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 1bm0_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.652 174.600 0.087 0.000 1.055 5 S CA 0.000 58.229 58.200 0.048 0.000 1.107 5 S CB 0.000 63.209 63.200 0.016 0.000 0.593 6 E N 3.494 123.752 120.200 0.098 0.000 2.057 6 E HA 0.085 4.434 4.350 -0.003 0.000 0.190 6 E C 1.798 178.495 176.600 0.161 0.000 0.969 6 E CA 1.427 57.907 56.400 0.133 0.000 0.812 6 E CB -0.241 29.504 29.700 0.074 0.000 0.777 6 E HN 0.452 nan 8.360 nan 0.000 0.455 7 V N 0.449 120.457 119.914 0.158 0.000 2.568 7 V HA -0.224 3.894 4.120 -0.003 0.000 0.253 7 V C 1.971 178.199 176.094 0.224 0.000 1.072 7 V CA 2.199 64.658 62.300 0.265 0.000 1.084 7 V CB -0.521 31.509 31.823 0.345 0.000 0.676 7 V HN 0.454 nan 8.190 nan 0.000 0.469 8 A N -1.120 121.763 122.820 0.105 0.000 1.898 8 A HA -0.163 4.155 4.320 -0.003 0.000 0.214 8 A C 2.231 179.896 177.584 0.134 0.000 1.183 8 A CA 1.374 53.440 52.037 0.048 0.000 0.622 8 A CB -0.974 18.010 19.000 -0.028 0.000 0.824 8 A HN 0.804 nan 8.150 nan 0.000 0.444 9 H N -0.299 118.818 119.070 0.078 0.000 2.293 9 H HA -0.118 4.437 4.556 -0.003 0.000 0.300 9 H C 2.107 177.502 175.328 0.112 0.000 1.082 9 H CA 1.613 57.705 56.048 0.074 0.000 1.308 9 H CB -0.055 29.737 29.762 0.050 0.000 1.375 9 H HN 0.207 nan 8.280 nan 0.000 0.495 10 R N 0.225 120.637 120.500 -0.147 0.000 2.091 10 R HA -0.158 4.181 4.340 -0.003 0.000 0.238 10 R C 2.432 178.779 176.300 0.078 0.000 1.136 10 R CA 1.128 57.160 56.100 -0.112 0.000 0.959 10 R CB -1.507 28.849 30.300 0.094 0.000 0.856 10 R HN 0.372 nan 8.270 nan 0.000 0.437 11 F N 1.994 121.974 119.950 0.049 0.000 2.126 11 F HA -0.211 4.314 4.527 -0.003 0.000 0.299 11 F C 2.173 177.909 175.800 -0.108 0.000 1.096 11 F CA 1.651 59.576 58.000 -0.126 0.000 1.255 11 F CB -0.020 38.702 39.000 -0.462 0.000 0.997 11 F HN -0.073 nan 8.300 nan 0.000 0.479 12 K N -0.054 120.413 120.400 0.113 0.000 2.026 12 K HA -0.196 4.123 4.320 -0.003 0.000 0.208 12 K C 1.764 178.327 176.600 -0.061 0.000 1.048 12 K CA 1.793 58.107 56.287 0.044 0.000 0.929 12 K CB -0.363 32.178 32.500 0.068 0.000 0.713 12 K HN 0.195 nan 8.250 nan 0.000 0.439 13 D N 0.544 120.873 120.400 -0.118 0.000 2.144 13 D HA -0.122 4.517 4.640 -0.003 0.000 0.199 13 D C 1.703 177.948 176.300 -0.091 0.000 0.984 13 D CA 1.115 55.044 54.000 -0.119 0.000 0.834 13 D CB 0.076 40.744 40.800 -0.220 0.000 0.955 13 D HN 0.172 nan 8.370 nan 0.000 0.465 14 L N -1.234 119.925 121.223 -0.107 0.000 2.463 14 L HA 0.308 4.647 4.340 -0.003 0.000 0.219 14 L C 0.983 177.767 176.870 -0.144 0.000 1.088 14 L CA 0.175 54.960 54.840 -0.092 0.000 0.849 14 L CB -0.068 41.964 42.059 -0.045 0.000 1.012 14 L HN 0.015 nan 8.230 nan 0.000 0.468 15 G N 1.204 109.839 108.800 -0.275 0.000 2.777 15 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.686 15 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.686 15 G C 0.364 174.968 174.900 -0.492 0.000 1.177 15 G CA 0.088 44.987 45.100 -0.334 0.000 0.775 15 G HN 0.333 nan 8.290 nan 0.000 0.613 16 E N 0.559 120.369 120.200 -0.650 0.000 2.136 16 E HA -0.276 4.072 4.350 -0.003 0.000 0.208 16 E C 1.977 178.495 176.600 -0.137 0.000 1.035 16 E CA 2.337 58.436 56.400 -0.502 0.000 0.838 16 E CB -0.129 29.542 29.700 -0.049 0.000 0.748 16 E HN 0.778 nan 8.360 nan 0.000 0.459 17 E N 0.053 120.203 120.200 -0.083 0.000 2.037 17 E HA -0.253 4.095 4.350 -0.003 0.000 0.214 17 E C 2.041 178.640 176.600 -0.001 0.000 1.041 17 E CA 1.696 58.087 56.400 -0.016 0.000 0.872 17 E CB -0.359 29.332 29.700 -0.014 0.000 0.785 17 E HN 0.362 nan 8.360 nan 0.000 0.476 18 N N 0.201 118.888 118.700 -0.022 0.000 2.309 18 N HA -0.120 4.619 4.740 -0.003 0.000 0.182 18 N C 1.548 177.039 175.510 -0.032 0.000 1.018 18 N CA 0.589 53.624 53.050 -0.024 0.000 0.876 18 N CB -0.443 38.027 38.487 -0.029 0.000 0.972 18 N HN 0.129 nan 8.380 nan 0.000 0.434 19 F N 2.190 122.033 119.950 -0.178 0.000 2.010 19 F HA -0.191 4.334 4.527 -0.003 0.000 0.296 19 F C 2.334 178.071 175.800 -0.106 0.000 1.146 19 F CA 1.648 59.554 58.000 -0.156 0.000 1.181 19 F CB -0.302 38.528 39.000 -0.284 0.000 0.965 19 F HN -0.137 nan 8.300 nan 0.000 0.480 20 K N 0.060 120.630 120.400 0.283 0.000 2.089 20 K HA -0.260 4.058 4.320 -0.003 0.000 0.210 20 K C 2.166 178.719 176.600 -0.078 0.000 1.048 20 K CA 1.521 57.894 56.287 0.144 0.000 0.926 20 K CB -0.568 32.032 32.500 0.167 0.000 0.714 20 K HN 0.428 nan 8.250 nan 0.000 0.448 21 A N 0.600 123.381 122.820 -0.065 0.000 1.930 21 A HA -0.100 4.218 4.320 -0.003 0.000 0.217 21 A C 2.037 179.516 177.584 -0.175 0.000 1.175 21 A CA 1.142 53.125 52.037 -0.090 0.000 0.627 21 A CB -0.394 18.582 19.000 -0.039 0.000 0.815 21 A HN 0.276 nan 8.150 nan 0.000 0.443 22 L N -0.755 120.334 121.223 -0.224 0.000 2.156 22 L HA -0.105 4.233 4.340 -0.003 0.000 0.208 22 L C 2.465 179.090 176.870 -0.407 0.000 1.095 22 L CA 0.597 55.275 54.840 -0.270 0.000 0.770 22 L CB -0.339 41.575 42.059 -0.242 0.000 0.914 22 L HN 0.223 nan 8.230 nan 0.000 0.439 23 V N 0.040 119.618 119.914 -0.560 0.000 2.295 23 V HA -0.302 3.816 4.120 -0.003 0.000 0.246 23 V C 2.399 177.927 176.094 -0.943 0.000 1.049 23 V CA 1.849 63.607 62.300 -0.903 0.000 1.024 23 V CB -0.416 30.847 31.823 -0.933 0.000 0.648 23 V HN 0.370 nan 8.190 nan 0.000 0.447 24 L N 0.070 120.956 121.223 -0.562 0.000 2.079 24 L HA -0.148 4.190 4.340 -0.003 0.000 0.210 24 L C 2.132 178.804 176.870 -0.329 0.000 1.081 24 L CA 1.957 56.566 54.840 -0.385 0.000 0.752 24 L CB -0.491 41.468 42.059 -0.166 0.000 0.896 24 L HN 0.266 nan 8.230 nan 0.000 0.433 25 I N -0.551 119.836 120.570 -0.305 0.000 2.353 25 I HA -0.201 3.967 4.170 -0.003 0.000 0.248 25 I C 2.604 178.539 176.117 -0.305 0.000 1.119 25 I CA 0.881 62.029 61.300 -0.253 0.000 1.417 25 I CB -0.830 37.039 38.000 -0.217 0.000 1.078 25 I HN 0.360 nan 8.210 nan 0.000 0.421 26 A N 1.699 124.284 122.820 -0.391 0.000 1.845 26 A HA -0.193 4.125 4.320 -0.003 0.000 0.215 26 A C 2.115 179.497 177.584 -0.337 0.000 1.195 26 A CA 1.527 53.320 52.037 -0.408 0.000 0.616 26 A CB -0.909 17.883 19.000 -0.346 0.000 0.832 26 A HN 0.267 nan 8.150 nan 0.000 0.443 27 F N 0.186 119.841 119.950 -0.491 0.000 2.065 27 F HA -0.158 4.368 4.527 -0.003 0.000 0.298 27 F C 2.886 178.350 175.800 -0.560 0.000 1.112 27 F CA 0.594 58.276 58.000 -0.530 0.000 1.212 27 F CB -1.448 37.158 39.000 -0.656 0.000 0.975 27 F HN 0.284 nan 8.300 nan 0.000 0.476 28 A N -0.790 121.809 122.820 -0.368 0.000 2.178 28 A HA -0.161 4.157 4.320 -0.003 0.000 0.218 28 A C 2.041 179.586 177.584 -0.066 0.000 1.157 28 A CA 1.206 53.155 52.037 -0.146 0.000 0.689 28 A CB -0.650 18.378 19.000 0.048 0.000 0.787 28 A HN 0.542 nan 8.150 nan 0.000 0.465 29 Q N -2.363 117.346 119.800 -0.151 0.000 2.391 29 Q HA 0.044 4.383 4.340 -0.003 0.000 0.211 29 Q C 1.278 177.256 176.000 -0.037 0.000 0.908 29 Q CA 0.387 56.103 55.803 -0.145 0.000 0.920 29 Q CB 0.055 28.648 28.738 -0.241 0.000 1.056 29 Q HN 0.738 nan 8.270 nan 0.000 0.523 30 Y N 0.200 120.395 120.300 -0.174 0.000 2.269 30 Y HA 0.117 4.666 4.550 -0.003 0.000 0.294 30 Y C 0.973 176.742 175.900 -0.218 0.000 1.120 30 Y CA 0.390 58.338 58.100 -0.253 0.000 1.159 30 Y CB 0.421 38.589 38.460 -0.487 0.000 1.024 30 Y HN -0.038 nan 8.280 nan 0.000 0.532 31 L N 1.356 122.583 121.223 0.008 0.000 2.408 31 L HA 0.205 4.544 4.340 -0.003 0.000 0.257 31 L C 0.765 177.706 176.870 0.118 0.000 1.053 31 L CA -0.071 54.751 54.840 -0.031 0.000 0.922 31 L CB 1.120 43.096 42.059 -0.138 0.000 1.261 31 L HN 0.151 nan 8.230 nan 0.000 0.458 32 Q N 0.366 120.211 119.800 0.075 0.000 2.123 32 Q HA -0.123 4.215 4.340 -0.003 0.000 0.199 32 Q C 1.229 177.293 176.000 0.107 0.000 0.966 32 Q CA 1.091 56.943 55.803 0.081 0.000 0.845 32 Q CB 0.267 29.020 28.738 0.024 0.000 0.907 32 Q HN 0.617 nan 8.270 nan 0.000 0.439 33 Q N -0.263 119.619 119.800 0.138 0.000 2.472 33 Q HA 0.013 4.351 4.340 -0.003 0.000 0.208 33 Q C 0.544 176.721 176.000 0.295 0.000 0.958 33 Q CA 0.122 56.049 55.803 0.208 0.000 0.932 33 Q CB -0.085 28.819 28.738 0.276 0.000 1.007 33 Q HN 0.271 nan 8.270 nan 0.000 0.508 34 C N 2.764 122.176 119.300 0.186 0.000 2.644 34 C HA 0.288 4.746 4.460 -0.003 0.000 0.417 34 C C -2.042 172.933 174.990 -0.024 0.000 1.304 34 C CA -1.401 57.641 59.018 0.040 0.000 2.035 34 C CB 0.178 27.682 27.740 -0.393 0.000 2.673 34 C HN 0.171 nan 8.230 nan 0.000 0.602 35 P HA 0.084 nan 4.420 nan 0.000 0.269 35 P C 0.353 177.495 177.300 -0.264 0.000 1.209 35 P CA 0.020 63.095 63.100 -0.042 0.000 0.776 35 P CB 0.246 31.925 31.700 -0.033 0.000 0.876 36 F N 3.225 122.867 119.950 -0.514 0.000 2.102 36 F HA -0.200 4.326 4.527 -0.003 0.000 0.298 36 F C 1.852 177.439 175.800 -0.356 0.000 1.105 36 F CA 1.726 59.239 58.000 -0.812 0.000 1.239 36 F CB -0.391 38.105 39.000 -0.840 0.000 0.991 36 F HN 0.288 nan 8.300 nan 0.000 0.474 37 E N 0.163 120.196 120.200 -0.278 0.000 2.171 37 E HA -0.237 4.112 4.350 -0.003 0.000 0.197 37 E C 1.752 178.187 176.600 -0.276 0.000 0.997 37 E CA 1.586 57.817 56.400 -0.280 0.000 0.810 37 E CB -0.665 28.983 29.700 -0.086 0.000 0.738 37 E HN 0.518 nan 8.360 nan 0.000 0.467 38 D N 0.148 120.406 120.400 -0.237 0.000 2.103 38 D HA -0.095 4.543 4.640 -0.003 0.000 0.199 38 D C 1.936 178.151 176.300 -0.143 0.000 0.978 38 D CA 0.830 54.723 54.000 -0.179 0.000 0.829 38 D CB -0.369 40.333 40.800 -0.164 0.000 0.981 38 D HN 0.235 nan 8.370 nan 0.000 0.464 39 H N 0.366 119.297 119.070 -0.231 0.000 2.387 39 H HA -0.042 4.512 4.556 -0.003 0.000 0.299 39 H C 2.297 177.489 175.328 -0.226 0.000 1.099 39 H CA 0.448 56.395 56.048 -0.169 0.000 1.315 39 H CB -0.419 29.253 29.762 -0.150 0.000 1.380 39 H HN -0.001 nan 8.280 nan 0.000 0.513 40 V N 1.123 120.835 119.914 -0.338 0.000 2.287 40 V HA -0.260 3.858 4.120 -0.003 0.000 0.248 40 V C 2.586 178.585 176.094 -0.159 0.000 1.053 40 V CA 2.152 64.232 62.300 -0.368 0.000 1.027 40 V CB -0.445 31.022 31.823 -0.594 0.000 0.646 40 V HN 0.369 nan 8.190 nan 0.000 0.447 41 K N 0.224 120.550 120.400 -0.124 0.000 2.001 41 K HA -0.141 4.177 4.320 -0.003 0.000 0.208 41 K C 2.214 178.813 176.600 -0.002 0.000 1.048 41 K CA 1.605 57.859 56.287 -0.056 0.000 0.932 41 K CB -0.280 32.187 32.500 -0.055 0.000 0.715 41 K HN 0.406 nan 8.250 nan 0.000 0.437 42 L N 1.108 122.345 121.223 0.023 0.000 2.013 42 L HA -0.223 4.115 4.340 -0.003 0.000 0.212 42 L C 2.531 179.517 176.870 0.193 0.000 1.073 42 L CA 1.269 56.161 54.840 0.087 0.000 0.753 42 L CB -0.654 41.430 42.059 0.041 0.000 0.890 42 L HN 0.074 nan 8.230 nan 0.000 0.432 43 V N -0.152 119.854 119.914 0.153 0.000 2.358 43 V HA -0.249 3.870 4.120 -0.003 0.000 0.246 43 V C 2.224 178.351 176.094 0.055 0.000 1.047 43 V CA 1.870 64.184 62.300 0.024 0.000 1.035 43 V CB -0.745 31.011 31.823 -0.111 0.000 0.658 43 V HN 0.441 nan 8.190 nan 0.000 0.452 44 N N 0.378 119.099 118.700 0.036 0.000 2.069 44 N HA -0.189 4.549 4.740 -0.003 0.000 0.191 44 N C 1.863 177.420 175.510 0.079 0.000 1.031 44 N CA 1.728 54.806 53.050 0.047 0.000 0.852 44 N CB -0.316 38.179 38.487 0.013 0.000 1.018 44 N HN 0.586 nan 8.380 nan 0.000 0.423 45 E N -0.123 120.123 120.200 0.078 0.000 2.058 45 E HA -0.120 4.228 4.350 -0.003 0.000 0.194 45 E C 1.904 178.598 176.600 0.156 0.000 0.997 45 E CA 0.906 57.361 56.400 0.093 0.000 0.801 45 E CB -0.092 29.645 29.700 0.062 0.000 0.746 45 E HN 0.068 nan 8.360 nan 0.000 0.450 46 V N 0.928 120.955 119.914 0.188 0.000 2.407 46 V HA -0.232 3.886 4.120 -0.003 0.000 0.248 46 V C 2.241 178.546 176.094 0.353 0.000 1.055 46 V CA 2.021 64.493 62.300 0.287 0.000 1.049 46 V CB -0.408 31.553 31.823 0.230 0.000 0.662 46 V HN 0.352 nan 8.190 nan 0.000 0.455 47 T N -0.879 113.839 114.554 0.273 0.000 2.777 47 T HA -0.188 4.160 4.350 -0.003 0.000 0.266 47 T C 1.880 176.624 174.700 0.073 0.000 1.040 47 T CA 1.537 63.782 62.100 0.240 0.000 1.141 47 T CB -0.178 68.832 68.868 0.236 0.000 0.868 47 T HN 0.587 nan 8.240 nan 0.000 0.444 48 E N 0.023 120.277 120.200 0.090 0.000 2.110 48 E HA -0.160 4.188 4.350 -0.003 0.000 0.193 48 E C 1.949 178.571 176.600 0.035 0.000 0.988 48 E CA 0.937 57.358 56.400 0.036 0.000 0.804 48 E CB -0.193 29.543 29.700 0.059 0.000 0.745 48 E HN 0.485 nan 8.360 nan 0.000 0.458 49 F N 1.432 121.369 119.950 -0.023 0.000 2.051 49 F HA -0.130 4.396 4.527 -0.003 0.000 0.296 49 F C 2.232 177.974 175.800 -0.097 0.000 1.122 49 F CA 1.716 59.703 58.000 -0.022 0.000 1.201 49 F CB -0.914 38.117 39.000 0.052 0.000 0.978 49 F HN 0.063 nan 8.300 nan 0.000 0.472 50 A N 0.638 123.347 122.820 -0.185 0.000 1.915 50 A HA -0.342 3.977 4.320 -0.003 0.000 0.220 50 A C 2.292 179.422 177.584 -0.757 0.000 1.198 50 A CA 2.541 54.285 52.037 -0.489 0.000 0.647 50 A CB -1.010 17.665 19.000 -0.541 0.000 0.825 50 A HN 0.543 nan 8.150 nan 0.000 0.456 51 K N -1.021 118.944 120.400 -0.726 0.000 2.063 51 K HA -0.148 4.170 4.320 -0.003 0.000 0.208 51 K C 2.262 178.608 176.600 -0.424 0.000 1.048 51 K CA 1.879 57.782 56.287 -0.640 0.000 0.928 51 K CB -0.482 31.756 32.500 -0.437 0.000 0.713 51 K HN 0.817 nan 8.250 nan 0.000 0.442 52 T N -0.876 113.455 114.554 -0.372 0.000 2.788 52 T HA -0.152 4.196 4.350 -0.003 0.000 0.268 52 T C 2.279 176.786 174.700 -0.323 0.000 1.044 52 T CA 1.263 63.193 62.100 -0.283 0.000 1.139 52 T CB -0.820 67.914 68.868 -0.224 0.000 0.867 52 T HN 0.201 nan 8.240 nan 0.000 0.454 53 c N 1.015 119.328 118.600 -0.479 0.000 2.432 53 c HA 0.137 4.705 4.570 -0.003 0.000 0.280 53 c C 2.902 176.833 174.090 -0.266 0.000 1.353 53 c CA -0.092 56.003 56.329 -0.389 0.000 1.766 53 c CB -1.277 40.933 42.510 -0.500 0.000 1.924 53 c HN 0.443 nan 8.230 nan 0.000 0.509 54 V N 0.989 120.716 119.914 -0.312 0.000 2.591 54 V HA -0.067 4.051 4.120 -0.003 0.000 0.249 54 V C 2.550 178.556 176.094 -0.146 0.000 1.053 54 V CA 1.952 64.123 62.300 -0.216 0.000 1.068 54 V CB -0.798 30.859 31.823 -0.278 0.000 0.689 54 V HN 0.562 nan 8.190 nan 0.000 0.462 55 A N -0.947 121.775 122.820 -0.163 0.000 2.167 55 A HA 0.027 4.346 4.320 -0.003 0.000 0.214 55 A C 0.804 178.335 177.584 -0.088 0.000 1.151 55 A CA 1.122 53.093 52.037 -0.111 0.000 0.735 55 A CB -0.013 18.919 19.000 -0.112 0.000 0.802 55 A HN 0.515 nan 8.150 nan 0.000 0.467 56 D N -1.343 118.996 120.400 -0.103 0.000 2.300 56 D HA 0.096 4.734 4.640 -0.003 0.000 0.218 56 D C 0.351 176.601 176.300 -0.083 0.000 1.326 56 D CA -0.309 53.646 54.000 -0.076 0.000 0.942 56 D CB 0.382 41.143 40.800 -0.066 0.000 1.495 56 D HN 0.124 nan 8.370 nan 0.000 0.545 57 E N 0.709 120.873 120.200 -0.060 0.000 2.204 57 E HA -0.081 4.267 4.350 -0.003 0.000 0.195 57 E C 1.061 177.643 176.600 -0.031 0.000 0.990 57 E CA 0.870 57.242 56.400 -0.048 0.000 0.821 57 E CB 0.162 29.849 29.700 -0.022 0.000 0.750 57 E HN 0.346 nan 8.360 nan 0.000 0.477 58 S N 0.905 116.590 115.700 -0.024 0.000 2.603 58 S HA 0.197 4.665 4.470 -0.003 0.000 0.220 58 S C 1.019 175.618 174.600 -0.003 0.000 0.967 58 S CA 0.126 58.322 58.200 -0.008 0.000 0.920 58 S CB 0.048 63.244 63.200 -0.007 0.000 0.773 58 S HN 0.297 nan 8.310 nan 0.000 0.529 59 A N 2.065 124.873 122.820 -0.020 0.000 2.454 59 A HA 0.156 4.474 4.320 -0.003 0.000 0.256 59 A C 1.548 179.160 177.584 0.046 0.000 1.132 59 A CA 0.098 52.132 52.037 -0.006 0.000 0.810 59 A CB -0.170 18.797 19.000 -0.055 0.000 1.083 59 A HN 0.248 nan 8.150 nan 0.000 0.516 60 E N 0.309 120.557 120.200 0.081 0.000 2.041 60 E HA -0.224 4.125 4.350 -0.003 0.000 0.227 60 E C 0.893 177.585 176.600 0.152 0.000 1.039 60 E CA 2.565 59.035 56.400 0.117 0.000 0.904 60 E CB -0.141 29.643 29.700 0.139 0.000 0.808 60 E HN 0.673 nan 8.360 nan 0.000 0.510 61 N N -0.813 118.055 118.700 0.279 0.000 2.273 61 N HA 0.054 4.792 4.740 -0.003 0.000 0.231 61 N C 0.308 176.042 175.510 0.372 0.000 1.134 61 N CA 0.119 53.331 53.050 0.269 0.000 0.856 61 N CB 0.149 38.732 38.487 0.160 0.000 1.068 61 N HN 0.227 nan 8.380 nan 0.000 0.510 62 c N 1.112 119.872 118.600 0.266 0.000 2.421 62 c HA -0.078 4.491 4.570 -0.003 0.000 0.296 62 c C 1.921 176.081 174.090 0.117 0.000 1.470 62 c CA 0.419 56.828 56.329 0.134 0.000 1.779 62 c CB -1.014 41.473 42.510 -0.039 0.000 1.715 62 c HN 0.529 nan 8.230 nan 0.000 0.564 63 D N -0.052 120.417 120.400 0.114 0.000 2.349 63 D HA 0.012 4.650 4.640 -0.003 0.000 0.214 63 D C 0.489 176.839 176.300 0.083 0.000 1.063 63 D CA 0.114 54.161 54.000 0.079 0.000 0.847 63 D CB -0.023 40.811 40.800 0.057 0.000 0.933 63 D HN 0.383 nan 8.370 nan 0.000 0.513 64 K N 1.174 121.642 120.400 0.114 0.000 2.219 64 K HA 0.156 4.474 4.320 -0.003 0.000 0.258 64 K C 0.607 177.245 176.600 0.063 0.000 1.008 64 K CA -0.276 56.063 56.287 0.088 0.000 0.928 64 K CB 0.951 33.508 32.500 0.095 0.000 0.983 64 K HN 0.084 nan 8.250 nan 0.000 0.484 65 S N 1.714 117.438 115.700 0.040 0.000 2.576 65 S HA 0.079 4.548 4.470 -0.003 0.000 0.276 65 S C 1.395 175.961 174.600 -0.055 0.000 1.339 65 S CA -0.574 57.624 58.200 -0.003 0.000 1.039 65 S CB 0.479 63.689 63.200 0.016 0.000 0.902 65 S HN 0.570 nan 8.310 nan 0.000 0.516 66 L N 1.164 122.267 121.223 -0.201 0.000 2.043 66 L HA -0.169 4.169 4.340 -0.003 0.000 0.212 66 L C 2.641 179.292 176.870 -0.364 0.000 1.075 66 L CA 1.520 56.070 54.840 -0.483 0.000 0.752 66 L CB -0.818 40.755 42.059 -0.811 0.000 0.891 66 L HN 0.781 nan 8.230 nan 0.000 0.432 67 H N -0.328 118.671 119.070 -0.120 0.000 2.353 67 H HA -0.124 4.430 4.556 -0.003 0.000 0.300 67 H C 2.377 177.775 175.328 0.116 0.000 1.090 67 H CA 1.860 57.937 56.048 0.048 0.000 1.327 67 H CB -0.650 29.169 29.762 0.095 0.000 1.383 67 H HN 0.337 nan 8.280 nan 0.000 0.508 68 T N 1.755 116.423 114.554 0.190 0.000 2.607 68 T HA -0.145 4.203 4.350 -0.003 0.000 0.267 68 T C 2.501 177.295 174.700 0.158 0.000 1.049 68 T CA 1.413 63.599 62.100 0.143 0.000 1.162 68 T CB -0.615 68.307 68.868 0.090 0.000 0.863 68 T HN 0.185 nan 8.240 nan 0.000 0.424 69 L N -0.418 120.898 121.223 0.155 0.000 2.012 69 L HA -0.077 4.261 4.340 -0.003 0.000 0.210 69 L C 2.541 179.649 176.870 0.397 0.000 1.073 69 L CA 1.342 56.303 54.840 0.201 0.000 0.748 69 L CB -0.681 41.516 42.059 0.231 0.000 0.891 69 L HN 0.162 nan 8.230 nan 0.000 0.431 70 F N 0.349 120.418 119.950 0.198 0.000 2.325 70 F HA -0.026 4.499 4.527 -0.003 0.000 0.299 70 F C 2.379 178.270 175.800 0.152 0.000 1.090 70 F CA 0.948 59.124 58.000 0.293 0.000 1.392 70 F CB -1.299 37.935 39.000 0.390 0.000 1.053 70 F HN -0.000 nan 8.300 nan 0.000 0.521 71 G N -0.889 108.122 108.800 0.351 0.000 2.539 71 G HA2 -0.125 3.833 3.960 -0.003 0.000 0.215 71 G HA3 -0.125 3.833 3.960 -0.003 0.000 0.215 71 G C 1.238 176.211 174.900 0.121 0.000 1.141 71 G CA 0.373 45.622 45.100 0.248 0.000 0.806 71 G HN 0.179 nan 8.290 nan 0.000 0.533 72 D N 0.527 120.981 120.400 0.089 0.000 2.144 72 D HA -0.024 4.614 4.640 -0.003 0.000 0.200 72 D C 2.262 178.544 176.300 -0.029 0.000 0.978 72 D CA 0.799 54.814 54.000 0.025 0.000 0.833 72 D CB 0.041 40.847 40.800 0.011 0.000 0.961 72 D HN 0.173 nan 8.370 nan 0.000 0.470 73 K N 0.556 120.921 120.400 -0.059 0.000 2.025 73 K HA 0.041 4.359 4.320 -0.003 0.000 0.207 73 K C 2.041 178.476 176.600 -0.275 0.000 1.049 73 K CA 0.642 56.839 56.287 -0.150 0.000 0.933 73 K CB -0.472 31.941 32.500 -0.146 0.000 0.714 73 K HN 0.083 nan 8.250 nan 0.000 0.438 74 L N -0.059 120.934 121.223 -0.384 0.000 2.042 74 L HA -0.259 4.079 4.340 -0.003 0.000 0.210 74 L C 2.230 178.977 176.870 -0.206 0.000 1.076 74 L CA 1.228 55.803 54.840 -0.441 0.000 0.749 74 L CB -0.339 41.414 42.059 -0.509 0.000 0.893 74 L HN 0.284 nan 8.230 nan 0.000 0.432 75 c N -0.696 117.859 118.600 -0.075 0.000 2.456 75 c HA -0.092 4.476 4.570 -0.003 0.000 0.279 75 c C 2.808 176.876 174.090 -0.036 0.000 1.427 75 c CA 1.094 57.415 56.329 -0.014 0.000 1.778 75 c CB -1.353 41.173 42.510 0.028 0.000 1.842 75 c HN 0.649 nan 8.230 nan 0.000 0.531 76 T N -2.203 112.313 114.554 -0.063 0.000 3.098 76 T HA -0.027 4.321 4.350 -0.003 0.000 0.266 76 T C 1.147 175.825 174.700 -0.035 0.000 1.145 76 T CA 1.402 63.474 62.100 -0.047 0.000 1.092 76 T CB -0.168 68.667 68.868 -0.055 0.000 0.908 76 T HN 0.371 nan 8.240 nan 0.000 0.526 77 V N -0.545 119.340 119.914 -0.048 0.000 3.497 77 V HA 0.490 4.609 4.120 -0.003 0.000 0.272 77 V C 2.613 178.726 176.094 0.032 0.000 1.474 77 V CA 0.199 62.495 62.300 -0.007 0.000 1.025 77 V CB -0.013 31.783 31.823 -0.044 0.000 0.820 77 V HN 0.502 nan 8.190 nan 0.000 0.437 78 A N 0.187 122.981 122.820 -0.043 0.000 2.014 78 A HA -0.092 4.227 4.320 -0.003 0.000 0.218 78 A C 1.880 179.515 177.584 0.085 0.000 1.163 78 A CA 1.848 53.865 52.037 -0.034 0.000 0.652 78 A CB -0.628 18.348 19.000 -0.039 0.000 0.808 78 A HN 0.449 nan 8.150 nan 0.000 0.449 79 T N 0.951 115.536 114.554 0.052 0.000 3.541 79 T HA 0.243 4.591 4.350 -0.003 0.000 0.255 79 T C 0.045 174.777 174.700 0.053 0.000 1.158 79 T CA 0.502 62.626 62.100 0.039 0.000 1.000 79 T CB -0.958 67.917 68.868 0.012 0.000 1.008 79 T HN 0.292 nan 8.240 nan 0.000 0.568 80 L N 1.831 123.117 121.223 0.106 0.000 2.377 80 L HA 0.458 4.796 4.340 -0.003 0.000 0.270 80 L C 1.328 178.228 176.870 0.050 0.000 0.991 80 L CA -0.892 53.984 54.840 0.060 0.000 0.851 80 L CB 1.439 43.523 42.059 0.043 0.000 1.218 80 L HN 0.110 nan 8.230 nan 0.000 0.420 81 R N 1.046 121.556 120.500 0.017 0.000 2.276 81 R HA -0.011 4.328 4.340 -0.003 0.000 0.196 81 R C 1.119 177.394 176.300 -0.043 0.000 0.961 81 R CA 0.447 56.551 56.100 0.007 0.000 1.024 81 R CB 0.168 30.475 30.300 0.011 0.000 0.940 81 R HN 0.644 nan 8.270 nan 0.000 0.480 82 E N 1.050 121.211 120.200 -0.065 0.000 2.516 82 E HA -0.056 4.293 4.350 -0.003 0.000 0.199 82 E C -0.008 176.505 176.600 -0.144 0.000 1.069 82 E CA 0.983 57.334 56.400 -0.082 0.000 0.876 82 E CB 0.316 29.975 29.700 -0.068 0.000 0.843 82 E HN 0.438 nan 8.360 nan 0.000 0.530 83 T N -1.476 112.940 114.554 -0.231 0.000 3.254 83 T HA 0.052 4.401 4.350 -0.003 0.000 0.267 83 T C 0.362 174.741 174.700 -0.534 0.000 0.946 83 T CA -0.141 61.684 62.100 -0.459 0.000 0.991 83 T CB -0.042 68.385 68.868 -0.735 0.000 1.205 83 T HN 0.117 nan 8.240 nan 0.000 0.494 84 Y N 1.472 121.763 120.300 -0.015 0.000 2.481 84 Y HA 0.507 5.055 4.550 -0.003 0.000 0.247 84 Y C 1.901 177.794 175.900 -0.012 0.000 1.151 84 Y CA -0.567 57.526 58.100 -0.011 0.000 1.238 84 Y CB -0.249 38.203 38.460 -0.014 0.000 1.179 84 Y HN 0.374 nan 8.280 nan 0.000 0.524 85 G N 1.393 110.242 108.800 0.081 0.000 2.690 85 G HA2 -0.473 3.485 3.960 -0.003 0.000 0.334 85 G HA3 -0.473 3.485 3.960 -0.003 0.000 0.334 85 G C 1.375 176.301 174.900 0.043 0.000 1.250 85 G CA 1.224 46.354 45.100 0.051 0.000 0.994 85 G HN 0.417 nan 8.290 nan 0.000 0.549 86 E N 0.032 120.257 120.200 0.041 0.000 2.171 86 E HA -0.168 4.180 4.350 -0.003 0.000 0.197 86 E C 2.728 179.254 176.600 -0.124 0.000 0.997 86 E CA 1.520 57.926 56.400 0.009 0.000 0.810 86 E CB -0.207 29.559 29.700 0.111 0.000 0.738 86 E HN 0.462 nan 8.360 nan 0.000 0.467 87 M N 0.259 119.785 119.600 -0.123 0.000 2.260 87 M HA -0.159 4.320 4.480 -0.003 0.000 0.261 87 M C 2.410 178.631 176.300 -0.132 0.000 1.066 87 M CA 1.142 56.330 55.300 -0.186 0.000 1.082 87 M CB -0.922 31.650 32.600 -0.048 0.000 1.388 87 M HN 0.140 nan 8.290 nan 0.000 0.419 88 A N 0.385 123.168 122.820 -0.061 0.000 1.978 88 A HA -0.185 4.133 4.320 -0.003 0.000 0.220 88 A C 1.703 179.230 177.584 -0.095 0.000 1.170 88 A CA 2.029 54.037 52.037 -0.048 0.000 0.636 88 A CB -0.722 18.272 19.000 -0.010 0.000 0.810 88 A HN 0.409 nan 8.150 nan 0.000 0.448 89 D N -0.822 119.504 120.400 -0.123 0.000 2.219 89 D HA -0.087 4.551 4.640 -0.003 0.000 0.205 89 D C 1.794 177.979 176.300 -0.193 0.000 0.970 89 D CA 1.160 55.085 54.000 -0.126 0.000 0.851 89 D CB -0.490 40.256 40.800 -0.090 0.000 0.943 89 D HN 0.489 nan 8.370 nan 0.000 0.488 90 c N -0.146 118.265 118.600 -0.315 0.000 2.440 90 c HA -0.094 4.474 4.570 -0.003 0.000 0.278 90 c C 2.630 176.472 174.090 -0.413 0.000 1.295 90 c CA 0.067 56.099 56.329 -0.494 0.000 1.738 90 c CB -0.833 41.089 42.510 -0.979 0.000 1.987 90 c HN 0.442 nan 8.230 nan 0.000 0.492 91 c N 1.171 119.606 118.600 -0.275 0.000 2.491 91 c HA 0.142 4.710 4.570 -0.003 0.000 0.277 91 c C 2.781 176.807 174.090 -0.106 0.000 1.455 91 c CA 0.775 57.019 56.329 -0.142 0.000 1.758 91 c CB -1.843 40.636 42.510 -0.052 0.000 1.745 91 c HN 0.715 nan 8.230 nan 0.000 0.558 92 A N 0.450 123.198 122.820 -0.120 0.000 2.030 92 A HA 0.054 4.372 4.320 -0.003 0.000 0.215 92 A C 1.277 178.810 177.584 -0.085 0.000 1.164 92 A CA 0.748 52.734 52.037 -0.084 0.000 0.697 92 A CB 0.004 18.958 19.000 -0.075 0.000 0.827 92 A HN 0.637 nan 8.150 nan 0.000 0.457 93 K N -0.484 119.844 120.400 -0.120 0.000 2.488 93 K HA 0.504 4.823 4.320 -0.003 0.000 0.255 93 K C -0.307 176.237 176.600 -0.094 0.000 1.036 93 K CA -0.295 55.927 56.287 -0.108 0.000 0.990 93 K CB 0.266 32.683 32.500 -0.138 0.000 1.304 93 K HN 0.351 nan 8.250 nan 0.000 0.505 94 Q N 0.220 119.976 119.800 -0.074 0.000 2.495 94 Q HA 0.218 4.557 4.340 -0.003 0.000 0.287 94 Q C -1.130 174.853 176.000 -0.029 0.000 1.078 94 Q CA -1.013 54.764 55.803 -0.042 0.000 0.793 94 Q CB 1.909 30.634 28.738 -0.022 0.000 1.459 94 Q HN 0.334 nan 8.270 nan 0.000 0.422 95 E N 2.487 122.691 120.200 0.007 0.000 2.373 95 E HA 0.057 4.405 4.350 -0.003 0.000 0.267 95 E C -1.678 174.942 176.600 0.033 0.000 1.032 95 E CA -1.263 55.157 56.400 0.034 0.000 0.889 95 E CB 0.532 30.286 29.700 0.090 0.000 0.984 95 E HN 0.412 nan 8.360 nan 0.000 0.425 96 P HA 0.119 nan 4.420 nan 0.000 0.262 96 P C 0.144 177.450 177.300 0.010 0.000 1.304 96 P CA 0.212 63.345 63.100 0.056 0.000 0.859 96 P CB 0.663 32.420 31.700 0.095 0.000 1.310 97 E N 0.663 120.850 120.200 -0.021 0.000 2.150 97 E HA -0.126 4.223 4.350 -0.003 0.000 0.193 97 E C 2.243 178.769 176.600 -0.123 0.000 0.985 97 E CA 0.929 57.297 56.400 -0.053 0.000 0.814 97 E CB -0.528 29.140 29.700 -0.053 0.000 0.752 97 E HN 0.218 nan 8.360 nan 0.000 0.466 98 R N 0.636 121.040 120.500 -0.160 0.000 2.070 98 R HA -0.153 4.185 4.340 -0.003 0.000 0.233 98 R C 2.091 178.140 176.300 -0.418 0.000 1.137 98 R CA 1.813 57.717 56.100 -0.326 0.000 0.945 98 R CB -0.257 29.881 30.300 -0.268 0.000 0.845 98 R HN 0.160 nan 8.270 nan 0.000 0.430 99 N N 0.372 118.946 118.700 -0.210 0.000 2.120 99 N HA -0.224 4.514 4.740 -0.003 0.000 0.188 99 N C 1.707 177.115 175.510 -0.171 0.000 1.024 99 N CA 1.704 54.634 53.050 -0.199 0.000 0.852 99 N CB -0.033 38.226 38.487 -0.380 0.000 1.003 99 N HN 0.327 nan 8.380 nan 0.000 0.424 100 E N -0.461 119.689 120.200 -0.083 0.000 2.130 100 E HA -0.254 4.094 4.350 -0.003 0.000 0.196 100 E C 1.975 178.547 176.600 -0.046 0.000 0.998 100 E CA 1.223 57.621 56.400 -0.002 0.000 0.806 100 E CB -0.245 29.463 29.700 0.015 0.000 0.738 100 E HN 0.534 nan 8.360 nan 0.000 0.459 101 c N -0.238 118.275 118.600 -0.144 0.000 2.462 101 c HA -0.114 4.454 4.570 -0.003 0.000 0.278 101 c C 2.341 176.383 174.090 -0.079 0.000 1.253 101 c CA 0.461 56.711 56.329 -0.132 0.000 1.713 101 c CB -1.379 40.955 42.510 -0.293 0.000 2.049 101 c HN 0.487 nan 8.230 nan 0.000 0.477 102 F N 1.586 121.381 119.950 -0.259 0.000 2.087 102 F HA -0.148 4.377 4.527 -0.003 0.000 0.299 102 F C 2.250 177.844 175.800 -0.343 0.000 1.100 102 F CA 1.756 59.459 58.000 -0.494 0.000 1.226 102 F CB -1.125 37.185 39.000 -1.150 0.000 0.983 102 F HN 0.231 nan 8.300 nan 0.000 0.479 103 L N -0.825 120.379 121.223 -0.031 0.000 2.083 103 L HA -0.236 4.102 4.340 -0.003 0.000 0.209 103 L C 2.426 179.368 176.870 0.120 0.000 1.083 103 L CA 1.396 56.297 54.840 0.102 0.000 0.752 103 L CB -0.801 41.334 42.059 0.127 0.000 0.899 103 L HN 0.209 nan 8.230 nan 0.000 0.433 104 Q N -0.451 119.403 119.800 0.091 0.000 2.364 104 Q HA -0.205 4.134 4.340 -0.003 0.000 0.209 104 Q C 1.174 177.150 176.000 -0.039 0.000 0.977 104 Q CA 1.265 57.088 55.803 0.033 0.000 0.885 104 Q CB 0.151 28.892 28.738 0.005 0.000 0.941 104 Q HN 0.587 nan 8.270 nan 0.000 0.464 105 H N -1.001 118.087 119.070 0.030 0.000 2.594 105 H HA 0.241 4.795 4.556 -0.003 0.000 0.279 105 H C -0.502 174.859 175.328 0.057 0.000 1.042 105 H CA -0.140 55.933 56.048 0.041 0.000 1.177 105 H CB 0.536 30.321 29.762 0.039 0.000 1.524 105 H HN -0.054 nan 8.280 nan 0.000 0.537 106 K N 1.868 122.357 120.400 0.148 0.000 2.419 106 K HA -0.035 4.283 4.320 -0.003 0.000 0.282 106 K C -0.354 176.318 176.600 0.120 0.000 1.056 106 K CA 0.005 56.344 56.287 0.086 0.000 1.035 106 K CB 0.363 32.814 32.500 -0.081 0.000 0.921 106 K HN 0.176 nan 8.250 nan 0.000 0.472 107 D N 2.679 123.134 120.400 0.092 0.000 2.312 107 D HA 0.007 4.646 4.640 -0.003 0.000 0.252 107 D C 0.323 176.677 176.300 0.089 0.000 1.150 107 D CA -0.052 53.997 54.000 0.081 0.000 0.870 107 D CB 0.982 41.815 40.800 0.055 0.000 1.153 107 D HN 0.441 nan 8.370 nan 0.000 0.457 108 D N 2.455 122.916 120.400 0.102 0.000 2.234 108 D HA -0.090 4.548 4.640 -0.003 0.000 0.205 108 D C 0.241 176.552 176.300 0.018 0.000 0.962 108 D CA 0.697 54.754 54.000 0.095 0.000 0.855 108 D CB 0.332 41.179 40.800 0.078 0.000 0.951 108 D HN 0.460 nan 8.370 nan 0.000 0.500 109 N N 0.469 119.170 118.700 0.001 0.000 2.727 109 N HA 0.191 4.929 4.740 -0.003 0.000 0.252 109 N C -2.859 172.637 175.510 -0.024 0.000 1.283 109 N CA -1.294 51.740 53.050 -0.027 0.000 0.782 109 N CB 1.568 40.040 38.487 -0.024 0.000 1.199 109 N HN -0.242 nan 8.380 nan 0.000 0.520 110 P HA 0.098 nan 4.420 nan 0.000 0.272 110 P C -0.860 176.425 177.300 -0.025 0.000 1.230 110 P CA -0.296 62.792 63.100 -0.020 0.000 0.788 110 P CB 0.533 32.213 31.700 -0.034 0.000 0.949 111 N N 1.686 120.379 118.700 -0.011 0.000 3.298 111 N HA 0.140 4.878 4.740 -0.003 0.000 0.292 111 N C -0.392 175.109 175.510 -0.015 0.000 1.271 111 N CA 0.029 53.071 53.050 -0.015 0.000 1.184 111 N CB -0.194 38.288 38.487 -0.007 0.000 1.452 111 N HN 0.321 nan 8.380 nan 0.000 0.534 112 L N 0.959 122.165 121.223 -0.028 0.000 2.344 112 L HA 0.475 4.813 4.340 -0.003 0.000 0.272 112 L C -1.770 175.083 176.870 -0.028 0.000 1.035 112 L CA -1.909 52.914 54.840 -0.030 0.000 0.807 112 L CB 0.680 42.707 42.059 -0.054 0.000 1.237 112 L HN -0.009 nan 8.230 nan 0.000 0.442 113 P HA 0.069 nan 4.420 nan 0.000 0.266 113 P C -0.628 176.661 177.300 -0.019 0.000 1.195 113 P CA -0.260 62.831 63.100 -0.014 0.000 0.768 113 P CB 0.392 32.090 31.700 -0.003 0.000 0.838 114 R N 2.374 122.866 120.500 -0.014 0.000 2.491 114 R HA 0.167 4.505 4.340 -0.003 0.000 0.283 114 R C -0.501 175.798 176.300 -0.002 0.000 1.072 114 R CA -0.593 55.501 56.100 -0.010 0.000 1.048 114 R CB 0.132 30.429 30.300 -0.004 0.000 0.983 114 R HN 0.336 nan 8.270 nan 0.000 0.450 115 L N 5.607 126.830 121.223 -0.000 0.000 2.319 115 L HA 0.242 4.580 4.340 -0.003 0.000 0.280 115 L C -0.576 176.311 176.870 0.029 0.000 1.099 115 L CA 0.245 55.091 54.840 0.010 0.000 0.828 115 L CB 1.353 43.413 42.059 0.002 0.000 1.150 115 L HN 0.378 nan 8.230 nan 0.000 0.442 116 V N 6.430 126.365 119.914 0.035 0.000 2.864 116 V HA 0.700 4.818 4.120 -0.003 0.000 0.314 116 V C -0.602 175.530 176.094 0.062 0.000 1.073 116 V CA -0.836 61.492 62.300 0.045 0.000 0.956 116 V CB 2.043 33.888 31.823 0.036 0.000 1.023 116 V HN 0.930 nan 8.190 nan 0.000 0.435 117 R N 4.851 125.397 120.500 0.075 0.000 2.407 117 R HA 0.743 5.081 4.340 -0.003 0.000 0.303 117 R C -2.696 173.658 176.300 0.091 0.000 0.981 117 R CA -1.604 54.557 56.100 0.103 0.000 0.905 117 R CB 0.756 31.132 30.300 0.127 0.000 1.099 117 R HN 0.511 nan 8.270 nan 0.000 0.459 118 P HA 0.087 nan 4.420 nan 0.000 0.275 118 P C -0.621 176.732 177.300 0.087 0.000 1.266 118 P CA -0.664 62.489 63.100 0.088 0.000 0.793 118 P CB 0.493 32.252 31.700 0.099 0.000 1.074 119 E N -0.764 119.476 120.200 0.067 0.000 2.468 119 E HA -0.039 4.309 4.350 -0.003 0.000 0.263 119 E C 1.074 177.714 176.600 0.066 0.000 1.192 119 E CA -0.263 56.169 56.400 0.054 0.000 1.016 119 E CB 0.158 29.883 29.700 0.042 0.000 0.980 119 E HN 0.057 nan 8.360 nan 0.000 0.467 120 V N 1.602 121.542 119.914 0.042 0.000 2.515 120 V HA -0.208 3.910 4.120 -0.003 0.000 0.250 120 V C 1.461 177.584 176.094 0.049 0.000 1.058 120 V CA 1.669 63.990 62.300 0.035 0.000 1.064 120 V CB -0.415 31.400 31.823 -0.013 0.000 0.675 120 V HN 0.590 nan 8.190 nan 0.000 0.461 121 D N 0.250 120.675 120.400 0.043 0.000 2.077 121 D HA -0.123 4.515 4.640 -0.003 0.000 0.196 121 D C 2.230 178.564 176.300 0.057 0.000 0.986 121 D CA 1.591 55.619 54.000 0.046 0.000 0.829 121 D CB -0.382 40.440 40.800 0.036 0.000 0.983 121 D HN 0.289 nan 8.370 nan 0.000 0.453 122 V N 1.520 121.470 119.914 0.060 0.000 2.218 122 V HA -0.356 3.763 4.120 -0.003 0.000 0.251 122 V C 2.670 178.809 176.094 0.074 0.000 1.057 122 V CA 2.080 64.419 62.300 0.066 0.000 1.022 122 V CB -0.727 31.141 31.823 0.074 0.000 0.645 122 V HN 0.198 nan 8.190 nan 0.000 0.451 123 M N -0.796 118.873 119.600 0.115 0.000 2.088 123 M HA -0.274 4.204 4.480 -0.003 0.000 0.256 123 M C 2.371 178.652 176.300 -0.032 0.000 1.071 123 M CA 2.405 57.788 55.300 0.138 0.000 1.097 123 M CB -0.827 31.985 32.600 0.353 0.000 1.315 123 M HN 0.480 nan 8.290 nan 0.000 0.406 124 c N 0.074 118.705 118.600 0.051 0.000 2.422 124 c HA -0.130 4.438 4.570 -0.003 0.000 0.279 124 c C 2.800 176.884 174.090 -0.011 0.000 1.305 124 c CA 1.509 57.848 56.329 0.018 0.000 1.757 124 c CB -1.230 41.330 42.510 0.083 0.000 1.962 124 c HN 0.619 nan 8.230 nan 0.000 0.499 125 T N 1.236 115.805 114.554 0.026 0.000 2.639 125 T HA -0.090 4.258 4.350 -0.003 0.000 0.261 125 T C 2.251 176.924 174.700 -0.044 0.000 1.053 125 T CA 1.547 63.673 62.100 0.044 0.000 1.158 125 T CB -0.768 68.126 68.868 0.042 0.000 0.863 125 T HN 0.585 nan 8.240 nan 0.000 0.413 126 A N 1.684 124.467 122.820 -0.061 0.000 1.896 126 A HA -0.194 4.125 4.320 -0.003 0.000 0.220 126 A C 2.046 179.492 177.584 -0.230 0.000 1.206 126 A CA 2.187 54.190 52.037 -0.058 0.000 0.647 126 A CB -1.333 17.702 19.000 0.057 0.000 0.828 126 A HN 0.446 nan 8.150 nan 0.000 0.455 127 F N 0.456 119.945 119.950 -0.768 0.000 2.065 127 F HA -0.276 4.249 4.527 -0.003 0.000 0.298 127 F C 2.226 177.696 175.800 -0.549 0.000 1.112 127 F CA 2.467 59.810 58.000 -1.094 0.000 1.212 127 F CB -0.829 37.297 39.000 -1.455 0.000 0.975 127 F HN 0.474 nan 8.300 nan 0.000 0.476 128 H N -1.361 117.455 119.070 -0.424 0.000 2.357 128 H HA -0.119 4.436 4.556 -0.003 0.000 0.301 128 H C 1.950 177.106 175.328 -0.288 0.000 1.082 128 H CA 1.374 57.178 56.048 -0.407 0.000 1.342 128 H CB -0.430 29.219 29.762 -0.188 0.000 1.389 128 H HN 0.259 nan 8.280 nan 0.000 0.511 129 D N 0.279 120.632 120.400 -0.078 0.000 2.126 129 D HA -0.184 4.455 4.640 -0.003 0.000 0.190 129 D C 0.353 176.610 176.300 -0.072 0.000 1.001 129 D CA 1.291 55.260 54.000 -0.051 0.000 0.841 129 D CB 0.063 40.849 40.800 -0.023 0.000 0.949 129 D HN 0.177 nan 8.370 nan 0.000 0.446 130 N N -0.966 117.673 118.700 -0.101 0.000 2.701 130 N HA -0.001 4.738 4.740 -0.003 0.000 0.258 130 N C 0.140 175.604 175.510 -0.076 0.000 1.262 130 N CA -0.071 52.940 53.050 -0.064 0.000 0.780 130 N CB 0.812 39.307 38.487 0.012 0.000 1.380 130 N HN 0.204 nan 8.380 nan 0.000 0.548 131 E N 1.377 121.454 120.200 -0.206 0.000 2.085 131 E HA -0.200 4.148 4.350 -0.003 0.000 0.194 131 E C 0.516 177.184 176.600 0.114 0.000 0.994 131 E CA 0.903 57.206 56.400 -0.162 0.000 0.801 131 E CB 0.126 29.608 29.700 -0.365 0.000 0.743 131 E HN 0.480 nan 8.360 nan 0.000 0.453 132 E N 0.960 121.205 120.200 0.074 0.000 2.033 132 E HA -0.167 4.181 4.350 -0.003 0.000 0.199 132 E C 2.352 179.047 176.600 0.159 0.000 1.011 132 E CA 1.866 58.334 56.400 0.113 0.000 0.815 132 E CB -0.691 29.057 29.700 0.080 0.000 0.755 132 E HN 0.313 nan 8.360 nan 0.000 0.451 133 T N 1.396 116.045 114.554 0.158 0.000 2.803 133 T HA -0.159 4.190 4.350 -0.003 0.000 0.269 133 T C 1.558 176.344 174.700 0.142 0.000 1.052 133 T CA 1.124 63.348 62.100 0.207 0.000 1.136 133 T CB -0.421 68.557 68.868 0.184 0.000 0.864 133 T HN 0.136 nan 8.240 nan 0.000 0.467 134 F N 1.271 121.234 119.950 0.022 0.000 2.171 134 F HA 0.038 4.563 4.527 -0.003 0.000 0.300 134 F C 1.752 177.584 175.800 0.054 0.000 1.090 134 F CA 1.105 59.103 58.000 -0.003 0.000 1.293 134 F CB -0.245 38.747 39.000 -0.013 0.000 1.013 134 F HN 0.074 nan 8.300 nan 0.000 0.486 135 L N -0.539 120.732 121.223 0.081 0.000 2.307 135 L HA -0.044 4.295 4.340 -0.003 0.000 0.211 135 L C 2.336 179.264 176.870 0.096 0.000 1.099 135 L CA 0.489 55.390 54.840 0.101 0.000 0.816 135 L CB -0.488 41.707 42.059 0.227 0.000 0.952 135 L HN -0.058 nan 8.230 nan 0.000 0.455 136 K N 0.559 121.032 120.400 0.122 0.000 2.026 136 K HA -0.232 4.086 4.320 -0.003 0.000 0.208 136 K C 2.111 178.767 176.600 0.094 0.000 1.048 136 K CA 1.397 57.823 56.287 0.232 0.000 0.929 136 K CB -0.056 32.740 32.500 0.493 0.000 0.713 136 K HN 0.007 nan 8.250 nan 0.000 0.439 137 K N 0.201 120.414 120.400 -0.313 0.000 2.160 137 K HA -0.218 4.100 4.320 -0.003 0.000 0.206 137 K C 2.015 178.489 176.600 -0.210 0.000 1.047 137 K CA 1.317 57.225 56.287 -0.633 0.000 0.930 137 K CB -0.275 31.836 32.500 -0.648 0.000 0.720 137 K HN 0.148 nan 8.250 nan 0.000 0.450 138 Y N 0.783 120.880 120.300 -0.340 0.000 2.092 138 Y HA -0.175 4.373 4.550 -0.003 0.000 0.282 138 Y C 1.603 177.347 175.900 -0.260 0.000 1.126 138 Y CA 1.653 59.524 58.100 -0.381 0.000 1.111 138 Y CB -0.582 37.553 38.460 -0.541 0.000 0.987 138 Y HN -0.047 nan 8.280 nan 0.000 0.489 139 L N -0.740 120.333 121.223 -0.249 0.000 1.991 139 L HA -0.342 3.996 4.340 -0.003 0.000 0.221 139 L C 2.434 179.175 176.870 -0.214 0.000 1.079 139 L CA 2.114 56.766 54.840 -0.313 0.000 0.778 139 L CB -1.242 40.759 42.059 -0.096 0.000 0.893 139 L HN 0.403 nan 8.230 nan 0.000 0.437 140 Y N 1.280 121.501 120.300 -0.132 0.000 1.938 140 Y HA -0.381 4.168 4.550 -0.003 0.000 0.253 140 Y C 2.680 178.510 175.900 -0.116 0.000 1.163 140 Y CA 2.198 60.281 58.100 -0.028 0.000 1.086 140 Y CB -0.580 37.977 38.460 0.161 0.000 0.928 140 Y HN 0.208 nan 8.280 nan 0.000 0.493 141 E N 0.049 119.976 120.200 -0.455 0.000 2.058 141 E HA -0.207 4.141 4.350 -0.003 0.000 0.194 141 E C 2.363 178.731 176.600 -0.387 0.000 0.997 141 E CA 1.565 57.650 56.400 -0.525 0.000 0.801 141 E CB -0.486 29.029 29.700 -0.310 0.000 0.746 141 E HN 0.494 nan 8.360 nan 0.000 0.450 142 I N 1.436 121.737 120.570 -0.448 0.000 2.194 142 I HA -0.260 3.908 4.170 -0.003 0.000 0.246 142 I C 2.471 178.444 176.117 -0.241 0.000 1.093 142 I CA 1.341 62.401 61.300 -0.401 0.000 1.355 142 I CB -1.490 36.001 38.000 -0.849 0.000 1.046 142 I HN -0.010 nan 8.210 nan 0.000 0.413 143 A N 1.362 123.985 122.820 -0.328 0.000 1.897 143 A HA -0.189 4.130 4.320 -0.003 0.000 0.215 143 A C 2.438 179.926 177.584 -0.161 0.000 1.181 143 A CA 1.470 53.378 52.037 -0.214 0.000 0.620 143 A CB -0.574 18.295 19.000 -0.219 0.000 0.821 143 A HN 0.527 nan 8.150 nan 0.000 0.443 144 R N -0.580 119.771 120.500 -0.248 0.000 2.148 144 R HA -0.028 4.310 4.340 -0.003 0.000 0.227 144 R C 1.883 178.074 176.300 -0.181 0.000 1.103 144 R CA 1.474 57.448 56.100 -0.210 0.000 0.983 144 R CB -0.356 29.739 30.300 -0.341 0.000 0.874 144 R HN 0.423 nan 8.270 nan 0.000 0.451 145 R N -0.282 120.086 120.500 -0.219 0.000 2.200 145 R HA 0.090 4.428 4.340 -0.003 0.000 0.208 145 R C 0.168 176.209 176.300 -0.432 0.000 1.033 145 R CA 0.578 56.494 56.100 -0.307 0.000 1.000 145 R CB 0.253 30.342 30.300 -0.350 0.000 0.906 145 R HN 0.392 nan 8.270 nan 0.000 0.462 146 H N 0.588 119.652 119.070 -0.011 0.000 2.348 146 H HA 0.159 4.713 4.556 -0.003 0.000 0.232 146 H C -1.937 173.447 175.328 0.092 0.000 1.419 146 H CA -1.796 54.313 56.048 0.102 0.000 1.416 146 H CB 1.323 31.239 29.762 0.256 0.000 1.510 146 H HN 0.036 nan 8.280 nan 0.000 0.507 147 P HA -0.189 nan 4.420 nan 0.000 0.225 147 P C 0.209 177.357 177.300 -0.252 0.000 1.141 147 P CA 1.303 64.338 63.100 -0.109 0.000 0.774 147 P CB 0.036 31.616 31.700 -0.200 0.000 0.760 148 Y N -3.080 117.287 120.300 0.113 0.000 2.612 148 Y HA 0.313 4.861 4.550 -0.003 0.000 0.250 148 Y C 0.956 176.928 175.900 0.120 0.000 1.175 148 Y CA -1.052 57.100 58.100 0.087 0.000 1.205 148 Y CB -0.389 38.094 38.460 0.038 0.000 1.201 148 Y HN -0.241 nan 8.280 nan 0.000 0.532 149 F N 1.118 121.136 119.950 0.112 0.000 2.608 149 F HA -0.082 4.443 4.527 -0.003 0.000 0.380 149 F C 0.497 176.365 175.800 0.114 0.000 1.083 149 F CA -0.513 57.519 58.000 0.054 0.000 1.266 149 F CB 0.199 39.160 39.000 -0.065 0.000 1.076 149 F HN 0.060 nan 8.300 nan 0.000 0.574 150 Y N 6.620 127.038 120.300 0.197 0.000 2.697 150 Y HA 0.212 4.760 4.550 -0.003 0.000 0.349 150 Y C 1.049 177.067 175.900 0.197 0.000 1.120 150 Y CA -0.734 57.463 58.100 0.162 0.000 1.468 150 Y CB 0.077 38.611 38.460 0.122 0.000 1.182 150 Y HN 0.743 nan 8.280 nan 0.000 0.525 151 A N 7.833 130.743 122.820 0.150 0.000 1.884 151 A HA -0.214 4.104 4.320 -0.003 0.000 0.219 151 A C -0.317 177.189 177.584 -0.129 0.000 1.197 151 A CA 2.011 54.035 52.037 -0.022 0.000 0.637 151 A CB -1.753 17.221 19.000 -0.044 0.000 0.827 151 A HN 0.646 nan 8.150 nan 0.000 0.450 152 P HA -0.158 nan 4.420 nan 0.000 0.215 152 P C 1.427 178.640 177.300 -0.146 0.000 1.157 152 P CA 1.369 64.296 63.100 -0.290 0.000 0.874 152 P CB -0.033 31.358 31.700 -0.516 0.000 0.790 153 E N -0.821 119.266 120.200 -0.189 0.000 2.110 153 E HA -0.148 4.200 4.350 -0.003 0.000 0.193 153 E C 1.868 178.657 176.600 0.315 0.000 0.988 153 E CA 0.788 57.297 56.400 0.180 0.000 0.804 153 E CB -0.933 28.945 29.700 0.297 0.000 0.745 153 E HN 0.105 nan 8.360 nan 0.000 0.458 154 L N 0.912 122.205 121.223 0.116 0.000 2.083 154 L HA -0.133 4.205 4.340 -0.003 0.000 0.209 154 L C 2.214 179.120 176.870 0.061 0.000 1.083 154 L CA 1.329 56.109 54.840 -0.100 0.000 0.752 154 L CB -0.725 41.128 42.059 -0.343 0.000 0.899 154 L HN 0.118 nan 8.230 nan 0.000 0.433 155 L N -2.043 119.229 121.223 0.083 0.000 2.191 155 L HA -0.236 4.102 4.340 -0.003 0.000 0.212 155 L C 2.409 179.416 176.870 0.228 0.000 1.103 155 L CA 1.083 55.991 54.840 0.114 0.000 0.769 155 L CB -0.685 41.416 42.059 0.071 0.000 0.908 155 L HN 0.282 nan 8.230 nan 0.000 0.438 156 F N 0.559 120.601 119.950 0.154 0.000 2.098 156 F HA -0.159 4.366 4.527 -0.003 0.000 0.294 156 F C 2.201 178.118 175.800 0.196 0.000 1.107 156 F CA 1.186 59.279 58.000 0.156 0.000 1.234 156 F CB -0.419 38.676 39.000 0.158 0.000 1.002 156 F HN -0.141 nan 8.300 nan 0.000 0.472 157 F N 0.990 120.947 119.950 0.011 0.000 2.126 157 F HA -0.161 4.365 4.527 -0.003 0.000 0.299 157 F C 2.669 178.488 175.800 0.033 0.000 1.096 157 F CA 1.222 59.193 58.000 -0.048 0.000 1.255 157 F CB -1.652 37.407 39.000 0.097 0.000 0.997 157 F HN 0.096 nan 8.300 nan 0.000 0.479 158 A N -0.348 122.659 122.820 0.312 0.000 1.917 158 A HA -0.288 4.030 4.320 -0.003 0.000 0.219 158 A C 2.312 179.993 177.584 0.163 0.000 1.182 158 A CA 2.136 54.350 52.037 0.295 0.000 0.633 158 A CB -0.811 18.319 19.000 0.217 0.000 0.819 158 A HN 0.359 nan 8.150 nan 0.000 0.448 159 K N -0.903 119.521 120.400 0.040 0.000 2.057 159 K HA -0.104 4.215 4.320 -0.003 0.000 0.207 159 K C 2.377 178.919 176.600 -0.097 0.000 1.049 159 K CA 1.356 57.629 56.287 -0.025 0.000 0.931 159 K CB -0.135 32.324 32.500 -0.069 0.000 0.714 159 K HN 0.425 nan 8.250 nan 0.000 0.440 160 R N -0.885 119.466 120.500 -0.249 0.000 2.115 160 R HA -0.139 4.200 4.340 -0.003 0.000 0.226 160 R C 2.172 178.403 176.300 -0.116 0.000 1.100 160 R CA 1.198 57.131 56.100 -0.279 0.000 0.980 160 R CB -0.301 29.683 30.300 -0.526 0.000 0.875 160 R HN 0.314 nan 8.270 nan 0.000 0.445 161 Y N 2.087 122.281 120.300 -0.177 0.000 2.439 161 Y HA -0.115 4.434 4.550 -0.003 0.000 0.292 161 Y C 2.266 178.150 175.900 -0.027 0.000 1.130 161 Y CA 1.180 59.181 58.100 -0.165 0.000 1.254 161 Y CB 0.047 38.252 38.460 -0.423 0.000 1.000 161 Y HN -0.139 nan 8.280 nan 0.000 0.554 162 K N -0.075 120.323 120.400 -0.003 0.000 2.067 162 K HA -0.020 4.298 4.320 -0.003 0.000 0.203 162 K C 2.222 178.777 176.600 -0.074 0.000 1.048 162 K CA 0.966 57.251 56.287 -0.003 0.000 0.954 162 K CB -0.312 32.265 32.500 0.129 0.000 0.737 162 K HN 0.258 nan 8.250 nan 0.000 0.444 163 A N 1.225 124.006 122.820 -0.065 0.000 2.019 163 A HA -0.060 4.258 4.320 -0.003 0.000 0.219 163 A C 2.264 179.752 177.584 -0.161 0.000 1.164 163 A CA 1.663 53.654 52.037 -0.077 0.000 0.644 163 A CB -0.640 18.319 19.000 -0.069 0.000 0.805 163 A HN 0.494 nan 8.150 nan 0.000 0.449 164 A N -0.762 121.916 122.820 -0.238 0.000 1.883 164 A HA -0.042 4.276 4.320 -0.003 0.000 0.217 164 A C 1.949 179.232 177.584 -0.501 0.000 1.186 164 A CA 1.596 53.415 52.037 -0.363 0.000 0.624 164 A CB -0.774 17.955 19.000 -0.451 0.000 0.822 164 A HN 0.477 nan 8.150 nan 0.000 0.444 165 F N 0.386 119.949 119.950 -0.644 0.000 2.146 165 F HA -0.114 4.412 4.527 -0.003 0.000 0.298 165 F C 2.792 178.181 175.800 -0.685 0.000 1.096 165 F CA 1.770 59.216 58.000 -0.922 0.000 1.275 165 F CB -0.851 37.065 39.000 -1.806 0.000 1.008 165 F HN 0.132 nan 8.300 nan 0.000 0.480 166 T N -0.438 113.959 114.554 -0.263 0.000 2.569 166 T HA -0.266 4.082 4.350 -0.003 0.000 0.263 166 T C 1.838 176.556 174.700 0.029 0.000 1.074 166 T CA 1.746 63.900 62.100 0.090 0.000 1.176 166 T CB -0.446 68.515 68.868 0.155 0.000 0.863 166 T HN 0.354 nan 8.240 nan 0.000 0.410 167 E N 0.088 120.263 120.200 -0.042 0.000 2.013 167 E HA -0.207 4.142 4.350 -0.003 0.000 0.202 167 E C 2.383 178.940 176.600 -0.072 0.000 1.018 167 E CA 1.900 58.271 56.400 -0.049 0.000 0.834 167 E CB -0.477 29.178 29.700 -0.074 0.000 0.770 167 E HN 0.480 nan 8.360 nan 0.000 0.459 168 c N 0.556 119.065 118.600 -0.151 0.000 2.398 168 c HA -0.174 4.394 4.570 -0.003 0.000 0.282 168 c C 2.780 176.805 174.090 -0.109 0.000 1.275 168 c CA 0.698 56.928 56.329 -0.165 0.000 1.797 168 c CB -1.246 41.095 42.510 -0.281 0.000 1.991 168 c HN 0.637 nan 8.230 nan 0.000 0.505 169 c N -0.254 118.310 118.600 -0.059 0.000 2.539 169 c HA -0.018 4.550 4.570 -0.003 0.000 0.268 169 c C 2.594 176.747 174.090 0.105 0.000 1.395 169 c CA 0.502 56.863 56.329 0.054 0.000 1.757 169 c CB -1.143 41.469 42.510 0.170 0.000 1.851 169 c HN 0.635 nan 8.230 nan 0.000 0.545 170 Q N 0.965 120.804 119.800 0.066 0.000 2.349 170 Q HA 0.230 4.568 4.340 -0.003 0.000 0.209 170 Q C 1.374 177.380 176.000 0.010 0.000 0.920 170 Q CA 0.374 56.202 55.803 0.042 0.000 0.901 170 Q CB -0.374 28.386 28.738 0.038 0.000 1.021 170 Q HN 0.623 nan 8.270 nan 0.000 0.519 171 A N 1.084 123.899 122.820 -0.007 0.000 2.583 171 A HA 0.183 4.501 4.320 -0.003 0.000 0.231 171 A C 1.389 178.963 177.584 -0.017 0.000 1.065 171 A CA 0.793 52.818 52.037 -0.020 0.000 0.760 171 A CB 0.174 19.150 19.000 -0.040 0.000 1.001 171 A HN 0.346 nan 8.150 nan 0.000 0.509 172 A N 0.607 123.416 122.820 -0.018 0.000 1.855 172 A HA -0.024 4.295 4.320 -0.003 0.000 0.215 172 A C 1.139 178.713 177.584 -0.018 0.000 1.191 172 A CA 1.799 53.827 52.037 -0.015 0.000 0.613 172 A CB -0.200 18.792 19.000 -0.014 0.000 0.829 172 A HN 0.793 nan 8.150 nan 0.000 0.442 173 D N -0.664 119.721 120.400 -0.024 0.000 2.493 173 D HA 0.318 4.956 4.640 -0.003 0.000 0.235 173 D C 0.620 176.895 176.300 -0.040 0.000 1.117 173 D CA -0.161 53.823 54.000 -0.027 0.000 0.930 173 D CB 0.663 41.447 40.800 -0.027 0.000 1.010 173 D HN 0.300 nan 8.370 nan 0.000 0.514 174 K N 1.473 121.849 120.400 -0.040 0.000 1.969 174 K HA -0.157 4.162 4.320 -0.003 0.000 0.216 174 K C 2.018 178.570 176.600 -0.080 0.000 1.048 174 K CA 1.499 57.749 56.287 -0.061 0.000 0.948 174 K CB -0.113 32.361 32.500 -0.043 0.000 0.726 174 K HN 0.327 nan 8.250 nan 0.000 0.442 175 A N 1.408 124.191 122.820 -0.060 0.000 2.009 175 A HA -0.260 4.058 4.320 -0.003 0.000 0.222 175 A C 2.306 179.849 177.584 -0.068 0.000 1.175 175 A CA 2.299 54.299 52.037 -0.062 0.000 0.651 175 A CB -0.860 18.119 19.000 -0.036 0.000 0.815 175 A HN 0.443 nan 8.150 nan 0.000 0.459 176 A N -2.061 120.724 122.820 -0.059 0.000 2.072 176 A HA 0.031 4.349 4.320 -0.003 0.000 0.216 176 A C 2.245 179.788 177.584 -0.069 0.000 1.156 176 A CA 1.226 53.231 52.037 -0.054 0.000 0.701 176 A CB -1.033 17.944 19.000 -0.039 0.000 0.816 176 A HN 0.785 nan 8.150 nan 0.000 0.458 177 c N -1.226 117.322 118.600 -0.087 0.000 2.500 177 c HA 0.097 4.665 4.570 -0.003 0.000 0.279 177 c C 2.355 176.357 174.090 -0.147 0.000 1.288 177 c CA 1.240 57.506 56.329 -0.105 0.000 1.710 177 c CB -1.100 41.344 42.510 -0.111 0.000 2.052 177 c HN 0.539 nan 8.230 nan 0.000 0.488 178 L N 0.814 121.923 121.223 -0.190 0.000 2.013 178 L HA 0.116 4.454 4.340 -0.003 0.000 0.204 178 L C 2.439 179.178 176.870 -0.217 0.000 1.081 178 L CA 1.752 56.423 54.840 -0.280 0.000 0.751 178 L CB -1.096 40.737 42.059 -0.377 0.000 0.901 178 L HN 0.368 nan 8.230 nan 0.000 0.440 179 L N 0.398 121.529 121.223 -0.153 0.000 2.058 179 L HA -0.277 4.061 4.340 -0.003 0.000 0.226 179 L C -0.261 176.566 176.870 -0.072 0.000 1.089 179 L CA 2.397 57.181 54.840 -0.094 0.000 0.799 179 L CB -2.290 39.735 42.059 -0.056 0.000 0.900 179 L HN 0.339 nan 8.230 nan 0.000 0.442 180 P HA -0.154 nan 4.420 nan 0.000 0.222 180 P C 1.218 178.487 177.300 -0.052 0.000 1.147 180 P CA 1.446 64.518 63.100 -0.047 0.000 0.790 180 P CB 0.071 31.744 31.700 -0.044 0.000 0.780 181 K N -0.290 120.055 120.400 -0.092 0.000 2.067 181 K HA 0.078 4.396 4.320 -0.003 0.000 0.203 181 K C 2.244 178.805 176.600 -0.065 0.000 1.048 181 K CA 0.745 56.970 56.287 -0.103 0.000 0.954 181 K CB -0.543 31.852 32.500 -0.176 0.000 0.737 181 K HN 0.063 nan 8.250 nan 0.000 0.444 182 L N 1.005 122.183 121.223 -0.075 0.000 2.201 182 L HA -0.175 4.163 4.340 -0.003 0.000 0.212 182 L C 1.690 178.597 176.870 0.061 0.000 1.105 182 L CA 0.877 55.731 54.840 0.023 0.000 0.775 182 L CB -0.230 41.840 42.059 0.018 0.000 0.913 182 L HN 0.234 nan 8.230 nan 0.000 0.440 183 D N -0.322 120.094 120.400 0.026 0.000 2.277 183 D HA -0.154 4.485 4.640 -0.003 0.000 0.208 183 D C 1.970 178.304 176.300 0.056 0.000 0.962 183 D CA 0.804 54.831 54.000 0.045 0.000 0.865 183 D CB 0.416 41.232 40.800 0.026 0.000 0.939 183 D HN 0.421 nan 8.370 nan 0.000 0.510 184 E N 0.097 120.320 120.200 0.039 0.000 2.122 184 E HA -0.006 4.342 4.350 -0.003 0.000 0.190 184 E C 2.335 178.982 176.600 0.078 0.000 0.977 184 E CA 0.019 56.445 56.400 0.044 0.000 0.820 184 E CB 0.265 29.970 29.700 0.007 0.000 0.770 184 E HN 0.172 nan 8.360 nan 0.000 0.462 185 L N 0.871 122.145 121.223 0.085 0.000 2.056 185 L HA -0.131 4.207 4.340 -0.003 0.000 0.207 185 L C 2.896 179.933 176.870 0.278 0.000 1.078 185 L CA 0.785 55.723 54.840 0.163 0.000 0.749 185 L CB -0.418 41.739 42.059 0.165 0.000 0.901 185 L HN 0.125 nan 8.230 nan 0.000 0.433 186 R N 0.485 121.110 120.500 0.209 0.000 2.083 186 R HA -0.223 4.115 4.340 -0.003 0.000 0.237 186 R C 1.796 178.206 176.300 0.183 0.000 1.137 186 R CA 1.997 58.215 56.100 0.196 0.000 0.951 186 R CB -0.709 29.682 30.300 0.152 0.000 0.851 186 R HN 0.392 nan 8.270 nan 0.000 0.434 187 D N 0.190 120.684 120.400 0.157 0.000 2.144 187 D HA -0.176 4.463 4.640 -0.003 0.000 0.199 187 D C 1.442 177.845 176.300 0.172 0.000 0.984 187 D CA 1.029 55.113 54.000 0.140 0.000 0.834 187 D CB 0.139 41.004 40.800 0.108 0.000 0.955 187 D HN 0.435 nan 8.370 nan 0.000 0.465 188 E N -0.628 119.712 120.200 0.233 0.000 2.442 188 E HA -0.005 4.343 4.350 -0.003 0.000 0.195 188 E C 1.824 178.708 176.600 0.474 0.000 1.030 188 E CA 0.352 56.940 56.400 0.313 0.000 0.869 188 E CB 0.214 30.083 29.700 0.282 0.000 0.857 188 E HN 0.219 nan 8.360 nan 0.000 0.505 189 G N 1.194 110.271 108.800 0.462 0.000 2.395 189 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.214 189 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.214 189 G C 1.477 176.401 174.900 0.040 0.000 1.177 189 G CA 0.242 45.518 45.100 0.293 0.000 0.794 189 G HN 0.094 nan 8.290 nan 0.000 0.532 190 K N 0.659 121.091 120.400 0.054 0.000 2.074 190 K HA -0.066 4.252 4.320 -0.003 0.000 0.209 190 K C 2.852 179.439 176.600 -0.021 0.000 1.048 190 K CA 1.192 57.480 56.287 0.002 0.000 0.926 190 K CB -0.216 32.339 32.500 0.092 0.000 0.713 190 K HN 0.271 nan 8.250 nan 0.000 0.444 191 A N 0.712 123.559 122.820 0.044 0.000 1.969 191 A HA -0.151 4.168 4.320 -0.003 0.000 0.218 191 A C 2.196 179.766 177.584 -0.023 0.000 1.169 191 A CA 1.871 53.942 52.037 0.056 0.000 0.635 191 A CB -0.483 18.595 19.000 0.129 0.000 0.810 191 A HN 0.291 nan 8.150 nan 0.000 0.445 192 S N -0.664 114.984 115.700 -0.086 0.000 2.345 192 S HA -0.151 4.317 4.470 -0.003 0.000 0.220 192 S C 2.335 176.636 174.600 -0.498 0.000 1.031 192 S CA 1.886 59.947 58.200 -0.232 0.000 0.996 192 S CB -0.604 62.403 63.200 -0.322 0.000 0.882 192 S HN 0.617 nan 8.310 nan 0.000 0.445 193 S N 1.199 116.446 115.700 -0.755 0.000 2.389 193 S HA -0.201 4.268 4.470 -0.003 0.000 0.229 193 S C 2.136 176.558 174.600 -0.297 0.000 1.048 193 S CA 2.104 59.890 58.200 -0.690 0.000 1.117 193 S CB -1.211 61.730 63.200 -0.431 0.000 1.020 193 S HN 0.784 nan 8.310 nan 0.000 0.430 194 A N 1.185 123.898 122.820 -0.178 0.000 1.873 194 A HA -0.188 4.130 4.320 -0.003 0.000 0.218 194 A C 2.165 179.655 177.584 -0.156 0.000 1.193 194 A CA 2.087 54.049 52.037 -0.124 0.000 0.629 194 A CB -0.871 18.075 19.000 -0.090 0.000 0.826 194 A HN 0.669 nan 8.150 nan 0.000 0.447 195 K N -1.304 119.007 120.400 -0.148 0.000 2.044 195 K HA -0.272 4.046 4.320 -0.003 0.000 0.210 195 K C 2.448 178.924 176.600 -0.207 0.000 1.049 195 K CA 1.997 58.195 56.287 -0.148 0.000 0.927 195 K CB -0.161 32.289 32.500 -0.082 0.000 0.713 195 K HN 0.534 nan 8.250 nan 0.000 0.443 196 Q N 0.889 120.561 119.800 -0.213 0.000 2.084 196 Q HA -0.171 4.167 4.340 -0.003 0.000 0.202 196 Q C 1.928 177.816 176.000 -0.186 0.000 0.978 196 Q CA 1.540 57.218 55.803 -0.208 0.000 0.844 196 Q CB -0.142 28.505 28.738 -0.152 0.000 0.898 196 Q HN 0.044 nan 8.270 nan 0.000 0.426 197 R N -0.090 120.307 120.500 -0.171 0.000 2.119 197 R HA -0.172 4.166 4.340 -0.003 0.000 0.246 197 R C 2.024 178.173 176.300 -0.252 0.000 1.146 197 R CA 1.651 57.609 56.100 -0.236 0.000 0.962 197 R CB -0.976 29.200 30.300 -0.206 0.000 0.863 197 R HN 0.446 nan 8.270 nan 0.000 0.442 198 L N 0.351 121.434 121.223 -0.233 0.000 2.141 198 L HA -0.074 4.264 4.340 -0.003 0.000 0.209 198 L C 1.744 178.454 176.870 -0.266 0.000 1.094 198 L CA 1.814 56.509 54.840 -0.241 0.000 0.763 198 L CB -0.210 41.693 42.059 -0.260 0.000 0.908 198 L HN 0.102 nan 8.230 nan 0.000 0.437 199 K N -1.426 118.797 120.400 -0.296 0.000 2.057 199 K HA -0.117 4.201 4.320 -0.003 0.000 0.206 199 K C 2.105 178.572 176.600 -0.222 0.000 1.050 199 K CA 1.573 57.693 56.287 -0.278 0.000 0.935 199 K CB -0.363 31.911 32.500 -0.377 0.000 0.715 199 K HN 0.436 nan 8.250 nan 0.000 0.439 200 c N 0.538 119.025 118.600 -0.189 0.000 2.453 200 c HA -0.055 4.513 4.570 -0.003 0.000 0.277 200 c C 2.850 176.867 174.090 -0.121 0.000 1.262 200 c CA 0.710 56.960 56.329 -0.131 0.000 1.718 200 c CB -0.938 41.521 42.510 -0.084 0.000 2.031 200 c HN 0.548 nan 8.230 nan 0.000 0.480 201 A N 1.007 123.736 122.820 -0.152 0.000 1.903 201 A HA -0.234 4.084 4.320 -0.003 0.000 0.219 201 A C 2.215 179.841 177.584 0.071 0.000 1.191 201 A CA 2.623 54.620 52.037 -0.067 0.000 0.638 201 A CB -1.055 17.911 19.000 -0.056 0.000 0.823 201 A HN 0.580 nan 8.150 nan 0.000 0.451 202 S N -0.123 115.614 115.700 0.062 0.000 2.414 202 S HA -0.223 4.245 4.470 -0.003 0.000 0.225 202 S C 1.852 176.556 174.600 0.173 0.000 1.041 202 S CA 1.675 59.977 58.200 0.171 0.000 1.114 202 S CB -0.796 62.480 63.200 0.127 0.000 1.064 202 S HN 0.485 nan 8.310 nan 0.000 0.420 203 L N 1.348 122.594 121.223 0.038 0.000 1.965 203 L HA -0.322 4.016 4.340 -0.003 0.000 0.226 203 L C 2.896 179.772 176.870 0.010 0.000 1.083 203 L CA 1.917 56.748 54.840 -0.017 0.000 0.790 203 L CB -0.745 41.228 42.059 -0.144 0.000 0.898 203 L HN 0.443 nan 8.230 nan 0.000 0.439 204 Q N -0.774 119.019 119.800 -0.011 0.000 2.084 204 Q HA -0.176 4.163 4.340 -0.003 0.000 0.202 204 Q C 2.103 178.054 176.000 -0.082 0.000 0.978 204 Q CA 1.128 56.917 55.803 -0.024 0.000 0.844 204 Q CB -0.042 28.694 28.738 -0.003 0.000 0.898 204 Q HN 0.375 nan 8.270 nan 0.000 0.426 205 K N -0.496 119.814 120.400 -0.149 0.000 2.284 205 K HA 0.062 4.380 4.320 -0.003 0.000 0.198 205 K C 1.280 177.490 176.600 -0.651 0.000 1.048 205 K CA 0.759 56.793 56.287 -0.422 0.000 0.987 205 K CB 0.331 32.466 32.500 -0.610 0.000 0.800 205 K HN 0.180 nan 8.250 nan 0.000 0.486 206 F N 0.180 120.128 119.950 -0.003 0.000 2.724 206 F HA 0.301 4.827 4.527 -0.003 0.000 0.306 206 F C 1.012 176.828 175.800 0.027 0.000 1.100 206 F CA 0.203 58.210 58.000 0.011 0.000 1.255 206 F CB 0.566 39.574 39.000 0.013 0.000 1.072 206 F HN 0.098 nan 8.300 nan 0.000 0.589 207 G N 1.304 110.192 108.800 0.145 0.000 2.746 207 G HA2 -0.260 3.699 3.960 -0.003 0.000 0.685 207 G HA3 -0.260 3.699 3.960 -0.003 0.000 0.685 207 G C 0.679 175.669 174.900 0.149 0.000 1.350 207 G CA -0.048 45.119 45.100 0.111 0.000 0.837 207 G HN 0.409 nan 8.290 nan 0.000 0.564 208 E N 0.227 120.498 120.200 0.118 0.000 2.085 208 E HA -0.244 4.104 4.350 -0.003 0.000 0.194 208 E C 2.279 179.002 176.600 0.205 0.000 0.994 208 E CA 1.543 58.039 56.400 0.160 0.000 0.801 208 E CB -0.114 29.651 29.700 0.109 0.000 0.743 208 E HN 0.659 nan 8.360 nan 0.000 0.453 209 R N 0.456 121.050 120.500 0.156 0.000 2.103 209 R HA -0.205 4.134 4.340 -0.003 0.000 0.242 209 R C 2.329 178.724 176.300 0.158 0.000 1.142 209 R CA 1.642 57.829 56.100 0.145 0.000 0.960 209 R CB -0.456 29.916 30.300 0.120 0.000 0.858 209 R HN 0.331 nan 8.270 nan 0.000 0.439 210 A N 0.451 123.376 122.820 0.175 0.000 1.845 210 A HA -0.212 4.106 4.320 -0.003 0.000 0.215 210 A C 2.024 179.723 177.584 0.191 0.000 1.195 210 A CA 1.471 53.604 52.037 0.160 0.000 0.616 210 A CB -0.944 18.166 19.000 0.184 0.000 0.832 210 A HN 0.524 nan 8.150 nan 0.000 0.443 211 F N 0.955 120.958 119.950 0.088 0.000 2.095 211 F HA -0.194 4.331 4.527 -0.003 0.000 0.298 211 F C 2.205 178.108 175.800 0.172 0.000 1.104 211 F CA 2.280 60.340 58.000 0.100 0.000 1.232 211 F CB -0.215 38.817 39.000 0.054 0.000 0.987 211 F HN 0.152 nan 8.300 nan 0.000 0.475 212 K N 0.146 120.673 120.400 0.212 0.000 2.113 212 K HA -0.194 4.124 4.320 -0.003 0.000 0.208 212 K C 2.273 178.877 176.600 0.008 0.000 1.047 212 K CA 1.315 57.654 56.287 0.088 0.000 0.928 212 K CB -0.633 31.950 32.500 0.139 0.000 0.716 212 K HN 0.379 nan 8.250 nan 0.000 0.446 213 A N 0.632 123.482 122.820 0.050 0.000 1.972 213 A HA -0.186 4.132 4.320 -0.003 0.000 0.219 213 A C 1.899 179.469 177.584 -0.025 0.000 1.169 213 A CA 1.190 53.245 52.037 0.030 0.000 0.635 213 A CB -0.711 18.321 19.000 0.053 0.000 0.810 213 A HN 0.589 nan 8.150 nan 0.000 0.446 214 W N 0.434 121.601 121.300 -0.222 0.000 2.413 214 W HA -0.026 4.632 4.660 -0.003 0.000 0.315 214 W C 2.495 178.813 176.519 -0.334 0.000 1.186 214 W CA 2.102 59.276 57.345 -0.285 0.000 1.326 214 W CB -0.337 28.906 29.460 -0.360 0.000 1.153 214 W HN 0.308 nan 8.180 nan 0.000 0.489 215 A N -0.061 122.581 122.820 -0.297 0.000 1.978 215 A HA -0.194 4.124 4.320 -0.003 0.000 0.220 215 A C 1.988 179.369 177.584 -0.339 0.000 1.170 215 A CA 2.265 54.062 52.037 -0.399 0.000 0.636 215 A CB -1.230 17.596 19.000 -0.290 0.000 0.810 215 A HN 0.239 nan 8.150 nan 0.000 0.448 216 V N -0.367 119.415 119.914 -0.220 0.000 2.229 216 V HA -0.229 3.889 4.120 -0.003 0.000 0.243 216 V C 3.080 179.073 176.094 -0.170 0.000 1.042 216 V CA 2.033 64.257 62.300 -0.126 0.000 1.000 216 V CB -1.235 30.584 31.823 -0.007 0.000 0.637 216 V HN 0.615 nan 8.190 nan 0.000 0.446 217 A N -0.208 122.479 122.820 -0.221 0.000 1.986 217 A HA -0.295 4.023 4.320 -0.003 0.000 0.220 217 A C 2.251 179.600 177.584 -0.392 0.000 1.171 217 A CA 2.429 54.312 52.037 -0.256 0.000 0.640 217 A CB -0.535 18.307 19.000 -0.264 0.000 0.811 217 A HN 0.470 nan 8.150 nan 0.000 0.451 218 R N -0.061 120.050 120.500 -0.648 0.000 2.055 218 R HA 0.104 4.442 4.340 -0.003 0.000 0.226 218 R C 1.991 177.966 176.300 -0.542 0.000 1.135 218 R CA 1.401 57.058 56.100 -0.738 0.000 0.959 218 R CB -0.783 28.733 30.300 -1.306 0.000 0.854 218 R HN 0.482 nan 8.270 nan 0.000 0.431 219 L N 0.134 121.062 121.223 -0.493 0.000 2.012 219 L HA -0.182 4.157 4.340 -0.003 0.000 0.210 219 L C 2.210 178.840 176.870 -0.400 0.000 1.073 219 L CA 1.887 56.413 54.840 -0.524 0.000 0.748 219 L CB -0.722 41.154 42.059 -0.304 0.000 0.891 219 L HN 0.231 nan 8.230 nan 0.000 0.431 220 S N -0.651 114.953 115.700 -0.160 0.000 2.402 220 S HA -0.255 4.214 4.470 -0.003 0.000 0.233 220 S C 1.911 176.461 174.600 -0.083 0.000 1.030 220 S CA 1.333 59.544 58.200 0.018 0.000 1.003 220 S CB -0.206 63.080 63.200 0.143 0.000 0.813 220 S HN 0.474 nan 8.310 nan 0.000 0.477 221 Q N 0.073 119.762 119.800 -0.186 0.000 2.137 221 Q HA 0.088 4.426 4.340 -0.003 0.000 0.198 221 Q C 2.411 178.314 176.000 -0.162 0.000 0.960 221 Q CA 0.615 56.316 55.803 -0.170 0.000 0.847 221 Q CB -0.032 28.594 28.738 -0.186 0.000 0.915 221 Q HN 0.387 nan 8.270 nan 0.000 0.448 222 R N -0.385 119.951 120.500 -0.273 0.000 2.119 222 R HA -0.029 4.310 4.340 -0.003 0.000 0.222 222 R C -0.149 176.151 176.300 0.000 0.000 1.088 222 R CA 0.713 56.646 56.100 -0.278 0.000 0.984 222 R CB 0.439 30.395 30.300 -0.573 0.000 0.884 222 R HN 0.067 nan 8.270 nan 0.000 0.447 223 F N 0.995 120.931 119.950 -0.023 0.000 2.530 223 F HA 0.370 4.896 4.527 -0.003 0.000 0.318 223 F C -1.827 173.989 175.800 0.026 0.000 1.356 223 F CA -3.468 54.533 58.000 0.002 0.000 1.135 223 F CB 1.376 40.386 39.000 0.018 0.000 1.315 223 F HN -0.054 nan 8.300 nan 0.000 0.549 224 P HA -0.155 nan 4.420 nan 0.000 0.228 224 P C 1.005 178.352 177.300 0.078 0.000 1.151 224 P CA 1.256 64.392 63.100 0.060 0.000 0.770 224 P CB 0.398 32.078 31.700 -0.033 0.000 0.786 225 K N -0.386 120.074 120.400 0.099 0.000 2.262 225 K HA 0.175 4.493 4.320 -0.003 0.000 0.200 225 K C 1.243 177.908 176.600 0.107 0.000 1.049 225 K CA 0.024 56.354 56.287 0.071 0.000 0.979 225 K CB -0.035 32.483 32.500 0.031 0.000 0.773 225 K HN 0.066 nan 8.250 nan 0.000 0.474 226 A N 2.354 125.265 122.820 0.152 0.000 2.498 226 A HA -0.001 4.317 4.320 -0.003 0.000 0.239 226 A C 0.107 177.819 177.584 0.214 0.000 1.068 226 A CA 0.018 52.142 52.037 0.145 0.000 0.766 226 A CB 0.177 19.275 19.000 0.164 0.000 1.003 226 A HN 0.169 nan 8.150 nan 0.000 0.497 227 E N 0.087 120.368 120.200 0.134 0.000 2.391 227 E HA 0.122 4.471 4.350 -0.003 0.000 0.255 227 E C 0.268 176.864 176.600 -0.007 0.000 1.187 227 E CA -0.197 56.287 56.400 0.141 0.000 0.941 227 E CB 0.342 30.096 29.700 0.091 0.000 1.010 227 E HN 0.668 nan 8.360 nan 0.000 0.458 228 F N 1.494 121.270 119.950 -0.291 0.000 2.146 228 F HA -0.089 4.436 4.527 -0.003 0.000 0.298 228 F C 1.994 177.639 175.800 -0.257 0.000 1.096 228 F CA 1.668 59.309 58.000 -0.597 0.000 1.275 228 F CB -0.387 38.331 39.000 -0.471 0.000 1.008 228 F HN 0.547 nan 8.300 nan 0.000 0.480 229 A N -0.372 122.398 122.820 -0.084 0.000 1.940 229 A HA -0.235 4.084 4.320 -0.003 0.000 0.219 229 A C 2.064 179.565 177.584 -0.138 0.000 1.176 229 A CA 2.001 53.975 52.037 -0.105 0.000 0.631 229 A CB -0.787 18.221 19.000 0.014 0.000 0.814 229 A HN 0.453 nan 8.150 nan 0.000 0.446 230 E N -0.238 119.909 120.200 -0.088 0.000 2.005 230 E HA -0.071 4.277 4.350 -0.003 0.000 0.191 230 E C 1.946 178.509 176.600 -0.062 0.000 0.987 230 E CA 1.404 57.794 56.400 -0.017 0.000 0.814 230 E CB -0.583 29.134 29.700 0.028 0.000 0.772 230 E HN 0.170 nan 8.360 nan 0.000 0.453 231 V N 0.644 120.487 119.914 -0.118 0.000 2.439 231 V HA -0.293 3.826 4.120 -0.003 0.000 0.253 231 V C 2.411 178.362 176.094 -0.238 0.000 1.074 231 V CA 2.046 64.275 62.300 -0.117 0.000 1.076 231 V CB -0.678 31.061 31.823 -0.141 0.000 0.664 231 V HN 0.212 nan 8.190 nan 0.000 0.461 232 S N -1.053 114.371 115.700 -0.460 0.000 2.368 232 S HA -0.187 4.281 4.470 -0.003 0.000 0.224 232 S C 2.127 176.597 174.600 -0.217 0.000 1.029 232 S CA 1.431 59.357 58.200 -0.457 0.000 0.988 232 S CB -0.249 62.554 63.200 -0.663 0.000 0.838 232 S HN 0.538 nan 8.310 nan 0.000 0.462 233 K N 1.407 121.709 120.400 -0.164 0.000 2.057 233 K HA 0.007 4.326 4.320 -0.003 0.000 0.206 233 K C 2.024 178.578 176.600 -0.077 0.000 1.050 233 K CA 0.985 57.202 56.287 -0.118 0.000 0.935 233 K CB -0.506 31.914 32.500 -0.132 0.000 0.715 233 K HN 0.348 nan 8.250 nan 0.000 0.439 234 L N 0.945 122.157 121.223 -0.017 0.000 2.012 234 L HA -0.193 4.145 4.340 -0.003 0.000 0.210 234 L C 2.569 179.473 176.870 0.056 0.000 1.073 234 L CA 1.115 55.992 54.840 0.061 0.000 0.748 234 L CB -0.679 41.477 42.059 0.162 0.000 0.891 234 L HN -0.049 nan 8.230 nan 0.000 0.431 235 V N -0.391 119.530 119.914 0.011 0.000 2.469 235 V HA -0.293 3.825 4.120 -0.003 0.000 0.251 235 V C 2.535 178.679 176.094 0.084 0.000 1.064 235 V CA 2.253 64.570 62.300 0.028 0.000 1.066 235 V CB -0.756 31.040 31.823 -0.045 0.000 0.667 235 V HN 0.505 nan 8.190 nan 0.000 0.461 236 T N -0.342 114.235 114.554 0.037 0.000 2.732 236 T HA -0.140 4.209 4.350 -0.003 0.000 0.261 236 T C 1.622 176.369 174.700 0.078 0.000 1.040 236 T CA 1.594 63.725 62.100 0.051 0.000 1.145 236 T CB -0.305 68.561 68.868 -0.003 0.000 0.866 236 T HN 0.564 nan 8.240 nan 0.000 0.427 237 D N 1.087 121.517 120.400 0.050 0.000 2.183 237 D HA -0.011 4.627 4.640 -0.003 0.000 0.203 237 D C 2.062 178.436 176.300 0.123 0.000 0.969 237 D CA 0.453 54.486 54.000 0.056 0.000 0.842 237 D CB -0.315 40.490 40.800 0.008 0.000 0.957 237 D HN 0.197 nan 8.370 nan 0.000 0.484 238 L N 1.238 122.574 121.223 0.189 0.000 2.093 238 L HA -0.103 4.235 4.340 -0.003 0.000 0.208 238 L C 2.115 179.245 176.870 0.433 0.000 1.085 238 L CA 1.627 56.656 54.840 0.315 0.000 0.755 238 L CB -0.828 41.438 42.059 0.345 0.000 0.904 238 L HN -0.106 nan 8.230 nan 0.000 0.435 239 T N -0.864 113.931 114.554 0.402 0.000 2.867 239 T HA -0.208 4.141 4.350 -0.003 0.000 0.268 239 T C 1.899 176.670 174.700 0.119 0.000 1.057 239 T CA 1.626 63.944 62.100 0.363 0.000 1.136 239 T CB -0.141 68.935 68.868 0.348 0.000 0.874 239 T HN 0.311 nan 8.240 nan 0.000 0.466 240 K N 0.705 121.166 120.400 0.101 0.000 2.103 240 K HA -0.014 4.304 4.320 -0.003 0.000 0.204 240 K C 2.175 178.788 176.600 0.023 0.000 1.052 240 K CA 0.636 56.952 56.287 0.047 0.000 0.945 240 K CB -0.184 32.342 32.500 0.043 0.000 0.722 240 K HN 0.101 nan 8.250 nan 0.000 0.443 241 V N 1.122 121.046 119.914 0.016 0.000 2.287 241 V HA -0.260 3.859 4.120 -0.003 0.000 0.248 241 V C 2.101 178.086 176.094 -0.181 0.000 1.053 241 V CA 1.789 64.047 62.300 -0.069 0.000 1.027 241 V CB -0.574 31.194 31.823 -0.091 0.000 0.646 241 V HN 0.446 nan 8.190 nan 0.000 0.447 242 H N -0.935 118.113 119.070 -0.037 0.000 2.529 242 H HA -0.011 4.543 4.556 -0.003 0.000 0.277 242 H C 2.412 177.629 175.328 -0.185 0.000 0.999 242 H CA 1.425 57.361 56.048 -0.186 0.000 1.256 242 H CB -0.064 29.460 29.762 -0.396 0.000 1.402 242 H HN 0.380 nan 8.280 nan 0.000 0.566 243 T N 0.953 115.470 114.554 -0.061 0.000 2.701 243 T HA -0.099 4.249 4.350 -0.003 0.000 0.263 243 T C 1.857 176.602 174.700 0.075 0.000 1.040 243 T CA 1.124 63.208 62.100 -0.027 0.000 1.147 243 T CB 0.086 68.941 68.868 -0.022 0.000 0.865 243 T HN 0.513 nan 8.240 nan 0.000 0.426 244 E N 0.135 120.379 120.200 0.073 0.000 2.077 244 E HA -0.123 4.225 4.350 -0.003 0.000 0.193 244 E C 2.504 179.170 176.600 0.111 0.000 0.989 244 E CA 1.031 57.498 56.400 0.111 0.000 0.800 244 E CB -0.329 29.411 29.700 0.067 0.000 0.746 244 E HN 0.419 nan 8.360 nan 0.000 0.452 245 c N 0.398 119.054 118.600 0.094 0.000 2.466 245 c HA -0.087 4.481 4.570 -0.003 0.000 0.278 245 c C 2.898 177.067 174.090 0.130 0.000 1.288 245 c CA 0.281 56.686 56.329 0.126 0.000 1.722 245 c CB -0.659 41.984 42.510 0.222 0.000 2.017 245 c HN 0.587 nan 8.230 nan 0.000 0.488 246 c N -1.264 117.415 118.600 0.132 0.000 2.468 246 c HA -0.055 4.513 4.570 -0.003 0.000 0.277 246 c C 2.045 176.268 174.090 0.221 0.000 1.400 246 c CA 0.603 57.038 56.329 0.176 0.000 1.770 246 c CB -1.700 40.874 42.510 0.108 0.000 1.905 246 c HN 0.713 nan 8.230 nan 0.000 0.519 247 H N -0.469 118.673 119.070 0.121 0.000 2.488 247 H HA 0.241 4.795 4.556 -0.003 0.000 0.294 247 H C 1.517 176.974 175.328 0.216 0.000 1.088 247 H CA 0.657 56.797 56.048 0.153 0.000 1.086 247 H CB -0.378 29.458 29.762 0.124 0.000 1.569 247 H HN 0.454 nan 8.280 nan 0.000 0.548 248 G N 1.654 110.474 108.800 0.032 0.000 2.184 248 G HA2 -0.249 3.710 3.960 -0.003 0.000 0.264 248 G HA3 -0.249 3.710 3.960 -0.003 0.000 0.264 248 G C -0.048 174.908 174.900 0.093 0.000 0.975 248 G CA 0.387 45.493 45.100 0.010 0.000 0.642 248 G HN 0.557 nan 8.290 nan 0.000 0.536 249 D N 1.278 121.737 120.400 0.098 0.000 2.619 249 D HA 0.325 4.963 4.640 -0.003 0.000 0.224 249 D C 1.969 178.271 176.300 0.003 0.000 1.133 249 D CA -0.297 53.718 54.000 0.025 0.000 1.017 249 D CB 0.142 40.977 40.800 0.058 0.000 1.077 249 D HN 0.342 nan 8.370 nan 0.000 0.503 250 L N -0.183 121.028 121.223 -0.019 0.000 2.156 250 L HA -0.072 4.266 4.340 -0.003 0.000 0.208 250 L C 2.282 179.116 176.870 -0.059 0.000 1.095 250 L CA 0.616 55.434 54.840 -0.037 0.000 0.770 250 L CB -0.204 41.809 42.059 -0.077 0.000 0.914 250 L HN 0.267 nan 8.230 nan 0.000 0.439 251 L N 0.156 121.334 121.223 -0.075 0.000 2.023 251 L HA -0.143 4.195 4.340 -0.003 0.000 0.205 251 L C 2.812 179.651 176.870 -0.052 0.000 1.073 251 L CA 1.274 56.062 54.840 -0.087 0.000 0.745 251 L CB -0.819 41.180 42.059 -0.101 0.000 0.900 251 L HN 0.390 nan 8.230 nan 0.000 0.435 252 E N 0.379 120.555 120.200 -0.040 0.000 2.204 252 E HA -0.251 4.097 4.350 -0.003 0.000 0.194 252 E C 2.309 178.911 176.600 0.004 0.000 0.989 252 E CA 1.504 57.900 56.400 -0.007 0.000 0.824 252 E CB -1.022 28.682 29.700 0.006 0.000 0.756 252 E HN 0.546 nan 8.360 nan 0.000 0.477 253 c N 1.393 119.995 118.600 0.003 0.000 2.425 253 c HA 0.140 4.709 4.570 -0.003 0.000 0.277 253 c C 2.960 177.053 174.090 0.004 0.000 1.280 253 c CA 1.273 57.614 56.329 0.020 0.000 1.744 253 c CB -0.986 41.554 42.510 0.049 0.000 1.989 253 c HN 0.539 nan 8.230 nan 0.000 0.491 254 A N -0.153 122.651 122.820 -0.027 0.000 1.897 254 A HA -0.081 4.238 4.320 -0.003 0.000 0.215 254 A C 2.049 179.618 177.584 -0.024 0.000 1.181 254 A CA 1.847 53.854 52.037 -0.048 0.000 0.620 254 A CB -0.874 18.085 19.000 -0.069 0.000 0.821 254 A HN 0.610 nan 8.150 nan 0.000 0.443 255 D N 0.266 120.656 120.400 -0.018 0.000 2.123 255 D HA -0.157 4.481 4.640 -0.003 0.000 0.196 255 D C 1.145 177.456 176.300 0.019 0.000 0.992 255 D CA 1.539 55.536 54.000 -0.006 0.000 0.833 255 D CB -0.180 40.614 40.800 -0.011 0.000 0.954 255 D HN 0.359 nan 8.370 nan 0.000 0.455 256 D N -0.571 119.844 120.400 0.025 0.000 2.194 256 D HA -0.079 4.559 4.640 -0.003 0.000 0.204 256 D C 2.048 178.374 176.300 0.042 0.000 0.964 256 D CA 0.352 54.374 54.000 0.037 0.000 0.846 256 D CB -0.237 40.584 40.800 0.035 0.000 0.962 256 D HN 0.234 nan 8.370 nan 0.000 0.490 257 R N 0.643 121.165 120.500 0.036 0.000 2.148 257 R HA -0.031 4.307 4.340 -0.003 0.000 0.227 257 R C 1.882 178.213 176.300 0.052 0.000 1.103 257 R CA 1.075 57.207 56.100 0.054 0.000 0.983 257 R CB 0.048 30.372 30.300 0.040 0.000 0.874 257 R HN 0.084 nan 8.270 nan 0.000 0.451 258 A N 1.451 124.292 122.820 0.035 0.000 1.832 258 A HA -0.165 4.154 4.320 -0.003 0.000 0.214 258 A C 1.614 179.232 177.584 0.058 0.000 1.200 258 A CA 1.687 53.747 52.037 0.038 0.000 0.610 258 A CB -0.664 18.351 19.000 0.024 0.000 0.842 258 A HN 0.359 nan 8.150 nan 0.000 0.444 259 D N -0.373 120.063 120.400 0.059 0.000 2.191 259 D HA -0.190 4.448 4.640 -0.003 0.000 0.195 259 D C 1.761 178.124 176.300 0.104 0.000 1.003 259 D CA 1.598 55.642 54.000 0.073 0.000 0.867 259 D CB -0.393 40.443 40.800 0.060 0.000 0.926 259 D HN 0.354 nan 8.370 nan 0.000 0.450 260 L N 0.663 121.947 121.223 0.102 0.000 2.044 260 L HA 0.001 4.340 4.340 -0.003 0.000 0.205 260 L C 2.207 179.175 176.870 0.163 0.000 1.075 260 L CA 1.719 56.644 54.840 0.141 0.000 0.747 260 L CB -0.687 41.448 42.059 0.126 0.000 0.903 260 L HN -0.025 nan 8.230 nan 0.000 0.435 261 A N -0.353 122.538 122.820 0.119 0.000 1.908 261 A HA -0.279 4.040 4.320 -0.003 0.000 0.218 261 A C 2.442 180.075 177.584 0.081 0.000 1.181 261 A CA 2.085 54.180 52.037 0.096 0.000 0.627 261 A CB -0.681 18.362 19.000 0.071 0.000 0.818 261 A HN 0.530 nan 8.150 nan 0.000 0.445 262 K N -1.546 118.906 120.400 0.087 0.000 1.985 262 K HA -0.237 4.081 4.320 -0.003 0.000 0.210 262 K C 1.993 178.644 176.600 0.085 0.000 1.047 262 K CA 1.936 58.267 56.287 0.073 0.000 0.932 262 K CB -0.534 32.012 32.500 0.077 0.000 0.716 262 K HN 0.467 nan 8.250 nan 0.000 0.439 263 Y N 1.994 122.302 120.300 0.013 0.000 2.053 263 Y HA -0.296 4.252 4.550 -0.003 0.000 0.277 263 Y C 2.021 177.916 175.900 -0.008 0.000 1.159 263 Y CA 2.107 60.210 58.100 0.006 0.000 1.125 263 Y CB -0.500 37.968 38.460 0.013 0.000 0.969 263 Y HN 0.091 nan 8.280 nan 0.000 0.492 264 I N -0.555 120.052 120.570 0.062 0.000 2.091 264 I HA -0.519 3.649 4.170 -0.003 0.000 0.240 264 I C 2.642 178.643 176.117 -0.193 0.000 1.046 264 I CA 1.990 63.239 61.300 -0.084 0.000 1.306 264 I CB -1.070 36.966 38.000 0.059 0.000 1.018 264 I HN 0.424 nan 8.210 nan 0.000 0.404 265 c N 0.553 119.094 118.600 -0.098 0.000 2.413 265 c HA -0.182 4.386 4.570 -0.003 0.000 0.277 265 c C 2.677 176.686 174.090 -0.136 0.000 1.228 265 c CA 0.970 57.241 56.329 -0.097 0.000 1.731 265 c CB -1.188 41.297 42.510 -0.042 0.000 2.042 265 c HN 0.503 nan 8.230 nan 0.000 0.468 266 E N 0.549 120.662 120.200 -0.144 0.000 2.118 266 E HA -0.182 4.166 4.350 -0.003 0.000 0.195 266 E C 0.697 177.160 176.600 -0.228 0.000 0.992 266 E CA 1.241 57.551 56.400 -0.150 0.000 0.804 266 E CB -0.249 29.383 29.700 -0.113 0.000 0.741 266 E HN 0.663 nan 8.360 nan 0.000 0.458 267 N N 0.403 118.868 118.700 -0.391 0.000 2.320 267 N HA 0.010 4.748 4.740 -0.003 0.000 0.237 267 N C 0.811 176.138 175.510 -0.305 0.000 1.129 267 N CA -0.045 52.764 53.050 -0.402 0.000 0.854 267 N CB 0.400 38.470 38.487 -0.696 0.000 1.083 267 N HN 0.153 nan 8.380 nan 0.000 0.504 268 Q N 1.052 120.711 119.800 -0.234 0.000 2.082 268 Q HA -0.271 4.067 4.340 -0.003 0.000 0.211 268 Q C 0.554 176.445 176.000 -0.180 0.000 1.002 268 Q CA 2.016 57.701 55.803 -0.196 0.000 0.868 268 Q CB 0.029 28.685 28.738 -0.137 0.000 0.931 268 Q HN 0.430 nan 8.270 nan 0.000 0.414 269 D N -0.402 119.915 120.400 -0.138 0.000 2.190 269 D HA -0.135 4.503 4.640 -0.003 0.000 0.200 269 D C 1.660 177.896 176.300 -0.107 0.000 0.992 269 D CA 1.613 55.549 54.000 -0.106 0.000 0.854 269 D CB -0.097 40.655 40.800 -0.080 0.000 0.936 269 D HN 0.269 nan 8.370 nan 0.000 0.462 270 S N -0.283 115.341 115.700 -0.126 0.000 2.593 270 S HA 0.144 4.612 4.470 -0.003 0.000 0.217 270 S C 1.907 176.433 174.600 -0.124 0.000 0.966 270 S CA -0.089 58.051 58.200 -0.100 0.000 0.914 270 S CB 0.519 63.668 63.200 -0.085 0.000 0.776 270 S HN 0.242 nan 8.310 nan 0.000 0.523 271 I N -0.172 120.265 120.570 -0.221 0.000 3.196 271 I HA 0.208 4.376 4.170 -0.003 0.000 0.248 271 I C 0.896 176.755 176.117 -0.430 0.000 1.105 271 I CA 0.292 61.360 61.300 -0.387 0.000 1.482 271 I CB 0.483 38.121 38.000 -0.603 0.000 1.400 271 I HN 0.228 nan 8.210 nan 0.000 0.464 272 S N -1.110 114.359 115.700 -0.384 0.000 2.587 272 S HA 0.229 4.697 4.470 -0.003 0.000 0.269 272 S C 0.230 174.747 174.600 -0.138 0.000 1.154 272 S CA 0.009 58.078 58.200 -0.217 0.000 0.824 272 S CB 1.251 64.323 63.200 -0.214 0.000 1.118 272 S HN 0.223 nan 8.310 nan 0.000 0.462 273 S N 1.372 117.033 115.700 -0.065 0.000 2.492 273 S HA 0.228 4.697 4.470 -0.003 0.000 0.218 273 S C 1.018 175.601 174.600 -0.029 0.000 1.016 273 S CA -0.282 57.889 58.200 -0.048 0.000 0.916 273 S CB -0.176 63.006 63.200 -0.030 0.000 0.791 273 S HN 0.611 nan 8.310 nan 0.000 0.513 274 K N 1.537 121.932 120.400 -0.009 0.000 2.555 274 K HA 0.233 4.552 4.320 -0.003 0.000 0.193 274 K C 1.494 178.097 176.600 0.005 0.000 1.032 274 K CA 0.247 56.539 56.287 0.010 0.000 1.004 274 K CB -0.447 32.075 32.500 0.036 0.000 0.804 274 K HN 0.468 nan 8.250 nan 0.000 0.496 275 L N 0.928 122.138 121.223 -0.021 0.000 2.131 275 L HA -0.167 4.172 4.340 -0.003 0.000 0.206 275 L C 2.099 178.955 176.870 -0.023 0.000 1.087 275 L CA 0.941 55.765 54.840 -0.027 0.000 0.767 275 L CB -0.614 41.398 42.059 -0.078 0.000 0.917 275 L HN 0.115 nan 8.230 nan 0.000 0.441 276 K N 1.016 121.398 120.400 -0.029 0.000 2.162 276 K HA -0.333 3.985 4.320 -0.003 0.000 0.219 276 K C 1.621 178.215 176.600 -0.009 0.000 1.038 276 K CA 2.541 58.815 56.287 -0.022 0.000 0.946 276 K CB -0.864 31.625 32.500 -0.018 0.000 0.783 276 K HN 0.321 nan 8.250 nan 0.000 0.470 277 E N 0.117 120.317 120.200 0.000 0.000 2.150 277 E HA -0.086 4.262 4.350 -0.003 0.000 0.193 277 E C 2.083 178.693 176.600 0.016 0.000 0.985 277 E CA 1.455 57.862 56.400 0.011 0.000 0.814 277 E CB -0.149 29.561 29.700 0.016 0.000 0.752 277 E HN 0.518 nan 8.360 nan 0.000 0.466 278 c N -0.114 118.494 118.600 0.013 0.000 2.475 278 c HA -0.026 4.543 4.570 -0.003 0.000 0.279 278 c C 2.434 176.533 174.090 0.015 0.000 1.322 278 c CA -0.261 56.078 56.329 0.017 0.000 1.734 278 c CB -0.661 41.857 42.510 0.013 0.000 2.005 278 c HN 0.530 nan 8.230 nan 0.000 0.495 279 c N 1.468 120.070 118.600 0.004 0.000 2.485 279 c HA -0.039 4.529 4.570 -0.003 0.000 0.283 279 c C 2.112 176.205 174.090 0.005 0.000 1.478 279 c CA 0.978 57.307 56.329 -0.001 0.000 1.741 279 c CB -2.100 40.399 42.510 -0.019 0.000 1.675 279 c HN 0.648 nan 8.230 nan 0.000 0.573 280 E N -0.137 120.070 120.200 0.012 0.000 2.465 280 E HA 0.058 4.406 4.350 -0.003 0.000 0.209 280 E C 0.554 177.169 176.600 0.026 0.000 0.951 280 E CA -0.003 56.406 56.400 0.016 0.000 0.997 280 E CB 0.400 30.108 29.700 0.014 0.000 1.025 280 E HN 0.625 nan 8.360 nan 0.000 0.500 281 K N 1.929 122.349 120.400 0.033 0.000 2.180 281 K HA 0.196 4.514 4.320 -0.003 0.000 0.251 281 K C -2.512 174.118 176.600 0.049 0.000 1.014 281 K CA -1.636 54.680 56.287 0.047 0.000 0.913 281 K CB 0.027 32.562 32.500 0.058 0.000 1.008 281 K HN -0.173 nan 8.250 nan 0.000 0.490 282 P HA -0.048 nan 4.420 nan 0.000 0.271 282 P C 0.629 177.970 177.300 0.068 0.000 1.216 282 P CA -0.209 62.930 63.100 0.066 0.000 0.771 282 P CB 0.478 32.228 31.700 0.082 0.000 0.864 283 L N 4.489 125.745 121.223 0.055 0.000 2.143 283 L HA -0.284 4.055 4.340 -0.003 0.000 0.231 283 L C 1.676 178.575 176.870 0.049 0.000 1.106 283 L CA 2.121 56.989 54.840 0.047 0.000 0.827 283 L CB -1.191 40.892 42.059 0.040 0.000 0.915 283 L HN 0.412 nan 8.230 nan 0.000 0.448 284 L N -1.532 119.741 121.223 0.084 0.000 2.156 284 L HA -0.145 4.193 4.340 -0.003 0.000 0.208 284 L C 2.354 179.211 176.870 -0.022 0.000 1.095 284 L CA 1.112 56.011 54.840 0.098 0.000 0.770 284 L CB -0.448 41.756 42.059 0.242 0.000 0.914 284 L HN 0.324 nan 8.230 nan 0.000 0.439 285 E N -0.085 120.142 120.200 0.046 0.000 2.230 285 E HA -0.157 4.191 4.350 -0.003 0.000 0.192 285 E C 1.997 178.578 176.600 -0.032 0.000 0.987 285 E CA 0.489 56.867 56.400 -0.038 0.000 0.841 285 E CB 0.076 29.887 29.700 0.185 0.000 0.783 285 E HN 0.254 nan 8.360 nan 0.000 0.481 286 K N 0.279 120.683 120.400 0.006 0.000 2.097 286 K HA -0.036 4.283 4.320 -0.003 0.000 0.205 286 K C 1.762 178.365 176.600 0.005 0.000 1.050 286 K CA 1.435 57.730 56.287 0.013 0.000 0.938 286 K CB 0.057 32.572 32.500 0.026 0.000 0.718 286 K HN -0.032 nan 8.250 nan 0.000 0.442 287 S N -0.406 115.293 115.700 -0.001 0.000 2.414 287 S HA -0.105 4.364 4.470 -0.003 0.000 0.227 287 S C 1.624 176.230 174.600 0.010 0.000 1.022 287 S CA 1.016 59.230 58.200 0.023 0.000 0.958 287 S CB -0.360 62.858 63.200 0.029 0.000 0.797 287 S HN 0.527 nan 8.310 nan 0.000 0.493 288 H N 0.617 119.576 119.070 -0.184 0.000 2.357 288 H HA 0.000 4.555 4.556 -0.003 0.000 0.301 288 H C 2.344 177.613 175.328 -0.099 0.000 1.082 288 H CA 1.669 57.579 56.048 -0.230 0.000 1.342 288 H CB -0.829 28.503 29.762 -0.716 0.000 1.389 288 H HN 0.381 nan 8.280 nan 0.000 0.511 289 c N 0.017 118.494 118.600 -0.206 0.000 2.442 289 c HA -0.097 4.472 4.570 -0.003 0.000 0.279 289 c C 2.823 176.851 174.090 -0.103 0.000 1.237 289 c CA 1.171 57.403 56.329 -0.161 0.000 1.722 289 c CB -1.352 41.142 42.510 -0.026 0.000 2.056 289 c HN 0.711 nan 8.230 nan 0.000 0.469 290 I N 1.462 122.018 120.570 -0.022 0.000 2.151 290 I HA -0.262 3.906 4.170 -0.003 0.000 0.243 290 I C 2.818 178.972 176.117 0.061 0.000 1.080 290 I CA 1.952 63.284 61.300 0.052 0.000 1.339 290 I CB -0.652 37.397 38.000 0.082 0.000 1.039 290 I HN 0.477 nan 8.210 nan 0.000 0.409 291 A N -0.173 122.663 122.820 0.027 0.000 1.972 291 A HA -0.151 4.167 4.320 -0.003 0.000 0.219 291 A C 1.224 178.802 177.584 -0.010 0.000 1.169 291 A CA 1.393 53.464 52.037 0.058 0.000 0.635 291 A CB -0.323 18.749 19.000 0.120 0.000 0.810 291 A HN 0.479 nan 8.150 nan 0.000 0.446 292 E N -0.699 119.427 120.200 -0.123 0.000 3.037 292 E HA 0.462 4.810 4.350 -0.003 0.000 0.220 292 E C -1.107 175.442 176.600 -0.086 0.000 1.142 292 E CA -0.209 56.122 56.400 -0.115 0.000 0.888 292 E CB 1.439 31.028 29.700 -0.184 0.000 1.329 292 E HN 0.175 nan 8.360 nan 0.000 0.409 293 V N 1.471 121.371 119.914 -0.023 0.000 3.166 293 V HA 0.446 4.565 4.120 -0.003 0.000 0.317 293 V C -0.641 175.460 176.094 0.012 0.000 1.136 293 V CA -0.623 61.683 62.300 0.009 0.000 1.035 293 V CB 2.037 33.894 31.823 0.057 0.000 1.110 293 V HN 0.554 nan 8.190 nan 0.000 0.450 294 E N 1.641 121.854 120.200 0.022 0.000 2.267 294 E HA 0.420 4.769 4.350 -0.003 0.000 0.258 294 E C -0.943 175.669 176.600 0.020 0.000 1.074 294 E CA -0.953 55.452 56.400 0.009 0.000 0.915 294 E CB 0.455 30.160 29.700 0.009 0.000 1.186 294 E HN 0.591 nan 8.360 nan 0.000 0.439 295 N N 1.742 120.439 118.700 -0.005 0.000 2.497 295 N HA 0.013 4.752 4.740 -0.003 0.000 0.268 295 N C -0.412 175.114 175.510 0.026 0.000 1.171 295 N CA -0.029 53.021 53.050 0.001 0.000 0.948 295 N CB 0.477 38.938 38.487 -0.043 0.000 1.069 295 N HN 0.533 nan 8.380 nan 0.000 0.460 296 D N 0.854 121.294 120.400 0.067 0.000 2.372 296 D HA 0.006 4.644 4.640 -0.003 0.000 0.243 296 D C 0.003 176.311 176.300 0.013 0.000 1.297 296 D CA 0.120 54.151 54.000 0.052 0.000 0.958 296 D CB 0.740 41.589 40.800 0.083 0.000 1.114 296 D HN 0.294 nan 8.370 nan 0.000 0.496 297 E N 0.380 120.581 120.200 0.001 0.000 2.349 297 E HA 0.132 4.480 4.350 -0.003 0.000 0.265 297 E C -0.034 176.549 176.600 -0.028 0.000 1.064 297 E CA -0.337 56.051 56.400 -0.019 0.000 0.886 297 E CB 0.923 30.611 29.700 -0.019 0.000 1.036 297 E HN 0.444 nan 8.360 nan 0.000 0.413 298 M N 2.198 121.767 119.600 -0.052 0.000 2.211 298 M HA 0.211 4.689 4.480 -0.003 0.000 0.356 298 M C -2.193 174.070 176.300 -0.062 0.000 1.216 298 M CA -1.623 53.634 55.300 -0.072 0.000 1.134 298 M CB 0.810 33.344 32.600 -0.111 0.000 1.564 298 M HN 0.033 nan 8.290 nan 0.000 0.463 299 P HA -0.002 nan 4.420 nan 0.000 0.264 299 P C -0.363 176.903 177.300 -0.057 0.000 1.183 299 P CA 0.111 63.183 63.100 -0.048 0.000 0.763 299 P CB 0.646 32.321 31.700 -0.043 0.000 0.807 300 A N 3.072 125.866 122.820 -0.044 0.000 1.859 300 A HA -0.186 4.132 4.320 -0.003 0.000 0.217 300 A C 0.966 178.520 177.584 -0.049 0.000 1.198 300 A CA 1.869 53.879 52.037 -0.044 0.000 0.629 300 A CB -0.930 18.051 19.000 -0.033 0.000 0.830 300 A HN 0.622 nan 8.150 nan 0.000 0.446 301 D N -0.720 119.654 120.400 -0.043 0.000 2.472 301 D HA 0.533 5.171 4.640 -0.003 0.000 0.234 301 D C -0.957 175.313 176.300 -0.050 0.000 1.088 301 D CA -0.118 53.855 54.000 -0.045 0.000 0.882 301 D CB 0.238 41.017 40.800 -0.034 0.000 1.037 301 D HN 0.198 nan 8.370 nan 0.000 0.520 302 L N 4.626 125.808 121.223 -0.068 0.000 2.346 302 L HA 0.573 4.911 4.340 -0.003 0.000 0.276 302 L C -1.475 175.349 176.870 -0.078 0.000 1.006 302 L CA -1.742 53.051 54.840 -0.078 0.000 0.817 302 L CB 1.705 43.697 42.059 -0.112 0.000 1.272 302 L HN 0.382 nan 8.230 nan 0.000 0.421 303 P HA -0.000 nan 4.420 nan 0.000 0.278 303 P C -0.603 176.654 177.300 -0.072 0.000 1.270 303 P CA -0.417 62.646 63.100 -0.063 0.000 0.800 303 P CB 0.586 32.253 31.700 -0.055 0.000 1.142 304 S N -0.787 114.875 115.700 -0.064 0.000 2.438 304 S HA 0.209 4.677 4.470 -0.003 0.000 0.293 304 S C 1.499 176.072 174.600 -0.044 0.000 1.141 304 S CA -0.729 57.428 58.200 -0.072 0.000 1.080 304 S CB -0.409 62.744 63.200 -0.078 0.000 0.978 304 S HN 0.351 nan 8.310 nan 0.000 0.479 305 L N 4.903 126.119 121.223 -0.011 0.000 1.991 305 L HA -0.263 4.075 4.340 -0.003 0.000 0.221 305 L C 2.924 179.909 176.870 0.192 0.000 1.079 305 L CA 2.095 57.030 54.840 0.158 0.000 0.778 305 L CB -0.965 41.264 42.059 0.284 0.000 0.893 305 L HN 0.868 nan 8.230 nan 0.000 0.437 306 A N -0.290 122.545 122.820 0.025 0.000 1.969 306 A HA -0.388 3.930 4.320 -0.003 0.000 0.223 306 A C 2.472 180.109 177.584 0.088 0.000 1.218 306 A CA 2.629 54.681 52.037 0.025 0.000 0.667 306 A CB -1.086 17.807 19.000 -0.178 0.000 0.826 306 A HN 0.550 nan 8.150 nan 0.000 0.472 307 A N 0.030 122.859 122.820 0.015 0.000 1.869 307 A HA -0.295 4.024 4.320 -0.003 0.000 0.218 307 A C 1.715 179.279 177.584 -0.032 0.000 1.203 307 A CA 2.327 54.359 52.037 -0.009 0.000 0.638 307 A CB -0.973 18.003 19.000 -0.040 0.000 0.831 307 A HN 0.626 nan 8.150 nan 0.000 0.450 308 D N -2.035 118.263 120.400 -0.171 0.000 2.249 308 D HA 0.074 4.712 4.640 -0.003 0.000 0.205 308 D C 1.106 177.215 176.300 -0.318 0.000 0.962 308 D CA 0.786 54.578 54.000 -0.347 0.000 0.860 308 D CB -0.068 40.294 40.800 -0.729 0.000 0.955 308 D HN 0.488 nan 8.370 nan 0.000 0.505 309 F N -0.578 119.524 119.950 0.253 0.000 2.717 309 F HA 0.251 4.776 4.527 -0.003 0.000 0.297 309 F C 1.593 177.589 175.800 0.327 0.000 1.113 309 F CA 0.064 58.276 58.000 0.354 0.000 1.319 309 F CB 0.621 39.842 39.000 0.367 0.000 1.097 309 F HN -0.166 nan 8.300 nan 0.000 0.595 310 V N -1.767 118.402 119.914 0.425 0.000 3.359 310 V HA 0.102 4.220 4.120 -0.003 0.000 0.270 310 V C 1.321 177.653 176.094 0.398 0.000 1.583 310 V CA 0.366 62.918 62.300 0.420 0.000 1.019 310 V CB 0.797 32.907 31.823 0.478 0.000 0.831 310 V HN 0.097 nan 8.190 nan 0.000 0.426 311 E N 0.007 120.364 120.200 0.262 0.000 2.206 311 E HA 0.132 4.480 4.350 -0.003 0.000 0.195 311 E C 1.066 177.790 176.600 0.207 0.000 0.935 311 E CA 0.319 56.837 56.400 0.198 0.000 0.875 311 E CB 0.332 30.090 29.700 0.095 0.000 0.841 311 E HN 0.310 nan 8.360 nan 0.000 0.477 312 S N 1.713 117.517 115.700 0.173 0.000 2.626 312 S HA -0.089 4.380 4.470 -0.003 0.000 0.303 312 S C 1.006 175.764 174.600 0.263 0.000 1.256 312 S CA 0.082 58.376 58.200 0.158 0.000 1.069 312 S CB 0.338 63.604 63.200 0.110 0.000 0.807 312 S HN 0.256 nan 8.310 nan 0.000 0.500 313 K N 2.813 123.358 120.400 0.241 0.000 2.525 313 K HA 0.065 4.383 4.320 -0.003 0.000 0.192 313 K C -0.445 176.353 176.600 0.328 0.000 1.029 313 K CA 0.610 57.164 56.287 0.446 0.000 1.029 313 K CB 0.085 32.754 32.500 0.281 0.000 0.814 313 K HN 0.418 nan 8.250 nan 0.000 0.503 314 D N 1.343 121.858 120.400 0.192 0.000 2.772 314 D HA 0.066 4.705 4.640 -0.003 0.000 0.272 314 D C 0.971 177.313 176.300 0.069 0.000 1.314 314 D CA -0.164 53.902 54.000 0.111 0.000 0.835 314 D CB 1.074 41.922 40.800 0.080 0.000 1.080 314 D HN -0.051 nan 8.370 nan 0.000 0.482 315 V N -0.240 119.728 119.914 0.090 0.000 2.346 315 V HA -0.203 3.915 4.120 -0.003 0.000 0.244 315 V C 2.496 178.501 176.094 -0.149 0.000 1.037 315 V CA 1.221 63.517 62.300 -0.005 0.000 1.029 315 V CB -0.219 31.570 31.823 -0.058 0.000 0.663 315 V HN 0.389 nan 8.190 nan 0.000 0.454 316 c N -0.110 118.460 118.600 -0.051 0.000 2.425 316 c HA -0.144 4.424 4.570 -0.003 0.000 0.277 316 c C 2.796 176.849 174.090 -0.061 0.000 1.280 316 c CA 1.420 57.740 56.329 -0.015 0.000 1.744 316 c CB -0.852 41.686 42.510 0.045 0.000 1.989 316 c HN 0.616 nan 8.230 nan 0.000 0.491 317 K N 1.126 121.494 120.400 -0.054 0.000 1.991 317 K HA -0.213 4.105 4.320 -0.003 0.000 0.212 317 K C 2.015 178.550 176.600 -0.108 0.000 1.049 317 K CA 1.876 58.127 56.287 -0.059 0.000 0.932 317 K CB -0.388 32.101 32.500 -0.018 0.000 0.717 317 K HN 0.346 nan 8.250 nan 0.000 0.441 318 N N -0.031 118.584 118.700 -0.142 0.000 2.149 318 N HA -0.209 4.530 4.740 -0.003 0.000 0.188 318 N C 1.772 177.034 175.510 -0.413 0.000 1.019 318 N CA 1.277 54.206 53.050 -0.203 0.000 0.857 318 N CB -0.330 38.063 38.487 -0.158 0.000 0.997 318 N HN 0.346 nan 8.380 nan 0.000 0.426 319 Y N 1.172 120.990 120.300 -0.805 0.000 2.242 319 Y HA -0.003 4.545 4.550 -0.003 0.000 0.291 319 Y C 2.176 177.920 175.900 -0.260 0.000 1.137 319 Y CA 1.457 59.115 58.100 -0.737 0.000 1.181 319 Y CB -0.792 37.298 38.460 -0.617 0.000 0.989 319 Y HN 0.081 nan 8.280 nan 0.000 0.527 320 A N 0.509 123.088 122.820 -0.401 0.000 1.873 320 A HA -0.169 4.149 4.320 -0.003 0.000 0.215 320 A C 2.094 179.544 177.584 -0.224 0.000 1.186 320 A CA 1.664 53.468 52.037 -0.389 0.000 0.616 320 A CB -0.806 18.051 19.000 -0.239 0.000 0.823 320 A HN 0.608 nan 8.150 nan 0.000 0.442 321 E N -0.237 119.885 120.200 -0.130 0.000 2.012 321 E HA -0.089 4.259 4.350 -0.003 0.000 0.211 321 E C 0.865 177.447 176.600 -0.030 0.000 1.029 321 E CA 1.203 57.569 56.400 -0.057 0.000 0.867 321 E CB -0.212 29.479 29.700 -0.015 0.000 0.790 321 E HN 0.524 nan 8.360 nan 0.000 0.482 322 A N 0.806 123.639 122.820 0.020 0.000 2.586 322 A HA 0.189 4.507 4.320 -0.003 0.000 0.320 322 A C 0.715 178.380 177.584 0.136 0.000 1.281 322 A CA -0.578 51.502 52.037 0.073 0.000 0.775 322 A CB 0.471 19.539 19.000 0.114 0.000 1.122 322 A HN 0.274 nan 8.150 nan 0.000 0.470 323 K N 1.180 121.627 120.400 0.079 0.000 2.009 323 K HA -0.205 4.114 4.320 -0.003 0.000 0.210 323 K C 0.492 177.295 176.600 0.337 0.000 1.049 323 K CA 2.195 58.608 56.287 0.209 0.000 0.929 323 K CB -0.300 32.237 32.500 0.062 0.000 0.714 323 K HN 0.418 nan 8.250 nan 0.000 0.440 324 D N 0.647 121.187 120.400 0.234 0.000 2.221 324 D HA -0.120 4.519 4.640 -0.003 0.000 0.204 324 D C 1.822 178.283 176.300 0.269 0.000 0.982 324 D CA 1.186 55.325 54.000 0.232 0.000 0.857 324 D CB 0.117 41.018 40.800 0.169 0.000 0.934 324 D HN 0.101 nan 8.370 nan 0.000 0.475 325 V N -0.031 120.053 119.914 0.283 0.000 2.407 325 V HA -0.152 3.967 4.120 -0.003 0.000 0.245 325 V C 1.834 178.112 176.094 0.306 0.000 1.041 325 V CA 1.042 63.534 62.300 0.320 0.000 1.040 325 V CB -0.490 31.501 31.823 0.280 0.000 0.671 325 V HN 0.203 nan 8.190 nan 0.000 0.455 326 F N 0.360 120.430 119.950 0.200 0.000 2.234 326 F HA -0.067 4.458 4.527 -0.003 0.000 0.299 326 F C 1.915 177.852 175.800 0.229 0.000 1.087 326 F CA 1.500 59.635 58.000 0.224 0.000 1.340 326 F CB -0.041 39.131 39.000 0.287 0.000 1.031 326 F HN 0.020 nan 8.300 nan 0.000 0.500 327 L N -0.569 120.847 121.223 0.322 0.000 2.240 327 L HA 0.028 4.367 4.340 -0.003 0.000 0.211 327 L C 2.714 179.669 176.870 0.141 0.000 1.106 327 L CA 0.936 55.902 54.840 0.210 0.000 0.793 327 L CB -1.312 40.917 42.059 0.283 0.000 0.927 327 L HN 0.277 nan 8.230 nan 0.000 0.446 328 G N -0.359 108.560 108.800 0.198 0.000 2.402 328 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.216 328 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.216 328 G C 1.638 176.637 174.900 0.165 0.000 1.162 328 G CA 0.421 45.692 45.100 0.285 0.000 0.777 328 G HN 0.137 nan 8.290 nan 0.000 0.539 329 M N -0.456 119.027 119.600 -0.196 0.000 2.080 329 M HA -0.033 4.446 4.480 -0.003 0.000 0.260 329 M C 2.245 178.414 176.300 -0.219 0.000 1.068 329 M CA 1.691 56.700 55.300 -0.486 0.000 1.109 329 M CB -0.251 32.064 32.600 -0.475 0.000 1.342 329 M HN 0.292 nan 8.290 nan 0.000 0.405 330 F N 0.461 120.047 119.950 -0.606 0.000 2.069 330 F HA -0.283 4.242 4.527 -0.003 0.000 0.298 330 F C 1.793 177.316 175.800 -0.463 0.000 1.113 330 F CA 1.702 59.091 58.000 -1.019 0.000 1.214 330 F CB -0.641 37.599 39.000 -1.266 0.000 0.978 330 F HN 0.113 nan 8.300 nan 0.000 0.474 331 L N -0.040 120.988 121.223 -0.325 0.000 2.046 331 L HA -0.208 4.131 4.340 -0.003 0.000 0.208 331 L C 2.295 179.073 176.870 -0.153 0.000 1.077 331 L CA 2.051 56.733 54.840 -0.264 0.000 0.747 331 L CB -1.581 40.466 42.059 -0.020 0.000 0.896 331 L HN 0.479 nan 8.230 nan 0.000 0.432 332 Y N 0.116 120.338 120.300 -0.129 0.000 2.145 332 Y HA -0.194 4.354 4.550 -0.003 0.000 0.286 332 Y C 2.364 178.206 175.900 -0.096 0.000 1.145 332 Y CA 1.998 60.085 58.100 -0.022 0.000 1.148 332 Y CB -0.304 38.272 38.460 0.194 0.000 0.981 332 Y HN 0.252 nan 8.280 nan 0.000 0.507 333 E N -0.578 119.338 120.200 -0.474 0.000 2.028 333 E HA -0.233 4.115 4.350 -0.003 0.000 0.191 333 E C 2.180 178.517 176.600 -0.439 0.000 0.988 333 E CA 1.517 57.593 56.400 -0.540 0.000 0.799 333 E CB -1.042 28.520 29.700 -0.231 0.000 0.755 333 E HN 0.607 nan 8.360 nan 0.000 0.447 334 Y N 1.352 121.291 120.300 -0.601 0.000 2.151 334 Y HA -0.286 4.263 4.550 -0.003 0.000 0.284 334 Y C 2.282 178.008 175.900 -0.290 0.000 1.166 334 Y CA 1.693 59.483 58.100 -0.517 0.000 1.163 334 Y CB -0.364 37.505 38.460 -0.984 0.000 0.974 334 Y HN 0.055 nan 8.280 nan 0.000 0.511 335 A N 0.955 123.687 122.820 -0.148 0.000 1.858 335 A HA -0.226 4.092 4.320 -0.003 0.000 0.216 335 A C 2.327 179.807 177.584 -0.174 0.000 1.190 335 A CA 1.997 53.966 52.037 -0.114 0.000 0.617 335 A CB -0.854 18.073 19.000 -0.122 0.000 0.827 335 A HN 0.580 nan 8.150 nan 0.000 0.443 336 R N -0.223 120.126 120.500 -0.252 0.000 2.139 336 R HA -0.161 4.177 4.340 -0.003 0.000 0.243 336 R C 1.809 177.942 176.300 -0.277 0.000 1.145 336 R CA 1.803 57.752 56.100 -0.253 0.000 0.976 336 R CB -0.458 29.649 30.300 -0.323 0.000 0.866 336 R HN 0.516 nan 8.270 nan 0.000 0.449 337 R N -0.358 119.923 120.500 -0.366 0.000 2.240 337 R HA 0.097 4.435 4.340 -0.003 0.000 0.203 337 R C 0.180 176.027 176.300 -0.756 0.000 1.011 337 R CA 0.485 56.274 56.100 -0.518 0.000 1.007 337 R CB 0.177 30.125 30.300 -0.587 0.000 0.911 337 R HN 0.361 nan 8.270 nan 0.000 0.468 338 H N 0.921 119.777 119.070 -0.356 0.000 2.423 338 H HA 0.171 4.725 4.556 -0.003 0.000 0.237 338 H C -1.979 173.178 175.328 -0.286 0.000 1.391 338 H CA -1.896 53.883 56.048 -0.449 0.000 1.453 338 H CB 1.488 30.769 29.762 -0.801 0.000 1.484 338 H HN 0.042 nan 8.280 nan 0.000 0.505 339 P HA 0.003 nan 4.420 nan 0.000 0.257 339 P C 0.556 177.832 177.300 -0.040 0.000 1.281 339 P CA 0.287 63.333 63.100 -0.089 0.000 0.826 339 P CB 0.380 32.017 31.700 -0.105 0.000 1.237 340 D N -2.100 118.286 120.400 -0.024 0.000 2.349 340 D HA -0.038 4.600 4.640 -0.003 0.000 0.214 340 D C 0.016 176.484 176.300 0.280 0.000 1.063 340 D CA -0.113 53.927 54.000 0.067 0.000 0.847 340 D CB -0.360 40.470 40.800 0.050 0.000 0.933 340 D HN 0.059 nan 8.370 nan 0.000 0.513 341 Y N 1.769 122.079 120.300 0.016 0.000 2.387 341 Y HA 0.351 4.899 4.550 -0.003 0.000 0.330 341 Y C 1.111 176.987 175.900 -0.040 0.000 1.133 341 Y CA -2.470 55.621 58.100 -0.016 0.000 1.152 341 Y CB 1.514 39.958 38.460 -0.027 0.000 1.215 341 Y HN -0.123 nan 8.280 nan 0.000 0.466 342 S N 0.176 115.924 115.700 0.079 0.000 2.584 342 S HA 0.188 4.656 4.470 -0.003 0.000 0.270 342 S C 0.977 175.576 174.600 -0.001 0.000 1.346 342 S CA -0.645 57.569 58.200 0.023 0.000 1.018 342 S CB 0.878 64.075 63.200 -0.005 0.000 0.899 342 S HN 0.394 nan 8.310 nan 0.000 0.542 343 V N 1.983 121.884 119.914 -0.022 0.000 2.358 343 V HA -0.164 3.954 4.120 -0.003 0.000 0.246 343 V C 2.599 178.667 176.094 -0.043 0.000 1.047 343 V CA 1.795 64.046 62.300 -0.081 0.000 1.035 343 V CB -1.310 30.411 31.823 -0.170 0.000 0.658 343 V HN 0.915 nan 8.190 nan 0.000 0.452 344 V N -1.345 118.570 119.914 0.001 0.000 2.515 344 V HA -0.179 3.940 4.120 -0.003 0.000 0.250 344 V C 2.346 178.390 176.094 -0.083 0.000 1.058 344 V CA 1.884 64.171 62.300 -0.021 0.000 1.064 344 V CB -0.856 30.957 31.823 -0.016 0.000 0.675 344 V HN 0.447 nan 8.190 nan 0.000 0.461 345 L N 0.183 121.344 121.223 -0.104 0.000 2.005 345 L HA -0.023 4.315 4.340 -0.003 0.000 0.207 345 L C 2.358 179.102 176.870 -0.210 0.000 1.072 345 L CA 1.885 56.614 54.840 -0.186 0.000 0.744 345 L CB -0.790 41.110 42.059 -0.265 0.000 0.895 345 L HN 0.276 nan 8.230 nan 0.000 0.433 346 L N -0.906 120.233 121.223 -0.141 0.000 1.997 346 L HA -0.315 4.024 4.340 -0.003 0.000 0.216 346 L C 2.586 179.336 176.870 -0.199 0.000 1.074 346 L CA 1.889 56.634 54.840 -0.159 0.000 0.763 346 L CB -0.734 41.272 42.059 -0.089 0.000 0.890 346 L HN 0.330 nan 8.230 nan 0.000 0.434 347 L N -0.986 120.156 121.223 -0.135 0.000 2.187 347 L HA -0.213 4.125 4.340 -0.003 0.000 0.213 347 L C 2.752 179.545 176.870 -0.129 0.000 1.100 347 L CA 1.091 55.869 54.840 -0.102 0.000 0.765 347 L CB -0.550 41.477 42.059 -0.053 0.000 0.904 347 L HN 0.245 nan 8.230 nan 0.000 0.437 348 R N 0.085 120.485 120.500 -0.166 0.000 2.092 348 R HA -0.084 4.254 4.340 -0.003 0.000 0.231 348 R C 2.242 178.391 176.300 -0.251 0.000 1.119 348 R CA 1.078 57.071 56.100 -0.179 0.000 0.970 348 R CB -0.199 29.992 30.300 -0.181 0.000 0.864 348 R HN 0.366 nan 8.270 nan 0.000 0.440 349 L N -0.511 120.477 121.223 -0.391 0.000 2.179 349 L HA 0.018 4.356 4.340 -0.003 0.000 0.208 349 L C 2.612 179.239 176.870 -0.405 0.000 1.096 349 L CA 0.816 55.252 54.840 -0.672 0.000 0.779 349 L CB -0.569 40.779 42.059 -1.186 0.000 0.922 349 L HN 0.149 nan 8.230 nan 0.000 0.443 350 A N 0.595 123.311 122.820 -0.174 0.000 1.877 350 A HA -0.237 4.081 4.320 -0.003 0.000 0.216 350 A C 2.352 179.897 177.584 -0.064 0.000 1.186 350 A CA 1.927 53.962 52.037 -0.004 0.000 0.620 350 A CB -0.394 18.636 19.000 0.049 0.000 0.822 350 A HN 0.190 nan 8.150 nan 0.000 0.443 351 K N -0.175 120.178 120.400 -0.078 0.000 2.097 351 K HA -0.075 4.243 4.320 -0.003 0.000 0.206 351 K C 1.992 178.554 176.600 -0.063 0.000 1.049 351 K CA 2.156 58.409 56.287 -0.057 0.000 0.933 351 K CB -0.939 31.526 32.500 -0.057 0.000 0.717 351 K HN 0.492 nan 8.250 nan 0.000 0.442 352 T N -0.102 114.402 114.554 -0.084 0.000 2.643 352 T HA -0.179 4.170 4.350 -0.003 0.000 0.264 352 T C 1.501 176.191 174.700 -0.016 0.000 1.045 352 T CA 1.630 63.709 62.100 -0.034 0.000 1.155 352 T CB -0.747 68.119 68.868 -0.003 0.000 0.863 352 T HN 0.246 nan 8.240 nan 0.000 0.420 353 Y N 1.928 122.113 120.300 -0.192 0.000 2.069 353 Y HA -0.259 4.289 4.550 -0.003 0.000 0.278 353 Y C 2.613 178.314 175.900 -0.330 0.000 1.175 353 Y CA 2.039 59.946 58.100 -0.323 0.000 1.134 353 Y CB -0.406 37.587 38.460 -0.778 0.000 0.965 353 Y HN 0.331 nan 8.280 nan 0.000 0.498 354 E N -0.800 119.284 120.200 -0.194 0.000 2.033 354 E HA -0.275 4.073 4.350 -0.003 0.000 0.199 354 E C 2.119 178.594 176.600 -0.209 0.000 1.011 354 E CA 2.611 58.881 56.400 -0.217 0.000 0.815 354 E CB -0.346 29.334 29.700 -0.033 0.000 0.755 354 E HN 0.626 nan 8.360 nan 0.000 0.451 355 T N -1.973 112.514 114.554 -0.112 0.000 2.881 355 T HA -0.114 4.234 4.350 -0.003 0.000 0.270 355 T C 1.830 176.467 174.700 -0.105 0.000 1.068 355 T CA 1.678 63.735 62.100 -0.071 0.000 1.131 355 T CB -0.685 68.160 68.868 -0.038 0.000 0.871 355 T HN 0.091 nan 8.240 nan 0.000 0.479 356 T N 1.925 116.372 114.554 -0.178 0.000 2.995 356 T HA 0.236 4.584 4.350 -0.003 0.000 0.269 356 T C 1.733 176.295 174.700 -0.230 0.000 1.091 356 T CA 0.644 62.638 62.100 -0.177 0.000 1.128 356 T CB -0.243 68.507 68.868 -0.197 0.000 0.891 356 T HN 0.356 nan 8.240 nan 0.000 0.492 357 L N 0.248 121.238 121.223 -0.388 0.000 2.416 357 L HA 0.142 4.480 4.340 -0.003 0.000 0.216 357 L C 2.661 179.517 176.870 -0.024 0.000 1.098 357 L CA 0.551 55.167 54.840 -0.372 0.000 0.840 357 L CB -0.279 41.178 42.059 -1.003 0.000 0.981 357 L HN 0.095 nan 8.230 nan 0.000 0.462 358 E N 0.838 121.047 120.200 0.015 0.000 2.072 358 E HA -0.231 4.118 4.350 -0.003 0.000 0.191 358 E C 1.972 178.599 176.600 0.045 0.000 0.985 358 E CA 1.094 57.553 56.400 0.098 0.000 0.801 358 E CB 0.045 29.784 29.700 0.065 0.000 0.750 358 E HN 0.373 nan 8.360 nan 0.000 0.452 359 K N 0.433 120.838 120.400 0.009 0.000 2.001 359 K HA -0.084 4.234 4.320 -0.003 0.000 0.208 359 K C 2.274 178.882 176.600 0.013 0.000 1.048 359 K CA 1.418 57.708 56.287 0.005 0.000 0.932 359 K CB -0.145 32.351 32.500 -0.007 0.000 0.715 359 K HN 0.104 nan 8.250 nan 0.000 0.437 360 c N 0.718 119.331 118.600 0.022 0.000 2.457 360 c HA -0.014 4.554 4.570 -0.003 0.000 0.278 360 c C 2.343 176.472 174.090 0.065 0.000 1.309 360 c CA 0.202 56.562 56.329 0.051 0.000 1.735 360 c CB -0.648 41.941 42.510 0.132 0.000 1.992 360 c HN 0.602 nan 8.230 nan 0.000 0.493 361 c N 1.260 119.910 118.600 0.082 0.000 2.477 361 c HA 0.314 4.882 4.570 -0.003 0.000 0.321 361 c C 1.975 176.086 174.090 0.036 0.000 1.369 361 c CA 0.896 57.275 56.329 0.082 0.000 1.607 361 c CB -2.459 40.137 42.510 0.143 0.000 1.632 361 c HN 0.729 nan 8.230 nan 0.000 0.597 362 A N -0.855 121.976 122.820 0.019 0.000 2.334 362 A HA 0.616 4.934 4.320 -0.003 0.000 0.184 362 A C 1.040 178.620 177.584 -0.006 0.000 1.594 362 A CA 0.608 52.647 52.037 0.003 0.000 1.162 362 A CB -0.539 18.463 19.000 0.004 0.000 1.426 362 A HN 0.461 nan 8.150 nan 0.000 0.494 363 A N 0.179 122.994 122.820 -0.008 0.000 2.448 363 A HA 0.526 4.844 4.320 -0.003 0.000 0.239 363 A C 1.689 179.257 177.584 -0.027 0.000 1.080 363 A CA 0.525 52.551 52.037 -0.018 0.000 0.779 363 A CB -0.154 18.831 19.000 -0.025 0.000 1.026 363 A HN 1.530 nan 8.150 nan 0.000 0.499 364 A N 0.816 123.622 122.820 -0.024 0.000 1.863 364 A HA -0.138 4.181 4.320 -0.003 0.000 0.218 364 A C 1.052 178.615 177.584 -0.035 0.000 1.233 364 A CA 2.282 54.305 52.037 -0.023 0.000 0.655 364 A CB -0.661 18.329 19.000 -0.017 0.000 0.839 364 A HN 0.871 nan 8.150 nan 0.000 0.454 365 D N -1.622 118.751 120.400 -0.044 0.000 2.373 365 D HA 0.472 5.110 4.640 -0.003 0.000 0.227 365 D C -1.958 174.262 176.300 -0.135 0.000 1.091 365 D CA -2.129 51.834 54.000 -0.063 0.000 0.840 365 D CB 1.386 42.171 40.800 -0.025 0.000 1.060 365 D HN -0.024 nan 8.370 nan 0.000 0.502 366 P HA -0.046 nan 4.420 nan 0.000 0.215 366 P C 0.769 177.637 177.300 -0.719 0.000 1.157 366 P CA 1.028 63.940 63.100 -0.314 0.000 0.856 366 P CB 0.234 31.808 31.700 -0.211 0.000 0.786 367 H N -0.430 118.352 119.070 -0.481 0.000 2.321 367 H HA -0.184 4.370 4.556 -0.003 0.000 0.295 367 H C 2.067 177.061 175.328 -0.557 0.000 1.102 367 H CA 1.770 57.449 56.048 -0.616 0.000 1.266 367 H CB -0.370 29.260 29.762 -0.221 0.000 1.363 367 H HN 0.249 nan 8.280 nan 0.000 0.492 368 E N 0.410 120.490 120.200 -0.199 0.000 2.204 368 E HA -0.146 4.202 4.350 -0.003 0.000 0.194 368 E C 2.057 178.568 176.600 -0.148 0.000 0.989 368 E CA 1.206 57.526 56.400 -0.134 0.000 0.824 368 E CB 0.041 29.702 29.700 -0.065 0.000 0.756 368 E HN 0.671 nan 8.360 nan 0.000 0.477 369 c N 0.103 118.584 118.600 -0.199 0.000 2.504 369 c HA 0.098 4.667 4.570 -0.003 0.000 0.279 369 c C 2.504 176.572 174.090 -0.036 0.000 1.358 369 c CA -0.018 56.252 56.329 -0.099 0.000 1.747 369 c CB -1.349 41.125 42.510 -0.059 0.000 2.037 369 c HN 0.574 nan 8.230 nan 0.000 0.503 370 Y N 1.642 121.937 120.300 -0.008 0.000 2.546 370 Y HA 0.558 5.106 4.550 -0.003 0.000 0.287 370 Y C 2.173 178.098 175.900 0.042 0.000 1.158 370 Y CA -0.243 57.850 58.100 -0.012 0.000 1.307 370 Y CB -1.438 36.992 38.460 -0.050 0.000 1.036 370 Y HN 0.225 nan 8.280 nan 0.000 0.532 371 A N 1.157 124.035 122.820 0.096 0.000 2.139 371 A HA -0.173 4.145 4.320 -0.003 0.000 0.221 371 A C 1.968 179.633 177.584 0.135 0.000 1.159 371 A CA 1.576 53.696 52.037 0.138 0.000 0.662 371 A CB -0.588 18.428 19.000 0.027 0.000 0.796 371 A HN 0.531 nan 8.150 nan 0.000 0.463 372 K N -0.820 119.642 120.400 0.103 0.000 2.374 372 K HA 0.204 4.522 4.320 -0.003 0.000 0.196 372 K C 1.430 178.057 176.600 0.045 0.000 1.023 372 K CA 0.334 56.664 56.287 0.072 0.000 1.103 372 K CB 0.242 32.766 32.500 0.040 0.000 0.848 372 K HN 0.272 nan 8.250 nan 0.000 0.528 373 V N 0.820 120.757 119.914 0.038 0.000 2.236 373 V HA -0.325 3.793 4.120 -0.003 0.000 0.255 373 V C 1.735 177.485 176.094 -0.572 0.000 1.068 373 V CA 1.979 64.169 62.300 -0.184 0.000 1.044 373 V CB -0.661 31.058 31.823 -0.174 0.000 0.653 373 V HN 0.234 nan 8.190 nan 0.000 0.448 374 F N 0.425 120.004 119.950 -0.618 0.000 2.373 374 F HA -0.136 4.389 4.527 -0.003 0.000 0.300 374 F C 2.068 177.757 175.800 -0.184 0.000 1.080 374 F CA 1.736 59.370 58.000 -0.610 0.000 1.417 374 F CB -0.675 38.209 39.000 -0.192 0.000 1.070 374 F HN 0.222 nan 8.300 nan 0.000 0.546 375 D N -0.230 120.192 120.400 0.036 0.000 2.194 375 D HA -0.098 4.540 4.640 -0.003 0.000 0.204 375 D C 2.007 178.347 176.300 0.066 0.000 0.964 375 D CA 0.919 54.962 54.000 0.071 0.000 0.846 375 D CB 0.012 40.846 40.800 0.057 0.000 0.962 375 D HN 0.283 nan 8.370 nan 0.000 0.490 376 E N -0.855 119.364 120.200 0.032 0.000 2.230 376 E HA -0.076 4.272 4.350 -0.003 0.000 0.192 376 E C 1.486 178.215 176.600 0.215 0.000 0.987 376 E CA 0.185 56.642 56.400 0.094 0.000 0.841 376 E CB 0.042 29.789 29.700 0.079 0.000 0.783 376 E HN 0.318 nan 8.360 nan 0.000 0.481 377 F N 2.041 121.971 119.950 -0.034 0.000 2.216 377 F HA -0.111 4.414 4.527 -0.003 0.000 0.300 377 F C 2.006 177.785 175.800 -0.035 0.000 1.085 377 F CA 0.803 58.755 58.000 -0.080 0.000 1.326 377 F CB -0.705 38.229 39.000 -0.109 0.000 1.027 377 F HN -0.077 nan 8.300 nan 0.000 0.497 378 K N 0.198 120.731 120.400 0.223 0.000 1.988 378 K HA -0.214 4.105 4.320 -0.003 0.000 0.221 378 K C -0.287 176.353 176.600 0.067 0.000 1.053 378 K CA 2.203 58.572 56.287 0.138 0.000 0.959 378 K CB -1.792 30.784 32.500 0.127 0.000 0.728 378 K HN 0.165 nan 8.250 nan 0.000 0.447 379 P HA -0.139 nan 4.420 nan 0.000 0.221 379 P C 1.029 178.323 177.300 -0.010 0.000 1.145 379 P CA 1.104 64.216 63.100 0.021 0.000 0.795 379 P CB 0.066 31.779 31.700 0.022 0.000 0.775 380 L N -1.672 119.538 121.223 -0.022 0.000 2.217 380 L HA -0.076 4.262 4.340 -0.003 0.000 0.211 380 L C 1.987 178.778 176.870 -0.133 0.000 1.107 380 L CA 1.023 55.816 54.840 -0.080 0.000 0.783 380 L CB -0.462 41.531 42.059 -0.112 0.000 0.919 380 L HN -0.099 nan 8.230 nan 0.000 0.442 381 V N -0.707 119.136 119.914 -0.120 0.000 2.878 381 V HA -0.104 4.014 4.120 -0.003 0.000 0.250 381 V C 2.109 178.137 176.094 -0.110 0.000 1.075 381 V CA 0.993 63.176 62.300 -0.195 0.000 1.096 381 V CB -0.161 31.553 31.823 -0.182 0.000 0.724 381 V HN 0.430 nan 8.190 nan 0.000 0.467 382 E N 0.165 120.339 120.200 -0.043 0.000 2.021 382 E HA -0.185 4.163 4.350 -0.003 0.000 0.189 382 E C 2.172 178.762 176.600 -0.018 0.000 0.980 382 E CA 0.901 57.293 56.400 -0.014 0.000 0.803 382 E CB -0.216 29.490 29.700 0.009 0.000 0.766 382 E HN 0.515 nan 8.360 nan 0.000 0.449 383 E N 1.024 121.211 120.200 -0.021 0.000 2.095 383 E HA -0.223 4.125 4.350 -0.003 0.000 0.212 383 E C -0.643 175.950 176.600 -0.011 0.000 1.044 383 E CA 2.155 58.547 56.400 -0.014 0.000 0.857 383 E CB -0.949 28.739 29.700 -0.020 0.000 0.764 383 E HN 0.120 nan 8.360 nan 0.000 0.462 384 P HA -0.113 nan 4.420 nan 0.000 0.216 384 P C 1.237 178.535 177.300 -0.003 0.000 1.153 384 P CA 1.533 64.619 63.100 -0.024 0.000 0.848 384 P CB -0.127 31.533 31.700 -0.068 0.000 0.787 385 Q N -0.883 118.910 119.800 -0.010 0.000 2.224 385 Q HA -0.111 4.227 4.340 -0.003 0.000 0.203 385 Q C 1.717 177.735 176.000 0.030 0.000 0.970 385 Q CA 1.204 57.017 55.803 0.017 0.000 0.865 385 Q CB -0.542 28.208 28.738 0.021 0.000 0.922 385 Q HN 0.477 nan 8.270 nan 0.000 0.445 386 N N -0.103 118.612 118.700 0.025 0.000 2.376 386 N HA -0.039 4.699 4.740 -0.003 0.000 0.177 386 N C 1.626 177.161 175.510 0.042 0.000 1.024 386 N CA 0.100 53.169 53.050 0.032 0.000 0.893 386 N CB 0.187 38.690 38.487 0.026 0.000 0.980 386 N HN 0.083 nan 8.380 nan 0.000 0.439 387 L N 1.009 122.258 121.223 0.044 0.000 2.095 387 L HA 0.022 4.360 4.340 -0.003 0.000 0.204 387 L C 1.720 178.638 176.870 0.079 0.000 1.080 387 L CA 1.006 55.883 54.840 0.062 0.000 0.759 387 L CB -0.083 42.012 42.059 0.060 0.000 0.914 387 L HN 0.059 nan 8.230 nan 0.000 0.439 388 I N 0.027 120.639 120.570 0.070 0.000 2.315 388 I HA -0.258 3.911 4.170 -0.003 0.000 0.248 388 I C 2.436 178.600 176.117 0.077 0.000 1.117 388 I CA 1.282 62.631 61.300 0.082 0.000 1.404 388 I CB -1.459 36.584 38.000 0.071 0.000 1.071 388 I HN 0.424 nan 8.210 nan 0.000 0.419 389 K N 1.040 121.478 120.400 0.063 0.000 2.057 389 K HA -0.242 4.077 4.320 -0.003 0.000 0.207 389 K C 2.212 178.845 176.600 0.056 0.000 1.049 389 K CA 1.574 57.895 56.287 0.056 0.000 0.931 389 K CB -0.042 32.487 32.500 0.047 0.000 0.714 389 K HN 0.323 nan 8.250 nan 0.000 0.440 390 Q N 0.251 120.089 119.800 0.063 0.000 2.079 390 Q HA -0.116 4.223 4.340 -0.003 0.000 0.200 390 Q C 1.557 177.609 176.000 0.086 0.000 0.974 390 Q CA 1.356 57.199 55.803 0.068 0.000 0.840 390 Q CB 0.074 28.855 28.738 0.072 0.000 0.898 390 Q HN 0.364 nan 8.270 nan 0.000 0.430 391 N N -0.424 118.349 118.700 0.122 0.000 2.494 391 N HA -0.067 4.671 4.740 -0.003 0.000 0.182 391 N C 1.445 176.988 175.510 0.056 0.000 1.076 391 N CA 0.529 53.688 53.050 0.182 0.000 0.908 391 N CB 0.040 38.713 38.487 0.310 0.000 0.967 391 N HN 0.309 nan 8.380 nan 0.000 0.449 392 c N 0.589 119.220 118.600 0.052 0.000 2.505 392 c HA 0.028 4.596 4.570 -0.003 0.000 0.279 392 c C 2.681 176.781 174.090 0.017 0.000 1.316 392 c CA 0.159 56.519 56.329 0.052 0.000 1.720 392 c CB -0.491 42.065 42.510 0.075 0.000 2.050 392 c HN 0.495 nan 8.230 nan 0.000 0.493 393 E N 0.478 120.678 120.200 -0.001 0.000 2.017 393 E HA -0.248 4.101 4.350 -0.003 0.000 0.193 393 E C 2.030 178.585 176.600 -0.074 0.000 0.997 393 E CA 1.234 57.619 56.400 -0.026 0.000 0.804 393 E CB -0.257 29.442 29.700 -0.001 0.000 0.757 393 E HN 0.425 nan 8.360 nan 0.000 0.448 394 L N 0.727 121.910 121.223 -0.068 0.000 2.051 394 L HA -0.210 4.128 4.340 -0.003 0.000 0.214 394 L C 2.106 178.824 176.870 -0.254 0.000 1.076 394 L CA 1.779 56.564 54.840 -0.091 0.000 0.758 394 L CB -0.814 41.253 42.059 0.013 0.000 0.890 394 L HN 0.258 nan 8.230 nan 0.000 0.433 395 F N 0.725 120.282 119.950 -0.655 0.000 2.069 395 F HA -0.198 4.328 4.527 -0.002 0.000 0.298 395 F C 2.431 178.047 175.800 -0.307 0.000 1.113 395 F CA 2.006 59.550 58.000 -0.760 0.000 1.214 395 F CB -0.594 37.954 39.000 -0.753 0.000 0.978 395 F HN 0.185 nan 8.300 nan 0.000 0.474 396 E N 0.346 120.255 120.200 -0.484 0.000 2.209 396 E HA -0.246 4.103 4.350 -0.003 0.000 0.196 396 E C 2.103 178.511 176.600 -0.320 0.000 0.993 396 E CA 1.531 57.658 56.400 -0.456 0.000 0.819 396 E CB -0.408 29.161 29.700 -0.219 0.000 0.745 396 E HN 0.672 nan 8.360 nan 0.000 0.477 397 Q N -0.093 119.573 119.800 -0.223 0.000 2.008 397 Q HA 0.026 4.364 4.340 -0.003 0.000 0.196 397 Q C 2.504 178.440 176.000 -0.107 0.000 0.973 397 Q CA 0.827 56.552 55.803 -0.130 0.000 0.826 397 Q CB -0.047 28.648 28.738 -0.072 0.000 0.894 397 Q HN 0.234 nan 8.270 nan 0.000 0.439 398 L N -0.267 120.905 121.223 -0.086 0.000 2.179 398 L HA 0.123 4.462 4.340 -0.003 0.000 0.208 398 L C 1.012 177.887 176.870 0.008 0.000 1.096 398 L CA 0.505 55.349 54.840 0.005 0.000 0.779 398 L CB -0.713 41.409 42.059 0.105 0.000 0.922 398 L HN 0.354 nan 8.230 nan 0.000 0.443 399 G N 0.353 109.082 108.800 -0.118 0.000 2.712 399 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.686 399 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.686 399 G C 0.239 175.305 174.900 0.276 0.000 1.321 399 G CA 0.057 45.107 45.100 -0.084 0.000 0.813 399 G HN 0.270 nan 8.290 nan 0.000 0.599 400 E N 0.007 120.510 120.200 0.504 0.000 2.037 400 E HA -0.307 4.041 4.350 -0.003 0.000 0.214 400 E C 2.027 178.900 176.600 0.454 0.000 1.041 400 E CA 2.382 59.167 56.400 0.642 0.000 0.872 400 E CB -0.273 29.716 29.700 0.482 0.000 0.785 400 E HN 0.858 nan 8.360 nan 0.000 0.476 401 Y N 1.249 121.690 120.300 0.234 0.000 2.030 401 Y HA -0.337 4.210 4.550 -0.005 0.000 0.272 401 Y C 2.226 178.235 175.900 0.181 0.000 1.185 401 Y CA 2.657 60.859 58.100 0.170 0.000 1.120 401 Y CB -0.301 38.236 38.460 0.128 0.000 0.955 401 Y HN 0.035 nan 8.280 nan 0.000 0.495 402 K N -1.046 119.432 120.400 0.130 0.000 2.057 402 K HA -0.191 4.127 4.320 -0.003 0.000 0.207 402 K C 1.987 178.669 176.600 0.137 0.000 1.049 402 K CA 1.479 57.787 56.287 0.035 0.000 0.931 402 K CB -0.619 31.966 32.500 0.143 0.000 0.714 402 K HN 0.311 nan 8.250 nan 0.000 0.440 403 F N 2.732 122.730 119.950 0.081 0.000 2.065 403 F HA -0.288 4.236 4.527 -0.004 0.000 0.298 403 F C 2.038 177.864 175.800 0.044 0.000 1.112 403 F CA 1.738 59.808 58.000 0.117 0.000 1.212 403 F CB -0.715 38.443 39.000 0.262 0.000 0.975 403 F HN 0.078 nan 8.300 nan 0.000 0.476 404 Q N -0.146 119.628 119.800 -0.044 0.000 2.112 404 Q HA -0.258 4.081 4.340 -0.003 0.000 0.206 404 Q C 1.936 177.833 176.000 -0.172 0.000 0.987 404 Q CA 1.781 57.460 55.803 -0.207 0.000 0.858 404 Q CB -0.402 28.269 28.738 -0.112 0.000 0.905 404 Q HN 0.443 nan 8.270 nan 0.000 0.420 405 N N 0.451 119.049 118.700 -0.170 0.000 2.104 405 N HA -0.153 4.586 4.740 -0.003 0.000 0.190 405 N C 1.595 177.078 175.510 -0.045 0.000 1.024 405 N CA 1.446 54.411 53.050 -0.142 0.000 0.853 405 N CB -0.405 37.961 38.487 -0.203 0.000 1.008 405 N HN 0.278 nan 8.380 nan 0.000 0.424 406 A N 1.061 123.883 122.820 0.004 0.000 1.930 406 A HA -0.001 4.317 4.320 -0.003 0.000 0.217 406 A C 2.327 179.929 177.584 0.030 0.000 1.175 406 A CA 0.789 52.861 52.037 0.058 0.000 0.627 406 A CB -0.577 18.522 19.000 0.164 0.000 0.815 406 A HN 0.205 nan 8.150 nan 0.000 0.443 407 L N -0.769 120.415 121.223 -0.064 0.000 2.156 407 L HA -0.096 4.243 4.340 -0.003 0.000 0.208 407 L C 2.510 179.411 176.870 0.052 0.000 1.095 407 L CA 0.528 55.347 54.840 -0.035 0.000 0.770 407 L CB -0.536 41.358 42.059 -0.274 0.000 0.914 407 L HN 0.370 nan 8.230 nan 0.000 0.439 408 L N -0.580 120.630 121.223 -0.022 0.000 1.970 408 L HA -0.228 4.111 4.340 -0.003 0.000 0.212 408 L C 2.597 179.491 176.870 0.040 0.000 1.071 408 L CA 1.290 56.129 54.840 -0.001 0.000 0.751 408 L CB -0.463 41.579 42.059 -0.028 0.000 0.889 408 L HN 0.042 nan 8.230 nan 0.000 0.432 409 V N -0.218 119.714 119.914 0.030 0.000 2.282 409 V HA -0.359 3.759 4.120 -0.003 0.000 0.249 409 V C 2.618 178.728 176.094 0.026 0.000 1.057 409 V CA 2.236 64.555 62.300 0.030 0.000 1.032 409 V CB -0.778 31.067 31.823 0.037 0.000 0.645 409 V HN 0.474 nan 8.190 nan 0.000 0.447 410 R N -0.929 119.596 120.500 0.043 0.000 2.097 410 R HA -0.226 4.112 4.340 -0.003 0.000 0.236 410 R C 2.357 178.606 176.300 -0.084 0.000 1.135 410 R CA 2.372 58.472 56.100 -0.001 0.000 0.934 410 R CB -0.500 29.835 30.300 0.058 0.000 0.846 410 R HN 0.516 nan 8.270 nan 0.000 0.431 411 Y N 0.358 120.631 120.300 -0.044 0.000 2.242 411 Y HA -0.107 4.441 4.550 -0.003 0.000 0.291 411 Y C 2.608 178.478 175.900 -0.051 0.000 1.137 411 Y CA 1.788 59.861 58.100 -0.045 0.000 1.181 411 Y CB -0.461 37.955 38.460 -0.073 0.000 0.989 411 Y HN 0.159 nan 8.280 nan 0.000 0.527 412 T N -0.083 114.501 114.554 0.050 0.000 2.759 412 T HA -0.191 4.158 4.350 -0.003 0.000 0.269 412 T C 1.779 176.426 174.700 -0.089 0.000 1.042 412 T CA 1.608 63.693 62.100 -0.026 0.000 1.140 412 T CB -0.178 68.671 68.868 -0.031 0.000 0.864 412 T HN 0.295 nan 8.240 nan 0.000 0.455 413 K N 0.575 120.933 120.400 -0.071 0.000 2.148 413 K HA -0.017 4.301 4.320 -0.003 0.000 0.204 413 K C 2.312 178.852 176.600 -0.100 0.000 1.050 413 K CA 0.875 57.114 56.287 -0.081 0.000 0.942 413 K CB -0.021 32.453 32.500 -0.044 0.000 0.724 413 K HN 0.174 nan 8.250 nan 0.000 0.446 414 K N 0.984 121.315 120.400 -0.116 0.000 1.980 414 K HA -0.078 4.240 4.320 -0.003 0.000 0.208 414 K C 0.710 177.262 176.600 -0.079 0.000 1.043 414 K CA 1.203 57.416 56.287 -0.124 0.000 0.938 414 K CB 0.312 32.671 32.500 -0.234 0.000 0.724 414 K HN 0.043 nan 8.250 nan 0.000 0.438 415 V N -1.238 118.647 119.914 -0.047 0.000 2.233 415 V HA 0.396 4.514 4.120 -0.003 0.000 0.261 415 V C -2.488 173.568 176.094 -0.065 0.000 1.076 415 V CA -1.645 60.645 62.300 -0.016 0.000 1.001 415 V CB 0.864 32.733 31.823 0.077 0.000 1.206 415 V HN 0.086 nan 8.190 nan 0.000 0.468 416 P HA -0.098 nan 4.420 nan 0.000 0.218 416 P C 1.516 178.683 177.300 -0.222 0.000 1.149 416 P CA 1.320 64.195 63.100 -0.376 0.000 0.817 416 P CB 0.254 31.406 31.700 -0.913 0.000 0.785 417 Q N -0.781 118.965 119.800 -0.090 0.000 2.181 417 Q HA -0.059 4.279 4.340 -0.003 0.000 0.205 417 Q C 0.583 176.598 176.000 0.025 0.000 0.980 417 Q CA 0.632 56.446 55.803 0.019 0.000 0.862 417 Q CB -1.129 27.654 28.738 0.075 0.000 0.905 417 Q HN 0.115 nan 8.270 nan 0.000 0.429 418 V N 1.232 121.166 119.914 0.033 0.000 2.763 418 V HA -0.056 4.062 4.120 -0.003 0.000 0.306 418 V C 0.604 176.697 176.094 -0.002 0.000 1.059 418 V CA -0.164 62.161 62.300 0.042 0.000 1.138 418 V CB 1.149 33.022 31.823 0.083 0.000 0.940 418 V HN 0.221 nan 8.190 nan 0.000 0.489 419 S N 3.545 119.238 115.700 -0.013 0.000 2.558 419 S HA -0.052 4.417 4.470 -0.003 0.000 0.293 419 S C 1.504 176.084 174.600 -0.033 0.000 1.292 419 S CA 0.378 58.561 58.200 -0.029 0.000 1.063 419 S CB 0.620 63.797 63.200 -0.038 0.000 0.831 419 S HN 0.924 nan 8.310 nan 0.000 0.499 420 T N 7.048 121.575 114.554 -0.045 0.000 2.708 420 T HA -0.043 4.305 4.350 -0.003 0.000 0.266 420 T C -0.947 173.722 174.700 -0.051 0.000 1.037 420 T CA 1.641 63.708 62.100 -0.055 0.000 1.146 420 T CB -1.208 67.614 68.868 -0.077 0.000 0.865 420 T HN 0.591 nan 8.240 nan 0.000 0.435 421 P HA -0.128 nan 4.420 nan 0.000 0.218 421 P C 1.602 178.878 177.300 -0.040 0.000 1.154 421 P CA 1.426 64.499 63.100 -0.045 0.000 0.872 421 P CB -0.260 31.413 31.700 -0.044 0.000 0.790 422 T N -0.556 113.975 114.554 -0.039 0.000 2.668 422 T HA -0.088 4.261 4.350 -0.003 0.000 0.262 422 T C 1.800 176.471 174.700 -0.048 0.000 1.045 422 T CA 1.111 63.188 62.100 -0.039 0.000 1.152 422 T CB -1.069 67.784 68.868 -0.024 0.000 0.864 422 T HN 0.032 nan 8.240 nan 0.000 0.419 423 L N 0.918 122.117 121.223 -0.039 0.000 2.081 423 L HA -0.132 4.206 4.340 -0.003 0.000 0.212 423 L C 2.632 179.469 176.870 -0.054 0.000 1.080 423 L CA 0.959 55.774 54.840 -0.042 0.000 0.754 423 L CB -0.693 41.352 42.059 -0.025 0.000 0.893 423 L HN 0.147 nan 8.230 nan 0.000 0.433 424 V N -0.513 119.374 119.914 -0.045 0.000 2.427 424 V HA -0.262 3.857 4.120 -0.003 0.000 0.248 424 V C 2.423 178.491 176.094 -0.042 0.000 1.051 424 V CA 1.886 64.163 62.300 -0.037 0.000 1.048 424 V CB -0.318 31.492 31.823 -0.022 0.000 0.666 424 V HN 0.499 nan 8.190 nan 0.000 0.456 425 E N 0.152 120.324 120.200 -0.047 0.000 2.016 425 E HA -0.168 4.181 4.350 -0.003 0.000 0.190 425 E C 2.251 178.802 176.600 -0.082 0.000 0.985 425 E CA 1.565 57.937 56.400 -0.047 0.000 0.802 425 E CB -0.052 29.624 29.700 -0.040 0.000 0.762 425 E HN 0.325 nan 8.360 nan 0.000 0.448 426 V N 1.002 120.847 119.914 -0.116 0.000 2.332 426 V HA -0.263 3.855 4.120 -0.003 0.000 0.248 426 V C 2.355 178.304 176.094 -0.241 0.000 1.055 426 V CA 2.078 64.265 62.300 -0.187 0.000 1.038 426 V CB -0.425 31.269 31.823 -0.215 0.000 0.651 426 V HN 0.284 nan 8.190 nan 0.000 0.450 427 S N -0.588 114.983 115.700 -0.215 0.000 2.406 427 S HA -0.109 4.359 4.470 -0.003 0.000 0.228 427 S C 2.017 176.499 174.600 -0.195 0.000 1.020 427 S CA 0.990 59.041 58.200 -0.248 0.000 0.965 427 S CB -0.258 62.842 63.200 -0.168 0.000 0.798 427 S HN 0.561 nan 8.310 nan 0.000 0.488 428 R N 1.433 121.863 120.500 -0.116 0.000 2.090 428 R HA 0.087 4.425 4.340 -0.003 0.000 0.228 428 R C 1.646 177.917 176.300 -0.049 0.000 1.110 428 R CA 1.065 57.129 56.100 -0.061 0.000 0.973 428 R CB -0.289 30.008 30.300 -0.005 0.000 0.869 428 R HN 0.304 nan 8.270 nan 0.000 0.440 429 N N 0.784 119.444 118.700 -0.066 0.000 2.250 429 N HA -0.044 4.695 4.740 -0.003 0.000 0.181 429 N C 1.831 177.325 175.510 -0.026 0.000 1.017 429 N CA 0.772 53.813 53.050 -0.016 0.000 0.866 429 N CB -0.117 38.329 38.487 -0.068 0.000 0.985 429 N HN 0.135 nan 8.380 nan 0.000 0.429 430 L N 0.348 121.455 121.223 -0.193 0.000 2.012 430 L HA -0.114 4.224 4.340 -0.003 0.000 0.210 430 L C 2.304 179.073 176.870 -0.169 0.000 1.073 430 L CA 1.494 56.183 54.840 -0.252 0.000 0.748 430 L CB -0.973 40.806 42.059 -0.466 0.000 0.891 430 L HN 0.236 nan 8.230 nan 0.000 0.431 431 G N -0.048 108.594 108.800 -0.263 0.000 2.469 431 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.219 431 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.219 431 G C 1.539 176.388 174.900 -0.085 0.000 1.150 431 G CA 0.580 45.468 45.100 -0.354 0.000 0.763 431 G HN 0.336 nan 8.290 nan 0.000 0.561 432 K N 0.031 120.435 120.400 0.006 0.000 2.585 432 K HA 0.092 4.410 4.320 -0.003 0.000 0.194 432 K C 2.134 178.654 176.600 -0.133 0.000 1.037 432 K CA 0.119 56.398 56.287 -0.012 0.000 0.964 432 K CB 0.033 32.565 32.500 0.053 0.000 0.787 432 K HN 0.238 nan 8.250 nan 0.000 0.488 433 V N 0.466 120.386 119.914 0.011 0.000 2.667 433 V HA -0.116 4.002 4.120 -0.003 0.000 0.252 433 V C 1.985 177.975 176.094 -0.174 0.000 1.065 433 V CA 2.047 64.310 62.300 -0.062 0.000 1.083 433 V CB -0.309 31.665 31.823 0.252 0.000 0.692 433 V HN 0.462 nan 8.190 nan 0.000 0.468 434 G N -0.448 108.191 108.800 -0.267 0.000 2.433 434 G HA2 -0.240 3.719 3.960 -0.003 0.000 0.216 434 G HA3 -0.240 3.719 3.960 -0.003 0.000 0.216 434 G C 1.713 176.074 174.900 -0.898 0.000 1.186 434 G CA 1.156 45.738 45.100 -0.862 0.000 0.779 434 G HN 0.570 nan 8.290 nan 0.000 0.543 435 S N 0.222 115.495 115.700 -0.711 0.000 2.481 435 S HA 0.043 4.511 4.470 -0.003 0.000 0.231 435 S C 2.063 176.587 174.600 -0.127 0.000 0.996 435 S CA 0.841 58.925 58.200 -0.192 0.000 0.942 435 S CB 0.050 63.236 63.200 -0.023 0.000 0.768 435 S HN 0.397 nan 8.310 nan 0.000 0.520 436 K N 0.301 120.581 120.400 -0.200 0.000 2.098 436 K HA 0.093 4.411 4.320 -0.003 0.000 0.203 436 K C 1.756 178.344 176.600 -0.021 0.000 1.051 436 K CA 1.230 57.425 56.287 -0.153 0.000 0.957 436 K CB -0.062 32.235 32.500 -0.337 0.000 0.738 436 K HN 0.396 nan 8.250 nan 0.000 0.447 437 c N -0.459 118.137 118.600 -0.007 0.000 2.689 437 c HA 0.117 4.685 4.570 -0.003 0.000 0.336 437 c C 2.502 176.679 174.090 0.146 0.000 1.304 437 c CA -0.615 55.823 56.329 0.181 0.000 1.860 437 c CB -0.546 42.036 42.510 0.119 0.000 2.405 437 c HN 0.484 nan 8.230 nan 0.000 0.557 438 c N 1.581 120.219 118.600 0.062 0.000 2.421 438 c HA -0.087 4.482 4.570 -0.003 0.000 0.296 438 c C 2.180 176.311 174.090 0.068 0.000 1.470 438 c CA 1.229 57.618 56.329 0.101 0.000 1.779 438 c CB -1.542 41.083 42.510 0.191 0.000 1.715 438 c HN 0.570 nan 8.230 nan 0.000 0.564 439 K N 0.289 120.672 120.400 -0.029 0.000 2.469 439 K HA 0.126 4.444 4.320 -0.003 0.000 0.201 439 K C 0.147 176.574 176.600 -0.288 0.000 1.028 439 K CA 0.256 56.460 56.287 -0.138 0.000 1.170 439 K CB -0.387 32.003 32.500 -0.183 0.000 0.874 439 K HN 0.547 nan 8.250 nan 0.000 0.507 440 H N 0.012 119.100 119.070 0.031 0.000 2.731 440 H HA 0.348 4.903 4.556 -0.003 0.000 0.368 440 H C -2.427 172.917 175.328 0.027 0.000 1.168 440 H CA -2.316 53.746 56.048 0.024 0.000 1.181 440 H CB 1.428 31.202 29.762 0.020 0.000 1.743 440 H HN 0.036 nan 8.280 nan 0.000 0.547 441 P HA 0.032 nan 4.420 nan 0.000 0.269 441 P C 0.215 177.572 177.300 0.095 0.000 1.215 441 P CA -0.092 63.067 63.100 0.098 0.000 0.780 441 P CB 1.228 32.975 31.700 0.077 0.000 0.898 442 E N 1.213 121.457 120.200 0.074 0.000 2.401 442 E HA -0.239 4.110 4.350 -0.003 0.000 0.204 442 E C 1.765 178.408 176.600 0.070 0.000 1.036 442 E CA 1.591 58.033 56.400 0.070 0.000 0.856 442 E CB -0.313 29.422 29.700 0.059 0.000 0.770 442 E HN 0.527 nan 8.360 nan 0.000 0.527 443 A N 1.378 124.235 122.820 0.062 0.000 1.861 443 A HA -0.111 4.207 4.320 -0.003 0.000 0.212 443 A C 1.881 179.486 177.584 0.036 0.000 1.199 443 A CA 0.963 53.031 52.037 0.052 0.000 0.613 443 A CB -0.031 18.989 19.000 0.033 0.000 0.846 443 A HN 0.020 nan 8.150 nan 0.000 0.446 444 K N -0.321 120.086 120.400 0.012 0.000 2.365 444 K HA -0.022 4.296 4.320 -0.003 0.000 0.199 444 K C 2.096 178.654 176.600 -0.070 0.000 1.045 444 K CA 0.721 56.963 56.287 -0.074 0.000 0.962 444 K CB -0.088 32.287 32.500 -0.209 0.000 0.759 444 K HN 0.354 nan 8.250 nan 0.000 0.469 445 R N 0.820 121.336 120.500 0.026 0.000 2.094 445 R HA -0.142 4.197 4.340 -0.003 0.000 0.239 445 R C 2.370 178.696 176.300 0.044 0.000 1.137 445 R CA 1.890 58.023 56.100 0.056 0.000 0.943 445 R CB -0.311 30.040 30.300 0.085 0.000 0.850 445 R HN 0.212 nan 8.270 nan 0.000 0.433 446 M N 1.002 120.632 119.600 0.050 0.000 2.117 446 M HA -0.076 4.402 4.480 -0.003 0.000 0.262 446 M C -0.928 175.396 176.300 0.039 0.000 1.065 446 M CA 1.645 56.974 55.300 0.048 0.000 1.114 446 M CB -0.590 32.044 32.600 0.057 0.000 1.361 446 M HN -0.029 nan 8.290 nan 0.000 0.408 447 P HA -0.095 nan 4.420 nan 0.000 0.218 447 P C 1.761 179.070 177.300 0.015 0.000 1.152 447 P CA 1.288 64.397 63.100 0.016 0.000 0.826 447 P CB -0.425 31.270 31.700 -0.009 0.000 0.790 448 c N 0.167 118.761 118.600 -0.010 0.000 2.462 448 c HA 0.091 4.659 4.570 -0.003 0.000 0.278 448 c C 2.941 177.075 174.090 0.074 0.000 1.253 448 c CA 1.468 57.797 56.329 0.001 0.000 1.713 448 c CB -1.548 40.930 42.510 -0.054 0.000 2.049 448 c HN 0.228 nan 8.230 nan 0.000 0.477 449 A N 0.287 123.152 122.820 0.074 0.000 1.827 449 A HA -0.218 4.100 4.320 -0.003 0.000 0.215 449 A C 2.117 179.776 177.584 0.126 0.000 1.212 449 A CA 2.002 54.106 52.037 0.111 0.000 0.624 449 A CB -1.439 17.614 19.000 0.087 0.000 0.853 449 A HN 0.746 nan 8.150 nan 0.000 0.450 450 E N -0.381 119.865 120.200 0.076 0.000 2.070 450 E HA -0.264 4.084 4.350 -0.003 0.000 0.197 450 E C 1.502 178.131 176.600 0.048 0.000 1.004 450 E CA 1.740 58.170 56.400 0.050 0.000 0.805 450 E CB -0.175 29.538 29.700 0.021 0.000 0.744 450 E HN 0.580 nan 8.360 nan 0.000 0.451 451 D N -0.583 119.858 120.400 0.069 0.000 2.144 451 D HA -0.185 4.453 4.640 -0.003 0.000 0.199 451 D C 1.692 178.036 176.300 0.073 0.000 0.984 451 D CA 0.882 54.927 54.000 0.076 0.000 0.834 451 D CB -0.410 40.454 40.800 0.105 0.000 0.955 451 D HN 0.296 nan 8.370 nan 0.000 0.465 452 Y N 2.087 122.382 120.300 -0.008 0.000 2.097 452 Y HA -0.202 4.346 4.550 -0.003 0.000 0.282 452 Y C 2.302 178.171 175.900 -0.053 0.000 1.152 452 Y CA 1.210 59.294 58.100 -0.025 0.000 1.136 452 Y CB -0.634 37.814 38.460 -0.020 0.000 0.975 452 Y HN -0.098 nan 8.280 nan 0.000 0.498 453 L N -0.936 120.217 121.223 -0.117 0.000 2.013 453 L HA -0.300 4.039 4.340 -0.003 0.000 0.212 453 L C 2.445 179.170 176.870 -0.241 0.000 1.073 453 L CA 1.808 56.517 54.840 -0.218 0.000 0.753 453 L CB -1.083 40.933 42.059 -0.071 0.000 0.890 453 L HN 0.178 nan 8.230 nan 0.000 0.432 454 S N -0.181 115.431 115.700 -0.147 0.000 2.359 454 S HA -0.160 4.308 4.470 -0.003 0.000 0.224 454 S C 2.040 176.520 174.600 -0.201 0.000 1.035 454 S CA 1.364 59.480 58.200 -0.140 0.000 1.018 454 S CB -0.461 62.689 63.200 -0.083 0.000 0.876 454 S HN 0.192 nan 8.310 nan 0.000 0.448 455 V N 1.621 121.400 119.914 -0.226 0.000 2.490 455 V HA -0.131 3.987 4.120 -0.003 0.000 0.250 455 V C 2.241 178.152 176.094 -0.305 0.000 1.061 455 V CA 1.269 63.425 62.300 -0.241 0.000 1.064 455 V CB -0.734 30.970 31.823 -0.199 0.000 0.670 455 V HN 0.344 nan 8.190 nan 0.000 0.461 456 V N -0.423 119.233 119.914 -0.430 0.000 2.283 456 V HA -0.197 3.922 4.120 -0.003 0.000 0.243 456 V C 2.281 178.163 176.094 -0.354 0.000 1.039 456 V CA 1.732 63.770 62.300 -0.437 0.000 1.016 456 V CB -0.526 30.962 31.823 -0.559 0.000 0.650 456 V HN 0.404 nan 8.190 nan 0.000 0.449 457 L N 0.653 121.657 121.223 -0.365 0.000 2.042 457 L HA -0.228 4.110 4.340 -0.003 0.000 0.210 457 L C 2.420 179.122 176.870 -0.280 0.000 1.076 457 L CA 2.175 56.777 54.840 -0.396 0.000 0.749 457 L CB -0.820 40.992 42.059 -0.413 0.000 0.893 457 L HN 0.458 nan 8.230 nan 0.000 0.432 458 N N -0.254 118.326 118.700 -0.201 0.000 2.443 458 N HA -0.213 4.525 4.740 -0.003 0.000 0.184 458 N C 1.825 177.252 175.510 -0.138 0.000 1.037 458 N CA 0.849 53.818 53.050 -0.136 0.000 0.896 458 N CB 0.052 38.462 38.487 -0.130 0.000 0.959 458 N HN 0.312 nan 8.380 nan 0.000 0.442 459 Q N -0.586 119.112 119.800 -0.170 0.000 2.049 459 Q HA -0.107 4.231 4.340 -0.003 0.000 0.198 459 Q C 1.755 177.687 176.000 -0.114 0.000 0.971 459 Q CA 0.905 56.625 55.803 -0.139 0.000 0.833 459 Q CB -0.106 28.538 28.738 -0.157 0.000 0.896 459 Q HN 0.398 nan 8.270 nan 0.000 0.434 460 L N 0.693 121.825 121.223 -0.153 0.000 1.943 460 L HA -0.238 4.100 4.340 -0.003 0.000 0.215 460 L C 2.444 179.293 176.870 -0.035 0.000 1.074 460 L CA 1.973 56.744 54.840 -0.116 0.000 0.759 460 L CB -1.157 40.768 42.059 -0.223 0.000 0.888 460 L HN 0.378 nan 8.230 nan 0.000 0.433 461 c N -1.001 117.566 118.600 -0.055 0.000 2.381 461 c HA -0.246 4.322 4.570 -0.003 0.000 0.273 461 c C 2.787 176.900 174.090 0.037 0.000 1.160 461 c CA 1.442 57.779 56.329 0.013 0.000 1.817 461 c CB -1.634 40.890 42.510 0.023 0.000 2.123 461 c HN 0.684 nan 8.230 nan 0.000 0.464 462 V N -1.772 118.137 119.914 -0.007 0.000 2.878 462 V HA 0.064 4.182 4.120 -0.003 0.000 0.250 462 V C 1.885 177.987 176.094 0.012 0.000 1.075 462 V CA 1.491 63.784 62.300 -0.011 0.000 1.096 462 V CB -0.739 31.044 31.823 -0.067 0.000 0.724 462 V HN 0.590 nan 8.190 nan 0.000 0.467 463 L N 0.025 121.258 121.223 0.016 0.000 2.209 463 L HA 0.039 4.377 4.340 -0.003 0.000 0.207 463 L C 2.657 179.548 176.870 0.036 0.000 1.094 463 L CA 1.900 56.748 54.840 0.013 0.000 0.790 463 L CB -0.708 41.349 42.059 -0.005 0.000 0.932 463 L HN 0.470 nan 8.230 nan 0.000 0.447 464 H N 0.207 119.265 119.070 -0.021 0.000 2.372 464 H HA -0.157 4.397 4.556 -0.003 0.000 0.301 464 H C 2.258 177.585 175.328 -0.003 0.000 1.065 464 H CA 1.578 57.622 56.048 -0.006 0.000 1.364 464 H CB 0.323 30.092 29.762 0.012 0.000 1.406 464 H HN 0.243 nan 8.280 nan 0.000 0.521 465 E N 0.783 121.107 120.200 0.207 0.000 2.171 465 E HA -0.278 4.070 4.350 -0.003 0.000 0.197 465 E C 2.077 178.688 176.600 0.018 0.000 0.997 465 E CA 1.269 57.746 56.400 0.130 0.000 0.810 465 E CB -0.028 29.719 29.700 0.077 0.000 0.738 465 E HN 0.466 nan 8.360 nan 0.000 0.467 466 K N -0.029 120.366 120.400 -0.008 0.000 1.971 466 K HA -0.129 4.189 4.320 -0.003 0.000 0.221 466 K C 0.654 177.217 176.600 -0.062 0.000 1.050 466 K CA 1.991 58.260 56.287 -0.030 0.000 0.967 466 K CB -0.252 32.232 32.500 -0.026 0.000 0.733 466 K HN 0.175 nan 8.250 nan 0.000 0.445 467 T N 1.515 116.005 114.554 -0.107 0.000 3.355 467 T HA 0.336 4.684 4.350 -0.003 0.000 0.376 467 T C -2.597 171.933 174.700 -0.283 0.000 1.683 467 T CA -1.970 60.046 62.100 -0.141 0.000 1.269 467 T CB 1.007 69.807 68.868 -0.112 0.000 1.158 467 T HN 0.126 nan 8.240 nan 0.000 0.703 468 P HA 0.138 nan 4.420 nan 0.000 0.263 468 P C 0.247 177.400 177.300 -0.244 0.000 1.195 468 P CA -0.180 62.698 63.100 -0.370 0.000 0.762 468 P CB 1.607 33.296 31.700 -0.018 0.000 0.799 469 V N 1.825 121.568 119.914 -0.286 0.000 3.350 469 V HA 0.044 4.162 4.120 -0.003 0.000 0.246 469 V C 0.970 177.140 176.094 0.128 0.000 1.363 469 V CA 0.826 63.103 62.300 -0.038 0.000 1.162 469 V CB 0.393 32.176 31.823 -0.067 0.000 0.947 469 V HN 0.673 nan 8.190 nan 0.000 0.454 470 S N -0.078 115.829 115.700 0.346 0.000 2.473 470 S HA 0.419 4.887 4.470 -0.003 0.000 0.307 470 S C 0.034 174.732 174.600 0.163 0.000 1.094 470 S CA -0.614 57.719 58.200 0.222 0.000 1.070 470 S CB 1.845 65.149 63.200 0.174 0.000 1.019 470 S HN 0.241 nan 8.310 nan 0.000 0.480 471 D N 2.318 122.765 120.400 0.078 0.000 2.149 471 D HA -0.061 4.577 4.640 -0.003 0.000 0.201 471 D C 1.687 177.971 176.300 -0.027 0.000 0.972 471 D CA 0.939 54.959 54.000 0.033 0.000 0.835 471 D CB -0.077 40.736 40.800 0.023 0.000 0.966 471 D HN 0.621 nan 8.370 nan 0.000 0.476 472 R N 0.732 121.208 120.500 -0.039 0.000 2.152 472 R HA -0.030 4.309 4.340 -0.003 0.000 0.232 472 R C 2.397 178.605 176.300 -0.153 0.000 1.117 472 R CA 0.421 56.463 56.100 -0.097 0.000 0.981 472 R CB -0.293 29.955 30.300 -0.086 0.000 0.870 472 R HN 0.063 nan 8.270 nan 0.000 0.451 473 V N 0.623 120.462 119.914 -0.124 0.000 2.283 473 V HA -0.212 3.906 4.120 -0.003 0.000 0.243 473 V C 2.078 178.057 176.094 -0.193 0.000 1.039 473 V CA 2.233 64.444 62.300 -0.149 0.000 1.016 473 V CB -0.519 31.039 31.823 -0.441 0.000 0.650 473 V HN 0.370 nan 8.190 nan 0.000 0.449 474 T N -0.120 114.302 114.554 -0.219 0.000 2.759 474 T HA -0.258 4.090 4.350 -0.003 0.000 0.269 474 T C 1.881 176.545 174.700 -0.060 0.000 1.042 474 T CA 1.863 63.908 62.100 -0.091 0.000 1.140 474 T CB -0.195 68.674 68.868 0.002 0.000 0.864 474 T HN 0.469 nan 8.240 nan 0.000 0.455 475 K N 0.546 120.893 120.400 -0.088 0.000 1.973 475 K HA -0.112 4.206 4.320 -0.003 0.000 0.212 475 K C 2.471 178.994 176.600 -0.129 0.000 1.047 475 K CA 1.607 57.839 56.287 -0.092 0.000 0.937 475 K CB -0.632 31.805 32.500 -0.106 0.000 0.721 475 K HN 0.303 nan 8.250 nan 0.000 0.440 476 c N 0.922 119.361 118.600 -0.269 0.000 2.403 476 c HA -0.158 4.410 4.570 -0.003 0.000 0.279 476 c C 2.953 176.967 174.090 -0.128 0.000 1.269 476 c CA 0.781 56.862 56.329 -0.413 0.000 1.774 476 c CB -1.082 40.687 42.510 -1.235 0.000 1.993 476 c HN 0.658 nan 8.230 nan 0.000 0.496 477 c N -0.943 117.671 118.600 0.024 0.000 2.467 477 c HA -0.025 4.544 4.570 -0.003 0.000 0.279 477 c C 2.749 176.946 174.090 0.178 0.000 1.347 477 c CA 1.200 57.626 56.329 0.161 0.000 1.748 477 c CB -1.469 41.130 42.510 0.148 0.000 1.977 477 c HN 0.664 nan 8.230 nan 0.000 0.501 478 T N 0.281 114.896 114.554 0.101 0.000 2.976 478 T HA -0.079 4.269 4.350 -0.003 0.000 0.257 478 T C 1.679 176.471 174.700 0.154 0.000 1.051 478 T CA 1.060 63.222 62.100 0.104 0.000 1.141 478 T CB -0.190 68.688 68.868 0.016 0.000 0.881 478 T HN 0.589 nan 8.240 nan 0.000 0.461 479 E N 1.398 121.648 120.200 0.084 0.000 2.114 479 E HA -0.118 4.231 4.350 -0.003 0.000 0.199 479 E C 0.402 177.065 176.600 0.104 0.000 1.008 479 E CA 1.118 57.554 56.400 0.061 0.000 0.810 479 E CB 0.118 29.812 29.700 -0.009 0.000 0.739 479 E HN 0.300 nan 8.360 nan 0.000 0.456 480 S N -2.326 113.442 115.700 0.114 0.000 2.674 480 S HA 0.044 4.512 4.470 -0.003 0.000 0.321 480 S C -0.057 174.426 174.600 -0.196 0.000 0.934 480 S CA -0.362 57.842 58.200 0.006 0.000 0.827 480 S CB 0.182 63.363 63.200 -0.032 0.000 1.041 480 S HN 0.242 nan 8.310 nan 0.000 0.470 481 L N 5.986 126.792 121.223 -0.694 0.000 2.079 481 L HA 0.087 4.425 4.340 -0.003 0.000 0.210 481 L C 1.964 178.630 176.870 -0.341 0.000 1.081 481 L CA 2.328 56.713 54.840 -0.759 0.000 0.752 481 L CB -0.449 40.764 42.059 -1.411 0.000 0.896 481 L HN 0.670 nan 8.230 nan 0.000 0.433 482 V N -0.179 119.568 119.914 -0.277 0.000 2.626 482 V HA -0.187 3.932 4.120 -0.003 0.000 0.252 482 V C 1.424 177.457 176.094 -0.102 0.000 1.067 482 V CA 1.846 64.054 62.300 -0.154 0.000 1.081 482 V CB -0.812 30.932 31.823 -0.131 0.000 0.686 482 V HN 0.554 nan 8.190 nan 0.000 0.468 483 N N -1.067 117.576 118.700 -0.094 0.000 2.238 483 N HA 0.157 4.895 4.740 -0.003 0.000 0.222 483 N C 1.567 177.062 175.510 -0.024 0.000 1.133 483 N CA -0.189 52.825 53.050 -0.058 0.000 0.854 483 N CB 0.210 38.659 38.487 -0.063 0.000 1.041 483 N HN 0.297 nan 8.380 nan 0.000 0.510 484 R N 0.492 121.000 120.500 0.014 0.000 2.082 484 R HA -0.084 4.254 4.340 -0.003 0.000 0.234 484 R C 2.069 178.533 176.300 0.274 0.000 1.136 484 R CA 1.212 57.404 56.100 0.153 0.000 0.935 484 R CB -0.162 30.264 30.300 0.210 0.000 0.842 484 R HN 0.225 nan 8.270 nan 0.000 0.430 485 R N 0.626 121.228 120.500 0.170 0.000 2.082 485 R HA -0.118 4.221 4.340 -0.003 0.000 0.234 485 R C -0.769 175.615 176.300 0.140 0.000 1.136 485 R CA 1.778 57.980 56.100 0.170 0.000 0.935 485 R CB -1.295 29.047 30.300 0.070 0.000 0.842 485 R HN 0.122 nan 8.270 nan 0.000 0.430 486 P HA -0.183 nan 4.420 nan 0.000 0.216 486 P C 1.604 178.904 177.300 -0.001 0.000 1.154 486 P CA 1.221 64.332 63.100 0.018 0.000 0.865 486 P CB -0.248 31.441 31.700 -0.018 0.000 0.789 487 c N -1.989 116.590 118.600 -0.035 0.000 2.413 487 c HA -0.167 4.401 4.570 -0.003 0.000 0.277 487 c C 2.431 176.391 174.090 -0.215 0.000 1.228 487 c CA 0.856 57.084 56.329 -0.169 0.000 1.731 487 c CB -2.060 40.260 42.510 -0.317 0.000 2.042 487 c HN 0.074 nan 8.230 nan 0.000 0.468 488 F N 0.898 120.841 119.950 -0.012 0.000 2.146 488 F HA -0.065 4.460 4.527 -0.003 0.000 0.298 488 F C 2.851 178.623 175.800 -0.045 0.000 1.096 488 F CA 1.815 59.813 58.000 -0.005 0.000 1.275 488 F CB -0.885 38.177 39.000 0.102 0.000 1.008 488 F HN 0.103 nan 8.300 nan 0.000 0.480 489 S N -0.325 115.474 115.700 0.164 0.000 2.400 489 S HA -0.183 4.285 4.470 -0.003 0.000 0.232 489 S C 2.268 176.870 174.600 0.002 0.000 1.025 489 S CA 1.059 59.307 58.200 0.080 0.000 0.993 489 S CB -0.509 62.742 63.200 0.085 0.000 0.808 489 S HN 0.363 nan 8.310 nan 0.000 0.478 490 A N 0.887 123.696 122.820 -0.020 0.000 1.930 490 A HA 0.228 4.546 4.320 -0.003 0.000 0.215 490 A C 0.907 178.451 177.584 -0.067 0.000 1.176 490 A CA 0.344 52.354 52.037 -0.045 0.000 0.632 490 A CB -0.455 18.512 19.000 -0.055 0.000 0.819 490 A HN 0.428 nan 8.150 nan 0.000 0.445 491 L N -0.037 121.130 121.223 -0.093 0.000 2.503 491 L HA 0.170 4.508 4.340 -0.003 0.000 0.287 491 L C 0.485 177.300 176.870 -0.091 0.000 1.252 491 L CA 0.171 54.950 54.840 -0.101 0.000 0.835 491 L CB 0.057 42.044 42.059 -0.120 0.000 1.099 491 L HN 0.378 nan 8.230 nan 0.000 0.516 492 E N 0.176 120.331 120.200 -0.075 0.000 2.433 492 E HA 0.280 4.628 4.350 -0.003 0.000 0.273 492 E C -1.239 175.328 176.600 -0.054 0.000 0.950 492 E CA -0.833 55.529 56.400 -0.063 0.000 0.796 492 E CB 1.918 31.593 29.700 -0.041 0.000 1.330 492 E HN 0.206 nan 8.360 nan 0.000 0.455 493 V N 2.707 122.595 119.914 -0.042 0.000 2.621 493 V HA -0.069 4.049 4.120 -0.003 0.000 0.300 493 V C -0.388 175.704 176.094 -0.003 0.000 1.031 493 V CA 0.747 63.033 62.300 -0.024 0.000 1.210 493 V CB -0.040 31.781 31.823 -0.003 0.000 0.864 493 V HN 0.625 nan 8.190 nan 0.000 0.477 494 D N 6.165 126.563 120.400 -0.003 0.000 2.346 494 D HA 0.037 4.675 4.640 -0.003 0.000 0.267 494 D C 1.121 177.470 176.300 0.082 0.000 1.320 494 D CA 0.085 54.102 54.000 0.028 0.000 0.951 494 D CB 0.948 41.760 40.800 0.020 0.000 1.079 494 D HN 0.698 nan 8.370 nan 0.000 0.509 495 E N 1.784 122.022 120.200 0.064 0.000 2.347 495 E HA -0.076 4.273 4.350 -0.003 0.000 0.196 495 E C 1.490 178.141 176.600 0.086 0.000 1.008 495 E CA 0.590 57.035 56.400 0.074 0.000 0.852 495 E CB 0.010 29.736 29.700 0.043 0.000 0.783 495 E HN 0.489 nan 8.360 nan 0.000 0.505 496 T N 0.721 115.327 114.554 0.088 0.000 3.051 496 T HA -0.154 4.194 4.350 -0.003 0.000 0.269 496 T C 0.623 175.399 174.700 0.128 0.000 1.127 496 T CA 0.118 62.269 62.100 0.084 0.000 1.107 496 T CB -0.398 68.515 68.868 0.074 0.000 0.898 496 T HN 0.110 nan 8.240 nan 0.000 0.517 497 Y N 2.746 123.059 120.300 0.022 0.000 2.802 497 Y HA 0.173 4.721 4.550 -0.004 0.000 0.333 497 Y C 0.077 175.999 175.900 0.036 0.000 1.244 497 Y CA -1.085 57.033 58.100 0.030 0.000 1.558 497 Y CB 0.101 38.580 38.460 0.032 0.000 1.233 497 Y HN -0.089 nan 8.280 nan 0.000 0.547 498 V N 10.573 130.237 119.914 -0.417 0.000 2.259 498 V HA 0.379 4.498 4.120 -0.003 0.000 0.267 498 V C -2.211 173.425 176.094 -0.763 0.000 1.051 498 V CA -2.222 59.815 62.300 -0.438 0.000 0.830 498 V CB 0.202 31.936 31.823 -0.148 0.000 1.080 498 V HN 0.744 nan 8.190 nan 0.000 0.467 499 P HA 0.172 nan 4.420 nan 0.000 0.271 499 P C -1.013 176.235 177.300 -0.087 0.000 1.238 499 P CA -0.149 62.636 63.100 -0.524 0.000 0.794 499 P CB 0.394 31.959 31.700 -0.226 0.000 0.959 500 K N 0.939 121.434 120.400 0.159 0.000 2.562 500 K HA 0.097 4.415 4.320 -0.003 0.000 0.206 500 K C 0.669 177.261 176.600 -0.014 0.000 1.033 500 K CA -0.278 56.078 56.287 0.115 0.000 1.029 500 K CB 0.084 32.684 32.500 0.168 0.000 1.393 500 K HN 0.322 nan 8.250 nan 0.000 0.539 501 E N 2.418 122.604 120.200 -0.023 0.000 3.022 501 E HA -0.329 4.019 4.350 -0.003 0.000 0.210 501 E C -0.754 175.764 176.600 -0.137 0.000 0.881 501 E CA 2.591 58.967 56.400 -0.039 0.000 1.524 501 E CB -0.231 29.471 29.700 0.002 0.000 1.544 501 E HN 0.441 nan 8.360 nan 0.000 0.432 502 F N -0.482 119.264 119.950 -0.340 0.000 2.684 502 F HA 0.327 4.852 4.527 -0.003 0.000 0.329 502 F C -1.547 174.194 175.800 -0.097 0.000 1.094 502 F CA -0.626 57.158 58.000 -0.360 0.000 1.116 502 F CB 0.537 39.389 39.000 -0.245 0.000 1.366 502 F HN 0.093 nan 8.300 nan 0.000 0.567 503 N N 3.755 122.164 118.700 -0.484 0.000 2.520 503 N HA 0.541 5.279 4.740 -0.003 0.000 0.273 503 N C 0.706 176.126 175.510 -0.150 0.000 1.155 503 N CA 0.567 53.510 53.050 -0.179 0.000 0.967 503 N CB 1.799 40.241 38.487 -0.075 0.000 1.092 503 N HN 0.695 nan 8.380 nan 0.000 0.457 504 A N 2.415 125.284 122.820 0.080 0.000 1.897 504 A HA -0.123 4.196 4.320 -0.003 0.000 0.215 504 A C 1.590 179.279 177.584 0.174 0.000 1.181 504 A CA 1.249 53.404 52.037 0.198 0.000 0.620 504 A CB -0.229 18.862 19.000 0.153 0.000 0.821 504 A HN 0.779 nan 8.150 nan 0.000 0.443 505 E N -0.767 119.486 120.200 0.089 0.000 2.075 505 E HA -0.055 4.293 4.350 -0.003 0.000 0.190 505 E C 1.695 178.290 176.600 -0.009 0.000 0.969 505 E CA 1.116 57.551 56.400 0.058 0.000 0.815 505 E CB -0.363 29.341 29.700 0.007 0.000 0.776 505 E HN 0.517 nan 8.360 nan 0.000 0.457 506 T N 0.865 115.348 114.554 -0.118 0.000 3.070 506 T HA -0.144 4.205 4.350 -0.003 0.000 0.270 506 T C 0.629 174.970 174.700 -0.598 0.000 1.175 506 T CA 0.955 62.840 62.100 -0.358 0.000 1.073 506 T CB -0.288 68.314 68.868 -0.443 0.000 0.840 506 T HN 0.080 nan 8.240 nan 0.000 0.576 507 F N 1.127 120.972 119.950 -0.175 0.000 2.698 507 F HA 0.213 4.738 4.527 -0.002 0.000 0.304 507 F C 1.007 176.824 175.800 0.028 0.000 1.108 507 F CA -0.834 57.084 58.000 -0.137 0.000 1.263 507 F CB 0.185 39.228 39.000 0.073 0.000 1.013 507 F HN -0.015 nan 8.300 nan 0.000 0.532 508 T N -1.454 113.177 114.554 0.128 0.000 2.811 508 T HA 0.459 4.808 4.350 -0.003 0.000 0.309 508 T C -0.379 174.497 174.700 0.292 0.000 1.005 508 T CA -0.486 61.809 62.100 0.327 0.000 0.955 508 T CB -0.201 68.840 68.868 0.287 0.000 0.970 508 T HN -0.115 nan 8.240 nan 0.000 0.496 509 F N 2.170 122.391 119.950 0.452 0.000 2.389 509 F HA 0.365 4.891 4.527 -0.001 0.000 0.337 509 F C 1.432 177.519 175.800 0.479 0.000 1.112 509 F CA -0.692 57.585 58.000 0.461 0.000 1.192 509 F CB 0.609 40.006 39.000 0.661 0.000 1.185 509 F HN 0.559 nan 8.300 nan 0.000 0.552 510 H N 0.419 119.550 119.070 0.102 0.000 2.533 510 H HA 0.398 4.952 4.556 -0.003 0.000 0.343 510 H C 0.707 175.537 175.328 -0.829 0.000 1.160 510 H CA -0.294 55.624 56.048 -0.216 0.000 1.218 510 H CB 2.050 31.746 29.762 -0.110 0.000 1.566 510 H HN 0.767 nan 8.280 nan 0.000 0.522 511 A N 1.944 124.196 122.820 -0.946 0.000 1.958 511 A HA -0.254 4.065 4.320 -0.003 0.000 0.221 511 A C 1.817 179.108 177.584 -0.488 0.000 1.178 511 A CA 2.106 53.577 52.037 -0.944 0.000 0.642 511 A CB -0.560 18.190 19.000 -0.417 0.000 0.816 511 A HN 0.908 nan 8.150 nan 0.000 0.453 512 D N -0.093 120.159 120.400 -0.247 0.000 2.389 512 D HA -0.160 4.478 4.640 -0.003 0.000 0.221 512 D C 1.671 177.914 176.300 -0.095 0.000 0.974 512 D CA 1.006 54.936 54.000 -0.117 0.000 0.923 512 D CB -0.531 40.243 40.800 -0.044 0.000 0.892 512 D HN 0.599 nan 8.370 nan 0.000 0.518 513 I N 0.550 121.035 120.570 -0.142 0.000 2.454 513 I HA -0.256 3.912 4.170 -0.003 0.000 0.254 513 I C 1.551 177.671 176.117 0.005 0.000 1.156 513 I CA 0.771 62.059 61.300 -0.020 0.000 1.433 513 I CB -0.001 38.048 38.000 0.083 0.000 1.082 513 I HN 0.075 nan 8.210 nan 0.000 0.432 514 c N 0.551 119.129 118.600 -0.037 0.000 2.432 514 c HA -0.091 4.478 4.570 -0.003 0.000 0.282 514 c C 2.619 176.713 174.090 0.006 0.000 1.388 514 c CA 1.368 57.705 56.329 0.014 0.000 1.777 514 c CB -1.687 40.832 42.510 0.015 0.000 1.882 514 c HN 0.674 nan 8.230 nan 0.000 0.520 515 T N -2.179 112.370 114.554 -0.008 0.000 3.044 515 T HA 0.283 4.632 4.350 -0.003 0.000 0.250 515 T C 0.525 175.230 174.700 0.008 0.000 1.081 515 T CA 0.122 62.222 62.100 -0.001 0.000 1.040 515 T CB -0.097 68.767 68.868 -0.007 0.000 0.962 515 T HN 0.348 nan 8.240 nan 0.000 0.506 516 L N 2.501 123.732 121.223 0.012 0.000 2.479 516 L HA 0.433 4.771 4.340 -0.003 0.000 0.248 516 L C 1.176 178.060 176.870 0.023 0.000 1.205 516 L CA -0.882 53.970 54.840 0.020 0.000 0.817 516 L CB 0.440 42.515 42.059 0.026 0.000 1.162 516 L HN 0.290 nan 8.230 nan 0.000 0.486 517 S N -0.652 115.063 115.700 0.025 0.000 2.614 517 S HA 0.015 4.483 4.470 -0.003 0.000 0.265 517 S C 0.698 175.312 174.600 0.023 0.000 1.303 517 S CA -0.387 57.827 58.200 0.023 0.000 1.000 517 S CB 1.264 64.480 63.200 0.026 0.000 0.935 517 S HN 0.636 nan 8.310 nan 0.000 0.551 518 E N 0.936 121.144 120.200 0.013 0.000 2.409 518 E HA -0.032 4.317 4.350 -0.003 0.000 0.198 518 E C 1.496 178.097 176.600 0.001 0.000 1.024 518 E CA 1.314 57.713 56.400 -0.002 0.000 0.861 518 E CB -0.192 29.496 29.700 -0.020 0.000 0.788 518 E HN 0.741 nan 8.360 nan 0.000 0.521 519 K N 0.023 120.437 120.400 0.024 0.000 1.991 519 K HA -0.066 4.252 4.320 -0.003 0.000 0.207 519 K C 2.132 178.768 176.600 0.060 0.000 1.045 519 K CA 1.517 57.831 56.287 0.044 0.000 0.937 519 K CB -0.105 32.425 32.500 0.049 0.000 0.720 519 K HN 0.112 nan 8.250 nan 0.000 0.438 520 E N 0.622 120.854 120.200 0.053 0.000 2.085 520 E HA -0.196 4.152 4.350 -0.003 0.000 0.194 520 E C 2.126 178.772 176.600 0.077 0.000 0.994 520 E CA 1.014 57.449 56.400 0.058 0.000 0.801 520 E CB -0.038 29.689 29.700 0.045 0.000 0.743 520 E HN 0.159 nan 8.360 nan 0.000 0.453 521 R N 0.793 121.337 120.500 0.073 0.000 2.117 521 R HA -0.221 4.118 4.340 -0.003 0.000 0.243 521 R C 2.187 178.563 176.300 0.127 0.000 1.143 521 R CA 1.688 57.847 56.100 0.098 0.000 0.968 521 R CB 0.026 30.366 30.300 0.066 0.000 0.863 521 R HN 0.261 nan 8.270 nan 0.000 0.444 522 Q N -0.371 119.493 119.800 0.108 0.000 2.172 522 Q HA -0.079 4.260 4.340 -0.003 0.000 0.200 522 Q C 2.057 178.212 176.000 0.259 0.000 0.964 522 Q CA 1.131 57.060 55.803 0.210 0.000 0.855 522 Q CB 0.080 28.931 28.738 0.188 0.000 0.918 522 Q HN 0.399 nan 8.270 nan 0.000 0.444 523 I N 0.501 121.171 120.570 0.166 0.000 2.394 523 I HA -0.240 3.928 4.170 -0.003 0.000 0.251 523 I C 2.129 178.308 176.117 0.104 0.000 1.136 523 I CA 0.806 62.178 61.300 0.119 0.000 1.425 523 I CB -0.013 38.032 38.000 0.075 0.000 1.079 523 I HN 0.064 nan 8.210 nan 0.000 0.425 524 K N 1.015 121.492 120.400 0.128 0.000 2.031 524 K HA -0.079 4.239 4.320 -0.003 0.000 0.205 524 K C 2.040 178.765 176.600 0.207 0.000 1.049 524 K CA 1.187 57.549 56.287 0.125 0.000 0.939 524 K CB -0.222 32.378 32.500 0.167 0.000 0.717 524 K HN 0.279 nan 8.250 nan 0.000 0.438 525 K N 1.051 121.628 120.400 0.295 0.000 2.009 525 K HA -0.179 4.139 4.320 -0.003 0.000 0.210 525 K C 2.376 179.125 176.600 0.247 0.000 1.049 525 K CA 1.579 58.069 56.287 0.338 0.000 0.929 525 K CB -0.134 32.577 32.500 0.352 0.000 0.714 525 K HN 0.151 nan 8.250 nan 0.000 0.440 526 Q N 0.048 119.971 119.800 0.206 0.000 2.096 526 Q HA -0.159 4.179 4.340 -0.003 0.000 0.204 526 Q C 2.105 178.143 176.000 0.064 0.000 0.982 526 Q CA 2.073 57.946 55.803 0.117 0.000 0.850 526 Q CB -0.140 28.654 28.738 0.093 0.000 0.901 526 Q HN 0.330 nan 8.270 nan 0.000 0.422 527 T N 0.377 114.952 114.554 0.036 0.000 2.720 527 T HA -0.193 4.155 4.350 -0.003 0.000 0.268 527 T C 1.764 176.422 174.700 -0.069 0.000 1.037 527 T CA 1.298 63.375 62.100 -0.038 0.000 1.144 527 T CB -0.284 68.532 68.868 -0.087 0.000 0.864 527 T HN 0.418 nan 8.240 nan 0.000 0.444 528 A N 0.956 123.750 122.820 -0.044 0.000 2.066 528 A HA 0.091 4.410 4.320 -0.003 0.000 0.218 528 A C 2.159 179.830 177.584 0.145 0.000 1.157 528 A CA 0.744 52.754 52.037 -0.045 0.000 0.670 528 A CB -0.561 18.443 19.000 0.006 0.000 0.804 528 A HN 0.383 nan 8.150 nan 0.000 0.453 529 L N 0.043 121.356 121.223 0.149 0.000 2.017 529 L HA -0.089 4.250 4.340 -0.003 0.000 0.208 529 L C 2.354 179.283 176.870 0.098 0.000 1.073 529 L CA 1.957 56.897 54.840 0.166 0.000 0.745 529 L CB -0.976 41.156 42.059 0.122 0.000 0.894 529 L HN 0.145 nan 8.230 nan 0.000 0.432 530 V N 0.243 120.177 119.914 0.033 0.000 2.324 530 V HA -0.284 3.835 4.120 -0.003 0.000 0.250 530 V C 2.730 178.795 176.094 -0.048 0.000 1.060 530 V CA 1.917 64.209 62.300 -0.014 0.000 1.042 530 V CB -0.695 31.105 31.823 -0.039 0.000 0.650 530 V HN 0.474 nan 8.190 nan 0.000 0.450 531 E N -0.182 119.978 120.200 -0.067 0.000 2.077 531 E HA -0.154 4.194 4.350 -0.003 0.000 0.193 531 E C 2.241 178.755 176.600 -0.144 0.000 0.989 531 E CA 0.985 57.296 56.400 -0.149 0.000 0.800 531 E CB -0.416 29.145 29.700 -0.231 0.000 0.746 531 E HN 0.500 nan 8.360 nan 0.000 0.452 532 L N 0.414 121.735 121.223 0.164 0.000 1.971 532 L HA -0.226 4.112 4.340 -0.003 0.000 0.215 532 L C 2.545 179.468 176.870 0.088 0.000 1.072 532 L CA 1.328 56.308 54.840 0.233 0.000 0.758 532 L CB -0.769 41.461 42.059 0.285 0.000 0.889 532 L HN 0.035 nan 8.230 nan 0.000 0.433 533 V N -0.182 119.768 119.914 0.060 0.000 2.380 533 V HA -0.296 3.822 4.120 -0.003 0.000 0.251 533 V C 2.090 178.216 176.094 0.053 0.000 1.063 533 V CA 1.643 63.975 62.300 0.054 0.000 1.055 533 V CB -0.639 31.197 31.823 0.021 0.000 0.657 533 V HN 0.428 nan 8.190 nan 0.000 0.455 534 K N -0.703 119.662 120.400 -0.059 0.000 2.632 534 K HA -0.029 4.289 4.320 -0.003 0.000 0.196 534 K C 1.010 177.716 176.600 0.175 0.000 1.023 534 K CA 0.539 56.847 56.287 0.036 0.000 1.098 534 K CB -0.124 32.335 32.500 -0.069 0.000 0.862 534 K HN 0.638 nan 8.250 nan 0.000 0.504 535 H N -0.685 118.555 119.070 0.284 0.000 2.602 535 H HA 0.131 4.684 4.556 -0.003 0.000 0.222 535 H C 0.288 175.722 175.328 0.177 0.000 0.886 535 H CA 0.096 56.276 56.048 0.221 0.000 1.008 535 H CB 0.731 30.636 29.762 0.239 0.000 1.380 535 H HN -0.047 nan 8.280 nan 0.000 0.417 536 K N 1.916 122.483 120.400 0.277 0.000 2.762 536 K HA 0.248 4.566 4.320 -0.003 0.000 0.180 536 K C -2.508 174.188 176.600 0.159 0.000 1.067 536 K CA -1.593 54.807 56.287 0.188 0.000 0.973 536 K CB 1.477 34.073 32.500 0.159 0.000 1.290 536 K HN -0.072 nan 8.250 nan 0.000 0.604 537 P HA -0.020 nan 4.420 nan 0.000 0.214 537 P C 0.731 178.096 177.300 0.109 0.000 1.167 537 P CA 0.639 63.830 63.100 0.151 0.000 0.882 537 P CB 0.288 32.126 31.700 0.230 0.000 0.777 538 K N -0.178 120.287 120.400 0.110 0.000 2.037 538 K HA -0.199 4.119 4.320 -0.003 0.000 0.229 538 K C 0.760 177.396 176.600 0.059 0.000 1.040 538 K CA 1.884 58.216 56.287 0.076 0.000 0.981 538 K CB -0.829 31.709 32.500 0.064 0.000 0.749 538 K HN 0.127 nan 8.250 nan 0.000 0.451 539 A N 1.223 124.077 122.820 0.058 0.000 2.328 539 A HA 0.349 4.667 4.320 -0.003 0.000 0.318 539 A C -0.817 176.798 177.584 0.052 0.000 1.347 539 A CA -0.533 51.532 52.037 0.047 0.000 0.842 539 A CB 0.766 19.788 19.000 0.037 0.000 1.148 539 A HN 0.289 nan 8.150 nan 0.000 0.499 540 T N 0.557 115.141 114.554 0.050 0.000 3.160 540 T HA 0.379 4.728 4.350 -0.003 0.000 0.346 540 T C -0.143 174.584 174.700 0.045 0.000 1.027 540 T CA -0.825 61.307 62.100 0.053 0.000 1.287 540 T CB 0.625 69.531 68.868 0.063 0.000 0.997 540 T HN 0.493 nan 8.240 nan 0.000 0.518 541 K N 1.739 122.163 120.400 0.040 0.000 2.842 541 K HA 0.279 4.598 4.320 -0.003 0.000 0.310 541 K C 1.800 178.423 176.600 0.039 0.000 0.992 541 K CA -0.320 55.988 56.287 0.036 0.000 1.207 541 K CB 0.552 33.070 32.500 0.029 0.000 1.478 541 K HN 0.705 nan 8.250 nan 0.000 0.601 542 E N 0.899 121.120 120.200 0.036 0.000 2.160 542 E HA -0.302 4.046 4.350 -0.003 0.000 0.195 542 E C 1.772 178.394 176.600 0.038 0.000 0.991 542 E CA 1.746 58.169 56.400 0.038 0.000 0.810 542 E CB -0.462 29.257 29.700 0.032 0.000 0.742 542 E HN 0.527 nan 8.360 nan 0.000 0.466 543 Q N 1.146 120.966 119.800 0.032 0.000 2.197 543 Q HA -0.253 4.085 4.340 -0.003 0.000 0.211 543 Q C 2.255 178.278 176.000 0.039 0.000 0.993 543 Q CA 1.954 57.775 55.803 0.029 0.000 0.883 543 Q CB -0.582 28.171 28.738 0.025 0.000 0.916 543 Q HN 0.444 nan 8.270 nan 0.000 0.418 544 L N 0.614 121.868 121.223 0.052 0.000 2.005 544 L HA -0.147 4.191 4.340 -0.003 0.000 0.207 544 L C 2.763 179.678 176.870 0.075 0.000 1.072 544 L CA 1.858 56.741 54.840 0.071 0.000 0.744 544 L CB -0.495 41.610 42.059 0.077 0.000 0.895 544 L HN 0.332 nan 8.230 nan 0.000 0.433 545 K N -0.038 120.401 120.400 0.066 0.000 2.286 545 K HA -0.199 4.119 4.320 -0.003 0.000 0.203 545 K C 1.823 178.462 176.600 0.065 0.000 1.045 545 K CA 1.238 57.567 56.287 0.069 0.000 0.935 545 K CB 0.073 32.610 32.500 0.061 0.000 0.737 545 K HN 0.335 nan 8.250 nan 0.000 0.460 546 A N -0.113 122.736 122.820 0.048 0.000 1.943 546 A HA 0.009 4.327 4.320 -0.003 0.000 0.213 546 A C 1.991 179.582 177.584 0.012 0.000 1.181 546 A CA 0.641 52.695 52.037 0.029 0.000 0.653 546 A CB -0.014 18.995 19.000 0.015 0.000 0.833 546 A HN 0.126 nan 8.150 nan 0.000 0.451 547 V N -0.170 119.753 119.914 0.016 0.000 2.667 547 V HA -0.222 3.897 4.120 -0.003 0.000 0.252 547 V C 2.491 178.588 176.094 0.005 0.000 1.065 547 V CA 2.055 64.339 62.300 -0.026 0.000 1.083 547 V CB -0.730 31.098 31.823 0.009 0.000 0.692 547 V HN 0.683 nan 8.190 nan 0.000 0.468 548 M N 0.671 120.342 119.600 0.119 0.000 2.132 548 M HA -0.125 4.353 4.480 -0.003 0.000 0.263 548 M C 1.705 178.121 176.300 0.193 0.000 1.065 548 M CA 1.822 57.260 55.300 0.230 0.000 1.122 548 M CB -0.515 32.209 32.600 0.207 0.000 1.365 548 M HN 0.226 nan 8.290 nan 0.000 0.411 549 D N 0.233 120.702 120.400 0.116 0.000 2.221 549 D HA -0.197 4.441 4.640 -0.003 0.000 0.204 549 D C 1.521 177.852 176.300 0.052 0.000 0.982 549 D CA 1.673 55.731 54.000 0.097 0.000 0.857 549 D CB -0.501 40.339 40.800 0.067 0.000 0.934 549 D HN 0.614 nan 8.370 nan 0.000 0.475 550 D N -0.319 120.060 120.400 -0.036 0.000 2.097 550 D HA -0.181 4.458 4.640 -0.003 0.000 0.195 550 D C 1.807 178.083 176.300 -0.039 0.000 0.989 550 D CA 0.799 54.728 54.000 -0.118 0.000 0.827 550 D CB -0.196 40.418 40.800 -0.309 0.000 0.966 550 D HN -0.003 nan 8.370 nan 0.000 0.456 551 F N 0.895 120.884 119.950 0.066 0.000 2.202 551 F HA 0.015 4.543 4.527 0.002 0.000 0.301 551 F C 2.504 178.322 175.800 0.031 0.000 1.082 551 F CA 0.954 58.987 58.000 0.055 0.000 1.313 551 F CB -1.001 38.018 39.000 0.032 0.000 1.024 551 F HN 0.063 nan 8.300 nan 0.000 0.495 552 A N -0.242 122.714 122.820 0.227 0.000 1.898 552 A HA 0.016 4.335 4.320 -0.003 0.000 0.216 552 A C 2.457 180.077 177.584 0.060 0.000 1.181 552 A CA 1.607 53.722 52.037 0.129 0.000 0.620 552 A CB -1.199 17.881 19.000 0.133 0.000 0.819 552 A HN 0.284 nan 8.150 nan 0.000 0.442 553 A N -0.718 122.143 122.820 0.067 0.000 1.855 553 A HA -0.026 4.292 4.320 -0.003 0.000 0.215 553 A C 2.027 179.622 177.584 0.018 0.000 1.191 553 A CA 1.642 53.698 52.037 0.032 0.000 0.613 553 A CB -0.904 18.114 19.000 0.030 0.000 0.829 553 A HN 0.776 nan 8.150 nan 0.000 0.442 554 F N 1.102 120.990 119.950 -0.104 0.000 2.115 554 F HA -0.218 4.306 4.527 -0.005 0.000 0.300 554 F C 2.102 177.731 175.800 -0.286 0.000 1.092 554 F CA 2.083 59.978 58.000 -0.174 0.000 1.245 554 F CB -0.575 38.350 39.000 -0.124 0.000 0.995 554 F HN 0.028 nan 8.300 nan 0.000 0.481 555 V N 0.773 120.391 119.914 -0.493 0.000 2.283 555 V HA -0.207 3.911 4.120 -0.003 0.000 0.243 555 V C 2.441 178.369 176.094 -0.277 0.000 1.039 555 V CA 2.058 64.046 62.300 -0.519 0.000 1.016 555 V CB -0.735 30.991 31.823 -0.161 0.000 0.650 555 V HN 0.252 nan 8.190 nan 0.000 0.449 556 E N 0.475 120.592 120.200 -0.138 0.000 2.130 556 E HA -0.279 4.069 4.350 -0.003 0.000 0.196 556 E C 2.071 178.615 176.600 -0.094 0.000 0.998 556 E CA 1.487 57.842 56.400 -0.075 0.000 0.806 556 E CB -0.212 29.465 29.700 -0.039 0.000 0.738 556 E HN 0.603 nan 8.360 nan 0.000 0.459 557 K N 0.715 121.034 120.400 -0.137 0.000 1.965 557 K HA -0.079 4.239 4.320 -0.003 0.000 0.214 557 K C 2.242 178.744 176.600 -0.164 0.000 1.042 557 K CA 1.472 57.688 56.287 -0.118 0.000 0.950 557 K CB -0.299 32.149 32.500 -0.087 0.000 0.733 557 K HN 0.087 nan 8.250 nan 0.000 0.441 558 c N 0.987 119.376 118.600 -0.351 0.000 2.409 558 c HA -0.090 4.478 4.570 -0.003 0.000 0.288 558 c C 2.729 176.769 174.090 -0.084 0.000 1.395 558 c CA 0.298 56.404 56.329 -0.370 0.000 1.792 558 c CB -1.339 40.647 42.510 -0.873 0.000 1.847 558 c HN 0.638 nan 8.230 nan 0.000 0.534 559 c N 0.228 118.814 118.600 -0.024 0.000 2.472 559 c HA -0.005 4.564 4.570 -0.003 0.000 0.278 559 c C 1.534 175.663 174.090 0.065 0.000 1.447 559 c CA 0.958 57.373 56.329 0.143 0.000 1.773 559 c CB -1.179 41.396 42.510 0.108 0.000 1.793 559 c HN 0.606 nan 8.230 nan 0.000 0.544 560 K N -0.475 119.936 120.400 0.018 0.000 3.239 560 K HA 0.314 4.632 4.320 -0.003 0.000 0.204 560 K C 0.371 176.976 176.600 0.008 0.000 1.126 560 K CA -0.027 56.268 56.287 0.013 0.000 0.948 560 K CB 0.636 33.137 32.500 0.002 0.000 0.818 560 K HN 0.161 nan 8.250 nan 0.000 0.480 561 A N 0.913 123.743 122.820 0.017 0.000 2.387 561 A HA 0.103 4.421 4.320 -0.003 0.000 0.234 561 A C -0.005 177.593 177.584 0.024 0.000 1.253 561 A CA -0.054 51.992 52.037 0.015 0.000 0.894 561 A CB 0.005 19.013 19.000 0.013 0.000 0.963 561 A HN 0.432 nan 8.150 nan 0.000 0.508 562 D N 0.890 121.305 120.400 0.026 0.000 3.018 562 D HA -0.170 4.468 4.640 -0.003 0.000 0.224 562 D C -0.007 176.309 176.300 0.028 0.000 1.185 562 D CA 1.592 55.606 54.000 0.024 0.000 0.858 562 D CB -1.405 39.405 40.800 0.018 0.000 1.112 562 D HN 0.834 nan 8.370 nan 0.000 0.415 563 D N 0.003 120.426 120.400 0.038 0.000 2.369 563 D HA 0.044 4.682 4.640 -0.003 0.000 0.241 563 D C 0.602 176.926 176.300 0.039 0.000 1.271 563 D CA -0.115 53.911 54.000 0.044 0.000 0.942 563 D CB 0.804 41.642 40.800 0.063 0.000 1.129 563 D HN -0.161 nan 8.370 nan 0.000 0.476 564 K N 0.159 120.581 120.400 0.038 0.000 3.129 564 K HA 0.124 4.442 4.320 -0.003 0.000 0.224 564 K C -0.179 176.437 176.600 0.027 0.000 1.249 564 K CA -0.342 55.961 56.287 0.027 0.000 1.177 564 K CB -0.036 32.479 32.500 0.024 0.000 1.393 564 K HN 0.568 nan 8.250 nan 0.000 0.459 565 E N -1.425 118.796 120.200 0.035 0.000 3.916 565 E HA -0.250 4.098 4.350 -0.003 0.000 0.331 565 E C 0.571 177.217 176.600 0.078 0.000 0.729 565 E CA 1.407 57.824 56.400 0.028 0.000 1.222 565 E CB -1.459 28.215 29.700 -0.042 0.000 1.633 565 E HN 0.444 nan 8.360 nan 0.000 0.437 566 T N 0.316 114.917 114.554 0.078 0.000 2.474 566 T HA -0.337 4.012 4.350 -0.003 0.000 0.254 566 T C 2.167 176.945 174.700 0.131 0.000 1.191 566 T CA 1.871 64.024 62.100 0.089 0.000 1.231 566 T CB -1.122 67.786 68.868 0.066 0.000 0.865 566 T HN 0.640 nan 8.240 nan 0.000 0.398 567 c N 0.922 119.594 118.600 0.119 0.000 2.397 567 c HA -0.102 4.466 4.570 -0.003 0.000 0.286 567 c C 2.366 176.572 174.090 0.192 0.000 1.308 567 c CA 0.242 56.648 56.329 0.127 0.000 1.805 567 c CB -2.231 40.322 42.510 0.072 0.000 1.952 567 c HN 0.404 nan 8.230 nan 0.000 0.518 568 F N 2.086 122.099 119.950 0.106 0.000 2.113 568 F HA 0.102 4.629 4.527 0.000 0.000 0.297 568 F C 2.611 178.611 175.800 0.333 0.000 1.103 568 F CA 1.982 60.066 58.000 0.141 0.000 1.248 568 F CB -0.619 38.380 39.000 -0.003 0.000 0.999 568 F HN 0.295 nan 8.300 nan 0.000 0.475 569 A N -0.326 122.734 122.820 0.399 0.000 1.855 569 A HA -0.088 4.230 4.320 -0.003 0.000 0.213 569 A C 2.109 179.843 177.584 0.250 0.000 1.195 569 A CA 1.355 53.577 52.037 0.308 0.000 0.610 569 A CB -0.671 18.433 19.000 0.173 0.000 0.837 569 A HN 0.293 nan 8.150 nan 0.000 0.444 570 E N 0.282 120.595 120.200 0.189 0.000 2.153 570 E HA -0.161 4.187 4.350 -0.003 0.000 0.194 570 E C 1.818 178.489 176.600 0.118 0.000 0.988 570 E CA 1.028 57.508 56.400 0.133 0.000 0.811 570 E CB -0.253 29.507 29.700 0.101 0.000 0.746 570 E HN 0.575 nan 8.360 nan 0.000 0.466 571 E N 0.145 120.444 120.200 0.165 0.000 2.076 571 E HA -0.050 4.299 4.350 -0.003 0.000 0.190 571 E C 2.200 178.771 176.600 -0.047 0.000 0.979 571 E CA 0.898 57.361 56.400 0.105 0.000 0.807 571 E CB -0.551 29.305 29.700 0.260 0.000 0.761 571 E HN 0.329 nan 8.360 nan 0.000 0.454 572 G N 1.828 110.633 108.800 0.008 0.000 2.476 572 G HA2 -0.351 3.608 3.960 -0.003 0.000 0.218 572 G HA3 -0.351 3.608 3.960 -0.003 0.000 0.218 572 G C 1.742 176.665 174.900 0.037 0.000 1.164 572 G CA 1.441 46.490 45.100 -0.085 0.000 0.768 572 G HN 0.216 nan 8.290 nan 0.000 0.560 573 K N 0.565 121.021 120.400 0.095 0.000 2.152 573 K HA -0.044 4.274 4.320 -0.003 0.000 0.206 573 K C 2.381 178.999 176.600 0.029 0.000 1.048 573 K CA 1.143 57.482 56.287 0.086 0.000 0.933 573 K CB -0.019 32.535 32.500 0.091 0.000 0.721 573 K HN 0.146 nan 8.250 nan 0.000 0.447 574 K N -0.048 120.349 120.400 -0.005 0.000 2.137 574 K HA 0.085 4.403 4.320 -0.003 0.000 0.202 574 K C 1.996 178.549 176.600 -0.078 0.000 1.052 574 K CA 0.818 57.084 56.287 -0.036 0.000 0.961 574 K CB -0.071 32.410 32.500 -0.031 0.000 0.741 574 K HN 0.212 nan 8.250 nan 0.000 0.452 575 L N 1.509 122.660 121.223 -0.120 0.000 2.217 575 L HA -0.082 4.256 4.340 -0.003 0.000 0.211 575 L C 2.335 179.139 176.870 -0.110 0.000 1.107 575 L CA 0.680 55.410 54.840 -0.184 0.000 0.783 575 L CB -0.803 41.041 42.059 -0.359 0.000 0.919 575 L HN -0.080 nan 8.230 nan 0.000 0.442 576 V N -2.874 117.038 119.914 -0.003 0.000 2.809 576 V HA -0.022 4.096 4.120 -0.003 0.000 0.256 576 V C 2.468 178.478 176.094 -0.140 0.000 1.080 576 V CA 1.344 63.684 62.300 0.066 0.000 1.102 576 V CB -0.860 31.107 31.823 0.241 0.000 0.705 576 V HN 0.274 nan 8.190 nan 0.000 0.475 577 A N 0.519 123.262 122.820 -0.127 0.000 1.975 577 A HA 0.378 4.697 4.320 -0.003 0.000 0.215 577 A C 2.419 179.903 177.584 -0.166 0.000 1.170 577 A CA 1.469 53.405 52.037 -0.168 0.000 0.656 577 A CB -0.711 18.225 19.000 -0.106 0.000 0.821 577 A HN 0.804 nan 8.150 nan 0.000 0.449 578 A N 0.595 123.330 122.820 -0.142 0.000 1.898 578 A HA -0.079 4.239 4.320 -0.003 0.000 0.216 578 A C 2.480 179.976 177.584 -0.146 0.000 1.181 578 A CA 2.226 54.181 52.037 -0.137 0.000 0.620 578 A CB -0.866 18.046 19.000 -0.147 0.000 0.819 578 A HN 0.828 nan 8.150 nan 0.000 0.442 579 S N -1.021 114.584 115.700 -0.159 0.000 2.406 579 S HA -0.159 4.310 4.470 -0.003 0.000 0.228 579 S C 1.992 176.508 174.600 -0.141 0.000 1.020 579 S CA 1.097 59.222 58.200 -0.125 0.000 0.965 579 S CB -0.351 62.814 63.200 -0.059 0.000 0.798 579 S HN 0.541 nan 8.310 nan 0.000 0.488 580 Q N 1.612 121.252 119.800 -0.267 0.000 2.079 580 Q HA 0.029 4.368 4.340 -0.003 0.000 0.200 580 Q C 2.343 178.223 176.000 -0.199 0.000 0.974 580 Q CA 1.628 57.220 55.803 -0.352 0.000 0.840 580 Q CB -0.602 27.769 28.738 -0.611 0.000 0.898 580 Q HN 0.649 nan 8.270 nan 0.000 0.430 581 A N 0.994 123.715 122.820 -0.165 0.000 1.858 581 A HA 0.097 4.415 4.320 -0.003 0.000 0.216 581 A C 1.470 179.007 177.584 -0.078 0.000 1.190 581 A CA 1.247 53.218 52.037 -0.111 0.000 0.617 581 A CB -0.870 18.070 19.000 -0.099 0.000 0.827 581 A HN 0.448 nan 8.150 nan 0.000 0.443 582 A N 0.000 122.775 122.820 -0.074 0.000 2.254 582 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 582 A CA 0.000 52.009 52.037 -0.047 0.000 0.836 582 A CB 0.000 18.970 19.000 -0.050 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486