G HA2 -0.235 3.725 3.960 0.000 0.000 0.218 131 G HA3 -0.235 3.725 3.960 0.000 0.000 0.218 131 G C 1.440 176.354 174.900 0.023 0.000 1.146 131 G CA 0.910 46.010 45.100 -0.001 0.000 0.769 131 G HN 0.592 nan 8.290 nan 0.000 0.547 132 E N -0.068 120.150 120.200 0.029 0.000 2.051 132 E HA -0.082 4.268 4.350 0.000 0.000 0.192 132 E C 2.714 179.336 176.600 0.036 0.000 0.991 132 E CA 1.013 57.434 56.400 0.034 0.000 0.799 132 E CB -0.174 29.555 29.700 0.048 0.000 0.748 132 E HN 0.297 nan 8.360 nan 0.000 0.449 133 V N 1.684 121.632 119.914 0.057 0.000 2.490 133 V HA -0.250 3.870 4.120 0.000 0.000 0.250 133 V C 2.074 178.169 176.094 0.002 0.000 1.061 133 V CA 1.667 63.957 62.300 -0.017 0.000 1.064 133 V CB -0.401 31.312 31.823 -0.184 0.000 0.670 133 V HN 0.191 nan 8.190 nan 0.000 0.461 134 K N 0.050 120.484 120.400 0.056 0.000 2.097 134 K HA -0.173 4.147 4.320 0.000 0.000 0.206 134 K C 2.216 178.829 176.600 0.022 0.000 1.049 134 K CA 1.393 57.708 56.287 0.046 0.000 0.933 134 K CB -0.167 32.367 32.500 0.055 0.000 0.717 134 K HN 0.440 nan 8.250 nan 0.000 0.442 135 K N 0.050 120.461 120.400 0.019 0.000 2.167 135 K HA -0.071 4.249 4.320 0.000 0.000 0.203 135 K C 0.297 176.902 176.600 0.008 0.000 1.052 135 K CA 0.839 57.133 56.287 0.012 0.000 0.956 135 K CB 0.196 32.703 32.500 0.011 0.000 0.735 135 K HN -0.002 nan 8.250 nan 0.000 0.451 136 D N -0.332 120.071 120.400 0.004 0.000 2.405 136 D HA 0.172 4.812 4.640 0.000 0.000 0.264 136 D C -2.349 173.944 176.300 -0.013 0.000 1.240 136 D CA -2.310 51.690 54.000 -0.001 0.000 0.893 136 D CB 1.399 42.201 40.800 0.002 0.000 1.198 136 D HN -0.238 nan 8.370 nan 0.000 0.514 137 P HA -0.034 nan 4.420 nan 0.000 0.218 137 P C 1.426 178.724 177.300 -0.004 0.000 1.146 137 P CA 0.970 64.053 63.100 -0.028 0.000 0.813 137 P CB 0.313 32.003 31.700 -0.017 0.000 0.778 138 G N -0.775 108.029 108.800 0.006 0.000 2.559 138 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 138 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 138 G C 1.276 176.176 174.900 -0.001 0.000 1.126 138 G CA 0.143 45.252 45.100 0.016 0.000 0.778 138 G HN 0.167 nan 8.290 nan 0.000 0.543 139 L N 0.275 121.489 121.223 -0.015 0.000 2.187 139 L HA 0.069 4.409 4.340 0.000 0.000 0.213 139 L C 2.523 179.362 176.870 -0.052 0.000 1.100 139 L CA 1.111 55.935 54.840 -0.027 0.000 0.765 139 L CB -0.338 41.707 42.059 -0.022 0.000 0.904 139 L HN 0.233 nan 8.230 nan 0.000 0.437 140 L N -0.681 120.514 121.223 -0.047 0.000 2.612 140 L HA 0.004 4.345 4.340 0.000 0.000 0.230 140 L C 0.683 177.431 176.870 -0.203 0.000 1.140 140 L CA -0.036 54.748 54.840 -0.094 0.000 0.896 140 L CB -0.361 41.712 42.059 0.025 0.000 1.065 140 L HN 0.236 nan 8.230 nan 0.000 0.447 141 K N -0.391 119.947 120.400 -0.104 0.000 3.071 141 K HA -0.235 4.085 4.320 0.000 0.000 0.262 141 K C -0.786 175.719 176.600 -0.160 0.000 0.977 141 K CA 0.658 56.874 56.287 -0.119 0.000 0.721 141 K CB -2.043 30.369 32.500 -0.147 0.000 1.293 141 K HN 0.223 nan 8.250 nan 0.000 0.475 142 Y N 0.690 120.966 120.300 -0.040 0.000 2.335 142 Y HA 0.156 4.706 4.550 0.000 0.000 0.331 142 Y C -1.622 174.268 175.900 -0.017 0.000 1.094 142 Y CA -2.320 55.765 58.100 -0.025 0.000 1.253 142 Y CB 0.516 38.965 38.460 -0.018 0.000 1.203 142 Y HN -0.008 nan 8.280 nan 0.000 0.508 143 P HA 0.038 nan 4.420 nan 0.000 0.266 143 P C -0.846 176.498 177.300 0.073 0.000 1.419 143 P CA 0.005 63.144 63.100 0.064 0.000 1.112 143 P CB -0.196 31.527 31.700 0.038 0.000 1.438 144 V N 0.524 120.476 119.914 0.064 0.000 3.093 144 V HA 0.527 4.647 4.120 0.000 0.000 0.320 144 V C 0.289 176.398 176.094 0.025 0.000 1.093 144 V CA -1.229 61.098 62.300 0.045 0.000 1.016 144 V CB 1.713 33.562 31.823 0.044 0.000 1.096 144 V HN 0.117 nan 8.190 nan 0.000 0.452 145 K N 1.793 122.203 120.400 0.016 0.000 2.168 145 K HA 0.315 4.635 4.320 0.000 0.000 0.258 145 K C -1.863 174.742 176.600 0.008 0.000 1.010 145 K CA -1.177 55.115 56.287 0.008 0.000 0.929 145 K CB 0.649 33.150 32.500 0.001 0.000 0.998 145 K HN 0.444 nan 8.250 nan 0.000 0.479 146 P HA -0.225 nan 4.420 nan 0.000 0.216 146 P C 1.097 178.401 177.300 0.006 0.000 1.150 146 P CA 1.475 64.578 63.100 0.006 0.000 0.843 146 P CB 0.147 31.849 31.700 0.003 0.000 0.787 147 S N -1.010 114.692 115.700 0.004 0.000 2.481 147 S HA -0.099 4.371 4.470 0.000 0.000 0.231 147 S C 1.629 176.233 174.600 0.006 0.000 0.996 147 S CA 0.897 59.099 58.200 0.004 0.000 0.942 147 S CB -0.887 62.313 63.200 0.000 0.000 0.768 147 S HN 0.284 nan 8.310 nan 0.000 0.520 148 E N 1.353 121.557 120.200 0.007 0.000 2.415 148 E HA 0.364 4.714 4.350 0.000 0.000 0.197 148 E C 0.805 177.412 176.600 0.013 0.000 1.007 148 E CA 0.152 56.557 56.400 0.009 0.000 0.890 148 E CB 0.058 29.763 29.700 0.009 0.000 0.891 148 E HN 0.637 nan 8.360 nan 0.000 0.496 149 A N 0.861 123.689 122.820 0.013 0.000 2.561 149 A HA 0.308 4.628 4.320 0.000 0.000 0.234 149 A C 1.390 178.981 177.584 0.012 0.000 1.055 149 A CA 0.899 52.945 52.037 0.014 0.000 0.756 149 A CB -0.377 18.631 19.000 0.012 0.000 0.986 149 A HN 0.374 nan 8.150 nan 0.000 0.505 150 G N 1.269 110.076 108.800 0.012 0.000 2.184 150 G HA2 -0.245 3.715 3.960 0.000 0.000 0.264 150 G HA3 -0.245 3.715 3.960 0.000 0.000 0.264 150 G C 0.198 175.104 174.900 0.009 0.000 0.975 150 G CA 0.916 46.022 45.100 0.010 0.000 0.642 150 G HN 0.888 nan 8.290 nan 0.000 0.536 151 K N 1.106 121.512 120.400 0.010 0.000 2.138 151 K HA 0.585 4.905 4.320 0.000 0.000 0.263 151 K C 0.823 177.425 176.600 0.004 0.000 0.965 151 K CA 0.054 56.347 56.287 0.011 0.000 0.868 151 K CB 1.619 34.128 32.500 0.016 0.000 1.083 151 K HN 0.372 nan 8.250 nan 0.000 0.443 152 S N 1.006 116.710 115.700 0.007 0.000 2.608 152 S HA 0.184 4.654 4.470 0.000 0.000 0.261 152 S C 1.306 175.907 174.600 0.001 0.000 1.314 152 S CA -0.163 58.036 58.200 -0.001 0.000 0.992 152 S CB 1.339 64.546 63.200 0.012 0.000 0.935 152 S HN 0.682 nan 8.310 nan 0.000 0.564 153 A N 1.678 124.489 122.820 -0.015 0.000 1.908 153 A HA 0.101 4.421 4.320 0.000 0.000 0.218 153 A C 2.235 179.855 177.584 0.059 0.000 1.181 153 A CA 1.816 53.850 52.037 -0.005 0.000 0.627 153 A CB -1.898 17.084 19.000 -0.030 0.000 0.818 153 A HN 1.181 nan 8.150 nan 0.000 0.445 154 G N -1.174 107.651 108.800 0.043 0.000 2.440 154 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 154 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 154 G C 1.639 176.596 174.900 0.096 0.000 1.154 154 G CA 1.055 46.185 45.100 0.050 0.000 0.767 154 G HN 0.620 nan 8.290 nan 0.000 0.552 155 Q N -0.443 119.397 119.800 0.067 0.000 2.050 155 Q HA 0.022 4.362 4.340 0.000 0.000 0.202 155 Q C 2.732 178.786 176.000 0.091 0.000 0.980 155 Q CA 0.972 56.816 55.803 0.068 0.000 0.840 155 Q CB -0.241 28.522 28.738 0.041 0.000 0.898 155 Q HN 0.469 nan 8.270 nan 0.000 0.424 156 L N -0.662 120.611 121.223 0.084 0.000 2.042 156 L HA -0.244 4.096 4.340 0.000 0.000 0.210 156 L C 2.338 179.280 176.870 0.120 0.000 1.076 156 L CA 1.449 56.336 54.840 0.077 0.000 0.749 156 L CB -0.583 41.508 42.059 0.054 0.000 0.893 156 L HN 0.318 nan 8.230 nan 0.000 0.432 157 Y N 0.784 121.119 120.300 0.059 0.000 2.133 157 Y HA -0.306 4.244 4.550 0.000 0.000 0.287 157 Y C 2.754 178.725 175.900 0.118 0.000 1.134 157 Y CA 2.072 60.234 58.100 0.102 0.000 1.133 157 Y CB -0.064 38.455 38.460 0.098 0.000 0.987 157 Y HN 0.177 nan 8.280 nan 0.000 0.502 158 E N 0.160 120.564 120.200 0.341 0.000 2.058 158 E HA -0.282 4.068 4.350 0.000 0.000 0.194 158 E C 1.986 178.661 176.600 0.124 0.000 0.997 158 E CA 1.795 58.348 56.400 0.255 0.000 0.801 158 E CB -0.190 29.637 29.700 0.210 0.000 0.746 158 E HN 0.651 nan 8.360 nan 0.000 0.450 159 E N -0.044 120.210 120.200 0.090 0.000 2.153 159 E HA -0.158 4.192 4.350 0.000 0.000 0.194 159 E C 2.123 178.738 176.600 0.025 0.000 0.988 159 E CA 1.195 57.627 56.400 0.052 0.000 0.811 159 E CB -0.032 29.692 29.700 0.040 0.000 0.746 159 E HN 0.316 nan 8.360 nan 0.000 0.466 160 S N 0.365 116.064 115.700 -0.001 0.000 2.474 160 S HA -0.091 4.379 4.470 0.000 0.000 0.235 160 S C 1.689 176.333 174.600 0.073 0.000 0.997 160 S CA 0.463 58.651 58.200 -0.019 0.000 0.949 160 S CB -0.045 63.112 63.200 -0.071 0.000 0.766 160 S HN 0.076 nan 8.310 nan 0.000 0.517 161 L N 2.197 123.449 121.223 0.047 0.000 2.622 161 L HA 0.287 4.627 4.340 0.000 0.000 0.233 161 L C 2.446 179.350 176.870 0.057 0.000 1.156 161 L CA 0.517 55.391 54.840 0.057 0.000 0.866 161 L CB -1.546 40.528 42.059 0.025 0.000 0.980 161 L HN 0.459 nan 8.230 nan 0.000 0.448 162 G N -0.101 108.730 108.800 0.053 0.000 2.574 162 G HA2 -0.419 3.541 3.960 0.000 0.000 0.220 162 G HA3 -0.419 3.541 3.960 0.000 0.000 0.220 162 G C 1.779 176.706 174.900 0.045 0.000 1.173 162 G CA 1.216 46.340 45.100 0.039 0.000 0.772 162 G HN 0.327 nan 8.290 nan 0.000 0.585 163 K N 0.275 120.716 120.400 0.068 0.000 2.063 163 K HA -0.034 4.286 4.320 0.000 0.000 0.208 163 K C 2.535 179.190 176.600 0.092 0.000 1.048 163 K CA 1.531 57.872 56.287 0.091 0.000 0.928 163 K CB -0.708 31.852 32.500 0.100 0.000 0.713 163 K HN 0.214 nan 8.250 nan 0.000 0.442 164 V N -0.027 119.880 119.914 -0.012 0.000 2.358 164 V HA -0.204 3.916 4.120 0.000 0.000 0.246 164 V C 2.298 178.374 176.094 -0.030 0.000 1.047 164 V CA 1.683 63.877 62.300 -0.176 0.000 1.035 164 V CB -0.365 31.186 31.823 -0.453 0.000 0.658 164 V HN 0.145 nan 8.190 nan 0.000 0.452 165 V N 0.054 119.956 119.914 -0.019 0.000 2.343 165 V HA -0.281 3.839 4.120 0.000 0.000 0.247 165 V C 2.518 178.624 176.094 0.020 0.000 1.051 165 V CA 2.307 64.604 62.300 -0.005 0.000 1.036 165 V CB -0.574 31.250 31.823 0.002 0.000 0.654 165 V HN 0.670 nan 8.190 nan 0.000 0.451 166 E N -0.070 120.153 120.200 0.039 0.000 2.051 166 E HA -0.241 4.109 4.350 0.000 0.000 0.192 166 E C 2.234 178.875 176.600 0.069 0.000 0.991 166 E CA 1.266 57.694 56.400 0.047 0.000 0.799 166 E CB -0.022 29.709 29.700 0.052 0.000 0.748 166 E HN 0.567 nan 8.360 nan 0.000 0.449 167 E N 0.737 121.008 120.200 0.119 0.000 2.077 167 E HA -0.192 4.158 4.350 0.000 0.000 0.193 167 E C 2.218 178.904 176.600 0.143 0.000 0.989 167 E CA 0.600 57.107 56.400 0.179 0.000 0.800 167 E CB -0.358 29.544 29.700 0.337 0.000 0.746 167 E HN 0.254 nan 8.360 nan 0.000 0.452 168 L N 1.796 123.081 121.223 0.103 0.000 1.989 168 L HA -0.185 4.155 4.340 0.000 0.000 0.211 168 L C 1.984 178.866 176.870 0.019 0.000 1.071 168 L CA 1.948 56.820 54.840 0.054 0.000 0.749 168 L CB -0.358 41.699 42.059 -0.003 0.000 0.890 168 L HN -0.076 nan 8.230 nan 0.000 0.431 169 K N -0.874 119.532 120.400 0.010 0.000 2.152 169 K HA -0.194 4.126 4.320 0.000 0.000 0.206 169 K C 2.314 178.909 176.600 -0.010 0.000 1.048 169 K CA 1.512 57.797 56.287 -0.005 0.000 0.933 169 K CB -0.205 32.294 32.500 -0.002 0.000 0.721 169 K HN 0.295 nan 8.250 nan 0.000 0.447 170 R N 0.391 120.890 120.500 -0.002 0.000 2.153 170 R HA -0.070 4.270 4.340 0.000 0.000 0.218 170 R C 1.659 177.916 176.300 -0.071 0.000 1.072 170 R CA 1.603 57.687 56.100 -0.026 0.000 0.990 170 R CB 0.237 30.531 30.300 -0.009 0.000 0.889 170 R HN 0.377 nan 8.270 nan 0.000 0.452 171 T N -2.753 111.765 114.554 -0.060 0.000 1.832 171 T HA 0.268 4.618 4.350 0.000 0.000 0.171 171 T C -0.528 174.150 174.700 -0.037 0.000 0.718 171 T CA -0.281 61.750 62.100 -0.115 0.000 0.980 171 T CB 0.207 68.915 68.868 -0.266 0.000 3.173 171 T HN 0.280 nan 8.240 nan 0.000 0.399 172 N N -1.689 117.028 118.700 0.028 0.000 3.116 172 N HA 0.379 5.120 4.740 0.000 0.000 0.244 172 N C 0.395 175.932 175.510 0.045 0.000 1.485 172 N CA -0.368 52.696 53.050 0.022 0.000 0.884 172 N CB 0.541 39.034 38.487 0.010 0.000 1.415 172 N HN 0.466 nan 8.380 nan 0.000 0.524 173 c N -0.188 118.398 118.600 -0.023 0.000 2.413 173 c HA -0.134 4.436 4.570 0.000 0.000 0.276 173 c C 2.855 176.919 174.090 -0.044 0.000 1.236 173 c CA 1.866 58.147 56.329 -0.081 0.000 1.735 173 c CB -1.561 40.858 42.510 -0.151 0.000 2.031 173 c HN 0.886 nan 8.230 nan 0.000 0.474 174 S N -0.191 115.506 115.700 -0.005 0.000 2.383 174 S HA -0.278 4.192 4.470 0.000 0.000 0.229 174 S C 1.745 176.372 174.600 0.045 0.000 1.030 174 S CA 1.858 60.066 58.200 0.013 0.000 1.002 174 S CB -0.966 62.254 63.200 0.033 0.000 0.829 174 S HN 0.699 nan 8.310 nan 0.000 0.467 175 Y N 3.415 123.701 120.300 -0.023 0.000 2.163 175 Y HA -0.023 4.527 4.550 0.000 0.000 0.288 175 Y C 2.131 178.027 175.900 -0.006 0.000 1.136 175 Y CA 1.640 59.733 58.100 -0.012 0.000 1.147 175 Y CB -0.435 38.021 38.460 -0.007 0.000 0.987 175 Y HN 0.440 nan 8.280 nan 0.000 0.509 176 I N -2.269 118.334 120.570 0.055 0.000 2.439 176 I HA -0.155 4.016 4.170 0.000 0.000 0.251 176 I C 1.944 178.083 176.117 0.036 0.000 1.139 176 I CA 1.255 62.599 61.300 0.073 0.000 1.438 176 I CB -0.680 37.453 38.000 0.222 0.000 1.085 176 I HN 0.166 nan 8.210 nan 0.000 0.427 177 L N 1.108 122.304 121.223 -0.044 0.000 2.083 177 L HA -0.166 4.174 4.340 0.000 0.000 0.209 177 L C 2.318 179.144 176.870 -0.074 0.000 1.083 177 L CA 1.650 56.445 54.840 -0.075 0.000 0.752 177 L CB -0.791 41.195 42.059 -0.122 0.000 0.899 177 L HN 0.330 nan 8.230 nan 0.000 0.433 178 N N -0.047 118.586 118.700 -0.112 0.000 2.171 178 N HA -0.174 4.566 4.740 0.000 0.000 0.184 178 N C 1.761 177.139 175.510 -0.219 0.000 1.021 178 N CA 1.008 53.981 53.050 -0.127 0.000 0.854 178 N CB 0.016 38.427 38.487 -0.127 0.000 0.994 178 N HN 0.160 nan 8.380 nan 0.000 0.426 179 K N -0.493 119.678 120.400 -0.382 0.000 2.026 179 K HA -0.128 4.192 4.320 0.000 0.000 0.208 179 K C 1.053 177.427 176.600 -0.378 0.000 1.048 179 K CA 1.295 57.284 56.287 -0.497 0.000 0.929 179 K CB -0.211 31.801 32.500 -0.813 0.000 0.713 179 K HN 0.288 nan 8.250 nan 0.000 0.439 180 Y N 0.324 120.634 120.300 0.017 0.000 2.578 180 Y HA -0.044 4.506 4.550 0.000 0.000 0.297 180 Y C 1.441 177.450 175.900 0.182 0.000 1.176 180 Y CA 0.548 58.736 58.100 0.147 0.000 1.315 180 Y CB 0.116 38.626 38.460 0.084 0.000 1.031 180 Y HN 0.287 nan 8.280 nan 0.000 0.524 181 D N -0.468 119.997 120.400 0.109 0.000 2.347 181 D HA -0.103 4.537 4.640 0.000 0.000 0.213 181 D C 1.930 178.159 176.300 -0.118 0.000 0.985 181 D CA 1.288 55.347 54.000 0.099 0.000 0.879 181 D CB 0.023 40.882 40.800 0.098 0.000 0.919 181 D HN 0.264 nan 8.370 nan 0.000 0.526 182 T N -2.839 111.557 114.554 -0.265 0.000 3.129 182 T HA 0.074 4.424 4.350 0.000 0.000 0.251 182 T C 0.256 174.802 174.700 -0.255 0.000 1.117 182 T CA -0.090 61.586 62.100 -0.707 0.000 1.034 182 T CB -0.378 68.096 68.868 -0.656 0.000 0.968 182 T HN -0.060 nan 8.240 nan 0.000 0.526 183 Y N 2.141 122.432 120.300 -0.015 0.000 2.487 183 Y HA 0.588 5.138 4.550 0.000 0.000 0.337 183 Y C 0.766 176.783 175.900 0.196 0.000 1.076 183 Y CA -1.319 56.852 58.100 0.118 0.000 1.115 183 Y CB 1.827 40.412 38.460 0.208 0.000 1.235 183 Y HN 0.184 nan 8.280 nan 0.000 0.468 184 S N -0.890 115.015 115.700 0.341 0.000 2.672 184 S HA 0.252 4.722 4.470 0.000 0.000 0.276 184 S C 0.733 175.522 174.600 0.315 0.000 1.207 184 S CA -0.399 57.993 58.200 0.321 0.000 1.002 184 S CB 1.420 64.777 63.200 0.262 0.000 0.998 184 S HN 0.699 nan 8.310 nan 0.000 0.542 185 T N 1.442 116.217 114.554 0.369 0.000 2.652 185 T HA -0.146 4.204 4.350 0.000 0.000 0.267 185 T C 1.712 176.473 174.700 0.102 0.000 1.039 185 T CA 1.874 64.200 62.100 0.376 0.000 1.153 185 T CB -0.478 68.752 68.868 0.604 0.000 0.863 185 T HN 0.770 nan 8.240 nan 0.000 0.428 186 K N 0.912 121.300 120.400 -0.020 0.000 2.057 186 K HA -0.163 4.157 4.320 0.000 0.000 0.207 186 K C 2.381 178.868 176.600 -0.189 0.000 1.049 186 K CA 1.607 57.644 56.287 -0.417 0.000 0.931 186 K CB -0.106 32.053 32.500 -0.568 0.000 0.714 186 K HN 0.444 nan 8.250 nan 0.000 0.440 187 E N -0.513 119.670 120.200 -0.027 0.000 2.085 187 E HA -0.262 4.088 4.350 0.000 0.000 0.194 187 E C 1.920 178.540 176.600 0.034 0.000 0.994 187 E CA 1.360 57.785 56.400 0.042 0.000 0.801 187 E CB -0.262 29.526 29.700 0.146 0.000 0.743 187 E HN 0.463 nan 8.360 nan 0.000 0.453 188 Y N 1.217 121.430 120.300 -0.145 0.000 2.114 188 Y HA -0.198 4.352 4.550 0.000 0.000 0.284 188 Y C 2.023 177.681 175.900 -0.404 0.000 1.143 188 Y CA 1.788 59.626 58.100 -0.437 0.000 1.135 188 Y CB -0.367 37.382 38.460 -1.186 0.000 0.980 188 Y HN 0.014 nan 8.280 nan 0.000 0.499 189 L N -0.228 120.765 121.223 -0.382 0.000 2.043 189 L HA -0.285 4.055 4.340 0.000 0.000 0.212 189 L C 2.391 179.066 176.870 -0.324 0.000 1.075 189 L CA 1.801 56.444 54.840 -0.328 0.000 0.752 189 L CB -0.594 41.375 42.059 -0.151 0.000 0.891 189 L HN 0.351 nan 8.230 nan 0.000 0.432 190 I N -0.769 119.647 120.570 -0.257 0.000 2.296 190 I HA -0.204 3.966 4.170 0.000 0.000 0.242 190 I C 2.509 178.515 176.117 -0.186 0.000 1.087 190 I CA 1.083 62.272 61.300 -0.185 0.000 1.393 190 I CB -0.183 37.739 38.000 -0.131 0.000 1.093 190 I HN 0.130 nan 8.210 nan 0.000 0.421 191 K N 0.352 120.648 120.400 -0.173 0.000 2.057 191 K HA -0.112 4.208 4.320 0.000 0.000 0.206 191 K C 1.885 178.363 176.600 -0.202 0.000 1.050 191 K CA 1.070 57.286 56.287 -0.117 0.000 0.935 191 K CB 0.091 32.604 32.500 0.021 0.000 0.715 191 K HN 0.230 nan 8.250 nan 0.000 0.439 192 E N -0.743 119.184 120.200 -0.455 0.000 2.244 192 E HA 0.027 4.377 4.350 0.000 0.000 0.196 192 E C 2.049 178.309 176.600 -0.566 0.000 0.939 192 E CA 0.605 56.674 56.400 -0.552 0.000 0.884 192 E CB 0.049 29.239 29.700 -0.850 0.000 0.850 192 E HN 0.337 nan 8.360 nan 0.000 0.481 193 G N 1.116 109.481 108.800 -0.725 0.000 2.511 193 G HA2 -0.163 3.797 3.960 0.000 0.000 0.217 193 G HA3 -0.163 3.797 3.960 0.000 0.000 0.217 193 G C 0.041 174.803 174.900 -0.230 0.000 1.133 193 G CA 0.498 45.350 45.100 -0.414 0.000 0.792 193 G HN 0.066 nan 8.290 nan 0.000 0.539 194 D N -0.961 119.307 120.400 -0.220 0.000 2.983 194 D HA -0.139 4.501 4.640 0.000 0.000 0.225 194 D C 0.608 176.849 176.300 -0.098 0.000 1.174 194 D CA 0.444 54.364 54.000 -0.132 0.000 0.831 194 D CB -1.478 39.264 40.800 -0.098 0.000 1.104 194 D HN 0.326 nan 8.370 nan 0.000 0.421 195 L N 0.401 121.558 121.223 -0.109 0.000 2.467 195 L HA 0.158 4.498 4.340 0.000 0.000 0.270 195 L C 1.450 178.290 176.870 -0.050 0.000 1.205 195 L CA -0.102 54.697 54.840 -0.067 0.000 0.828 195 L CB 0.594 42.617 42.059 -0.059 0.000 1.101 195 L HN 0.103 nan 8.230 nan 0.000 0.479 196 S N 1.522 117.207 115.700 -0.024 0.000 2.593 196 S HA 0.197 4.667 4.470 0.000 0.000 0.269 196 S C -1.888 172.711 174.600 -0.001 0.000 1.334 196 S CA -1.110 57.083 58.200 -0.010 0.000 1.015 196 S CB 1.021 64.224 63.200 0.005 0.000 0.912 196 S HN 0.411 nan 8.310 nan 0.000 0.541 197 P HA 0.002 nan 4.420 nan 0.000 0.216 197 P C 1.678 179.014 177.300 0.060 0.000 1.150 197 P CA 1.589 64.702 63.100 0.021 0.000 0.837 197 P CB -0.421 31.293 31.700 0.023 0.000 0.786 198 G N -0.011 108.832 108.800 0.073 0.000 2.402 198 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 198 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 198 G C 1.639 176.596 174.900 0.094 0.000 1.162 198 G CA 0.861 46.042 45.100 0.135 0.000 0.777 198 G HN 0.308 nan 8.290 nan 0.000 0.539 199 A N 0.143 122.985 122.820 0.036 0.000 1.902 199 A HA 0.092 4.412 4.320 0.000 0.000 0.217 199 A C 2.582 180.168 177.584 0.004 0.000 1.181 199 A CA 1.761 53.794 52.037 -0.007 0.000 0.623 199 A CB -0.573 18.428 19.000 0.002 0.000 0.818 199 A HN 0.250 nan 8.150 nan 0.000 0.443 200 V N 0.530 120.467 119.914 0.038 0.000 2.427 200 V HA -0.221 3.899 4.120 0.000 0.000 0.248 200 V C 2.116 178.320 176.094 0.184 0.000 1.051 200 V CA 2.239 64.594 62.300 0.091 0.000 1.048 200 V CB -0.765 31.051 31.823 -0.013 0.000 0.666 200 V HN 0.475 nan 8.190 nan 0.000 0.456 201 D N -0.624 119.857 120.400 0.136 0.000 2.144 201 D HA -0.175 4.465 4.640 0.000 0.000 0.199 201 D C 2.049 178.352 176.300 0.005 0.000 0.984 201 D CA 1.334 55.446 54.000 0.186 0.000 0.834 201 D CB -0.212 40.761 40.800 0.288 0.000 0.955 201 D HN 0.351 nan 8.370 nan 0.000 0.465 202 M N 0.044 119.418 119.600 -0.376 0.000 2.099 202 M HA -0.126 4.354 4.480 0.000 0.000 0.262 202 M C 2.042 178.166 176.300 -0.295 0.000 1.067 202 M CA 1.222 55.987 55.300 -0.891 0.000 1.124 202 M CB -0.010 31.998 32.600 -0.986 0.000 1.353 202 M HN -0.058 nan 8.290 nan 0.000 0.410 203 I N -0.095 120.430 120.570 -0.075 0.000 2.226 203 I HA -0.219 3.951 4.170 0.000 0.000 0.245 203 I C 2.516 178.653 176.117 0.033 0.000 1.100 203 I CA 1.441 62.777 61.300 0.061 0.000 1.374 203 I CB -0.989 37.154 38.000 0.239 0.000 1.057 203 I HN 0.454 nan 8.210 nan 0.000 0.413 204 G N 0.457 109.295 108.800 0.064 0.000 2.421 204 G HA2 -0.248 3.712 3.960 0.000 0.000 0.216 204 G HA3 -0.248 3.712 3.960 0.000 0.000 0.216 204 G C 1.233 176.100 174.900 -0.056 0.000 1.171 204 G CA 1.042 46.047 45.100 -0.159 0.000 0.775 204 G HN 0.277 nan 8.290 nan 0.000 0.543 205 D N 0.488 120.907 120.400 0.032 0.000 2.084 205 D HA -0.050 4.590 4.640 0.000 0.000 0.196 205 D C 2.667 179.047 176.300 0.133 0.000 0.985 205 D CA 0.706 54.755 54.000 0.083 0.000 0.826 205 D CB -0.337 40.560 40.800 0.162 0.000 0.978 205 D HN 0.325 nan 8.370 nan 0.000 0.456 206 L N -0.242 121.047 121.223 0.111 0.000 2.270 206 L HA 0.086 4.426 4.340 0.000 0.000 0.210 206 L C 1.834 178.824 176.870 0.201 0.000 1.104 206 L CA 0.431 55.398 54.840 0.211 0.000 0.804 206 L CB -0.081 42.068 42.059 0.150 0.000 0.937 206 L HN -0.025 nan 8.230 nan 0.000 0.450 207 L N -0.385 120.875 121.223 0.063 0.000 2.700 207 L HA 0.144 4.484 4.340 0.000 0.000 0.234 207 L C 0.414 177.187 176.870 -0.160 0.000 1.156 207 L CA 0.016 54.822 54.840 -0.058 0.000 0.946 207 L CB -0.486 41.505 42.059 -0.113 0.000 1.216 207 L HN 0.430 nan 8.230 nan 0.000 0.493 208 N N 0.915 119.596 118.700 -0.032 0.000 2.754 208 N HA -0.191 4.549 4.740 0.000 0.000 0.248 208 N C 0.831 176.201 175.510 -0.233 0.000 1.093 208 N CA 0.235 53.213 53.050 -0.120 0.000 0.699 208 N CB -0.012 38.173 38.487 -0.503 0.000 1.016 208 N HN 0.345 nan 8.380 nan 0.000 0.552 209 E N -0.161 119.874 120.200 -0.275 0.000 2.415 209 E HA -0.041 4.309 4.350 0.000 0.000 0.197 209 E C 1.090 177.230 176.600 -0.767 0.000 1.007 209 E CA 0.253 56.388 56.400 -0.442 0.000 0.890 209 E CB 0.007 29.471 29.700 -0.395 0.000 0.891 209 E HN 0.524 nan 8.360 nan 0.000 0.496 210 D N 0.901 120.951 120.400 -0.584 0.000 2.106 210 D HA -0.143 4.497 4.640 0.000 0.000 0.191 210 D C 1.611 177.795 176.300 -0.193 0.000 0.997 210 D CA 1.713 55.455 54.000 -0.430 0.000 0.834 210 D CB 0.188 40.925 40.800 -0.104 0.000 0.956 210 D HN -0.096 nan 8.370 nan 0.000 0.448 211 S N -1.303 114.324 115.700 -0.122 0.000 2.515 211 S HA 0.084 4.554 4.470 0.000 0.000 0.231 211 S C 1.513 176.017 174.600 -0.161 0.000 0.987 211 S CA 0.728 58.907 58.200 -0.036 0.000 0.936 211 S CB 0.511 63.714 63.200 0.005 0.000 0.766 211 S HN 0.430 nan 8.310 nan 0.000 0.528 212 G N -1.027 107.632 108.800 -0.235 0.000 3.651 212 G HA2 0.157 4.117 3.960 0.000 0.000 0.279 212 G HA3 0.157 4.117 3.960 0.000 0.000 0.279 212 G C 0.418 175.234 174.900 -0.140 0.000 1.024 212 G CA -0.249 44.690 45.100 -0.269 0.000 0.813 212 G HN 0.334 nan 8.290 nan 0.000 0.518 213 Y N 0.801 121.029 120.300 -0.121 0.000 2.497 213 Y HA -0.064 4.486 4.550 0.000 0.000 0.292 213 Y C 2.045 178.001 175.900 0.093 0.000 1.137 213 Y CA -0.089 58.033 58.100 0.036 0.000 1.285 213 Y CB -0.147 38.377 38.460 0.106 0.000 0.991 213 Y HN 0.610 nan 8.280 nan 0.000 0.556 214 Y N -1.841 118.634 120.300 0.291 0.000 2.458 214 Y HA 0.410 4.960 4.550 0.000 0.000 0.256 214 Y C 0.682 176.698 175.900 0.192 0.000 1.159 214 Y CA -1.133 57.088 58.100 0.202 0.000 1.261 214 Y CB -1.212 37.333 38.460 0.141 0.000 1.119 214 Y HN -0.166 nan 8.280 nan 0.000 0.524 215 V N -1.211 118.750 119.914 0.078 0.000 3.295 215 V HA 0.408 4.528 4.120 0.000 0.000 0.308 215 V C 0.764 177.039 176.094 0.303 0.000 1.068 215 V CA -0.873 61.546 62.300 0.197 0.000 1.062 215 V CB 1.125 33.028 31.823 0.133 0.000 1.162 215 V HN 0.264 nan 8.190 nan 0.000 0.456 216 S N 0.507 116.422 115.700 0.358 0.000 2.563 216 S HA 0.022 4.492 4.470 0.000 0.000 0.294 216 S C 0.521 175.374 174.600 0.422 0.000 1.279 216 S CA -0.077 58.372 58.200 0.415 0.000 1.069 216 S CB -0.593 62.939 63.200 0.553 0.000 0.828 216 S HN 0.866 nan 8.310 nan 0.000 0.497 217 F N 6.217 126.311 119.950 0.240 0.000 2.307 217 F HA -0.070 4.457 4.527 0.000 0.000 0.301 217 F C 1.529 177.388 175.800 0.098 0.000 1.076 217 F CA 1.005 59.106 58.000 0.168 0.000 1.383 217 F CB -0.290 38.787 39.000 0.129 0.000 1.055 217 F HN 0.651 nan 8.300 nan 0.000 0.526 218 I N 0.251 120.845 120.570 0.040 0.000 2.286 218 I HA -0.226 3.944 4.170 0.000 0.000 0.248 218 I C 2.290 178.284 176.117 -0.205 0.000 1.115 218 I CA 1.115 62.286 61.300 -0.214 0.000 1.392 218 I CB -1.284 36.461 38.000 -0.425 0.000 1.065 218 I HN 0.159 nan 8.210 nan 0.000 0.418 219 E N 0.267 120.527 120.200 0.099 0.000 2.077 219 E HA -0.186 4.164 4.350 0.000 0.000 0.193 219 E C 2.327 178.928 176.600 0.002 0.000 0.989 219 E CA 1.376 57.839 56.400 0.105 0.000 0.800 219 E CB -0.261 29.615 29.700 0.294 0.000 0.746 219 E HN 0.351 nan 8.360 nan 0.000 0.452 220 S N 0.470 116.194 115.700 0.039 0.000 2.368 220 S HA -0.095 4.375 4.470 0.000 0.000 0.225 220 S C 2.136 176.652 174.600 -0.140 0.000 1.030 220 S CA 0.744 58.977 58.200 0.055 0.000 0.999 220 S CB -0.159 63.209 63.200 0.280 0.000 0.844 220 S HN 0.150 nan 8.310 nan 0.000 0.459 221 L N 0.764 121.712 121.223 -0.459 0.000 2.017 221 L HA -0.103 4.237 4.340 0.000 0.000 0.208 221 L C 2.704 179.064 176.870 -0.851 0.000 1.073 221 L CA 1.474 55.963 54.840 -0.585 0.000 0.745 221 L CB -0.484 41.195 42.059 -0.635 0.000 0.894 221 L HN 0.284 nan 8.230 nan 0.000 0.432 222 K N -1.004 118.841 120.400 -0.925 0.000 2.057 222 K HA -0.172 4.148 4.320 0.000 0.000 0.207 222 K C 2.141 178.454 176.600 -0.480 0.000 1.049 222 K CA 1.149 56.869 56.287 -0.945 0.000 0.931 222 K CB -0.188 31.918 32.500 -0.657 0.000 0.714 222 K HN 0.361 nan 8.250 nan 0.000 0.440 223 H N 0.213 119.190 119.070 -0.155 0.000 2.428 223 H HA -0.083 4.473 4.556 0.000 0.000 0.296 223 H C 1.719 177.070 175.328 0.038 0.000 1.062 223 H CA 1.393 57.474 56.048 0.055 0.000 1.350 223 H CB -0.115 29.646 29.762 -0.002 0.000 1.403 223 H HN 0.351 nan 8.280 nan 0.000 0.533 224 D N 0.709 121.113 120.400 0.007 0.000 2.117 224 D HA -0.158 4.482 4.640 0.000 0.000 0.198 224 D C 1.884 178.282 176.300 0.164 0.000 0.982 224 D CA 1.267 55.276 54.000 0.016 0.000 0.828 224 D CB -0.078 40.734 40.800 0.021 0.000 0.967 224 D HN 0.200 nan 8.370 nan 0.000 0.464 225 D N -0.853 119.543 120.400 -0.007 0.000 2.190 225 D HA -0.156 4.484 4.640 0.000 0.000 0.200 225 D C 1.912 178.280 176.300 0.114 0.000 0.992 225 D CA 1.194 55.204 54.000 0.017 0.000 0.854 225 D CB -0.053 40.598 40.800 -0.247 0.000 0.936 225 D HN 0.407 nan 8.370 nan 0.000 0.462 226 I N -1.211 119.409 120.570 0.084 0.000 2.364 226 I HA -0.093 4.077 4.170 0.000 0.000 0.241 226 I C 1.624 177.831 176.117 0.149 0.000 1.082 226 I CA 0.252 61.553 61.300 0.001 0.000 1.401 226 I CB -0.244 37.657 38.000 -0.164 0.000 1.126 226 I HN -0.048 nan 8.210 nan 0.000 0.429 227 F N 1.241 121.275 119.950 0.140 0.000 2.234 227 F HA -0.108 4.420 4.527 0.000 0.000 0.299 227 F C 2.506 178.314 175.800 0.012 0.000 1.087 227 F CA 1.295 59.372 58.000 0.128 0.000 1.340 227 F CB -0.633 38.390 39.000 0.037 0.000 1.031 227 F HN 0.005 nan 8.300 nan 0.000 0.500 228 A N -2.061 120.818 122.820 0.098 0.000 2.123 228 A HA -0.027 4.294 4.320 0.000 0.000 0.214 228 A C 1.149 178.389 177.584 -0.573 0.000 1.152 228 A CA 0.913 52.791 52.037 -0.264 0.000 0.728 228 A CB -0.684 18.072 19.000 -0.406 0.000 0.814 228 A HN 0.455 nan 8.150 nan 0.000 0.464 229 Y N -1.200 119.124 120.300 0.039 0.000 2.471 229 Y HA 0.299 4.849 4.550 0.000 0.000 0.249 229 Y C 0.512 176.390 175.900 -0.036 0.000 1.116 229 Y CA -0.526 57.576 58.100 0.003 0.000 1.240 229 Y CB 0.456 38.909 38.460 -0.013 0.000 1.251 229 Y HN 0.231 nan 8.280 nan 0.000 0.527 230 E N 1.644 121.872 120.200 0.047 0.000 2.194 230 E HA 0.199 4.549 4.350 0.000 0.000 0.284 230 E C 0.278 176.893 176.600 0.024 0.000 1.035 230 E CA 0.047 56.392 56.400 -0.091 0.000 0.836 230 E CB 0.790 30.247 29.700 -0.405 0.000 1.070 230 E HN 0.182 nan 8.360 nan 0.000 0.401 231 K N 3.012 123.406 120.400 -0.010 0.000 2.379 231 K HA 0.119 4.439 4.320 0.000 0.000 0.194 231 K C 0.244 176.892 176.600 0.081 0.000 1.031 231 K CA 0.059 56.376 56.287 0.050 0.000 1.037 231 K CB 0.393 32.907 32.500 0.023 0.000 0.824 231 K HN 0.129 nan 8.250 nan 0.000 0.516 232 R N 0.513 121.006 120.500 -0.011 0.000 2.532 232 R HA 0.341 4.681 4.340 0.000 0.000 0.297 232 R C -1.789 174.437 176.300 -0.123 0.000 0.984 232 R CA -0.447 55.665 56.100 0.020 0.000 0.884 232 R CB 0.486 30.770 30.300 -0.027 0.000 1.182 232 R HN -0.230 nan 8.270 nan 0.000 0.442 233 F N 1.626 121.575 119.950 -0.002 0.000 2.577 233 F HA 0.565 5.092 4.527 0.000 0.000 0.318 233 F C -0.131 175.730 175.800 0.103 0.000 1.065 233 F CA -0.437 57.565 58.000 0.003 0.000 0.929 233 F CB 2.419 41.426 39.000 0.012 0.000 1.237 233 F HN 0.380 nan 8.300 nan 0.000 0.468 234 D N 0.509 121.060 120.400 0.250 0.000 2.581 234 D HA 0.286 4.926 4.640 0.000 0.000 0.232 234 D C -1.242 175.197 176.300 0.232 0.000 1.143 234 D CA -0.522 53.620 54.000 0.237 0.000 0.881 234 D CB 2.899 43.780 40.800 0.135 0.000 1.500 234 D HN 0.669 nan 8.370 nan 0.000 0.458 235 E N 0.290 120.649 120.200 0.265 0.000 2.263 235 E HA 0.580 4.930 4.350 0.000 0.000 0.264 235 E C -0.540 176.160 176.600 0.167 0.000 0.923 235 E CA -0.829 55.714 56.400 0.238 0.000 0.802 235 E CB 1.911 31.835 29.700 0.374 0.000 1.228 235 E HN 0.290 nan 8.360 nan 0.000 0.417 236 I N 2.225 122.866 120.570 0.119 0.000 2.416 236 I HA 0.070 4.240 4.170 0.000 0.000 0.288 236 I C -0.018 176.126 176.117 0.044 0.000 1.051 236 I CA -0.941 60.403 61.300 0.074 0.000 1.375 236 I CB 1.298 39.325 38.000 0.045 0.000 1.407 236 I HN 0.386 nan 8.210 nan 0.000 0.516 237 V N 6.953 126.898 119.914 0.052 0.000 2.617 237 V HA -0.093 4.027 4.120 0.000 0.000 0.304 237 V C 0.630 176.713 176.094 -0.018 0.000 1.040 237 V CA 0.727 63.053 62.300 0.044 0.000 1.149 237 V CB 0.149 32.010 31.823 0.064 0.000 0.914 237 V HN 0.931 nan 8.190 nan 0.000 0.487 238 D N 2.161 122.548 120.400 -0.023 0.000 3.077 238 D HA -0.129 4.511 4.640 0.000 0.000 0.212 238 D C 0.448 176.346 176.300 -0.669 0.000 1.125 238 D CA 1.693 55.603 54.000 -0.149 0.000 0.970 238 D CB -1.327 39.450 40.800 -0.037 0.000 1.110 238 D HN 1.620 nan 8.370 nan 0.000 0.419 239 G N -0.656 107.683 108.800 -0.769 0.000 2.841 239 G HA2 -0.008 3.952 3.960 0.000 0.000 0.684 239 G HA3 -0.008 3.952 3.960 0.000 0.000 0.684 239 G C 0.682 175.434 174.900 -0.246 0.000 1.273 239 G CA -0.024 44.641 45.100 -0.725 0.000 0.811 239 G HN -0.050 nan 8.290 nan 0.000 0.631 240 M N 1.426 120.960 119.600 -0.111 0.000 2.279 240 M HA -0.039 4.441 4.480 0.000 0.000 0.264 240 M C 2.236 178.517 176.300 -0.032 0.000 1.062 240 M CA 2.135 57.422 55.300 -0.022 0.000 1.099 240 M CB -0.926 31.692 32.600 0.029 0.000 1.394 240 M HN 0.835 nan 8.290 nan 0.000 0.426 241 D N -0.215 120.151 120.400 -0.058 0.000 2.378 241 D HA -0.132 4.508 4.640 0.000 0.000 0.227 241 D C 1.442 177.705 176.300 -0.062 0.000 1.012 241 D CA 0.669 54.640 54.000 -0.049 0.000 0.905 241 D CB -0.321 40.448 40.800 -0.051 0.000 0.895 241 D HN 0.138 nan 8.370 nan 0.000 0.532 242 K N 0.008 120.364 120.400 -0.074 0.000 2.147 242 K HA -0.078 4.242 4.320 0.000 0.000 0.205 242 K C 1.948 178.515 176.600 -0.055 0.000 1.049 242 K CA 0.336 56.584 56.287 -0.065 0.000 0.936 242 K CB -0.426 32.040 32.500 -0.057 0.000 0.722 242 K HN 0.271 nan 8.250 nan 0.000 0.446 243 L N 2.223 123.431 121.223 -0.024 0.000 1.988 243 L HA -0.079 4.261 4.340 0.000 0.000 0.207 243 L C -1.096 175.715 176.870 -0.099 0.000 1.071 243 L CA 1.894 56.730 54.840 -0.007 0.000 0.744 243 L CB -1.422 40.670 42.059 0.056 0.000 0.893 243 L HN 0.034 nan 8.230 nan 0.000 0.433 244 P HA -0.121 nan 4.420 nan 0.000 0.218 244 P C 1.466 178.741 177.300 -0.041 0.000 1.149 244 P CA 1.727 64.790 63.100 -0.061 0.000 0.817 244 P CB -0.235 31.449 31.700 -0.027 0.000 0.785 245 T N 0.268 114.800 114.554 -0.037 0.000 2.746 245 T HA -0.081 4.269 4.350 0.000 0.000 0.267 245 T C 2.085 176.760 174.700 -0.041 0.000 1.039 245 T CA 1.779 63.903 62.100 0.040 0.000 1.142 245 T CB -0.783 68.086 68.868 0.001 0.000 0.866 245 T HN 0.091 nan 8.240 nan 0.000 0.444 246 A N 1.169 123.840 122.820 -0.249 0.000 1.902 246 A HA -0.027 4.293 4.320 0.000 0.000 0.217 246 A C 2.320 179.433 177.584 -0.784 0.000 1.181 246 A CA 1.677 53.404 52.037 -0.516 0.000 0.623 246 A CB -0.707 17.878 19.000 -0.693 0.000 0.818 246 A HN 0.481 nan 8.150 nan 0.000 0.443 247 M N -1.777 117.325 119.600 -0.830 0.000 2.117 247 M HA -0.154 4.326 4.480 0.000 0.000 0.262 247 M C 2.162 178.407 176.300 -0.092 0.000 1.065 247 M CA 2.243 57.215 55.300 -0.547 0.000 1.114 247 M CB -0.331 32.068 32.600 -0.335 0.000 1.361 247 M HN 0.619 nan 8.290 nan 0.000 0.408 248 Y N 0.744 120.965 120.300 -0.131 0.000 2.128 248 Y HA -0.241 4.309 4.550 0.000 0.000 0.284 248 Y C 2.091 177.993 175.900 0.003 0.000 1.154 248 Y CA 1.940 60.029 58.100 -0.018 0.000 1.149 248 Y CB -0.646 37.836 38.460 0.036 0.000 0.976 248 Y HN 0.142 nan 8.280 nan 0.000 0.505 249 R N 0.160 120.373 120.500 -0.478 0.000 2.159 249 R HA -0.167 4.173 4.340 0.000 0.000 0.237 249 R C 1.759 177.891 176.300 -0.281 0.000 1.131 249 R CA 1.523 57.304 56.100 -0.532 0.000 0.982 249 R CB -0.382 29.750 30.300 -0.279 0.000 0.868 249 R HN 0.369 nan 8.270 nan 0.000 0.453 250 D N 0.132 120.459 120.400 -0.122 0.000 2.219 250 D HA -0.083 4.557 4.640 0.000 0.000 0.205 250 D C 1.087 177.380 176.300 -0.011 0.000 0.970 250 D CA 0.955 54.975 54.000 0.033 0.000 0.851 250 D CB 0.267 41.255 40.800 0.314 0.000 0.943 250 D HN 0.409 nan 8.370 nan 0.000 0.488 251 I N -2.635 117.905 120.570 -0.050 0.000 3.658 251 I HA 0.270 4.440 4.170 0.000 0.000 0.328 251 I C 1.343 177.407 176.117 -0.088 0.000 1.567 251 I CA -0.434 60.842 61.300 -0.041 0.000 1.078 251 I CB 0.225 38.240 38.000 0.025 0.000 1.267 251 I HN -0.218 nan 8.210 nan 0.000 0.495 252 Q N 2.908 122.563 119.800 -0.241 0.000 2.082 252 Q HA -0.284 4.056 4.340 0.000 0.000 0.211 252 Q C 1.744 177.705 176.000 -0.065 0.000 1.002 252 Q CA 3.008 58.613 55.803 -0.330 0.000 0.868 252 Q CB -0.042 28.450 28.738 -0.411 0.000 0.931 252 Q HN 0.822 nan 8.270 nan 0.000 0.414 253 D N -0.462 119.908 120.400 -0.049 0.000 2.309 253 D HA -0.183 4.457 4.640 0.000 0.000 0.212 253 D C 0.762 177.088 176.300 0.043 0.000 0.968 253 D CA 1.108 55.103 54.000 -0.008 0.000 0.882 253 D CB -0.105 40.685 40.800 -0.016 0.000 0.918 253 D HN 0.366 nan 8.370 nan 0.000 0.503 254 K N 0.074 120.507 120.400 0.054 0.000 2.374 254 K HA 0.203 4.523 4.320 0.000 0.000 0.196 254 K C 0.003 176.676 176.600 0.122 0.000 1.023 254 K CA -0.127 56.217 56.287 0.095 0.000 1.103 254 K CB 1.666 34.190 32.500 0.039 0.000 0.848 254 K HN -0.017 nan 8.250 nan 0.000 0.528 255 V N 2.296 122.284 119.914 0.124 0.000 2.398 255 V HA 0.183 4.303 4.120 0.000 0.000 0.286 255 V C -0.418 175.660 176.094 -0.027 0.000 1.026 255 V CA -0.799 61.495 62.300 -0.011 0.000 0.868 255 V CB 1.035 32.816 31.823 -0.071 0.000 0.982 255 V HN 0.245 nan 8.190 nan 0.000 0.443 256 H N 4.581 123.388 119.070 -0.439 0.000 2.539 256 H HA 0.477 5.034 4.556 0.000 0.000 0.332 256 H C -0.973 174.067 175.328 -0.480 0.000 1.031 256 H CA -0.533 55.294 56.048 -0.368 0.000 1.206 256 H CB 1.475 31.075 29.762 -0.269 0.000 1.446 256 H HN 0.476 nan 8.280 nan 0.000 0.496 257 F N 0.727 120.684 119.950 0.012 0.000 2.380 257 F HA 0.109 4.637 4.527 0.000 0.000 0.319 257 F C 1.078 176.860 175.800 -0.031 0.000 1.113 257 F CA -0.676 57.291 58.000 -0.055 0.000 1.056 257 F CB 0.577 39.526 39.000 -0.085 0.000 1.289 257 F HN 0.646 nan 8.300 nan 0.000 0.515 258 N N -0.466 118.337 118.700 0.172 0.000 2.735 258 N HA -0.177 4.563 4.740 0.000 0.000 0.248 258 N C -1.069 174.503 175.510 0.103 0.000 1.083 258 N CA 0.442 53.558 53.050 0.110 0.000 0.703 258 N CB -0.913 37.645 38.487 0.119 0.000 1.005 258 N HN 0.627 nan 8.380 nan 0.000 0.550 259 A N 0.833 123.672 122.820 0.033 0.000 2.536 259 A HA 0.402 4.722 4.320 0.000 0.000 0.329 259 A C -0.101 177.475 177.584 -0.013 0.000 1.321 259 A CA -0.402 51.643 52.037 0.013 0.000 0.804 259 A CB 0.750 19.556 19.000 -0.324 0.000 1.126 259 A HN 0.305 nan 8.150 nan 0.000 0.480 260 Q N 2.614 122.474 119.800 0.100 0.000 2.349 260 Q HA 0.457 4.797 4.340 0.000 0.000 0.254 260 Q C -0.774 175.294 176.000 0.113 0.000 0.980 260 Q CA -0.348 55.501 55.803 0.077 0.000 0.924 260 Q CB 0.909 29.718 28.738 0.118 0.000 1.209 260 Q HN 0.497 nan 8.270 nan 0.000 0.445 261 V N 6.870 126.820 119.914 0.060 0.000 2.599 261 V HA -0.050 4.070 4.120 0.000 0.000 0.300 261 V C 1.098 177.205 176.094 0.021 0.000 1.034 261 V CA 0.807 63.141 62.300 0.056 0.000 1.115 261 V CB 0.405 32.218 31.823 -0.015 0.000 0.934 261 V HN 0.862 nan 8.190 nan 0.000 0.485 262 I N 0.808 121.378 120.570 0.001 0.000 4.456 262 I HA 0.466 4.636 4.170 0.000 0.000 0.329 262 I C 0.438 176.498 176.117 -0.095 0.000 1.313 262 I CA 0.011 61.294 61.300 -0.029 0.000 1.205 262 I CB 0.325 38.323 38.000 -0.003 0.000 1.179 262 I HN 0.400 nan 8.210 nan 0.000 0.419 263 K N 2.016 122.341 120.400 -0.125 0.000 2.525 263 K HA 0.699 5.019 4.320 0.000 0.000 0.254 263 K C -1.417 175.047 176.600 -0.226 0.000 0.934 263 K CA -0.485 55.694 56.287 -0.180 0.000 0.802 263 K CB 3.340 35.779 32.500 -0.101 0.000 1.295 263 K HN 0.029 nan 8.250 nan 0.000 0.433 264 I N 2.754 123.119 120.570 -0.340 0.000 2.512 264 I HA 0.234 4.404 4.170 0.000 0.000 0.287 264 I C -0.937 175.111 176.117 -0.116 0.000 1.069 264 I CA -0.616 60.524 61.300 -0.266 0.000 1.056 264 I CB 2.167 39.912 38.000 -0.425 0.000 1.229 264 I HN 0.473 nan 8.210 nan 0.000 0.429 265 Q N 5.915 125.693 119.800 -0.038 0.000 2.433 265 Q HA 0.662 5.002 4.340 0.000 0.000 0.279 265 Q C -1.271 174.744 176.000 0.026 0.000 1.105 265 Q CA -0.960 54.852 55.803 0.015 0.000 0.815 265 Q CB 3.244 31.981 28.738 -0.001 0.000 1.403 265 Q HN 0.611 nan 8.270 nan 0.000 0.435 266 Q N 0.473 120.298 119.800 0.042 0.000 2.482 266 Q HA 0.606 4.946 4.340 0.000 0.000 0.286 266 Q C -1.560 174.453 176.000 0.022 0.000 1.007 266 Q CA -0.922 54.898 55.803 0.027 0.000 0.801 266 Q CB 1.672 30.437 28.738 0.045 0.000 1.455 266 Q HN 0.695 nan 8.270 nan 0.000 0.398 267 N N -0.297 118.407 118.700 0.006 0.000 3.167 267 N HA 0.335 5.075 4.740 0.000 0.000 0.323 267 N C -0.567 174.942 175.510 -0.001 0.000 1.478 267 N CA -0.618 52.436 53.050 0.006 0.000 0.753 267 N CB 0.358 38.845 38.487 0.001 0.000 1.721 267 N HN 0.489 nan 8.380 nan 0.000 0.618 268 D N -0.937 119.464 120.400 0.001 0.000 2.263 268 D HA -0.091 4.549 4.640 0.000 0.000 0.208 268 D C 0.997 177.287 176.300 -0.017 0.000 0.971 268 D CA 1.279 55.280 54.000 0.000 0.000 0.867 268 D CB 0.082 40.887 40.800 0.008 0.000 0.929 268 D HN 0.432 nan 8.370 nan 0.000 0.492 269 Q N -0.400 119.384 119.800 -0.027 0.000 2.387 269 Q HA 0.147 4.487 4.340 0.000 0.000 0.212 269 Q C 0.640 176.589 176.000 -0.086 0.000 0.925 269 Q CA 0.707 56.482 55.803 -0.046 0.000 0.901 269 Q CB 0.939 29.660 28.738 -0.027 0.000 1.020 269 Q HN 0.137 nan 8.270 nan 0.000 0.545 270 K N 0.491 120.848 120.400 -0.071 0.000 2.439 270 K HA 0.562 4.882 4.320 0.000 0.000 0.260 270 K C -0.546 176.012 176.600 -0.070 0.000 1.032 270 K CA -0.752 55.481 56.287 -0.091 0.000 0.882 270 K CB 2.369 34.834 32.500 -0.057 0.000 1.420 270 K HN -0.022 nan 8.250 nan 0.000 0.455 271 V N -2.090 117.778 119.914 -0.078 0.000 2.769 271 V HA 0.742 4.862 4.120 0.000 0.000 0.312 271 V C -0.556 175.508 176.094 -0.049 0.000 1.061 271 V CA -0.457 61.813 62.300 -0.049 0.000 0.931 271 V CB 1.824 33.621 31.823 -0.043 0.000 1.010 271 V HN 0.681 nan 8.190 nan 0.000 0.433 272 T N 3.292 117.825 114.554 -0.035 0.000 2.809 272 T HA 0.642 4.992 4.350 0.000 0.000 0.284 272 T C -0.578 174.098 174.700 -0.040 0.000 0.992 272 T CA -0.364 61.716 62.100 -0.033 0.000 0.957 272 T CB 1.433 70.287 68.868 -0.024 0.000 0.942 272 T HN 0.743 nan 8.240 nan 0.000 0.439 273 V N 4.093 123.989 119.914 -0.030 0.000 2.384 273 V HA 0.489 4.609 4.120 0.000 0.000 0.287 273 V C -0.106 176.009 176.094 0.034 0.000 1.020 273 V CA -0.776 61.512 62.300 -0.019 0.000 0.850 273 V CB 1.650 33.460 31.823 -0.022 0.000 0.987 273 V HN 0.690 nan 8.190 nan 0.000 0.436 274 V N 6.350 126.266 119.914 0.003 0.000 2.435 274 V HA 0.603 4.723 4.120 0.000 0.000 0.290 274 V C -0.648 175.479 176.094 0.055 0.000 1.030 274 V CA -0.580 61.708 62.300 -0.020 0.000 0.881 274 V CB 1.350 33.134 31.823 -0.066 0.000 0.983 274 V HN 0.892 nan 8.190 nan 0.000 0.445 275 Y N 1.351 121.628 120.300 -0.039 0.000 2.553 275 Y HA 0.794 5.344 4.550 0.000 0.000 0.347 275 Y C -0.385 175.511 175.900 -0.007 0.000 1.019 275 Y CA -1.330 56.753 58.100 -0.028 0.000 1.032 275 Y CB 1.282 39.722 38.460 -0.032 0.000 1.284 275 Y HN 0.591 nan 8.280 nan 0.000 0.466 276 E N 1.225 121.518 120.200 0.155 0.000 2.283 276 E HA 0.533 4.884 4.350 0.000 0.000 0.267 276 E C -0.454 176.260 176.600 0.190 0.000 1.045 276 E CA -0.661 55.791 56.400 0.087 0.000 0.884 276 E CB 1.705 31.451 29.700 0.077 0.000 1.106 276 E HN 0.836 nan 8.360 nan 0.000 0.408 277 T N -2.223 112.402 114.554 0.118 0.000 2.724 277 T HA 0.332 4.682 4.350 0.000 0.000 0.274 277 T C 0.920 175.676 174.700 0.095 0.000 0.984 277 T CA -0.836 61.351 62.100 0.146 0.000 1.024 277 T CB 0.235 69.180 68.868 0.129 0.000 1.320 277 T HN 0.347 nan 8.240 nan 0.000 0.555 278 L N 0.980 122.254 121.223 0.086 0.000 2.376 278 L HA 0.131 4.471 4.340 0.000 0.000 0.219 278 L C 1.769 178.666 176.870 0.044 0.000 1.133 278 L CA 0.569 55.447 54.840 0.063 0.000 0.816 278 L CB -0.485 41.609 42.059 0.058 0.000 0.933 278 L HN 0.826 nan 8.230 nan 0.000 0.449 279 S N -1.399 114.325 115.700 0.040 0.000 2.677 279 S HA 0.257 4.728 4.470 0.000 0.000 0.290 279 S C 1.022 175.631 174.600 0.015 0.000 1.124 279 S CA -0.762 57.452 58.200 0.024 0.000 1.017 279 S CB 0.989 64.200 63.200 0.019 0.000 1.215 279 S HN -0.099 nan 8.310 nan 0.000 0.524 280 K N 0.634 121.037 120.400 0.005 0.000 2.366 280 K HA 0.166 4.486 4.320 0.000 0.000 0.198 280 K C 0.618 177.208 176.600 -0.018 0.000 1.044 280 K CA 0.268 56.552 56.287 -0.004 0.000 0.973 280 K CB -0.598 31.899 32.500 -0.005 0.000 0.767 280 K HN 0.760 nan 8.250 nan 0.000 0.475 281 E N 2.091 122.279 120.200 -0.020 0.000 2.415 281 E HA -0.033 4.317 4.350 0.000 0.000 0.263 281 E C -0.657 175.891 176.600 -0.087 0.000 0.995 281 E CA 0.297 56.669 56.400 -0.047 0.000 0.915 281 E CB 0.445 30.125 29.700 -0.035 0.000 0.951 281 E HN 0.045 nan 8.360 nan 0.000 0.449 282 T N 2.916 117.390 114.554 -0.135 0.000 3.241 282 T HA 0.391 4.741 4.350 0.000 0.000 0.387 282 T C -2.531 171.971 174.700 -0.330 0.000 1.451 282 T CA -1.939 60.030 62.100 -0.218 0.000 1.363 282 T CB 0.962 69.751 68.868 -0.132 0.000 1.074 282 T HN 0.237 nan 8.240 nan 0.000 0.598 283 P HA 0.284 nan 4.420 nan 0.000 0.269 283 P C -0.287 176.741 177.300 -0.453 0.000 1.217 283 P CA -0.166 62.630 63.100 -0.507 0.000 0.783 283 P CB 0.557 31.887 31.700 -0.618 0.000 0.898 284 S N 0.999 116.585 115.700 -0.189 0.000 2.502 284 S HA 0.552 5.022 4.470 0.000 0.000 0.304 284 S C -1.191 173.417 174.600 0.013 0.000 1.097 284 S CA -0.729 57.423 58.200 -0.079 0.000 1.045 284 S CB 0.639 63.803 63.200 -0.060 0.000 1.019 284 S HN 0.246 nan 8.310 nan 0.000 0.481 285 V N 5.070 125.022 119.914 0.063 0.000 2.540 285 V HA 0.690 4.810 4.120 0.000 0.000 0.302 285 V C -0.438 175.672 176.094 0.028 0.000 1.035 285 V CA -0.101 62.251 62.300 0.087 0.000 0.873 285 V CB 1.921 33.823 31.823 0.131 0.000 0.992 285 V HN 0.958 nan 8.190 nan 0.000 0.428 286 T N 6.392 120.973 114.554 0.046 0.000 2.829 286 T HA 0.871 5.221 4.350 0.000 0.000 0.282 286 T C -0.074 174.623 174.700 -0.005 0.000 0.990 286 T CA 0.323 62.431 62.100 0.013 0.000 1.028 286 T CB 1.420 70.308 68.868 0.032 0.000 0.951 286 T HN 1.279 nan 8.240 nan 0.000 0.460 287 A N 1.944 124.701 122.820 -0.105 0.000 2.568 287 A HA 0.640 4.960 4.320 0.000 0.000 0.291 287 A C 0.202 177.698 177.584 -0.147 0.000 1.159 287 A CA -0.650 51.264 52.037 -0.205 0.000 0.679 287 A CB 0.818 19.467 19.000 -0.584 0.000 1.285 287 A HN 0.663 nan 8.150 nan 0.000 0.428 288 D N -1.126 119.186 120.400 -0.147 0.000 2.216 288 D HA 0.152 4.792 4.640 0.000 0.000 0.208 288 D C -0.514 175.409 176.300 -0.628 0.000 0.960 288 D CA 1.928 55.724 54.000 -0.339 0.000 0.861 288 D CB 0.145 40.804 40.800 -0.234 0.000 0.985 288 D HN 0.470 nan 8.370 nan 0.000 0.493 289 Y N -1.094 119.177 120.300 -0.049 0.000 2.615 289 Y HA 0.458 5.008 4.550 0.000 0.000 0.341 289 Y C -0.571 175.288 175.900 -0.068 0.000 1.089 289 Y CA -1.147 56.941 58.100 -0.020 0.000 1.049 289 Y CB 2.426 40.857 38.460 -0.049 0.000 1.296 289 Y HN -0.362 nan 8.280 nan 0.000 0.470 290 V N 3.454 123.466 119.914 0.164 0.000 2.733 290 V HA 0.625 4.745 4.120 0.000 0.000 0.306 290 V C -1.631 174.485 176.094 0.037 0.000 1.084 290 V CA -0.703 61.618 62.300 0.035 0.000 0.905 290 V CB 1.628 33.445 31.823 -0.009 0.000 1.010 290 V HN 0.669 nan 8.190 nan 0.000 0.424 291 I N 6.857 127.408 120.570 -0.031 0.000 2.382 291 I HA 0.421 4.592 4.170 0.000 0.000 0.286 291 I C -0.381 175.678 176.117 -0.096 0.000 1.002 291 I CA -0.933 60.334 61.300 -0.054 0.000 1.135 291 I CB 1.910 39.883 38.000 -0.046 0.000 1.288 291 I HN 0.309 nan 8.210 nan 0.000 0.448 292 V N 5.837 125.628 119.914 -0.205 0.000 2.408 292 V HA 0.061 4.182 4.120 0.000 0.000 0.267 292 V C 0.319 176.448 176.094 0.058 0.000 1.047 292 V CA -0.123 62.124 62.300 -0.089 0.000 0.937 292 V CB 0.907 32.644 31.823 -0.143 0.000 0.999 292 V HN 0.914 nan 8.190 nan 0.000 0.472 293 C N 3.696 123.045 119.300 0.081 0.000 2.660 293 C HA 0.308 4.769 4.460 0.000 0.000 0.265 293 C C 1.341 176.420 174.990 0.149 0.000 1.573 293 C CA -0.395 58.688 59.018 0.107 0.000 1.751 293 C CB -1.191 26.572 27.740 0.039 0.000 3.033 293 C HN 0.960 nan 8.230 nan 0.000 0.511 294 T N -1.292 113.391 114.554 0.214 0.000 2.884 294 T HA 0.536 4.886 4.350 0.000 0.000 0.277 294 T C 0.479 175.363 174.700 0.306 0.000 0.976 294 T CA -0.024 62.199 62.100 0.204 0.000 0.956 294 T CB 0.746 69.719 68.868 0.176 0.000 1.113 294 T HN 0.404 nan 8.240 nan 0.000 0.554 295 T N -0.646 114.040 114.554 0.220 0.000 2.813 295 T HA 0.240 4.590 4.350 0.000 0.000 0.297 295 T C 1.708 176.427 174.700 0.032 0.000 1.036 295 T CA -0.185 62.042 62.100 0.213 0.000 1.044 295 T CB 0.458 69.353 68.868 0.046 0.000 0.993 295 T HN 0.841 nan 8.240 nan 0.000 0.535 296 S N 1.213 116.718 115.700 -0.326 0.000 2.382 296 S HA -0.181 4.289 4.470 0.000 0.000 0.228 296 S C 2.007 176.449 174.600 -0.263 0.000 1.027 296 S CA 0.643 58.435 58.200 -0.680 0.000 0.991 296 S CB -0.539 62.095 63.200 -0.944 0.000 0.823 296 S HN 0.743 nan 8.310 nan 0.000 0.469 297 R N 1.486 121.862 120.500 -0.207 0.000 2.092 297 R HA 0.139 4.479 4.340 0.000 0.000 0.231 297 R C 2.715 178.983 176.300 -0.053 0.000 1.119 297 R CA 1.133 57.148 56.100 -0.142 0.000 0.970 297 R CB -0.713 29.467 30.300 -0.200 0.000 0.864 297 R HN 0.564 nan 8.270 nan 0.000 0.440 298 A N 0.688 123.498 122.820 -0.016 0.000 2.019 298 A HA -0.094 4.226 4.320 0.000 0.000 0.219 298 A C 2.260 179.911 177.584 0.112 0.000 1.164 298 A CA 1.133 53.207 52.037 0.062 0.000 0.644 298 A CB -0.350 18.713 19.000 0.104 0.000 0.805 298 A HN 0.112 nan 8.150 nan 0.000 0.449 299 V N 0.151 120.144 119.914 0.132 0.000 2.407 299 V HA -0.268 3.852 4.120 0.000 0.000 0.248 299 V C 2.444 178.699 176.094 0.268 0.000 1.055 299 V CA 2.143 64.601 62.300 0.263 0.000 1.049 299 V CB -0.837 31.140 31.823 0.257 0.000 0.662 299 V HN 0.557 nan 8.190 nan 0.000 0.455 300 R N -0.303 120.273 120.500 0.126 0.000 2.285 300 R HA 0.021 4.361 4.340 0.000 0.000 0.213 300 R C 1.951 178.317 176.300 0.110 0.000 1.068 300 R CA 0.815 56.978 56.100 0.105 0.000 1.004 300 R CB -0.255 30.060 30.300 0.025 0.000 0.873 300 R HN 0.456 nan 8.270 nan 0.000 0.467 301 L N 0.422 121.707 121.223 0.103 0.000 2.446 301 L HA 0.133 4.473 4.340 0.000 0.000 0.219 301 L C 0.757 177.668 176.870 0.067 0.000 1.116 301 L CA 0.163 55.047 54.840 0.073 0.000 0.844 301 L CB 0.100 42.196 42.059 0.063 0.000 0.970 301 L HN 0.067 nan 8.230 nan 0.000 0.457 302 I N 0.794 121.421 120.570 0.094 0.000 2.395 302 I HA 0.055 4.225 4.170 0.000 0.000 0.289 302 I C 0.509 176.596 176.117 -0.051 0.000 1.023 302 I CA -0.123 61.151 61.300 -0.043 0.000 1.350 302 I CB 1.072 38.964 38.000 -0.180 0.000 1.409 302 I HN -0.019 nan 8.210 nan 0.000 0.507 303 K N 6.697 127.024 120.400 -0.121 0.000 2.285 303 K HA 0.354 4.674 4.320 0.000 0.000 0.286 303 K C -1.325 175.184 176.600 -0.152 0.000 1.072 303 K CA -0.229 56.036 56.287 -0.037 0.000 0.913 303 K CB 0.465 32.951 32.500 -0.023 0.000 1.067 303 K HN 0.279 nan 8.250 nan 0.000 0.479 304 F N 2.988 122.964 119.950 0.042 0.000 2.443 304 F HA 0.312 4.840 4.527 0.000 0.000 0.335 304 F C 0.320 176.140 175.800 0.034 0.000 1.104 304 F CA -0.602 57.426 58.000 0.047 0.000 1.013 304 F CB 1.611 40.654 39.000 0.071 0.000 1.136 304 F HN 0.545 nan 8.300 nan 0.000 0.470 305 N N 4.311 123.124 118.700 0.188 0.000 2.533 305 N HA 0.329 5.069 4.740 0.000 0.000 0.289 305 N C -2.958 172.616 175.510 0.107 0.000 1.103 305 N CA -1.786 51.334 53.050 0.116 0.000 0.877 305 N CB 1.923 40.446 38.487 0.060 0.000 1.419 305 N HN 0.174 nan 8.380 nan 0.000 0.517 306 P HA 0.195 nan 4.420 nan 0.000 0.272 306 P C -2.763 174.618 177.300 0.135 0.000 1.230 306 P CA -0.851 62.305 63.100 0.093 0.000 0.788 306 P CB 0.318 32.056 31.700 0.063 0.000 0.949 307 P HA 0.101 nan 4.420 nan 0.000 0.270 307 P C 0.053 177.370 177.300 0.028 0.000 1.223 307 P CA 0.001 63.169 63.100 0.114 0.000 0.785 307 P CB 0.601 32.345 31.700 0.074 0.000 0.923 308 L N 1.445 122.623 121.223 -0.076 0.000 2.453 308 L HA 0.086 4.426 4.340 0.000 0.000 0.272 308 L C 1.171 177.980 176.870 -0.101 0.000 1.182 308 L CA -0.294 54.436 54.840 -0.183 0.000 0.858 308 L CB -0.406 41.432 42.059 -0.369 0.000 1.120 308 L HN 0.278 nan 8.230 nan 0.000 0.474 309 L N 4.834 126.006 121.223 -0.084 0.000 2.499 309 L HA -0.025 4.315 4.340 0.000 0.000 0.281 309 L C -1.115 175.722 176.870 -0.055 0.000 1.234 309 L CA -1.117 53.691 54.840 -0.052 0.000 0.839 309 L CB -0.103 41.932 42.059 -0.040 0.000 1.104 309 L HN 0.466 nan 8.230 nan 0.000 0.500 310 P HA -0.238 nan 4.420 nan 0.000 0.217 310 P C 1.121 178.429 177.300 0.014 0.000 1.162 310 P CA 1.650 64.748 63.100 -0.004 0.000 0.901 310 P CB 0.136 31.845 31.700 0.015 0.000 0.793 311 K N -0.380 120.021 120.400 0.002 0.000 2.026 311 K HA -0.184 4.136 4.320 0.000 0.000 0.208 311 K C 2.223 178.790 176.600 -0.055 0.000 1.048 311 K CA 1.453 57.739 56.287 -0.002 0.000 0.929 311 K CB -0.347 32.139 32.500 -0.024 0.000 0.713 311 K HN 0.110 nan 8.250 nan 0.000 0.439 312 K N 0.914 121.248 120.400 -0.109 0.000 2.057 312 K HA -0.112 4.208 4.320 0.000 0.000 0.206 312 K C 2.154 178.628 176.600 -0.209 0.000 1.050 312 K CA 1.167 57.337 56.287 -0.196 0.000 0.935 312 K CB -0.098 32.238 32.500 -0.274 0.000 0.715 312 K HN 0.110 nan 8.250 nan 0.000 0.439 313 A N 1.176 123.906 122.820 -0.150 0.000 1.883 313 A HA -0.243 4.077 4.320 0.000 0.000 0.217 313 A C 2.128 179.654 177.584 -0.095 0.000 1.186 313 A CA 1.913 53.874 52.037 -0.126 0.000 0.624 313 A CB -1.030 17.920 19.000 -0.082 0.000 0.822 313 A HN 0.530 nan 8.150 nan 0.000 0.444 314 H N 0.247 119.210 119.070 -0.177 0.000 2.321 314 H HA 0.007 4.563 4.556 0.000 0.000 0.300 314 H C 2.331 177.358 175.328 -0.503 0.000 1.087 314 H CA 1.684 57.614 56.048 -0.196 0.000 1.319 314 H CB -0.631 29.112 29.762 -0.031 0.000 1.379 314 H HN 0.382 nan 8.280 nan 0.000 0.501 315 A N 0.970 123.449 122.820 -0.568 0.000 1.883 315 A HA -0.130 4.190 4.320 0.000 0.000 0.217 315 A C 2.877 180.056 177.584 -0.676 0.000 1.186 315 A CA 1.610 52.956 52.037 -1.152 0.000 0.624 315 A CB -1.017 17.607 19.000 -0.625 0.000 0.822 315 A HN 0.446 nan 8.150 nan 0.000 0.444 316 L N -1.132 119.853 121.223 -0.396 0.000 2.083 316 L HA -0.190 4.150 4.340 0.000 0.000 0.209 316 L C 2.784 179.519 176.870 -0.226 0.000 1.083 316 L CA 1.792 56.446 54.840 -0.310 0.000 0.752 316 L CB -0.450 41.458 42.059 -0.252 0.000 0.899 316 L HN 0.527 nan 8.230 nan 0.000 0.433 317 R N -0.208 120.183 120.500 -0.182 0.000 2.062 317 R HA -0.099 4.241 4.340 0.000 0.000 0.229 317 R C 2.196 178.457 176.300 -0.065 0.000 1.128 317 R CA 1.785 57.829 56.100 -0.093 0.000 0.960 317 R CB -0.031 30.235 30.300 -0.058 0.000 0.855 317 R HN 0.165 nan 8.270 nan 0.000 0.432 318 S N 0.039 115.664 115.700 -0.126 0.000 2.478 318 S HA 0.119 4.589 4.470 0.000 0.000 0.222 318 S C 0.372 174.937 174.600 -0.059 0.000 1.008 318 S CA -0.076 58.095 58.200 -0.047 0.000 0.928 318 S CB 0.488 63.728 63.200 0.068 0.000 0.781 318 S HN 0.069 nan 8.310 nan 0.000 0.518 319 V N 3.698 123.465 119.914 -0.246 0.000 2.539 319 V HA -0.060 4.060 4.120 0.000 0.000 0.300 319 V C 0.427 176.588 176.094 0.111 0.000 1.019 319 V CA 0.404 62.617 62.300 -0.144 0.000 1.160 319 V CB -0.490 31.214 31.823 -0.198 0.000 0.901 319 V HN 0.433 nan 8.190 nan 0.000 0.481 320 H N 5.099 124.203 119.070 0.057 0.000 2.551 320 H HA 0.488 5.044 4.556 0.000 0.000 0.358 320 H C -1.029 174.351 175.328 0.086 0.000 1.151 320 H CA -0.030 56.113 56.048 0.159 0.000 1.374 320 H CB 0.622 30.495 29.762 0.185 0.000 1.473 320 H HN 0.540 nan 8.280 nan 0.000 0.574 321 Y N 1.458 121.467 120.300 -0.485 0.000 2.477 321 Y HA 0.309 4.859 4.550 0.000 0.000 0.347 321 Y C -0.232 175.428 175.900 -0.400 0.000 0.981 321 Y CA -1.021 56.910 58.100 -0.283 0.000 1.033 321 Y CB 1.447 39.818 38.460 -0.147 0.000 1.245 321 Y HN 0.660 nan 8.280 nan 0.000 0.455 322 R N 0.803 121.306 120.500 0.006 0.000 2.532 322 R HA 0.772 5.112 4.340 0.000 0.000 0.295 322 R C -0.718 175.655 176.300 0.123 0.000 0.968 322 R CA -0.703 55.442 56.100 0.075 0.000 0.916 322 R CB 1.439 31.797 30.300 0.097 0.000 1.124 322 R HN 0.552 nan 8.270 nan 0.000 0.463 323 S N 0.411 116.200 115.700 0.148 0.000 2.589 323 S HA 0.470 4.940 4.470 0.000 0.000 0.265 323 S C 0.084 174.804 174.600 0.201 0.000 1.342 323 S CA 0.160 58.470 58.200 0.184 0.000 1.005 323 S CB 1.216 64.528 63.200 0.187 0.000 0.909 323 S HN 0.777 nan 8.310 nan 0.000 0.555 324 G N 0.829 109.799 108.800 0.283 0.000 2.668 324 G HA2 0.525 4.485 3.960 0.000 0.000 0.284 324 G HA3 0.525 4.485 3.960 0.000 0.000 0.284 324 G C -1.198 173.965 174.900 0.439 0.000 1.456 324 G CA -0.438 44.883 45.100 0.368 0.000 1.214 324 G HN 0.556 nan 8.290 nan 0.000 0.568 325 T N 2.090 116.865 114.554 0.367 0.000 2.879 325 T HA 0.526 4.876 4.350 0.000 0.000 0.290 325 T C -0.411 174.381 174.700 0.153 0.000 0.993 325 T CA -0.582 61.648 62.100 0.216 0.000 0.975 325 T CB 1.794 70.743 68.868 0.134 0.000 0.981 325 T HN 0.405 nan 8.240 nan 0.000 0.439 326 K N 2.866 123.271 120.400 0.008 0.000 2.345 326 K HA 0.613 4.933 4.320 0.000 0.000 0.255 326 K C -0.932 175.438 176.600 -0.383 0.000 0.934 326 K CA -0.665 55.472 56.287 -0.250 0.000 0.801 326 K CB 2.183 34.462 32.500 -0.367 0.000 1.137 326 K HN 0.490 nan 8.250 nan 0.000 0.424 327 I N 3.945 124.180 120.570 -0.559 0.000 2.355 327 I HA 0.321 4.491 4.170 0.000 0.000 0.288 327 I C -0.903 174.873 176.117 -0.569 0.000 0.999 327 I CA -0.753 60.264 61.300 -0.472 0.000 1.163 327 I CB 0.641 38.324 38.000 -0.529 0.000 1.316 327 I HN 0.359 nan 8.210 nan 0.000 0.454 328 F N 6.508 126.308 119.950 -0.251 0.000 2.420 328 F HA 0.539 5.066 4.527 0.000 0.000 0.342 328 F C -0.070 175.543 175.800 -0.312 0.000 1.113 328 F CA -0.665 57.192 58.000 -0.238 0.000 1.059 328 F CB 1.133 40.039 39.000 -0.156 0.000 1.128 328 F HN 0.118 nan 8.300 nan 0.000 0.475 329 L N 3.119 124.233 121.223 -0.181 0.000 2.333 329 L HA 0.468 4.808 4.340 0.000 0.000 0.280 329 L C -0.368 176.320 176.870 -0.303 0.000 1.004 329 L CA -0.539 54.142 54.840 -0.264 0.000 0.820 329 L CB 1.912 43.838 42.059 -0.223 0.000 1.247 329 L HN 0.569 nan 8.230 nan 0.000 0.416 330 T N 2.029 116.238 114.554 -0.575 0.000 2.744 330 T HA 0.364 4.714 4.350 0.000 0.000 0.291 330 T C -0.245 174.291 174.700 -0.274 0.000 0.957 330 T CA -0.240 61.455 62.100 -0.674 0.000 1.002 330 T CB 0.475 68.582 68.868 -1.268 0.000 0.919 330 T HN 0.537 nan 8.240 nan 0.000 0.468 331 c N 2.933 121.511 118.600 -0.037 0.000 2.456 331 c HA 0.539 5.109 4.570 0.000 0.000 0.325 331 c C 1.967 176.124 174.090 0.111 0.000 1.217 331 c CA -0.804 55.623 56.329 0.163 0.000 1.687 331 c CB 1.130 43.846 42.510 0.343 0.000 2.270 331 c HN 1.018 nan 8.230 nan 0.000 0.499 332 T N -2.225 112.413 114.554 0.140 0.000 3.044 332 T HA 0.089 4.439 4.350 0.000 0.000 0.250 332 T C 0.459 175.151 174.700 -0.013 0.000 1.081 332 T CA 0.433 62.583 62.100 0.085 0.000 1.040 332 T CB -0.116 68.825 68.868 0.122 0.000 0.962 332 T HN 0.638 nan 8.240 nan 0.000 0.506 333 T N 2.611 117.125 114.554 -0.067 0.000 2.864 333 T HA 0.342 4.693 4.350 0.000 0.000 0.299 333 T C -0.454 173.973 174.700 -0.456 0.000 1.011 333 T CA -0.738 61.162 62.100 -0.333 0.000 0.975 333 T CB 1.392 69.822 68.868 -0.730 0.000 0.962 333 T HN 0.169 nan 8.240 nan 0.000 0.448 334 K N 3.583 123.558 120.400 -0.707 0.000 2.480 334 K HA 0.132 4.453 4.320 0.000 0.000 0.241 334 K C 1.148 176.823 176.600 -1.541 0.000 1.261 334 K CA -0.267 55.058 56.287 -1.604 0.000 1.193 334 K CB -0.443 31.251 32.500 -1.344 0.000 1.598 334 K HN 0.689 nan 8.250 nan 0.000 0.278 335 F N -0.548 118.858 119.950 -0.907 0.000 2.192 335 F HA -0.228 4.299 4.527 0.000 0.000 0.301 335 F C 1.572 177.180 175.800 -0.321 0.000 1.079 335 F CA 0.521 58.231 58.000 -0.483 0.000 1.303 335 F CB -0.890 38.023 39.000 -0.146 0.000 1.024 335 F HN 0.416 nan 8.300 nan 0.000 0.494 336 W N 1.413 122.255 121.300 -0.764 0.000 2.421 336 W HA 0.031 4.691 4.660 0.000 0.000 0.270 336 W C 1.550 177.868 176.519 -0.336 0.000 1.233 336 W CA 0.995 58.047 57.345 -0.488 0.000 1.226 336 W CB -1.274 27.783 29.460 -0.671 0.000 1.121 336 W HN 0.112 nan 8.180 nan 0.000 0.579 337 E N 0.920 120.699 120.200 -0.702 0.000 2.268 337 E HA -0.177 4.173 4.350 0.000 0.000 0.195 337 E C 1.271 177.714 176.600 -0.262 0.000 0.995 337 E CA 1.275 57.351 56.400 -0.539 0.000 0.836 337 E CB -0.356 29.017 29.700 -0.546 0.000 0.763 337 E HN 0.341 nan 8.360 nan 0.000 0.491 338 D N 1.101 121.404 120.400 -0.162 0.000 2.310 338 D HA -0.100 4.540 4.640 0.000 0.000 0.212 338 D C 0.860 177.187 176.300 0.046 0.000 0.965 338 D CA 0.833 54.815 54.000 -0.031 0.000 0.879 338 D CB -0.054 40.761 40.800 0.026 0.000 0.921 338 D HN 0.119 nan 8.370 nan 0.000 0.510 339 D N -0.661 119.784 120.400 0.075 0.000 2.339 339 D HA 0.154 4.794 4.640 0.000 0.000 0.217 339 D C 1.410 177.683 176.300 -0.045 0.000 1.050 339 D CA 0.303 54.379 54.000 0.126 0.000 0.856 339 D CB 0.612 41.617 40.800 0.341 0.000 0.922 339 D HN 0.206 nan 8.370 nan 0.000 0.518 340 G N 1.314 110.056 108.800 -0.096 0.000 2.136 340 G HA2 -0.281 3.679 3.960 0.000 0.000 0.242 340 G HA3 -0.281 3.679 3.960 0.000 0.000 0.242 340 G C 0.257 175.031 174.900 -0.211 0.000 0.989 340 G CA -0.280 44.761 45.100 -0.100 0.000 0.682 340 G HN 0.357 nan 8.290 nan 0.000 0.522 341 I N 1.568 121.917 120.570 -0.369 0.000 2.342 341 I HA 0.386 4.556 4.170 0.000 0.000 0.291 341 I C 0.098 175.858 176.117 -0.595 0.000 1.010 341 I CA -0.601 60.453 61.300 -0.412 0.000 1.308 341 I CB 0.853 38.560 38.000 -0.488 0.000 1.400 341 I HN 0.087 nan 8.210 nan 0.000 0.488 342 H N 5.421 124.451 119.070 -0.067 0.000 2.974 342 H HA 0.399 4.955 4.556 0.000 0.000 0.285 342 H C 0.308 175.602 175.328 -0.056 0.000 1.227 342 H CA -0.205 55.831 56.048 -0.020 0.000 1.569 342 H CB 1.378 31.117 29.762 -0.038 0.000 1.648 342 H HN 0.910 nan 8.280 nan 0.000 0.521 343 G N 1.149 109.955 108.800 0.010 0.000 2.757 343 G HA2 0.218 4.178 3.960 0.000 0.000 0.638 343 G HA3 0.218 4.178 3.960 0.000 0.000 0.638 343 G C 0.215 175.082 174.900 -0.055 0.000 1.344 343 G CA -0.198 44.859 45.100 -0.070 0.000 0.855 343 G HN 1.317 nan 8.290 nan 0.000 0.537 344 G N -0.765 107.970 108.800 -0.108 0.000 2.615 344 G HA2 0.496 4.456 3.960 0.000 0.000 0.218 344 G HA3 0.496 4.456 3.960 0.000 0.000 0.218 344 G C -0.184 174.705 174.900 -0.019 0.000 1.339 344 G CA 1.010 46.074 45.100 -0.059 0.000 0.884 344 G HN 2.621 nan 8.290 nan 0.000 0.559 345 K N -1.817 118.537 120.400 -0.078 0.000 2.556 345 K HA 0.773 5.093 4.320 0.000 0.000 0.274 345 K C -0.832 175.733 176.600 -0.059 0.000 0.966 345 K CA -0.648 55.519 56.287 -0.201 0.000 0.865 345 K CB 1.613 33.655 32.500 -0.764 0.000 1.444 345 K HN 0.758 nan 8.250 nan 0.000 0.433 346 S N 0.424 116.124 115.700 -0.001 0.000 2.549 346 S HA 0.535 5.005 4.470 0.000 0.000 0.297 346 S C -0.968 173.557 174.600 -0.124 0.000 1.115 346 S CA -0.557 57.642 58.200 -0.002 0.000 1.059 346 S CB 1.722 65.044 63.200 0.203 0.000 1.046 346 S HN 0.548 nan 8.310 nan 0.000 0.506 347 T N 1.888 116.323 114.554 -0.198 0.000 2.841 347 T HA 0.695 5.046 4.350 0.000 0.000 0.283 347 T C -0.345 174.287 174.700 -0.114 0.000 1.000 347 T CA -0.489 61.459 62.100 -0.252 0.000 0.977 347 T CB 1.735 70.531 68.868 -0.120 0.000 0.979 347 T HN 0.565 nan 8.240 nan 0.000 0.446 348 T N 0.477 114.883 114.554 -0.246 0.000 2.843 348 T HA 0.413 4.763 4.350 0.000 0.000 0.302 348 T C -0.648 173.974 174.700 -0.129 0.000 1.232 348 T CA -0.729 61.342 62.100 -0.049 0.000 1.009 348 T CB 1.433 70.330 68.868 0.049 0.000 1.254 348 T HN 0.585 nan 8.240 nan 0.000 0.504 349 D N 1.555 121.939 120.400 -0.028 0.000 2.340 349 D HA 0.229 4.870 4.640 0.000 0.000 0.217 349 D C 0.769 177.026 176.300 -0.072 0.000 1.081 349 D CA -0.122 53.842 54.000 -0.060 0.000 0.842 349 D CB -0.240 40.544 40.800 -0.027 0.000 0.934 349 D HN 0.371 nan 8.370 nan 0.000 0.511 350 L N 0.202 121.403 121.223 -0.036 0.000 2.466 350 L HA 0.208 4.548 4.340 0.000 0.000 0.257 350 L C -1.095 175.684 176.870 -0.152 0.000 1.189 350 L CA -1.788 53.014 54.840 -0.065 0.000 0.813 350 L CB 0.550 42.606 42.059 -0.005 0.000 1.118 350 L HN -0.247 nan 8.230 nan 0.000 0.471 351 P HA -0.167 nan 4.420 nan 0.000 0.217 351 P C 1.392 178.721 177.300 0.048 0.000 1.148 351 P CA 1.206 64.098 63.100 -0.346 0.000 0.834 351 P CB 0.213 31.537 31.700 -0.626 0.000 0.783 352 S N -1.513 114.248 115.700 0.102 0.000 2.399 352 S HA -0.156 4.314 4.470 0.000 0.000 0.231 352 S C 1.228 175.836 174.600 0.013 0.000 1.022 352 S CA 0.891 59.158 58.200 0.112 0.000 0.983 352 S CB -0.430 62.777 63.200 0.011 0.000 0.803 352 S HN 0.029 nan 8.310 nan 0.000 0.480 353 R N -1.009 119.416 120.500 -0.124 0.000 1.252 353 R HA -0.224 4.116 4.340 0.000 0.000 0.031 353 R C -0.514 175.306 176.300 -0.801 0.000 0.958 353 R CA 2.100 57.963 56.100 -0.395 0.000 1.965 353 R CB -1.478 28.709 30.300 -0.188 0.000 0.201 353 R HN 0.498 nan 8.270 nan 0.000 0.724 354 F N 0.522 120.453 119.950 -0.031 0.000 2.539 354 F HA 0.518 5.045 4.527 0.000 0.000 0.318 354 F C 0.181 175.919 175.800 -0.105 0.000 1.135 354 F CA -0.909 57.039 58.000 -0.087 0.000 0.915 354 F CB 1.607 40.588 39.000 -0.031 0.000 1.176 354 F HN -0.149 nan 8.300 nan 0.000 0.440 355 I N 4.052 124.541 120.570 -0.134 0.000 2.330 355 I HA 0.249 4.419 4.170 0.000 0.000 0.289 355 I C -0.840 174.908 176.117 -0.615 0.000 1.001 355 I CA -1.009 60.102 61.300 -0.315 0.000 1.193 355 I CB 0.815 38.611 38.000 -0.341 0.000 1.345 355 I HN 0.502 nan 8.210 nan 0.000 0.461 356 Y N 5.999 126.008 120.300 -0.484 0.000 2.330 356 Y HA 0.415 4.965 4.550 0.000 0.000 0.336 356 Y C -0.269 175.182 175.900 -0.749 0.000 1.036 356 Y CA -0.320 57.517 58.100 -0.440 0.000 1.125 356 Y CB 1.252 39.640 38.460 -0.121 0.000 1.194 356 Y HN 0.340 nan 8.280 nan 0.000 0.469 357 Y N 4.183 124.317 120.300 -0.276 0.000 2.361 357 Y HA 0.374 4.924 4.550 0.000 0.000 0.332 357 Y C -2.055 173.624 175.900 -0.369 0.000 1.101 357 Y CA -3.036 54.744 58.100 -0.534 0.000 1.137 357 Y CB 0.654 38.742 38.460 -0.620 0.000 1.207 357 Y HN 0.429 nan 8.280 nan 0.000 0.463 358 P HA -0.053 nan 4.420 nan 0.000 0.266 358 P C -0.410 176.730 177.300 -0.267 0.000 1.195 358 P CA 0.195 63.105 63.100 -0.315 0.000 0.768 358 P CB 0.981 32.450 31.700 -0.385 0.000 0.838 359 N N 0.790 119.305 118.700 -0.309 0.000 2.236 359 N HA 0.020 4.760 4.740 0.000 0.000 0.196 359 N C 0.512 175.990 175.510 -0.054 0.000 1.114 359 N CA 0.186 53.154 53.050 -0.137 0.000 0.859 359 N CB 0.169 38.603 38.487 -0.090 0.000 0.982 359 N HN 0.672 nan 8.380 nan 0.000 0.493 360 H N -1.456 117.563 119.070 -0.085 0.000 2.894 360 H HA 0.445 5.001 4.556 0.000 0.000 0.368 360 H C -0.884 174.277 175.328 -0.278 0.000 1.181 360 H CA -0.703 55.257 56.048 -0.147 0.000 1.146 360 H CB 0.949 30.618 29.762 -0.154 0.000 1.839 360 H HN -0.227 nan 8.280 nan 0.000 0.557 361 N N 0.383 119.000 118.700 -0.138 0.000 2.432 361 N HA 0.364 5.104 4.740 0.000 0.000 0.292 361 N C -1.116 174.264 175.510 -0.216 0.000 1.193 361 N CA -0.399 52.549 53.050 -0.170 0.000 0.878 361 N CB 2.033 40.507 38.487 -0.021 0.000 1.252 361 N HN 0.401 nan 8.380 nan 0.000 0.520 362 F N -0.055 119.986 119.950 0.152 0.000 2.507 362 F HA 0.216 4.743 4.527 0.000 0.000 0.325 362 F C 1.802 177.676 175.800 0.124 0.000 1.116 362 F CA -0.757 57.342 58.000 0.165 0.000 0.930 362 F CB 1.834 40.950 39.000 0.192 0.000 1.146 362 F HN 0.375 nan 8.300 nan 0.000 0.447 363 T N 0.758 115.503 114.554 0.319 0.000 2.653 363 T HA -0.314 4.036 4.350 0.000 0.000 0.267 363 T C 1.518 176.318 174.700 0.165 0.000 1.037 363 T CA 2.356 64.573 62.100 0.195 0.000 1.159 363 T CB -0.412 68.554 68.868 0.164 0.000 0.859 363 T HN 0.651 nan 8.240 nan 0.000 0.449 364 N N 1.107 119.921 118.700 0.190 0.000 2.571 364 N HA 0.193 4.933 4.740 0.000 0.000 0.189 364 N C 1.225 176.815 175.510 0.134 0.000 1.154 364 N CA 0.885 54.024 53.050 0.149 0.000 0.907 364 N CB -0.703 37.878 38.487 0.157 0.000 0.977 364 N HN 0.562 nan 8.380 nan 0.000 0.449 365 G N -1.438 107.450 108.800 0.147 0.000 2.159 365 G HA2 -0.278 3.682 3.960 0.000 0.000 0.256 365 G HA3 -0.278 3.682 3.960 0.000 0.000 0.256 365 G C -0.143 174.820 174.900 0.106 0.000 0.977 365 G CA 0.272 45.427 45.100 0.093 0.000 0.652 365 G HN 0.331 nan 8.290 nan 0.000 0.531 366 V N 0.511 120.545 119.914 0.200 0.000 2.811 366 V HA 0.610 4.730 4.120 0.000 0.000 0.302 366 V C 1.082 177.348 176.094 0.285 0.000 1.063 366 V CA 0.778 63.196 62.300 0.195 0.000 1.088 366 V CB 1.563 33.487 31.823 0.168 0.000 0.982 366 V HN 0.972 nan 8.190 nan 0.000 0.485 367 G N 2.935 111.863 108.800 0.213 0.000 2.662 367 G HA2 0.598 4.558 3.960 0.000 0.000 0.302 367 G HA3 0.598 4.558 3.960 0.000 0.000 0.302 367 G C -1.505 173.535 174.900 0.233 0.000 1.389 367 G CA -0.418 44.872 45.100 0.317 0.000 0.998 367 G HN 0.544 nan 8.290 nan 0.000 0.502 368 V N 3.483 123.466 119.914 0.116 0.000 2.384 368 V HA 0.495 4.615 4.120 0.000 0.000 0.287 368 V C 0.379 176.371 176.094 -0.170 0.000 1.020 368 V CA -0.640 61.640 62.300 -0.034 0.000 0.850 368 V CB 0.913 32.773 31.823 0.061 0.000 0.987 368 V HN 0.739 nan 8.190 nan 0.000 0.436 369 I N 3.206 123.590 120.570 -0.310 0.000 2.607 369 I HA 0.751 4.921 4.170 0.000 0.000 0.305 369 I C -0.740 175.154 176.117 -0.371 0.000 0.995 369 I CA -0.788 60.200 61.300 -0.519 0.000 1.148 369 I CB 1.913 39.444 38.000 -0.781 0.000 1.323 369 I HN 0.381 nan 8.210 nan 0.000 0.461 370 I N 3.399 123.724 120.570 -0.408 0.000 2.582 370 I HA 0.616 4.786 4.170 0.000 0.000 0.292 370 I C -0.194 175.742 176.117 -0.302 0.000 1.066 370 I CA -0.822 60.208 61.300 -0.451 0.000 1.053 370 I CB 2.054 39.769 38.000 -0.474 0.000 1.241 370 I HN 0.765 nan 8.210 nan 0.000 0.421 371 A N 5.518 128.140 122.820 -0.329 0.000 2.260 371 A HA 0.656 4.976 4.320 0.000 0.000 0.314 371 A C -1.480 176.062 177.584 -0.069 0.000 1.257 371 A CA -0.274 51.659 52.037 -0.173 0.000 0.871 371 A CB 0.516 19.367 19.000 -0.248 0.000 1.166 371 A HN 0.601 nan 8.150 nan 0.000 0.522 372 Y N 1.903 122.191 120.300 -0.021 0.000 2.346 372 Y HA 0.621 5.172 4.550 0.000 0.000 0.332 372 Y C -0.003 175.996 175.900 0.167 0.000 0.985 372 Y CA -1.058 57.052 58.100 0.017 0.000 1.112 372 Y CB 1.509 39.970 38.460 0.002 0.000 1.170 372 Y HN 0.854 nan 8.280 nan 0.000 0.447 373 G N 5.883 114.743 108.800 0.100 0.000 2.574 373 G HA2 0.673 4.633 3.960 0.000 0.000 0.299 373 G HA3 0.673 4.633 3.960 0.000 0.000 0.299 373 G C -1.512 173.351 174.900 -0.060 0.000 1.298 373 G CA -0.999 44.099 45.100 -0.003 0.000 0.952 373 G HN 0.872 nan 8.290 nan 0.000 0.477 374 I N -1.495 119.022 120.570 -0.088 0.000 3.002 374 I HA 0.900 5.070 4.170 0.000 0.000 0.310 374 I C 0.916 177.062 176.117 0.049 0.000 1.087 374 I CA -0.410 60.871 61.300 -0.032 0.000 1.017 374 I CB 1.878 39.782 38.000 -0.160 0.000 1.226 374 I HN 1.347 nan 8.210 nan 0.000 0.443 375 G N 2.746 111.602 108.800 0.093 0.000 2.582 375 G HA2 -0.305 3.655 3.960 0.000 0.000 0.288 375 G HA3 -0.305 3.655 3.960 0.000 0.000 0.288 375 G C 0.344 175.355 174.900 0.186 0.000 1.247 375 G CA 0.862 46.051 45.100 0.148 0.000 0.972 375 G HN 0.839 nan 8.290 nan 0.000 0.557 376 D N 0.744 121.269 120.400 0.209 0.000 2.221 376 D HA -0.023 4.617 4.640 0.000 0.000 0.204 376 D C 2.028 178.442 176.300 0.189 0.000 0.982 376 D CA 1.396 55.520 54.000 0.207 0.000 0.857 376 D CB -0.275 40.655 40.800 0.218 0.000 0.934 376 D HN 0.419 nan 8.370 nan 0.000 0.475 377 D N 0.144 120.638 120.400 0.156 0.000 2.144 377 D HA -0.085 4.555 4.640 0.000 0.000 0.199 377 D C 1.989 178.458 176.300 0.281 0.000 0.984 377 D CA 1.107 55.199 54.000 0.153 0.000 0.834 377 D CB -0.096 40.775 40.800 0.119 0.000 0.955 377 D HN 0.168 nan 8.370 nan 0.000 0.465 378 A N 1.150 124.134 122.820 0.274 0.000 1.897 378 A HA -0.133 4.187 4.320 0.000 0.000 0.215 378 A C 1.920 179.716 177.584 0.354 0.000 1.181 378 A CA 0.935 53.183 52.037 0.352 0.000 0.620 378 A CB -0.367 18.787 19.000 0.256 0.000 0.821 378 A HN 0.089 nan 8.150 nan 0.000 0.443 379 N N -0.697 118.157 118.700 0.257 0.000 2.348 379 N HA -0.159 4.582 4.740 0.000 0.000 0.185 379 N C 1.266 176.874 175.510 0.163 0.000 1.019 379 N CA 1.168 54.336 53.050 0.197 0.000 0.880 379 N CB -0.623 37.966 38.487 0.170 0.000 0.965 379 N HN 0.549 nan 8.380 nan 0.000 0.437 380 F N 0.781 120.739 119.950 0.013 0.000 2.120 380 F HA -0.165 4.362 4.527 0.000 0.000 0.300 380 F C 1.516 177.183 175.800 -0.223 0.000 1.095 380 F CA 1.429 59.326 58.000 -0.172 0.000 1.249 380 F CB -0.335 38.434 39.000 -0.385 0.000 0.995 380 F HN -0.086 nan 8.300 nan 0.000 0.480 381 F N -0.187 119.826 119.950 0.104 0.000 2.743 381 F HA 0.028 4.555 4.527 0.000 0.000 0.297 381 F C 2.365 178.148 175.800 -0.029 0.000 1.131 381 F CA 0.595 58.599 58.000 0.007 0.000 1.426 381 F CB -0.894 38.154 39.000 0.081 0.000 1.116 381 F HN 0.018 nan 8.300 nan 0.000 0.583 382 Q N 1.081 120.970 119.800 0.149 0.000 2.096 382 Q HA -0.268 4.072 4.340 0.000 0.000 0.208 382 Q C 2.181 178.207 176.000 0.044 0.000 0.993 382 Q CA 2.226 58.086 55.803 0.095 0.000 0.862 382 Q CB -0.214 28.571 28.738 0.078 0.000 0.915 382 Q HN 0.404 nan 8.270 nan 0.000 0.416 383 A N -0.404 122.410 122.820 -0.009 0.000 2.251 383 A HA 0.208 4.528 4.320 0.000 0.000 0.209 383 A C 0.445 178.019 177.584 -0.017 0.000 1.187 383 A CA -0.145 51.880 52.037 -0.020 0.000 0.823 383 A CB 0.050 19.020 19.000 -0.050 0.000 0.846 383 A HN 0.292 nan 8.150 nan 0.000 0.486 384 L N 1.547 122.766 121.223 -0.007 0.000 2.350 384 L HA 0.293 4.633 4.340 0.000 0.000 0.275 384 L C -0.014 176.896 176.870 0.067 0.000 1.099 384 L CA -1.003 53.847 54.840 0.016 0.000 0.808 384 L CB 0.804 42.873 42.059 0.017 0.000 1.149 384 L HN 0.378 nan 8.230 nan 0.000 0.442 385 D N 0.854 121.298 120.400 0.073 0.000 2.384 385 D HA -0.059 4.581 4.640 0.000 0.000 0.244 385 D C 0.935 177.330 176.300 0.157 0.000 1.251 385 D CA -0.282 53.788 54.000 0.116 0.000 0.961 385 D CB 0.549 41.414 40.800 0.109 0.000 1.116 385 D HN 0.406 nan 8.370 nan 0.000 0.484 386 F N 0.629 120.604 119.950 0.041 0.000 2.045 386 F HA -0.283 4.244 4.527 0.000 0.000 0.297 386 F C 2.137 177.977 175.800 0.067 0.000 1.114 386 F CA 2.033 60.059 58.000 0.043 0.000 1.207 386 F CB -0.058 38.965 39.000 0.039 0.000 0.964 386 F HN 0.156 nan 8.300 nan 0.000 0.486 387 K N 0.099 120.681 120.400 0.304 0.000 2.063 387 K HA -0.183 4.137 4.320 0.000 0.000 0.208 387 K C 1.746 178.420 176.600 0.123 0.000 1.048 387 K CA 1.772 58.188 56.287 0.214 0.000 0.928 387 K CB -0.931 31.692 32.500 0.204 0.000 0.713 387 K HN 0.360 nan 8.250 nan 0.000 0.442 388 D N 0.542 121.008 120.400 0.110 0.000 2.144 388 D HA -0.104 4.536 4.640 0.000 0.000 0.200 388 D C 2.081 178.455 176.300 0.123 0.000 0.978 388 D CA 0.713 54.774 54.000 0.102 0.000 0.833 388 D CB -0.392 40.455 40.800 0.078 0.000 0.961 388 D HN 0.123 nan 8.370 nan 0.000 0.470 389 C N 1.046 120.403 119.300 0.096 0.000 2.432 389 C HA -0.019 4.441 4.460 0.000 0.000 0.277 389 C C 2.926 177.912 174.990 -0.006 0.000 1.249 389 C CA 0.805 59.906 59.018 0.137 0.000 1.725 389 C CB -0.962 26.750 27.740 -0.046 0.000 2.028 389 C HN 0.369 nan 8.230 nan 0.000 0.477 390 A N 0.390 123.125 122.820 -0.142 0.000 1.902 390 A HA -0.245 4.075 4.320 0.000 0.000 0.217 390 A C 1.809 179.403 177.584 0.017 0.000 1.181 390 A CA 2.332 54.252 52.037 -0.196 0.000 0.623 390 A CB -0.782 18.122 19.000 -0.159 0.000 0.818 390 A HN 0.603 nan 8.150 nan 0.000 0.443 391 D N -0.197 120.309 120.400 0.176 0.000 2.123 391 D HA -0.145 4.495 4.640 0.000 0.000 0.196 391 D C 1.674 178.093 176.300 0.199 0.000 0.992 391 D CA 1.483 55.635 54.000 0.254 0.000 0.833 391 D CB -0.217 40.686 40.800 0.170 0.000 0.954 391 D HN 0.507 nan 8.370 nan 0.000 0.455 392 I N -0.487 120.188 120.570 0.175 0.000 2.179 392 I HA -0.234 3.936 4.170 0.000 0.000 0.242 392 I C 2.349 178.541 176.117 0.124 0.000 1.088 392 I CA 0.569 61.984 61.300 0.190 0.000 1.357 392 I CB -0.151 38.060 38.000 0.353 0.000 1.051 392 I HN -0.007 nan 8.210 nan 0.000 0.409 393 V N 0.374 120.309 119.914 0.037 0.000 2.407 393 V HA -0.282 3.838 4.120 0.000 0.000 0.248 393 V C 2.226 178.267 176.094 -0.087 0.000 1.055 393 V CA 1.916 64.159 62.300 -0.096 0.000 1.049 393 V CB -0.719 30.929 31.823 -0.292 0.000 0.662 393 V HN 0.279 nan 8.190 nan 0.000 0.455 394 F N 0.524 120.472 119.950 -0.003 0.000 2.102 394 F HA -0.171 4.356 4.527 0.000 0.000 0.298 394 F C 2.524 178.300 175.800 -0.040 0.000 1.105 394 F CA 1.593 59.581 58.000 -0.021 0.000 1.239 394 F CB -0.362 38.623 39.000 -0.024 0.000 0.991 394 F HN 0.201 nan 8.300 nan 0.000 0.474 395 N N 0.491 119.289 118.700 0.164 0.000 2.084 395 N HA -0.174 4.566 4.740 0.000 0.000 0.190 395 N C 1.356 176.856 175.510 -0.017 0.000 1.030 395 N CA 1.662 54.746 53.050 0.056 0.000 0.849 395 N CB -0.687 37.830 38.487 0.051 0.000 1.012 395 N HN 0.228 nan 8.380 nan 0.000 0.423 396 D N 0.807 121.197 120.400 -0.017 0.000 2.117 396 D HA -0.077 4.563 4.640 0.000 0.000 0.197 396 D C 2.193 178.428 176.300 -0.108 0.000 0.987 396 D CA 0.504 54.451 54.000 -0.089 0.000 0.829 396 D CB -0.419 40.353 40.800 -0.047 0.000 0.961 396 D HN 0.227 nan 8.370 nan 0.000 0.460 397 L N 0.426 121.650 121.223 0.001 0.000 2.083 397 L HA -0.158 4.182 4.340 0.000 0.000 0.209 397 L C 2.534 179.435 176.870 0.051 0.000 1.083 397 L CA 0.880 55.791 54.840 0.118 0.000 0.752 397 L CB -0.405 41.770 42.059 0.194 0.000 0.899 397 L HN 0.008 nan 8.230 nan 0.000 0.433 398 S N 0.045 115.728 115.700 -0.028 0.000 2.370 398 S HA -0.154 4.316 4.470 0.000 0.000 0.226 398 S C 1.945 176.440 174.600 -0.174 0.000 1.033 398 S CA 1.277 59.424 58.200 -0.087 0.000 1.011 398 S CB -0.105 63.048 63.200 -0.078 0.000 0.852 398 S HN 0.311 nan 8.310 nan 0.000 0.457 399 L N 0.472 121.517 121.223 -0.297 0.000 2.095 399 L HA 0.067 4.408 4.340 0.000 0.000 0.204 399 L C 2.354 178.788 176.870 -0.727 0.000 1.080 399 L CA 0.923 55.431 54.840 -0.553 0.000 0.759 399 L CB -0.444 41.108 42.059 -0.845 0.000 0.914 399 L HN 0.325 nan 8.230 nan 0.000 0.439 400 I N -0.764 119.423 120.570 -0.639 0.000 2.226 400 I HA -0.299 3.872 4.170 0.000 0.000 0.245 400 I C 2.038 177.695 176.117 -0.766 0.000 1.100 400 I CA 1.260 62.210 61.300 -0.583 0.000 1.374 400 I CB -0.301 37.519 38.000 -0.299 0.000 1.057 400 I HN 0.350 nan 8.210 nan 0.000 0.413 401 H N 0.299 119.193 119.070 -0.292 0.000 2.586 401 H HA 0.161 4.717 4.556 0.000 0.000 0.273 401 H C 0.227 175.424 175.328 -0.218 0.000 0.997 401 H CA 0.005 55.930 56.048 -0.206 0.000 1.177 401 H CB 0.367 30.243 29.762 0.189 0.000 1.471 401 H HN 0.346 nan 8.280 nan 0.000 0.538 402 Q N 0.899 120.574 119.800 -0.209 0.000 2.443 402 Q HA -0.173 4.167 4.340 0.000 0.000 0.337 402 Q C -1.146 174.814 176.000 -0.066 0.000 1.401 402 Q CA 0.200 55.911 55.803 -0.153 0.000 0.943 402 Q CB -1.106 27.526 28.738 -0.177 0.000 1.177 402 Q HN 0.420 nan 8.270 nan 0.000 0.394 403 L N 0.078 121.262 121.223 -0.065 0.000 2.388 403 L HA 0.623 4.963 4.340 0.000 0.000 0.264 403 L C -2.238 174.565 176.870 -0.112 0.000 0.998 403 L CA -2.424 52.374 54.840 -0.069 0.000 0.817 403 L CB 1.965 43.970 42.059 -0.091 0.000 1.338 403 L HN -0.021 nan 8.230 nan 0.000 0.414 404 P HA 0.023 nan 4.420 nan 0.000 0.268 404 P C 0.129 177.319 177.300 -0.183 0.000 1.204 404 P CA -0.062 62.957 63.100 -0.135 0.000 0.768 404 P CB 0.738 32.358 31.700 -0.132 0.000 0.842 405 K N 3.947 124.254 120.400 -0.155 0.000 2.074 405 K HA -0.233 4.087 4.320 0.000 0.000 0.209 405 K C 1.381 177.818 176.600 -0.272 0.000 1.048 405 K CA 1.712 57.897 56.287 -0.169 0.000 0.926 405 K CB -0.062 32.366 32.500 -0.121 0.000 0.713 405 K HN 0.270 nan 8.250 nan 0.000 0.444 406 K N 0.329 120.577 120.400 -0.253 0.000 2.103 406 K HA -0.167 4.153 4.320 0.000 0.000 0.207 406 K C 1.725 178.096 176.600 -0.381 0.000 1.048 406 K CA 1.785 57.900 56.287 -0.288 0.000 0.930 406 K CB -0.108 32.267 32.500 -0.209 0.000 0.716 406 K HN 0.243 nan 8.250 nan 0.000 0.444 407 D N 0.898 121.035 120.400 -0.439 0.000 2.097 407 D HA -0.120 4.521 4.640 0.000 0.000 0.195 407 D C 1.844 177.512 176.300 -1.053 0.000 0.989 407 D CA 1.035 54.574 54.000 -0.768 0.000 0.827 407 D CB -0.189 40.215 40.800 -0.659 0.000 0.966 407 D HN 0.165 nan 8.370 nan 0.000 0.456 408 I N 0.602 120.799 120.570 -0.621 0.000 2.286 408 I HA -0.251 3.919 4.170 0.000 0.000 0.248 408 I C 2.142 178.177 176.117 -0.136 0.000 1.115 408 I CA 1.016 62.123 61.300 -0.323 0.000 1.392 408 I CB -0.300 37.608 38.000 -0.153 0.000 1.065 408 I HN -0.004 nan 8.210 nan 0.000 0.418 409 Q N -0.327 119.216 119.800 -0.427 0.000 2.364 409 Q HA -0.144 4.196 4.340 0.000 0.000 0.207 409 Q C 2.267 178.138 176.000 -0.214 0.000 0.970 409 Q CA 1.297 56.758 55.803 -0.571 0.000 0.888 409 Q CB 0.012 28.302 28.738 -0.748 0.000 0.951 409 Q HN 0.393 nan 8.270 nan 0.000 0.469 410 S N -0.760 114.798 115.700 -0.237 0.000 2.460 410 S HA 0.007 4.477 4.470 0.000 0.000 0.226 410 S C 1.363 176.030 174.600 0.112 0.000 1.057 410 S CA 0.071 58.204 58.200 -0.112 0.000 0.948 410 S CB 0.080 63.146 63.200 -0.224 0.000 0.822 410 S HN 0.262 nan 8.310 nan 0.000 0.512 411 F N 2.191 122.191 119.950 0.082 0.000 2.234 411 F HA 0.223 4.750 4.527 0.000 0.000 0.299 411 F C 1.364 177.301 175.800 0.227 0.000 1.087 411 F CA -0.778 57.311 58.000 0.148 0.000 1.340 411 F CB -1.061 38.054 39.000 0.190 0.000 1.031 411 F HN 0.251 nan 8.300 nan 0.000 0.500 412 c N -1.942 116.936 118.600 0.464 0.000 3.044 412 c HA 0.719 5.289 4.570 0.000 0.000 0.315 412 c C -0.809 173.582 174.090 0.502 0.000 1.320 412 c CA -1.240 55.347 56.329 0.430 0.000 1.582 412 c CB 1.357 44.131 42.510 0.440 0.000 2.039 412 c HN 0.363 nan 8.230 nan 0.000 0.466 413 Y N -1.782 118.690 120.300 0.286 0.000 2.544 413 Y HA 0.674 5.224 4.550 0.000 0.000 0.342 413 Y C -3.317 172.708 175.900 0.208 0.000 1.062 413 Y CA -2.888 55.397 58.100 0.309 0.000 1.023 413 Y CB 0.582 39.173 38.460 0.219 0.000 1.308 413 Y HN 0.406 nan 8.280 nan 0.000 0.457 414 P HA 0.125 nan 4.420 nan 0.000 0.269 414 P C 0.338 177.799 177.300 0.268 0.000 1.263 414 P CA 0.303 63.430 63.100 0.046 0.000 0.813 414 P CB 1.141 32.843 31.700 0.004 0.000 0.868 415 S N 2.303 117.981 115.700 -0.036 0.000 2.441 415 S HA 0.169 4.639 4.470 0.000 0.000 0.224 415 S C 0.585 175.297 174.600 0.188 0.000 1.043 415 S CA 0.304 58.576 58.200 0.119 0.000 0.948 415 S CB -0.046 63.053 63.200 -0.168 0.000 0.810 415 S HN 0.213 nan 8.310 nan 0.000 0.504 416 V N 1.113 121.101 119.914 0.123 0.000 3.048 416 V HA 0.539 4.659 4.120 0.000 0.000 0.303 416 V C -1.341 174.868 176.094 0.191 0.000 1.214 416 V CA -0.838 61.485 62.300 0.039 0.000 0.984 416 V CB 1.968 33.529 31.823 -0.435 0.000 1.054 416 V HN 0.375 nan 8.190 nan 0.000 0.430 417 I N 2.821 123.503 120.570 0.187 0.000 2.512 417 I HA 0.486 4.656 4.170 0.000 0.000 0.287 417 I C -1.070 175.060 176.117 0.022 0.000 1.069 417 I CA -0.536 60.798 61.300 0.058 0.000 1.056 417 I CB 2.194 40.130 38.000 -0.107 0.000 1.229 417 I HN 0.643 nan 8.210 nan 0.000 0.429 418 Q N 6.575 126.370 119.800 -0.008 0.000 2.381 418 Q HA 0.359 4.699 4.340 0.000 0.000 0.263 418 Q C -1.327 174.518 176.000 -0.258 0.000 1.030 418 Q CA -0.423 55.249 55.803 -0.218 0.000 0.772 418 Q CB 1.185 29.756 28.738 -0.279 0.000 1.232 418 Q HN 0.386 nan 8.270 nan 0.000 0.476 419 K N 3.784 124.044 120.400 -0.234 0.000 2.300 419 K HA 0.142 4.462 4.320 0.000 0.000 0.264 419 K C -0.145 176.384 176.600 -0.118 0.000 1.083 419 K CA -0.228 56.006 56.287 -0.088 0.000 0.958 419 K CB 0.497 32.992 32.500 -0.010 0.000 1.318 419 K HN 0.713 nan 8.250 nan 0.000 0.448 420 W N 1.006 122.351 121.300 0.075 0.000 2.350 420 W HA -0.182 4.478 4.660 0.000 0.000 0.289 420 W C 1.904 178.449 176.519 0.042 0.000 1.215 420 W CA 0.813 58.196 57.345 0.063 0.000 1.236 420 W CB 0.095 29.600 29.460 0.074 0.000 1.130 420 W HN 0.469 nan 8.180 nan 0.000 0.541 421 S N 0.245 116.087 115.700 0.236 0.000 2.469 421 S HA -0.073 4.397 4.470 0.000 0.000 0.238 421 S C 1.468 176.112 174.600 0.073 0.000 0.998 421 S CA 0.749 59.033 58.200 0.139 0.000 0.957 421 S CB -0.284 62.989 63.200 0.121 0.000 0.764 421 S HN 0.218 nan 8.310 nan 0.000 0.514 422 L N 0.866 122.118 121.223 0.048 0.000 2.667 422 L HA 0.248 4.588 4.340 0.000 0.000 0.232 422 L C 0.232 177.084 176.870 -0.030 0.000 1.138 422 L CA -0.135 54.705 54.840 -0.001 0.000 0.921 422 L CB -0.230 41.821 42.059 -0.013 0.000 1.180 422 L HN 0.125 nan 8.230 nan 0.000 0.487 423 D N 1.260 121.666 120.400 0.009 0.000 2.371 423 D HA -0.020 4.620 4.640 0.000 0.000 0.256 423 D C 1.482 177.758 176.300 -0.040 0.000 1.193 423 D CA -0.071 53.932 54.000 0.005 0.000 0.881 423 D CB 0.979 41.894 40.800 0.191 0.000 1.143 423 D HN 0.179 nan 8.370 nan 0.000 0.473 424 K N 2.353 122.646 120.400 -0.178 0.000 2.218 424 K HA -0.259 4.061 4.320 0.000 0.000 0.205 424 K C 0.740 177.096 176.600 -0.406 0.000 1.046 424 K CA 1.448 57.527 56.287 -0.346 0.000 0.933 424 K CB -0.222 31.945 32.500 -0.555 0.000 0.728 424 K HN 0.574 nan 8.250 nan 0.000 0.454 425 Y N 0.162 120.496 120.300 0.057 0.000 2.464 425 Y HA 0.261 4.811 4.550 0.000 0.000 0.288 425 Y C 2.724 178.654 175.900 0.051 0.000 1.133 425 Y CA 0.096 58.230 58.100 0.058 0.000 1.223 425 Y CB 0.126 38.631 38.460 0.076 0.000 1.187 425 Y HN 0.123 nan 8.280 nan 0.000 0.539 426 A N 0.272 123.222 122.820 0.217 0.000 1.897 426 A HA -0.120 4.200 4.320 0.000 0.000 0.215 426 A C 1.537 179.103 177.584 -0.031 0.000 1.181 426 A CA 1.610 53.722 52.037 0.126 0.000 0.620 426 A CB -0.633 18.497 19.000 0.216 0.000 0.821 426 A HN 0.546 nan 8.150 nan 0.000 0.443 427 M N -2.990 116.599 119.600 -0.018 0.000 2.856 427 M HA -0.205 4.275 4.480 0.000 0.000 0.189 427 M C 0.423 176.611 176.300 -0.186 0.000 0.612 427 M CA 0.730 55.973 55.300 -0.096 0.000 0.673 427 M CB -2.193 30.333 32.600 -0.124 0.000 2.440 427 M HN 0.896 nan 8.290 nan 0.000 0.437 428 G N -1.712 106.999 108.800 -0.147 0.000 2.489 428 G HA2 0.542 4.502 3.960 0.000 0.000 0.291 428 G HA3 0.542 4.502 3.960 0.000 0.000 0.291 428 G C 0.005 174.960 174.900 0.092 0.000 1.487 428 G CA -0.292 44.716 45.100 -0.153 0.000 0.795 428 G HN 0.258 nan 8.290 nan 0.000 0.513 429 G N -0.866 108.067 108.800 0.222 0.000 2.670 429 G HA2 0.430 4.390 3.960 0.000 0.000 0.219 429 G HA3 0.430 4.390 3.960 0.000 0.000 0.219 429 G C 0.313 175.314 174.900 0.168 0.000 1.342 429 G CA 0.311 45.545 45.100 0.225 0.000 0.902 429 G HN 0.692 nan 8.290 nan 0.000 0.553 430 I N 0.862 121.531 120.570 0.164 0.000 2.498 430 I HA 0.243 4.413 4.170 0.000 0.000 0.290 430 I C -0.466 175.580 176.117 -0.118 0.000 1.032 430 I CA -0.629 60.691 61.300 0.033 0.000 1.073 430 I CB 2.421 40.392 38.000 -0.048 0.000 1.251 430 I HN -0.020 nan 8.210 nan 0.000 0.426 431 T N 4.113 118.431 114.554 -0.393 0.000 2.866 431 T HA 0.079 4.429 4.350 0.000 0.000 0.293 431 T C 0.037 174.476 174.700 -0.435 0.000 1.005 431 T CA 0.482 62.062 62.100 -0.867 0.000 1.162 431 T CB -0.144 68.220 68.868 -0.840 0.000 0.968 431 T HN 0.580 nan 8.240 nan 0.000 0.530 432 T N 4.687 119.095 114.554 -0.243 0.000 3.089 432 T HA 0.313 4.663 4.350 0.000 0.000 0.340 432 T C -0.063 174.841 174.700 0.341 0.000 1.008 432 T CA -0.535 61.621 62.100 0.094 0.000 1.096 432 T CB 0.132 69.106 68.868 0.177 0.000 1.024 432 T HN 0.470 nan 8.240 nan 0.000 0.477 433 F N 3.189 123.145 119.950 0.011 0.000 2.538 433 F HA 0.202 4.729 4.527 0.000 0.000 0.371 433 F C 1.809 177.705 175.800 0.160 0.000 1.087 433 F CA -0.663 57.335 58.000 -0.003 0.000 1.250 433 F CB 0.800 39.580 39.000 -0.367 0.000 1.110 433 F HN 0.429 nan 8.300 nan 0.000 0.570 434 T N 1.742 116.482 114.554 0.310 0.000 2.862 434 T HA 0.305 4.655 4.350 0.000 0.000 0.276 434 T C -2.656 172.211 174.700 0.278 0.000 0.974 434 T CA -2.414 59.840 62.100 0.256 0.000 0.966 434 T CB 1.132 70.087 68.868 0.144 0.000 1.072 434 T HN 0.172 nan 8.240 nan 0.000 0.538 435 P HA 0.027 nan 4.420 nan 0.000 0.263 435 P C -0.308 177.182 177.300 0.316 0.000 1.175 435 P CA 0.571 63.826 63.100 0.259 0.000 0.761 435 P CB -0.252 31.605 31.700 0.263 0.000 0.794 436 Y N -0.426 119.940 120.300 0.111 0.000 4.779 436 Y HA -0.332 4.218 4.550 0.000 0.000 0.284 436 Y C 1.892 177.752 175.900 -0.066 0.000 0.973 436 Y CA 1.405 59.506 58.100 0.002 0.000 1.792 436 Y CB -2.150 36.237 38.460 -0.121 0.000 1.120 436 Y HN 0.457 nan 8.280 nan 0.000 0.450 437 Q N -0.525 119.319 119.800 0.073 0.000 2.167 437 Q HA -0.117 4.223 4.340 0.000 0.000 0.202 437 Q C 1.629 177.540 176.000 -0.149 0.000 0.970 437 Q CA 1.712 57.399 55.803 -0.193 0.000 0.855 437 Q CB -0.287 28.243 28.738 -0.347 0.000 0.911 437 Q HN 0.610 nan 8.270 nan 0.000 0.438 438 F N 1.830 121.937 119.950 0.261 0.000 2.075 438 F HA -0.236 4.291 4.527 0.000 0.000 0.297 438 F C 2.725 178.646 175.800 0.201 0.000 1.113 438 F CA 1.745 59.993 58.000 0.415 0.000 1.218 438 F CB -0.186 39.030 39.000 0.361 0.000 0.984 438 F HN 0.151 nan 8.300 nan 0.000 0.472 439 Q N -1.151 118.833 119.800 0.307 0.000 2.230 439 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 439 Q C 1.616 177.690 176.000 0.124 0.000 0.963 439 Q CA 1.788 57.700 55.803 0.183 0.000 0.866 439 Q CB -0.656 28.158 28.738 0.126 0.000 0.931 439 Q HN 0.469 nan 8.270 nan 0.000 0.452 440 H N -0.415 118.575 119.070 -0.133 0.000 2.465 440 H HA 0.170 4.726 4.556 0.000 0.000 0.289 440 H C 0.688 175.822 175.328 -0.324 0.000 1.022 440 H CA 0.880 56.717 56.048 -0.353 0.000 1.340 440 H CB 0.210 29.546 29.762 -0.710 0.000 1.437 440 H HN 0.284 nan 8.280 nan 0.000 0.539 441 F N -1.529 118.345 119.950 -0.126 0.000 2.727 441 F HA 0.138 4.666 4.527 0.000 0.000 0.302 441 F C 2.341 178.094 175.800 -0.078 0.000 1.107 441 F CA -0.074 57.786 58.000 -0.232 0.000 1.277 441 F CB 0.428 39.201 39.000 -0.377 0.000 1.079 441 F HN -0.014 nan 8.300 nan 0.000 0.594 442 S N 0.672 116.512 115.700 0.233 0.000 2.359 442 S HA -0.224 4.246 4.470 0.000 0.000 0.223 442 S C 1.486 176.198 174.600 0.187 0.000 1.039 442 S CA 1.957 60.335 58.200 0.296 0.000 1.042 442 S CB -0.320 63.096 63.200 0.360 0.000 0.915 442 S HN 0.332 nan 8.310 nan 0.000 0.439 443 D N 0.934 121.413 120.400 0.131 0.000 2.097 443 D HA -0.025 4.615 4.640 0.000 0.000 0.195 443 D C -0.645 175.683 176.300 0.045 0.000 0.989 443 D CA 1.108 55.158 54.000 0.084 0.000 0.827 443 D CB -1.798 39.041 40.800 0.065 0.000 0.966 443 D HN 0.319 nan 8.370 nan 0.000 0.456 444 P HA -0.056 nan 4.420 nan 0.000 0.218 444 P C 1.669 178.927 177.300 -0.071 0.000 1.148 444 P CA 0.750 63.831 63.100 -0.032 0.000 0.822 444 P CB 0.030 31.709 31.700 -0.035 0.000 0.784 445 L N -1.206 120.019 121.223 0.002 0.000 2.109 445 L HA -0.091 4.249 4.340 0.000 0.000 0.207 445 L C 2.374 179.251 176.870 0.012 0.000 1.086 445 L CA 2.035 56.898 54.840 0.039 0.000 0.760 445 L CB -1.432 40.759 42.059 0.220 0.000 0.910 445 L HN 0.121 nan 8.230 nan 0.000 0.437 446 T N -2.516 112.066 114.554 0.047 0.000 3.043 446 T HA 0.207 4.557 4.350 0.000 0.000 0.263 446 T C 0.986 175.730 174.700 0.074 0.000 1.094 446 T CA 0.254 62.391 62.100 0.062 0.000 1.127 446 T CB -0.213 68.704 68.868 0.080 0.000 0.905 446 T HN 0.184 nan 8.240 nan 0.000 0.490 447 A N 2.439 125.274 122.820 0.025 0.000 2.531 447 A HA 0.513 4.833 4.320 0.000 0.000 0.236 447 A C 0.853 178.462 177.584 0.041 0.000 1.062 447 A CA -0.215 51.833 52.037 0.017 0.000 0.760 447 A CB -0.043 18.945 19.000 -0.018 0.000 0.995 447 A HN 0.719 nan 8.150 nan 0.000 0.501 448 S N 1.425 117.116 115.700 -0.014 0.000 2.672 448 S HA 0.563 5.033 4.470 0.000 0.000 0.276 448 S C -0.287 174.261 174.600 -0.087 0.000 1.207 448 S CA -0.568 57.551 58.200 -0.135 0.000 1.002 448 S CB 1.251 64.036 63.200 -0.692 0.000 0.998 448 S HN 0.796 nan 8.310 nan 0.000 0.542 449 Q N 0.475 120.240 119.800 -0.058 0.000 2.414 449 Q HA 0.491 4.831 4.340 0.000 0.000 0.256 449 Q C 0.539 176.524 176.000 -0.025 0.000 0.974 449 Q CA 0.175 55.970 55.803 -0.013 0.000 0.723 449 Q CB 0.391 29.157 28.738 0.047 0.000 1.281 449 Q HN 1.311 nan 8.270 nan 0.000 0.470 450 G N 3.242 112.021 108.800 -0.035 0.000 2.565 450 G HA2 -0.381 3.579 3.960 0.000 0.000 0.295 450 G HA3 -0.381 3.579 3.960 0.000 0.000 0.295 450 G C 0.275 175.194 174.900 0.032 0.000 1.165 450 G CA 0.314 45.421 45.100 0.012 0.000 0.977 450 G HN 0.662 nan 8.290 nan 0.000 0.546 451 R N 0.132 120.693 120.500 0.101 0.000 2.388 451 R HA 0.404 4.744 4.340 0.000 0.000 0.247 451 R C 0.460 176.942 176.300 0.303 0.000 0.931 451 R CA -0.010 56.257 56.100 0.277 0.000 1.082 451 R CB 0.095 30.445 30.300 0.083 0.000 1.135 451 R HN 0.423 nan 8.270 nan 0.000 0.525 452 I N 1.266 121.886 120.570 0.084 0.000 2.312 452 I HA 0.232 4.402 4.170 0.000 0.000 0.290 452 I C -0.641 175.384 176.117 -0.153 0.000 1.008 452 I CA -0.742 60.576 61.300 0.030 0.000 1.226 452 I CB 0.700 38.727 38.000 0.046 0.000 1.371 452 I HN -0.081 nan 8.210 nan 0.000 0.468 453 Y N 5.559 125.762 120.300 -0.162 0.000 2.567 453 Y HA 0.621 5.172 4.550 0.000 0.000 0.333 453 Y C -0.468 175.217 175.900 -0.359 0.000 1.106 453 Y CA -0.850 57.197 58.100 -0.088 0.000 1.157 453 Y CB 1.516 39.957 38.460 -0.033 0.000 1.277 453 Y HN 0.263 nan 8.280 nan 0.000 0.490 454 F N 0.473 120.526 119.950 0.171 0.000 2.565 454 F HA 0.810 5.337 4.527 0.000 0.000 0.313 454 F C -0.059 175.754 175.800 0.021 0.000 1.091 454 F CA -0.861 57.202 58.000 0.104 0.000 0.915 454 F CB 1.881 40.939 39.000 0.095 0.000 1.208 454 F HN 0.533 nan 8.300 nan 0.000 0.453 455 A N 1.229 124.124 122.820 0.126 0.000 2.569 455 A HA 1.002 5.322 4.320 0.000 0.000 0.290 455 A C -0.375 177.161 177.584 -0.080 0.000 1.136 455 A CA -0.372 51.659 52.037 -0.010 0.000 0.710 455 A CB 1.701 20.699 19.000 -0.003 0.000 1.303 455 A HN 1.736 nan 8.150 nan 0.000 0.413 456 G N -0.881 107.847 108.800 -0.120 0.000 2.362 456 G HA2 0.263 4.223 3.960 0.000 0.000 0.656 456 G HA3 0.263 4.223 3.960 0.000 0.000 0.656 456 G C 0.306 175.132 174.900 -0.123 0.000 1.376 456 G CA 0.378 45.432 45.100 -0.077 0.000 0.971 456 G HN 1.155 nan 8.290 nan 0.000 0.636 457 E N -0.696 119.516 120.200 0.019 0.000 2.086 457 E HA -0.302 4.048 4.350 0.000 0.000 0.200 457 E C 2.100 178.745 176.600 0.074 0.000 1.012 457 E CA 2.643 59.080 56.400 0.062 0.000 0.812 457 E CB -0.309 29.447 29.700 0.093 0.000 0.743 457 E HN 0.858 nan 8.360 nan 0.000 0.453 458 Y N 0.230 120.563 120.300 0.054 0.000 2.483 458 Y HA -0.055 4.495 4.550 0.000 0.000 0.291 458 Y C 2.169 178.160 175.900 0.151 0.000 1.143 458 Y CA 1.365 59.466 58.100 0.001 0.000 1.289 458 Y CB -0.848 37.645 38.460 0.055 0.000 0.983 458 Y HN 0.056 nan 8.280 nan 0.000 0.556 459 T N -2.086 112.212 114.554 -0.426 0.000 3.060 459 T HA 0.524 4.874 4.350 0.000 0.000 0.249 459 T C 0.909 175.587 174.700 -0.038 0.000 1.079 459 T CA 0.028 61.992 62.100 -0.226 0.000 1.013 459 T CB -0.504 68.162 68.868 -0.337 0.000 0.975 459 T HN 0.475 nan 8.240 nan 0.000 0.518 460 A N 1.276 124.091 122.820 -0.009 0.000 2.332 460 A HA 0.400 4.720 4.320 0.000 0.000 0.258 460 A C 1.372 178.949 177.584 -0.011 0.000 1.087 460 A CA -0.472 51.562 52.037 -0.004 0.000 0.802 460 A CB 0.333 19.337 19.000 0.007 0.000 1.042 460 A HN 0.432 nan 8.150 nan 0.000 0.489 461 Q N -0.323 119.454 119.800 -0.037 0.000 2.224 461 Q HA 0.030 4.370 4.340 0.000 0.000 0.203 461 Q C 0.600 176.500 176.000 -0.166 0.000 0.970 461 Q CA 1.273 57.047 55.803 -0.049 0.000 0.865 461 Q CB -0.045 28.681 28.738 -0.019 0.000 0.922 461 Q HN 0.795 nan 8.270 nan 0.000 0.445 462 A N 0.438 123.154 122.820 -0.174 0.000 2.365 462 A HA 0.523 4.843 4.320 0.000 0.000 0.318 462 A C -1.277 176.222 177.584 -0.141 0.000 1.091 462 A CA -0.794 51.118 52.037 -0.209 0.000 0.763 462 A CB 0.809 19.786 19.000 -0.039 0.000 1.248 462 A HN 0.140 nan 8.150 nan 0.000 0.442 463 H N 0.199 119.273 119.070 0.007 0.000 2.463 463 H HA 0.550 5.106 4.556 0.000 0.000 0.332 463 H C 1.083 176.422 175.328 0.018 0.000 1.127 463 H CA 0.169 56.196 56.048 -0.036 0.000 1.238 463 H CB 1.565 31.229 29.762 -0.162 0.000 1.478 463 H HN 1.520 nan 8.280 nan 0.000 0.499 464 G N 1.544 110.362 108.800 0.030 0.000 2.132 464 G HA2 -0.221 3.739 3.960 0.000 0.000 0.234 464 G HA3 -0.221 3.739 3.960 0.000 0.000 0.234 464 G C -0.740 173.777 174.900 -0.637 0.000 0.989 464 G CA -0.291 44.642 45.100 -0.279 0.000 0.676 464 G HN 0.571 nan 8.290 nan 0.000 0.522 465 W N -1.026 120.334 121.300 0.101 0.000 2.900 465 W HA 0.660 5.320 4.660 0.000 0.000 0.336 465 W C 1.228 177.758 176.519 0.017 0.000 1.064 465 W CA -1.181 56.221 57.345 0.094 0.000 1.237 465 W CB 0.725 30.264 29.460 0.132 0.000 1.391 465 W HN -0.053 nan 8.180 nan 0.000 0.468 466 I N 1.028 121.749 120.570 0.251 0.000 2.194 466 I HA -0.337 3.833 4.170 0.000 0.000 0.246 466 I C 2.009 178.187 176.117 0.102 0.000 1.093 466 I CA 1.922 63.303 61.300 0.135 0.000 1.355 466 I CB -0.208 37.870 38.000 0.129 0.000 1.046 466 I HN 0.579 nan 8.210 nan 0.000 0.413 467 D N 0.151 120.607 120.400 0.094 0.000 2.106 467 D HA -0.235 4.405 4.640 0.000 0.000 0.191 467 D C 2.310 178.585 176.300 -0.041 0.000 0.997 467 D CA 1.823 55.803 54.000 -0.035 0.000 0.834 467 D CB 0.031 40.606 40.800 -0.374 0.000 0.956 467 D HN 0.103 nan 8.370 nan 0.000 0.448 468 S N -1.687 113.976 115.700 -0.061 0.000 2.383 468 S HA -0.120 4.351 4.470 0.000 0.000 0.227 468 S C 1.948 176.536 174.600 -0.020 0.000 1.026 468 S CA 1.662 59.842 58.200 -0.033 0.000 0.981 468 S CB -0.499 62.697 63.200 -0.007 0.000 0.818 468 S HN 0.326 nan 8.310 nan 0.000 0.472 469 T N 2.387 116.949 114.554 0.013 0.000 2.746 469 T HA 0.008 4.358 4.350 0.000 0.000 0.267 469 T C 1.682 176.361 174.700 -0.034 0.000 1.039 469 T CA 1.451 63.548 62.100 -0.004 0.000 1.142 469 T CB -0.340 68.539 68.868 0.017 0.000 0.866 469 T HN 0.376 nan 8.240 nan 0.000 0.444 470 I N 0.698 121.254 120.570 -0.023 0.000 2.163 470 I HA -0.190 3.980 4.170 0.000 0.000 0.243 470 I C 2.685 178.758 176.117 -0.074 0.000 1.085 470 I CA 1.315 62.593 61.300 -0.037 0.000 1.347 470 I CB -0.311 37.692 38.000 0.005 0.000 1.044 470 I HN 0.180 nan 8.210 nan 0.000 0.408 471 K N 0.794 121.130 120.400 -0.107 0.000 2.103 471 K HA -0.216 4.104 4.320 0.000 0.000 0.207 471 K C 2.323 178.689 176.600 -0.389 0.000 1.048 471 K CA 1.896 58.012 56.287 -0.286 0.000 0.930 471 K CB -0.058 32.288 32.500 -0.256 0.000 0.716 471 K HN 0.412 nan 8.250 nan 0.000 0.444 472 S N -0.675 114.893 115.700 -0.219 0.000 2.402 472 S HA -0.080 4.390 4.470 0.000 0.000 0.229 472 S C 2.102 176.621 174.600 -0.134 0.000 1.021 472 S CA 1.133 59.227 58.200 -0.177 0.000 0.974 472 S CB -0.460 62.672 63.200 -0.113 0.000 0.800 472 S HN 0.411 nan 8.310 nan 0.000 0.484 473 G N 1.779 110.516 108.800 -0.105 0.000 2.394 473 G HA2 0.061 4.021 3.960 0.000 0.000 0.215 473 G HA3 0.061 4.021 3.960 0.000 0.000 0.215 473 G C 1.474 176.347 174.900 -0.045 0.000 1.165 473 G CA 0.710 45.774 45.100 -0.059 0.000 0.784 473 G HN 0.509 nan 8.290 nan 0.000 0.535 474 L N -0.138 121.048 121.223 -0.061 0.000 2.141 474 L HA 0.015 4.355 4.340 0.000 0.000 0.209 474 L C 2.880 179.815 176.870 0.108 0.000 1.094 474 L CA 0.979 55.850 54.840 0.052 0.000 0.763 474 L CB -0.366 41.775 42.059 0.136 0.000 0.908 474 L HN 0.196 nan 8.230 nan 0.000 0.437 475 R N 0.658 121.079 120.500 -0.132 0.000 2.073 475 R HA -0.163 4.177 4.340 0.000 0.000 0.234 475 R C 2.380 178.731 176.300 0.086 0.000 1.134 475 R CA 1.512 57.629 56.100 0.029 0.000 0.952 475 R CB -0.232 29.956 30.300 -0.187 0.000 0.850 475 R HN 0.300 nan 8.270 nan 0.000 0.433 476 A N 0.792 123.622 122.820 0.017 0.000 1.902 476 A HA -0.096 4.224 4.320 0.000 0.000 0.217 476 A C 2.369 179.869 177.584 -0.140 0.000 1.181 476 A CA 1.698 53.734 52.037 -0.001 0.000 0.623 476 A CB -0.783 18.230 19.000 0.022 0.000 0.818 476 A HN 0.563 nan 8.150 nan 0.000 0.443 477 A N -0.333 122.436 122.820 -0.086 0.000 1.902 477 A HA -0.184 4.136 4.320 0.000 0.000 0.217 477 A C 2.278 179.790 177.584 -0.120 0.000 1.181 477 A CA 1.760 53.725 52.037 -0.120 0.000 0.623 477 A CB -0.533 18.452 19.000 -0.025 0.000 0.818 477 A HN 0.551 nan 8.150 nan 0.000 0.443 478 R N -0.402 120.100 120.500 0.002 0.000 2.081 478 R HA -0.174 4.166 4.340 0.000 0.000 0.235 478 R C 1.362 177.624 176.300 -0.064 0.000 1.131 478 R CA 1.894 58.003 56.100 0.015 0.000 0.960 478 R CB -0.390 29.989 30.300 0.133 0.000 0.856 478 R HN 0.455 nan 8.270 nan 0.000 0.436 479 D N -0.082 120.274 120.400 -0.073 0.000 2.117 479 D HA -0.123 4.517 4.640 0.000 0.000 0.197 479 D C 1.945 178.033 176.300 -0.353 0.000 0.987 479 D CA 1.063 55.003 54.000 -0.100 0.000 0.829 479 D CB -0.141 40.694 40.800 0.059 0.000 0.961 479 D HN 0.097 nan 8.370 nan 0.000 0.460 480 V N 1.199 120.720 119.914 -0.655 0.000 2.358 480 V HA -0.221 3.899 4.120 0.000 0.000 0.246 480 V C 2.201 177.912 176.094 -0.639 0.000 1.047 480 V CA 1.520 63.251 62.300 -0.949 0.000 1.035 480 V CB -0.530 30.715 31.823 -0.963 0.000 0.658 480 V HN 0.136 nan 8.190 nan 0.000 0.452 481 N N 0.262 118.728 118.700 -0.390 0.000 2.120 481 N HA -0.138 4.602 4.740 0.000 0.000 0.188 481 N C 1.664 177.114 175.510 -0.100 0.000 1.024 481 N CA 1.596 54.532 53.050 -0.190 0.000 0.852 481 N CB -0.273 38.182 38.487 -0.053 0.000 1.003 481 N HN 0.436 nan 8.380 nan 0.000 0.424 482 L N -0.389 120.771 121.223 -0.106 0.000 2.056 482 L HA -0.048 4.292 4.340 0.000 0.000 0.207 482 L C 2.363 179.212 176.870 -0.035 0.000 1.078 482 L CA 1.183 55.996 54.840 -0.045 0.000 0.749 482 L CB -0.589 41.455 42.059 -0.024 0.000 0.901 482 L HN 0.200 nan 8.230 nan 0.000 0.433 483 A N 0.071 122.834 122.820 -0.095 0.000 1.972 483 A HA -0.194 4.126 4.320 0.000 0.000 0.219 483 A C 2.489 180.102 177.584 0.048 0.000 1.169 483 A CA 1.769 53.793 52.037 -0.022 0.000 0.635 483 A CB -0.585 18.373 19.000 -0.070 0.000 0.810 483 A HN 0.527 nan 8.150 nan 0.000 0.446 484 S N -0.227 115.456 115.700 -0.027 0.000 2.453 484 S HA -0.123 4.348 4.470 0.000 0.000 0.231 484 S C 1.495 176.173 174.600 0.130 0.000 1.005 484 S CA 1.188 59.470 58.200 0.137 0.000 0.949 484 S CB -0.297 63.003 63.200 0.168 0.000 0.774 484 S HN 0.700 nan 8.310 nan 0.000 0.510 485 E N 1.575 121.823 120.200 0.080 0.000 2.033 485 E HA 0.028 4.379 4.350 0.000 0.000 0.189 485 E C 1.077 177.716 176.600 0.066 0.000 0.979 485 E CA 0.375 56.814 56.400 0.065 0.000 0.802 485 E CB -0.252 29.473 29.700 0.041 0.000 0.763 485 E HN 0.615 nan 8.360 nan 0.000 0.449 486 N N 0.000 118.741 118.700 0.068 0.000 1.763 486 N HA 0.000 4.740 4.740 0.000 0.000 0.220 486 N CA 0.000 53.091 53.050 0.069 0.000 0.885 486 N CB 0.000 38.531 38.487 0.073 0.000 1.341 486 N HN 0.000 nan 8.380 nan 0.000 0.667