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 2o2c_1_A DATA FIRST_RESID 43 DATA SEQUENCE GADADTTLTS CASWTQLQKL YEQYGDEPIK KHFETDSERG QRYSVKVSLG DATA SEQUENCE SKDENFLFLD YSKSHINDEI KCALLRLAEE RGIRQFVQSV FRGERVNTTE DATA SEQUENCE NRPVLHIALR NRSNRPIYVD GKDVMPAVNK VLDQMRSFSE KVRTGEWKGH DATA SEQUENCE TGKAIRHVVN IGIGGSDLGP VMATEALKPF SQRDLSLHFV SNVDGTHIAE DATA SEQUENCE VLKSIDIEAT LFIVASKTFT TQETITNALS ARRALLDYLR SRGIDEKGSV DATA SEQUENCE AKHFVALSTN NQKVKEFGID EENMFQFWDW VGGRYSMWSA IGLPIMISIG DATA SEQUENCE YENFVELLTG AHVIDEHFAN APPEQNVPLL LALVGVWYIN FFGAVTHAIL DATA SEQUENCE PYDQYLWRLP AYLQQLDMES NGKYVTRSGK TVSTLTGPII FGEAGTNGQH DATA SEQUENCE AFYQLIHQGT NLIPCDFIGA IQSQNKIGDH HKIFMSNFFA QTEALMIGKS DATA SEQUENCE PSEVRRELEA AGERSAEKIN ALLPHKTFIG GRPSNTLLIK SLTPRALGAI DATA SEQUENCE IAMYEHKVLV QGAIWGIDSY DQWGVELGKV LAKSILPQLR PGMRVNNHDS DATA SEQUENCE STNGLINMFN ELSH 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 43 G HA2 0.000 nan 3.960 nan 0.000 0.244 43 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 43 G C 0.000 174.858 174.900 -0.070 0.000 0.946 43 G CA 0.000 45.049 45.100 -0.085 0.000 0.502 44 A N -0.470 122.306 122.820 -0.074 0.000 2.257 44 A HA 0.643 4.963 4.320 -0.001 0.000 0.290 44 A C -0.223 177.327 177.584 -0.057 0.000 1.201 44 A CA -0.121 51.882 52.037 -0.058 0.000 0.863 44 A CB -0.050 18.919 19.000 -0.051 0.000 1.256 44 A HN 0.464 nan 8.150 nan 0.000 0.506 45 D N 0.120 120.493 120.400 -0.045 0.000 2.362 45 D HA 0.419 5.059 4.640 -0.001 0.000 0.242 45 D C 0.328 176.600 176.300 -0.047 0.000 1.132 45 D CA 0.716 54.691 54.000 -0.042 0.000 0.907 45 D CB 0.905 41.685 40.800 -0.032 0.000 1.195 45 D HN 0.654 nan 8.370 nan 0.000 0.429 46 A N 1.221 124.013 122.820 -0.047 0.000 2.363 46 A HA 0.163 4.483 4.320 -0.001 0.000 0.270 46 A C 0.082 177.637 177.584 -0.048 0.000 1.121 46 A CA -0.475 51.531 52.037 -0.053 0.000 0.800 46 A CB 0.367 19.335 19.000 -0.053 0.000 1.052 46 A HN 0.470 nan 8.150 nan 0.000 0.493 47 D N 1.240 121.607 120.400 -0.055 0.000 2.383 47 D HA 0.266 4.905 4.640 -0.001 0.000 0.252 47 D C 1.314 177.572 176.300 -0.071 0.000 1.166 47 D CA 1.010 54.975 54.000 -0.057 0.000 0.879 47 D CB 0.846 41.611 40.800 -0.059 0.000 1.164 47 D HN 0.502 nan 8.370 nan 0.000 0.462 48 T N -1.260 113.257 114.554 -0.062 0.000 2.985 48 T HA -0.024 4.325 4.350 -0.001 0.000 0.254 48 T C 1.774 176.429 174.700 -0.075 0.000 1.021 48 T CA 0.521 62.584 62.100 -0.063 0.000 0.957 48 T CB -0.390 68.456 68.868 -0.036 0.000 1.047 48 T HN 0.423 nan 8.240 nan 0.000 0.511 49 T N 1.113 115.624 114.554 -0.073 0.000 2.759 49 T HA -0.083 4.267 4.350 -0.001 0.000 0.269 49 T C 1.705 176.340 174.700 -0.108 0.000 1.042 49 T CA 1.275 63.334 62.100 -0.068 0.000 1.140 49 T CB -0.577 68.261 68.868 -0.051 0.000 0.864 49 T HN 0.263 nan 8.240 nan 0.000 0.455 50 L N 2.178 123.284 121.223 -0.196 0.000 2.084 50 L HA 0.158 4.498 4.340 -0.001 0.000 0.202 50 L C 2.793 179.361 176.870 -0.503 0.000 1.074 50 L CA 2.394 57.020 54.840 -0.356 0.000 0.757 50 L CB -1.244 40.519 42.059 -0.493 0.000 0.918 50 L HN 0.520 nan 8.230 nan 0.000 0.444 51 T N -3.788 110.468 114.554 -0.496 0.000 2.977 51 T HA -0.083 4.267 4.350 -0.001 0.000 0.271 51 T C 1.668 176.362 174.700 -0.009 0.000 1.105 51 T CA 1.356 63.258 62.100 -0.330 0.000 1.116 51 T CB -0.631 68.147 68.868 -0.150 0.000 0.878 51 T HN 0.308 nan 8.240 nan 0.000 0.509 52 S N 0.058 115.743 115.700 -0.025 0.000 2.593 52 S HA 0.218 4.687 4.470 -0.001 0.000 0.217 52 S C 0.945 175.587 174.600 0.069 0.000 0.966 52 S CA -0.489 57.732 58.200 0.035 0.000 0.914 52 S CB -0.475 62.731 63.200 0.010 0.000 0.776 52 S HN 0.595 nan 8.310 nan 0.000 0.523 53 C N 2.542 121.893 119.300 0.086 0.000 2.653 53 C HA 0.399 4.858 4.460 -0.001 0.000 0.421 53 C C 2.126 177.227 174.990 0.184 0.000 1.334 53 C CA -0.404 58.690 59.018 0.127 0.000 1.885 53 C CB 0.052 27.884 27.740 0.153 0.000 2.645 53 C HN 0.596 nan 8.230 nan 0.000 0.601 54 A N 3.036 125.935 122.820 0.132 0.000 1.972 54 A HA -0.133 4.186 4.320 -0.001 0.000 0.219 54 A C 2.225 179.895 177.584 0.144 0.000 1.169 54 A CA 2.245 54.354 52.037 0.121 0.000 0.635 54 A CB -0.649 18.398 19.000 0.078 0.000 0.810 54 A HN 1.017 nan 8.150 nan 0.000 0.446 55 S N -1.958 113.838 115.700 0.161 0.000 2.402 55 S HA -0.175 4.295 4.470 -0.001 0.000 0.229 55 S C 1.876 176.618 174.600 0.236 0.000 1.021 55 S CA 0.852 59.147 58.200 0.158 0.000 0.974 55 S CB -0.677 62.609 63.200 0.142 0.000 0.800 55 S HN 0.752 nan 8.310 nan 0.000 0.484 56 W N 2.510 123.891 121.300 0.134 0.000 2.409 56 W HA -0.084 4.573 4.660 -0.005 0.000 0.299 56 W C 1.832 178.495 176.519 0.239 0.000 1.203 56 W CA 1.508 58.995 57.345 0.236 0.000 1.298 56 W CB -0.579 29.011 29.460 0.216 0.000 1.127 56 W HN 0.321 nan 8.180 nan 0.000 0.528 57 T N 0.595 115.357 114.554 0.347 0.000 2.788 57 T HA -0.283 4.067 4.350 -0.001 0.000 0.268 57 T C 1.550 176.324 174.700 0.123 0.000 1.044 57 T CA 1.967 64.200 62.100 0.222 0.000 1.139 57 T CB -0.268 68.708 68.868 0.180 0.000 0.867 57 T HN 0.063 nan 8.240 nan 0.000 0.454 58 Q N 0.706 120.563 119.800 0.095 0.000 2.119 58 Q HA 0.110 4.449 4.340 -0.001 0.000 0.201 58 Q C 2.045 178.042 176.000 -0.006 0.000 0.972 58 Q CA 1.283 57.112 55.803 0.043 0.000 0.847 58 Q CB -0.590 28.169 28.738 0.035 0.000 0.903 58 Q HN 0.490 nan 8.270 nan 0.000 0.433 59 L N 0.019 121.194 121.223 -0.080 0.000 2.141 59 L HA -0.171 4.169 4.340 -0.001 0.000 0.209 59 L C 2.389 179.121 176.870 -0.230 0.000 1.094 59 L CA 1.169 55.842 54.840 -0.278 0.000 0.763 59 L CB -0.295 41.368 42.059 -0.660 0.000 0.908 59 L HN 0.295 nan 8.230 nan 0.000 0.437 60 Q N 0.579 120.372 119.800 -0.010 0.000 2.119 60 Q HA -0.218 4.121 4.340 -0.001 0.000 0.201 60 Q C 2.111 178.195 176.000 0.139 0.000 0.972 60 Q CA 1.639 57.555 55.803 0.189 0.000 0.847 60 Q CB -0.055 28.803 28.738 0.201 0.000 0.903 60 Q HN 0.259 nan 8.270 nan 0.000 0.433 61 K N -0.501 119.944 120.400 0.074 0.000 2.057 61 K HA -0.069 4.250 4.320 -0.001 0.000 0.206 61 K C 1.895 178.493 176.600 -0.003 0.000 1.050 61 K CA 1.086 57.391 56.287 0.028 0.000 0.935 61 K CB -0.113 32.398 32.500 0.019 0.000 0.715 61 K HN 0.279 nan 8.250 nan 0.000 0.439 62 L N 0.140 121.394 121.223 0.051 0.000 2.201 62 L HA -0.160 4.180 4.340 -0.001 0.000 0.212 62 L C 2.389 179.401 176.870 0.236 0.000 1.105 62 L CA 0.824 55.730 54.840 0.111 0.000 0.775 62 L CB -0.446 41.712 42.059 0.164 0.000 0.913 62 L HN 0.266 nan 8.230 nan 0.000 0.440 63 Y N 1.203 121.588 120.300 0.141 0.000 2.220 63 Y HA -0.212 4.334 4.550 -0.008 0.000 0.291 63 Y C 2.390 178.226 175.900 -0.107 0.000 1.129 63 Y CA 1.520 59.618 58.100 -0.004 0.000 1.161 63 Y CB -0.116 38.175 38.460 -0.282 0.000 0.997 63 Y HN 0.158 nan 8.280 nan 0.000 0.522 64 E N -0.237 119.837 120.200 -0.211 0.000 2.153 64 E HA -0.248 4.101 4.350 -0.001 0.000 0.194 64 E C 2.109 178.528 176.600 -0.301 0.000 0.988 64 E CA 1.534 57.762 56.400 -0.286 0.000 0.811 64 E CB -0.089 29.541 29.700 -0.117 0.000 0.746 64 E HN 0.667 nan 8.360 nan 0.000 0.466 65 Q N -0.696 118.910 119.800 -0.324 0.000 2.033 65 Q HA -0.081 4.259 4.340 -0.001 0.000 0.196 65 Q C 1.059 176.775 176.000 -0.473 0.000 0.970 65 Q CA 1.083 56.582 55.803 -0.508 0.000 0.828 65 Q CB 0.180 28.393 28.738 -0.875 0.000 0.895 65 Q HN 0.363 nan 8.270 nan 0.000 0.440 66 Y N -1.404 118.912 120.300 0.026 0.000 2.481 66 Y HA 0.313 4.865 4.550 0.003 0.000 0.247 66 Y C 1.909 177.905 175.900 0.161 0.000 1.151 66 Y CA -0.012 58.158 58.100 0.117 0.000 1.238 66 Y CB -0.133 38.438 38.460 0.185 0.000 1.179 66 Y HN 0.094 nan 8.280 nan 0.000 0.524 67 G N 0.158 108.976 108.800 0.030 0.000 2.450 67 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.220 67 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.220 67 G C 1.233 176.143 174.900 0.018 0.000 1.130 67 G CA 1.237 46.248 45.100 -0.148 0.000 0.760 67 G HN 0.247 nan 8.290 nan 0.000 0.557 68 D N 0.498 120.888 120.400 -0.017 0.000 2.349 68 D HA 0.048 4.688 4.640 -0.001 0.000 0.215 68 D C 0.639 177.033 176.300 0.155 0.000 1.016 68 D CA 0.142 54.175 54.000 0.056 0.000 0.870 68 D CB 0.232 41.021 40.800 -0.019 0.000 0.917 68 D HN 0.427 nan 8.370 nan 0.000 0.524 69 E N 2.718 123.051 120.200 0.222 0.000 2.290 69 E HA 0.113 4.462 4.350 -0.001 0.000 0.277 69 E C -2.123 174.590 176.600 0.188 0.000 1.035 69 E CA -1.522 54.985 56.400 0.177 0.000 0.873 69 E CB 0.873 30.695 29.700 0.203 0.000 1.029 69 E HN 0.116 nan 8.360 nan 0.000 0.419 70 P HA -0.015 nan 4.420 nan 0.000 0.269 70 P C 0.677 177.917 177.300 -0.099 0.000 1.215 70 P CA 0.133 63.275 63.100 0.070 0.000 0.780 70 P CB 0.897 32.621 31.700 0.040 0.000 0.898 71 I N 1.866 122.378 120.570 -0.097 0.000 2.264 71 I HA -0.309 3.861 4.170 -0.001 0.000 0.248 71 I C 2.371 178.527 176.117 0.065 0.000 1.111 71 I CA 1.875 63.133 61.300 -0.070 0.000 1.382 71 I CB -0.738 37.212 38.000 -0.084 0.000 1.060 71 I HN 0.480 nan 8.210 nan 0.000 0.418 72 K N 1.812 122.229 120.400 0.029 0.000 2.209 72 K HA -0.230 4.089 4.320 -0.001 0.000 0.204 72 K C 2.074 178.710 176.600 0.059 0.000 1.048 72 K CA 1.459 57.788 56.287 0.070 0.000 0.940 72 K CB -0.348 32.140 32.500 -0.021 0.000 0.729 72 K HN 0.279 nan 8.250 nan 0.000 0.451 73 K N 0.666 121.012 120.400 -0.090 0.000 2.097 73 K HA -0.174 4.146 4.320 -0.001 0.000 0.206 73 K C 1.733 178.269 176.600 -0.107 0.000 1.049 73 K CA 1.380 57.590 56.287 -0.129 0.000 0.933 73 K CB -0.078 32.299 32.500 -0.206 0.000 0.717 73 K HN 0.340 nan 8.250 nan 0.000 0.442 74 H N -0.728 118.328 119.070 -0.022 0.000 2.457 74 H HA -0.073 4.482 4.556 -0.002 0.000 0.294 74 H C 1.785 176.946 175.328 -0.278 0.000 1.064 74 H CA 1.110 57.042 56.048 -0.194 0.000 1.330 74 H CB -0.263 29.303 29.762 -0.327 0.000 1.395 74 H HN 0.229 nan 8.280 nan 0.000 0.541 75 F N 1.099 121.023 119.950 -0.044 0.000 2.293 75 F HA -0.009 4.517 4.527 -0.002 0.000 0.297 75 F C 2.346 178.113 175.800 -0.054 0.000 1.089 75 F CA 0.667 58.626 58.000 -0.069 0.000 1.377 75 F CB 0.144 39.097 39.000 -0.080 0.000 1.051 75 F HN 0.119 nan 8.300 nan 0.000 0.511 76 E N -0.637 119.636 120.200 0.122 0.000 2.216 76 E HA -0.129 4.221 4.350 -0.001 0.000 0.192 76 E C 2.089 178.702 176.600 0.023 0.000 0.988 76 E CA 1.622 58.056 56.400 0.057 0.000 0.834 76 E CB -0.146 29.574 29.700 0.034 0.000 0.772 76 E HN 0.384 nan 8.360 nan 0.000 0.479 77 T N -1.847 112.712 114.554 0.007 0.000 3.057 77 T HA -0.024 4.326 4.350 -0.001 0.000 0.254 77 T C 0.397 175.079 174.700 -0.030 0.000 1.094 77 T CA 0.148 62.243 62.100 -0.008 0.000 1.088 77 T CB 0.326 69.193 68.868 -0.002 0.000 0.934 77 T HN -0.141 nan 8.240 nan 0.000 0.497 78 D N 1.351 121.718 120.400 -0.055 0.000 2.421 78 D HA 0.321 4.960 4.640 -0.001 0.000 0.254 78 D C 1.069 177.333 176.300 -0.061 0.000 1.238 78 D CA -0.311 53.642 54.000 -0.079 0.000 0.919 78 D CB 1.713 42.425 40.800 -0.146 0.000 1.152 78 D HN 0.144 nan 8.370 nan 0.000 0.552 79 S N 2.552 118.239 115.700 -0.021 0.000 2.481 79 S HA -0.072 4.397 4.470 -0.001 0.000 0.231 79 S C 0.883 175.487 174.600 0.005 0.000 0.996 79 S CA 0.553 58.757 58.200 0.006 0.000 0.942 79 S CB -0.063 63.141 63.200 0.006 0.000 0.768 79 S HN 0.515 nan 8.310 nan 0.000 0.520 80 E N 0.401 120.591 120.200 -0.017 0.000 2.499 80 E HA 0.273 4.622 4.350 -0.001 0.000 0.199 80 E C 1.550 178.135 176.600 -0.026 0.000 1.016 80 E CA -0.369 56.026 56.400 -0.008 0.000 0.933 80 E CB 0.185 29.882 29.700 -0.005 0.000 1.050 80 E HN 0.452 nan 8.360 nan 0.000 0.462 81 R N 0.760 121.199 120.500 -0.102 0.000 2.091 81 R HA -0.150 4.189 4.340 -0.001 0.000 0.238 81 R C 2.105 178.323 176.300 -0.137 0.000 1.136 81 R CA 1.826 57.776 56.100 -0.249 0.000 0.959 81 R CB -0.375 29.504 30.300 -0.703 0.000 0.856 81 R HN 0.300 nan 8.270 nan 0.000 0.437 82 G N 0.056 108.856 108.800 0.000 0.000 2.440 82 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.218 82 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.218 82 G C 1.246 176.199 174.900 0.088 0.000 1.154 82 G CA 0.716 45.875 45.100 0.099 0.000 0.767 82 G HN 0.429 nan 8.290 nan 0.000 0.552 83 Q N -0.497 119.346 119.800 0.071 0.000 2.137 83 Q HA 0.078 4.418 4.340 -0.001 0.000 0.198 83 Q C 2.818 178.846 176.000 0.047 0.000 0.960 83 Q CA 0.420 56.270 55.803 0.078 0.000 0.847 83 Q CB 0.002 28.770 28.738 0.051 0.000 0.915 83 Q HN 0.390 nan 8.270 nan 0.000 0.448 84 R N -0.479 120.045 120.500 0.040 0.000 2.148 84 R HA -0.078 4.262 4.340 -0.001 0.000 0.223 84 R C 0.359 176.610 176.300 -0.082 0.000 1.088 84 R CA 0.836 56.949 56.100 0.021 0.000 0.985 84 R CB 0.187 30.535 30.300 0.081 0.000 0.880 84 R HN 0.195 nan 8.270 nan 0.000 0.451 85 Y N 0.443 120.554 120.300 -0.316 0.000 2.833 85 Y HA 0.228 4.777 4.550 -0.001 0.000 0.339 85 Y C -0.152 175.265 175.900 -0.805 0.000 1.032 85 Y CA -0.704 56.962 58.100 -0.724 0.000 1.450 85 Y CB 0.452 38.424 38.460 -0.813 0.000 1.296 85 Y HN -0.083 nan 8.280 nan 0.000 0.535 86 S N -1.183 114.376 115.700 -0.235 0.000 2.537 86 S HA 0.860 5.330 4.470 -0.001 0.000 0.270 86 S C -1.441 173.161 174.600 0.004 0.000 1.142 86 S CA -0.794 57.307 58.200 -0.166 0.000 0.870 86 S CB 1.822 64.911 63.200 -0.186 0.000 1.112 86 S HN -0.134 nan 8.310 nan 0.000 0.466 87 V N 1.655 121.548 119.914 -0.036 0.000 2.686 87 V HA 0.623 4.742 4.120 -0.001 0.000 0.306 87 V C -0.588 175.596 176.094 0.150 0.000 1.065 87 V CA -0.712 61.644 62.300 0.092 0.000 0.894 87 V CB 1.981 33.874 31.823 0.117 0.000 1.004 87 V HN 1.026 nan 8.190 nan 0.000 0.424 88 K N 3.145 123.689 120.400 0.241 0.000 2.307 88 K HA 0.745 5.064 4.320 -0.001 0.000 0.263 88 K C -1.463 175.202 176.600 0.109 0.000 0.973 88 K CA -0.439 56.004 56.287 0.260 0.000 0.846 88 K CB 1.761 34.334 32.500 0.120 0.000 1.100 88 K HN 0.514 nan 8.250 nan 0.000 0.438 89 V N 3.286 123.258 119.914 0.096 0.000 2.357 89 V HA 0.203 4.322 4.120 -0.001 0.000 0.284 89 V C 0.057 176.208 176.094 0.094 0.000 1.018 89 V CA -0.847 61.442 62.300 -0.018 0.000 0.841 89 V CB 1.243 32.900 31.823 -0.277 0.000 0.991 89 V HN 0.858 nan 8.190 nan 0.000 0.437 90 S N 4.253 120.005 115.700 0.087 0.000 2.564 90 S HA 0.339 4.808 4.470 -0.001 0.000 0.278 90 S C 0.882 175.538 174.600 0.094 0.000 1.333 90 S CA -0.444 57.832 58.200 0.128 0.000 1.048 90 S CB 0.497 63.753 63.200 0.093 0.000 0.900 90 S HN 0.631 nan 8.310 nan 0.000 0.505 91 L N 4.111 125.395 121.223 0.103 0.000 2.591 91 L HA 0.251 4.591 4.340 -0.001 0.000 0.228 91 L C 1.912 178.814 176.870 0.054 0.000 1.133 91 L CA 0.397 55.275 54.840 0.063 0.000 0.880 91 L CB -0.804 41.281 42.059 0.043 0.000 1.033 91 L HN 1.058 nan 8.230 nan 0.000 0.450 92 G N 0.550 109.387 108.800 0.061 0.000 2.155 92 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.257 92 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.257 92 G C 0.321 175.247 174.900 0.043 0.000 0.983 92 G CA 0.493 45.625 45.100 0.053 0.000 0.676 92 G HN 0.475 nan 8.290 nan 0.000 0.528 93 S N -1.162 114.562 115.700 0.040 0.000 2.654 93 S HA 0.646 5.116 4.470 -0.001 0.000 0.283 93 S C 1.079 175.700 174.600 0.035 0.000 1.180 93 S CA 0.067 58.283 58.200 0.028 0.000 1.021 93 S CB 2.209 65.416 63.200 0.012 0.000 1.018 93 S HN 0.333 nan 8.310 nan 0.000 0.532 94 K N 0.545 120.963 120.400 0.029 0.000 2.209 94 K HA -0.155 4.164 4.320 -0.001 0.000 0.204 94 K C 0.921 177.543 176.600 0.037 0.000 1.048 94 K CA 1.687 57.993 56.287 0.033 0.000 0.940 94 K CB -0.334 32.183 32.500 0.028 0.000 0.729 94 K HN 0.819 nan 8.250 nan 0.000 0.451 95 D N 0.366 120.787 120.400 0.035 0.000 2.363 95 D HA -0.118 4.522 4.640 -0.001 0.000 0.226 95 D C -0.502 175.831 176.300 0.054 0.000 1.020 95 D CA 0.409 54.432 54.000 0.038 0.000 0.892 95 D CB -0.265 40.551 40.800 0.027 0.000 0.900 95 D HN 0.293 nan 8.370 nan 0.000 0.531 96 E N -0.861 119.380 120.200 0.068 0.000 2.476 96 E HA -0.219 4.130 4.350 -0.001 0.000 0.251 96 E C -0.325 176.374 176.600 0.166 0.000 1.130 96 E CA 0.192 56.660 56.400 0.114 0.000 0.736 96 E CB -1.735 28.036 29.700 0.118 0.000 1.298 96 E HN 0.293 nan 8.360 nan 0.000 0.400 97 N N 0.530 119.276 118.700 0.075 0.000 2.482 97 N HA 0.415 5.154 4.740 -0.001 0.000 0.260 97 N C -0.418 175.145 175.510 0.089 0.000 1.236 97 N CA 0.386 53.416 53.050 -0.032 0.000 0.938 97 N CB 0.456 38.900 38.487 -0.072 0.000 1.128 97 N HN 0.182 nan 8.380 nan 0.000 0.448 98 F N -0.199 119.784 119.950 0.054 0.000 2.745 98 F HA 0.626 5.152 4.527 -0.001 0.000 0.316 98 F C -1.678 174.177 175.800 0.093 0.000 1.155 98 F CA -1.343 56.695 58.000 0.064 0.000 0.937 98 F CB 0.776 39.819 39.000 0.072 0.000 1.361 98 F HN 0.163 nan 8.300 nan 0.000 0.472 99 L N 2.585 124.049 121.223 0.402 0.000 2.372 99 L HA 0.594 4.934 4.340 -0.001 0.000 0.273 99 L C -1.978 175.165 176.870 0.455 0.000 0.989 99 L CA -0.705 54.322 54.840 0.312 0.000 0.841 99 L CB 1.184 43.327 42.059 0.140 0.000 1.225 99 L HN 0.674 nan 8.230 nan 0.000 0.414 100 F N 6.301 126.482 119.950 0.386 0.000 2.411 100 F HA 0.634 5.161 4.527 -0.000 0.000 0.352 100 F C -1.280 174.665 175.800 0.241 0.000 1.123 100 F CA -0.848 57.326 58.000 0.290 0.000 1.044 100 F CB 1.434 40.637 39.000 0.339 0.000 1.135 100 F HN 0.457 nan 8.300 nan 0.000 0.461 101 L N 6.832 127.877 121.223 -0.297 0.000 2.287 101 L HA 0.464 4.804 4.340 -0.001 0.000 0.287 101 L C -1.265 175.318 176.870 -0.478 0.000 1.022 101 L CA -0.090 54.616 54.840 -0.225 0.000 0.814 101 L CB 1.076 43.127 42.059 -0.014 0.000 1.217 101 L HN 0.599 nan 8.230 nan 0.000 0.420 102 D N 3.727 123.940 120.400 -0.311 0.000 2.453 102 D HA 0.184 4.824 4.640 -0.001 0.000 0.238 102 D C -0.570 175.757 176.300 0.045 0.000 1.088 102 D CA -0.229 53.634 54.000 -0.228 0.000 0.854 102 D CB 0.784 41.515 40.800 -0.115 0.000 1.076 102 D HN 0.553 nan 8.370 nan 0.000 0.533 103 Y N 1.716 122.028 120.300 0.020 0.000 2.681 103 Y HA 0.228 4.777 4.550 -0.001 0.000 0.267 103 Y C 1.567 177.570 175.900 0.173 0.000 1.166 103 Y CA -0.259 57.906 58.100 0.108 0.000 1.209 103 Y CB -0.359 38.167 38.460 0.109 0.000 1.161 103 Y HN 0.189 nan 8.280 nan 0.000 0.534 104 S N 0.363 116.011 115.700 -0.088 0.000 2.423 104 S HA -0.065 4.404 4.470 -0.001 0.000 0.231 104 S C 0.804 175.457 174.600 0.089 0.000 1.014 104 S CA 0.305 58.434 58.200 -0.118 0.000 0.965 104 S CB -0.377 62.770 63.200 -0.088 0.000 0.785 104 S HN 0.476 nan 8.310 nan 0.000 0.495 105 K N 3.057 123.580 120.400 0.205 0.000 2.278 105 K HA 0.263 4.582 4.320 -0.001 0.000 0.237 105 K C -0.365 176.327 176.600 0.154 0.000 1.229 105 K CA -0.079 56.331 56.287 0.205 0.000 1.155 105 K CB -0.142 32.388 32.500 0.050 0.000 1.590 105 K HN 0.560 nan 8.250 nan 0.000 0.290 106 S N -0.737 115.068 115.700 0.176 0.000 2.596 106 S HA 0.262 4.731 4.470 -0.001 0.000 0.270 106 S C -0.545 174.204 174.600 0.248 0.000 1.155 106 S CA -1.111 57.263 58.200 0.290 0.000 0.827 106 S CB 0.707 64.166 63.200 0.433 0.000 1.130 106 S HN 0.485 nan 8.310 nan 0.000 0.467 107 H N 0.565 119.924 119.070 0.482 0.000 2.768 107 H HA 0.533 5.090 4.556 0.002 0.000 0.228 107 H C -0.729 174.852 175.328 0.421 0.000 1.812 107 H CA 0.062 56.434 56.048 0.541 0.000 1.273 107 H CB -0.679 29.477 29.762 0.657 0.000 1.631 107 H HN 0.362 nan 8.280 nan 0.000 0.526 108 I N 2.113 122.764 120.570 0.135 0.000 2.468 108 I HA 0.169 4.338 4.170 -0.001 0.000 0.285 108 I C -0.461 175.398 176.117 -0.430 0.000 1.039 108 I CA -1.069 60.137 61.300 -0.156 0.000 1.074 108 I CB 1.342 39.320 38.000 -0.036 0.000 1.228 108 I HN 0.395 nan 8.210 nan 0.000 0.436 109 N N 3.383 121.778 118.700 -0.509 0.000 2.604 109 N HA 0.278 5.017 4.740 -0.001 0.000 0.297 109 N C 0.297 175.684 175.510 -0.205 0.000 1.266 109 N CA -0.645 52.083 53.050 -0.536 0.000 0.961 109 N CB 0.547 38.636 38.487 -0.664 0.000 1.166 109 N HN 0.298 nan 8.380 nan 0.000 0.601 110 D N -0.320 119.998 120.400 -0.136 0.000 2.149 110 D HA -0.139 4.501 4.640 -0.001 0.000 0.198 110 D C 1.125 177.346 176.300 -0.132 0.000 0.990 110 D CA 1.351 55.306 54.000 -0.076 0.000 0.839 110 D CB -0.044 40.717 40.800 -0.065 0.000 0.948 110 D HN 0.680 nan 8.370 nan 0.000 0.460 111 E N -0.090 120.004 120.200 -0.177 0.000 2.072 111 E HA -0.084 4.265 4.350 -0.001 0.000 0.191 111 E C 2.260 178.762 176.600 -0.163 0.000 0.985 111 E CA 0.481 56.800 56.400 -0.135 0.000 0.801 111 E CB 0.035 29.677 29.700 -0.098 0.000 0.750 111 E HN 0.310 nan 8.360 nan 0.000 0.452 112 I N 1.097 121.515 120.570 -0.253 0.000 2.286 112 I HA -0.231 3.939 4.170 -0.001 0.000 0.245 112 I C 2.540 178.422 176.117 -0.391 0.000 1.104 112 I CA 0.933 61.978 61.300 -0.425 0.000 1.397 112 I CB -0.124 37.466 38.000 -0.683 0.000 1.072 112 I HN -0.007 nan 8.210 nan 0.000 0.417 113 K N 0.466 120.706 120.400 -0.267 0.000 2.063 113 K HA -0.269 4.051 4.320 -0.001 0.000 0.208 113 K C 2.400 178.893 176.600 -0.179 0.000 1.048 113 K CA 1.933 58.099 56.287 -0.201 0.000 0.928 113 K CB -0.325 32.082 32.500 -0.156 0.000 0.713 113 K HN 0.431 nan 8.250 nan 0.000 0.442 114 C N 0.473 119.680 119.300 -0.154 0.000 2.429 114 C HA 0.043 4.502 4.460 -0.001 0.000 0.277 114 C C 2.803 177.728 174.990 -0.109 0.000 1.262 114 C CA 1.161 60.109 59.018 -0.118 0.000 1.733 114 C CB -0.983 26.701 27.740 -0.094 0.000 2.010 114 C HN 0.603 nan 8.230 nan 0.000 0.483 115 A N 0.005 122.745 122.820 -0.132 0.000 1.969 115 A HA 0.016 4.336 4.320 -0.001 0.000 0.218 115 A C 2.172 179.690 177.584 -0.110 0.000 1.169 115 A CA 1.493 53.462 52.037 -0.114 0.000 0.635 115 A CB -0.585 18.332 19.000 -0.138 0.000 0.810 115 A HN 0.672 nan 8.150 nan 0.000 0.445 116 L N -0.776 120.350 121.223 -0.162 0.000 2.109 116 L HA -0.110 4.230 4.340 -0.001 0.000 0.207 116 L C 2.438 179.270 176.870 -0.063 0.000 1.086 116 L CA 0.818 55.590 54.840 -0.114 0.000 0.760 116 L CB -0.387 41.573 42.059 -0.165 0.000 0.910 116 L HN 0.361 nan 8.230 nan 0.000 0.437 117 L N -0.794 120.378 121.223 -0.085 0.000 2.141 117 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 117 L C 2.727 179.570 176.870 -0.044 0.000 1.094 117 L CA 1.034 55.832 54.840 -0.070 0.000 0.763 117 L CB -0.407 41.599 42.059 -0.089 0.000 0.908 117 L HN 0.201 nan 8.230 nan 0.000 0.437 118 R N -0.401 120.078 120.500 -0.036 0.000 2.148 118 R HA -0.128 4.211 4.340 -0.001 0.000 0.223 118 R C 2.171 178.483 176.300 0.020 0.000 1.088 118 R CA 0.877 56.970 56.100 -0.012 0.000 0.985 118 R CB -0.313 29.981 30.300 -0.009 0.000 0.880 118 R HN 0.206 nan 8.270 nan 0.000 0.451 119 L N 0.793 122.041 121.223 0.041 0.000 2.056 119 L HA -0.039 4.301 4.340 -0.001 0.000 0.207 119 L C 2.227 179.138 176.870 0.068 0.000 1.078 119 L CA 1.781 56.682 54.840 0.102 0.000 0.749 119 L CB -0.510 41.653 42.059 0.173 0.000 0.901 119 L HN 0.071 nan 8.230 nan 0.000 0.433 120 A N -0.802 122.035 122.820 0.029 0.000 1.933 120 A HA -0.202 4.118 4.320 -0.001 0.000 0.218 120 A C 2.177 179.756 177.584 -0.008 0.000 1.175 120 A CA 1.792 53.831 52.037 0.003 0.000 0.628 120 A CB -0.564 18.424 19.000 -0.019 0.000 0.814 120 A HN 0.620 nan 8.150 nan 0.000 0.444 121 E N -0.696 119.497 120.200 -0.011 0.000 2.072 121 E HA -0.174 4.175 4.350 -0.001 0.000 0.190 121 E C 2.033 178.632 176.600 -0.002 0.000 0.982 121 E CA 1.081 57.471 56.400 -0.017 0.000 0.803 121 E CB -0.148 29.539 29.700 -0.022 0.000 0.755 121 E HN 0.732 nan 8.360 nan 0.000 0.453 122 E N 0.414 120.624 120.200 0.016 0.000 2.110 122 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 122 E C 1.781 178.393 176.600 0.020 0.000 0.988 122 E CA 0.578 56.993 56.400 0.026 0.000 0.804 122 E CB 0.258 29.988 29.700 0.051 0.000 0.745 122 E HN -0.017 nan 8.360 nan 0.000 0.458 123 R N -0.563 119.947 120.500 0.016 0.000 2.313 123 R HA 0.049 4.388 4.340 -0.001 0.000 0.199 123 R C 0.815 177.107 176.300 -0.014 0.000 0.958 123 R CA 0.702 56.799 56.100 -0.006 0.000 1.047 123 R CB 0.122 30.411 30.300 -0.018 0.000 0.955 123 R HN 0.253 nan 8.270 nan 0.000 0.481 124 G N 2.125 110.926 108.800 0.001 0.000 2.295 124 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.287 124 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.287 124 G C 0.827 175.751 174.900 0.041 0.000 1.055 124 G CA 0.075 45.184 45.100 0.015 0.000 0.922 124 G HN 0.202 nan 8.290 nan 0.000 0.503 125 I N 0.036 120.615 120.570 0.015 0.000 2.226 125 I HA -0.129 4.041 4.170 -0.001 0.000 0.245 125 I C 2.733 178.853 176.117 0.004 0.000 1.100 125 I CA 2.050 63.376 61.300 0.042 0.000 1.374 125 I CB -0.968 37.036 38.000 0.007 0.000 1.057 125 I HN 0.566 nan 8.210 nan 0.000 0.413 126 R N 0.955 121.409 120.500 -0.077 0.000 2.083 126 R HA -0.239 4.100 4.340 -0.001 0.000 0.237 126 R C 2.257 178.480 176.300 -0.129 0.000 1.137 126 R CA 1.851 57.855 56.100 -0.159 0.000 0.951 126 R CB -0.032 30.180 30.300 -0.147 0.000 0.851 126 R HN 0.349 nan 8.270 nan 0.000 0.434 127 Q N -0.755 119.017 119.800 -0.046 0.000 2.172 127 Q HA -0.101 4.238 4.340 -0.001 0.000 0.200 127 Q C 1.666 177.677 176.000 0.019 0.000 0.964 127 Q CA 1.470 57.258 55.803 -0.024 0.000 0.855 127 Q CB -0.238 28.504 28.738 0.008 0.000 0.918 127 Q HN 0.329 nan 8.270 nan 0.000 0.444 128 F N -0.045 119.871 119.950 -0.057 0.000 2.146 128 F HA -0.151 4.377 4.527 0.001 0.000 0.298 128 F C 1.757 177.550 175.800 -0.012 0.000 1.096 128 F CA 0.814 58.809 58.000 -0.009 0.000 1.275 128 F CB -0.092 38.925 39.000 0.028 0.000 1.008 128 F HN -0.157 nan 8.300 nan 0.000 0.480 129 V N 0.345 120.228 119.914 -0.053 0.000 2.343 129 V HA -0.282 3.838 4.120 -0.001 0.000 0.247 129 V C 2.443 178.365 176.094 -0.287 0.000 1.051 129 V CA 1.846 64.022 62.300 -0.208 0.000 1.036 129 V CB -0.680 30.845 31.823 -0.496 0.000 0.654 129 V HN 0.324 nan 8.190 nan 0.000 0.451 130 Q N -0.230 119.406 119.800 -0.274 0.000 2.124 130 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 130 Q C 2.523 178.442 176.000 -0.136 0.000 0.977 130 Q CA 1.808 57.481 55.803 -0.216 0.000 0.850 130 Q CB -0.557 28.073 28.738 -0.180 0.000 0.901 130 Q HN 0.624 nan 8.270 nan 0.000 0.429 131 S N 0.273 115.869 115.700 -0.173 0.000 2.382 131 S HA -0.084 4.385 4.470 -0.001 0.000 0.228 131 S C 2.181 176.646 174.600 -0.225 0.000 1.027 131 S CA 1.017 59.105 58.200 -0.187 0.000 0.991 131 S CB -0.137 62.935 63.200 -0.213 0.000 0.823 131 S HN 0.135 nan 8.310 nan 0.000 0.469 132 V N 0.974 120.714 119.914 -0.290 0.000 2.270 132 V HA -0.124 3.996 4.120 -0.001 0.000 0.245 132 V C 1.941 177.961 176.094 -0.124 0.000 1.043 132 V CA 1.624 63.770 62.300 -0.256 0.000 1.014 132 V CB -0.780 30.916 31.823 -0.213 0.000 0.645 132 V HN 0.385 nan 8.190 nan 0.000 0.447 133 F N 0.598 120.383 119.950 -0.274 0.000 2.269 133 F HA -0.074 4.453 4.527 -0.001 0.000 0.301 133 F C 2.420 178.088 175.800 -0.220 0.000 1.082 133 F CA 1.271 59.131 58.000 -0.234 0.000 1.360 133 F CB -0.451 38.435 39.000 -0.190 0.000 1.041 133 F HN 0.051 nan 8.300 nan 0.000 0.512 134 R N -0.661 119.828 120.500 -0.018 0.000 2.310 134 R HA 0.239 4.579 4.340 -0.001 0.000 0.202 134 R C 1.401 177.631 176.300 -0.118 0.000 0.933 134 R CA 0.647 56.711 56.100 -0.060 0.000 1.054 134 R CB -0.117 30.160 30.300 -0.039 0.000 0.985 134 R HN 0.310 nan 8.270 nan 0.000 0.489 135 G N 0.943 109.632 108.800 -0.185 0.000 2.141 135 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.231 135 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.231 135 G C -0.213 174.591 174.900 -0.160 0.000 0.984 135 G CA -0.448 44.514 45.100 -0.229 0.000 0.660 135 G HN 0.182 nan 8.290 nan 0.000 0.525 136 E N 0.132 120.252 120.200 -0.133 0.000 2.418 136 E HA 0.196 4.546 4.350 -0.001 0.000 0.261 136 E C 0.886 177.436 176.600 -0.083 0.000 1.070 136 E CA -0.211 56.134 56.400 -0.092 0.000 0.931 136 E CB 0.378 30.026 29.700 -0.087 0.000 0.954 136 E HN 0.406 nan 8.360 nan 0.000 0.439 137 R N 1.636 122.120 120.500 -0.026 0.000 3.688 137 R HA 0.019 4.358 4.340 -0.001 0.000 0.194 137 R C 1.420 177.749 176.300 0.048 0.000 1.677 137 R CA -0.129 55.980 56.100 0.016 0.000 1.351 137 R CB -0.386 29.943 30.300 0.048 0.000 1.338 137 R HN 0.306 nan 8.270 nan 0.000 0.731 138 V N -1.406 118.519 119.914 0.018 0.000 2.871 138 V HA -0.060 4.060 4.120 -0.001 0.000 0.256 138 V C 0.941 177.179 176.094 0.239 0.000 1.082 138 V CA 0.842 63.205 62.300 0.105 0.000 1.105 138 V CB -0.289 31.497 31.823 -0.062 0.000 0.713 138 V HN 0.398 nan 8.190 nan 0.000 0.473 139 N N 2.453 121.268 118.700 0.193 0.000 2.895 139 N HA 0.053 4.793 4.740 -0.001 0.000 0.277 139 N C 1.293 176.943 175.510 0.234 0.000 1.185 139 N CA 0.822 54.037 53.050 0.275 0.000 1.106 139 N CB 0.349 38.981 38.487 0.241 0.000 1.422 139 N HN 0.688 nan 8.380 nan 0.000 0.521 140 T N -1.701 112.996 114.554 0.238 0.000 2.833 140 T HA -0.202 4.147 4.350 -0.001 0.000 0.269 140 T C 1.755 176.580 174.700 0.208 0.000 1.054 140 T CA 1.878 64.097 62.100 0.197 0.000 1.135 140 T CB -0.688 68.288 68.868 0.180 0.000 0.869 140 T HN 0.445 nan 8.240 nan 0.000 0.466 141 T N -0.271 114.446 114.554 0.272 0.000 3.035 141 T HA 0.083 4.433 4.350 -0.001 0.000 0.268 141 T C 1.541 176.486 174.700 0.408 0.000 1.109 141 T CA 0.892 63.192 62.100 0.333 0.000 1.119 141 T CB -0.261 68.914 68.868 0.511 0.000 0.900 141 T HN 0.605 nan 8.240 nan 0.000 0.503 142 E N 0.311 120.709 120.200 0.331 0.000 2.562 142 E HA 0.205 4.555 4.350 -0.001 0.000 0.214 142 E C -0.020 176.695 176.600 0.193 0.000 0.979 142 E CA -0.425 56.138 56.400 0.271 0.000 1.002 142 E CB 0.234 30.054 29.700 0.200 0.000 1.048 142 E HN 0.305 nan 8.360 nan 0.000 0.488 143 N N 1.974 120.782 118.700 0.179 0.000 2.705 143 N HA -0.200 4.539 4.740 -0.001 0.000 0.255 143 N C -1.233 174.354 175.510 0.127 0.000 1.008 143 N CA 0.716 53.849 53.050 0.138 0.000 0.742 143 N CB -0.661 37.897 38.487 0.118 0.000 0.906 143 N HN 0.132 nan 8.380 nan 0.000 0.541 144 R N -0.310 120.272 120.500 0.136 0.000 2.795 144 R HA 0.587 4.927 4.340 -0.001 0.000 0.275 144 R C -2.418 173.945 176.300 0.105 0.000 0.981 144 R CA -1.766 54.417 56.100 0.139 0.000 0.917 144 R CB 1.672 32.072 30.300 0.166 0.000 1.202 144 R HN 0.036 nan 8.270 nan 0.000 0.469 145 P HA 0.141 nan 4.420 nan 0.000 0.274 145 P C -1.052 176.244 177.300 -0.006 0.000 1.256 145 P CA -0.428 62.661 63.100 -0.019 0.000 0.795 145 P CB 0.672 32.302 31.700 -0.116 0.000 1.038 146 V N 2.308 122.114 119.914 -0.180 0.000 2.327 146 V HA 0.240 4.359 4.120 -0.001 0.000 0.272 146 V C 0.081 175.962 176.094 -0.355 0.000 1.019 146 V CA 0.021 62.155 62.300 -0.276 0.000 0.814 146 V CB 0.367 31.773 31.823 -0.694 0.000 1.040 146 V HN 0.413 nan 8.190 nan 0.000 0.440 147 L N 4.802 125.931 121.223 -0.156 0.000 3.096 147 L HA 0.333 4.672 4.340 -0.001 0.000 0.272 147 L C 1.763 178.596 176.870 -0.063 0.000 1.311 147 L CA -0.295 54.346 54.840 -0.332 0.000 0.943 147 L CB 0.053 41.658 42.059 -0.757 0.000 1.348 147 L HN 0.766 nan 8.230 nan 0.000 0.562 148 H N -0.091 119.006 119.070 0.044 0.000 2.491 148 H HA -0.096 4.459 4.556 -0.001 0.000 0.290 148 H C 1.949 177.239 175.328 -0.063 0.000 1.050 148 H CA 1.349 57.482 56.048 0.143 0.000 1.309 148 H CB -0.211 29.680 29.762 0.216 0.000 1.392 148 H HN 0.623 nan 8.280 nan 0.000 0.554 149 I N -0.093 120.209 120.570 -0.448 0.000 2.614 149 I HA 0.066 4.236 4.170 -0.001 0.000 0.258 149 I C 2.563 178.508 176.117 -0.286 0.000 1.189 149 I CA 1.197 62.226 61.300 -0.452 0.000 1.462 149 I CB -0.376 37.089 38.000 -0.891 0.000 1.092 149 I HN 0.143 nan 8.210 nan 0.000 0.442 150 A N 1.562 124.232 122.820 -0.250 0.000 2.014 150 A HA 0.086 4.405 4.320 -0.001 0.000 0.218 150 A C 2.257 179.840 177.584 -0.001 0.000 1.163 150 A CA 1.295 53.220 52.037 -0.186 0.000 0.652 150 A CB -0.920 17.860 19.000 -0.366 0.000 0.808 150 A HN 0.542 nan 8.150 nan 0.000 0.449 151 L N -0.309 120.999 121.223 0.142 0.000 2.191 151 L HA -0.118 4.222 4.340 -0.001 0.000 0.212 151 L C 2.328 179.292 176.870 0.158 0.000 1.103 151 L CA 1.388 56.385 54.840 0.263 0.000 0.769 151 L CB -0.303 42.007 42.059 0.418 0.000 0.908 151 L HN 0.537 nan 8.230 nan 0.000 0.438 152 R N -0.743 119.765 120.500 0.013 0.000 2.577 152 R HA 0.098 4.437 4.340 -0.001 0.000 0.344 152 R C 0.116 176.351 176.300 -0.109 0.000 1.037 152 R CA -0.217 55.853 56.100 -0.049 0.000 1.102 152 R CB -0.672 29.522 30.300 -0.177 0.000 1.313 152 R HN 0.026 nan 8.270 nan 0.000 0.561 153 N N 2.316 120.948 118.700 -0.112 0.000 2.671 153 N HA 0.012 4.752 4.740 -0.001 0.000 0.274 153 N C 0.536 175.819 175.510 -0.378 0.000 1.188 153 N CA -0.169 52.758 53.050 -0.205 0.000 1.065 153 N CB 0.536 38.964 38.487 -0.099 0.000 1.415 153 N HN 0.053 nan 8.380 nan 0.000 0.511 154 R N 0.653 120.687 120.500 -0.777 0.000 2.189 154 R HA -0.070 4.269 4.340 -0.001 0.000 0.223 154 R C 1.710 177.830 176.300 -0.301 0.000 1.092 154 R CA 0.971 56.788 56.100 -0.472 0.000 0.989 154 R CB -1.003 29.044 30.300 -0.423 0.000 0.876 154 R HN 0.652 nan 8.270 nan 0.000 0.457 155 S N 0.734 116.249 115.700 -0.307 0.000 2.481 155 S HA -0.072 4.397 4.470 -0.001 0.000 0.231 155 S C 0.632 175.202 174.600 -0.049 0.000 0.996 155 S CA 0.242 58.409 58.200 -0.055 0.000 0.942 155 S CB -0.181 63.077 63.200 0.098 0.000 0.768 155 S HN 0.268 nan 8.310 nan 0.000 0.520 156 N N 1.107 119.756 118.700 -0.085 0.000 2.741 156 N HA -0.173 4.566 4.740 -0.001 0.000 0.250 156 N C -0.078 175.390 175.510 -0.070 0.000 1.115 156 N CA 0.916 53.922 53.050 -0.073 0.000 0.724 156 N CB -1.425 37.032 38.487 -0.050 0.000 1.090 156 N HN 0.736 nan 8.380 nan 0.000 0.558 157 R N 1.364 121.831 120.500 -0.054 0.000 2.484 157 R HA 0.129 4.468 4.340 -0.001 0.000 0.293 157 R C -2.314 173.910 176.300 -0.125 0.000 1.023 157 R CA -0.689 55.381 56.100 -0.050 0.000 1.037 157 R CB 0.419 30.716 30.300 -0.006 0.000 0.951 157 R HN -0.129 nan 8.270 nan 0.000 0.418 158 P HA -0.005 nan 4.420 nan 0.000 0.263 158 P C -0.856 176.158 177.300 -0.477 0.000 1.195 158 P CA 0.564 63.435 63.100 -0.382 0.000 0.762 158 P CB 0.423 31.909 31.700 -0.356 0.000 0.799 159 I N 4.383 124.592 120.570 -0.602 0.000 2.447 159 I HA 0.303 4.473 4.170 -0.001 0.000 0.287 159 I C -0.507 175.252 176.117 -0.596 0.000 1.023 159 I CA -0.859 60.158 61.300 -0.470 0.000 1.083 159 I CB 1.231 38.996 38.000 -0.392 0.000 1.245 159 I HN 0.267 nan 8.210 nan 0.000 0.434 160 Y N 5.256 125.439 120.300 -0.194 0.000 2.342 160 Y HA 0.611 5.160 4.550 -0.001 0.000 0.334 160 Y C -0.031 175.750 175.900 -0.199 0.000 1.067 160 Y CA -0.936 57.061 58.100 -0.171 0.000 1.128 160 Y CB 1.678 40.071 38.460 -0.111 0.000 1.200 160 Y HN 0.149 nan 8.280 nan 0.000 0.464 161 V N 3.345 123.242 119.914 -0.028 0.000 2.525 161 V HA 0.224 4.343 4.120 -0.001 0.000 0.299 161 V C -0.708 175.410 176.094 0.039 0.000 1.034 161 V CA -1.218 61.054 62.300 -0.048 0.000 0.863 161 V CB 1.523 33.278 31.823 -0.113 0.000 0.999 161 V HN 0.927 nan 8.190 nan 0.000 0.423 162 D N 4.010 124.436 120.400 0.043 0.000 2.837 162 D HA -0.200 4.440 4.640 -0.001 0.000 0.230 162 D C 1.310 177.639 176.300 0.047 0.000 1.152 162 D CA 1.706 55.735 54.000 0.048 0.000 0.736 162 D CB -1.128 39.711 40.800 0.064 0.000 1.084 162 D HN 1.496 nan 8.370 nan 0.000 0.429 163 G N -0.775 108.057 108.800 0.052 0.000 2.184 163 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.264 163 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.264 163 G C 0.187 175.178 174.900 0.152 0.000 0.975 163 G CA 0.862 45.985 45.100 0.039 0.000 0.642 163 G HN 0.486 nan 8.290 nan 0.000 0.536 164 K N 0.572 121.082 120.400 0.184 0.000 2.292 164 K HA 0.491 4.811 4.320 -0.001 0.000 0.257 164 K C -0.723 175.927 176.600 0.083 0.000 0.940 164 K CA -0.901 55.483 56.287 0.162 0.000 0.811 164 K CB 1.726 34.271 32.500 0.075 0.000 1.120 164 K HN 0.103 nan 8.250 nan 0.000 0.428 165 D N 2.116 122.494 120.400 -0.037 0.000 2.417 165 D HA -0.038 4.602 4.640 -0.001 0.000 0.250 165 D C 0.915 177.069 176.300 -0.244 0.000 1.166 165 D CA -0.237 53.531 54.000 -0.386 0.000 0.881 165 D CB 1.195 41.760 40.800 -0.392 0.000 1.164 165 D HN 0.329 nan 8.370 nan 0.000 0.467 166 V N 2.215 121.941 119.914 -0.314 0.000 3.306 166 V HA -0.083 4.036 4.120 -0.001 0.000 0.264 166 V C 1.967 177.922 176.094 -0.232 0.000 1.149 166 V CA 0.279 62.414 62.300 -0.275 0.000 1.143 166 V CB -0.469 31.129 31.823 -0.375 0.000 0.767 166 V HN 0.437 nan 8.190 nan 0.000 0.476 167 M N 0.899 120.370 119.600 -0.216 0.000 2.108 167 M HA -0.004 4.476 4.480 -0.001 0.000 0.261 167 M C 0.194 176.460 176.300 -0.057 0.000 1.066 167 M CA 1.640 56.861 55.300 -0.133 0.000 1.107 167 M CB -2.623 29.892 32.600 -0.140 0.000 1.356 167 M HN 0.343 nan 8.290 nan 0.000 0.406 168 P HA -0.034 nan 4.420 nan 0.000 0.218 168 P C 1.305 178.637 177.300 0.053 0.000 1.149 168 P CA 1.778 64.882 63.100 0.007 0.000 0.817 168 P CB -0.106 31.595 31.700 0.003 0.000 0.785 169 A N -0.753 122.089 122.820 0.038 0.000 1.929 169 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 169 A C 2.288 180.035 177.584 0.273 0.000 1.176 169 A CA 1.445 53.572 52.037 0.150 0.000 0.628 169 A CB -1.594 17.451 19.000 0.074 0.000 0.816 169 A HN -0.002 nan 8.150 nan 0.000 0.444 170 V N 1.140 121.115 119.914 0.102 0.000 2.295 170 V HA -0.241 3.878 4.120 -0.001 0.000 0.246 170 V C 2.188 178.451 176.094 0.282 0.000 1.049 170 V CA 2.125 64.582 62.300 0.261 0.000 1.024 170 V CB -0.860 31.042 31.823 0.131 0.000 0.648 170 V HN 0.558 nan 8.190 nan 0.000 0.447 171 N N -0.007 118.798 118.700 0.175 0.000 2.309 171 N HA -0.144 4.596 4.740 -0.001 0.000 0.182 171 N C 1.813 177.423 175.510 0.167 0.000 1.018 171 N CA 1.061 54.208 53.050 0.162 0.000 0.876 171 N CB -0.251 38.298 38.487 0.103 0.000 0.972 171 N HN 0.518 nan 8.380 nan 0.000 0.434 172 K N 1.036 121.537 120.400 0.169 0.000 2.057 172 K HA -0.023 4.296 4.320 -0.001 0.000 0.206 172 K C 1.691 178.387 176.600 0.161 0.000 1.050 172 K CA 0.799 57.172 56.287 0.144 0.000 0.935 172 K CB 0.151 32.734 32.500 0.139 0.000 0.715 172 K HN -0.117 nan 8.250 nan 0.000 0.439 173 V N 1.732 121.787 119.914 0.235 0.000 2.453 173 V HA -0.209 3.911 4.120 -0.001 0.000 0.247 173 V C 2.275 178.511 176.094 0.237 0.000 1.048 173 V CA 1.320 63.759 62.300 0.231 0.000 1.049 173 V CB -0.306 31.684 31.823 0.278 0.000 0.672 173 V HN 0.312 nan 8.190 nan 0.000 0.457 174 L N 0.155 121.532 121.223 0.256 0.000 2.083 174 L HA -0.213 4.126 4.340 -0.001 0.000 0.209 174 L C 2.296 179.290 176.870 0.207 0.000 1.083 174 L CA 2.080 57.082 54.840 0.269 0.000 0.752 174 L CB -0.512 41.747 42.059 0.334 0.000 0.899 174 L HN 0.433 nan 8.230 nan 0.000 0.433 175 D N -0.768 119.716 120.400 0.139 0.000 2.149 175 D HA -0.233 4.407 4.640 -0.001 0.000 0.201 175 D C 2.237 178.564 176.300 0.045 0.000 0.972 175 D CA 0.832 54.852 54.000 0.034 0.000 0.835 175 D CB 0.144 40.965 40.800 0.036 0.000 0.966 175 D HN 0.196 nan 8.370 nan 0.000 0.476 176 Q N -0.553 119.309 119.800 0.104 0.000 2.119 176 Q HA -0.153 4.186 4.340 -0.001 0.000 0.201 176 Q C 2.079 178.260 176.000 0.303 0.000 0.972 176 Q CA 1.063 56.942 55.803 0.128 0.000 0.847 176 Q CB -0.013 28.743 28.738 0.031 0.000 0.903 176 Q HN 0.384 nan 8.270 nan 0.000 0.433 177 M N -0.310 119.470 119.600 0.300 0.000 2.175 177 M HA -0.159 4.320 4.480 -0.001 0.000 0.264 177 M C 2.365 178.730 176.300 0.109 0.000 1.063 177 M CA 1.397 56.825 55.300 0.212 0.000 1.119 177 M CB -0.250 32.367 32.600 0.029 0.000 1.377 177 M HN 0.132 nan 8.290 nan 0.000 0.415 178 R N -0.250 120.269 120.500 0.032 0.000 2.070 178 R HA -0.171 4.169 4.340 -0.001 0.000 0.233 178 R C 2.397 178.660 176.300 -0.062 0.000 1.137 178 R CA 2.099 58.120 56.100 -0.131 0.000 0.945 178 R CB -0.480 29.474 30.300 -0.576 0.000 0.845 178 R HN 0.259 nan 8.270 nan 0.000 0.430 179 S N -0.296 115.403 115.700 -0.002 0.000 2.359 179 S HA -0.196 4.274 4.470 -0.001 0.000 0.224 179 S C 1.725 176.397 174.600 0.118 0.000 1.035 179 S CA 1.506 59.738 58.200 0.052 0.000 1.018 179 S CB -0.467 62.782 63.200 0.082 0.000 0.876 179 S HN 0.473 nan 8.310 nan 0.000 0.448 180 F N 2.606 122.581 119.950 0.041 0.000 2.113 180 F HA -0.039 4.488 4.527 -0.001 0.000 0.297 180 F C 2.670 178.415 175.800 -0.091 0.000 1.103 180 F CA 1.936 59.938 58.000 0.002 0.000 1.248 180 F CB -0.905 38.156 39.000 0.101 0.000 0.999 180 F HN 0.386 nan 8.300 nan 0.000 0.475 181 S N -0.414 115.204 115.700 -0.138 0.000 2.399 181 S HA -0.194 4.276 4.470 -0.001 0.000 0.231 181 S C 1.859 176.330 174.600 -0.215 0.000 1.022 181 S CA 1.296 59.348 58.200 -0.247 0.000 0.983 181 S CB -0.648 62.481 63.200 -0.118 0.000 0.803 181 S HN 0.450 nan 8.310 nan 0.000 0.480 182 E N 1.733 121.859 120.200 -0.123 0.000 2.106 182 E HA -0.001 4.348 4.350 -0.001 0.000 0.192 182 E C 2.042 178.586 176.600 -0.093 0.000 0.984 182 E CA 0.903 57.255 56.400 -0.080 0.000 0.806 182 E CB -0.236 29.441 29.700 -0.039 0.000 0.750 182 E HN 0.675 nan 8.360 nan 0.000 0.458 183 K N 0.288 120.619 120.400 -0.115 0.000 2.097 183 K HA -0.053 4.267 4.320 -0.001 0.000 0.205 183 K C 2.195 178.734 176.600 -0.101 0.000 1.050 183 K CA 0.887 57.146 56.287 -0.047 0.000 0.938 183 K CB 0.047 32.603 32.500 0.094 0.000 0.718 183 K HN -0.055 nan 8.250 nan 0.000 0.442 184 V N 1.202 120.918 119.914 -0.330 0.000 2.323 184 V HA -0.191 3.928 4.120 -0.001 0.000 0.244 184 V C 2.139 178.125 176.094 -0.181 0.000 1.041 184 V CA 1.558 63.664 62.300 -0.324 0.000 1.025 184 V CB -0.408 31.065 31.823 -0.584 0.000 0.656 184 V HN 0.240 nan 8.190 nan 0.000 0.451 185 R N 0.616 121.016 120.500 -0.167 0.000 2.092 185 R HA -0.119 4.220 4.340 -0.001 0.000 0.231 185 R C 2.342 178.600 176.300 -0.069 0.000 1.119 185 R CA 1.862 57.898 56.100 -0.106 0.000 0.970 185 R CB -0.620 29.629 30.300 -0.085 0.000 0.864 185 R HN 0.722 nan 8.270 nan 0.000 0.440 186 T N -3.459 111.061 114.554 -0.056 0.000 3.088 186 T HA 0.154 4.504 4.350 -0.001 0.000 0.259 186 T C 1.421 176.104 174.700 -0.027 0.000 1.122 186 T CA 0.600 62.680 62.100 -0.033 0.000 1.095 186 T CB 0.588 69.443 68.868 -0.021 0.000 0.930 186 T HN 0.404 nan 8.240 nan 0.000 0.508 187 G N 1.163 109.946 108.800 -0.028 0.000 2.157 187 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.239 187 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.239 187 G C 0.526 175.428 174.900 0.003 0.000 0.982 187 G CA 0.454 45.545 45.100 -0.015 0.000 0.650 187 G HN 0.570 nan 8.290 nan 0.000 0.527 188 E N -1.000 119.210 120.200 0.017 0.000 2.107 188 E HA -0.050 4.300 4.350 -0.001 0.000 0.191 188 E C 0.749 177.373 176.600 0.041 0.000 0.982 188 E CA -0.035 56.379 56.400 0.023 0.000 0.809 188 E CB 0.009 29.730 29.700 0.036 0.000 0.756 188 E HN 0.513 nan 8.360 nan 0.000 0.459 189 W N 2.982 124.222 121.300 -0.101 0.000 2.419 189 W HA 0.084 4.744 4.660 -0.001 0.000 0.312 189 W C -0.561 175.906 176.519 -0.086 0.000 1.323 189 W CA -0.099 57.191 57.345 -0.093 0.000 1.293 189 W CB 0.516 29.873 29.460 -0.170 0.000 1.324 189 W HN -0.139 nan 8.180 nan 0.000 0.512 190 K N 4.206 124.433 120.400 -0.288 0.000 2.156 190 K HA 0.518 4.837 4.320 -0.001 0.000 0.250 190 K C 0.500 176.981 176.600 -0.198 0.000 0.955 190 K CA -0.595 55.591 56.287 -0.168 0.000 0.855 190 K CB 1.430 33.839 32.500 -0.152 0.000 1.101 190 K HN 0.576 nan 8.250 nan 0.000 0.434 191 G N -0.266 108.481 108.800 -0.089 0.000 2.563 191 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.283 191 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.283 191 G C 0.698 175.665 174.900 0.112 0.000 1.309 191 G CA 0.034 45.055 45.100 -0.132 0.000 1.022 191 G HN 0.745 nan 8.290 nan 0.000 0.501 192 H N -0.939 118.333 119.070 0.337 0.000 2.421 192 H HA -0.102 4.454 4.556 -0.001 0.000 0.298 192 H C 2.557 177.974 175.328 0.148 0.000 1.087 192 H CA 2.187 58.387 56.048 0.253 0.000 1.330 192 H CB 0.056 30.017 29.762 0.332 0.000 1.388 192 H HN 0.438 nan 8.280 nan 0.000 0.526 193 T N -3.934 110.704 114.554 0.140 0.000 3.122 193 T HA 0.296 4.645 4.350 -0.001 0.000 0.250 193 T C 1.539 176.247 174.700 0.015 0.000 1.067 193 T CA 0.351 62.474 62.100 0.038 0.000 0.966 193 T CB -0.026 68.909 68.868 0.111 0.000 1.002 193 T HN 0.489 nan 8.240 nan 0.000 0.542 194 G N 1.384 110.189 108.800 0.007 0.000 2.157 194 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.248 194 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.248 194 G C -0.053 174.845 174.900 -0.003 0.000 0.979 194 G CA -0.165 44.926 45.100 -0.016 0.000 0.650 194 G HN 0.628 nan 8.290 nan 0.000 0.529 195 K N 0.683 121.098 120.400 0.025 0.000 2.185 195 K HA 0.659 4.978 4.320 -0.001 0.000 0.271 195 K C 0.845 177.453 176.600 0.013 0.000 1.013 195 K CA 0.076 56.377 56.287 0.024 0.000 0.943 195 K CB 1.318 33.847 32.500 0.049 0.000 0.998 195 K HN 0.469 nan 8.250 nan 0.000 0.468 196 A N 2.917 125.739 122.820 0.003 0.000 2.386 196 A HA 0.210 4.530 4.320 -0.001 0.000 0.248 196 A C 0.154 177.736 177.584 -0.004 0.000 1.082 196 A CA -0.499 51.537 52.037 -0.002 0.000 0.789 196 A CB 0.135 19.126 19.000 -0.016 0.000 1.025 196 A HN 0.547 nan 8.150 nan 0.000 0.490 197 I N 2.010 122.577 120.570 -0.005 0.000 2.533 197 I HA 0.150 4.319 4.170 -0.001 0.000 0.284 197 I C 1.108 177.167 176.117 -0.096 0.000 1.109 197 I CA 0.468 61.746 61.300 -0.036 0.000 1.412 197 I CB 0.440 38.411 38.000 -0.049 0.000 1.396 197 I HN 0.755 nan 8.210 nan 0.000 0.543 198 R N 4.366 124.786 120.500 -0.133 0.000 2.369 198 R HA 0.191 4.531 4.340 -0.001 0.000 0.210 198 R C -0.070 175.936 176.300 -0.490 0.000 0.881 198 R CA 0.208 56.131 56.100 -0.295 0.000 1.031 198 R CB 0.601 30.701 30.300 -0.333 0.000 1.184 198 R HN 0.588 nan 8.270 nan 0.000 0.581 199 H N 0.153 119.172 119.070 -0.085 0.000 2.589 199 H HA 0.381 4.937 4.556 -0.001 0.000 0.351 199 H C -0.824 174.405 175.328 -0.164 0.000 1.074 199 H CA -0.659 55.347 56.048 -0.070 0.000 1.203 199 H CB 2.783 32.490 29.762 -0.092 0.000 1.558 199 H HN -0.270 nan 8.280 nan 0.000 0.522 200 V N 4.129 124.020 119.914 -0.038 0.000 2.350 200 V HA 0.172 4.291 4.120 -0.001 0.000 0.285 200 V C 0.015 175.988 176.094 -0.201 0.000 1.014 200 V CA -0.744 61.451 62.300 -0.175 0.000 0.831 200 V CB 1.704 33.408 31.823 -0.198 0.000 1.000 200 V HN 0.449 nan 8.190 nan 0.000 0.433 201 V N 4.541 124.292 119.914 -0.272 0.000 2.328 201 V HA 0.360 4.479 4.120 -0.001 0.000 0.278 201 V C 0.085 176.082 176.094 -0.162 0.000 1.021 201 V CA -0.648 61.520 62.300 -0.221 0.000 0.838 201 V CB 1.471 33.182 31.823 -0.186 0.000 0.999 201 V HN 0.905 nan 8.190 nan 0.000 0.447 202 N N 4.513 123.055 118.700 -0.263 0.000 2.472 202 N HA 0.518 5.258 4.740 -0.001 0.000 0.277 202 N C -0.868 174.645 175.510 0.004 0.000 1.081 202 N CA -0.278 52.703 53.050 -0.115 0.000 0.973 202 N CB 0.836 39.269 38.487 -0.089 0.000 1.105 202 N HN 0.634 nan 8.380 nan 0.000 0.470 203 I N 2.815 123.408 120.570 0.039 0.000 2.390 203 I HA 0.603 4.772 4.170 -0.001 0.000 0.283 203 I C 0.461 176.590 176.117 0.020 0.000 1.016 203 I CA -0.483 60.840 61.300 0.039 0.000 1.151 203 I CB 1.405 39.426 38.000 0.036 0.000 1.293 203 I HN 0.620 nan 8.210 nan 0.000 0.458 204 G N 5.932 114.756 108.800 0.039 0.000 2.489 204 G HA2 0.583 4.542 3.960 -0.001 0.000 0.291 204 G HA3 0.583 4.542 3.960 -0.001 0.000 0.291 204 G C -2.118 172.805 174.900 0.039 0.000 1.487 204 G CA -0.472 44.641 45.100 0.021 0.000 0.795 204 G HN 0.458 nan 8.290 nan 0.000 0.513 205 I N 0.025 120.605 120.570 0.016 0.000 2.828 205 I HA 0.649 4.819 4.170 -0.001 0.000 0.302 205 I C 1.092 177.206 176.117 -0.005 0.000 1.101 205 I CA 0.791 62.099 61.300 0.014 0.000 1.031 205 I CB 2.014 40.020 38.000 0.008 0.000 1.231 205 I HN 1.846 nan 8.210 nan 0.000 0.427 206 G N 4.056 112.844 108.800 -0.021 0.000 2.602 206 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.310 206 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.310 206 G C 0.930 175.798 174.900 -0.053 0.000 1.183 206 G CA 0.484 45.556 45.100 -0.047 0.000 0.979 206 G HN 1.258 nan 8.290 nan 0.000 0.545 207 G N -0.479 108.292 108.800 -0.048 0.000 2.509 207 G HA2 0.196 4.156 3.960 -0.001 0.000 0.218 207 G HA3 0.196 4.156 3.960 -0.001 0.000 0.218 207 G C 1.577 176.461 174.900 -0.027 0.000 1.124 207 G CA 1.851 46.924 45.100 -0.045 0.000 0.776 207 G HN 1.187 nan 8.290 nan 0.000 0.547 208 S N -0.576 115.119 115.700 -0.009 0.000 2.614 208 S HA 0.223 4.693 4.470 -0.001 0.000 0.230 208 S C 0.813 175.421 174.600 0.014 0.000 0.952 208 S CA 0.398 58.596 58.200 -0.003 0.000 0.949 208 S CB 0.333 63.550 63.200 0.028 0.000 0.786 208 S HN 0.592 nan 8.310 nan 0.000 0.478 209 D N 0.281 120.679 120.400 -0.003 0.000 2.690 209 D HA 0.181 4.820 4.640 -0.001 0.000 0.235 209 D C 1.489 177.730 176.300 -0.100 0.000 1.327 209 D CA -0.136 53.862 54.000 -0.003 0.000 1.264 209 D CB -0.430 40.380 40.800 0.018 0.000 1.574 209 D HN 0.134 nan 8.370 nan 0.000 0.421 210 L N 0.808 121.987 121.223 -0.074 0.000 2.043 210 L HA 0.030 4.369 4.340 -0.001 0.000 0.212 210 L C 2.460 179.316 176.870 -0.023 0.000 1.075 210 L CA 1.730 56.536 54.840 -0.056 0.000 0.752 210 L CB -0.675 41.380 42.059 -0.006 0.000 0.891 210 L HN 0.269 nan 8.230 nan 0.000 0.432 211 G N 0.206 109.020 108.800 0.024 0.000 2.453 211 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.215 211 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.215 211 G C -0.695 174.025 174.900 -0.299 0.000 1.201 211 G CA 0.625 45.605 45.100 -0.200 0.000 0.784 211 G HN 0.293 nan 8.290 nan 0.000 0.545 212 P HA -0.052 nan 4.420 nan 0.000 0.216 212 P C 2.148 179.243 177.300 -0.341 0.000 1.150 212 P CA 0.853 63.883 63.100 -0.116 0.000 0.837 212 P CB -0.038 31.723 31.700 0.100 0.000 0.786 213 V N -0.409 119.093 119.914 -0.686 0.000 2.244 213 V HA -0.242 3.877 4.120 -0.001 0.000 0.244 213 V C 2.434 178.205 176.094 -0.539 0.000 1.042 213 V CA 1.825 63.543 62.300 -0.970 0.000 1.006 213 V CB -1.128 30.180 31.823 -0.858 0.000 0.641 213 V HN 0.162 nan 8.190 nan 0.000 0.446 214 M N 0.642 119.968 119.600 -0.457 0.000 2.080 214 M HA -0.195 4.284 4.480 -0.001 0.000 0.260 214 M C 2.129 178.228 176.300 -0.334 0.000 1.068 214 M CA 2.802 57.852 55.300 -0.416 0.000 1.109 214 M CB -0.854 31.461 32.600 -0.475 0.000 1.342 214 M HN 0.337 nan 8.290 nan 0.000 0.405 215 A N -0.182 122.433 122.820 -0.342 0.000 1.929 215 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 215 A C 2.117 179.623 177.584 -0.130 0.000 1.176 215 A CA 2.332 54.217 52.037 -0.252 0.000 0.628 215 A CB -1.283 17.544 19.000 -0.288 0.000 0.816 215 A HN 0.716 nan 8.150 nan 0.000 0.444 216 T N -2.521 111.980 114.554 -0.088 0.000 2.904 216 T HA -0.076 4.274 4.350 -0.001 0.000 0.267 216 T C 1.547 176.261 174.700 0.024 0.000 1.059 216 T CA 1.318 63.425 62.100 0.012 0.000 1.137 216 T CB -0.171 68.781 68.868 0.141 0.000 0.879 216 T HN 0.385 nan 8.240 nan 0.000 0.467 217 E N 1.689 121.886 120.200 -0.004 0.000 2.072 217 E HA 0.136 4.486 4.350 -0.001 0.000 0.190 217 E C 2.647 179.330 176.600 0.140 0.000 0.982 217 E CA 1.202 57.671 56.400 0.116 0.000 0.803 217 E CB -0.668 29.073 29.700 0.068 0.000 0.755 217 E HN 0.655 nan 8.360 nan 0.000 0.453 218 A N 0.895 123.732 122.820 0.029 0.000 1.972 218 A HA -0.080 4.239 4.320 -0.001 0.000 0.219 218 A C 1.923 179.475 177.584 -0.053 0.000 1.169 218 A CA 0.925 52.986 52.037 0.040 0.000 0.635 218 A CB -0.310 18.672 19.000 -0.031 0.000 0.810 218 A HN 0.176 nan 8.150 nan 0.000 0.446 219 L N -1.048 120.139 121.223 -0.060 0.000 2.984 219 L HA 0.205 4.545 4.340 -0.001 0.000 0.246 219 L C 1.572 178.436 176.870 -0.010 0.000 1.268 219 L CA -0.139 54.714 54.840 0.022 0.000 1.054 219 L CB 0.068 42.136 42.059 0.016 0.000 1.393 219 L HN 0.328 nan 8.230 nan 0.000 0.532 220 K N 1.498 121.760 120.400 -0.230 0.000 2.152 220 K HA -0.128 4.191 4.320 -0.001 0.000 0.206 220 K C -0.687 175.749 176.600 -0.273 0.000 1.048 220 K CA 1.314 57.479 56.287 -0.203 0.000 0.933 220 K CB -0.253 32.189 32.500 -0.096 0.000 0.721 220 K HN 0.231 nan 8.250 nan 0.000 0.447 221 P HA -0.081 nan 4.420 nan 0.000 0.226 221 P C 0.082 176.997 177.300 -0.641 0.000 1.153 221 P CA 0.962 63.714 63.100 -0.579 0.000 0.777 221 P CB 0.132 31.332 31.700 -0.833 0.000 0.794 222 F N -1.116 118.746 119.950 -0.147 0.000 2.641 222 F HA 0.159 4.685 4.527 -0.001 0.000 0.302 222 F C 1.369 177.127 175.800 -0.070 0.000 1.098 222 F CA -0.329 57.615 58.000 -0.092 0.000 1.318 222 F CB -0.433 38.514 39.000 -0.088 0.000 1.035 222 F HN -0.165 nan 8.300 nan 0.000 0.551 223 S N -0.457 115.255 115.700 0.020 0.000 2.672 223 S HA 0.295 4.764 4.470 -0.001 0.000 0.276 223 S C -0.265 174.322 174.600 -0.021 0.000 1.207 223 S CA -0.794 57.410 58.200 0.007 0.000 1.002 223 S CB 1.498 64.692 63.200 -0.010 0.000 0.998 223 S HN 0.293 nan 8.310 nan 0.000 0.542 224 Q N 0.640 120.426 119.800 -0.025 0.000 2.377 224 Q HA 0.253 4.592 4.340 -0.001 0.000 0.249 224 Q C 0.765 176.733 176.000 -0.053 0.000 1.005 224 Q CA -0.857 54.923 55.803 -0.039 0.000 0.912 224 Q CB 0.497 29.209 28.738 -0.043 0.000 1.223 224 Q HN 0.591 nan 8.270 nan 0.000 0.459 225 R N 2.157 122.625 120.500 -0.054 0.000 2.200 225 R HA -0.140 4.199 4.340 -0.001 0.000 0.234 225 R C 0.725 176.983 176.300 -0.070 0.000 1.127 225 R CA 1.329 57.395 56.100 -0.057 0.000 0.989 225 R CB -0.169 30.101 30.300 -0.051 0.000 0.869 225 R HN 0.727 nan 8.270 nan 0.000 0.459 226 D N -0.412 119.942 120.400 -0.076 0.000 2.349 226 D HA -0.057 4.583 4.640 -0.001 0.000 0.224 226 D C 0.325 176.544 176.300 -0.135 0.000 1.029 226 D CA 0.228 54.171 54.000 -0.095 0.000 0.879 226 D CB -0.131 40.621 40.800 -0.081 0.000 0.906 226 D HN 0.099 nan 8.370 nan 0.000 0.528 227 L N 0.915 122.061 121.223 -0.129 0.000 2.295 227 L HA 0.319 4.659 4.340 -0.001 0.000 0.281 227 L C -0.323 176.452 176.870 -0.158 0.000 1.018 227 L CA -0.635 54.111 54.840 -0.157 0.000 0.841 227 L CB 1.651 43.630 42.059 -0.133 0.000 1.218 227 L HN -0.175 nan 8.230 nan 0.000 0.424 228 S N 4.439 120.022 115.700 -0.196 0.000 2.474 228 S HA 0.421 4.890 4.470 -0.001 0.000 0.276 228 S C -0.086 174.356 174.600 -0.264 0.000 1.227 228 S CA -0.526 57.559 58.200 -0.192 0.000 1.050 228 S CB 0.805 63.956 63.200 -0.081 0.000 0.939 228 S HN 0.293 nan 8.310 nan 0.000 0.490 229 L N 5.317 126.338 121.223 -0.336 0.000 2.289 229 L HA 0.429 4.769 4.340 -0.001 0.000 0.285 229 L C 0.186 176.676 176.870 -0.633 0.000 1.049 229 L CA -0.022 54.574 54.840 -0.407 0.000 0.804 229 L CB 0.585 42.513 42.059 -0.218 0.000 1.195 229 L HN 0.675 nan 8.230 nan 0.000 0.428 230 H N 3.994 122.772 119.070 -0.486 0.000 2.690 230 H HA 0.445 5.000 4.556 -0.001 0.000 0.368 230 H C -1.300 173.612 175.328 -0.694 0.000 1.150 230 H CA -0.436 55.394 56.048 -0.363 0.000 1.174 230 H CB 2.214 31.853 29.762 -0.204 0.000 1.684 230 H HN 0.297 nan 8.280 nan 0.000 0.538 231 F N 1.094 121.061 119.950 0.028 0.000 2.496 231 F HA 0.255 4.782 4.527 -0.000 0.000 0.341 231 F C -0.115 175.555 175.800 -0.217 0.000 1.134 231 F CA -0.792 57.181 58.000 -0.045 0.000 0.968 231 F CB 1.660 40.651 39.000 -0.014 0.000 1.205 231 F HN 0.113 nan 8.300 nan 0.000 0.436 232 V N 3.110 122.989 119.914 -0.059 0.000 2.350 232 V HA 0.374 4.494 4.120 -0.001 0.000 0.276 232 V C 0.224 176.343 176.094 0.040 0.000 1.028 232 V CA 0.081 62.267 62.300 -0.190 0.000 0.860 232 V CB 1.160 32.940 31.823 -0.071 0.000 0.990 232 V HN 0.956 nan 8.190 nan 0.000 0.453 233 S N 3.013 118.852 115.700 0.232 0.000 3.325 233 S HA 0.157 4.626 4.470 -0.001 0.000 0.254 233 S C 0.717 175.445 174.600 0.214 0.000 1.084 233 S CA -0.218 58.121 58.200 0.231 0.000 0.786 233 S CB -0.120 63.210 63.200 0.218 0.000 0.849 233 S HN 0.541 nan 8.310 nan 0.000 0.483 234 N N 1.872 120.761 118.700 0.315 0.000 2.492 234 N HA 0.130 4.869 4.740 -0.001 0.000 0.260 234 N C 0.724 176.300 175.510 0.110 0.000 1.215 234 N CA 0.280 53.392 53.050 0.103 0.000 0.923 234 N CB 1.495 39.935 38.487 -0.077 0.000 1.092 234 N HN 0.167 nan 8.380 nan 0.000 0.448 235 V N 1.918 121.862 119.914 0.050 0.000 3.380 235 V HA -0.062 4.057 4.120 -0.001 0.000 0.268 235 V C 0.318 176.440 176.094 0.046 0.000 1.168 235 V CA 0.465 62.791 62.300 0.042 0.000 1.156 235 V CB -0.749 31.084 31.823 0.017 0.000 0.785 235 V HN 0.674 nan 8.190 nan 0.000 0.487 236 D N 0.526 120.950 120.400 0.041 0.000 2.472 236 D HA 0.076 4.715 4.640 -0.001 0.000 0.248 236 D C 1.502 177.845 176.300 0.071 0.000 1.174 236 D CA 0.912 54.936 54.000 0.040 0.000 0.883 236 D CB 1.409 42.215 40.800 0.010 0.000 1.149 236 D HN 0.267 nan 8.370 nan 0.000 0.488 237 G N 3.231 112.069 108.800 0.064 0.000 2.532 237 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.222 237 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.222 237 G C 1.466 176.415 174.900 0.081 0.000 1.102 237 G CA 1.179 46.320 45.100 0.067 0.000 0.742 237 G HN 0.585 nan 8.290 nan 0.000 0.577 238 T N -0.144 114.460 114.554 0.084 0.000 2.720 238 T HA -0.130 4.220 4.350 -0.001 0.000 0.268 238 T C 2.101 176.898 174.700 0.162 0.000 1.037 238 T CA 1.490 63.647 62.100 0.095 0.000 1.144 238 T CB -0.291 68.618 68.868 0.069 0.000 0.864 238 T HN 0.371 nan 8.240 nan 0.000 0.444 239 H N 0.406 119.504 119.070 0.047 0.000 2.293 239 H HA 0.015 4.570 4.556 -0.001 0.000 0.300 239 H C 2.072 177.435 175.328 0.059 0.000 1.082 239 H CA 1.006 57.090 56.048 0.059 0.000 1.308 239 H CB -0.583 29.215 29.762 0.061 0.000 1.375 239 H HN 0.218 nan 8.280 nan 0.000 0.495 240 I N 0.460 121.103 120.570 0.123 0.000 2.439 240 I HA -0.059 4.110 4.170 -0.001 0.000 0.251 240 I C 2.328 178.469 176.117 0.040 0.000 1.139 240 I CA 1.270 62.599 61.300 0.047 0.000 1.438 240 I CB -0.913 37.112 38.000 0.042 0.000 1.085 240 I HN 0.253 nan 8.210 nan 0.000 0.427 241 A N 0.031 122.886 122.820 0.058 0.000 1.877 241 A HA -0.167 4.153 4.320 -0.001 0.000 0.216 241 A C 2.173 179.779 177.584 0.037 0.000 1.186 241 A CA 1.635 53.699 52.037 0.045 0.000 0.620 241 A CB -0.620 18.411 19.000 0.052 0.000 0.822 241 A HN 0.440 nan 8.150 nan 0.000 0.443 242 E N -0.226 120.009 120.200 0.059 0.000 2.150 242 E HA -0.079 4.271 4.350 -0.001 0.000 0.193 242 E C 2.151 178.763 176.600 0.020 0.000 0.985 242 E CA 1.093 57.527 56.400 0.056 0.000 0.814 242 E CB -0.378 29.385 29.700 0.104 0.000 0.752 242 E HN 0.402 nan 8.360 nan 0.000 0.466 243 V N 1.308 121.218 119.914 -0.007 0.000 2.453 243 V HA -0.175 3.945 4.120 -0.001 0.000 0.247 243 V C 2.431 178.428 176.094 -0.161 0.000 1.048 243 V CA 1.001 63.243 62.300 -0.097 0.000 1.049 243 V CB -0.376 31.388 31.823 -0.099 0.000 0.672 243 V HN 0.202 nan 8.190 nan 0.000 0.457 244 L N -0.471 120.709 121.223 -0.073 0.000 2.191 244 L HA -0.165 4.174 4.340 -0.001 0.000 0.212 244 L C 2.430 179.249 176.870 -0.085 0.000 1.103 244 L CA 1.472 56.273 54.840 -0.065 0.000 0.769 244 L CB -0.506 41.550 42.059 -0.005 0.000 0.908 244 L HN 0.300 nan 8.230 nan 0.000 0.438 245 K N -0.699 119.665 120.400 -0.060 0.000 2.296 245 K HA 0.004 4.324 4.320 -0.001 0.000 0.200 245 K C 1.773 178.330 176.600 -0.071 0.000 1.048 245 K CA 0.875 57.136 56.287 -0.043 0.000 0.966 245 K CB 0.165 32.661 32.500 -0.007 0.000 0.754 245 K HN 0.170 nan 8.250 nan 0.000 0.466 246 S N 0.768 116.395 115.700 -0.121 0.000 2.556 246 S HA 0.166 4.636 4.470 -0.001 0.000 0.216 246 S C 0.610 175.011 174.600 -0.332 0.000 0.970 246 S CA -0.304 57.820 58.200 -0.128 0.000 0.912 246 S CB -0.161 63.023 63.200 -0.026 0.000 0.790 246 S HN 0.276 nan 8.310 nan 0.000 0.504 247 I N -1.587 118.699 120.570 -0.475 0.000 2.957 247 I HA 0.662 4.832 4.170 -0.001 0.000 0.310 247 I C -1.350 174.477 176.117 -0.483 0.000 1.063 247 I CA -1.070 59.730 61.300 -0.834 0.000 1.033 247 I CB 1.637 39.129 38.000 -0.847 0.000 1.230 247 I HN -0.265 nan 8.210 nan 0.000 0.447 248 D N 3.348 123.472 120.400 -0.460 0.000 2.493 248 D HA 0.257 4.897 4.640 -0.001 0.000 0.235 248 D C 0.696 176.877 176.300 -0.198 0.000 1.117 248 D CA -0.399 53.484 54.000 -0.195 0.000 0.930 248 D CB 0.913 41.718 40.800 0.007 0.000 1.010 248 D HN 0.723 nan 8.370 nan 0.000 0.514 249 I N 2.579 122.963 120.570 -0.309 0.000 2.381 249 I HA -0.265 3.905 4.170 -0.001 0.000 0.255 249 I C 1.711 177.742 176.117 -0.142 0.000 1.140 249 I CA 1.397 62.548 61.300 -0.249 0.000 1.404 249 I CB 0.294 38.112 38.000 -0.303 0.000 1.075 249 I HN 0.423 nan 8.210 nan 0.000 0.433 250 E N 0.100 120.210 120.200 -0.151 0.000 2.208 250 E HA -0.073 4.277 4.350 -0.001 0.000 0.193 250 E C 1.437 178.162 176.600 0.209 0.000 0.988 250 E CA 0.890 57.342 56.400 0.086 0.000 0.828 250 E CB -0.040 29.700 29.700 0.067 0.000 0.763 250 E HN 0.571 nan 8.360 nan 0.000 0.478 251 A N 0.917 123.802 122.820 0.109 0.000 2.630 251 A HA 0.186 4.506 4.320 -0.001 0.000 0.290 251 A C -0.035 177.588 177.584 0.065 0.000 1.267 251 A CA -0.255 51.838 52.037 0.093 0.000 0.950 251 A CB 0.440 19.485 19.000 0.076 0.000 1.144 251 A HN -0.067 nan 8.150 nan 0.000 0.527 252 T N 0.641 115.216 114.554 0.037 0.000 2.797 252 T HA 0.520 4.869 4.350 -0.001 0.000 0.279 252 T C -0.887 173.673 174.700 -0.232 0.000 0.991 252 T CA -0.286 61.702 62.100 -0.187 0.000 0.979 252 T CB 1.537 70.102 68.868 -0.504 0.000 0.943 252 T HN 0.259 nan 8.240 nan 0.000 0.444 253 L N 4.021 125.047 121.223 -0.327 0.000 2.287 253 L HA 0.666 5.005 4.340 -0.001 0.000 0.287 253 L C -1.554 175.041 176.870 -0.459 0.000 1.022 253 L CA -0.482 54.202 54.840 -0.260 0.000 0.814 253 L CB 0.154 42.116 42.059 -0.161 0.000 1.217 253 L HN 0.489 nan 8.230 nan 0.000 0.420 254 F N 5.907 125.670 119.950 -0.312 0.000 2.415 254 F HA 0.513 5.039 4.527 -0.001 0.000 0.348 254 F C 0.148 175.801 175.800 -0.246 0.000 1.119 254 F CA -0.380 57.374 58.000 -0.409 0.000 1.069 254 F CB 1.149 39.606 39.000 -0.906 0.000 1.124 254 F HN 0.258 nan 8.300 nan 0.000 0.472 255 I N 4.531 125.118 120.570 0.028 0.000 2.354 255 I HA 0.276 4.446 4.170 -0.001 0.000 0.286 255 I C -0.886 175.273 176.117 0.069 0.000 1.007 255 I CA -0.835 60.479 61.300 0.023 0.000 1.167 255 I CB 1.344 39.306 38.000 -0.063 0.000 1.320 255 I HN 0.183 nan 8.210 nan 0.000 0.458 256 V N 6.203 126.192 119.914 0.126 0.000 2.353 256 V HA 0.431 4.550 4.120 -0.001 0.000 0.264 256 V C 0.635 176.804 176.094 0.126 0.000 1.049 256 V CA -0.434 61.913 62.300 0.078 0.000 0.896 256 V CB 0.865 32.691 31.823 0.005 0.000 1.025 256 V HN 0.799 nan 8.190 nan 0.000 0.475 257 A N 4.143 126.998 122.820 0.059 0.000 2.249 257 A HA 0.806 5.126 4.320 -0.001 0.000 0.314 257 A C 0.054 177.684 177.584 0.077 0.000 1.290 257 A CA -0.331 51.761 52.037 0.091 0.000 0.893 257 A CB 1.100 20.124 19.000 0.041 0.000 1.165 257 A HN 0.843 nan 8.150 nan 0.000 0.530 258 S N 1.867 117.682 115.700 0.192 0.000 2.590 258 S HA 0.238 4.708 4.470 -0.001 0.000 0.286 258 S C 0.472 175.246 174.600 0.290 0.000 1.147 258 S CA -0.414 57.881 58.200 0.159 0.000 0.963 258 S CB 1.079 64.243 63.200 -0.059 0.000 1.124 258 S HN 0.820 nan 8.310 nan 0.000 0.458 259 K N 2.111 122.678 120.400 0.278 0.000 2.026 259 K HA -0.107 4.213 4.320 -0.001 0.000 0.208 259 K C 1.835 178.419 176.600 -0.026 0.000 1.048 259 K CA 2.484 58.860 56.287 0.147 0.000 0.929 259 K CB -0.382 32.238 32.500 0.199 0.000 0.713 259 K HN 0.775 nan 8.250 nan 0.000 0.439 260 T N -2.990 111.590 114.554 0.044 0.000 3.009 260 T HA -0.025 4.325 4.350 -0.001 0.000 0.258 260 T C 0.856 175.641 174.700 0.141 0.000 1.063 260 T CA 0.491 62.612 62.100 0.035 0.000 1.139 260 T CB -0.201 68.677 68.868 0.017 0.000 0.890 260 T HN 0.318 nan 8.240 nan 0.000 0.471 261 F N 2.048 121.966 119.950 -0.053 0.000 2.965 261 F HA -0.267 4.260 4.527 -0.001 0.000 0.287 261 F C 0.985 176.760 175.800 -0.043 0.000 0.790 261 F CA 1.009 58.974 58.000 -0.058 0.000 1.279 261 F CB -1.726 37.230 39.000 -0.073 0.000 1.409 261 F HN 0.534 nan 8.300 nan 0.000 0.446 262 T N -5.130 109.420 114.554 -0.006 0.000 3.041 262 T HA 0.198 4.547 4.350 -0.001 0.000 0.276 262 T C 0.587 175.258 174.700 -0.049 0.000 0.948 262 T CA 0.561 62.653 62.100 -0.014 0.000 0.885 262 T CB 0.118 68.999 68.868 0.023 0.000 1.175 262 T HN 0.121 nan 8.240 nan 0.000 0.529 263 T N 3.322 117.833 114.554 -0.072 0.000 2.831 263 T HA 0.063 4.413 4.350 -0.001 0.000 0.291 263 T C 1.282 175.937 174.700 -0.074 0.000 0.981 263 T CA 0.121 62.184 62.100 -0.063 0.000 1.174 263 T CB 1.225 70.056 68.868 -0.062 0.000 0.929 263 T HN 0.406 nan 8.240 nan 0.000 0.532 264 Q N 2.587 122.360 119.800 -0.045 0.000 2.096 264 Q HA -0.253 4.087 4.340 -0.001 0.000 0.208 264 Q C 1.807 177.783 176.000 -0.041 0.000 0.993 264 Q CA 2.033 57.813 55.803 -0.038 0.000 0.862 264 Q CB 0.046 28.771 28.738 -0.022 0.000 0.915 264 Q HN 0.723 nan 8.270 nan 0.000 0.416 265 E N -0.700 119.478 120.200 -0.036 0.000 2.038 265 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 265 E C 2.023 178.599 176.600 -0.041 0.000 1.000 265 E CA 2.020 58.406 56.400 -0.025 0.000 0.803 265 E CB -0.221 29.471 29.700 -0.012 0.000 0.750 265 E HN 0.353 nan 8.360 nan 0.000 0.448 266 T N 0.925 115.432 114.554 -0.079 0.000 2.777 266 T HA -0.084 4.265 4.350 -0.001 0.000 0.266 266 T C 1.702 176.286 174.700 -0.192 0.000 1.040 266 T CA 0.854 62.875 62.100 -0.132 0.000 1.141 266 T CB -0.080 68.681 68.868 -0.178 0.000 0.868 266 T HN 0.030 nan 8.240 nan 0.000 0.444 267 I N 1.839 122.287 120.570 -0.202 0.000 2.315 267 I HA -0.087 4.083 4.170 -0.001 0.000 0.248 267 I C 2.587 178.667 176.117 -0.063 0.000 1.117 267 I CA 1.323 62.512 61.300 -0.186 0.000 1.404 267 I CB -1.907 36.007 38.000 -0.145 0.000 1.071 267 I HN 0.246 nan 8.210 nan 0.000 0.419 268 T N 1.437 115.967 114.554 -0.041 0.000 2.746 268 T HA -0.121 4.228 4.350 -0.001 0.000 0.267 268 T C 1.786 176.486 174.700 0.001 0.000 1.039 268 T CA 1.327 63.422 62.100 -0.008 0.000 1.142 268 T CB -0.197 68.669 68.868 -0.004 0.000 0.866 268 T HN 0.256 nan 8.240 nan 0.000 0.444 269 N N 1.277 119.971 118.700 -0.010 0.000 2.142 269 N HA 0.039 4.778 4.740 -0.001 0.000 0.186 269 N C 2.122 177.633 175.510 0.003 0.000 1.023 269 N CA 1.237 54.287 53.050 0.001 0.000 0.852 269 N CB -0.509 37.982 38.487 0.006 0.000 0.998 269 N HN 0.415 nan 8.380 nan 0.000 0.424 270 A N 1.107 123.919 122.820 -0.014 0.000 1.933 270 A HA -0.036 4.283 4.320 -0.001 0.000 0.218 270 A C 2.356 180.062 177.584 0.203 0.000 1.175 270 A CA 0.859 52.920 52.037 0.040 0.000 0.628 270 A CB -0.652 18.204 19.000 -0.239 0.000 0.814 270 A HN 0.216 nan 8.150 nan 0.000 0.444 271 L N -0.651 120.673 121.223 0.168 0.000 2.141 271 L HA -0.115 4.225 4.340 -0.001 0.000 0.209 271 L C 2.703 179.581 176.870 0.013 0.000 1.094 271 L CA 1.303 56.210 54.840 0.113 0.000 0.763 271 L CB -0.295 41.806 42.059 0.072 0.000 0.908 271 L HN 0.307 nan 8.230 nan 0.000 0.437 272 S N -0.294 115.412 115.700 0.010 0.000 2.414 272 S HA -0.030 4.439 4.470 -0.001 0.000 0.227 272 S C 2.149 176.722 174.600 -0.044 0.000 1.022 272 S CA 0.941 59.133 58.200 -0.013 0.000 0.958 272 S CB -0.024 63.175 63.200 -0.002 0.000 0.797 272 S HN 0.468 nan 8.310 nan 0.000 0.493 273 A N 1.695 124.471 122.820 -0.074 0.000 1.929 273 A HA -0.024 4.295 4.320 -0.001 0.000 0.216 273 A C 2.048 179.553 177.584 -0.132 0.000 1.176 273 A CA 1.172 53.049 52.037 -0.267 0.000 0.628 273 A CB -0.407 18.293 19.000 -0.500 0.000 0.816 273 A HN 0.399 nan 8.150 nan 0.000 0.444 274 R N -0.636 119.861 120.500 -0.004 0.000 2.075 274 R HA -0.063 4.277 4.340 -0.001 0.000 0.232 274 R C 2.449 178.692 176.300 -0.095 0.000 1.126 274 R CA 1.306 57.325 56.100 -0.134 0.000 0.963 274 R CB -0.256 29.773 30.300 -0.452 0.000 0.858 274 R HN 0.506 nan 8.270 nan 0.000 0.435 275 R N 0.013 120.464 120.500 -0.081 0.000 2.096 275 R HA -0.095 4.244 4.340 -0.001 0.000 0.235 275 R C 1.987 178.279 176.300 -0.014 0.000 1.127 275 R CA 1.416 57.484 56.100 -0.054 0.000 0.968 275 R CB -0.197 30.077 30.300 -0.043 0.000 0.861 275 R HN 0.281 nan 8.270 nan 0.000 0.440 276 A N 1.073 123.888 122.820 -0.009 0.000 1.898 276 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 276 A C 2.013 179.643 177.584 0.076 0.000 1.181 276 A CA 1.092 53.146 52.037 0.029 0.000 0.620 276 A CB -0.504 18.503 19.000 0.013 0.000 0.819 276 A HN 0.369 nan 8.150 nan 0.000 0.442 277 L N -0.128 121.136 121.223 0.068 0.000 2.017 277 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 277 L C 2.237 179.162 176.870 0.092 0.000 1.073 277 L CA 1.751 56.649 54.840 0.095 0.000 0.745 277 L CB -0.466 41.672 42.059 0.132 0.000 0.894 277 L HN 0.394 nan 8.230 nan 0.000 0.432 278 L N -0.787 120.460 121.223 0.040 0.000 2.141 278 L HA -0.153 4.187 4.340 -0.001 0.000 0.209 278 L C 2.123 179.013 176.870 0.034 0.000 1.094 278 L CA 0.953 55.803 54.840 0.017 0.000 0.763 278 L CB -0.822 41.218 42.059 -0.033 0.000 0.908 278 L HN 0.262 nan 8.230 nan 0.000 0.437 279 D N -0.790 119.638 120.400 0.047 0.000 2.144 279 D HA -0.204 4.436 4.640 -0.001 0.000 0.200 279 D C 1.894 178.233 176.300 0.066 0.000 0.978 279 D CA 1.077 55.103 54.000 0.044 0.000 0.833 279 D CB -0.089 40.738 40.800 0.045 0.000 0.961 279 D HN 0.271 nan 8.370 nan 0.000 0.470 280 Y N 1.254 121.558 120.300 0.006 0.000 2.133 280 Y HA -0.122 4.427 4.550 -0.001 0.000 0.287 280 Y C 2.109 178.022 175.900 0.022 0.000 1.134 280 Y CA 1.358 59.467 58.100 0.015 0.000 1.133 280 Y CB -0.364 38.109 38.460 0.021 0.000 0.987 280 Y HN -0.100 nan 8.280 nan 0.000 0.502 281 L N -0.136 121.141 121.223 0.090 0.000 2.083 281 L HA -0.223 4.116 4.340 -0.001 0.000 0.209 281 L C 2.717 179.560 176.870 -0.045 0.000 1.083 281 L CA 1.644 56.504 54.840 0.034 0.000 0.752 281 L CB -0.563 41.575 42.059 0.132 0.000 0.899 281 L HN 0.144 nan 8.230 nan 0.000 0.433 282 R N 0.125 120.605 120.500 -0.033 0.000 2.092 282 R HA -0.145 4.194 4.340 -0.001 0.000 0.231 282 R C 2.600 178.856 176.300 -0.073 0.000 1.119 282 R CA 1.551 57.628 56.100 -0.039 0.000 0.970 282 R CB -0.074 30.212 30.300 -0.023 0.000 0.864 282 R HN 0.461 nan 8.270 nan 0.000 0.440 283 S N -0.217 115.413 115.700 -0.117 0.000 2.453 283 S HA -0.016 4.453 4.470 -0.001 0.000 0.231 283 S C 1.682 176.178 174.600 -0.173 0.000 1.005 283 S CA 0.419 58.537 58.200 -0.136 0.000 0.949 283 S CB 0.043 63.154 63.200 -0.148 0.000 0.774 283 S HN 0.244 nan 8.310 nan 0.000 0.510 284 R N 0.602 120.960 120.500 -0.236 0.000 2.312 284 R HA 0.257 4.597 4.340 -0.001 0.000 0.205 284 R C 1.599 177.837 176.300 -0.104 0.000 0.904 284 R CA 0.627 56.603 56.100 -0.207 0.000 1.052 284 R CB -0.372 29.740 30.300 -0.314 0.000 1.014 284 R HN 0.636 nan 8.270 nan 0.000 0.503 285 G N 1.780 110.533 108.800 -0.078 0.000 2.148 285 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.254 285 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.254 285 G C 0.236 175.127 174.900 -0.014 0.000 0.981 285 G CA 0.111 45.188 45.100 -0.038 0.000 0.670 285 G HN 0.270 nan 8.290 nan 0.000 0.528 286 I N 1.034 121.602 120.570 -0.004 0.000 2.474 286 I HA 0.233 4.402 4.170 -0.001 0.000 0.287 286 I C 0.588 176.754 176.117 0.081 0.000 1.048 286 I CA -0.707 60.619 61.300 0.043 0.000 1.383 286 I CB 0.831 38.878 38.000 0.078 0.000 1.412 286 I HN 0.037 nan 8.210 nan 0.000 0.531 287 D N 5.665 126.124 120.400 0.098 0.000 2.417 287 D HA -0.068 4.572 4.640 -0.001 0.000 0.250 287 D C 0.959 177.400 176.300 0.236 0.000 1.166 287 D CA 0.090 54.164 54.000 0.123 0.000 0.881 287 D CB 0.914 41.776 40.800 0.102 0.000 1.164 287 D HN 0.699 nan 8.370 nan 0.000 0.467 288 E N 2.914 123.183 120.200 0.116 0.000 2.489 288 E HA -0.039 4.310 4.350 -0.001 0.000 0.193 288 E C -0.118 176.445 176.600 -0.063 0.000 1.057 288 E CA -0.192 56.215 56.400 0.012 0.000 0.866 288 E CB 0.182 29.871 29.700 -0.019 0.000 0.916 288 E HN 0.122 nan 8.360 nan 0.000 0.500 289 K N 1.221 121.644 120.400 0.039 0.000 2.419 289 K HA 0.078 4.397 4.320 -0.001 0.000 0.282 289 K C 0.792 177.423 176.600 0.053 0.000 1.056 289 K CA 0.986 57.292 56.287 0.030 0.000 1.035 289 K CB 0.700 33.231 32.500 0.052 0.000 0.921 289 K HN 0.427 nan 8.250 nan 0.000 0.472 290 G N 1.841 110.642 108.800 0.001 0.000 2.157 290 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.248 290 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.248 290 G C 1.012 175.912 174.900 -0.000 0.000 0.979 290 G CA 0.745 45.869 45.100 0.041 0.000 0.650 290 G HN 0.587 nan 8.290 nan 0.000 0.529 291 S N -0.633 114.928 115.700 -0.233 0.000 2.371 291 S HA 0.025 4.494 4.470 -0.001 0.000 0.224 291 S C 2.239 176.954 174.600 0.193 0.000 1.029 291 S CA 1.726 59.776 58.200 -0.250 0.000 0.978 291 S CB -0.298 62.572 63.200 -0.549 0.000 0.833 291 S HN 0.793 nan 8.310 nan 0.000 0.466 292 V N 2.778 122.779 119.914 0.145 0.000 2.392 292 V HA -0.129 3.991 4.120 -0.001 0.000 0.249 292 V C 3.111 179.454 176.094 0.416 0.000 1.059 292 V CA 1.691 64.161 62.300 0.284 0.000 1.051 292 V CB -1.514 30.308 31.823 -0.002 0.000 0.658 292 V HN 0.675 nan 8.190 nan 0.000 0.455 293 A N -0.390 122.597 122.820 0.279 0.000 2.067 293 A HA -0.181 4.139 4.320 -0.001 0.000 0.219 293 A C 2.242 180.068 177.584 0.403 0.000 1.158 293 A CA 1.643 53.859 52.037 0.297 0.000 0.661 293 A CB -0.300 18.812 19.000 0.186 0.000 0.801 293 A HN 0.602 nan 8.150 nan 0.000 0.452 294 K N -1.677 118.951 120.400 0.381 0.000 2.323 294 K HA 0.090 4.410 4.320 -0.001 0.000 0.197 294 K C 1.227 178.085 176.600 0.429 0.000 1.043 294 K CA 0.732 57.229 56.287 0.349 0.000 0.997 294 K CB 0.036 32.606 32.500 0.116 0.000 0.807 294 K HN 0.580 nan 8.250 nan 0.000 0.497 295 H N -1.271 118.089 119.070 0.483 0.000 2.740 295 H HA 0.181 4.736 4.556 -0.001 0.000 0.265 295 H C -0.430 175.016 175.328 0.198 0.000 0.978 295 H CA 0.226 56.493 56.048 0.365 0.000 1.198 295 H CB 0.611 30.587 29.762 0.357 0.000 1.467 295 H HN -0.039 nan 8.280 nan 0.000 0.511 296 F N 1.518 121.742 119.950 0.456 0.000 2.529 296 F HA 0.355 4.881 4.527 -0.001 0.000 0.320 296 F C 0.138 176.089 175.800 0.252 0.000 1.118 296 F CA -1.119 57.105 58.000 0.373 0.000 0.915 296 F CB 1.913 41.158 39.000 0.409 0.000 1.161 296 F HN -0.264 nan 8.300 nan 0.000 0.445 297 V N 0.065 120.160 119.914 0.301 0.000 3.040 297 V HA 1.023 5.143 4.120 -0.001 0.000 0.312 297 V C -0.974 175.233 176.094 0.187 0.000 1.115 297 V CA -1.203 61.190 62.300 0.155 0.000 0.998 297 V CB 1.475 33.250 31.823 -0.081 0.000 1.042 297 V HN 0.971 nan 8.190 nan 0.000 0.433 298 A N 2.984 125.907 122.820 0.170 0.000 2.414 298 A HA 0.910 5.229 4.320 -0.001 0.000 0.306 298 A C -0.988 176.710 177.584 0.190 0.000 1.054 298 A CA -0.750 51.392 52.037 0.174 0.000 0.724 298 A CB 1.564 20.575 19.000 0.020 0.000 1.267 298 A HN 1.072 nan 8.150 nan 0.000 0.418 299 L N 2.005 123.353 121.223 0.209 0.000 2.324 299 L HA 0.701 5.040 4.340 -0.001 0.000 0.274 299 L C 0.109 177.190 176.870 0.352 0.000 1.012 299 L CA -0.198 54.782 54.840 0.234 0.000 0.859 299 L CB 1.100 43.227 42.059 0.114 0.000 1.224 299 L HN 0.669 nan 8.230 nan 0.000 0.429 300 S N 0.009 115.830 115.700 0.202 0.000 2.672 300 S HA 0.521 4.990 4.470 -0.001 0.000 0.271 300 S C 0.479 174.766 174.600 -0.521 0.000 1.171 300 S CA 0.290 58.461 58.200 -0.050 0.000 0.817 300 S CB 1.886 65.026 63.200 -0.099 0.000 1.150 300 S HN 0.692 nan 8.310 nan 0.000 0.478 301 T N -0.992 113.181 114.554 -0.636 0.000 2.969 301 T HA 0.311 4.660 4.350 -0.001 0.000 0.250 301 T C 0.279 174.758 174.700 -0.368 0.000 1.021 301 T CA -0.013 61.698 62.100 -0.649 0.000 1.003 301 T CB -0.273 68.182 68.868 -0.688 0.000 1.040 301 T HN 0.339 nan 8.240 nan 0.000 0.492 302 N N 2.122 120.654 118.700 -0.281 0.000 2.521 302 N HA 0.267 5.007 4.740 -0.001 0.000 0.236 302 N C -0.058 175.303 175.510 -0.248 0.000 1.067 302 N CA -0.051 52.881 53.050 -0.197 0.000 0.939 302 N CB 0.643 39.073 38.487 -0.095 0.000 1.201 302 N HN 0.289 nan 8.380 nan 0.000 0.511 303 N N 1.783 120.357 118.700 -0.209 0.000 2.244 303 N HA -0.170 4.570 4.740 -0.001 0.000 0.183 303 N C 1.393 176.804 175.510 -0.166 0.000 1.016 303 N CA 1.009 53.940 53.050 -0.198 0.000 0.866 303 N CB 0.126 38.525 38.487 -0.147 0.000 0.980 303 N HN 0.510 nan 8.380 nan 0.000 0.430 304 Q N 0.908 120.636 119.800 -0.119 0.000 2.046 304 Q HA 0.043 4.383 4.340 -0.001 0.000 0.200 304 Q C 1.327 177.289 176.000 -0.063 0.000 0.975 304 Q CA 1.331 57.090 55.803 -0.074 0.000 0.836 304 Q CB 0.157 28.870 28.738 -0.042 0.000 0.896 304 Q HN 0.082 nan 8.270 nan 0.000 0.428 305 K N -0.534 119.826 120.400 -0.066 0.000 2.288 305 K HA -0.014 4.305 4.320 -0.001 0.000 0.201 305 K C 1.915 178.471 176.600 -0.073 0.000 1.048 305 K CA 0.785 57.086 56.287 0.023 0.000 0.956 305 K CB -0.081 32.516 32.500 0.161 0.000 0.746 305 K HN 0.151 nan 8.250 nan 0.000 0.461 306 V N 1.587 121.248 119.914 -0.420 0.000 2.453 306 V HA -0.152 3.968 4.120 -0.001 0.000 0.247 306 V C 2.217 178.229 176.094 -0.137 0.000 1.048 306 V CA 1.363 63.313 62.300 -0.583 0.000 1.049 306 V CB -0.256 31.158 31.823 -0.683 0.000 0.672 306 V HN 0.167 nan 8.190 nan 0.000 0.457 307 K N 0.307 120.649 120.400 -0.096 0.000 2.155 307 K HA -0.094 4.226 4.320 -0.001 0.000 0.203 307 K C 2.000 178.613 176.600 0.021 0.000 1.052 307 K CA 1.056 57.326 56.287 -0.029 0.000 0.948 307 K CB -0.220 32.254 32.500 -0.043 0.000 0.728 307 K HN 0.596 nan 8.250 nan 0.000 0.448 308 E N -0.408 119.820 120.200 0.047 0.000 2.204 308 E HA -0.145 4.204 4.350 -0.001 0.000 0.194 308 E C 1.746 178.408 176.600 0.103 0.000 0.989 308 E CA 0.576 57.016 56.400 0.066 0.000 0.824 308 E CB -0.175 29.574 29.700 0.081 0.000 0.756 308 E HN 0.182 nan 8.360 nan 0.000 0.477 309 F N 0.565 120.529 119.950 0.023 0.000 2.234 309 F HA 0.058 4.585 4.527 -0.001 0.000 0.296 309 F C 1.476 177.251 175.800 -0.042 0.000 1.089 309 F CA 1.646 59.661 58.000 0.025 0.000 1.343 309 F CB 0.467 39.560 39.000 0.155 0.000 1.040 309 F HN 0.079 nan 8.300 nan 0.000 0.498 310 G N 0.835 109.665 108.800 0.050 0.000 2.151 310 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.140 310 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.140 310 G C -0.025 174.917 174.900 0.069 0.000 1.020 310 G CA -0.093 44.984 45.100 -0.039 0.000 0.688 310 G HN 0.279 nan 8.290 nan 0.000 0.500 311 I N 1.346 122.020 120.570 0.174 0.000 2.385 311 I HA 0.299 4.468 4.170 -0.001 0.000 0.294 311 I C -0.110 176.056 176.117 0.081 0.000 0.988 311 I CA -0.860 60.549 61.300 0.182 0.000 1.265 311 I CB 0.978 39.115 38.000 0.229 0.000 1.388 311 I HN -0.078 nan 8.210 nan 0.000 0.480 312 D N 4.175 124.626 120.400 0.086 0.000 2.414 312 D HA -0.037 4.602 4.640 -0.001 0.000 0.242 312 D C 0.980 177.267 176.300 -0.021 0.000 1.129 312 D CA 0.154 54.177 54.000 0.039 0.000 0.885 312 D CB 0.924 41.767 40.800 0.072 0.000 1.198 312 D HN 0.467 nan 8.370 nan 0.000 0.437 313 E N 1.577 121.748 120.200 -0.047 0.000 2.268 313 E HA -0.186 4.163 4.350 -0.001 0.000 0.195 313 E C 0.887 177.406 176.600 -0.135 0.000 0.995 313 E CA 1.314 57.657 56.400 -0.094 0.000 0.836 313 E CB 0.127 29.781 29.700 -0.076 0.000 0.763 313 E HN 0.412 nan 8.360 nan 0.000 0.491 314 E N -0.085 120.055 120.200 -0.100 0.000 2.274 314 E HA -0.012 4.338 4.350 -0.001 0.000 0.194 314 E C 0.762 177.216 176.600 -0.244 0.000 0.996 314 E CA 0.817 57.142 56.400 -0.125 0.000 0.840 314 E CB -0.004 29.680 29.700 -0.026 0.000 0.772 314 E HN 0.197 nan 8.360 nan 0.000 0.491 315 N N 0.098 118.674 118.700 -0.207 0.000 2.251 315 N HA 0.110 4.850 4.740 -0.001 0.000 0.217 315 N C -0.408 174.908 175.510 -0.323 0.000 1.124 315 N CA 0.032 52.908 53.050 -0.289 0.000 0.843 315 N CB 0.439 38.903 38.487 -0.038 0.000 1.024 315 N HN 0.227 nan 8.380 nan 0.000 0.501 316 M N 0.701 120.065 119.600 -0.393 0.000 2.180 316 M HA 0.369 4.848 4.480 -0.001 0.000 0.350 316 M C -1.441 174.583 176.300 -0.459 0.000 1.125 316 M CA -0.545 54.589 55.300 -0.277 0.000 1.031 316 M CB 0.607 33.071 32.600 -0.228 0.000 1.623 316 M HN -0.217 nan 8.290 nan 0.000 0.451 317 F N 3.485 123.337 119.950 -0.163 0.000 2.361 317 F HA 0.384 4.911 4.527 -0.001 0.000 0.364 317 F C 0.195 175.920 175.800 -0.126 0.000 1.117 317 F CA -0.574 57.344 58.000 -0.136 0.000 1.071 317 F CB 1.127 40.048 39.000 -0.133 0.000 1.188 317 F HN 0.550 nan 8.300 nan 0.000 0.464 318 Q N 3.841 123.574 119.800 -0.111 0.000 2.293 318 Q HA 0.553 4.893 4.340 -0.001 0.000 0.251 318 Q C -0.974 174.667 176.000 -0.598 0.000 0.930 318 Q CA -0.190 55.405 55.803 -0.347 0.000 0.893 318 Q CB 0.842 29.334 28.738 -0.409 0.000 1.215 318 Q HN 0.524 nan 8.270 nan 0.000 0.425 319 F N 0.354 119.668 119.950 -1.061 0.000 2.692 319 F HA 0.800 5.326 4.527 -0.001 0.000 0.320 319 F C -1.568 173.419 175.800 -1.355 0.000 1.123 319 F CA -1.288 55.894 58.000 -1.363 0.000 0.961 319 F CB 1.026 39.721 39.000 -0.507 0.000 1.383 319 F HN 0.407 nan 8.300 nan 0.000 0.483 320 W N 0.953 121.964 121.300 -0.482 0.000 2.850 320 W HA 0.211 4.870 4.660 -0.001 0.000 0.349 320 W C 0.337 176.485 176.519 -0.619 0.000 1.133 320 W CA -0.163 56.730 57.345 -0.753 0.000 1.117 320 W CB 1.241 29.913 29.460 -1.313 0.000 1.442 320 W HN 0.732 nan 8.180 nan 0.000 0.575 321 D N -0.494 119.759 120.400 -0.246 0.000 2.218 321 D HA -0.211 4.428 4.640 -0.001 0.000 0.204 321 D C 1.520 177.877 176.300 0.096 0.000 0.976 321 D CA 1.341 55.303 54.000 -0.064 0.000 0.853 321 D CB -0.729 40.080 40.800 0.015 0.000 0.939 321 D HN 0.557 nan 8.370 nan 0.000 0.481 322 W N 0.676 122.096 121.300 0.200 0.000 3.180 322 W HA 0.333 4.992 4.660 -0.001 0.000 0.254 322 W C -0.488 176.153 176.519 0.203 0.000 1.318 322 W CA -0.614 56.817 57.345 0.143 0.000 1.608 322 W CB -0.411 29.088 29.460 0.065 0.000 1.124 322 W HN -0.260 nan 8.180 nan 0.000 0.694 323 V N 2.622 122.759 119.914 0.371 0.000 2.318 323 V HA 0.447 4.566 4.120 -0.001 0.000 0.271 323 V C 0.944 177.287 176.094 0.416 0.000 1.030 323 V CA -0.613 61.964 62.300 0.461 0.000 0.844 323 V CB 0.379 32.492 31.823 0.483 0.000 1.015 323 V HN 0.121 nan 8.190 nan 0.000 0.460 324 G N 3.216 112.279 108.800 0.438 0.000 2.483 324 G HA2 0.399 4.358 3.960 -0.001 0.000 0.248 324 G HA3 0.399 4.358 3.960 -0.001 0.000 0.248 324 G C 1.124 176.250 174.900 0.376 0.000 1.248 324 G CA 0.200 45.558 45.100 0.431 0.000 0.838 324 G HN 0.864 nan 8.290 nan 0.000 0.566 325 G N 1.642 110.594 108.800 0.253 0.000 2.476 325 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.218 325 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.218 325 G C 1.638 176.568 174.900 0.049 0.000 1.164 325 G CA 0.878 46.066 45.100 0.146 0.000 0.768 325 G HN 0.777 nan 8.290 nan 0.000 0.560 326 R N -0.916 119.567 120.500 -0.027 0.000 2.328 326 R HA 0.158 4.497 4.340 -0.001 0.000 0.200 326 R C 0.254 176.292 176.300 -0.438 0.000 0.983 326 R CA 0.483 56.405 56.100 -0.296 0.000 1.062 326 R CB -0.261 29.776 30.300 -0.439 0.000 0.956 326 R HN 0.457 nan 8.270 nan 0.000 0.479 327 Y N 0.178 120.513 120.300 0.058 0.000 2.738 327 Y HA 0.176 4.725 4.550 -0.001 0.000 0.249 327 Y C 1.185 177.239 175.900 0.257 0.000 1.153 327 Y CA -0.395 57.778 58.100 0.121 0.000 1.165 327 Y CB 1.198 39.618 38.460 -0.066 0.000 1.235 327 Y HN 0.184 nan 8.280 nan 0.000 0.559 328 S N -0.974 114.849 115.700 0.205 0.000 2.540 328 S HA -0.036 4.433 4.470 -0.001 0.000 0.218 328 S C 1.663 176.212 174.600 -0.085 0.000 0.977 328 S CA 0.017 58.260 58.200 0.071 0.000 0.918 328 S CB -0.499 62.630 63.200 -0.120 0.000 0.806 328 S HN 0.558 nan 8.310 nan 0.000 0.496 329 M N -1.058 118.395 119.600 -0.246 0.000 2.539 329 M HA 0.154 4.633 4.480 -0.001 0.000 0.261 329 M C 1.057 177.172 176.300 -0.308 0.000 1.069 329 M CA 1.031 56.094 55.300 -0.395 0.000 1.081 329 M CB -1.029 31.188 32.600 -0.638 0.000 1.412 329 M HN 0.399 nan 8.290 nan 0.000 0.482 330 W N 1.565 122.939 121.300 0.124 0.000 3.003 330 W HA 0.198 4.858 4.660 -0.001 0.000 0.257 330 W C 1.784 178.480 176.519 0.296 0.000 1.308 330 W CA 0.222 57.669 57.345 0.170 0.000 1.529 330 W CB -0.477 29.062 29.460 0.131 0.000 1.115 330 W HN 0.370 nan 8.180 nan 0.000 0.659 331 S N 0.575 116.481 115.700 0.343 0.000 2.414 331 S HA 0.613 5.083 4.470 -0.001 0.000 0.267 331 S C 1.705 176.347 174.600 0.070 0.000 1.165 331 S CA 0.012 58.348 58.200 0.227 0.000 1.028 331 S CB 0.175 63.405 63.200 0.050 0.000 1.154 331 S HN 0.019 nan 8.310 nan 0.000 0.472 332 A N 0.248 123.041 122.820 -0.046 0.000 2.024 332 A HA 0.015 4.335 4.320 -0.001 0.000 0.220 332 A C 2.098 179.560 177.584 -0.204 0.000 1.164 332 A CA 1.202 53.196 52.037 -0.072 0.000 0.643 332 A CB -1.120 17.920 19.000 0.067 0.000 0.806 332 A HN 0.699 nan 8.150 nan 0.000 0.451 333 I N 0.034 120.402 120.570 -0.337 0.000 2.423 333 I HA -0.193 3.976 4.170 -0.001 0.000 0.254 333 I C 2.333 178.351 176.117 -0.165 0.000 1.151 333 I CA 1.462 62.589 61.300 -0.289 0.000 1.421 333 I CB -1.619 36.142 38.000 -0.397 0.000 1.079 333 I HN 0.379 nan 8.210 nan 0.000 0.431 334 G N 0.282 109.018 108.800 -0.107 0.000 2.956 334 G HA2 -0.072 3.887 3.960 -0.001 0.000 0.207 334 G HA3 -0.072 3.887 3.960 -0.001 0.000 0.207 334 G C 1.601 176.356 174.900 -0.241 0.000 1.162 334 G CA -0.136 44.953 45.100 -0.019 0.000 0.796 334 G HN 0.273 nan 8.290 nan 0.000 0.527 335 L N 1.944 122.983 121.223 -0.306 0.000 2.013 335 L HA -0.017 4.323 4.340 -0.001 0.000 0.212 335 L C 0.245 176.960 176.870 -0.259 0.000 1.073 335 L CA 2.120 56.730 54.840 -0.383 0.000 0.753 335 L CB -0.711 41.029 42.059 -0.532 0.000 0.890 335 L HN 0.084 nan 8.230 nan 0.000 0.432 336 P HA -0.151 nan 4.420 nan 0.000 0.220 336 P C 1.975 179.249 177.300 -0.045 0.000 1.148 336 P CA 1.622 64.662 63.100 -0.099 0.000 0.803 336 P CB -0.040 31.638 31.700 -0.037 0.000 0.782 337 I N -0.910 119.650 120.570 -0.016 0.000 2.233 337 I HA -0.165 4.005 4.170 -0.001 0.000 0.243 337 I C 2.870 179.016 176.117 0.048 0.000 1.093 337 I CA 1.286 62.624 61.300 0.064 0.000 1.380 337 I CB -0.604 37.506 38.000 0.185 0.000 1.067 337 I HN -0.134 nan 8.210 nan 0.000 0.413 338 M N 0.779 120.309 119.600 -0.116 0.000 2.175 338 M HA -0.177 4.302 4.480 -0.001 0.000 0.264 338 M C 2.313 178.558 176.300 -0.092 0.000 1.063 338 M CA 1.873 57.074 55.300 -0.164 0.000 1.119 338 M CB -0.001 32.306 32.600 -0.488 0.000 1.377 338 M HN 0.159 nan 8.290 nan 0.000 0.415 339 I N -0.970 119.522 120.570 -0.129 0.000 2.315 339 I HA -0.269 3.901 4.170 -0.001 0.000 0.248 339 I C 2.582 178.647 176.117 -0.086 0.000 1.117 339 I CA 1.204 62.425 61.300 -0.131 0.000 1.404 339 I CB -0.378 37.517 38.000 -0.174 0.000 1.071 339 I HN 0.350 nan 8.210 nan 0.000 0.419 340 S N 1.190 116.858 115.700 -0.053 0.000 2.345 340 S HA -0.085 4.384 4.470 -0.001 0.000 0.219 340 S C 1.927 176.530 174.600 0.006 0.000 1.031 340 S CA 1.308 59.493 58.200 -0.026 0.000 0.984 340 S CB -0.134 63.065 63.200 -0.000 0.000 0.874 340 S HN 0.523 nan 8.310 nan 0.000 0.451 341 I N -1.860 118.733 120.570 0.039 0.000 3.783 341 I HA 0.475 4.644 4.170 -0.001 0.000 0.310 341 I C 0.864 177.027 176.117 0.077 0.000 1.274 341 I CA 0.278 61.621 61.300 0.072 0.000 1.294 341 I CB -0.360 37.695 38.000 0.090 0.000 1.051 341 I HN 0.404 nan 8.210 nan 0.000 0.435 342 G N 1.118 109.958 108.800 0.066 0.000 2.690 342 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.686 342 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.686 342 G C -0.207 174.782 174.900 0.148 0.000 1.277 342 G CA 0.044 45.197 45.100 0.088 0.000 0.799 342 G HN 0.341 nan 8.290 nan 0.000 0.613 343 Y N 0.764 121.091 120.300 0.046 0.000 2.097 343 Y HA -0.140 4.410 4.550 -0.001 0.000 0.282 343 Y C 2.754 178.730 175.900 0.127 0.000 1.152 343 Y CA 2.856 61.006 58.100 0.084 0.000 1.136 343 Y CB 0.035 38.527 38.460 0.052 0.000 0.975 343 Y HN 0.621 nan 8.280 nan 0.000 0.498 344 E N 0.193 120.400 120.200 0.012 0.000 2.118 344 E HA -0.203 4.147 4.350 -0.001 0.000 0.195 344 E C 1.833 178.375 176.600 -0.096 0.000 0.992 344 E CA 1.236 57.583 56.400 -0.089 0.000 0.804 344 E CB -0.465 29.256 29.700 0.034 0.000 0.741 344 E HN 0.566 nan 8.360 nan 0.000 0.458 345 N N 0.020 118.704 118.700 -0.027 0.000 2.270 345 N HA -0.085 4.655 4.740 -0.001 0.000 0.181 345 N C 1.587 177.064 175.510 -0.056 0.000 1.016 345 N CA 0.348 53.363 53.050 -0.059 0.000 0.870 345 N CB -0.335 38.139 38.487 -0.022 0.000 0.979 345 N HN 0.120 nan 8.380 nan 0.000 0.431 346 F N 1.291 121.157 119.950 -0.141 0.000 2.206 346 F HA -0.048 4.478 4.527 -0.001 0.000 0.298 346 F C 2.070 177.788 175.800 -0.137 0.000 1.090 346 F CA 0.638 58.570 58.000 -0.113 0.000 1.323 346 F CB -0.034 38.925 39.000 -0.068 0.000 1.028 346 F HN -0.236 nan 8.300 nan 0.000 0.492 347 V N 0.133 119.960 119.914 -0.145 0.000 2.515 347 V HA -0.223 3.897 4.120 -0.001 0.000 0.250 347 V C 2.341 178.337 176.094 -0.164 0.000 1.058 347 V CA 1.828 64.003 62.300 -0.208 0.000 1.064 347 V CB -0.514 31.091 31.823 -0.363 0.000 0.675 347 V HN 0.262 nan 8.190 nan 0.000 0.461 348 E N -0.204 119.899 120.200 -0.160 0.000 2.106 348 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 348 E C 2.114 178.629 176.600 -0.142 0.000 0.984 348 E CA 1.043 57.360 56.400 -0.139 0.000 0.806 348 E CB -0.302 29.303 29.700 -0.158 0.000 0.750 348 E HN 0.479 nan 8.360 nan 0.000 0.458 349 L N 0.851 121.955 121.223 -0.199 0.000 2.046 349 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 349 L C 2.244 179.087 176.870 -0.046 0.000 1.077 349 L CA 1.436 56.174 54.840 -0.171 0.000 0.747 349 L CB -0.502 41.347 42.059 -0.350 0.000 0.896 349 L HN 0.061 nan 8.230 nan 0.000 0.432 350 L N -1.253 119.885 121.223 -0.143 0.000 2.093 350 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 350 L C 2.310 179.148 176.870 -0.054 0.000 1.085 350 L CA 1.655 56.455 54.840 -0.067 0.000 0.755 350 L CB -1.070 40.947 42.059 -0.070 0.000 0.904 350 L HN 0.276 nan 8.230 nan 0.000 0.435 351 T N -0.411 114.117 114.554 -0.045 0.000 2.821 351 T HA -0.107 4.243 4.350 -0.001 0.000 0.267 351 T C 1.863 176.585 174.700 0.038 0.000 1.046 351 T CA 1.230 63.336 62.100 0.011 0.000 1.139 351 T CB -0.489 68.374 68.868 -0.010 0.000 0.871 351 T HN 0.553 nan 8.240 nan 0.000 0.454 352 G N 1.099 109.900 108.800 0.001 0.000 2.422 352 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.218 352 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.218 352 G C 1.802 176.705 174.900 0.006 0.000 1.146 352 G CA 0.810 45.916 45.100 0.010 0.000 0.769 352 G HN 0.575 nan 8.290 nan 0.000 0.547 353 A N 0.295 123.081 122.820 -0.057 0.000 1.898 353 A HA -0.043 4.276 4.320 -0.001 0.000 0.216 353 A C 2.096 179.630 177.584 -0.083 0.000 1.181 353 A CA 1.981 53.900 52.037 -0.198 0.000 0.620 353 A CB -0.732 17.848 19.000 -0.701 0.000 0.819 353 A HN 0.488 nan 8.150 nan 0.000 0.442 354 H N -0.224 118.774 119.070 -0.119 0.000 2.353 354 H HA -0.076 4.480 4.556 -0.001 0.000 0.300 354 H C 1.821 177.175 175.328 0.043 0.000 1.090 354 H CA 1.926 57.949 56.048 -0.041 0.000 1.327 354 H CB -0.195 29.541 29.762 -0.044 0.000 1.383 354 H HN 0.130 nan 8.280 nan 0.000 0.508 355 V N 0.529 120.450 119.914 0.012 0.000 2.343 355 V HA -0.222 3.897 4.120 -0.001 0.000 0.247 355 V C 2.316 178.444 176.094 0.056 0.000 1.051 355 V CA 1.537 63.840 62.300 0.005 0.000 1.036 355 V CB -0.400 31.451 31.823 0.046 0.000 0.654 355 V HN 0.458 nan 8.190 nan 0.000 0.451 356 I N -0.005 120.620 120.570 0.091 0.000 2.617 356 I HA -0.107 4.063 4.170 -0.001 0.000 0.256 356 I C 2.166 178.480 176.117 0.328 0.000 1.167 356 I CA 1.189 62.608 61.300 0.199 0.000 1.469 356 I CB -1.178 36.909 38.000 0.144 0.000 1.098 356 I HN 0.336 nan 8.210 nan 0.000 0.436 357 D N 1.000 121.562 120.400 0.270 0.000 2.117 357 D HA -0.157 4.483 4.640 -0.001 0.000 0.198 357 D C 2.064 178.551 176.300 0.313 0.000 0.982 357 D CA 1.027 55.300 54.000 0.455 0.000 0.828 357 D CB -0.001 40.971 40.800 0.287 0.000 0.967 357 D HN 0.280 nan 8.370 nan 0.000 0.464 358 E N 0.027 120.266 120.200 0.065 0.000 2.106 358 E HA -0.167 4.182 4.350 -0.001 0.000 0.192 358 E C 2.019 178.629 176.600 0.017 0.000 0.984 358 E CA 0.723 57.109 56.400 -0.023 0.000 0.806 358 E CB -0.423 29.197 29.700 -0.133 0.000 0.750 358 E HN 0.515 nan 8.360 nan 0.000 0.458 359 H N 0.145 119.230 119.070 0.026 0.000 2.326 359 H HA -0.132 4.423 4.556 -0.001 0.000 0.301 359 H C 1.894 177.258 175.328 0.059 0.000 1.081 359 H CA 1.712 57.786 56.048 0.043 0.000 1.334 359 H CB -0.449 29.363 29.762 0.083 0.000 1.385 359 H HN 0.111 nan 8.280 nan 0.000 0.504 360 F N 1.079 120.932 119.950 -0.160 0.000 2.134 360 F HA -0.086 4.440 4.527 -0.001 0.000 0.299 360 F C 2.438 178.005 175.800 -0.388 0.000 1.097 360 F CA 1.632 59.475 58.000 -0.262 0.000 1.264 360 F CB -0.987 37.935 39.000 -0.130 0.000 1.001 360 F HN 0.294 nan 8.300 nan 0.000 0.479 361 A N -0.261 122.224 122.820 -0.558 0.000 2.067 361 A HA -0.057 4.262 4.320 -0.001 0.000 0.217 361 A C 1.844 179.121 177.584 -0.513 0.000 1.156 361 A CA 1.526 53.090 52.037 -0.789 0.000 0.683 361 A CB -0.469 17.979 19.000 -0.920 0.000 0.808 361 A HN 0.548 nan 8.150 nan 0.000 0.455 362 N N -0.571 117.915 118.700 -0.356 0.000 2.397 362 N HA 0.186 4.926 4.740 -0.001 0.000 0.190 362 N C 0.670 176.043 175.510 -0.229 0.000 1.099 362 N CA 0.657 53.554 53.050 -0.254 0.000 0.876 362 N CB 0.003 38.392 38.487 -0.163 0.000 1.143 362 N HN 0.343 nan 8.380 nan 0.000 0.468 363 A N 2.823 125.473 122.820 -0.284 0.000 2.462 363 A HA 0.359 4.679 4.320 -0.001 0.000 0.243 363 A C -2.196 175.259 177.584 -0.215 0.000 1.076 363 A CA -0.663 51.227 52.037 -0.245 0.000 0.773 363 A CB -0.341 18.413 19.000 -0.410 0.000 1.010 363 A HN -0.043 nan 8.150 nan 0.000 0.493 364 P HA 0.109 nan 4.420 nan 0.000 0.266 364 P C -1.900 175.327 177.300 -0.121 0.000 1.195 364 P CA -0.878 62.152 63.100 -0.117 0.000 0.768 364 P CB 0.171 31.824 31.700 -0.077 0.000 0.838 365 P HA -0.274 nan 4.420 nan 0.000 0.217 365 P C 1.309 178.550 177.300 -0.099 0.000 1.158 365 P CA 1.637 64.669 63.100 -0.114 0.000 0.887 365 P CB -0.221 31.416 31.700 -0.104 0.000 0.792 366 E N -0.933 119.215 120.200 -0.088 0.000 2.418 366 E HA -0.165 4.185 4.350 -0.001 0.000 0.197 366 E C 0.940 177.512 176.600 -0.048 0.000 1.026 366 E CA 1.101 57.451 56.400 -0.083 0.000 0.862 366 E CB -0.521 29.128 29.700 -0.085 0.000 0.799 366 E HN 0.307 nan 8.360 nan 0.000 0.518 367 Q N 0.582 120.365 119.800 -0.029 0.000 2.135 367 Q HA 0.186 4.526 4.340 -0.001 0.000 0.222 367 Q C -0.363 175.686 176.000 0.080 0.000 0.808 367 Q CA -0.148 55.676 55.803 0.035 0.000 1.049 367 Q CB 0.431 29.195 28.738 0.043 0.000 1.168 367 Q HN 0.144 nan 8.270 nan 0.000 0.483 368 N N 1.184 119.884 118.700 -0.000 0.000 2.462 368 N HA 0.091 4.830 4.740 -0.001 0.000 0.242 368 N C 1.080 176.665 175.510 0.125 0.000 1.010 368 N CA 0.078 53.117 53.050 -0.018 0.000 0.939 368 N CB 1.423 39.842 38.487 -0.113 0.000 1.127 368 N HN -0.171 nan 8.380 nan 0.000 0.509 369 V N 6.211 126.357 119.914 0.386 0.000 2.255 369 V HA -0.157 3.963 4.120 -0.001 0.000 0.247 369 V C -0.852 175.296 176.094 0.090 0.000 1.051 369 V CA 1.808 64.226 62.300 0.197 0.000 1.018 369 V CB -1.041 30.880 31.823 0.164 0.000 0.641 369 V HN 0.605 nan 8.190 nan 0.000 0.445 370 P HA -0.088 nan 4.420 nan 0.000 0.219 370 P C 1.827 179.166 177.300 0.065 0.000 1.150 370 P CA 0.903 64.019 63.100 0.027 0.000 0.814 370 P CB 0.003 31.635 31.700 -0.114 0.000 0.787 371 L N -0.967 120.356 121.223 0.166 0.000 2.027 371 L HA -0.104 4.236 4.340 -0.001 0.000 0.206 371 L C 2.130 178.984 176.870 -0.026 0.000 1.074 371 L CA 1.739 56.647 54.840 0.113 0.000 0.745 371 L CB -1.176 40.934 42.059 0.084 0.000 0.898 371 L HN -0.149 nan 8.230 nan 0.000 0.433 372 L N -1.325 119.829 121.223 -0.114 0.000 2.046 372 L HA -0.209 4.130 4.340 -0.001 0.000 0.208 372 L C 2.438 179.165 176.870 -0.240 0.000 1.077 372 L CA 0.883 55.544 54.840 -0.298 0.000 0.747 372 L CB -0.625 41.089 42.059 -0.575 0.000 0.896 372 L HN 0.317 nan 8.230 nan 0.000 0.432 373 L N -0.102 121.038 121.223 -0.137 0.000 2.083 373 L HA -0.137 4.203 4.340 -0.001 0.000 0.209 373 L C 2.585 179.461 176.870 0.010 0.000 1.083 373 L CA 1.922 56.734 54.840 -0.047 0.000 0.752 373 L CB -0.625 41.397 42.059 -0.062 0.000 0.899 373 L HN 0.161 nan 8.230 nan 0.000 0.433 374 A N -0.946 121.869 122.820 -0.007 0.000 1.898 374 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 374 A C 2.229 179.827 177.584 0.023 0.000 1.181 374 A CA 1.636 53.673 52.037 0.001 0.000 0.620 374 A CB -0.718 18.275 19.000 -0.011 0.000 0.819 374 A HN 0.450 nan 8.150 nan 0.000 0.442 375 L N -0.560 120.672 121.223 0.014 0.000 2.093 375 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 375 L C 2.450 179.400 176.870 0.133 0.000 1.085 375 L CA 0.734 55.601 54.840 0.046 0.000 0.755 375 L CB -0.410 41.634 42.059 -0.025 0.000 0.904 375 L HN 0.230 nan 8.230 nan 0.000 0.435 376 V N 0.106 120.098 119.914 0.130 0.000 2.407 376 V HA -0.190 3.929 4.120 -0.001 0.000 0.248 376 V C 2.577 178.932 176.094 0.435 0.000 1.055 376 V CA 1.940 64.410 62.300 0.283 0.000 1.049 376 V CB -1.100 30.894 31.823 0.286 0.000 0.662 376 V HN 0.564 nan 8.190 nan 0.000 0.455 377 G N -0.419 108.574 108.800 0.323 0.000 2.402 377 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.216 377 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.216 377 G C 1.678 176.814 174.900 0.394 0.000 1.162 377 G CA 1.099 46.402 45.100 0.338 0.000 0.777 377 G HN 0.368 nan 8.290 nan 0.000 0.539 378 V N 0.115 120.234 119.914 0.342 0.000 2.407 378 V HA -0.145 3.974 4.120 -0.001 0.000 0.248 378 V C 2.244 178.666 176.094 0.547 0.000 1.055 378 V CA 1.636 64.201 62.300 0.441 0.000 1.049 378 V CB -0.515 31.502 31.823 0.323 0.000 0.662 378 V HN 0.656 nan 8.190 nan 0.000 0.455 379 W N -0.251 121.198 121.300 0.247 0.000 2.355 379 W HA -0.253 4.409 4.660 0.003 0.000 0.309 379 W C 2.359 178.999 176.519 0.201 0.000 1.206 379 W CA 1.731 59.177 57.345 0.169 0.000 1.284 379 W CB -0.315 29.100 29.460 -0.075 0.000 1.145 379 W HN 0.318 nan 8.180 nan 0.000 0.502 380 Y N 0.430 120.931 120.300 0.335 0.000 2.263 380 Y HA -0.129 4.420 4.550 -0.001 0.000 0.292 380 Y C 2.476 178.482 175.900 0.176 0.000 1.130 380 Y CA 1.705 59.905 58.100 0.165 0.000 1.179 380 Y CB -0.938 37.604 38.460 0.136 0.000 0.998 380 Y HN -0.145 nan 8.280 nan 0.000 0.532 381 I N -0.084 120.703 120.570 0.362 0.000 2.193 381 I HA -0.296 3.873 4.170 -0.001 0.000 0.240 381 I C 1.366 177.546 176.117 0.104 0.000 1.084 381 I CA 1.813 63.268 61.300 0.257 0.000 1.365 381 I CB -0.384 37.828 38.000 0.353 0.000 1.064 381 I HN 0.176 nan 8.210 nan 0.000 0.410 382 N N -0.497 118.259 118.700 0.093 0.000 2.446 382 N HA 0.024 4.764 4.740 -0.001 0.000 0.179 382 N C 1.209 176.227 175.510 -0.821 0.000 1.054 382 N CA 0.798 53.699 53.050 -0.248 0.000 0.905 382 N CB 0.188 38.618 38.487 -0.094 0.000 0.973 382 N HN 0.203 nan 8.380 nan 0.000 0.448 383 F N -1.649 118.043 119.950 -0.429 0.000 2.557 383 F HA 0.301 4.827 4.527 -0.003 0.000 0.278 383 F C 1.042 176.040 175.800 -1.337 0.000 1.051 383 F CA -0.108 57.295 58.000 -0.995 0.000 1.357 383 F CB 0.002 38.248 39.000 -1.258 0.000 1.104 383 F HN -0.101 nan 8.300 nan 0.000 0.654 384 F N 0.485 120.017 119.950 -0.696 0.000 2.512 384 F HA 0.278 4.808 4.527 0.006 0.000 0.296 384 F C 1.939 177.645 175.800 -0.157 0.000 1.110 384 F CA 0.959 58.745 58.000 -0.357 0.000 1.446 384 F CB -0.424 38.534 39.000 -0.068 0.000 1.092 384 F HN 0.089 nan 8.300 nan 0.000 0.554 385 G N 0.595 109.395 108.800 -0.001 0.000 2.160 385 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.244 385 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.244 385 G C 0.206 175.159 174.900 0.088 0.000 1.022 385 G CA -0.032 45.072 45.100 0.007 0.000 0.741 385 G HN 0.632 nan 8.290 nan 0.000 0.508 386 A N 0.212 123.132 122.820 0.167 0.000 2.376 386 A HA 0.651 4.971 4.320 -0.001 0.000 0.298 386 A C 1.525 179.197 177.584 0.146 0.000 1.271 386 A CA 0.456 52.595 52.037 0.170 0.000 0.926 386 A CB 0.518 19.648 19.000 0.217 0.000 1.141 386 A HN 1.663 nan 8.150 nan 0.000 0.539 387 V N 1.296 121.270 119.914 0.099 0.000 3.649 387 V HA 0.171 4.290 4.120 -0.001 0.000 0.275 387 V C 0.728 176.884 176.094 0.103 0.000 1.281 387 V CA 1.066 63.412 62.300 0.077 0.000 1.143 387 V CB -1.421 30.418 31.823 0.027 0.000 0.892 387 V HN 0.888 nan 8.190 nan 0.000 0.441 388 T N -1.337 113.304 114.554 0.145 0.000 2.924 388 T HA 0.687 5.037 4.350 -0.001 0.000 0.291 388 T C -0.996 173.882 174.700 0.296 0.000 1.045 388 T CA -0.461 61.766 62.100 0.211 0.000 1.015 388 T CB 2.347 71.327 68.868 0.186 0.000 1.103 388 T HN 0.556 nan 8.240 nan 0.000 0.496 389 H N 0.136 119.329 119.070 0.205 0.000 2.966 389 H HA 0.631 5.186 4.556 -0.001 0.000 0.347 389 H C -0.997 174.295 175.328 -0.060 0.000 1.048 389 H CA -0.242 55.864 56.048 0.097 0.000 1.295 389 H CB 1.366 31.193 29.762 0.108 0.000 1.744 389 H HN 1.101 nan 8.280 nan 0.000 0.513 390 A N 5.721 128.198 122.820 -0.573 0.000 2.290 390 A HA 0.519 4.839 4.320 -0.001 0.000 0.310 390 A C -0.770 176.471 177.584 -0.571 0.000 1.202 390 A CA -0.677 50.862 52.037 -0.830 0.000 0.837 390 A CB 0.368 18.815 19.000 -0.922 0.000 1.139 390 A HN 0.597 nan 8.150 nan 0.000 0.509 391 I N 3.852 124.180 120.570 -0.404 0.000 2.328 391 I HA 0.237 4.406 4.170 -0.001 0.000 0.287 391 I C -0.605 175.407 176.117 -0.176 0.000 1.012 391 I CA -0.087 61.093 61.300 -0.199 0.000 1.195 391 I CB 0.719 38.636 38.000 -0.139 0.000 1.350 391 I HN 0.515 nan 8.210 nan 0.000 0.464 392 L N 8.820 129.942 121.223 -0.167 0.000 2.435 392 L HA 0.350 4.690 4.340 -0.001 0.000 0.253 392 L C -2.321 174.611 176.870 0.104 0.000 1.087 392 L CA -1.493 53.277 54.840 -0.118 0.000 0.950 392 L CB 1.213 43.014 42.059 -0.429 0.000 1.304 392 L HN 0.295 nan 8.230 nan 0.000 0.453 393 P HA 0.066 nan 4.420 nan 0.000 0.287 393 P C -0.971 176.485 177.300 0.260 0.000 1.307 393 P CA -0.235 63.008 63.100 0.240 0.000 0.777 393 P CB 0.631 32.431 31.700 0.168 0.000 0.883 394 Y N 2.806 123.209 120.300 0.172 0.000 2.667 394 Y HA 0.298 4.848 4.550 -0.001 0.000 0.340 394 Y C 0.623 176.709 175.900 0.311 0.000 1.303 394 Y CA 0.386 58.570 58.100 0.140 0.000 1.769 394 Y CB -0.132 38.185 38.460 -0.238 0.000 1.804 394 Y HN 0.338 nan 8.280 nan 0.000 0.451 395 D N 0.963 121.629 120.400 0.444 0.000 2.614 395 D HA -0.002 4.638 4.640 -0.001 0.000 0.203 395 D C 0.429 176.849 176.300 0.201 0.000 1.312 395 D CA -0.184 54.027 54.000 0.352 0.000 0.889 395 D CB 1.365 42.341 40.800 0.293 0.000 1.615 395 D HN 0.268 nan 8.370 nan 0.000 0.567 396 Q N 2.534 122.345 119.800 0.018 0.000 2.181 396 Q HA -0.147 4.193 4.340 -0.001 0.000 0.205 396 Q C 0.905 176.955 176.000 0.083 0.000 0.980 396 Q CA 1.796 57.557 55.803 -0.070 0.000 0.862 396 Q CB -0.154 28.393 28.738 -0.318 0.000 0.905 396 Q HN 0.594 nan 8.270 nan 0.000 0.429 397 Y N -0.455 119.942 120.300 0.161 0.000 2.352 397 Y HA -0.033 4.517 4.550 -0.001 0.000 0.292 397 Y C 1.220 177.242 175.900 0.203 0.000 1.136 397 Y CA 0.678 58.898 58.100 0.200 0.000 1.227 397 Y CB 0.017 38.550 38.460 0.121 0.000 0.991 397 Y HN 0.083 nan 8.280 nan 0.000 0.545 398 L N 0.787 122.194 121.223 0.307 0.000 2.688 398 L HA -0.030 4.309 4.340 -0.001 0.000 0.234 398 L C 1.630 178.582 176.870 0.136 0.000 1.192 398 L CA -0.291 54.647 54.840 0.163 0.000 0.984 398 L CB -0.574 41.575 42.059 0.150 0.000 1.232 398 L HN 0.516 nan 8.230 nan 0.000 0.465 399 W N 0.140 121.458 121.300 0.030 0.000 2.421 399 W HA -0.105 4.555 4.660 -0.001 0.000 0.270 399 W C 1.108 177.627 176.519 0.001 0.000 1.233 399 W CA 0.190 57.539 57.345 0.007 0.000 1.226 399 W CB -0.591 28.864 29.460 -0.009 0.000 1.121 399 W HN 0.116 nan 8.180 nan 0.000 0.579 400 R N 0.864 120.975 120.500 -0.648 0.000 2.393 400 R HA 0.089 4.428 4.340 -0.001 0.000 0.244 400 R C 1.850 177.969 176.300 -0.302 0.000 0.920 400 R CA -0.082 55.627 56.100 -0.653 0.000 1.076 400 R CB -0.836 28.916 30.300 -0.914 0.000 1.119 400 R HN 0.248 nan 8.270 nan 0.000 0.524 401 L N 1.819 122.936 121.223 -0.177 0.000 2.056 401 L HA 0.035 4.375 4.340 -0.001 0.000 0.207 401 L C -1.009 175.824 176.870 -0.063 0.000 1.078 401 L CA 1.865 56.650 54.840 -0.091 0.000 0.749 401 L CB -0.859 41.171 42.059 -0.048 0.000 0.901 401 L HN 0.004 nan 8.230 nan 0.000 0.433 402 P HA -0.137 nan 4.420 nan 0.000 0.215 402 P C 1.529 178.783 177.300 -0.076 0.000 1.153 402 P CA 1.933 64.988 63.100 -0.075 0.000 0.853 402 P CB -0.147 31.526 31.700 -0.046 0.000 0.788 403 A N -1.623 121.147 122.820 -0.084 0.000 1.933 403 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 403 A C 2.250 179.776 177.584 -0.096 0.000 1.175 403 A CA 1.365 53.346 52.037 -0.093 0.000 0.628 403 A CB -1.836 17.089 19.000 -0.126 0.000 0.814 403 A HN 0.164 nan 8.150 nan 0.000 0.444 404 Y N 0.480 120.658 120.300 -0.204 0.000 2.163 404 Y HA -0.085 4.465 4.550 -0.000 0.000 0.288 404 Y C 1.885 177.667 175.900 -0.197 0.000 1.136 404 Y CA 1.756 59.730 58.100 -0.210 0.000 1.147 404 Y CB -0.231 38.092 38.460 -0.228 0.000 0.987 404 Y HN 0.195 nan 8.280 nan 0.000 0.509 405 L N 0.044 121.177 121.223 -0.149 0.000 2.275 405 L HA -0.206 4.133 4.340 -0.001 0.000 0.215 405 L C 2.350 179.089 176.870 -0.218 0.000 1.119 405 L CA 1.023 55.718 54.840 -0.242 0.000 0.790 405 L CB -0.537 41.352 42.059 -0.282 0.000 0.919 405 L HN 0.364 nan 8.230 nan 0.000 0.443 406 Q N -0.283 119.413 119.800 -0.174 0.000 2.046 406 Q HA -0.273 4.066 4.340 -0.001 0.000 0.200 406 Q C 2.214 178.114 176.000 -0.166 0.000 0.975 406 Q CA 1.681 57.409 55.803 -0.125 0.000 0.836 406 Q CB -0.060 28.625 28.738 -0.089 0.000 0.896 406 Q HN 0.522 nan 8.270 nan 0.000 0.428 407 Q N 0.401 120.053 119.800 -0.247 0.000 2.046 407 Q HA -0.186 4.153 4.340 -0.001 0.000 0.200 407 Q C 2.161 177.968 176.000 -0.322 0.000 0.975 407 Q CA 0.958 56.597 55.803 -0.273 0.000 0.836 407 Q CB -0.066 28.477 28.738 -0.324 0.000 0.896 407 Q HN 0.279 nan 8.270 nan 0.000 0.428 408 L N 1.391 122.334 121.223 -0.467 0.000 2.013 408 L HA -0.219 4.120 4.340 -0.001 0.000 0.212 408 L C 1.982 178.713 176.870 -0.231 0.000 1.073 408 L CA 2.366 56.929 54.840 -0.461 0.000 0.753 408 L CB -0.719 41.033 42.059 -0.511 0.000 0.890 408 L HN 0.335 nan 8.230 nan 0.000 0.432 409 D N -1.154 119.156 120.400 -0.149 0.000 2.144 409 D HA -0.128 4.512 4.640 -0.001 0.000 0.207 409 D C 2.148 178.437 176.300 -0.019 0.000 0.970 409 D CA 1.499 55.475 54.000 -0.039 0.000 0.853 409 D CB 0.060 40.853 40.800 -0.011 0.000 1.007 409 D HN 0.379 nan 8.370 nan 0.000 0.469 410 M N 0.306 119.879 119.600 -0.046 0.000 2.175 410 M HA -0.082 4.398 4.480 -0.001 0.000 0.264 410 M C 2.179 178.451 176.300 -0.047 0.000 1.063 410 M CA 1.144 56.423 55.300 -0.036 0.000 1.119 410 M CB -0.133 32.441 32.600 -0.042 0.000 1.377 410 M HN -0.005 nan 8.290 nan 0.000 0.415 411 E N -0.276 119.879 120.200 -0.074 0.000 2.216 411 E HA -0.087 4.263 4.350 -0.001 0.000 0.192 411 E C 1.785 178.366 176.600 -0.032 0.000 0.988 411 E CA 0.828 57.190 56.400 -0.063 0.000 0.834 411 E CB 0.302 29.950 29.700 -0.087 0.000 0.772 411 E HN 0.370 nan 8.360 nan 0.000 0.479 412 S N 0.784 116.468 115.700 -0.028 0.000 2.348 412 S HA -0.003 4.466 4.470 -0.001 0.000 0.219 412 S C 1.329 175.944 174.600 0.024 0.000 1.033 412 S CA 0.713 58.914 58.200 0.002 0.000 0.974 412 S CB 0.020 63.231 63.200 0.018 0.000 0.868 412 S HN 0.258 nan 8.310 nan 0.000 0.459 413 N N 0.931 119.668 118.700 0.063 0.000 2.230 413 N HA 0.167 4.906 4.740 -0.001 0.000 0.202 413 N C 0.441 175.985 175.510 0.057 0.000 1.119 413 N CA 0.041 53.173 53.050 0.137 0.000 0.851 413 N CB 0.410 39.090 38.487 0.323 0.000 0.990 413 N HN 0.307 nan 8.380 nan 0.000 0.497 414 G N 1.074 109.872 108.800 -0.003 0.000 3.209 414 G HA2 0.152 4.112 3.960 -0.001 0.000 0.274 414 G HA3 0.152 4.112 3.960 -0.001 0.000 0.274 414 G C 0.100 174.939 174.900 -0.102 0.000 0.850 414 G CA -0.168 44.894 45.100 -0.064 0.000 1.907 414 G HN -0.125 nan 8.290 nan 0.000 0.591 415 K N 0.984 121.336 120.400 -0.080 0.000 2.385 415 K HA 0.316 4.635 4.320 -0.001 0.000 0.248 415 K C -0.571 176.022 176.600 -0.011 0.000 0.955 415 K CA -0.998 55.247 56.287 -0.070 0.000 0.816 415 K CB 2.001 34.525 32.500 0.040 0.000 1.250 415 K HN 0.340 nan 8.250 nan 0.000 0.434 416 Y N -1.757 118.531 120.300 -0.019 0.000 2.588 416 Y HA 0.316 4.866 4.550 -0.001 0.000 0.247 416 Y C 0.083 175.962 175.900 -0.035 0.000 1.157 416 Y CA -1.460 56.612 58.100 -0.047 0.000 1.215 416 Y CB -0.665 37.764 38.460 -0.052 0.000 1.245 416 Y HN 0.106 nan 8.280 nan 0.000 0.534 417 V N -0.967 119.110 119.914 0.272 0.000 2.789 417 V HA 0.829 4.948 4.120 -0.001 0.000 0.311 417 V C 0.247 176.405 176.094 0.106 0.000 1.073 417 V CA -0.421 61.966 62.300 0.145 0.000 0.921 417 V CB 1.298 33.207 31.823 0.144 0.000 1.009 417 V HN 0.338 nan 8.190 nan 0.000 0.426 418 T N 0.875 115.468 114.554 0.066 0.000 2.770 418 T HA 0.396 4.746 4.350 -0.001 0.000 0.281 418 T C 1.050 175.796 174.700 0.077 0.000 0.981 418 T CA -0.146 61.993 62.100 0.065 0.000 0.955 418 T CB 0.801 69.689 68.868 0.033 0.000 1.060 418 T HN 0.736 nan 8.240 nan 0.000 0.531 419 R N 0.321 120.872 120.500 0.086 0.000 2.120 419 R HA -0.062 4.278 4.340 -0.001 0.000 0.234 419 R C 2.718 179.063 176.300 0.076 0.000 1.123 419 R CA 1.537 57.700 56.100 0.105 0.000 0.975 419 R CB -0.509 29.864 30.300 0.122 0.000 0.866 419 R HN 0.842 nan 8.270 nan 0.000 0.446 420 S N -0.822 114.909 115.700 0.052 0.000 2.561 420 S HA 0.082 4.551 4.470 -0.001 0.000 0.225 420 S C 1.380 175.991 174.600 0.018 0.000 0.977 420 S CA 0.448 58.668 58.200 0.033 0.000 0.926 420 S CB 0.534 63.747 63.200 0.022 0.000 0.769 420 S HN 0.518 nan 8.310 nan 0.000 0.533 421 G N 0.149 108.961 108.800 0.020 0.000 2.132 421 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.234 421 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.234 421 G C -0.159 174.735 174.900 -0.008 0.000 0.989 421 G CA 0.039 45.140 45.100 0.002 0.000 0.676 421 G HN 0.536 nan 8.290 nan 0.000 0.522 422 K N 1.323 121.720 120.400 -0.005 0.000 2.110 422 K HA 0.651 4.970 4.320 -0.001 0.000 0.263 422 K C 0.882 177.467 176.600 -0.025 0.000 0.975 422 K CA 0.197 56.471 56.287 -0.022 0.000 0.895 422 K CB 1.085 33.571 32.500 -0.023 0.000 1.060 422 K HN 0.341 nan 8.250 nan 0.000 0.448 423 T N -1.180 113.343 114.554 -0.052 0.000 2.901 423 T HA 0.251 4.600 4.350 -0.001 0.000 0.301 423 T C 0.513 175.178 174.700 -0.059 0.000 1.012 423 T CA -1.021 61.036 62.100 -0.072 0.000 1.135 423 T CB 0.171 68.964 68.868 -0.124 0.000 0.936 423 T HN 0.346 nan 8.240 nan 0.000 0.539 424 V N 1.851 121.739 119.914 -0.044 0.000 2.763 424 V HA 0.292 4.412 4.120 -0.001 0.000 0.306 424 V C 0.744 176.786 176.094 -0.086 0.000 1.059 424 V CA -0.191 62.072 62.300 -0.061 0.000 1.138 424 V CB 0.789 32.573 31.823 -0.065 0.000 0.940 424 V HN 0.981 nan 8.190 nan 0.000 0.489 425 S N 2.017 117.655 115.700 -0.103 0.000 2.554 425 S HA 0.232 4.701 4.470 -0.001 0.000 0.226 425 S C 0.632 175.173 174.600 -0.100 0.000 0.980 425 S CA 0.306 58.448 58.200 -0.097 0.000 0.939 425 S CB -0.188 62.954 63.200 -0.096 0.000 0.832 425 S HN 1.202 nan 8.310 nan 0.000 0.486 426 T N -1.027 113.447 114.554 -0.132 0.000 2.887 426 T HA 0.673 5.023 4.350 -0.001 0.000 0.292 426 T C -0.432 174.131 174.700 -0.229 0.000 1.087 426 T CA -0.906 61.115 62.100 -0.131 0.000 1.009 426 T CB 0.766 69.577 68.868 -0.095 0.000 1.203 426 T HN 0.001 nan 8.240 nan 0.000 0.518 427 L N 2.224 123.300 121.223 -0.245 0.000 2.439 427 L HA 0.427 4.766 4.340 -0.001 0.000 0.269 427 L C 1.535 177.957 176.870 -0.747 0.000 1.179 427 L CA -0.469 54.172 54.840 -0.331 0.000 0.828 427 L CB 1.031 42.963 42.059 -0.211 0.000 1.106 427 L HN 1.127 nan 8.230 nan 0.000 0.467 428 T N -0.957 113.129 114.554 -0.781 0.000 2.624 428 T HA 0.353 4.703 4.350 -0.001 0.000 0.223 428 T C 0.653 174.778 174.700 -0.958 0.000 0.992 428 T CA -0.086 61.190 62.100 -1.374 0.000 1.111 428 T CB -0.102 68.335 68.868 -0.719 0.000 2.611 428 T HN 0.601 nan 8.240 nan 0.000 0.489 429 G N 3.475 112.019 108.800 -0.426 0.000 2.265 429 G HA2 0.445 4.404 3.960 -0.001 0.000 0.240 429 G HA3 0.445 4.404 3.960 -0.001 0.000 0.240 429 G C -2.129 172.759 174.900 -0.020 0.000 1.270 429 G CA -0.625 44.458 45.100 -0.029 0.000 0.901 429 G HN 0.687 nan 8.290 nan 0.000 0.507 430 P HA 0.418 nan 4.420 nan 0.000 0.281 430 P C -0.478 176.871 177.300 0.081 0.000 1.281 430 P CA -0.887 62.264 63.100 0.085 0.000 0.811 430 P CB 1.443 33.239 31.700 0.160 0.000 1.154 431 I N 0.858 121.481 120.570 0.089 0.000 2.416 431 I HA 0.118 4.287 4.170 -0.001 0.000 0.288 431 I C 0.575 176.798 176.117 0.178 0.000 1.051 431 I CA -0.074 61.278 61.300 0.086 0.000 1.375 431 I CB -0.080 37.943 38.000 0.040 0.000 1.407 431 I HN 0.097 nan 8.210 nan 0.000 0.516 432 I N 7.774 128.432 120.570 0.146 0.000 2.392 432 I HA 0.437 4.607 4.170 -0.001 0.000 0.295 432 I C -0.192 176.046 176.117 0.203 0.000 0.985 432 I CA -0.448 60.949 61.300 0.162 0.000 1.221 432 I CB 0.792 38.828 38.000 0.061 0.000 1.366 432 I HN 0.480 nan 8.210 nan 0.000 0.467 433 F N 2.777 122.689 119.950 -0.063 0.000 2.745 433 F HA 0.939 5.465 4.527 -0.001 0.000 0.316 433 F C -0.326 175.401 175.800 -0.122 0.000 1.155 433 F CA -0.939 56.988 58.000 -0.122 0.000 0.937 433 F CB 1.701 40.584 39.000 -0.195 0.000 1.361 433 F HN 0.717 nan 8.300 nan 0.000 0.472 434 G N 0.795 109.442 108.800 -0.254 0.000 2.353 434 G HA2 0.457 4.417 3.960 -0.001 0.000 0.308 434 G HA3 0.457 4.417 3.960 -0.001 0.000 0.308 434 G C -2.358 172.594 174.900 0.088 0.000 1.418 434 G CA -0.920 44.047 45.100 -0.223 0.000 0.966 434 G HN 0.802 nan 8.290 nan 0.000 0.638 435 E N -1.013 119.349 120.200 0.271 0.000 2.433 435 E HA 0.681 5.031 4.350 -0.001 0.000 0.278 435 E C 0.201 176.890 176.600 0.149 0.000 0.976 435 E CA -0.325 56.229 56.400 0.256 0.000 0.793 435 E CB 2.167 32.092 29.700 0.375 0.000 1.311 435 E HN 1.268 nan 8.360 nan 0.000 0.460 436 A N 0.793 123.681 122.820 0.114 0.000 2.511 436 A HA 0.489 4.809 4.320 -0.001 0.000 0.242 436 A C 0.651 178.147 177.584 -0.146 0.000 1.069 436 A CA 0.657 52.712 52.037 0.029 0.000 0.763 436 A CB -0.022 19.038 19.000 0.100 0.000 1.001 436 A HN 0.481 nan 8.150 nan 0.000 0.498 437 G N 0.472 109.008 108.800 -0.440 0.000 2.467 437 G HA2 0.396 4.355 3.960 -0.001 0.000 0.257 437 G HA3 0.396 4.355 3.960 -0.001 0.000 0.257 437 G C 0.934 175.635 174.900 -0.331 0.000 1.227 437 G CA 0.405 44.905 45.100 -1.001 0.000 0.835 437 G HN 1.217 nan 8.290 nan 0.000 0.556 438 T N -0.844 113.676 114.554 -0.055 0.000 3.129 438 T HA -0.021 4.328 4.350 -0.001 0.000 0.251 438 T C 1.596 176.205 174.700 -0.150 0.000 1.117 438 T CA 0.267 62.280 62.100 -0.146 0.000 1.034 438 T CB -0.205 68.751 68.868 0.147 0.000 0.968 438 T HN 0.387 nan 8.240 nan 0.000 0.526 439 N N 1.931 120.542 118.700 -0.150 0.000 2.258 439 N HA -0.006 4.734 4.740 -0.001 0.000 0.187 439 N C 2.040 177.418 175.510 -0.221 0.000 1.012 439 N CA 1.392 54.368 53.050 -0.123 0.000 0.870 439 N CB -0.665 37.767 38.487 -0.092 0.000 0.977 439 N HN 0.605 nan 8.380 nan 0.000 0.434 440 G N 0.350 108.890 108.800 -0.433 0.000 2.422 440 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.218 440 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.218 440 G C 1.335 175.488 174.900 -1.246 0.000 1.140 440 G CA 0.318 44.883 45.100 -0.892 0.000 0.775 440 G HN 0.336 nan 8.290 nan 0.000 0.545 441 Q N -0.327 118.745 119.800 -1.214 0.000 2.181 441 Q HA -0.083 4.256 4.340 -0.001 0.000 0.205 441 Q C 1.425 177.080 176.000 -0.574 0.000 0.980 441 Q CA 1.044 56.223 55.803 -1.040 0.000 0.862 441 Q CB -0.096 28.238 28.738 -0.674 0.000 0.905 441 Q HN 0.646 nan 8.270 nan 0.000 0.429 442 H N -1.990 116.894 119.070 -0.310 0.000 2.505 442 H HA 0.398 4.954 4.556 -0.001 0.000 0.289 442 H C 0.673 175.934 175.328 -0.112 0.000 1.052 442 H CA 0.362 56.322 56.048 -0.147 0.000 1.156 442 H CB 0.743 30.439 29.762 -0.111 0.000 1.507 442 H HN 0.234 nan 8.280 nan 0.000 0.548 443 A N 0.724 123.486 122.820 -0.098 0.000 2.018 443 A HA 0.159 4.479 4.320 -0.001 0.000 0.201 443 A C 0.921 178.589 177.584 0.141 0.000 1.892 443 A CA 0.031 52.069 52.037 0.002 0.000 0.962 443 A CB -0.145 18.840 19.000 -0.026 0.000 1.195 443 A HN 0.226 nan 8.150 nan 0.000 0.615 444 F N -3.634 116.457 119.950 0.235 0.000 2.856 444 F HA 0.491 5.017 4.527 -0.001 0.000 0.338 444 F C 0.980 177.017 175.800 0.395 0.000 1.100 444 F CA -0.745 57.424 58.000 0.282 0.000 1.150 444 F CB -0.048 39.126 39.000 0.290 0.000 1.101 444 F HN 0.085 nan 8.300 nan 0.000 0.548 445 Y N 1.754 122.066 120.300 0.019 0.000 2.421 445 Y HA -0.116 4.434 4.550 0.000 0.000 0.292 445 Y C 2.639 178.727 175.900 0.312 0.000 1.136 445 Y CA 1.267 59.477 58.100 0.184 0.000 1.255 445 Y CB -0.774 37.776 38.460 0.150 0.000 0.991 445 Y HN 0.340 nan 8.280 nan 0.000 0.552 446 Q N 0.664 120.692 119.800 0.379 0.000 2.096 446 Q HA -0.206 4.134 4.340 -0.001 0.000 0.204 446 Q C 2.165 178.318 176.000 0.256 0.000 0.982 446 Q CA 1.900 57.873 55.803 0.282 0.000 0.850 446 Q CB -0.744 28.104 28.738 0.184 0.000 0.901 446 Q HN 0.600 nan 8.270 nan 0.000 0.422 447 L N -0.663 120.712 121.223 0.254 0.000 2.109 447 L HA -0.003 4.336 4.340 -0.001 0.000 0.207 447 L C 2.113 179.089 176.870 0.176 0.000 1.086 447 L CA 0.990 55.945 54.840 0.191 0.000 0.760 447 L CB -0.135 42.031 42.059 0.178 0.000 0.910 447 L HN 0.338 nan 8.230 nan 0.000 0.437 448 I N -1.045 119.643 120.570 0.197 0.000 2.315 448 I HA -0.279 3.890 4.170 -0.001 0.000 0.248 448 I C 2.316 178.433 176.117 0.000 0.000 1.117 448 I CA 0.936 62.271 61.300 0.059 0.000 1.404 448 I CB -0.607 37.347 38.000 -0.076 0.000 1.071 448 I HN 0.368 nan 8.210 nan 0.000 0.419 449 H N 0.490 119.657 119.070 0.161 0.000 2.384 449 H HA 0.064 4.619 4.556 -0.001 0.000 0.300 449 H C 1.209 176.611 175.328 0.123 0.000 1.057 449 H CA 1.069 57.243 56.048 0.211 0.000 1.370 449 H CB 0.275 30.263 29.762 0.377 0.000 1.417 449 H HN 0.436 nan 8.280 nan 0.000 0.527 450 Q N 0.331 120.241 119.800 0.182 0.000 2.135 450 Q HA 0.237 4.577 4.340 -0.001 0.000 0.231 450 Q C 0.569 176.593 176.000 0.041 0.000 0.817 450 Q CA -0.401 55.421 55.803 0.031 0.000 1.073 450 Q CB 1.818 30.499 28.738 -0.095 0.000 1.176 450 Q HN 0.200 nan 8.270 nan 0.000 0.478 451 G N 0.159 109.003 108.800 0.073 0.000 2.535 451 G HA2 0.202 4.161 3.960 -0.001 0.000 0.303 451 G HA3 0.202 4.161 3.960 -0.001 0.000 0.303 451 G C 0.697 175.626 174.900 0.048 0.000 1.237 451 G CA -0.234 44.901 45.100 0.059 0.000 0.986 451 G HN 0.170 nan 8.290 nan 0.000 0.494 452 T N -1.806 112.771 114.554 0.040 0.000 3.163 452 T HA 0.229 4.578 4.350 -0.001 0.000 0.252 452 T C 0.342 175.070 174.700 0.046 0.000 1.056 452 T CA -0.420 61.703 62.100 0.039 0.000 0.947 452 T CB -0.382 68.503 68.868 0.027 0.000 1.016 452 T HN 0.300 nan 8.240 nan 0.000 0.554 453 N N 1.352 120.082 118.700 0.050 0.000 2.269 453 N HA 0.445 5.184 4.740 -0.001 0.000 0.304 453 N C -1.662 173.888 175.510 0.067 0.000 1.072 453 N CA -0.762 52.320 53.050 0.054 0.000 0.802 453 N CB 2.425 40.933 38.487 0.036 0.000 1.348 453 N HN 0.096 nan 8.380 nan 0.000 0.484 454 L N 2.561 123.832 121.223 0.080 0.000 2.260 454 L HA 0.495 4.835 4.340 -0.001 0.000 0.289 454 L C -0.823 176.073 176.870 0.043 0.000 1.057 454 L CA -0.099 54.782 54.840 0.069 0.000 0.811 454 L CB -0.042 42.086 42.059 0.115 0.000 1.184 454 L HN 0.455 nan 8.230 nan 0.000 0.429 455 I N 7.530 128.106 120.570 0.011 0.000 2.437 455 I HA 0.346 4.516 4.170 -0.001 0.000 0.279 455 I C -2.181 173.886 176.117 -0.083 0.000 1.028 455 I CA -1.740 59.573 61.300 0.021 0.000 1.142 455 I CB 1.363 39.429 38.000 0.110 0.000 1.266 455 I HN 0.481 nan 8.210 nan 0.000 0.461 456 P HA 0.105 nan 4.420 nan 0.000 0.267 456 P C -0.904 176.234 177.300 -0.271 0.000 1.205 456 P CA -0.084 62.893 63.100 -0.205 0.000 0.765 456 P CB 0.491 32.156 31.700 -0.058 0.000 0.828 457 C N 2.836 122.018 119.300 -0.197 0.000 2.507 457 C HA 0.429 4.889 4.460 -0.001 0.000 0.319 457 C C -0.315 174.654 174.990 -0.035 0.000 1.208 457 C CA -0.305 58.584 59.018 -0.215 0.000 1.619 457 C CB 1.372 29.094 27.740 -0.030 0.000 2.230 457 C HN 0.488 nan 8.230 nan 0.000 0.492 458 D N 1.636 121.978 120.400 -0.097 0.000 2.414 458 D HA 0.436 5.075 4.640 -0.001 0.000 0.232 458 D C -0.879 175.510 176.300 0.149 0.000 1.070 458 D CA -0.023 54.071 54.000 0.158 0.000 0.839 458 D CB 0.628 41.607 40.800 0.298 0.000 1.079 458 D HN 0.275 nan 8.370 nan 0.000 0.521 459 F N 2.419 122.432 119.950 0.105 0.000 2.391 459 F HA 0.415 4.941 4.527 -0.002 0.000 0.359 459 F C 0.569 176.608 175.800 0.398 0.000 1.122 459 F CA -0.589 57.514 58.000 0.171 0.000 1.120 459 F CB 0.718 39.583 39.000 -0.226 0.000 1.142 459 F HN 0.121 nan 8.300 nan 0.000 0.483 460 I N 3.182 124.123 120.570 0.618 0.000 2.378 460 I HA 0.713 4.883 4.170 -0.001 0.000 0.291 460 I C 0.333 176.650 176.117 0.334 0.000 0.992 460 I CA -0.387 61.203 61.300 0.483 0.000 1.154 460 I CB 1.567 39.771 38.000 0.339 0.000 1.315 460 I HN 0.659 nan 8.210 nan 0.000 0.448 461 G N 3.852 112.667 108.800 0.026 0.000 2.690 461 G HA2 0.799 4.759 3.960 -0.001 0.000 0.291 461 G HA3 0.799 4.759 3.960 -0.001 0.000 0.291 461 G C -1.935 172.839 174.900 -0.210 0.000 1.403 461 G CA -0.675 44.132 45.100 -0.487 0.000 0.864 461 G HN 0.734 nan 8.290 nan 0.000 0.480 462 A N -0.067 122.677 122.820 -0.127 0.000 2.342 462 A HA 0.710 5.029 4.320 -0.001 0.000 0.323 462 A C 0.877 178.531 177.584 0.116 0.000 1.125 462 A CA -0.749 51.302 52.037 0.023 0.000 0.785 462 A CB 1.025 20.080 19.000 0.091 0.000 1.221 462 A HN 0.600 nan 8.150 nan 0.000 0.463 463 I N 0.119 120.757 120.570 0.114 0.000 2.315 463 I HA -0.159 4.010 4.170 -0.001 0.000 0.248 463 I C 0.843 177.119 176.117 0.266 0.000 1.117 463 I CA 1.220 62.644 61.300 0.206 0.000 1.404 463 I CB 0.032 38.130 38.000 0.163 0.000 1.071 463 I HN 0.639 nan 8.210 nan 0.000 0.419 464 Q N 0.309 120.170 119.800 0.102 0.000 2.316 464 Q HA 0.366 4.706 4.340 -0.001 0.000 0.264 464 Q C -0.536 175.342 176.000 -0.204 0.000 0.987 464 Q CA -0.335 55.445 55.803 -0.038 0.000 0.852 464 Q CB 2.553 31.287 28.738 -0.007 0.000 1.287 464 Q HN 0.064 nan 8.270 nan 0.000 0.448 465 S N 0.860 116.270 115.700 -0.483 0.000 2.632 465 S HA 0.109 4.578 4.470 -0.001 0.000 0.271 465 S C 0.634 175.149 174.600 -0.143 0.000 1.260 465 S CA -0.349 57.615 58.200 -0.393 0.000 1.010 465 S CB 0.841 63.715 63.200 -0.544 0.000 0.965 465 S HN 0.578 nan 8.310 nan 0.000 0.534 466 Q N 1.795 121.569 119.800 -0.043 0.000 2.398 466 Q HA 0.157 4.496 4.340 -0.001 0.000 0.204 466 Q C -0.448 175.519 176.000 -0.055 0.000 0.932 466 Q CA 0.682 56.459 55.803 -0.043 0.000 0.916 466 Q CB -0.234 28.480 28.738 -0.039 0.000 1.024 466 Q HN 0.622 nan 8.270 nan 0.000 0.504 467 N N 1.102 119.774 118.700 -0.046 0.000 2.569 467 N HA 0.130 4.869 4.740 -0.001 0.000 0.254 467 N C -0.992 174.464 175.510 -0.090 0.000 1.004 467 N CA -0.335 52.673 53.050 -0.070 0.000 0.904 467 N CB 1.007 39.447 38.487 -0.079 0.000 1.165 467 N HN -0.317 nan 8.380 nan 0.000 0.513 468 K N 2.888 123.245 120.400 -0.072 0.000 2.244 468 K HA 0.311 4.630 4.320 -0.001 0.000 0.263 468 K C -0.613 175.962 176.600 -0.041 0.000 1.103 468 K CA -0.342 55.919 56.287 -0.044 0.000 0.966 468 K CB 0.509 32.994 32.500 -0.026 0.000 1.429 468 K HN 0.531 nan 8.250 nan 0.000 0.434 469 I N 1.954 122.489 120.570 -0.059 0.000 2.359 469 I HA 0.211 4.380 4.170 -0.001 0.000 0.284 469 I C 1.359 177.516 176.117 0.066 0.000 1.018 469 I CA -0.316 60.931 61.300 -0.090 0.000 1.173 469 I CB 0.180 37.977 38.000 -0.338 0.000 1.326 469 I HN 0.711 nan 8.210 nan 0.000 0.462 470 G N 7.240 116.090 108.800 0.084 0.000 2.672 470 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.324 470 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.324 470 G C 0.399 175.386 174.900 0.145 0.000 1.286 470 G CA 0.545 45.722 45.100 0.127 0.000 1.004 470 G HN 0.561 nan 8.290 nan 0.000 0.548 471 D N 0.011 120.504 120.400 0.154 0.000 2.424 471 D HA 0.298 4.937 4.640 -0.001 0.000 0.220 471 D C 1.581 177.959 176.300 0.131 0.000 1.150 471 D CA 0.117 54.188 54.000 0.118 0.000 0.831 471 D CB -0.037 40.799 40.800 0.059 0.000 0.981 471 D HN 0.513 nan 8.370 nan 0.000 0.500 472 H N -0.060 119.052 119.070 0.071 0.000 2.319 472 H HA -0.111 4.444 4.556 -0.001 0.000 0.299 472 H C 2.026 177.450 175.328 0.160 0.000 1.092 472 H CA 1.552 57.643 56.048 0.071 0.000 1.302 472 H CB 0.031 29.799 29.762 0.009 0.000 1.373 472 H HN 0.344 nan 8.280 nan 0.000 0.497 473 H N 0.921 120.122 119.070 0.219 0.000 2.357 473 H HA -0.113 4.442 4.556 -0.001 0.000 0.301 473 H C 1.994 177.467 175.328 0.242 0.000 1.082 473 H CA 1.650 57.847 56.048 0.247 0.000 1.342 473 H CB 0.350 30.223 29.762 0.185 0.000 1.389 473 H HN 0.496 nan 8.280 nan 0.000 0.511 474 K N 0.193 120.693 120.400 0.167 0.000 2.097 474 K HA -0.056 4.264 4.320 -0.001 0.000 0.205 474 K C 2.125 178.779 176.600 0.089 0.000 1.050 474 K CA 1.464 57.812 56.287 0.102 0.000 0.938 474 K CB -0.214 32.354 32.500 0.113 0.000 0.718 474 K HN 0.226 nan 8.250 nan 0.000 0.442 475 I N 0.605 121.237 120.570 0.103 0.000 2.252 475 I HA -0.207 3.962 4.170 -0.001 0.000 0.245 475 I C 2.356 178.568 176.117 0.158 0.000 1.102 475 I CA 0.994 62.349 61.300 0.091 0.000 1.385 475 I CB -0.253 37.764 38.000 0.028 0.000 1.064 475 I HN 0.096 nan 8.210 nan 0.000 0.414 476 F N 1.458 121.404 119.950 -0.008 0.000 2.102 476 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 476 F C 2.408 178.203 175.800 -0.009 0.000 1.105 476 F CA 1.646 59.654 58.000 0.014 0.000 1.239 476 F CB -0.254 38.748 39.000 0.004 0.000 0.991 476 F HN -0.057 nan 8.300 nan 0.000 0.474 477 M N 0.289 119.767 119.600 -0.204 0.000 2.476 477 M HA -0.071 4.409 4.480 -0.001 0.000 0.262 477 M C 2.409 178.588 176.300 -0.201 0.000 1.079 477 M CA 1.305 56.358 55.300 -0.412 0.000 1.104 477 M CB -1.758 30.589 32.600 -0.422 0.000 1.409 477 M HN 0.392 nan 8.290 nan 0.000 0.467 478 S N 0.434 116.137 115.700 0.005 0.000 2.402 478 S HA -0.082 4.388 4.470 -0.001 0.000 0.229 478 S C 1.633 176.254 174.600 0.035 0.000 1.021 478 S CA 0.970 59.227 58.200 0.096 0.000 0.974 478 S CB -0.433 62.819 63.200 0.087 0.000 0.800 478 S HN 0.489 nan 8.310 nan 0.000 0.484 479 N N 0.536 119.240 118.700 0.007 0.000 2.216 479 N HA 0.016 4.756 4.740 -0.001 0.000 0.183 479 N C 1.420 176.859 175.510 -0.118 0.000 1.017 479 N CA 1.140 54.213 53.050 0.039 0.000 0.861 479 N CB -0.425 38.183 38.487 0.202 0.000 0.986 479 N HN 0.491 nan 8.380 nan 0.000 0.428 480 F N 1.581 121.182 119.950 -0.582 0.000 2.095 480 F HA -0.169 4.357 4.527 -0.000 0.000 0.298 480 F C 1.760 177.120 175.800 -0.734 0.000 1.104 480 F CA 1.479 58.864 58.000 -1.025 0.000 1.232 480 F CB -0.345 37.918 39.000 -1.229 0.000 0.987 480 F HN -0.140 nan 8.300 nan 0.000 0.475 481 F N 0.276 120.071 119.950 -0.258 0.000 2.234 481 F HA 0.094 4.620 4.527 -0.001 0.000 0.296 481 F C 2.555 178.167 175.800 -0.314 0.000 1.089 481 F CA 0.818 58.634 58.000 -0.306 0.000 1.343 481 F CB -1.663 37.271 39.000 -0.110 0.000 1.040 481 F HN 0.047 nan 8.300 nan 0.000 0.498 482 A N -0.272 122.512 122.820 -0.059 0.000 1.930 482 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 482 A C 2.232 179.733 177.584 -0.138 0.000 1.175 482 A CA 1.232 53.219 52.037 -0.083 0.000 0.627 482 A CB -0.552 18.425 19.000 -0.038 0.000 0.815 482 A HN 0.269 nan 8.150 nan 0.000 0.443 483 Q N -0.254 119.443 119.800 -0.172 0.000 2.084 483 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 483 Q C 2.404 178.198 176.000 -0.343 0.000 0.978 483 Q CA 2.227 57.970 55.803 -0.100 0.000 0.844 483 Q CB -0.968 27.872 28.738 0.170 0.000 0.898 483 Q HN 0.882 nan 8.270 nan 0.000 0.426 484 T N -1.646 112.486 114.554 -0.703 0.000 2.857 484 T HA -0.113 4.237 4.350 -0.001 0.000 0.266 484 T C 1.727 176.207 174.700 -0.366 0.000 1.048 484 T CA 1.267 62.954 62.100 -0.690 0.000 1.139 484 T CB -0.082 68.296 68.868 -0.817 0.000 0.874 484 T HN 0.326 nan 8.240 nan 0.000 0.455 485 E N 1.525 121.549 120.200 -0.294 0.000 2.072 485 E HA -0.076 4.274 4.350 -0.001 0.000 0.191 485 E C 2.482 178.973 176.600 -0.181 0.000 0.985 485 E CA 0.986 57.248 56.400 -0.231 0.000 0.801 485 E CB -0.425 29.161 29.700 -0.189 0.000 0.750 485 E HN 0.623 nan 8.360 nan 0.000 0.452 486 A N 1.171 123.910 122.820 -0.135 0.000 1.902 486 A HA -0.155 4.165 4.320 -0.001 0.000 0.217 486 A C 2.221 179.822 177.584 0.027 0.000 1.181 486 A CA 1.129 53.120 52.037 -0.077 0.000 0.623 486 A CB -0.685 18.289 19.000 -0.043 0.000 0.818 486 A HN 0.314 nan 8.150 nan 0.000 0.443 487 L N -1.301 119.933 121.223 0.019 0.000 2.083 487 L HA -0.184 4.156 4.340 -0.001 0.000 0.209 487 L C 2.871 179.717 176.870 -0.040 0.000 1.083 487 L CA 1.367 56.188 54.840 -0.031 0.000 0.752 487 L CB -0.368 41.591 42.059 -0.167 0.000 0.899 487 L HN 0.474 nan 8.230 nan 0.000 0.433 488 M N 0.397 119.936 119.600 -0.102 0.000 2.115 488 M HA -0.119 4.361 4.480 -0.001 0.000 0.261 488 M C 2.382 178.626 176.300 -0.094 0.000 1.079 488 M CA 1.956 57.185 55.300 -0.117 0.000 1.143 488 M CB -0.249 32.226 32.600 -0.208 0.000 1.332 488 M HN 0.287 nan 8.290 nan 0.000 0.421 489 I N -1.840 118.659 120.570 -0.118 0.000 2.500 489 I HA 0.248 4.418 4.170 -0.001 0.000 0.252 489 I C 1.373 177.471 176.117 -0.032 0.000 1.142 489 I CA 0.740 61.983 61.300 -0.094 0.000 1.451 489 I CB -1.114 36.806 38.000 -0.132 0.000 1.093 489 I HN 0.418 nan 8.210 nan 0.000 0.430 490 G N 1.815 110.608 108.800 -0.012 0.000 2.601 490 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.261 490 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.261 490 G C -0.228 174.681 174.900 0.015 0.000 1.289 490 G CA 0.412 45.550 45.100 0.063 0.000 0.920 490 G HN 0.703 nan 8.290 nan 0.000 0.571 491 K N -0.195 120.280 120.400 0.125 0.000 2.695 491 K HA 0.519 4.838 4.320 -0.001 0.000 0.255 491 K C 0.367 177.047 176.600 0.133 0.000 1.016 491 K CA 0.186 56.533 56.287 0.099 0.000 0.928 491 K CB 0.991 33.552 32.500 0.101 0.000 1.235 491 K HN 1.180 nan 8.250 nan 0.000 0.467 492 S N 2.856 118.601 115.700 0.075 0.000 2.589 492 S HA 0.238 4.707 4.470 -0.001 0.000 0.265 492 S C -1.753 172.880 174.600 0.054 0.000 1.342 492 S CA -0.792 57.444 58.200 0.060 0.000 1.005 492 S CB 0.905 64.127 63.200 0.037 0.000 0.909 492 S HN 0.387 nan 8.310 nan 0.000 0.555 493 P HA -0.047 nan 4.420 nan 0.000 0.216 493 P C 1.454 178.770 177.300 0.027 0.000 1.150 493 P CA 1.297 64.415 63.100 0.030 0.000 0.843 493 P CB -0.073 31.638 31.700 0.018 0.000 0.787 494 S N -0.749 114.965 115.700 0.024 0.000 2.383 494 S HA -0.139 4.330 4.470 -0.001 0.000 0.227 494 S C 1.745 176.356 174.600 0.019 0.000 1.026 494 S CA 1.101 59.312 58.200 0.018 0.000 0.981 494 S CB -0.659 62.549 63.200 0.014 0.000 0.818 494 S HN 0.349 nan 8.310 nan 0.000 0.472 495 E N 0.544 120.757 120.200 0.023 0.000 2.106 495 E HA -0.079 4.271 4.350 -0.001 0.000 0.192 495 E C 2.014 178.630 176.600 0.026 0.000 0.984 495 E CA 0.995 57.407 56.400 0.019 0.000 0.806 495 E CB -0.102 29.608 29.700 0.018 0.000 0.750 495 E HN 0.277 nan 8.360 nan 0.000 0.458 496 V N 1.099 121.037 119.914 0.040 0.000 2.427 496 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 496 V C 2.368 178.483 176.094 0.034 0.000 1.051 496 V CA 1.696 64.025 62.300 0.048 0.000 1.048 496 V CB -0.459 31.403 31.823 0.065 0.000 0.666 496 V HN 0.173 nan 8.190 nan 0.000 0.456 497 R N -0.000 120.517 120.500 0.028 0.000 2.092 497 R HA -0.097 4.242 4.340 -0.001 0.000 0.231 497 R C 2.567 178.877 176.300 0.017 0.000 1.119 497 R CA 1.288 57.401 56.100 0.021 0.000 0.970 497 R CB -0.104 30.207 30.300 0.018 0.000 0.864 497 R HN 0.425 nan 8.270 nan 0.000 0.440 498 R N -0.067 120.442 120.500 0.014 0.000 2.092 498 R HA -0.125 4.214 4.340 -0.001 0.000 0.231 498 R C 2.200 178.505 176.300 0.008 0.000 1.119 498 R CA 1.454 57.559 56.100 0.009 0.000 0.970 498 R CB -0.185 30.119 30.300 0.006 0.000 0.864 498 R HN 0.393 nan 8.270 nan 0.000 0.440 499 E N 0.980 121.187 120.200 0.011 0.000 2.106 499 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 499 E C 1.927 178.534 176.600 0.012 0.000 0.984 499 E CA 0.774 57.179 56.400 0.010 0.000 0.806 499 E CB 0.108 29.815 29.700 0.012 0.000 0.750 499 E HN 0.249 nan 8.360 nan 0.000 0.458 500 L N 0.430 121.663 121.223 0.017 0.000 2.109 500 L HA -0.087 4.252 4.340 -0.001 0.000 0.207 500 L C 2.225 179.102 176.870 0.013 0.000 1.086 500 L CA 1.011 55.862 54.840 0.017 0.000 0.760 500 L CB -0.125 41.947 42.059 0.022 0.000 0.910 500 L HN 0.099 nan 8.230 nan 0.000 0.437 501 E N -0.149 120.058 120.200 0.011 0.000 2.358 501 E HA -0.075 4.274 4.350 -0.001 0.000 0.195 501 E C 2.065 178.669 176.600 0.006 0.000 1.010 501 E CA 0.711 57.117 56.400 0.009 0.000 0.856 501 E CB 0.080 29.785 29.700 0.009 0.000 0.795 501 E HN 0.456 nan 8.360 nan 0.000 0.504 502 A N 0.685 123.508 122.820 0.006 0.000 2.081 502 A HA 0.215 4.535 4.320 -0.001 0.000 0.214 502 A C 2.126 179.712 177.584 0.003 0.000 1.158 502 A CA 0.829 52.868 52.037 0.003 0.000 0.724 502 A CB 0.089 19.090 19.000 0.001 0.000 0.826 502 A HN 0.225 nan 8.150 nan 0.000 0.463 503 A N -1.491 121.331 122.820 0.005 0.000 2.218 503 A HA 0.434 4.753 4.320 -0.001 0.000 0.209 503 A C 1.535 179.122 177.584 0.005 0.000 1.168 503 A CA 1.115 53.154 52.037 0.004 0.000 0.804 503 A CB -0.546 18.458 19.000 0.006 0.000 0.834 503 A HN 1.746 nan 8.150 nan 0.000 0.482 504 G N -0.432 108.371 108.800 0.005 0.000 2.173 504 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.174 504 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.174 504 G C -0.271 174.633 174.900 0.006 0.000 1.025 504 G CA 0.163 45.266 45.100 0.005 0.000 0.706 504 G HN 0.582 nan 8.290 nan 0.000 0.499 505 E N 0.489 120.694 120.200 0.008 0.000 2.046 505 E HA 0.611 4.961 4.350 -0.001 0.000 0.279 505 E C 1.475 178.081 176.600 0.009 0.000 0.989 505 E CA -0.918 55.487 56.400 0.009 0.000 0.798 505 E CB 0.357 30.064 29.700 0.011 0.000 1.086 505 E HN 0.125 nan 8.360 nan 0.000 0.399 506 R N 2.384 122.889 120.500 0.008 0.000 2.317 506 R HA 0.105 4.445 4.340 -0.001 0.000 0.208 506 R C 0.217 176.522 176.300 0.008 0.000 0.914 506 R CA 0.037 56.141 56.100 0.007 0.000 1.060 506 R CB -0.048 30.255 30.300 0.006 0.000 1.015 506 R HN 0.353 nan 8.270 nan 0.000 0.498 507 S N 0.978 116.683 115.700 0.009 0.000 2.400 507 S HA 0.344 4.814 4.470 -0.001 0.000 0.295 507 S C 1.202 175.809 174.600 0.012 0.000 1.113 507 S CA -0.159 58.047 58.200 0.010 0.000 1.064 507 S CB 0.911 64.117 63.200 0.010 0.000 0.990 507 S HN 0.340 nan 8.310 nan 0.000 0.502 508 A N 4.155 126.981 122.820 0.011 0.000 2.015 508 A HA -0.052 4.268 4.320 -0.001 0.000 0.219 508 A C 1.965 179.558 177.584 0.015 0.000 1.163 508 A CA 1.482 53.526 52.037 0.012 0.000 0.646 508 A CB -0.476 18.530 19.000 0.010 0.000 0.806 508 A HN 0.911 nan 8.150 nan 0.000 0.448 509 E N -0.065 120.144 120.200 0.014 0.000 2.047 509 E HA -0.198 4.152 4.350 -0.001 0.000 0.191 509 E C 2.058 178.670 176.600 0.020 0.000 0.987 509 E CA 1.326 57.735 56.400 0.016 0.000 0.799 509 E CB -0.151 29.557 29.700 0.013 0.000 0.752 509 E HN 0.588 nan 8.360 nan 0.000 0.449 510 K N 0.343 120.754 120.400 0.019 0.000 2.097 510 K HA -0.094 4.225 4.320 -0.001 0.000 0.205 510 K C 2.172 178.789 176.600 0.029 0.000 1.050 510 K CA 1.006 57.306 56.287 0.021 0.000 0.938 510 K CB -0.025 32.484 32.500 0.016 0.000 0.718 510 K HN 0.193 nan 8.250 nan 0.000 0.442 511 I N 1.445 122.030 120.570 0.026 0.000 2.163 511 I HA -0.297 3.872 4.170 -0.001 0.000 0.240 511 I C 1.760 177.897 176.117 0.034 0.000 1.081 511 I CA 1.056 62.373 61.300 0.029 0.000 1.353 511 I CB -0.356 37.657 38.000 0.022 0.000 1.054 511 I HN 0.212 nan 8.210 nan 0.000 0.407 512 N N 1.066 119.783 118.700 0.029 0.000 2.244 512 N HA -0.100 4.640 4.740 -0.001 0.000 0.183 512 N C 1.780 177.315 175.510 0.043 0.000 1.016 512 N CA 1.465 54.532 53.050 0.028 0.000 0.866 512 N CB -0.275 38.224 38.487 0.021 0.000 0.980 512 N HN 0.355 nan 8.380 nan 0.000 0.430 513 A N 0.557 123.410 122.820 0.055 0.000 1.898 513 A HA 0.076 4.396 4.320 -0.001 0.000 0.214 513 A C 2.184 179.863 177.584 0.159 0.000 1.183 513 A CA 0.677 52.766 52.037 0.087 0.000 0.622 513 A CB -0.408 18.627 19.000 0.059 0.000 0.824 513 A HN 0.192 nan 8.150 nan 0.000 0.444 514 L N -0.213 121.082 121.223 0.120 0.000 2.446 514 L HA 0.042 4.381 4.340 -0.001 0.000 0.219 514 L C 2.269 179.222 176.870 0.139 0.000 1.116 514 L CA -0.165 54.765 54.840 0.151 0.000 0.844 514 L CB -0.202 41.903 42.059 0.077 0.000 0.970 514 L HN 0.329 nan 8.230 nan 0.000 0.457 515 L N 1.777 123.048 121.223 0.081 0.000 1.971 515 L HA -0.162 4.177 4.340 -0.001 0.000 0.215 515 L C -0.036 176.833 176.870 -0.002 0.000 1.072 515 L CA 2.662 57.525 54.840 0.039 0.000 0.758 515 L CB -1.791 40.281 42.059 0.022 0.000 0.889 515 L HN 0.215 nan 8.230 nan 0.000 0.433 516 P HA -0.141 nan 4.420 nan 0.000 0.221 516 P C 1.022 178.179 177.300 -0.238 0.000 1.150 516 P CA 1.504 64.496 63.100 -0.181 0.000 0.800 516 P CB -0.251 31.288 31.700 -0.269 0.000 0.787 517 H N 0.091 119.134 119.070 -0.046 0.000 2.462 517 H HA 0.084 4.640 4.556 -0.000 0.000 0.292 517 H C 1.737 176.999 175.328 -0.111 0.000 1.049 517 H CA 1.114 57.119 56.048 -0.072 0.000 1.334 517 H CB -0.141 29.598 29.762 -0.039 0.000 1.404 517 H HN 0.149 nan 8.280 nan 0.000 0.544 518 K N 0.245 120.670 120.400 0.041 0.000 2.374 518 K HA 0.104 4.424 4.320 -0.001 0.000 0.196 518 K C -0.056 176.582 176.600 0.065 0.000 1.023 518 K CA 0.090 56.414 56.287 0.062 0.000 1.103 518 K CB 0.860 33.433 32.500 0.121 0.000 0.848 518 K HN 0.070 nan 8.250 nan 0.000 0.528 519 T N 1.094 115.618 114.554 -0.049 0.000 2.832 519 T HA 0.273 4.622 4.350 -0.001 0.000 0.296 519 T C -0.541 174.080 174.700 -0.133 0.000 0.968 519 T CA 0.019 62.125 62.100 0.010 0.000 1.107 519 T CB 0.331 69.191 68.868 -0.013 0.000 0.916 519 T HN -0.102 nan 8.240 nan 0.000 0.517 520 F N 3.143 123.109 119.950 0.026 0.000 2.403 520 F HA 0.354 4.881 4.527 -0.001 0.000 0.355 520 F C 1.485 177.313 175.800 0.047 0.000 1.119 520 F CA -1.409 56.619 58.000 0.048 0.000 1.007 520 F CB 0.621 39.649 39.000 0.047 0.000 1.194 520 F HN 0.546 nan 8.300 nan 0.000 0.443 521 I N 1.086 121.758 120.570 0.170 0.000 2.454 521 I HA 0.164 4.334 4.170 -0.001 0.000 0.254 521 I C 1.335 177.537 176.117 0.142 0.000 1.156 521 I CA 0.944 62.322 61.300 0.129 0.000 1.433 521 I CB -0.926 37.132 38.000 0.097 0.000 1.082 521 I HN 0.690 nan 8.210 nan 0.000 0.432 522 G N 1.052 109.961 108.800 0.181 0.000 2.601 522 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.252 522 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.252 522 G C 0.735 175.703 174.900 0.114 0.000 1.294 522 G CA 0.156 45.336 45.100 0.134 0.000 0.912 522 G HN 1.622 nan 8.290 nan 0.000 0.574 523 G N -1.656 107.186 108.800 0.071 0.000 2.203 523 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.263 523 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.263 523 G C 0.441 175.414 174.900 0.121 0.000 1.012 523 G CA 1.438 46.591 45.100 0.088 0.000 0.749 523 G HN 1.156 nan 8.290 nan 0.000 0.512 524 R N 0.628 121.159 120.500 0.052 0.000 2.221 524 R HA 0.374 4.713 4.340 -0.001 0.000 0.327 524 R C -2.255 174.014 176.300 -0.052 0.000 1.033 524 R CA -1.965 54.146 56.100 0.018 0.000 0.887 524 R CB 1.362 31.647 30.300 -0.024 0.000 1.057 524 R HN 0.276 nan 8.270 nan 0.000 0.455 525 P HA 0.117 nan 4.420 nan 0.000 0.274 525 P C -0.596 176.646 177.300 -0.098 0.000 1.237 525 P CA -0.223 62.806 63.100 -0.117 0.000 0.793 525 P CB 1.169 32.695 31.700 -0.288 0.000 0.977 526 S N 0.495 116.180 115.700 -0.025 0.000 2.552 526 S HA 0.458 4.927 4.470 -0.001 0.000 0.272 526 S C -1.192 173.462 174.600 0.090 0.000 1.150 526 S CA -0.954 57.263 58.200 0.029 0.000 0.849 526 S CB 1.037 64.200 63.200 -0.062 0.000 1.113 526 S HN 0.371 nan 8.310 nan 0.000 0.458 527 N N 0.966 119.762 118.700 0.160 0.000 2.321 527 N HA 0.594 5.334 4.740 -0.001 0.000 0.299 527 N C -1.325 174.293 175.510 0.180 0.000 1.048 527 N CA -0.307 52.856 53.050 0.188 0.000 0.836 527 N CB 2.061 40.691 38.487 0.239 0.000 1.269 527 N HN 0.718 nan 8.380 nan 0.000 0.486 528 T N 1.965 116.600 114.554 0.136 0.000 2.770 528 T HA 0.484 4.834 4.350 -0.001 0.000 0.283 528 T C 0.006 174.858 174.700 0.253 0.000 0.988 528 T CA -0.405 61.797 62.100 0.169 0.000 0.957 528 T CB 0.639 69.551 68.868 0.072 0.000 0.930 528 T HN 0.159 nan 8.240 nan 0.000 0.443 529 L N 4.369 125.811 121.223 0.366 0.000 2.294 529 L HA 0.597 4.936 4.340 -0.001 0.000 0.283 529 L C -0.855 176.279 176.870 0.440 0.000 1.015 529 L CA -0.753 54.290 54.840 0.339 0.000 0.831 529 L CB 1.309 43.538 42.059 0.282 0.000 1.217 529 L HN 0.369 nan 8.230 nan 0.000 0.420 530 L N 5.996 127.513 121.223 0.491 0.000 2.341 530 L HA 0.707 5.047 4.340 -0.001 0.000 0.278 530 L C -0.444 176.638 176.870 0.353 0.000 1.005 530 L CA -0.313 54.808 54.840 0.469 0.000 0.818 530 L CB 1.534 43.986 42.059 0.655 0.000 1.259 530 L HN 0.481 nan 8.230 nan 0.000 0.418 531 I N 0.558 121.181 120.570 0.089 0.000 2.957 531 I HA 0.540 4.710 4.170 -0.001 0.000 0.310 531 I C 0.578 176.454 176.117 -0.402 0.000 1.063 531 I CA -0.923 60.245 61.300 -0.219 0.000 1.033 531 I CB 1.857 39.797 38.000 -0.100 0.000 1.230 531 I HN 0.658 nan 8.210 nan 0.000 0.447 532 K N 1.584 121.537 120.400 -0.745 0.000 2.062 532 K HA 0.014 4.334 4.320 -0.001 0.000 0.205 532 K C 0.338 176.844 176.600 -0.157 0.000 1.051 532 K CA 1.488 57.505 56.287 -0.450 0.000 0.941 532 K CB 0.156 32.389 32.500 -0.447 0.000 0.719 532 K HN 0.902 nan 8.250 nan 0.000 0.440 533 S N -0.786 114.836 115.700 -0.130 0.000 2.552 533 S HA 0.237 4.707 4.470 -0.001 0.000 0.272 533 S C -1.255 173.345 174.600 0.000 0.000 1.150 533 S CA -1.121 57.065 58.200 -0.023 0.000 0.849 533 S CB 1.177 64.385 63.200 0.013 0.000 1.113 533 S HN 0.064 nan 8.310 nan 0.000 0.458 534 L N 3.537 124.800 121.223 0.068 0.000 2.387 534 L HA 0.440 4.780 4.340 -0.001 0.000 0.267 534 L C 0.524 177.441 176.870 0.077 0.000 1.197 534 L CA 0.520 55.405 54.840 0.075 0.000 1.070 534 L CB -0.533 41.605 42.059 0.130 0.000 1.349 534 L HN 0.976 nan 8.230 nan 0.000 0.422 535 T N 0.892 115.405 114.554 -0.069 0.000 2.912 535 T HA 0.483 4.833 4.350 -0.001 0.000 0.280 535 T C -1.818 172.623 174.700 -0.431 0.000 0.989 535 T CA -1.841 60.047 62.100 -0.355 0.000 0.995 535 T CB 1.140 69.865 68.868 -0.238 0.000 1.077 535 T HN 0.167 nan 8.240 nan 0.000 0.531 536 P HA -0.051 nan 4.420 nan 0.000 0.216 536 P C 1.660 178.823 177.300 -0.228 0.000 1.150 536 P CA 0.856 63.713 63.100 -0.406 0.000 0.837 536 P CB 0.074 31.515 31.700 -0.431 0.000 0.786 537 R N -0.297 120.082 120.500 -0.202 0.000 2.092 537 R HA -0.087 4.252 4.340 -0.001 0.000 0.231 537 R C 2.033 178.296 176.300 -0.062 0.000 1.119 537 R CA 1.554 57.591 56.100 -0.106 0.000 0.970 537 R CB -0.712 29.535 30.300 -0.087 0.000 0.864 537 R HN 0.067 nan 8.270 nan 0.000 0.440 538 A N 0.908 123.680 122.820 -0.080 0.000 1.930 538 A HA -0.142 4.177 4.320 -0.001 0.000 0.217 538 A C 1.995 179.578 177.584 -0.002 0.000 1.175 538 A CA 1.022 53.037 52.037 -0.037 0.000 0.627 538 A CB -0.493 18.478 19.000 -0.048 0.000 0.815 538 A HN 0.371 nan 8.150 nan 0.000 0.443 539 L N 0.128 121.333 121.223 -0.030 0.000 2.056 539 L HA 0.003 4.343 4.340 -0.001 0.000 0.207 539 L C 2.387 179.293 176.870 0.060 0.000 1.078 539 L CA 2.233 57.068 54.840 -0.008 0.000 0.749 539 L CB -0.982 41.030 42.059 -0.078 0.000 0.901 539 L HN 0.296 nan 8.230 nan 0.000 0.433 540 G N -1.082 107.766 108.800 0.081 0.000 2.442 540 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.219 540 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.219 540 G C 1.594 176.602 174.900 0.181 0.000 1.141 540 G CA 0.806 46.056 45.100 0.250 0.000 0.763 540 G HN 0.628 nan 8.290 nan 0.000 0.554 541 A N 0.683 123.558 122.820 0.090 0.000 1.898 541 A HA 0.081 4.400 4.320 -0.001 0.000 0.216 541 A C 2.400 180.040 177.584 0.093 0.000 1.181 541 A CA 1.236 53.314 52.037 0.069 0.000 0.620 541 A CB -0.323 18.705 19.000 0.048 0.000 0.819 541 A HN 0.373 nan 8.150 nan 0.000 0.442 542 I N 0.050 120.694 120.570 0.123 0.000 2.202 542 I HA -0.217 3.952 4.170 -0.001 0.000 0.242 542 I C 2.120 178.398 176.117 0.268 0.000 1.091 542 I CA 0.872 62.276 61.300 0.173 0.000 1.368 542 I CB -0.245 37.872 38.000 0.195 0.000 1.058 542 I HN 0.245 nan 8.210 nan 0.000 0.410 543 I N 1.062 121.799 120.570 0.279 0.000 2.252 543 I HA -0.214 3.956 4.170 -0.001 0.000 0.245 543 I C 2.851 179.163 176.117 0.325 0.000 1.102 543 I CA 1.570 63.090 61.300 0.366 0.000 1.385 543 I CB -1.705 36.511 38.000 0.360 0.000 1.064 543 I HN 0.159 nan 8.210 nan 0.000 0.414 544 A N 0.669 123.602 122.820 0.188 0.000 1.933 544 A HA -0.230 4.089 4.320 -0.001 0.000 0.218 544 A C 2.453 179.916 177.584 -0.203 0.000 1.175 544 A CA 1.722 53.695 52.037 -0.106 0.000 0.628 544 A CB -0.625 18.269 19.000 -0.176 0.000 0.814 544 A HN 0.442 nan 8.150 nan 0.000 0.444 545 M N -1.848 117.728 119.600 -0.040 0.000 2.086 545 M HA -0.186 4.293 4.480 -0.001 0.000 0.261 545 M C 1.939 178.161 176.300 -0.131 0.000 1.067 545 M CA 1.914 57.161 55.300 -0.088 0.000 1.116 545 M CB -0.263 32.265 32.600 -0.120 0.000 1.348 545 M HN 0.471 nan 8.290 nan 0.000 0.407 546 Y N 0.914 121.236 120.300 0.038 0.000 2.314 546 Y HA -0.143 4.406 4.550 -0.001 0.000 0.293 546 Y C 2.255 178.185 175.900 0.049 0.000 1.129 546 Y CA 1.629 59.762 58.100 0.055 0.000 1.201 546 Y CB -0.397 38.117 38.460 0.090 0.000 0.999 546 Y HN 0.379 nan 8.280 nan 0.000 0.541 547 E N -1.052 119.255 120.200 0.179 0.000 2.110 547 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 547 E C 1.718 178.445 176.600 0.211 0.000 0.988 547 E CA 1.254 57.786 56.400 0.221 0.000 0.804 547 E CB -0.138 29.673 29.700 0.184 0.000 0.745 547 E HN 0.559 nan 8.360 nan 0.000 0.458 548 H N 0.373 119.440 119.070 -0.005 0.000 2.470 548 H HA 0.020 4.575 4.556 -0.001 0.000 0.289 548 H C 1.901 177.064 175.328 -0.275 0.000 1.033 548 H CA 0.787 56.612 56.048 -0.372 0.000 1.331 548 H CB 0.004 29.103 29.762 -1.105 0.000 1.414 548 H HN 0.074 nan 8.280 nan 0.000 0.545 549 K N 1.057 121.449 120.400 -0.013 0.000 2.057 549 K HA -0.076 4.243 4.320 -0.001 0.000 0.206 549 K C 1.931 178.570 176.600 0.065 0.000 1.050 549 K CA 1.079 57.374 56.287 0.013 0.000 0.935 549 K CB 0.008 32.520 32.500 0.020 0.000 0.715 549 K HN 0.015 nan 8.250 nan 0.000 0.439 550 V N 2.215 122.207 119.914 0.130 0.000 2.407 550 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 550 V C 2.350 178.535 176.094 0.153 0.000 1.055 550 V CA 1.557 63.941 62.300 0.140 0.000 1.049 550 V CB -0.356 31.577 31.823 0.183 0.000 0.662 550 V HN 0.396 nan 8.190 nan 0.000 0.455 551 L N -0.355 121.026 121.223 0.263 0.000 2.017 551 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 551 L C 2.398 179.435 176.870 0.277 0.000 1.073 551 L CA 1.693 56.772 54.840 0.397 0.000 0.745 551 L CB -0.166 42.237 42.059 0.574 0.000 0.894 551 L HN 0.151 nan 8.230 nan 0.000 0.432 552 V N -0.051 119.988 119.914 0.209 0.000 2.295 552 V HA -0.308 3.811 4.120 -0.001 0.000 0.246 552 V C 2.505 178.526 176.094 -0.122 0.000 1.049 552 V CA 2.059 64.424 62.300 0.108 0.000 1.024 552 V CB -0.699 31.210 31.823 0.143 0.000 0.648 552 V HN 0.544 nan 8.190 nan 0.000 0.447 553 Q N 0.039 119.703 119.800 -0.227 0.000 2.084 553 Q HA -0.144 4.195 4.340 -0.001 0.000 0.202 553 Q C 2.395 177.954 176.000 -0.735 0.000 0.978 553 Q CA 1.693 57.094 55.803 -0.671 0.000 0.844 553 Q CB -0.530 27.802 28.738 -0.677 0.000 0.898 553 Q HN 0.729 nan 8.270 nan 0.000 0.426 554 G N 0.540 109.202 108.800 -0.230 0.000 2.408 554 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.217 554 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.217 554 G C 1.458 176.294 174.900 -0.105 0.000 1.150 554 G CA 0.793 45.885 45.100 -0.014 0.000 0.776 554 G HN 0.409 nan 8.290 nan 0.000 0.542 555 A N 0.530 123.205 122.820 -0.242 0.000 1.968 555 A HA 0.170 4.490 4.320 -0.001 0.000 0.217 555 A C 2.354 179.756 177.584 -0.303 0.000 1.169 555 A CA 0.900 52.654 52.037 -0.473 0.000 0.638 555 A CB -0.252 18.340 19.000 -0.681 0.000 0.812 555 A HN 0.366 nan 8.150 nan 0.000 0.446 556 I N -1.710 118.694 120.570 -0.276 0.000 2.252 556 I HA -0.245 3.925 4.170 -0.001 0.000 0.245 556 I C 2.188 178.232 176.117 -0.121 0.000 1.102 556 I CA 0.912 62.082 61.300 -0.216 0.000 1.385 556 I CB -0.284 37.549 38.000 -0.278 0.000 1.064 556 I HN 0.486 nan 8.210 nan 0.000 0.414 557 W N 0.742 122.011 121.300 -0.051 0.000 2.595 557 W HA 0.154 4.814 4.660 -0.000 0.000 0.257 557 W C 1.813 178.271 176.519 -0.101 0.000 1.267 557 W CA 1.117 58.413 57.345 -0.081 0.000 1.300 557 W CB -1.224 28.219 29.460 -0.028 0.000 1.120 557 W HN 0.387 nan 8.180 nan 0.000 0.618 558 G N 1.101 109.941 108.800 0.067 0.000 2.143 558 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.248 558 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.248 558 G C 0.225 175.158 174.900 0.055 0.000 0.991 558 G CA 0.287 45.390 45.100 0.005 0.000 0.689 558 G HN 0.337 nan 8.290 nan 0.000 0.522 559 I N -2.943 117.693 120.570 0.110 0.000 2.934 559 I HA 0.742 4.912 4.170 -0.001 0.000 0.315 559 I C -0.174 176.021 176.117 0.130 0.000 0.997 559 I CA -1.179 60.199 61.300 0.131 0.000 1.184 559 I CB 1.243 39.344 38.000 0.168 0.000 1.400 559 I HN -0.064 nan 8.210 nan 0.000 0.549 560 D N 2.033 122.528 120.400 0.158 0.000 2.428 560 D HA 0.220 4.859 4.640 -0.001 0.000 0.221 560 D C 0.241 176.598 176.300 0.095 0.000 1.123 560 D CA -0.156 53.964 54.000 0.200 0.000 0.869 560 D CB 1.160 42.116 40.800 0.260 0.000 1.032 560 D HN 0.576 nan 8.370 nan 0.000 0.506 561 S N 2.782 118.419 115.700 -0.104 0.000 2.660 561 S HA -0.040 4.429 4.470 -0.001 0.000 0.223 561 S C 0.449 174.706 174.600 -0.570 0.000 0.963 561 S CA 0.099 58.065 58.200 -0.389 0.000 0.932 561 S CB -0.100 62.711 63.200 -0.648 0.000 0.775 561 S HN 0.541 nan 8.310 nan 0.000 0.531 562 Y N 1.041 121.482 120.300 0.235 0.000 2.500 562 Y HA 0.256 4.806 4.550 -0.000 0.000 0.246 562 Y C 0.401 176.395 175.900 0.158 0.000 1.146 562 Y CA -1.390 56.840 58.100 0.217 0.000 1.230 562 Y CB 0.114 38.684 38.460 0.184 0.000 1.214 562 Y HN 0.242 nan 8.280 nan 0.000 0.526 563 D N -0.477 120.043 120.400 0.201 0.000 2.494 563 D HA 0.344 4.984 4.640 -0.001 0.000 0.259 563 D C -0.076 176.209 176.300 -0.024 0.000 1.109 563 D CA -0.842 53.187 54.000 0.048 0.000 1.040 563 D CB 0.796 41.652 40.800 0.093 0.000 1.175 563 D HN 0.002 nan 8.370 nan 0.000 0.584 564 Q N -0.455 119.219 119.800 -0.210 0.000 3.576 564 Q HA 0.127 4.467 4.340 -0.001 0.000 0.249 564 Q C -0.882 175.019 176.000 -0.164 0.000 0.771 564 Q CA -0.563 55.164 55.803 -0.126 0.000 0.897 564 Q CB -1.212 27.475 28.738 -0.086 0.000 1.551 564 Q HN 0.724 nan 8.270 nan 0.000 0.388 565 W N 0.896 122.213 121.300 0.027 0.000 2.595 565 W HA 0.150 4.810 4.660 -0.001 0.000 0.257 565 W C 1.955 178.475 176.519 0.000 0.000 1.267 565 W CA 1.077 58.436 57.345 0.023 0.000 1.300 565 W CB 0.173 29.654 29.460 0.035 0.000 1.120 565 W HN 0.610 nan 8.180 nan 0.000 0.618 566 G N 0.475 109.365 108.800 0.150 0.000 2.559 566 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.216 566 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.216 566 G C 1.327 176.245 174.900 0.030 0.000 1.126 566 G CA 1.239 46.371 45.100 0.054 0.000 0.778 566 G HN 0.305 nan 8.290 nan 0.000 0.543 567 V N -2.977 116.953 119.914 0.026 0.000 3.506 567 V HA 0.221 4.341 4.120 -0.001 0.000 0.263 567 V C 1.876 177.985 176.094 0.025 0.000 1.203 567 V CA 0.947 63.251 62.300 0.007 0.000 1.133 567 V CB 0.073 31.885 31.823 -0.019 0.000 0.802 567 V HN 0.318 nan 8.190 nan 0.000 0.459 568 E N 0.630 120.868 120.200 0.063 0.000 2.077 568 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 568 E C 2.047 178.686 176.600 0.066 0.000 0.989 568 E CA 1.591 58.039 56.400 0.080 0.000 0.800 568 E CB -0.166 29.626 29.700 0.153 0.000 0.746 568 E HN 0.550 nan 8.360 nan 0.000 0.452 569 L N 0.868 122.129 121.223 0.064 0.000 2.046 569 L HA -0.069 4.270 4.340 -0.001 0.000 0.208 569 L C 2.239 179.128 176.870 0.032 0.000 1.077 569 L CA 2.135 57.005 54.840 0.050 0.000 0.747 569 L CB -0.845 41.244 42.059 0.049 0.000 0.896 569 L HN 0.093 nan 8.230 nan 0.000 0.432 570 G N -0.991 107.821 108.800 0.020 0.000 2.422 570 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.218 570 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.218 570 G C 1.655 176.556 174.900 0.002 0.000 1.146 570 G CA 0.743 45.845 45.100 0.004 0.000 0.769 570 G HN 0.407 nan 8.290 nan 0.000 0.547 571 K N -0.013 120.392 120.400 0.009 0.000 2.057 571 K HA 0.035 4.355 4.320 -0.001 0.000 0.206 571 K C 2.554 179.163 176.600 0.015 0.000 1.050 571 K CA 0.891 57.183 56.287 0.008 0.000 0.935 571 K CB -0.285 32.222 32.500 0.011 0.000 0.715 571 K HN 0.209 nan 8.250 nan 0.000 0.439 572 V N 2.068 121.998 119.914 0.027 0.000 2.358 572 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 572 V C 2.212 178.325 176.094 0.031 0.000 1.047 572 V CA 1.519 63.838 62.300 0.032 0.000 1.035 572 V CB -0.366 31.483 31.823 0.042 0.000 0.658 572 V HN 0.262 nan 8.190 nan 0.000 0.452 573 L N -0.105 121.136 121.223 0.030 0.000 2.217 573 L HA -0.070 4.269 4.340 -0.001 0.000 0.211 573 L C 2.610 179.490 176.870 0.016 0.000 1.107 573 L CA 1.181 56.042 54.840 0.036 0.000 0.783 573 L CB -0.668 41.411 42.059 0.032 0.000 0.919 573 L HN 0.358 nan 8.230 nan 0.000 0.442 574 A N 0.015 122.834 122.820 -0.002 0.000 1.929 574 A HA -0.158 4.161 4.320 -0.001 0.000 0.216 574 A C 2.311 179.890 177.584 -0.009 0.000 1.176 574 A CA 1.174 53.198 52.037 -0.021 0.000 0.628 574 A CB -0.213 18.770 19.000 -0.028 0.000 0.816 574 A HN 0.241 nan 8.150 nan 0.000 0.444 575 K N -0.412 119.991 120.400 0.005 0.000 2.209 575 K HA -0.082 4.237 4.320 -0.001 0.000 0.204 575 K C 2.267 178.879 176.600 0.020 0.000 1.048 575 K CA 1.269 57.562 56.287 0.010 0.000 0.940 575 K CB -0.100 32.409 32.500 0.015 0.000 0.729 575 K HN 0.447 nan 8.250 nan 0.000 0.451 576 S N 0.595 116.315 115.700 0.033 0.000 2.414 576 S HA 0.045 4.515 4.470 -0.001 0.000 0.227 576 S C 1.764 176.406 174.600 0.071 0.000 1.022 576 S CA 0.480 58.712 58.200 0.053 0.000 0.958 576 S CB 0.053 63.296 63.200 0.073 0.000 0.797 576 S HN 0.178 nan 8.310 nan 0.000 0.493 577 I N 1.037 121.638 120.570 0.052 0.000 2.584 577 I HA -0.038 4.132 4.170 -0.001 0.000 0.255 577 I C 2.132 178.247 176.117 -0.003 0.000 1.145 577 I CA 0.290 61.605 61.300 0.025 0.000 1.462 577 I CB -0.205 37.756 38.000 -0.065 0.000 1.102 577 I HN 0.300 nan 8.210 nan 0.000 0.433 578 L N 2.977 124.194 121.223 -0.010 0.000 2.013 578 L HA -0.144 4.195 4.340 -0.001 0.000 0.212 578 L C -0.430 176.447 176.870 0.012 0.000 1.073 578 L CA 2.417 57.251 54.840 -0.010 0.000 0.753 578 L CB -1.620 40.435 42.059 -0.007 0.000 0.890 578 L HN 0.137 nan 8.230 nan 0.000 0.432 579 P HA -0.130 nan 4.420 nan 0.000 0.237 579 P C 0.896 178.220 177.300 0.040 0.000 1.178 579 P CA 1.018 64.135 63.100 0.029 0.000 0.766 579 P CB 0.016 31.731 31.700 0.026 0.000 0.876 580 Q N -0.442 119.386 119.800 0.046 0.000 2.392 580 Q HA 0.170 4.510 4.340 -0.001 0.000 0.203 580 Q C 0.775 176.819 176.000 0.072 0.000 0.917 580 Q CA 0.128 55.969 55.803 0.063 0.000 0.939 580 Q CB 0.140 28.930 28.738 0.086 0.000 1.063 580 Q HN 0.346 nan 8.270 nan 0.000 0.516 581 L N 2.363 123.625 121.223 0.065 0.000 2.422 581 L HA 0.310 4.649 4.340 -0.001 0.000 0.256 581 L C -0.328 176.637 176.870 0.159 0.000 1.202 581 L CA 0.057 54.972 54.840 0.126 0.000 1.119 581 L CB -0.095 41.997 42.059 0.055 0.000 1.383 581 L HN -0.033 nan 8.230 nan 0.000 0.411 582 R N 1.923 122.506 120.500 0.139 0.000 2.686 582 R HA 0.446 4.786 4.340 -0.001 0.000 0.283 582 R C -2.671 173.686 176.300 0.096 0.000 0.978 582 R CA -2.055 54.105 56.100 0.100 0.000 0.897 582 R CB 1.835 32.175 30.300 0.066 0.000 1.192 582 R HN 0.027 nan 8.270 nan 0.000 0.457 583 P HA -0.039 nan 4.420 nan 0.000 0.260 583 P C 0.595 177.928 177.300 0.054 0.000 1.185 583 P CA 1.274 64.410 63.100 0.060 0.000 0.763 583 P CB 0.553 32.299 31.700 0.077 0.000 0.776 584 G N 2.832 111.660 108.800 0.047 0.000 2.225 584 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.254 584 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.254 584 G C 0.277 175.205 174.900 0.046 0.000 0.988 584 G CA 0.061 45.185 45.100 0.040 0.000 0.625 584 G HN 0.572 nan 8.290 nan 0.000 0.527 585 M N 1.478 121.113 119.600 0.058 0.000 2.239 585 M HA 0.494 4.973 4.480 -0.001 0.000 0.348 585 M C 0.560 176.898 176.300 0.064 0.000 1.239 585 M CA 0.209 55.545 55.300 0.059 0.000 1.114 585 M CB 0.297 32.937 32.600 0.066 0.000 1.641 585 M HN 0.261 nan 8.290 nan 0.000 0.453 586 R N 3.850 124.382 120.500 0.053 0.000 2.562 586 R HA 0.665 5.004 4.340 -0.001 0.000 0.298 586 R C -1.103 175.231 176.300 0.057 0.000 0.961 586 R CA -0.901 55.231 56.100 0.054 0.000 0.881 586 R CB 1.778 32.102 30.300 0.041 0.000 1.159 586 R HN 0.663 nan 8.270 nan 0.000 0.450 587 V N -0.023 119.934 119.914 0.071 0.000 2.960 587 V HA 0.555 4.674 4.120 -0.001 0.000 0.315 587 V C -0.231 175.907 176.094 0.073 0.000 1.087 587 V CA -0.751 61.598 62.300 0.081 0.000 0.982 587 V CB 2.034 33.946 31.823 0.148 0.000 1.039 587 V HN 1.010 nan 8.190 nan 0.000 0.437 588 N N 0.293 119.020 118.700 0.045 0.000 1.986 588 N HA 0.023 4.763 4.740 -0.001 0.000 0.227 588 N C 0.669 176.172 175.510 -0.013 0.000 1.387 588 N CA 0.311 53.378 53.050 0.028 0.000 0.810 588 N CB -0.557 37.940 38.487 0.016 0.000 1.140 588 N HN 0.726 nan 8.380 nan 0.000 0.504 589 N N -0.022 118.624 118.700 -0.091 0.000 2.463 589 N HA -0.073 4.666 4.740 -0.001 0.000 0.181 589 N C -0.165 175.180 175.510 -0.275 0.000 1.078 589 N CA 0.427 53.351 53.050 -0.210 0.000 0.902 589 N CB -0.217 38.096 38.487 -0.290 0.000 0.970 589 N HN 0.341 nan 8.380 nan 0.000 0.451 590 H N 0.742 119.814 119.070 0.004 0.000 2.760 590 H HA 0.181 4.737 4.556 -0.001 0.000 0.301 590 H C -0.376 174.953 175.328 0.003 0.000 1.498 590 H CA -0.516 55.533 56.048 0.002 0.000 1.525 590 H CB 0.392 30.154 29.762 -0.001 0.000 1.771 590 H HN 0.218 nan 8.280 nan 0.000 0.827 591 D N -0.965 119.530 120.400 0.157 0.000 2.360 591 D HA -0.018 4.622 4.640 -0.001 0.000 0.242 591 D C 1.206 177.548 176.300 0.070 0.000 1.184 591 D CA 0.001 54.049 54.000 0.079 0.000 0.930 591 D CB 0.691 41.524 40.800 0.054 0.000 1.161 591 D HN 0.438 nan 8.370 nan 0.000 0.447 592 S N 0.130 115.857 115.700 0.044 0.000 2.419 592 S HA -0.266 4.204 4.470 -0.001 0.000 0.233 592 S C 1.908 176.525 174.600 0.028 0.000 1.016 592 S CA 1.040 59.261 58.200 0.036 0.000 0.974 592 S CB -0.660 62.555 63.200 0.026 0.000 0.786 592 S HN 0.513 nan 8.310 nan 0.000 0.492 593 S N 1.518 117.230 115.700 0.020 0.000 2.345 593 S HA -0.098 4.371 4.470 -0.001 0.000 0.219 593 S C 1.982 176.578 174.600 -0.006 0.000 1.031 593 S CA 1.763 59.967 58.200 0.007 0.000 0.984 593 S CB -1.243 61.958 63.200 0.001 0.000 0.874 593 S HN 0.681 nan 8.310 nan 0.000 0.451 594 T N 2.759 117.302 114.554 -0.019 0.000 2.788 594 T HA -0.041 4.309 4.350 -0.001 0.000 0.268 594 T C 1.757 176.418 174.700 -0.064 0.000 1.044 594 T CA 1.392 63.441 62.100 -0.084 0.000 1.139 594 T CB -0.556 68.218 68.868 -0.158 0.000 0.867 594 T HN 0.383 nan 8.240 nan 0.000 0.454 595 N N 1.112 119.828 118.700 0.026 0.000 2.084 595 N HA -0.040 4.700 4.740 -0.001 0.000 0.190 595 N C 2.229 177.765 175.510 0.044 0.000 1.030 595 N CA 1.418 54.511 53.050 0.071 0.000 0.849 595 N CB -0.914 37.627 38.487 0.090 0.000 1.012 595 N HN 0.493 nan 8.380 nan 0.000 0.423 596 G N 1.029 109.848 108.800 0.032 0.000 2.422 596 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.218 596 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.218 596 G C 1.715 176.635 174.900 0.033 0.000 1.146 596 G CA 0.354 45.473 45.100 0.031 0.000 0.769 596 G HN 0.219 nan 8.290 nan 0.000 0.547 597 L N -0.098 121.136 121.223 0.018 0.000 2.044 597 L HA 0.065 4.405 4.340 -0.001 0.000 0.205 597 L C 2.832 179.733 176.870 0.050 0.000 1.075 597 L CA 0.641 55.495 54.840 0.023 0.000 0.747 597 L CB -0.293 41.757 42.059 -0.015 0.000 0.903 597 L HN 0.174 nan 8.230 nan 0.000 0.435 598 I N -0.041 120.536 120.570 0.012 0.000 2.226 598 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 598 I C 2.133 178.324 176.117 0.124 0.000 1.100 598 I CA 1.004 62.325 61.300 0.035 0.000 1.374 598 I CB -0.383 37.604 38.000 -0.020 0.000 1.057 598 I HN 0.336 nan 8.210 nan 0.000 0.413 599 N N 0.603 119.358 118.700 0.091 0.000 2.166 599 N HA -0.192 4.548 4.740 -0.001 0.000 0.186 599 N C 1.819 177.384 175.510 0.092 0.000 1.019 599 N CA 1.322 54.425 53.050 0.088 0.000 0.856 599 N CB -0.322 38.203 38.487 0.063 0.000 0.993 599 N HN 0.364 nan 8.380 nan 0.000 0.426 600 M N -0.718 118.939 119.600 0.094 0.000 2.175 600 M HA -0.096 4.384 4.480 -0.001 0.000 0.264 600 M C 1.862 178.223 176.300 0.101 0.000 1.063 600 M CA 1.212 56.559 55.300 0.079 0.000 1.119 600 M CB -0.094 32.547 32.600 0.069 0.000 1.377 600 M HN 0.052 nan 8.290 nan 0.000 0.415 601 F N 1.328 121.281 119.950 0.004 0.000 2.134 601 F HA -0.228 4.298 4.527 -0.001 0.000 0.299 601 F C 1.788 177.597 175.800 0.015 0.000 1.097 601 F CA 1.734 59.738 58.000 0.006 0.000 1.264 601 F CB -0.355 38.645 39.000 0.001 0.000 1.001 601 F HN 0.247 nan 8.300 nan 0.000 0.479 602 N N 0.647 119.464 118.700 0.195 0.000 2.331 602 N HA -0.126 4.613 4.740 -0.001 0.000 0.180 602 N C 1.593 177.107 175.510 0.006 0.000 1.019 602 N CA 1.391 54.505 53.050 0.106 0.000 0.881 602 N CB -0.334 38.242 38.487 0.150 0.000 0.972 602 N HN 0.526 nan 8.380 nan 0.000 0.435 603 E N 0.006 120.206 120.200 0.000 0.000 2.152 603 E HA 0.022 4.372 4.350 -0.001 0.000 0.192 603 E C 1.040 177.603 176.600 -0.062 0.000 0.983 603 E CA 0.674 57.063 56.400 -0.018 0.000 0.818 603 E CB 0.131 29.829 29.700 -0.004 0.000 0.758 603 E HN 0.305 nan 8.360 nan 0.000 0.467 604 L N 0.298 121.454 121.223 -0.111 0.000 2.858 604 L HA 0.122 4.462 4.340 -0.001 0.000 0.251 604 L C 2.026 178.763 176.870 -0.222 0.000 1.149 604 L CA -0.059 54.695 54.840 -0.144 0.000 0.955 604 L CB 0.396 42.388 42.059 -0.112 0.000 1.289 604 L HN 0.055 nan 8.230 nan 0.000 0.542 605 S N -1.302 114.198 115.700 -0.333 0.000 2.399 605 S HA -0.104 4.366 4.470 -0.001 0.000 0.231 605 S C 0.775 175.310 174.600 -0.108 0.000 1.022 605 S CA 0.804 58.761 58.200 -0.405 0.000 0.983 605 S CB -0.150 62.697 63.200 -0.589 0.000 0.803 605 S HN 0.566 nan 8.310 nan 0.000 0.480 606 H N 0.000 118.978 119.070 -0.154 0.000 2.539 606 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 606 H CA 0.000 55.995 56.048 -0.088 0.000 1.023 606 H CB 0.000 29.724 29.762 -0.063 0.000 1.292 606 H HN 0.000 nan 8.280 nan 0.000 0.496