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 2bxd_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 0.000 174.665 174.600 0.108 0.000 1.055 5 S CA 0.000 58.238 58.200 0.064 0.000 1.107 5 S CB 0.000 63.226 63.200 0.044 0.000 0.593 6 E N 2.673 122.933 120.200 0.100 0.000 2.132 6 E HA 0.173 4.466 4.350 -0.094 0.000 0.193 6 E C 1.725 178.423 176.600 0.163 0.000 0.951 6 E CA 1.553 58.034 56.400 0.136 0.000 0.843 6 E CB -0.277 29.467 29.700 0.073 0.000 0.807 6 E HN 0.495 nan 8.360 nan 0.000 0.467 7 V N 1.499 121.479 119.914 0.110 0.000 2.380 7 V HA -0.308 3.755 4.120 -0.094 0.000 0.251 7 V C 2.360 178.593 176.094 0.231 0.000 1.063 7 V CA 1.969 64.376 62.300 0.178 0.000 1.055 7 V CB -1.129 30.692 31.823 -0.002 0.000 0.657 7 V HN 0.409 nan 8.190 nan 0.000 0.455 8 A N -0.643 122.253 122.820 0.127 0.000 1.854 8 A HA -0.239 4.024 4.320 -0.094 0.000 0.214 8 A C 2.224 179.949 177.584 0.236 0.000 1.192 8 A CA 1.721 53.821 52.037 0.105 0.000 0.611 8 A CB -0.862 18.157 19.000 0.032 0.000 0.832 8 A HN 0.642 nan 8.150 nan 0.000 0.442 9 H N 0.695 119.830 119.070 0.110 0.000 2.255 9 H HA -0.188 4.312 4.556 -0.093 0.000 0.290 9 H C 2.146 177.567 175.328 0.154 0.000 1.087 9 H CA 2.411 58.525 56.048 0.110 0.000 1.213 9 H CB -0.189 29.625 29.762 0.087 0.000 1.349 9 H HN 0.273 nan 8.280 nan 0.000 0.487 10 R N -0.401 120.324 120.500 0.374 0.000 2.096 10 R HA -0.129 4.154 4.340 -0.094 0.000 0.235 10 R C 2.590 179.111 176.300 0.369 0.000 1.127 10 R CA 0.974 57.249 56.100 0.292 0.000 0.968 10 R CB -1.549 28.886 30.300 0.224 0.000 0.861 10 R HN 0.348 nan 8.270 nan 0.000 0.440 11 F N 2.273 122.381 119.950 0.263 0.000 2.069 11 F HA -0.291 4.181 4.527 -0.093 0.000 0.298 11 F C 2.793 178.637 175.800 0.074 0.000 1.113 11 F CA 2.741 60.793 58.000 0.087 0.000 1.214 11 F CB -0.562 38.312 39.000 -0.212 0.000 0.978 11 F HN 0.115 nan 8.300 nan 0.000 0.474 12 K N 0.094 120.719 120.400 0.375 0.000 2.074 12 K HA -0.213 4.051 4.320 -0.094 0.000 0.209 12 K C 1.822 178.520 176.600 0.162 0.000 1.048 12 K CA 2.130 58.562 56.287 0.242 0.000 0.926 12 K CB -1.452 31.145 32.500 0.162 0.000 0.713 12 K HN 0.520 nan 8.250 nan 0.000 0.444 13 D N 0.210 120.718 120.400 0.180 0.000 2.084 13 D HA -0.038 4.546 4.640 -0.094 0.000 0.196 13 D C 2.078 178.433 176.300 0.092 0.000 0.985 13 D CA 1.523 55.607 54.000 0.141 0.000 0.826 13 D CB 0.057 40.966 40.800 0.181 0.000 0.978 13 D HN 0.434 nan 8.370 nan 0.000 0.456 14 L N 0.105 121.377 121.223 0.081 0.000 2.162 14 L HA 0.167 4.450 4.340 -0.094 0.000 0.205 14 L C 1.427 178.285 176.870 -0.020 0.000 1.086 14 L CA 0.547 55.410 54.840 0.038 0.000 0.778 14 L CB -0.423 41.670 42.059 0.057 0.000 0.928 14 L HN 0.102 nan 8.230 nan 0.000 0.446 15 G N 0.240 108.973 108.800 -0.112 0.000 2.661 15 G HA2 -0.261 3.642 3.960 -0.094 0.000 0.685 15 G HA3 -0.261 3.642 3.960 -0.094 0.000 0.685 15 G C 0.178 174.831 174.900 -0.412 0.000 1.298 15 G CA 0.073 45.067 45.100 -0.178 0.000 0.855 15 G HN 0.212 nan 8.290 nan 0.000 0.560 16 E N -0.370 119.642 120.200 -0.314 0.000 2.017 16 E HA -0.127 4.166 4.350 -0.094 0.000 0.193 16 E C 2.084 178.639 176.600 -0.076 0.000 0.997 16 E CA 1.867 58.108 56.400 -0.264 0.000 0.804 16 E CB -0.202 29.503 29.700 0.009 0.000 0.757 16 E HN 0.639 nan 8.360 nan 0.000 0.448 17 E N -0.093 120.099 120.200 -0.013 0.000 2.026 17 E HA -0.296 3.998 4.350 -0.094 0.000 0.206 17 E C 1.970 178.595 176.600 0.042 0.000 1.028 17 E CA 1.837 58.256 56.400 0.032 0.000 0.845 17 E CB -0.156 29.566 29.700 0.036 0.000 0.772 17 E HN 0.275 nan 8.360 nan 0.000 0.462 18 N N 0.056 118.772 118.700 0.026 0.000 2.120 18 N HA -0.178 4.505 4.740 -0.094 0.000 0.188 18 N C 1.716 177.247 175.510 0.035 0.000 1.024 18 N CA 1.103 54.170 53.050 0.028 0.000 0.852 18 N CB -0.723 37.776 38.487 0.020 0.000 1.003 18 N HN 0.216 nan 8.380 nan 0.000 0.424 19 F N 2.181 122.040 119.950 -0.152 0.000 2.120 19 F HA -0.179 4.293 4.527 -0.091 0.000 0.300 19 F C 2.160 177.931 175.800 -0.048 0.000 1.095 19 F CA 1.566 59.473 58.000 -0.155 0.000 1.249 19 F CB -0.083 38.657 39.000 -0.433 0.000 0.995 19 F HN -0.078 nan 8.300 nan 0.000 0.480 20 K N -0.168 120.391 120.400 0.265 0.000 2.097 20 K HA -0.106 4.157 4.320 -0.094 0.000 0.205 20 K C 2.282 178.935 176.600 0.088 0.000 1.050 20 K CA 1.023 57.438 56.287 0.213 0.000 0.938 20 K CB -0.422 32.183 32.500 0.175 0.000 0.718 20 K HN 0.379 nan 8.250 nan 0.000 0.442 21 A N 1.272 124.126 122.820 0.058 0.000 1.854 21 A HA -0.104 4.160 4.320 -0.094 0.000 0.214 21 A C 2.081 179.665 177.584 0.000 0.000 1.192 21 A CA 1.025 53.085 52.037 0.039 0.000 0.611 21 A CB -0.625 18.399 19.000 0.040 0.000 0.832 21 A HN 0.166 nan 8.150 nan 0.000 0.442 22 L N -0.263 120.935 121.223 -0.042 0.000 2.042 22 L HA -0.192 4.092 4.340 -0.094 0.000 0.210 22 L C 2.451 179.278 176.870 -0.072 0.000 1.076 22 L CA 1.226 56.015 54.840 -0.084 0.000 0.749 22 L CB -0.566 41.415 42.059 -0.130 0.000 0.893 22 L HN 0.253 nan 8.230 nan 0.000 0.432 23 V N -0.343 119.539 119.914 -0.054 0.000 2.667 23 V HA -0.231 3.832 4.120 -0.094 0.000 0.252 23 V C 2.253 178.534 176.094 0.311 0.000 1.065 23 V CA 1.200 63.602 62.300 0.169 0.000 1.083 23 V CB -0.254 31.674 31.823 0.174 0.000 0.692 23 V HN 0.324 nan 8.190 nan 0.000 0.468 24 L N 0.373 121.676 121.223 0.133 0.000 2.005 24 L HA -0.100 4.183 4.340 -0.094 0.000 0.207 24 L C 2.202 179.129 176.870 0.096 0.000 1.072 24 L CA 1.914 56.825 54.840 0.117 0.000 0.744 24 L CB -0.573 41.537 42.059 0.085 0.000 0.895 24 L HN 0.207 nan 8.230 nan 0.000 0.433 25 I N 0.113 120.691 120.570 0.014 0.000 2.118 25 I HA -0.373 3.740 4.170 -0.094 0.000 0.241 25 I C 2.667 178.714 176.117 -0.117 0.000 1.070 25 I CA 1.500 62.756 61.300 -0.074 0.000 1.327 25 I CB -0.864 37.074 38.000 -0.103 0.000 1.034 25 I HN 0.428 nan 8.210 nan 0.000 0.405 26 A N 0.710 123.460 122.820 -0.117 0.000 1.883 26 A HA -0.234 4.030 4.320 -0.094 0.000 0.217 26 A C 2.128 179.568 177.584 -0.240 0.000 1.186 26 A CA 1.780 53.645 52.037 -0.287 0.000 0.624 26 A CB -1.085 17.697 19.000 -0.364 0.000 0.822 26 A HN 0.348 nan 8.150 nan 0.000 0.444 27 F N 0.008 119.911 119.950 -0.078 0.000 2.146 27 F HA -0.062 4.408 4.527 -0.095 0.000 0.298 27 F C 2.795 178.490 175.800 -0.175 0.000 1.096 27 F CA 1.085 59.093 58.000 0.013 0.000 1.275 27 F CB -0.477 38.597 39.000 0.124 0.000 1.008 27 F HN 0.257 nan 8.300 nan 0.000 0.480 28 A N -0.551 122.170 122.820 -0.165 0.000 1.933 28 A HA -0.205 4.058 4.320 -0.094 0.000 0.218 28 A C 2.072 179.553 177.584 -0.171 0.000 1.175 28 A CA 1.460 53.322 52.037 -0.291 0.000 0.628 28 A CB -0.668 18.218 19.000 -0.191 0.000 0.814 28 A HN 0.466 nan 8.150 nan 0.000 0.444 29 Q N -2.219 117.457 119.800 -0.207 0.000 2.378 29 Q HA -0.082 4.201 4.340 -0.094 0.000 0.205 29 Q C 1.445 177.311 176.000 -0.223 0.000 0.954 29 Q CA 0.927 56.572 55.803 -0.263 0.000 0.901 29 Q CB -0.082 28.420 28.738 -0.392 0.000 0.981 29 Q HN 0.805 nan 8.270 nan 0.000 0.483 30 Y N -0.100 120.100 120.300 -0.167 0.000 2.301 30 Y HA 0.110 4.607 4.550 -0.088 0.000 0.295 30 Y C 0.937 176.805 175.900 -0.053 0.000 1.126 30 Y CA 0.417 58.411 58.100 -0.175 0.000 1.154 30 Y CB 0.610 38.848 38.460 -0.370 0.000 1.075 30 Y HN -0.076 nan 8.280 nan 0.000 0.534 31 L N 1.199 122.551 121.223 0.215 0.000 2.506 31 L HA 0.249 4.532 4.340 -0.094 0.000 0.247 31 L C 0.681 177.704 176.870 0.255 0.000 1.141 31 L CA -0.147 54.835 54.840 0.236 0.000 0.973 31 L CB 0.886 43.120 42.059 0.291 0.000 1.319 31 L HN 0.088 nan 8.230 nan 0.000 0.455 32 Q N 0.446 120.329 119.800 0.138 0.000 2.297 32 Q HA -0.236 4.047 4.340 -0.094 0.000 0.208 32 Q C 2.426 178.497 176.000 0.118 0.000 0.981 32 Q CA 2.212 58.060 55.803 0.076 0.000 0.876 32 Q CB 0.065 28.808 28.738 0.008 0.000 0.921 32 Q HN 0.819 nan 8.270 nan 0.000 0.446 33 Q N -0.069 119.819 119.800 0.146 0.000 2.123 33 Q HA 0.019 4.302 4.340 -0.094 0.000 0.196 33 Q C 1.305 177.416 176.000 0.184 0.000 0.958 33 Q CA 0.932 56.815 55.803 0.134 0.000 0.841 33 Q CB -0.706 28.088 28.738 0.094 0.000 0.915 33 Q HN 0.443 nan 8.270 nan 0.000 0.455 34 C N 2.388 121.806 119.300 0.196 0.000 2.563 34 C HA 0.257 4.660 4.460 -0.094 0.000 0.411 34 C C -1.869 173.243 174.990 0.203 0.000 1.386 34 C CA -1.009 58.074 59.018 0.108 0.000 1.703 34 C CB 0.174 27.871 27.740 -0.070 0.000 2.596 34 C HN 0.507 nan 8.230 nan 0.000 0.605 35 P HA -0.039 nan 4.420 nan 0.000 0.266 35 P C 0.697 177.985 177.300 -0.020 0.000 1.193 35 P CA 0.050 63.222 63.100 0.120 0.000 0.770 35 P CB 0.229 31.950 31.700 0.035 0.000 0.836 36 F N 3.999 123.716 119.950 -0.389 0.000 2.063 36 F HA -0.328 4.142 4.527 -0.095 0.000 0.298 36 F C 1.871 177.448 175.800 -0.372 0.000 1.105 36 F CA 2.020 59.500 58.000 -0.866 0.000 1.215 36 F CB -0.687 37.894 39.000 -0.699 0.000 0.972 36 F HN 0.335 nan 8.300 nan 0.000 0.483 37 E N 0.669 120.595 120.200 -0.456 0.000 2.045 37 E HA -0.289 4.004 4.350 -0.094 0.000 0.212 37 E C 1.859 178.223 176.600 -0.394 0.000 1.039 37 E CA 1.913 58.035 56.400 -0.463 0.000 0.860 37 E CB -1.380 28.198 29.700 -0.205 0.000 0.776 37 E HN 0.474 nan 8.360 nan 0.000 0.467 38 D N 0.461 120.687 120.400 -0.291 0.000 2.172 38 D HA -0.184 4.399 4.640 -0.094 0.000 0.196 38 D C 1.933 178.060 176.300 -0.287 0.000 0.999 38 D CA 1.294 55.134 54.000 -0.267 0.000 0.856 38 D CB -0.585 40.057 40.800 -0.264 0.000 0.934 38 D HN 0.354 nan 8.370 nan 0.000 0.453 39 H N 0.277 119.222 119.070 -0.209 0.000 2.293 39 H HA -0.032 4.469 4.556 -0.092 0.000 0.300 39 H C 2.530 177.668 175.328 -0.316 0.000 1.082 39 H CA 0.831 56.763 56.048 -0.194 0.000 1.308 39 H CB -0.547 29.169 29.762 -0.078 0.000 1.375 39 H HN 0.028 nan 8.280 nan 0.000 0.495 40 V N 1.421 121.158 119.914 -0.295 0.000 2.282 40 V HA -0.314 3.749 4.120 -0.094 0.000 0.249 40 V C 2.627 178.582 176.094 -0.232 0.000 1.057 40 V CA 2.264 64.371 62.300 -0.322 0.000 1.032 40 V CB -0.549 30.959 31.823 -0.525 0.000 0.645 40 V HN 0.344 nan 8.190 nan 0.000 0.447 41 K N 0.045 120.309 120.400 -0.226 0.000 2.001 41 K HA -0.205 4.058 4.320 -0.094 0.000 0.214 41 K C 2.142 178.649 176.600 -0.155 0.000 1.050 41 K CA 2.016 58.206 56.287 -0.161 0.000 0.934 41 K CB -0.344 32.071 32.500 -0.142 0.000 0.718 41 K HN 0.418 nan 8.250 nan 0.000 0.443 42 L N 0.719 121.825 121.223 -0.195 0.000 2.043 42 L HA -0.211 4.073 4.340 -0.094 0.000 0.212 42 L C 2.489 179.157 176.870 -0.336 0.000 1.075 42 L CA 1.115 55.812 54.840 -0.238 0.000 0.752 42 L CB -0.706 41.178 42.059 -0.292 0.000 0.891 42 L HN 0.099 nan 8.230 nan 0.000 0.432 43 V N 0.332 120.003 119.914 -0.405 0.000 2.332 43 V HA -0.286 3.778 4.120 -0.094 0.000 0.248 43 V C 2.338 178.383 176.094 -0.082 0.000 1.055 43 V CA 1.949 64.073 62.300 -0.294 0.000 1.038 43 V CB -0.665 31.045 31.823 -0.189 0.000 0.651 43 V HN 0.500 nan 8.190 nan 0.000 0.450 44 N N 0.062 118.719 118.700 -0.073 0.000 2.080 44 N HA -0.140 4.543 4.740 -0.094 0.000 0.189 44 N C 1.834 177.351 175.510 0.012 0.000 1.036 44 N CA 1.463 54.507 53.050 -0.010 0.000 0.846 44 N CB -0.368 38.100 38.487 -0.032 0.000 1.015 44 N HN 0.580 nan 8.380 nan 0.000 0.423 45 E N 0.545 120.735 120.200 -0.016 0.000 2.114 45 E HA -0.143 4.151 4.350 -0.094 0.000 0.199 45 E C 1.934 178.582 176.600 0.080 0.000 1.008 45 E CA 1.049 57.459 56.400 0.016 0.000 0.810 45 E CB -0.059 29.640 29.700 -0.002 0.000 0.739 45 E HN 0.097 nan 8.360 nan 0.000 0.456 46 V N 1.098 121.047 119.914 0.057 0.000 2.453 46 V HA -0.198 3.865 4.120 -0.094 0.000 0.247 46 V C 2.255 178.458 176.094 0.182 0.000 1.048 46 V CA 2.037 64.397 62.300 0.101 0.000 1.049 46 V CB -0.543 31.287 31.823 0.012 0.000 0.672 46 V HN 0.333 nan 8.190 nan 0.000 0.457 47 T N -0.852 113.820 114.554 0.196 0.000 2.812 47 T HA -0.122 4.171 4.350 -0.094 0.000 0.264 47 T C 1.870 176.635 174.700 0.108 0.000 1.042 47 T CA 1.035 63.275 62.100 0.234 0.000 1.140 47 T CB -0.166 68.845 68.868 0.239 0.000 0.870 47 T HN 0.394 nan 8.240 nan 0.000 0.445 48 E N 1.018 121.273 120.200 0.092 0.000 2.031 48 E HA -0.070 4.223 4.350 -0.094 0.000 0.193 48 E C 1.826 178.480 176.600 0.091 0.000 0.994 48 E CA 0.853 57.283 56.400 0.051 0.000 0.800 48 E CB -0.631 29.090 29.700 0.034 0.000 0.752 48 E HN 0.587 nan 8.360 nan 0.000 0.447 49 F N 1.432 121.352 119.950 -0.050 0.000 2.087 49 F HA -0.341 4.130 4.527 -0.093 0.000 0.299 49 F C 2.281 178.023 175.800 -0.096 0.000 1.100 49 F CA 1.305 59.272 58.000 -0.056 0.000 1.226 49 F CB 0.010 38.993 39.000 -0.028 0.000 0.983 49 F HN 0.045 nan 8.300 nan 0.000 0.479 50 A N 0.491 123.350 122.820 0.065 0.000 1.917 50 A HA -0.274 3.990 4.320 -0.094 0.000 0.219 50 A C 2.061 179.429 177.584 -0.360 0.000 1.182 50 A CA 2.026 53.939 52.037 -0.206 0.000 0.633 50 A CB -0.779 18.053 19.000 -0.279 0.000 0.819 50 A HN 0.489 nan 8.150 nan 0.000 0.448 51 K N -0.711 119.471 120.400 -0.362 0.000 2.360 51 K HA -0.114 4.149 4.320 -0.094 0.000 0.201 51 K C 2.058 178.531 176.600 -0.211 0.000 1.046 51 K CA 1.572 57.615 56.287 -0.406 0.000 0.945 51 K CB -0.269 32.069 32.500 -0.270 0.000 0.750 51 K HN 0.796 nan 8.250 nan 0.000 0.464 52 T N -2.298 112.211 114.554 -0.074 0.000 3.009 52 T HA -0.048 4.245 4.350 -0.094 0.000 0.258 52 T C 2.224 176.921 174.700 -0.005 0.000 1.063 52 T CA 0.521 62.607 62.100 -0.024 0.000 1.139 52 T CB -0.428 68.449 68.868 0.015 0.000 0.890 52 T HN 0.171 nan 8.240 nan 0.000 0.471 53 c N 1.483 120.099 118.600 0.027 0.000 2.422 53 c HA 0.079 4.593 4.570 -0.094 0.000 0.279 53 c C 2.846 176.905 174.090 -0.052 0.000 1.305 53 c CA 0.269 56.609 56.329 0.019 0.000 1.757 53 c CB -1.242 41.266 42.510 -0.004 0.000 1.962 53 c HN 0.465 nan 8.230 nan 0.000 0.499 54 V N 1.574 121.405 119.914 -0.139 0.000 2.287 54 V HA -0.241 3.822 4.120 -0.094 0.000 0.248 54 V C 2.655 178.700 176.094 -0.082 0.000 1.053 54 V CA 2.363 64.577 62.300 -0.142 0.000 1.027 54 V CB -1.342 30.327 31.823 -0.256 0.000 0.646 54 V HN 0.618 nan 8.190 nan 0.000 0.447 55 A N 0.137 122.910 122.820 -0.079 0.000 1.821 55 A HA -0.032 4.232 4.320 -0.094 0.000 0.215 55 A C 1.514 179.082 177.584 -0.028 0.000 1.214 55 A CA 1.468 53.475 52.037 -0.049 0.000 0.608 55 A CB -1.118 17.852 19.000 -0.049 0.000 0.862 55 A HN 0.586 nan 8.150 nan 0.000 0.448 56 D N 0.017 120.407 120.400 -0.017 0.000 2.428 56 D HA 0.491 5.074 4.640 -0.094 0.000 0.221 56 D C 0.026 176.334 176.300 0.014 0.000 1.123 56 D CA -0.176 53.823 54.000 -0.001 0.000 0.869 56 D CB 0.048 40.848 40.800 0.001 0.000 1.032 56 D HN 0.518 nan 8.370 nan 0.000 0.506 57 E N 0.631 120.838 120.200 0.011 0.000 2.441 57 E HA 0.153 4.447 4.350 -0.094 0.000 0.210 57 E C 0.609 177.230 176.600 0.036 0.000 1.306 57 E CA 0.150 56.564 56.400 0.022 0.000 1.307 57 E CB 0.072 29.781 29.700 0.014 0.000 1.297 57 E HN 0.446 nan 8.360 nan 0.000 0.440 58 S N -1.741 113.986 115.700 0.044 0.000 2.775 58 S HA 0.249 4.662 4.470 -0.094 0.000 0.227 58 S C 0.791 175.423 174.600 0.053 0.000 0.845 58 S CA 0.235 58.464 58.200 0.049 0.000 1.407 58 S CB -0.034 63.185 63.200 0.032 0.000 1.259 58 S HN 0.341 nan 8.310 nan 0.000 0.612 59 A N 1.923 124.780 122.820 0.061 0.000 2.934 59 A HA 0.120 4.383 4.320 -0.094 0.000 0.186 59 A C 1.890 179.495 177.584 0.035 0.000 0.968 59 A CA 2.292 54.354 52.037 0.041 0.000 1.058 59 A CB -1.608 17.418 19.000 0.044 0.000 0.780 59 A HN 0.907 nan 8.150 nan 0.000 0.567 60 E N -1.085 119.131 120.200 0.027 0.000 2.013 60 E HA -0.039 4.254 4.350 -0.094 0.000 0.194 60 E C 1.200 177.865 176.600 0.107 0.000 0.973 60 E CA 1.546 57.939 56.400 -0.012 0.000 0.842 60 E CB -0.632 28.925 29.700 -0.238 0.000 0.801 60 E HN 0.714 nan 8.360 nan 0.000 0.476 61 N N -1.383 117.490 118.700 0.289 0.000 2.305 61 N HA 0.174 4.857 4.740 -0.094 0.000 0.248 61 N C 0.577 176.247 175.510 0.267 0.000 1.290 61 N CA 0.069 53.281 53.050 0.270 0.000 0.873 61 N CB 0.414 39.063 38.487 0.270 0.000 1.261 61 N HN 0.407 nan 8.380 nan 0.000 0.504 62 c N 1.138 119.910 118.600 0.287 0.000 2.421 62 c HA -0.101 4.413 4.570 -0.094 0.000 0.296 62 c C 1.975 176.100 174.090 0.059 0.000 1.470 62 c CA 0.750 57.148 56.329 0.114 0.000 1.779 62 c CB -0.985 41.610 42.510 0.142 0.000 1.715 62 c HN 0.591 nan 8.230 nan 0.000 0.564 63 D N 0.528 120.976 120.400 0.081 0.000 2.347 63 D HA -0.037 4.546 4.640 -0.094 0.000 0.213 63 D C 0.843 177.179 176.300 0.060 0.000 0.985 63 D CA 0.411 54.449 54.000 0.064 0.000 0.879 63 D CB 0.034 40.872 40.800 0.063 0.000 0.919 63 D HN 0.476 nan 8.370 nan 0.000 0.526 64 K N 0.959 121.396 120.400 0.062 0.000 2.332 64 K HA 0.190 4.454 4.320 -0.094 0.000 0.246 64 K C 0.609 177.244 176.600 0.057 0.000 1.066 64 K CA -0.299 56.026 56.287 0.064 0.000 0.898 64 K CB 0.444 32.989 32.500 0.075 0.000 1.192 64 K HN 0.052 nan 8.250 nan 0.000 0.509 65 S N -0.054 115.692 115.700 0.076 0.000 2.508 65 S HA 0.199 4.612 4.470 -0.094 0.000 0.284 65 S C 1.318 175.975 174.600 0.096 0.000 1.192 65 S CA -0.797 57.451 58.200 0.081 0.000 1.070 65 S CB 0.613 63.880 63.200 0.111 0.000 1.004 65 S HN 0.561 nan 8.310 nan 0.000 0.493 66 L N 1.483 122.752 121.223 0.076 0.000 2.030 66 L HA -0.264 4.019 4.340 -0.094 0.000 0.222 66 L C 2.665 179.756 176.870 0.369 0.000 1.082 66 L CA 1.855 56.815 54.840 0.201 0.000 0.785 66 L CB -1.144 41.025 42.059 0.184 0.000 0.895 66 L HN 0.783 nan 8.230 nan 0.000 0.439 67 H N -0.049 119.194 119.070 0.289 0.000 2.251 67 H HA -0.168 4.331 4.556 -0.096 0.000 0.294 67 H C 2.386 177.837 175.328 0.204 0.000 1.078 67 H CA 2.099 58.288 56.048 0.236 0.000 1.246 67 H CB -0.935 28.919 29.762 0.153 0.000 1.358 67 H HN 0.355 nan 8.280 nan 0.000 0.488 68 T N 1.464 116.189 114.554 0.284 0.000 2.620 68 T HA -0.266 4.027 4.350 -0.094 0.000 0.267 68 T C 2.720 177.522 174.700 0.170 0.000 1.044 68 T CA 2.606 64.819 62.100 0.188 0.000 1.161 68 T CB -1.152 67.800 68.868 0.141 0.000 0.862 68 T HN 0.364 nan 8.240 nan 0.000 0.438 69 L N 0.399 121.704 121.223 0.136 0.000 1.970 69 L HA 0.062 4.345 4.340 -0.094 0.000 0.212 69 L C 2.562 179.472 176.870 0.065 0.000 1.071 69 L CA 2.343 57.215 54.840 0.053 0.000 0.751 69 L CB -2.041 39.949 42.059 -0.115 0.000 0.889 69 L HN 0.377 nan 8.230 nan 0.000 0.432 70 F N 0.846 120.852 119.950 0.095 0.000 2.126 70 F HA -0.067 4.406 4.527 -0.090 0.000 0.299 70 F C 2.600 178.378 175.800 -0.037 0.000 1.096 70 F CA 1.825 59.848 58.000 0.038 0.000 1.255 70 F CB -0.916 38.041 39.000 -0.072 0.000 0.997 70 F HN 0.284 nan 8.300 nan 0.000 0.479 71 G N -0.302 108.619 108.800 0.203 0.000 2.433 71 G HA2 -0.238 3.665 3.960 -0.094 0.000 0.216 71 G HA3 -0.238 3.665 3.960 -0.094 0.000 0.216 71 G C 1.324 176.316 174.900 0.153 0.000 1.186 71 G CA 1.185 46.366 45.100 0.134 0.000 0.779 71 G HN 0.235 nan 8.290 nan 0.000 0.543 72 D N 0.423 120.915 120.400 0.153 0.000 2.149 72 D HA -0.075 4.508 4.640 -0.094 0.000 0.198 72 D C 2.649 179.031 176.300 0.137 0.000 0.990 72 D CA 1.076 55.156 54.000 0.133 0.000 0.839 72 D CB -0.195 40.677 40.800 0.119 0.000 0.948 72 D HN 0.225 nan 8.370 nan 0.000 0.460 73 K N 0.369 120.870 120.400 0.167 0.000 2.057 73 K HA -0.045 4.218 4.320 -0.094 0.000 0.207 73 K C 2.531 179.264 176.600 0.223 0.000 1.049 73 K CA 0.353 56.763 56.287 0.206 0.000 0.931 73 K CB -0.794 31.891 32.500 0.308 0.000 0.714 73 K HN 0.277 nan 8.250 nan 0.000 0.440 74 L N -0.088 121.263 121.223 0.213 0.000 2.093 74 L HA -0.086 4.197 4.340 -0.094 0.000 0.208 74 L C 2.396 179.338 176.870 0.119 0.000 1.085 74 L CA 0.919 55.850 54.840 0.152 0.000 0.755 74 L CB -0.491 41.515 42.059 -0.088 0.000 0.904 74 L HN 0.287 nan 8.230 nan 0.000 0.435 75 c N 0.013 118.694 118.600 0.135 0.000 2.479 75 c HA -0.070 4.443 4.570 -0.094 0.000 0.292 75 c C 2.492 176.634 174.090 0.087 0.000 1.497 75 c CA 1.259 57.667 56.329 0.131 0.000 1.714 75 c CB -1.880 40.713 42.510 0.138 0.000 1.610 75 c HN 0.628 nan 8.230 nan 0.000 0.589 76 T N -4.070 110.533 114.554 0.082 0.000 3.086 76 T HA 0.163 4.457 4.350 -0.094 0.000 0.250 76 T C 0.894 175.617 174.700 0.038 0.000 1.074 76 T CA 0.639 62.772 62.100 0.055 0.000 0.988 76 T CB 0.052 68.951 68.868 0.052 0.000 0.988 76 T HN 0.297 nan 8.240 nan 0.000 0.530 77 V N -0.643 119.299 119.914 0.046 0.000 3.359 77 V HA 0.502 4.566 4.120 -0.094 0.000 0.270 77 V C 2.593 178.709 176.094 0.036 0.000 1.583 77 V CA 0.159 62.475 62.300 0.027 0.000 1.019 77 V CB -0.242 31.586 31.823 0.008 0.000 0.831 77 V HN 0.437 nan 8.190 nan 0.000 0.426 78 A N 1.147 124.004 122.820 0.062 0.000 1.968 78 A HA -0.104 4.160 4.320 -0.094 0.000 0.217 78 A C 2.157 179.765 177.584 0.040 0.000 1.169 78 A CA 2.154 54.233 52.037 0.070 0.000 0.638 78 A CB -0.810 18.270 19.000 0.133 0.000 0.812 78 A HN 0.519 nan 8.150 nan 0.000 0.446 79 T N 0.411 114.986 114.554 0.034 0.000 2.969 79 T HA -0.042 4.252 4.350 -0.094 0.000 0.271 79 T C 0.704 175.409 174.700 0.008 0.000 1.127 79 T CA 0.554 62.663 62.100 0.015 0.000 1.102 79 T CB -0.626 68.251 68.868 0.015 0.000 0.855 79 T HN 0.327 nan 8.240 nan 0.000 0.536 80 L N 1.715 122.946 121.223 0.012 0.000 2.384 80 L HA 0.340 4.623 4.340 -0.094 0.000 0.258 80 L C 2.215 179.089 176.870 0.006 0.000 1.266 80 L CA -0.633 54.212 54.840 0.008 0.000 1.162 80 L CB -0.283 41.781 42.059 0.008 0.000 1.375 80 L HN 0.191 nan 8.230 nan 0.000 0.420 81 R N 1.413 121.912 120.500 -0.000 0.000 2.193 81 R HA -0.135 4.148 4.340 -0.094 0.000 0.229 81 R C 2.064 178.364 176.300 0.000 0.000 1.110 81 R CA 1.584 57.681 56.100 -0.005 0.000 0.988 81 R CB -1.346 28.947 30.300 -0.011 0.000 0.871 81 R HN 0.704 nan 8.270 nan 0.000 0.458 82 E N 0.212 120.413 120.200 0.003 0.000 2.265 82 E HA -0.130 4.163 4.350 -0.094 0.000 0.196 82 E C 2.059 178.665 176.600 0.009 0.000 0.996 82 E CA 1.767 58.170 56.400 0.005 0.000 0.832 82 E CB -0.716 28.987 29.700 0.005 0.000 0.756 82 E HN 0.734 nan 8.360 nan 0.000 0.491 83 T N -2.718 111.842 114.554 0.011 0.000 3.044 83 T HA 0.361 4.654 4.350 -0.094 0.000 0.237 83 T C 1.013 175.725 174.700 0.021 0.000 1.001 83 T CA 0.932 63.043 62.100 0.017 0.000 1.160 83 T CB 0.219 69.098 68.868 0.018 0.000 0.889 83 T HN 0.721 nan 8.240 nan 0.000 0.442 84 Y N 1.603 121.913 120.300 0.018 0.000 2.863 84 Y HA 0.747 5.241 4.550 -0.094 0.000 0.348 84 Y C 1.322 177.219 175.900 -0.005 0.000 1.028 84 Y CA -1.325 56.785 58.100 0.016 0.000 1.213 84 Y CB -0.112 38.367 38.460 0.032 0.000 1.120 84 Y HN 0.294 nan 8.280 nan 0.000 0.598 85 G N 0.420 109.215 108.800 -0.008 0.000 2.639 85 G HA2 -0.093 3.810 3.960 -0.094 0.000 0.216 85 G HA3 -0.093 3.810 3.960 -0.094 0.000 0.216 85 G C 1.489 176.360 174.900 -0.048 0.000 1.267 85 G CA 1.833 46.921 45.100 -0.020 0.000 0.801 85 G HN 1.275 nan 8.290 nan 0.000 0.592 86 E N 0.271 120.433 120.200 -0.063 0.000 2.510 86 E HA 0.057 4.351 4.350 -0.094 0.000 0.202 86 E C 2.211 178.654 176.600 -0.263 0.000 1.072 86 E CA 1.379 57.705 56.400 -0.124 0.000 0.883 86 E CB -0.376 29.276 29.700 -0.080 0.000 0.818 86 E HN 0.368 nan 8.360 nan 0.000 0.548 87 M N -0.289 119.198 119.600 -0.188 0.000 2.248 87 M HA 0.249 4.673 4.480 -0.094 0.000 0.265 87 M C 2.815 179.031 176.300 -0.140 0.000 1.079 87 M CA 1.190 56.380 55.300 -0.182 0.000 1.150 87 M CB -0.985 31.596 32.600 -0.033 0.000 1.366 87 M HN 0.458 nan 8.290 nan 0.000 0.433 88 A N 1.079 123.850 122.820 -0.082 0.000 1.971 88 A HA -0.239 4.025 4.320 -0.094 0.000 0.222 88 A C 1.748 179.277 177.584 -0.092 0.000 1.182 88 A CA 2.248 54.249 52.037 -0.060 0.000 0.649 88 A CB -0.908 18.069 19.000 -0.039 0.000 0.818 88 A HN 0.496 nan 8.150 nan 0.000 0.458 89 D N -0.260 120.068 120.400 -0.120 0.000 2.104 89 D HA -0.152 4.431 4.640 -0.094 0.000 0.194 89 D C 2.046 178.243 176.300 -0.173 0.000 0.994 89 D CA 1.511 55.438 54.000 -0.122 0.000 0.830 89 D CB -1.069 39.664 40.800 -0.111 0.000 0.959 89 D HN 0.474 nan 8.370 nan 0.000 0.452 90 c N 0.790 119.224 118.600 -0.278 0.000 2.385 90 c HA -0.204 4.310 4.570 -0.094 0.000 0.275 90 c C 3.096 176.964 174.090 -0.370 0.000 1.207 90 c CA 0.514 56.573 56.329 -0.449 0.000 1.760 90 c CB -1.060 40.953 42.510 -0.829 0.000 2.051 90 c HN 0.456 nan 8.230 nan 0.000 0.467 91 c N 0.740 119.203 118.600 -0.227 0.000 2.432 91 c HA 0.041 4.554 4.570 -0.094 0.000 0.282 91 c C 2.767 176.818 174.090 -0.066 0.000 1.388 91 c CA 0.919 57.194 56.329 -0.090 0.000 1.777 91 c CB -1.646 40.863 42.510 -0.002 0.000 1.882 91 c HN 0.718 nan 8.230 nan 0.000 0.520 92 A N -0.175 122.597 122.820 -0.081 0.000 2.238 92 A HA 0.065 4.328 4.320 -0.094 0.000 0.208 92 A C 1.077 178.626 177.584 -0.058 0.000 1.177 92 A CA 0.612 52.616 52.037 -0.054 0.000 0.804 92 A CB -0.149 18.821 19.000 -0.050 0.000 0.823 92 A HN 0.603 nan 8.150 nan 0.000 0.482 93 K N -1.099 119.249 120.400 -0.086 0.000 2.362 93 K HA 0.544 4.807 4.320 -0.094 0.000 0.245 93 K C 0.709 177.281 176.600 -0.048 0.000 1.040 93 K CA 0.357 56.597 56.287 -0.078 0.000 0.961 93 K CB 0.167 32.594 32.500 -0.122 0.000 1.252 93 K HN 0.348 nan 8.250 nan 0.000 0.503 94 Q N 0.375 120.153 119.800 -0.036 0.000 2.838 94 Q HA 0.321 4.604 4.340 -0.094 0.000 0.189 94 Q C 1.613 177.612 176.000 -0.001 0.000 1.029 94 Q CA 0.626 56.423 55.803 -0.011 0.000 0.919 94 Q CB -0.995 27.741 28.738 -0.004 0.000 2.121 94 Q HN 0.695 nan 8.270 nan 0.000 0.455 95 E N -0.223 119.988 120.200 0.018 0.000 2.033 95 E HA -0.008 4.286 4.350 -0.094 0.000 0.189 95 E C 0.229 176.845 176.600 0.028 0.000 0.979 95 E CA 1.483 57.905 56.400 0.036 0.000 0.802 95 E CB -2.020 27.710 29.700 0.051 0.000 0.763 95 E HN 0.663 nan 8.360 nan 0.000 0.449 96 P HA -0.078 nan 4.420 nan 0.000 0.218 96 P C 0.942 178.247 177.300 0.008 0.000 1.154 96 P CA 2.785 65.897 63.100 0.019 0.000 0.872 96 P CB 0.132 31.839 31.700 0.011 0.000 0.790 97 E N -1.098 119.093 120.200 -0.015 0.000 3.293 97 E HA 0.094 4.387 4.350 -0.094 0.000 0.174 97 E C 1.250 177.796 176.600 -0.089 0.000 0.958 97 E CA -0.330 56.046 56.400 -0.039 0.000 1.352 97 E CB -0.919 28.762 29.700 -0.031 0.000 1.066 97 E HN 0.230 nan 8.360 nan 0.000 0.448 98 R N 0.234 120.678 120.500 -0.093 0.000 2.148 98 R HA -0.077 4.207 4.340 -0.094 0.000 0.227 98 R C 1.499 177.653 176.300 -0.243 0.000 1.103 98 R CA 1.472 57.467 56.100 -0.174 0.000 0.983 98 R CB -0.525 29.717 30.300 -0.096 0.000 0.874 98 R HN 0.442 nan 8.270 nan 0.000 0.451 99 N N 0.422 119.050 118.700 -0.121 0.000 2.109 99 N HA -0.141 4.542 4.740 -0.094 0.000 0.188 99 N C 1.149 176.594 175.510 -0.108 0.000 1.034 99 N CA 0.959 53.949 53.050 -0.100 0.000 0.846 99 N CB 0.152 38.462 38.487 -0.294 0.000 1.010 99 N HN 0.140 nan 8.380 nan 0.000 0.425 100 E N 1.094 121.227 120.200 -0.112 0.000 2.086 100 E HA -0.237 4.056 4.350 -0.094 0.000 0.200 100 E C 2.153 178.712 176.600 -0.067 0.000 1.012 100 E CA 0.660 57.011 56.400 -0.081 0.000 0.812 100 E CB -1.265 28.409 29.700 -0.044 0.000 0.743 100 E HN 0.456 nan 8.360 nan 0.000 0.453 101 c N 0.330 118.855 118.600 -0.126 0.000 2.363 101 c HA -0.239 4.274 4.570 -0.094 0.000 0.274 101 c C 2.608 176.700 174.090 0.003 0.000 1.183 101 c CA 1.077 57.335 56.329 -0.119 0.000 1.771 101 c CB -1.390 40.917 42.510 -0.338 0.000 2.059 101 c HN 0.326 nan 8.230 nan 0.000 0.455 102 F N 1.062 120.984 119.950 -0.046 0.000 2.075 102 F HA -0.057 4.412 4.527 -0.096 0.000 0.297 102 F C 2.242 178.090 175.800 0.080 0.000 1.113 102 F CA 1.701 59.651 58.000 -0.082 0.000 1.218 102 F CB -1.114 37.571 39.000 -0.525 0.000 0.984 102 F HN 0.211 nan 8.300 nan 0.000 0.472 103 L N -0.548 120.827 121.223 0.255 0.000 2.013 103 L HA -0.309 3.974 4.340 -0.094 0.000 0.212 103 L C 2.644 179.575 176.870 0.101 0.000 1.073 103 L CA 1.929 56.865 54.840 0.159 0.000 0.753 103 L CB -1.405 40.652 42.059 -0.004 0.000 0.890 103 L HN 0.172 nan 8.230 nan 0.000 0.432 104 Q N -0.579 119.244 119.800 0.037 0.000 2.368 104 Q HA -0.227 4.056 4.340 -0.094 0.000 0.210 104 Q C 1.560 177.455 176.000 -0.175 0.000 0.982 104 Q CA 1.705 57.461 55.803 -0.080 0.000 0.884 104 Q CB -0.632 28.011 28.738 -0.159 0.000 0.933 104 Q HN 0.738 nan 8.270 nan 0.000 0.460 105 H N -0.712 118.395 119.070 0.062 0.000 2.549 105 H HA 0.381 4.881 4.556 -0.094 0.000 0.279 105 H C 0.129 175.507 175.328 0.085 0.000 1.018 105 H CA -0.261 55.827 56.048 0.066 0.000 1.175 105 H CB 0.502 30.303 29.762 0.065 0.000 1.485 105 H HN 0.270 nan 8.280 nan 0.000 0.543 106 K N 1.393 121.889 120.400 0.160 0.000 2.401 106 K HA -0.001 4.263 4.320 -0.094 0.000 0.278 106 K C -0.391 176.270 176.600 0.102 0.000 1.018 106 K CA 0.007 56.354 56.287 0.100 0.000 0.981 106 K CB 0.613 33.101 32.500 -0.020 0.000 0.933 106 K HN 0.137 nan 8.250 nan 0.000 0.477 107 D N 1.890 122.335 120.400 0.075 0.000 2.233 107 D HA 0.069 4.652 4.640 -0.094 0.000 0.240 107 D C 0.063 176.394 176.300 0.051 0.000 1.074 107 D CA -0.261 53.774 54.000 0.059 0.000 0.838 107 D CB 1.133 41.957 40.800 0.040 0.000 1.124 107 D HN 0.401 nan 8.370 nan 0.000 0.475 108 D N 2.389 122.823 120.400 0.056 0.000 2.317 108 D HA -0.050 4.533 4.640 -0.094 0.000 0.211 108 D C -0.023 176.260 176.300 -0.028 0.000 0.966 108 D CA 0.623 54.645 54.000 0.037 0.000 0.876 108 D CB 0.443 41.256 40.800 0.022 0.000 0.927 108 D HN 0.436 nan 8.370 nan 0.000 0.519 109 N N 0.956 119.640 118.700 -0.026 0.000 2.762 109 N HA 0.193 4.877 4.740 -0.094 0.000 0.252 109 N C -2.804 172.686 175.510 -0.033 0.000 1.269 109 N CA -1.238 51.786 53.050 -0.044 0.000 0.799 109 N CB 1.775 40.242 38.487 -0.034 0.000 1.173 109 N HN -0.172 nan 8.380 nan 0.000 0.516 110 P HA 0.167 nan 4.420 nan 0.000 0.275 110 P C 0.129 177.415 177.300 -0.024 0.000 1.227 110 P CA 0.025 63.108 63.100 -0.027 0.000 0.781 110 P CB 0.519 32.194 31.700 -0.041 0.000 0.906 111 N N 3.110 121.805 118.700 -0.008 0.000 2.683 111 N HA 0.077 4.760 4.740 -0.094 0.000 0.256 111 N C 0.241 175.749 175.510 -0.003 0.000 1.270 111 N CA -0.075 52.972 53.050 -0.005 0.000 0.954 111 N CB -0.902 37.588 38.487 0.004 0.000 1.289 111 N HN 0.312 nan 8.380 nan 0.000 0.508 112 L N 0.333 121.547 121.223 -0.015 0.000 2.305 112 L HA 0.356 4.639 4.340 -0.094 0.000 0.281 112 L C -1.798 175.065 176.870 -0.011 0.000 1.085 112 L CA -1.678 53.154 54.840 -0.013 0.000 0.813 112 L CB 1.060 43.097 42.059 -0.037 0.000 1.157 112 L HN 0.231 nan 8.230 nan 0.000 0.436 113 P HA 0.043 nan 4.420 nan 0.000 0.265 113 P C 0.062 177.362 177.300 -0.000 0.000 1.187 113 P CA -0.054 63.049 63.100 0.006 0.000 0.766 113 P CB 0.362 32.072 31.700 0.018 0.000 0.820 114 R N 1.953 122.454 120.500 0.003 0.000 2.758 114 R HA 0.050 4.333 4.340 -0.094 0.000 0.263 114 R C -0.064 176.240 176.300 0.007 0.000 1.010 114 R CA 0.080 56.182 56.100 0.003 0.000 1.114 114 R CB -0.774 29.531 30.300 0.009 0.000 0.985 114 R HN 0.552 nan 8.270 nan 0.000 0.439 115 L N 3.493 124.720 121.223 0.007 0.000 2.321 115 L HA 0.424 4.707 4.340 -0.094 0.000 0.272 115 L C 0.030 176.916 176.870 0.027 0.000 1.050 115 L CA -0.690 54.156 54.840 0.011 0.000 0.893 115 L CB 1.082 43.137 42.059 -0.007 0.000 1.272 115 L HN 0.618 nan 8.230 nan 0.000 0.435 116 V N 6.447 126.381 119.914 0.033 0.000 2.834 116 V HA 0.555 4.618 4.120 -0.094 0.000 0.301 116 V C -0.039 176.090 176.094 0.058 0.000 1.066 116 V CA -0.495 61.831 62.300 0.043 0.000 1.052 116 V CB 1.175 33.021 31.823 0.039 0.000 1.021 116 V HN 0.915 nan 8.190 nan 0.000 0.480 117 R N 4.937 125.479 120.500 0.069 0.000 2.393 117 R HA 0.662 4.945 4.340 -0.094 0.000 0.315 117 R C -2.765 173.591 176.300 0.093 0.000 0.952 117 R CA -1.606 54.552 56.100 0.096 0.000 0.842 117 R CB 0.811 31.183 30.300 0.120 0.000 1.163 117 R HN 0.536 nan 8.270 nan 0.000 0.450 118 P HA 0.008 nan 4.420 nan 0.000 0.270 118 P C -0.098 177.258 177.300 0.093 0.000 1.221 118 P CA 0.190 63.345 63.100 0.092 0.000 0.788 118 P CB 0.317 32.079 31.700 0.103 0.000 0.904 119 E N 0.413 120.656 120.200 0.072 0.000 2.437 119 E HA 0.009 4.303 4.350 -0.094 0.000 0.263 119 E C 1.394 178.040 176.600 0.077 0.000 1.030 119 E CA 0.063 56.499 56.400 0.061 0.000 0.934 119 E CB -0.402 29.326 29.700 0.046 0.000 0.943 119 E HN 0.305 nan 8.360 nan 0.000 0.444 120 V N 2.181 122.132 119.914 0.062 0.000 2.439 120 V HA -0.297 3.766 4.120 -0.094 0.000 0.253 120 V C 2.708 178.844 176.094 0.070 0.000 1.074 120 V CA 2.967 65.305 62.300 0.064 0.000 1.076 120 V CB -1.462 30.370 31.823 0.016 0.000 0.664 120 V HN 0.964 nan 8.190 nan 0.000 0.461 121 D N -0.534 119.898 120.400 0.053 0.000 2.144 121 D HA -0.133 4.450 4.640 -0.094 0.000 0.199 121 D C 2.090 178.420 176.300 0.049 0.000 0.984 121 D CA 1.787 55.815 54.000 0.047 0.000 0.834 121 D CB -0.321 40.501 40.800 0.037 0.000 0.955 121 D HN 0.345 nan 8.370 nan 0.000 0.465 122 V N 0.220 120.170 119.914 0.060 0.000 2.346 122 V HA -0.166 3.897 4.120 -0.094 0.000 0.244 122 V C 2.836 178.960 176.094 0.051 0.000 1.037 122 V CA 1.718 64.051 62.300 0.056 0.000 1.029 122 V CB -0.537 31.329 31.823 0.072 0.000 0.663 122 V HN 0.476 nan 8.190 nan 0.000 0.454 123 M N -0.441 119.228 119.600 0.116 0.000 2.073 123 M HA -0.275 4.148 4.480 -0.094 0.000 0.258 123 M C 2.461 178.690 176.300 -0.119 0.000 1.070 123 M CA 2.256 57.644 55.300 0.146 0.000 1.103 123 M CB -0.962 31.908 32.600 0.451 0.000 1.321 123 M HN 0.400 nan 8.290 nan 0.000 0.405 124 c N 0.062 118.676 118.600 0.022 0.000 2.413 124 c HA -0.158 4.356 4.570 -0.094 0.000 0.276 124 c C 2.914 176.922 174.090 -0.136 0.000 1.248 124 c CA 1.530 57.828 56.329 -0.051 0.000 1.742 124 c CB -1.139 41.386 42.510 0.025 0.000 2.017 124 c HN 0.598 nan 8.230 nan 0.000 0.481 125 T N 1.128 115.649 114.554 -0.055 0.000 2.569 125 T HA -0.178 4.116 4.350 -0.094 0.000 0.263 125 T C 2.149 176.774 174.700 -0.125 0.000 1.074 125 T CA 1.977 64.059 62.100 -0.031 0.000 1.176 125 T CB -0.697 68.167 68.868 -0.007 0.000 0.863 125 T HN 0.632 nan 8.240 nan 0.000 0.410 126 A N 1.198 123.915 122.820 -0.171 0.000 1.917 126 A HA -0.139 4.124 4.320 -0.094 0.000 0.219 126 A C 2.060 179.343 177.584 -0.502 0.000 1.182 126 A CA 2.032 53.935 52.037 -0.224 0.000 0.633 126 A CB -1.086 17.855 19.000 -0.099 0.000 0.819 126 A HN 0.516 nan 8.150 nan 0.000 0.448 127 F N 0.213 119.476 119.950 -1.146 0.000 2.075 127 F HA -0.192 4.279 4.527 -0.093 0.000 0.297 127 F C 2.351 177.835 175.800 -0.527 0.000 1.113 127 F CA 2.206 59.367 58.000 -1.398 0.000 1.218 127 F CB -0.596 37.415 39.000 -1.648 0.000 0.984 127 F HN 0.357 nan 8.300 nan 0.000 0.472 128 H N -0.089 118.590 119.070 -0.651 0.000 2.353 128 H HA -0.108 4.392 4.556 -0.094 0.000 0.300 128 H C 1.944 177.040 175.328 -0.386 0.000 1.090 128 H CA 1.645 57.358 56.048 -0.558 0.000 1.327 128 H CB -0.880 28.727 29.762 -0.257 0.000 1.383 128 H HN 0.376 nan 8.280 nan 0.000 0.508 129 D N 0.419 120.736 120.400 -0.139 0.000 2.137 129 D HA -0.150 4.433 4.640 -0.094 0.000 0.193 129 D C 0.677 176.904 176.300 -0.123 0.000 0.993 129 D CA 1.106 55.042 54.000 -0.106 0.000 0.846 129 D CB -0.103 40.653 40.800 -0.073 0.000 0.990 129 D HN 0.105 nan 8.370 nan 0.000 0.448 130 N N -0.403 118.225 118.700 -0.120 0.000 2.372 130 N HA 0.113 4.796 4.740 -0.094 0.000 0.285 130 N C -0.107 175.349 175.510 -0.090 0.000 1.008 130 N CA -0.204 52.805 53.050 -0.069 0.000 0.880 130 N CB 1.779 40.272 38.487 0.010 0.000 1.239 130 N HN 0.258 nan 8.380 nan 0.000 0.484 131 E N 2.743 122.889 120.200 -0.091 0.000 2.057 131 E HA -0.047 4.246 4.350 -0.094 0.000 0.191 131 E C 1.520 178.211 176.600 0.153 0.000 0.959 131 E CA 1.083 57.455 56.400 -0.047 0.000 0.828 131 E CB -0.019 29.596 29.700 -0.141 0.000 0.800 131 E HN 0.692 nan 8.360 nan 0.000 0.460 132 E N 0.362 120.628 120.200 0.109 0.000 2.114 132 E HA -0.259 4.034 4.350 -0.094 0.000 0.199 132 E C 1.956 178.665 176.600 0.182 0.000 1.008 132 E CA 2.232 58.716 56.400 0.139 0.000 0.810 132 E CB -1.679 28.081 29.700 0.101 0.000 0.739 132 E HN 0.360 nan 8.360 nan 0.000 0.456 133 T N -0.456 114.209 114.554 0.185 0.000 2.867 133 T HA 0.001 4.295 4.350 -0.094 0.000 0.268 133 T C 1.678 176.513 174.700 0.225 0.000 1.057 133 T CA 1.028 63.269 62.100 0.236 0.000 1.136 133 T CB -0.375 68.624 68.868 0.218 0.000 0.874 133 T HN 0.457 nan 8.240 nan 0.000 0.466 134 F N 1.714 121.701 119.950 0.062 0.000 2.102 134 F HA 0.051 4.524 4.527 -0.091 0.000 0.298 134 F C 1.877 177.731 175.800 0.089 0.000 1.105 134 F CA 1.022 59.048 58.000 0.044 0.000 1.239 134 F CB -0.436 38.604 39.000 0.067 0.000 0.991 134 F HN 0.052 nan 8.300 nan 0.000 0.474 135 L N -0.442 120.901 121.223 0.200 0.000 2.217 135 L HA -0.156 4.127 4.340 -0.094 0.000 0.211 135 L C 2.325 179.264 176.870 0.114 0.000 1.107 135 L CA 1.002 55.927 54.840 0.140 0.000 0.783 135 L CB -0.593 41.594 42.059 0.213 0.000 0.919 135 L HN 0.082 nan 8.230 nan 0.000 0.442 136 K N 0.758 121.235 120.400 0.128 0.000 2.025 136 K HA -0.185 4.079 4.320 -0.094 0.000 0.207 136 K C 2.626 179.259 176.600 0.055 0.000 1.049 136 K CA 1.890 58.279 56.287 0.170 0.000 0.933 136 K CB -0.238 32.459 32.500 0.328 0.000 0.714 136 K HN 0.218 nan 8.250 nan 0.000 0.438 137 K N 0.925 121.191 120.400 -0.225 0.000 2.074 137 K HA -0.239 4.025 4.320 -0.094 0.000 0.209 137 K C 1.890 178.363 176.600 -0.211 0.000 1.048 137 K CA 1.988 57.960 56.287 -0.525 0.000 0.926 137 K CB -1.375 30.768 32.500 -0.595 0.000 0.713 137 K HN 0.298 nan 8.250 nan 0.000 0.444 138 Y N 1.346 121.434 120.300 -0.353 0.000 2.006 138 Y HA -0.211 4.284 4.550 -0.092 0.000 0.266 138 Y C 2.185 177.895 175.900 -0.316 0.000 1.133 138 Y CA 2.100 59.939 58.100 -0.435 0.000 1.098 138 Y CB -0.562 37.524 38.460 -0.622 0.000 0.969 138 Y HN 0.140 nan 8.280 nan 0.000 0.482 139 L N -0.740 120.327 121.223 -0.259 0.000 2.054 139 L HA -0.347 3.936 4.340 -0.094 0.000 0.220 139 L C 2.494 179.207 176.870 -0.262 0.000 1.081 139 L CA 2.306 56.960 54.840 -0.310 0.000 0.780 139 L CB -1.285 40.729 42.059 -0.075 0.000 0.893 139 L HN 0.472 nan 8.230 nan 0.000 0.438 140 Y N 1.071 121.245 120.300 -0.209 0.000 2.181 140 Y HA -0.220 4.277 4.550 -0.089 0.000 0.288 140 Y C 2.579 178.368 175.900 -0.185 0.000 1.146 140 Y CA 1.607 59.627 58.100 -0.133 0.000 1.164 140 Y CB -0.118 38.366 38.460 0.040 0.000 0.982 140 Y HN 0.143 nan 8.280 nan 0.000 0.515 141 E N -0.035 119.915 120.200 -0.417 0.000 2.208 141 E HA -0.115 4.178 4.350 -0.094 0.000 0.193 141 E C 2.111 178.455 176.600 -0.425 0.000 0.988 141 E CA 0.857 56.981 56.400 -0.461 0.000 0.828 141 E CB 0.019 29.546 29.700 -0.289 0.000 0.763 141 E HN 0.494 nan 8.360 nan 0.000 0.478 142 I N 0.792 121.047 120.570 -0.525 0.000 2.364 142 I HA -0.029 4.085 4.170 -0.094 0.000 0.241 142 I C 2.411 178.334 176.117 -0.324 0.000 1.082 142 I CA 0.776 61.781 61.300 -0.492 0.000 1.401 142 I CB -1.687 35.778 38.000 -0.891 0.000 1.126 142 I HN -0.089 nan 8.210 nan 0.000 0.429 143 A N 1.790 124.375 122.820 -0.393 0.000 2.042 143 A HA -0.238 4.026 4.320 -0.094 0.000 0.222 143 A C 2.338 179.801 177.584 -0.202 0.000 1.167 143 A CA 2.107 53.987 52.037 -0.261 0.000 0.649 143 A CB -0.769 18.081 19.000 -0.249 0.000 0.809 143 A HN 0.609 nan 8.150 nan 0.000 0.457 144 R N -1.411 118.923 120.500 -0.277 0.000 2.246 144 R HA 0.131 4.414 4.340 -0.094 0.000 0.199 144 R C 1.681 177.877 176.300 -0.173 0.000 0.984 144 R CA 0.707 56.657 56.100 -0.251 0.000 1.015 144 R CB -0.154 29.899 30.300 -0.411 0.000 0.930 144 R HN 0.411 nan 8.270 nan 0.000 0.475 145 R N 0.014 120.429 120.500 -0.143 0.000 2.265 145 R HA 0.151 4.434 4.340 -0.094 0.000 0.194 145 R C -0.005 176.123 176.300 -0.285 0.000 0.931 145 R CA 0.335 56.335 56.100 -0.167 0.000 1.032 145 R CB 0.414 30.641 30.300 -0.123 0.000 0.980 145 R HN 0.372 nan 8.270 nan 0.000 0.497 146 H N 0.955 119.995 119.070 -0.052 0.000 2.448 146 H HA 0.160 4.640 4.556 -0.126 0.000 0.237 146 H C -1.972 173.378 175.328 0.037 0.000 1.391 146 H CA -1.655 54.429 56.048 0.060 0.000 1.477 146 H CB 1.520 31.409 29.762 0.211 0.000 1.520 146 H HN -0.016 nan 8.280 nan 0.000 0.502 147 P HA -0.161 nan 4.420 nan 0.000 0.234 147 P C 0.186 177.240 177.300 -0.411 0.000 1.162 147 P CA 1.223 64.199 63.100 -0.208 0.000 0.759 147 P CB 0.031 31.577 31.700 -0.258 0.000 0.813 148 Y N -3.191 117.136 120.300 0.045 0.000 2.527 148 Y HA 0.293 4.792 4.550 -0.085 0.000 0.247 148 Y C 0.869 176.826 175.900 0.095 0.000 1.138 148 Y CA -1.010 57.110 58.100 0.033 0.000 1.228 148 Y CB -0.245 38.211 38.460 -0.006 0.000 1.252 148 Y HN -0.250 nan 8.280 nan 0.000 0.531 149 F N 1.639 121.656 119.950 0.112 0.000 2.612 149 F HA -0.108 4.407 4.527 -0.019 0.000 0.389 149 F C 0.488 176.370 175.800 0.137 0.000 1.055 149 F CA -0.616 57.431 58.000 0.078 0.000 1.232 149 F CB 0.056 39.028 39.000 -0.045 0.000 1.044 149 F HN 0.091 nan 8.300 nan 0.000 0.560 150 Y N 7.656 128.015 120.300 0.098 0.000 2.854 150 Y HA 0.123 4.619 4.550 -0.090 0.000 0.372 150 Y C 1.117 177.200 175.900 0.305 0.000 1.330 150 Y CA -0.477 57.726 58.100 0.171 0.000 1.765 150 Y CB -0.369 38.166 38.460 0.125 0.000 1.277 150 Y HN 0.770 nan 8.280 nan 0.000 0.498 151 A N 7.653 130.612 122.820 0.233 0.000 1.873 151 A HA -0.261 4.002 4.320 -0.094 0.000 0.219 151 A C -0.125 177.440 177.584 -0.032 0.000 1.269 151 A CA 2.180 54.254 52.037 0.061 0.000 0.671 151 A CB -1.940 17.050 19.000 -0.016 0.000 0.842 151 A HN 0.632 nan 8.150 nan 0.000 0.460 152 P HA -0.184 nan 4.420 nan 0.000 0.218 152 P C 1.317 178.569 177.300 -0.080 0.000 1.150 152 P CA 1.605 64.588 63.100 -0.195 0.000 0.841 152 P CB -0.053 31.431 31.700 -0.360 0.000 0.784 153 E N -1.159 118.979 120.200 -0.103 0.000 2.158 153 E HA -0.083 4.210 4.350 -0.094 0.000 0.191 153 E C 1.805 178.768 176.600 0.604 0.000 0.982 153 E CA 0.534 57.112 56.400 0.297 0.000 0.823 153 E CB -0.730 29.233 29.700 0.438 0.000 0.766 153 E HN 0.156 nan 8.360 nan 0.000 0.468 154 L N 1.002 122.466 121.223 0.401 0.000 2.131 154 L HA -0.125 4.159 4.340 -0.094 0.000 0.210 154 L C 2.089 179.071 176.870 0.187 0.000 1.092 154 L CA 1.266 56.201 54.840 0.158 0.000 0.759 154 L CB -0.520 41.414 42.059 -0.209 0.000 0.903 154 L HN 0.085 nan 8.230 nan 0.000 0.435 155 L N -2.066 119.256 121.223 0.166 0.000 2.056 155 L HA -0.216 4.068 4.340 -0.094 0.000 0.207 155 L C 2.473 179.439 176.870 0.160 0.000 1.078 155 L CA 1.357 56.275 54.840 0.131 0.000 0.749 155 L CB -0.809 41.306 42.059 0.092 0.000 0.901 155 L HN 0.287 nan 8.230 nan 0.000 0.433 156 F N 0.871 120.877 119.950 0.093 0.000 2.095 156 F HA -0.266 4.201 4.527 -0.100 0.000 0.298 156 F C 2.184 177.956 175.800 -0.047 0.000 1.104 156 F CA 1.530 59.521 58.000 -0.015 0.000 1.232 156 F CB -0.445 38.494 39.000 -0.102 0.000 0.987 156 F HN -0.132 nan 8.300 nan 0.000 0.475 157 F N 0.437 120.361 119.950 -0.044 0.000 2.171 157 F HA -0.116 4.360 4.527 -0.084 0.000 0.300 157 F C 2.551 178.304 175.800 -0.077 0.000 1.090 157 F CA 1.210 59.160 58.000 -0.084 0.000 1.293 157 F CB -1.326 37.744 39.000 0.117 0.000 1.013 157 F HN 0.102 nan 8.300 nan 0.000 0.486 158 A N 0.063 122.992 122.820 0.182 0.000 1.845 158 A HA -0.247 4.016 4.320 -0.094 0.000 0.215 158 A C 2.254 179.844 177.584 0.010 0.000 1.195 158 A CA 2.243 54.362 52.037 0.136 0.000 0.616 158 A CB -1.169 17.925 19.000 0.157 0.000 0.832 158 A HN 0.184 nan 8.150 nan 0.000 0.443 159 K N -0.374 119.984 120.400 -0.070 0.000 2.127 159 K HA -0.175 4.088 4.320 -0.094 0.000 0.208 159 K C 2.316 178.805 176.600 -0.185 0.000 1.047 159 K CA 1.981 58.203 56.287 -0.109 0.000 0.927 159 K CB -0.621 31.797 32.500 -0.138 0.000 0.716 159 K HN 0.635 nan 8.250 nan 0.000 0.450 160 R N -1.851 118.443 120.500 -0.345 0.000 2.062 160 R HA -0.079 4.204 4.340 -0.094 0.000 0.231 160 R C 2.397 178.603 176.300 -0.156 0.000 1.136 160 R CA 1.998 57.895 56.100 -0.338 0.000 0.948 160 R CB -0.617 29.366 30.300 -0.528 0.000 0.845 160 R HN 0.572 nan 8.270 nan 0.000 0.430 161 Y N 1.761 121.907 120.300 -0.256 0.000 2.151 161 Y HA -0.320 4.175 4.550 -0.091 0.000 0.284 161 Y C 2.256 178.059 175.900 -0.163 0.000 1.166 161 Y CA 1.914 59.844 58.100 -0.284 0.000 1.163 161 Y CB -0.126 37.941 38.460 -0.655 0.000 0.974 161 Y HN -0.057 nan 8.280 nan 0.000 0.511 162 K N -0.208 120.145 120.400 -0.078 0.000 2.026 162 K HA -0.179 4.085 4.320 -0.094 0.000 0.208 162 K C 2.219 178.743 176.600 -0.127 0.000 1.048 162 K CA 1.265 57.502 56.287 -0.082 0.000 0.929 162 K CB -0.440 32.099 32.500 0.065 0.000 0.713 162 K HN 0.375 nan 8.250 nan 0.000 0.439 163 A N 0.719 123.476 122.820 -0.106 0.000 2.070 163 A HA -0.060 4.204 4.320 -0.094 0.000 0.220 163 A C 2.160 179.648 177.584 -0.160 0.000 1.159 163 A CA 1.608 53.588 52.037 -0.095 0.000 0.656 163 A CB -0.525 18.423 19.000 -0.087 0.000 0.800 163 A HN 0.477 nan 8.150 nan 0.000 0.453 164 A N -0.804 121.864 122.820 -0.254 0.000 1.873 164 A HA 0.042 4.305 4.320 -0.094 0.000 0.215 164 A C 1.922 179.224 177.584 -0.471 0.000 1.186 164 A CA 1.464 53.281 52.037 -0.367 0.000 0.616 164 A CB -0.661 18.046 19.000 -0.488 0.000 0.823 164 A HN 0.462 nan 8.150 nan 0.000 0.442 165 F N 0.123 119.725 119.950 -0.580 0.000 2.128 165 F HA -0.076 4.393 4.527 -0.097 0.000 0.295 165 F C 2.765 178.306 175.800 -0.431 0.000 1.100 165 F CA 1.740 59.318 58.000 -0.702 0.000 1.260 165 F CB -0.944 37.170 39.000 -1.476 0.000 1.009 165 F HN 0.087 nan 8.300 nan 0.000 0.476 166 T N -0.673 113.808 114.554 -0.121 0.000 2.802 166 T HA -0.268 4.025 4.350 -0.094 0.000 0.269 166 T C 1.825 176.585 174.700 0.099 0.000 1.062 166 T CA 1.894 64.096 62.100 0.170 0.000 1.133 166 T CB -0.241 68.733 68.868 0.176 0.000 0.852 166 T HN 0.406 nan 8.240 nan 0.000 0.485 167 E N -1.039 119.155 120.200 -0.011 0.000 2.175 167 E HA -0.014 4.279 4.350 -0.094 0.000 0.195 167 E C 2.234 178.813 176.600 -0.035 0.000 0.934 167 E CA 0.292 56.683 56.400 -0.014 0.000 0.870 167 E CB -0.045 29.629 29.700 -0.043 0.000 0.838 167 E HN 0.401 nan 8.360 nan 0.000 0.474 168 c N 0.853 119.389 118.600 -0.107 0.000 2.425 168 c HA -0.098 4.416 4.570 -0.094 0.000 0.277 168 c C 2.687 176.740 174.090 -0.062 0.000 1.280 168 c CA 0.481 56.738 56.329 -0.120 0.000 1.744 168 c CB -0.923 41.448 42.510 -0.232 0.000 1.989 168 c HN 0.631 nan 8.230 nan 0.000 0.491 169 c N 0.100 118.684 118.600 -0.028 0.000 2.430 169 c HA -0.016 4.498 4.570 -0.094 0.000 0.288 169 c C 2.603 176.765 174.090 0.119 0.000 1.448 169 c CA 1.598 57.958 56.329 0.052 0.000 1.784 169 c CB -2.030 40.512 42.510 0.054 0.000 1.776 169 c HN 0.819 nan 8.230 nan 0.000 0.547 170 Q N -0.697 119.158 119.800 0.092 0.000 2.175 170 Q HA 0.704 4.987 4.340 -0.094 0.000 0.225 170 Q C 0.464 176.485 176.000 0.035 0.000 0.837 170 Q CA 0.657 56.508 55.803 0.081 0.000 1.032 170 Q CB -0.110 28.679 28.738 0.085 0.000 1.137 170 Q HN 0.699 nan 8.270 nan 0.000 0.483 171 A N -0.342 122.489 122.820 0.018 0.000 2.274 171 A HA 0.874 5.138 4.320 -0.094 0.000 0.297 171 A C 1.497 179.082 177.584 0.002 0.000 1.191 171 A CA 0.250 52.287 52.037 -0.000 0.000 0.889 171 A CB 0.314 19.302 19.000 -0.021 0.000 1.294 171 A HN 1.033 nan 8.150 nan 0.000 0.506 172 A N -1.532 121.286 122.820 -0.004 0.000 2.147 172 A HA 0.347 4.611 4.320 -0.094 0.000 0.211 172 A C 0.328 177.909 177.584 -0.005 0.000 1.160 172 A CA 1.373 53.408 52.037 -0.002 0.000 0.781 172 A CB 0.019 19.016 19.000 -0.004 0.000 0.842 172 A HN 0.652 nan 8.150 nan 0.000 0.475 173 D N -1.674 118.719 120.400 -0.011 0.000 2.411 173 D HA 0.418 5.001 4.640 -0.094 0.000 0.239 173 D C 1.011 177.296 176.300 -0.027 0.000 1.307 173 D CA 0.551 54.542 54.000 -0.015 0.000 0.930 173 D CB 0.560 41.351 40.800 -0.016 0.000 1.395 173 D HN 0.070 nan 8.370 nan 0.000 0.536 174 K N 1.540 121.925 120.400 -0.025 0.000 2.015 174 K HA -0.135 4.129 4.320 -0.094 0.000 0.216 174 K C 2.091 178.651 176.600 -0.065 0.000 1.052 174 K CA 2.159 58.417 56.287 -0.048 0.000 0.937 174 K CB -1.235 31.246 32.500 -0.031 0.000 0.719 174 K HN 0.504 nan 8.250 nan 0.000 0.446 175 A N 0.919 123.713 122.820 -0.044 0.000 1.971 175 A HA 0.011 4.275 4.320 -0.094 0.000 0.222 175 A C 2.761 180.315 177.584 -0.051 0.000 1.182 175 A CA 3.044 55.056 52.037 -0.043 0.000 0.649 175 A CB -0.995 17.992 19.000 -0.021 0.000 0.818 175 A HN 1.202 nan 8.150 nan 0.000 0.458 176 A N -1.770 121.023 122.820 -0.045 0.000 1.898 176 A HA -0.101 4.163 4.320 -0.094 0.000 0.214 176 A C 2.407 179.956 177.584 -0.060 0.000 1.183 176 A CA 1.531 53.542 52.037 -0.043 0.000 0.622 176 A CB -1.250 17.731 19.000 -0.032 0.000 0.824 176 A HN 0.902 nan 8.150 nan 0.000 0.444 177 c N -1.251 117.305 118.600 -0.074 0.000 2.450 177 c HA 0.256 4.769 4.570 -0.094 0.000 0.279 177 c C 2.813 176.817 174.090 -0.143 0.000 1.335 177 c CA 1.341 57.614 56.329 -0.094 0.000 1.749 177 c CB -1.336 41.120 42.510 -0.090 0.000 1.963 177 c HN 0.612 nan 8.230 nan 0.000 0.501 178 L N 0.430 121.545 121.223 -0.179 0.000 2.046 178 L HA 0.221 4.505 4.340 -0.094 0.000 0.203 178 L C 2.538 179.292 176.870 -0.194 0.000 1.111 178 L CA 1.863 56.540 54.840 -0.273 0.000 0.769 178 L CB -1.789 40.048 42.059 -0.370 0.000 0.914 178 L HN 0.410 nan 8.230 nan 0.000 0.448 179 L N -0.411 120.730 121.223 -0.136 0.000 2.255 179 L HA -0.313 3.971 4.340 -0.094 0.000 0.236 179 L C 0.836 177.670 176.870 -0.061 0.000 1.129 179 L CA 3.344 58.138 54.840 -0.077 0.000 0.853 179 L CB -2.277 39.754 42.059 -0.047 0.000 0.942 179 L HN 0.343 nan 8.230 nan 0.000 0.451 180 P HA -0.180 nan 4.420 nan 0.000 0.210 180 P C 1.527 178.802 177.300 -0.041 0.000 1.185 180 P CA 1.529 64.605 63.100 -0.040 0.000 0.924 180 P CB -0.117 31.558 31.700 -0.042 0.000 0.786 181 K N -0.639 119.718 120.400 -0.072 0.000 2.173 181 K HA -0.153 4.111 4.320 -0.094 0.000 0.207 181 K C 2.091 178.659 176.600 -0.053 0.000 1.046 181 K CA 1.193 57.435 56.287 -0.074 0.000 0.929 181 K CB -0.771 31.650 32.500 -0.132 0.000 0.720 181 K HN 0.196 nan 8.250 nan 0.000 0.453 182 L N 0.726 121.904 121.223 -0.075 0.000 2.179 182 L HA -0.145 4.138 4.340 -0.094 0.000 0.208 182 L C 1.923 178.823 176.870 0.050 0.000 1.096 182 L CA 0.894 55.728 54.840 -0.010 0.000 0.779 182 L CB -0.298 41.735 42.059 -0.042 0.000 0.922 182 L HN 0.186 nan 8.230 nan 0.000 0.443 183 D N 0.058 120.474 120.400 0.026 0.000 2.117 183 D HA -0.231 4.353 4.640 -0.094 0.000 0.198 183 D C 1.937 178.274 176.300 0.063 0.000 0.982 183 D CA 1.198 55.224 54.000 0.044 0.000 0.828 183 D CB 0.116 40.931 40.800 0.025 0.000 0.967 183 D HN 0.366 nan 8.370 nan 0.000 0.464 184 E N 0.360 120.593 120.200 0.055 0.000 2.204 184 E HA -0.134 4.160 4.350 -0.094 0.000 0.195 184 E C 2.219 178.895 176.600 0.126 0.000 0.990 184 E CA 0.466 56.910 56.400 0.074 0.000 0.821 184 E CB 0.029 29.759 29.700 0.051 0.000 0.750 184 E HN 0.232 nan 8.360 nan 0.000 0.477 185 L N 0.246 121.555 121.223 0.144 0.000 2.102 185 L HA -0.041 4.242 4.340 -0.094 0.000 0.202 185 L C 2.906 179.908 176.870 0.219 0.000 1.076 185 L CA 0.873 55.855 54.840 0.237 0.000 0.761 185 L CB -0.437 41.773 42.059 0.252 0.000 0.921 185 L HN 0.172 nan 8.230 nan 0.000 0.444 186 R N 0.418 121.010 120.500 0.154 0.000 2.119 186 R HA -0.223 4.060 4.340 -0.094 0.000 0.246 186 R C 1.614 177.974 176.300 0.101 0.000 1.146 186 R CA 2.224 58.391 56.100 0.111 0.000 0.962 186 R CB -0.200 30.156 30.300 0.094 0.000 0.863 186 R HN 0.375 nan 8.270 nan 0.000 0.442 187 D N 0.151 120.618 120.400 0.112 0.000 2.087 187 D HA -0.178 4.405 4.640 -0.094 0.000 0.201 187 D C 1.717 178.097 176.300 0.133 0.000 0.980 187 D CA 1.312 55.376 54.000 0.106 0.000 0.849 187 D CB -0.615 40.240 40.800 0.091 0.000 1.001 187 D HN 0.372 nan 8.370 nan 0.000 0.452 188 E N 0.433 120.748 120.200 0.192 0.000 2.169 188 E HA -0.206 4.087 4.350 -0.094 0.000 0.202 188 E C 2.020 178.787 176.600 0.279 0.000 1.016 188 E CA 1.711 58.282 56.400 0.286 0.000 0.817 188 E CB -0.331 29.618 29.700 0.415 0.000 0.736 188 E HN 0.291 nan 8.360 nan 0.000 0.462 189 G N -0.348 108.547 108.800 0.159 0.000 2.403 189 G HA2 -0.229 3.675 3.960 -0.094 0.000 0.216 189 G HA3 -0.229 3.675 3.960 -0.094 0.000 0.216 189 G C 1.753 176.603 174.900 -0.083 0.000 1.154 189 G CA 0.638 45.652 45.100 -0.145 0.000 0.784 189 G HN 0.092 nan 8.290 nan 0.000 0.538 190 K N 0.592 120.995 120.400 0.006 0.000 2.097 190 K HA 0.237 4.500 4.320 -0.094 0.000 0.205 190 K C 3.064 179.684 176.600 0.033 0.000 1.050 190 K CA 1.097 57.415 56.287 0.051 0.000 0.938 190 K CB -0.641 31.920 32.500 0.103 0.000 0.718 190 K HN 0.460 nan 8.250 nan 0.000 0.442 191 A N 0.532 123.385 122.820 0.054 0.000 1.845 191 A HA -0.183 4.080 4.320 -0.094 0.000 0.215 191 A C 2.332 179.921 177.584 0.008 0.000 1.195 191 A CA 2.259 54.337 52.037 0.069 0.000 0.616 191 A CB -1.273 17.789 19.000 0.103 0.000 0.832 191 A HN 0.442 nan 8.150 nan 0.000 0.443 192 S N -0.588 115.106 115.700 -0.010 0.000 2.387 192 S HA -0.200 4.214 4.470 -0.094 0.000 0.230 192 S C 2.310 176.703 174.600 -0.346 0.000 1.035 192 S CA 2.239 60.379 58.200 -0.099 0.000 1.014 192 S CB -0.489 62.691 63.200 -0.033 0.000 0.836 192 S HN 0.664 nan 8.310 nan 0.000 0.466 193 S N 0.222 115.624 115.700 -0.496 0.000 2.383 193 S HA 0.082 4.495 4.470 -0.094 0.000 0.227 193 S C 2.036 176.536 174.600 -0.166 0.000 1.026 193 S CA 1.255 59.175 58.200 -0.466 0.000 0.981 193 S CB -0.711 62.361 63.200 -0.214 0.000 0.818 193 S HN 0.701 nan 8.310 nan 0.000 0.472 194 A N 1.499 124.265 122.820 -0.090 0.000 1.845 194 A HA -0.067 4.196 4.320 -0.094 0.000 0.215 194 A C 2.092 179.612 177.584 -0.106 0.000 1.195 194 A CA 1.755 53.752 52.037 -0.067 0.000 0.616 194 A CB -0.818 18.167 19.000 -0.024 0.000 0.832 194 A HN 0.583 nan 8.150 nan 0.000 0.443 195 K N -1.115 119.232 120.400 -0.088 0.000 2.107 195 K HA -0.285 3.978 4.320 -0.094 0.000 0.211 195 K C 2.354 178.850 176.600 -0.172 0.000 1.049 195 K CA 2.079 58.301 56.287 -0.109 0.000 0.927 195 K CB -0.115 32.356 32.500 -0.048 0.000 0.714 195 K HN 0.542 nan 8.250 nan 0.000 0.452 196 Q N 0.465 120.166 119.800 -0.164 0.000 2.187 196 Q HA -0.085 4.198 4.340 -0.094 0.000 0.199 196 Q C 1.813 177.727 176.000 -0.145 0.000 0.957 196 Q CA 1.232 56.935 55.803 -0.166 0.000 0.857 196 Q CB 0.036 28.697 28.738 -0.128 0.000 0.929 196 Q HN 0.045 nan 8.270 nan 0.000 0.453 197 R N -0.313 120.101 120.500 -0.144 0.000 2.115 197 R HA -0.070 4.213 4.340 -0.094 0.000 0.230 197 R C 1.780 177.943 176.300 -0.230 0.000 1.111 197 R CA 0.985 56.965 56.100 -0.200 0.000 0.976 197 R CB -0.704 29.483 30.300 -0.189 0.000 0.870 197 R HN 0.398 nan 8.270 nan 0.000 0.445 198 L N 0.692 121.787 121.223 -0.213 0.000 2.056 198 L HA -0.037 4.246 4.340 -0.094 0.000 0.207 198 L C 1.673 178.403 176.870 -0.233 0.000 1.078 198 L CA 1.919 56.620 54.840 -0.232 0.000 0.749 198 L CB -0.648 41.239 42.059 -0.287 0.000 0.901 198 L HN 0.086 nan 8.230 nan 0.000 0.433 199 K N -1.312 118.937 120.400 -0.251 0.000 2.063 199 K HA -0.192 4.071 4.320 -0.094 0.000 0.208 199 K C 2.141 178.674 176.600 -0.112 0.000 1.048 199 K CA 1.967 58.151 56.287 -0.172 0.000 0.928 199 K CB -0.387 31.968 32.500 -0.242 0.000 0.713 199 K HN 0.464 nan 8.250 nan 0.000 0.442 200 c N -0.154 118.370 118.600 -0.127 0.000 2.457 200 c HA 0.009 4.522 4.570 -0.094 0.000 0.278 200 c C 2.761 176.791 174.090 -0.099 0.000 1.309 200 c CA 0.559 56.834 56.329 -0.090 0.000 1.735 200 c CB -0.793 41.690 42.510 -0.045 0.000 1.992 200 c HN 0.554 nan 8.230 nan 0.000 0.493 201 A N 0.778 123.516 122.820 -0.136 0.000 1.877 201 A HA -0.140 4.123 4.320 -0.094 0.000 0.216 201 A C 2.251 179.865 177.584 0.049 0.000 1.186 201 A CA 2.284 54.269 52.037 -0.086 0.000 0.620 201 A CB -0.842 18.105 19.000 -0.088 0.000 0.822 201 A HN 0.545 nan 8.150 nan 0.000 0.443 202 S N 0.137 115.895 115.700 0.096 0.000 2.359 202 S HA -0.185 4.228 4.470 -0.094 0.000 0.222 202 S C 1.880 176.610 174.600 0.216 0.000 1.038 202 S CA 1.660 60.007 58.200 0.244 0.000 1.051 202 S CB -0.658 62.621 63.200 0.132 0.000 0.944 202 S HN 0.480 nan 8.310 nan 0.000 0.433 203 L N 1.268 122.554 121.223 0.104 0.000 1.971 203 L HA -0.264 4.020 4.340 -0.094 0.000 0.215 203 L C 2.908 179.795 176.870 0.029 0.000 1.072 203 L CA 1.656 56.519 54.840 0.039 0.000 0.758 203 L CB -0.613 41.387 42.059 -0.099 0.000 0.889 203 L HN 0.391 nan 8.230 nan 0.000 0.433 204 Q N -0.835 118.963 119.800 -0.003 0.000 2.046 204 Q HA -0.186 4.097 4.340 -0.094 0.000 0.200 204 Q C 2.460 178.405 176.000 -0.092 0.000 0.975 204 Q CA 1.777 57.563 55.803 -0.028 0.000 0.836 204 Q CB -0.027 28.694 28.738 -0.028 0.000 0.896 204 Q HN 0.255 nan 8.270 nan 0.000 0.428 205 K N -0.514 119.780 120.400 -0.177 0.000 2.166 205 K HA 0.041 4.305 4.320 -0.094 0.000 0.201 205 K C 1.499 177.748 176.600 -0.585 0.000 1.052 205 K CA 0.751 56.773 56.287 -0.441 0.000 0.969 205 K CB -0.013 32.082 32.500 -0.675 0.000 0.761 205 K HN 0.249 nan 8.250 nan 0.000 0.459 206 F N -0.024 119.926 119.950 -0.000 0.000 2.721 206 F HA 0.435 4.899 4.527 -0.106 0.000 0.301 206 F C 1.222 177.042 175.800 0.034 0.000 1.096 206 F CA 0.235 58.244 58.000 0.015 0.000 1.308 206 F CB 0.443 39.451 39.000 0.013 0.000 1.086 206 F HN 0.310 nan 8.300 nan 0.000 0.587 207 G N 1.406 110.297 108.800 0.151 0.000 2.712 207 G HA2 -0.229 3.675 3.960 -0.094 0.000 0.686 207 G HA3 -0.229 3.675 3.960 -0.094 0.000 0.686 207 G C 0.580 175.578 174.900 0.163 0.000 1.321 207 G CA -0.169 45.005 45.100 0.125 0.000 0.813 207 G HN 0.460 nan 8.290 nan 0.000 0.599 208 E N -0.096 120.184 120.200 0.134 0.000 2.268 208 E HA -0.100 4.193 4.350 -0.094 0.000 0.195 208 E C 2.299 179.023 176.600 0.208 0.000 0.995 208 E CA 1.316 57.822 56.400 0.178 0.000 0.836 208 E CB -0.030 29.742 29.700 0.120 0.000 0.763 208 E HN 0.607 nan 8.360 nan 0.000 0.491 209 R N 0.457 121.053 120.500 0.159 0.000 2.120 209 R HA -0.009 4.274 4.340 -0.094 0.000 0.234 209 R C 2.245 178.637 176.300 0.154 0.000 1.123 209 R CA 1.396 57.583 56.100 0.146 0.000 0.975 209 R CB -1.122 29.250 30.300 0.120 0.000 0.866 209 R HN 0.536 nan 8.270 nan 0.000 0.446 210 A N -0.906 122.016 122.820 0.171 0.000 1.930 210 A HA 0.064 4.328 4.320 -0.094 0.000 0.215 210 A C 2.037 179.721 177.584 0.166 0.000 1.176 210 A CA 1.294 53.417 52.037 0.145 0.000 0.632 210 A CB -0.662 18.426 19.000 0.147 0.000 0.819 210 A HN 0.626 nan 8.150 nan 0.000 0.445 211 F N 0.566 120.572 119.950 0.094 0.000 2.186 211 F HA -0.059 4.401 4.527 -0.112 0.000 0.299 211 F C 2.049 177.938 175.800 0.149 0.000 1.090 211 F CA 1.922 59.981 58.000 0.099 0.000 1.307 211 F CB -0.109 38.926 39.000 0.058 0.000 1.019 211 F HN 0.096 nan 8.300 nan 0.000 0.489 212 K N 0.358 120.879 120.400 0.201 0.000 2.009 212 K HA -0.166 4.097 4.320 -0.094 0.000 0.210 212 K C 2.332 178.941 176.600 0.015 0.000 1.049 212 K CA 1.552 57.908 56.287 0.116 0.000 0.929 212 K CB -0.678 31.917 32.500 0.158 0.000 0.714 212 K HN 0.327 nan 8.250 nan 0.000 0.440 213 A N 0.057 122.906 122.820 0.049 0.000 1.908 213 A HA -0.226 4.037 4.320 -0.094 0.000 0.218 213 A C 1.976 179.532 177.584 -0.048 0.000 1.181 213 A CA 1.676 53.727 52.037 0.023 0.000 0.627 213 A CB -1.089 17.939 19.000 0.047 0.000 0.818 213 A HN 0.628 nan 8.150 nan 0.000 0.445 214 W N 0.394 121.556 121.300 -0.229 0.000 2.338 214 W HA -0.170 4.459 4.660 -0.053 0.000 0.304 214 W C 2.555 178.884 176.519 -0.316 0.000 1.212 214 W CA 2.421 59.591 57.345 -0.292 0.000 1.264 214 W CB -0.171 29.063 29.460 -0.377 0.000 1.142 214 W HN 0.380 nan 8.180 nan 0.000 0.512 215 A N -0.713 121.950 122.820 -0.260 0.000 1.873 215 A HA -0.143 4.121 4.320 -0.094 0.000 0.215 215 A C 2.020 179.477 177.584 -0.210 0.000 1.186 215 A CA 2.098 53.973 52.037 -0.271 0.000 0.616 215 A CB -1.244 17.625 19.000 -0.218 0.000 0.823 215 A HN 0.116 nan 8.150 nan 0.000 0.442 216 V N 0.109 119.951 119.914 -0.119 0.000 2.231 216 V HA -0.325 3.739 4.120 -0.094 0.000 0.248 216 V C 3.094 179.128 176.094 -0.101 0.000 1.054 216 V CA 2.283 64.566 62.300 -0.029 0.000 1.015 216 V CB -1.411 30.451 31.823 0.064 0.000 0.638 216 V HN 0.635 nan 8.190 nan 0.000 0.444 217 A N 0.091 122.786 122.820 -0.210 0.000 1.851 217 A HA -0.314 3.949 4.320 -0.094 0.000 0.216 217 A C 2.292 179.646 177.584 -0.383 0.000 1.195 217 A CA 2.569 54.431 52.037 -0.292 0.000 0.622 217 A CB -0.657 18.125 19.000 -0.362 0.000 0.831 217 A HN 0.478 nan 8.150 nan 0.000 0.444 218 R N 0.033 120.182 120.500 -0.586 0.000 2.080 218 R HA -0.079 4.205 4.340 -0.094 0.000 0.236 218 R C 2.007 178.052 176.300 -0.425 0.000 1.137 218 R CA 2.004 57.736 56.100 -0.612 0.000 0.943 218 R CB -0.887 28.860 30.300 -0.921 0.000 0.846 218 R HN 0.533 nan 8.270 nan 0.000 0.431 219 L N -0.201 120.821 121.223 -0.335 0.000 2.046 219 L HA -0.145 4.138 4.340 -0.094 0.000 0.208 219 L C 2.282 179.019 176.870 -0.221 0.000 1.077 219 L CA 1.670 56.336 54.840 -0.290 0.000 0.747 219 L CB -0.518 41.499 42.059 -0.070 0.000 0.896 219 L HN 0.230 nan 8.230 nan 0.000 0.432 220 S N -0.651 114.990 115.700 -0.097 0.000 2.419 220 S HA -0.210 4.204 4.470 -0.094 0.000 0.233 220 S C 1.914 176.423 174.600 -0.152 0.000 1.016 220 S CA 1.148 59.336 58.200 -0.019 0.000 0.974 220 S CB -0.142 63.059 63.200 0.002 0.000 0.786 220 S HN 0.476 nan 8.310 nan 0.000 0.492 221 Q N 0.354 120.013 119.800 -0.236 0.000 2.096 221 Q HA 0.081 4.365 4.340 -0.094 0.000 0.197 221 Q C 2.428 178.273 176.000 -0.259 0.000 0.964 221 Q CA 0.687 56.345 55.803 -0.241 0.000 0.838 221 Q CB -0.072 28.513 28.738 -0.256 0.000 0.906 221 Q HN 0.374 nan 8.270 nan 0.000 0.444 222 R N -0.249 120.005 120.500 -0.410 0.000 2.092 222 R HA -0.060 4.224 4.340 -0.094 0.000 0.231 222 R C -0.061 175.981 176.300 -0.430 0.000 1.119 222 R CA 0.875 56.628 56.100 -0.578 0.000 0.970 222 R CB 0.320 29.995 30.300 -1.042 0.000 0.864 222 R HN 0.074 nan 8.270 nan 0.000 0.440 223 F N -0.134 119.798 119.950 -0.030 0.000 2.471 223 F HA 0.374 4.846 4.527 -0.091 0.000 0.318 223 F C -1.951 173.854 175.800 0.009 0.000 1.308 223 F CA -3.235 54.765 58.000 -0.001 0.000 1.162 223 F CB 1.192 40.209 39.000 0.029 0.000 1.383 223 F HN -0.111 nan 8.300 nan 0.000 0.552 224 P HA -0.180 nan 4.420 nan 0.000 0.217 224 P C 1.250 178.592 177.300 0.071 0.000 1.148 224 P CA 1.693 64.799 63.100 0.009 0.000 0.828 224 P CB 0.254 31.920 31.700 -0.057 0.000 0.783 225 K N -0.742 119.720 120.400 0.104 0.000 2.296 225 K HA 0.145 4.408 4.320 -0.094 0.000 0.200 225 K C 1.142 177.824 176.600 0.137 0.000 1.048 225 K CA 0.121 56.465 56.287 0.095 0.000 0.966 225 K CB -0.322 32.213 32.500 0.059 0.000 0.754 225 K HN 0.099 nan 8.250 nan 0.000 0.466 226 A N 2.135 125.069 122.820 0.189 0.000 2.448 226 A HA -0.009 4.254 4.320 -0.094 0.000 0.239 226 A C -0.142 177.588 177.584 0.243 0.000 1.080 226 A CA 0.104 52.250 52.037 0.182 0.000 0.779 226 A CB 0.202 19.337 19.000 0.225 0.000 1.026 226 A HN 0.161 nan 8.150 nan 0.000 0.499 227 E N -0.008 120.271 120.200 0.131 0.000 2.231 227 E HA 0.262 4.555 4.350 -0.094 0.000 0.277 227 E C 0.152 176.681 176.600 -0.120 0.000 0.999 227 E CA -0.569 55.874 56.400 0.072 0.000 0.827 227 E CB 0.929 30.658 29.700 0.049 0.000 1.101 227 E HN 0.615 nan 8.360 nan 0.000 0.393 228 F N 2.937 122.515 119.950 -0.620 0.000 2.111 228 F HA -0.307 4.163 4.527 -0.096 0.000 0.300 228 F C 1.909 177.534 175.800 -0.291 0.000 1.088 228 F CA 2.248 59.784 58.000 -0.773 0.000 1.243 228 F CB -0.247 38.304 39.000 -0.749 0.000 0.996 228 F HN 0.586 nan 8.300 nan 0.000 0.483 229 A N -1.037 121.621 122.820 -0.270 0.000 2.067 229 A HA -0.138 4.125 4.320 -0.094 0.000 0.219 229 A C 2.027 179.483 177.584 -0.214 0.000 1.158 229 A CA 1.615 53.491 52.037 -0.270 0.000 0.661 229 A CB -0.649 18.299 19.000 -0.088 0.000 0.801 229 A HN 0.472 nan 8.150 nan 0.000 0.452 230 E N -0.247 119.868 120.200 -0.142 0.000 2.042 230 E HA -0.040 4.253 4.350 -0.094 0.000 0.189 230 E C 1.892 178.452 176.600 -0.065 0.000 0.974 230 E CA 1.236 57.604 56.400 -0.053 0.000 0.806 230 E CB -0.444 29.263 29.700 0.012 0.000 0.769 230 E HN 0.158 nan 8.360 nan 0.000 0.451 231 V N 0.780 120.651 119.914 -0.071 0.000 2.231 231 V HA -0.349 3.714 4.120 -0.094 0.000 0.250 231 V C 2.314 178.341 176.094 -0.111 0.000 1.058 231 V CA 2.255 64.546 62.300 -0.015 0.000 1.022 231 V CB -0.948 30.904 31.823 0.048 0.000 0.640 231 V HN 0.281 nan 8.190 nan 0.000 0.445 232 S N -0.549 114.964 115.700 -0.313 0.000 2.389 232 S HA -0.326 4.087 4.470 -0.094 0.000 0.231 232 S C 2.029 176.532 174.600 -0.160 0.000 1.052 232 S CA 1.943 59.962 58.200 -0.302 0.000 1.053 232 S CB -0.440 62.454 63.200 -0.509 0.000 0.886 232 S HN 0.507 nan 8.310 nan 0.000 0.456 233 K N 1.462 121.769 120.400 -0.155 0.000 2.009 233 K HA -0.051 4.212 4.320 -0.094 0.000 0.210 233 K C 2.064 178.599 176.600 -0.108 0.000 1.049 233 K CA 1.305 57.511 56.287 -0.135 0.000 0.929 233 K CB -0.656 31.754 32.500 -0.150 0.000 0.714 233 K HN 0.377 nan 8.250 nan 0.000 0.440 234 L N 0.695 121.883 121.223 -0.058 0.000 2.012 234 L HA -0.208 4.075 4.340 -0.094 0.000 0.210 234 L C 2.603 179.503 176.870 0.050 0.000 1.073 234 L CA 1.197 56.044 54.840 0.012 0.000 0.748 234 L CB -0.632 41.488 42.059 0.102 0.000 0.891 234 L HN -0.029 nan 8.230 nan 0.000 0.431 235 V N -0.183 119.756 119.914 0.042 0.000 2.332 235 V HA -0.286 3.777 4.120 -0.094 0.000 0.248 235 V C 2.589 178.745 176.094 0.104 0.000 1.055 235 V CA 2.369 64.717 62.300 0.080 0.000 1.038 235 V CB -0.901 30.948 31.823 0.042 0.000 0.651 235 V HN 0.555 nan 8.190 nan 0.000 0.450 236 T N -0.592 113.987 114.554 0.040 0.000 2.708 236 T HA -0.200 4.094 4.350 -0.094 0.000 0.266 236 T C 1.596 176.327 174.700 0.052 0.000 1.037 236 T CA 1.678 63.803 62.100 0.041 0.000 1.146 236 T CB -0.368 68.495 68.868 -0.008 0.000 0.865 236 T HN 0.447 nan 8.240 nan 0.000 0.435 237 D N 1.038 121.452 120.400 0.024 0.000 2.077 237 D HA -0.024 4.559 4.640 -0.094 0.000 0.193 237 D C 2.115 178.467 176.300 0.087 0.000 0.989 237 D CA 0.505 54.519 54.000 0.023 0.000 0.831 237 D CB -0.766 40.019 40.800 -0.025 0.000 0.979 237 D HN 0.059 nan 8.370 nan 0.000 0.449 238 L N 1.104 122.414 121.223 0.145 0.000 2.030 238 L HA -0.268 4.015 4.340 -0.094 0.000 0.222 238 L C 2.299 179.362 176.870 0.321 0.000 1.082 238 L CA 1.966 56.962 54.840 0.260 0.000 0.785 238 L CB -1.252 40.997 42.059 0.317 0.000 0.895 238 L HN 0.058 nan 8.230 nan 0.000 0.439 239 T N -1.007 113.750 114.554 0.340 0.000 2.635 239 T HA -0.311 3.982 4.350 -0.094 0.000 0.267 239 T C 2.005 176.720 174.700 0.025 0.000 1.040 239 T CA 2.226 64.468 62.100 0.237 0.000 1.156 239 T CB -0.366 68.660 68.868 0.264 0.000 0.863 239 T HN 0.347 nan 8.240 nan 0.000 0.430 240 K N 0.704 121.131 120.400 0.045 0.000 2.074 240 K HA -0.136 4.127 4.320 -0.094 0.000 0.209 240 K C 2.343 178.932 176.600 -0.018 0.000 1.048 240 K CA 1.479 57.767 56.287 0.001 0.000 0.926 240 K CB -1.160 31.344 32.500 0.008 0.000 0.713 240 K HN 0.340 nan 8.250 nan 0.000 0.444 241 V N 1.148 121.058 119.914 -0.007 0.000 2.214 241 V HA -0.297 3.766 4.120 -0.094 0.000 0.247 241 V C 2.617 178.635 176.094 -0.126 0.000 1.051 241 V CA 2.454 64.718 62.300 -0.062 0.000 1.003 241 V CB -0.779 30.993 31.823 -0.084 0.000 0.635 241 V HN 0.663 nan 8.190 nan 0.000 0.447 242 H N -0.049 118.988 119.070 -0.054 0.000 2.422 242 H HA -0.134 4.367 4.556 -0.092 0.000 0.298 242 H C 2.416 177.625 175.328 -0.198 0.000 1.098 242 H CA 1.978 57.920 56.048 -0.178 0.000 1.315 242 H CB -0.517 29.014 29.762 -0.385 0.000 1.382 242 H HN 0.469 nan 8.280 nan 0.000 0.523 243 T N 0.674 115.163 114.554 -0.108 0.000 2.788 243 T HA -0.111 4.182 4.350 -0.094 0.000 0.268 243 T C 1.884 176.576 174.700 -0.013 0.000 1.044 243 T CA 1.290 63.338 62.100 -0.087 0.000 1.139 243 T CB 0.040 68.861 68.868 -0.079 0.000 0.867 243 T HN 0.533 nan 8.240 nan 0.000 0.454 244 E N 0.153 120.345 120.200 -0.015 0.000 2.016 244 E HA -0.058 4.236 4.350 -0.094 0.000 0.190 244 E C 2.545 179.169 176.600 0.040 0.000 0.985 244 E CA 0.858 57.266 56.400 0.014 0.000 0.802 244 E CB -0.375 29.316 29.700 -0.016 0.000 0.762 244 E HN 0.339 nan 8.360 nan 0.000 0.448 245 c N 0.778 119.392 118.600 0.024 0.000 2.385 245 c HA -0.225 4.289 4.570 -0.094 0.000 0.275 245 c C 2.911 177.035 174.090 0.057 0.000 1.207 245 c CA 0.799 57.160 56.329 0.054 0.000 1.760 245 c CB -0.808 41.786 42.510 0.141 0.000 2.051 245 c HN 0.618 nan 8.230 nan 0.000 0.467 246 c N -1.964 116.684 118.600 0.081 0.000 2.446 246 c HA -0.076 4.437 4.570 -0.094 0.000 0.279 246 c C 2.303 176.455 174.090 0.102 0.000 1.366 246 c CA 1.149 57.544 56.329 0.111 0.000 1.763 246 c CB -1.931 40.642 42.510 0.104 0.000 1.929 246 c HN 0.779 nan 8.230 nan 0.000 0.509 247 H N -0.010 119.068 119.070 0.014 0.000 2.547 247 H HA 0.257 4.755 4.556 -0.096 0.000 0.266 247 H C 1.678 177.022 175.328 0.027 0.000 0.988 247 H CA 1.015 57.082 56.048 0.031 0.000 1.147 247 H CB -0.199 29.589 29.762 0.043 0.000 1.365 247 H HN 0.413 nan 8.280 nan 0.000 0.589 248 G N 0.504 109.303 108.800 -0.001 0.000 2.157 248 G HA2 -0.230 3.673 3.960 -0.094 0.000 0.239 248 G HA3 -0.230 3.673 3.960 -0.094 0.000 0.239 248 G C -0.319 174.539 174.900 -0.070 0.000 0.982 248 G CA 0.194 45.213 45.100 -0.136 0.000 0.650 248 G HN 0.506 nan 8.290 nan 0.000 0.527 249 D N 1.430 121.845 120.400 0.025 0.000 2.713 249 D HA 0.309 4.892 4.640 -0.094 0.000 0.229 249 D C 2.123 178.353 176.300 -0.117 0.000 1.136 249 D CA -0.350 53.613 54.000 -0.062 0.000 1.010 249 D CB 0.099 40.904 40.800 0.009 0.000 1.084 249 D HN 0.353 nan 8.370 nan 0.000 0.495 250 L N -0.152 120.959 121.223 -0.187 0.000 2.043 250 L HA -0.217 4.066 4.340 -0.094 0.000 0.212 250 L C 2.333 179.121 176.870 -0.137 0.000 1.075 250 L CA 1.079 55.822 54.840 -0.161 0.000 0.752 250 L CB -0.396 41.538 42.059 -0.208 0.000 0.891 250 L HN 0.287 nan 8.230 nan 0.000 0.432 251 L N -0.111 121.014 121.223 -0.164 0.000 1.955 251 L HA -0.215 4.068 4.340 -0.094 0.000 0.213 251 L C 2.847 179.667 176.870 -0.083 0.000 1.072 251 L CA 1.574 56.344 54.840 -0.117 0.000 0.755 251 L CB -0.939 41.059 42.059 -0.101 0.000 0.888 251 L HN 0.393 nan 8.230 nan 0.000 0.432 252 E N 0.041 120.184 120.200 -0.094 0.000 2.209 252 E HA -0.281 4.012 4.350 -0.094 0.000 0.196 252 E C 2.320 178.887 176.600 -0.055 0.000 0.993 252 E CA 1.669 58.019 56.400 -0.083 0.000 0.819 252 E CB -1.251 28.394 29.700 -0.091 0.000 0.745 252 E HN 0.593 nan 8.360 nan 0.000 0.477 253 c N 1.576 120.144 118.600 -0.054 0.000 2.432 253 c HA 0.099 4.612 4.570 -0.094 0.000 0.277 253 c C 3.080 177.150 174.090 -0.033 0.000 1.249 253 c CA 1.544 57.853 56.329 -0.034 0.000 1.725 253 c CB -1.090 41.408 42.510 -0.020 0.000 2.028 253 c HN 0.558 nan 8.230 nan 0.000 0.477 254 A N -0.273 122.518 122.820 -0.049 0.000 1.933 254 A HA -0.150 4.113 4.320 -0.094 0.000 0.218 254 A C 2.046 179.620 177.584 -0.016 0.000 1.175 254 A CA 2.118 54.128 52.037 -0.046 0.000 0.628 254 A CB -0.762 18.208 19.000 -0.050 0.000 0.814 254 A HN 0.730 nan 8.150 nan 0.000 0.444 255 D N 0.167 120.560 120.400 -0.011 0.000 2.083 255 D HA -0.145 4.438 4.640 -0.094 0.000 0.199 255 D C 1.306 177.619 176.300 0.021 0.000 0.980 255 D CA 1.404 55.412 54.000 0.013 0.000 0.851 255 D CB -0.333 40.469 40.800 0.003 0.000 0.997 255 D HN 0.341 nan 8.370 nan 0.000 0.449 256 D N 0.410 120.815 120.400 0.009 0.000 2.170 256 D HA -0.228 4.355 4.640 -0.094 0.000 0.193 256 D C 2.102 178.421 176.300 0.031 0.000 1.004 256 D CA 0.786 54.797 54.000 0.018 0.000 0.860 256 D CB -0.297 40.505 40.800 0.004 0.000 0.931 256 D HN 0.289 nan 8.370 nan 0.000 0.448 257 R N 0.816 121.331 120.500 0.024 0.000 2.091 257 R HA -0.145 4.139 4.340 -0.094 0.000 0.238 257 R C 2.176 178.508 176.300 0.053 0.000 1.136 257 R CA 1.611 57.736 56.100 0.042 0.000 0.959 257 R CB -0.126 30.182 30.300 0.013 0.000 0.856 257 R HN 0.136 nan 8.270 nan 0.000 0.437 258 A N 1.204 124.050 122.820 0.043 0.000 1.873 258 A HA -0.152 4.111 4.320 -0.094 0.000 0.215 258 A C 1.658 179.283 177.584 0.068 0.000 1.186 258 A CA 1.694 53.763 52.037 0.053 0.000 0.616 258 A CB -0.519 18.510 19.000 0.048 0.000 0.823 258 A HN 0.400 nan 8.150 nan 0.000 0.442 259 D N -0.265 120.175 120.400 0.068 0.000 2.158 259 D HA -0.165 4.418 4.640 -0.094 0.000 0.197 259 D C 1.759 178.123 176.300 0.107 0.000 0.995 259 D CA 1.346 55.395 54.000 0.082 0.000 0.846 259 D CB -0.411 40.431 40.800 0.069 0.000 0.941 259 D HN 0.348 nan 8.370 nan 0.000 0.456 260 L N 0.724 122.004 121.223 0.094 0.000 2.093 260 L HA 0.006 4.290 4.340 -0.094 0.000 0.208 260 L C 2.084 179.045 176.870 0.152 0.000 1.085 260 L CA 1.546 56.456 54.840 0.117 0.000 0.755 260 L CB -0.745 41.372 42.059 0.096 0.000 0.904 260 L HN -0.027 nan 8.230 nan 0.000 0.435 261 A N -0.681 122.209 122.820 0.116 0.000 1.968 261 A HA -0.195 4.069 4.320 -0.094 0.000 0.217 261 A C 2.395 180.032 177.584 0.088 0.000 1.169 261 A CA 1.582 53.679 52.037 0.099 0.000 0.638 261 A CB -0.520 18.527 19.000 0.077 0.000 0.812 261 A HN 0.517 nan 8.150 nan 0.000 0.446 262 K N -1.361 119.096 120.400 0.095 0.000 1.985 262 K HA -0.227 4.036 4.320 -0.094 0.000 0.210 262 K C 1.933 178.580 176.600 0.079 0.000 1.047 262 K CA 1.811 58.143 56.287 0.076 0.000 0.932 262 K CB -0.539 32.011 32.500 0.083 0.000 0.716 262 K HN 0.416 nan 8.250 nan 0.000 0.439 263 Y N 1.818 122.125 120.300 0.012 0.000 2.014 263 Y HA -0.300 4.193 4.550 -0.095 0.000 0.272 263 Y C 2.037 177.927 175.900 -0.015 0.000 1.164 263 Y CA 2.396 60.497 58.100 0.002 0.000 1.114 263 Y CB -0.420 38.044 38.460 0.007 0.000 0.961 263 Y HN 0.099 nan 8.280 nan 0.000 0.489 264 I N -0.808 119.875 120.570 0.190 0.000 2.229 264 I HA -0.470 3.643 4.170 -0.094 0.000 0.250 264 I C 2.493 178.553 176.117 -0.095 0.000 1.096 264 I CA 1.574 62.900 61.300 0.043 0.000 1.358 264 I CB -0.735 37.316 38.000 0.084 0.000 1.047 264 I HN 0.438 nan 8.210 nan 0.000 0.422 265 c N 0.365 118.926 118.600 -0.064 0.000 2.475 265 c HA -0.073 4.441 4.570 -0.094 0.000 0.279 265 c C 2.609 176.630 174.090 -0.114 0.000 1.322 265 c CA 0.429 56.714 56.329 -0.072 0.000 1.734 265 c CB -0.833 41.660 42.510 -0.030 0.000 2.005 265 c HN 0.488 nan 8.230 nan 0.000 0.495 266 E N 1.296 121.403 120.200 -0.156 0.000 2.007 266 E HA -0.173 4.120 4.350 -0.094 0.000 0.194 266 E C 0.823 177.287 176.600 -0.227 0.000 0.999 266 E CA 1.325 57.616 56.400 -0.182 0.000 0.811 266 E CB -0.298 29.267 29.700 -0.224 0.000 0.762 266 E HN 0.653 nan 8.360 nan 0.000 0.450 267 N N 1.285 119.766 118.700 -0.365 0.000 2.441 267 N HA -0.022 4.662 4.740 -0.094 0.000 0.225 267 N C 0.810 176.188 175.510 -0.220 0.000 1.208 267 N CA -0.005 52.852 53.050 -0.322 0.000 0.847 267 N CB 0.172 38.363 38.487 -0.493 0.000 1.121 267 N HN 0.174 nan 8.380 nan 0.000 0.479 268 Q N 0.793 120.487 119.800 -0.176 0.000 2.047 268 Q HA -0.250 4.033 4.340 -0.094 0.000 0.211 268 Q C 0.695 176.617 176.000 -0.131 0.000 1.005 268 Q CA 1.746 57.462 55.803 -0.145 0.000 0.866 268 Q CB 0.010 28.687 28.738 -0.102 0.000 0.938 268 Q HN 0.531 nan 8.270 nan 0.000 0.414 269 D N -0.474 119.867 120.400 -0.099 0.000 2.190 269 D HA -0.125 4.459 4.640 -0.094 0.000 0.200 269 D C 1.834 178.092 176.300 -0.071 0.000 0.992 269 D CA 1.318 55.274 54.000 -0.073 0.000 0.854 269 D CB -0.109 40.657 40.800 -0.056 0.000 0.936 269 D HN 0.174 nan 8.370 nan 0.000 0.462 270 S N -0.099 115.549 115.700 -0.087 0.000 2.461 270 S HA 0.038 4.452 4.470 -0.094 0.000 0.228 270 S C 2.043 176.596 174.600 -0.080 0.000 1.005 270 S CA 0.268 58.429 58.200 -0.065 0.000 0.942 270 S CB 0.372 63.536 63.200 -0.060 0.000 0.776 270 S HN 0.240 nan 8.310 nan 0.000 0.514 271 I N -0.707 119.769 120.570 -0.158 0.000 3.098 271 I HA 0.184 4.298 4.170 -0.094 0.000 0.241 271 I C 0.885 176.823 176.117 -0.297 0.000 1.081 271 I CA 0.246 61.375 61.300 -0.284 0.000 1.487 271 I CB 0.273 37.973 38.000 -0.499 0.000 1.366 271 I HN 0.096 nan 8.210 nan 0.000 0.463 272 S N -0.930 114.590 115.700 -0.299 0.000 2.588 272 S HA 0.313 4.726 4.470 -0.094 0.000 0.275 272 S C 0.392 174.955 174.600 -0.061 0.000 1.130 272 S CA -0.142 57.988 58.200 -0.117 0.000 0.855 272 S CB 1.556 64.727 63.200 -0.047 0.000 1.116 272 S HN 0.253 nan 8.310 nan 0.000 0.472 273 S N 1.860 117.558 115.700 -0.003 0.000 2.535 273 S HA 0.232 4.645 4.470 -0.094 0.000 0.214 273 S C 0.628 175.231 174.600 0.006 0.000 0.980 273 S CA -0.203 57.993 58.200 -0.007 0.000 0.907 273 S CB -0.200 62.999 63.200 -0.001 0.000 0.790 273 S HN 0.659 nan 8.310 nan 0.000 0.510 274 K N 1.006 121.424 120.400 0.029 0.000 2.410 274 K HA 0.361 4.624 4.320 -0.094 0.000 0.200 274 K C 0.772 177.392 176.600 0.034 0.000 1.023 274 K CA -0.084 56.224 56.287 0.035 0.000 1.149 274 K CB 0.017 32.549 32.500 0.052 0.000 0.859 274 K HN 0.388 nan 8.250 nan 0.000 0.514 275 L N 0.978 122.208 121.223 0.012 0.000 2.446 275 L HA -0.081 4.203 4.340 -0.094 0.000 0.219 275 L C 2.734 179.601 176.870 -0.004 0.000 1.116 275 L CA 0.582 55.422 54.840 0.001 0.000 0.844 275 L CB -0.624 41.407 42.059 -0.047 0.000 0.970 275 L HN 0.170 nan 8.230 nan 0.000 0.457 276 K N 0.954 121.350 120.400 -0.008 0.000 1.990 276 K HA -0.332 3.931 4.320 -0.094 0.000 0.225 276 K C 2.148 178.749 176.600 0.003 0.000 1.053 276 K CA 2.642 58.925 56.287 -0.006 0.000 0.982 276 K CB -1.742 30.755 32.500 -0.005 0.000 0.734 276 K HN 0.424 nan 8.250 nan 0.000 0.448 277 E N -0.137 120.068 120.200 0.009 0.000 2.169 277 E HA -0.245 4.048 4.350 -0.094 0.000 0.202 277 E C 2.335 178.946 176.600 0.019 0.000 1.016 277 E CA 1.977 58.385 56.400 0.015 0.000 0.817 277 E CB -1.644 28.067 29.700 0.018 0.000 0.736 277 E HN 0.746 nan 8.360 nan 0.000 0.462 278 c N -0.720 117.890 118.600 0.017 0.000 2.457 278 c HA -0.023 4.490 4.570 -0.094 0.000 0.278 278 c C 2.705 176.807 174.090 0.019 0.000 1.309 278 c CA 0.648 56.989 56.329 0.019 0.000 1.735 278 c CB -0.843 41.678 42.510 0.019 0.000 1.992 278 c HN 0.822 nan 8.230 nan 0.000 0.493 279 c N 1.003 119.610 118.600 0.011 0.000 2.576 279 c HA 0.047 4.561 4.570 -0.094 0.000 0.267 279 c C 1.645 175.742 174.090 0.011 0.000 1.364 279 c CA 0.436 56.769 56.329 0.008 0.000 1.723 279 c CB -1.543 40.963 42.510 -0.007 0.000 1.778 279 c HN 0.563 nan 8.230 nan 0.000 0.572 280 E N 1.490 121.699 120.200 0.016 0.000 2.437 280 E HA 0.104 4.397 4.350 -0.094 0.000 0.195 280 E C 0.386 177.002 176.600 0.027 0.000 1.029 280 E CA 0.217 56.627 56.400 0.018 0.000 0.948 280 E CB 0.126 29.835 29.700 0.015 0.000 1.082 280 E HN 0.785 nan 8.360 nan 0.000 0.456 281 K N -0.640 119.781 120.400 0.034 0.000 2.399 281 K HA 0.633 4.896 4.320 -0.094 0.000 0.260 281 K C -2.947 173.683 176.600 0.051 0.000 1.049 281 K CA -2.273 54.041 56.287 0.045 0.000 0.890 281 K CB 0.261 32.795 32.500 0.055 0.000 1.430 281 K HN -0.330 nan 8.250 nan 0.000 0.459 282 P HA -0.092 nan 4.420 nan 0.000 0.265 282 P C 0.752 178.097 177.300 0.076 0.000 1.187 282 P CA -0.342 62.799 63.100 0.068 0.000 0.766 282 P CB 0.321 32.067 31.700 0.076 0.000 0.820 283 L N 5.125 126.389 121.223 0.068 0.000 2.012 283 L HA -0.286 3.997 4.340 -0.094 0.000 0.236 283 L C 1.861 178.781 176.870 0.084 0.000 1.099 283 L CA 2.114 56.994 54.840 0.067 0.000 0.821 283 L CB -1.519 40.578 42.059 0.063 0.000 0.918 283 L HN 0.373 nan 8.230 nan 0.000 0.445 284 L N -1.018 120.273 121.223 0.113 0.000 2.089 284 L HA -0.274 4.009 4.340 -0.094 0.000 0.213 284 L C 2.574 179.558 176.870 0.190 0.000 1.079 284 L CA 2.149 57.093 54.840 0.174 0.000 0.758 284 L CB -0.876 41.321 42.059 0.230 0.000 0.891 284 L HN 0.476 nan 8.230 nan 0.000 0.433 285 E N -0.477 119.839 120.200 0.192 0.000 2.158 285 E HA -0.151 4.142 4.350 -0.094 0.000 0.191 285 E C 2.041 178.667 176.600 0.043 0.000 0.982 285 E CA 0.594 57.084 56.400 0.150 0.000 0.823 285 E CB 0.042 29.864 29.700 0.204 0.000 0.766 285 E HN 0.293 nan 8.360 nan 0.000 0.468 286 K N 0.293 120.725 120.400 0.053 0.000 1.985 286 K HA -0.104 4.159 4.320 -0.094 0.000 0.210 286 K C 2.144 178.753 176.600 0.015 0.000 1.047 286 K CA 1.649 57.957 56.287 0.034 0.000 0.932 286 K CB -0.151 32.373 32.500 0.041 0.000 0.716 286 K HN -0.040 nan 8.250 nan 0.000 0.439 287 S N -0.117 115.597 115.700 0.023 0.000 2.359 287 S HA -0.253 4.160 4.470 -0.094 0.000 0.222 287 S C 1.850 176.437 174.600 -0.022 0.000 1.038 287 S CA 1.908 60.122 58.200 0.024 0.000 1.051 287 S CB -0.673 62.548 63.200 0.035 0.000 0.944 287 S HN 0.570 nan 8.310 nan 0.000 0.433 288 H N -0.343 118.591 119.070 -0.227 0.000 2.489 288 H HA -0.077 4.419 4.556 -0.100 0.000 0.295 288 H C 2.292 177.470 175.328 -0.250 0.000 1.082 288 H CA 1.568 57.385 56.048 -0.386 0.000 1.295 288 H CB -0.508 28.576 29.762 -1.129 0.000 1.380 288 H HN 0.448 nan 8.280 nan 0.000 0.548 289 c N -0.531 117.955 118.600 -0.191 0.000 2.500 289 c HA 0.037 4.550 4.570 -0.094 0.000 0.279 289 c C 2.673 176.710 174.090 -0.088 0.000 1.288 289 c CA 0.582 56.832 56.329 -0.132 0.000 1.710 289 c CB -1.182 41.313 42.510 -0.024 0.000 2.052 289 c HN 0.693 nan 8.230 nan 0.000 0.488 290 I N 1.853 122.407 120.570 -0.026 0.000 2.208 290 I HA -0.167 3.946 4.170 -0.094 0.000 0.245 290 I C 2.847 178.995 176.117 0.052 0.000 1.097 290 I CA 1.746 63.076 61.300 0.050 0.000 1.363 290 I CB -0.668 37.383 38.000 0.085 0.000 1.051 290 I HN 0.395 nan 8.210 nan 0.000 0.413 291 A N -0.059 122.760 122.820 -0.001 0.000 2.019 291 A HA -0.132 4.131 4.320 -0.094 0.000 0.219 291 A C 1.803 179.351 177.584 -0.060 0.000 1.164 291 A CA 1.410 53.450 52.037 0.006 0.000 0.644 291 A CB -0.231 18.787 19.000 0.030 0.000 0.805 291 A HN 0.411 nan 8.150 nan 0.000 0.449 292 E N -0.485 119.629 120.200 -0.142 0.000 2.651 292 E HA 0.199 4.492 4.350 -0.094 0.000 0.208 292 E C -0.541 176.011 176.600 -0.079 0.000 0.997 292 E CA -0.178 56.139 56.400 -0.137 0.000 1.020 292 E CB 0.473 30.021 29.700 -0.254 0.000 1.052 292 E HN 0.249 nan 8.360 nan 0.000 0.465 293 V N 1.568 121.460 119.914 -0.038 0.000 2.649 293 V HA 0.295 4.358 4.120 -0.094 0.000 0.292 293 V C 0.243 176.326 176.094 -0.019 0.000 1.055 293 V CA 0.112 62.413 62.300 0.001 0.000 1.023 293 V CB 1.010 32.880 31.823 0.078 0.000 0.992 293 V HN 0.383 nan 8.190 nan 0.000 0.480 294 E N 5.065 125.257 120.200 -0.012 0.000 2.404 294 E HA 0.213 4.507 4.350 -0.094 0.000 0.261 294 E C 0.129 176.710 176.600 -0.032 0.000 1.074 294 E CA -0.451 55.929 56.400 -0.033 0.000 0.917 294 E CB 0.041 29.729 29.700 -0.021 0.000 0.965 294 E HN 0.871 nan 8.360 nan 0.000 0.433 295 N N 2.164 120.820 118.700 -0.074 0.000 2.441 295 N HA 0.050 4.734 4.740 -0.094 0.000 0.251 295 N C -0.322 175.180 175.510 -0.013 0.000 1.242 295 N CA -0.242 52.760 53.050 -0.081 0.000 0.898 295 N CB 0.614 39.030 38.487 -0.120 0.000 1.100 295 N HN 0.721 nan 8.380 nan 0.000 0.443 296 D N 0.546 120.970 120.400 0.040 0.000 2.358 296 D HA 0.176 4.759 4.640 -0.094 0.000 0.244 296 D C 0.176 176.478 176.300 0.003 0.000 1.163 296 D CA -0.039 53.993 54.000 0.053 0.000 0.945 296 D CB 0.548 41.415 40.800 0.111 0.000 1.152 296 D HN 0.552 nan 8.370 nan 0.000 0.451 297 E N 1.268 121.466 120.200 -0.003 0.000 2.422 297 E HA 0.132 4.425 4.350 -0.094 0.000 0.260 297 E C 0.208 176.787 176.600 -0.034 0.000 1.108 297 E CA -0.147 56.237 56.400 -0.026 0.000 0.943 297 E CB 0.190 29.877 29.700 -0.021 0.000 0.961 297 E HN 0.580 nan 8.360 nan 0.000 0.443 298 M N 1.918 121.483 119.600 -0.058 0.000 2.162 298 M HA 0.298 4.721 4.480 -0.094 0.000 0.356 298 M C -2.190 174.074 176.300 -0.060 0.000 1.303 298 M CA -1.570 53.684 55.300 -0.075 0.000 1.116 298 M CB 1.007 33.539 32.600 -0.114 0.000 1.632 298 M HN 0.301 nan 8.290 nan 0.000 0.469 299 P HA -0.017 nan 4.420 nan 0.000 0.261 299 P C -0.275 176.997 177.300 -0.046 0.000 1.173 299 P CA 0.063 63.142 63.100 -0.035 0.000 0.760 299 P CB 0.515 32.201 31.700 -0.024 0.000 0.783 300 A N 3.800 126.600 122.820 -0.034 0.000 2.365 300 A HA -0.086 4.178 4.320 -0.094 0.000 0.201 300 A C 1.258 178.818 177.584 -0.039 0.000 1.169 300 A CA 1.941 53.957 52.037 -0.036 0.000 0.869 300 A CB -1.870 17.116 19.000 -0.024 0.000 0.810 300 A HN 0.602 nan 8.150 nan 0.000 0.540 301 D N -0.316 120.067 120.400 -0.028 0.000 2.359 301 D HA 0.530 5.113 4.640 -0.094 0.000 0.250 301 D C -0.479 175.804 176.300 -0.028 0.000 1.264 301 D CA 0.028 54.011 54.000 -0.027 0.000 0.911 301 D CB -0.292 40.497 40.800 -0.017 0.000 1.056 301 D HN 0.401 nan 8.370 nan 0.000 0.499 302 L N 2.906 124.103 121.223 -0.042 0.000 2.341 302 L HA 0.527 4.810 4.340 -0.094 0.000 0.278 302 L C -1.464 175.383 176.870 -0.038 0.000 1.005 302 L CA -1.545 53.268 54.840 -0.045 0.000 0.818 302 L CB 2.325 44.337 42.059 -0.079 0.000 1.259 302 L HN 0.519 nan 8.230 nan 0.000 0.418 303 P HA 0.048 nan 4.420 nan 0.000 0.271 303 P C -0.543 176.749 177.300 -0.012 0.000 1.244 303 P CA -0.354 62.740 63.100 -0.009 0.000 0.793 303 P CB 0.909 32.612 31.700 0.005 0.000 0.984 304 S N -0.550 115.151 115.700 0.003 0.000 2.562 304 S HA 0.175 4.588 4.470 -0.094 0.000 0.275 304 S C 1.504 176.142 174.600 0.064 0.000 1.281 304 S CA -0.742 57.467 58.200 0.015 0.000 1.045 304 S CB 0.023 63.233 63.200 0.017 0.000 0.962 304 S HN 0.391 nan 8.310 nan 0.000 0.503 305 L N 4.153 125.438 121.223 0.103 0.000 2.042 305 L HA -0.115 4.169 4.340 -0.094 0.000 0.210 305 L C 2.876 179.940 176.870 0.324 0.000 1.076 305 L CA 1.734 56.734 54.840 0.266 0.000 0.749 305 L CB -0.821 41.372 42.059 0.223 0.000 0.893 305 L HN 0.899 nan 8.230 nan 0.000 0.432 306 A N 0.014 122.915 122.820 0.136 0.000 1.958 306 A HA -0.319 3.944 4.320 -0.094 0.000 0.221 306 A C 2.519 180.113 177.584 0.016 0.000 1.178 306 A CA 2.074 54.065 52.037 -0.077 0.000 0.642 306 A CB -0.886 17.987 19.000 -0.211 0.000 0.816 306 A HN 0.464 nan 8.150 nan 0.000 0.453 307 A N 0.228 123.068 122.820 0.033 0.000 1.863 307 A HA -0.279 3.984 4.320 -0.094 0.000 0.218 307 A C 1.646 179.222 177.584 -0.014 0.000 1.233 307 A CA 2.056 54.100 52.037 0.013 0.000 0.655 307 A CB -0.707 18.298 19.000 0.007 0.000 0.839 307 A HN 0.562 nan 8.150 nan 0.000 0.454 308 D N -2.300 118.043 120.400 -0.096 0.000 2.349 308 D HA 0.164 4.747 4.640 -0.094 0.000 0.214 308 D C 0.562 176.606 176.300 -0.426 0.000 1.063 308 D CA 0.387 54.215 54.000 -0.286 0.000 0.847 308 D CB 0.074 40.599 40.800 -0.458 0.000 0.933 308 D HN 0.482 nan 8.370 nan 0.000 0.513 309 F N 0.028 120.071 119.950 0.155 0.000 2.724 309 F HA 0.046 4.518 4.527 -0.093 0.000 0.306 309 F C 1.824 177.701 175.800 0.128 0.000 1.100 309 F CA -0.145 57.972 58.000 0.195 0.000 1.255 309 F CB 0.580 39.686 39.000 0.176 0.000 1.072 309 F HN -0.133 nan 8.300 nan 0.000 0.589 310 V N -4.621 115.393 119.914 0.168 0.000 3.161 310 V HA 0.248 4.312 4.120 -0.094 0.000 0.228 310 V C 1.493 177.686 176.094 0.165 0.000 1.415 310 V CA 0.172 62.528 62.300 0.094 0.000 1.285 310 V CB 0.033 31.802 31.823 -0.089 0.000 1.100 310 V HN 0.005 nan 8.190 nan 0.000 0.478 311 E N 1.973 122.235 120.200 0.103 0.000 2.051 311 E HA 0.052 4.346 4.350 -0.094 0.000 0.189 311 E C 1.387 178.133 176.600 0.243 0.000 0.979 311 E CA 1.041 57.545 56.400 0.174 0.000 0.803 311 E CB -0.029 29.727 29.700 0.093 0.000 0.761 311 E HN 0.636 nan 8.360 nan 0.000 0.451 312 S N -0.148 115.644 115.700 0.154 0.000 2.542 312 S HA -0.028 4.386 4.470 -0.094 0.000 0.287 312 S C 0.879 175.623 174.600 0.239 0.000 1.315 312 S CA 0.873 59.156 58.200 0.138 0.000 1.037 312 S CB 0.977 64.216 63.200 0.066 0.000 0.822 312 S HN 0.253 nan 8.310 nan 0.000 0.513 313 K N 1.638 122.147 120.400 0.182 0.000 2.374 313 K HA 0.187 4.450 4.320 -0.094 0.000 0.196 313 K C 0.864 177.553 176.600 0.147 0.000 1.023 313 K CA 0.659 57.070 56.287 0.207 0.000 1.103 313 K CB -0.184 32.378 32.500 0.102 0.000 0.848 313 K HN 0.770 nan 8.250 nan 0.000 0.528 314 D N 0.114 120.570 120.400 0.093 0.000 2.349 314 D HA 0.074 4.657 4.640 -0.094 0.000 0.214 314 D C 1.585 177.873 176.300 -0.020 0.000 1.063 314 D CA 0.191 54.211 54.000 0.033 0.000 0.847 314 D CB 0.495 41.297 40.800 0.003 0.000 0.933 314 D HN 0.119 nan 8.370 nan 0.000 0.513 315 V N 0.684 120.610 119.914 0.021 0.000 2.220 315 V HA -0.387 3.677 4.120 -0.094 0.000 0.250 315 V C 2.622 178.606 176.094 -0.184 0.000 1.053 315 V CA 1.757 63.999 62.300 -0.097 0.000 1.019 315 V CB -0.920 30.812 31.823 -0.152 0.000 0.646 315 V HN 0.330 nan 8.190 nan 0.000 0.455 316 c N -0.008 118.581 118.600 -0.018 0.000 2.398 316 c HA -0.224 4.289 4.570 -0.094 0.000 0.279 316 c C 3.155 177.251 174.090 0.010 0.000 1.250 316 c CA 1.679 58.034 56.329 0.043 0.000 1.786 316 c CB -1.520 41.070 42.510 0.133 0.000 2.018 316 c HN 0.753 nan 8.230 nan 0.000 0.494 317 K N 0.617 120.997 120.400 -0.034 0.000 2.001 317 K HA -0.132 4.131 4.320 -0.094 0.000 0.208 317 K C 1.682 178.211 176.600 -0.118 0.000 1.048 317 K CA 1.790 58.047 56.287 -0.050 0.000 0.932 317 K CB -0.962 31.517 32.500 -0.034 0.000 0.715 317 K HN 0.628 nan 8.250 nan 0.000 0.437 318 N N -0.618 117.943 118.700 -0.233 0.000 2.149 318 N HA -0.142 4.541 4.740 -0.094 0.000 0.188 318 N C 1.756 177.024 175.510 -0.404 0.000 1.019 318 N CA 1.649 54.485 53.050 -0.356 0.000 0.857 318 N CB -0.389 37.746 38.487 -0.585 0.000 0.997 318 N HN 0.575 nan 8.380 nan 0.000 0.426 319 Y N 1.898 121.809 120.300 -0.649 0.000 2.128 319 Y HA -0.171 4.322 4.550 -0.095 0.000 0.284 319 Y C 2.348 178.179 175.900 -0.116 0.000 1.154 319 Y CA 1.441 59.335 58.100 -0.343 0.000 1.149 319 Y CB -0.696 37.634 38.460 -0.218 0.000 0.976 319 Y HN 0.070 nan 8.280 nan 0.000 0.505 320 A N 0.233 122.954 122.820 -0.166 0.000 1.902 320 A HA -0.152 4.111 4.320 -0.094 0.000 0.217 320 A C 2.245 179.744 177.584 -0.143 0.000 1.181 320 A CA 2.551 54.471 52.037 -0.195 0.000 0.623 320 A CB -1.499 17.448 19.000 -0.088 0.000 0.818 320 A HN 0.579 nan 8.150 nan 0.000 0.443 321 E N -0.433 119.711 120.200 -0.094 0.000 2.005 321 E HA 0.169 4.463 4.350 -0.094 0.000 0.198 321 E C 1.318 177.903 176.600 -0.025 0.000 1.010 321 E CA 1.716 58.088 56.400 -0.048 0.000 0.825 321 E CB -0.774 28.909 29.700 -0.029 0.000 0.769 321 E HN 1.540 nan 8.360 nan 0.000 0.456 322 A N 0.211 123.036 122.820 0.007 0.000 3.216 322 A HA 0.507 4.770 4.320 -0.094 0.000 0.321 322 A C 1.122 178.782 177.584 0.126 0.000 1.042 322 A CA 0.552 52.629 52.037 0.066 0.000 0.838 322 A CB 0.300 19.370 19.000 0.118 0.000 1.136 322 A HN 0.397 nan 8.150 nan 0.000 0.483 323 K N 0.403 120.811 120.400 0.013 0.000 2.089 323 K HA -0.247 4.016 4.320 -0.094 0.000 0.210 323 K C 0.742 177.492 176.600 0.250 0.000 1.048 323 K CA 2.502 58.827 56.287 0.063 0.000 0.926 323 K CB -0.072 32.232 32.500 -0.327 0.000 0.714 323 K HN 0.359 nan 8.250 nan 0.000 0.448 324 D N 0.247 120.748 120.400 0.169 0.000 2.117 324 D HA -0.104 4.479 4.640 -0.094 0.000 0.197 324 D C 2.005 178.459 176.300 0.256 0.000 0.987 324 D CA 1.419 55.537 54.000 0.196 0.000 0.829 324 D CB -0.105 40.781 40.800 0.143 0.000 0.961 324 D HN 0.147 nan 8.370 nan 0.000 0.460 325 V N 0.532 120.608 119.914 0.270 0.000 2.358 325 V HA -0.182 3.882 4.120 -0.094 0.000 0.246 325 V C 2.134 178.425 176.094 0.329 0.000 1.047 325 V CA 1.111 63.612 62.300 0.334 0.000 1.035 325 V CB -0.601 31.408 31.823 0.310 0.000 0.658 325 V HN 0.139 nan 8.190 nan 0.000 0.452 326 F N 0.361 120.435 119.950 0.207 0.000 2.046 326 F HA -0.226 4.245 4.527 -0.093 0.000 0.297 326 F C 2.203 178.179 175.800 0.293 0.000 1.123 326 F CA 1.826 59.979 58.000 0.255 0.000 1.199 326 F CB -0.075 39.116 39.000 0.318 0.000 0.972 326 F HN 0.007 nan 8.300 nan 0.000 0.474 327 L N -0.069 121.331 121.223 0.295 0.000 2.042 327 L HA -0.203 4.081 4.340 -0.094 0.000 0.210 327 L C 2.827 179.773 176.870 0.127 0.000 1.076 327 L CA 1.323 56.280 54.840 0.195 0.000 0.749 327 L CB -1.659 40.563 42.059 0.272 0.000 0.893 327 L HN 0.374 nan 8.230 nan 0.000 0.432 328 G N -0.283 108.618 108.800 0.167 0.000 2.529 328 G HA2 -0.364 3.540 3.960 -0.094 0.000 0.219 328 G HA3 -0.364 3.540 3.960 -0.094 0.000 0.219 328 G C 1.630 176.500 174.900 -0.050 0.000 1.177 328 G CA 1.121 46.339 45.100 0.196 0.000 0.773 328 G HN 0.217 nan 8.290 nan 0.000 0.573 329 M N -0.761 118.589 119.600 -0.416 0.000 2.149 329 M HA 0.000 4.424 4.480 -0.094 0.000 0.261 329 M C 2.258 178.401 176.300 -0.262 0.000 1.064 329 M CA 1.375 56.283 55.300 -0.653 0.000 1.102 329 M CB -0.221 32.077 32.600 -0.503 0.000 1.369 329 M HN 0.328 nan 8.290 nan 0.000 0.408 330 F N 0.527 120.162 119.950 -0.525 0.000 2.102 330 F HA -0.256 4.214 4.527 -0.095 0.000 0.298 330 F C 1.805 177.297 175.800 -0.515 0.000 1.105 330 F CA 1.459 58.876 58.000 -0.971 0.000 1.239 330 F CB -0.529 37.873 39.000 -0.996 0.000 0.991 330 F HN 0.033 nan 8.300 nan 0.000 0.474 331 L N 0.148 121.159 121.223 -0.353 0.000 1.970 331 L HA -0.217 4.067 4.340 -0.094 0.000 0.212 331 L C 2.381 179.083 176.870 -0.280 0.000 1.071 331 L CA 2.343 56.981 54.840 -0.337 0.000 0.751 331 L CB -1.736 40.273 42.059 -0.084 0.000 0.889 331 L HN 0.443 nan 8.230 nan 0.000 0.432 332 Y N 0.344 120.515 120.300 -0.214 0.000 2.102 332 Y HA -0.291 4.202 4.550 -0.096 0.000 0.280 332 Y C 2.371 178.166 175.900 -0.175 0.000 1.178 332 Y CA 2.313 60.348 58.100 -0.108 0.000 1.146 332 Y CB -0.274 38.221 38.460 0.058 0.000 0.968 332 Y HN 0.316 nan 8.280 nan 0.000 0.504 333 E N -0.790 119.151 120.200 -0.431 0.000 2.072 333 E HA -0.216 4.077 4.350 -0.094 0.000 0.191 333 E C 2.050 178.349 176.600 -0.503 0.000 0.985 333 E CA 1.361 57.463 56.400 -0.497 0.000 0.801 333 E CB -0.790 28.778 29.700 -0.220 0.000 0.750 333 E HN 0.633 nan 8.360 nan 0.000 0.452 334 Y N 0.843 120.716 120.300 -0.712 0.000 2.373 334 Y HA -0.021 4.472 4.550 -0.094 0.000 0.293 334 Y C 2.119 177.754 175.900 -0.441 0.000 1.129 334 Y CA 0.763 58.481 58.100 -0.638 0.000 1.226 334 Y CB -0.233 37.606 38.460 -1.036 0.000 1.000 334 Y HN 0.001 nan 8.280 nan 0.000 0.549 335 A N 0.969 123.644 122.820 -0.242 0.000 1.855 335 A HA -0.129 4.134 4.320 -0.094 0.000 0.213 335 A C 2.358 179.791 177.584 -0.251 0.000 1.195 335 A CA 1.429 53.332 52.037 -0.223 0.000 0.610 335 A CB -0.726 18.125 19.000 -0.247 0.000 0.837 335 A HN 0.498 nan 8.150 nan 0.000 0.444 336 R N 0.689 120.977 120.500 -0.353 0.000 2.133 336 R HA -0.219 4.064 4.340 -0.094 0.000 0.247 336 R C 1.655 177.778 176.300 -0.293 0.000 1.151 336 R CA 1.959 57.855 56.100 -0.339 0.000 0.971 336 R CB -0.568 29.440 30.300 -0.488 0.000 0.866 336 R HN 0.622 nan 8.270 nan 0.000 0.447 337 R N -0.493 119.809 120.500 -0.330 0.000 2.359 337 R HA 0.152 4.436 4.340 -0.094 0.000 0.231 337 R C -0.136 175.810 176.300 -0.589 0.000 0.913 337 R CA 0.063 55.923 56.100 -0.400 0.000 1.075 337 R CB 0.167 30.214 30.300 -0.421 0.000 1.087 337 R HN 0.313 nan 8.270 nan 0.000 0.515 338 H N 1.469 120.331 119.070 -0.347 0.000 2.439 338 H HA 0.201 4.700 4.556 -0.095 0.000 0.228 338 H C -2.017 173.122 175.328 -0.315 0.000 1.423 338 H CA -1.637 54.142 56.048 -0.448 0.000 1.386 338 H CB 1.770 31.091 29.762 -0.735 0.000 1.641 338 H HN 0.108 nan 8.280 nan 0.000 0.508 339 P HA -0.053 nan 4.420 nan 0.000 0.242 339 P C 0.740 178.001 177.300 -0.065 0.000 1.197 339 P CA 0.593 63.618 63.100 -0.126 0.000 0.765 339 P CB 0.346 31.960 31.700 -0.142 0.000 0.936 340 D N -2.188 118.200 120.400 -0.021 0.000 2.340 340 D HA -0.073 4.511 4.640 -0.094 0.000 0.220 340 D C 0.084 176.549 176.300 0.276 0.000 1.039 340 D CA 0.010 54.059 54.000 0.082 0.000 0.866 340 D CB -0.561 40.294 40.800 0.092 0.000 0.913 340 D HN 0.091 nan 8.370 nan 0.000 0.523 341 Y N 1.560 121.832 120.300 -0.048 0.000 2.387 341 Y HA 0.354 4.846 4.550 -0.096 0.000 0.330 341 Y C 0.958 176.780 175.900 -0.130 0.000 1.133 341 Y CA -2.472 55.567 58.100 -0.103 0.000 1.152 341 Y CB 1.575 39.940 38.460 -0.159 0.000 1.215 341 Y HN -0.125 nan 8.280 nan 0.000 0.466 342 S N 0.361 116.051 115.700 -0.016 0.000 2.592 342 S HA 0.191 4.604 4.470 -0.094 0.000 0.271 342 S C 0.925 175.468 174.600 -0.094 0.000 1.326 342 S CA -0.683 57.484 58.200 -0.054 0.000 1.024 342 S CB 1.036 64.202 63.200 -0.057 0.000 0.921 342 S HN 0.435 nan 8.310 nan 0.000 0.527 343 V N 2.578 122.418 119.914 -0.124 0.000 2.469 343 V HA -0.178 3.885 4.120 -0.094 0.000 0.251 343 V C 2.465 178.474 176.094 -0.141 0.000 1.064 343 V CA 1.952 64.109 62.300 -0.238 0.000 1.066 343 V CB -1.113 30.417 31.823 -0.487 0.000 0.667 343 V HN 0.908 nan 8.190 nan 0.000 0.461 344 V N -2.070 117.823 119.914 -0.034 0.000 2.591 344 V HA -0.084 3.979 4.120 -0.094 0.000 0.249 344 V C 2.287 178.306 176.094 -0.126 0.000 1.053 344 V CA 1.508 63.787 62.300 -0.034 0.000 1.068 344 V CB -0.667 31.152 31.823 -0.006 0.000 0.689 344 V HN 0.436 nan 8.190 nan 0.000 0.462 345 L N 0.246 121.368 121.223 -0.169 0.000 2.046 345 L HA -0.007 4.276 4.340 -0.094 0.000 0.208 345 L C 2.298 178.978 176.870 -0.317 0.000 1.077 345 L CA 1.854 56.536 54.840 -0.264 0.000 0.747 345 L CB -0.799 41.047 42.059 -0.354 0.000 0.896 345 L HN 0.278 nan 8.230 nan 0.000 0.432 346 L N -1.119 119.942 121.223 -0.270 0.000 2.012 346 L HA -0.262 4.021 4.340 -0.094 0.000 0.210 346 L C 2.562 179.244 176.870 -0.314 0.000 1.073 346 L CA 1.448 56.088 54.840 -0.334 0.000 0.748 346 L CB -0.506 41.391 42.059 -0.270 0.000 0.891 346 L HN 0.310 nan 8.230 nan 0.000 0.431 347 L N -0.931 120.162 121.223 -0.218 0.000 2.191 347 L HA -0.207 4.077 4.340 -0.094 0.000 0.212 347 L C 2.749 179.530 176.870 -0.150 0.000 1.103 347 L CA 1.019 55.770 54.840 -0.149 0.000 0.769 347 L CB -0.386 41.623 42.059 -0.082 0.000 0.908 347 L HN 0.243 nan 8.230 nan 0.000 0.438 348 R N -0.240 120.144 120.500 -0.194 0.000 2.073 348 R HA -0.076 4.207 4.340 -0.094 0.000 0.229 348 R C 2.289 178.451 176.300 -0.231 0.000 1.120 348 R CA 0.969 56.959 56.100 -0.183 0.000 0.967 348 R CB -0.110 30.076 30.300 -0.190 0.000 0.862 348 R HN 0.298 nan 8.270 nan 0.000 0.436 349 L N -0.099 120.882 121.223 -0.402 0.000 1.976 349 L HA -0.157 4.126 4.340 -0.094 0.000 0.209 349 L C 2.673 179.366 176.870 -0.295 0.000 1.071 349 L CA 1.397 55.838 54.840 -0.666 0.000 0.746 349 L CB -0.777 40.570 42.059 -1.187 0.000 0.890 349 L HN 0.236 nan 8.230 nan 0.000 0.432 350 A N 0.576 123.312 122.820 -0.140 0.000 1.958 350 A HA -0.315 3.948 4.320 -0.094 0.000 0.221 350 A C 2.579 180.203 177.584 0.067 0.000 1.178 350 A CA 2.880 54.986 52.037 0.115 0.000 0.642 350 A CB -0.789 18.254 19.000 0.071 0.000 0.816 350 A HN 0.429 nan 8.150 nan 0.000 0.453 351 K N -1.547 118.851 120.400 -0.003 0.000 2.167 351 K HA 0.006 4.270 4.320 -0.094 0.000 0.203 351 K C 2.060 178.673 176.600 0.022 0.000 1.052 351 K CA 1.810 58.103 56.287 0.010 0.000 0.956 351 K CB -1.538 30.953 32.500 -0.016 0.000 0.735 351 K HN 0.484 nan 8.250 nan 0.000 0.451 352 T N -0.170 114.404 114.554 0.033 0.000 2.746 352 T HA -0.090 4.204 4.350 -0.094 0.000 0.267 352 T C 1.758 176.543 174.700 0.142 0.000 1.039 352 T CA 1.395 63.554 62.100 0.099 0.000 1.142 352 T CB -0.395 68.580 68.868 0.178 0.000 0.866 352 T HN 0.539 nan 8.240 nan 0.000 0.444 353 Y N 1.984 122.290 120.300 0.010 0.000 2.089 353 Y HA -0.132 4.361 4.550 -0.095 0.000 0.282 353 Y C 2.561 178.344 175.900 -0.195 0.000 1.139 353 Y CA 1.838 59.856 58.100 -0.136 0.000 1.123 353 Y CB -0.581 37.587 38.460 -0.488 0.000 0.980 353 Y HN 0.275 nan 8.280 nan 0.000 0.493 354 E N -0.813 119.285 120.200 -0.171 0.000 2.065 354 E HA -0.275 4.018 4.350 -0.094 0.000 0.201 354 E C 1.986 178.478 176.600 -0.180 0.000 1.016 354 E CA 2.529 58.809 56.400 -0.199 0.000 0.818 354 E CB -0.358 29.353 29.700 0.018 0.000 0.749 354 E HN 0.515 nan 8.360 nan 0.000 0.453 355 T N 0.059 114.567 114.554 -0.077 0.000 2.720 355 T HA -0.164 4.129 4.350 -0.094 0.000 0.268 355 T C 1.860 176.511 174.700 -0.083 0.000 1.037 355 T CA 1.823 63.897 62.100 -0.044 0.000 1.144 355 T CB -0.513 68.349 68.868 -0.010 0.000 0.864 355 T HN 0.295 nan 8.240 nan 0.000 0.444 356 T N 2.401 116.877 114.554 -0.130 0.000 2.701 356 T HA 0.063 4.356 4.350 -0.094 0.000 0.263 356 T C 1.995 176.574 174.700 -0.201 0.000 1.040 356 T CA 0.822 62.844 62.100 -0.130 0.000 1.147 356 T CB -0.489 68.311 68.868 -0.115 0.000 0.865 356 T HN 0.251 nan 8.240 nan 0.000 0.426 357 L N 0.921 121.881 121.223 -0.438 0.000 2.129 357 L HA -0.136 4.147 4.340 -0.094 0.000 0.212 357 L C 2.886 179.603 176.870 -0.256 0.000 1.087 357 L CA 1.173 55.695 54.840 -0.530 0.000 0.757 357 L CB -0.573 40.792 42.059 -1.156 0.000 0.896 357 L HN 0.243 nan 8.230 nan 0.000 0.434 358 E N 0.378 120.496 120.200 -0.137 0.000 2.017 358 E HA -0.198 4.096 4.350 -0.094 0.000 0.193 358 E C 2.345 178.970 176.600 0.043 0.000 0.997 358 E CA 1.856 58.292 56.400 0.061 0.000 0.804 358 E CB -0.116 29.631 29.700 0.078 0.000 0.757 358 E HN 0.459 nan 8.360 nan 0.000 0.448 359 K N 0.098 120.503 120.400 0.009 0.000 2.057 359 K HA -0.024 4.240 4.320 -0.094 0.000 0.206 359 K C 2.448 179.060 176.600 0.020 0.000 1.050 359 K CA 1.222 57.518 56.287 0.015 0.000 0.935 359 K CB -1.412 31.091 32.500 0.006 0.000 0.715 359 K HN 0.253 nan 8.250 nan 0.000 0.439 360 c N 0.731 119.340 118.600 0.015 0.000 2.413 360 c HA -0.030 4.483 4.570 -0.094 0.000 0.276 360 c C 3.023 177.155 174.090 0.069 0.000 1.236 360 c CA 0.869 57.224 56.329 0.043 0.000 1.735 360 c CB -1.454 41.112 42.510 0.093 0.000 2.031 360 c HN 0.778 nan 8.230 nan 0.000 0.474 361 c N 0.772 119.422 118.600 0.083 0.000 2.430 361 c HA 0.056 4.569 4.570 -0.094 0.000 0.288 361 c C 2.406 176.543 174.090 0.077 0.000 1.448 361 c CA 1.027 57.420 56.329 0.106 0.000 1.784 361 c CB -1.739 40.857 42.510 0.144 0.000 1.776 361 c HN 0.708 nan 8.230 nan 0.000 0.547 362 A N -0.371 122.484 122.820 0.058 0.000 2.460 362 A HA 0.666 4.929 4.320 -0.094 0.000 0.258 362 A C 0.898 178.498 177.584 0.027 0.000 1.300 362 A CA 0.504 52.566 52.037 0.041 0.000 0.913 362 A CB -0.230 18.794 19.000 0.039 0.000 1.031 362 A HN 0.458 nan 8.150 nan 0.000 0.512 363 A N -1.124 121.711 122.820 0.024 0.000 2.239 363 A HA 0.708 4.971 4.320 -0.094 0.000 0.303 363 A C 1.505 179.092 177.584 0.004 0.000 1.114 363 A CA 0.166 52.209 52.037 0.009 0.000 0.871 363 A CB 0.154 19.154 19.000 0.000 0.000 1.201 363 A HN 1.007 nan 8.150 nan 0.000 0.506 364 A N -1.064 121.754 122.820 -0.004 0.000 2.015 364 A HA 0.164 4.427 4.320 -0.094 0.000 0.219 364 A C 0.564 178.140 177.584 -0.012 0.000 1.163 364 A CA 2.112 54.145 52.037 -0.007 0.000 0.646 364 A CB -0.252 18.742 19.000 -0.009 0.000 0.806 364 A HN 0.762 nan 8.150 nan 0.000 0.448 365 D N -2.775 117.612 120.400 -0.022 0.000 2.527 365 D HA 0.346 4.929 4.640 -0.094 0.000 0.242 365 D C -2.223 174.037 176.300 -0.067 0.000 1.285 365 D CA -1.362 52.617 54.000 -0.034 0.000 0.886 365 D CB 1.052 41.829 40.800 -0.037 0.000 1.402 365 D HN -0.123 nan 8.370 nan 0.000 0.528 366 P HA -0.280 nan 4.420 nan 0.000 0.214 366 P C 1.351 178.356 177.300 -0.492 0.000 1.172 366 P CA 1.177 64.212 63.100 -0.109 0.000 0.925 366 P CB -0.014 31.719 31.700 0.055 0.000 0.793 367 H N -0.032 118.650 119.070 -0.646 0.000 2.272 367 H HA -0.259 4.241 4.556 -0.094 0.000 0.289 367 H C 2.002 176.914 175.328 -0.694 0.000 1.100 367 H CA 2.639 58.112 56.048 -0.959 0.000 1.209 367 H CB -0.668 28.859 29.762 -0.392 0.000 1.348 367 H HN 0.026 nan 8.280 nan 0.000 0.481 368 E N 0.334 120.450 120.200 -0.140 0.000 2.114 368 E HA -0.172 4.122 4.350 -0.094 0.000 0.199 368 E C 2.772 179.271 176.600 -0.168 0.000 1.008 368 E CA 1.544 57.895 56.400 -0.081 0.000 0.810 368 E CB -1.001 28.672 29.700 -0.045 0.000 0.739 368 E HN 0.463 nan 8.360 nan 0.000 0.456 369 c N 0.237 118.714 118.600 -0.205 0.000 2.436 369 c HA -0.135 4.378 4.570 -0.094 0.000 0.277 369 c C 2.440 176.479 174.090 -0.085 0.000 1.241 369 c CA 1.239 57.493 56.329 -0.124 0.000 1.721 369 c CB -1.416 41.047 42.510 -0.079 0.000 2.043 369 c HN 0.691 nan 8.230 nan 0.000 0.472 370 Y N 0.882 121.119 120.300 -0.105 0.000 2.470 370 Y HA 0.588 5.082 4.550 -0.094 0.000 0.284 370 Y C 1.699 177.505 175.900 -0.156 0.000 1.188 370 Y CA -0.087 57.939 58.100 -0.123 0.000 1.269 370 Y CB -1.504 36.874 38.460 -0.137 0.000 1.094 370 Y HN 0.209 nan 8.280 nan 0.000 0.518 371 A N 1.056 123.799 122.820 -0.128 0.000 2.067 371 A HA -0.013 4.250 4.320 -0.094 0.000 0.219 371 A C 1.729 179.273 177.584 -0.066 0.000 1.158 371 A CA 0.939 52.882 52.037 -0.156 0.000 0.661 371 A CB -0.185 18.680 19.000 -0.226 0.000 0.801 371 A HN 0.253 nan 8.150 nan 0.000 0.452 372 K N -0.335 120.047 120.400 -0.030 0.000 2.514 372 K HA 0.223 4.486 4.320 -0.094 0.000 0.207 372 K C 1.155 177.750 176.600 -0.009 0.000 1.035 372 K CA 0.104 56.378 56.287 -0.023 0.000 1.113 372 K CB 0.101 32.593 32.500 -0.013 0.000 0.846 372 K HN 0.221 nan 8.250 nan 0.000 0.491 373 V N 0.539 120.458 119.914 0.008 0.000 2.324 373 V HA -0.269 3.794 4.120 -0.094 0.000 0.250 373 V C 1.510 177.462 176.094 -0.236 0.000 1.060 373 V CA 1.871 64.147 62.300 -0.040 0.000 1.042 373 V CB -0.424 31.434 31.823 0.059 0.000 0.650 373 V HN 0.182 nan 8.190 nan 0.000 0.450 374 F N 0.685 120.320 119.950 -0.526 0.000 2.373 374 F HA -0.086 4.386 4.527 -0.092 0.000 0.300 374 F C 2.083 177.748 175.800 -0.226 0.000 1.080 374 F CA 1.508 59.163 58.000 -0.576 0.000 1.417 374 F CB -1.156 37.734 39.000 -0.183 0.000 1.070 374 F HN 0.323 nan 8.300 nan 0.000 0.546 375 D N -0.142 120.284 120.400 0.042 0.000 2.219 375 D HA -0.118 4.466 4.640 -0.094 0.000 0.205 375 D C 1.969 178.305 176.300 0.060 0.000 0.970 375 D CA 0.973 55.008 54.000 0.058 0.000 0.851 375 D CB -0.069 40.752 40.800 0.036 0.000 0.943 375 D HN 0.353 nan 8.370 nan 0.000 0.488 376 E N -1.009 119.212 120.200 0.035 0.000 2.318 376 E HA -0.035 4.258 4.350 -0.094 0.000 0.193 376 E C 1.306 178.053 176.600 0.244 0.000 0.998 376 E CA 0.051 56.513 56.400 0.103 0.000 0.859 376 E CB 0.115 29.870 29.700 0.093 0.000 0.812 376 E HN 0.252 nan 8.360 nan 0.000 0.492 377 F N 1.736 121.690 119.950 0.007 0.000 2.234 377 F HA -0.131 4.342 4.527 -0.091 0.000 0.299 377 F C 2.754 178.519 175.800 -0.058 0.000 1.087 377 F CA 1.163 59.123 58.000 -0.068 0.000 1.340 377 F CB -1.286 37.638 39.000 -0.126 0.000 1.031 377 F HN 0.015 nan 8.300 nan 0.000 0.500 378 K N 0.802 121.319 120.400 0.195 0.000 2.015 378 K HA -0.218 4.045 4.320 -0.094 0.000 0.216 378 K C -0.072 176.555 176.600 0.045 0.000 1.052 378 K CA 2.231 58.581 56.287 0.106 0.000 0.937 378 K CB -2.564 29.993 32.500 0.096 0.000 0.719 378 K HN 0.220 nan 8.250 nan 0.000 0.446 379 P HA -0.113 nan 4.420 nan 0.000 0.213 379 P C 1.586 178.868 177.300 -0.029 0.000 1.170 379 P CA 1.031 64.136 63.100 0.009 0.000 0.898 379 P CB -0.107 31.604 31.700 0.018 0.000 0.787 380 L N -1.143 120.058 121.223 -0.037 0.000 2.089 380 L HA -0.188 4.096 4.340 -0.094 0.000 0.213 380 L C 2.301 179.061 176.870 -0.182 0.000 1.079 380 L CA 1.479 56.255 54.840 -0.108 0.000 0.758 380 L CB -1.073 40.902 42.059 -0.140 0.000 0.891 380 L HN -0.096 nan 8.230 nan 0.000 0.433 381 V N -0.248 119.550 119.914 -0.193 0.000 2.591 381 V HA -0.171 3.892 4.120 -0.094 0.000 0.249 381 V C 2.902 178.877 176.094 -0.199 0.000 1.053 381 V CA 1.956 64.076 62.300 -0.300 0.000 1.068 381 V CB -0.651 30.998 31.823 -0.289 0.000 0.689 381 V HN 0.597 nan 8.190 nan 0.000 0.462 382 E N -0.156 119.982 120.200 -0.103 0.000 2.158 382 E HA -0.213 4.080 4.350 -0.094 0.000 0.191 382 E C 2.109 178.671 176.600 -0.063 0.000 0.982 382 E CA 0.993 57.354 56.400 -0.064 0.000 0.823 382 E CB -0.427 29.258 29.700 -0.025 0.000 0.766 382 E HN 0.613 nan 8.360 nan 0.000 0.468 383 E N 0.359 120.518 120.200 -0.069 0.000 2.049 383 E HA -0.145 4.149 4.350 -0.094 0.000 0.198 383 E C -0.333 176.234 176.600 -0.055 0.000 1.007 383 E CA 2.122 58.490 56.400 -0.055 0.000 0.809 383 E CB -0.948 28.717 29.700 -0.059 0.000 0.749 383 E HN 0.408 nan 8.360 nan 0.000 0.450 384 P HA -0.081 nan 4.420 nan 0.000 0.216 384 P C 1.415 178.682 177.300 -0.055 0.000 1.153 384 P CA 1.367 64.423 63.100 -0.074 0.000 0.844 384 P CB -0.124 31.503 31.700 -0.121 0.000 0.787 385 Q N -0.656 119.101 119.800 -0.071 0.000 2.077 385 Q HA -0.205 4.078 4.340 -0.094 0.000 0.206 385 Q C 2.014 178.003 176.000 -0.018 0.000 0.989 385 Q CA 1.457 57.233 55.803 -0.043 0.000 0.853 385 Q CB -0.564 28.148 28.738 -0.044 0.000 0.907 385 Q HN 0.301 nan 8.270 nan 0.000 0.418 386 N N 0.498 119.188 118.700 -0.016 0.000 2.106 386 N HA -0.144 4.539 4.740 -0.094 0.000 0.188 386 N C 1.812 177.328 175.510 0.011 0.000 1.029 386 N CA 0.758 53.809 53.050 0.000 0.000 0.848 386 N CB -0.372 38.115 38.487 0.000 0.000 1.007 386 N HN 0.108 nan 8.380 nan 0.000 0.423 387 L N 1.709 122.938 121.223 0.009 0.000 1.997 387 L HA -0.177 4.106 4.340 -0.094 0.000 0.216 387 L C 2.013 178.906 176.870 0.039 0.000 1.074 387 L CA 1.477 56.334 54.840 0.028 0.000 0.763 387 L CB -0.658 41.415 42.059 0.023 0.000 0.890 387 L HN 0.072 nan 8.230 nan 0.000 0.434 388 I N -0.587 119.996 120.570 0.022 0.000 2.127 388 I HA -0.339 3.774 4.170 -0.094 0.000 0.241 388 I C 2.728 178.856 176.117 0.017 0.000 1.075 388 I CA 1.586 62.898 61.300 0.019 0.000 1.334 388 I CB -1.692 36.310 38.000 0.003 0.000 1.040 388 I HN 0.248 nan 8.210 nan 0.000 0.405 389 K N 0.601 121.009 120.400 0.014 0.000 2.044 389 K HA -0.288 3.975 4.320 -0.094 0.000 0.210 389 K C 2.506 179.122 176.600 0.027 0.000 1.049 389 K CA 2.133 58.429 56.287 0.016 0.000 0.927 389 K CB -1.054 31.455 32.500 0.015 0.000 0.713 389 K HN 0.666 nan 8.250 nan 0.000 0.443 390 Q N 1.114 120.938 119.800 0.039 0.000 1.891 390 Q HA -0.171 4.112 4.340 -0.094 0.000 0.214 390 Q C 2.092 178.142 176.000 0.084 0.000 0.995 390 Q CA 2.110 57.948 55.803 0.059 0.000 0.866 390 Q CB -1.435 27.341 28.738 0.065 0.000 0.931 390 Q HN 0.787 nan 8.270 nan 0.000 0.422 391 N N -0.356 118.415 118.700 0.118 0.000 2.322 391 N HA -0.140 4.543 4.740 -0.094 0.000 0.189 391 N C 1.760 177.279 175.510 0.015 0.000 1.012 391 N CA 1.529 54.691 53.050 0.186 0.000 0.880 391 N CB -0.431 38.214 38.487 0.263 0.000 0.967 391 N HN 0.638 nan 8.380 nan 0.000 0.439 392 c N 0.271 118.862 118.600 -0.015 0.000 2.533 392 c HA 0.095 4.608 4.570 -0.094 0.000 0.272 392 c C 2.506 176.601 174.090 0.009 0.000 1.371 392 c CA -0.218 56.072 56.329 -0.066 0.000 1.758 392 c CB -0.478 41.995 42.510 -0.061 0.000 1.972 392 c HN 0.448 nan 8.230 nan 0.000 0.522 393 E N 0.362 120.579 120.200 0.028 0.000 2.033 393 E HA -0.162 4.132 4.350 -0.094 0.000 0.189 393 E C 1.983 178.610 176.600 0.044 0.000 0.979 393 E CA 0.802 57.225 56.400 0.038 0.000 0.802 393 E CB -0.162 29.562 29.700 0.041 0.000 0.763 393 E HN 0.387 nan 8.360 nan 0.000 0.449 394 L N 0.733 122.000 121.223 0.074 0.000 1.990 394 L HA -0.207 4.077 4.340 -0.094 0.000 0.213 394 L C 2.146 179.033 176.870 0.027 0.000 1.072 394 L CA 1.739 56.648 54.840 0.115 0.000 0.755 394 L CB -0.748 41.479 42.059 0.280 0.000 0.889 394 L HN 0.176 nan 8.230 nan 0.000 0.432 395 F N 0.698 120.418 119.950 -0.383 0.000 2.063 395 F HA -0.306 4.166 4.527 -0.092 0.000 0.298 395 F C 2.379 178.036 175.800 -0.238 0.000 1.109 395 F CA 2.291 59.919 58.000 -0.620 0.000 1.212 395 F CB -0.397 38.044 39.000 -0.931 0.000 0.973 395 F HN 0.248 nan 8.300 nan 0.000 0.480 396 E N -0.567 119.649 120.200 0.027 0.000 2.219 396 E HA -0.307 3.986 4.350 -0.094 0.000 0.198 396 E C 2.302 178.839 176.600 -0.105 0.000 0.998 396 E CA 1.341 57.735 56.400 -0.010 0.000 0.818 396 E CB -0.283 29.453 29.700 0.060 0.000 0.741 396 E HN 0.764 nan 8.360 nan 0.000 0.477 397 Q N 0.384 120.132 119.800 -0.086 0.000 2.226 397 Q HA 0.072 4.355 4.340 -0.094 0.000 0.199 397 Q C 2.028 177.982 176.000 -0.076 0.000 0.945 397 Q CA 0.570 56.339 55.803 -0.056 0.000 0.861 397 Q CB -0.462 28.271 28.738 -0.008 0.000 0.953 397 Q HN 0.251 nan 8.270 nan 0.000 0.490 398 L N -1.007 120.164 121.223 -0.086 0.000 2.270 398 L HA 0.470 4.754 4.340 -0.094 0.000 0.210 398 L C 1.413 178.205 176.870 -0.130 0.000 1.104 398 L CA 0.452 55.257 54.840 -0.058 0.000 0.804 398 L CB -0.281 41.798 42.059 0.033 0.000 0.937 398 L HN 0.650 nan 8.230 nan 0.000 0.450 399 G N 0.585 109.178 108.800 -0.346 0.000 2.707 399 G HA2 -0.239 3.664 3.960 -0.094 0.000 0.686 399 G HA3 -0.239 3.664 3.960 -0.094 0.000 0.686 399 G C 0.222 174.889 174.900 -0.388 0.000 1.315 399 G CA 0.054 44.906 45.100 -0.414 0.000 0.832 399 G HN 0.226 nan 8.290 nan 0.000 0.573 400 E N -0.699 119.338 120.200 -0.271 0.000 2.051 400 E HA -0.207 4.087 4.350 -0.094 0.000 0.192 400 E C 2.017 178.741 176.600 0.208 0.000 0.991 400 E CA 1.996 58.445 56.400 0.081 0.000 0.799 400 E CB -0.179 29.654 29.700 0.221 0.000 0.748 400 E HN 0.684 nan 8.360 nan 0.000 0.449 401 Y N 1.100 121.430 120.300 0.051 0.000 2.070 401 Y HA -0.271 4.221 4.550 -0.096 0.000 0.280 401 Y C 2.481 178.421 175.900 0.067 0.000 1.148 401 Y CA 3.165 61.300 58.100 0.059 0.000 1.125 401 Y CB -0.918 37.561 38.460 0.032 0.000 0.975 401 Y HN 0.060 nan 8.280 nan 0.000 0.492 402 K N 0.057 120.407 120.400 -0.084 0.000 2.063 402 K HA -0.224 4.039 4.320 -0.094 0.000 0.208 402 K C 2.117 178.678 176.600 -0.064 0.000 1.048 402 K CA 1.718 57.907 56.287 -0.162 0.000 0.928 402 K CB -1.928 30.561 32.500 -0.018 0.000 0.713 402 K HN 0.538 nan 8.250 nan 0.000 0.442 403 F N 1.931 121.822 119.950 -0.097 0.000 2.134 403 F HA -0.170 4.298 4.527 -0.099 0.000 0.299 403 F C 2.570 178.365 175.800 -0.008 0.000 1.097 403 F CA 1.997 59.989 58.000 -0.013 0.000 1.264 403 F CB -0.153 38.899 39.000 0.087 0.000 1.001 403 F HN 0.389 nan 8.300 nan 0.000 0.479 404 Q N -0.192 119.595 119.800 -0.021 0.000 2.084 404 Q HA -0.211 4.072 4.340 -0.094 0.000 0.202 404 Q C 1.969 177.848 176.000 -0.201 0.000 0.978 404 Q CA 1.513 57.248 55.803 -0.113 0.000 0.844 404 Q CB -0.332 28.405 28.738 -0.003 0.000 0.898 404 Q HN 0.413 nan 8.270 nan 0.000 0.426 405 N N 0.794 119.344 118.700 -0.251 0.000 2.069 405 N HA -0.161 4.522 4.740 -0.094 0.000 0.191 405 N C 1.703 177.108 175.510 -0.175 0.000 1.031 405 N CA 1.398 54.307 53.050 -0.235 0.000 0.852 405 N CB -0.510 37.785 38.487 -0.319 0.000 1.018 405 N HN 0.243 nan 8.380 nan 0.000 0.423 406 A N 1.719 124.423 122.820 -0.194 0.000 1.859 406 A HA -0.134 4.129 4.320 -0.094 0.000 0.217 406 A C 2.379 179.860 177.584 -0.172 0.000 1.198 406 A CA 1.343 53.279 52.037 -0.169 0.000 0.629 406 A CB -1.034 17.850 19.000 -0.194 0.000 0.830 406 A HN 0.265 nan 8.150 nan 0.000 0.446 407 L N -0.793 120.263 121.223 -0.278 0.000 2.191 407 L HA -0.159 4.124 4.340 -0.094 0.000 0.212 407 L C 2.566 179.413 176.870 -0.038 0.000 1.103 407 L CA 0.675 55.416 54.840 -0.164 0.000 0.769 407 L CB -0.501 41.371 42.059 -0.313 0.000 0.908 407 L HN 0.403 nan 8.230 nan 0.000 0.438 408 L N -0.813 120.355 121.223 -0.092 0.000 2.027 408 L HA -0.193 4.090 4.340 -0.094 0.000 0.206 408 L C 2.527 179.390 176.870 -0.012 0.000 1.074 408 L CA 1.086 55.893 54.840 -0.054 0.000 0.745 408 L CB -0.194 41.819 42.059 -0.075 0.000 0.898 408 L HN 0.059 nan 8.230 nan 0.000 0.433 409 V N -0.325 119.572 119.914 -0.029 0.000 2.220 409 V HA -0.349 3.715 4.120 -0.094 0.000 0.246 409 V C 2.553 178.642 176.094 -0.008 0.000 1.049 409 V CA 2.123 64.413 62.300 -0.017 0.000 1.003 409 V CB -0.732 31.076 31.823 -0.025 0.000 0.634 409 V HN 0.444 nan 8.190 nan 0.000 0.444 410 R N -1.163 119.332 120.500 -0.008 0.000 2.112 410 R HA -0.249 4.034 4.340 -0.094 0.000 0.242 410 R C 2.312 178.568 176.300 -0.073 0.000 1.137 410 R CA 2.418 58.498 56.100 -0.033 0.000 0.944 410 R CB -0.489 29.800 30.300 -0.018 0.000 0.857 410 R HN 0.572 nan 8.270 nan 0.000 0.435 411 Y N -0.290 119.953 120.300 -0.094 0.000 2.263 411 Y HA -0.115 4.382 4.550 -0.088 0.000 0.292 411 Y C 2.521 178.368 175.900 -0.089 0.000 1.130 411 Y CA 1.762 59.805 58.100 -0.094 0.000 1.179 411 Y CB -0.221 38.160 38.460 -0.130 0.000 0.998 411 Y HN 0.127 nan 8.280 nan 0.000 0.532 412 T N -0.234 114.343 114.554 0.038 0.000 2.833 412 T HA -0.166 4.128 4.350 -0.094 0.000 0.269 412 T C 1.754 176.398 174.700 -0.093 0.000 1.054 412 T CA 1.412 63.492 62.100 -0.034 0.000 1.135 412 T CB -0.137 68.713 68.868 -0.031 0.000 0.869 412 T HN 0.294 nan 8.240 nan 0.000 0.466 413 K N 0.830 121.185 120.400 -0.075 0.000 2.155 413 K HA 0.023 4.286 4.320 -0.094 0.000 0.203 413 K C 2.380 178.918 176.600 -0.104 0.000 1.052 413 K CA 0.815 57.054 56.287 -0.080 0.000 0.948 413 K CB 0.015 32.485 32.500 -0.050 0.000 0.728 413 K HN 0.278 nan 8.250 nan 0.000 0.448 414 K N 0.598 120.922 120.400 -0.128 0.000 2.001 414 K HA -0.073 4.190 4.320 -0.094 0.000 0.208 414 K C 0.914 177.458 176.600 -0.093 0.000 1.048 414 K CA 1.396 57.603 56.287 -0.134 0.000 0.932 414 K CB 0.210 32.569 32.500 -0.234 0.000 0.715 414 K HN 0.048 nan 8.250 nan 0.000 0.437 415 V N -1.490 118.374 119.914 -0.083 0.000 2.383 415 V HA 0.231 4.294 4.120 -0.094 0.000 0.261 415 V C -2.653 173.360 176.094 -0.136 0.000 0.987 415 V CA -1.549 60.707 62.300 -0.074 0.000 0.853 415 V CB 1.170 32.994 31.823 0.001 0.000 1.095 415 V HN -0.058 nan 8.190 nan 0.000 0.461 416 P HA -0.072 nan 4.420 nan 0.000 0.222 416 P C 1.354 178.431 177.300 -0.372 0.000 1.147 416 P CA 1.204 63.989 63.100 -0.524 0.000 0.790 416 P CB 0.314 31.231 31.700 -1.304 0.000 0.780 417 Q N -0.743 118.944 119.800 -0.188 0.000 2.083 417 Q HA -0.025 4.259 4.340 -0.094 0.000 0.198 417 Q C 0.699 176.703 176.000 0.007 0.000 0.969 417 Q CA 0.530 56.315 55.803 -0.030 0.000 0.838 417 Q CB -1.429 27.336 28.738 0.044 0.000 0.900 417 Q HN 0.074 nan 8.270 nan 0.000 0.436 418 V N 2.615 122.536 119.914 0.012 0.000 2.752 418 V HA -0.092 3.971 4.120 -0.094 0.000 0.306 418 V C 0.353 176.455 176.094 0.013 0.000 1.099 418 V CA 0.147 62.474 62.300 0.044 0.000 1.240 418 V CB 0.092 31.932 31.823 0.028 0.000 0.887 418 V HN 0.368 nan 8.190 nan 0.000 0.499 419 S N 3.231 118.946 115.700 0.024 0.000 2.525 419 S HA 0.005 4.418 4.470 -0.094 0.000 0.285 419 S C 1.392 175.984 174.600 -0.013 0.000 1.283 419 S CA -0.014 58.188 58.200 0.004 0.000 1.072 419 S CB 0.635 63.837 63.200 0.003 0.000 0.867 419 S HN 0.842 nan 8.310 nan 0.000 0.492 420 T N 4.494 119.034 114.554 -0.023 0.000 2.653 420 T HA -0.142 4.151 4.350 -0.094 0.000 0.267 420 T C -0.835 173.842 174.700 -0.038 0.000 1.037 420 T CA 2.045 64.123 62.100 -0.037 0.000 1.159 420 T CB -1.766 67.069 68.868 -0.054 0.000 0.859 420 T HN 0.550 nan 8.240 nan 0.000 0.449 421 P HA -0.076 nan 4.420 nan 0.000 0.213 421 P C 1.796 179.075 177.300 -0.035 0.000 1.170 421 P CA 1.397 64.478 63.100 -0.032 0.000 0.898 421 P CB -0.376 31.307 31.700 -0.027 0.000 0.787 422 T N 0.015 114.550 114.554 -0.031 0.000 2.684 422 T HA -0.147 4.146 4.350 -0.094 0.000 0.267 422 T C 1.814 176.478 174.700 -0.060 0.000 1.036 422 T CA 1.184 63.260 62.100 -0.039 0.000 1.148 422 T CB -1.085 67.773 68.868 -0.018 0.000 0.863 422 T HN 0.045 nan 8.240 nan 0.000 0.436 423 L N 0.620 121.812 121.223 -0.051 0.000 2.079 423 L HA -0.104 4.179 4.340 -0.094 0.000 0.210 423 L C 2.645 179.468 176.870 -0.079 0.000 1.081 423 L CA 0.876 55.677 54.840 -0.065 0.000 0.752 423 L CB -0.633 41.402 42.059 -0.041 0.000 0.896 423 L HN 0.177 nan 8.230 nan 0.000 0.433 424 V N -0.303 119.576 119.914 -0.058 0.000 2.283 424 V HA -0.254 3.810 4.120 -0.094 0.000 0.243 424 V C 2.461 178.523 176.094 -0.053 0.000 1.039 424 V CA 1.896 64.166 62.300 -0.049 0.000 1.016 424 V CB -0.402 31.404 31.823 -0.030 0.000 0.650 424 V HN 0.426 nan 8.190 nan 0.000 0.449 425 E N 0.675 120.845 120.200 -0.051 0.000 2.049 425 E HA -0.219 4.074 4.350 -0.094 0.000 0.198 425 E C 2.021 178.574 176.600 -0.079 0.000 1.007 425 E CA 2.226 58.597 56.400 -0.048 0.000 0.809 425 E CB -0.592 29.081 29.700 -0.046 0.000 0.749 425 E HN 0.292 nan 8.360 nan 0.000 0.450 426 V N 0.273 120.114 119.914 -0.123 0.000 2.332 426 V HA -0.255 3.808 4.120 -0.094 0.000 0.248 426 V C 2.450 178.395 176.094 -0.249 0.000 1.055 426 V CA 2.049 64.230 62.300 -0.197 0.000 1.038 426 V CB -0.642 31.031 31.823 -0.249 0.000 0.651 426 V HN 0.269 nan 8.190 nan 0.000 0.450 427 S N -0.782 114.779 115.700 -0.232 0.000 2.402 427 S HA -0.117 4.297 4.470 -0.094 0.000 0.229 427 S C 2.058 176.575 174.600 -0.138 0.000 1.021 427 S CA 1.080 59.129 58.200 -0.251 0.000 0.974 427 S CB -0.226 62.857 63.200 -0.195 0.000 0.800 427 S HN 0.546 nan 8.310 nan 0.000 0.484 428 R N 1.685 122.143 120.500 -0.070 0.000 2.070 428 R HA -0.040 4.244 4.340 -0.094 0.000 0.233 428 R C 1.956 178.278 176.300 0.037 0.000 1.137 428 R CA 1.511 57.614 56.100 0.006 0.000 0.945 428 R CB -0.599 29.717 30.300 0.027 0.000 0.845 428 R HN 0.353 nan 8.270 nan 0.000 0.430 429 N N 1.225 119.931 118.700 0.010 0.000 2.069 429 N HA -0.156 4.527 4.740 -0.094 0.000 0.191 429 N C 2.002 177.566 175.510 0.089 0.000 1.031 429 N CA 1.190 54.280 53.050 0.066 0.000 0.852 429 N CB -0.482 38.001 38.487 -0.007 0.000 1.018 429 N HN 0.177 nan 8.380 nan 0.000 0.423 430 L N 0.300 121.481 121.223 -0.069 0.000 2.081 430 L HA -0.144 4.140 4.340 -0.094 0.000 0.212 430 L C 2.297 179.242 176.870 0.124 0.000 1.080 430 L CA 1.484 56.278 54.840 -0.077 0.000 0.754 430 L CB -0.773 41.120 42.059 -0.277 0.000 0.893 430 L HN 0.272 nan 8.230 nan 0.000 0.433 431 G N -0.802 108.083 108.800 0.141 0.000 2.464 431 G HA2 -0.162 3.741 3.960 -0.094 0.000 0.217 431 G HA3 -0.162 3.741 3.960 -0.094 0.000 0.217 431 G C 1.590 176.705 174.900 0.358 0.000 1.138 431 G CA 0.023 45.335 45.100 0.352 0.000 0.793 431 G HN 0.279 nan 8.290 nan 0.000 0.539 432 K N 0.132 120.682 120.400 0.250 0.000 2.442 432 K HA 0.036 4.299 4.320 -0.094 0.000 0.198 432 K C 2.258 178.874 176.600 0.026 0.000 1.044 432 K CA 0.326 56.705 56.287 0.154 0.000 0.948 432 K CB -0.022 32.554 32.500 0.126 0.000 0.762 432 K HN 0.219 nan 8.250 nan 0.000 0.472 433 V N 0.684 120.696 119.914 0.163 0.000 2.626 433 V HA -0.138 3.925 4.120 -0.094 0.000 0.252 433 V C 1.952 177.919 176.094 -0.212 0.000 1.067 433 V CA 2.093 64.420 62.300 0.046 0.000 1.081 433 V CB -0.415 31.600 31.823 0.319 0.000 0.686 433 V HN 0.449 nan 8.190 nan 0.000 0.468 434 G N -0.120 108.469 108.800 -0.351 0.000 2.453 434 G HA2 -0.268 3.635 3.960 -0.094 0.000 0.215 434 G HA3 -0.268 3.635 3.960 -0.094 0.000 0.215 434 G C 1.777 175.824 174.900 -1.421 0.000 1.201 434 G CA 1.264 45.604 45.100 -1.267 0.000 0.784 434 G HN 0.631 nan 8.290 nan 0.000 0.545 435 S N 0.421 115.634 115.700 -0.811 0.000 2.368 435 S HA -0.113 4.301 4.470 -0.094 0.000 0.224 435 S C 2.141 176.568 174.600 -0.289 0.000 1.029 435 S CA 1.611 59.622 58.200 -0.315 0.000 0.988 435 S CB -0.382 62.845 63.200 0.045 0.000 0.838 435 S HN 0.371 nan 8.310 nan 0.000 0.462 436 K N 0.744 120.975 120.400 -0.280 0.000 2.032 436 K HA -0.095 4.168 4.320 -0.094 0.000 0.209 436 K C 2.095 178.549 176.600 -0.244 0.000 1.048 436 K CA 1.762 57.891 56.287 -0.265 0.000 0.927 436 K CB -1.148 31.127 32.500 -0.375 0.000 0.712 436 K HN 0.722 nan 8.250 nan 0.000 0.441 437 c N -1.735 116.721 118.600 -0.241 0.000 2.563 437 c HA 0.321 4.835 4.570 -0.094 0.000 0.346 437 c C 2.770 176.771 174.090 -0.149 0.000 1.334 437 c CA -0.131 56.137 56.329 -0.103 0.000 1.938 437 c CB -0.787 41.704 42.510 -0.031 0.000 2.445 437 c HN 0.744 nan 8.230 nan 0.000 0.541 438 c N 1.823 120.254 118.600 -0.282 0.000 2.403 438 c HA -0.127 4.387 4.570 -0.094 0.000 0.279 438 c C 2.901 176.899 174.090 -0.153 0.000 1.269 438 c CA 2.130 58.318 56.329 -0.235 0.000 1.774 438 c CB -1.371 40.907 42.510 -0.388 0.000 1.993 438 c HN 0.734 nan 8.230 nan 0.000 0.496 439 K N -0.377 119.895 120.400 -0.214 0.000 2.551 439 K HA 0.019 4.282 4.320 -0.094 0.000 0.192 439 K C 0.433 176.931 176.600 -0.169 0.000 1.027 439 K CA 0.689 56.872 56.287 -0.173 0.000 1.059 439 K CB -0.640 31.744 32.500 -0.193 0.000 0.831 439 K HN 0.693 nan 8.250 nan 0.000 0.508 440 H N 0.524 119.558 119.070 -0.060 0.000 2.483 440 H HA 0.344 4.841 4.556 -0.098 0.000 0.338 440 H C -2.407 172.901 175.328 -0.033 0.000 1.152 440 H CA -2.387 53.634 56.048 -0.045 0.000 1.264 440 H CB 1.673 31.404 29.762 -0.051 0.000 1.510 440 H HN 0.122 nan 8.280 nan 0.000 0.530 441 P HA 0.051 nan 4.420 nan 0.000 0.275 441 P C 0.350 177.673 177.300 0.038 0.000 1.228 441 P CA -0.218 62.916 63.100 0.057 0.000 0.786 441 P CB 1.236 32.959 31.700 0.037 0.000 0.927 442 E N 2.311 122.527 120.200 0.026 0.000 2.208 442 E HA -0.257 4.036 4.350 -0.094 0.000 0.202 442 E C 2.093 178.700 176.600 0.013 0.000 1.014 442 E CA 2.518 58.930 56.400 0.021 0.000 0.819 442 E CB -0.807 28.906 29.700 0.022 0.000 0.735 442 E HN 0.586 nan 8.360 nan 0.000 0.469 443 A N 0.311 123.134 122.820 0.004 0.000 2.024 443 A HA -0.240 4.023 4.320 -0.094 0.000 0.220 443 A C 1.669 179.229 177.584 -0.040 0.000 1.164 443 A CA 1.757 53.788 52.037 -0.009 0.000 0.643 443 A CB -0.109 18.878 19.000 -0.022 0.000 0.806 443 A HN 0.135 nan 8.150 nan 0.000 0.451 444 K N -1.952 118.401 120.400 -0.079 0.000 2.402 444 K HA 0.208 4.472 4.320 -0.094 0.000 0.204 444 K C 1.814 178.325 176.600 -0.148 0.000 1.056 444 K CA -0.274 55.911 56.287 -0.170 0.000 1.069 444 K CB 0.440 32.726 32.500 -0.357 0.000 0.888 444 K HN 0.288 nan 8.250 nan 0.000 0.546 445 R N 1.192 121.665 120.500 -0.046 0.000 2.075 445 R HA -0.017 4.266 4.340 -0.094 0.000 0.230 445 R C 2.309 178.606 176.300 -0.005 0.000 1.140 445 R CA 1.616 57.719 56.100 0.005 0.000 0.928 445 R CB -0.186 30.128 30.300 0.022 0.000 0.834 445 R HN 0.144 nan 8.270 nan 0.000 0.429 446 M N 0.905 120.500 119.600 -0.009 0.000 2.088 446 M HA -0.142 4.281 4.480 -0.094 0.000 0.256 446 M C -0.878 175.412 176.300 -0.015 0.000 1.071 446 M CA 2.062 57.352 55.300 -0.017 0.000 1.097 446 M CB -1.098 31.481 32.600 -0.035 0.000 1.315 446 M HN -0.003 nan 8.290 nan 0.000 0.406 447 P HA -0.159 nan 4.420 nan 0.000 0.215 447 P C 1.805 179.103 177.300 -0.003 0.000 1.153 447 P CA 1.603 64.689 63.100 -0.023 0.000 0.853 447 P CB -0.585 31.086 31.700 -0.048 0.000 0.788 448 c N 0.129 118.722 118.600 -0.013 0.000 2.455 448 c HA -0.030 4.483 4.570 -0.094 0.000 0.281 448 c C 3.043 177.179 174.090 0.077 0.000 1.237 448 c CA 2.016 58.358 56.329 0.021 0.000 1.726 448 c CB -1.578 40.951 42.510 0.032 0.000 2.068 448 c HN 0.271 nan 8.230 nan 0.000 0.466 449 A N -0.279 122.580 122.820 0.065 0.000 1.845 449 A HA -0.212 4.051 4.320 -0.094 0.000 0.215 449 A C 2.152 179.799 177.584 0.105 0.000 1.195 449 A CA 1.984 54.080 52.037 0.097 0.000 0.616 449 A CB -1.140 17.890 19.000 0.050 0.000 0.832 449 A HN 0.800 nan 8.150 nan 0.000 0.443 450 E N -0.710 119.519 120.200 0.048 0.000 2.204 450 E HA -0.184 4.110 4.350 -0.094 0.000 0.194 450 E C 1.025 177.645 176.600 0.034 0.000 0.989 450 E CA 1.104 57.519 56.400 0.024 0.000 0.824 450 E CB -0.026 29.666 29.700 -0.013 0.000 0.756 450 E HN 0.528 nan 8.360 nan 0.000 0.477 451 D N -0.583 119.858 120.400 0.068 0.000 2.213 451 D HA -0.127 4.456 4.640 -0.094 0.000 0.205 451 D C 1.467 177.824 176.300 0.096 0.000 0.961 451 D CA 0.491 54.547 54.000 0.093 0.000 0.853 451 D CB -0.163 40.715 40.800 0.130 0.000 0.967 451 D HN 0.273 nan 8.370 nan 0.000 0.496 452 Y N 1.765 122.067 120.300 0.003 0.000 2.224 452 Y HA -0.119 4.365 4.550 -0.111 0.000 0.289 452 Y C 1.993 177.876 175.900 -0.028 0.000 1.146 452 Y CA 1.135 59.229 58.100 -0.010 0.000 1.182 452 Y CB -0.480 37.974 38.460 -0.009 0.000 0.983 452 Y HN -0.103 nan 8.280 nan 0.000 0.524 453 L N -0.845 120.248 121.223 -0.217 0.000 2.275 453 L HA -0.162 4.121 4.340 -0.094 0.000 0.215 453 L C 2.305 179.037 176.870 -0.231 0.000 1.119 453 L CA 1.228 55.895 54.840 -0.288 0.000 0.790 453 L CB -0.516 41.474 42.059 -0.116 0.000 0.919 453 L HN 0.099 nan 8.230 nan 0.000 0.443 454 S N -0.845 114.764 115.700 -0.151 0.000 2.436 454 S HA -0.068 4.345 4.470 -0.094 0.000 0.228 454 S C 2.003 176.500 174.600 -0.171 0.000 1.014 454 S CA 0.611 58.735 58.200 -0.126 0.000 0.950 454 S CB 0.078 63.228 63.200 -0.083 0.000 0.784 454 S HN 0.156 nan 8.310 nan 0.000 0.504 455 V N 1.407 121.198 119.914 -0.205 0.000 2.283 455 V HA -0.093 3.970 4.120 -0.094 0.000 0.243 455 V C 2.329 178.279 176.094 -0.240 0.000 1.039 455 V CA 1.269 63.448 62.300 -0.203 0.000 1.016 455 V CB -0.725 31.008 31.823 -0.149 0.000 0.650 455 V HN 0.326 nan 8.190 nan 0.000 0.449 456 V N 0.028 119.721 119.914 -0.368 0.000 2.261 456 V HA -0.268 3.796 4.120 -0.094 0.000 0.246 456 V C 2.356 178.280 176.094 -0.284 0.000 1.047 456 V CA 2.003 64.089 62.300 -0.357 0.000 1.015 456 V CB -0.652 30.869 31.823 -0.504 0.000 0.642 456 V HN 0.436 nan 8.190 nan 0.000 0.446 457 L N 0.568 121.622 121.223 -0.281 0.000 2.187 457 L HA -0.200 4.083 4.340 -0.094 0.000 0.213 457 L C 2.342 179.121 176.870 -0.153 0.000 1.100 457 L CA 1.783 56.470 54.840 -0.256 0.000 0.765 457 L CB -0.713 41.236 42.059 -0.184 0.000 0.904 457 L HN 0.467 nan 8.230 nan 0.000 0.437 458 N N -0.262 118.357 118.700 -0.134 0.000 2.396 458 N HA -0.155 4.528 4.740 -0.094 0.000 0.180 458 N C 1.802 177.254 175.510 -0.097 0.000 1.028 458 N CA 0.878 53.873 53.050 -0.091 0.000 0.893 458 N CB 0.177 38.596 38.487 -0.113 0.000 0.967 458 N HN 0.344 nan 8.380 nan 0.000 0.440 459 Q N -0.327 119.398 119.800 -0.123 0.000 1.990 459 Q HA -0.097 4.186 4.340 -0.094 0.000 0.200 459 Q C 1.883 177.834 176.000 -0.081 0.000 0.980 459 Q CA 1.322 57.061 55.803 -0.106 0.000 0.832 459 Q CB -0.308 28.361 28.738 -0.116 0.000 0.897 459 Q HN 0.342 nan 8.270 nan 0.000 0.427 460 L N 0.763 121.919 121.223 -0.111 0.000 2.021 460 L HA -0.246 4.038 4.340 -0.094 0.000 0.215 460 L C 2.165 179.035 176.870 -0.001 0.000 1.074 460 L CA 1.883 56.671 54.840 -0.087 0.000 0.760 460 L CB -0.917 41.025 42.059 -0.195 0.000 0.889 460 L HN 0.320 nan 8.230 nan 0.000 0.433 461 c N -1.254 117.349 118.600 0.005 0.000 2.413 461 c HA -0.147 4.366 4.570 -0.094 0.000 0.276 461 c C 2.834 176.963 174.090 0.064 0.000 1.248 461 c CA 1.167 57.540 56.329 0.073 0.000 1.742 461 c CB -1.111 41.448 42.510 0.082 0.000 2.017 461 c HN 0.673 nan 8.230 nan 0.000 0.481 462 V N -0.680 119.233 119.914 -0.001 0.000 2.346 462 V HA -0.098 3.965 4.120 -0.094 0.000 0.244 462 V C 2.184 178.273 176.094 -0.008 0.000 1.037 462 V CA 1.663 63.945 62.300 -0.030 0.000 1.029 462 V CB -1.138 30.628 31.823 -0.096 0.000 0.663 462 V HN 0.536 nan 8.190 nan 0.000 0.454 463 L N 0.142 121.362 121.223 -0.004 0.000 2.013 463 L HA -0.237 4.046 4.340 -0.094 0.000 0.212 463 L C 2.823 179.714 176.870 0.034 0.000 1.073 463 L CA 2.640 57.482 54.840 0.002 0.000 0.753 463 L CB -0.975 41.080 42.059 -0.006 0.000 0.890 463 L HN 0.505 nan 8.230 nan 0.000 0.432 464 H N 0.286 119.341 119.070 -0.024 0.000 2.290 464 H HA -0.256 4.241 4.556 -0.098 0.000 0.298 464 H C 2.182 177.503 175.328 -0.012 0.000 1.087 464 H CA 2.106 58.149 56.048 -0.009 0.000 1.291 464 H CB -0.049 29.722 29.762 0.015 0.000 1.369 464 H HN 0.278 nan 8.280 nan 0.000 0.492 465 E N 0.054 120.258 120.200 0.006 0.000 2.339 465 E HA -0.290 4.003 4.350 -0.094 0.000 0.201 465 E C 2.221 178.754 176.600 -0.113 0.000 1.015 465 E CA 1.558 57.920 56.400 -0.063 0.000 0.841 465 E CB -0.072 29.618 29.700 -0.016 0.000 0.754 465 E HN 0.651 nan 8.360 nan 0.000 0.508 466 K N 0.165 120.503 120.400 -0.104 0.000 1.984 466 K HA -0.062 4.202 4.320 -0.094 0.000 0.209 466 K C 1.478 178.008 176.600 -0.116 0.000 1.046 466 K CA 1.648 57.883 56.287 -0.087 0.000 0.934 466 K CB -0.890 31.576 32.500 -0.057 0.000 0.717 466 K HN 0.288 nan 8.250 nan 0.000 0.438 467 T N 0.437 114.893 114.554 -0.163 0.000 3.241 467 T HA 0.380 4.673 4.350 -0.094 0.000 0.387 467 T C -3.085 171.425 174.700 -0.316 0.000 1.451 467 T CA -1.840 60.160 62.100 -0.168 0.000 1.363 467 T CB 1.309 70.117 68.868 -0.100 0.000 1.074 467 T HN 0.205 nan 8.240 nan 0.000 0.598 468 P HA 0.156 nan 4.420 nan 0.000 0.266 468 P C 0.888 178.064 177.300 -0.205 0.000 1.215 468 P CA -0.285 62.473 63.100 -0.570 0.000 0.763 468 P CB 1.356 32.898 31.700 -0.263 0.000 0.806 469 V N 0.321 120.223 119.914 -0.021 0.000 3.497 469 V HA 0.263 4.326 4.120 -0.094 0.000 0.272 469 V C 0.657 176.853 176.094 0.171 0.000 1.474 469 V CA 0.335 62.694 62.300 0.099 0.000 1.025 469 V CB 0.280 32.154 31.823 0.085 0.000 0.820 469 V HN 0.508 nan 8.190 nan 0.000 0.437 470 S N 1.269 117.155 115.700 0.311 0.000 2.733 470 S HA 0.366 4.780 4.470 -0.094 0.000 0.307 470 S C 0.375 175.037 174.600 0.103 0.000 1.127 470 S CA -0.193 58.090 58.200 0.140 0.000 1.097 470 S CB 1.108 64.337 63.200 0.050 0.000 1.003 470 S HN 0.453 nan 8.310 nan 0.000 0.477 471 D N 3.799 124.241 120.400 0.069 0.000 2.190 471 D HA -0.157 4.426 4.640 -0.094 0.000 0.200 471 D C 1.872 178.164 176.300 -0.013 0.000 0.992 471 D CA 1.282 55.306 54.000 0.039 0.000 0.854 471 D CB 0.019 40.830 40.800 0.018 0.000 0.936 471 D HN 0.564 nan 8.370 nan 0.000 0.462 472 R N 0.415 120.892 120.500 -0.038 0.000 2.081 472 R HA -0.060 4.224 4.340 -0.094 0.000 0.235 472 R C 2.231 178.436 176.300 -0.158 0.000 1.131 472 R CA 0.845 56.888 56.100 -0.095 0.000 0.960 472 R CB -0.536 29.716 30.300 -0.080 0.000 0.856 472 R HN 0.154 nan 8.270 nan 0.000 0.436 473 V N 0.642 120.469 119.914 -0.145 0.000 2.358 473 V HA -0.215 3.848 4.120 -0.094 0.000 0.246 473 V C 2.158 178.165 176.094 -0.144 0.000 1.047 473 V CA 2.125 64.314 62.300 -0.185 0.000 1.035 473 V CB -0.524 30.976 31.823 -0.539 0.000 0.658 473 V HN 0.396 nan 8.190 nan 0.000 0.452 474 T N -0.334 114.187 114.554 -0.055 0.000 2.684 474 T HA -0.265 4.028 4.350 -0.094 0.000 0.267 474 T C 1.928 176.616 174.700 -0.019 0.000 1.036 474 T CA 1.954 64.079 62.100 0.042 0.000 1.148 474 T CB -0.198 68.724 68.868 0.090 0.000 0.863 474 T HN 0.417 nan 8.240 nan 0.000 0.436 475 K N 0.229 120.592 120.400 -0.061 0.000 1.969 475 K HA -0.152 4.111 4.320 -0.094 0.000 0.216 475 K C 2.603 179.128 176.600 -0.124 0.000 1.048 475 K CA 1.801 58.041 56.287 -0.080 0.000 0.948 475 K CB -0.653 31.788 32.500 -0.097 0.000 0.726 475 K HN 0.304 nan 8.250 nan 0.000 0.442 476 c N 0.745 119.190 118.600 -0.258 0.000 2.385 476 c HA -0.236 4.278 4.570 -0.094 0.000 0.275 476 c C 3.054 177.031 174.090 -0.188 0.000 1.199 476 c CA 0.963 57.056 56.329 -0.393 0.000 1.782 476 c CB -1.062 40.830 42.510 -1.030 0.000 2.068 476 c HN 0.675 nan 8.230 nan 0.000 0.471 477 c N 0.214 118.773 118.600 -0.069 0.000 2.462 477 c HA -0.083 4.430 4.570 -0.094 0.000 0.278 477 c C 2.981 177.161 174.090 0.150 0.000 1.253 477 c CA 1.901 58.285 56.329 0.091 0.000 1.713 477 c CB -1.607 40.976 42.510 0.121 0.000 2.049 477 c HN 0.819 nan 8.230 nan 0.000 0.477 478 T N -1.178 113.431 114.554 0.091 0.000 2.985 478 T HA -0.094 4.199 4.350 -0.094 0.000 0.266 478 T C 1.488 176.282 174.700 0.157 0.000 1.076 478 T CA 1.236 63.396 62.100 0.100 0.000 1.135 478 T CB -0.415 68.462 68.868 0.014 0.000 0.890 478 T HN 0.612 nan 8.240 nan 0.000 0.480 479 E N 1.359 121.612 120.200 0.087 0.000 2.033 479 E HA -0.070 4.223 4.350 -0.094 0.000 0.199 479 E C 0.775 177.438 176.600 0.106 0.000 1.011 479 E CA 1.317 57.756 56.400 0.066 0.000 0.815 479 E CB -0.006 29.690 29.700 -0.006 0.000 0.755 479 E HN 0.538 nan 8.360 nan 0.000 0.451 480 S N -1.189 114.549 115.700 0.062 0.000 2.603 480 S HA 0.145 4.558 4.470 -0.094 0.000 0.274 480 S C 0.124 174.601 174.600 -0.205 0.000 1.168 480 S CA -0.774 57.402 58.200 -0.039 0.000 0.963 480 S CB 1.504 64.669 63.200 -0.057 0.000 1.078 480 S HN 0.147 nan 8.310 nan 0.000 0.477 481 L N 5.746 126.600 121.223 -0.614 0.000 1.994 481 L HA 0.052 4.336 4.340 -0.094 0.000 0.208 481 L C 2.225 178.891 176.870 -0.339 0.000 1.071 481 L CA 2.288 56.673 54.840 -0.758 0.000 0.745 481 L CB -0.783 40.481 42.059 -1.325 0.000 0.892 481 L HN 0.729 nan 8.230 nan 0.000 0.431 482 V N -0.227 119.527 119.914 -0.267 0.000 2.568 482 V HA -0.295 3.769 4.120 -0.094 0.000 0.253 482 V C 1.847 177.876 176.094 -0.108 0.000 1.072 482 V CA 2.216 64.427 62.300 -0.147 0.000 1.084 482 V CB -1.110 30.642 31.823 -0.118 0.000 0.676 482 V HN 0.567 nan 8.190 nan 0.000 0.469 483 N N -0.883 117.753 118.700 -0.106 0.000 2.280 483 N HA 0.081 4.764 4.740 -0.094 0.000 0.192 483 N C 1.777 177.258 175.510 -0.049 0.000 1.109 483 N CA -0.238 52.767 53.050 -0.074 0.000 0.855 483 N CB 0.083 38.526 38.487 -0.073 0.000 0.974 483 N HN 0.415 nan 8.380 nan 0.000 0.482 484 R N 1.196 121.676 120.500 -0.033 0.000 2.136 484 R HA -0.196 4.088 4.340 -0.094 0.000 0.242 484 R C 2.162 178.551 176.300 0.149 0.000 1.131 484 R CA 1.430 57.558 56.100 0.047 0.000 0.937 484 R CB -0.290 30.075 30.300 0.109 0.000 0.863 484 R HN 0.176 nan 8.270 nan 0.000 0.435 485 R N 0.441 121.012 120.500 0.118 0.000 2.115 485 R HA -0.130 4.153 4.340 -0.094 0.000 0.239 485 R C -0.742 175.621 176.300 0.104 0.000 1.133 485 R CA 2.028 58.206 56.100 0.130 0.000 0.935 485 R CB -1.526 28.801 30.300 0.044 0.000 0.853 485 R HN 0.171 nan 8.270 nan 0.000 0.433 486 P HA -0.145 nan 4.420 nan 0.000 0.215 486 P C 1.698 178.989 177.300 -0.016 0.000 1.157 486 P CA 1.254 64.353 63.100 -0.002 0.000 0.874 486 P CB -0.318 31.362 31.700 -0.034 0.000 0.790 487 c N -2.020 116.547 118.600 -0.056 0.000 2.401 487 c HA -0.183 4.330 4.570 -0.094 0.000 0.276 487 c C 2.404 176.368 174.090 -0.210 0.000 1.233 487 c CA 0.919 57.151 56.329 -0.161 0.000 1.753 487 c CB -2.173 40.182 42.510 -0.259 0.000 2.029 487 c HN 0.072 nan 8.230 nan 0.000 0.478 488 F N 1.028 120.948 119.950 -0.050 0.000 2.234 488 F HA -0.005 4.468 4.527 -0.091 0.000 0.296 488 F C 2.727 178.459 175.800 -0.113 0.000 1.089 488 F CA 1.677 59.633 58.000 -0.073 0.000 1.343 488 F CB -0.651 38.349 39.000 0.001 0.000 1.040 488 F HN 0.102 nan 8.300 nan 0.000 0.498 489 S N -0.022 115.740 115.700 0.105 0.000 2.399 489 S HA -0.173 4.240 4.470 -0.094 0.000 0.231 489 S C 2.366 176.952 174.600 -0.024 0.000 1.022 489 S CA 0.954 59.170 58.200 0.026 0.000 0.983 489 S CB -0.622 62.597 63.200 0.033 0.000 0.803 489 S HN 0.360 nan 8.310 nan 0.000 0.480 490 A N 1.483 124.282 122.820 -0.036 0.000 1.902 490 A HA 0.063 4.326 4.320 -0.094 0.000 0.217 490 A C 0.948 178.491 177.584 -0.068 0.000 1.181 490 A CA 0.773 52.777 52.037 -0.055 0.000 0.623 490 A CB -0.682 18.276 19.000 -0.069 0.000 0.818 490 A HN 0.442 nan 8.150 nan 0.000 0.443 491 L N -0.050 121.122 121.223 -0.086 0.000 2.490 491 L HA 0.084 4.367 4.340 -0.094 0.000 0.274 491 L C 1.312 178.124 176.870 -0.098 0.000 1.201 491 L CA -0.234 54.549 54.840 -0.094 0.000 0.869 491 L CB 0.480 42.479 42.059 -0.100 0.000 1.123 491 L HN 0.436 nan 8.230 nan 0.000 0.484 492 E N 2.888 123.040 120.200 -0.081 0.000 2.343 492 E HA 0.211 4.504 4.350 -0.094 0.000 0.223 492 E C -0.643 175.912 176.600 -0.075 0.000 0.977 492 E CA 0.233 56.588 56.400 -0.074 0.000 1.027 492 E CB 0.610 30.281 29.700 -0.049 0.000 1.769 492 E HN 0.317 nan 8.360 nan 0.000 0.531 493 V N 0.090 119.974 119.914 -0.050 0.000 2.888 493 V HA 0.487 4.550 4.120 -0.094 0.000 0.309 493 V C -1.149 174.935 176.094 -0.017 0.000 1.114 493 V CA -0.970 61.307 62.300 -0.037 0.000 0.940 493 V CB 1.853 33.667 31.823 -0.015 0.000 1.021 493 V HN 0.277 nan 8.190 nan 0.000 0.426 494 D N 3.341 123.736 120.400 -0.009 0.000 2.346 494 D HA 0.175 4.758 4.640 -0.094 0.000 0.260 494 D C 0.954 177.293 176.300 0.065 0.000 1.252 494 D CA 0.360 54.374 54.000 0.023 0.000 0.895 494 D CB 1.454 42.271 40.800 0.029 0.000 1.097 494 D HN 0.807 nan 8.370 nan 0.000 0.489 495 E N 1.120 121.344 120.200 0.039 0.000 2.481 495 E HA -0.070 4.223 4.350 -0.094 0.000 0.195 495 E C 1.550 178.175 176.600 0.041 0.000 1.047 495 E CA 0.523 56.944 56.400 0.036 0.000 0.867 495 E CB 0.298 30.006 29.700 0.013 0.000 0.858 495 E HN 0.516 nan 8.360 nan 0.000 0.513 496 T N -2.100 112.488 114.554 0.058 0.000 3.044 496 T HA -0.049 4.245 4.350 -0.094 0.000 0.250 496 T C 0.497 175.244 174.700 0.078 0.000 1.081 496 T CA -0.473 61.656 62.100 0.048 0.000 1.040 496 T CB -0.289 68.602 68.868 0.038 0.000 0.962 496 T HN 0.093 nan 8.240 nan 0.000 0.506 497 Y N 3.122 123.415 120.300 -0.012 0.000 2.632 497 Y HA 0.366 4.861 4.550 -0.092 0.000 0.329 497 Y C 0.055 175.944 175.900 -0.017 0.000 1.174 497 Y CA -1.426 56.668 58.100 -0.011 0.000 1.469 497 Y CB 0.479 38.934 38.460 -0.008 0.000 1.242 497 Y HN 0.084 nan 8.280 nan 0.000 0.540 498 V N 10.190 129.777 119.914 -0.545 0.000 2.334 498 V HA 0.420 4.483 4.120 -0.094 0.000 0.267 498 V C -2.315 173.207 176.094 -0.952 0.000 1.040 498 V CA -2.357 59.616 62.300 -0.545 0.000 0.866 498 V CB 0.077 31.740 31.823 -0.266 0.000 1.019 498 V HN 0.803 nan 8.190 nan 0.000 0.468 499 P HA 0.005 nan 4.420 nan 0.000 0.268 499 P C -0.347 176.718 177.300 -0.392 0.000 1.189 499 P CA 0.466 63.175 63.100 -0.652 0.000 0.771 499 P CB 0.380 31.855 31.700 -0.376 0.000 0.822 500 K N 1.478 121.773 120.400 -0.176 0.000 2.127 500 K HA 0.260 4.524 4.320 -0.094 0.000 0.240 500 K C -0.083 176.491 176.600 -0.044 0.000 1.024 500 K CA -0.372 55.907 56.287 -0.014 0.000 0.918 500 K CB 0.499 33.111 32.500 0.186 0.000 1.108 500 K HN 0.439 nan 8.250 nan 0.000 0.485 501 E N 0.964 121.253 120.200 0.149 0.000 2.176 501 E HA 0.138 4.432 4.350 -0.094 0.000 0.267 501 E C -0.985 175.818 176.600 0.339 0.000 0.893 501 E CA -0.650 55.919 56.400 0.282 0.000 0.761 501 E CB 0.960 30.747 29.700 0.144 0.000 1.133 501 E HN 0.303 nan 8.360 nan 0.000 0.409 502 F N 3.093 123.136 119.950 0.156 0.000 2.628 502 F HA -0.128 4.343 4.527 -0.094 0.000 0.362 502 F C -0.151 175.623 175.800 -0.044 0.000 1.106 502 F CA 0.711 58.583 58.000 -0.212 0.000 1.333 502 F CB 0.430 39.129 39.000 -0.501 0.000 0.996 502 F HN 0.382 nan 8.300 nan 0.000 0.608 503 N N 4.348 122.553 118.700 -0.826 0.000 2.461 503 N HA 0.369 5.052 4.740 -0.094 0.000 0.284 503 N C 0.417 175.498 175.510 -0.715 0.000 1.049 503 N CA 0.211 53.008 53.050 -0.423 0.000 0.889 503 N CB 1.853 40.238 38.487 -0.169 0.000 1.365 503 N HN 0.778 nan 8.380 nan 0.000 0.499 504 A N 2.707 125.389 122.820 -0.231 0.000 1.896 504 A HA -0.325 3.938 4.320 -0.094 0.000 0.220 504 A C 2.062 179.622 177.584 -0.040 0.000 1.206 504 A CA 2.909 54.969 52.037 0.039 0.000 0.647 504 A CB -1.007 18.094 19.000 0.168 0.000 0.828 504 A HN 0.773 nan 8.150 nan 0.000 0.455 505 E N -1.239 118.934 120.200 -0.045 0.000 2.097 505 E HA -0.210 4.084 4.350 -0.094 0.000 0.196 505 E C 1.984 178.553 176.600 -0.051 0.000 1.000 505 E CA 2.157 58.541 56.400 -0.027 0.000 0.804 505 E CB -1.814 27.871 29.700 -0.026 0.000 0.740 505 E HN 0.699 nan 8.360 nan 0.000 0.454 506 T N -0.363 114.137 114.554 -0.090 0.000 2.833 506 T HA -0.008 4.285 4.350 -0.094 0.000 0.269 506 T C 0.620 175.153 174.700 -0.277 0.000 1.054 506 T CA 1.211 63.218 62.100 -0.156 0.000 1.135 506 T CB -0.248 68.546 68.868 -0.123 0.000 0.869 506 T HN 0.450 nan 8.240 nan 0.000 0.466 507 F N 1.077 120.862 119.950 -0.274 0.000 2.791 507 F HA 0.317 4.789 4.527 -0.093 0.000 0.308 507 F C 0.500 176.264 175.800 -0.060 0.000 1.138 507 F CA -0.782 57.117 58.000 -0.169 0.000 1.294 507 F CB -0.133 38.810 39.000 -0.095 0.000 0.975 507 F HN -0.192 nan 8.300 nan 0.000 0.512 508 T N 1.398 116.011 114.554 0.098 0.000 2.832 508 T HA 0.433 4.726 4.350 -0.094 0.000 0.313 508 T C -0.038 174.715 174.700 0.089 0.000 1.035 508 T CA -0.152 62.009 62.100 0.101 0.000 0.950 508 T CB -0.496 68.422 68.868 0.083 0.000 0.984 508 T HN 0.128 nan 8.240 nan 0.000 0.486 509 F N 1.000 121.030 119.950 0.135 0.000 2.438 509 F HA 0.656 5.126 4.527 -0.094 0.000 0.356 509 F C 0.706 176.567 175.800 0.101 0.000 1.099 509 F CA -1.393 56.702 58.000 0.160 0.000 1.185 509 F CB -0.943 38.233 39.000 0.293 0.000 1.115 509 F HN 1.029 nan 8.300 nan 0.000 0.526 510 H N 0.644 119.757 119.070 0.070 0.000 2.669 510 H HA 0.808 5.308 4.556 -0.094 0.000 0.318 510 H C 1.289 176.639 175.328 0.036 0.000 1.429 510 H CA 0.064 56.142 56.048 0.050 0.000 1.460 510 H CB 1.128 30.914 29.762 0.039 0.000 1.784 510 H HN 1.419 nan 8.280 nan 0.000 0.750 511 A N -0.225 122.612 122.820 0.028 0.000 2.132 511 A HA -0.014 4.249 4.320 -0.094 0.000 0.213 511 A C 1.940 179.532 177.584 0.013 0.000 1.154 511 A CA 1.304 53.352 52.037 0.018 0.000 0.753 511 A CB -0.529 18.482 19.000 0.019 0.000 0.826 511 A HN 0.896 nan 8.150 nan 0.000 0.469 512 D N 0.888 121.297 120.400 0.016 0.000 2.203 512 D HA -0.226 4.358 4.640 -0.094 0.000 0.199 512 D C 1.643 177.948 176.300 0.009 0.000 0.997 512 D CA 2.013 56.020 54.000 0.013 0.000 0.863 512 D CB -0.894 39.915 40.800 0.015 0.000 0.928 512 D HN 0.510 nan 8.370 nan 0.000 0.458 513 I N 0.831 121.406 120.570 0.009 0.000 2.756 513 I HA -0.108 4.005 4.170 -0.094 0.000 0.262 513 I C 2.709 178.819 176.117 -0.011 0.000 1.225 513 I CA 1.269 62.569 61.300 0.001 0.000 1.472 513 I CB -1.490 36.510 38.000 -0.000 0.000 1.094 513 I HN 0.324 nan 8.210 nan 0.000 0.454 514 c N -0.355 118.239 118.600 -0.010 0.000 2.522 514 c HA 0.050 4.563 4.570 -0.094 0.000 0.271 514 c C 2.814 176.898 174.090 -0.009 0.000 1.425 514 c CA 1.478 57.798 56.329 -0.014 0.000 1.751 514 c CB -1.686 40.818 42.510 -0.010 0.000 1.775 514 c HN 0.770 nan 8.230 nan 0.000 0.557 515 T N -0.015 114.537 114.554 -0.004 0.000 3.023 515 T HA 0.282 4.576 4.350 -0.094 0.000 0.249 515 T C 0.876 175.575 174.700 -0.001 0.000 1.050 515 T CA 0.802 62.902 62.100 -0.001 0.000 1.088 515 T CB -0.252 68.619 68.868 0.004 0.000 0.946 515 T HN 0.370 nan 8.240 nan 0.000 0.480 516 L N 2.937 124.159 121.223 -0.001 0.000 2.499 516 L HA 0.661 4.945 4.340 -0.094 0.000 0.281 516 L C 1.048 177.915 176.870 -0.005 0.000 1.234 516 L CA 0.007 54.847 54.840 -0.000 0.000 0.839 516 L CB -0.812 41.248 42.059 0.001 0.000 1.104 516 L HN 0.626 nan 8.230 nan 0.000 0.500 517 S N 0.238 115.937 115.700 -0.002 0.000 2.580 517 S HA 0.058 4.471 4.470 -0.094 0.000 0.261 517 S C 1.071 175.663 174.600 -0.014 0.000 1.366 517 S CA 0.713 58.910 58.200 -0.005 0.000 0.996 517 S CB 0.459 63.659 63.200 0.001 0.000 0.902 517 S HN 1.040 nan 8.310 nan 0.000 0.566 518 E N 1.681 121.867 120.200 -0.022 0.000 2.038 518 E HA -0.132 4.162 4.350 -0.094 0.000 0.195 518 E C 2.472 179.049 176.600 -0.039 0.000 1.000 518 E CA 2.513 58.889 56.400 -0.039 0.000 0.803 518 E CB -1.185 28.487 29.700 -0.046 0.000 0.750 518 E HN 0.815 nan 8.360 nan 0.000 0.448 519 K N 0.364 120.751 120.400 -0.023 0.000 2.015 519 K HA -0.214 4.049 4.320 -0.094 0.000 0.216 519 K C 2.345 178.947 176.600 0.003 0.000 1.052 519 K CA 2.801 59.084 56.287 -0.008 0.000 0.937 519 K CB -1.983 30.523 32.500 0.010 0.000 0.719 519 K HN 0.502 nan 8.250 nan 0.000 0.446 520 E N 1.205 121.408 120.200 0.006 0.000 2.501 520 E HA -0.189 4.104 4.350 -0.094 0.000 0.203 520 E C 2.096 178.704 176.600 0.013 0.000 1.072 520 E CA 1.472 57.879 56.400 0.012 0.000 0.885 520 E CB -0.596 29.110 29.700 0.010 0.000 0.813 520 E HN 0.786 nan 8.360 nan 0.000 0.556 521 R N -1.196 119.304 120.500 -0.000 0.000 2.103 521 R HA 0.103 4.386 4.340 -0.094 0.000 0.212 521 R C 2.706 179.021 176.300 0.025 0.000 1.107 521 R CA 0.731 56.829 56.100 -0.003 0.000 1.025 521 R CB -0.015 30.262 30.300 -0.039 0.000 0.929 521 R HN 0.395 nan 8.270 nan 0.000 0.456 522 Q N 0.918 120.719 119.800 0.002 0.000 2.112 522 Q HA -0.161 4.122 4.340 -0.094 0.000 0.206 522 Q C 2.115 178.206 176.000 0.151 0.000 0.987 522 Q CA 1.552 57.390 55.803 0.057 0.000 0.858 522 Q CB -0.170 28.559 28.738 -0.015 0.000 0.905 522 Q HN 0.363 nan 8.270 nan 0.000 0.420 523 I N 0.633 121.260 120.570 0.095 0.000 2.286 523 I HA -0.292 3.821 4.170 -0.094 0.000 0.248 523 I C 2.750 178.912 176.117 0.074 0.000 1.115 523 I CA 1.585 62.933 61.300 0.081 0.000 1.392 523 I CB -0.518 37.512 38.000 0.049 0.000 1.065 523 I HN 0.199 nan 8.210 nan 0.000 0.418 524 K N 1.091 121.540 120.400 0.080 0.000 2.155 524 K HA -0.108 4.155 4.320 -0.094 0.000 0.203 524 K C 2.036 178.740 176.600 0.174 0.000 1.052 524 K CA 1.089 57.434 56.287 0.097 0.000 0.948 524 K CB -0.548 32.010 32.500 0.096 0.000 0.728 524 K HN 0.303 nan 8.250 nan 0.000 0.448 525 K N 0.038 120.569 120.400 0.219 0.000 2.057 525 K HA -0.145 4.118 4.320 -0.094 0.000 0.207 525 K C 2.619 179.330 176.600 0.186 0.000 1.049 525 K CA 1.706 58.184 56.287 0.318 0.000 0.931 525 K CB -0.008 32.684 32.500 0.321 0.000 0.714 525 K HN 0.549 nan 8.250 nan 0.000 0.440 526 Q N -0.386 119.502 119.800 0.146 0.000 2.079 526 Q HA -0.098 4.186 4.340 -0.094 0.000 0.200 526 Q C 1.915 177.918 176.000 0.005 0.000 0.974 526 Q CA 1.727 57.573 55.803 0.071 0.000 0.840 526 Q CB -0.002 28.781 28.738 0.075 0.000 0.898 526 Q HN 0.243 nan 8.270 nan 0.000 0.430 527 T N 0.705 115.255 114.554 -0.006 0.000 2.897 527 T HA -0.141 4.152 4.350 -0.094 0.000 0.271 527 T C 1.677 176.293 174.700 -0.140 0.000 1.084 527 T CA 1.008 63.070 62.100 -0.063 0.000 1.123 527 T CB -0.133 68.698 68.868 -0.061 0.000 0.865 527 T HN 0.368 nan 8.240 nan 0.000 0.496 528 A N 1.283 124.019 122.820 -0.139 0.000 1.855 528 A HA 0.141 4.405 4.320 -0.094 0.000 0.213 528 A C 2.143 179.621 177.584 -0.177 0.000 1.195 528 A CA 0.737 52.606 52.037 -0.280 0.000 0.610 528 A CB -0.806 17.988 19.000 -0.342 0.000 0.837 528 A HN 0.385 nan 8.150 nan 0.000 0.444 529 L N 0.261 121.440 121.223 -0.074 0.000 2.081 529 L HA -0.159 4.125 4.340 -0.094 0.000 0.212 529 L C 2.353 179.212 176.870 -0.017 0.000 1.080 529 L CA 1.910 56.736 54.840 -0.024 0.000 0.754 529 L CB -0.561 41.494 42.059 -0.006 0.000 0.893 529 L HN 0.165 nan 8.230 nan 0.000 0.433 530 V N -0.524 119.366 119.914 -0.040 0.000 2.261 530 V HA -0.233 3.830 4.120 -0.094 0.000 0.246 530 V C 2.614 178.704 176.094 -0.007 0.000 1.047 530 V CA 1.816 64.099 62.300 -0.028 0.000 1.015 530 V CB -0.627 31.168 31.823 -0.046 0.000 0.642 530 V HN 0.436 nan 8.190 nan 0.000 0.446 531 E N -0.144 120.020 120.200 -0.060 0.000 2.209 531 E HA -0.168 4.126 4.350 -0.094 0.000 0.196 531 E C 2.167 178.898 176.600 0.218 0.000 0.993 531 E CA 1.009 57.403 56.400 -0.010 0.000 0.819 531 E CB -0.219 29.274 29.700 -0.346 0.000 0.745 531 E HN 0.504 nan 8.360 nan 0.000 0.477 532 L N 0.011 121.343 121.223 0.181 0.000 1.988 532 L HA -0.153 4.130 4.340 -0.094 0.000 0.207 532 L C 2.474 179.468 176.870 0.208 0.000 1.071 532 L CA 0.898 55.891 54.840 0.256 0.000 0.744 532 L CB -0.576 41.581 42.059 0.164 0.000 0.893 532 L HN 0.002 nan 8.230 nan 0.000 0.433 533 V N 0.114 120.104 119.914 0.127 0.000 2.546 533 V HA -0.316 3.747 4.120 -0.094 0.000 0.254 533 V C 2.390 178.572 176.094 0.147 0.000 1.076 533 V CA 1.688 64.051 62.300 0.106 0.000 1.087 533 V CB -0.721 31.131 31.823 0.048 0.000 0.674 533 V HN 0.446 nan 8.190 nan 0.000 0.470 534 K N -1.146 119.357 120.400 0.172 0.000 2.228 534 K HA -0.106 4.157 4.320 -0.094 0.000 0.202 534 K C 2.146 178.959 176.600 0.355 0.000 1.051 534 K CA 0.897 57.329 56.287 0.243 0.000 0.960 534 K CB -0.201 32.413 32.500 0.190 0.000 0.743 534 K HN 0.554 nan 8.250 nan 0.000 0.458 535 H N 0.516 119.712 119.070 0.210 0.000 2.525 535 H HA 0.035 4.534 4.556 -0.095 0.000 0.275 535 H C 0.208 175.601 175.328 0.109 0.000 0.984 535 H CA 1.036 57.176 56.048 0.154 0.000 1.264 535 H CB 0.645 30.491 29.762 0.140 0.000 1.432 535 H HN -0.005 nan 8.280 nan 0.000 0.549 536 K N 0.942 121.456 120.400 0.189 0.000 3.146 536 K HA 0.290 4.553 4.320 -0.094 0.000 0.168 536 K C -2.507 174.160 176.600 0.112 0.000 1.075 536 K CA -1.232 55.124 56.287 0.116 0.000 0.843 536 K CB 0.582 33.161 32.500 0.133 0.000 1.002 536 K HN 0.102 nan 8.250 nan 0.000 0.597 537 P HA -0.251 nan 4.420 nan 0.000 0.215 537 P C 1.844 179.191 177.300 0.079 0.000 1.163 537 P CA 2.638 65.823 63.100 0.141 0.000 0.894 537 P CB 0.175 32.020 31.700 0.242 0.000 0.791 538 K N -0.783 119.653 120.400 0.059 0.000 2.574 538 K HA 0.260 4.524 4.320 -0.094 0.000 0.193 538 K C 1.143 177.762 176.600 0.033 0.000 1.035 538 K CA 0.949 57.257 56.287 0.036 0.000 0.982 538 K CB -1.425 31.088 32.500 0.021 0.000 0.795 538 K HN 0.379 nan 8.250 nan 0.000 0.491 539 A N 1.040 123.887 122.820 0.044 0.000 2.366 539 A HA 0.506 4.769 4.320 -0.094 0.000 0.250 539 A C 0.891 178.494 177.584 0.033 0.000 1.099 539 A CA 0.437 52.499 52.037 0.042 0.000 0.794 539 A CB 0.047 19.081 19.000 0.057 0.000 1.056 539 A HN 0.727 nan 8.150 nan 0.000 0.499 540 T N -3.072 111.500 114.554 0.029 0.000 2.950 540 T HA 0.636 4.930 4.350 -0.094 0.000 0.288 540 T C 0.982 175.696 174.700 0.024 0.000 1.035 540 T CA 0.005 62.118 62.100 0.023 0.000 1.028 540 T CB 1.425 70.305 68.868 0.020 0.000 1.109 540 T HN 0.986 nan 8.240 nan 0.000 0.514 541 K N 0.260 120.671 120.400 0.018 0.000 2.442 541 K HA -0.038 4.226 4.320 -0.094 0.000 0.198 541 K C 1.781 178.394 176.600 0.021 0.000 1.042 541 K CA 1.346 57.642 56.287 0.015 0.000 0.958 541 K CB -0.965 31.540 32.500 0.009 0.000 0.766 541 K HN 0.758 nan 8.250 nan 0.000 0.474 542 E N 0.722 120.936 120.200 0.023 0.000 2.016 542 E HA -0.152 4.141 4.350 -0.094 0.000 0.190 542 E C 2.278 178.898 176.600 0.033 0.000 0.985 542 E CA 1.297 57.713 56.400 0.026 0.000 0.802 542 E CB -0.420 29.294 29.700 0.023 0.000 0.762 542 E HN 0.780 nan 8.360 nan 0.000 0.448 543 Q N 0.804 120.625 119.800 0.034 0.000 2.061 543 Q HA -0.117 4.166 4.340 -0.094 0.000 0.204 543 Q C 2.549 178.579 176.000 0.049 0.000 0.984 543 Q CA 1.286 57.113 55.803 0.041 0.000 0.846 543 Q CB -0.371 28.391 28.738 0.039 0.000 0.902 543 Q HN 0.199 nan 8.270 nan 0.000 0.421 544 L N 0.739 121.989 121.223 0.046 0.000 1.978 544 L HA -0.330 3.954 4.340 -0.094 0.000 0.218 544 L C 2.866 179.770 176.870 0.057 0.000 1.075 544 L CA 2.041 56.911 54.840 0.050 0.000 0.767 544 L CB -1.365 40.717 42.059 0.037 0.000 0.890 544 L HN 0.293 nan 8.230 nan 0.000 0.434 545 K N 0.512 120.941 120.400 0.048 0.000 1.981 545 K HA -0.257 4.007 4.320 -0.094 0.000 0.228 545 K C 2.281 178.926 176.600 0.076 0.000 1.050 545 K CA 2.224 58.544 56.287 0.055 0.000 1.001 545 K CB -1.745 30.780 32.500 0.043 0.000 0.738 545 K HN 0.427 nan 8.250 nan 0.000 0.447 546 A N 0.211 123.072 122.820 0.068 0.000 1.985 546 A HA -0.147 4.116 4.320 -0.094 0.000 0.223 546 A C 2.625 180.274 177.584 0.108 0.000 1.189 546 A CA 2.642 54.725 52.037 0.077 0.000 0.658 546 A CB -0.965 18.072 19.000 0.062 0.000 0.820 546 A HN 0.561 nan 8.150 nan 0.000 0.464 547 V N -0.557 119.425 119.914 0.113 0.000 2.270 547 V HA -0.276 3.788 4.120 -0.094 0.000 0.245 547 V C 2.630 178.845 176.094 0.201 0.000 1.043 547 V CA 1.947 64.336 62.300 0.149 0.000 1.014 547 V CB -0.633 31.256 31.823 0.109 0.000 0.645 547 V HN 0.528 nan 8.190 nan 0.000 0.447 548 M N -0.024 119.676 119.600 0.167 0.000 2.144 548 M HA -0.209 4.215 4.480 -0.094 0.000 0.260 548 M C 1.959 178.407 176.300 0.247 0.000 1.067 548 M CA 1.728 57.155 55.300 0.213 0.000 1.095 548 M CB -1.461 31.234 32.600 0.159 0.000 1.365 548 M HN 0.394 nan 8.290 nan 0.000 0.406 549 D N 0.307 120.818 120.400 0.186 0.000 2.123 549 D HA -0.163 4.420 4.640 -0.094 0.000 0.196 549 D C 1.734 178.144 176.300 0.183 0.000 0.992 549 D CA 1.099 55.192 54.000 0.155 0.000 0.833 549 D CB -0.357 40.506 40.800 0.106 0.000 0.954 549 D HN 0.338 nan 8.370 nan 0.000 0.455 550 D N -0.283 120.264 120.400 0.245 0.000 2.078 550 D HA -0.144 4.439 4.640 -0.094 0.000 0.193 550 D C 1.887 178.553 176.300 0.610 0.000 0.990 550 D CA 0.437 54.627 54.000 0.317 0.000 0.827 550 D CB -0.379 40.695 40.800 0.457 0.000 0.975 550 D HN 0.056 nan 8.370 nan 0.000 0.451 551 F N 1.698 121.988 119.950 0.567 0.000 2.192 551 F HA -0.224 4.245 4.527 -0.096 0.000 0.301 551 F C 2.169 178.217 175.800 0.412 0.000 1.079 551 F CA 1.192 59.527 58.000 0.559 0.000 1.303 551 F CB -0.599 38.505 39.000 0.173 0.000 1.024 551 F HN -0.066 nan 8.300 nan 0.000 0.494 552 A N -0.014 122.968 122.820 0.269 0.000 1.877 552 A HA -0.064 4.199 4.320 -0.094 0.000 0.216 552 A C 2.502 180.101 177.584 0.025 0.000 1.186 552 A CA 1.953 54.034 52.037 0.074 0.000 0.620 552 A CB -1.518 17.536 19.000 0.090 0.000 0.822 552 A HN 0.421 nan 8.150 nan 0.000 0.443 553 A N -0.882 121.956 122.820 0.031 0.000 1.908 553 A HA -0.051 4.213 4.320 -0.094 0.000 0.218 553 A C 1.952 179.458 177.584 -0.130 0.000 1.181 553 A CA 1.654 53.629 52.037 -0.103 0.000 0.627 553 A CB -0.843 18.021 19.000 -0.227 0.000 0.818 553 A HN 0.492 nan 8.150 nan 0.000 0.445 554 F N 0.120 120.047 119.950 -0.039 0.000 2.102 554 F HA -0.180 4.290 4.527 -0.094 0.000 0.298 554 F C 2.446 178.165 175.800 -0.135 0.000 1.105 554 F CA 1.659 59.627 58.000 -0.054 0.000 1.239 554 F CB -0.902 38.104 39.000 0.009 0.000 0.991 554 F HN 0.049 nan 8.300 nan 0.000 0.474 555 V N 0.996 120.875 119.914 -0.058 0.000 2.244 555 V HA -0.287 3.776 4.120 -0.094 0.000 0.244 555 V C 2.304 178.358 176.094 -0.066 0.000 1.042 555 V CA 2.135 64.359 62.300 -0.128 0.000 1.006 555 V CB -1.299 30.380 31.823 -0.241 0.000 0.641 555 V HN 0.462 nan 8.190 nan 0.000 0.446 556 E N 1.686 121.848 120.200 -0.063 0.000 2.147 556 E HA -0.338 3.955 4.350 -0.094 0.000 0.199 556 E C 2.100 178.678 176.600 -0.036 0.000 1.005 556 E CA 2.067 58.439 56.400 -0.048 0.000 0.810 556 E CB -0.352 29.321 29.700 -0.046 0.000 0.736 556 E HN 0.692 nan 8.360 nan 0.000 0.460 557 K N 0.791 121.170 120.400 -0.035 0.000 1.984 557 K HA -0.112 4.151 4.320 -0.094 0.000 0.219 557 K C 2.209 178.806 176.600 -0.006 0.000 1.033 557 K CA 1.588 57.860 56.287 -0.026 0.000 0.983 557 K CB -0.670 31.807 32.500 -0.038 0.000 0.762 557 K HN 0.247 nan 8.250 nan 0.000 0.445 558 c N 1.184 119.794 118.600 0.016 0.000 2.396 558 c HA -0.191 4.322 4.570 -0.094 0.000 0.279 558 c C 2.849 176.945 174.090 0.010 0.000 1.229 558 c CA 0.835 57.179 56.329 0.026 0.000 1.801 558 c CB -1.192 41.349 42.510 0.052 0.000 2.050 558 c HN 0.659 nan 8.230 nan 0.000 0.491 559 c N 0.060 118.658 118.600 -0.003 0.000 2.485 559 c HA 0.067 4.580 4.570 -0.094 0.000 0.283 559 c C 2.366 176.451 174.090 -0.008 0.000 1.478 559 c CA 1.576 57.899 56.329 -0.009 0.000 1.741 559 c CB -1.658 40.838 42.510 -0.023 0.000 1.675 559 c HN 0.776 nan 8.230 nan 0.000 0.573 560 K N -0.790 119.605 120.400 -0.007 0.000 2.501 560 K HA 0.693 4.957 4.320 -0.094 0.000 0.204 560 K C 0.269 176.868 176.600 -0.003 0.000 1.067 560 K CA 0.670 56.953 56.287 -0.007 0.000 1.060 560 K CB -0.040 32.453 32.500 -0.012 0.000 0.873 560 K HN 0.412 nan 8.250 nan 0.000 0.540 561 A N 0.280 123.101 122.820 0.003 0.000 2.306 561 A HA 0.552 4.816 4.320 -0.094 0.000 0.314 561 A C 0.973 178.562 177.584 0.008 0.000 1.164 561 A CA 0.406 52.447 52.037 0.006 0.000 0.822 561 A CB 0.264 19.272 19.000 0.013 0.000 1.130 561 A HN 0.571 nan 8.150 nan 0.000 0.496 562 D N 1.583 121.988 120.400 0.007 0.000 2.340 562 D HA 0.121 4.704 4.640 -0.094 0.000 0.220 562 D C 0.503 176.809 176.300 0.010 0.000 1.039 562 D CA 0.549 54.554 54.000 0.008 0.000 0.866 562 D CB -0.357 40.447 40.800 0.006 0.000 0.913 562 D HN 0.817 nan 8.370 nan 0.000 0.523 563 D N -0.078 120.330 120.400 0.013 0.000 2.363 563 D HA 0.345 4.928 4.640 -0.094 0.000 0.240 563 D C 0.734 177.044 176.300 0.017 0.000 1.236 563 D CA 0.282 54.291 54.000 0.015 0.000 0.927 563 D CB 0.522 41.333 40.800 0.019 0.000 1.150 563 D HN 0.431 nan 8.370 nan 0.000 0.458 564 K N -0.416 119.994 120.400 0.017 0.000 2.344 564 K HA 0.318 4.581 4.320 -0.094 0.000 0.260 564 K C 1.219 177.832 176.600 0.022 0.000 0.988 564 K CA 0.663 56.961 56.287 0.018 0.000 0.909 564 K CB -1.216 31.295 32.500 0.018 0.000 0.968 564 K HN 0.763 nan 8.250 nan 0.000 0.505 565 E N 0.829 121.042 120.200 0.022 0.000 2.565 565 E HA 0.021 4.315 4.350 -0.094 0.000 0.212 565 E C 1.384 178.004 176.600 0.032 0.000 1.341 565 E CA 1.036 57.452 56.400 0.026 0.000 1.236 565 E CB -1.474 28.241 29.700 0.024 0.000 1.246 565 E HN 0.642 nan 8.360 nan 0.000 0.446 566 T N -0.759 113.814 114.554 0.032 0.000 3.014 566 T HA -0.104 4.190 4.350 -0.094 0.000 0.263 566 T C 2.316 177.043 174.700 0.044 0.000 1.078 566 T CA 0.963 63.084 62.100 0.035 0.000 1.135 566 T CB -0.772 68.114 68.868 0.030 0.000 0.895 566 T HN 0.980 nan 8.240 nan 0.000 0.480 567 c N 1.860 120.487 118.600 0.046 0.000 2.367 567 c HA -0.196 4.317 4.570 -0.094 0.000 0.276 567 c C 2.630 176.766 174.090 0.077 0.000 1.195 567 c CA 1.238 57.602 56.329 0.059 0.000 1.756 567 c CB -1.883 40.661 42.510 0.057 0.000 2.046 567 c HN 0.516 nan 8.230 nan 0.000 0.453 568 F N 1.070 121.064 119.950 0.074 0.000 2.236 568 F HA 0.259 4.729 4.527 -0.094 0.000 0.302 568 F C 2.666 178.515 175.800 0.081 0.000 1.073 568 F CA 2.452 60.503 58.000 0.084 0.000 1.336 568 F CB -1.468 37.573 39.000 0.068 0.000 1.040 568 F HN 0.781 nan 8.300 nan 0.000 0.507 569 A N -0.328 122.532 122.820 0.066 0.000 1.887 569 A HA 0.282 4.546 4.320 -0.094 0.000 0.212 569 A C 2.071 179.693 177.584 0.063 0.000 1.198 569 A CA 1.774 53.848 52.037 0.061 0.000 0.628 569 A CB -1.316 17.713 19.000 0.048 0.000 0.847 569 A HN 0.804 nan 8.150 nan 0.000 0.449 570 E N 0.465 120.702 120.200 0.061 0.000 2.076 570 E HA -0.115 4.178 4.350 -0.094 0.000 0.190 570 E C 1.662 178.306 176.600 0.073 0.000 0.979 570 E CA 1.196 57.631 56.400 0.058 0.000 0.807 570 E CB -0.744 28.985 29.700 0.049 0.000 0.761 570 E HN 0.803 nan 8.360 nan 0.000 0.454 571 E N -0.129 120.127 120.200 0.094 0.000 2.427 571 E HA 0.063 4.356 4.350 -0.094 0.000 0.196 571 E C 2.236 178.921 176.600 0.142 0.000 1.028 571 E CA 0.286 56.766 56.400 0.133 0.000 0.864 571 E CB 0.210 30.011 29.700 0.168 0.000 0.813 571 E HN 0.493 nan 8.360 nan 0.000 0.514 572 G N 1.538 110.404 108.800 0.111 0.000 2.403 572 G HA2 -0.284 3.619 3.960 -0.094 0.000 0.216 572 G HA3 -0.284 3.619 3.960 -0.094 0.000 0.216 572 G C 1.769 176.723 174.900 0.090 0.000 1.154 572 G CA 1.054 46.215 45.100 0.101 0.000 0.784 572 G HN 0.329 nan 8.290 nan 0.000 0.538 573 K N 0.151 120.598 120.400 0.077 0.000 2.365 573 K HA 0.399 4.662 4.320 -0.094 0.000 0.197 573 K C 2.417 179.031 176.600 0.022 0.000 1.042 573 K CA 1.558 57.876 56.287 0.051 0.000 0.987 573 K CB -0.714 31.813 32.500 0.044 0.000 0.779 573 K HN 0.576 nan 8.250 nan 0.000 0.484 574 K N 0.186 120.618 120.400 0.054 0.000 2.076 574 K HA 0.390 4.654 4.320 -0.094 0.000 0.204 574 K C 2.711 179.356 176.600 0.075 0.000 1.051 574 K CA 1.499 57.825 56.287 0.064 0.000 0.949 574 K CB -1.535 31.026 32.500 0.101 0.000 0.726 574 K HN 0.735 nan 8.250 nan 0.000 0.443 575 L N 0.479 121.764 121.223 0.104 0.000 2.141 575 L HA 0.085 4.368 4.340 -0.094 0.000 0.209 575 L C 2.815 179.670 176.870 -0.025 0.000 1.094 575 L CA 2.085 56.976 54.840 0.086 0.000 0.763 575 L CB -1.305 40.672 42.059 -0.137 0.000 0.908 575 L HN 0.305 nan 8.230 nan 0.000 0.437 576 V N 0.207 120.084 119.914 -0.062 0.000 2.407 576 V HA -0.252 3.812 4.120 -0.094 0.000 0.248 576 V C 3.157 179.085 176.094 -0.277 0.000 1.055 576 V CA 1.823 64.000 62.300 -0.204 0.000 1.049 576 V CB -1.059 30.625 31.823 -0.232 0.000 0.662 576 V HN 0.787 nan 8.190 nan 0.000 0.455 577 A N -0.172 122.551 122.820 -0.162 0.000 1.898 577 A HA -0.039 4.225 4.320 -0.094 0.000 0.216 577 A C 2.413 179.940 177.584 -0.095 0.000 1.181 577 A CA 1.882 53.836 52.037 -0.139 0.000 0.620 577 A CB -0.650 18.305 19.000 -0.075 0.000 0.819 577 A HN 0.545 nan 8.150 nan 0.000 0.442 578 A N 0.457 123.255 122.820 -0.037 0.000 1.873 578 A HA -0.068 4.195 4.320 -0.094 0.000 0.215 578 A C 2.531 180.102 177.584 -0.020 0.000 1.186 578 A CA 2.309 54.349 52.037 0.004 0.000 0.616 578 A CB -1.100 17.950 19.000 0.083 0.000 0.823 578 A HN 0.933 nan 8.150 nan 0.000 0.442 579 S N -0.690 114.980 115.700 -0.049 0.000 2.359 579 S HA -0.246 4.167 4.470 -0.094 0.000 0.222 579 S C 2.268 176.804 174.600 -0.106 0.000 1.038 579 S CA 2.237 60.395 58.200 -0.071 0.000 1.051 579 S CB -1.318 61.812 63.200 -0.117 0.000 0.944 579 S HN 0.990 nan 8.310 nan 0.000 0.433 580 Q N 1.166 120.850 119.800 -0.193 0.000 2.248 580 Q HA 0.140 4.423 4.340 -0.094 0.000 0.208 580 Q C 2.454 178.401 176.000 -0.088 0.000 0.984 580 Q CA 2.142 57.837 55.803 -0.180 0.000 0.875 580 Q CB -1.585 26.994 28.738 -0.266 0.000 0.910 580 Q HN 1.028 nan 8.270 nan 0.000 0.433 581 A N 0.312 123.090 122.820 -0.070 0.000 1.930 581 A HA 0.457 4.720 4.320 -0.094 0.000 0.217 581 A C 1.839 179.414 177.584 -0.014 0.000 1.175 581 A CA 1.265 53.281 52.037 -0.036 0.000 0.627 581 A CB -0.633 18.352 19.000 -0.025 0.000 0.815 581 A HN 1.120 nan 8.150 nan 0.000 0.443 582 A N 0.000 122.816 122.820 -0.007 0.000 2.254 582 A HA 0.000 4.263 4.320 -0.094 0.000 0.244 582 A CA 0.000 52.044 52.037 0.012 0.000 0.836 582 A CB 0.000 19.015 19.000 0.025 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486