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 2xw0_1_B DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTXXXXXXXX XXXXDccAKQ 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 0.000 174.685 174.600 0.141 0.000 1.055 5 S CA 0.000 58.260 58.200 0.100 0.000 1.107 5 S CB 0.000 63.240 63.200 0.066 0.000 0.593 6 E N 2.598 122.899 120.200 0.169 0.000 2.106 6 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 6 E C 1.923 178.667 176.600 0.239 0.000 0.984 6 E CA 1.430 57.953 56.400 0.205 0.000 0.806 6 E CB 0.038 29.836 29.700 0.163 0.000 0.750 6 E HN 0.646 nan 8.360 nan 0.000 0.458 7 V N 1.483 121.551 119.914 0.257 0.000 2.324 7 V HA -0.328 3.792 4.120 -0.000 0.000 0.250 7 V C 2.498 178.757 176.094 0.274 0.000 1.060 7 V CA 1.941 64.437 62.300 0.327 0.000 1.042 7 V CB -0.981 31.040 31.823 0.329 0.000 0.650 7 V HN 0.269 nan 8.190 nan 0.000 0.450 8 A N -0.669 122.258 122.820 0.178 0.000 1.845 8 A HA -0.296 4.024 4.320 -0.000 0.000 0.215 8 A C 2.186 179.911 177.584 0.235 0.000 1.195 8 A CA 2.087 54.199 52.037 0.125 0.000 0.616 8 A CB -1.094 17.937 19.000 0.052 0.000 0.832 8 A HN 0.735 nan 8.150 nan 0.000 0.443 9 H N -0.613 118.526 119.070 0.116 0.000 2.357 9 H HA -0.270 4.286 4.556 0.000 0.000 0.296 9 H C 2.487 177.906 175.328 0.151 0.000 1.108 9 H CA 2.253 58.369 56.048 0.113 0.000 1.273 9 H CB 0.095 29.914 29.762 0.094 0.000 1.367 9 H HN 0.473 nan 8.280 nan 0.000 0.498 10 R N 0.365 121.003 120.500 0.231 0.000 2.073 10 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 10 R C 2.151 178.648 176.300 0.327 0.000 1.120 10 R CA 1.329 57.550 56.100 0.202 0.000 0.967 10 R CB -1.704 28.758 30.300 0.270 0.000 0.862 10 R HN 0.484 nan 8.270 nan 0.000 0.436 11 F N 2.107 122.146 119.950 0.149 0.000 2.134 11 F HA -0.086 4.441 4.527 0.000 0.000 0.299 11 F C 2.831 178.628 175.800 -0.006 0.000 1.097 11 F CA 2.602 60.546 58.000 -0.095 0.000 1.264 11 F CB -0.390 38.375 39.000 -0.392 0.000 1.001 11 F HN 0.388 nan 8.300 nan 0.000 0.479 12 K N 0.094 120.689 120.400 0.325 0.000 1.984 12 K HA -0.158 4.161 4.320 -0.000 0.000 0.209 12 K C 1.941 178.632 176.600 0.152 0.000 1.046 12 K CA 1.857 58.284 56.287 0.233 0.000 0.934 12 K CB -1.508 31.108 32.500 0.194 0.000 0.717 12 K HN 0.396 nan 8.250 nan 0.000 0.438 13 D N 0.364 120.867 120.400 0.170 0.000 2.123 13 D HA -0.108 4.532 4.640 -0.000 0.000 0.196 13 D C 1.868 178.213 176.300 0.075 0.000 0.992 13 D CA 1.280 55.356 54.000 0.127 0.000 0.833 13 D CB 0.156 41.040 40.800 0.139 0.000 0.954 13 D HN 0.192 nan 8.370 nan 0.000 0.455 14 L N -0.285 120.979 121.223 0.068 0.000 2.127 14 L HA 0.147 4.487 4.340 -0.000 0.000 0.203 14 L C 1.379 178.242 176.870 -0.012 0.000 1.080 14 L CA 1.054 55.916 54.840 0.036 0.000 0.768 14 L CB -1.295 40.806 42.059 0.070 0.000 0.924 14 L HN 0.089 nan 8.230 nan 0.000 0.444 15 G N -0.229 108.517 108.800 -0.091 0.000 2.650 15 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.686 15 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.686 15 G C 0.503 175.201 174.900 -0.337 0.000 1.205 15 G CA 0.069 45.073 45.100 -0.161 0.000 0.781 15 G HN 0.217 nan 8.290 nan 0.000 0.648 16 E N 0.065 120.008 120.200 -0.428 0.000 2.070 16 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 16 E C 2.044 178.562 176.600 -0.136 0.000 1.004 16 E CA 2.126 58.259 56.400 -0.444 0.000 0.805 16 E CB -0.013 29.595 29.700 -0.154 0.000 0.744 16 E HN 0.719 nan 8.360 nan 0.000 0.451 17 E N 0.002 120.166 120.200 -0.059 0.000 2.000 17 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 17 E C 2.047 178.654 176.600 0.011 0.000 1.011 17 E CA 1.283 57.682 56.400 -0.002 0.000 0.836 17 E CB -0.151 29.554 29.700 0.009 0.000 0.778 17 E HN 0.238 nan 8.360 nan 0.000 0.462 18 N N 0.437 119.139 118.700 0.004 0.000 2.184 18 N HA -0.211 4.529 4.740 -0.000 0.000 0.190 18 N C 1.583 177.093 175.510 -0.000 0.000 1.011 18 N CA 0.977 54.030 53.050 0.005 0.000 0.867 18 N CB -0.460 38.030 38.487 0.005 0.000 0.993 18 N HN 0.138 nan 8.380 nan 0.000 0.433 19 F N 1.798 121.658 119.950 -0.150 0.000 2.102 19 F HA -0.096 4.431 4.527 0.000 0.000 0.298 19 F C 2.025 177.774 175.800 -0.085 0.000 1.105 19 F CA 1.390 59.299 58.000 -0.150 0.000 1.239 19 F CB -0.032 38.758 39.000 -0.349 0.000 0.991 19 F HN -0.089 nan 8.300 nan 0.000 0.474 20 K N 0.154 120.632 120.400 0.130 0.000 2.057 20 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 20 K C 2.303 178.870 176.600 -0.055 0.000 1.049 20 K CA 1.163 57.485 56.287 0.057 0.000 0.931 20 K CB -0.530 32.021 32.500 0.085 0.000 0.714 20 K HN 0.359 nan 8.250 nan 0.000 0.440 21 A N 1.550 124.350 122.820 -0.034 0.000 1.873 21 A HA -0.125 4.194 4.320 -0.000 0.000 0.215 21 A C 2.154 179.699 177.584 -0.064 0.000 1.186 21 A CA 1.190 53.212 52.037 -0.026 0.000 0.616 21 A CB -0.673 18.329 19.000 0.004 0.000 0.823 21 A HN 0.133 nan 8.150 nan 0.000 0.442 22 L N -0.440 120.718 121.223 -0.109 0.000 1.989 22 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 22 L C 2.541 179.335 176.870 -0.127 0.000 1.071 22 L CA 1.331 56.096 54.840 -0.125 0.000 0.749 22 L CB -0.681 41.279 42.059 -0.165 0.000 0.890 22 L HN 0.247 nan 8.230 nan 0.000 0.431 23 V N -0.039 119.746 119.914 -0.215 0.000 2.392 23 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 23 V C 2.373 178.404 176.094 -0.105 0.000 1.059 23 V CA 1.638 63.873 62.300 -0.109 0.000 1.051 23 V CB -0.442 31.199 31.823 -0.304 0.000 0.658 23 V HN 0.340 nan 8.190 nan 0.000 0.455 24 L N 0.010 121.148 121.223 -0.141 0.000 2.056 24 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 24 L C 2.159 179.061 176.870 0.054 0.000 1.078 24 L CA 1.861 56.655 54.840 -0.078 0.000 0.749 24 L CB -0.482 41.564 42.059 -0.022 0.000 0.901 24 L HN 0.223 nan 8.230 nan 0.000 0.433 25 I N -0.355 120.224 120.570 0.016 0.000 2.286 25 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 25 I C 2.590 178.702 176.117 -0.009 0.000 1.115 25 I CA 1.087 62.385 61.300 -0.002 0.000 1.392 25 I CB -0.700 37.279 38.000 -0.035 0.000 1.065 25 I HN 0.383 nan 8.210 nan 0.000 0.418 26 A N 1.132 123.958 122.820 0.009 0.000 1.858 26 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 26 A C 2.064 179.590 177.584 -0.098 0.000 1.190 26 A CA 1.611 53.570 52.037 -0.130 0.000 0.617 26 A CB -1.002 17.951 19.000 -0.079 0.000 0.827 26 A HN 0.298 nan 8.150 nan 0.000 0.443 27 F N 0.263 120.143 119.950 -0.117 0.000 2.126 27 F HA -0.116 4.411 4.527 -0.000 0.000 0.299 27 F C 2.818 178.632 175.800 0.024 0.000 1.096 27 F CA 0.714 58.705 58.000 -0.014 0.000 1.255 27 F CB -0.955 38.063 39.000 0.031 0.000 0.997 27 F HN 0.258 nan 8.300 nan 0.000 0.479 28 A N -0.687 122.265 122.820 0.220 0.000 2.015 28 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 28 A C 2.109 179.701 177.584 0.013 0.000 1.163 28 A CA 1.339 53.449 52.037 0.122 0.000 0.646 28 A CB -0.613 18.427 19.000 0.066 0.000 0.806 28 A HN 0.489 nan 8.150 nan 0.000 0.448 29 Q N -2.012 117.772 119.800 -0.026 0.000 2.269 29 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 29 Q C 1.543 177.579 176.000 0.060 0.000 0.946 29 Q CA 0.822 56.590 55.803 -0.058 0.000 0.877 29 Q CB -0.088 28.561 28.738 -0.148 0.000 0.963 29 Q HN 0.762 nan 8.270 nan 0.000 0.472 30 Y N -0.101 120.150 120.300 -0.081 0.000 2.314 30 Y HA 0.077 4.627 4.550 -0.000 0.000 0.294 30 Y C 1.266 177.150 175.900 -0.027 0.000 1.119 30 Y CA 0.357 58.399 58.100 -0.097 0.000 1.179 30 Y CB 0.006 38.312 38.460 -0.256 0.000 1.025 30 Y HN -0.024 nan 8.280 nan 0.000 0.541 31 L N 0.311 121.628 121.223 0.156 0.000 2.495 31 L HA 0.428 4.768 4.340 -0.000 0.000 0.248 31 L C 0.827 177.758 176.870 0.101 0.000 1.229 31 L CA -0.350 54.562 54.840 0.119 0.000 0.942 31 L CB -0.341 41.790 42.059 0.120 0.000 1.242 31 L HN 0.098 nan 8.230 nan 0.000 0.484 32 Q N 0.090 119.923 119.800 0.055 0.000 2.226 32 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 32 Q C 2.306 178.315 176.000 0.014 0.000 0.975 32 Q CA 2.102 57.905 55.803 -0.001 0.000 0.866 32 Q CB 0.106 28.825 28.738 -0.031 0.000 0.915 32 Q HN 0.998 nan 8.270 nan 0.000 0.440 33 Q N -0.293 119.537 119.800 0.050 0.000 2.424 33 Q HA 0.073 4.413 4.340 -0.000 0.000 0.204 33 Q C 1.035 177.098 176.000 0.105 0.000 0.933 33 Q CA 0.482 56.322 55.803 0.061 0.000 0.929 33 Q CB -0.317 28.447 28.738 0.044 0.000 1.037 33 Q HN 0.343 nan 8.270 nan 0.000 0.511 34 C N 1.558 120.941 119.300 0.139 0.000 2.656 34 C HA 0.500 4.960 4.460 -0.000 0.000 0.391 34 C C -1.873 173.256 174.990 0.230 0.000 1.300 34 C CA -1.077 58.034 59.018 0.156 0.000 2.302 34 C CB 1.085 28.913 27.740 0.146 0.000 2.655 34 C HN 0.568 nan 8.230 nan 0.000 0.656 35 P HA 0.126 nan 4.420 nan 0.000 0.274 35 P C 0.405 177.675 177.300 -0.052 0.000 1.231 35 P CA -0.322 62.839 63.100 0.101 0.000 0.790 35 P CB 0.261 31.985 31.700 0.041 0.000 0.951 36 F N 2.198 121.841 119.950 -0.513 0.000 2.102 36 F HA -0.208 4.319 4.527 0.000 0.000 0.298 36 F C 2.384 177.949 175.800 -0.393 0.000 1.105 36 F CA 2.563 60.014 58.000 -0.915 0.000 1.239 36 F CB -1.213 37.206 39.000 -0.969 0.000 0.991 36 F HN 0.403 nan 8.300 nan 0.000 0.474 37 E N 0.177 120.137 120.200 -0.399 0.000 2.070 37 E HA -0.284 4.066 4.350 -0.000 0.000 0.197 37 E C 1.917 178.330 176.600 -0.312 0.000 1.004 37 E CA 1.844 58.010 56.400 -0.391 0.000 0.805 37 E CB -1.386 28.214 29.700 -0.167 0.000 0.744 37 E HN 0.524 nan 8.360 nan 0.000 0.451 38 D N -1.175 119.116 120.400 -0.182 0.000 2.218 38 D HA -0.064 4.576 4.640 -0.000 0.000 0.204 38 D C 1.954 178.198 176.300 -0.093 0.000 0.976 38 D CA 1.599 55.539 54.000 -0.100 0.000 0.853 38 D CB -0.391 40.397 40.800 -0.021 0.000 0.939 38 D HN 0.811 nan 8.370 nan 0.000 0.481 39 H N -0.313 118.670 119.070 -0.144 0.000 2.355 39 H HA 0.112 4.668 4.556 -0.000 0.000 0.303 39 H C 2.525 177.719 175.328 -0.224 0.000 1.061 39 H CA 1.277 57.277 56.048 -0.081 0.000 1.368 39 H CB -0.684 29.100 29.762 0.036 0.000 1.412 39 H HN 0.011 nan 8.280 nan 0.000 0.523 40 V N 1.886 121.560 119.914 -0.399 0.000 2.332 40 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 40 V C 2.899 178.834 176.094 -0.266 0.000 1.055 40 V CA 2.781 64.847 62.300 -0.391 0.000 1.038 40 V CB -0.918 30.547 31.823 -0.597 0.000 0.651 40 V HN 0.884 nan 8.190 nan 0.000 0.450 41 K N 0.400 120.659 120.400 -0.234 0.000 2.063 41 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 41 K C 2.023 178.548 176.600 -0.125 0.000 1.048 41 K CA 1.676 57.872 56.287 -0.152 0.000 0.928 41 K CB -1.359 31.070 32.500 -0.120 0.000 0.713 41 K HN 0.585 nan 8.250 nan 0.000 0.442 42 L N 0.893 122.041 121.223 -0.126 0.000 2.141 42 L HA -0.045 4.295 4.340 -0.000 0.000 0.209 42 L C 2.705 179.417 176.870 -0.262 0.000 1.094 42 L CA 0.883 55.659 54.840 -0.106 0.000 0.763 42 L CB -0.569 41.516 42.059 0.042 0.000 0.908 42 L HN 0.110 nan 8.230 nan 0.000 0.437 43 V N -0.157 119.539 119.914 -0.363 0.000 2.270 43 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 43 V C 2.210 178.202 176.094 -0.170 0.000 1.043 43 V CA 1.733 63.793 62.300 -0.400 0.000 1.014 43 V CB -0.648 30.971 31.823 -0.340 0.000 0.645 43 V HN 0.473 nan 8.190 nan 0.000 0.447 44 N N 0.395 119.026 118.700 -0.115 0.000 2.104 44 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 44 N C 1.936 177.442 175.510 -0.007 0.000 1.024 44 N CA 1.793 54.820 53.050 -0.038 0.000 0.853 44 N CB -0.348 38.110 38.487 -0.049 0.000 1.008 44 N HN 0.714 nan 8.380 nan 0.000 0.424 45 E N 1.667 121.848 120.200 -0.032 0.000 2.038 45 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 45 E C 1.887 178.511 176.600 0.042 0.000 1.000 45 E CA 1.305 57.706 56.400 0.002 0.000 0.803 45 E CB -0.738 28.950 29.700 -0.019 0.000 0.750 45 E HN 0.083 nan 8.360 nan 0.000 0.448 46 V N 1.077 120.984 119.914 -0.012 0.000 2.282 46 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 46 V C 2.478 178.691 176.094 0.198 0.000 1.057 46 V CA 2.506 64.820 62.300 0.024 0.000 1.032 46 V CB -1.294 30.457 31.823 -0.120 0.000 0.645 46 V HN 0.439 nan 8.190 nan 0.000 0.447 47 T N -0.244 114.435 114.554 0.207 0.000 2.746 47 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 47 T C 2.169 176.942 174.700 0.120 0.000 1.039 47 T CA 1.756 64.009 62.100 0.255 0.000 1.142 47 T CB -0.485 68.534 68.868 0.251 0.000 0.866 47 T HN 0.767 nan 8.240 nan 0.000 0.444 48 E N 0.797 121.050 120.200 0.088 0.000 2.204 48 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 48 E C 1.637 178.250 176.600 0.022 0.000 0.990 48 E CA 1.025 57.445 56.400 0.033 0.000 0.821 48 E CB -1.050 28.672 29.700 0.036 0.000 0.750 48 E HN 0.687 nan 8.360 nan 0.000 0.477 49 F N 0.458 120.377 119.950 -0.051 0.000 2.416 49 F HA 0.349 4.876 4.527 -0.000 0.000 0.296 49 F C 2.602 178.345 175.800 -0.096 0.000 1.099 49 F CA 1.003 58.968 58.000 -0.059 0.000 1.427 49 F CB -0.031 38.949 39.000 -0.033 0.000 1.079 49 F HN 0.272 nan 8.300 nan 0.000 0.536 50 A N 0.697 123.537 122.820 0.033 0.000 1.877 50 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 50 A C 2.217 179.480 177.584 -0.535 0.000 1.186 50 A CA 1.879 53.818 52.037 -0.164 0.000 0.620 50 A CB -0.618 18.292 19.000 -0.150 0.000 0.822 50 A HN 0.421 nan 8.150 nan 0.000 0.443 51 K N -0.893 119.149 120.400 -0.597 0.000 2.057 51 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 51 K C 2.142 178.483 176.600 -0.432 0.000 1.049 51 K CA 1.743 57.649 56.287 -0.635 0.000 0.931 51 K CB -0.773 31.473 32.500 -0.424 0.000 0.714 51 K HN 0.548 nan 8.250 nan 0.000 0.440 52 T N -0.256 114.070 114.554 -0.379 0.000 3.139 52 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 52 T C 1.877 176.351 174.700 -0.377 0.000 1.164 52 T CA 1.042 62.932 62.100 -0.350 0.000 1.075 52 T CB -0.635 68.009 68.868 -0.372 0.000 0.904 52 T HN 0.198 nan 8.240 nan 0.000 0.540 53 c N -0.860 117.500 118.600 -0.400 0.000 2.563 53 c HA 0.260 4.830 4.570 -0.000 0.000 0.346 53 c C 2.618 176.577 174.090 -0.219 0.000 1.334 53 c CA -0.047 56.102 56.329 -0.300 0.000 1.938 53 c CB -0.319 42.032 42.510 -0.265 0.000 2.445 53 c HN 0.457 nan 8.230 nan 0.000 0.541 54 V N 2.307 122.048 119.914 -0.289 0.000 2.254 54 V HA -0.320 3.800 4.120 -0.000 0.000 0.242 54 V C 2.673 178.676 176.094 -0.150 0.000 1.024 54 V CA 2.843 65.000 62.300 -0.238 0.000 1.009 54 V CB -1.481 30.116 31.823 -0.375 0.000 0.653 54 V HN 0.571 nan 8.190 nan 0.000 0.474 55 A N -0.128 122.599 122.820 -0.156 0.000 1.897 55 A HA 0.020 4.340 4.320 -0.000 0.000 0.215 55 A C 1.558 179.082 177.584 -0.100 0.000 1.181 55 A CA 1.280 53.254 52.037 -0.105 0.000 0.620 55 A CB -1.199 17.743 19.000 -0.097 0.000 0.821 55 A HN 0.747 nan 8.150 nan 0.000 0.443 56 D N 0.633 120.957 120.400 -0.127 0.000 2.455 56 D HA 0.473 5.113 4.640 -0.000 0.000 0.234 56 D C 0.524 176.756 176.300 -0.112 0.000 1.224 56 D CA 0.766 54.697 54.000 -0.116 0.000 0.999 56 D CB -0.895 39.822 40.800 -0.138 0.000 1.072 56 D HN 0.881 nan 8.370 nan 0.000 0.514 57 E N 0.454 120.607 120.200 -0.078 0.000 3.787 57 E HA 0.273 4.623 4.350 -0.000 0.000 0.418 57 E C 1.390 177.956 176.600 -0.056 0.000 1.529 57 E CA 0.302 56.667 56.400 -0.059 0.000 2.366 57 E CB -0.688 28.990 29.700 -0.037 0.000 1.118 57 E HN 1.105 nan 8.360 nan 0.000 0.671 58 S N -0.213 115.469 115.700 -0.030 0.000 3.864 58 S HA 0.132 4.602 4.470 -0.000 0.000 0.350 58 S C 0.295 174.877 174.600 -0.030 0.000 0.583 58 S CA 0.595 58.785 58.200 -0.017 0.000 1.690 58 S CB -1.669 61.528 63.200 -0.005 0.000 1.356 58 S HN 1.314 nan 8.310 nan 0.000 0.468 59 A N 4.443 127.236 122.820 -0.045 0.000 3.944 59 A HA 0.840 5.160 4.320 -0.000 0.000 0.151 59 A C 1.366 178.943 177.584 -0.012 0.000 1.301 59 A CA 0.486 52.486 52.037 -0.062 0.000 1.020 59 A CB -0.953 17.957 19.000 -0.149 0.000 1.627 59 A HN 0.866 nan 8.150 nan 0.000 0.661 60 E N -0.239 119.958 120.200 -0.005 0.000 2.002 60 E HA -0.214 4.136 4.350 -0.000 0.000 0.205 60 E C 0.903 177.591 176.600 0.146 0.000 1.020 60 E CA 2.178 58.629 56.400 0.084 0.000 0.856 60 E CB -0.806 28.985 29.700 0.152 0.000 0.788 60 E HN 0.641 nan 8.360 nan 0.000 0.477 61 N N -1.472 117.405 118.700 0.295 0.000 2.291 61 N HA 0.186 4.926 4.740 -0.000 0.000 0.244 61 N C 0.433 176.146 175.510 0.339 0.000 1.216 61 N CA 0.104 53.329 53.050 0.291 0.000 0.879 61 N CB 0.305 38.941 38.487 0.249 0.000 1.167 61 N HN 0.426 nan 8.380 nan 0.000 0.515 62 c N -0.273 118.466 118.600 0.232 0.000 2.460 62 c HA 0.001 4.571 4.570 -0.000 0.000 0.291 62 c C 2.135 176.311 174.090 0.142 0.000 1.493 62 c CA 1.313 57.741 56.329 0.165 0.000 1.748 62 c CB -1.873 40.633 42.510 -0.007 0.000 1.656 62 c HN 0.679 nan 8.230 nan 0.000 0.576 63 D N 0.677 121.156 120.400 0.132 0.000 2.301 63 D HA 0.218 4.858 4.640 -0.000 0.000 0.206 63 D C 1.363 177.733 176.300 0.118 0.000 0.979 63 D CA 1.138 55.200 54.000 0.104 0.000 0.874 63 D CB -0.079 40.769 40.800 0.079 0.000 0.968 63 D HN 0.666 nan 8.370 nan 0.000 0.510 64 K N 0.576 121.058 120.400 0.137 0.000 2.229 64 K HA 0.495 4.815 4.320 -0.000 0.000 0.250 64 K C 0.897 177.586 176.600 0.147 0.000 1.016 64 K CA 0.316 56.681 56.287 0.130 0.000 0.866 64 K CB -0.157 32.415 32.500 0.120 0.000 1.028 64 K HN 0.857 nan 8.250 nan 0.000 0.514 65 S N -0.590 115.197 115.700 0.145 0.000 2.654 65 S HA 0.483 4.953 4.470 -0.000 0.000 0.283 65 S C 1.418 176.129 174.600 0.186 0.000 1.180 65 S CA -0.536 57.753 58.200 0.149 0.000 1.021 65 S CB 0.978 64.263 63.200 0.143 0.000 1.018 65 S HN 0.519 nan 8.310 nan 0.000 0.532 66 L N 0.600 121.908 121.223 0.141 0.000 1.990 66 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 66 L C 2.757 179.768 176.870 0.234 0.000 1.072 66 L CA 1.667 56.639 54.840 0.220 0.000 0.755 66 L CB -1.098 40.848 42.059 -0.188 0.000 0.889 66 L HN 0.771 nan 8.230 nan 0.000 0.432 67 H N -0.132 119.009 119.070 0.118 0.000 2.319 67 H HA -0.161 4.395 4.556 -0.000 0.000 0.297 67 H C 2.384 177.811 175.328 0.165 0.000 1.097 67 H CA 2.089 58.204 56.048 0.112 0.000 1.285 67 H CB -0.757 29.064 29.762 0.097 0.000 1.368 67 H HN 0.378 nan 8.280 nan 0.000 0.495 68 T N 2.033 116.752 114.554 0.275 0.000 2.595 68 T HA -0.129 4.221 4.350 -0.000 0.000 0.264 68 T C 2.558 177.349 174.700 0.152 0.000 1.058 68 T CA 1.269 63.479 62.100 0.184 0.000 1.166 68 T CB -0.641 68.311 68.868 0.140 0.000 0.863 68 T HN 0.147 nan 8.240 nan 0.000 0.415 69 L N -0.219 121.099 121.223 0.158 0.000 1.971 69 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 69 L C 2.512 179.402 176.870 0.034 0.000 1.072 69 L CA 1.712 56.570 54.840 0.031 0.000 0.758 69 L CB -0.824 41.227 42.059 -0.013 0.000 0.889 69 L HN 0.194 nan 8.230 nan 0.000 0.433 70 F N 0.117 120.071 119.950 0.006 0.000 2.269 70 F HA -0.121 4.406 4.527 -0.000 0.000 0.301 70 F C 2.447 178.135 175.800 -0.187 0.000 1.082 70 F CA 1.222 59.193 58.000 -0.049 0.000 1.360 70 F CB -1.294 37.663 39.000 -0.072 0.000 1.041 70 F HN 0.039 nan 8.300 nan 0.000 0.512 71 G N -0.246 108.606 108.800 0.087 0.000 2.404 71 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.215 71 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.215 71 G C 1.420 176.330 174.900 0.017 0.000 1.174 71 G CA 0.952 46.047 45.100 -0.009 0.000 0.780 71 G HN 0.260 nan 8.290 nan 0.000 0.537 72 D N 0.942 121.360 120.400 0.030 0.000 2.144 72 D HA -0.062 4.578 4.640 -0.000 0.000 0.200 72 D C 2.385 178.685 176.300 -0.000 0.000 0.978 72 D CA 0.838 54.848 54.000 0.018 0.000 0.833 72 D CB -0.097 40.700 40.800 -0.004 0.000 0.961 72 D HN 0.319 nan 8.370 nan 0.000 0.470 73 K N 0.667 121.057 120.400 -0.017 0.000 2.002 73 K HA -0.069 4.251 4.320 -0.000 0.000 0.209 73 K C 2.445 179.069 176.600 0.039 0.000 1.048 73 K CA 0.682 56.980 56.287 0.019 0.000 0.930 73 K CB -0.222 32.327 32.500 0.082 0.000 0.714 73 K HN 0.100 nan 8.250 nan 0.000 0.438 74 L N 0.691 121.892 121.223 -0.037 0.000 2.046 74 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 74 L C 2.294 179.179 176.870 0.026 0.000 1.077 74 L CA 0.782 55.590 54.840 -0.054 0.000 0.747 74 L CB -0.517 41.387 42.059 -0.258 0.000 0.896 74 L HN 0.304 nan 8.230 nan 0.000 0.432 75 c N 0.062 118.690 118.600 0.046 0.000 2.479 75 c HA -0.039 4.531 4.570 -0.000 0.000 0.292 75 c C 1.795 175.914 174.090 0.049 0.000 1.497 75 c CA 0.505 56.880 56.329 0.077 0.000 1.714 75 c CB -2.117 40.448 42.510 0.091 0.000 1.610 75 c HN 0.567 nan 8.230 nan 0.000 0.589 90 c N 1.736 120.173 118.600 -0.271 0.000 2.398 90 c HA -0.165 4.405 4.570 -0.000 0.000 0.276 90 c C 2.982 176.852 174.090 -0.366 0.000 1.222 90 c CA 1.131 57.172 56.329 -0.479 0.000 1.746 90 c CB -0.979 40.981 42.510 -0.915 0.000 2.039 90 c HN 0.577 nan 8.230 nan 0.000 0.470 91 c N 0.745 119.227 118.600 -0.196 0.000 2.435 91 c HA -0.003 4.567 4.570 -0.000 0.000 0.279 91 c C 3.001 177.063 174.090 -0.047 0.000 1.321 91 c CA 0.909 57.209 56.329 -0.048 0.000 1.752 91 c CB -1.589 40.938 42.510 0.027 0.000 1.959 91 c HN 0.714 nan 8.230 nan 0.000 0.500 92 A N 0.553 123.333 122.820 -0.067 0.000 2.186 92 A HA 0.159 4.478 4.320 -0.000 0.000 0.219 92 A C 1.302 178.854 177.584 -0.053 0.000 1.159 92 A CA 1.995 54.002 52.037 -0.050 0.000 0.680 92 A CB -0.594 18.374 19.000 -0.054 0.000 0.787 92 A HN 0.671 nan 8.150 nan 0.000 0.467 93 K N -1.911 118.442 120.400 -0.078 0.000 2.267 93 K HA 0.727 5.047 4.320 -0.000 0.000 0.236 93 K C -0.178 176.399 176.600 -0.039 0.000 1.030 93 K CA 0.162 56.406 56.287 -0.071 0.000 0.930 93 K CB -0.084 32.347 32.500 -0.114 0.000 1.182 93 K HN 1.108 nan 8.250 nan 0.000 0.474 94 Q N 1.070 120.854 119.800 -0.026 0.000 2.413 94 Q HA 0.550 4.890 4.340 -0.000 0.000 0.276 94 Q C -0.441 175.563 176.000 0.006 0.000 1.099 94 Q CA -0.837 54.969 55.803 0.005 0.000 0.814 94 Q CB 0.699 29.442 28.738 0.009 0.000 1.379 94 Q HN 0.703 nan 8.270 nan 0.000 0.436 95 E N 2.406 122.627 120.200 0.036 0.000 2.481 95 E HA 0.032 4.382 4.350 -0.000 0.000 0.263 95 E C -1.269 175.338 176.600 0.012 0.000 0.992 95 E CA -1.059 55.360 56.400 0.032 0.000 0.938 95 E CB 0.870 30.612 29.700 0.072 0.000 0.933 95 E HN 0.680 nan 8.360 nan 0.000 0.453 96 P HA -0.002 nan 4.420 nan 0.000 0.245 96 P C 0.966 178.237 177.300 -0.048 0.000 1.206 96 P CA 0.771 63.850 63.100 -0.034 0.000 0.781 96 P CB 0.342 32.022 31.700 -0.032 0.000 0.994 97 E N 1.366 121.538 120.200 -0.047 0.000 2.070 97 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 97 E C 2.426 178.951 176.600 -0.125 0.000 1.004 97 E CA 2.498 58.852 56.400 -0.077 0.000 0.805 97 E CB -1.580 28.079 29.700 -0.068 0.000 0.744 97 E HN 0.392 nan 8.360 nan 0.000 0.451 98 R N 1.144 121.586 120.500 -0.097 0.000 2.080 98 R HA -0.168 4.172 4.340 -0.000 0.000 0.236 98 R C 2.250 178.464 176.300 -0.144 0.000 1.137 98 R CA 2.152 58.163 56.100 -0.149 0.000 0.943 98 R CB -1.786 28.532 30.300 0.030 0.000 0.846 98 R HN 0.777 nan 8.270 nan 0.000 0.431 99 N N -0.064 118.684 118.700 0.080 0.000 2.004 99 N HA -0.202 4.538 4.740 -0.000 0.000 0.196 99 N C 1.821 177.326 175.510 -0.009 0.000 1.064 99 N CA 1.710 54.859 53.050 0.165 0.000 0.855 99 N CB -0.205 38.235 38.487 -0.078 0.000 1.056 99 N HN 0.667 nan 8.380 nan 0.000 0.423 100 E N 0.120 120.248 120.200 -0.121 0.000 2.396 100 E HA -0.196 4.154 4.350 -0.000 0.000 0.200 100 E C 2.043 178.533 176.600 -0.183 0.000 1.023 100 E CA 0.337 56.640 56.400 -0.163 0.000 0.857 100 E CB -0.197 29.432 29.700 -0.118 0.000 0.775 100 E HN 0.467 nan 8.360 nan 0.000 0.525 101 c N -0.084 118.359 118.600 -0.263 0.000 2.453 101 c HA -0.148 4.422 4.570 -0.000 0.000 0.277 101 c C 2.301 176.155 174.090 -0.394 0.000 1.262 101 c CA 0.530 56.642 56.329 -0.362 0.000 1.718 101 c CB -1.043 41.152 42.510 -0.525 0.000 2.031 101 c HN 0.370 nan 8.230 nan 0.000 0.480 102 F N 1.362 121.116 119.950 -0.326 0.000 2.102 102 F HA -0.034 4.493 4.527 -0.000 0.000 0.298 102 F C 2.290 177.865 175.800 -0.375 0.000 1.105 102 F CA 1.516 59.247 58.000 -0.449 0.000 1.239 102 F CB -0.951 37.503 39.000 -0.909 0.000 0.991 102 F HN 0.152 nan 8.300 nan 0.000 0.474 103 L N -0.058 121.069 121.223 -0.160 0.000 2.013 103 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 103 L C 2.839 179.688 176.870 -0.035 0.000 1.073 103 L CA 1.856 56.646 54.840 -0.083 0.000 0.753 103 L CB -1.533 40.440 42.059 -0.144 0.000 0.890 103 L HN 0.361 nan 8.230 nan 0.000 0.432 104 Q N -0.736 119.024 119.800 -0.066 0.000 2.515 104 Q HA -0.088 4.252 4.340 -0.000 0.000 0.212 104 Q C 1.654 177.634 176.000 -0.033 0.000 0.970 104 Q CA 1.335 57.116 55.803 -0.037 0.000 0.941 104 Q CB -1.638 27.062 28.738 -0.065 0.000 0.998 104 Q HN 0.851 nan 8.270 nan 0.000 0.518 105 H N -0.560 118.486 119.070 -0.040 0.000 2.705 105 H HA 0.410 4.966 4.556 -0.000 0.000 0.269 105 H C 0.919 176.252 175.328 0.009 0.000 0.998 105 H CA 0.161 56.191 56.048 -0.030 0.000 1.193 105 H CB 0.232 29.957 29.762 -0.060 0.000 1.485 105 H HN 0.481 nan 8.280 nan 0.000 0.521 106 K N 1.371 121.787 120.400 0.027 0.000 2.485 106 K HA 0.166 4.486 4.320 -0.000 0.000 0.277 106 K C -1.097 175.547 176.600 0.074 0.000 0.990 106 K CA 0.394 56.700 56.287 0.033 0.000 0.994 106 K CB 0.633 33.105 32.500 -0.046 0.000 0.906 106 K HN 0.572 nan 8.250 nan 0.000 0.488 107 D N 1.364 121.798 120.400 0.056 0.000 2.308 107 D HA 0.081 4.721 4.640 -0.000 0.000 0.242 107 D C 0.061 176.410 176.300 0.081 0.000 1.059 107 D CA -0.418 53.615 54.000 0.056 0.000 0.830 107 D CB 1.072 41.883 40.800 0.018 0.000 1.161 107 D HN 0.357 nan 8.370 nan 0.000 0.494 108 D N 2.430 122.890 120.400 0.100 0.000 2.289 108 D HA -0.078 4.562 4.640 -0.000 0.000 0.207 108 D C 0.128 176.443 176.300 0.025 0.000 0.966 108 D CA 0.592 54.652 54.000 0.101 0.000 0.868 108 D CB 0.229 41.076 40.800 0.077 0.000 0.943 108 D HN 0.310 nan 8.370 nan 0.000 0.514 109 N N 0.922 119.625 118.700 0.005 0.000 2.765 109 N HA 0.127 4.867 4.740 -0.000 0.000 0.277 109 N C -2.715 172.779 175.510 -0.027 0.000 1.750 109 N CA -1.438 51.600 53.050 -0.020 0.000 0.827 109 N CB 1.029 39.509 38.487 -0.012 0.000 1.200 109 N HN -0.151 nan 8.380 nan 0.000 0.494 110 P HA 0.166 nan 4.420 nan 0.000 0.271 110 P C -0.358 176.918 177.300 -0.040 0.000 1.218 110 P CA 0.071 63.147 63.100 -0.040 0.000 0.780 110 P CB 0.452 32.118 31.700 -0.057 0.000 0.901 111 N N 4.030 122.714 118.700 -0.026 0.000 3.124 111 N HA 0.257 4.997 4.740 -0.000 0.000 0.284 111 N C -0.142 175.355 175.510 -0.021 0.000 1.209 111 N CA -0.420 52.618 53.050 -0.020 0.000 1.149 111 N CB -0.425 38.056 38.487 -0.011 0.000 1.434 111 N HN 0.214 nan 8.380 nan 0.000 0.529 112 L N 0.025 121.228 121.223 -0.033 0.000 2.322 112 L HA 0.686 5.026 4.340 -0.000 0.000 0.269 112 L C -1.881 174.974 176.870 -0.025 0.000 1.012 112 L CA -2.672 52.150 54.840 -0.031 0.000 0.815 112 L CB 0.793 42.818 42.059 -0.056 0.000 1.295 112 L HN 0.266 nan 8.230 nan 0.000 0.438 113 P HA 0.278 nan 4.420 nan 0.000 0.264 113 P C 0.062 177.354 177.300 -0.014 0.000 1.193 113 P CA -0.113 62.983 63.100 -0.006 0.000 0.763 113 P CB 0.286 31.989 31.700 0.005 0.000 0.810 114 R N 3.033 123.527 120.500 -0.009 0.000 2.697 114 R HA 0.066 4.406 4.340 -0.000 0.000 0.265 114 R C 0.138 176.435 176.300 -0.005 0.000 1.009 114 R CA 0.146 56.240 56.100 -0.009 0.000 1.099 114 R CB -0.882 29.419 30.300 0.002 0.000 0.965 114 R HN 0.590 nan 8.270 nan 0.000 0.428 115 L N 2.627 123.846 121.223 -0.007 0.000 2.295 115 L HA 0.314 4.654 4.340 -0.000 0.000 0.288 115 L C -0.464 176.420 176.870 0.023 0.000 1.079 115 L CA -0.709 54.131 54.840 0.000 0.000 0.830 115 L CB 1.367 43.417 42.059 -0.015 0.000 1.200 115 L HN 0.454 nan 8.230 nan 0.000 0.438 116 V N 2.803 122.735 119.914 0.031 0.000 2.439 116 V HA 0.449 4.569 4.120 -0.000 0.000 0.282 116 V C 0.802 176.933 176.094 0.062 0.000 1.039 116 V CA -0.541 61.785 62.300 0.043 0.000 0.913 116 V CB 1.287 33.133 31.823 0.038 0.000 0.983 116 V HN 0.818 nan 8.190 nan 0.000 0.460 117 R N 5.016 125.561 120.500 0.074 0.000 2.235 117 R HA 0.600 4.940 4.340 -0.000 0.000 0.338 117 R C -2.121 174.236 176.300 0.095 0.000 1.087 117 R CA -1.346 54.816 56.100 0.104 0.000 0.948 117 R CB -0.909 29.458 30.300 0.111 0.000 1.099 117 R HN 0.728 nan 8.270 nan 0.000 0.483 118 P HA 0.226 nan 4.420 nan 0.000 0.281 118 P C 0.449 177.803 177.300 0.090 0.000 1.274 118 P CA 0.158 63.312 63.100 0.091 0.000 0.794 118 P CB 0.367 32.127 31.700 0.101 0.000 1.201 119 E N -0.500 119.744 120.200 0.075 0.000 2.398 119 E HA 0.080 4.430 4.350 -0.000 0.000 0.263 119 E C 1.351 177.997 176.600 0.078 0.000 1.046 119 E CA -0.148 56.290 56.400 0.062 0.000 0.908 119 E CB -0.481 29.247 29.700 0.048 0.000 0.963 119 E HN 0.261 nan 8.360 nan 0.000 0.431 120 V N 2.014 121.961 119.914 0.054 0.000 2.439 120 V HA -0.277 3.843 4.120 -0.000 0.000 0.253 120 V C 2.634 178.771 176.094 0.071 0.000 1.074 120 V CA 3.006 65.336 62.300 0.050 0.000 1.076 120 V CB -1.341 30.482 31.823 0.000 0.000 0.664 120 V HN 0.956 nan 8.190 nan 0.000 0.461 121 D N -0.506 119.928 120.400 0.058 0.000 2.103 121 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 121 D C 2.145 178.490 176.300 0.075 0.000 0.978 121 D CA 1.596 55.630 54.000 0.056 0.000 0.829 121 D CB -0.482 40.342 40.800 0.039 0.000 0.981 121 D HN 0.265 nan 8.370 nan 0.000 0.464 122 V N 0.839 120.803 119.914 0.082 0.000 2.252 122 V HA -0.365 3.755 4.120 -0.000 0.000 0.249 122 V C 2.888 179.057 176.094 0.125 0.000 1.056 122 V CA 2.399 64.754 62.300 0.092 0.000 1.022 122 V CB -0.744 31.136 31.823 0.094 0.000 0.641 122 V HN 0.533 nan 8.190 nan 0.000 0.445 123 M N -0.790 118.920 119.600 0.184 0.000 2.065 123 M HA -0.224 4.256 4.480 -0.000 0.000 0.259 123 M C 2.449 178.832 176.300 0.138 0.000 1.071 123 M CA 2.261 57.723 55.300 0.271 0.000 1.109 123 M CB -1.026 31.870 32.600 0.494 0.000 1.313 123 M HN 0.385 nan 8.290 nan 0.000 0.408 124 c N 0.289 118.999 118.600 0.184 0.000 2.401 124 c HA -0.158 4.412 4.570 -0.000 0.000 0.276 124 c C 2.971 177.101 174.090 0.068 0.000 1.233 124 c CA 1.570 57.989 56.329 0.149 0.000 1.753 124 c CB -1.197 41.389 42.510 0.127 0.000 2.029 124 c HN 0.597 nan 8.230 nan 0.000 0.478 125 T N 0.927 115.510 114.554 0.048 0.000 2.708 125 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 125 T C 2.110 176.799 174.700 -0.018 0.000 1.037 125 T CA 1.715 63.825 62.100 0.016 0.000 1.146 125 T CB -0.433 68.452 68.868 0.029 0.000 0.865 125 T HN 0.648 nan 8.240 nan 0.000 0.435 126 A N 0.881 123.702 122.820 0.001 0.000 1.972 126 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 126 A C 1.995 179.492 177.584 -0.145 0.000 1.169 126 A CA 1.259 53.303 52.037 0.013 0.000 0.635 126 A CB -0.895 18.197 19.000 0.154 0.000 0.810 126 A HN 0.497 nan 8.150 nan 0.000 0.446 127 F N 0.827 120.401 119.950 -0.627 0.000 2.186 127 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 127 F C 2.576 178.114 175.800 -0.437 0.000 1.090 127 F CA 2.078 59.454 58.000 -1.039 0.000 1.307 127 F CB -0.912 37.304 39.000 -1.308 0.000 1.019 127 F HN 0.464 nan 8.300 nan 0.000 0.489 128 H N -1.122 117.733 119.070 -0.359 0.000 2.403 128 H HA -0.022 4.534 4.556 -0.000 0.000 0.298 128 H C 1.858 177.042 175.328 -0.239 0.000 1.059 128 H CA 1.416 57.269 56.048 -0.325 0.000 1.363 128 H CB -1.048 28.635 29.762 -0.131 0.000 1.410 128 H HN 0.241 nan 8.280 nan 0.000 0.528 129 D N 0.420 120.729 120.400 -0.153 0.000 2.092 129 D HA -0.085 4.555 4.640 -0.000 0.000 0.193 129 D C 0.259 176.499 176.300 -0.101 0.000 0.994 129 D CA 1.571 55.515 54.000 -0.094 0.000 0.828 129 D CB -0.033 40.742 40.800 -0.043 0.000 0.963 129 D HN 0.544 nan 8.370 nan 0.000 0.450 130 N N -0.018 118.620 118.700 -0.103 0.000 2.685 130 N HA -0.011 4.729 4.740 -0.000 0.000 0.252 130 N C 0.090 175.563 175.510 -0.062 0.000 1.261 130 N CA -0.045 52.965 53.050 -0.066 0.000 0.768 130 N CB 0.871 39.363 38.487 0.009 0.000 1.304 130 N HN 0.103 nan 8.380 nan 0.000 0.536 131 E N 0.904 120.974 120.200 -0.216 0.000 2.427 131 E HA -0.057 4.293 4.350 -0.000 0.000 0.196 131 E C 0.267 176.905 176.600 0.063 0.000 1.028 131 E CA 0.802 57.073 56.400 -0.215 0.000 0.864 131 E CB 0.224 29.474 29.700 -0.749 0.000 0.813 131 E HN 0.366 nan 8.360 nan 0.000 0.514 132 E N 1.163 121.382 120.200 0.032 0.000 2.072 132 E HA -0.097 4.253 4.350 -0.000 0.000 0.190 132 E C 1.871 178.551 176.600 0.133 0.000 0.982 132 E CA 1.462 57.906 56.400 0.074 0.000 0.803 132 E CB -0.459 29.264 29.700 0.037 0.000 0.755 132 E HN 0.250 nan 8.360 nan 0.000 0.453 133 T N 1.161 115.804 114.554 0.148 0.000 3.067 133 T HA -0.002 4.348 4.350 -0.000 0.000 0.261 133 T C 1.357 176.161 174.700 0.173 0.000 1.110 133 T CA 0.168 62.394 62.100 0.211 0.000 1.113 133 T CB -0.260 68.736 68.868 0.213 0.000 0.917 133 T HN 0.090 nan 8.240 nan 0.000 0.499 134 F N 1.865 121.834 119.950 0.032 0.000 2.113 134 F HA 0.051 4.578 4.527 -0.000 0.000 0.297 134 F C 1.776 177.602 175.800 0.042 0.000 1.103 134 F CA 1.194 59.206 58.000 0.019 0.000 1.248 134 F CB -0.324 38.711 39.000 0.058 0.000 0.999 134 F HN 0.034 nan 8.300 nan 0.000 0.475 135 L N 0.293 121.619 121.223 0.171 0.000 2.109 135 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 135 L C 2.851 179.747 176.870 0.044 0.000 1.086 135 L CA 1.432 56.324 54.840 0.085 0.000 0.760 135 L CB -1.252 40.924 42.059 0.195 0.000 0.910 135 L HN 0.171 nan 8.230 nan 0.000 0.437 136 K N 0.962 121.415 120.400 0.088 0.000 2.103 136 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 136 K C 2.370 178.971 176.600 0.002 0.000 1.048 136 K CA 2.016 58.389 56.287 0.143 0.000 0.930 136 K CB -1.271 31.411 32.500 0.303 0.000 0.716 136 K HN 0.429 nan 8.250 nan 0.000 0.444 137 K N -0.125 120.093 120.400 -0.304 0.000 2.097 137 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 137 K C 2.105 178.496 176.600 -0.348 0.000 1.050 137 K CA 1.598 57.482 56.287 -0.671 0.000 0.938 137 K CB -1.057 31.016 32.500 -0.711 0.000 0.718 137 K HN 0.691 nan 8.250 nan 0.000 0.442 138 Y N 1.283 121.315 120.300 -0.446 0.000 2.070 138 Y HA -0.156 4.394 4.550 -0.000 0.000 0.280 138 Y C 2.088 177.789 175.900 -0.330 0.000 1.148 138 Y CA 2.013 59.817 58.100 -0.493 0.000 1.125 138 Y CB -0.314 37.739 38.460 -0.678 0.000 0.975 138 Y HN 0.123 nan 8.280 nan 0.000 0.492 139 L N -0.904 120.190 121.223 -0.215 0.000 2.013 139 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 139 L C 2.463 179.208 176.870 -0.208 0.000 1.073 139 L CA 2.043 56.743 54.840 -0.233 0.000 0.753 139 L CB -1.171 40.872 42.059 -0.027 0.000 0.890 139 L HN 0.397 nan 8.230 nan 0.000 0.432 140 Y N 1.196 121.383 120.300 -0.189 0.000 2.081 140 Y HA -0.290 4.260 4.550 -0.000 0.000 0.280 140 Y C 2.640 178.429 175.900 -0.184 0.000 1.163 140 Y CA 1.831 59.866 58.100 -0.108 0.000 1.135 140 Y CB -0.213 38.246 38.460 -0.001 0.000 0.970 140 Y HN 0.122 nan 8.280 nan 0.000 0.498 141 E N 0.215 120.191 120.200 -0.373 0.000 2.118 141 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 141 E C 2.259 178.597 176.600 -0.436 0.000 0.992 141 E CA 1.346 57.478 56.400 -0.447 0.000 0.804 141 E CB -0.197 29.326 29.700 -0.296 0.000 0.741 141 E HN 0.537 nan 8.360 nan 0.000 0.458 142 I N 0.647 120.914 120.570 -0.505 0.000 2.277 142 I HA -0.096 4.074 4.170 -0.000 0.000 0.243 142 I C 2.420 178.381 176.117 -0.260 0.000 1.094 142 I CA 0.831 61.871 61.300 -0.432 0.000 1.393 142 I CB -1.465 36.075 38.000 -0.767 0.000 1.078 142 I HN -0.072 nan 8.210 nan 0.000 0.417 143 A N 2.044 124.685 122.820 -0.298 0.000 1.940 143 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 143 A C 2.369 179.865 177.584 -0.146 0.000 1.176 143 A CA 1.960 53.895 52.037 -0.170 0.000 0.631 143 A CB -0.675 18.239 19.000 -0.143 0.000 0.814 143 A HN 0.577 nan 8.150 nan 0.000 0.446 144 R N -1.149 119.193 120.500 -0.263 0.000 2.193 144 R HA 0.101 4.441 4.340 -0.000 0.000 0.213 144 R C 1.764 177.943 176.300 -0.200 0.000 1.055 144 R CA 0.999 56.956 56.100 -0.238 0.000 0.995 144 R CB -0.213 29.863 30.300 -0.374 0.000 0.893 144 R HN 0.385 nan 8.270 nan 0.000 0.459 145 R N -0.128 120.227 120.500 -0.241 0.000 2.280 145 R HA 0.126 4.466 4.340 -0.000 0.000 0.195 145 R C -0.045 175.967 176.300 -0.480 0.000 0.935 145 R CA 0.323 56.221 56.100 -0.336 0.000 1.033 145 R CB 0.406 30.471 30.300 -0.391 0.000 0.964 145 R HN 0.327 nan 8.270 nan 0.000 0.489 146 H N 0.257 119.326 119.070 -0.003 0.000 2.429 146 H HA 0.144 4.699 4.556 -0.000 0.000 0.231 146 H C -2.006 173.387 175.328 0.108 0.000 1.416 146 H CA -1.781 54.334 56.048 0.112 0.000 1.443 146 H CB 1.368 31.271 29.762 0.235 0.000 1.591 146 H HN 0.006 nan 8.280 nan 0.000 0.507 147 P HA -0.151 nan 4.420 nan 0.000 0.229 147 P C 0.264 177.420 177.300 -0.241 0.000 1.150 147 P CA 1.190 64.234 63.100 -0.093 0.000 0.765 147 P CB 0.077 31.667 31.700 -0.183 0.000 0.783 148 Y N -2.869 117.523 120.300 0.154 0.000 2.557 148 Y HA 0.297 4.847 4.550 0.000 0.000 0.247 148 Y C 0.986 176.994 175.900 0.181 0.000 1.164 148 Y CA -1.079 57.103 58.100 0.136 0.000 1.218 148 Y CB -0.373 38.135 38.460 0.079 0.000 1.210 148 Y HN -0.230 nan 8.280 nan 0.000 0.529 149 F N 1.078 121.147 119.950 0.199 0.000 2.629 149 F HA -0.081 4.446 4.527 -0.000 0.000 0.377 149 F C 0.364 176.308 175.800 0.241 0.000 1.101 149 F CA -0.663 57.441 58.000 0.174 0.000 1.301 149 F CB 0.237 39.290 39.000 0.088 0.000 1.062 149 F HN 0.096 nan 8.300 nan 0.000 0.583 150 Y N 7.525 127.958 120.300 0.223 0.000 2.644 150 Y HA 0.301 4.851 4.550 -0.000 0.000 0.354 150 Y C 1.046 177.184 175.900 0.397 0.000 1.166 150 Y CA -0.704 57.552 58.100 0.260 0.000 1.591 150 Y CB -0.203 38.351 38.460 0.158 0.000 1.346 150 Y HN 0.773 nan 8.280 nan 0.000 0.497 151 A N 7.368 130.335 122.820 0.245 0.000 1.887 151 A HA -0.310 4.010 4.320 -0.000 0.000 0.225 151 A C -0.244 177.326 177.584 -0.023 0.000 1.464 151 A CA 2.484 54.568 52.037 0.078 0.000 0.717 151 A CB -2.013 16.987 19.000 -0.001 0.000 0.848 151 A HN 0.648 nan 8.150 nan 0.000 0.477 152 P HA -0.188 nan 4.420 nan 0.000 0.216 152 P C 1.339 178.615 177.300 -0.041 0.000 1.157 152 P CA 1.668 64.647 63.100 -0.202 0.000 0.880 152 P CB -0.113 31.349 31.700 -0.395 0.000 0.791 153 E N -1.075 119.113 120.200 -0.019 0.000 2.204 153 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 153 E C 1.839 178.772 176.600 0.554 0.000 0.989 153 E CA 0.709 57.290 56.400 0.302 0.000 0.824 153 E CB -0.791 29.219 29.700 0.517 0.000 0.756 153 E HN 0.179 nan 8.360 nan 0.000 0.477 154 L N 0.551 122.087 121.223 0.521 0.000 2.217 154 L HA -0.069 4.271 4.340 -0.000 0.000 0.211 154 L C 2.046 179.073 176.870 0.262 0.000 1.107 154 L CA 1.107 56.160 54.840 0.355 0.000 0.783 154 L CB -0.309 41.717 42.059 -0.055 0.000 0.919 154 L HN 0.060 nan 8.230 nan 0.000 0.442 155 L N -2.013 119.322 121.223 0.188 0.000 2.109 155 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 155 L C 2.396 179.352 176.870 0.143 0.000 1.086 155 L CA 1.129 56.047 54.840 0.131 0.000 0.760 155 L CB -0.681 41.429 42.059 0.084 0.000 0.910 155 L HN 0.295 nan 8.230 nan 0.000 0.437 156 F N 0.453 120.407 119.950 0.005 0.000 2.186 156 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 156 F C 2.091 177.824 175.800 -0.113 0.000 1.090 156 F CA 1.280 59.218 58.000 -0.104 0.000 1.307 156 F CB -0.276 38.593 39.000 -0.218 0.000 1.019 156 F HN -0.127 nan 8.300 nan 0.000 0.489 157 F N 0.566 120.522 119.950 0.011 0.000 2.186 157 F HA -0.043 4.484 4.527 -0.000 0.000 0.299 157 F C 2.611 178.332 175.800 -0.132 0.000 1.090 157 F CA 1.210 59.173 58.000 -0.063 0.000 1.307 157 F CB -1.398 37.700 39.000 0.162 0.000 1.019 157 F HN 0.069 nan 8.300 nan 0.000 0.489 158 A N 0.481 123.376 122.820 0.125 0.000 1.883 158 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 158 A C 2.405 179.964 177.584 -0.041 0.000 1.186 158 A CA 2.818 54.845 52.037 -0.016 0.000 0.624 158 A CB -1.325 17.730 19.000 0.091 0.000 0.822 158 A HN 0.310 nan 8.150 nan 0.000 0.444 159 K N 0.032 120.389 120.400 -0.071 0.000 2.032 159 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 159 K C 2.166 178.677 176.600 -0.148 0.000 1.048 159 K CA 1.718 57.949 56.287 -0.093 0.000 0.927 159 K CB -0.765 31.662 32.500 -0.122 0.000 0.712 159 K HN 0.640 nan 8.250 nan 0.000 0.441 160 R N -1.728 118.591 120.500 -0.302 0.000 2.096 160 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 160 R C 2.317 178.551 176.300 -0.110 0.000 1.127 160 R CA 1.545 57.488 56.100 -0.262 0.000 0.968 160 R CB -0.514 29.557 30.300 -0.381 0.000 0.861 160 R HN 0.664 nan 8.270 nan 0.000 0.440 161 Y N 1.847 122.023 120.300 -0.207 0.000 2.165 161 Y HA -0.304 4.246 4.550 -0.000 0.000 0.286 161 Y C 2.746 178.632 175.900 -0.023 0.000 1.155 161 Y CA 1.898 59.890 58.100 -0.181 0.000 1.164 161 Y CB -0.140 38.010 38.460 -0.517 0.000 0.978 161 Y HN -0.209 nan 8.280 nan 0.000 0.513 162 K N 0.133 120.598 120.400 0.108 0.000 2.026 162 K HA -0.071 4.249 4.320 -0.000 0.000 0.208 162 K C 2.261 178.861 176.600 0.000 0.000 1.048 162 K CA 1.057 57.418 56.287 0.124 0.000 0.929 162 K CB -1.079 31.527 32.500 0.177 0.000 0.713 162 K HN 0.520 nan 8.250 nan 0.000 0.439 163 A N 0.017 122.818 122.820 -0.033 0.000 2.178 163 A HA 0.151 4.471 4.320 -0.000 0.000 0.218 163 A C 2.268 179.771 177.584 -0.136 0.000 1.157 163 A CA 1.749 53.749 52.037 -0.061 0.000 0.689 163 A CB -0.730 18.230 19.000 -0.066 0.000 0.787 163 A HN 0.587 nan 8.150 nan 0.000 0.465 164 A N -0.810 121.880 122.820 -0.217 0.000 1.855 164 A HA 0.165 4.485 4.320 -0.000 0.000 0.213 164 A C 1.836 179.132 177.584 -0.479 0.000 1.195 164 A CA 1.183 53.003 52.037 -0.362 0.000 0.610 164 A CB -0.659 18.035 19.000 -0.510 0.000 0.837 164 A HN 0.424 nan 8.150 nan 0.000 0.444 165 F N 0.835 120.435 119.950 -0.582 0.000 2.186 165 F HA -0.124 4.403 4.527 0.000 0.000 0.299 165 F C 2.771 178.266 175.800 -0.508 0.000 1.090 165 F CA 1.800 59.349 58.000 -0.751 0.000 1.307 165 F CB -0.853 37.197 39.000 -1.582 0.000 1.019 165 F HN 0.126 nan 8.300 nan 0.000 0.489 166 T N -0.426 114.021 114.554 -0.178 0.000 2.684 166 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 166 T C 1.899 176.592 174.700 -0.012 0.000 1.036 166 T CA 1.651 63.779 62.100 0.047 0.000 1.148 166 T CB -0.225 68.697 68.868 0.089 0.000 0.863 166 T HN 0.265 nan 8.240 nan 0.000 0.436 167 E N 0.136 120.290 120.200 -0.077 0.000 2.015 167 E HA -0.098 4.251 4.350 -0.000 0.000 0.191 167 E C 2.608 179.152 176.600 -0.094 0.000 0.991 167 E CA 1.213 57.567 56.400 -0.078 0.000 0.802 167 E CB -0.322 29.319 29.700 -0.097 0.000 0.759 167 E HN 0.470 nan 8.360 nan 0.000 0.447 168 c N 0.456 118.961 118.600 -0.159 0.000 2.450 168 c HA -0.059 4.511 4.570 -0.000 0.000 0.279 168 c C 2.646 176.669 174.090 -0.111 0.000 1.335 168 c CA -0.098 56.135 56.329 -0.160 0.000 1.749 168 c CB -0.762 41.594 42.510 -0.255 0.000 1.963 168 c HN 0.500 nan 8.230 nan 0.000 0.501 169 c N 0.908 119.456 118.600 -0.087 0.000 2.514 169 c HA 0.147 4.717 4.570 -0.000 0.000 0.289 169 c C 1.944 176.042 174.090 0.013 0.000 1.458 169 c CA 1.408 57.733 56.329 -0.006 0.000 1.669 169 c CB -2.392 40.169 42.510 0.085 0.000 1.613 169 c HN 0.806 nan 8.230 nan 0.000 0.594 170 Q N -0.939 118.857 119.800 -0.007 0.000 2.141 170 Q HA 0.698 5.038 4.340 -0.000 0.000 0.295 170 Q C -0.281 175.710 176.000 -0.015 0.000 0.870 170 Q CA 0.556 56.358 55.803 -0.001 0.000 1.096 170 Q CB 0.261 29.005 28.738 0.009 0.000 1.288 170 Q HN 0.606 nan 8.270 nan 0.000 0.418 171 A N -0.392 122.413 122.820 -0.025 0.000 2.374 171 A HA 0.925 5.244 4.320 -0.000 0.000 0.317 171 A C 1.418 178.988 177.584 -0.024 0.000 1.094 171 A CA 0.091 52.111 52.037 -0.029 0.000 0.765 171 A CB 1.012 19.986 19.000 -0.044 0.000 1.268 171 A HN 1.253 nan 8.150 nan 0.000 0.438 172 A N 0.796 123.604 122.820 -0.020 0.000 1.896 172 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 172 A C 0.947 178.519 177.584 -0.019 0.000 1.206 172 A CA 2.420 54.447 52.037 -0.016 0.000 0.647 172 A CB -0.292 18.699 19.000 -0.015 0.000 0.828 172 A HN 0.736 nan 8.150 nan 0.000 0.455 173 D N -1.478 118.907 120.400 -0.025 0.000 2.483 173 D HA 0.488 5.128 4.640 -0.000 0.000 0.281 173 D C 1.207 177.483 176.300 -0.041 0.000 1.174 173 D CA 0.587 54.570 54.000 -0.028 0.000 0.938 173 D CB 0.608 41.393 40.800 -0.026 0.000 1.002 173 D HN 0.266 nan 8.370 nan 0.000 0.501 174 K N 1.593 121.968 120.400 -0.042 0.000 2.113 174 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 174 K C 1.914 178.466 176.600 -0.080 0.000 1.047 174 K CA 1.787 58.036 56.287 -0.063 0.000 0.928 174 K CB -0.780 31.692 32.500 -0.048 0.000 0.716 174 K HN 0.450 nan 8.250 nan 0.000 0.446 175 A N 1.031 123.818 122.820 -0.055 0.000 1.841 175 A HA 0.205 4.525 4.320 -0.000 0.000 0.216 175 A C 2.786 180.332 177.584 -0.063 0.000 1.199 175 A CA 2.511 54.516 52.037 -0.054 0.000 0.621 175 A CB -1.157 17.825 19.000 -0.030 0.000 0.835 175 A HN 1.191 nan 8.150 nan 0.000 0.445 176 A N -1.769 121.021 122.820 -0.049 0.000 2.234 176 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 176 A C 2.137 179.684 177.584 -0.062 0.000 1.167 176 A CA 1.669 53.678 52.037 -0.047 0.000 0.698 176 A CB -1.073 17.906 19.000 -0.035 0.000 0.779 176 A HN 0.867 nan 8.150 nan 0.000 0.475 177 c N -2.889 115.661 118.600 -0.083 0.000 2.535 177 c HA 0.403 4.973 4.570 -0.000 0.000 0.310 177 c C 2.752 176.753 174.090 -0.149 0.000 1.344 177 c CA 1.013 57.280 56.329 -0.103 0.000 1.831 177 c CB -0.643 41.805 42.510 -0.104 0.000 2.284 177 c HN 0.627 nan 8.230 nan 0.000 0.523 178 L N 1.275 122.385 121.223 -0.187 0.000 2.084 178 L HA 0.325 4.665 4.340 -0.000 0.000 0.202 178 L C 3.098 179.846 176.870 -0.204 0.000 1.074 178 L CA 2.332 57.004 54.840 -0.279 0.000 0.757 178 L CB -1.950 39.873 42.059 -0.392 0.000 0.918 178 L HN 0.620 nan 8.230 nan 0.000 0.444 179 L N -0.616 120.527 121.223 -0.132 0.000 1.991 179 L HA -0.220 4.120 4.340 -0.000 0.000 0.221 179 L C 1.163 177.996 176.870 -0.062 0.000 1.079 179 L CA 3.214 58.008 54.840 -0.076 0.000 0.778 179 L CB -3.018 39.014 42.059 -0.045 0.000 0.893 179 L HN 0.498 nan 8.230 nan 0.000 0.437 180 P HA -0.092 nan 4.420 nan 0.000 0.215 180 P C 2.019 179.292 177.300 -0.045 0.000 1.153 180 P CA 2.500 65.576 63.100 -0.041 0.000 0.853 180 P CB -0.182 31.493 31.700 -0.042 0.000 0.788 181 K N -0.554 119.794 120.400 -0.086 0.000 2.103 181 K HA -0.085 4.235 4.320 -0.000 0.000 0.204 181 K C 1.946 178.499 176.600 -0.078 0.000 1.052 181 K CA 1.445 57.675 56.287 -0.096 0.000 0.945 181 K CB -1.739 30.661 32.500 -0.166 0.000 0.722 181 K HN -0.010 nan 8.250 nan 0.000 0.443 182 L N 1.901 123.061 121.223 -0.105 0.000 2.093 182 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 182 L C 2.136 179.033 176.870 0.045 0.000 1.085 182 L CA 1.566 56.386 54.840 -0.034 0.000 0.755 182 L CB -0.305 41.721 42.059 -0.055 0.000 0.904 182 L HN 0.462 nan 8.230 nan 0.000 0.435 183 D N -0.506 119.907 120.400 0.023 0.000 2.088 183 D HA -0.269 4.371 4.640 -0.000 0.000 0.191 183 D C 1.887 178.224 176.300 0.063 0.000 0.992 183 D CA 1.576 55.602 54.000 0.043 0.000 0.831 183 D CB 0.091 40.906 40.800 0.025 0.000 0.973 183 D HN 0.457 nan 8.370 nan 0.000 0.447 184 E N 0.536 120.769 120.200 0.055 0.000 2.273 184 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 184 E C 2.267 178.941 176.600 0.123 0.000 1.002 184 E CA 0.939 57.387 56.400 0.079 0.000 0.828 184 E CB -0.098 29.640 29.700 0.063 0.000 0.747 184 E HN 0.234 nan 8.360 nan 0.000 0.491 185 L N 1.188 122.488 121.223 0.128 0.000 2.162 185 L HA 0.105 4.445 4.340 -0.000 0.000 0.205 185 L C 2.567 179.521 176.870 0.141 0.000 1.086 185 L CA 1.734 56.686 54.840 0.187 0.000 0.778 185 L CB -1.449 40.738 42.059 0.213 0.000 0.928 185 L HN 0.242 nan 8.230 nan 0.000 0.446 186 R N 0.635 121.207 120.500 0.120 0.000 2.070 186 R HA -0.171 4.169 4.340 -0.000 0.000 0.233 186 R C 2.087 178.427 176.300 0.067 0.000 1.137 186 R CA 2.555 58.708 56.100 0.088 0.000 0.945 186 R CB -1.264 29.091 30.300 0.092 0.000 0.845 186 R HN 0.532 nan 8.270 nan 0.000 0.430 187 D N 0.930 121.381 120.400 0.085 0.000 2.092 187 D HA -0.234 4.406 4.640 -0.000 0.000 0.193 187 D C 1.840 178.201 176.300 0.102 0.000 0.994 187 D CA 1.452 55.505 54.000 0.089 0.000 0.828 187 D CB -0.626 40.229 40.800 0.093 0.000 0.963 187 D HN 0.687 nan 8.370 nan 0.000 0.450 188 E N -0.296 119.991 120.200 0.144 0.000 2.204 188 E HA -0.015 4.335 4.350 -0.000 0.000 0.195 188 E C 2.389 179.082 176.600 0.156 0.000 0.990 188 E CA 0.850 57.385 56.400 0.225 0.000 0.821 188 E CB -0.264 29.659 29.700 0.372 0.000 0.750 188 E HN 0.472 nan 8.360 nan 0.000 0.477 189 G N 0.752 109.520 108.800 -0.053 0.000 2.430 189 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 189 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 189 G C 1.422 176.249 174.900 -0.121 0.000 1.146 189 G CA 0.263 45.196 45.100 -0.279 0.000 0.793 189 G HN 0.128 nan 8.290 nan 0.000 0.537 190 K N 0.618 120.983 120.400 -0.057 0.000 2.148 190 K HA 0.104 4.424 4.320 -0.000 0.000 0.204 190 K C 2.834 179.412 176.600 -0.037 0.000 1.050 190 K CA 0.912 57.172 56.287 -0.046 0.000 0.942 190 K CB -0.086 32.436 32.500 0.037 0.000 0.724 190 K HN 0.263 nan 8.250 nan 0.000 0.446 191 A N 0.909 123.742 122.820 0.021 0.000 1.897 191 A HA -0.118 4.201 4.320 -0.000 0.000 0.215 191 A C 2.249 179.828 177.584 -0.009 0.000 1.181 191 A CA 1.608 53.679 52.037 0.057 0.000 0.620 191 A CB -0.566 18.523 19.000 0.147 0.000 0.821 191 A HN 0.223 nan 8.150 nan 0.000 0.443 192 S N -0.438 115.252 115.700 -0.017 0.000 2.359 192 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 192 S C 2.376 176.762 174.600 -0.357 0.000 1.035 192 S CA 2.086 60.236 58.200 -0.085 0.000 1.018 192 S CB -0.465 62.780 63.200 0.074 0.000 0.876 192 S HN 0.634 nan 8.310 nan 0.000 0.448 193 S N 0.561 115.942 115.700 -0.533 0.000 2.370 193 S HA -0.057 4.413 4.470 -0.000 0.000 0.226 193 S C 2.042 176.507 174.600 -0.226 0.000 1.033 193 S CA 1.520 59.405 58.200 -0.524 0.000 1.011 193 S CB -0.743 62.184 63.200 -0.454 0.000 0.852 193 S HN 0.672 nan 8.310 nan 0.000 0.457 194 A N 1.337 124.062 122.820 -0.159 0.000 1.877 194 A HA -0.064 4.255 4.320 -0.000 0.000 0.216 194 A C 2.134 179.630 177.584 -0.146 0.000 1.186 194 A CA 1.595 53.557 52.037 -0.124 0.000 0.620 194 A CB -0.615 18.316 19.000 -0.116 0.000 0.822 194 A HN 0.618 nan 8.150 nan 0.000 0.443 195 K N -1.025 119.293 120.400 -0.137 0.000 2.063 195 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 195 K C 2.354 178.837 176.600 -0.196 0.000 1.048 195 K CA 1.764 57.963 56.287 -0.147 0.000 0.928 195 K CB -0.125 32.313 32.500 -0.103 0.000 0.713 195 K HN 0.473 nan 8.250 nan 0.000 0.442 196 Q N 1.047 120.732 119.800 -0.192 0.000 2.123 196 Q HA -0.121 4.218 4.340 -0.000 0.000 0.199 196 Q C 1.905 177.823 176.000 -0.136 0.000 0.966 196 Q CA 1.399 57.096 55.803 -0.178 0.000 0.845 196 Q CB -0.042 28.619 28.738 -0.129 0.000 0.907 196 Q HN 0.034 nan 8.270 nan 0.000 0.439 197 R N -0.420 120.001 120.500 -0.132 0.000 2.120 197 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 197 R C 1.844 178.025 176.300 -0.198 0.000 1.123 197 R CA 0.996 56.995 56.100 -0.167 0.000 0.975 197 R CB -0.670 29.543 30.300 -0.145 0.000 0.866 197 R HN 0.391 nan 8.270 nan 0.000 0.446 198 L N 0.746 121.849 121.223 -0.200 0.000 2.027 198 L HA -0.105 4.235 4.340 -0.000 0.000 0.206 198 L C 1.544 178.264 176.870 -0.250 0.000 1.074 198 L CA 1.865 56.565 54.840 -0.233 0.000 0.745 198 L CB -0.448 41.439 42.059 -0.285 0.000 0.898 198 L HN 0.068 nan 8.230 nan 0.000 0.433 199 K N -0.805 119.442 120.400 -0.254 0.000 2.020 199 K HA -0.206 4.113 4.320 -0.000 0.000 0.212 199 K C 2.128 178.682 176.600 -0.076 0.000 1.050 199 K CA 1.968 58.142 56.287 -0.188 0.000 0.929 199 K CB -1.014 31.331 32.500 -0.258 0.000 0.714 199 K HN 0.446 nan 8.250 nan 0.000 0.443 200 c N 0.699 119.249 118.600 -0.083 0.000 2.446 200 c HA -0.047 4.523 4.570 -0.000 0.000 0.277 200 c C 3.007 177.050 174.090 -0.078 0.000 1.275 200 c CA 0.669 56.971 56.329 -0.046 0.000 1.727 200 c CB -1.010 41.490 42.510 -0.017 0.000 2.010 200 c HN 0.545 nan 8.230 nan 0.000 0.486 201 A N 0.797 123.541 122.820 -0.127 0.000 1.877 201 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 201 A C 2.258 179.859 177.584 0.029 0.000 1.186 201 A CA 2.336 54.323 52.037 -0.084 0.000 0.620 201 A CB -0.904 18.047 19.000 -0.081 0.000 0.822 201 A HN 0.551 nan 8.150 nan 0.000 0.443 202 S N -0.036 115.696 115.700 0.052 0.000 2.365 202 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 202 S C 1.864 176.575 174.600 0.185 0.000 1.039 202 S CA 1.710 60.016 58.200 0.176 0.000 1.033 202 S CB -0.536 62.670 63.200 0.011 0.000 0.887 202 S HN 0.497 nan 8.310 nan 0.000 0.447 203 L N 1.189 122.459 121.223 0.079 0.000 1.988 203 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 203 L C 3.072 179.947 176.870 0.007 0.000 1.071 203 L CA 1.340 56.189 54.840 0.014 0.000 0.744 203 L CB -0.918 41.082 42.059 -0.099 0.000 0.893 203 L HN 0.270 nan 8.230 nan 0.000 0.433 204 Q N -0.193 119.599 119.800 -0.013 0.000 2.061 204 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 204 Q C 2.200 178.147 176.000 -0.089 0.000 0.984 204 Q CA 1.852 57.635 55.803 -0.033 0.000 0.846 204 Q CB -0.383 28.335 28.738 -0.033 0.000 0.902 204 Q HN 0.567 nan 8.270 nan 0.000 0.421 205 K N -1.124 119.179 120.400 -0.163 0.000 2.202 205 K HA 0.165 4.485 4.320 -0.000 0.000 0.201 205 K C 1.626 177.898 176.600 -0.547 0.000 1.051 205 K CA 0.876 56.926 56.287 -0.395 0.000 0.977 205 K CB 0.181 32.329 32.500 -0.587 0.000 0.792 205 K HN 0.270 nan 8.250 nan 0.000 0.469 206 F N 0.306 120.268 119.950 0.019 0.000 2.717 206 F HA 0.295 4.822 4.527 -0.000 0.000 0.295 206 F C 0.961 176.792 175.800 0.052 0.000 1.117 206 F CA 0.247 58.272 58.000 0.041 0.000 1.361 206 F CB 0.651 39.685 39.000 0.057 0.000 1.112 206 F HN 0.084 nan 8.300 nan 0.000 0.594 207 G N 0.711 109.607 108.800 0.161 0.000 2.699 207 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.686 207 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.686 207 G C 0.471 175.460 174.900 0.147 0.000 1.301 207 G CA -0.093 45.079 45.100 0.120 0.000 0.816 207 G HN 0.266 nan 8.290 nan 0.000 0.595 208 E N -0.017 120.240 120.200 0.095 0.000 2.070 208 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 208 E C 2.459 179.175 176.600 0.192 0.000 1.004 208 E CA 1.972 58.434 56.400 0.103 0.000 0.805 208 E CB -0.075 29.658 29.700 0.055 0.000 0.744 208 E HN 0.470 nan 8.360 nan 0.000 0.451 209 R N 0.384 120.982 120.500 0.164 0.000 2.105 209 R HA -0.101 4.239 4.340 -0.000 0.000 0.239 209 R C 2.003 178.423 176.300 0.200 0.000 1.135 209 R CA 1.722 57.924 56.100 0.171 0.000 0.967 209 R CB -0.845 29.539 30.300 0.140 0.000 0.861 209 R HN 0.305 nan 8.270 nan 0.000 0.442 210 A N -0.809 122.144 122.820 0.221 0.000 1.930 210 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 210 A C 2.130 179.877 177.584 0.271 0.000 1.175 210 A CA 1.248 53.421 52.037 0.226 0.000 0.627 210 A CB -0.756 18.388 19.000 0.239 0.000 0.815 210 A HN 0.453 nan 8.150 nan 0.000 0.443 211 F N 0.834 120.848 119.950 0.107 0.000 2.084 211 F HA -0.122 4.405 4.527 0.000 0.000 0.296 211 F C 2.144 178.006 175.800 0.103 0.000 1.111 211 F CA 2.140 60.175 58.000 0.058 0.000 1.224 211 F CB -0.218 38.788 39.000 0.010 0.000 0.991 211 F HN 0.090 nan 8.300 nan 0.000 0.471 212 K N 0.301 120.941 120.400 0.401 0.000 2.074 212 K HA -0.201 4.119 4.320 -0.000 0.000 0.209 212 K C 2.285 178.964 176.600 0.131 0.000 1.048 212 K CA 1.360 57.799 56.287 0.253 0.000 0.926 212 K CB -0.602 32.047 32.500 0.248 0.000 0.713 212 K HN 0.402 nan 8.250 nan 0.000 0.444 213 A N 1.222 124.133 122.820 0.151 0.000 1.873 213 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 213 A C 1.914 179.552 177.584 0.090 0.000 1.186 213 A CA 1.015 53.123 52.037 0.118 0.000 0.616 213 A CB -0.844 18.222 19.000 0.110 0.000 0.823 213 A HN 0.526 nan 8.150 nan 0.000 0.442 214 W N 0.723 121.947 121.300 -0.127 0.000 2.335 214 W HA -0.219 4.441 4.660 -0.000 0.000 0.311 214 W C 2.516 178.900 176.519 -0.226 0.000 1.213 214 W CA 2.206 59.438 57.345 -0.188 0.000 1.274 214 W CB -0.563 28.746 29.460 -0.251 0.000 1.148 214 W HN 0.437 nan 8.180 nan 0.000 0.498 215 A N -0.017 122.791 122.820 -0.019 0.000 1.877 215 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 215 A C 2.169 179.747 177.584 -0.010 0.000 1.186 215 A CA 2.375 54.348 52.037 -0.107 0.000 0.620 215 A CB -1.224 17.631 19.000 -0.241 0.000 0.822 215 A HN 0.071 nan 8.150 nan 0.000 0.443 216 V N -0.116 119.821 119.914 0.038 0.000 2.287 216 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 216 V C 3.068 179.210 176.094 0.080 0.000 1.053 216 V CA 2.183 64.540 62.300 0.096 0.000 1.027 216 V CB -1.200 30.723 31.823 0.165 0.000 0.646 216 V HN 0.640 nan 8.190 nan 0.000 0.447 217 A N -0.169 122.659 122.820 0.015 0.000 1.898 217 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 217 A C 2.290 179.829 177.584 -0.074 0.000 1.181 217 A CA 2.094 54.100 52.037 -0.052 0.000 0.620 217 A CB -0.488 18.422 19.000 -0.149 0.000 0.819 217 A HN 0.462 nan 8.150 nan 0.000 0.442 218 R N -0.018 120.439 120.500 -0.071 0.000 2.073 218 R HA 0.092 4.432 4.340 -0.000 0.000 0.229 218 R C 1.868 178.090 176.300 -0.130 0.000 1.120 218 R CA 1.411 57.458 56.100 -0.089 0.000 0.967 218 R CB -0.731 29.546 30.300 -0.038 0.000 0.862 218 R HN 0.496 nan 8.270 nan 0.000 0.436 219 L N -0.159 121.001 121.223 -0.105 0.000 2.141 219 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 219 L C 2.119 178.948 176.870 -0.068 0.000 1.094 219 L CA 1.263 56.002 54.840 -0.170 0.000 0.763 219 L CB -0.329 41.718 42.059 -0.021 0.000 0.908 219 L HN 0.178 nan 8.230 nan 0.000 0.437 220 S N -0.663 115.064 115.700 0.045 0.000 2.423 220 S HA -0.178 4.291 4.470 -0.000 0.000 0.231 220 S C 1.927 176.512 174.600 -0.026 0.000 1.014 220 S CA 1.026 59.288 58.200 0.104 0.000 0.965 220 S CB -0.074 63.206 63.200 0.133 0.000 0.785 220 S HN 0.462 nan 8.310 nan 0.000 0.495 221 Q N 0.448 120.196 119.800 -0.087 0.000 2.083 221 Q HA 0.012 4.352 4.340 -0.000 0.000 0.198 221 Q C 2.406 178.332 176.000 -0.125 0.000 0.969 221 Q CA 0.903 56.638 55.803 -0.114 0.000 0.838 221 Q CB -0.096 28.570 28.738 -0.120 0.000 0.900 221 Q HN 0.383 nan 8.270 nan 0.000 0.436 222 R N -0.271 120.096 120.500 -0.221 0.000 2.090 222 R HA -0.053 4.287 4.340 -0.000 0.000 0.228 222 R C -0.038 176.189 176.300 -0.120 0.000 1.110 222 R CA 0.840 56.743 56.100 -0.328 0.000 0.973 222 R CB 0.341 30.212 30.300 -0.715 0.000 0.869 222 R HN 0.063 nan 8.270 nan 0.000 0.440 223 F N 1.292 121.255 119.950 0.021 0.000 2.532 223 F HA 0.372 4.898 4.527 -0.000 0.000 0.313 223 F C -1.775 174.056 175.800 0.052 0.000 1.301 223 F CA -3.340 54.683 58.000 0.039 0.000 1.154 223 F CB 1.403 40.440 39.000 0.062 0.000 1.335 223 F HN -0.009 nan 8.300 nan 0.000 0.542 224 P HA -0.174 nan 4.420 nan 0.000 0.223 224 P C 0.920 178.271 177.300 0.085 0.000 1.144 224 P CA 1.344 64.480 63.100 0.060 0.000 0.783 224 P CB 0.368 32.055 31.700 -0.022 0.000 0.771 225 K N -0.647 119.824 120.400 0.119 0.000 2.356 225 K HA 0.220 4.540 4.320 -0.000 0.000 0.195 225 K C 1.190 177.870 176.600 0.134 0.000 1.037 225 K CA -0.111 56.235 56.287 0.098 0.000 1.014 225 K CB 0.129 32.665 32.500 0.059 0.000 0.815 225 K HN 0.063 nan 8.250 nan 0.000 0.507 226 A N 2.050 124.978 122.820 0.179 0.000 2.445 226 A HA 0.053 4.373 4.320 -0.000 0.000 0.242 226 A C 0.036 177.762 177.584 0.238 0.000 1.075 226 A CA -0.158 51.978 52.037 0.166 0.000 0.777 226 A CB 0.295 19.394 19.000 0.165 0.000 1.013 226 A HN 0.043 nan 8.150 nan 0.000 0.493 227 E N 0.650 120.929 120.200 0.131 0.000 2.366 227 E HA 0.119 4.469 4.350 -0.000 0.000 0.266 227 E C 0.581 177.126 176.600 -0.091 0.000 1.051 227 E CA -0.348 56.109 56.400 0.095 0.000 0.884 227 E CB 0.482 30.220 29.700 0.064 0.000 1.006 227 E HN 0.617 nan 8.360 nan 0.000 0.417 228 F N 2.606 122.252 119.950 -0.506 0.000 2.192 228 F HA -0.256 4.271 4.527 0.000 0.000 0.301 228 F C 1.799 177.420 175.800 -0.297 0.000 1.079 228 F CA 1.999 59.524 58.000 -0.791 0.000 1.303 228 F CB -0.076 38.448 39.000 -0.793 0.000 1.024 228 F HN 0.532 nan 8.300 nan 0.000 0.494 229 A N -0.595 122.048 122.820 -0.296 0.000 2.014 229 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 229 A C 2.050 179.495 177.584 -0.231 0.000 1.163 229 A CA 1.516 53.385 52.037 -0.280 0.000 0.652 229 A CB -0.707 18.252 19.000 -0.067 0.000 0.808 229 A HN 0.469 nan 8.150 nan 0.000 0.449 230 E N -0.067 120.044 120.200 -0.147 0.000 2.046 230 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 230 E C 1.817 178.371 176.600 -0.077 0.000 0.982 230 E CA 1.451 57.818 56.400 -0.056 0.000 0.800 230 E CB -0.348 29.358 29.700 0.010 0.000 0.756 230 E HN 0.201 nan 8.360 nan 0.000 0.449 231 V N 0.582 120.429 119.914 -0.112 0.000 2.287 231 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 231 V C 2.312 178.312 176.094 -0.157 0.000 1.053 231 V CA 2.065 64.333 62.300 -0.054 0.000 1.027 231 V CB -0.730 31.087 31.823 -0.011 0.000 0.646 231 V HN 0.267 nan 8.190 nan 0.000 0.447 232 S N -0.023 115.442 115.700 -0.393 0.000 2.400 232 S HA -0.261 4.209 4.470 -0.000 0.000 0.232 232 S C 1.972 176.467 174.600 -0.175 0.000 1.025 232 S CA 1.875 59.863 58.200 -0.353 0.000 0.993 232 S CB -0.349 62.507 63.200 -0.574 0.000 0.808 232 S HN 0.630 nan 8.310 nan 0.000 0.478 233 K N 2.150 122.453 120.400 -0.163 0.000 2.025 233 K HA 0.052 4.372 4.320 -0.000 0.000 0.207 233 K C 1.825 178.350 176.600 -0.125 0.000 1.049 233 K CA 1.311 57.521 56.287 -0.129 0.000 0.933 233 K CB -0.800 31.630 32.500 -0.117 0.000 0.714 233 K HN 0.334 nan 8.250 nan 0.000 0.438 234 L N 0.261 121.434 121.223 -0.084 0.000 2.017 234 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 234 L C 2.388 179.269 176.870 0.019 0.000 1.073 234 L CA 1.230 56.051 54.840 -0.031 0.000 0.745 234 L CB -0.677 41.434 42.059 0.086 0.000 0.894 234 L HN 0.016 nan 8.230 nan 0.000 0.432 235 V N -0.212 119.720 119.914 0.030 0.000 2.282 235 V HA -0.342 3.778 4.120 -0.000 0.000 0.249 235 V C 2.602 178.763 176.094 0.112 0.000 1.057 235 V CA 2.534 64.882 62.300 0.080 0.000 1.032 235 V CB -0.905 30.953 31.823 0.059 0.000 0.645 235 V HN 0.512 nan 8.190 nan 0.000 0.447 236 T N -0.547 114.034 114.554 0.046 0.000 2.720 236 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 236 T C 1.662 176.385 174.700 0.039 0.000 1.037 236 T CA 1.746 63.871 62.100 0.043 0.000 1.144 236 T CB -0.390 68.477 68.868 -0.003 0.000 0.864 236 T HN 0.510 nan 8.240 nan 0.000 0.444 237 D N 0.871 121.273 120.400 0.003 0.000 2.097 237 D HA -0.027 4.613 4.640 -0.000 0.000 0.197 237 D C 2.058 178.391 176.300 0.055 0.000 0.984 237 D CA 0.638 54.634 54.000 -0.006 0.000 0.826 237 D CB -0.479 40.278 40.800 -0.072 0.000 0.973 237 D HN 0.143 nan 8.370 nan 0.000 0.460 238 L N 1.032 122.325 121.223 0.115 0.000 2.187 238 L HA -0.122 4.218 4.340 -0.000 0.000 0.213 238 L C 2.149 179.233 176.870 0.358 0.000 1.100 238 L CA 1.564 56.542 54.840 0.230 0.000 0.765 238 L CB -0.764 41.451 42.059 0.261 0.000 0.904 238 L HN -0.040 nan 8.230 nan 0.000 0.437 239 T N -0.775 113.959 114.554 0.299 0.000 2.904 239 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 239 T C 2.108 176.776 174.700 -0.053 0.000 1.059 239 T CA 1.550 63.722 62.100 0.120 0.000 1.137 239 T CB -0.182 68.758 68.868 0.119 0.000 0.879 239 T HN 0.525 nan 8.240 nan 0.000 0.467 240 K N 1.148 121.552 120.400 0.006 0.000 2.031 240 K HA 0.068 4.388 4.320 -0.000 0.000 0.205 240 K C 2.468 179.054 176.600 -0.022 0.000 1.049 240 K CA 1.277 57.551 56.287 -0.022 0.000 0.939 240 K CB -1.333 31.160 32.500 -0.011 0.000 0.717 240 K HN 0.276 nan 8.250 nan 0.000 0.438 241 V N 1.369 121.273 119.914 -0.016 0.000 2.255 241 V HA -0.314 3.805 4.120 -0.000 0.000 0.247 241 V C 2.535 178.586 176.094 -0.072 0.000 1.051 241 V CA 1.985 64.250 62.300 -0.058 0.000 1.018 241 V CB -0.735 31.022 31.823 -0.109 0.000 0.641 241 V HN 0.696 nan 8.190 nan 0.000 0.445 242 H N -0.218 118.882 119.070 0.049 0.000 2.389 242 H HA -0.092 4.464 4.556 0.000 0.000 0.299 242 H C 2.500 177.786 175.328 -0.069 0.000 1.081 242 H CA 1.898 57.944 56.048 -0.003 0.000 1.345 242 H CB -0.460 29.292 29.762 -0.016 0.000 1.393 242 H HN 0.416 nan 8.280 nan 0.000 0.520 243 T N 1.031 115.560 114.554 -0.042 0.000 2.746 243 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 243 T C 1.872 176.589 174.700 0.029 0.000 1.039 243 T CA 1.402 63.466 62.100 -0.059 0.000 1.142 243 T CB -0.006 68.800 68.868 -0.102 0.000 0.866 243 T HN 0.526 nan 8.240 nan 0.000 0.444 244 E N 0.193 120.403 120.200 0.017 0.000 2.015 244 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 244 E C 2.566 179.221 176.600 0.091 0.000 0.991 244 E CA 1.110 57.530 56.400 0.033 0.000 0.802 244 E CB -0.424 29.272 29.700 -0.006 0.000 0.759 244 E HN 0.379 nan 8.360 nan 0.000 0.447 245 c N 0.757 119.421 118.600 0.106 0.000 2.398 245 c HA -0.203 4.367 4.570 -0.000 0.000 0.276 245 c C 3.001 177.201 174.090 0.182 0.000 1.222 245 c CA 0.617 57.041 56.329 0.160 0.000 1.746 245 c CB -0.826 41.860 42.510 0.293 0.000 2.039 245 c HN 0.621 nan 8.230 nan 0.000 0.470 246 c N -1.384 117.335 118.600 0.198 0.000 2.422 246 c HA -0.116 4.454 4.570 -0.000 0.000 0.279 246 c C 2.542 176.768 174.090 0.227 0.000 1.305 246 c CA 1.005 57.469 56.329 0.225 0.000 1.757 246 c CB -1.678 40.939 42.510 0.178 0.000 1.962 246 c HN 0.721 nan 8.230 nan 0.000 0.499 247 H N -0.147 118.985 119.070 0.102 0.000 2.547 247 H HA 0.129 4.685 4.556 -0.000 0.000 0.266 247 H C 1.765 177.171 175.328 0.130 0.000 0.988 247 H CA 1.141 57.253 56.048 0.107 0.000 1.147 247 H CB -0.116 29.693 29.762 0.079 0.000 1.365 247 H HN 0.532 nan 8.280 nan 0.000 0.589 248 G N 1.026 109.948 108.800 0.203 0.000 2.195 248 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.224 248 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.224 248 G C 0.013 174.925 174.900 0.020 0.000 0.990 248 G CA 0.166 45.315 45.100 0.081 0.000 0.639 248 G HN 0.477 nan 8.290 nan 0.000 0.514 249 D N 1.730 122.187 120.400 0.095 0.000 2.671 249 D HA 0.285 4.925 4.640 -0.000 0.000 0.228 249 D C 2.078 178.321 176.300 -0.094 0.000 1.102 249 D CA -0.106 53.858 54.000 -0.060 0.000 1.044 249 D CB 0.045 40.826 40.800 -0.031 0.000 1.113 249 D HN 0.396 nan 8.370 nan 0.000 0.480 250 L N -0.159 120.978 121.223 -0.142 0.000 2.083 250 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 250 L C 2.343 179.142 176.870 -0.119 0.000 1.083 250 L CA 0.864 55.635 54.840 -0.115 0.000 0.752 250 L CB -0.273 41.706 42.059 -0.134 0.000 0.899 250 L HN 0.271 nan 8.230 nan 0.000 0.433 251 L N -0.532 120.598 121.223 -0.156 0.000 2.027 251 L HA -0.178 4.162 4.340 -0.000 0.000 0.206 251 L C 2.532 179.344 176.870 -0.096 0.000 1.074 251 L CA 1.113 55.883 54.840 -0.117 0.000 0.745 251 L CB -0.556 41.445 42.059 -0.098 0.000 0.898 251 L HN 0.185 nan 8.230 nan 0.000 0.433 252 E N -0.393 119.743 120.200 -0.107 0.000 2.077 252 E HA -0.233 4.116 4.350 -0.000 0.000 0.193 252 E C 2.250 178.811 176.600 -0.065 0.000 0.989 252 E CA 1.461 57.805 56.400 -0.093 0.000 0.800 252 E CB -0.736 28.912 29.700 -0.087 0.000 0.746 252 E HN 0.466 nan 8.360 nan 0.000 0.452 253 c N 0.815 119.382 118.600 -0.055 0.000 2.413 253 c HA -0.146 4.424 4.570 -0.000 0.000 0.277 253 c C 2.825 176.886 174.090 -0.049 0.000 1.228 253 c CA 1.482 57.791 56.329 -0.033 0.000 1.731 253 c CB -1.116 41.392 42.510 -0.003 0.000 2.042 253 c HN 0.498 nan 8.230 nan 0.000 0.468 254 A N -0.240 122.539 122.820 -0.069 0.000 1.883 254 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 254 A C 2.052 179.610 177.584 -0.044 0.000 1.186 254 A CA 2.344 54.337 52.037 -0.073 0.000 0.624 254 A CB -0.966 17.991 19.000 -0.071 0.000 0.822 254 A HN 0.710 nan 8.150 nan 0.000 0.444 255 D N -0.090 120.285 120.400 -0.042 0.000 2.097 255 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 255 D C 1.393 177.688 176.300 -0.009 0.000 0.989 255 D CA 1.366 55.350 54.000 -0.026 0.000 0.827 255 D CB -0.291 40.473 40.800 -0.060 0.000 0.966 255 D HN 0.398 nan 8.370 nan 0.000 0.456 256 D N -0.080 120.309 120.400 -0.018 0.000 2.178 256 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 256 D C 2.109 178.412 176.300 0.005 0.000 0.974 256 D CA 0.403 54.401 54.000 -0.003 0.000 0.841 256 D CB -0.074 40.718 40.800 -0.012 0.000 0.953 256 D HN 0.253 nan 8.370 nan 0.000 0.478 257 R N 0.807 121.304 120.500 -0.004 0.000 2.096 257 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 257 R C 2.141 178.455 176.300 0.024 0.000 1.127 257 R CA 1.296 57.402 56.100 0.009 0.000 0.968 257 R CB -0.041 30.250 30.300 -0.015 0.000 0.861 257 R HN 0.057 nan 8.270 nan 0.000 0.440 258 A N 1.321 124.151 122.820 0.016 0.000 1.877 258 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 258 A C 1.664 179.278 177.584 0.049 0.000 1.186 258 A CA 1.773 53.828 52.037 0.030 0.000 0.620 258 A CB -0.509 18.506 19.000 0.025 0.000 0.822 258 A HN 0.371 nan 8.150 nan 0.000 0.443 259 D N -0.197 120.234 120.400 0.051 0.000 2.104 259 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 259 D C 1.890 178.247 176.300 0.096 0.000 0.994 259 D CA 1.496 55.539 54.000 0.071 0.000 0.830 259 D CB -0.453 40.384 40.800 0.062 0.000 0.959 259 D HN 0.451 nan 8.370 nan 0.000 0.452 260 L N 0.337 121.603 121.223 0.072 0.000 2.201 260 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 260 L C 2.141 179.093 176.870 0.136 0.000 1.105 260 L CA 1.179 56.069 54.840 0.084 0.000 0.775 260 L CB -0.054 42.029 42.059 0.040 0.000 0.913 260 L HN -0.073 nan 8.230 nan 0.000 0.440 261 A N -0.536 122.345 122.820 0.103 0.000 1.970 261 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 261 A C 2.352 179.990 177.584 0.091 0.000 1.170 261 A CA 1.480 53.573 52.037 0.093 0.000 0.645 261 A CB -0.325 18.713 19.000 0.063 0.000 0.816 261 A HN 0.436 nan 8.150 nan 0.000 0.447 262 K N -1.556 118.901 120.400 0.095 0.000 2.031 262 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 262 K C 1.904 178.556 176.600 0.087 0.000 1.049 262 K CA 1.461 57.793 56.287 0.075 0.000 0.939 262 K CB -0.410 32.134 32.500 0.073 0.000 0.717 262 K HN 0.480 nan 8.250 nan 0.000 0.438 263 Y N 1.897 122.202 120.300 0.009 0.000 2.014 263 Y HA -0.301 4.248 4.550 -0.000 0.000 0.270 263 Y C 1.830 177.722 175.900 -0.014 0.000 1.145 263 Y CA 2.074 60.174 58.100 0.001 0.000 1.106 263 Y CB -0.503 37.961 38.460 0.007 0.000 0.968 263 Y HN 0.023 nan 8.280 nan 0.000 0.484 264 I N -0.474 120.281 120.570 0.308 0.000 2.143 264 I HA -0.501 3.669 4.170 -0.000 0.000 0.245 264 I C 2.558 178.642 176.117 -0.055 0.000 1.068 264 I CA 1.872 63.251 61.300 0.132 0.000 1.326 264 I CB -0.927 37.160 38.000 0.146 0.000 1.028 264 I HN 0.430 nan 8.210 nan 0.000 0.412 265 c N 0.493 119.077 118.600 -0.027 0.000 2.435 265 c HA -0.106 4.464 4.570 -0.000 0.000 0.279 265 c C 2.529 176.564 174.090 -0.092 0.000 1.321 265 c CA 0.593 56.893 56.329 -0.049 0.000 1.752 265 c CB -1.098 41.404 42.510 -0.015 0.000 1.959 265 c HN 0.491 nan 8.230 nan 0.000 0.500 266 E N 0.769 120.889 120.200 -0.133 0.000 2.347 266 E HA -0.102 4.247 4.350 -0.000 0.000 0.196 266 E C 0.478 176.948 176.600 -0.215 0.000 1.008 266 E CA 0.831 57.134 56.400 -0.161 0.000 0.852 266 E CB -0.169 29.427 29.700 -0.174 0.000 0.783 266 E HN 0.722 nan 8.360 nan 0.000 0.505 267 N N 0.137 118.667 118.700 -0.284 0.000 2.338 267 N HA 0.065 4.805 4.740 -0.000 0.000 0.251 267 N C 0.535 175.933 175.510 -0.186 0.000 1.199 267 N CA -0.129 52.761 53.050 -0.267 0.000 0.879 267 N CB 0.608 38.846 38.487 -0.414 0.000 1.159 267 N HN 0.047 nan 8.380 nan 0.000 0.514 268 Q N 0.670 120.381 119.800 -0.149 0.000 2.103 268 Q HA -0.302 4.038 4.340 -0.000 0.000 0.213 268 Q C 1.783 177.715 176.000 -0.113 0.000 1.008 268 Q CA 2.496 58.224 55.803 -0.125 0.000 0.879 268 Q CB -0.521 28.166 28.738 -0.084 0.000 0.946 268 Q HN 0.761 nan 8.270 nan 0.000 0.413 269 D N -0.218 120.130 120.400 -0.087 0.000 2.263 269 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 269 D C 1.770 178.030 176.300 -0.066 0.000 0.971 269 D CA 1.270 55.231 54.000 -0.065 0.000 0.867 269 D CB -0.313 40.458 40.800 -0.049 0.000 0.929 269 D HN 0.187 nan 8.370 nan 0.000 0.492 270 S N -1.240 114.408 115.700 -0.086 0.000 2.558 270 S HA 0.279 4.749 4.470 -0.000 0.000 0.217 270 S C 1.578 176.123 174.600 -0.092 0.000 0.975 270 S CA 0.046 58.204 58.200 -0.070 0.000 0.912 270 S CB 0.150 63.309 63.200 -0.068 0.000 0.776 270 S HN 0.635 nan 8.310 nan 0.000 0.526 271 I N -1.254 119.215 120.570 -0.169 0.000 3.632 271 I HA 0.241 4.411 4.170 -0.000 0.000 0.246 271 I C 0.776 176.696 176.117 -0.329 0.000 1.125 271 I CA 0.105 61.211 61.300 -0.323 0.000 1.519 271 I CB 0.355 38.031 38.000 -0.540 0.000 1.555 271 I HN 0.074 nan 8.210 nan 0.000 0.452 272 S N -0.675 114.853 115.700 -0.286 0.000 2.607 272 S HA 0.367 4.837 4.470 -0.000 0.000 0.273 272 S C 0.188 174.761 174.600 -0.045 0.000 1.148 272 S CA -0.044 58.098 58.200 -0.096 0.000 0.833 272 S CB 1.635 64.834 63.200 -0.002 0.000 1.130 272 S HN 0.255 nan 8.310 nan 0.000 0.470 273 S N 1.114 116.819 115.700 0.008 0.000 2.539 273 S HA 0.292 4.762 4.470 -0.000 0.000 0.221 273 S C 0.596 175.207 174.600 0.018 0.000 0.987 273 S CA -0.402 57.800 58.200 0.004 0.000 0.929 273 S CB 0.004 63.208 63.200 0.006 0.000 0.832 273 S HN 0.559 nan 8.310 nan 0.000 0.492 274 K N 0.986 121.412 120.400 0.043 0.000 2.374 274 K HA 0.358 4.678 4.320 -0.000 0.000 0.196 274 K C 1.913 178.543 176.600 0.050 0.000 1.023 274 K CA 0.743 57.059 56.287 0.049 0.000 1.103 274 K CB -0.330 32.211 32.500 0.069 0.000 0.848 274 K HN 0.505 nan 8.250 nan 0.000 0.528 275 L N 1.019 122.265 121.223 0.039 0.000 2.341 275 L HA 0.053 4.393 4.340 -0.000 0.000 0.214 275 L C 2.710 179.589 176.870 0.015 0.000 1.115 275 L CA 2.016 56.876 54.840 0.032 0.000 0.820 275 L CB -1.838 40.224 42.059 0.004 0.000 0.944 275 L HN 0.282 nan 8.230 nan 0.000 0.452 276 K N 0.285 120.688 120.400 0.006 0.000 2.013 276 K HA -0.323 3.997 4.320 -0.000 0.000 0.225 276 K C 2.365 178.971 176.600 0.011 0.000 1.056 276 K CA 3.962 60.251 56.287 0.003 0.000 0.971 276 K CB -1.768 30.733 32.500 0.002 0.000 0.731 276 K HN 1.113 nan 8.250 nan 0.000 0.450 277 E N 0.033 120.243 120.200 0.016 0.000 2.068 277 E HA -0.277 4.073 4.350 -0.000 0.000 0.207 277 E C 2.448 179.063 176.600 0.024 0.000 1.032 277 E CA 2.089 58.502 56.400 0.021 0.000 0.839 277 E CB -1.651 28.064 29.700 0.025 0.000 0.758 277 E HN 0.762 nan 8.360 nan 0.000 0.457 278 c N -0.204 118.412 118.600 0.027 0.000 2.385 278 c HA -0.193 4.377 4.570 -0.000 0.000 0.275 278 c C 2.852 176.956 174.090 0.024 0.000 1.207 278 c CA 1.047 57.393 56.329 0.028 0.000 1.760 278 c CB -1.226 41.304 42.510 0.033 0.000 2.051 278 c HN 0.823 nan 8.230 nan 0.000 0.467 279 c N 0.995 119.606 118.600 0.018 0.000 2.460 279 c HA -0.040 4.530 4.570 -0.000 0.000 0.291 279 c C 2.320 176.418 174.090 0.013 0.000 1.493 279 c CA 0.675 57.012 56.329 0.013 0.000 1.748 279 c CB -1.601 40.910 42.510 0.002 0.000 1.656 279 c HN 0.616 nan 8.230 nan 0.000 0.576 280 E N 1.244 121.454 120.200 0.016 0.000 2.075 280 E HA 0.026 4.376 4.350 -0.000 0.000 0.190 280 E C 0.934 177.548 176.600 0.023 0.000 0.969 280 E CA 0.437 56.847 56.400 0.017 0.000 0.815 280 E CB -0.263 29.448 29.700 0.017 0.000 0.776 280 E HN 0.636 nan 8.360 nan 0.000 0.457 281 K N 2.440 122.856 120.400 0.028 0.000 2.457 281 K HA 0.019 4.339 4.320 -0.000 0.000 0.269 281 K C -1.910 174.711 176.600 0.035 0.000 0.969 281 K CA -0.499 55.809 56.287 0.035 0.000 0.921 281 K CB -0.693 31.831 32.500 0.040 0.000 0.940 281 K HN 0.096 nan 8.250 nan 0.000 0.517 282 P HA 0.052 nan 4.420 nan 0.000 0.278 282 P C 1.448 178.775 177.300 0.044 0.000 1.266 282 P CA -0.194 62.932 63.100 0.043 0.000 0.807 282 P CB 0.330 32.059 31.700 0.049 0.000 1.094 283 L N 1.552 122.799 121.223 0.041 0.000 2.199 283 L HA -0.315 4.025 4.340 -0.000 0.000 0.248 283 L C 2.785 179.676 176.870 0.036 0.000 1.116 283 L CA 3.179 58.042 54.840 0.038 0.000 0.843 283 L CB -2.824 nan 42.059 nan 0.000 0.961 283 L HN 0.442 nan 8.230 nan 0.000 0.441 284 L N -0.614 120.645 121.223 0.060 0.000 1.989 284 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 284 L C 3.257 180.108 176.870 -0.032 0.000 1.071 284 L CA 2.275 57.156 54.840 0.068 0.000 0.749 284 L CB -1.345 40.837 42.059 0.203 0.000 0.890 284 L HN 0.802 nan 8.230 nan 0.000 0.431 285 E N 0.868 121.089 120.200 0.034 0.000 2.153 285 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 285 E C 2.106 178.671 176.600 -0.057 0.000 0.988 285 E CA 1.605 57.970 56.400 -0.058 0.000 0.811 285 E CB -0.469 29.290 29.700 0.097 0.000 0.746 285 E HN 0.509 nan 8.360 nan 0.000 0.466 286 K N 0.211 120.606 120.400 -0.009 0.000 1.969 286 K HA -0.165 4.155 4.320 -0.000 0.000 0.216 286 K C 2.587 179.182 176.600 -0.008 0.000 1.048 286 K CA 1.801 58.090 56.287 0.004 0.000 0.948 286 K CB -0.411 32.100 32.500 0.019 0.000 0.726 286 K HN 0.349 nan 8.250 nan 0.000 0.442 287 S N -0.202 115.491 115.700 -0.011 0.000 2.365 287 S HA -0.234 4.236 4.470 -0.000 0.000 0.225 287 S C 1.853 176.431 174.600 -0.036 0.000 1.039 287 S CA 1.847 60.045 58.200 -0.002 0.000 1.033 287 S CB -0.635 62.567 63.200 0.003 0.000 0.887 287 S HN 0.556 nan 8.310 nan 0.000 0.447 288 H N -0.185 118.738 119.070 -0.246 0.000 2.387 288 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 288 H C 2.422 177.617 175.328 -0.223 0.000 1.090 288 H CA 1.772 57.609 56.048 -0.352 0.000 1.332 288 H CB -0.585 28.617 29.762 -0.934 0.000 1.386 288 H HN 0.444 nan 8.280 nan 0.000 0.516 289 c N -0.051 118.500 118.600 -0.081 0.000 2.453 289 c HA -0.070 4.500 4.570 -0.000 0.000 0.277 289 c C 2.719 176.782 174.090 -0.045 0.000 1.262 289 c CA 0.994 57.302 56.329 -0.034 0.000 1.718 289 c CB -1.298 41.223 42.510 0.018 0.000 2.031 289 c HN 0.713 nan 8.230 nan 0.000 0.480 290 I N 1.580 122.143 120.570 -0.011 0.000 2.208 290 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 290 I C 2.850 178.979 176.117 0.021 0.000 1.097 290 I CA 1.679 63.007 61.300 0.045 0.000 1.363 290 I CB -0.679 37.370 38.000 0.081 0.000 1.051 290 I HN 0.407 nan 8.210 nan 0.000 0.413 291 A N 0.127 122.921 122.820 -0.045 0.000 2.024 291 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 291 A C 1.749 179.265 177.584 -0.112 0.000 1.164 291 A CA 1.561 53.557 52.037 -0.069 0.000 0.643 291 A CB -0.329 18.613 19.000 -0.098 0.000 0.806 291 A HN 0.518 nan 8.150 nan 0.000 0.451 292 E N -0.567 119.545 120.200 -0.146 0.000 2.789 292 E HA 0.205 4.555 4.350 -0.000 0.000 0.208 292 E C -0.583 175.983 176.600 -0.057 0.000 0.988 292 E CA -0.286 56.044 56.400 -0.115 0.000 1.092 292 E CB 0.486 30.090 29.700 -0.160 0.000 1.066 292 E HN 0.243 nan 8.360 nan 0.000 0.465 293 V N 1.900 121.797 119.914 -0.028 0.000 2.637 293 V HA 0.188 4.308 4.120 -0.000 0.000 0.296 293 V C 0.406 176.495 176.094 -0.007 0.000 1.046 293 V CA 0.461 62.768 62.300 0.012 0.000 1.066 293 V CB 0.625 32.497 31.823 0.082 0.000 0.968 293 V HN 0.429 nan 8.190 nan 0.000 0.483 294 E N 5.359 125.560 120.200 0.002 0.000 2.425 294 E HA 0.155 4.505 4.350 -0.000 0.000 0.258 294 E C 0.233 176.826 176.600 -0.010 0.000 1.151 294 E CA -0.261 56.129 56.400 -0.016 0.000 0.958 294 E CB 0.067 29.763 29.700 -0.007 0.000 0.968 294 E HN 0.884 nan 8.360 nan 0.000 0.451 295 N N 1.460 120.138 118.700 -0.037 0.000 2.453 295 N HA 0.095 4.835 4.740 -0.000 0.000 0.253 295 N C -0.489 175.030 175.510 0.015 0.000 1.252 295 N CA -0.254 52.776 53.050 -0.033 0.000 0.917 295 N CB 0.754 39.203 38.487 -0.064 0.000 1.117 295 N HN 0.714 nan 8.380 nan 0.000 0.442 296 D N 0.180 120.615 120.400 0.059 0.000 2.329 296 D HA 0.030 4.670 4.640 -0.000 0.000 0.246 296 D C -0.368 175.942 176.300 0.017 0.000 1.111 296 D CA -0.056 53.983 54.000 0.065 0.000 0.941 296 D CB 0.884 41.755 40.800 0.118 0.000 1.169 296 D HN 0.184 nan 8.370 nan 0.000 0.441 297 E N 0.735 120.939 120.200 0.006 0.000 2.418 297 E HA -0.005 4.345 4.350 -0.000 0.000 0.261 297 E C 0.398 176.983 176.600 -0.026 0.000 1.070 297 E CA -0.144 56.246 56.400 -0.017 0.000 0.931 297 E CB 0.593 30.284 29.700 -0.015 0.000 0.954 297 E HN 0.440 nan 8.360 nan 0.000 0.439 298 M N 2.511 122.080 119.600 -0.051 0.000 2.185 298 M HA 0.243 4.723 4.480 -0.000 0.000 0.357 298 M C -2.245 174.022 176.300 -0.056 0.000 1.260 298 M CA -1.842 53.416 55.300 -0.070 0.000 1.124 298 M CB 0.959 33.492 32.600 -0.111 0.000 1.600 298 M HN 0.278 nan 8.290 nan 0.000 0.467 299 P HA -0.013 nan 4.420 nan 0.000 0.261 299 P C -0.228 177.046 177.300 -0.043 0.000 1.173 299 P CA 0.079 63.160 63.100 -0.033 0.000 0.760 299 P CB 0.570 32.255 31.700 -0.024 0.000 0.783 300 A N 3.748 126.549 122.820 -0.030 0.000 1.953 300 A HA -0.141 4.179 4.320 -0.000 0.000 0.212 300 A C 1.316 178.879 177.584 -0.036 0.000 1.250 300 A CA 2.182 54.200 52.037 -0.031 0.000 0.726 300 A CB -1.859 17.129 19.000 -0.020 0.000 0.837 300 A HN 0.603 nan 8.150 nan 0.000 0.481 301 D N -0.162 120.223 120.400 -0.025 0.000 2.479 301 D HA 0.565 5.205 4.640 -0.000 0.000 0.218 301 D C -0.427 175.858 176.300 -0.025 0.000 1.131 301 D CA -0.306 53.679 54.000 -0.025 0.000 0.916 301 D CB -0.272 40.520 40.800 -0.014 0.000 1.022 301 D HN 0.409 nan 8.370 nan 0.000 0.515 302 L N 2.122 123.320 121.223 -0.042 0.000 2.275 302 L HA 0.448 4.788 4.340 -0.000 0.000 0.288 302 L C -1.817 175.033 176.870 -0.034 0.000 1.046 302 L CA -1.669 53.145 54.840 -0.043 0.000 0.805 302 L CB 1.491 43.501 42.059 -0.082 0.000 1.193 302 L HN 0.363 nan 8.230 nan 0.000 0.426 303 P HA 0.045 nan 4.420 nan 0.000 0.268 303 P C -0.130 177.173 177.300 0.005 0.000 1.208 303 P CA -0.176 62.926 63.100 0.004 0.000 0.777 303 P CB 0.617 32.330 31.700 0.023 0.000 0.875 304 S N 0.425 116.134 115.700 0.014 0.000 2.576 304 S HA 0.070 4.540 4.470 -0.000 0.000 0.272 304 S C 1.221 175.864 174.600 0.072 0.000 1.352 304 S CA -0.402 57.814 58.200 0.027 0.000 1.021 304 S CB -0.078 63.138 63.200 0.027 0.000 0.887 304 S HN 0.432 nan 8.310 nan 0.000 0.542 305 L N 2.577 123.869 121.223 0.115 0.000 2.307 305 L HA 0.105 4.445 4.340 -0.000 0.000 0.211 305 L C 2.466 179.513 176.870 0.295 0.000 1.099 305 L CA 0.929 55.917 54.840 0.247 0.000 0.816 305 L CB -0.560 41.643 42.059 0.240 0.000 0.952 305 L HN 0.867 nan 8.230 nan 0.000 0.455 306 A N -0.003 122.860 122.820 0.073 0.000 1.972 306 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 306 A C 2.466 180.059 177.584 0.015 0.000 1.169 306 A CA 1.482 53.446 52.037 -0.122 0.000 0.635 306 A CB -0.548 18.286 19.000 -0.277 0.000 0.810 306 A HN 0.434 nan 8.150 nan 0.000 0.446 307 A N 0.617 123.464 122.820 0.046 0.000 1.859 307 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 307 A C 1.700 179.307 177.584 0.038 0.000 1.209 307 A CA 2.295 54.356 52.037 0.040 0.000 0.639 307 A CB -0.880 18.142 19.000 0.037 0.000 0.835 307 A HN 0.505 nan 8.150 nan 0.000 0.450 308 D N -2.142 118.268 120.400 0.017 0.000 2.289 308 D HA 0.102 4.742 4.640 -0.000 0.000 0.207 308 D C 1.104 177.260 176.300 -0.241 0.000 0.966 308 D CA 0.742 54.649 54.000 -0.154 0.000 0.868 308 D CB -0.063 40.535 40.800 -0.337 0.000 0.943 308 D HN 0.497 nan 8.370 nan 0.000 0.514 309 F N -0.808 119.255 119.950 0.189 0.000 2.720 309 F HA 0.214 4.741 4.527 -0.000 0.000 0.301 309 F C 1.669 177.593 175.800 0.207 0.000 1.103 309 F CA 0.029 58.181 58.000 0.252 0.000 1.291 309 F CB 0.597 39.723 39.000 0.209 0.000 1.086 309 F HN -0.165 nan 8.300 nan 0.000 0.592 310 V N -1.307 118.749 119.914 0.236 0.000 3.054 310 V HA 0.022 4.142 4.120 -0.000 0.000 0.227 310 V C 1.751 177.967 176.094 0.205 0.000 1.252 310 V CA 0.588 62.997 62.300 0.183 0.000 1.279 310 V CB 0.089 31.838 31.823 -0.123 0.000 1.118 310 V HN -0.020 nan 8.190 nan 0.000 0.504 311 E N 0.696 120.953 120.200 0.095 0.000 2.072 311 E HA -0.082 4.267 4.350 -0.000 0.000 0.191 311 E C 1.305 178.014 176.600 0.182 0.000 0.985 311 E CA 1.018 57.485 56.400 0.113 0.000 0.801 311 E CB -0.084 29.654 29.700 0.063 0.000 0.750 311 E HN 0.422 nan 8.360 nan 0.000 0.452 312 S N -0.324 115.462 115.700 0.144 0.000 2.550 312 S HA 0.009 4.479 4.470 -0.000 0.000 0.285 312 S C 0.951 175.671 174.600 0.199 0.000 1.326 312 S CA 0.878 59.153 58.200 0.125 0.000 1.037 312 S CB 0.881 64.121 63.200 0.066 0.000 0.838 312 S HN 0.273 nan 8.310 nan 0.000 0.519 313 K N 1.553 122.037 120.400 0.141 0.000 2.353 313 K HA 0.186 4.506 4.320 -0.000 0.000 0.195 313 K C 0.939 177.605 176.600 0.110 0.000 1.031 313 K CA 0.676 57.056 56.287 0.155 0.000 1.079 313 K CB -0.216 32.332 32.500 0.080 0.000 0.857 313 K HN 0.765 nan 8.250 nan 0.000 0.535 314 D N 0.436 120.871 120.400 0.058 0.000 2.340 314 D HA 0.040 4.680 4.640 -0.000 0.000 0.220 314 D C 1.628 177.884 176.300 -0.072 0.000 1.039 314 D CA 0.290 54.286 54.000 -0.006 0.000 0.866 314 D CB 0.423 41.206 40.800 -0.028 0.000 0.913 314 D HN 0.142 nan 8.370 nan 0.000 0.523 315 V N 0.617 120.514 119.914 -0.028 0.000 2.220 315 V HA -0.366 3.754 4.120 -0.000 0.000 0.250 315 V C 2.627 178.571 176.094 -0.251 0.000 1.056 315 V CA 1.685 63.893 62.300 -0.153 0.000 1.016 315 V CB -0.813 30.881 31.823 -0.215 0.000 0.639 315 V HN 0.336 nan 8.190 nan 0.000 0.446 316 c N -0.073 118.466 118.600 -0.101 0.000 2.413 316 c HA -0.140 4.430 4.570 -0.000 0.000 0.277 316 c C 3.179 177.252 174.090 -0.028 0.000 1.265 316 c CA 1.411 57.728 56.329 -0.021 0.000 1.752 316 c CB -1.404 41.148 42.510 0.070 0.000 1.998 316 c HN 0.727 nan 8.230 nan 0.000 0.489 317 K N 1.105 121.466 120.400 -0.064 0.000 2.026 317 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 317 K C 1.595 178.107 176.600 -0.148 0.000 1.048 317 K CA 1.920 58.162 56.287 -0.076 0.000 0.929 317 K CB -1.020 31.448 32.500 -0.055 0.000 0.713 317 K HN 0.640 nan 8.250 nan 0.000 0.439 318 N N -0.817 117.720 118.700 -0.272 0.000 2.309 318 N HA -0.104 4.636 4.740 -0.000 0.000 0.182 318 N C 1.698 176.924 175.510 -0.473 0.000 1.018 318 N CA 1.415 54.232 53.050 -0.389 0.000 0.876 318 N CB -0.252 37.900 38.487 -0.559 0.000 0.972 318 N HN 0.624 nan 8.380 nan 0.000 0.434 319 Y N 1.727 121.634 120.300 -0.655 0.000 2.184 319 Y HA 0.025 4.575 4.550 0.000 0.000 0.290 319 Y C 2.333 178.162 175.900 -0.117 0.000 1.129 319 Y CA 1.255 59.143 58.100 -0.354 0.000 1.144 319 Y CB -0.499 37.812 38.460 -0.247 0.000 0.995 319 Y HN 0.033 nan 8.280 nan 0.000 0.513 320 A N 0.417 123.110 122.820 -0.212 0.000 1.930 320 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 320 A C 2.166 179.649 177.584 -0.169 0.000 1.175 320 A CA 2.077 53.975 52.037 -0.232 0.000 0.627 320 A CB -1.360 17.582 19.000 -0.097 0.000 0.815 320 A HN 0.565 nan 8.150 nan 0.000 0.443 321 E N -0.711 119.417 120.200 -0.120 0.000 2.106 321 E HA 0.312 4.662 4.350 -0.000 0.000 0.192 321 E C 1.033 177.603 176.600 -0.049 0.000 0.984 321 E CA 1.471 57.829 56.400 -0.071 0.000 0.806 321 E CB -0.486 29.182 29.700 -0.053 0.000 0.750 321 E HN 1.536 nan 8.360 nan 0.000 0.458 322 A N -0.334 122.459 122.820 -0.045 0.000 3.277 322 A HA 0.484 4.804 4.320 -0.000 0.000 0.281 322 A C 0.932 178.559 177.584 0.072 0.000 1.179 322 A CA 0.422 52.472 52.037 0.022 0.000 0.879 322 A CB 0.214 19.261 19.000 0.078 0.000 1.374 322 A HN 0.206 nan 8.150 nan 0.000 0.590 323 K N 0.770 121.139 120.400 -0.052 0.000 2.077 323 K HA -0.258 4.062 4.320 -0.000 0.000 0.213 323 K C 1.081 177.802 176.600 0.203 0.000 1.051 323 K CA 2.458 58.736 56.287 -0.015 0.000 0.929 323 K CB -0.064 32.290 32.500 -0.243 0.000 0.715 323 K HN 0.659 nan 8.250 nan 0.000 0.451 324 D N 0.069 120.557 120.400 0.146 0.000 2.097 324 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 324 D C 2.061 178.495 176.300 0.224 0.000 0.989 324 D CA 1.508 55.615 54.000 0.179 0.000 0.827 324 D CB -0.222 40.663 40.800 0.142 0.000 0.966 324 D HN 0.123 nan 8.370 nan 0.000 0.456 325 V N 1.058 121.108 119.914 0.227 0.000 2.358 325 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 325 V C 2.189 178.424 176.094 0.234 0.000 1.047 325 V CA 1.137 63.582 62.300 0.241 0.000 1.035 325 V CB -0.535 31.422 31.823 0.224 0.000 0.658 325 V HN 0.040 nan 8.190 nan 0.000 0.452 326 F N 0.464 120.508 119.950 0.157 0.000 2.075 326 F HA -0.163 4.364 4.527 -0.000 0.000 0.297 326 F C 2.098 178.089 175.800 0.319 0.000 1.113 326 F CA 1.651 59.793 58.000 0.237 0.000 1.218 326 F CB -0.447 38.724 39.000 0.285 0.000 0.984 326 F HN -0.002 nan 8.300 nan 0.000 0.472 327 L N -0.396 120.984 121.223 0.261 0.000 2.046 327 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 327 L C 2.765 179.720 176.870 0.141 0.000 1.077 327 L CA 1.344 56.292 54.840 0.179 0.000 0.747 327 L CB -1.559 40.653 42.059 0.256 0.000 0.896 327 L HN 0.340 nan 8.230 nan 0.000 0.432 328 G N -0.524 108.365 108.800 0.149 0.000 2.440 328 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.218 328 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.218 328 G C 1.641 176.520 174.900 -0.035 0.000 1.154 328 G CA 0.789 45.986 45.100 0.163 0.000 0.767 328 G HN 0.214 nan 8.290 nan 0.000 0.552 329 M N -0.798 118.626 119.600 -0.294 0.000 2.229 329 M HA 0.092 4.572 4.480 -0.000 0.000 0.264 329 M C 2.163 178.430 176.300 -0.056 0.000 1.063 329 M CA 1.026 56.073 55.300 -0.421 0.000 1.114 329 M CB -0.117 32.306 32.600 -0.294 0.000 1.387 329 M HN 0.319 nan 8.290 nan 0.000 0.420 330 F N 0.328 120.084 119.950 -0.325 0.000 2.146 330 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 330 F C 1.746 177.316 175.800 -0.384 0.000 1.096 330 F CA 1.235 58.780 58.000 -0.758 0.000 1.275 330 F CB -0.409 38.020 39.000 -0.952 0.000 1.008 330 F HN 0.043 nan 8.300 nan 0.000 0.480 331 L N 0.246 121.346 121.223 -0.206 0.000 1.970 331 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 331 L C 2.355 179.132 176.870 -0.155 0.000 1.071 331 L CA 2.360 57.080 54.840 -0.200 0.000 0.751 331 L CB -1.755 40.312 42.059 0.015 0.000 0.889 331 L HN 0.429 nan 8.230 nan 0.000 0.432 332 Y N 0.553 120.797 120.300 -0.094 0.000 2.102 332 Y HA -0.285 4.265 4.550 0.000 0.000 0.280 332 Y C 2.372 178.224 175.900 -0.080 0.000 1.178 332 Y CA 2.369 60.472 58.100 0.005 0.000 1.146 332 Y CB -0.344 38.238 38.460 0.203 0.000 0.968 332 Y HN 0.351 nan 8.280 nan 0.000 0.504 333 E N -0.954 119.032 120.200 -0.357 0.000 2.106 333 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 333 E C 2.049 178.380 176.600 -0.450 0.000 0.984 333 E CA 1.443 57.575 56.400 -0.446 0.000 0.806 333 E CB -0.713 28.870 29.700 -0.195 0.000 0.750 333 E HN 0.635 nan 8.360 nan 0.000 0.458 334 Y N 1.047 120.970 120.300 -0.630 0.000 2.243 334 Y HA -0.055 4.495 4.550 -0.000 0.000 0.293 334 Y C 2.338 178.035 175.900 -0.339 0.000 1.124 334 Y CA 1.075 58.846 58.100 -0.547 0.000 1.159 334 Y CB -0.370 37.548 38.460 -0.903 0.000 1.008 334 Y HN 0.004 nan 8.280 nan 0.000 0.527 335 A N 1.313 124.044 122.820 -0.149 0.000 1.851 335 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 335 A C 2.303 179.781 177.584 -0.176 0.000 1.195 335 A CA 2.345 54.308 52.037 -0.123 0.000 0.622 335 A CB -0.927 18.004 19.000 -0.115 0.000 0.831 335 A HN 0.584 nan 8.150 nan 0.000 0.444 336 R N -0.515 119.820 120.500 -0.275 0.000 2.211 336 R HA -0.116 4.224 4.340 -0.000 0.000 0.240 336 R C 1.649 177.778 176.300 -0.286 0.000 1.144 336 R CA 1.778 57.706 56.100 -0.285 0.000 0.992 336 R CB -0.362 29.679 30.300 -0.431 0.000 0.869 336 R HN 0.484 nan 8.270 nan 0.000 0.462 337 R N -0.377 119.918 120.500 -0.341 0.000 2.317 337 R HA 0.148 4.488 4.340 -0.000 0.000 0.208 337 R C 0.040 175.898 176.300 -0.738 0.000 0.914 337 R CA 0.200 56.015 56.100 -0.475 0.000 1.060 337 R CB 0.403 30.396 30.300 -0.512 0.000 1.015 337 R HN 0.340 nan 8.270 nan 0.000 0.498 338 H N 0.401 119.250 119.070 -0.370 0.000 2.379 338 H HA 0.152 4.708 4.556 -0.000 0.000 0.229 338 H C -1.987 173.156 175.328 -0.307 0.000 1.423 338 H CA -1.611 54.156 56.048 -0.468 0.000 1.375 338 H CB 1.426 30.714 29.762 -0.790 0.000 1.592 338 H HN 0.031 nan 8.280 nan 0.000 0.507 339 P HA -0.078 nan 4.420 nan 0.000 0.237 339 P C 0.780 178.040 177.300 -0.068 0.000 1.178 339 P CA 0.732 63.764 63.100 -0.113 0.000 0.766 339 P CB 0.364 31.989 31.700 -0.125 0.000 0.876 340 D N -2.367 117.998 120.400 -0.058 0.000 2.339 340 D HA -0.060 4.580 4.640 -0.000 0.000 0.217 340 D C 0.143 176.582 176.300 0.232 0.000 1.050 340 D CA 0.048 54.072 54.000 0.039 0.000 0.856 340 D CB -0.363 40.456 40.800 0.031 0.000 0.922 340 D HN 0.091 nan 8.370 nan 0.000 0.518 341 Y N 1.794 122.077 120.300 -0.028 0.000 2.387 341 Y HA 0.336 4.886 4.550 -0.000 0.000 0.330 341 Y C 1.045 176.871 175.900 -0.124 0.000 1.133 341 Y CA -2.443 55.607 58.100 -0.083 0.000 1.152 341 Y CB 1.591 39.986 38.460 -0.108 0.000 1.215 341 Y HN -0.124 nan 8.280 nan 0.000 0.466 342 S N 0.188 115.876 115.700 -0.020 0.000 2.603 342 S HA 0.274 4.744 4.470 -0.000 0.000 0.268 342 S C 0.923 175.403 174.600 -0.200 0.000 1.317 342 S CA -0.664 57.471 58.200 -0.109 0.000 1.012 342 S CB 1.027 64.146 63.200 -0.135 0.000 0.926 342 S HN 0.387 nan 8.310 nan 0.000 0.539 343 V N 2.204 121.946 119.914 -0.286 0.000 2.255 343 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 343 V C 2.695 178.416 176.094 -0.622 0.000 1.051 343 V CA 2.105 64.116 62.300 -0.483 0.000 1.018 343 V CB -1.505 29.887 31.823 -0.718 0.000 0.641 343 V HN 0.926 nan 8.190 nan 0.000 0.445 344 V N -0.946 118.570 119.914 -0.663 0.000 2.469 344 V HA -0.240 3.880 4.120 -0.000 0.000 0.251 344 V C 2.360 178.205 176.094 -0.415 0.000 1.064 344 V CA 2.245 64.190 62.300 -0.592 0.000 1.066 344 V CB -0.993 30.580 31.823 -0.418 0.000 0.667 344 V HN 0.473 nan 8.190 nan 0.000 0.461 345 L N -0.154 120.851 121.223 -0.364 0.000 2.027 345 L HA 0.030 4.370 4.340 -0.000 0.000 0.206 345 L C 2.327 178.948 176.870 -0.415 0.000 1.074 345 L CA 1.755 56.367 54.840 -0.380 0.000 0.745 345 L CB -0.558 41.247 42.059 -0.423 0.000 0.898 345 L HN 0.250 nan 8.230 nan 0.000 0.433 346 L N -0.942 120.067 121.223 -0.358 0.000 2.012 346 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 346 L C 2.521 179.169 176.870 -0.371 0.000 1.073 346 L CA 1.617 56.242 54.840 -0.358 0.000 0.748 346 L CB -0.599 41.306 42.059 -0.257 0.000 0.891 346 L HN 0.312 nan 8.230 nan 0.000 0.431 347 L N -1.051 119.961 121.223 -0.352 0.000 2.141 347 L HA -0.189 4.151 4.340 -0.000 0.000 0.209 347 L C 2.770 179.488 176.870 -0.254 0.000 1.094 347 L CA 1.069 55.742 54.840 -0.278 0.000 0.763 347 L CB -0.476 41.395 42.059 -0.312 0.000 0.908 347 L HN 0.205 nan 8.230 nan 0.000 0.437 348 R N 0.002 120.320 120.500 -0.304 0.000 2.075 348 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 348 R C 2.313 178.418 176.300 -0.325 0.000 1.126 348 R CA 1.122 57.059 56.100 -0.272 0.000 0.963 348 R CB -0.279 29.854 30.300 -0.279 0.000 0.858 348 R HN 0.318 nan 8.270 nan 0.000 0.435 349 L N -0.076 120.846 121.223 -0.502 0.000 2.046 349 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 349 L C 2.667 179.290 176.870 -0.413 0.000 1.077 349 L CA 1.266 55.621 54.840 -0.807 0.000 0.747 349 L CB -0.629 40.650 42.059 -1.300 0.000 0.896 349 L HN 0.243 nan 8.230 nan 0.000 0.432 350 A N -0.029 122.674 122.820 -0.195 0.000 1.933 350 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 350 A C 2.530 180.132 177.584 0.029 0.000 1.175 350 A CA 2.133 54.209 52.037 0.065 0.000 0.628 350 A CB -0.499 18.543 19.000 0.070 0.000 0.814 350 A HN 0.232 nan 8.150 nan 0.000 0.444 351 K N -0.764 119.611 120.400 -0.041 0.000 2.097 351 K HA -0.084 4.236 4.320 -0.000 0.000 0.205 351 K C 2.180 178.777 176.600 -0.004 0.000 1.050 351 K CA 2.029 58.305 56.287 -0.019 0.000 0.938 351 K CB -1.119 31.352 32.500 -0.048 0.000 0.718 351 K HN 0.701 nan 8.250 nan 0.000 0.442 352 T N -0.193 114.362 114.554 0.001 0.000 2.812 352 T HA -0.048 4.302 4.350 -0.000 0.000 0.264 352 T C 1.430 176.203 174.700 0.122 0.000 1.042 352 T CA 1.502 63.644 62.100 0.071 0.000 1.140 352 T CB -0.497 68.452 68.868 0.135 0.000 0.870 352 T HN 0.514 nan 8.240 nan 0.000 0.445 353 Y N 2.043 122.347 120.300 0.008 0.000 2.114 353 Y HA -0.133 4.417 4.550 -0.000 0.000 0.284 353 Y C 2.544 178.320 175.900 -0.206 0.000 1.143 353 Y CA 1.674 59.695 58.100 -0.133 0.000 1.135 353 Y CB -0.372 37.812 38.460 -0.459 0.000 0.980 353 Y HN 0.249 nan 8.280 nan 0.000 0.499 354 E N -0.948 119.153 120.200 -0.165 0.000 2.058 354 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 354 E C 1.946 178.432 176.600 -0.190 0.000 0.997 354 E CA 2.099 58.375 56.400 -0.207 0.000 0.801 354 E CB -0.189 29.514 29.700 0.006 0.000 0.746 354 E HN 0.501 nan 8.360 nan 0.000 0.450 355 T N 0.059 114.558 114.554 -0.091 0.000 2.759 355 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 355 T C 1.850 176.493 174.700 -0.095 0.000 1.042 355 T CA 1.721 63.787 62.100 -0.058 0.000 1.140 355 T CB -0.401 68.454 68.868 -0.021 0.000 0.864 355 T HN 0.230 nan 8.240 nan 0.000 0.455 356 T N 2.163 116.634 114.554 -0.138 0.000 2.821 356 T HA 0.119 4.469 4.350 -0.000 0.000 0.267 356 T C 1.960 176.529 174.700 -0.218 0.000 1.046 356 T CA 0.679 62.698 62.100 -0.136 0.000 1.139 356 T CB -0.312 68.494 68.868 -0.103 0.000 0.871 356 T HN 0.263 nan 8.240 nan 0.000 0.454 357 L N 0.665 121.621 121.223 -0.446 0.000 2.093 357 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 357 L C 2.763 179.454 176.870 -0.299 0.000 1.085 357 L CA 1.236 55.738 54.840 -0.563 0.000 0.755 357 L CB -0.499 40.858 42.059 -1.170 0.000 0.904 357 L HN 0.230 nan 8.230 nan 0.000 0.435 358 E N 1.197 121.284 120.200 -0.189 0.000 2.085 358 E HA -0.255 4.095 4.350 -0.000 0.000 0.194 358 E C 2.069 178.679 176.600 0.016 0.000 0.994 358 E CA 1.815 58.226 56.400 0.019 0.000 0.801 358 E CB 0.032 29.761 29.700 0.048 0.000 0.743 358 E HN 0.523 nan 8.360 nan 0.000 0.453 359 K N -1.356 119.035 120.400 -0.016 0.000 2.211 359 K HA 0.059 4.379 4.320 -0.000 0.000 0.201 359 K C 2.222 178.829 176.600 0.012 0.000 1.052 359 K CA 0.966 57.255 56.287 0.003 0.000 0.973 359 K CB -0.464 32.035 32.500 -0.002 0.000 0.766 359 K HN 0.095 nan 8.250 nan 0.000 0.466 360 c N 1.091 119.696 118.600 0.008 0.000 2.457 360 c HA 0.022 4.592 4.570 -0.000 0.000 0.278 360 c C 2.715 176.856 174.090 0.086 0.000 1.309 360 c CA 0.222 56.584 56.329 0.057 0.000 1.735 360 c CB -0.808 41.777 42.510 0.125 0.000 1.992 360 c HN 0.679 nan 8.230 nan 0.000 0.493 361 c N 0.639 119.278 118.600 0.065 0.000 2.448 361 c HA 0.079 4.649 4.570 -0.000 0.000 0.280 361 c C 2.834 176.967 174.090 0.072 0.000 1.398 361 c CA 0.979 57.361 56.329 0.088 0.000 1.774 361 c CB -1.478 41.087 42.510 0.093 0.000 1.888 361 c HN 0.703 nan 8.230 nan 0.000 0.519 362 A N 0.280 123.134 122.820 0.056 0.000 2.169 362 A HA 0.526 4.846 4.320 -0.000 0.000 0.212 362 A C 1.360 178.963 177.584 0.033 0.000 1.153 362 A CA 0.913 52.976 52.037 0.043 0.000 0.756 362 A CB -0.303 18.720 19.000 0.039 0.000 0.813 362 A HN 0.510 nan 8.150 nan 0.000 0.471 363 A N -0.790 122.050 122.820 0.034 0.000 2.251 363 A HA 0.639 4.959 4.320 -0.000 0.000 0.278 363 A C 1.695 179.291 177.584 0.020 0.000 1.206 363 A CA 0.301 52.352 52.037 0.023 0.000 0.822 363 A CB -0.356 18.655 19.000 0.019 0.000 1.187 363 A HN 0.933 nan 8.150 nan 0.000 0.504 364 A N -0.698 122.128 122.820 0.010 0.000 1.819 364 A HA 0.085 4.405 4.320 -0.000 0.000 0.215 364 A C 0.839 178.427 177.584 0.005 0.000 1.226 364 A CA 1.803 53.843 52.037 0.006 0.000 0.608 364 A CB -0.555 18.445 19.000 -0.001 0.000 0.877 364 A HN 0.731 nan 8.150 nan 0.000 0.452 365 D N -0.846 119.551 120.400 -0.004 0.000 2.443 365 D HA 0.423 5.063 4.640 -0.000 0.000 0.221 365 D C -1.979 174.305 176.300 -0.026 0.000 1.097 365 D CA -2.103 51.890 54.000 -0.012 0.000 0.865 365 D CB 1.266 42.054 40.800 -0.020 0.000 1.034 365 D HN -0.040 nan 8.370 nan 0.000 0.511 366 P HA -0.169 nan 4.420 nan 0.000 0.212 366 P C 1.445 178.500 177.300 -0.409 0.000 1.180 366 P CA 0.948 64.040 63.100 -0.013 0.000 0.906 366 P CB -0.065 31.742 31.700 0.179 0.000 0.782 367 H N 0.232 118.962 119.070 -0.568 0.000 2.407 367 H HA -0.252 4.304 4.556 -0.000 0.000 0.293 367 H C 1.726 176.660 175.328 -0.658 0.000 1.122 367 H CA 2.799 58.333 56.048 -0.856 0.000 1.232 367 H CB -0.458 29.098 29.762 -0.344 0.000 1.361 367 H HN 0.147 nan 8.280 nan 0.000 0.498 368 E N 0.623 120.728 120.200 -0.157 0.000 2.046 368 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 368 E C 2.708 179.187 176.600 -0.202 0.000 0.982 368 E CA 0.946 57.285 56.400 -0.101 0.000 0.800 368 E CB -1.447 28.247 29.700 -0.010 0.000 0.756 368 E HN 0.641 nan 8.360 nan 0.000 0.449 369 c N 0.599 119.088 118.600 -0.184 0.000 2.413 369 c HA -0.115 4.455 4.570 -0.000 0.000 0.277 369 c C 2.531 176.574 174.090 -0.078 0.000 1.228 369 c CA 1.479 57.748 56.329 -0.100 0.000 1.731 369 c CB -1.218 41.271 42.510 -0.035 0.000 2.042 369 c HN 0.836 nan 8.230 nan 0.000 0.468 370 Y N 0.900 121.143 120.300 -0.094 0.000 2.470 370 Y HA 0.597 5.147 4.550 -0.000 0.000 0.302 370 Y C 1.689 177.506 175.900 -0.138 0.000 1.194 370 Y CA 0.040 58.074 58.100 -0.110 0.000 1.271 370 Y CB -1.377 37.008 38.460 -0.125 0.000 1.092 370 Y HN 0.227 nan 8.280 nan 0.000 0.513 371 A N 0.779 123.447 122.820 -0.253 0.000 1.969 371 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 371 A C 1.766 179.278 177.584 -0.121 0.000 1.169 371 A CA 1.157 53.021 52.037 -0.289 0.000 0.635 371 A CB -0.341 18.431 19.000 -0.379 0.000 0.810 371 A HN 0.238 nan 8.150 nan 0.000 0.445 372 K N -0.697 119.668 120.400 -0.059 0.000 2.593 372 K HA 0.315 4.635 4.320 -0.000 0.000 0.208 372 K C 1.130 177.735 176.600 0.009 0.000 1.051 372 K CA 0.387 56.660 56.287 -0.024 0.000 1.111 372 K CB -0.188 32.300 32.500 -0.019 0.000 0.849 372 K HN 0.359 nan 8.250 nan 0.000 0.479 373 V N 0.102 120.037 119.914 0.035 0.000 2.392 373 V HA -0.204 3.916 4.120 -0.000 0.000 0.249 373 V C 1.546 177.531 176.094 -0.181 0.000 1.059 373 V CA 2.019 64.321 62.300 0.004 0.000 1.051 373 V CB -0.542 31.346 31.823 0.108 0.000 0.658 373 V HN 0.530 nan 8.190 nan 0.000 0.455 374 F N 0.926 120.609 119.950 -0.445 0.000 2.234 374 F HA -0.065 4.462 4.527 -0.000 0.000 0.299 374 F C 2.097 177.771 175.800 -0.209 0.000 1.087 374 F CA 1.662 59.341 58.000 -0.534 0.000 1.340 374 F CB -1.033 37.842 39.000 -0.208 0.000 1.031 374 F HN 0.318 nan 8.300 nan 0.000 0.500 375 D N -0.417 120.029 120.400 0.076 0.000 2.263 375 D HA -0.155 4.484 4.640 -0.000 0.000 0.208 375 D C 1.999 178.341 176.300 0.069 0.000 0.971 375 D CA 0.954 54.998 54.000 0.073 0.000 0.867 375 D CB -0.178 40.652 40.800 0.049 0.000 0.929 375 D HN 0.331 nan 8.370 nan 0.000 0.492 376 E N -1.064 119.168 120.200 0.053 0.000 2.371 376 E HA -0.061 4.289 4.350 -0.000 0.000 0.194 376 E C 1.012 177.764 176.600 0.254 0.000 1.012 376 E CA 0.207 56.675 56.400 0.113 0.000 0.860 376 E CB 0.149 29.910 29.700 0.103 0.000 0.811 376 E HN 0.205 nan 8.360 nan 0.000 0.502 377 F N 0.827 120.755 119.950 -0.037 0.000 2.325 377 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 377 F C 2.286 178.024 175.800 -0.104 0.000 1.090 377 F CA 0.586 58.512 58.000 -0.123 0.000 1.392 377 F CB -0.773 38.098 39.000 -0.214 0.000 1.053 377 F HN -0.127 nan 8.300 nan 0.000 0.521 378 K N 0.178 120.669 120.400 0.152 0.000 2.015 378 K HA -0.182 4.138 4.320 -0.000 0.000 0.216 378 K C -0.206 176.401 176.600 0.011 0.000 1.052 378 K CA 1.799 58.129 56.287 0.070 0.000 0.937 378 K CB -2.021 30.520 32.500 0.070 0.000 0.719 378 K HN 0.266 nan 8.250 nan 0.000 0.446 379 P HA -0.065 nan 4.420 nan 0.000 0.215 379 P C 1.475 178.737 177.300 -0.063 0.000 1.157 379 P CA 1.175 64.263 63.100 -0.019 0.000 0.868 379 P CB -0.153 31.543 31.700 -0.006 0.000 0.788 380 L N -1.466 119.705 121.223 -0.086 0.000 2.131 380 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 380 L C 2.246 178.981 176.870 -0.224 0.000 1.092 380 L CA 1.151 55.896 54.840 -0.159 0.000 0.759 380 L CB -0.981 40.952 42.059 -0.210 0.000 0.903 380 L HN -0.109 nan 8.230 nan 0.000 0.435 381 V N -0.511 119.264 119.914 -0.231 0.000 2.488 381 V HA -0.158 3.962 4.120 -0.000 0.000 0.246 381 V C 2.278 178.252 176.094 -0.200 0.000 1.046 381 V CA 1.381 63.493 62.300 -0.312 0.000 1.053 381 V CB -0.267 31.375 31.823 -0.301 0.000 0.679 381 V HN 0.426 nan 8.190 nan 0.000 0.458 382 E N -0.274 119.857 120.200 -0.115 0.000 2.152 382 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 382 E C 2.232 178.790 176.600 -0.070 0.000 0.983 382 E CA 0.709 57.067 56.400 -0.071 0.000 0.818 382 E CB -0.072 29.606 29.700 -0.036 0.000 0.758 382 E HN 0.515 nan 8.360 nan 0.000 0.467 383 E N 1.229 121.381 120.200 -0.080 0.000 2.033 383 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 383 E C -0.596 175.964 176.600 -0.067 0.000 1.011 383 E CA 1.682 58.042 56.400 -0.066 0.000 0.815 383 E CB -0.920 28.737 29.700 -0.073 0.000 0.755 383 E HN 0.177 nan 8.360 nan 0.000 0.451 384 P HA -0.134 nan 4.420 nan 0.000 0.218 384 P C 1.406 178.667 177.300 -0.065 0.000 1.149 384 P CA 1.389 64.438 63.100 -0.085 0.000 0.817 384 P CB -0.192 31.430 31.700 -0.131 0.000 0.785 385 Q N -0.265 119.491 119.800 -0.074 0.000 2.084 385 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 385 Q C 1.944 177.932 176.000 -0.021 0.000 0.978 385 Q CA 1.485 57.261 55.803 -0.045 0.000 0.844 385 Q CB -0.510 28.203 28.738 -0.042 0.000 0.898 385 Q HN 0.297 nan 8.270 nan 0.000 0.426 386 N N 0.038 118.725 118.700 -0.021 0.000 2.354 386 N HA -0.069 4.671 4.740 -0.000 0.000 0.179 386 N C 1.334 176.846 175.510 0.003 0.000 1.021 386 N CA 0.332 53.379 53.050 -0.006 0.000 0.887 386 N CB 0.057 38.540 38.487 -0.007 0.000 0.974 386 N HN 0.070 nan 8.380 nan 0.000 0.437 387 L N 0.569 121.792 121.223 0.000 0.000 2.044 387 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 387 L C 1.660 178.546 176.870 0.027 0.000 1.075 387 L CA 1.239 56.090 54.840 0.017 0.000 0.747 387 L CB -0.402 41.665 42.059 0.013 0.000 0.903 387 L HN 0.091 nan 8.230 nan 0.000 0.435 388 I N -0.424 120.153 120.570 0.011 0.000 2.163 388 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 388 I C 2.718 178.841 176.117 0.010 0.000 1.085 388 I CA 1.471 62.777 61.300 0.009 0.000 1.347 388 I CB -1.467 36.529 38.000 -0.006 0.000 1.044 388 I HN 0.253 nan 8.210 nan 0.000 0.408 389 K N 0.564 120.969 120.400 0.009 0.000 2.063 389 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 389 K C 2.350 178.963 176.600 0.022 0.000 1.048 389 K CA 1.747 58.041 56.287 0.011 0.000 0.928 389 K CB -0.576 31.930 32.500 0.010 0.000 0.713 389 K HN 0.534 nan 8.250 nan 0.000 0.442 390 Q N 0.232 120.050 119.800 0.031 0.000 2.016 390 Q HA 0.026 4.366 4.340 -0.000 0.000 0.200 390 Q C 2.334 178.376 176.000 0.070 0.000 0.978 390 Q CA 1.733 57.563 55.803 0.046 0.000 0.833 390 Q CB -0.792 27.975 28.738 0.048 0.000 0.895 390 Q HN 0.705 nan 8.270 nan 0.000 0.427 391 N N -0.308 118.444 118.700 0.086 0.000 2.381 391 N HA -0.075 4.665 4.740 -0.000 0.000 0.182 391 N C 1.739 177.278 175.510 0.048 0.000 1.025 391 N CA 1.215 54.348 53.050 0.138 0.000 0.888 391 N CB -0.276 38.325 38.487 0.190 0.000 0.965 391 N HN 0.353 nan 8.380 nan 0.000 0.438 392 c N 0.407 119.009 118.600 0.002 0.000 2.475 392 c HA -0.046 4.524 4.570 -0.000 0.000 0.279 392 c C 2.890 176.993 174.090 0.021 0.000 1.322 392 c CA 0.455 56.761 56.329 -0.038 0.000 1.734 392 c CB -0.640 41.843 42.510 -0.044 0.000 2.005 392 c HN 0.525 nan 8.230 nan 0.000 0.495 393 E N 0.704 120.921 120.200 0.029 0.000 2.038 393 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 393 E C 1.950 178.575 176.600 0.041 0.000 1.000 393 E CA 1.618 58.037 56.400 0.032 0.000 0.803 393 E CB -0.767 28.952 29.700 0.031 0.000 0.750 393 E HN 0.573 nan 8.360 nan 0.000 0.448 394 L N -0.334 120.929 121.223 0.068 0.000 2.043 394 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 394 L C 2.258 179.157 176.870 0.050 0.000 1.075 394 L CA 2.450 57.349 54.840 0.099 0.000 0.752 394 L CB -0.874 41.307 42.059 0.203 0.000 0.891 394 L HN 0.436 nan 8.230 nan 0.000 0.432 395 F N 0.759 120.552 119.950 -0.262 0.000 2.051 395 F HA -0.226 4.301 4.527 -0.000 0.000 0.296 395 F C 2.408 178.073 175.800 -0.224 0.000 1.122 395 F CA 2.082 59.789 58.000 -0.487 0.000 1.201 395 F CB -0.409 38.176 39.000 -0.691 0.000 0.978 395 F HN 0.193 nan 8.300 nan 0.000 0.472 396 E N -0.803 119.404 120.200 0.011 0.000 2.284 396 E HA -0.309 4.041 4.350 -0.000 0.000 0.200 396 E C 2.095 178.638 176.600 -0.096 0.000 1.008 396 E CA 1.343 57.722 56.400 -0.035 0.000 0.829 396 E CB -0.256 29.455 29.700 0.018 0.000 0.744 396 E HN 0.404 nan 8.360 nan 0.000 0.491 397 Q N -0.120 119.627 119.800 -0.088 0.000 2.259 397 Q HA 0.065 4.405 4.340 -0.000 0.000 0.201 397 Q C 2.016 177.964 176.000 -0.086 0.000 0.938 397 Q CA 0.362 56.128 55.803 -0.062 0.000 0.872 397 Q CB 0.111 28.839 28.738 -0.017 0.000 0.971 397 Q HN 0.413 nan 8.270 nan 0.000 0.494 398 L N -0.739 120.408 121.223 -0.128 0.000 2.463 398 L HA 0.434 4.774 4.340 -0.000 0.000 0.219 398 L C 1.375 178.131 176.870 -0.189 0.000 1.088 398 L CA 0.441 55.219 54.840 -0.103 0.000 0.849 398 L CB -0.051 42.005 42.059 -0.007 0.000 1.012 398 L HN 0.545 nan 8.230 nan 0.000 0.468 399 G N 0.808 109.349 108.800 -0.433 0.000 2.781 399 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.683 399 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.683 399 G C 0.318 174.877 174.900 -0.568 0.000 1.390 399 G CA 0.118 44.929 45.100 -0.482 0.000 0.850 399 G HN 0.275 nan 8.290 nan 0.000 0.557 400 E N -0.723 119.252 120.200 -0.375 0.000 2.085 400 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 400 E C 1.974 178.676 176.600 0.171 0.000 0.994 400 E CA 2.000 58.398 56.400 -0.002 0.000 0.801 400 E CB -0.152 29.676 29.700 0.213 0.000 0.743 400 E HN 0.662 nan 8.360 nan 0.000 0.453 401 Y N 1.375 121.687 120.300 0.021 0.000 2.089 401 Y HA -0.231 4.319 4.550 -0.000 0.000 0.282 401 Y C 2.495 178.429 175.900 0.056 0.000 1.139 401 Y CA 2.238 60.364 58.100 0.044 0.000 1.123 401 Y CB -0.516 37.954 38.460 0.016 0.000 0.980 401 Y HN -0.157 nan 8.280 nan 0.000 0.493 402 K N -0.125 120.229 120.400 -0.078 0.000 2.103 402 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 402 K C 1.940 178.508 176.600 -0.053 0.000 1.048 402 K CA 1.390 57.592 56.287 -0.143 0.000 0.930 402 K CB -1.413 31.082 32.500 -0.008 0.000 0.716 402 K HN 0.544 nan 8.250 nan 0.000 0.444 403 F N 2.138 122.016 119.950 -0.120 0.000 2.102 403 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 403 F C 2.370 178.169 175.800 -0.001 0.000 1.105 403 F CA 1.628 59.620 58.000 -0.013 0.000 1.239 403 F CB -0.419 38.644 39.000 0.105 0.000 0.991 403 F HN 0.167 nan 8.300 nan 0.000 0.474 404 Q N -0.169 119.653 119.800 0.037 0.000 2.181 404 Q HA -0.226 4.114 4.340 -0.000 0.000 0.205 404 Q C 1.807 177.695 176.000 -0.185 0.000 0.980 404 Q CA 1.531 57.285 55.803 -0.081 0.000 0.862 404 Q CB -0.389 28.349 28.738 -0.001 0.000 0.905 404 Q HN 0.431 nan 8.270 nan 0.000 0.429 405 N N 0.599 119.152 118.700 -0.245 0.000 2.171 405 N HA -0.082 4.658 4.740 -0.000 0.000 0.184 405 N C 1.643 177.054 175.510 -0.166 0.000 1.021 405 N CA 1.273 54.185 53.050 -0.230 0.000 0.854 405 N CB -0.366 37.934 38.487 -0.311 0.000 0.994 405 N HN 0.239 nan 8.380 nan 0.000 0.426 406 A N 1.270 123.983 122.820 -0.177 0.000 1.902 406 A HA -0.053 4.266 4.320 -0.000 0.000 0.217 406 A C 2.333 179.816 177.584 -0.169 0.000 1.181 406 A CA 0.935 52.880 52.037 -0.153 0.000 0.623 406 A CB -0.752 18.160 19.000 -0.147 0.000 0.818 406 A HN 0.213 nan 8.150 nan 0.000 0.443 407 L N -0.793 120.272 121.223 -0.264 0.000 2.093 407 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 407 L C 2.563 179.416 176.870 -0.028 0.000 1.085 407 L CA 0.844 55.584 54.840 -0.167 0.000 0.755 407 L CB -0.467 41.417 42.059 -0.292 0.000 0.904 407 L HN 0.387 nan 8.230 nan 0.000 0.435 408 L N -0.901 120.275 121.223 -0.078 0.000 2.046 408 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 408 L C 2.487 179.351 176.870 -0.010 0.000 1.077 408 L CA 1.053 55.870 54.840 -0.038 0.000 0.747 408 L CB -0.383 41.639 42.059 -0.061 0.000 0.896 408 L HN 0.084 nan 8.230 nan 0.000 0.432 409 V N -0.743 119.151 119.914 -0.033 0.000 2.358 409 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 409 V C 2.661 178.737 176.094 -0.029 0.000 1.047 409 V CA 1.395 63.677 62.300 -0.029 0.000 1.035 409 V CB -0.678 31.123 31.823 -0.037 0.000 0.658 409 V HN 0.394 nan 8.190 nan 0.000 0.452 410 R N -0.612 119.872 120.500 -0.027 0.000 2.080 410 R HA -0.163 4.177 4.340 -0.000 0.000 0.236 410 R C 2.237 178.459 176.300 -0.130 0.000 1.137 410 R CA 1.958 58.019 56.100 -0.065 0.000 0.943 410 R CB -0.953 29.321 30.300 -0.043 0.000 0.846 410 R HN 0.528 nan 8.270 nan 0.000 0.431 411 Y N 1.018 121.266 120.300 -0.086 0.000 2.242 411 Y HA -0.140 4.410 4.550 -0.000 0.000 0.291 411 Y C 2.688 178.540 175.900 -0.081 0.000 1.137 411 Y CA 1.575 59.627 58.100 -0.080 0.000 1.181 411 Y CB -0.590 37.805 38.460 -0.108 0.000 0.989 411 Y HN 0.093 nan 8.280 nan 0.000 0.527 412 T N -0.116 114.454 114.554 0.027 0.000 2.746 412 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 412 T C 1.808 176.444 174.700 -0.107 0.000 1.039 412 T CA 1.580 63.656 62.100 -0.040 0.000 1.142 412 T CB -0.164 68.686 68.868 -0.032 0.000 0.866 412 T HN 0.291 nan 8.240 nan 0.000 0.444 413 K N 0.808 121.151 120.400 -0.096 0.000 2.097 413 K HA -0.032 4.288 4.320 -0.000 0.000 0.205 413 K C 2.403 178.923 176.600 -0.133 0.000 1.050 413 K CA 1.028 57.250 56.287 -0.109 0.000 0.938 413 K CB -0.050 32.402 32.500 -0.079 0.000 0.718 413 K HN 0.244 nan 8.250 nan 0.000 0.442 414 K N 0.452 120.757 120.400 -0.157 0.000 2.002 414 K HA -0.094 4.225 4.320 -0.000 0.000 0.209 414 K C 0.950 177.482 176.600 -0.113 0.000 1.048 414 K CA 1.352 57.544 56.287 -0.159 0.000 0.930 414 K CB 0.210 32.554 32.500 -0.260 0.000 0.714 414 K HN 0.063 nan 8.250 nan 0.000 0.438 415 V N -2.215 117.638 119.914 -0.100 0.000 2.384 415 V HA 0.281 4.401 4.120 -0.000 0.000 0.257 415 V C -2.631 173.375 176.094 -0.148 0.000 0.969 415 V CA -1.605 60.645 62.300 -0.083 0.000 0.910 415 V CB 1.091 32.918 31.823 0.006 0.000 1.150 415 V HN -0.047 nan 8.190 nan 0.000 0.481 416 P HA -0.140 nan 4.420 nan 0.000 0.220 416 P C 1.385 178.463 177.300 -0.369 0.000 1.144 416 P CA 1.436 64.205 63.100 -0.551 0.000 0.800 416 P CB 0.245 31.081 31.700 -1.439 0.000 0.772 417 Q N -1.087 118.597 119.800 -0.193 0.000 2.172 417 Q HA -0.004 4.336 4.340 -0.000 0.000 0.200 417 Q C 0.635 176.658 176.000 0.039 0.000 0.964 417 Q CA 0.409 56.208 55.803 -0.007 0.000 0.855 417 Q CB -0.915 27.863 28.738 0.067 0.000 0.918 417 Q HN 0.093 nan 8.270 nan 0.000 0.444 418 V N 2.276 122.212 119.914 0.037 0.000 2.814 418 V HA -0.067 4.053 4.120 -0.000 0.000 0.307 418 V C 0.604 176.726 176.094 0.047 0.000 1.089 418 V CA 0.066 62.412 62.300 0.076 0.000 1.212 418 V CB 0.604 32.466 31.823 0.065 0.000 0.912 418 V HN 0.405 nan 8.190 nan 0.000 0.497 419 S N 3.376 119.108 115.700 0.053 0.000 2.552 419 S HA -0.018 4.452 4.470 -0.000 0.000 0.289 419 S C 1.286 175.900 174.600 0.023 0.000 1.304 419 S CA 0.277 58.498 58.200 0.034 0.000 1.063 419 S CB 0.867 64.084 63.200 0.027 0.000 0.848 419 S HN 0.819 nan 8.310 nan 0.000 0.499 420 T N 5.042 119.609 114.554 0.021 0.000 2.699 420 T HA -0.057 4.293 4.350 -0.000 0.000 0.268 420 T C -0.916 173.790 174.700 0.009 0.000 1.036 420 T CA 2.004 64.114 62.100 0.016 0.000 1.147 420 T CB -1.466 67.415 68.868 0.022 0.000 0.862 420 T HN 0.628 nan 8.240 nan 0.000 0.446 421 P HA -0.030 nan 4.420 nan 0.000 0.215 421 P C 1.695 178.992 177.300 -0.004 0.000 1.157 421 P CA 1.146 64.248 63.100 0.004 0.000 0.863 421 P CB -0.212 31.491 31.700 0.005 0.000 0.787 422 T N -0.266 114.287 114.554 -0.002 0.000 2.708 422 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 422 T C 1.736 176.416 174.700 -0.033 0.000 1.037 422 T CA 1.117 63.209 62.100 -0.013 0.000 1.146 422 T CB -0.959 67.913 68.868 0.006 0.000 0.865 422 T HN 0.028 nan 8.240 nan 0.000 0.435 423 L N 0.600 121.810 121.223 -0.023 0.000 2.046 423 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 423 L C 2.658 179.496 176.870 -0.053 0.000 1.077 423 L CA 0.911 55.728 54.840 -0.037 0.000 0.747 423 L CB -0.673 41.380 42.059 -0.010 0.000 0.896 423 L HN 0.146 nan 8.230 nan 0.000 0.432 424 V N -0.023 119.873 119.914 -0.030 0.000 2.295 424 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 424 V C 2.496 178.570 176.094 -0.034 0.000 1.049 424 V CA 2.185 64.470 62.300 -0.025 0.000 1.024 424 V CB -0.451 31.370 31.823 -0.003 0.000 0.648 424 V HN 0.532 nan 8.190 nan 0.000 0.447 425 E N -0.094 120.085 120.200 -0.034 0.000 2.072 425 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 425 E C 2.174 178.731 176.600 -0.072 0.000 0.985 425 E CA 1.613 57.992 56.400 -0.036 0.000 0.801 425 E CB -0.005 29.679 29.700 -0.027 0.000 0.750 425 E HN 0.404 nan 8.360 nan 0.000 0.452 426 V N 0.656 120.500 119.914 -0.116 0.000 2.358 426 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 426 V C 2.371 178.323 176.094 -0.237 0.000 1.047 426 V CA 1.872 64.055 62.300 -0.194 0.000 1.035 426 V CB -0.356 31.317 31.823 -0.251 0.000 0.658 426 V HN 0.253 nan 8.190 nan 0.000 0.452 427 S N -0.340 115.231 115.700 -0.215 0.000 2.383 427 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 427 S C 2.068 176.599 174.600 -0.116 0.000 1.026 427 S CA 1.270 59.339 58.200 -0.219 0.000 0.981 427 S CB -0.267 62.839 63.200 -0.157 0.000 0.818 427 S HN 0.554 nan 8.310 nan 0.000 0.472 428 R N 1.552 122.018 120.500 -0.056 0.000 2.066 428 R HA 0.036 4.376 4.340 -0.000 0.000 0.232 428 R C 1.903 178.228 176.300 0.041 0.000 1.131 428 R CA 1.268 57.377 56.100 0.015 0.000 0.955 428 R CB -0.462 29.858 30.300 0.033 0.000 0.851 428 R HN 0.347 nan 8.270 nan 0.000 0.432 429 N N 1.134 119.836 118.700 0.002 0.000 2.166 429 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 429 N C 1.960 177.500 175.510 0.050 0.000 1.019 429 N CA 1.061 54.128 53.050 0.028 0.000 0.856 429 N CB -0.237 38.221 38.487 -0.048 0.000 0.993 429 N HN 0.187 nan 8.380 nan 0.000 0.426 430 L N 0.381 121.576 121.223 -0.046 0.000 2.083 430 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 430 L C 2.397 179.341 176.870 0.123 0.000 1.083 430 L CA 1.330 56.149 54.840 -0.034 0.000 0.752 430 L CB -0.804 41.127 42.059 -0.214 0.000 0.899 430 L HN 0.218 nan 8.230 nan 0.000 0.433 431 G N -0.222 108.670 108.800 0.153 0.000 2.448 431 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 431 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 431 G C 1.795 176.905 174.900 0.350 0.000 1.127 431 G CA 1.014 46.359 45.100 0.408 0.000 0.766 431 G HN 0.407 nan 8.290 nan 0.000 0.552 432 K N 0.487 121.022 120.400 0.225 0.000 2.504 432 K HA 0.341 4.661 4.320 -0.000 0.000 0.195 432 K C 2.279 178.884 176.600 0.008 0.000 1.036 432 K CA 1.092 57.468 56.287 0.149 0.000 0.984 432 K CB -0.544 32.063 32.500 0.179 0.000 0.788 432 K HN 0.280 nan 8.250 nan 0.000 0.488 433 V N 0.377 120.326 119.914 0.059 0.000 2.453 433 V HA -0.079 4.041 4.120 -0.000 0.000 0.247 433 V C 2.786 178.680 176.094 -0.333 0.000 1.048 433 V CA 1.541 63.811 62.300 -0.050 0.000 1.049 433 V CB -0.613 31.305 31.823 0.158 0.000 0.672 433 V HN 0.607 nan 8.190 nan 0.000 0.457 434 G N 0.983 109.417 108.800 -0.610 0.000 2.459 434 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.217 434 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.217 434 G C 1.853 175.990 174.900 -1.272 0.000 1.183 434 G CA 1.475 45.666 45.100 -1.515 0.000 0.776 434 G HN 0.632 nan 8.290 nan 0.000 0.552 435 S N 0.340 115.571 115.700 -0.781 0.000 2.402 435 S HA -0.032 4.438 4.470 -0.000 0.000 0.229 435 S C 2.023 176.499 174.600 -0.207 0.000 1.021 435 S CA 1.575 59.677 58.200 -0.163 0.000 0.974 435 S CB -0.140 63.148 63.200 0.147 0.000 0.800 435 S HN 0.495 nan 8.310 nan 0.000 0.484 436 K N 0.114 120.350 120.400 -0.273 0.000 2.243 436 K HA 0.123 4.443 4.320 -0.000 0.000 0.201 436 K C 1.342 177.768 176.600 -0.290 0.000 1.051 436 K CA 1.064 57.182 56.287 -0.282 0.000 0.970 436 K CB -0.084 32.185 32.500 -0.386 0.000 0.755 436 K HN 0.470 nan 8.250 nan 0.000 0.465 437 c N -0.729 117.703 118.600 -0.281 0.000 2.628 437 c HA 0.164 4.734 4.570 -0.000 0.000 0.393 437 c C 2.468 176.470 174.090 -0.146 0.000 1.328 437 c CA -0.489 55.757 56.329 -0.139 0.000 2.079 437 c CB -0.385 42.071 42.510 -0.090 0.000 2.663 437 c HN 0.594 nan 8.230 nan 0.000 0.557 438 c N 1.700 120.158 118.600 -0.237 0.000 2.419 438 c HA -0.047 4.523 4.570 -0.000 0.000 0.283 438 c C 3.084 177.101 174.090 -0.122 0.000 1.373 438 c CA 1.815 58.043 56.329 -0.167 0.000 1.781 438 c CB -1.437 40.945 42.510 -0.213 0.000 1.886 438 c HN 0.753 nan 8.230 nan 0.000 0.520 439 K N 0.171 120.451 120.400 -0.200 0.000 2.097 439 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 439 K C 0.877 177.394 176.600 -0.138 0.000 1.049 439 K CA 1.213 57.392 56.287 -0.182 0.000 0.933 439 K CB -0.934 31.412 32.500 -0.257 0.000 0.717 439 K HN 0.709 nan 8.250 nan 0.000 0.442 440 H N 0.620 119.660 119.070 -0.050 0.000 2.913 440 H HA 0.133 4.689 4.556 -0.000 0.000 0.365 440 H C -2.256 173.053 175.328 -0.031 0.000 1.155 440 H CA -1.751 54.272 56.048 -0.040 0.000 1.417 440 H CB 0.386 30.119 29.762 -0.048 0.000 1.386 440 H HN 0.196 nan 8.280 nan 0.000 0.614 441 P HA 0.020 nan 4.420 nan 0.000 0.279 441 P C 0.893 178.219 177.300 0.043 0.000 1.239 441 P CA -0.481 62.654 63.100 0.057 0.000 0.789 441 P CB 0.786 32.509 31.700 0.038 0.000 0.933 442 E N 2.685 122.902 120.200 0.029 0.000 2.301 442 E HA -0.354 3.996 4.350 -0.000 0.000 0.224 442 E C 1.567 178.178 176.600 0.019 0.000 1.092 442 E CA 2.452 58.865 56.400 0.022 0.000 0.913 442 E CB -1.826 27.885 29.700 0.019 0.000 0.776 442 E HN 0.540 nan 8.360 nan 0.000 0.465 443 A N 0.946 123.773 122.820 0.012 0.000 2.070 443 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 443 A C 2.111 179.682 177.584 -0.020 0.000 1.159 443 A CA 1.789 53.826 52.037 0.001 0.000 0.656 443 A CB -0.343 18.650 19.000 -0.012 0.000 0.800 443 A HN 0.250 nan 8.150 nan 0.000 0.453 444 K N -1.462 118.914 120.400 -0.039 0.000 2.438 444 K HA 0.202 4.522 4.320 -0.000 0.000 0.206 444 K C 1.673 178.221 176.600 -0.086 0.000 1.081 444 K CA -0.211 56.011 56.287 -0.108 0.000 1.053 444 K CB 0.194 32.548 32.500 -0.242 0.000 0.908 444 K HN 0.353 nan 8.250 nan 0.000 0.556 445 R N 0.265 120.760 120.500 -0.008 0.000 2.081 445 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 445 R C 2.193 178.491 176.300 -0.003 0.000 1.131 445 R CA 1.722 57.833 56.100 0.018 0.000 0.960 445 R CB -0.165 30.146 30.300 0.019 0.000 0.856 445 R HN 0.225 nan 8.270 nan 0.000 0.436 446 M N 0.799 120.393 119.600 -0.010 0.000 2.067 446 M HA -0.093 4.387 4.480 -0.000 0.000 0.260 446 M C -0.973 175.312 176.300 -0.025 0.000 1.069 446 M CA 1.920 57.208 55.300 -0.020 0.000 1.117 446 M CB -0.570 32.018 32.600 -0.021 0.000 1.334 446 M HN -0.068 nan 8.290 nan 0.000 0.407 447 P HA -0.141 nan 4.420 nan 0.000 0.216 447 P C 1.696 178.987 177.300 -0.015 0.000 1.153 447 P CA 1.242 64.320 63.100 -0.036 0.000 0.848 447 P CB -0.311 31.357 31.700 -0.053 0.000 0.787 448 c N -0.281 118.305 118.600 -0.024 0.000 2.413 448 c HA -0.123 4.447 4.570 -0.000 0.000 0.278 448 c C 2.824 176.943 174.090 0.048 0.000 1.224 448 c CA 1.851 58.183 56.329 0.005 0.000 1.732 448 c CB -1.623 40.902 42.510 0.025 0.000 2.050 448 c HN 0.213 nan 8.230 nan 0.000 0.463 449 A N -0.237 122.603 122.820 0.034 0.000 1.845 449 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 449 A C 2.135 179.768 177.584 0.081 0.000 1.195 449 A CA 1.935 54.004 52.037 0.053 0.000 0.616 449 A CB -0.957 18.053 19.000 0.017 0.000 0.832 449 A HN 0.776 nan 8.150 nan 0.000 0.443 450 E N -0.481 119.740 120.200 0.035 0.000 2.106 450 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 450 E C 1.243 177.874 176.600 0.053 0.000 0.984 450 E CA 1.146 57.559 56.400 0.022 0.000 0.806 450 E CB -0.140 29.538 29.700 -0.038 0.000 0.750 450 E HN 0.543 nan 8.360 nan 0.000 0.458 451 D N -0.439 120.004 120.400 0.072 0.000 2.234 451 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 451 D C 1.532 177.924 176.300 0.152 0.000 0.962 451 D CA 0.643 54.718 54.000 0.125 0.000 0.855 451 D CB -0.105 40.763 40.800 0.113 0.000 0.951 451 D HN 0.207 nan 8.370 nan 0.000 0.500 452 Y N 1.280 121.590 120.300 0.016 0.000 2.286 452 Y HA 0.018 4.568 4.550 -0.000 0.000 0.293 452 Y C 2.136 178.033 175.900 -0.004 0.000 1.124 452 Y CA 0.741 58.843 58.100 0.003 0.000 1.178 452 Y CB -0.226 38.230 38.460 -0.007 0.000 1.010 452 Y HN -0.140 nan 8.280 nan 0.000 0.536 453 L N -1.145 120.110 121.223 0.054 0.000 2.131 453 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 453 L C 2.419 179.258 176.870 -0.051 0.000 1.092 453 L CA 1.367 56.193 54.840 -0.023 0.000 0.759 453 L CB -0.572 41.508 42.059 0.036 0.000 0.903 453 L HN 0.095 nan 8.230 nan 0.000 0.435 454 S N -0.619 115.085 115.700 0.007 0.000 2.356 454 S HA -0.148 4.322 4.470 -0.000 0.000 0.223 454 S C 2.044 176.613 174.600 -0.051 0.000 1.032 454 S CA 1.193 59.419 58.200 0.043 0.000 1.005 454 S CB -0.211 63.103 63.200 0.190 0.000 0.867 454 S HN 0.157 nan 8.310 nan 0.000 0.449 455 V N 1.594 121.436 119.914 -0.120 0.000 2.295 455 V HA -0.143 3.977 4.120 -0.000 0.000 0.246 455 V C 2.331 178.277 176.094 -0.246 0.000 1.049 455 V CA 1.540 63.720 62.300 -0.200 0.000 1.024 455 V CB -0.707 30.963 31.823 -0.255 0.000 0.648 455 V HN 0.341 nan 8.190 nan 0.000 0.447 456 V N -0.341 119.372 119.914 -0.335 0.000 2.358 456 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 456 V C 2.277 178.227 176.094 -0.239 0.000 1.047 456 V CA 1.737 63.855 62.300 -0.304 0.000 1.035 456 V CB -0.561 31.055 31.823 -0.346 0.000 0.658 456 V HN 0.440 nan 8.190 nan 0.000 0.452 457 L N 0.465 121.562 121.223 -0.209 0.000 2.191 457 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 457 L C 2.376 179.170 176.870 -0.126 0.000 1.103 457 L CA 1.756 56.466 54.840 -0.216 0.000 0.769 457 L CB -0.678 41.309 42.059 -0.120 0.000 0.908 457 L HN 0.452 nan 8.230 nan 0.000 0.438 458 N N -0.701 117.944 118.700 -0.092 0.000 2.244 458 N HA -0.199 4.541 4.740 -0.000 0.000 0.183 458 N C 1.946 177.410 175.510 -0.078 0.000 1.016 458 N CA 1.014 54.030 53.050 -0.057 0.000 0.866 458 N CB 0.086 38.526 38.487 -0.077 0.000 0.980 458 N HN 0.059 nan 8.380 nan 0.000 0.430 459 Q N -0.225 119.507 119.800 -0.114 0.000 2.050 459 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 459 Q C 2.138 178.090 176.000 -0.079 0.000 0.980 459 Q CA 1.357 57.101 55.803 -0.097 0.000 0.840 459 Q CB -0.824 27.845 28.738 -0.114 0.000 0.898 459 Q HN 0.611 nan 8.270 nan 0.000 0.424 460 L N 0.113 121.264 121.223 -0.119 0.000 2.042 460 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 460 L C 2.418 179.283 176.870 -0.009 0.000 1.076 460 L CA 2.223 56.999 54.840 -0.107 0.000 0.749 460 L CB -1.235 40.675 42.059 -0.249 0.000 0.893 460 L HN 0.505 nan 8.230 nan 0.000 0.432 461 c N -1.210 117.396 118.600 0.010 0.000 2.436 461 c HA -0.130 4.440 4.570 -0.000 0.000 0.277 461 c C 2.892 177.036 174.090 0.089 0.000 1.241 461 c CA 1.103 57.487 56.329 0.092 0.000 1.721 461 c CB -1.143 41.433 42.510 0.109 0.000 2.043 461 c HN 0.638 nan 8.230 nan 0.000 0.472 462 V N 0.484 120.412 119.914 0.023 0.000 2.307 462 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 462 V C 2.141 178.246 176.094 0.018 0.000 1.045 462 V CA 2.045 64.344 62.300 -0.003 0.000 1.024 462 V CB -1.154 30.630 31.823 -0.065 0.000 0.651 462 V HN 0.587 nan 8.190 nan 0.000 0.449 463 L N 0.025 121.260 121.223 0.020 0.000 2.079 463 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 463 L C 2.790 179.690 176.870 0.050 0.000 1.081 463 L CA 2.493 57.347 54.840 0.023 0.000 0.752 463 L CB -1.061 41.007 42.059 0.014 0.000 0.896 463 L HN 0.501 nan 8.230 nan 0.000 0.433 464 H N 0.091 119.158 119.070 -0.005 0.000 2.357 464 H HA -0.183 4.373 4.556 -0.000 0.000 0.301 464 H C 2.243 177.577 175.328 0.010 0.000 1.082 464 H CA 1.739 57.794 56.048 0.011 0.000 1.342 464 H CB 0.143 29.926 29.762 0.034 0.000 1.389 464 H HN 0.256 nan 8.280 nan 0.000 0.511 465 E N 0.078 120.309 120.200 0.052 0.000 2.171 465 E HA -0.273 4.077 4.350 -0.000 0.000 0.197 465 E C 2.384 178.941 176.600 -0.072 0.000 0.997 465 E CA 1.580 57.975 56.400 -0.010 0.000 0.810 465 E CB -0.058 29.651 29.700 0.016 0.000 0.738 465 E HN 0.624 nan 8.360 nan 0.000 0.467 466 K N 0.261 120.622 120.400 -0.065 0.000 1.978 466 K HA -0.126 4.194 4.320 -0.000 0.000 0.214 466 K C 1.595 178.140 176.600 -0.092 0.000 1.049 466 K CA 1.941 58.193 56.287 -0.059 0.000 0.939 466 K CB -1.309 31.168 32.500 -0.039 0.000 0.721 466 K HN 0.336 nan 8.250 nan 0.000 0.441 467 T N -0.524 113.945 114.554 -0.141 0.000 3.150 467 T HA 0.514 4.864 4.350 -0.000 0.000 0.383 467 T C -3.115 171.412 174.700 -0.289 0.000 1.313 467 T CA -2.019 59.990 62.100 -0.152 0.000 1.235 467 T CB 1.180 69.991 68.868 -0.094 0.000 1.088 467 T HN 0.099 nan 8.240 nan 0.000 0.556 468 P HA 0.176 nan 4.420 nan 0.000 0.262 468 P C 0.403 177.577 177.300 -0.209 0.000 1.182 468 P CA -0.209 62.618 63.100 -0.454 0.000 0.761 468 P CB 1.211 32.819 31.700 -0.155 0.000 0.795 469 V N 1.919 121.785 119.914 -0.080 0.000 3.400 469 V HA 0.165 4.285 4.120 -0.000 0.000 0.281 469 V C -0.046 176.162 176.094 0.191 0.000 1.617 469 V CA 0.468 62.817 62.300 0.082 0.000 1.044 469 V CB 0.558 32.417 31.823 0.060 0.000 0.858 469 V HN 0.537 nan 8.190 nan 0.000 0.425 470 S N 0.115 116.029 115.700 0.356 0.000 2.707 470 S HA 0.347 4.817 4.470 -0.000 0.000 0.303 470 S C 0.442 175.126 174.600 0.140 0.000 1.132 470 S CA -0.445 57.868 58.200 0.189 0.000 1.046 470 S CB 1.346 64.604 63.200 0.097 0.000 1.004 470 S HN 0.403 nan 8.310 nan 0.000 0.483 471 D N 3.904 124.355 120.400 0.084 0.000 2.218 471 D HA -0.070 4.570 4.640 -0.000 0.000 0.204 471 D C 1.638 177.941 176.300 0.005 0.000 0.976 471 D CA 1.003 55.034 54.000 0.053 0.000 0.853 471 D CB 0.167 40.987 40.800 0.034 0.000 0.939 471 D HN 0.568 nan 8.370 nan 0.000 0.481 472 R N 0.274 120.763 120.500 -0.018 0.000 2.115 472 R HA -0.025 4.315 4.340 -0.000 0.000 0.226 472 R C 2.420 178.651 176.300 -0.116 0.000 1.100 472 R CA 0.318 56.376 56.100 -0.070 0.000 0.980 472 R CB -0.090 30.174 30.300 -0.061 0.000 0.875 472 R HN 0.025 nan 8.270 nan 0.000 0.445 473 V N 0.129 119.981 119.914 -0.104 0.000 2.379 473 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 473 V C 1.990 178.025 176.094 -0.099 0.000 1.044 473 V CA 2.065 64.288 62.300 -0.129 0.000 1.036 473 V CB -0.354 31.117 31.823 -0.587 0.000 0.664 473 V HN 0.380 nan 8.190 nan 0.000 0.453 474 T N -0.225 114.302 114.554 -0.045 0.000 2.684 474 T HA -0.284 4.066 4.350 -0.000 0.000 0.267 474 T C 1.946 176.653 174.700 0.012 0.000 1.036 474 T CA 2.107 64.243 62.100 0.060 0.000 1.148 474 T CB -0.211 68.725 68.868 0.113 0.000 0.863 474 T HN 0.463 nan 8.240 nan 0.000 0.436 475 K N 0.133 120.512 120.400 -0.035 0.000 2.026 475 K HA -0.089 4.231 4.320 -0.000 0.000 0.208 475 K C 2.466 179.006 176.600 -0.100 0.000 1.048 475 K CA 1.422 57.676 56.287 -0.055 0.000 0.929 475 K CB -0.459 31.998 32.500 -0.070 0.000 0.713 475 K HN 0.298 nan 8.250 nan 0.000 0.439 476 c N 0.430 118.893 118.600 -0.229 0.000 2.422 476 c HA -0.079 4.491 4.570 -0.000 0.000 0.279 476 c C 2.803 176.816 174.090 -0.129 0.000 1.305 476 c CA 0.430 56.538 56.329 -0.370 0.000 1.757 476 c CB -0.926 40.945 42.510 -1.066 0.000 1.962 476 c HN 0.675 nan 8.230 nan 0.000 0.499 477 c N 0.242 118.851 118.600 0.015 0.000 2.475 477 c HA -0.033 4.537 4.570 -0.000 0.000 0.279 477 c C 2.847 177.066 174.090 0.215 0.000 1.322 477 c CA 1.765 58.196 56.329 0.169 0.000 1.734 477 c CB -1.399 41.219 42.510 0.180 0.000 2.005 477 c HN 0.816 nan 8.230 nan 0.000 0.495 478 T N -1.713 112.924 114.554 0.139 0.000 3.037 478 T HA -0.017 4.333 4.350 -0.000 0.000 0.252 478 T C 1.533 176.352 174.700 0.198 0.000 1.073 478 T CA 0.921 63.105 62.100 0.140 0.000 1.091 478 T CB -0.317 68.573 68.868 0.037 0.000 0.935 478 T HN 0.621 nan 8.240 nan 0.000 0.488 479 E N 1.389 121.667 120.200 0.130 0.000 2.110 479 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 479 E C 0.343 177.027 176.600 0.140 0.000 0.988 479 E CA 0.913 57.374 56.400 0.101 0.000 0.804 479 E CB 0.104 29.818 29.700 0.023 0.000 0.745 479 E HN 0.478 nan 8.360 nan 0.000 0.458 480 S N -0.981 114.800 115.700 0.135 0.000 2.605 480 S HA 0.107 4.577 4.470 -0.000 0.000 0.279 480 S C 0.043 174.545 174.600 -0.164 0.000 1.166 480 S CA -0.789 57.418 58.200 0.012 0.000 0.975 480 S CB 1.073 64.257 63.200 -0.028 0.000 1.111 480 S HN 0.208 nan 8.310 nan 0.000 0.465 481 L N 6.123 126.948 121.223 -0.664 0.000 1.989 481 L HA 0.078 4.418 4.340 -0.000 0.000 0.211 481 L C 2.107 178.855 176.870 -0.203 0.000 1.071 481 L CA 2.310 56.695 54.840 -0.758 0.000 0.749 481 L CB -0.838 40.433 42.059 -1.313 0.000 0.890 481 L HN 0.686 nan 8.230 nan 0.000 0.431 482 V N -0.124 119.691 119.914 -0.166 0.000 2.594 482 V HA -0.243 3.877 4.120 -0.000 0.000 0.253 482 V C 1.593 177.626 176.094 -0.101 0.000 1.069 482 V CA 2.001 64.229 62.300 -0.120 0.000 1.082 482 V CB -0.974 30.744 31.823 -0.176 0.000 0.680 482 V HN 0.563 nan 8.190 nan 0.000 0.469 483 N N -0.892 117.758 118.700 -0.084 0.000 2.268 483 N HA 0.128 4.868 4.740 -0.000 0.000 0.204 483 N C 1.635 177.129 175.510 -0.026 0.000 1.124 483 N CA -0.269 52.744 53.050 -0.063 0.000 0.838 483 N CB 0.146 38.590 38.487 -0.070 0.000 0.994 483 N HN 0.363 nan 8.380 nan 0.000 0.489 484 R N 0.814 121.325 120.500 0.019 0.000 2.097 484 R HA -0.100 4.240 4.340 -0.000 0.000 0.236 484 R C 2.126 178.537 176.300 0.186 0.000 1.135 484 R CA 1.200 57.364 56.100 0.107 0.000 0.934 484 R CB -0.145 30.268 30.300 0.188 0.000 0.846 484 R HN 0.173 nan 8.270 nan 0.000 0.431 485 R N 0.591 121.181 120.500 0.151 0.000 2.091 485 R HA -0.092 4.248 4.340 -0.000 0.000 0.238 485 R C -0.889 175.479 176.300 0.115 0.000 1.136 485 R CA 1.613 57.810 56.100 0.161 0.000 0.959 485 R CB -1.206 29.144 30.300 0.084 0.000 0.856 485 R HN 0.214 nan 8.270 nan 0.000 0.437 486 P HA -0.017 nan 4.420 nan 0.000 0.222 486 P C 1.553 178.838 177.300 -0.025 0.000 1.153 486 P CA 0.552 63.650 63.100 -0.002 0.000 0.798 486 P CB -0.165 31.511 31.700 -0.040 0.000 0.796 487 c N -1.523 117.041 118.600 -0.060 0.000 2.462 487 c HA -0.107 4.463 4.570 -0.000 0.000 0.278 487 c C 2.351 176.316 174.090 -0.208 0.000 1.253 487 c CA 0.698 56.926 56.329 -0.169 0.000 1.713 487 c CB -1.981 40.370 42.510 -0.265 0.000 2.049 487 c HN 0.063 nan 8.230 nan 0.000 0.477 488 F N 1.398 121.337 119.950 -0.017 0.000 2.134 488 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 488 F C 2.826 178.577 175.800 -0.081 0.000 1.097 488 F CA 1.965 59.946 58.000 -0.031 0.000 1.264 488 F CB -0.894 38.155 39.000 0.082 0.000 1.001 488 F HN 0.140 nan 8.300 nan 0.000 0.479 489 S N -0.368 115.408 115.700 0.127 0.000 2.399 489 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 489 S C 2.273 176.861 174.600 -0.019 0.000 1.022 489 S CA 0.961 59.189 58.200 0.046 0.000 0.983 489 S CB -0.563 62.668 63.200 0.051 0.000 0.803 489 S HN 0.364 nan 8.310 nan 0.000 0.480 490 A N 0.746 123.544 122.820 -0.038 0.000 2.066 490 A HA 0.192 4.512 4.320 -0.000 0.000 0.218 490 A C 0.850 178.390 177.584 -0.073 0.000 1.157 490 A CA 0.461 52.464 52.037 -0.057 0.000 0.670 490 A CB -0.374 18.586 19.000 -0.066 0.000 0.804 490 A HN 0.421 nan 8.150 nan 0.000 0.453 491 L N -0.405 120.763 121.223 -0.092 0.000 2.426 491 L HA 0.195 4.535 4.340 -0.000 0.000 0.271 491 L C 1.311 178.117 176.870 -0.107 0.000 1.169 491 L CA -0.288 54.490 54.840 -0.103 0.000 0.836 491 L CB 0.781 42.770 42.059 -0.116 0.000 1.112 491 L HN 0.338 nan 8.230 nan 0.000 0.465 492 E N 1.661 121.807 120.200 -0.089 0.000 2.592 492 E HA 0.278 4.628 4.350 -0.000 0.000 0.184 492 E C -0.913 175.636 176.600 -0.084 0.000 1.056 492 E CA 0.321 56.672 56.400 -0.083 0.000 1.151 492 E CB 0.778 30.444 29.700 -0.056 0.000 1.435 492 E HN 0.268 nan 8.360 nan 0.000 0.496 493 V N 1.974 121.851 119.914 -0.062 0.000 2.733 493 V HA 0.234 4.354 4.120 -0.000 0.000 0.306 493 V C -1.292 174.782 176.094 -0.033 0.000 1.084 493 V CA -1.100 61.170 62.300 -0.051 0.000 0.905 493 V CB 1.759 33.564 31.823 -0.030 0.000 1.010 493 V HN 0.263 nan 8.190 nan 0.000 0.424 494 D N 3.121 123.502 120.400 -0.031 0.000 2.344 494 D HA 0.118 4.758 4.640 -0.000 0.000 0.253 494 D C 0.987 177.317 176.300 0.050 0.000 1.255 494 D CA 0.146 54.147 54.000 0.002 0.000 0.894 494 D CB 1.153 41.949 40.800 -0.007 0.000 1.067 494 D HN 0.683 nan 8.370 nan 0.000 0.492 495 E N 1.187 121.406 120.200 0.032 0.000 2.427 495 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 495 E C 1.418 178.045 176.600 0.045 0.000 1.028 495 E CA 0.659 57.080 56.400 0.035 0.000 0.864 495 E CB 0.228 29.936 29.700 0.012 0.000 0.813 495 E HN 0.532 nan 8.360 nan 0.000 0.514 496 T N -2.084 112.507 114.554 0.062 0.000 3.086 496 T HA -0.020 4.330 4.350 -0.000 0.000 0.250 496 T C 0.207 174.958 174.700 0.085 0.000 1.074 496 T CA -0.478 61.653 62.100 0.053 0.000 0.988 496 T CB -0.270 68.623 68.868 0.041 0.000 0.988 496 T HN 0.071 nan 8.240 nan 0.000 0.530 497 Y N 3.803 124.095 120.300 -0.013 0.000 2.436 497 Y HA 0.445 4.995 4.550 -0.000 0.000 0.336 497 Y C -0.043 175.847 175.900 -0.017 0.000 1.049 497 Y CA -1.829 56.264 58.100 -0.011 0.000 1.294 497 Y CB 0.614 39.068 38.460 -0.011 0.000 1.179 497 Y HN 0.186 nan 8.280 nan 0.000 0.520 498 V N 6.487 126.036 119.914 -0.608 0.000 2.383 498 V HA 0.523 4.643 4.120 -0.000 0.000 0.275 498 V C -2.529 173.019 176.094 -0.910 0.000 1.036 498 V CA -2.463 59.509 62.300 -0.547 0.000 0.889 498 V CB 0.531 32.181 31.823 -0.288 0.000 0.985 498 V HN 0.702 nan 8.190 nan 0.000 0.459 499 P HA 0.348 nan 4.420 nan 0.000 0.267 499 P C 0.029 177.190 177.300 -0.231 0.000 1.200 499 P CA 0.453 63.294 63.100 -0.431 0.000 0.772 499 P CB 0.291 31.800 31.700 -0.317 0.000 0.855 500 K N 0.819 121.198 120.400 -0.036 0.000 2.098 500 K HA 0.646 4.965 4.320 -0.000 0.000 0.261 500 K C 0.408 177.134 176.600 0.210 0.000 0.987 500 K CA -0.332 55.992 56.287 0.063 0.000 0.916 500 K CB -0.286 32.272 32.500 0.096 0.000 1.039 500 K HN 0.642 nan 8.250 nan 0.000 0.455 501 E N -0.460 119.811 120.200 0.119 0.000 2.366 501 E HA 0.532 4.882 4.350 -0.000 0.000 0.266 501 E C 0.454 177.057 176.600 0.004 0.000 1.051 501 E CA -0.222 56.232 56.400 0.091 0.000 0.884 501 E CB -0.302 29.420 29.700 0.037 0.000 1.006 501 E HN 1.679 nan 8.360 nan 0.000 0.417 502 F N 2.232 122.096 119.950 -0.142 0.000 2.628 502 F HA 0.365 4.892 4.527 -0.000 0.000 0.362 502 F C 0.851 176.609 175.800 -0.070 0.000 1.148 502 F CA 0.201 58.099 58.000 -0.170 0.000 1.352 502 F CB 0.078 38.936 39.000 -0.237 0.000 1.081 502 F HN 0.815 nan 8.300 nan 0.000 0.605 503 N N 2.545 121.215 118.700 -0.049 0.000 2.504 503 N HA 0.481 5.221 4.740 -0.000 0.000 0.280 503 N C 0.484 175.981 175.510 -0.022 0.000 1.052 503 N CA 0.135 53.170 53.050 -0.024 0.000 0.887 503 N CB 1.239 39.723 38.487 -0.005 0.000 1.323 503 N HN 1.027 nan 8.380 nan 0.000 0.509 504 A N 3.044 125.851 122.820 -0.021 0.000 1.893 504 A HA -0.376 3.944 4.320 -0.000 0.000 0.222 504 A C 2.166 179.744 177.584 -0.009 0.000 1.309 504 A CA 3.499 55.527 52.037 -0.016 0.000 0.681 504 A CB -1.644 17.349 19.000 -0.012 0.000 0.842 504 A HN 0.934 nan 8.150 nan 0.000 0.468 505 E N -1.664 118.534 120.200 -0.004 0.000 2.147 505 E HA -0.252 4.098 4.350 -0.000 0.000 0.199 505 E C 1.946 178.547 176.600 0.003 0.000 1.005 505 E CA 2.284 58.684 56.400 0.000 0.000 0.810 505 E CB -1.750 27.952 29.700 0.003 0.000 0.736 505 E HN 0.695 nan 8.360 nan 0.000 0.460 506 T N -1.946 112.609 114.554 0.002 0.000 3.023 506 T HA 0.212 4.562 4.350 -0.000 0.000 0.266 506 T C 1.499 176.202 174.700 0.005 0.000 1.093 506 T CA 1.263 63.367 62.100 0.007 0.000 1.129 506 T CB -0.184 68.690 68.868 0.010 0.000 0.899 506 T HN 0.683 nan 8.240 nan 0.000 0.491 507 F N 0.882 120.831 119.950 -0.001 0.000 2.653 507 F HA 0.393 4.920 4.527 -0.000 0.000 0.304 507 F C 1.188 176.989 175.800 0.002 0.000 1.092 507 F CA -0.697 57.302 58.000 -0.001 0.000 1.279 507 F CB -0.721 38.273 39.000 -0.011 0.000 1.044 507 F HN 0.041 nan 8.300 nan 0.000 0.564 508 T N 1.824 116.379 114.554 0.002 0.000 2.729 508 T HA 0.514 4.864 4.350 -0.000 0.000 0.296 508 T C -0.370 174.334 174.700 0.007 0.000 0.928 508 T CA 0.379 62.481 62.100 0.003 0.000 1.045 508 T CB -0.574 68.296 68.868 0.002 0.000 0.902 508 T HN 0.626 nan 8.240 nan 0.000 0.500 509 F N 0.600 120.555 119.950 0.007 0.000 2.415 509 F HA 0.730 5.257 4.527 -0.000 0.000 0.348 509 F C 0.508 176.313 175.800 0.008 0.000 1.119 509 F CA -1.534 56.472 58.000 0.009 0.000 1.069 509 F CB -0.593 38.414 39.000 0.011 0.000 1.124 509 F HN 1.087 nan 8.300 nan 0.000 0.472 510 H N 0.390 119.465 119.070 0.008 0.000 2.748 510 H HA 0.812 5.368 4.556 -0.000 0.000 0.315 510 H C 1.355 176.687 175.328 0.007 0.000 1.429 510 H CA 0.073 56.126 56.048 0.007 0.000 1.444 510 H CB 1.130 30.897 29.762 0.007 0.000 1.827 510 H HN 1.518 nan 8.280 nan 0.000 0.754 511 A N -0.786 122.038 122.820 0.007 0.000 2.119 511 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 511 A C 2.161 179.749 177.584 0.007 0.000 1.153 511 A CA 1.789 53.830 52.037 0.006 0.000 0.692 511 A CB -1.477 17.527 19.000 0.006 0.000 0.799 511 A HN 1.092 nan 8.150 nan 0.000 0.458 512 D N -0.553 119.852 120.400 0.008 0.000 2.271 512 D HA 0.053 4.693 4.640 -0.000 0.000 0.207 512 D C 1.457 177.763 176.300 0.009 0.000 0.983 512 D CA 1.856 55.861 54.000 0.009 0.000 0.878 512 D CB -1.014 39.791 40.800 0.009 0.000 0.920 512 D HN 0.944 nan 8.370 nan 0.000 0.479 513 I N -0.753 119.823 120.570 0.009 0.000 3.686 513 I HA 0.377 4.547 4.170 -0.000 0.000 0.308 513 I C 1.968 178.089 176.117 0.007 0.000 1.254 513 I CA 0.705 62.011 61.300 0.009 0.000 1.175 513 I CB -1.407 36.600 38.000 0.011 0.000 1.009 513 I HN 0.607 nan 8.210 nan 0.000 0.459 514 c N -1.965 116.639 118.600 0.006 0.000 3.580 514 c HA 0.182 4.752 4.570 -0.000 0.000 0.337 514 c C 2.422 176.514 174.090 0.004 0.000 1.412 514 c CA 0.867 57.198 56.329 0.004 0.000 1.797 514 c CB -0.581 41.931 42.510 0.003 0.000 2.470 514 c HN 0.689 nan 8.230 nan 0.000 0.691 515 T N 1.332 115.889 114.554 0.006 0.000 3.060 515 T HA 0.258 4.608 4.350 -0.000 0.000 0.249 515 T C 0.356 175.060 174.700 0.008 0.000 1.079 515 T CA 0.363 62.467 62.100 0.007 0.000 1.013 515 T CB -0.295 68.578 68.868 0.008 0.000 0.975 515 T HN 0.299 nan 8.240 nan 0.000 0.518 516 L N 2.249 123.477 121.223 0.007 0.000 2.360 516 L HA 0.693 5.033 4.340 -0.000 0.000 0.271 516 L C 0.606 177.479 176.870 0.005 0.000 1.057 516 L CA -1.623 53.222 54.840 0.009 0.000 0.803 516 L CB -0.051 42.015 42.059 0.011 0.000 1.207 516 L HN 0.063 nan 8.230 nan 0.000 0.445 517 S N -1.044 114.660 115.700 0.007 0.000 2.560 517 S HA -0.026 4.444 4.470 -0.000 0.000 0.276 517 S C 1.171 175.768 174.600 -0.004 0.000 1.350 517 S CA 0.353 58.554 58.200 0.003 0.000 1.024 517 S CB 0.366 63.571 63.200 0.008 0.000 0.864 517 S HN 0.769 nan 8.310 nan 0.000 0.536 518 E N 2.145 122.337 120.200 -0.014 0.000 2.209 518 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 518 E C 2.326 178.907 176.600 -0.032 0.000 0.993 518 E CA 2.000 58.381 56.400 -0.032 0.000 0.819 518 E CB -1.256 28.417 29.700 -0.044 0.000 0.745 518 E HN 0.886 nan 8.360 nan 0.000 0.477 519 K N 0.370 120.763 120.400 -0.012 0.000 2.021 519 K HA 0.061 4.381 4.320 -0.000 0.000 0.205 519 K C 2.063 178.676 176.600 0.021 0.000 1.047 519 K CA 1.594 57.884 56.287 0.006 0.000 0.943 519 K CB -0.994 31.517 32.500 0.019 0.000 0.725 519 K HN 0.377 nan 8.250 nan 0.000 0.439 520 E N 0.424 120.636 120.200 0.020 0.000 2.331 520 E HA -0.120 4.230 4.350 -0.000 0.000 0.199 520 E C 2.260 178.875 176.600 0.025 0.000 1.008 520 E CA 1.668 58.083 56.400 0.025 0.000 0.843 520 E CB -0.220 29.492 29.700 0.021 0.000 0.761 520 E HN 0.545 nan 8.360 nan 0.000 0.507 521 R N 0.341 120.850 120.500 0.016 0.000 2.075 521 R HA 0.020 4.360 4.340 -0.000 0.000 0.226 521 R C 2.202 178.521 176.300 0.032 0.000 1.114 521 R CA 1.554 57.663 56.100 0.015 0.000 0.972 521 R CB -1.083 29.215 30.300 -0.004 0.000 0.869 521 R HN 0.383 nan 8.270 nan 0.000 0.437 522 Q N 0.035 119.856 119.800 0.035 0.000 2.167 522 Q HA 0.073 4.412 4.340 -0.000 0.000 0.202 522 Q C 2.168 178.251 176.000 0.138 0.000 0.970 522 Q CA 1.397 57.264 55.803 0.107 0.000 0.855 522 Q CB -0.156 28.649 28.738 0.112 0.000 0.911 522 Q HN 0.603 nan 8.270 nan 0.000 0.438 523 I N 0.662 121.287 120.570 0.091 0.000 2.493 523 I HA -0.243 3.927 4.170 -0.000 0.000 0.254 523 I C 2.085 178.236 176.117 0.058 0.000 1.160 523 I CA 0.839 62.183 61.300 0.073 0.000 1.445 523 I CB -0.160 37.872 38.000 0.054 0.000 1.086 523 I HN 0.085 nan 8.210 nan 0.000 0.433 524 K N 0.795 121.227 120.400 0.053 0.000 2.076 524 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 524 K C 2.315 178.945 176.600 0.050 0.000 1.051 524 K CA 0.820 57.132 56.287 0.043 0.000 0.949 524 K CB -0.224 32.297 32.500 0.034 0.000 0.726 524 K HN 0.164 nan 8.250 nan 0.000 0.443 525 K N 1.188 121.630 120.400 0.069 0.000 2.097 525 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 525 K C 2.289 178.932 176.600 0.071 0.000 1.050 525 K CA 1.065 57.399 56.287 0.079 0.000 0.938 525 K CB -0.359 32.213 32.500 0.120 0.000 0.718 525 K HN 0.403 nan 8.250 nan 0.000 0.442 526 Q N -0.096 119.750 119.800 0.076 0.000 2.123 526 Q HA -0.034 4.306 4.340 -0.000 0.000 0.199 526 Q C 2.237 178.253 176.000 0.027 0.000 0.966 526 Q CA 1.634 57.462 55.803 0.041 0.000 0.845 526 Q CB -0.241 28.523 28.738 0.042 0.000 0.907 526 Q HN 0.412 nan 8.270 nan 0.000 0.439 527 T N 0.694 115.268 114.554 0.033 0.000 2.881 527 T HA -0.104 4.246 4.350 -0.000 0.000 0.270 527 T C 1.762 176.478 174.700 0.028 0.000 1.068 527 T CA 1.061 63.176 62.100 0.027 0.000 1.131 527 T CB -0.089 68.795 68.868 0.027 0.000 0.871 527 T HN 0.361 nan 8.240 nan 0.000 0.479 528 A N 1.172 124.010 122.820 0.031 0.000 1.898 528 A HA 0.120 4.440 4.320 -0.000 0.000 0.214 528 A C 2.142 179.745 177.584 0.031 0.000 1.183 528 A CA 0.743 52.798 52.037 0.031 0.000 0.622 528 A CB -0.727 18.292 19.000 0.032 0.000 0.824 528 A HN 0.383 nan 8.150 nan 0.000 0.444 529 L N 0.257 121.496 121.223 0.027 0.000 2.043 529 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 529 L C 2.380 179.262 176.870 0.020 0.000 1.075 529 L CA 1.915 56.766 54.840 0.019 0.000 0.752 529 L CB -0.634 41.427 42.059 0.002 0.000 0.891 529 L HN 0.169 nan 8.230 nan 0.000 0.432 530 V N -0.329 119.595 119.914 0.017 0.000 2.295 530 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 530 V C 2.623 178.738 176.094 0.036 0.000 1.049 530 V CA 1.798 64.108 62.300 0.017 0.000 1.024 530 V CB -0.633 31.198 31.823 0.012 0.000 0.648 530 V HN 0.455 nan 8.190 nan 0.000 0.447 531 E N 0.279 120.506 120.200 0.045 0.000 2.110 531 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 531 E C 2.390 179.045 176.600 0.093 0.000 0.988 531 E CA 1.712 58.151 56.400 0.066 0.000 0.804 531 E CB -0.750 28.980 29.700 0.051 0.000 0.745 531 E HN 0.582 nan 8.360 nan 0.000 0.458 532 L N 0.734 122.003 121.223 0.075 0.000 2.083 532 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 532 L C 2.842 179.774 176.870 0.104 0.000 1.083 532 L CA 1.849 56.745 54.840 0.094 0.000 0.752 532 L CB -1.523 40.574 42.059 0.063 0.000 0.899 532 L HN 0.076 nan 8.230 nan 0.000 0.433 533 V N -0.961 118.994 119.914 0.069 0.000 2.488 533 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 533 V C 2.683 178.823 176.094 0.077 0.000 1.046 533 V CA 1.752 64.082 62.300 0.051 0.000 1.053 533 V CB -0.745 31.087 31.823 0.016 0.000 0.679 533 V HN 0.693 nan 8.190 nan 0.000 0.458 534 K N -0.710 119.747 120.400 0.095 0.000 2.209 534 K HA -0.204 4.116 4.320 -0.000 0.000 0.204 534 K C 2.173 178.927 176.600 0.256 0.000 1.048 534 K CA 1.398 57.782 56.287 0.161 0.000 0.940 534 K CB -0.237 32.351 32.500 0.147 0.000 0.729 534 K HN 0.605 nan 8.250 nan 0.000 0.451 535 H N 0.244 119.388 119.070 0.122 0.000 2.399 535 H HA 0.026 4.581 4.556 -0.000 0.000 0.300 535 H C 0.392 175.766 175.328 0.076 0.000 1.048 535 H CA 1.154 57.256 56.048 0.091 0.000 1.370 535 H CB 0.575 30.368 29.762 0.052 0.000 1.428 535 H HN -0.029 nan 8.280 nan 0.000 0.534 536 K N 2.699 123.049 120.400 -0.082 0.000 2.602 536 K HA 0.271 4.591 4.320 -0.000 0.000 0.201 536 K C -2.268 174.323 176.600 -0.015 0.000 1.070 536 K CA -1.296 54.927 56.287 -0.107 0.000 1.026 536 K CB 0.473 32.976 32.500 0.006 0.000 1.534 536 K HN 0.349 nan 8.250 nan 0.000 0.560 537 P HA -0.230 nan 4.420 nan 0.000 0.214 537 P C 0.758 178.067 177.300 0.014 0.000 1.163 537 P CA 1.109 64.234 63.100 0.042 0.000 0.883 537 P CB 0.307 32.080 31.700 0.122 0.000 0.788 538 K N 0.058 120.461 120.400 0.005 0.000 2.520 538 K HA 0.063 4.383 4.320 -0.000 0.000 0.197 538 K C 1.112 177.710 176.600 -0.003 0.000 1.043 538 K CA 0.335 56.620 56.287 -0.002 0.000 0.944 538 K CB -1.103 31.392 32.500 -0.009 0.000 0.770 538 K HN 0.202 nan 8.250 nan 0.000 0.480 539 A N 0.454 123.273 122.820 -0.001 0.000 2.520 539 A HA 0.063 4.383 4.320 -0.000 0.000 0.235 539 A C 0.451 178.037 177.584 0.003 0.000 1.065 539 A CA 0.250 52.289 52.037 0.004 0.000 0.764 539 A CB 0.080 19.088 19.000 0.014 0.000 1.002 539 A HN 0.240 nan 8.150 nan 0.000 0.502 540 T N 0.744 115.300 114.554 0.004 0.000 2.904 540 T HA 0.473 4.823 4.350 -0.000 0.000 0.290 540 T C 1.673 176.374 174.700 0.001 0.000 1.018 540 T CA 0.390 62.491 62.100 0.001 0.000 1.075 540 T CB 0.836 69.705 68.868 0.002 0.000 0.986 540 T HN 1.003 nan 8.240 nan 0.000 0.523 541 K N 2.925 123.323 120.400 -0.002 0.000 2.074 541 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 541 K C 1.933 178.534 176.600 0.001 0.000 1.048 541 K CA 2.176 58.461 56.287 -0.004 0.000 0.926 541 K CB -0.973 31.523 32.500 -0.006 0.000 0.713 541 K HN 0.822 nan 8.250 nan 0.000 0.444 542 E N 0.737 120.939 120.200 0.003 0.000 2.007 542 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 542 E C 2.383 178.988 176.600 0.008 0.000 0.999 542 E CA 1.761 58.164 56.400 0.006 0.000 0.811 542 E CB -0.514 29.191 29.700 0.007 0.000 0.762 542 E HN 0.906 nan 8.360 nan 0.000 0.450 543 Q N 0.682 120.488 119.800 0.009 0.000 2.297 543 Q HA -0.156 4.184 4.340 -0.000 0.000 0.208 543 Q C 2.115 178.123 176.000 0.015 0.000 0.981 543 Q CA 1.136 56.947 55.803 0.013 0.000 0.876 543 Q CB -0.320 28.426 28.738 0.013 0.000 0.921 543 Q HN 0.123 nan 8.270 nan 0.000 0.446 544 L N 1.208 122.438 121.223 0.012 0.000 2.056 544 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 544 L C 2.717 179.595 176.870 0.012 0.000 1.078 544 L CA 2.752 57.599 54.840 0.013 0.000 0.749 544 L CB -0.754 41.309 42.059 0.006 0.000 0.901 544 L HN 0.346 nan 8.230 nan 0.000 0.433 545 K N -0.687 119.718 120.400 0.009 0.000 2.288 545 K HA 0.159 4.479 4.320 -0.000 0.000 0.201 545 K C 2.100 178.710 176.600 0.017 0.000 1.048 545 K CA 1.125 57.419 56.287 0.012 0.000 0.956 545 K CB -1.335 31.171 32.500 0.010 0.000 0.746 545 K HN 0.545 nan 8.250 nan 0.000 0.461 546 A N 0.278 123.108 122.820 0.016 0.000 1.940 546 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 546 A C 2.467 180.063 177.584 0.020 0.000 1.176 546 A CA 1.946 53.993 52.037 0.017 0.000 0.631 546 A CB -0.482 18.527 19.000 0.016 0.000 0.814 546 A HN 0.641 nan 8.150 nan 0.000 0.446 547 V N -1.475 118.452 119.914 0.021 0.000 3.307 547 V HA 0.027 4.147 4.120 -0.000 0.000 0.253 547 V C 2.843 178.953 176.094 0.026 0.000 1.149 547 V CA 1.949 64.263 62.300 0.023 0.000 1.112 547 V CB 0.123 31.961 31.823 0.026 0.000 0.777 547 V HN 0.642 nan 8.190 nan 0.000 0.464 548 M N 0.173 119.789 119.600 0.027 0.000 2.099 548 M HA -0.060 4.420 4.480 -0.000 0.000 0.262 548 M C 2.099 178.423 176.300 0.040 0.000 1.067 548 M CA 2.984 58.304 55.300 0.032 0.000 1.124 548 M CB -2.165 30.450 32.600 0.026 0.000 1.353 548 M HN 0.694 nan 8.290 nan 0.000 0.410 549 D N 0.239 120.661 120.400 0.036 0.000 2.182 549 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 549 D C 1.604 177.923 176.300 0.032 0.000 0.986 549 D CA 1.624 55.646 54.000 0.038 0.000 0.847 549 D CB -1.060 39.759 40.800 0.031 0.000 0.942 549 D HN 0.734 nan 8.370 nan 0.000 0.467 550 D N -1.580 118.836 120.400 0.027 0.000 2.312 550 D HA 0.148 4.788 4.640 -0.000 0.000 0.211 550 D C 1.822 178.136 176.300 0.024 0.000 0.964 550 D CA 1.015 55.028 54.000 0.022 0.000 0.877 550 D CB -0.462 40.350 40.800 0.020 0.000 0.924 550 D HN 0.608 nan 8.370 nan 0.000 0.515 551 F N 0.536 120.504 119.950 0.029 0.000 2.456 551 F HA 0.433 4.960 4.527 -0.000 0.000 0.298 551 F C 2.476 178.295 175.800 0.032 0.000 1.104 551 F CA 0.802 58.821 58.000 0.031 0.000 1.435 551 F CB -0.946 38.077 39.000 0.037 0.000 1.078 551 F HN 0.186 nan 8.300 nan 0.000 0.546 552 A N 0.334 123.175 122.820 0.036 0.000 1.897 552 A HA 0.223 4.543 4.320 -0.000 0.000 0.215 552 A C 2.562 180.158 177.584 0.020 0.000 1.181 552 A CA 1.667 53.723 52.037 0.032 0.000 0.620 552 A CB -1.319 17.703 19.000 0.037 0.000 0.821 552 A HN 1.138 nan 8.150 nan 0.000 0.443 553 A N -1.361 121.470 122.820 0.019 0.000 1.969 553 A HA 0.183 4.503 4.320 -0.000 0.000 0.218 553 A C 2.311 179.903 177.584 0.012 0.000 1.169 553 A CA 1.787 53.831 52.037 0.013 0.000 0.635 553 A CB -1.186 17.821 19.000 0.013 0.000 0.810 553 A HN 1.151 nan 8.150 nan 0.000 0.445 554 F N -1.017 118.941 119.950 0.014 0.000 2.269 554 F HA 0.072 4.599 4.527 -0.000 0.000 0.301 554 F C 2.367 178.174 175.800 0.012 0.000 1.082 554 F CA 1.960 59.967 58.000 0.013 0.000 1.360 554 F CB -0.823 38.186 39.000 0.015 0.000 1.041 554 F HN 0.209 nan 8.300 nan 0.000 0.512 555 V N -0.533 119.388 119.914 0.012 0.000 3.471 555 V HA 0.083 4.203 4.120 -0.000 0.000 0.258 555 V C 1.295 177.392 176.094 0.006 0.000 1.192 555 V CA 1.211 63.517 62.300 0.010 0.000 1.116 555 V CB 0.006 31.836 31.823 0.012 0.000 0.792 555 V HN 0.657 nan 8.190 nan 0.000 0.459 556 E N 0.897 121.100 120.200 0.005 0.000 2.354 556 E HA 0.077 4.427 4.350 -0.000 0.000 0.260 556 E C 1.103 177.705 176.600 0.003 0.000 1.405 556 E CA 0.087 56.489 56.400 0.003 0.000 1.728 556 E CB -0.085 29.616 29.700 0.002 0.000 1.471 556 E HN 0.836 nan 8.360 nan 0.000 0.441 557 K N -1.959 118.443 120.400 0.004 0.000 2.889 557 K HA 0.106 4.426 4.320 -0.000 0.000 0.209 557 K C 1.813 178.415 176.600 0.003 0.000 1.651 557 K CA -0.017 56.272 56.287 0.004 0.000 1.170 557 K CB -0.542 31.960 32.500 0.005 0.000 1.981 557 K HN 0.082 nan 8.250 nan 0.000 0.522 558 c N 2.118 120.721 118.600 0.004 0.000 2.432 558 c HA -0.041 4.529 4.570 -0.000 0.000 0.277 558 c C 2.662 176.754 174.090 0.003 0.000 1.249 558 c CA 0.919 57.250 56.329 0.004 0.000 1.725 558 c CB -0.925 41.587 42.510 0.005 0.000 2.028 558 c HN 0.721 nan 8.230 nan 0.000 0.477 559 c N 1.226 119.827 118.600 0.003 0.000 2.388 559 c HA -0.117 4.453 4.570 -0.000 0.000 0.299 559 c C 1.260 175.351 174.090 0.002 0.000 1.390 559 c CA 1.248 57.578 56.329 0.002 0.000 1.808 559 c CB -2.206 40.304 42.510 0.001 0.000 1.831 559 c HN 0.754 nan 8.230 nan 0.000 0.548 560 K N -1.086 119.314 120.400 0.002 0.000 3.098 560 K HA 0.593 4.913 4.320 -0.000 0.000 0.170 560 K C -0.196 176.405 176.600 0.002 0.000 1.106 560 K CA 0.148 56.436 56.287 0.001 0.000 0.864 560 K CB 0.474 32.974 32.500 0.000 0.000 1.047 560 K HN 0.010 nan 8.250 nan 0.000 0.609 561 A N 1.105 123.926 122.820 0.002 0.000 2.427 561 A HA 0.338 4.658 4.320 -0.000 0.000 0.225 561 A C 0.985 178.570 177.584 0.002 0.000 1.257 561 A CA 0.586 52.624 52.037 0.002 0.000 0.985 561 A CB -0.093 18.909 19.000 0.003 0.000 1.136 561 A HN 0.826 nan 8.150 nan 0.000 0.538 562 D N -1.189 119.213 120.400 0.002 0.000 2.811 562 D HA 0.096 4.736 4.640 -0.000 0.000 0.231 562 D C 0.061 176.363 176.300 0.002 0.000 1.157 562 D CA 1.789 55.791 54.000 0.002 0.000 0.716 562 D CB -2.547 38.254 40.800 0.002 0.000 1.077 562 D HN 1.354 nan 8.370 nan 0.000 0.428 563 D N -1.600 118.802 120.400 0.003 0.000 2.163 563 D HA 0.857 5.497 4.640 -0.000 0.000 0.248 563 D C 1.624 177.926 176.300 0.003 0.000 1.035 563 D CA 0.878 54.880 54.000 0.003 0.000 0.872 563 D CB 0.783 41.585 40.800 0.003 0.000 1.183 563 D HN 1.153 nan 8.370 nan 0.000 0.445 564 K N -0.907 119.495 120.400 0.003 0.000 2.089 564 K HA 0.168 4.488 4.320 -0.000 0.000 0.210 564 K C 1.777 178.380 176.600 0.004 0.000 1.048 564 K CA 3.558 59.847 56.287 0.003 0.000 0.926 564 K CB -0.812 31.690 32.500 0.003 0.000 0.714 564 K HN 1.636 nan 8.250 nan 0.000 0.448 565 E N -3.963 116.239 120.200 0.003 0.000 1.376 565 E HA 0.006 4.356 4.350 -0.000 0.000 0.202 565 E C 1.922 178.524 176.600 0.003 0.000 0.934 565 E CA 0.905 57.307 56.400 0.004 0.000 0.997 565 E CB -1.375 28.327 29.700 0.004 0.000 4.505 565 E HN 0.389 nan 8.360 nan 0.000 0.688 566 T N 0.624 115.180 114.554 0.003 0.000 2.656 566 T HA -0.372 3.978 4.350 -0.000 0.000 0.262 566 T C 2.066 176.768 174.700 0.003 0.000 1.070 566 T CA 2.180 64.281 62.100 0.003 0.000 1.160 566 T CB -1.380 67.490 68.868 0.003 0.000 0.855 566 T HN 0.843 nan 8.240 nan 0.000 0.456 567 c N 0.710 119.312 118.600 0.003 0.000 2.327 567 c HA -0.300 4.270 4.570 -0.000 0.000 0.271 567 c C 2.775 176.867 174.090 0.004 0.000 1.131 567 c CA 2.391 58.722 56.329 0.003 0.000 1.792 567 c CB -1.705 40.807 42.510 0.003 0.000 1.832 567 c HN 0.651 nan 8.230 nan 0.000 0.403 568 F N 0.068 120.020 119.950 0.004 0.000 2.065 568 F HA -0.269 4.258 4.527 -0.000 0.000 0.288 568 F C 2.404 178.206 175.800 0.004 0.000 1.063 568 F CA 3.451 61.453 58.000 0.004 0.000 1.285 568 F CB -1.844 37.158 39.000 0.004 0.000 0.980 568 F HN 0.736 nan 8.300 nan 0.000 0.493 569 A N -1.090 121.731 122.820 0.003 0.000 2.095 569 A HA 0.367 4.687 4.320 -0.000 0.000 0.212 569 A C 1.949 179.534 177.584 0.002 0.000 1.162 569 A CA 1.813 53.852 52.037 0.002 0.000 0.753 569 A CB -1.121 17.880 19.000 0.002 0.000 0.840 569 A HN 1.157 nan 8.150 nan 0.000 0.468 570 E N 1.245 121.447 120.200 0.002 0.000 2.016 570 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 570 E C 1.701 178.303 176.600 0.002 0.000 0.985 570 E CA 1.245 57.646 56.400 0.002 0.000 0.802 570 E CB -0.777 28.924 29.700 0.002 0.000 0.762 570 E HN 0.729 nan 8.360 nan 0.000 0.448 571 E N 0.523 120.725 120.200 0.003 0.000 2.347 571 E HA 0.001 4.351 4.350 -0.000 0.000 0.196 571 E C 2.233 178.835 176.600 0.004 0.000 1.008 571 E CA 0.855 57.257 56.400 0.004 0.000 0.852 571 E CB -0.674 29.028 29.700 0.004 0.000 0.783 571 E HN 0.446 nan 8.360 nan 0.000 0.505 572 G N 1.330 110.132 108.800 0.003 0.000 2.471 572 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 572 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 572 G C 1.865 176.766 174.900 0.001 0.000 1.125 572 G CA 1.338 46.439 45.100 0.003 0.000 0.775 572 G HN 0.527 nan 8.290 nan 0.000 0.548 573 K N 0.221 120.621 120.400 0.001 0.000 2.103 573 K HA 0.190 4.510 4.320 -0.000 0.000 0.204 573 K C 2.573 179.174 176.600 0.001 0.000 1.052 573 K CA 1.919 58.206 56.287 0.000 0.000 0.945 573 K CB -0.997 31.503 32.500 0.001 0.000 0.722 573 K HN 0.567 nan 8.250 nan 0.000 0.443 574 K N 0.386 120.787 120.400 0.003 0.000 2.155 574 K HA 0.400 4.720 4.320 -0.000 0.000 0.203 574 K C 2.742 179.345 176.600 0.004 0.000 1.052 574 K CA 1.633 57.922 56.287 0.004 0.000 0.948 574 K CB -1.523 30.980 32.500 0.004 0.000 0.728 574 K HN 0.708 nan 8.250 nan 0.000 0.448 575 L N 0.263 121.489 121.223 0.004 0.000 1.973 575 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 575 L C 2.835 179.707 176.870 0.003 0.000 1.073 575 L CA 2.241 57.084 54.840 0.006 0.000 0.746 575 L CB -1.485 40.578 42.059 0.006 0.000 0.891 575 L HN 0.292 nan 8.230 nan 0.000 0.433 576 V N 0.472 120.386 119.914 -0.001 0.000 2.324 576 V HA -0.310 3.810 4.120 -0.000 0.000 0.250 576 V C 3.178 179.269 176.094 -0.005 0.000 1.060 576 V CA 2.055 64.351 62.300 -0.006 0.000 1.042 576 V CB -1.441 30.376 31.823 -0.009 0.000 0.650 576 V HN 0.841 nan 8.190 nan 0.000 0.450 577 A N 0.096 122.915 122.820 -0.002 0.000 1.865 577 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 577 A C 2.410 179.996 177.584 0.003 0.000 1.191 577 A CA 2.434 54.471 52.037 0.000 0.000 0.623 577 A CB -0.889 18.112 19.000 0.001 0.000 0.826 577 A HN 0.620 nan 8.150 nan 0.000 0.444 578 A N -1.000 121.824 122.820 0.005 0.000 2.014 578 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 578 A C 2.381 179.971 177.584 0.011 0.000 1.163 578 A CA 1.803 53.845 52.037 0.009 0.000 0.652 578 A CB -0.631 18.375 19.000 0.010 0.000 0.808 578 A HN 0.451 nan 8.150 nan 0.000 0.449 579 S N -0.980 114.724 115.700 0.007 0.000 2.368 579 S HA -0.070 4.400 4.470 -0.000 0.000 0.224 579 S C 2.485 177.089 174.600 0.006 0.000 1.029 579 S CA 1.574 59.778 58.200 0.008 0.000 0.988 579 S CB -0.436 62.764 63.200 -0.001 0.000 0.838 579 S HN 0.873 nan 8.310 nan 0.000 0.462 580 Q N 0.613 120.412 119.800 -0.002 0.000 2.369 580 Q HA 0.335 4.675 4.340 -0.000 0.000 0.206 580 Q C 2.138 178.147 176.000 0.015 0.000 0.963 580 Q CA 1.286 57.088 55.803 -0.002 0.000 0.894 580 Q CB -0.970 27.762 28.738 -0.010 0.000 0.965 580 Q HN 0.659 nan 8.270 nan 0.000 0.475 581 A N 0.983 123.812 122.820 0.015 0.000 1.832 581 A HA 0.528 4.848 4.320 -0.000 0.000 0.214 581 A C 2.027 179.627 177.584 0.026 0.000 1.204 581 A CA 0.971 53.019 52.037 0.018 0.000 0.606 581 A CB -1.052 17.957 19.000 0.014 0.000 0.849 581 A HN 1.139 nan 8.150 nan 0.000 0.445 582 A N 0.000 122.837 122.820 0.028 0.000 2.254 582 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 582 A CA 0.000 52.057 52.037 0.033 0.000 0.836 582 A CB 0.000 19.020 19.000 0.033 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486