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 3lu8_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.628 174.600 0.047 0.000 1.055 5 S CA 0.000 58.209 58.200 0.015 0.000 1.107 5 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 6 E N 3.202 123.437 120.200 0.058 0.000 2.060 6 E HA 0.052 4.326 4.350 -0.127 0.000 0.189 6 E C 1.848 178.536 176.600 0.147 0.000 0.974 6 E CA 1.696 58.151 56.400 0.093 0.000 0.808 6 E CB -0.224 29.496 29.700 0.034 0.000 0.768 6 E HN 0.474 nan 8.360 nan 0.000 0.453 7 V N 0.363 120.356 119.914 0.132 0.000 2.407 7 V HA -0.200 3.844 4.120 -0.127 0.000 0.248 7 V C 2.046 178.227 176.094 0.146 0.000 1.055 7 V CA 2.179 64.615 62.300 0.227 0.000 1.049 7 V CB -0.501 31.482 31.823 0.267 0.000 0.662 7 V HN 0.413 nan 8.190 nan 0.000 0.455 8 A N -1.398 121.441 122.820 0.032 0.000 1.929 8 A HA -0.224 4.020 4.320 -0.127 0.000 0.216 8 A C 2.216 179.869 177.584 0.114 0.000 1.176 8 A CA 1.631 53.658 52.037 -0.016 0.000 0.628 8 A CB -0.960 17.992 19.000 -0.079 0.000 0.816 8 A HN 0.807 nan 8.150 nan 0.000 0.444 9 H N -0.473 118.626 119.070 0.049 0.000 2.321 9 H HA -0.093 4.387 4.556 -0.127 0.000 0.300 9 H C 2.173 177.563 175.328 0.102 0.000 1.087 9 H CA 1.441 57.526 56.048 0.061 0.000 1.319 9 H CB 0.079 29.866 29.762 0.043 0.000 1.379 9 H HN 0.258 nan 8.280 nan 0.000 0.501 10 R N 0.171 120.706 120.500 0.058 0.000 2.066 10 R HA -0.133 4.131 4.340 -0.127 0.000 0.232 10 R C 2.386 178.764 176.300 0.130 0.000 1.131 10 R CA 0.827 56.959 56.100 0.052 0.000 0.955 10 R CB -1.460 28.976 30.300 0.227 0.000 0.851 10 R HN 0.313 nan 8.270 nan 0.000 0.432 11 F N 2.332 122.299 119.950 0.028 0.000 2.063 11 F HA -0.322 4.129 4.527 -0.126 0.000 0.298 11 F C 2.280 178.017 175.800 -0.106 0.000 1.105 11 F CA 1.940 59.837 58.000 -0.170 0.000 1.215 11 F CB -0.051 38.684 39.000 -0.442 0.000 0.972 11 F HN -0.029 nan 8.300 nan 0.000 0.483 12 K N -0.356 120.126 120.400 0.136 0.000 2.026 12 K HA -0.189 4.055 4.320 -0.127 0.000 0.208 12 K C 1.815 178.390 176.600 -0.042 0.000 1.048 12 K CA 1.677 57.998 56.287 0.056 0.000 0.929 12 K CB -0.348 32.188 32.500 0.059 0.000 0.713 12 K HN 0.311 nan 8.250 nan 0.000 0.439 13 D N 0.683 121.018 120.400 -0.108 0.000 2.149 13 D HA -0.091 4.473 4.640 -0.127 0.000 0.201 13 D C 1.910 178.159 176.300 -0.085 0.000 0.972 13 D CA 1.089 55.016 54.000 -0.122 0.000 0.835 13 D CB 0.072 40.738 40.800 -0.223 0.000 0.966 13 D HN 0.143 nan 8.370 nan 0.000 0.476 14 L N -0.305 120.868 121.223 -0.082 0.000 2.307 14 L HA 0.219 4.483 4.340 -0.127 0.000 0.211 14 L C 1.190 177.994 176.870 -0.110 0.000 1.099 14 L CA 0.348 55.147 54.840 -0.068 0.000 0.816 14 L CB -0.119 41.930 42.059 -0.018 0.000 0.952 14 L HN 0.037 nan 8.230 nan 0.000 0.455 15 G N 0.450 109.130 108.800 -0.200 0.000 2.712 15 G HA2 -0.253 3.631 3.960 -0.127 0.000 0.686 15 G HA3 -0.253 3.631 3.960 -0.127 0.000 0.686 15 G C 0.206 174.860 174.900 -0.410 0.000 1.321 15 G CA 0.068 45.016 45.100 -0.253 0.000 0.813 15 G HN 0.230 nan 8.290 nan 0.000 0.599 16 E N -0.133 119.805 120.200 -0.438 0.000 2.007 16 E HA -0.139 4.135 4.350 -0.127 0.000 0.194 16 E C 2.081 178.596 176.600 -0.142 0.000 0.999 16 E CA 1.614 57.748 56.400 -0.445 0.000 0.811 16 E CB -0.197 29.405 29.700 -0.164 0.000 0.762 16 E HN 0.666 nan 8.360 nan 0.000 0.450 17 E N -0.058 120.102 120.200 -0.067 0.000 2.119 17 E HA -0.306 3.968 4.350 -0.127 0.000 0.221 17 E C 1.988 178.584 176.600 -0.006 0.000 1.062 17 E CA 1.939 58.333 56.400 -0.010 0.000 0.894 17 E CB -0.229 29.470 29.700 -0.002 0.000 0.785 17 E HN 0.302 nan 8.360 nan 0.000 0.472 18 N N -0.196 118.487 118.700 -0.028 0.000 2.188 18 N HA -0.137 4.527 4.740 -0.127 0.000 0.184 18 N C 1.576 177.065 175.510 -0.035 0.000 1.018 18 N CA 0.707 53.740 53.050 -0.028 0.000 0.858 18 N CB -0.534 37.933 38.487 -0.033 0.000 0.989 18 N HN 0.159 nan 8.380 nan 0.000 0.426 19 F N 2.221 122.063 119.950 -0.179 0.000 2.069 19 F HA -0.181 4.272 4.527 -0.124 0.000 0.298 19 F C 2.075 177.812 175.800 -0.105 0.000 1.113 19 F CA 1.566 59.474 58.000 -0.153 0.000 1.214 19 F CB -0.060 38.780 39.000 -0.267 0.000 0.978 19 F HN -0.097 nan 8.300 nan 0.000 0.474 20 K N 0.221 120.697 120.400 0.126 0.000 1.987 20 K HA -0.247 3.997 4.320 -0.127 0.000 0.216 20 K C 2.298 178.834 176.600 -0.106 0.000 1.051 20 K CA 1.704 58.016 56.287 0.043 0.000 0.942 20 K CB -0.855 31.698 32.500 0.088 0.000 0.722 20 K HN 0.375 nan 8.250 nan 0.000 0.444 21 A N 1.296 124.073 122.820 -0.072 0.000 1.908 21 A HA -0.155 4.089 4.320 -0.127 0.000 0.218 21 A C 2.170 179.655 177.584 -0.165 0.000 1.181 21 A CA 1.435 53.425 52.037 -0.079 0.000 0.627 21 A CB -0.690 18.293 19.000 -0.030 0.000 0.818 21 A HN 0.205 nan 8.150 nan 0.000 0.445 22 L N -0.664 120.429 121.223 -0.217 0.000 2.141 22 L HA -0.122 4.142 4.340 -0.127 0.000 0.209 22 L C 2.423 179.020 176.870 -0.455 0.000 1.094 22 L CA 0.749 55.422 54.840 -0.278 0.000 0.763 22 L CB -0.343 41.570 42.059 -0.243 0.000 0.908 22 L HN 0.255 nan 8.230 nan 0.000 0.437 23 V N -0.410 119.135 119.914 -0.615 0.000 2.453 23 V HA -0.235 3.808 4.120 -0.127 0.000 0.247 23 V C 2.306 177.852 176.094 -0.914 0.000 1.048 23 V CA 1.114 62.833 62.300 -0.968 0.000 1.049 23 V CB -0.289 30.914 31.823 -1.033 0.000 0.672 23 V HN 0.299 nan 8.190 nan 0.000 0.457 24 L N 0.217 121.163 121.223 -0.462 0.000 2.042 24 L HA -0.149 4.115 4.340 -0.127 0.000 0.210 24 L C 2.139 178.850 176.870 -0.264 0.000 1.076 24 L CA 1.921 56.617 54.840 -0.240 0.000 0.749 24 L CB -0.566 41.447 42.059 -0.077 0.000 0.893 24 L HN 0.225 nan 8.230 nan 0.000 0.432 25 I N -0.535 119.865 120.570 -0.283 0.000 2.142 25 I HA -0.300 3.794 4.170 -0.127 0.000 0.240 25 I C 2.625 178.556 176.117 -0.309 0.000 1.078 25 I CA 1.262 62.418 61.300 -0.241 0.000 1.343 25 I CB -0.723 37.157 38.000 -0.200 0.000 1.046 25 I HN 0.342 nan 8.210 nan 0.000 0.405 26 A N 0.959 123.499 122.820 -0.466 0.000 1.917 26 A HA -0.241 4.003 4.320 -0.127 0.000 0.219 26 A C 2.090 179.363 177.584 -0.518 0.000 1.182 26 A CA 1.878 53.566 52.037 -0.582 0.000 0.633 26 A CB -0.977 17.573 19.000 -0.751 0.000 0.819 26 A HN 0.353 nan 8.150 nan 0.000 0.448 27 F N -0.176 119.493 119.950 -0.468 0.000 2.186 27 F HA 0.017 4.468 4.527 -0.127 0.000 0.299 27 F C 2.790 178.296 175.800 -0.491 0.000 1.090 27 F CA 0.313 58.040 58.000 -0.456 0.000 1.307 27 F CB -1.108 37.625 39.000 -0.445 0.000 1.019 27 F HN 0.272 nan 8.300 nan 0.000 0.489 28 A N -0.506 122.135 122.820 -0.297 0.000 1.968 28 A HA -0.147 4.097 4.320 -0.127 0.000 0.217 28 A C 2.095 179.651 177.584 -0.046 0.000 1.169 28 A CA 1.044 52.975 52.037 -0.178 0.000 0.638 28 A CB -0.635 18.324 19.000 -0.068 0.000 0.812 28 A HN 0.444 nan 8.150 nan 0.000 0.446 29 Q N -1.862 117.900 119.800 -0.063 0.000 2.245 29 Q HA -0.090 4.174 4.340 -0.127 0.000 0.201 29 Q C 1.500 177.606 176.000 0.176 0.000 0.955 29 Q CA 1.115 56.923 55.803 0.010 0.000 0.870 29 Q CB -0.136 28.577 28.738 -0.043 0.000 0.945 29 Q HN 0.772 nan 8.270 nan 0.000 0.461 30 Y N -0.154 120.087 120.300 -0.098 0.000 2.347 30 Y HA 0.152 4.623 4.550 -0.132 0.000 0.294 30 Y C 0.853 176.767 175.900 0.024 0.000 1.117 30 Y CA 0.279 58.313 58.100 -0.111 0.000 1.184 30 Y CB 0.563 38.783 38.460 -0.399 0.000 1.047 30 Y HN -0.047 nan 8.280 nan 0.000 0.546 31 L N 1.177 122.553 121.223 0.256 0.000 2.445 31 L HA 0.250 4.514 4.340 -0.127 0.000 0.252 31 L C 0.738 177.830 176.870 0.370 0.000 1.105 31 L CA -0.069 54.978 54.840 0.347 0.000 0.943 31 L CB 1.203 43.516 42.059 0.424 0.000 1.277 31 L HN 0.094 nan 8.230 nan 0.000 0.465 32 Q N 0.059 120.002 119.800 0.237 0.000 2.172 32 Q HA -0.105 4.159 4.340 -0.127 0.000 0.200 32 Q C 1.401 177.486 176.000 0.141 0.000 0.964 32 Q CA 1.023 56.913 55.803 0.145 0.000 0.855 32 Q CB 0.330 29.108 28.738 0.067 0.000 0.918 32 Q HN 0.608 nan 8.270 nan 0.000 0.444 33 Q N -0.173 119.708 119.800 0.136 0.000 2.389 33 Q HA -0.007 4.257 4.340 -0.127 0.000 0.204 33 Q C 0.877 176.899 176.000 0.036 0.000 0.944 33 Q CA 0.145 55.964 55.803 0.026 0.000 0.908 33 Q CB -0.275 28.399 28.738 -0.107 0.000 1.002 33 Q HN 0.292 nan 8.270 nan 0.000 0.493 34 C N 3.263 122.681 119.300 0.197 0.000 2.657 34 C HA 0.165 4.549 4.460 -0.127 0.000 0.420 34 C C -1.986 173.095 174.990 0.153 0.000 1.323 34 C CA -1.327 57.785 59.018 0.157 0.000 1.894 34 C CB -0.005 27.818 27.740 0.139 0.000 2.681 34 C HN 0.170 nan 8.230 nan 0.000 0.613 35 P HA 0.044 nan 4.420 nan 0.000 0.267 35 P C 0.514 177.740 177.300 -0.124 0.000 1.200 35 P CA 0.090 63.210 63.100 0.033 0.000 0.772 35 P CB 0.183 31.869 31.700 -0.024 0.000 0.855 36 F N 3.591 123.283 119.950 -0.430 0.000 2.091 36 F HA -0.282 4.168 4.527 -0.128 0.000 0.299 36 F C 1.822 177.396 175.800 -0.378 0.000 1.103 36 F CA 1.950 59.443 58.000 -0.846 0.000 1.228 36 F CB -0.480 38.133 39.000 -0.645 0.000 0.984 36 F HN 0.283 nan 8.300 nan 0.000 0.477 37 E N 0.536 120.507 120.200 -0.382 0.000 2.058 37 E HA -0.236 4.038 4.350 -0.127 0.000 0.194 37 E C 1.848 178.234 176.600 -0.356 0.000 0.997 37 E CA 1.737 57.899 56.400 -0.396 0.000 0.801 37 E CB -1.116 28.491 29.700 -0.154 0.000 0.746 37 E HN 0.469 nan 8.360 nan 0.000 0.450 38 D N 0.630 120.856 120.400 -0.291 0.000 2.092 38 D HA -0.157 4.407 4.640 -0.127 0.000 0.193 38 D C 1.972 178.094 176.300 -0.296 0.000 0.994 38 D CA 1.248 55.081 54.000 -0.279 0.000 0.828 38 D CB -0.532 40.090 40.800 -0.297 0.000 0.963 38 D HN 0.293 nan 8.370 nan 0.000 0.450 39 H N -0.026 118.899 119.070 -0.241 0.000 2.352 39 H HA -0.045 4.437 4.556 -0.125 0.000 0.299 39 H C 2.335 177.543 175.328 -0.200 0.000 1.097 39 H CA 0.731 56.663 56.048 -0.193 0.000 1.311 39 H CB -0.504 29.194 29.762 -0.108 0.000 1.377 39 H HN 0.049 nan 8.280 nan 0.000 0.504 40 V N 0.973 120.729 119.914 -0.264 0.000 2.358 40 V HA -0.216 3.828 4.120 -0.127 0.000 0.246 40 V C 2.602 178.615 176.094 -0.135 0.000 1.047 40 V CA 1.817 63.957 62.300 -0.266 0.000 1.035 40 V CB -0.385 31.120 31.823 -0.530 0.000 0.658 40 V HN 0.306 nan 8.190 nan 0.000 0.452 41 K N 0.143 120.451 120.400 -0.154 0.000 1.991 41 K HA -0.169 4.075 4.320 -0.127 0.000 0.212 41 K C 2.185 178.757 176.600 -0.047 0.000 1.049 41 K CA 1.697 57.929 56.287 -0.092 0.000 0.932 41 K CB -0.299 32.137 32.500 -0.106 0.000 0.717 41 K HN 0.348 nan 8.250 nan 0.000 0.441 42 L N 0.759 121.936 121.223 -0.077 0.000 2.021 42 L HA -0.249 4.015 4.340 -0.127 0.000 0.215 42 L C 2.460 179.377 176.870 0.077 0.000 1.074 42 L CA 1.364 56.158 54.840 -0.077 0.000 0.760 42 L CB -0.637 41.257 42.059 -0.275 0.000 0.889 42 L HN 0.125 nan 8.230 nan 0.000 0.433 43 V N 0.045 120.050 119.914 0.153 0.000 2.343 43 V HA -0.270 3.774 4.120 -0.127 0.000 0.247 43 V C 2.262 178.457 176.094 0.168 0.000 1.051 43 V CA 1.868 64.297 62.300 0.215 0.000 1.036 43 V CB -0.716 31.183 31.823 0.127 0.000 0.654 43 V HN 0.496 nan 8.190 nan 0.000 0.451 44 N N 0.287 119.049 118.700 0.104 0.000 2.120 44 N HA -0.184 4.480 4.740 -0.127 0.000 0.188 44 N C 1.829 177.416 175.510 0.127 0.000 1.024 44 N CA 1.595 54.706 53.050 0.103 0.000 0.852 44 N CB -0.325 38.192 38.487 0.050 0.000 1.003 44 N HN 0.612 nan 8.380 nan 0.000 0.424 45 E N 0.375 120.641 120.200 0.109 0.000 2.085 45 E HA -0.110 4.164 4.350 -0.127 0.000 0.194 45 E C 1.986 178.716 176.600 0.217 0.000 0.994 45 E CA 0.912 57.386 56.400 0.123 0.000 0.801 45 E CB -0.014 29.728 29.700 0.071 0.000 0.743 45 E HN 0.073 nan 8.360 nan 0.000 0.453 46 V N 1.123 121.200 119.914 0.272 0.000 2.343 46 V HA -0.248 3.796 4.120 -0.127 0.000 0.247 46 V C 2.275 178.650 176.094 0.469 0.000 1.051 46 V CA 2.131 64.688 62.300 0.428 0.000 1.036 46 V CB -0.658 31.427 31.823 0.437 0.000 0.654 46 V HN 0.346 nan 8.190 nan 0.000 0.451 47 T N -0.636 114.153 114.554 0.391 0.000 2.737 47 T HA -0.220 4.054 4.350 -0.127 0.000 0.265 47 T C 1.857 176.627 174.700 0.116 0.000 1.038 47 T CA 1.683 63.981 62.100 0.330 0.000 1.144 47 T CB -0.220 68.844 68.868 0.327 0.000 0.866 47 T HN 0.631 nan 8.240 nan 0.000 0.434 48 E N 0.300 120.579 120.200 0.130 0.000 2.049 48 E HA -0.215 4.059 4.350 -0.127 0.000 0.198 48 E C 1.991 178.623 176.600 0.052 0.000 1.007 48 E CA 1.395 57.837 56.400 0.069 0.000 0.809 48 E CB -0.289 29.467 29.700 0.093 0.000 0.749 48 E HN 0.488 nan 8.360 nan 0.000 0.450 49 F N 1.103 121.064 119.950 0.018 0.000 2.161 49 F HA -0.125 4.326 4.527 -0.128 0.000 0.300 49 F C 1.990 177.752 175.800 -0.062 0.000 1.089 49 F CA 1.515 59.519 58.000 0.006 0.000 1.282 49 F CB -0.558 38.486 39.000 0.072 0.000 1.010 49 F HN 0.101 nan 8.300 nan 0.000 0.485 50 A N 0.598 123.219 122.820 -0.332 0.000 1.877 50 A HA -0.191 4.053 4.320 -0.127 0.000 0.216 50 A C 2.292 179.382 177.584 -0.822 0.000 1.186 50 A CA 1.773 53.434 52.037 -0.627 0.000 0.620 50 A CB -0.699 17.926 19.000 -0.625 0.000 0.822 50 A HN 0.450 nan 8.150 nan 0.000 0.443 51 K N -0.435 119.523 120.400 -0.736 0.000 2.103 51 K HA -0.162 4.082 4.320 -0.127 0.000 0.207 51 K C 2.243 178.585 176.600 -0.430 0.000 1.048 51 K CA 1.905 57.811 56.287 -0.636 0.000 0.930 51 K CB -0.528 31.747 32.500 -0.376 0.000 0.716 51 K HN 0.768 nan 8.250 nan 0.000 0.444 52 T N -1.083 113.251 114.554 -0.367 0.000 2.788 52 T HA -0.146 4.128 4.350 -0.127 0.000 0.268 52 T C 2.285 176.802 174.700 -0.304 0.000 1.044 52 T CA 1.308 63.247 62.100 -0.268 0.000 1.139 52 T CB -0.702 68.056 68.868 -0.183 0.000 0.867 52 T HN 0.211 nan 8.240 nan 0.000 0.454 53 c N 0.794 119.118 118.600 -0.460 0.000 2.457 53 c HA 0.170 4.664 4.570 -0.127 0.000 0.278 53 c C 2.934 176.863 174.090 -0.269 0.000 1.309 53 c CA -0.082 56.025 56.329 -0.370 0.000 1.735 53 c CB -1.212 41.009 42.510 -0.480 0.000 1.992 53 c HN 0.438 nan 8.230 nan 0.000 0.493 54 V N 1.441 121.154 119.914 -0.335 0.000 2.407 54 V HA -0.223 3.821 4.120 -0.127 0.000 0.248 54 V C 2.634 178.630 176.094 -0.164 0.000 1.055 54 V CA 2.234 64.386 62.300 -0.246 0.000 1.049 54 V CB -1.084 30.531 31.823 -0.347 0.000 0.662 54 V HN 0.610 nan 8.190 nan 0.000 0.455 55 A N -0.321 122.394 122.820 -0.176 0.000 1.825 55 A HA -0.124 4.120 4.320 -0.127 0.000 0.214 55 A C 1.308 178.839 177.584 -0.088 0.000 1.206 55 A CA 1.677 53.645 52.037 -0.116 0.000 0.609 55 A CB -0.262 18.671 19.000 -0.112 0.000 0.851 55 A HN 0.535 nan 8.150 nan 0.000 0.445 56 D N -1.410 118.935 120.400 -0.092 0.000 2.440 56 D HA 0.323 4.886 4.640 -0.127 0.000 0.239 56 D C 0.212 176.468 176.300 -0.074 0.000 1.084 56 D CA -0.366 53.594 54.000 -0.066 0.000 0.843 56 D CB 1.210 41.982 40.800 -0.048 0.000 1.097 56 D HN 0.335 nan 8.370 nan 0.000 0.531 57 E N 1.594 121.758 120.200 -0.061 0.000 2.516 57 E HA -0.077 4.197 4.350 -0.127 0.000 0.199 57 E C 0.585 177.165 176.600 -0.034 0.000 1.069 57 E CA 0.452 56.818 56.400 -0.057 0.000 0.876 57 E CB 0.294 29.970 29.700 -0.039 0.000 0.843 57 E HN 0.413 nan 8.360 nan 0.000 0.530 58 S N -0.854 114.831 115.700 -0.025 0.000 2.575 58 S HA 0.408 4.802 4.470 -0.127 0.000 0.237 58 S C 0.482 175.083 174.600 0.003 0.000 0.975 58 S CA -0.288 57.908 58.200 -0.007 0.000 0.960 58 S CB 0.806 64.003 63.200 -0.006 0.000 0.822 58 S HN 0.240 nan 8.310 nan 0.000 0.472 59 A N 1.858 124.674 122.820 -0.006 0.000 2.483 59 A HA 0.299 4.543 4.320 -0.127 0.000 0.238 59 A C 1.336 178.962 177.584 0.070 0.000 1.070 59 A CA 0.178 52.225 52.037 0.018 0.000 0.770 59 A CB -0.080 18.913 19.000 -0.012 0.000 1.008 59 A HN 0.610 nan 8.150 nan 0.000 0.497 60 E N 1.641 121.891 120.200 0.084 0.000 2.119 60 E HA -0.299 3.975 4.350 -0.127 0.000 0.221 60 E C 0.680 177.346 176.600 0.111 0.000 1.062 60 E CA 2.357 58.807 56.400 0.084 0.000 0.894 60 E CB -0.132 29.611 29.700 0.073 0.000 0.785 60 E HN 0.735 nan 8.360 nan 0.000 0.472 61 N N -0.755 118.065 118.700 0.199 0.000 2.270 61 N HA 0.048 4.712 4.740 -0.127 0.000 0.198 61 N C 0.518 176.233 175.510 0.341 0.000 1.117 61 N CA 0.256 53.424 53.050 0.196 0.000 0.845 61 N CB 0.138 38.641 38.487 0.027 0.000 0.980 61 N HN 0.248 nan 8.380 nan 0.000 0.486 62 c N 0.829 119.600 118.600 0.285 0.000 2.522 62 c HA 0.006 4.500 4.570 -0.127 0.000 0.271 62 c C 1.786 175.946 174.090 0.117 0.000 1.425 62 c CA 0.047 56.494 56.329 0.197 0.000 1.751 62 c CB -0.753 41.762 42.510 0.009 0.000 1.775 62 c HN 0.486 nan 8.230 nan 0.000 0.557 63 D N 0.211 120.668 120.400 0.095 0.000 2.369 63 D HA 0.006 4.570 4.640 -0.127 0.000 0.211 63 D C 0.389 176.718 176.300 0.049 0.000 1.077 63 D CA 0.092 54.124 54.000 0.054 0.000 0.842 63 D CB -0.128 40.692 40.800 0.034 0.000 0.947 63 D HN 0.354 nan 8.370 nan 0.000 0.509 64 K N 1.053 121.495 120.400 0.069 0.000 2.219 64 K HA 0.186 4.430 4.320 -0.127 0.000 0.258 64 K C 0.840 177.452 176.600 0.020 0.000 1.008 64 K CA -0.295 56.018 56.287 0.042 0.000 0.928 64 K CB 0.872 33.395 32.500 0.039 0.000 0.983 64 K HN 0.124 nan 8.250 nan 0.000 0.484 65 S N 1.199 116.896 115.700 -0.004 0.000 2.589 65 S HA 0.047 4.441 4.470 -0.127 0.000 0.265 65 S C 1.330 175.849 174.600 -0.135 0.000 1.342 65 S CA -0.501 57.668 58.200 -0.052 0.000 1.005 65 S CB 0.329 63.512 63.200 -0.027 0.000 0.909 65 S HN 0.540 nan 8.310 nan 0.000 0.555 66 L N 0.325 121.378 121.223 -0.283 0.000 2.141 66 L HA -0.068 4.195 4.340 -0.127 0.000 0.209 66 L C 2.590 179.126 176.870 -0.557 0.000 1.094 66 L CA 1.128 55.586 54.840 -0.637 0.000 0.763 66 L CB -0.779 40.847 42.059 -0.721 0.000 0.908 66 L HN 0.740 nan 8.230 nan 0.000 0.437 67 H N -0.429 118.532 119.070 -0.181 0.000 2.363 67 H HA -0.074 4.405 4.556 -0.128 0.000 0.301 67 H C 2.390 177.760 175.328 0.070 0.000 1.074 67 H CA 1.571 57.629 56.048 0.016 0.000 1.354 67 H CB -0.582 29.242 29.762 0.103 0.000 1.397 67 H HN 0.210 nan 8.280 nan 0.000 0.516 68 T N 1.796 116.439 114.554 0.149 0.000 2.607 68 T HA -0.158 4.116 4.350 -0.127 0.000 0.267 68 T C 2.457 177.215 174.700 0.095 0.000 1.049 68 T CA 1.485 63.648 62.100 0.104 0.000 1.162 68 T CB -0.554 68.346 68.868 0.053 0.000 0.863 68 T HN 0.142 nan 8.240 nan 0.000 0.424 69 L N -0.303 120.944 121.223 0.039 0.000 1.970 69 L HA -0.080 4.184 4.340 -0.127 0.000 0.212 69 L C 2.529 179.579 176.870 0.301 0.000 1.071 69 L CA 1.415 56.305 54.840 0.084 0.000 0.751 69 L CB -0.632 41.459 42.059 0.054 0.000 0.889 69 L HN 0.192 nan 8.230 nan 0.000 0.432 70 F N 0.160 120.234 119.950 0.206 0.000 2.234 70 F HA -0.044 4.406 4.527 -0.128 0.000 0.299 70 F C 2.426 178.377 175.800 0.251 0.000 1.087 70 F CA 0.873 59.051 58.000 0.297 0.000 1.340 70 F CB -1.746 37.414 39.000 0.266 0.000 1.031 70 F HN 0.028 nan 8.300 nan 0.000 0.500 71 G N -0.306 108.740 108.800 0.410 0.000 2.394 71 G HA2 -0.193 3.691 3.960 -0.127 0.000 0.215 71 G HA3 -0.193 3.691 3.960 -0.127 0.000 0.215 71 G C 1.315 176.359 174.900 0.240 0.000 1.165 71 G CA 0.691 46.006 45.100 0.359 0.000 0.784 71 G HN 0.198 nan 8.290 nan 0.000 0.535 72 D N 0.329 120.831 120.400 0.170 0.000 2.123 72 D HA -0.073 4.491 4.640 -0.127 0.000 0.196 72 D C 2.312 178.635 176.300 0.038 0.000 0.992 72 D CA 1.030 55.079 54.000 0.082 0.000 0.833 72 D CB 0.001 40.826 40.800 0.042 0.000 0.954 72 D HN 0.201 nan 8.370 nan 0.000 0.455 73 K N 0.359 120.786 120.400 0.046 0.000 2.007 73 K HA 0.045 4.288 4.320 -0.127 0.000 0.206 73 K C 2.090 178.581 176.600 -0.182 0.000 1.047 73 K CA 0.617 56.869 56.287 -0.058 0.000 0.937 73 K CB -0.610 31.875 32.500 -0.024 0.000 0.718 73 K HN 0.072 nan 8.250 nan 0.000 0.438 74 L N 0.217 121.294 121.223 -0.243 0.000 2.034 74 L HA -0.361 3.903 4.340 -0.127 0.000 0.217 74 L C 2.401 179.210 176.870 -0.102 0.000 1.077 74 L CA 1.659 56.343 54.840 -0.258 0.000 0.769 74 L CB -0.537 41.417 42.059 -0.175 0.000 0.890 74 L HN 0.332 nan 8.230 nan 0.000 0.435 75 c N -0.450 118.160 118.600 0.015 0.000 2.422 75 c HA -0.139 4.355 4.570 -0.127 0.000 0.286 75 c C 2.877 176.923 174.090 -0.074 0.000 1.412 75 c CA 1.320 57.652 56.329 0.006 0.000 1.786 75 c CB -1.298 41.241 42.510 0.048 0.000 1.835 75 c HN 0.689 nan 8.230 nan 0.000 0.533 76 T N -1.671 112.830 114.554 -0.089 0.000 2.929 76 T HA -0.076 4.198 4.350 -0.127 0.000 0.271 76 T C 1.294 175.919 174.700 -0.125 0.000 1.085 76 T CA 1.691 63.733 62.100 -0.097 0.000 1.125 76 T CB -0.264 68.548 68.868 -0.093 0.000 0.874 76 T HN 0.380 nan 8.240 nan 0.000 0.494 77 V N 0.129 119.940 119.914 -0.173 0.000 3.523 77 V HA 0.480 4.524 4.120 -0.127 0.000 0.255 77 V C 2.766 178.621 176.094 -0.398 0.000 1.226 77 V CA 0.436 62.609 62.300 -0.213 0.000 1.092 77 V CB -0.244 31.454 31.823 -0.210 0.000 0.817 77 V HN 0.577 nan 8.190 nan 0.000 0.458 78 A N 0.495 123.069 122.820 -0.410 0.000 1.943 78 A HA -0.049 4.195 4.320 -0.127 0.000 0.213 78 A C 2.190 179.526 177.584 -0.414 0.000 1.181 78 A CA 1.668 53.326 52.037 -0.631 0.000 0.653 78 A CB -0.687 18.133 19.000 -0.300 0.000 0.833 78 A HN 0.435 nan 8.150 nan 0.000 0.451 79 T N 0.533 114.955 114.554 -0.221 0.000 3.025 79 T HA 0.047 4.321 4.350 -0.127 0.000 0.270 79 T C 0.255 174.895 174.700 -0.100 0.000 1.126 79 T CA 0.494 62.511 62.100 -0.138 0.000 1.105 79 T CB -0.482 68.328 68.868 -0.096 0.000 0.884 79 T HN 0.118 nan 8.240 nan 0.000 0.522 80 L N 2.467 123.631 121.223 -0.098 0.000 2.305 80 L HA 0.454 4.718 4.340 -0.127 0.000 0.281 80 L C 0.473 177.366 176.870 0.039 0.000 1.085 80 L CA -0.244 54.583 54.840 -0.021 0.000 0.813 80 L CB 0.845 42.909 42.059 0.009 0.000 1.157 80 L HN 0.138 nan 8.230 nan 0.000 0.436 81 R N 0.541 121.080 120.500 0.066 0.000 2.593 81 R HA 0.261 4.525 4.340 -0.127 0.000 0.258 81 R C 0.238 176.590 176.300 0.087 0.000 1.410 81 R CA -0.309 55.860 56.100 0.115 0.000 1.537 81 R CB -0.566 29.772 30.300 0.064 0.000 1.362 81 R HN 0.622 nan 8.270 nan 0.000 0.734 82 E N 0.526 120.776 120.200 0.083 0.000 2.030 82 E HA -0.040 4.234 4.350 -0.127 0.000 0.189 82 E C 0.442 177.067 176.600 0.040 0.000 0.974 82 E CA 1.673 58.102 56.400 0.048 0.000 0.807 82 E CB 0.320 30.040 29.700 0.033 0.000 0.771 82 E HN 0.396 nan 8.360 nan 0.000 0.451 83 T N -0.396 114.177 114.554 0.032 0.000 2.937 83 T HA -0.039 4.234 4.350 -0.127 0.000 0.260 83 T C 1.355 176.026 174.700 -0.049 0.000 1.051 83 T CA 0.555 62.635 62.100 -0.033 0.000 1.141 83 T CB -0.310 68.499 68.868 -0.099 0.000 0.879 83 T HN 0.197 nan 8.240 nan 0.000 0.459 84 Y N 1.600 121.906 120.300 0.010 0.000 2.421 84 Y HA 0.124 4.597 4.550 -0.128 0.000 0.292 84 Y C 2.220 178.131 175.900 0.018 0.000 1.136 84 Y CA 0.683 58.794 58.100 0.017 0.000 1.255 84 Y CB -0.587 37.881 38.460 0.013 0.000 0.991 84 Y HN 0.411 nan 8.280 nan 0.000 0.552 85 G N -0.247 108.642 108.800 0.148 0.000 4.886 85 G HA2 -0.322 3.562 3.960 -0.127 0.000 0.305 85 G HA3 -0.322 3.562 3.960 -0.127 0.000 0.305 85 G C 0.889 175.833 174.900 0.073 0.000 1.483 85 G CA 0.544 45.697 45.100 0.089 0.000 1.029 85 G HN 0.299 nan 8.290 nan 0.000 0.746 86 E N -0.004 120.242 120.200 0.077 0.000 2.876 86 E HA 0.320 4.594 4.350 -0.127 0.000 0.208 86 E C 1.305 177.856 176.600 -0.082 0.000 0.981 86 E CA -0.322 56.098 56.400 0.032 0.000 1.174 86 E CB 0.401 30.161 29.700 0.100 0.000 1.047 86 E HN 0.461 nan 8.360 nan 0.000 0.477 87 M N -0.463 119.099 119.600 -0.062 0.000 2.428 87 M HA 0.225 4.629 4.480 -0.127 0.000 0.239 87 M C 1.543 177.727 176.300 -0.193 0.000 1.121 87 M CA 0.174 55.378 55.300 -0.160 0.000 1.019 87 M CB 0.119 32.731 32.600 0.019 0.000 1.485 87 M HN 0.032 nan 8.290 nan 0.000 0.484 88 A N -0.345 122.387 122.820 -0.148 0.000 2.178 88 A HA -0.052 4.192 4.320 -0.127 0.000 0.211 88 A C 1.791 179.275 177.584 -0.166 0.000 1.157 88 A CA 0.791 52.740 52.037 -0.148 0.000 0.780 88 A CB -0.271 18.671 19.000 -0.097 0.000 0.828 88 A HN 0.283 nan 8.150 nan 0.000 0.476 89 D N 0.104 120.390 120.400 -0.190 0.000 2.084 89 D HA -0.148 4.416 4.640 -0.127 0.000 0.194 89 D C 1.825 177.966 176.300 -0.265 0.000 0.990 89 D CA 1.621 55.508 54.000 -0.189 0.000 0.826 89 D CB -0.364 40.333 40.800 -0.173 0.000 0.971 89 D HN 0.406 nan 8.370 nan 0.000 0.453 90 c N 0.016 118.359 118.600 -0.429 0.000 2.422 90 c HA -0.112 4.382 4.570 -0.127 0.000 0.279 90 c C 2.945 176.755 174.090 -0.467 0.000 1.305 90 c CA 0.252 56.233 56.329 -0.580 0.000 1.757 90 c CB -1.097 40.749 42.510 -1.106 0.000 1.962 90 c HN 0.485 nan 8.230 nan 0.000 0.499 91 c N 0.854 119.249 118.600 -0.342 0.000 2.522 91 c HA 0.177 4.671 4.570 -0.127 0.000 0.271 91 c C 2.598 176.611 174.090 -0.128 0.000 1.425 91 c CA 0.719 56.934 56.329 -0.190 0.000 1.751 91 c CB -1.669 40.766 42.510 -0.125 0.000 1.775 91 c HN 0.700 nan 8.230 nan 0.000 0.557 92 A N -0.076 122.662 122.820 -0.136 0.000 2.275 92 A HA 0.164 4.408 4.320 -0.127 0.000 0.212 92 A C 0.686 178.220 177.584 -0.083 0.000 1.201 92 A CA 0.384 52.365 52.037 -0.093 0.000 0.843 92 A CB -0.069 18.881 19.000 -0.085 0.000 0.873 92 A HN 0.648 nan 8.150 nan 0.000 0.492 93 K N -0.351 119.988 120.400 -0.103 0.000 2.238 93 K HA 0.555 4.799 4.320 -0.127 0.000 0.239 93 K C -0.927 175.643 176.600 -0.051 0.000 0.987 93 K CA -0.742 55.498 56.287 -0.078 0.000 0.857 93 K CB 1.026 33.465 32.500 -0.101 0.000 1.154 93 K HN 0.106 nan 8.250 nan 0.000 0.439 94 Q N 1.184 120.969 119.800 -0.025 0.000 2.226 94 Q HA 0.169 4.433 4.340 -0.127 0.000 0.256 94 Q C -0.774 175.237 176.000 0.019 0.000 0.962 94 Q CA -0.521 55.283 55.803 0.002 0.000 0.887 94 Q CB 1.141 29.883 28.738 0.007 0.000 1.282 94 Q HN 0.261 nan 8.270 nan 0.000 0.449 95 E N 2.301 122.531 120.200 0.049 0.000 2.413 95 E HA 0.003 4.277 4.350 -0.127 0.000 0.263 95 E C -1.628 175.013 176.600 0.068 0.000 1.015 95 E CA -1.009 55.439 56.400 0.080 0.000 0.916 95 E CB 0.327 30.100 29.700 0.123 0.000 0.947 95 E HN 0.447 nan 8.360 nan 0.000 0.440 96 P HA 0.138 nan 4.420 nan 0.000 0.262 96 P C 0.283 177.626 177.300 0.071 0.000 1.304 96 P CA 0.194 63.360 63.100 0.109 0.000 0.859 96 P CB 0.602 32.381 31.700 0.132 0.000 1.310 97 E N 0.339 120.559 120.200 0.032 0.000 2.152 97 E HA -0.075 4.199 4.350 -0.127 0.000 0.192 97 E C 2.173 178.745 176.600 -0.048 0.000 0.983 97 E CA 0.727 57.126 56.400 -0.002 0.000 0.818 97 E CB -0.399 29.293 29.700 -0.014 0.000 0.758 97 E HN 0.156 nan 8.360 nan 0.000 0.467 98 R N 0.633 121.099 120.500 -0.056 0.000 2.091 98 R HA -0.175 4.088 4.340 -0.127 0.000 0.238 98 R C 2.020 178.245 176.300 -0.125 0.000 1.136 98 R CA 1.818 57.833 56.100 -0.141 0.000 0.959 98 R CB -0.185 30.072 30.300 -0.072 0.000 0.856 98 R HN 0.126 nan 8.270 nan 0.000 0.437 99 N N 0.123 118.819 118.700 -0.007 0.000 2.142 99 N HA -0.161 4.503 4.740 -0.127 0.000 0.186 99 N C 1.310 176.752 175.510 -0.113 0.000 1.023 99 N CA 1.603 54.630 53.050 -0.039 0.000 0.852 99 N CB 0.108 38.478 38.487 -0.196 0.000 0.998 99 N HN 0.323 nan 8.380 nan 0.000 0.424 100 E N -0.231 119.932 120.200 -0.061 0.000 2.070 100 E HA -0.266 4.008 4.350 -0.127 0.000 0.197 100 E C 2.145 178.709 176.600 -0.060 0.000 1.004 100 E CA 1.373 57.753 56.400 -0.034 0.000 0.805 100 E CB -0.379 29.329 29.700 0.013 0.000 0.744 100 E HN 0.485 nan 8.360 nan 0.000 0.451 101 c N 0.184 118.721 118.600 -0.105 0.000 2.432 101 c HA -0.152 4.342 4.570 -0.127 0.000 0.277 101 c C 2.407 176.401 174.090 -0.160 0.000 1.249 101 c CA 0.489 56.740 56.329 -0.130 0.000 1.725 101 c CB -1.155 41.194 42.510 -0.269 0.000 2.028 101 c HN 0.324 nan 8.230 nan 0.000 0.477 102 F N 1.290 121.063 119.950 -0.295 0.000 2.065 102 F HA -0.103 4.347 4.527 -0.128 0.000 0.298 102 F C 2.316 177.801 175.800 -0.525 0.000 1.112 102 F CA 1.813 59.493 58.000 -0.533 0.000 1.212 102 F CB -1.098 37.297 39.000 -1.009 0.000 0.975 102 F HN 0.178 nan 8.300 nan 0.000 0.476 103 L N -0.341 120.700 121.223 -0.303 0.000 2.021 103 L HA -0.323 3.941 4.340 -0.127 0.000 0.215 103 L C 2.595 179.440 176.870 -0.042 0.000 1.074 103 L CA 1.960 56.685 54.840 -0.191 0.000 0.760 103 L CB -0.835 41.151 42.059 -0.122 0.000 0.889 103 L HN 0.291 nan 8.230 nan 0.000 0.433 104 Q N -0.420 119.385 119.800 0.009 0.000 2.234 104 Q HA -0.238 4.026 4.340 -0.127 0.000 0.206 104 Q C 1.337 177.320 176.000 -0.029 0.000 0.980 104 Q CA 1.644 57.456 55.803 0.014 0.000 0.869 104 Q CB 0.059 28.809 28.738 0.021 0.000 0.912 104 Q HN 0.604 nan 8.270 nan 0.000 0.436 105 H N -0.331 118.709 119.070 -0.050 0.000 2.529 105 H HA 0.268 4.747 4.556 -0.127 0.000 0.277 105 H C -0.320 175.012 175.328 0.008 0.000 1.004 105 H CA -0.145 55.894 56.048 -0.017 0.000 1.167 105 H CB 0.374 30.127 29.762 -0.016 0.000 1.445 105 H HN 0.018 nan 8.280 nan 0.000 0.554 106 K N 1.470 121.919 120.400 0.082 0.000 2.489 106 K HA -0.034 4.210 4.320 -0.127 0.000 0.278 106 K C -0.361 176.308 176.600 0.116 0.000 1.000 106 K CA 0.411 56.738 56.287 0.068 0.000 1.012 106 K CB 0.385 32.867 32.500 -0.031 0.000 0.903 106 K HN 0.161 nan 8.250 nan 0.000 0.485 107 D N 2.233 122.697 120.400 0.107 0.000 2.440 107 D HA 0.092 4.656 4.640 -0.127 0.000 0.239 107 D C -0.016 176.333 176.300 0.080 0.000 1.084 107 D CA -0.360 53.688 54.000 0.079 0.000 0.843 107 D CB 1.009 41.840 40.800 0.051 0.000 1.097 107 D HN 0.377 nan 8.370 nan 0.000 0.531 108 D N 2.319 122.765 120.400 0.078 0.000 2.312 108 D HA -0.095 4.469 4.640 -0.127 0.000 0.211 108 D C 0.264 176.550 176.300 -0.024 0.000 0.964 108 D CA 0.724 54.747 54.000 0.039 0.000 0.877 108 D CB 0.364 41.165 40.800 0.001 0.000 0.924 108 D HN 0.459 nan 8.370 nan 0.000 0.515 109 N N 0.506 119.193 118.700 -0.022 0.000 2.703 109 N HA 0.124 4.787 4.740 -0.127 0.000 0.283 109 N C -2.804 172.686 175.510 -0.034 0.000 1.851 109 N CA -1.202 51.824 53.050 -0.041 0.000 0.826 109 N CB 1.345 39.813 38.487 -0.033 0.000 1.239 109 N HN -0.162 nan 8.380 nan 0.000 0.495 110 P HA 0.054 nan 4.420 nan 0.000 0.275 110 P C -0.929 176.348 177.300 -0.038 0.000 1.227 110 P CA 0.012 63.094 63.100 -0.030 0.000 0.781 110 P CB 0.719 32.399 31.700 -0.033 0.000 0.906 111 N N 3.171 121.854 118.700 -0.028 0.000 2.498 111 N HA 0.144 4.808 4.740 -0.127 0.000 0.277 111 N C -0.340 175.151 175.510 -0.033 0.000 1.208 111 N CA -0.069 52.964 53.050 -0.028 0.000 1.029 111 N CB -0.106 38.368 38.487 -0.022 0.000 1.403 111 N HN 0.323 nan 8.380 nan 0.000 0.500 112 L N 2.097 123.296 121.223 -0.041 0.000 2.370 112 L HA 0.506 4.770 4.340 -0.127 0.000 0.266 112 L C -2.131 174.715 176.870 -0.040 0.000 1.002 112 L CA -2.110 52.703 54.840 -0.045 0.000 0.818 112 L CB 1.884 43.903 42.059 -0.068 0.000 1.325 112 L HN 0.149 nan 8.230 nan 0.000 0.418 113 P HA 0.022 nan 4.420 nan 0.000 0.261 113 P C -0.523 176.760 177.300 -0.028 0.000 1.183 113 P CA -0.228 62.858 63.100 -0.024 0.000 0.761 113 P CB 0.255 31.945 31.700 -0.017 0.000 0.785 114 R N 3.789 124.277 120.500 -0.021 0.000 4.779 114 R HA 0.306 4.570 4.340 -0.127 0.000 0.217 114 R C -0.467 175.828 176.300 -0.008 0.000 1.934 114 R CA -0.662 55.427 56.100 -0.018 0.000 1.623 114 R CB -1.015 29.277 30.300 -0.014 0.000 1.364 114 R HN 0.217 nan 8.270 nan 0.000 0.799 115 L N 0.417 121.633 121.223 -0.012 0.000 2.931 115 L HA -0.220 4.044 4.340 -0.127 0.000 0.514 115 L C -1.173 175.705 176.870 0.014 0.000 1.002 115 L CA 1.009 55.846 54.840 -0.005 0.000 1.270 115 L CB 0.018 42.069 42.059 -0.014 0.000 1.204 115 L HN 0.418 nan 8.230 nan 0.000 0.600 116 V N 6.496 126.424 119.914 0.024 0.000 2.610 116 V HA 0.541 4.585 4.120 -0.127 0.000 0.298 116 V C -0.009 176.118 176.094 0.055 0.000 1.067 116 V CA -0.628 61.694 62.300 0.036 0.000 0.894 116 V CB 1.602 33.441 31.823 0.027 0.000 1.015 116 V HN 0.809 nan 8.190 nan 0.000 0.432 117 R N 6.195 126.739 120.500 0.074 0.000 2.484 117 R HA 0.372 4.636 4.340 -0.127 0.000 0.293 117 R C -2.455 173.903 176.300 0.096 0.000 1.023 117 R CA -0.905 55.259 56.100 0.107 0.000 1.037 117 R CB -0.142 30.235 30.300 0.129 0.000 0.951 117 R HN 0.460 nan 8.270 nan 0.000 0.418 118 P HA 0.106 nan 4.420 nan 0.000 0.286 118 P C -0.802 176.563 177.300 0.107 0.000 1.293 118 P CA -0.609 62.550 63.100 0.099 0.000 0.770 118 P CB 0.413 32.177 31.700 0.105 0.000 1.206 119 E N -0.977 119.275 120.200 0.088 0.000 2.422 119 E HA 0.024 4.298 4.350 -0.127 0.000 0.260 119 E C 1.099 177.760 176.600 0.101 0.000 1.108 119 E CA -0.233 56.214 56.400 0.077 0.000 0.943 119 E CB -0.121 29.613 29.700 0.057 0.000 0.961 119 E HN -0.008 nan 8.360 nan 0.000 0.443 120 V N 1.729 121.692 119.914 0.082 0.000 2.343 120 V HA -0.254 3.790 4.120 -0.127 0.000 0.247 120 V C 1.244 177.400 176.094 0.105 0.000 1.051 120 V CA 2.055 64.411 62.300 0.093 0.000 1.036 120 V CB -0.344 31.500 31.823 0.035 0.000 0.654 120 V HN 0.640 nan 8.190 nan 0.000 0.451 121 D N -0.276 120.168 120.400 0.073 0.000 2.144 121 D HA -0.116 4.448 4.640 -0.127 0.000 0.200 121 D C 2.129 178.470 176.300 0.068 0.000 0.978 121 D CA 1.175 55.214 54.000 0.065 0.000 0.833 121 D CB -0.231 40.595 40.800 0.043 0.000 0.961 121 D HN 0.315 nan 8.370 nan 0.000 0.470 122 V N 0.810 120.768 119.914 0.072 0.000 2.407 122 V HA -0.218 3.825 4.120 -0.127 0.000 0.248 122 V C 2.462 178.600 176.094 0.073 0.000 1.055 122 V CA 1.212 63.554 62.300 0.070 0.000 1.049 122 V CB -0.330 31.539 31.823 0.076 0.000 0.662 122 V HN 0.220 nan 8.190 nan 0.000 0.455 123 M N -1.264 118.404 119.600 0.113 0.000 2.123 123 M HA -0.175 4.229 4.480 -0.127 0.000 0.263 123 M C 2.418 178.634 176.300 -0.140 0.000 1.069 123 M CA 1.733 57.084 55.300 0.086 0.000 1.133 123 M CB -0.582 32.225 32.600 0.346 0.000 1.356 123 M HN 0.399 nan 8.290 nan 0.000 0.415 124 c N 0.278 118.916 118.600 0.062 0.000 2.413 124 c HA -0.138 4.356 4.570 -0.127 0.000 0.277 124 c C 2.791 176.927 174.090 0.076 0.000 1.265 124 c CA 1.350 57.751 56.329 0.120 0.000 1.752 124 c CB -1.138 41.498 42.510 0.209 0.000 1.998 124 c HN 0.586 nan 8.230 nan 0.000 0.489 125 T N 1.444 116.019 114.554 0.036 0.000 2.544 125 T HA -0.264 4.010 4.350 -0.127 0.000 0.264 125 T C 2.123 176.795 174.700 -0.047 0.000 1.096 125 T CA 2.255 64.365 62.100 0.017 0.000 1.181 125 T CB -0.688 68.192 68.868 0.020 0.000 0.864 125 T HN 0.662 nan 8.240 nan 0.000 0.415 126 A N 0.998 123.755 122.820 -0.104 0.000 1.908 126 A HA -0.062 4.181 4.320 -0.127 0.000 0.218 126 A C 2.065 179.441 177.584 -0.346 0.000 1.181 126 A CA 1.777 53.735 52.037 -0.132 0.000 0.627 126 A CB -1.109 17.902 19.000 0.018 0.000 0.818 126 A HN 0.481 nan 8.150 nan 0.000 0.445 127 F N 0.421 119.785 119.950 -0.976 0.000 2.154 127 F HA -0.250 4.202 4.527 -0.126 0.000 0.301 127 F C 2.065 177.538 175.800 -0.546 0.000 1.087 127 F CA 2.408 59.770 58.000 -1.064 0.000 1.274 127 F CB -0.524 37.713 39.000 -1.272 0.000 1.009 127 F HN 0.443 nan 8.300 nan 0.000 0.485 128 H N -1.877 116.952 119.070 -0.402 0.000 2.547 128 H HA 0.031 4.511 4.556 -0.126 0.000 0.272 128 H C 1.663 176.841 175.328 -0.252 0.000 0.971 128 H CA 0.948 56.767 56.048 -0.382 0.000 1.245 128 H CB -0.041 29.605 29.762 -0.194 0.000 1.440 128 H HN 0.226 nan 8.280 nan 0.000 0.540 129 D N -0.127 120.222 120.400 -0.086 0.000 2.097 129 D HA -0.093 4.471 4.640 -0.127 0.000 0.197 129 D C 0.253 176.516 176.300 -0.062 0.000 0.984 129 D CA 0.979 54.949 54.000 -0.050 0.000 0.826 129 D CB 0.378 41.164 40.800 -0.023 0.000 0.973 129 D HN 0.109 nan 8.370 nan 0.000 0.460 130 N N -0.552 118.097 118.700 -0.085 0.000 2.664 130 N HA -0.031 4.633 4.740 -0.127 0.000 0.268 130 N C -0.014 175.451 175.510 -0.076 0.000 1.222 130 N CA -0.011 53.002 53.050 -0.060 0.000 0.805 130 N CB 1.052 39.548 38.487 0.014 0.000 1.399 130 N HN 0.163 nan 8.380 nan 0.000 0.547 131 E N 2.050 122.129 120.200 -0.200 0.000 2.204 131 E HA -0.125 4.149 4.350 -0.127 0.000 0.194 131 E C 0.262 176.903 176.600 0.068 0.000 0.989 131 E CA 0.987 57.260 56.400 -0.212 0.000 0.824 131 E CB 0.211 29.558 29.700 -0.587 0.000 0.756 131 E HN 0.421 nan 8.360 nan 0.000 0.477 132 E N 1.065 121.299 120.200 0.056 0.000 2.017 132 E HA -0.138 4.136 4.350 -0.127 0.000 0.193 132 E C 2.292 178.994 176.600 0.169 0.000 0.997 132 E CA 1.905 58.370 56.400 0.109 0.000 0.804 132 E CB -0.740 29.007 29.700 0.078 0.000 0.757 132 E HN 0.339 nan 8.360 nan 0.000 0.448 133 T N 1.577 116.235 114.554 0.174 0.000 2.803 133 T HA -0.152 4.122 4.350 -0.127 0.000 0.269 133 T C 1.604 176.439 174.700 0.225 0.000 1.052 133 T CA 1.062 63.306 62.100 0.240 0.000 1.136 133 T CB -0.426 68.575 68.868 0.222 0.000 0.864 133 T HN 0.099 nan 8.240 nan 0.000 0.467 134 F N 1.498 121.485 119.950 0.063 0.000 2.171 134 F HA 0.020 4.473 4.527 -0.124 0.000 0.300 134 F C 1.779 177.644 175.800 0.108 0.000 1.090 134 F CA 1.058 59.084 58.000 0.043 0.000 1.293 134 F CB -0.308 38.709 39.000 0.029 0.000 1.013 134 F HN 0.073 nan 8.300 nan 0.000 0.486 135 L N -0.480 120.868 121.223 0.209 0.000 2.209 135 L HA -0.077 4.186 4.340 -0.127 0.000 0.207 135 L C 2.234 179.179 176.870 0.124 0.000 1.094 135 L CA 0.818 55.766 54.840 0.181 0.000 0.790 135 L CB -0.594 41.617 42.059 0.254 0.000 0.932 135 L HN -0.072 nan 8.230 nan 0.000 0.447 136 K N 0.375 120.867 120.400 0.153 0.000 2.147 136 K HA -0.208 4.036 4.320 -0.127 0.000 0.205 136 K C 2.079 178.766 176.600 0.146 0.000 1.049 136 K CA 1.152 57.565 56.287 0.210 0.000 0.936 136 K CB -0.028 32.684 32.500 0.353 0.000 0.722 136 K HN 0.030 nan 8.250 nan 0.000 0.446 137 K N 0.361 120.697 120.400 -0.107 0.000 2.026 137 K HA -0.187 4.057 4.320 -0.127 0.000 0.208 137 K C 1.973 178.450 176.600 -0.205 0.000 1.048 137 K CA 1.280 57.336 56.287 -0.386 0.000 0.929 137 K CB -0.299 31.900 32.500 -0.502 0.000 0.713 137 K HN 0.147 nan 8.250 nan 0.000 0.439 138 Y N 0.824 120.907 120.300 -0.363 0.000 2.145 138 Y HA -0.209 4.266 4.550 -0.126 0.000 0.286 138 Y C 1.540 177.254 175.900 -0.309 0.000 1.145 138 Y CA 1.633 59.463 58.100 -0.450 0.000 1.148 138 Y CB -0.159 37.834 38.460 -0.778 0.000 0.981 138 Y HN -0.005 nan 8.280 nan 0.000 0.507 139 L N -1.069 120.060 121.223 -0.156 0.000 1.970 139 L HA -0.273 3.991 4.340 -0.127 0.000 0.212 139 L C 2.431 179.196 176.870 -0.176 0.000 1.071 139 L CA 1.976 56.696 54.840 -0.199 0.000 0.751 139 L CB -1.115 40.923 42.059 -0.034 0.000 0.889 139 L HN 0.348 nan 8.230 nan 0.000 0.432 140 Y N 1.199 121.423 120.300 -0.127 0.000 2.069 140 Y HA -0.318 4.159 4.550 -0.122 0.000 0.278 140 Y C 2.591 178.415 175.900 -0.125 0.000 1.175 140 Y CA 1.933 60.001 58.100 -0.053 0.000 1.134 140 Y CB -0.256 38.293 38.460 0.148 0.000 0.965 140 Y HN 0.185 nan 8.280 nan 0.000 0.498 141 E N -0.244 119.726 120.200 -0.383 0.000 2.152 141 E HA -0.114 4.160 4.350 -0.127 0.000 0.192 141 E C 2.266 178.630 176.600 -0.393 0.000 0.983 141 E CA 1.013 57.127 56.400 -0.476 0.000 0.818 141 E CB -0.055 29.458 29.700 -0.312 0.000 0.758 141 E HN 0.506 nan 8.360 nan 0.000 0.467 142 I N 0.966 121.257 120.570 -0.466 0.000 2.277 142 I HA -0.096 3.998 4.170 -0.127 0.000 0.243 142 I C 2.448 178.432 176.117 -0.222 0.000 1.094 142 I CA 0.775 61.839 61.300 -0.393 0.000 1.393 142 I CB -1.528 36.009 38.000 -0.770 0.000 1.078 142 I HN -0.085 nan 8.210 nan 0.000 0.417 143 A N 2.114 124.759 122.820 -0.293 0.000 1.877 143 A HA -0.222 4.022 4.320 -0.127 0.000 0.216 143 A C 2.444 179.963 177.584 -0.108 0.000 1.186 143 A CA 1.935 53.869 52.037 -0.171 0.000 0.620 143 A CB -0.708 18.184 19.000 -0.180 0.000 0.822 143 A HN 0.534 nan 8.150 nan 0.000 0.443 144 R N -0.805 119.575 120.500 -0.200 0.000 2.189 144 R HA -0.003 4.261 4.340 -0.127 0.000 0.223 144 R C 1.812 178.027 176.300 -0.142 0.000 1.092 144 R CA 1.472 57.466 56.100 -0.177 0.000 0.989 144 R CB -0.293 29.816 30.300 -0.319 0.000 0.876 144 R HN 0.434 nan 8.270 nan 0.000 0.457 145 R N -0.410 119.992 120.500 -0.163 0.000 2.254 145 R HA 0.129 4.393 4.340 -0.127 0.000 0.195 145 R C 0.105 176.179 176.300 -0.378 0.000 0.957 145 R CA 0.375 56.332 56.100 -0.239 0.000 1.024 145 R CB 0.398 30.543 30.300 -0.258 0.000 0.952 145 R HN 0.333 nan 8.270 nan 0.000 0.484 146 H N 0.311 119.388 119.070 0.012 0.000 2.348 146 H HA 0.167 4.632 4.556 -0.151 0.000 0.232 146 H C -1.995 173.419 175.328 0.143 0.000 1.419 146 H CA -1.719 54.400 56.048 0.118 0.000 1.416 146 H CB 1.437 31.338 29.762 0.231 0.000 1.510 146 H HN 0.057 nan 8.280 nan 0.000 0.507 147 P HA -0.097 nan 4.420 nan 0.000 0.237 147 P C 0.360 177.630 177.300 -0.051 0.000 1.178 147 P CA 0.838 63.965 63.100 0.045 0.000 0.766 147 P CB 0.072 31.766 31.700 -0.011 0.000 0.876 148 Y N -2.057 118.319 120.300 0.126 0.000 2.524 148 Y HA 0.284 4.769 4.550 -0.108 0.000 0.266 148 Y C 0.910 176.898 175.900 0.146 0.000 1.180 148 Y CA -1.113 57.056 58.100 0.114 0.000 1.244 148 Y CB -0.695 37.798 38.460 0.055 0.000 1.125 148 Y HN -0.209 nan 8.280 nan 0.000 0.524 149 F N 1.094 121.148 119.950 0.173 0.000 2.608 149 F HA -0.040 4.462 4.527 -0.042 0.000 0.380 149 F C 0.432 176.339 175.800 0.178 0.000 1.083 149 F CA -0.851 57.219 58.000 0.117 0.000 1.266 149 F CB 0.098 39.100 39.000 0.004 0.000 1.076 149 F HN 0.057 nan 8.300 nan 0.000 0.574 150 Y N 6.601 127.022 120.300 0.201 0.000 2.770 150 Y HA 0.186 4.663 4.550 -0.122 0.000 0.342 150 Y C 0.896 177.004 175.900 0.346 0.000 1.221 150 Y CA -0.489 57.755 58.100 0.239 0.000 1.560 150 Y CB 0.228 38.790 38.460 0.169 0.000 1.213 150 Y HN 0.724 nan 8.280 nan 0.000 0.525 151 A N 7.788 130.775 122.820 0.279 0.000 1.897 151 A HA -0.039 4.205 4.320 -0.127 0.000 0.215 151 A C -0.388 177.186 177.584 -0.017 0.000 1.181 151 A CA 1.034 53.132 52.037 0.102 0.000 0.620 151 A CB -1.465 17.560 19.000 0.042 0.000 0.821 151 A HN 0.618 nan 8.150 nan 0.000 0.443 152 P HA -0.162 nan 4.420 nan 0.000 0.215 152 P C 1.264 178.510 177.300 -0.090 0.000 1.153 152 P CA 1.176 64.164 63.100 -0.188 0.000 0.853 152 P CB -0.025 31.468 31.700 -0.346 0.000 0.788 153 E N -0.847 119.276 120.200 -0.127 0.000 2.150 153 E HA -0.123 4.151 4.350 -0.127 0.000 0.193 153 E C 1.823 178.722 176.600 0.498 0.000 0.985 153 E CA 0.668 57.234 56.400 0.277 0.000 0.814 153 E CB -0.780 29.161 29.700 0.402 0.000 0.752 153 E HN 0.147 nan 8.360 nan 0.000 0.466 154 L N 0.777 122.170 121.223 0.284 0.000 2.201 154 L HA -0.093 4.170 4.340 -0.127 0.000 0.212 154 L C 2.059 178.986 176.870 0.095 0.000 1.105 154 L CA 1.134 55.942 54.840 -0.054 0.000 0.775 154 L CB -0.407 41.407 42.059 -0.409 0.000 0.913 154 L HN 0.073 nan 8.230 nan 0.000 0.440 155 L N -2.296 119.006 121.223 0.132 0.000 2.217 155 L HA -0.169 4.095 4.340 -0.127 0.000 0.211 155 L C 2.296 179.311 176.870 0.241 0.000 1.107 155 L CA 0.722 55.646 54.840 0.139 0.000 0.783 155 L CB -0.654 41.456 42.059 0.085 0.000 0.919 155 L HN 0.254 nan 8.230 nan 0.000 0.442 156 F N 0.564 120.591 119.950 0.130 0.000 2.149 156 F HA -0.088 4.359 4.527 -0.134 0.000 0.294 156 F C 2.174 178.016 175.800 0.071 0.000 1.095 156 F CA 0.918 58.962 58.000 0.073 0.000 1.276 156 F CB -0.489 38.539 39.000 0.046 0.000 1.023 156 F HN -0.134 nan 8.300 nan 0.000 0.480 157 F N 0.761 120.700 119.950 -0.018 0.000 2.120 157 F HA -0.194 4.264 4.527 -0.115 0.000 0.300 157 F C 2.638 178.390 175.800 -0.080 0.000 1.095 157 F CA 1.619 59.568 58.000 -0.086 0.000 1.249 157 F CB -1.390 37.665 39.000 0.092 0.000 0.995 157 F HN 0.067 nan 8.300 nan 0.000 0.480 158 A N -0.544 122.403 122.820 0.212 0.000 1.933 158 A HA -0.232 4.012 4.320 -0.127 0.000 0.218 158 A C 2.295 179.912 177.584 0.055 0.000 1.175 158 A CA 1.838 53.944 52.037 0.115 0.000 0.628 158 A CB -0.676 18.424 19.000 0.167 0.000 0.814 158 A HN 0.349 nan 8.150 nan 0.000 0.444 159 K N -0.569 119.849 120.400 0.031 0.000 2.062 159 K HA -0.081 4.163 4.320 -0.127 0.000 0.205 159 K C 2.260 178.812 176.600 -0.080 0.000 1.051 159 K CA 0.944 57.239 56.287 0.014 0.000 0.941 159 K CB -0.158 32.388 32.500 0.076 0.000 0.719 159 K HN 0.403 nan 8.250 nan 0.000 0.440 160 R N -0.580 119.775 120.500 -0.241 0.000 2.115 160 R HA -0.156 4.108 4.340 -0.127 0.000 0.230 160 R C 2.257 178.450 176.300 -0.178 0.000 1.111 160 R CA 1.197 57.119 56.100 -0.297 0.000 0.976 160 R CB -0.469 29.495 30.300 -0.561 0.000 0.870 160 R HN 0.295 nan 8.270 nan 0.000 0.445 161 Y N 2.280 122.404 120.300 -0.293 0.000 2.097 161 Y HA -0.276 4.201 4.550 -0.123 0.000 0.282 161 Y C 2.483 178.325 175.900 -0.096 0.000 1.152 161 Y CA 1.641 59.575 58.100 -0.276 0.000 1.136 161 Y CB -0.178 37.915 38.460 -0.611 0.000 0.975 161 Y HN -0.142 nan 8.280 nan 0.000 0.498 162 K N -0.094 120.289 120.400 -0.029 0.000 2.063 162 K HA -0.194 4.050 4.320 -0.127 0.000 0.208 162 K C 2.148 178.669 176.600 -0.131 0.000 1.048 162 K CA 1.322 57.578 56.287 -0.050 0.000 0.928 162 K CB -0.399 32.158 32.500 0.095 0.000 0.713 162 K HN 0.398 nan 8.250 nan 0.000 0.442 163 A N 0.838 123.593 122.820 -0.107 0.000 2.015 163 A HA -0.015 4.229 4.320 -0.127 0.000 0.219 163 A C 2.239 179.710 177.584 -0.189 0.000 1.163 163 A CA 1.519 53.491 52.037 -0.110 0.000 0.646 163 A CB -0.508 18.439 19.000 -0.088 0.000 0.806 163 A HN 0.469 nan 8.150 nan 0.000 0.448 164 A N -0.652 122.005 122.820 -0.271 0.000 1.865 164 A HA -0.062 4.182 4.320 -0.127 0.000 0.217 164 A C 1.898 179.182 177.584 -0.500 0.000 1.191 164 A CA 1.615 53.419 52.037 -0.387 0.000 0.623 164 A CB -0.832 17.872 19.000 -0.494 0.000 0.826 164 A HN 0.466 nan 8.150 nan 0.000 0.444 165 F N 0.667 120.245 119.950 -0.619 0.000 2.293 165 F HA -0.090 4.360 4.527 -0.129 0.000 0.300 165 F C 2.664 178.055 175.800 -0.682 0.000 1.086 165 F CA 1.671 59.158 58.000 -0.854 0.000 1.375 165 F CB -0.582 37.460 39.000 -1.597 0.000 1.045 165 F HN 0.155 nan 8.300 nan 0.000 0.516 166 T N -1.040 113.338 114.554 -0.293 0.000 2.770 166 T HA -0.157 4.117 4.350 -0.127 0.000 0.263 166 T C 1.912 176.623 174.700 0.017 0.000 1.039 166 T CA 1.266 63.377 62.100 0.018 0.000 1.142 166 T CB -0.171 68.738 68.868 0.068 0.000 0.868 166 T HN 0.268 nan 8.240 nan 0.000 0.435 167 E N -0.008 120.152 120.200 -0.067 0.000 2.015 167 E HA -0.113 4.161 4.350 -0.127 0.000 0.191 167 E C 2.465 179.026 176.600 -0.066 0.000 0.991 167 E CA 1.114 57.479 56.400 -0.059 0.000 0.802 167 E CB -0.095 29.552 29.700 -0.087 0.000 0.759 167 E HN 0.427 nan 8.360 nan 0.000 0.447 168 c N 0.265 118.781 118.600 -0.140 0.000 2.440 168 c HA -0.102 4.392 4.570 -0.127 0.000 0.278 168 c C 2.822 176.875 174.090 -0.062 0.000 1.295 168 c CA 0.114 56.360 56.329 -0.139 0.000 1.738 168 c CB -0.901 41.453 42.510 -0.259 0.000 1.987 168 c HN 0.601 nan 8.230 nan 0.000 0.492 169 c N 0.557 119.156 118.600 -0.001 0.000 2.422 169 c HA -0.071 4.423 4.570 -0.127 0.000 0.286 169 c C 2.079 176.240 174.090 0.117 0.000 1.412 169 c CA 0.881 57.287 56.329 0.129 0.000 1.786 169 c CB -1.313 41.407 42.510 0.350 0.000 1.835 169 c HN 0.625 nan 8.230 nan 0.000 0.533 170 Q N 0.325 120.174 119.800 0.082 0.000 2.201 170 Q HA 0.403 4.667 4.340 -0.127 0.000 0.217 170 Q C 0.412 176.418 176.000 0.010 0.000 0.860 170 Q CA 0.095 55.924 55.803 0.045 0.000 0.984 170 Q CB -0.054 28.716 28.738 0.053 0.000 1.095 170 Q HN 0.653 nan 8.270 nan 0.000 0.477 171 A N 0.018 122.837 122.820 -0.003 0.000 2.282 171 A HA 0.690 4.934 4.320 -0.127 0.000 0.319 171 A C 1.100 178.676 177.584 -0.013 0.000 1.121 171 A CA 0.181 52.208 52.037 -0.017 0.000 0.836 171 A CB 0.798 19.777 19.000 -0.035 0.000 1.146 171 A HN 0.237 nan 8.150 nan 0.000 0.494 172 A N 0.008 122.819 122.820 -0.015 0.000 1.930 172 A HA 0.028 4.272 4.320 -0.127 0.000 0.217 172 A C 0.783 178.358 177.584 -0.015 0.000 1.175 172 A CA 1.892 53.921 52.037 -0.013 0.000 0.627 172 A CB -0.147 18.845 19.000 -0.013 0.000 0.815 172 A HN 0.693 nan 8.150 nan 0.000 0.443 173 D N -0.950 119.438 120.400 -0.020 0.000 2.458 173 D HA 0.358 4.922 4.640 -0.127 0.000 0.258 173 D C 0.701 176.981 176.300 -0.033 0.000 1.134 173 D CA -0.251 53.735 54.000 -0.023 0.000 0.915 173 D CB 0.567 41.353 40.800 -0.023 0.000 1.028 173 D HN 0.204 nan 8.370 nan 0.000 0.508 174 K N 1.089 121.472 120.400 -0.028 0.000 2.074 174 K HA -0.189 4.055 4.320 -0.127 0.000 0.209 174 K C 1.842 178.404 176.600 -0.064 0.000 1.048 174 K CA 1.634 57.896 56.287 -0.042 0.000 0.926 174 K CB 0.138 32.629 32.500 -0.016 0.000 0.713 174 K HN 0.350 nan 8.250 nan 0.000 0.444 175 A N 1.264 124.058 122.820 -0.043 0.000 1.873 175 A HA -0.073 4.171 4.320 -0.127 0.000 0.215 175 A C 2.370 179.920 177.584 -0.057 0.000 1.186 175 A CA 1.769 53.779 52.037 -0.045 0.000 0.616 175 A CB -0.776 18.210 19.000 -0.023 0.000 0.823 175 A HN 0.330 nan 8.150 nan 0.000 0.442 176 A N -1.291 121.500 122.820 -0.048 0.000 2.015 176 A HA -0.148 4.096 4.320 -0.127 0.000 0.219 176 A C 2.327 179.873 177.584 -0.062 0.000 1.163 176 A CA 1.579 53.588 52.037 -0.046 0.000 0.646 176 A CB -1.254 17.725 19.000 -0.035 0.000 0.806 176 A HN 0.824 nan 8.150 nan 0.000 0.448 177 c N -1.583 116.970 118.600 -0.078 0.000 2.457 177 c HA 0.088 4.581 4.570 -0.127 0.000 0.278 177 c C 2.302 176.307 174.090 -0.142 0.000 1.309 177 c CA 1.368 57.636 56.329 -0.101 0.000 1.735 177 c CB -0.949 41.498 42.510 -0.105 0.000 1.992 177 c HN 0.505 nan 8.230 nan 0.000 0.493 178 L N -0.088 121.036 121.223 -0.166 0.000 2.316 178 L HA 0.285 4.549 4.340 -0.127 0.000 0.207 178 L C 2.213 178.977 176.870 -0.176 0.000 1.070 178 L CA 1.261 55.953 54.840 -0.246 0.000 0.820 178 L CB -0.896 40.964 42.059 -0.332 0.000 0.992 178 L HN 0.174 nan 8.230 nan 0.000 0.466 179 L N 1.130 122.288 121.223 -0.108 0.000 1.990 179 L HA -0.157 4.107 4.340 -0.127 0.000 0.213 179 L C -0.143 176.696 176.870 -0.052 0.000 1.072 179 L CA 2.453 57.256 54.840 -0.062 0.000 0.755 179 L CB -2.580 39.457 42.059 -0.037 0.000 0.889 179 L HN 0.229 nan 8.230 nan 0.000 0.432 180 P HA -0.183 nan 4.420 nan 0.000 0.215 180 P C 1.541 178.811 177.300 -0.051 0.000 1.153 180 P CA 1.528 64.603 63.100 -0.042 0.000 0.853 180 P CB -0.030 31.643 31.700 -0.044 0.000 0.788 181 K N -0.446 119.901 120.400 -0.088 0.000 2.057 181 K HA -0.010 4.234 4.320 -0.127 0.000 0.206 181 K C 2.345 178.897 176.600 -0.080 0.000 1.050 181 K CA 1.001 57.225 56.287 -0.106 0.000 0.935 181 K CB -0.516 31.882 32.500 -0.169 0.000 0.715 181 K HN 0.130 nan 8.250 nan 0.000 0.439 182 L N 0.916 122.091 121.223 -0.080 0.000 2.109 182 L HA -0.169 4.095 4.340 -0.127 0.000 0.207 182 L C 1.663 178.566 176.870 0.055 0.000 1.086 182 L CA 0.868 55.712 54.840 0.007 0.000 0.760 182 L CB -0.356 41.709 42.059 0.009 0.000 0.910 182 L HN 0.138 nan 8.230 nan 0.000 0.437 183 D N -0.057 120.359 120.400 0.027 0.000 2.178 183 D HA -0.211 4.353 4.640 -0.127 0.000 0.201 183 D C 1.989 178.322 176.300 0.055 0.000 0.980 183 D CA 1.032 55.058 54.000 0.043 0.000 0.842 183 D CB 0.106 40.920 40.800 0.024 0.000 0.948 183 D HN 0.372 nan 8.370 nan 0.000 0.472 184 E N 0.202 120.423 120.200 0.035 0.000 2.015 184 E HA -0.109 4.165 4.350 -0.127 0.000 0.191 184 E C 2.242 178.895 176.600 0.089 0.000 0.991 184 E CA 0.540 56.964 56.400 0.040 0.000 0.802 184 E CB -0.112 29.586 29.700 -0.005 0.000 0.759 184 E HN 0.151 nan 8.360 nan 0.000 0.447 185 L N 0.887 122.166 121.223 0.093 0.000 2.127 185 L HA -0.202 4.062 4.340 -0.127 0.000 0.211 185 L C 2.888 179.958 176.870 0.334 0.000 1.089 185 L CA 1.075 56.046 54.840 0.219 0.000 0.757 185 L CB -0.485 41.690 42.059 0.192 0.000 0.899 185 L HN 0.185 nan 8.230 nan 0.000 0.434 186 R N 0.364 120.995 120.500 0.218 0.000 2.070 186 R HA -0.190 4.074 4.340 -0.127 0.000 0.233 186 R C 1.734 178.128 176.300 0.156 0.000 1.137 186 R CA 2.177 58.381 56.100 0.174 0.000 0.945 186 R CB -0.368 30.010 30.300 0.130 0.000 0.845 186 R HN 0.348 nan 8.270 nan 0.000 0.430 187 D N 0.344 120.830 120.400 0.143 0.000 2.117 187 D HA -0.135 4.429 4.640 -0.127 0.000 0.198 187 D C 1.828 178.227 176.300 0.164 0.000 0.982 187 D CA 1.013 55.088 54.000 0.125 0.000 0.828 187 D CB -0.147 40.710 40.800 0.096 0.000 0.967 187 D HN 0.413 nan 8.370 nan 0.000 0.464 188 E N 0.177 120.519 120.200 0.237 0.000 2.077 188 E HA -0.112 4.162 4.350 -0.127 0.000 0.193 188 E C 2.103 178.978 176.600 0.457 0.000 0.989 188 E CA 0.944 57.553 56.400 0.348 0.000 0.800 188 E CB -0.121 29.785 29.700 0.343 0.000 0.746 188 E HN 0.238 nan 8.360 nan 0.000 0.452 189 G N 1.172 110.235 108.800 0.438 0.000 2.459 189 G HA2 -0.297 3.587 3.960 -0.127 0.000 0.217 189 G HA3 -0.297 3.587 3.960 -0.127 0.000 0.217 189 G C 1.488 176.324 174.900 -0.105 0.000 1.183 189 G CA 0.900 45.984 45.100 -0.027 0.000 0.776 189 G HN 0.146 nan 8.290 nan 0.000 0.552 190 K N 0.424 120.807 120.400 -0.028 0.000 2.032 190 K HA -0.023 4.221 4.320 -0.127 0.000 0.209 190 K C 2.987 179.578 176.600 -0.015 0.000 1.048 190 K CA 1.114 57.383 56.287 -0.029 0.000 0.927 190 K CB -0.273 32.264 32.500 0.062 0.000 0.712 190 K HN 0.269 nan 8.250 nan 0.000 0.441 191 A N 0.686 123.535 122.820 0.048 0.000 1.883 191 A HA -0.232 4.012 4.320 -0.127 0.000 0.217 191 A C 2.194 179.783 177.584 0.009 0.000 1.186 191 A CA 2.235 54.317 52.037 0.075 0.000 0.624 191 A CB -0.967 18.106 19.000 0.122 0.000 0.822 191 A HN 0.328 nan 8.150 nan 0.000 0.444 192 S N -0.625 115.066 115.700 -0.015 0.000 2.365 192 S HA -0.197 4.197 4.470 -0.127 0.000 0.225 192 S C 2.364 176.729 174.600 -0.392 0.000 1.039 192 S CA 2.191 60.315 58.200 -0.128 0.000 1.033 192 S CB -0.546 62.585 63.200 -0.115 0.000 0.887 192 S HN 0.711 nan 8.310 nan 0.000 0.447 193 S N 0.845 116.218 115.700 -0.545 0.000 2.348 193 S HA -0.055 4.339 4.470 -0.127 0.000 0.221 193 S C 2.151 176.627 174.600 -0.208 0.000 1.033 193 S CA 1.650 59.550 58.200 -0.500 0.000 1.010 193 S CB -0.988 62.017 63.200 -0.324 0.000 0.891 193 S HN 0.728 nan 8.310 nan 0.000 0.442 194 A N 1.307 124.057 122.820 -0.118 0.000 1.908 194 A HA -0.144 4.100 4.320 -0.127 0.000 0.218 194 A C 2.198 179.710 177.584 -0.120 0.000 1.181 194 A CA 1.882 53.866 52.037 -0.089 0.000 0.627 194 A CB -0.745 18.223 19.000 -0.053 0.000 0.818 194 A HN 0.640 nan 8.150 nan 0.000 0.445 195 K N -1.286 119.051 120.400 -0.105 0.000 2.009 195 K HA -0.244 4.000 4.320 -0.127 0.000 0.210 195 K C 2.422 178.908 176.600 -0.191 0.000 1.049 195 K CA 1.859 58.073 56.287 -0.122 0.000 0.929 195 K CB -0.171 32.293 32.500 -0.060 0.000 0.714 195 K HN 0.470 nan 8.250 nan 0.000 0.440 196 Q N 0.893 120.579 119.800 -0.191 0.000 2.170 196 Q HA -0.171 4.092 4.340 -0.127 0.000 0.203 196 Q C 1.834 177.733 176.000 -0.169 0.000 0.976 196 Q CA 1.516 57.198 55.803 -0.201 0.000 0.858 196 Q CB -0.092 28.556 28.738 -0.150 0.000 0.907 196 Q HN 0.038 nan 8.270 nan 0.000 0.433 197 R N -0.588 119.814 120.500 -0.163 0.000 2.148 197 R HA -0.054 4.210 4.340 -0.127 0.000 0.227 197 R C 1.808 177.974 176.300 -0.225 0.000 1.103 197 R CA 0.887 56.857 56.100 -0.217 0.000 0.983 197 R CB -0.612 29.555 30.300 -0.222 0.000 0.874 197 R HN 0.403 nan 8.270 nan 0.000 0.451 198 L N 0.519 121.614 121.223 -0.213 0.000 2.109 198 L HA -0.036 4.228 4.340 -0.127 0.000 0.207 198 L C 1.589 178.314 176.870 -0.241 0.000 1.086 198 L CA 1.795 56.503 54.840 -0.219 0.000 0.760 198 L CB -0.247 41.661 42.059 -0.251 0.000 0.910 198 L HN 0.064 nan 8.230 nan 0.000 0.437 199 K N -1.385 118.835 120.400 -0.299 0.000 2.057 199 K HA -0.159 4.085 4.320 -0.127 0.000 0.207 199 K C 2.093 178.605 176.600 -0.145 0.000 1.049 199 K CA 1.664 57.794 56.287 -0.262 0.000 0.931 199 K CB -0.482 31.754 32.500 -0.439 0.000 0.714 199 K HN 0.415 nan 8.250 nan 0.000 0.440 200 c N 0.406 118.934 118.600 -0.121 0.000 2.450 200 c HA 0.044 4.538 4.570 -0.127 0.000 0.279 200 c C 2.854 176.935 174.090 -0.016 0.000 1.335 200 c CA 0.529 56.842 56.329 -0.027 0.000 1.749 200 c CB -0.698 41.871 42.510 0.099 0.000 1.963 200 c HN 0.514 nan 8.230 nan 0.000 0.501 201 A N 0.826 123.607 122.820 -0.064 0.000 1.969 201 A HA -0.096 4.148 4.320 -0.127 0.000 0.218 201 A C 2.206 179.874 177.584 0.139 0.000 1.169 201 A CA 2.090 54.121 52.037 -0.010 0.000 0.635 201 A CB -0.530 18.448 19.000 -0.037 0.000 0.810 201 A HN 0.575 nan 8.150 nan 0.000 0.445 202 S N 0.136 115.922 115.700 0.144 0.000 2.345 202 S HA -0.068 4.326 4.470 -0.127 0.000 0.220 202 S C 1.848 176.600 174.600 0.254 0.000 1.031 202 S CA 1.338 59.701 58.200 0.273 0.000 0.996 202 S CB -0.534 62.745 63.200 0.131 0.000 0.882 202 S HN 0.473 nan 8.310 nan 0.000 0.445 203 L N 1.287 122.588 121.223 0.130 0.000 2.012 203 L HA -0.197 4.066 4.340 -0.127 0.000 0.210 203 L C 2.865 179.778 176.870 0.070 0.000 1.073 203 L CA 1.461 56.342 54.840 0.068 0.000 0.748 203 L CB -0.432 41.590 42.059 -0.062 0.000 0.891 203 L HN 0.357 nan 8.230 nan 0.000 0.431 204 Q N -0.929 118.906 119.800 0.059 0.000 2.137 204 Q HA -0.126 4.138 4.340 -0.127 0.000 0.198 204 Q C 2.098 178.080 176.000 -0.030 0.000 0.960 204 Q CA 0.899 56.725 55.803 0.038 0.000 0.847 204 Q CB 0.239 29.014 28.738 0.062 0.000 0.915 204 Q HN 0.293 nan 8.270 nan 0.000 0.448 205 K N -0.606 119.741 120.400 -0.089 0.000 2.202 205 K HA 0.054 4.298 4.320 -0.127 0.000 0.201 205 K C 1.452 177.735 176.600 -0.528 0.000 1.051 205 K CA 0.904 56.962 56.287 -0.381 0.000 0.977 205 K CB 0.210 32.320 32.500 -0.650 0.000 0.792 205 K HN 0.152 nan 8.250 nan 0.000 0.469 206 F N 0.122 120.088 119.950 0.028 0.000 2.712 206 F HA 0.311 4.756 4.527 -0.137 0.000 0.297 206 F C 1.006 176.837 175.800 0.051 0.000 1.114 206 F CA 0.301 58.324 58.000 0.037 0.000 1.305 206 F CB 0.623 39.646 39.000 0.038 0.000 1.086 206 F HN 0.122 nan 8.300 nan 0.000 0.599 207 G N 1.200 110.119 108.800 0.200 0.000 2.619 207 G HA2 -0.175 3.709 3.960 -0.127 0.000 0.686 207 G HA3 -0.175 3.709 3.960 -0.127 0.000 0.686 207 G C 0.534 175.534 174.900 0.168 0.000 1.256 207 G CA -0.195 44.988 45.100 0.139 0.000 0.826 207 G HN 0.381 nan 8.290 nan 0.000 0.619 208 E N 0.336 120.614 120.200 0.131 0.000 2.160 208 E HA -0.214 4.060 4.350 -0.127 0.000 0.195 208 E C 2.190 178.918 176.600 0.214 0.000 0.991 208 E CA 1.319 57.816 56.400 0.161 0.000 0.810 208 E CB -0.036 29.726 29.700 0.104 0.000 0.742 208 E HN 0.649 nan 8.360 nan 0.000 0.466 209 R N 0.851 121.451 120.500 0.168 0.000 2.096 209 R HA -0.204 4.060 4.340 -0.127 0.000 0.240 209 R C 2.405 178.811 176.300 0.177 0.000 1.139 209 R CA 1.845 58.041 56.100 0.160 0.000 0.952 209 R CB -0.521 29.857 30.300 0.130 0.000 0.854 209 R HN 0.316 nan 8.270 nan 0.000 0.436 210 A N -0.000 122.931 122.820 0.186 0.000 1.940 210 A HA -0.200 4.044 4.320 -0.127 0.000 0.219 210 A C 2.028 179.728 177.584 0.194 0.000 1.176 210 A CA 1.421 53.556 52.037 0.163 0.000 0.631 210 A CB -0.764 18.335 19.000 0.165 0.000 0.814 210 A HN 0.557 nan 8.150 nan 0.000 0.446 211 F N 0.420 120.437 119.950 0.113 0.000 2.163 211 F HA -0.061 4.379 4.527 -0.146 0.000 0.297 211 F C 2.210 178.133 175.800 0.205 0.000 1.094 211 F CA 1.816 59.896 58.000 0.132 0.000 1.290 211 F CB -0.081 38.967 39.000 0.079 0.000 1.017 211 F HN 0.060 nan 8.300 nan 0.000 0.483 212 K N 0.230 120.826 120.400 0.326 0.000 2.074 212 K HA -0.220 4.024 4.320 -0.127 0.000 0.209 212 K C 2.232 178.895 176.600 0.104 0.000 1.048 212 K CA 1.375 57.792 56.287 0.217 0.000 0.926 212 K CB -0.616 32.006 32.500 0.204 0.000 0.713 212 K HN 0.375 nan 8.250 nan 0.000 0.444 213 A N 0.435 123.320 122.820 0.108 0.000 1.969 213 A HA -0.184 4.060 4.320 -0.127 0.000 0.218 213 A C 1.876 179.470 177.584 0.017 0.000 1.169 213 A CA 1.145 53.227 52.037 0.075 0.000 0.635 213 A CB -0.764 18.287 19.000 0.085 0.000 0.810 213 A HN 0.573 nan 8.150 nan 0.000 0.445 214 W N 0.665 121.849 121.300 -0.193 0.000 2.332 214 W HA -0.188 4.420 4.660 -0.086 0.000 0.321 214 W C 2.473 178.824 176.519 -0.279 0.000 1.219 214 W CA 2.666 59.843 57.345 -0.280 0.000 1.277 214 W CB -0.339 28.860 29.460 -0.434 0.000 1.161 214 W HN 0.310 nan 8.180 nan 0.000 0.476 215 A N -0.435 122.237 122.820 -0.246 0.000 1.969 215 A HA -0.119 4.125 4.320 -0.127 0.000 0.218 215 A C 1.992 179.436 177.584 -0.232 0.000 1.169 215 A CA 1.868 53.712 52.037 -0.321 0.000 0.635 215 A CB -1.155 17.828 19.000 -0.027 0.000 0.810 215 A HN 0.220 nan 8.150 nan 0.000 0.445 216 V N -0.145 119.702 119.914 -0.111 0.000 2.287 216 V HA -0.300 3.744 4.120 -0.127 0.000 0.248 216 V C 3.051 179.107 176.094 -0.063 0.000 1.053 216 V CA 2.125 64.413 62.300 -0.020 0.000 1.027 216 V CB -1.065 30.804 31.823 0.077 0.000 0.646 216 V HN 0.619 nan 8.190 nan 0.000 0.447 217 A N -0.373 122.342 122.820 -0.175 0.000 1.930 217 A HA -0.201 4.043 4.320 -0.127 0.000 0.217 217 A C 2.279 179.665 177.584 -0.330 0.000 1.175 217 A CA 1.931 53.837 52.037 -0.218 0.000 0.627 217 A CB -0.439 18.412 19.000 -0.248 0.000 0.815 217 A HN 0.448 nan 8.150 nan 0.000 0.443 218 R N -0.059 120.109 120.500 -0.554 0.000 2.062 218 R HA 0.140 4.404 4.340 -0.127 0.000 0.226 218 R C 1.858 177.902 176.300 -0.426 0.000 1.125 218 R CA 1.325 57.058 56.100 -0.611 0.000 0.966 218 R CB -0.679 28.977 30.300 -1.075 0.000 0.861 218 R HN 0.488 nan 8.270 nan 0.000 0.433 219 L N -0.155 120.870 121.223 -0.330 0.000 2.156 219 L HA -0.041 4.223 4.340 -0.127 0.000 0.208 219 L C 2.167 178.954 176.870 -0.138 0.000 1.095 219 L CA 1.100 55.785 54.840 -0.259 0.000 0.770 219 L CB -0.352 41.713 42.059 0.009 0.000 0.914 219 L HN 0.164 nan 8.230 nan 0.000 0.439 220 S N -0.325 115.355 115.700 -0.033 0.000 2.356 220 S HA -0.228 4.165 4.470 -0.127 0.000 0.223 220 S C 1.948 176.514 174.600 -0.057 0.000 1.032 220 S CA 1.246 59.492 58.200 0.076 0.000 1.005 220 S CB -0.203 63.084 63.200 0.145 0.000 0.867 220 S HN 0.443 nan 8.310 nan 0.000 0.449 221 Q N 0.249 119.959 119.800 -0.149 0.000 2.135 221 Q HA -0.101 4.163 4.340 -0.127 0.000 0.204 221 Q C 2.396 178.272 176.000 -0.208 0.000 0.981 221 Q CA 1.225 56.922 55.803 -0.176 0.000 0.856 221 Q CB -0.089 28.531 28.738 -0.196 0.000 0.902 221 Q HN 0.375 nan 8.270 nan 0.000 0.425 222 R N -0.630 119.667 120.500 -0.338 0.000 2.112 222 R HA 0.006 4.270 4.340 -0.127 0.000 0.216 222 R C -0.094 175.965 176.300 -0.402 0.000 1.080 222 R CA 0.488 56.289 56.100 -0.498 0.000 0.996 222 R CB 0.512 30.285 30.300 -0.879 0.000 0.902 222 R HN 0.068 nan 8.270 nan 0.000 0.449 223 F N 1.185 121.130 119.950 -0.008 0.000 2.532 223 F HA 0.384 4.836 4.527 -0.125 0.000 0.313 223 F C -1.845 173.980 175.800 0.042 0.000 1.301 223 F CA -3.039 54.971 58.000 0.016 0.000 1.154 223 F CB 1.478 40.496 39.000 0.029 0.000 1.335 223 F HN -0.029 nan 8.300 nan 0.000 0.542 224 P HA -0.103 nan 4.420 nan 0.000 0.233 224 P C 0.952 178.310 177.300 0.097 0.000 1.167 224 P CA 1.071 64.214 63.100 0.072 0.000 0.770 224 P CB 0.359 32.038 31.700 -0.034 0.000 0.837 225 K N -0.368 120.099 120.400 0.111 0.000 2.365 225 K HA 0.192 4.436 4.320 -0.127 0.000 0.197 225 K C 1.218 177.892 176.600 0.122 0.000 1.042 225 K CA 0.011 56.352 56.287 0.090 0.000 0.987 225 K CB 0.019 32.554 32.500 0.057 0.000 0.779 225 K HN 0.073 nan 8.250 nan 0.000 0.484 226 A N 2.253 125.171 122.820 0.162 0.000 2.386 226 A HA 0.055 4.299 4.320 -0.127 0.000 0.248 226 A C 0.307 178.005 177.584 0.191 0.000 1.082 226 A CA -0.244 51.875 52.037 0.138 0.000 0.789 226 A CB 0.341 19.415 19.000 0.123 0.000 1.025 226 A HN 0.064 nan 8.150 nan 0.000 0.490 227 E N 0.225 120.490 120.200 0.107 0.000 2.391 227 E HA 0.089 4.363 4.350 -0.127 0.000 0.255 227 E C 0.552 177.102 176.600 -0.085 0.000 1.187 227 E CA -0.219 56.232 56.400 0.085 0.000 0.941 227 E CB 0.256 29.989 29.700 0.055 0.000 1.010 227 E HN 0.636 nan 8.360 nan 0.000 0.458 228 F N 1.809 121.490 119.950 -0.449 0.000 2.075 228 F HA -0.175 4.276 4.527 -0.128 0.000 0.297 228 F C 2.120 177.741 175.800 -0.298 0.000 1.113 228 F CA 1.939 59.509 58.000 -0.716 0.000 1.218 228 F CB -0.692 37.924 39.000 -0.640 0.000 0.984 228 F HN 0.568 nan 8.300 nan 0.000 0.472 229 A N -0.119 122.595 122.820 -0.178 0.000 1.915 229 A HA -0.355 3.889 4.320 -0.127 0.000 0.220 229 A C 2.107 179.567 177.584 -0.207 0.000 1.198 229 A CA 2.355 54.278 52.037 -0.190 0.000 0.647 229 A CB -1.177 17.798 19.000 -0.043 0.000 0.825 229 A HN 0.513 nan 8.150 nan 0.000 0.456 230 E N -0.402 119.720 120.200 -0.130 0.000 2.017 230 E HA -0.105 4.169 4.350 -0.127 0.000 0.193 230 E C 1.925 178.470 176.600 -0.092 0.000 0.997 230 E CA 1.497 57.858 56.400 -0.064 0.000 0.804 230 E CB -0.546 29.146 29.700 -0.012 0.000 0.757 230 E HN 0.233 nan 8.360 nan 0.000 0.448 231 V N 0.527 120.363 119.914 -0.130 0.000 2.317 231 V HA -0.327 3.717 4.120 -0.127 0.000 0.251 231 V C 2.348 178.327 176.094 -0.192 0.000 1.065 231 V CA 2.164 64.408 62.300 -0.094 0.000 1.049 231 V CB -0.718 31.059 31.823 -0.076 0.000 0.651 231 V HN 0.248 nan 8.190 nan 0.000 0.450 232 S N -0.827 114.620 115.700 -0.422 0.000 2.368 232 S HA -0.192 4.202 4.470 -0.127 0.000 0.224 232 S C 2.057 176.541 174.600 -0.193 0.000 1.029 232 S CA 1.309 59.271 58.200 -0.398 0.000 0.988 232 S CB -0.333 62.493 63.200 -0.623 0.000 0.838 232 S HN 0.517 nan 8.310 nan 0.000 0.462 233 K N 1.504 121.803 120.400 -0.169 0.000 2.063 233 K HA -0.085 4.159 4.320 -0.127 0.000 0.208 233 K C 1.963 178.508 176.600 -0.092 0.000 1.048 233 K CA 1.171 57.380 56.287 -0.131 0.000 0.928 233 K CB -0.468 31.945 32.500 -0.146 0.000 0.713 233 K HN 0.360 nan 8.250 nan 0.000 0.442 234 L N 0.392 121.593 121.223 -0.038 0.000 2.027 234 L HA -0.158 4.106 4.340 -0.127 0.000 0.206 234 L C 2.570 179.488 176.870 0.079 0.000 1.074 234 L CA 0.771 55.636 54.840 0.042 0.000 0.745 234 L CB -0.564 41.565 42.059 0.117 0.000 0.898 234 L HN -0.068 nan 8.230 nan 0.000 0.433 235 V N -0.308 119.642 119.914 0.061 0.000 2.324 235 V HA -0.321 3.723 4.120 -0.127 0.000 0.250 235 V C 2.608 178.783 176.094 0.136 0.000 1.060 235 V CA 2.388 64.753 62.300 0.109 0.000 1.042 235 V CB -0.708 31.148 31.823 0.055 0.000 0.650 235 V HN 0.481 nan 8.190 nan 0.000 0.450 236 T N -0.633 113.957 114.554 0.061 0.000 2.708 236 T HA -0.177 4.097 4.350 -0.127 0.000 0.266 236 T C 1.679 176.416 174.700 0.063 0.000 1.037 236 T CA 1.674 63.807 62.100 0.056 0.000 1.146 236 T CB -0.336 68.531 68.868 -0.000 0.000 0.865 236 T HN 0.513 nan 8.240 nan 0.000 0.435 237 D N 0.808 121.230 120.400 0.037 0.000 2.117 237 D HA -0.034 4.530 4.640 -0.127 0.000 0.198 237 D C 2.052 178.409 176.300 0.094 0.000 0.982 237 D CA 0.674 54.694 54.000 0.034 0.000 0.828 237 D CB -0.398 40.396 40.800 -0.010 0.000 0.967 237 D HN 0.200 nan 8.370 nan 0.000 0.464 238 L N 0.906 122.229 121.223 0.166 0.000 2.056 238 L HA -0.110 4.154 4.340 -0.127 0.000 0.207 238 L C 2.237 179.316 176.870 0.348 0.000 1.078 238 L CA 1.593 56.593 54.840 0.267 0.000 0.749 238 L CB -0.813 41.464 42.059 0.362 0.000 0.901 238 L HN -0.066 nan 8.230 nan 0.000 0.433 239 T N -0.409 114.371 114.554 0.375 0.000 2.684 239 T HA -0.272 4.002 4.350 -0.127 0.000 0.267 239 T C 1.889 176.610 174.700 0.034 0.000 1.036 239 T CA 1.895 64.149 62.100 0.256 0.000 1.148 239 T CB -0.206 68.841 68.868 0.299 0.000 0.863 239 T HN 0.337 nan 8.240 nan 0.000 0.436 240 K N 0.655 121.089 120.400 0.057 0.000 2.002 240 K HA -0.103 4.141 4.320 -0.127 0.000 0.209 240 K C 2.264 178.866 176.600 0.003 0.000 1.048 240 K CA 1.216 57.514 56.287 0.018 0.000 0.930 240 K CB -0.472 32.042 32.500 0.023 0.000 0.714 240 K HN 0.110 nan 8.250 nan 0.000 0.438 241 V N 1.563 121.479 119.914 0.004 0.000 2.233 241 V HA -0.335 3.708 4.120 -0.127 0.000 0.252 241 V C 2.432 178.481 176.094 -0.075 0.000 1.063 241 V CA 2.214 64.493 62.300 -0.036 0.000 1.032 241 V CB -0.727 31.052 31.823 -0.074 0.000 0.645 241 V HN 0.480 nan 8.190 nan 0.000 0.446 242 H N -0.359 118.684 119.070 -0.044 0.000 2.423 242 H HA -0.082 4.404 4.556 -0.116 0.000 0.297 242 H C 2.462 177.685 175.328 -0.176 0.000 1.075 242 H CA 1.835 57.778 56.048 -0.176 0.000 1.342 242 H CB -0.487 29.029 29.762 -0.411 0.000 1.395 242 H HN 0.454 nan 8.280 nan 0.000 0.530 243 T N 0.898 115.405 114.554 -0.077 0.000 2.720 243 T HA -0.135 4.139 4.350 -0.127 0.000 0.268 243 T C 1.871 176.605 174.700 0.056 0.000 1.037 243 T CA 1.419 63.492 62.100 -0.045 0.000 1.144 243 T CB -0.027 68.805 68.868 -0.060 0.000 0.864 243 T HN 0.518 nan 8.240 nan 0.000 0.444 244 E N -0.072 120.165 120.200 0.063 0.000 2.072 244 E HA -0.071 4.203 4.350 -0.127 0.000 0.190 244 E C 2.525 179.220 176.600 0.158 0.000 0.982 244 E CA 0.843 57.313 56.400 0.117 0.000 0.803 244 E CB -0.259 29.488 29.700 0.079 0.000 0.755 244 E HN 0.401 nan 8.360 nan 0.000 0.453 245 c N 0.424 119.109 118.600 0.142 0.000 2.432 245 c HA -0.153 4.341 4.570 -0.127 0.000 0.277 245 c C 2.851 177.047 174.090 0.175 0.000 1.249 245 c CA 0.498 56.934 56.329 0.178 0.000 1.725 245 c CB -0.681 41.990 42.510 0.269 0.000 2.028 245 c HN 0.598 nan 8.230 nan 0.000 0.477 246 c N -1.421 117.280 118.600 0.168 0.000 2.437 246 c HA -0.078 4.416 4.570 -0.127 0.000 0.283 246 c C 2.073 176.288 174.090 0.209 0.000 1.424 246 c CA 0.629 57.068 56.329 0.183 0.000 1.782 246 c CB -1.828 40.766 42.510 0.140 0.000 1.833 246 c HN 0.698 nan 8.230 nan 0.000 0.532 247 H N -0.370 118.772 119.070 0.120 0.000 2.487 247 H HA 0.225 4.704 4.556 -0.129 0.000 0.290 247 H C 1.573 177.027 175.328 0.210 0.000 1.081 247 H CA 0.662 56.798 56.048 0.146 0.000 1.116 247 H CB -0.341 29.500 29.762 0.131 0.000 1.560 247 H HN 0.468 nan 8.280 nan 0.000 0.548 248 G N 1.711 110.609 108.800 0.164 0.000 2.166 248 G HA2 -0.243 3.641 3.960 -0.127 0.000 0.260 248 G HA3 -0.243 3.641 3.960 -0.127 0.000 0.260 248 G C -0.108 174.929 174.900 0.228 0.000 0.986 248 G CA 0.459 45.641 45.100 0.135 0.000 0.683 248 G HN 0.539 nan 8.290 nan 0.000 0.527 249 D N 0.790 121.341 120.400 0.253 0.000 2.631 249 D HA 0.339 4.903 4.640 -0.127 0.000 0.227 249 D C 1.876 178.234 176.300 0.097 0.000 1.146 249 D CA -0.298 53.808 54.000 0.177 0.000 1.009 249 D CB 0.274 41.178 40.800 0.172 0.000 1.057 249 D HN 0.338 nan 8.370 nan 0.000 0.509 250 L N -0.089 121.169 121.223 0.058 0.000 2.209 250 L HA -0.018 4.246 4.340 -0.127 0.000 0.207 250 L C 2.373 179.240 176.870 -0.004 0.000 1.094 250 L CA 0.410 55.258 54.840 0.014 0.000 0.790 250 L CB -0.073 41.952 42.059 -0.057 0.000 0.932 250 L HN 0.237 nan 8.230 nan 0.000 0.447 251 L N 0.242 121.466 121.223 0.001 0.000 2.017 251 L HA -0.181 4.083 4.340 -0.127 0.000 0.208 251 L C 2.836 179.720 176.870 0.024 0.000 1.073 251 L CA 1.357 56.200 54.840 0.005 0.000 0.745 251 L CB -0.692 41.401 42.059 0.057 0.000 0.894 251 L HN 0.411 nan 8.230 nan 0.000 0.432 252 E N -0.195 120.026 120.200 0.035 0.000 2.204 252 E HA -0.241 4.033 4.350 -0.127 0.000 0.194 252 E C 2.328 178.950 176.600 0.037 0.000 0.989 252 E CA 1.441 57.865 56.400 0.041 0.000 0.824 252 E CB -0.966 28.760 29.700 0.043 0.000 0.756 252 E HN 0.537 nan 8.360 nan 0.000 0.477 253 c N 1.699 120.324 118.600 0.042 0.000 2.436 253 c HA 0.077 4.571 4.570 -0.127 0.000 0.277 253 c C 3.112 177.218 174.090 0.026 0.000 1.241 253 c CA 1.609 57.968 56.329 0.050 0.000 1.721 253 c CB -1.067 41.495 42.510 0.087 0.000 2.043 253 c HN 0.558 nan 8.230 nan 0.000 0.472 254 A N -0.223 122.599 122.820 0.003 0.000 1.940 254 A HA -0.206 4.038 4.320 -0.127 0.000 0.219 254 A C 1.969 179.545 177.584 -0.014 0.000 1.176 254 A CA 2.391 54.413 52.037 -0.025 0.000 0.631 254 A CB -0.859 18.118 19.000 -0.039 0.000 0.814 254 A HN 0.706 nan 8.150 nan 0.000 0.446 255 D N -0.235 120.163 120.400 -0.003 0.000 2.117 255 D HA -0.109 4.455 4.640 -0.127 0.000 0.198 255 D C 1.273 177.580 176.300 0.012 0.000 0.982 255 D CA 1.231 55.228 54.000 -0.005 0.000 0.828 255 D CB -0.187 40.605 40.800 -0.013 0.000 0.967 255 D HN 0.359 nan 8.370 nan 0.000 0.464 256 D N -0.251 120.162 120.400 0.023 0.000 2.149 256 D HA -0.098 4.466 4.640 -0.127 0.000 0.201 256 D C 2.063 178.383 176.300 0.033 0.000 0.972 256 D CA 0.377 54.395 54.000 0.030 0.000 0.835 256 D CB -0.165 40.654 40.800 0.031 0.000 0.966 256 D HN 0.216 nan 8.370 nan 0.000 0.476 257 R N 0.823 121.341 120.500 0.029 0.000 2.091 257 R HA -0.140 4.124 4.340 -0.127 0.000 0.238 257 R C 2.105 178.426 176.300 0.035 0.000 1.136 257 R CA 1.571 57.694 56.100 0.037 0.000 0.959 257 R CB -0.125 30.183 30.300 0.013 0.000 0.856 257 R HN 0.089 nan 8.270 nan 0.000 0.437 258 A N 1.050 123.880 122.820 0.016 0.000 1.902 258 A HA -0.180 4.064 4.320 -0.127 0.000 0.217 258 A C 1.634 179.239 177.584 0.034 0.000 1.181 258 A CA 1.850 53.896 52.037 0.015 0.000 0.623 258 A CB -0.493 18.508 19.000 0.000 0.000 0.818 258 A HN 0.388 nan 8.150 nan 0.000 0.443 259 D N -0.477 119.947 120.400 0.040 0.000 2.149 259 D HA -0.135 4.429 4.640 -0.127 0.000 0.198 259 D C 1.816 178.171 176.300 0.091 0.000 0.990 259 D CA 1.369 55.404 54.000 0.058 0.000 0.839 259 D CB -0.317 40.512 40.800 0.048 0.000 0.948 259 D HN 0.398 nan 8.370 nan 0.000 0.460 260 L N 0.859 122.134 121.223 0.086 0.000 2.023 260 L HA 0.069 4.333 4.340 -0.127 0.000 0.205 260 L C 2.153 179.106 176.870 0.137 0.000 1.073 260 L CA 1.716 56.628 54.840 0.120 0.000 0.745 260 L CB -0.978 41.144 42.059 0.104 0.000 0.900 260 L HN -0.035 nan 8.230 nan 0.000 0.435 261 A N -0.127 122.749 122.820 0.094 0.000 1.903 261 A HA -0.348 3.896 4.320 -0.127 0.000 0.219 261 A C 2.485 180.098 177.584 0.048 0.000 1.191 261 A CA 2.458 54.534 52.037 0.065 0.000 0.638 261 A CB -0.810 18.215 19.000 0.041 0.000 0.823 261 A HN 0.556 nan 8.150 nan 0.000 0.451 262 K N -1.954 118.480 120.400 0.057 0.000 2.026 262 K HA -0.218 4.026 4.320 -0.127 0.000 0.208 262 K C 1.993 178.616 176.600 0.040 0.000 1.048 262 K CA 1.831 58.142 56.287 0.040 0.000 0.929 262 K CB -0.429 32.100 32.500 0.048 0.000 0.713 262 K HN 0.534 nan 8.250 nan 0.000 0.439 263 Y N 1.416 121.709 120.300 -0.012 0.000 2.128 263 Y HA -0.236 4.237 4.550 -0.128 0.000 0.284 263 Y C 1.832 177.708 175.900 -0.041 0.000 1.154 263 Y CA 1.814 59.902 58.100 -0.021 0.000 1.149 263 Y CB -0.222 38.229 38.460 -0.015 0.000 0.976 263 Y HN 0.049 nan 8.280 nan 0.000 0.505 264 I N -0.870 119.680 120.570 -0.032 0.000 2.163 264 I HA -0.410 3.684 4.170 -0.127 0.000 0.243 264 I C 2.353 178.333 176.117 -0.228 0.000 1.085 264 I CA 1.553 62.767 61.300 -0.144 0.000 1.347 264 I CB -0.560 37.420 38.000 -0.033 0.000 1.044 264 I HN 0.330 nan 8.210 nan 0.000 0.408 265 c N 0.275 118.789 118.600 -0.142 0.000 2.456 265 c HA -0.068 4.426 4.570 -0.127 0.000 0.279 265 c C 2.043 176.040 174.090 -0.155 0.000 1.427 265 c CA 0.436 56.691 56.329 -0.123 0.000 1.778 265 c CB -1.325 41.146 42.510 -0.066 0.000 1.842 265 c HN 0.454 nan 8.230 nan 0.000 0.531 266 E N 0.482 120.549 120.200 -0.222 0.000 2.444 266 E HA 0.061 4.335 4.350 -0.127 0.000 0.191 266 E C -0.252 176.159 176.600 -0.315 0.000 1.041 266 E CA 0.117 56.386 56.400 -0.219 0.000 0.883 266 E CB -0.032 29.566 29.700 -0.169 0.000 1.024 266 E HN 0.707 nan 8.360 nan 0.000 0.470 267 N N 0.149 118.616 118.700 -0.388 0.000 2.577 267 N HA 0.034 4.698 4.740 -0.127 0.000 0.285 267 N C 0.421 175.765 175.510 -0.277 0.000 1.658 267 N CA -0.044 52.776 53.050 -0.382 0.000 0.865 267 N CB 0.718 38.804 38.487 -0.669 0.000 1.419 267 N HN -0.064 nan 8.380 nan 0.000 0.495 268 Q N 0.461 120.137 119.800 -0.207 0.000 2.016 268 Q HA -0.103 4.160 4.340 -0.127 0.000 0.200 268 Q C 0.590 176.512 176.000 -0.131 0.000 0.978 268 Q CA 1.430 57.132 55.803 -0.168 0.000 0.833 268 Q CB 0.206 28.873 28.738 -0.119 0.000 0.895 268 Q HN 0.323 nan 8.270 nan 0.000 0.427 269 D N -0.360 119.980 120.400 -0.099 0.000 2.311 269 D HA -0.098 4.466 4.640 -0.127 0.000 0.212 269 D C 1.406 177.668 176.300 -0.063 0.000 0.972 269 D CA 0.901 54.861 54.000 -0.067 0.000 0.887 269 D CB -0.014 40.755 40.800 -0.052 0.000 0.915 269 D HN 0.099 nan 8.370 nan 0.000 0.497 270 S N -0.798 114.849 115.700 -0.089 0.000 2.524 270 S HA 0.187 4.581 4.470 -0.127 0.000 0.216 270 S C 1.817 176.368 174.600 -0.083 0.000 0.987 270 S CA -0.017 58.142 58.200 -0.068 0.000 0.909 270 S CB 0.735 63.894 63.200 -0.069 0.000 0.781 270 S HN 0.249 nan 8.310 nan 0.000 0.521 271 I N -0.694 119.787 120.570 -0.148 0.000 3.518 271 I HA 0.243 4.337 4.170 -0.127 0.000 0.260 271 I C 0.658 176.670 176.117 -0.174 0.000 1.148 271 I CA 0.140 61.283 61.300 -0.261 0.000 1.440 271 I CB 0.652 38.347 38.000 -0.508 0.000 1.485 271 I HN 0.180 nan 8.210 nan 0.000 0.456 272 S N -0.595 115.025 115.700 -0.133 0.000 2.578 272 S HA 0.179 4.573 4.470 -0.127 0.000 0.272 272 S C 0.041 174.640 174.600 -0.001 0.000 1.145 272 S CA -0.006 58.200 58.200 0.008 0.000 0.835 272 S CB 1.178 64.483 63.200 0.174 0.000 1.104 272 S HN 0.199 nan 8.310 nan 0.000 0.458 273 S N 1.422 117.138 115.700 0.027 0.000 2.605 273 S HA 0.312 4.706 4.470 -0.127 0.000 0.217 273 S C 0.512 175.126 174.600 0.024 0.000 0.958 273 S CA -0.322 57.886 58.200 0.014 0.000 0.919 273 S CB -0.176 63.031 63.200 0.011 0.000 0.780 273 S HN 0.552 nan 8.310 nan 0.000 0.507 274 K N 0.911 121.340 120.400 0.049 0.000 2.440 274 K HA 0.400 4.644 4.320 -0.127 0.000 0.206 274 K C 0.533 177.165 176.600 0.053 0.000 1.025 274 K CA -0.008 56.310 56.287 0.052 0.000 1.135 274 K CB 0.211 32.752 32.500 0.068 0.000 0.856 274 K HN 0.415 nan 8.250 nan 0.000 0.502 275 L N 0.079 121.322 121.223 0.035 0.000 2.616 275 L HA 0.073 4.337 4.340 -0.127 0.000 0.229 275 L C 2.054 178.929 176.870 0.008 0.000 1.110 275 L CA 0.073 54.928 54.840 0.024 0.000 0.884 275 L CB 0.080 42.133 42.059 -0.010 0.000 1.115 275 L HN -0.044 nan 8.230 nan 0.000 0.481 276 K N 1.295 121.697 120.400 0.005 0.000 1.988 276 K HA -0.246 3.998 4.320 -0.127 0.000 0.221 276 K C 1.837 178.441 176.600 0.005 0.000 1.053 276 K CA 1.967 58.254 56.287 0.000 0.000 0.959 276 K CB -0.093 32.408 32.500 0.001 0.000 0.728 276 K HN 0.228 nan 8.250 nan 0.000 0.447 277 E N -0.474 119.734 120.200 0.014 0.000 2.153 277 E HA -0.192 4.082 4.350 -0.127 0.000 0.194 277 E C 2.271 178.883 176.600 0.020 0.000 0.988 277 E CA 1.282 57.693 56.400 0.018 0.000 0.811 277 E CB -0.229 29.485 29.700 0.024 0.000 0.746 277 E HN 0.410 nan 8.360 nan 0.000 0.466 278 c N 0.301 118.915 118.600 0.023 0.000 2.432 278 c HA -0.135 4.359 4.570 -0.127 0.000 0.277 278 c C 2.788 176.883 174.090 0.008 0.000 1.249 278 c CA 0.304 56.647 56.329 0.023 0.000 1.725 278 c CB -0.815 41.715 42.510 0.032 0.000 2.028 278 c HN 0.548 nan 8.230 nan 0.000 0.477 279 c N 0.856 119.456 118.600 0.001 0.000 2.522 279 c HA 0.000 4.494 4.570 -0.127 0.000 0.271 279 c C 1.551 175.636 174.090 -0.008 0.000 1.425 279 c CA 0.412 56.735 56.329 -0.009 0.000 1.751 279 c CB -1.866 40.631 42.510 -0.022 0.000 1.775 279 c HN 0.622 nan 8.230 nan 0.000 0.557 280 E N 0.896 121.095 120.200 -0.002 0.000 2.336 280 E HA 0.143 4.417 4.350 -0.127 0.000 0.214 280 E C -0.054 176.548 176.600 0.003 0.000 1.144 280 E CA 0.234 56.633 56.400 -0.000 0.000 1.294 280 E CB 0.179 29.880 29.700 0.002 0.000 1.263 280 E HN 0.602 nan 8.360 nan 0.000 0.439 281 K N 1.162 121.562 120.400 -0.000 0.000 2.422 281 K HA 0.367 4.611 4.320 -0.127 0.000 0.251 281 K C -2.724 173.872 176.600 -0.007 0.000 0.933 281 K CA -2.394 53.894 56.287 0.000 0.000 0.798 281 K CB 1.907 34.407 32.500 -0.001 0.000 1.238 281 K HN -0.145 nan 8.250 nan 0.000 0.428 282 P HA -0.068 nan 4.420 nan 0.000 0.266 282 P C 0.386 177.673 177.300 -0.022 0.000 1.186 282 P CA 0.118 63.218 63.100 0.001 0.000 0.767 282 P CB 0.472 32.185 31.700 0.022 0.000 0.820 283 L N 1.804 123.016 121.223 -0.019 0.000 2.079 283 L HA -0.200 4.064 4.340 -0.127 0.000 0.210 283 L C 2.269 179.097 176.870 -0.069 0.000 1.081 283 L CA 1.690 56.511 54.840 -0.032 0.000 0.752 283 L CB -0.836 41.212 42.059 -0.018 0.000 0.896 283 L HN 0.402 nan 8.230 nan 0.000 0.433 284 L N -1.050 120.125 121.223 -0.080 0.000 2.044 284 L HA -0.169 4.095 4.340 -0.127 0.000 0.205 284 L C 2.558 179.124 176.870 -0.507 0.000 1.075 284 L CA 0.950 55.686 54.840 -0.173 0.000 0.747 284 L CB -0.499 41.552 42.059 -0.012 0.000 0.903 284 L HN 0.154 nan 8.230 nan 0.000 0.435 285 E N 0.226 120.125 120.200 -0.503 0.000 2.147 285 E HA -0.292 3.982 4.350 -0.127 0.000 0.199 285 E C 2.090 178.530 176.600 -0.267 0.000 1.005 285 E CA 1.479 57.550 56.400 -0.549 0.000 0.810 285 E CB -0.121 29.494 29.700 -0.141 0.000 0.736 285 E HN 0.278 nan 8.360 nan 0.000 0.460 286 K N -0.008 120.303 120.400 -0.149 0.000 2.002 286 K HA -0.112 4.132 4.320 -0.127 0.000 0.209 286 K C 2.248 178.826 176.600 -0.037 0.000 1.048 286 K CA 1.614 57.864 56.287 -0.061 0.000 0.930 286 K CB -0.095 32.383 32.500 -0.038 0.000 0.714 286 K HN -0.003 nan 8.250 nan 0.000 0.438 287 S N -0.379 115.290 115.700 -0.051 0.000 2.382 287 S HA -0.178 4.216 4.470 -0.127 0.000 0.228 287 S C 1.690 176.312 174.600 0.036 0.000 1.027 287 S CA 1.496 59.698 58.200 0.002 0.000 0.991 287 S CB -0.451 62.743 63.200 -0.010 0.000 0.823 287 S HN 0.511 nan 8.310 nan 0.000 0.469 288 H N 0.211 119.191 119.070 -0.150 0.000 2.290 288 H HA -0.119 4.359 4.556 -0.130 0.000 0.298 288 H C 2.493 177.816 175.328 -0.009 0.000 1.087 288 H CA 2.098 58.087 56.048 -0.097 0.000 1.291 288 H CB -0.833 28.706 29.762 -0.373 0.000 1.369 288 H HN 0.400 nan 8.280 nan 0.000 0.492 289 c N 0.083 118.702 118.600 0.031 0.000 2.413 289 c HA -0.142 4.352 4.570 -0.127 0.000 0.277 289 c C 2.837 176.934 174.090 0.011 0.000 1.228 289 c CA 1.294 57.636 56.329 0.022 0.000 1.731 289 c CB -1.379 41.168 42.510 0.062 0.000 2.042 289 c HN 0.710 nan 8.230 nan 0.000 0.468 290 I N 1.363 121.961 120.570 0.048 0.000 2.127 290 I HA -0.233 3.861 4.170 -0.127 0.000 0.241 290 I C 2.821 179.010 176.117 0.120 0.000 1.075 290 I CA 1.866 63.230 61.300 0.108 0.000 1.334 290 I CB -0.733 37.338 38.000 0.119 0.000 1.040 290 I HN 0.407 nan 8.210 nan 0.000 0.405 291 A N 0.500 123.380 122.820 0.099 0.000 2.084 291 A HA -0.195 4.049 4.320 -0.127 0.000 0.221 291 A C 1.324 178.944 177.584 0.060 0.000 1.161 291 A CA 2.017 54.130 52.037 0.126 0.000 0.653 291 A CB -0.508 18.595 19.000 0.172 0.000 0.802 291 A HN 0.714 nan 8.150 nan 0.000 0.457 292 E N -0.890 119.300 120.200 -0.015 0.000 3.918 292 E HA 0.336 4.610 4.350 -0.127 0.000 0.183 292 E C -0.676 175.900 176.600 -0.039 0.000 1.021 292 E CA -0.343 56.033 56.400 -0.040 0.000 1.431 292 E CB -0.724 28.936 29.700 -0.066 0.000 1.140 292 E HN 0.126 nan 8.360 nan 0.000 0.435 293 V N 1.575 121.481 119.914 -0.013 0.000 2.785 293 V HA 0.158 4.202 4.120 -0.127 0.000 0.300 293 V C 0.235 176.314 176.094 -0.024 0.000 1.062 293 V CA -0.330 61.974 62.300 0.006 0.000 1.029 293 V CB 1.395 33.254 31.823 0.061 0.000 1.024 293 V HN 0.509 nan 8.190 nan 0.000 0.477 294 E N 4.709 124.900 120.200 -0.015 0.000 2.413 294 E HA 0.061 4.335 4.350 -0.127 0.000 0.263 294 E C -0.270 176.303 176.600 -0.045 0.000 1.015 294 E CA -0.392 55.985 56.400 -0.038 0.000 0.916 294 E CB 0.232 29.917 29.700 -0.026 0.000 0.947 294 E HN 0.695 nan 8.360 nan 0.000 0.440 295 N N 2.634 121.285 118.700 -0.081 0.000 2.395 295 N HA -0.027 4.637 4.740 -0.127 0.000 0.246 295 N C -0.440 175.047 175.510 -0.037 0.000 1.246 295 N CA 0.073 53.066 53.050 -0.094 0.000 0.879 295 N CB 0.301 38.718 38.487 -0.115 0.000 1.098 295 N HN 0.564 nan 8.380 nan 0.000 0.444 296 D N 0.537 120.935 120.400 -0.003 0.000 2.377 296 D HA 0.052 4.616 4.640 -0.127 0.000 0.245 296 D C -0.192 176.104 176.300 -0.007 0.000 1.196 296 D CA -0.251 53.764 54.000 0.026 0.000 0.962 296 D CB 0.629 41.480 40.800 0.084 0.000 1.127 296 D HN 0.240 nan 8.370 nan 0.000 0.471 297 E N 0.742 120.938 120.200 -0.006 0.000 2.415 297 E HA -0.030 4.244 4.350 -0.127 0.000 0.262 297 E C 0.127 176.708 176.600 -0.032 0.000 1.038 297 E CA 0.124 56.511 56.400 -0.023 0.000 0.921 297 E CB 0.403 30.093 29.700 -0.018 0.000 0.950 297 E HN 0.445 nan 8.360 nan 0.000 0.438 298 M N 3.714 123.280 119.600 -0.055 0.000 2.146 298 M HA 0.205 4.608 4.480 -0.127 0.000 0.357 298 M C -2.200 174.062 176.300 -0.063 0.000 1.261 298 M CA -1.551 53.704 55.300 -0.075 0.000 1.106 298 M CB 0.640 33.172 32.600 -0.113 0.000 1.612 298 M HN 0.074 nan 8.290 nan 0.000 0.470 299 P HA 0.048 nan 4.420 nan 0.000 0.269 299 P C -0.448 176.819 177.300 -0.056 0.000 1.211 299 P CA 0.016 63.090 63.100 -0.043 0.000 0.781 299 P CB 0.534 32.213 31.700 -0.034 0.000 0.877 300 A N 1.042 123.836 122.820 -0.044 0.000 1.844 300 A HA -0.061 4.183 4.320 -0.127 0.000 0.212 300 A C 1.374 178.929 177.584 -0.049 0.000 1.221 300 A CA 1.226 53.236 52.037 -0.045 0.000 0.607 300 A CB -0.882 18.098 19.000 -0.033 0.000 0.878 300 A HN 0.536 nan 8.150 nan 0.000 0.451 301 D N 0.738 121.114 120.400 -0.041 0.000 3.085 301 D HA 0.266 4.830 4.640 -0.127 0.000 0.243 301 D C -0.547 175.725 176.300 -0.046 0.000 1.232 301 D CA -0.102 53.874 54.000 -0.039 0.000 0.913 301 D CB -0.735 40.048 40.800 -0.028 0.000 1.108 301 D HN 0.261 nan 8.370 nan 0.000 0.468 302 L N 2.406 123.590 121.223 -0.065 0.000 2.290 302 L HA 0.364 4.628 4.340 -0.127 0.000 0.284 302 L C -1.458 175.365 176.870 -0.077 0.000 1.078 302 L CA -1.474 53.319 54.840 -0.079 0.000 0.815 302 L CB 0.859 42.849 42.059 -0.115 0.000 1.162 302 L HN 0.112 nan 8.230 nan 0.000 0.435 303 P HA 0.112 nan 4.420 nan 0.000 0.276 303 P C -0.404 176.852 177.300 -0.074 0.000 1.261 303 P CA -0.558 62.504 63.100 -0.064 0.000 0.800 303 P CB 1.094 32.760 31.700 -0.057 0.000 1.066 304 S N 0.084 115.746 115.700 -0.064 0.000 2.552 304 S HA 0.019 4.413 4.470 -0.127 0.000 0.289 304 S C 1.678 176.253 174.600 -0.041 0.000 1.304 304 S CA -0.487 57.676 58.200 -0.061 0.000 1.063 304 S CB -0.516 62.647 63.200 -0.062 0.000 0.848 304 S HN 0.390 nan 8.310 nan 0.000 0.499 305 L N 4.615 125.827 121.223 -0.018 0.000 2.021 305 L HA -0.232 4.032 4.340 -0.127 0.000 0.215 305 L C 2.764 179.753 176.870 0.200 0.000 1.074 305 L CA 1.907 56.805 54.840 0.098 0.000 0.760 305 L CB -0.838 41.272 42.059 0.086 0.000 0.889 305 L HN 0.910 nan 8.230 nan 0.000 0.433 306 A N -0.479 122.384 122.820 0.072 0.000 2.032 306 A HA -0.234 4.010 4.320 -0.127 0.000 0.221 306 A C 2.438 180.059 177.584 0.062 0.000 1.165 306 A CA 1.817 53.848 52.037 -0.011 0.000 0.645 306 A CB -0.622 18.178 19.000 -0.333 0.000 0.807 306 A HN 0.504 nan 8.150 nan 0.000 0.453 307 A N 0.083 122.907 122.820 0.007 0.000 1.841 307 A HA -0.163 4.081 4.320 -0.127 0.000 0.214 307 A C 1.787 179.357 177.584 -0.024 0.000 1.195 307 A CA 1.718 53.749 52.037 -0.009 0.000 0.611 307 A CB -0.555 18.421 19.000 -0.040 0.000 0.835 307 A HN 0.445 nan 8.150 nan 0.000 0.443 308 D N -1.467 118.831 120.400 -0.169 0.000 2.269 308 D HA -0.024 4.540 4.640 -0.127 0.000 0.208 308 D C 0.885 177.005 176.300 -0.301 0.000 0.963 308 D CA 1.010 54.791 54.000 -0.366 0.000 0.864 308 D CB -0.116 40.195 40.800 -0.814 0.000 0.936 308 D HN 0.482 nan 8.370 nan 0.000 0.505 309 F N -0.972 119.122 119.950 0.239 0.000 2.728 309 F HA 0.151 4.603 4.527 -0.125 0.000 0.314 309 F C 1.688 177.737 175.800 0.415 0.000 1.094 309 F CA -0.082 58.135 58.000 0.363 0.000 1.217 309 F CB 0.611 39.804 39.000 0.321 0.000 1.056 309 F HN -0.228 nan 8.300 nan 0.000 0.577 310 V N -1.510 118.692 119.914 0.480 0.000 3.629 310 V HA 0.032 4.076 4.120 -0.127 0.000 0.194 310 V C 1.674 178.038 176.094 0.450 0.000 1.343 310 V CA 0.264 62.862 62.300 0.498 0.000 1.292 310 V CB -0.011 32.039 31.823 0.377 0.000 1.287 310 V HN -0.086 nan 8.190 nan 0.000 0.554 311 E N 1.040 121.387 120.200 0.246 0.000 2.077 311 E HA -0.093 4.181 4.350 -0.127 0.000 0.193 311 E C 1.267 178.016 176.600 0.249 0.000 0.989 311 E CA 1.149 57.654 56.400 0.176 0.000 0.800 311 E CB -0.081 29.657 29.700 0.063 0.000 0.746 311 E HN 0.416 nan 8.360 nan 0.000 0.452 312 S N 0.519 116.362 115.700 0.238 0.000 2.554 312 S HA -0.104 4.290 4.470 -0.127 0.000 0.290 312 S C 0.952 175.770 174.600 0.364 0.000 1.309 312 S CA 0.189 58.527 58.200 0.230 0.000 1.047 312 S CB 0.514 63.809 63.200 0.158 0.000 0.828 312 S HN 0.286 nan 8.310 nan 0.000 0.509 313 K N 1.750 122.349 120.400 0.331 0.000 2.393 313 K HA 0.178 4.422 4.320 -0.127 0.000 0.193 313 K C -0.257 176.396 176.600 0.090 0.000 1.026 313 K CA 0.268 56.749 56.287 0.322 0.000 1.064 313 K CB 0.134 32.855 32.500 0.370 0.000 0.833 313 K HN 0.404 nan 8.250 nan 0.000 0.521 314 D N 1.386 121.848 120.400 0.102 0.000 2.388 314 D HA 0.051 4.615 4.640 -0.127 0.000 0.221 314 D C 1.356 177.664 176.300 0.014 0.000 1.133 314 D CA -0.077 53.954 54.000 0.050 0.000 0.831 314 D CB 0.716 41.554 40.800 0.064 0.000 0.962 314 D HN -0.043 nan 8.370 nan 0.000 0.502 315 V N 0.249 120.165 119.914 0.002 0.000 2.229 315 V HA -0.279 3.765 4.120 -0.127 0.000 0.243 315 V C 2.540 178.471 176.094 -0.271 0.000 1.042 315 V CA 1.457 63.691 62.300 -0.109 0.000 1.000 315 V CB -0.536 31.148 31.823 -0.231 0.000 0.637 315 V HN 0.342 nan 8.190 nan 0.000 0.446 316 c N 0.119 118.595 118.600 -0.208 0.000 2.403 316 c HA -0.201 4.293 4.570 -0.127 0.000 0.277 316 c C 2.764 176.808 174.090 -0.076 0.000 1.248 316 c CA 1.493 57.753 56.329 -0.115 0.000 1.762 316 c CB -1.121 41.360 42.510 -0.047 0.000 2.014 316 c HN 0.678 nan 8.230 nan 0.000 0.486 317 K N 1.416 121.771 120.400 -0.075 0.000 1.987 317 K HA -0.244 4.000 4.320 -0.127 0.000 0.216 317 K C 2.061 178.607 176.600 -0.089 0.000 1.051 317 K CA 2.056 58.309 56.287 -0.057 0.000 0.942 317 K CB -0.606 31.879 32.500 -0.025 0.000 0.722 317 K HN 0.520 nan 8.250 nan 0.000 0.444 318 N N -0.658 117.969 118.700 -0.122 0.000 2.188 318 N HA -0.188 4.476 4.740 -0.127 0.000 0.184 318 N C 1.985 177.320 175.510 -0.291 0.000 1.018 318 N CA 1.092 54.077 53.050 -0.108 0.000 0.858 318 N CB -0.138 38.380 38.487 0.052 0.000 0.989 318 N HN 0.299 nan 8.380 nan 0.000 0.426 319 Y N 1.935 121.721 120.300 -0.856 0.000 2.053 319 Y HA -0.247 4.227 4.550 -0.128 0.000 0.277 319 Y C 2.398 178.132 175.900 -0.277 0.000 1.159 319 Y CA 1.987 59.598 58.100 -0.815 0.000 1.125 319 Y CB -0.923 37.100 38.460 -0.727 0.000 0.969 319 Y HN 0.117 nan 8.280 nan 0.000 0.492 320 A N 0.282 122.923 122.820 -0.299 0.000 1.908 320 A HA -0.244 4.000 4.320 -0.127 0.000 0.218 320 A C 2.117 179.590 177.584 -0.185 0.000 1.181 320 A CA 1.977 53.843 52.037 -0.285 0.000 0.627 320 A CB -0.898 18.016 19.000 -0.142 0.000 0.818 320 A HN 0.674 nan 8.150 nan 0.000 0.445 321 E N -0.743 119.393 120.200 -0.105 0.000 2.114 321 E HA -0.059 4.215 4.350 -0.127 0.000 0.199 321 E C 0.639 177.225 176.600 -0.023 0.000 1.008 321 E CA 1.054 57.430 56.400 -0.040 0.000 0.810 321 E CB -0.172 29.531 29.700 0.005 0.000 0.739 321 E HN 0.580 nan 8.360 nan 0.000 0.456 322 A N 0.479 123.293 122.820 -0.010 0.000 2.768 322 A HA 0.184 4.428 4.320 -0.127 0.000 0.298 322 A C 0.543 178.160 177.584 0.054 0.000 1.159 322 A CA -0.608 51.450 52.037 0.035 0.000 0.783 322 A CB 0.680 19.744 19.000 0.107 0.000 1.333 322 A HN 0.142 nan 8.150 nan 0.000 0.412 323 K N 0.840 121.182 120.400 -0.096 0.000 2.025 323 K HA -0.144 4.100 4.320 -0.127 0.000 0.207 323 K C 0.557 177.248 176.600 0.151 0.000 1.049 323 K CA 2.115 58.301 56.287 -0.168 0.000 0.933 323 K CB -0.117 32.102 32.500 -0.469 0.000 0.714 323 K HN 0.368 nan 8.250 nan 0.000 0.438 324 D N 0.476 120.949 120.400 0.122 0.000 2.178 324 D HA -0.073 4.491 4.640 -0.127 0.000 0.202 324 D C 1.867 178.310 176.300 0.240 0.000 0.974 324 D CA 0.787 54.893 54.000 0.177 0.000 0.841 324 D CB 0.199 41.077 40.800 0.131 0.000 0.953 324 D HN 0.099 nan 8.370 nan 0.000 0.478 325 V N 0.126 120.186 119.914 0.244 0.000 2.323 325 V HA -0.167 3.877 4.120 -0.127 0.000 0.244 325 V C 1.991 178.260 176.094 0.292 0.000 1.041 325 V CA 1.054 63.531 62.300 0.294 0.000 1.025 325 V CB -0.566 31.412 31.823 0.259 0.000 0.656 325 V HN 0.157 nan 8.190 nan 0.000 0.451 326 F N 0.259 120.326 119.950 0.196 0.000 2.161 326 F HA -0.179 4.272 4.527 -0.127 0.000 0.300 326 F C 2.012 178.000 175.800 0.314 0.000 1.089 326 F CA 1.635 59.796 58.000 0.268 0.000 1.282 326 F CB -0.082 39.126 39.000 0.347 0.000 1.010 326 F HN 0.021 nan 8.300 nan 0.000 0.485 327 L N -1.009 120.479 121.223 0.441 0.000 2.179 327 L HA -0.025 4.239 4.340 -0.127 0.000 0.208 327 L C 2.699 179.714 176.870 0.241 0.000 1.096 327 L CA 1.002 56.055 54.840 0.355 0.000 0.779 327 L CB -1.236 41.035 42.059 0.355 0.000 0.922 327 L HN 0.258 nan 8.230 nan 0.000 0.443 328 G N -0.538 108.408 108.800 0.242 0.000 2.394 328 G HA2 -0.268 3.616 3.960 -0.127 0.000 0.215 328 G HA3 -0.268 3.616 3.960 -0.127 0.000 0.215 328 G C 1.617 176.597 174.900 0.132 0.000 1.165 328 G CA 0.418 45.697 45.100 0.300 0.000 0.784 328 G HN 0.123 nan 8.290 nan 0.000 0.535 329 M N -0.485 118.954 119.600 -0.268 0.000 2.073 329 M HA -0.058 4.346 4.480 -0.127 0.000 0.258 329 M C 2.230 178.422 176.300 -0.181 0.000 1.070 329 M CA 1.796 56.766 55.300 -0.549 0.000 1.103 329 M CB -0.298 32.033 32.600 -0.448 0.000 1.321 329 M HN 0.295 nan 8.290 nan 0.000 0.405 330 F N 0.207 119.866 119.950 -0.485 0.000 2.095 330 F HA -0.289 4.161 4.527 -0.128 0.000 0.298 330 F C 1.844 177.390 175.800 -0.423 0.000 1.104 330 F CA 1.718 59.153 58.000 -0.941 0.000 1.232 330 F CB -0.452 37.916 39.000 -1.054 0.000 0.987 330 F HN 0.112 nan 8.300 nan 0.000 0.475 331 L N -0.084 121.115 121.223 -0.041 0.000 2.017 331 L HA -0.204 4.060 4.340 -0.127 0.000 0.208 331 L C 2.269 179.117 176.870 -0.037 0.000 1.073 331 L CA 2.022 56.844 54.840 -0.030 0.000 0.745 331 L CB -1.611 40.513 42.059 0.107 0.000 0.894 331 L HN 0.428 nan 8.230 nan 0.000 0.432 332 Y N 0.640 120.917 120.300 -0.038 0.000 2.081 332 Y HA -0.280 4.193 4.550 -0.129 0.000 0.280 332 Y C 2.407 178.262 175.900 -0.074 0.000 1.163 332 Y CA 2.320 60.436 58.100 0.027 0.000 1.135 332 Y CB -0.353 38.210 38.460 0.170 0.000 0.970 332 Y HN 0.299 nan 8.280 nan 0.000 0.498 333 E N -1.148 118.827 120.200 -0.375 0.000 2.150 333 E HA -0.206 4.067 4.350 -0.127 0.000 0.193 333 E C 2.039 178.378 176.600 -0.436 0.000 0.985 333 E CA 1.212 57.326 56.400 -0.477 0.000 0.814 333 E CB -0.635 28.979 29.700 -0.142 0.000 0.752 333 E HN 0.627 nan 8.360 nan 0.000 0.466 334 Y N 0.700 120.644 120.300 -0.593 0.000 2.365 334 Y HA 0.025 4.499 4.550 -0.126 0.000 0.293 334 Y C 2.182 177.922 175.900 -0.267 0.000 1.119 334 Y CA 0.838 58.643 58.100 -0.493 0.000 1.203 334 Y CB -0.136 37.852 38.460 -0.787 0.000 1.026 334 Y HN -0.002 nan 8.280 nan 0.000 0.549 335 A N 0.973 123.747 122.820 -0.078 0.000 1.872 335 A HA -0.140 4.104 4.320 -0.127 0.000 0.214 335 A C 2.302 179.801 177.584 -0.143 0.000 1.187 335 A CA 1.512 53.507 52.037 -0.071 0.000 0.614 335 A CB -0.654 18.290 19.000 -0.093 0.000 0.826 335 A HN 0.515 nan 8.150 nan 0.000 0.442 336 R N -0.385 119.978 120.500 -0.229 0.000 2.159 336 R HA -0.086 4.178 4.340 -0.127 0.000 0.237 336 R C 1.710 177.846 176.300 -0.274 0.000 1.131 336 R CA 1.655 57.609 56.100 -0.244 0.000 0.982 336 R CB -0.397 29.703 30.300 -0.335 0.000 0.868 336 R HN 0.399 nan 8.270 nan 0.000 0.453 337 R N -0.180 120.112 120.500 -0.347 0.000 2.299 337 R HA 0.091 4.355 4.340 -0.127 0.000 0.197 337 R C -0.013 175.822 176.300 -0.776 0.000 0.971 337 R CA 0.446 56.237 56.100 -0.514 0.000 1.030 337 R CB 0.237 30.188 30.300 -0.581 0.000 0.932 337 R HN 0.342 nan 8.270 nan 0.000 0.477 338 H N -0.389 118.508 119.070 -0.289 0.000 2.538 338 H HA 0.147 4.627 4.556 -0.128 0.000 0.239 338 H C -2.097 173.067 175.328 -0.273 0.000 1.401 338 H CA -1.851 53.950 56.048 -0.411 0.000 1.499 338 H CB 1.520 30.870 29.762 -0.686 0.000 1.624 338 H HN 0.013 nan 8.280 nan 0.000 0.524 339 P HA -0.041 nan 4.420 nan 0.000 0.245 339 P C 0.812 178.074 177.300 -0.064 0.000 1.212 339 P CA 0.608 63.646 63.100 -0.104 0.000 0.774 339 P CB 0.367 31.995 31.700 -0.119 0.000 0.999 340 D N -2.245 118.119 120.400 -0.059 0.000 2.339 340 D HA -0.057 4.507 4.640 -0.127 0.000 0.217 340 D C -0.065 176.344 176.300 0.182 0.000 1.050 340 D CA -0.126 53.884 54.000 0.018 0.000 0.856 340 D CB -0.431 40.373 40.800 0.006 0.000 0.922 340 D HN 0.065 nan 8.370 nan 0.000 0.518 341 Y N 1.703 121.997 120.300 -0.010 0.000 2.387 341 Y HA 0.330 4.803 4.550 -0.129 0.000 0.336 341 Y C 0.986 176.842 175.900 -0.074 0.000 1.067 341 Y CA -2.501 55.561 58.100 -0.063 0.000 1.114 341 Y CB 1.521 39.913 38.460 -0.115 0.000 1.208 341 Y HN -0.114 nan 8.280 nan 0.000 0.458 342 S N 0.710 116.451 115.700 0.068 0.000 2.568 342 S HA 0.111 4.505 4.470 -0.127 0.000 0.282 342 S C 1.042 175.627 174.600 -0.026 0.000 1.338 342 S CA -0.561 57.644 58.200 0.009 0.000 1.045 342 S CB 0.746 63.940 63.200 -0.011 0.000 0.873 342 S HN 0.438 nan 8.310 nan 0.000 0.516 343 V N 3.052 122.939 119.914 -0.045 0.000 2.287 343 V HA -0.213 3.831 4.120 -0.127 0.000 0.248 343 V C 2.632 178.686 176.094 -0.066 0.000 1.053 343 V CA 2.166 64.406 62.300 -0.100 0.000 1.027 343 V CB -1.365 30.365 31.823 -0.155 0.000 0.646 343 V HN 0.943 nan 8.190 nan 0.000 0.447 344 V N -1.332 118.569 119.914 -0.022 0.000 2.490 344 V HA -0.194 3.849 4.120 -0.127 0.000 0.250 344 V C 2.342 178.381 176.094 -0.093 0.000 1.061 344 V CA 1.978 64.256 62.300 -0.036 0.000 1.064 344 V CB -0.945 30.863 31.823 -0.024 0.000 0.670 344 V HN 0.463 nan 8.190 nan 0.000 0.461 345 L N -0.117 121.032 121.223 -0.123 0.000 2.056 345 L HA 0.035 4.299 4.340 -0.127 0.000 0.207 345 L C 2.275 178.989 176.870 -0.260 0.000 1.078 345 L CA 1.728 56.442 54.840 -0.209 0.000 0.749 345 L CB -0.577 41.316 42.059 -0.278 0.000 0.901 345 L HN 0.243 nan 8.230 nan 0.000 0.433 346 L N -1.192 119.910 121.223 -0.202 0.000 2.083 346 L HA -0.228 4.036 4.340 -0.127 0.000 0.209 346 L C 2.417 179.161 176.870 -0.210 0.000 1.083 346 L CA 1.207 55.906 54.840 -0.235 0.000 0.752 346 L CB -0.431 41.540 42.059 -0.147 0.000 0.899 346 L HN 0.303 nan 8.230 nan 0.000 0.433 347 L N -1.169 119.971 121.223 -0.138 0.000 2.109 347 L HA -0.150 4.114 4.340 -0.127 0.000 0.207 347 L C 2.759 179.571 176.870 -0.097 0.000 1.086 347 L CA 0.979 55.767 54.840 -0.087 0.000 0.760 347 L CB -0.472 41.559 42.059 -0.048 0.000 0.910 347 L HN 0.187 nan 8.230 nan 0.000 0.437 348 R N 0.199 120.623 120.500 -0.127 0.000 2.091 348 R HA -0.160 4.104 4.340 -0.127 0.000 0.238 348 R C 2.299 178.506 176.300 -0.155 0.000 1.136 348 R CA 1.279 57.306 56.100 -0.122 0.000 0.959 348 R CB -0.450 29.771 30.300 -0.131 0.000 0.856 348 R HN 0.326 nan 8.270 nan 0.000 0.437 349 L N -0.061 120.981 121.223 -0.301 0.000 2.042 349 L HA -0.170 4.094 4.340 -0.127 0.000 0.210 349 L C 2.612 179.337 176.870 -0.242 0.000 1.076 349 L CA 1.382 55.913 54.840 -0.516 0.000 0.749 349 L CB -0.581 40.857 42.059 -1.035 0.000 0.893 349 L HN 0.264 nan 8.230 nan 0.000 0.432 350 A N -0.682 122.080 122.820 -0.096 0.000 2.066 350 A HA -0.104 4.139 4.320 -0.127 0.000 0.218 350 A C 2.225 179.828 177.584 0.031 0.000 1.157 350 A CA 0.969 53.035 52.037 0.049 0.000 0.670 350 A CB -0.133 18.944 19.000 0.127 0.000 0.804 350 A HN 0.169 nan 8.150 nan 0.000 0.453 351 K N -0.354 120.050 120.400 0.007 0.000 2.031 351 K HA -0.030 4.214 4.320 -0.127 0.000 0.205 351 K C 2.003 178.615 176.600 0.020 0.000 1.049 351 K CA 1.731 58.027 56.287 0.014 0.000 0.939 351 K CB -1.372 31.129 32.500 0.001 0.000 0.717 351 K HN 0.397 nan 8.250 nan 0.000 0.438 352 T N 1.275 115.861 114.554 0.055 0.000 2.684 352 T HA -0.192 4.081 4.350 -0.127 0.000 0.267 352 T C 1.682 176.448 174.700 0.109 0.000 1.036 352 T CA 1.542 63.708 62.100 0.108 0.000 1.148 352 T CB -0.488 68.518 68.868 0.230 0.000 0.863 352 T HN 0.190 nan 8.240 nan 0.000 0.436 353 Y N 1.861 122.178 120.300 0.028 0.000 2.114 353 Y HA -0.218 4.255 4.550 -0.128 0.000 0.282 353 Y C 2.519 178.272 175.900 -0.245 0.000 1.165 353 Y CA 1.998 59.986 58.100 -0.187 0.000 1.148 353 Y CB -0.474 37.538 38.460 -0.746 0.000 0.972 353 Y HN 0.326 nan 8.280 nan 0.000 0.504 354 E N -0.885 119.184 120.200 -0.218 0.000 2.038 354 E HA -0.249 4.025 4.350 -0.127 0.000 0.195 354 E C 2.100 178.576 176.600 -0.208 0.000 1.000 354 E CA 2.425 58.696 56.400 -0.215 0.000 0.803 354 E CB -0.267 29.431 29.700 -0.004 0.000 0.750 354 E HN 0.638 nan 8.360 nan 0.000 0.448 355 T N -2.394 112.090 114.554 -0.117 0.000 2.951 355 T HA -0.044 4.229 4.350 -0.127 0.000 0.268 355 T C 1.932 176.560 174.700 -0.119 0.000 1.073 355 T CA 1.408 63.459 62.100 -0.081 0.000 1.134 355 T CB -0.471 68.377 68.868 -0.033 0.000 0.884 355 T HN 0.031 nan 8.240 nan 0.000 0.479 356 T N 2.566 117.022 114.554 -0.163 0.000 2.708 356 T HA 0.120 4.393 4.350 -0.127 0.000 0.266 356 T C 1.840 176.385 174.700 -0.257 0.000 1.037 356 T CA 1.107 63.106 62.100 -0.168 0.000 1.146 356 T CB -0.493 68.285 68.868 -0.149 0.000 0.865 356 T HN 0.273 nan 8.240 nan 0.000 0.435 357 L N 0.853 121.772 121.223 -0.507 0.000 2.265 357 L HA -0.081 4.183 4.340 -0.127 0.000 0.215 357 L C 2.768 179.417 176.870 -0.368 0.000 1.117 357 L CA 1.103 55.541 54.840 -0.670 0.000 0.782 357 L CB -0.463 40.767 42.059 -1.381 0.000 0.914 357 L HN 0.275 nan 8.230 nan 0.000 0.441 358 E N 0.579 120.660 120.200 -0.198 0.000 2.076 358 E HA -0.198 4.076 4.350 -0.127 0.000 0.190 358 E C 2.078 178.668 176.600 -0.015 0.000 0.979 358 E CA 1.242 57.628 56.400 -0.022 0.000 0.807 358 E CB 0.108 29.811 29.700 0.005 0.000 0.761 358 E HN 0.571 nan 8.360 nan 0.000 0.454 359 K N -0.296 120.083 120.400 -0.036 0.000 2.284 359 K HA 0.090 4.334 4.320 -0.127 0.000 0.198 359 K C 2.198 178.796 176.600 -0.004 0.000 1.048 359 K CA 0.776 57.055 56.287 -0.014 0.000 0.987 359 K CB -0.278 32.213 32.500 -0.015 0.000 0.800 359 K HN -0.072 nan 8.250 nan 0.000 0.486 360 c N 0.802 119.399 118.600 -0.006 0.000 2.457 360 c HA 0.037 4.531 4.570 -0.127 0.000 0.278 360 c C 2.418 176.542 174.090 0.056 0.000 1.309 360 c CA 0.282 56.636 56.329 0.041 0.000 1.735 360 c CB -0.736 41.837 42.510 0.106 0.000 1.992 360 c HN 0.701 nan 8.230 nan 0.000 0.493 361 c N 0.819 119.437 118.600 0.029 0.000 2.491 361 c HA 0.140 4.634 4.570 -0.127 0.000 0.277 361 c C 2.644 176.749 174.090 0.025 0.000 1.455 361 c CA 0.834 57.182 56.329 0.032 0.000 1.758 361 c CB -1.877 40.644 42.510 0.019 0.000 1.745 361 c HN 0.724 nan 8.230 nan 0.000 0.558 362 A N 0.513 123.345 122.820 0.019 0.000 1.920 362 A HA 0.565 4.809 4.320 -0.127 0.000 0.209 362 A C 1.482 179.073 177.584 0.012 0.000 1.229 362 A CA 0.850 52.895 52.037 0.014 0.000 0.671 362 A CB -0.652 18.354 19.000 0.011 0.000 0.886 362 A HN 0.476 nan 8.150 nan 0.000 0.461 363 A N -0.917 121.911 122.820 0.012 0.000 2.346 363 A HA 0.543 4.787 4.320 -0.127 0.000 0.255 363 A C 1.772 179.361 177.584 0.008 0.000 1.113 363 A CA 0.401 52.443 52.037 0.008 0.000 0.798 363 A CB -0.481 18.523 19.000 0.007 0.000 1.073 363 A HN 1.443 nan 8.150 nan 0.000 0.502 364 A N 0.002 122.824 122.820 0.004 0.000 1.891 364 A HA -0.217 4.027 4.320 -0.127 0.000 0.221 364 A C 0.937 178.523 177.584 0.003 0.000 1.394 364 A CA 2.612 54.651 52.037 0.003 0.000 0.730 364 A CB -0.997 18.003 19.000 -0.000 0.000 0.845 364 A HN 0.900 nan 8.150 nan 0.000 0.471 365 D N -1.817 118.582 120.400 -0.002 0.000 2.461 365 D HA 0.494 5.058 4.640 -0.127 0.000 0.240 365 D C -1.875 174.411 176.300 -0.023 0.000 1.094 365 D CA -1.870 52.126 54.000 -0.006 0.000 0.868 365 D CB 1.365 42.161 40.800 -0.006 0.000 1.062 365 D HN -0.017 nan 8.370 nan 0.000 0.530 366 P HA -0.203 nan 4.420 nan 0.000 0.212 366 P C 0.891 178.005 177.300 -0.310 0.000 1.178 366 P CA 1.364 64.472 63.100 0.014 0.000 0.915 366 P CB 0.109 31.867 31.700 0.097 0.000 0.788 367 H N -0.960 117.867 119.070 -0.405 0.000 2.292 367 H HA -0.218 4.262 4.556 -0.127 0.000 0.292 367 H C 2.224 177.169 175.328 -0.638 0.000 1.100 367 H CA 1.820 57.449 56.048 -0.699 0.000 1.238 367 H CB -0.144 29.457 29.762 -0.269 0.000 1.355 367 H HN 0.250 nan 8.280 nan 0.000 0.484 368 E N 0.106 120.197 120.200 -0.182 0.000 2.017 368 E HA -0.205 4.069 4.350 -0.127 0.000 0.193 368 E C 2.590 179.106 176.600 -0.141 0.000 0.997 368 E CA 1.680 57.998 56.400 -0.135 0.000 0.804 368 E CB -0.078 29.579 29.700 -0.070 0.000 0.757 368 E HN 0.660 nan 8.360 nan 0.000 0.448 369 c N 0.701 119.230 118.600 -0.118 0.000 2.466 369 c HA -0.050 4.444 4.570 -0.127 0.000 0.278 369 c C 2.802 176.895 174.090 0.006 0.000 1.288 369 c CA 0.509 56.812 56.329 -0.043 0.000 1.722 369 c CB -1.742 40.762 42.510 -0.010 0.000 2.017 369 c HN 0.640 nan 8.230 nan 0.000 0.488 370 Y N 2.250 122.558 120.300 0.013 0.000 2.561 370 Y HA 0.444 4.918 4.550 -0.126 0.000 0.291 370 Y C 2.200 178.143 175.900 0.070 0.000 1.141 370 Y CA -0.033 58.075 58.100 0.014 0.000 1.303 370 Y CB -1.372 37.081 38.460 -0.012 0.000 1.015 370 Y HN 0.275 nan 8.280 nan 0.000 0.547 371 A N 1.506 124.346 122.820 0.033 0.000 2.024 371 A HA -0.172 4.072 4.320 -0.127 0.000 0.220 371 A C 2.149 179.793 177.584 0.100 0.000 1.164 371 A CA 1.588 53.673 52.037 0.079 0.000 0.643 371 A CB -0.564 18.413 19.000 -0.039 0.000 0.806 371 A HN 0.522 nan 8.150 nan 0.000 0.451 372 K N -0.335 120.104 120.400 0.065 0.000 2.439 372 K HA 0.064 4.308 4.320 -0.127 0.000 0.197 372 K C 1.593 178.217 176.600 0.039 0.000 1.041 372 K CA 0.588 56.904 56.287 0.050 0.000 0.970 372 K CB -0.210 32.301 32.500 0.018 0.000 0.773 372 K HN 0.292 nan 8.250 nan 0.000 0.479 373 V N 1.007 120.949 119.914 0.046 0.000 2.277 373 V HA -0.306 3.738 4.120 -0.127 0.000 0.255 373 V C 1.815 177.644 176.094 -0.442 0.000 1.074 373 V CA 1.946 64.140 62.300 -0.176 0.000 1.058 373 V CB -0.523 31.271 31.823 -0.048 0.000 0.656 373 V HN 0.248 nan 8.190 nan 0.000 0.449 374 F N 0.138 119.913 119.950 -0.292 0.000 2.365 374 F HA -0.107 4.345 4.527 -0.125 0.000 0.300 374 F C 2.166 177.952 175.800 -0.022 0.000 1.090 374 F CA 1.398 59.321 58.000 -0.128 0.000 1.408 374 F CB -0.392 38.669 39.000 0.102 0.000 1.060 374 F HN 0.274 nan 8.300 nan 0.000 0.534 375 D N -0.428 120.031 120.400 0.097 0.000 2.323 375 D HA -0.074 4.490 4.640 -0.127 0.000 0.209 375 D C 1.901 178.215 176.300 0.024 0.000 0.973 375 D CA 0.611 54.656 54.000 0.074 0.000 0.874 375 D CB -0.134 40.703 40.800 0.061 0.000 0.930 375 D HN 0.415 nan 8.370 nan 0.000 0.521 376 E N -0.135 120.029 120.200 -0.060 0.000 2.152 376 E HA -0.081 4.193 4.350 -0.127 0.000 0.192 376 E C 1.470 178.117 176.600 0.077 0.000 0.983 376 E CA 0.433 56.810 56.400 -0.039 0.000 0.818 376 E CB 0.001 29.637 29.700 -0.107 0.000 0.758 376 E HN 0.208 nan 8.360 nan 0.000 0.467 377 F N 1.696 121.627 119.950 -0.032 0.000 2.407 377 F HA -0.010 4.442 4.527 -0.124 0.000 0.299 377 F C 1.999 177.747 175.800 -0.086 0.000 1.097 377 F CA 0.507 58.444 58.000 -0.106 0.000 1.422 377 F CB -0.489 38.395 39.000 -0.194 0.000 1.067 377 F HN -0.110 nan 8.300 nan 0.000 0.539 378 K N 0.584 121.079 120.400 0.157 0.000 1.969 378 K HA -0.172 4.072 4.320 -0.127 0.000 0.216 378 K C -0.246 176.375 176.600 0.035 0.000 1.048 378 K CA 1.979 58.322 56.287 0.093 0.000 0.948 378 K CB -1.541 31.014 32.500 0.091 0.000 0.726 378 K HN 0.124 nan 8.250 nan 0.000 0.442 379 P HA -0.184 nan 4.420 nan 0.000 0.216 379 P C 1.351 178.636 177.300 -0.026 0.000 1.150 379 P CA 1.473 64.576 63.100 0.004 0.000 0.843 379 P CB -0.127 31.579 31.700 0.010 0.000 0.787 380 L N -1.143 120.060 121.223 -0.033 0.000 2.131 380 L HA -0.117 4.147 4.340 -0.127 0.000 0.210 380 L C 2.596 179.367 176.870 -0.165 0.000 1.092 380 L CA 1.131 55.919 54.840 -0.086 0.000 0.759 380 L CB -0.958 41.047 42.059 -0.091 0.000 0.903 380 L HN -0.145 nan 8.230 nan 0.000 0.435 381 V N -0.526 119.272 119.914 -0.193 0.000 2.488 381 V HA -0.194 3.850 4.120 -0.127 0.000 0.246 381 V C 2.148 178.125 176.094 -0.194 0.000 1.046 381 V CA 1.521 63.632 62.300 -0.315 0.000 1.053 381 V CB -0.246 31.381 31.823 -0.326 0.000 0.679 381 V HN 0.384 nan 8.190 nan 0.000 0.458 382 E N -0.620 119.522 120.200 -0.098 0.000 2.318 382 E HA -0.096 4.178 4.350 -0.127 0.000 0.193 382 E C 2.266 178.842 176.600 -0.039 0.000 0.998 382 E CA 0.253 56.624 56.400 -0.048 0.000 0.859 382 E CB 0.018 29.710 29.700 -0.013 0.000 0.812 382 E HN 0.482 nan 8.360 nan 0.000 0.492 383 E N 0.740 120.912 120.200 -0.047 0.000 2.051 383 E HA -0.128 4.146 4.350 -0.127 0.000 0.192 383 E C -0.823 175.761 176.600 -0.027 0.000 0.991 383 E CA 1.269 57.651 56.400 -0.030 0.000 0.799 383 E CB -0.733 28.949 29.700 -0.030 0.000 0.748 383 E HN 0.166 nan 8.360 nan 0.000 0.449 384 P HA -0.137 nan 4.420 nan 0.000 0.215 384 P C 1.405 178.695 177.300 -0.016 0.000 1.157 384 P CA 1.503 64.582 63.100 -0.036 0.000 0.868 384 P CB -0.151 31.504 31.700 -0.075 0.000 0.788 385 Q N -0.352 119.431 119.800 -0.028 0.000 2.045 385 Q HA -0.254 4.010 4.340 -0.127 0.000 0.206 385 Q C 2.143 178.152 176.000 0.015 0.000 0.991 385 Q CA 2.195 57.997 55.803 -0.001 0.000 0.851 385 Q CB -0.702 28.036 28.738 -0.000 0.000 0.911 385 Q HN 0.372 nan 8.270 nan 0.000 0.418 386 N N 0.097 118.804 118.700 0.011 0.000 2.166 386 N HA -0.200 4.464 4.740 -0.127 0.000 0.186 386 N C 1.617 177.145 175.510 0.030 0.000 1.019 386 N CA 1.034 54.097 53.050 0.020 0.000 0.856 386 N CB -0.409 38.088 38.487 0.017 0.000 0.993 386 N HN 0.164 nan 8.380 nan 0.000 0.426 387 L N 0.087 121.328 121.223 0.030 0.000 1.994 387 L HA -0.017 4.247 4.340 -0.127 0.000 0.208 387 L C 1.978 178.884 176.870 0.059 0.000 1.071 387 L CA 1.329 56.197 54.840 0.047 0.000 0.745 387 L CB -0.457 41.629 42.059 0.046 0.000 0.892 387 L HN 0.211 nan 8.230 nan 0.000 0.431 388 I N -0.161 120.439 120.570 0.050 0.000 2.361 388 I HA -0.288 3.806 4.170 -0.127 0.000 0.251 388 I C 2.448 178.593 176.117 0.048 0.000 1.133 388 I CA 1.340 62.673 61.300 0.055 0.000 1.413 388 I CB -1.512 36.517 38.000 0.048 0.000 1.073 388 I HN 0.433 nan 8.210 nan 0.000 0.424 389 K N 0.749 121.174 120.400 0.041 0.000 2.031 389 K HA -0.203 4.041 4.320 -0.127 0.000 0.205 389 K C 2.179 178.800 176.600 0.036 0.000 1.049 389 K CA 1.233 57.541 56.287 0.035 0.000 0.939 389 K CB 0.053 32.572 32.500 0.032 0.000 0.717 389 K HN 0.280 nan 8.250 nan 0.000 0.438 390 Q N 0.503 120.329 119.800 0.043 0.000 2.050 390 Q HA -0.131 4.133 4.340 -0.127 0.000 0.202 390 Q C 1.586 177.622 176.000 0.060 0.000 0.980 390 Q CA 1.720 57.552 55.803 0.048 0.000 0.840 390 Q CB 0.064 28.834 28.738 0.053 0.000 0.898 390 Q HN 0.289 nan 8.270 nan 0.000 0.424 391 N N -0.495 118.257 118.700 0.087 0.000 2.453 391 N HA -0.101 4.563 4.740 -0.127 0.000 0.183 391 N C 1.348 176.854 175.510 -0.007 0.000 1.041 391 N CA 0.804 53.931 53.050 0.127 0.000 0.900 391 N CB -0.291 38.338 38.487 0.236 0.000 0.961 391 N HN 0.300 nan 8.380 nan 0.000 0.443 392 c N 0.608 119.205 118.600 -0.004 0.000 2.495 392 c HA 0.112 4.606 4.570 -0.127 0.000 0.275 392 c C 2.381 176.472 174.090 0.002 0.000 1.392 392 c CA -0.145 56.172 56.329 -0.021 0.000 1.766 392 c CB -0.466 42.047 42.510 0.004 0.000 1.933 392 c HN 0.477 nan 8.230 nan 0.000 0.519 393 E N 0.569 120.765 120.200 -0.006 0.000 2.028 393 E HA -0.203 4.071 4.350 -0.127 0.000 0.191 393 E C 1.989 178.559 176.600 -0.049 0.000 0.988 393 E CA 0.930 57.321 56.400 -0.015 0.000 0.799 393 E CB -0.270 29.430 29.700 -0.000 0.000 0.755 393 E HN 0.381 nan 8.360 nan 0.000 0.447 394 L N 0.899 122.096 121.223 -0.043 0.000 1.997 394 L HA -0.226 4.038 4.340 -0.127 0.000 0.216 394 L C 2.175 178.937 176.870 -0.179 0.000 1.074 394 L CA 1.722 56.532 54.840 -0.049 0.000 0.763 394 L CB -0.728 41.363 42.059 0.054 0.000 0.890 394 L HN 0.140 nan 8.230 nan 0.000 0.434 395 F N 0.553 120.142 119.950 -0.603 0.000 2.091 395 F HA -0.245 4.209 4.527 -0.121 0.000 0.299 395 F C 2.352 177.968 175.800 -0.307 0.000 1.103 395 F CA 2.104 59.644 58.000 -0.768 0.000 1.228 395 F CB -0.394 38.016 39.000 -0.984 0.000 0.984 395 F HN 0.200 nan 8.300 nan 0.000 0.477 396 E N 0.336 120.302 120.200 -0.389 0.000 2.153 396 E HA -0.217 4.057 4.350 -0.127 0.000 0.194 396 E C 2.192 178.622 176.600 -0.284 0.000 0.988 396 E CA 1.279 57.452 56.400 -0.378 0.000 0.811 396 E CB -0.531 29.090 29.700 -0.132 0.000 0.746 396 E HN 0.668 nan 8.360 nan 0.000 0.466 397 Q N -0.122 119.561 119.800 -0.196 0.000 2.049 397 Q HA -0.003 4.261 4.340 -0.127 0.000 0.198 397 Q C 2.253 178.178 176.000 -0.125 0.000 0.971 397 Q CA 0.919 56.649 55.803 -0.122 0.000 0.833 397 Q CB 0.105 28.805 28.738 -0.064 0.000 0.896 397 Q HN 0.253 nan 8.270 nan 0.000 0.434 398 L N -1.205 119.932 121.223 -0.143 0.000 2.463 398 L HA 0.244 4.507 4.340 -0.127 0.000 0.219 398 L C 0.967 177.780 176.870 -0.095 0.000 1.088 398 L CA 0.224 55.025 54.840 -0.064 0.000 0.849 398 L CB 0.045 42.129 42.059 0.042 0.000 1.012 398 L HN 0.281 nan 8.230 nan 0.000 0.468 399 G N 0.865 109.487 108.800 -0.296 0.000 2.829 399 G HA2 -0.304 3.580 3.960 -0.127 0.000 0.628 399 G HA3 -0.304 3.580 3.960 -0.127 0.000 0.628 399 G C 0.320 175.229 174.900 0.015 0.000 1.412 399 G CA 0.224 45.145 45.100 -0.300 0.000 0.864 399 G HN 0.288 nan 8.290 nan 0.000 0.544 400 E N -0.822 119.502 120.200 0.206 0.000 2.017 400 E HA -0.184 4.090 4.350 -0.127 0.000 0.193 400 E C 2.114 178.940 176.600 0.376 0.000 0.997 400 E CA 1.842 58.524 56.400 0.470 0.000 0.804 400 E CB -0.216 29.738 29.700 0.423 0.000 0.757 400 E HN 0.664 nan 8.360 nan 0.000 0.448 401 Y N 1.508 121.904 120.300 0.160 0.000 2.114 401 Y HA -0.225 4.248 4.550 -0.129 0.000 0.282 401 Y C 1.918 177.890 175.900 0.120 0.000 1.165 401 Y CA 2.096 60.264 58.100 0.114 0.000 1.148 401 Y CB -0.072 38.433 38.460 0.076 0.000 0.972 401 Y HN -0.044 nan 8.280 nan 0.000 0.504 402 K N -1.354 119.086 120.400 0.065 0.000 2.155 402 K HA -0.142 4.102 4.320 -0.127 0.000 0.203 402 K C 1.976 178.632 176.600 0.094 0.000 1.052 402 K CA 1.094 57.373 56.287 -0.014 0.000 0.948 402 K CB -0.449 32.087 32.500 0.061 0.000 0.728 402 K HN 0.277 nan 8.250 nan 0.000 0.448 403 F N 2.790 122.759 119.950 0.032 0.000 2.134 403 F HA -0.180 4.271 4.527 -0.127 0.000 0.299 403 F C 2.020 177.848 175.800 0.047 0.000 1.097 403 F CA 1.520 59.574 58.000 0.090 0.000 1.264 403 F CB -0.308 38.840 39.000 0.246 0.000 1.001 403 F HN 0.007 nan 8.300 nan 0.000 0.479 404 Q N -0.014 119.745 119.800 -0.069 0.000 2.050 404 Q HA -0.222 4.042 4.340 -0.127 0.000 0.202 404 Q C 2.034 177.920 176.000 -0.189 0.000 0.980 404 Q CA 1.674 57.358 55.803 -0.198 0.000 0.840 404 Q CB -0.383 28.300 28.738 -0.091 0.000 0.898 404 Q HN 0.368 nan 8.270 nan 0.000 0.424 405 N N 0.688 119.259 118.700 -0.214 0.000 2.061 405 N HA -0.203 4.461 4.740 -0.127 0.000 0.193 405 N C 1.670 177.129 175.510 -0.084 0.000 1.030 405 N CA 1.567 54.505 53.050 -0.187 0.000 0.856 405 N CB -0.522 37.816 38.487 -0.249 0.000 1.023 405 N HN 0.285 nan 8.380 nan 0.000 0.424 406 A N 1.160 123.955 122.820 -0.042 0.000 1.883 406 A HA -0.098 4.146 4.320 -0.127 0.000 0.217 406 A C 2.403 179.990 177.584 0.005 0.000 1.186 406 A CA 1.193 53.240 52.037 0.017 0.000 0.624 406 A CB -0.820 18.241 19.000 0.101 0.000 0.822 406 A HN 0.262 nan 8.150 nan 0.000 0.444 407 L N -0.864 120.318 121.223 -0.068 0.000 2.141 407 L HA -0.096 4.168 4.340 -0.127 0.000 0.209 407 L C 2.529 179.420 176.870 0.036 0.000 1.094 407 L CA 0.593 55.414 54.840 -0.032 0.000 0.763 407 L CB -0.500 41.426 42.059 -0.220 0.000 0.908 407 L HN 0.361 nan 8.230 nan 0.000 0.437 408 L N -0.564 120.639 121.223 -0.034 0.000 2.012 408 L HA -0.226 4.037 4.340 -0.127 0.000 0.210 408 L C 2.560 179.451 176.870 0.036 0.000 1.073 408 L CA 1.188 56.025 54.840 -0.005 0.000 0.748 408 L CB -0.231 41.805 42.059 -0.037 0.000 0.891 408 L HN 0.070 nan 8.230 nan 0.000 0.431 409 V N -0.501 119.428 119.914 0.024 0.000 2.295 409 V HA -0.322 3.722 4.120 -0.127 0.000 0.246 409 V C 2.578 178.693 176.094 0.034 0.000 1.049 409 V CA 1.870 64.188 62.300 0.030 0.000 1.024 409 V CB -0.641 31.199 31.823 0.029 0.000 0.648 409 V HN 0.426 nan 8.190 nan 0.000 0.447 410 R N -1.247 119.286 120.500 0.054 0.000 2.080 410 R HA -0.195 4.069 4.340 -0.127 0.000 0.236 410 R C 2.343 178.627 176.300 -0.026 0.000 1.137 410 R CA 2.176 58.297 56.100 0.035 0.000 0.943 410 R CB -0.374 29.984 30.300 0.097 0.000 0.846 410 R HN 0.531 nan 8.270 nan 0.000 0.431 411 Y N -0.109 120.166 120.300 -0.041 0.000 2.263 411 Y HA -0.105 4.374 4.550 -0.119 0.000 0.292 411 Y C 2.489 178.360 175.900 -0.048 0.000 1.130 411 Y CA 1.594 59.670 58.100 -0.040 0.000 1.179 411 Y CB -0.212 38.205 38.460 -0.071 0.000 0.998 411 Y HN 0.116 nan 8.280 nan 0.000 0.532 412 T N -0.171 114.420 114.554 0.062 0.000 2.720 412 T HA -0.197 4.077 4.350 -0.127 0.000 0.268 412 T C 1.776 176.420 174.700 -0.093 0.000 1.037 412 T CA 1.652 63.741 62.100 -0.018 0.000 1.144 412 T CB -0.158 68.703 68.868 -0.011 0.000 0.864 412 T HN 0.281 nan 8.240 nan 0.000 0.444 413 K N 0.434 120.790 120.400 -0.074 0.000 2.217 413 K HA 0.041 4.285 4.320 -0.127 0.000 0.202 413 K C 2.366 178.898 176.600 -0.114 0.000 1.051 413 K CA 0.705 56.939 56.287 -0.089 0.000 0.952 413 K CB -0.021 32.451 32.500 -0.047 0.000 0.736 413 K HN 0.083 nan 8.250 nan 0.000 0.453 414 K N 0.684 121.002 120.400 -0.137 0.000 2.002 414 K HA -0.093 4.151 4.320 -0.127 0.000 0.209 414 K C 0.807 177.336 176.600 -0.120 0.000 1.048 414 K CA 1.218 57.405 56.287 -0.167 0.000 0.930 414 K CB 0.395 32.702 32.500 -0.323 0.000 0.714 414 K HN 0.082 nan 8.250 nan 0.000 0.438 415 V N -2.458 117.400 119.914 -0.095 0.000 2.502 415 V HA 0.357 4.401 4.120 -0.127 0.000 0.261 415 V C -2.438 173.588 176.094 -0.114 0.000 0.996 415 V CA -1.220 61.041 62.300 -0.066 0.000 1.095 415 V CB 0.971 32.810 31.823 0.026 0.000 1.325 415 V HN 0.008 nan 8.190 nan 0.000 0.574 416 P HA -0.078 nan 4.420 nan 0.000 0.231 416 P C 0.886 177.972 177.300 -0.356 0.000 1.158 416 P CA 1.092 63.888 63.100 -0.506 0.000 0.763 416 P CB 0.403 31.352 31.700 -1.253 0.000 0.805 417 Q N -0.809 118.924 119.800 -0.112 0.000 2.398 417 Q HA 0.071 4.335 4.340 -0.127 0.000 0.204 417 Q C 0.811 176.858 176.000 0.078 0.000 0.932 417 Q CA 0.182 56.021 55.803 0.060 0.000 0.916 417 Q CB -0.463 28.349 28.738 0.124 0.000 1.024 417 Q HN 0.083 nan 8.270 nan 0.000 0.504 418 V N 1.751 121.703 119.914 0.063 0.000 2.740 418 V HA -0.015 4.029 4.120 -0.127 0.000 0.303 418 V C 0.584 176.716 176.094 0.063 0.000 1.054 418 V CA -0.239 62.125 62.300 0.107 0.000 1.106 418 V CB 1.168 33.049 31.823 0.096 0.000 0.957 418 V HN 0.330 nan 8.190 nan 0.000 0.486 419 S N 3.602 119.341 115.700 0.065 0.000 2.558 419 S HA -0.058 4.336 4.470 -0.127 0.000 0.293 419 S C 1.342 175.953 174.600 0.019 0.000 1.292 419 S CA 0.535 58.754 58.200 0.032 0.000 1.063 419 S CB 0.747 63.959 63.200 0.021 0.000 0.831 419 S HN 0.871 nan 8.310 nan 0.000 0.499 420 T N 6.073 120.632 114.554 0.010 0.000 2.746 420 T HA 0.009 4.283 4.350 -0.127 0.000 0.267 420 T C -0.991 173.708 174.700 -0.002 0.000 1.039 420 T CA 1.669 63.771 62.100 0.002 0.000 1.142 420 T CB -1.087 67.778 68.868 -0.005 0.000 0.866 420 T HN 0.645 nan 8.240 nan 0.000 0.444 421 P HA -0.028 nan 4.420 nan 0.000 0.217 421 P C 1.519 178.812 177.300 -0.012 0.000 1.150 421 P CA 1.160 64.256 63.100 -0.006 0.000 0.832 421 P CB -0.217 31.478 31.700 -0.007 0.000 0.787 422 T N -0.015 114.534 114.554 -0.010 0.000 2.668 422 T HA -0.087 4.187 4.350 -0.127 0.000 0.262 422 T C 1.802 176.481 174.700 -0.035 0.000 1.045 422 T CA 0.972 63.061 62.100 -0.018 0.000 1.152 422 T CB -1.108 67.762 68.868 0.004 0.000 0.864 422 T HN 0.017 nan 8.240 nan 0.000 0.419 423 L N 0.897 122.108 121.223 -0.021 0.000 2.085 423 L HA -0.209 4.054 4.340 -0.127 0.000 0.218 423 L C 2.621 179.459 176.870 -0.053 0.000 1.080 423 L CA 1.290 56.111 54.840 -0.031 0.000 0.776 423 L CB -0.746 41.311 42.059 -0.002 0.000 0.891 423 L HN 0.176 nan 8.230 nan 0.000 0.437 424 V N -0.700 119.193 119.914 -0.034 0.000 2.358 424 V HA -0.279 3.765 4.120 -0.127 0.000 0.246 424 V C 2.390 178.459 176.094 -0.042 0.000 1.047 424 V CA 1.977 64.260 62.300 -0.030 0.000 1.035 424 V CB -0.431 31.388 31.823 -0.007 0.000 0.658 424 V HN 0.487 nan 8.190 nan 0.000 0.452 425 E N -0.236 119.938 120.200 -0.043 0.000 2.204 425 E HA -0.150 4.124 4.350 -0.127 0.000 0.194 425 E C 2.114 178.662 176.600 -0.086 0.000 0.989 425 E CA 1.168 57.539 56.400 -0.047 0.000 0.824 425 E CB 0.176 29.852 29.700 -0.039 0.000 0.756 425 E HN 0.459 nan 8.360 nan 0.000 0.477 426 V N -0.081 119.757 119.914 -0.126 0.000 2.331 426 V HA -0.144 3.900 4.120 -0.127 0.000 0.242 426 V C 2.253 178.188 176.094 -0.266 0.000 1.034 426 V CA 1.539 63.714 62.300 -0.209 0.000 1.027 426 V CB -0.174 31.502 31.823 -0.245 0.000 0.667 426 V HN 0.184 nan 8.190 nan 0.000 0.457 427 S N -0.252 115.300 115.700 -0.248 0.000 2.382 427 S HA -0.178 4.215 4.470 -0.127 0.000 0.228 427 S C 2.084 176.560 174.600 -0.208 0.000 1.027 427 S CA 1.420 59.456 58.200 -0.273 0.000 0.991 427 S CB -0.285 62.806 63.200 -0.181 0.000 0.823 427 S HN 0.489 nan 8.310 nan 0.000 0.469 428 R N 1.339 121.765 120.500 -0.124 0.000 2.081 428 R HA 0.007 4.271 4.340 -0.127 0.000 0.235 428 R C 1.948 178.219 176.300 -0.049 0.000 1.131 428 R CA 1.351 57.413 56.100 -0.064 0.000 0.960 428 R CB -0.357 29.937 30.300 -0.009 0.000 0.856 428 R HN 0.337 nan 8.270 nan 0.000 0.436 429 N N 0.883 119.547 118.700 -0.061 0.000 2.142 429 N HA -0.093 4.570 4.740 -0.127 0.000 0.186 429 N C 1.941 177.453 175.510 0.003 0.000 1.023 429 N CA 0.938 53.988 53.050 0.000 0.000 0.852 429 N CB -0.253 38.208 38.487 -0.042 0.000 0.998 429 N HN 0.158 nan 8.380 nan 0.000 0.424 430 L N 0.418 121.540 121.223 -0.168 0.000 2.021 430 L HA -0.171 4.093 4.340 -0.127 0.000 0.215 430 L C 2.312 179.100 176.870 -0.138 0.000 1.074 430 L CA 1.668 56.386 54.840 -0.203 0.000 0.760 430 L CB -1.011 40.812 42.059 -0.392 0.000 0.889 430 L HN 0.252 nan 8.230 nan 0.000 0.433 431 G N -0.549 108.109 108.800 -0.238 0.000 2.509 431 G HA2 -0.200 3.684 3.960 -0.127 0.000 0.218 431 G HA3 -0.200 3.684 3.960 -0.127 0.000 0.218 431 G C 1.591 176.510 174.900 0.031 0.000 1.124 431 G CA 0.228 45.125 45.100 -0.338 0.000 0.776 431 G HN 0.345 nan 8.290 nan 0.000 0.547 432 K N 0.034 120.477 120.400 0.071 0.000 2.439 432 K HA 0.090 4.334 4.320 -0.127 0.000 0.197 432 K C 2.288 178.862 176.600 -0.043 0.000 1.041 432 K CA 0.184 56.503 56.287 0.054 0.000 0.970 432 K CB 0.014 32.547 32.500 0.055 0.000 0.773 432 K HN 0.198 nan 8.250 nan 0.000 0.479 433 V N 1.100 121.066 119.914 0.086 0.000 2.469 433 V HA -0.215 3.829 4.120 -0.127 0.000 0.251 433 V C 1.985 177.990 176.094 -0.148 0.000 1.064 433 V CA 2.354 64.671 62.300 0.029 0.000 1.066 433 V CB -0.543 31.420 31.823 0.234 0.000 0.667 433 V HN 0.476 nan 8.190 nan 0.000 0.461 434 G N -0.917 107.740 108.800 -0.238 0.000 2.433 434 G HA2 -0.224 3.660 3.960 -0.127 0.000 0.216 434 G HA3 -0.224 3.660 3.960 -0.127 0.000 0.216 434 G C 1.743 175.844 174.900 -1.332 0.000 1.186 434 G CA 1.058 45.477 45.100 -1.136 0.000 0.779 434 G HN 0.573 nan 8.290 nan 0.000 0.543 435 S N 0.022 115.202 115.700 -0.867 0.000 2.447 435 S HA 0.012 4.406 4.470 -0.127 0.000 0.233 435 S C 2.024 176.471 174.600 -0.256 0.000 1.006 435 S CA 1.042 59.045 58.200 -0.328 0.000 0.957 435 S CB -0.004 63.179 63.200 -0.029 0.000 0.773 435 S HN 0.408 nan 8.310 nan 0.000 0.507 436 K N 0.187 120.416 120.400 -0.284 0.000 2.098 436 K HA 0.032 4.276 4.320 -0.127 0.000 0.203 436 K C 1.593 178.066 176.600 -0.211 0.000 1.051 436 K CA 1.136 57.286 56.287 -0.228 0.000 0.957 436 K CB -0.029 32.284 32.500 -0.311 0.000 0.738 436 K HN 0.389 nan 8.250 nan 0.000 0.447 437 c N -0.874 117.595 118.600 -0.219 0.000 2.341 437 c HA 0.096 4.590 4.570 -0.127 0.000 0.372 437 c C 2.639 176.622 174.090 -0.179 0.000 1.430 437 c CA -0.398 55.880 56.329 -0.085 0.000 2.316 437 c CB -0.586 41.931 42.510 0.011 0.000 2.416 437 c HN 0.567 nan 8.230 nan 0.000 0.583 438 c N 1.477 119.961 118.600 -0.193 0.000 2.398 438 c HA -0.184 4.310 4.570 -0.127 0.000 0.279 438 c C 2.637 176.668 174.090 -0.098 0.000 1.250 438 c CA 1.623 57.886 56.329 -0.110 0.000 1.786 438 c CB -1.287 41.167 42.510 -0.092 0.000 2.018 438 c HN 0.684 nan 8.230 nan 0.000 0.494 439 K N 0.422 120.703 120.400 -0.197 0.000 2.097 439 K HA -0.179 4.065 4.320 -0.127 0.000 0.214 439 K C 0.967 177.455 176.600 -0.187 0.000 1.052 439 K CA 1.477 57.627 56.287 -0.229 0.000 0.932 439 K CB -0.387 31.877 32.500 -0.394 0.000 0.716 439 K HN 0.638 nan 8.250 nan 0.000 0.455 440 H N 0.472 119.538 119.070 -0.007 0.000 2.679 440 H HA 0.126 4.604 4.556 -0.130 0.000 0.369 440 H C -2.042 173.288 175.328 0.003 0.000 1.178 440 H CA -2.066 53.980 56.048 -0.003 0.000 1.419 440 H CB -0.304 29.452 29.762 -0.009 0.000 1.458 440 H HN 0.218 nan 8.280 nan 0.000 0.605 441 P HA 0.000 nan 4.420 nan 0.000 0.270 441 P C 0.297 177.643 177.300 0.077 0.000 1.223 441 P CA -0.180 62.968 63.100 0.081 0.000 0.785 441 P CB 0.965 32.699 31.700 0.056 0.000 0.923 442 E N 1.133 121.367 120.200 0.057 0.000 2.331 442 E HA -0.126 4.148 4.350 -0.127 0.000 0.199 442 E C 1.850 178.484 176.600 0.056 0.000 1.008 442 E CA 1.612 58.046 56.400 0.057 0.000 0.843 442 E CB -0.786 28.944 29.700 0.050 0.000 0.761 442 E HN 0.531 nan 8.360 nan 0.000 0.507 443 A N -0.215 122.631 122.820 0.043 0.000 2.251 443 A HA 0.037 4.281 4.320 -0.127 0.000 0.209 443 A C 1.772 179.362 177.584 0.010 0.000 1.187 443 A CA 0.572 52.627 52.037 0.030 0.000 0.823 443 A CB 0.061 19.067 19.000 0.010 0.000 0.846 443 A HN 0.050 nan 8.150 nan 0.000 0.486 444 K N -1.203 119.202 120.400 0.009 0.000 2.440 444 K HA 0.212 4.456 4.320 -0.127 0.000 0.207 444 K C 1.743 178.337 176.600 -0.010 0.000 1.112 444 K CA -0.182 56.078 56.287 -0.045 0.000 1.036 444 K CB 0.226 32.645 32.500 -0.135 0.000 0.935 444 K HN 0.339 nan 8.250 nan 0.000 0.564 445 R N 0.542 121.078 120.500 0.061 0.000 2.064 445 R HA -0.047 4.217 4.340 -0.127 0.000 0.228 445 R C 2.259 178.599 176.300 0.066 0.000 1.144 445 R CA 1.839 57.993 56.100 0.090 0.000 0.932 445 R CB -0.278 30.071 30.300 0.081 0.000 0.833 445 R HN 0.181 nan 8.270 nan 0.000 0.429 446 M N 0.694 120.330 119.600 0.061 0.000 2.089 446 M HA -0.152 4.251 4.480 -0.127 0.000 0.257 446 M C -0.977 175.352 176.300 0.048 0.000 1.071 446 M CA 2.090 57.423 55.300 0.054 0.000 1.096 446 M CB -0.941 31.695 32.600 0.060 0.000 1.330 446 M HN -0.014 nan 8.290 nan 0.000 0.403 447 P HA -0.107 nan 4.420 nan 0.000 0.215 447 P C 1.786 179.112 177.300 0.044 0.000 1.157 447 P CA 1.261 64.377 63.100 0.028 0.000 0.859 447 P CB -0.442 31.256 31.700 -0.004 0.000 0.786 448 c N -0.000 118.621 118.600 0.036 0.000 2.376 448 c HA -0.194 4.299 4.570 -0.127 0.000 0.275 448 c C 2.835 176.988 174.090 0.105 0.000 1.200 448 c CA 2.150 58.515 56.329 0.061 0.000 1.756 448 c CB -1.660 40.901 42.510 0.086 0.000 2.050 448 c HN 0.229 nan 8.230 nan 0.000 0.460 449 A N -0.517 122.363 122.820 0.100 0.000 1.855 449 A HA -0.111 4.132 4.320 -0.127 0.000 0.213 449 A C 2.130 179.793 177.584 0.132 0.000 1.195 449 A CA 1.701 53.812 52.037 0.123 0.000 0.610 449 A CB -0.963 18.091 19.000 0.090 0.000 0.837 449 A HN 0.798 nan 8.150 nan 0.000 0.444 450 E N -0.198 120.051 120.200 0.082 0.000 2.107 450 E HA -0.185 4.089 4.350 -0.127 0.000 0.191 450 E C 1.172 177.801 176.600 0.048 0.000 0.982 450 E CA 1.274 57.705 56.400 0.052 0.000 0.809 450 E CB -0.095 29.618 29.700 0.022 0.000 0.756 450 E HN 0.528 nan 8.360 nan 0.000 0.459 451 D N -0.343 120.102 120.400 0.075 0.000 2.183 451 D HA -0.156 4.408 4.640 -0.127 0.000 0.203 451 D C 1.590 177.941 176.300 0.086 0.000 0.969 451 D CA 0.732 54.782 54.000 0.084 0.000 0.842 451 D CB -0.192 40.678 40.800 0.117 0.000 0.957 451 D HN 0.298 nan 8.370 nan 0.000 0.484 452 Y N 1.834 122.137 120.300 0.005 0.000 2.163 452 Y HA -0.110 4.362 4.550 -0.130 0.000 0.288 452 Y C 2.197 178.073 175.900 -0.040 0.000 1.136 452 Y CA 1.126 59.218 58.100 -0.013 0.000 1.147 452 Y CB -0.452 38.004 38.460 -0.006 0.000 0.987 452 Y HN -0.136 nan 8.280 nan 0.000 0.509 453 L N -0.927 120.209 121.223 -0.146 0.000 2.191 453 L HA -0.220 4.044 4.340 -0.127 0.000 0.212 453 L C 2.508 179.240 176.870 -0.230 0.000 1.103 453 L CA 1.311 56.012 54.840 -0.231 0.000 0.769 453 L CB -0.709 41.312 42.059 -0.064 0.000 0.908 453 L HN 0.145 nan 8.230 nan 0.000 0.438 454 S N -0.466 115.146 115.700 -0.148 0.000 2.368 454 S HA -0.142 4.252 4.470 -0.127 0.000 0.225 454 S C 2.034 176.523 174.600 -0.187 0.000 1.030 454 S CA 1.138 59.261 58.200 -0.130 0.000 0.999 454 S CB -0.097 63.062 63.200 -0.069 0.000 0.844 454 S HN 0.165 nan 8.310 nan 0.000 0.459 455 V N 1.297 121.071 119.914 -0.234 0.000 2.270 455 V HA -0.125 3.919 4.120 -0.127 0.000 0.245 455 V C 2.313 178.223 176.094 -0.306 0.000 1.043 455 V CA 1.499 63.651 62.300 -0.247 0.000 1.014 455 V CB -0.700 30.993 31.823 -0.216 0.000 0.645 455 V HN 0.337 nan 8.190 nan 0.000 0.447 456 V N -0.125 119.511 119.914 -0.464 0.000 2.332 456 V HA -0.279 3.765 4.120 -0.127 0.000 0.248 456 V C 2.329 178.211 176.094 -0.353 0.000 1.055 456 V CA 1.983 64.025 62.300 -0.430 0.000 1.038 456 V CB -0.654 30.834 31.823 -0.557 0.000 0.651 456 V HN 0.429 nan 8.190 nan 0.000 0.450 457 L N 0.258 121.268 121.223 -0.356 0.000 2.012 457 L HA -0.230 4.033 4.340 -0.127 0.000 0.210 457 L C 2.514 179.232 176.870 -0.254 0.000 1.073 457 L CA 2.202 56.820 54.840 -0.369 0.000 0.748 457 L CB -0.855 41.001 42.059 -0.338 0.000 0.891 457 L HN 0.435 nan 8.230 nan 0.000 0.431 458 N N 0.120 118.710 118.700 -0.184 0.000 2.091 458 N HA -0.314 4.350 4.740 -0.127 0.000 0.193 458 N C 1.876 177.308 175.510 -0.129 0.000 1.021 458 N CA 1.837 54.812 53.050 -0.124 0.000 0.862 458 N CB -0.132 38.278 38.487 -0.128 0.000 1.018 458 N HN 0.348 nan 8.380 nan 0.000 0.429 459 Q N -0.537 119.166 119.800 -0.162 0.000 2.096 459 Q HA -0.178 4.086 4.340 -0.127 0.000 0.204 459 Q C 2.035 177.964 176.000 -0.119 0.000 0.982 459 Q CA 1.455 57.175 55.803 -0.139 0.000 0.850 459 Q CB -0.273 28.376 28.738 -0.148 0.000 0.901 459 Q HN 0.476 nan 8.270 nan 0.000 0.422 460 L N 0.405 121.531 121.223 -0.162 0.000 2.083 460 L HA -0.170 4.094 4.340 -0.127 0.000 0.209 460 L C 2.177 179.027 176.870 -0.033 0.000 1.083 460 L CA 1.671 56.431 54.840 -0.134 0.000 0.752 460 L CB -0.719 41.178 42.059 -0.271 0.000 0.899 460 L HN 0.423 nan 8.230 nan 0.000 0.433 461 c N -1.415 117.169 118.600 -0.026 0.000 2.436 461 c HA -0.136 4.358 4.570 -0.127 0.000 0.277 461 c C 2.823 176.949 174.090 0.059 0.000 1.241 461 c CA 1.039 57.404 56.329 0.059 0.000 1.721 461 c CB -1.101 41.449 42.510 0.066 0.000 2.043 461 c HN 0.615 nan 8.230 nan 0.000 0.472 462 V N -0.121 119.790 119.914 -0.006 0.000 2.427 462 V HA -0.116 3.928 4.120 -0.127 0.000 0.248 462 V C 2.089 178.179 176.094 -0.008 0.000 1.051 462 V CA 1.842 64.125 62.300 -0.029 0.000 1.048 462 V CB -1.051 30.712 31.823 -0.099 0.000 0.666 462 V HN 0.569 nan 8.190 nan 0.000 0.456 463 L N 0.041 121.264 121.223 -0.000 0.000 2.056 463 L HA -0.120 4.144 4.340 -0.127 0.000 0.207 463 L C 2.795 179.688 176.870 0.039 0.000 1.078 463 L CA 2.341 57.185 54.840 0.007 0.000 0.749 463 L CB -0.942 41.115 42.059 -0.004 0.000 0.901 463 L HN 0.446 nan 8.230 nan 0.000 0.433 464 H N 0.066 119.127 119.070 -0.015 0.000 2.357 464 H HA -0.191 4.286 4.556 -0.130 0.000 0.301 464 H C 2.234 177.561 175.328 -0.001 0.000 1.082 464 H CA 1.780 57.830 56.048 0.002 0.000 1.342 464 H CB 0.180 29.959 29.762 0.029 0.000 1.389 464 H HN 0.281 nan 8.280 nan 0.000 0.511 465 E N 0.491 120.725 120.200 0.058 0.000 2.160 465 E HA -0.261 4.013 4.350 -0.127 0.000 0.195 465 E C 2.112 178.669 176.600 -0.072 0.000 0.991 465 E CA 1.116 57.514 56.400 -0.003 0.000 0.810 465 E CB -0.025 29.688 29.700 0.021 0.000 0.742 465 E HN 0.457 nan 8.360 nan 0.000 0.466 466 K N -0.046 120.313 120.400 -0.067 0.000 1.988 466 K HA -0.144 4.100 4.320 -0.127 0.000 0.221 466 K C 0.527 177.066 176.600 -0.102 0.000 1.053 466 K CA 1.906 58.151 56.287 -0.072 0.000 0.959 466 K CB -0.183 32.286 32.500 -0.052 0.000 0.728 466 K HN 0.174 nan 8.250 nan 0.000 0.447 467 T N 0.509 114.977 114.554 -0.143 0.000 2.977 467 T HA 0.414 4.688 4.350 -0.127 0.000 0.346 467 T C -2.787 171.728 174.700 -0.309 0.000 1.140 467 T CA -2.208 59.794 62.100 -0.164 0.000 1.040 467 T CB 1.609 70.412 68.868 -0.108 0.000 1.046 467 T HN -0.070 nan 8.240 nan 0.000 0.494 468 P HA 0.211 nan 4.420 nan 0.000 0.267 468 P C 0.827 177.983 177.300 -0.240 0.000 1.205 468 P CA -0.385 62.435 63.100 -0.467 0.000 0.765 468 P CB 0.885 32.490 31.700 -0.159 0.000 0.828 469 V N -0.073 119.746 119.914 -0.158 0.000 3.392 469 V HA 0.274 4.318 4.120 -0.127 0.000 0.285 469 V C 0.285 176.490 176.094 0.184 0.000 1.582 469 V CA 0.032 62.365 62.300 0.053 0.000 1.034 469 V CB 0.331 32.179 31.823 0.041 0.000 0.846 469 V HN 0.500 nan 8.190 nan 0.000 0.431 470 S N 0.629 116.541 115.700 0.353 0.000 2.707 470 S HA 0.424 4.818 4.470 -0.127 0.000 0.303 470 S C 0.166 174.842 174.600 0.126 0.000 1.132 470 S CA -0.328 57.990 58.200 0.196 0.000 1.046 470 S CB 1.697 64.964 63.200 0.112 0.000 1.004 470 S HN 0.249 nan 8.310 nan 0.000 0.483 471 D N 3.905 124.342 120.400 0.061 0.000 2.178 471 D HA -0.036 4.528 4.640 -0.127 0.000 0.202 471 D C 1.752 178.034 176.300 -0.030 0.000 0.974 471 D CA 1.092 55.109 54.000 0.028 0.000 0.841 471 D CB 0.109 40.917 40.800 0.013 0.000 0.953 471 D HN 0.609 nan 8.370 nan 0.000 0.478 472 R N 0.235 120.691 120.500 -0.072 0.000 2.115 472 R HA -0.007 4.257 4.340 -0.127 0.000 0.226 472 R C 2.388 178.540 176.300 -0.247 0.000 1.100 472 R CA 0.332 56.339 56.100 -0.156 0.000 0.980 472 R CB -0.137 30.067 30.300 -0.161 0.000 0.875 472 R HN 0.042 nan 8.270 nan 0.000 0.445 473 V N 0.640 120.422 119.914 -0.220 0.000 2.358 473 V HA -0.229 3.815 4.120 -0.127 0.000 0.246 473 V C 2.026 178.041 176.094 -0.132 0.000 1.047 473 V CA 2.166 64.333 62.300 -0.223 0.000 1.035 473 V CB -0.485 30.998 31.823 -0.566 0.000 0.658 473 V HN 0.406 nan 8.190 nan 0.000 0.452 474 T N -0.197 114.316 114.554 -0.068 0.000 2.708 474 T HA -0.263 4.011 4.350 -0.127 0.000 0.266 474 T C 1.909 176.606 174.700 -0.007 0.000 1.037 474 T CA 1.986 64.109 62.100 0.039 0.000 1.146 474 T CB -0.177 68.740 68.868 0.082 0.000 0.865 474 T HN 0.486 nan 8.240 nan 0.000 0.435 475 K N 0.343 120.708 120.400 -0.058 0.000 1.984 475 K HA -0.085 4.159 4.320 -0.127 0.000 0.209 475 K C 2.514 179.057 176.600 -0.095 0.000 1.046 475 K CA 1.463 57.709 56.287 -0.068 0.000 0.934 475 K CB -0.621 31.825 32.500 -0.089 0.000 0.717 475 K HN 0.263 nan 8.250 nan 0.000 0.438 476 c N 0.605 119.070 118.600 -0.224 0.000 2.403 476 c HA -0.145 4.349 4.570 -0.127 0.000 0.282 476 c C 2.761 176.822 174.090 -0.049 0.000 1.297 476 c CA 0.712 56.857 56.329 -0.307 0.000 1.785 476 c CB -0.995 40.926 42.510 -0.982 0.000 1.963 476 c HN 0.678 nan 8.230 nan 0.000 0.507 477 c N -1.042 117.584 118.600 0.044 0.000 2.533 477 c HA 0.020 4.514 4.570 -0.127 0.000 0.272 477 c C 2.565 176.766 174.090 0.185 0.000 1.371 477 c CA 1.004 57.436 56.329 0.171 0.000 1.758 477 c CB -1.190 41.426 42.510 0.176 0.000 1.972 477 c HN 0.678 nan 8.230 nan 0.000 0.522 478 T N -0.155 114.468 114.554 0.114 0.000 3.057 478 T HA -0.027 4.247 4.350 -0.127 0.000 0.254 478 T C 1.504 176.305 174.700 0.169 0.000 1.094 478 T CA 0.669 62.829 62.100 0.100 0.000 1.088 478 T CB 0.229 69.114 68.868 0.029 0.000 0.934 478 T HN 0.586 nan 8.240 nan 0.000 0.497 479 E N 1.440 121.729 120.200 0.148 0.000 2.012 479 E HA 0.062 4.336 4.350 -0.127 0.000 0.192 479 E C 0.716 177.425 176.600 0.181 0.000 0.977 479 E CA 0.506 56.977 56.400 0.119 0.000 0.832 479 E CB 0.270 29.994 29.700 0.040 0.000 0.790 479 E HN 0.248 nan 8.360 nan 0.000 0.466 480 S N -0.163 115.597 115.700 0.100 0.000 2.779 480 S HA 0.135 4.529 4.470 -0.127 0.000 0.293 480 S C 0.466 174.956 174.600 -0.183 0.000 1.150 480 S CA -0.674 57.517 58.200 -0.015 0.000 1.057 480 S CB 1.235 64.418 63.200 -0.028 0.000 1.021 480 S HN 0.329 nan 8.310 nan 0.000 0.485 481 L N 6.284 127.124 121.223 -0.639 0.000 2.010 481 L HA -0.095 4.169 4.340 -0.127 0.000 0.219 481 L C 2.010 178.690 176.870 -0.318 0.000 1.077 481 L CA 2.395 56.790 54.840 -0.741 0.000 0.773 481 L CB -0.867 40.399 42.059 -1.321 0.000 0.892 481 L HN 0.646 nan 8.230 nan 0.000 0.436 482 V N -0.352 119.405 119.914 -0.262 0.000 2.515 482 V HA -0.253 3.791 4.120 -0.127 0.000 0.250 482 V C 1.774 177.816 176.094 -0.086 0.000 1.058 482 V CA 2.122 64.340 62.300 -0.137 0.000 1.064 482 V CB -0.855 30.902 31.823 -0.111 0.000 0.675 482 V HN 0.581 nan 8.190 nan 0.000 0.461 483 N N -0.782 117.873 118.700 -0.075 0.000 2.276 483 N HA 0.100 4.764 4.740 -0.127 0.000 0.212 483 N C 1.640 177.148 175.510 -0.003 0.000 1.127 483 N CA -0.266 52.761 53.050 -0.038 0.000 0.834 483 N CB 0.135 38.601 38.487 -0.035 0.000 1.014 483 N HN 0.386 nan 8.380 nan 0.000 0.491 484 R N 0.621 121.130 120.500 0.015 0.000 2.081 484 R HA -0.052 4.212 4.340 -0.127 0.000 0.235 484 R C 2.220 178.636 176.300 0.193 0.000 1.131 484 R CA 1.000 57.169 56.100 0.115 0.000 0.960 484 R CB -0.039 30.336 30.300 0.125 0.000 0.856 484 R HN 0.223 nan 8.270 nan 0.000 0.436 485 R N 0.640 121.203 120.500 0.105 0.000 2.057 485 R HA -0.053 4.211 4.340 -0.127 0.000 0.229 485 R C -0.820 175.543 176.300 0.105 0.000 1.136 485 R CA 1.088 57.255 56.100 0.113 0.000 0.952 485 R CB -1.007 29.319 30.300 0.044 0.000 0.848 485 R HN 0.096 nan 8.270 nan 0.000 0.430 486 P HA -0.172 nan 4.420 nan 0.000 0.216 486 P C 1.563 178.873 177.300 0.017 0.000 1.150 486 P CA 1.046 64.160 63.100 0.023 0.000 0.843 486 P CB -0.258 31.439 31.700 -0.006 0.000 0.787 487 c N -1.916 116.691 118.600 0.013 0.000 2.442 487 c HA -0.158 4.335 4.570 -0.127 0.000 0.279 487 c C 2.469 176.497 174.090 -0.103 0.000 1.237 487 c CA 0.771 57.059 56.329 -0.069 0.000 1.722 487 c CB -1.994 40.446 42.510 -0.117 0.000 2.056 487 c HN 0.069 nan 8.230 nan 0.000 0.469 488 F N 1.321 121.255 119.950 -0.028 0.000 2.134 488 F HA -0.102 4.355 4.527 -0.116 0.000 0.299 488 F C 2.812 178.557 175.800 -0.091 0.000 1.097 488 F CA 2.031 60.004 58.000 -0.045 0.000 1.264 488 F CB -0.746 38.286 39.000 0.052 0.000 1.001 488 F HN 0.144 nan 8.300 nan 0.000 0.479 489 S N -0.204 115.583 115.700 0.145 0.000 2.387 489 S HA -0.242 4.151 4.470 -0.127 0.000 0.230 489 S C 2.254 176.852 174.600 -0.004 0.000 1.035 489 S CA 1.128 59.363 58.200 0.058 0.000 1.014 489 S CB -0.637 62.603 63.200 0.067 0.000 0.836 489 S HN 0.392 nan 8.310 nan 0.000 0.466 490 A N 0.767 123.575 122.820 -0.020 0.000 2.014 490 A HA 0.217 4.461 4.320 -0.127 0.000 0.218 490 A C 0.857 178.401 177.584 -0.067 0.000 1.163 490 A CA 0.356 52.368 52.037 -0.042 0.000 0.652 490 A CB -0.429 18.543 19.000 -0.047 0.000 0.808 490 A HN 0.422 nan 8.150 nan 0.000 0.449 491 L N 0.833 121.997 121.223 -0.098 0.000 2.514 491 L HA 0.097 4.361 4.340 -0.127 0.000 0.280 491 L C 0.523 177.331 176.870 -0.104 0.000 1.223 491 L CA 0.251 55.019 54.840 -0.120 0.000 0.864 491 L CB 0.229 42.189 42.059 -0.165 0.000 1.118 491 L HN 0.426 nan 8.230 nan 0.000 0.494 492 E N 0.866 121.014 120.200 -0.086 0.000 2.447 492 E HA 0.339 4.613 4.350 -0.127 0.000 0.251 492 E C -1.084 175.476 176.600 -0.067 0.000 0.910 492 E CA -1.176 55.183 56.400 -0.069 0.000 0.841 492 E CB 1.920 31.594 29.700 -0.044 0.000 1.403 492 E HN 0.280 nan 8.360 nan 0.000 0.400 493 V N 1.984 121.870 119.914 -0.046 0.000 2.644 493 V HA -0.086 3.958 4.120 -0.127 0.000 0.305 493 V C -0.396 175.685 176.094 -0.022 0.000 1.053 493 V CA 0.706 62.986 62.300 -0.033 0.000 1.186 493 V CB 0.430 32.247 31.823 -0.010 0.000 0.895 493 V HN 0.543 nan 8.190 nan 0.000 0.490 494 D N 5.512 125.899 120.400 -0.022 0.000 2.317 494 D HA 0.164 4.728 4.640 -0.127 0.000 0.252 494 D C 0.672 177.007 176.300 0.058 0.000 1.174 494 D CA -0.167 53.836 54.000 0.006 0.000 0.866 494 D CB 1.459 42.255 40.800 -0.006 0.000 1.127 494 D HN 0.682 nan 8.370 nan 0.000 0.467 495 E N 1.893 122.123 120.200 0.050 0.000 2.364 495 E HA -0.023 4.251 4.350 -0.127 0.000 0.196 495 E C 1.670 178.308 176.600 0.063 0.000 0.990 495 E CA 0.429 56.864 56.400 0.057 0.000 0.886 495 E CB 0.064 29.782 29.700 0.030 0.000 0.866 495 E HN 0.556 nan 8.360 nan 0.000 0.493 496 T N 0.286 114.879 114.554 0.065 0.000 2.788 496 T HA -0.184 4.090 4.350 -0.127 0.000 0.268 496 T C 1.007 175.752 174.700 0.076 0.000 1.044 496 T CA 0.565 62.698 62.100 0.055 0.000 1.139 496 T CB -0.575 68.324 68.868 0.051 0.000 0.867 496 T HN 0.148 nan 8.240 nan 0.000 0.454 497 Y N 3.220 123.515 120.300 -0.007 0.000 2.632 497 Y HA 0.324 4.799 4.550 -0.125 0.000 0.329 497 Y C -0.006 175.889 175.900 -0.009 0.000 1.174 497 Y CA -1.144 56.952 58.100 -0.007 0.000 1.469 497 Y CB 0.433 38.892 38.460 -0.002 0.000 1.242 497 Y HN 0.024 nan 8.280 nan 0.000 0.540 498 V N 9.343 128.909 119.914 -0.580 0.000 2.398 498 V HA 0.572 4.615 4.120 -0.127 0.000 0.286 498 V C -2.454 173.185 176.094 -0.759 0.000 1.026 498 V CA -2.402 59.619 62.300 -0.465 0.000 0.868 498 V CB 0.896 32.572 31.823 -0.246 0.000 0.982 498 V HN 0.802 nan 8.190 nan 0.000 0.443 499 P HA 0.190 nan 4.420 nan 0.000 0.270 499 P C -0.834 176.261 177.300 -0.341 0.000 1.223 499 P CA -0.113 62.802 63.100 -0.309 0.000 0.785 499 P CB 0.342 32.017 31.700 -0.042 0.000 0.923 500 K N 2.123 122.317 120.400 -0.344 0.000 2.322 500 K HA 0.115 4.359 4.320 -0.127 0.000 0.283 500 K C 0.327 176.470 176.600 -0.762 0.000 1.042 500 K CA -0.235 55.719 56.287 -0.554 0.000 0.958 500 K CB 0.465 32.567 32.500 -0.664 0.000 0.984 500 K HN 0.442 nan 8.250 nan 0.000 0.473 501 E N 2.684 122.633 120.200 -0.418 0.000 2.392 501 E HA 0.015 4.289 4.350 -0.127 0.000 0.264 501 E C -0.009 176.455 176.600 -0.227 0.000 1.024 501 E CA 0.216 56.491 56.400 -0.209 0.000 0.903 501 E CB 0.381 30.050 29.700 -0.052 0.000 0.963 501 E HN 0.233 nan 8.360 nan 0.000 0.432 502 F N 2.279 122.272 119.950 0.072 0.000 2.485 502 F HA 0.051 4.502 4.527 -0.126 0.000 0.327 502 F C 1.509 177.382 175.800 0.122 0.000 1.203 502 F CA 0.335 58.489 58.000 0.256 0.000 1.295 502 F CB 0.372 39.557 39.000 0.308 0.000 1.191 502 F HN 0.435 nan 8.300 nan 0.000 0.588 503 N N -0.572 118.320 118.700 0.321 0.000 3.020 503 N HA 0.492 5.156 4.740 -0.127 0.000 0.248 503 N C -1.702 173.901 175.510 0.154 0.000 1.480 503 N CA -0.938 52.220 53.050 0.180 0.000 0.874 503 N CB 1.684 40.227 38.487 0.092 0.000 1.433 503 N HN 0.583 nan 8.380 nan 0.000 0.530 504 A N 0.027 122.906 122.820 0.099 0.000 3.077 504 A HA 0.294 4.538 4.320 -0.127 0.000 0.255 504 A C 0.505 178.119 177.584 0.050 0.000 1.728 504 A CA 0.340 52.422 52.037 0.076 0.000 1.383 504 A CB -0.988 18.046 19.000 0.056 0.000 1.097 504 A HN 0.812 nan 8.150 nan 0.000 0.634 505 E N -1.309 118.915 120.200 0.039 0.000 2.186 505 E HA -0.096 4.178 4.350 -0.127 0.000 0.244 505 E C 1.553 178.124 176.600 -0.048 0.000 1.089 505 E CA 1.156 57.560 56.400 0.007 0.000 1.667 505 E CB -0.504 29.202 29.700 0.011 0.000 3.574 505 E HN 0.418 nan 8.360 nan 0.000 1.014 506 T N -1.047 113.444 114.554 -0.105 0.000 3.052 506 T HA -0.030 4.243 4.350 -0.127 0.000 0.270 506 T C 1.234 175.584 174.700 -0.584 0.000 1.147 506 T CA 1.495 63.394 62.100 -0.335 0.000 1.089 506 T CB -0.279 68.324 68.868 -0.441 0.000 0.875 506 T HN 0.224 nan 8.240 nan 0.000 0.541 507 F N 0.210 120.099 119.950 -0.101 0.000 2.897 507 F HA 0.169 4.620 4.527 -0.127 0.000 0.377 507 F C 0.936 176.325 175.800 -0.686 0.000 0.917 507 F CA -0.574 57.229 58.000 -0.328 0.000 1.079 507 F CB 0.519 39.405 39.000 -0.190 0.000 1.068 507 F HN 0.034 nan 8.300 nan 0.000 0.581 508 T N 1.755 116.191 114.554 -0.197 0.000 4.475 508 T HA 0.199 4.473 4.350 -0.127 0.000 0.254 508 T C -0.072 174.441 174.700 -0.311 0.000 1.160 508 T CA -0.286 61.675 62.100 -0.231 0.000 1.091 508 T CB -1.758 67.067 68.868 -0.072 0.000 1.377 508 T HN 0.042 nan 8.240 nan 0.000 1.057 509 F N -0.054 119.856 119.950 -0.067 0.000 2.368 509 F HA 0.563 5.013 4.527 -0.127 0.000 0.308 509 F C 0.929 176.387 175.800 -0.570 0.000 1.198 509 F CA -1.734 56.084 58.000 -0.303 0.000 1.130 509 F CB 0.102 39.036 39.000 -0.109 0.000 1.300 509 F HN 0.243 nan 8.300 nan 0.000 0.537 510 H N -0.609 118.397 119.070 -0.106 0.000 3.330 510 H HA 0.610 5.089 4.556 -0.127 0.000 0.229 510 H C 0.659 175.490 175.328 -0.828 0.000 1.635 510 H CA -0.197 55.650 56.048 -0.336 0.000 1.676 510 H CB 0.799 30.492 29.762 -0.115 0.000 1.440 510 H HN 0.635 nan 8.280 nan 0.000 0.967 511 A N 0.452 123.125 122.820 -0.246 0.000 2.132 511 A HA -0.101 4.143 4.320 -0.127 0.000 0.213 511 A C 1.557 179.098 177.584 -0.072 0.000 1.154 511 A CA 0.868 52.827 52.037 -0.129 0.000 0.753 511 A CB -0.399 18.688 19.000 0.144 0.000 0.826 511 A HN 0.717 nan 8.150 nan 0.000 0.469 512 D N 0.674 121.028 120.400 -0.078 0.000 2.265 512 D HA -0.216 4.348 4.640 -0.127 0.000 0.208 512 D C 1.588 177.842 176.300 -0.077 0.000 0.977 512 D CA 1.022 54.989 54.000 -0.055 0.000 0.871 512 D CB -0.693 40.078 40.800 -0.049 0.000 0.925 512 D HN 0.508 nan 8.370 nan 0.000 0.485 513 I N 0.433 120.913 120.570 -0.150 0.000 2.151 513 I HA -0.369 3.725 4.170 -0.127 0.000 0.243 513 I C 1.799 177.875 176.117 -0.069 0.000 1.080 513 I CA 1.479 62.682 61.300 -0.160 0.000 1.339 513 I CB -0.056 37.766 38.000 -0.296 0.000 1.039 513 I HN 0.097 nan 8.210 nan 0.000 0.409 514 c N 0.504 119.101 118.600 -0.004 0.000 2.413 514 c HA -0.180 4.314 4.570 -0.127 0.000 0.276 514 c C 2.840 176.931 174.090 0.001 0.000 1.248 514 c CA 1.566 57.911 56.329 0.026 0.000 1.742 514 c CB -1.935 40.618 42.510 0.072 0.000 2.017 514 c HN 0.683 nan 8.230 nan 0.000 0.481 515 T N -0.688 113.865 114.554 -0.002 0.000 3.072 515 T HA 0.117 4.391 4.350 -0.127 0.000 0.266 515 T C 0.551 175.242 174.700 -0.015 0.000 1.127 515 T CA 0.385 62.482 62.100 -0.005 0.000 1.107 515 T CB -0.520 68.347 68.868 -0.002 0.000 0.910 515 T HN 0.434 nan 8.240 nan 0.000 0.513 516 L N 2.870 124.076 121.223 -0.028 0.000 2.473 516 L HA 0.261 4.524 4.340 -0.127 0.000 0.268 516 L C 0.958 177.810 176.870 -0.029 0.000 1.215 516 L CA -0.669 54.152 54.840 -0.032 0.000 0.823 516 L CB 0.364 42.392 42.059 -0.051 0.000 1.099 516 L HN 0.329 nan 8.230 nan 0.000 0.483 517 S N -0.174 115.511 115.700 -0.024 0.000 2.584 517 S HA 0.096 4.489 4.470 -0.127 0.000 0.273 517 S C 0.794 175.374 174.600 -0.034 0.000 1.311 517 S CA -0.668 57.519 58.200 -0.023 0.000 1.034 517 S CB 1.666 64.859 63.200 -0.012 0.000 0.939 517 S HN 0.683 nan 8.310 nan 0.000 0.513 518 E N 2.353 122.528 120.200 -0.041 0.000 2.217 518 E HA -0.328 3.946 4.350 -0.127 0.000 0.219 518 E C 1.461 178.020 176.600 -0.070 0.000 1.070 518 E CA 2.532 58.894 56.400 -0.064 0.000 0.889 518 E CB -0.424 29.238 29.700 -0.063 0.000 0.768 518 E HN 0.816 nan 8.360 nan 0.000 0.465 519 K N -0.026 120.350 120.400 -0.041 0.000 1.984 519 K HA -0.098 4.145 4.320 -0.127 0.000 0.209 519 K C 2.355 178.947 176.600 -0.013 0.000 1.046 519 K CA 1.702 57.975 56.287 -0.022 0.000 0.934 519 K CB -0.204 32.297 32.500 0.000 0.000 0.717 519 K HN 0.199 nan 8.250 nan 0.000 0.438 520 E N 0.298 120.488 120.200 -0.015 0.000 2.204 520 E HA -0.199 4.075 4.350 -0.127 0.000 0.195 520 E C 2.038 178.617 176.600 -0.034 0.000 0.990 520 E CA 0.888 57.278 56.400 -0.017 0.000 0.821 520 E CB 0.002 29.690 29.700 -0.021 0.000 0.750 520 E HN 0.185 nan 8.360 nan 0.000 0.477 521 R N 0.914 121.384 120.500 -0.050 0.000 2.148 521 R HA -0.141 4.123 4.340 -0.127 0.000 0.227 521 R C 1.999 178.273 176.300 -0.044 0.000 1.103 521 R CA 1.256 57.315 56.100 -0.068 0.000 0.983 521 R CB 0.119 30.374 30.300 -0.074 0.000 0.874 521 R HN 0.172 nan 8.270 nan 0.000 0.451 522 Q N 0.158 119.936 119.800 -0.037 0.000 2.049 522 Q HA -0.089 4.175 4.340 -0.127 0.000 0.198 522 Q C 2.164 178.250 176.000 0.143 0.000 0.971 522 Q CA 1.701 57.530 55.803 0.043 0.000 0.833 522 Q CB -0.033 28.695 28.738 -0.015 0.000 0.896 522 Q HN 0.395 nan 8.270 nan 0.000 0.434 523 I N 0.831 121.449 120.570 0.080 0.000 2.208 523 I HA -0.300 3.794 4.170 -0.127 0.000 0.245 523 I C 2.345 178.493 176.117 0.051 0.000 1.097 523 I CA 1.185 62.526 61.300 0.069 0.000 1.363 523 I CB -0.275 37.748 38.000 0.038 0.000 1.051 523 I HN 0.172 nan 8.210 nan 0.000 0.413 524 K N 0.949 121.359 120.400 0.018 0.000 2.057 524 K HA -0.186 4.057 4.320 -0.127 0.000 0.207 524 K C 2.146 178.765 176.600 0.033 0.000 1.049 524 K CA 1.376 57.662 56.287 -0.000 0.000 0.931 524 K CB -0.086 32.352 32.500 -0.104 0.000 0.714 524 K HN 0.292 nan 8.250 nan 0.000 0.440 525 K N 0.709 121.137 120.400 0.047 0.000 2.097 525 K HA -0.173 4.071 4.320 -0.127 0.000 0.206 525 K C 2.189 178.854 176.600 0.108 0.000 1.049 525 K CA 1.308 57.651 56.287 0.093 0.000 0.933 525 K CB 0.002 32.605 32.500 0.170 0.000 0.717 525 K HN 0.226 nan 8.250 nan 0.000 0.442 526 Q N -0.289 119.580 119.800 0.114 0.000 2.172 526 Q HA -0.085 4.179 4.340 -0.127 0.000 0.200 526 Q C 1.889 177.923 176.000 0.056 0.000 0.964 526 Q CA 1.550 57.395 55.803 0.071 0.000 0.855 526 Q CB 0.104 28.883 28.738 0.069 0.000 0.918 526 Q HN 0.329 nan 8.270 nan 0.000 0.444 527 T N 0.584 115.175 114.554 0.062 0.000 2.777 527 T HA -0.101 4.173 4.350 -0.127 0.000 0.266 527 T C 1.934 176.683 174.700 0.082 0.000 1.040 527 T CA 1.125 63.258 62.100 0.054 0.000 1.141 527 T CB -0.219 68.680 68.868 0.051 0.000 0.868 527 T HN 0.334 nan 8.240 nan 0.000 0.444 528 A N 1.347 124.248 122.820 0.135 0.000 1.969 528 A HA 0.080 4.324 4.320 -0.127 0.000 0.218 528 A C 2.213 179.919 177.584 0.204 0.000 1.169 528 A CA 0.945 53.139 52.037 0.262 0.000 0.635 528 A CB -0.733 18.300 19.000 0.056 0.000 0.810 528 A HN 0.391 nan 8.150 nan 0.000 0.445 529 L N -0.168 121.128 121.223 0.121 0.000 2.191 529 L HA -0.073 4.191 4.340 -0.127 0.000 0.212 529 L C 2.224 179.147 176.870 0.089 0.000 1.103 529 L CA 1.575 56.482 54.840 0.111 0.000 0.769 529 L CB -0.325 41.777 42.059 0.071 0.000 0.908 529 L HN 0.143 nan 8.230 nan 0.000 0.438 530 V N -0.623 119.331 119.914 0.066 0.000 2.379 530 V HA -0.145 3.899 4.120 -0.127 0.000 0.245 530 V C 2.555 178.670 176.094 0.034 0.000 1.044 530 V CA 1.457 63.781 62.300 0.039 0.000 1.036 530 V CB -0.530 31.305 31.823 0.020 0.000 0.664 530 V HN 0.411 nan 8.190 nan 0.000 0.453 531 E N 0.196 120.408 120.200 0.020 0.000 2.072 531 E HA -0.115 4.159 4.350 -0.127 0.000 0.191 531 E C 2.267 178.755 176.600 -0.188 0.000 0.985 531 E CA 0.951 57.272 56.400 -0.133 0.000 0.801 531 E CB -0.304 29.237 29.700 -0.265 0.000 0.750 531 E HN 0.481 nan 8.360 nan 0.000 0.452 532 L N 0.619 121.895 121.223 0.087 0.000 2.079 532 L HA -0.181 4.083 4.340 -0.127 0.000 0.210 532 L C 2.480 179.433 176.870 0.138 0.000 1.081 532 L CA 0.856 55.788 54.840 0.154 0.000 0.752 532 L CB -0.422 41.772 42.059 0.225 0.000 0.896 532 L HN 0.014 nan 8.230 nan 0.000 0.433 533 V N -0.589 119.388 119.914 0.106 0.000 2.379 533 V HA -0.204 3.840 4.120 -0.127 0.000 0.245 533 V C 2.495 178.665 176.094 0.126 0.000 1.044 533 V CA 1.359 63.719 62.300 0.099 0.000 1.036 533 V CB -0.467 31.390 31.823 0.056 0.000 0.664 533 V HN 0.382 nan 8.190 nan 0.000 0.453 534 K N -0.279 120.208 120.400 0.144 0.000 2.063 534 K HA -0.195 4.049 4.320 -0.127 0.000 0.208 534 K C 2.069 178.908 176.600 0.398 0.000 1.048 534 K CA 1.686 58.128 56.287 0.258 0.000 0.928 534 K CB -0.407 32.273 32.500 0.301 0.000 0.713 534 K HN 0.531 nan 8.250 nan 0.000 0.442 535 H N -0.102 118.974 119.070 0.010 0.000 2.502 535 H HA 0.160 4.640 4.556 -0.127 0.000 0.283 535 H C 0.136 175.500 175.328 0.060 0.000 1.015 535 H CA 0.747 56.730 56.048 -0.109 0.000 1.298 535 H CB 0.317 29.705 29.762 -0.623 0.000 1.411 535 H HN -0.029 nan 8.280 nan 0.000 0.556 536 K N 0.358 120.904 120.400 0.243 0.000 2.896 536 K HA 0.111 4.355 4.320 -0.127 0.000 0.228 536 K C -2.384 174.313 176.600 0.161 0.000 1.151 536 K CA -1.047 55.359 56.287 0.199 0.000 1.035 536 K CB 2.436 35.066 32.500 0.217 0.000 1.263 536 K HN 0.007 nan 8.250 nan 0.000 0.574 537 P HA -0.146 nan 4.420 nan 0.000 0.217 537 P C 0.599 177.950 177.300 0.085 0.000 1.151 537 P CA 1.004 64.172 63.100 0.114 0.000 0.828 537 P CB 0.557 32.333 31.700 0.125 0.000 0.788 538 K N 0.730 121.181 120.400 0.085 0.000 1.997 538 K HA 0.141 4.385 4.320 -0.127 0.000 0.219 538 K C 1.228 177.863 176.600 0.059 0.000 1.023 538 K CA 0.727 57.052 56.287 0.063 0.000 1.003 538 K CB -1.032 31.502 32.500 0.058 0.000 0.842 538 K HN -0.069 nan 8.250 nan 0.000 0.445 539 A N 2.082 124.938 122.820 0.059 0.000 2.569 539 A HA -0.007 4.237 4.320 -0.127 0.000 0.288 539 A C -0.028 177.593 177.584 0.061 0.000 1.326 539 A CA 0.985 53.053 52.037 0.053 0.000 0.978 539 A CB -1.074 17.957 19.000 0.050 0.000 1.054 539 A HN 0.550 nan 8.150 nan 0.000 0.558 540 T N -0.611 113.975 114.554 0.054 0.000 4.130 540 T HA 0.282 4.555 4.350 -0.127 0.000 0.262 540 T C 0.403 175.131 174.700 0.047 0.000 0.951 540 T CA -0.529 61.606 62.100 0.058 0.000 1.180 540 T CB -0.130 68.776 68.868 0.063 0.000 1.009 540 T HN 0.581 nan 8.240 nan 0.000 0.536 541 K N 2.133 122.557 120.400 0.040 0.000 2.260 541 K HA 0.136 4.380 4.320 -0.127 0.000 0.191 541 K C 1.817 178.438 176.600 0.035 0.000 1.076 541 K CA 0.824 57.131 56.287 0.034 0.000 1.077 541 K CB 0.047 32.564 32.500 0.029 0.000 1.423 541 K HN 0.556 nan 8.250 nan 0.000 0.462 542 E N 1.627 121.845 120.200 0.031 0.000 2.479 542 E HA -0.094 4.180 4.350 -0.127 0.000 0.193 542 E C 1.747 178.365 176.600 0.030 0.000 1.049 542 E CA 0.088 56.506 56.400 0.030 0.000 0.870 542 E CB 0.051 29.766 29.700 0.025 0.000 0.944 542 E HN 0.386 nan 8.360 nan 0.000 0.492 543 Q N 1.289 121.107 119.800 0.030 0.000 2.230 543 Q HA -0.097 4.167 4.340 -0.127 0.000 0.202 543 Q C 2.056 178.078 176.000 0.038 0.000 0.963 543 Q CA 0.695 56.515 55.803 0.028 0.000 0.866 543 Q CB -0.354 28.401 28.738 0.028 0.000 0.931 543 Q HN 0.355 nan 8.270 nan 0.000 0.452 544 L N 1.010 122.264 121.223 0.052 0.000 1.955 544 L HA -0.186 4.078 4.340 -0.127 0.000 0.213 544 L C 2.744 179.654 176.870 0.067 0.000 1.072 544 L CA 1.903 56.785 54.840 0.069 0.000 0.755 544 L CB -0.488 41.613 42.059 0.070 0.000 0.888 544 L HN 0.193 nan 8.230 nan 0.000 0.432 545 K N -0.117 120.318 120.400 0.057 0.000 2.152 545 K HA -0.155 4.089 4.320 -0.127 0.000 0.206 545 K C 1.970 178.602 176.600 0.053 0.000 1.048 545 K CA 1.188 57.511 56.287 0.060 0.000 0.933 545 K CB -0.089 32.441 32.500 0.050 0.000 0.721 545 K HN 0.331 nan 8.250 nan 0.000 0.447 546 A N -0.130 122.710 122.820 0.034 0.000 2.067 546 A HA -0.055 4.189 4.320 -0.127 0.000 0.219 546 A C 1.989 179.570 177.584 -0.006 0.000 1.158 546 A CA 1.194 53.240 52.037 0.015 0.000 0.661 546 A CB -0.067 18.935 19.000 0.003 0.000 0.801 546 A HN 0.149 nan 8.150 nan 0.000 0.452 547 V N -1.354 118.559 119.914 -0.002 0.000 2.685 547 V HA -0.096 3.948 4.120 -0.127 0.000 0.244 547 V C 2.361 178.465 176.094 0.016 0.000 1.054 547 V CA 1.666 63.930 62.300 -0.060 0.000 1.076 547 V CB -0.251 31.536 31.823 -0.059 0.000 0.725 547 V HN 0.573 nan 8.190 nan 0.000 0.467 548 M N 0.874 120.559 119.600 0.141 0.000 2.213 548 M HA -0.151 4.253 4.480 -0.127 0.000 0.263 548 M C 1.390 177.835 176.300 0.243 0.000 1.062 548 M CA 1.829 57.288 55.300 0.264 0.000 1.105 548 M CB -0.617 32.096 32.600 0.189 0.000 1.385 548 M HN 0.271 nan 8.290 nan 0.000 0.417 549 D N -0.313 120.175 120.400 0.146 0.000 2.249 549 D HA -0.068 4.496 4.640 -0.127 0.000 0.205 549 D C 1.253 177.623 176.300 0.116 0.000 0.962 549 D CA 0.917 54.996 54.000 0.131 0.000 0.860 549 D CB -0.270 40.584 40.800 0.090 0.000 0.955 549 D HN 0.382 nan 8.370 nan 0.000 0.505 550 D N -0.690 119.740 120.400 0.051 0.000 2.312 550 D HA -0.047 4.517 4.640 -0.127 0.000 0.211 550 D C 1.382 177.700 176.300 0.029 0.000 0.964 550 D CA 0.333 54.325 54.000 -0.014 0.000 0.877 550 D CB -0.078 40.639 40.800 -0.139 0.000 0.924 550 D HN 0.153 nan 8.370 nan 0.000 0.515 551 F N 1.154 121.188 119.950 0.139 0.000 2.149 551 F HA 0.107 4.558 4.527 -0.125 0.000 0.294 551 F C 2.404 178.389 175.800 0.308 0.000 1.095 551 F CA 0.571 58.739 58.000 0.279 0.000 1.276 551 F CB -0.763 38.376 39.000 0.232 0.000 1.023 551 F HN -0.085 nan 8.300 nan 0.000 0.480 552 A N 0.143 123.194 122.820 0.386 0.000 1.865 552 A HA -0.144 4.100 4.320 -0.127 0.000 0.217 552 A C 2.445 180.137 177.584 0.180 0.000 1.191 552 A CA 2.202 54.383 52.037 0.239 0.000 0.623 552 A CB -1.441 17.669 19.000 0.183 0.000 0.826 552 A HN 0.313 nan 8.150 nan 0.000 0.444 553 A N -0.915 122.004 122.820 0.166 0.000 1.865 553 A HA -0.105 4.139 4.320 -0.127 0.000 0.217 553 A C 2.070 179.745 177.584 0.151 0.000 1.191 553 A CA 1.895 54.005 52.037 0.121 0.000 0.623 553 A CB -0.920 18.137 19.000 0.095 0.000 0.826 553 A HN 0.890 nan 8.150 nan 0.000 0.444 554 F N 0.934 120.926 119.950 0.069 0.000 2.087 554 F HA -0.220 4.230 4.527 -0.127 0.000 0.299 554 F C 2.171 178.028 175.800 0.095 0.000 1.100 554 F CA 2.108 60.154 58.000 0.077 0.000 1.226 554 F CB -0.764 38.317 39.000 0.134 0.000 0.983 554 F HN 0.036 nan 8.300 nan 0.000 0.479 555 V N 0.854 120.700 119.914 -0.113 0.000 2.223 555 V HA -0.264 3.780 4.120 -0.127 0.000 0.244 555 V C 2.552 178.553 176.094 -0.155 0.000 1.045 555 V CA 2.305 64.489 62.300 -0.194 0.000 1.000 555 V CB -0.709 31.124 31.823 0.017 0.000 0.635 555 V HN 0.322 nan 8.190 nan 0.000 0.445 556 E N 0.042 120.211 120.200 -0.051 0.000 2.049 556 E HA -0.317 3.956 4.350 -0.127 0.000 0.198 556 E C 2.290 178.842 176.600 -0.080 0.000 1.007 556 E CA 1.953 58.328 56.400 -0.042 0.000 0.809 556 E CB -0.259 29.438 29.700 -0.005 0.000 0.749 556 E HN 0.525 nan 8.360 nan 0.000 0.450 557 K N 0.333 120.688 120.400 -0.074 0.000 2.063 557 K HA -0.155 4.089 4.320 -0.127 0.000 0.208 557 K C 2.291 178.796 176.600 -0.160 0.000 1.048 557 K CA 1.575 57.815 56.287 -0.078 0.000 0.928 557 K CB -0.284 32.201 32.500 -0.026 0.000 0.713 557 K HN 0.150 nan 8.250 nan 0.000 0.442 558 c N 0.044 118.458 118.600 -0.311 0.000 2.468 558 c HA 0.055 4.549 4.570 -0.127 0.000 0.277 558 c C 2.757 176.512 174.090 -0.557 0.000 1.400 558 c CA 0.060 56.078 56.329 -0.518 0.000 1.770 558 c CB -1.152 40.812 42.510 -0.910 0.000 1.905 558 c HN 0.732 nan 8.230 nan 0.000 0.519 559 c N 1.200 119.576 118.600 -0.373 0.000 2.436 559 c HA -0.027 4.467 4.570 -0.127 0.000 0.277 559 c C 1.876 175.920 174.090 -0.076 0.000 1.241 559 c CA 1.044 57.300 56.329 -0.121 0.000 1.721 559 c CB -0.796 41.714 42.510 -0.001 0.000 2.043 559 c HN 0.556 nan 8.230 nan 0.000 0.472 560 K N 0.890 121.241 120.400 -0.081 0.000 2.994 560 K HA 0.324 4.568 4.320 -0.127 0.000 0.231 560 K C 0.261 176.829 176.600 -0.053 0.000 1.174 560 K CA 0.129 56.388 56.287 -0.046 0.000 1.221 560 K CB -0.244 32.236 32.500 -0.034 0.000 1.166 560 K HN 0.406 nan 8.250 nan 0.000 0.453 561 A N 0.886 123.663 122.820 -0.072 0.000 2.630 561 A HA 0.226 4.470 4.320 -0.127 0.000 0.290 561 A C -0.419 177.143 177.584 -0.036 0.000 1.267 561 A CA -0.389 51.611 52.037 -0.060 0.000 0.950 561 A CB -0.199 18.747 19.000 -0.090 0.000 1.144 561 A HN 0.364 nan 8.150 nan 0.000 0.527 562 D N 0.731 121.119 120.400 -0.020 0.000 2.997 562 D HA -0.186 4.378 4.640 -0.127 0.000 0.226 562 D C 0.032 176.335 176.300 0.006 0.000 1.189 562 D CA 1.645 55.644 54.000 -0.003 0.000 0.834 562 D CB -0.982 39.817 40.800 -0.002 0.000 1.105 562 D HN 0.841 nan 8.370 nan 0.000 0.415 563 D N 0.117 120.517 120.400 0.001 0.000 2.341 563 D HA 0.029 4.593 4.640 -0.127 0.000 0.245 563 D C 0.456 176.786 176.300 0.051 0.000 1.106 563 D CA -0.367 53.643 54.000 0.017 0.000 0.905 563 D CB 0.940 41.737 40.800 -0.005 0.000 1.202 563 D HN -0.149 nan 8.370 nan 0.000 0.426 564 K N 1.724 122.158 120.400 0.056 0.000 3.358 564 K HA -0.030 4.214 4.320 -0.127 0.000 0.297 564 K C -0.107 176.555 176.600 0.105 0.000 1.064 564 K CA 0.055 56.383 56.287 0.070 0.000 1.144 564 K CB -0.756 31.777 32.500 0.056 0.000 1.289 564 K HN 0.595 nan 8.250 nan 0.000 0.372 565 E N -1.848 118.440 120.200 0.147 0.000 3.286 565 E HA -0.219 4.055 4.350 -0.127 0.000 0.292 565 E C 0.260 177.012 176.600 0.254 0.000 0.928 565 E CA 1.168 57.713 56.400 0.241 0.000 0.982 565 E CB -1.664 28.149 29.700 0.188 0.000 1.500 565 E HN 0.323 nan 8.360 nan 0.000 0.441 566 T N -1.283 113.376 114.554 0.175 0.000 3.046 566 T HA -0.048 4.226 4.350 -0.127 0.000 0.242 566 T C 1.863 176.646 174.700 0.138 0.000 1.018 566 T CA 0.589 62.776 62.100 0.146 0.000 1.131 566 T CB -0.085 68.839 68.868 0.093 0.000 0.904 566 T HN 0.533 nan 8.240 nan 0.000 0.459 567 c N 1.660 120.303 118.600 0.072 0.000 2.391 567 c HA -0.193 4.301 4.570 -0.127 0.000 0.276 567 c C 2.212 176.351 174.090 0.081 0.000 1.217 567 c CA 0.772 57.109 56.329 0.014 0.000 1.766 567 c CB -1.830 40.614 42.510 -0.111 0.000 2.046 567 c HN 0.447 nan 8.230 nan 0.000 0.475 568 F N 1.971 121.998 119.950 0.128 0.000 2.025 568 F HA -0.074 4.377 4.527 -0.126 0.000 0.297 568 F C 2.754 178.687 175.800 0.221 0.000 1.132 568 F CA 2.299 60.418 58.000 0.199 0.000 1.191 568 F CB -1.319 37.768 39.000 0.145 0.000 0.963 568 F HN 0.304 nan 8.300 nan 0.000 0.481 569 A N -0.287 122.741 122.820 0.347 0.000 1.908 569 A HA -0.201 4.042 4.320 -0.127 0.000 0.218 569 A C 2.212 179.891 177.584 0.158 0.000 1.181 569 A CA 1.933 54.093 52.037 0.205 0.000 0.627 569 A CB -0.684 18.411 19.000 0.159 0.000 0.818 569 A HN 0.407 nan 8.150 nan 0.000 0.445 570 E N -0.619 119.670 120.200 0.147 0.000 2.015 570 E HA -0.191 4.083 4.350 -0.127 0.000 0.191 570 E C 1.725 178.381 176.600 0.094 0.000 0.991 570 E CA 1.560 58.019 56.400 0.098 0.000 0.802 570 E CB -0.324 29.424 29.700 0.079 0.000 0.759 570 E HN 0.734 nan 8.360 nan 0.000 0.447 571 E N -0.237 120.054 120.200 0.152 0.000 2.476 571 E HA 0.031 4.305 4.350 -0.127 0.000 0.191 571 E C 1.463 178.100 176.600 0.061 0.000 1.064 571 E CA 0.349 56.830 56.400 0.136 0.000 0.866 571 E CB 0.170 30.005 29.700 0.225 0.000 0.952 571 E HN 0.274 nan 8.360 nan 0.000 0.492 572 G N 0.226 109.121 108.800 0.159 0.000 2.559 572 G HA2 -0.148 3.735 3.960 -0.127 0.000 0.209 572 G HA3 -0.148 3.735 3.960 -0.127 0.000 0.209 572 G C 1.563 176.417 174.900 -0.077 0.000 1.151 572 G CA 0.104 45.239 45.100 0.060 0.000 0.824 572 G HN 0.056 nan 8.290 nan 0.000 0.543 573 K N 1.181 121.575 120.400 -0.011 0.000 2.211 573 K HA 0.072 4.316 4.320 -0.127 0.000 0.203 573 K C 2.213 178.764 176.600 -0.082 0.000 1.050 573 K CA 1.000 57.270 56.287 -0.029 0.000 0.945 573 K CB -0.177 32.326 32.500 0.004 0.000 0.732 573 K HN 0.256 nan 8.250 nan 0.000 0.451 574 K N -0.009 120.324 120.400 -0.111 0.000 1.973 574 K HA -0.054 4.190 4.320 -0.127 0.000 0.210 574 K C 1.960 178.421 176.600 -0.232 0.000 1.045 574 K CA 1.665 57.863 56.287 -0.147 0.000 0.937 574 K CB -0.298 32.123 32.500 -0.132 0.000 0.721 574 K HN 0.111 nan 8.250 nan 0.000 0.438 575 L N 1.597 122.606 121.223 -0.358 0.000 2.362 575 L HA -0.136 4.127 4.340 -0.127 0.000 0.219 575 L C 2.383 178.980 176.870 -0.455 0.000 1.134 575 L CA 0.483 55.037 54.840 -0.478 0.000 0.807 575 L CB -0.635 40.972 42.059 -0.753 0.000 0.927 575 L HN 0.123 nan 8.230 nan 0.000 0.447 576 V N -2.834 116.890 119.914 -0.317 0.000 2.307 576 V HA -0.130 3.914 4.120 -0.127 0.000 0.245 576 V C 2.645 178.547 176.094 -0.319 0.000 1.045 576 V CA 1.451 63.605 62.300 -0.244 0.000 1.024 576 V CB -1.216 30.598 31.823 -0.014 0.000 0.651 576 V HN 0.278 nan 8.190 nan 0.000 0.449 577 A N 0.840 123.516 122.820 -0.240 0.000 1.902 577 A HA 0.080 4.324 4.320 -0.127 0.000 0.217 577 A C 2.473 179.907 177.584 -0.251 0.000 1.181 577 A CA 2.398 54.297 52.037 -0.230 0.000 0.623 577 A CB -1.070 17.843 19.000 -0.145 0.000 0.818 577 A HN 0.898 nan 8.150 nan 0.000 0.443 578 A N 0.304 122.974 122.820 -0.250 0.000 1.898 578 A HA -0.071 4.173 4.320 -0.127 0.000 0.216 578 A C 2.470 179.898 177.584 -0.260 0.000 1.181 578 A CA 2.255 54.152 52.037 -0.233 0.000 0.620 578 A CB -0.912 17.947 19.000 -0.235 0.000 0.819 578 A HN 0.949 nan 8.150 nan 0.000 0.442 579 S N -0.788 114.706 115.700 -0.343 0.000 2.453 579 S HA -0.155 4.239 4.470 -0.127 0.000 0.231 579 S C 1.969 176.397 174.600 -0.288 0.000 1.005 579 S CA 1.092 59.097 58.200 -0.325 0.000 0.949 579 S CB -0.289 62.645 63.200 -0.445 0.000 0.774 579 S HN 0.694 nan 8.310 nan 0.000 0.510 580 Q N 1.674 121.211 119.800 -0.439 0.000 1.969 580 Q HA 0.020 4.284 4.340 -0.127 0.000 0.198 580 Q C 2.368 178.240 176.000 -0.214 0.000 0.978 580 Q CA 1.308 56.805 55.803 -0.509 0.000 0.830 580 Q CB -0.613 27.660 28.738 -0.775 0.000 0.896 580 Q HN 0.631 nan 8.270 nan 0.000 0.431 581 A N 1.037 123.745 122.820 -0.187 0.000 2.024 581 A HA 0.010 4.253 4.320 -0.127 0.000 0.220 581 A C 1.289 178.827 177.584 -0.078 0.000 1.164 581 A CA 1.097 53.070 52.037 -0.106 0.000 0.643 581 A CB -0.962 17.977 19.000 -0.102 0.000 0.806 581 A HN 0.559 nan 8.150 nan 0.000 0.451 582 A N 0.000 122.763 122.820 -0.095 0.000 2.254 582 A HA 0.000 4.244 4.320 -0.127 0.000 0.244 582 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 582 A CB 0.000 18.947 19.000 -0.088 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486