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 1ao6_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 0.000 174.635 174.600 0.058 0.000 1.055 5 S CA 0.000 58.214 58.200 0.024 0.000 1.107 5 S CB 0.000 63.194 63.200 -0.011 0.000 0.593 6 E N 3.206 123.450 120.200 0.073 0.000 2.112 6 E HA 0.027 4.375 4.350 -0.003 0.000 0.190 6 E C 1.698 178.387 176.600 0.148 0.000 0.979 6 E CA 1.627 58.095 56.400 0.113 0.000 0.814 6 E CB -0.064 29.675 29.700 0.066 0.000 0.762 6 E HN 0.454 nan 8.360 nan 0.000 0.460 7 V N 0.032 120.024 119.914 0.129 0.000 2.626 7 V HA -0.133 3.985 4.120 -0.003 0.000 0.252 7 V C 1.960 178.131 176.094 0.130 0.000 1.067 7 V CA 1.813 64.234 62.300 0.202 0.000 1.081 7 V CB -0.347 31.620 31.823 0.240 0.000 0.686 7 V HN 0.444 nan 8.190 nan 0.000 0.468 8 A N -1.354 121.491 122.820 0.042 0.000 1.898 8 A HA -0.179 4.140 4.320 -0.003 0.000 0.214 8 A C 2.205 179.853 177.584 0.106 0.000 1.183 8 A CA 1.477 53.502 52.037 -0.020 0.000 0.622 8 A CB -0.914 18.049 19.000 -0.061 0.000 0.824 8 A HN 0.769 nan 8.150 nan 0.000 0.444 9 H N -0.463 118.634 119.070 0.044 0.000 2.293 9 H HA -0.108 4.446 4.556 -0.003 0.000 0.300 9 H C 2.205 177.593 175.328 0.100 0.000 1.082 9 H CA 1.444 57.527 56.048 0.057 0.000 1.308 9 H CB 0.016 29.804 29.762 0.043 0.000 1.375 9 H HN 0.219 nan 8.280 nan 0.000 0.495 10 R N 0.343 120.841 120.500 -0.002 0.000 2.070 10 R HA -0.154 4.185 4.340 -0.003 0.000 0.233 10 R C 2.408 178.789 176.300 0.135 0.000 1.137 10 R CA 1.103 57.198 56.100 -0.009 0.000 0.945 10 R CB -1.552 28.843 30.300 0.158 0.000 0.845 10 R HN 0.354 nan 8.270 nan 0.000 0.430 11 F N 2.195 122.152 119.950 0.012 0.000 2.154 11 F HA -0.223 4.302 4.527 -0.003 0.000 0.301 11 F C 2.075 177.798 175.800 -0.130 0.000 1.087 11 F CA 1.623 59.488 58.000 -0.225 0.000 1.274 11 F CB 0.019 38.640 39.000 -0.631 0.000 1.009 11 F HN -0.053 nan 8.300 nan 0.000 0.485 12 K N -0.252 120.247 120.400 0.164 0.000 2.031 12 K HA -0.146 4.172 4.320 -0.003 0.000 0.205 12 K C 1.785 178.381 176.600 -0.007 0.000 1.049 12 K CA 1.523 57.868 56.287 0.095 0.000 0.939 12 K CB -0.336 32.221 32.500 0.095 0.000 0.717 12 K HN 0.146 nan 8.250 nan 0.000 0.438 13 D N 0.802 121.162 120.400 -0.068 0.000 2.149 13 D HA -0.123 4.515 4.640 -0.003 0.000 0.198 13 D C 1.745 178.004 176.300 -0.068 0.000 0.990 13 D CA 1.110 55.051 54.000 -0.097 0.000 0.839 13 D CB 0.081 40.740 40.800 -0.234 0.000 0.948 13 D HN 0.124 nan 8.370 nan 0.000 0.460 14 L N -1.298 119.885 121.223 -0.067 0.000 2.357 14 L HA 0.298 4.637 4.340 -0.003 0.000 0.211 14 L C 1.020 177.826 176.870 -0.106 0.000 1.075 14 L CA 0.263 55.067 54.840 -0.059 0.000 0.830 14 L CB -0.146 41.906 42.059 -0.012 0.000 0.996 14 L HN 0.070 nan 8.230 nan 0.000 0.467 15 G N 0.829 109.501 108.800 -0.213 0.000 2.788 15 G HA2 -0.216 3.743 3.960 -0.003 0.000 0.686 15 G HA3 -0.216 3.743 3.960 -0.003 0.000 0.686 15 G C 0.271 174.893 174.900 -0.463 0.000 1.147 15 G CA 0.007 44.936 45.100 -0.285 0.000 0.755 15 G HN 0.276 nan 8.290 nan 0.000 0.634 16 E N 0.205 120.044 120.200 -0.602 0.000 2.208 16 E HA -0.239 4.109 4.350 -0.003 0.000 0.202 16 E C 1.939 178.434 176.600 -0.175 0.000 1.014 16 E CA 2.255 58.319 56.400 -0.559 0.000 0.819 16 E CB -0.019 29.558 29.700 -0.206 0.000 0.735 16 E HN 0.771 nan 8.360 nan 0.000 0.469 17 E N 0.002 120.140 120.200 -0.104 0.000 2.001 17 E HA -0.162 4.186 4.350 -0.003 0.000 0.193 17 E C 2.055 178.642 176.600 -0.021 0.000 0.994 17 E CA 1.164 57.544 56.400 -0.033 0.000 0.815 17 E CB -0.211 29.478 29.700 -0.019 0.000 0.770 17 E HN 0.257 nan 8.360 nan 0.000 0.453 18 N N 0.567 119.248 118.700 -0.032 0.000 2.289 18 N HA -0.143 4.596 4.740 -0.003 0.000 0.184 18 N C 1.510 176.988 175.510 -0.053 0.000 1.016 18 N CA 0.691 53.720 53.050 -0.036 0.000 0.872 18 N CB -0.383 38.085 38.487 -0.031 0.000 0.973 18 N HN 0.116 nan 8.380 nan 0.000 0.433 19 F N 1.987 121.831 119.950 -0.176 0.000 2.031 19 F HA -0.146 4.379 4.527 -0.002 0.000 0.295 19 F C 2.290 178.021 175.800 -0.115 0.000 1.133 19 F CA 1.551 59.458 58.000 -0.156 0.000 1.188 19 F CB -0.326 38.503 39.000 -0.285 0.000 0.974 19 F HN -0.145 nan 8.300 nan 0.000 0.473 20 K N 0.094 120.589 120.400 0.158 0.000 2.089 20 K HA -0.252 4.067 4.320 -0.003 0.000 0.210 20 K C 2.159 178.674 176.600 -0.142 0.000 1.048 20 K CA 1.486 57.807 56.287 0.056 0.000 0.926 20 K CB -0.534 32.036 32.500 0.117 0.000 0.714 20 K HN 0.434 nan 8.250 nan 0.000 0.448 21 A N 0.567 123.316 122.820 -0.119 0.000 1.897 21 A HA -0.079 4.240 4.320 -0.003 0.000 0.215 21 A C 1.986 179.440 177.584 -0.216 0.000 1.181 21 A CA 1.081 53.038 52.037 -0.132 0.000 0.620 21 A CB -0.399 18.561 19.000 -0.067 0.000 0.821 21 A HN 0.269 nan 8.150 nan 0.000 0.443 22 L N -0.569 120.501 121.223 -0.255 0.000 2.376 22 L HA -0.084 4.254 4.340 -0.003 0.000 0.219 22 L C 2.291 178.900 176.870 -0.436 0.000 1.133 22 L CA 0.290 54.957 54.840 -0.289 0.000 0.816 22 L CB -0.285 41.630 42.059 -0.240 0.000 0.933 22 L HN 0.216 nan 8.230 nan 0.000 0.449 23 V N -0.353 119.206 119.914 -0.592 0.000 2.283 23 V HA -0.253 3.865 4.120 -0.003 0.000 0.243 23 V C 2.327 177.821 176.094 -1.001 0.000 1.039 23 V CA 1.460 63.207 62.300 -0.922 0.000 1.016 23 V CB -0.323 30.933 31.823 -0.944 0.000 0.650 23 V HN 0.308 nan 8.190 nan 0.000 0.449 24 L N 0.244 121.084 121.223 -0.639 0.000 2.051 24 L HA -0.217 4.121 4.340 -0.003 0.000 0.214 24 L C 2.160 178.782 176.870 -0.413 0.000 1.076 24 L CA 2.058 56.623 54.840 -0.458 0.000 0.758 24 L CB -0.644 41.283 42.059 -0.221 0.000 0.890 24 L HN 0.259 nan 8.230 nan 0.000 0.433 25 I N -0.761 119.592 120.570 -0.362 0.000 2.252 25 I HA -0.275 3.894 4.170 -0.003 0.000 0.245 25 I C 2.553 178.460 176.117 -0.350 0.000 1.102 25 I CA 1.111 62.230 61.300 -0.300 0.000 1.385 25 I CB -0.693 37.162 38.000 -0.242 0.000 1.064 25 I HN 0.380 nan 8.210 nan 0.000 0.414 26 A N 1.061 123.623 122.820 -0.430 0.000 1.898 26 A HA -0.176 4.143 4.320 -0.003 0.000 0.216 26 A C 2.069 179.453 177.584 -0.333 0.000 1.181 26 A CA 1.419 53.202 52.037 -0.424 0.000 0.620 26 A CB -0.714 18.085 19.000 -0.334 0.000 0.819 26 A HN 0.291 nan 8.150 nan 0.000 0.442 27 F N 0.118 119.802 119.950 -0.443 0.000 2.146 27 F HA -0.019 4.506 4.527 -0.003 0.000 0.298 27 F C 2.847 178.332 175.800 -0.524 0.000 1.096 27 F CA 0.299 58.031 58.000 -0.445 0.000 1.275 27 F CB -1.336 37.342 39.000 -0.536 0.000 1.008 27 F HN 0.282 nan 8.300 nan 0.000 0.480 28 A N -0.435 122.138 122.820 -0.412 0.000 2.015 28 A HA -0.179 4.140 4.320 -0.003 0.000 0.219 28 A C 2.106 179.586 177.584 -0.173 0.000 1.163 28 A CA 1.217 53.086 52.037 -0.280 0.000 0.646 28 A CB -0.701 18.198 19.000 -0.168 0.000 0.806 28 A HN 0.458 nan 8.150 nan 0.000 0.448 29 Q N -2.084 117.572 119.800 -0.240 0.000 2.311 29 Q HA -0.070 4.268 4.340 -0.003 0.000 0.203 29 Q C 1.404 177.303 176.000 -0.168 0.000 0.954 29 Q CA 0.857 56.512 55.803 -0.246 0.000 0.885 29 Q CB -0.066 28.462 28.738 -0.350 0.000 0.963 29 Q HN 0.798 nan 8.270 nan 0.000 0.471 30 Y N -0.118 120.063 120.300 -0.198 0.000 2.262 30 Y HA 0.117 4.666 4.550 -0.003 0.000 0.295 30 Y C 1.056 176.800 175.900 -0.260 0.000 1.121 30 Y CA 0.306 58.238 58.100 -0.280 0.000 1.144 30 Y CB 0.476 38.648 38.460 -0.480 0.000 1.043 30 Y HN -0.065 nan 8.280 nan 0.000 0.528 31 L N 1.512 122.707 121.223 -0.046 0.000 2.506 31 L HA 0.219 4.558 4.340 -0.003 0.000 0.247 31 L C 0.761 177.625 176.870 -0.011 0.000 1.141 31 L CA -0.036 54.729 54.840 -0.125 0.000 0.973 31 L CB 0.925 42.870 42.059 -0.189 0.000 1.319 31 L HN 0.183 nan 8.230 nan 0.000 0.455 32 Q N 0.054 119.833 119.800 -0.034 0.000 2.224 32 Q HA -0.132 4.207 4.340 -0.003 0.000 0.203 32 Q C 1.118 177.128 176.000 0.017 0.000 0.970 32 Q CA 1.200 56.995 55.803 -0.012 0.000 0.865 32 Q CB 0.272 28.991 28.738 -0.032 0.000 0.922 32 Q HN 0.580 nan 8.270 nan 0.000 0.445 33 Q N -0.792 119.017 119.800 0.015 0.000 2.280 33 Q HA 0.094 4.432 4.340 -0.003 0.000 0.202 33 Q C -0.262 175.903 176.000 0.274 0.000 0.903 33 Q CA 0.009 55.908 55.803 0.160 0.000 0.948 33 Q CB 0.407 29.320 28.738 0.292 0.000 1.058 33 Q HN 0.222 nan 8.270 nan 0.000 0.493 34 C N 2.514 121.857 119.300 0.071 0.000 2.388 34 C HA 0.430 4.889 4.460 -0.003 0.000 0.362 34 C C -2.149 172.857 174.990 0.028 0.000 1.266 34 C CA -1.697 57.340 59.018 0.031 0.000 2.028 34 C CB 0.437 27.987 27.740 -0.316 0.000 2.440 34 C HN 0.187 nan 8.230 nan 0.000 0.547 35 P HA 0.007 nan 4.420 nan 0.000 0.265 35 P C 0.431 177.620 177.300 -0.185 0.000 1.187 35 P CA 0.288 63.396 63.100 0.014 0.000 0.766 35 P CB 0.190 31.884 31.700 -0.009 0.000 0.820 36 F N 4.028 123.707 119.950 -0.451 0.000 2.126 36 F HA -0.247 4.279 4.527 -0.002 0.000 0.299 36 F C 1.816 177.393 175.800 -0.373 0.000 1.096 36 F CA 1.778 59.280 58.000 -0.830 0.000 1.255 36 F CB -0.219 38.219 39.000 -0.938 0.000 0.997 36 F HN 0.298 nan 8.300 nan 0.000 0.479 37 E N 0.174 120.221 120.200 -0.256 0.000 2.077 37 E HA -0.216 4.132 4.350 -0.003 0.000 0.193 37 E C 1.833 178.273 176.600 -0.267 0.000 0.989 37 E CA 1.504 57.750 56.400 -0.257 0.000 0.800 37 E CB -0.812 28.842 29.700 -0.077 0.000 0.746 37 E HN 0.488 nan 8.360 nan 0.000 0.452 38 D N 0.458 120.720 120.400 -0.229 0.000 2.117 38 D HA -0.130 4.509 4.640 -0.003 0.000 0.197 38 D C 1.935 178.139 176.300 -0.159 0.000 0.987 38 D CA 0.964 54.852 54.000 -0.186 0.000 0.829 38 D CB -0.339 40.355 40.800 -0.177 0.000 0.961 38 D HN 0.281 nan 8.370 nan 0.000 0.460 39 H N 0.278 119.236 119.070 -0.186 0.000 2.357 39 H HA -0.022 4.532 4.556 -0.003 0.000 0.301 39 H C 2.429 177.638 175.328 -0.199 0.000 1.082 39 H CA 0.490 56.462 56.048 -0.127 0.000 1.342 39 H CB -0.516 29.184 29.762 -0.102 0.000 1.389 39 H HN 0.006 nan 8.280 nan 0.000 0.511 40 V N 1.415 121.139 119.914 -0.318 0.000 2.324 40 V HA -0.280 3.839 4.120 -0.003 0.000 0.250 40 V C 2.593 178.609 176.094 -0.130 0.000 1.060 40 V CA 2.180 64.286 62.300 -0.324 0.000 1.042 40 V CB -0.483 31.024 31.823 -0.527 0.000 0.650 40 V HN 0.372 nan 8.190 nan 0.000 0.450 41 K N 0.128 120.467 120.400 -0.103 0.000 2.026 41 K HA -0.144 4.175 4.320 -0.003 0.000 0.208 41 K C 2.151 178.762 176.600 0.018 0.000 1.048 41 K CA 1.584 57.848 56.287 -0.038 0.000 0.929 41 K CB -0.213 32.261 32.500 -0.044 0.000 0.713 41 K HN 0.435 nan 8.250 nan 0.000 0.439 42 L N 0.946 122.197 121.223 0.047 0.000 2.083 42 L HA -0.153 4.185 4.340 -0.003 0.000 0.209 42 L C 2.438 179.444 176.870 0.227 0.000 1.083 42 L CA 0.854 55.762 54.840 0.114 0.000 0.752 42 L CB -0.460 41.647 42.059 0.079 0.000 0.899 42 L HN 0.051 nan 8.230 nan 0.000 0.433 43 V N -0.103 119.915 119.914 0.172 0.000 2.453 43 V HA -0.198 3.921 4.120 -0.003 0.000 0.247 43 V C 2.169 178.320 176.094 0.095 0.000 1.048 43 V CA 1.550 63.886 62.300 0.060 0.000 1.049 43 V CB -0.709 31.053 31.823 -0.101 0.000 0.672 43 V HN 0.442 nan 8.190 nan 0.000 0.457 44 N N 0.519 119.261 118.700 0.069 0.000 2.084 44 N HA -0.162 4.576 4.740 -0.003 0.000 0.190 44 N C 1.839 177.419 175.510 0.117 0.000 1.030 44 N CA 1.554 54.652 53.050 0.080 0.000 0.849 44 N CB -0.285 38.226 38.487 0.040 0.000 1.012 44 N HN 0.597 nan 8.380 nan 0.000 0.423 45 E N 0.194 120.462 120.200 0.113 0.000 2.031 45 E HA -0.098 4.250 4.350 -0.003 0.000 0.193 45 E C 1.918 178.645 176.600 0.212 0.000 0.994 45 E CA 0.939 57.416 56.400 0.130 0.000 0.800 45 E CB -0.143 29.610 29.700 0.088 0.000 0.752 45 E HN 0.034 nan 8.360 nan 0.000 0.447 46 V N 1.319 121.382 119.914 0.248 0.000 2.469 46 V HA -0.264 3.855 4.120 -0.003 0.000 0.251 46 V C 2.208 178.572 176.094 0.449 0.000 1.064 46 V CA 2.127 64.652 62.300 0.375 0.000 1.066 46 V CB -0.562 31.464 31.823 0.338 0.000 0.667 46 V HN 0.366 nan 8.190 nan 0.000 0.461 47 T N -1.004 113.760 114.554 0.351 0.000 2.809 47 T HA -0.147 4.201 4.350 -0.003 0.000 0.260 47 T C 1.879 176.660 174.700 0.136 0.000 1.039 47 T CA 1.315 63.608 62.100 0.321 0.000 1.141 47 T CB -0.170 68.893 68.868 0.324 0.000 0.869 47 T HN 0.613 nan 8.240 nan 0.000 0.437 48 E N 0.182 120.462 120.200 0.134 0.000 2.118 48 E HA -0.187 4.161 4.350 -0.003 0.000 0.195 48 E C 1.922 178.552 176.600 0.050 0.000 0.992 48 E CA 1.003 57.443 56.400 0.067 0.000 0.804 48 E CB -0.206 29.545 29.700 0.085 0.000 0.741 48 E HN 0.461 nan 8.360 nan 0.000 0.458 49 F N 1.401 121.357 119.950 0.010 0.000 2.039 49 F HA -0.094 4.431 4.527 -0.003 0.000 0.294 49 F C 2.268 178.024 175.800 -0.074 0.000 1.130 49 F CA 1.761 59.761 58.000 0.001 0.000 1.189 49 F CB -1.027 38.016 39.000 0.070 0.000 0.983 49 F HN 0.068 nan 8.300 nan 0.000 0.471 50 A N 0.606 123.254 122.820 -0.286 0.000 1.954 50 A HA -0.350 3.969 4.320 -0.003 0.000 0.222 50 A C 2.256 179.362 177.584 -0.796 0.000 1.199 50 A CA 2.601 54.307 52.037 -0.550 0.000 0.657 50 A CB -1.013 17.692 19.000 -0.492 0.000 0.823 50 A HN 0.573 nan 8.150 nan 0.000 0.463 51 K N -0.953 119.013 120.400 -0.722 0.000 2.057 51 K HA -0.126 4.192 4.320 -0.003 0.000 0.207 51 K C 2.181 178.517 176.600 -0.441 0.000 1.049 51 K CA 1.797 57.689 56.287 -0.658 0.000 0.931 51 K CB -0.500 31.754 32.500 -0.410 0.000 0.714 51 K HN 0.785 nan 8.250 nan 0.000 0.440 52 T N -0.762 113.566 114.554 -0.377 0.000 2.833 52 T HA -0.161 4.187 4.350 -0.003 0.000 0.269 52 T C 2.203 176.712 174.700 -0.318 0.000 1.054 52 T CA 1.264 63.196 62.100 -0.280 0.000 1.135 52 T CB -0.780 67.970 68.868 -0.197 0.000 0.869 52 T HN 0.213 nan 8.240 nan 0.000 0.466 53 c N 0.751 119.071 118.600 -0.468 0.000 2.464 53 c HA 0.219 4.787 4.570 -0.003 0.000 0.278 53 c C 2.896 176.823 174.090 -0.271 0.000 1.375 53 c CA -0.333 55.773 56.329 -0.372 0.000 1.761 53 c CB -1.104 41.128 42.510 -0.463 0.000 1.944 53 c HN 0.420 nan 8.230 nan 0.000 0.509 54 V N 1.325 121.040 119.914 -0.332 0.000 2.453 54 V HA -0.100 4.019 4.120 -0.003 0.000 0.247 54 V C 2.621 178.617 176.094 -0.164 0.000 1.048 54 V CA 2.090 64.243 62.300 -0.246 0.000 1.049 54 V CB -0.890 30.724 31.823 -0.348 0.000 0.672 54 V HN 0.562 nan 8.190 nan 0.000 0.457 55 A N -1.107 121.607 122.820 -0.177 0.000 2.119 55 A HA -0.012 4.306 4.320 -0.003 0.000 0.216 55 A C 0.876 178.404 177.584 -0.094 0.000 1.152 55 A CA 1.211 53.177 52.037 -0.118 0.000 0.708 55 A CB -0.028 18.903 19.000 -0.115 0.000 0.805 55 A HN 0.511 nan 8.150 nan 0.000 0.460 56 D N -1.260 119.075 120.400 -0.109 0.000 2.312 56 D HA 0.129 4.767 4.640 -0.003 0.000 0.229 56 D C 0.217 176.467 176.300 -0.083 0.000 1.337 56 D CA -0.304 53.649 54.000 -0.079 0.000 0.964 56 D CB 0.497 41.258 40.800 -0.065 0.000 1.456 56 D HN 0.141 nan 8.370 nan 0.000 0.547 57 E N 0.536 120.698 120.200 -0.064 0.000 2.409 57 E HA -0.034 4.314 4.350 -0.003 0.000 0.198 57 E C 0.691 177.273 176.600 -0.030 0.000 1.024 57 E CA 0.589 56.958 56.400 -0.052 0.000 0.861 57 E CB 0.276 29.956 29.700 -0.034 0.000 0.788 57 E HN 0.247 nan 8.360 nan 0.000 0.521 58 S N 0.352 116.037 115.700 -0.025 0.000 2.540 58 S HA 0.295 4.763 4.470 -0.003 0.000 0.218 58 S C 0.873 175.473 174.600 -0.000 0.000 0.977 58 S CA -0.054 58.141 58.200 -0.008 0.000 0.918 58 S CB 0.528 63.723 63.200 -0.008 0.000 0.806 58 S HN 0.271 nan 8.310 nan 0.000 0.496 59 A N 2.198 125.012 122.820 -0.011 0.000 2.245 59 A HA 0.195 4.514 4.320 -0.003 0.000 0.279 59 A C 1.441 179.056 177.584 0.051 0.000 1.290 59 A CA 0.038 52.079 52.037 0.007 0.000 0.819 59 A CB -0.252 18.735 19.000 -0.021 0.000 1.173 59 A HN 0.348 nan 8.150 nan 0.000 0.508 60 E N -0.562 119.692 120.200 0.089 0.000 1.998 60 E HA -0.226 4.122 4.350 -0.003 0.000 0.221 60 E C 0.611 177.296 176.600 0.143 0.000 1.018 60 E CA 1.891 58.363 56.400 0.119 0.000 0.891 60 E CB -0.178 29.610 29.700 0.147 0.000 0.807 60 E HN 0.655 nan 8.360 nan 0.000 0.523 61 N N -0.490 118.360 118.700 0.250 0.000 2.273 61 N HA 0.066 4.804 4.740 -0.003 0.000 0.231 61 N C 0.753 176.456 175.510 0.322 0.000 1.134 61 N CA -0.126 53.059 53.050 0.226 0.000 0.856 61 N CB 0.317 38.875 38.487 0.119 0.000 1.068 61 N HN 0.248 nan 8.380 nan 0.000 0.510 62 c N 1.071 119.826 118.600 0.258 0.000 2.409 62 c HA -0.089 4.480 4.570 -0.003 0.000 0.288 62 c C 2.120 176.270 174.090 0.101 0.000 1.395 62 c CA 0.457 56.870 56.329 0.140 0.000 1.792 62 c CB -0.917 41.578 42.510 -0.025 0.000 1.847 62 c HN 0.550 nan 8.230 nan 0.000 0.534 63 D N 0.481 120.936 120.400 0.092 0.000 2.349 63 D HA -0.021 4.617 4.640 -0.003 0.000 0.215 63 D C 0.637 176.978 176.300 0.069 0.000 1.016 63 D CA 0.303 54.340 54.000 0.062 0.000 0.870 63 D CB -0.110 40.717 40.800 0.045 0.000 0.917 63 D HN 0.330 nan 8.370 nan 0.000 0.524 64 K N 1.068 121.528 120.400 0.099 0.000 2.258 64 K HA 0.131 4.450 4.320 -0.003 0.000 0.264 64 K C 0.370 177.009 176.600 0.065 0.000 1.007 64 K CA -0.259 56.077 56.287 0.083 0.000 0.941 64 K CB 0.873 33.429 32.500 0.094 0.000 0.966 64 K HN 0.093 nan 8.250 nan 0.000 0.480 65 S N 2.629 118.355 115.700 0.042 0.000 2.592 65 S HA 0.119 4.588 4.470 -0.003 0.000 0.271 65 S C 1.390 175.958 174.600 -0.052 0.000 1.326 65 S CA -0.629 57.575 58.200 0.007 0.000 1.024 65 S CB 0.571 63.790 63.200 0.031 0.000 0.921 65 S HN 0.587 nan 8.310 nan 0.000 0.527 66 L N 0.954 122.060 121.223 -0.196 0.000 2.042 66 L HA -0.152 4.187 4.340 -0.003 0.000 0.210 66 L C 2.655 179.251 176.870 -0.456 0.000 1.076 66 L CA 1.467 55.982 54.840 -0.542 0.000 0.749 66 L CB -0.878 40.717 42.059 -0.774 0.000 0.893 66 L HN 0.781 nan 8.230 nan 0.000 0.432 67 H N -0.400 118.586 119.070 -0.139 0.000 2.421 67 H HA -0.105 4.449 4.556 -0.003 0.000 0.298 67 H C 2.369 177.756 175.328 0.098 0.000 1.087 67 H CA 1.792 57.861 56.048 0.035 0.000 1.330 67 H CB -0.348 29.457 29.762 0.071 0.000 1.388 67 H HN 0.320 nan 8.280 nan 0.000 0.526 68 T N 1.597 116.253 114.554 0.169 0.000 2.668 68 T HA -0.085 4.263 4.350 -0.003 0.000 0.262 68 T C 2.508 177.294 174.700 0.144 0.000 1.045 68 T CA 0.928 63.104 62.100 0.126 0.000 1.152 68 T CB -0.503 68.413 68.868 0.079 0.000 0.864 68 T HN 0.160 nan 8.240 nan 0.000 0.419 69 L N 0.005 121.308 121.223 0.133 0.000 1.997 69 L HA -0.159 4.179 4.340 -0.003 0.000 0.216 69 L C 2.569 179.674 176.870 0.392 0.000 1.074 69 L CA 1.566 56.526 54.840 0.199 0.000 0.763 69 L CB -0.780 41.431 42.059 0.253 0.000 0.890 69 L HN 0.195 nan 8.230 nan 0.000 0.434 70 F N 0.364 120.425 119.950 0.186 0.000 2.134 70 F HA -0.092 4.433 4.527 -0.003 0.000 0.299 70 F C 2.541 178.398 175.800 0.095 0.000 1.097 70 F CA 1.156 59.299 58.000 0.239 0.000 1.264 70 F CB -1.665 37.566 39.000 0.386 0.000 1.001 70 F HN 0.029 nan 8.300 nan 0.000 0.479 71 G N -0.733 108.277 108.800 0.349 0.000 2.448 71 G HA2 -0.176 3.782 3.960 -0.003 0.000 0.218 71 G HA3 -0.176 3.782 3.960 -0.003 0.000 0.218 71 G C 1.224 176.195 174.900 0.120 0.000 1.135 71 G CA 0.683 45.940 45.100 0.260 0.000 0.784 71 G HN 0.219 nan 8.290 nan 0.000 0.543 72 D N 0.209 120.659 120.400 0.083 0.000 2.183 72 D HA -0.007 4.632 4.640 -0.003 0.000 0.203 72 D C 2.311 178.594 176.300 -0.029 0.000 0.969 72 D CA 0.751 54.763 54.000 0.021 0.000 0.842 72 D CB 0.068 40.873 40.800 0.009 0.000 0.957 72 D HN 0.131 nan 8.370 nan 0.000 0.484 73 K N 0.432 120.794 120.400 -0.064 0.000 2.021 73 K HA 0.089 4.408 4.320 -0.003 0.000 0.205 73 K C 2.073 178.515 176.600 -0.262 0.000 1.047 73 K CA 0.546 56.736 56.287 -0.160 0.000 0.943 73 K CB -0.507 31.879 32.500 -0.190 0.000 0.725 73 K HN 0.075 nan 8.250 nan 0.000 0.439 74 L N 0.016 121.018 121.223 -0.369 0.000 2.012 74 L HA -0.287 4.051 4.340 -0.003 0.000 0.210 74 L C 2.334 179.129 176.870 -0.125 0.000 1.073 74 L CA 1.375 56.003 54.840 -0.353 0.000 0.748 74 L CB -0.520 41.290 42.059 -0.414 0.000 0.891 74 L HN 0.225 nan 8.230 nan 0.000 0.431 75 c N -0.338 118.252 118.600 -0.017 0.000 2.413 75 c HA -0.128 4.441 4.570 -0.003 0.000 0.292 75 c C 2.864 176.949 174.090 -0.007 0.000 1.435 75 c CA 1.290 57.633 56.329 0.023 0.000 1.791 75 c CB -1.502 41.029 42.510 0.036 0.000 1.784 75 c HN 0.668 nan 8.230 nan 0.000 0.548 76 T N -1.908 112.624 114.554 -0.036 0.000 3.035 76 T HA -0.018 4.331 4.350 -0.003 0.000 0.268 76 T C 1.044 175.736 174.700 -0.014 0.000 1.109 76 T CA 1.497 63.579 62.100 -0.029 0.000 1.119 76 T CB -0.202 68.640 68.868 -0.042 0.000 0.900 76 T HN 0.384 nan 8.240 nan 0.000 0.503 77 V N -0.617 119.293 119.914 -0.007 0.000 3.432 77 V HA 0.605 4.723 4.120 -0.003 0.000 0.298 77 V C 2.314 178.493 176.094 0.141 0.000 1.464 77 V CA -0.002 62.325 62.300 0.046 0.000 1.046 77 V CB -0.115 31.729 31.823 0.034 0.000 0.887 77 V HN 0.509 nan 8.190 nan 0.000 0.441 78 A N 0.477 123.357 122.820 0.099 0.000 1.997 78 A HA 0.037 4.355 4.320 -0.003 0.000 0.212 78 A C 1.765 179.435 177.584 0.143 0.000 1.178 78 A CA 1.364 53.497 52.037 0.160 0.000 0.698 78 A CB -0.410 18.639 19.000 0.081 0.000 0.842 78 A HN 0.454 nan 8.150 nan 0.000 0.458 79 T N 0.839 115.434 114.554 0.068 0.000 3.802 79 T HA 0.411 4.759 4.350 -0.003 0.000 0.243 79 T C -0.051 174.661 174.700 0.021 0.000 0.934 79 T CA 0.403 62.523 62.100 0.033 0.000 0.931 79 T CB -0.970 67.902 68.868 0.006 0.000 1.167 79 T HN 0.238 nan 8.240 nan 0.000 0.655 80 L N 1.861 123.104 121.223 0.032 0.000 2.480 80 L HA 0.382 4.720 4.340 -0.003 0.000 0.253 80 L C 1.496 178.340 176.870 -0.044 0.000 1.324 80 L CA -0.816 54.012 54.840 -0.020 0.000 0.916 80 L CB 0.883 42.918 42.059 -0.039 0.000 1.160 80 L HN 0.234 nan 8.230 nan 0.000 0.503 81 R N -0.473 120.014 120.500 -0.022 0.000 2.285 81 R HA -0.084 4.254 4.340 -0.003 0.000 0.213 81 R C 0.805 177.068 176.300 -0.062 0.000 1.068 81 R CA 1.028 57.117 56.100 -0.018 0.000 1.004 81 R CB 0.010 30.310 30.300 0.000 0.000 0.873 81 R HN 0.504 nan 8.270 nan 0.000 0.467 82 E N 0.488 120.636 120.200 -0.087 0.000 2.409 82 E HA -0.079 4.270 4.350 -0.003 0.000 0.198 82 E C 0.782 177.286 176.600 -0.161 0.000 1.024 82 E CA 1.489 57.831 56.400 -0.096 0.000 0.861 82 E CB 0.264 29.916 29.700 -0.082 0.000 0.788 82 E HN 0.462 nan 8.360 nan 0.000 0.521 83 T N -0.849 113.535 114.554 -0.284 0.000 3.045 83 T HA 0.016 4.364 4.350 -0.003 0.000 0.239 83 T C 0.212 174.567 174.700 -0.575 0.000 1.008 83 T CA 0.471 62.240 62.100 -0.551 0.000 1.143 83 T CB 0.129 68.435 68.868 -0.937 0.000 0.894 83 T HN 0.118 nan 8.240 nan 0.000 0.451 84 Y N 1.129 121.424 120.300 -0.008 0.000 2.629 84 Y HA 0.565 5.113 4.550 -0.003 0.000 0.282 84 Y C 1.619 177.516 175.900 -0.005 0.000 0.994 84 Y CA -1.414 56.685 58.100 -0.002 0.000 1.126 84 Y CB -0.496 37.964 38.460 0.000 0.000 1.187 84 Y HN 0.235 nan 8.280 nan 0.000 0.600 85 G N 1.336 110.184 108.800 0.079 0.000 3.719 85 G HA2 -0.478 3.480 3.960 -0.003 0.000 0.266 85 G HA3 -0.478 3.480 3.960 -0.003 0.000 0.266 85 G C 1.510 176.439 174.900 0.048 0.000 0.902 85 G CA 1.927 47.058 45.100 0.051 0.000 0.775 85 G HN 0.542 nan 8.290 nan 0.000 1.342 86 E N -0.209 120.022 120.200 0.052 0.000 2.171 86 E HA -0.119 4.229 4.350 -0.003 0.000 0.197 86 E C 2.478 179.010 176.600 -0.113 0.000 0.997 86 E CA 1.188 57.600 56.400 0.019 0.000 0.810 86 E CB -0.181 29.586 29.700 0.112 0.000 0.738 86 E HN 0.384 nan 8.360 nan 0.000 0.467 87 M N -0.268 119.280 119.600 -0.087 0.000 2.748 87 M HA -0.004 4.474 4.480 -0.003 0.000 0.241 87 M C 1.646 177.903 176.300 -0.072 0.000 1.080 87 M CA 0.451 55.671 55.300 -0.134 0.000 1.068 87 M CB -0.432 32.160 32.600 -0.012 0.000 1.536 87 M HN 0.076 nan 8.290 nan 0.000 0.540 88 A N -0.510 122.273 122.820 -0.061 0.000 2.169 88 A HA 0.012 4.330 4.320 -0.003 0.000 0.210 88 A C 1.529 179.063 177.584 -0.083 0.000 1.168 88 A CA 0.554 52.567 52.037 -0.040 0.000 0.813 88 A CB -0.063 18.932 19.000 -0.008 0.000 0.861 88 A HN 0.284 nan 8.150 nan 0.000 0.481 89 D N -0.793 119.537 120.400 -0.117 0.000 2.289 89 D HA -0.032 4.607 4.640 -0.003 0.000 0.207 89 D C 1.636 177.830 176.300 -0.177 0.000 0.966 89 D CA 0.690 54.620 54.000 -0.116 0.000 0.868 89 D CB -0.415 40.336 40.800 -0.082 0.000 0.943 89 D HN 0.409 nan 8.370 nan 0.000 0.514 90 c N 0.013 118.448 118.600 -0.276 0.000 2.422 90 c HA -0.115 4.454 4.570 -0.003 0.000 0.279 90 c C 2.402 176.238 174.090 -0.423 0.000 1.305 90 c CA 0.284 56.346 56.329 -0.444 0.000 1.757 90 c CB -0.773 41.265 42.510 -0.787 0.000 1.962 90 c HN 0.420 nan 8.230 nan 0.000 0.499 91 c N 0.980 119.410 118.600 -0.284 0.000 2.573 91 c HA 0.272 4.840 4.570 -0.003 0.000 0.273 91 c C 2.457 176.473 174.090 -0.124 0.000 1.346 91 c CA 0.603 56.825 56.329 -0.177 0.000 1.702 91 c CB -2.067 40.396 42.510 -0.078 0.000 1.751 91 c HN 0.713 nan 8.230 nan 0.000 0.583 92 A N 0.228 122.969 122.820 -0.132 0.000 2.085 92 A HA 0.147 4.465 4.320 -0.003 0.000 0.208 92 A C 1.171 178.697 177.584 -0.096 0.000 1.191 92 A CA 0.364 52.346 52.037 -0.092 0.000 0.799 92 A CB 0.097 19.050 19.000 -0.078 0.000 0.877 92 A HN 0.582 nan 8.150 nan 0.000 0.473 93 K N -0.289 120.032 120.400 -0.132 0.000 2.488 93 K HA 0.520 4.838 4.320 -0.003 0.000 0.255 93 K C -0.326 176.205 176.600 -0.115 0.000 1.036 93 K CA -0.284 55.932 56.287 -0.119 0.000 0.990 93 K CB 0.294 32.709 32.500 -0.143 0.000 1.304 93 K HN 0.326 nan 8.250 nan 0.000 0.505 94 Q N 0.133 119.877 119.800 -0.093 0.000 2.605 94 Q HA 0.205 4.543 4.340 -0.003 0.000 0.296 94 Q C -1.131 174.833 176.000 -0.059 0.000 1.056 94 Q CA -0.984 54.778 55.803 -0.068 0.000 0.778 94 Q CB 1.848 30.563 28.738 -0.039 0.000 1.497 94 Q HN 0.354 nan 8.270 nan 0.000 0.443 95 E N 2.340 122.524 120.200 -0.027 0.000 2.373 95 E HA 0.065 4.414 4.350 -0.003 0.000 0.267 95 E C -1.661 174.942 176.600 0.005 0.000 1.032 95 E CA -1.265 55.132 56.400 -0.005 0.000 0.889 95 E CB 0.455 30.180 29.700 0.042 0.000 0.984 95 E HN 0.406 nan 8.360 nan 0.000 0.425 96 P HA 0.098 nan 4.420 nan 0.000 0.255 96 P C 0.219 177.510 177.300 -0.015 0.000 1.248 96 P CA 0.284 63.396 63.100 0.021 0.000 0.807 96 P CB 0.623 32.357 31.700 0.057 0.000 1.150 97 E N 0.540 120.716 120.200 -0.040 0.000 2.150 97 E HA -0.113 4.235 4.350 -0.003 0.000 0.193 97 E C 2.244 178.765 176.600 -0.132 0.000 0.985 97 E CA 0.832 57.193 56.400 -0.065 0.000 0.814 97 E CB -0.454 29.210 29.700 -0.061 0.000 0.752 97 E HN 0.208 nan 8.360 nan 0.000 0.466 98 R N 0.669 121.058 120.500 -0.184 0.000 2.066 98 R HA -0.154 4.185 4.340 -0.003 0.000 0.232 98 R C 2.073 178.101 176.300 -0.454 0.000 1.131 98 R CA 1.766 57.650 56.100 -0.360 0.000 0.955 98 R CB -0.207 29.888 30.300 -0.341 0.000 0.851 98 R HN 0.128 nan 8.270 nan 0.000 0.432 99 N N 0.482 119.020 118.700 -0.271 0.000 2.084 99 N HA -0.219 4.520 4.740 -0.003 0.000 0.190 99 N C 1.654 177.078 175.510 -0.145 0.000 1.030 99 N CA 1.782 54.685 53.050 -0.246 0.000 0.849 99 N CB -0.055 38.175 38.487 -0.429 0.000 1.012 99 N HN 0.311 nan 8.380 nan 0.000 0.423 100 E N -0.505 119.653 120.200 -0.069 0.000 2.130 100 E HA -0.257 4.092 4.350 -0.003 0.000 0.196 100 E C 1.980 178.582 176.600 0.003 0.000 0.998 100 E CA 1.205 57.615 56.400 0.017 0.000 0.806 100 E CB -0.240 29.468 29.700 0.014 0.000 0.738 100 E HN 0.528 nan 8.360 nan 0.000 0.459 101 c N -0.215 118.339 118.600 -0.077 0.000 2.489 101 c HA -0.120 4.449 4.570 -0.003 0.000 0.279 101 c C 2.375 176.522 174.090 0.096 0.000 1.266 101 c CA 0.382 56.693 56.329 -0.031 0.000 1.707 101 c CB -1.320 41.063 42.510 -0.212 0.000 2.059 101 c HN 0.447 nan 8.230 nan 0.000 0.481 102 F N 1.629 121.495 119.950 -0.140 0.000 2.063 102 F HA -0.132 4.394 4.527 -0.003 0.000 0.298 102 F C 2.292 178.036 175.800 -0.093 0.000 1.109 102 F CA 1.695 59.520 58.000 -0.292 0.000 1.212 102 F CB -1.260 37.227 39.000 -0.855 0.000 0.973 102 F HN 0.222 nan 8.300 nan 0.000 0.480 103 L N -0.722 120.602 121.223 0.169 0.000 2.012 103 L HA -0.278 4.061 4.340 -0.003 0.000 0.210 103 L C 2.435 179.413 176.870 0.181 0.000 1.073 103 L CA 1.680 56.652 54.840 0.220 0.000 0.748 103 L CB -0.969 41.206 42.059 0.193 0.000 0.891 103 L HN 0.229 nan 8.230 nan 0.000 0.431 104 Q N -0.541 119.341 119.800 0.136 0.000 2.368 104 Q HA -0.219 4.119 4.340 -0.003 0.000 0.210 104 Q C 1.306 177.261 176.000 -0.075 0.000 0.982 104 Q CA 1.364 57.187 55.803 0.033 0.000 0.884 104 Q CB 0.105 28.840 28.738 -0.005 0.000 0.933 104 Q HN 0.597 nan 8.270 nan 0.000 0.460 105 H N -1.064 118.060 119.070 0.090 0.000 2.652 105 H HA 0.232 4.787 4.556 -0.003 0.000 0.274 105 H C -0.400 174.985 175.328 0.095 0.000 1.021 105 H CA -0.184 55.916 56.048 0.085 0.000 1.187 105 H CB 0.552 30.365 29.762 0.084 0.000 1.505 105 H HN -0.049 nan 8.280 nan 0.000 0.530 106 K N 1.549 122.059 120.400 0.184 0.000 2.489 106 K HA -0.032 4.287 4.320 -0.003 0.000 0.278 106 K C -0.387 176.299 176.600 0.143 0.000 1.000 106 K CA 0.226 56.592 56.287 0.131 0.000 1.012 106 K CB 0.419 32.928 32.500 0.015 0.000 0.903 106 K HN 0.146 nan 8.250 nan 0.000 0.485 107 D N 1.884 122.347 120.400 0.104 0.000 2.233 107 D HA 0.074 4.712 4.640 -0.003 0.000 0.240 107 D C 0.145 176.495 176.300 0.084 0.000 1.074 107 D CA -0.317 53.734 54.000 0.084 0.000 0.838 107 D CB 1.208 42.040 40.800 0.054 0.000 1.124 107 D HN 0.388 nan 8.370 nan 0.000 0.475 108 D N 2.274 122.723 120.400 0.082 0.000 2.277 108 D HA -0.079 4.559 4.640 -0.003 0.000 0.208 108 D C 0.121 176.415 176.300 -0.009 0.000 0.962 108 D CA 0.661 54.696 54.000 0.058 0.000 0.865 108 D CB 0.308 41.128 40.800 0.033 0.000 0.939 108 D HN 0.418 nan 8.370 nan 0.000 0.510 109 N N 0.457 119.149 118.700 -0.013 0.000 2.791 109 N HA 0.188 4.926 4.740 -0.003 0.000 0.265 109 N C -2.831 172.663 175.510 -0.027 0.000 1.580 109 N CA -1.282 51.747 53.050 -0.036 0.000 0.809 109 N CB 1.400 39.871 38.487 -0.027 0.000 1.178 109 N HN -0.226 nan 8.380 nan 0.000 0.499 110 P HA 0.090 nan 4.420 nan 0.000 0.270 110 P C -0.906 176.381 177.300 -0.022 0.000 1.223 110 P CA -0.203 62.884 63.100 -0.022 0.000 0.785 110 P CB 0.522 32.198 31.700 -0.040 0.000 0.923 111 N N 1.889 120.586 118.700 -0.004 0.000 3.322 111 N HA 0.184 4.923 4.740 -0.003 0.000 0.290 111 N C -0.459 175.049 175.510 -0.003 0.000 1.297 111 N CA 0.086 53.133 53.050 -0.005 0.000 1.167 111 N CB -0.440 38.050 38.487 0.004 0.000 1.434 111 N HN 0.320 nan 8.380 nan 0.000 0.526 112 L N 0.561 121.775 121.223 -0.016 0.000 2.334 112 L HA 0.533 4.872 4.340 -0.003 0.000 0.272 112 L C -1.746 175.114 176.870 -0.015 0.000 1.020 112 L CA -1.984 52.847 54.840 -0.015 0.000 0.812 112 L CB 0.618 42.654 42.059 -0.037 0.000 1.264 112 L HN -0.001 nan 8.230 nan 0.000 0.439 113 P HA 0.094 nan 4.420 nan 0.000 0.265 113 P C -0.599 176.697 177.300 -0.007 0.000 1.193 113 P CA -0.233 62.866 63.100 -0.002 0.000 0.765 113 P CB 0.395 32.100 31.700 0.009 0.000 0.823 114 R N 2.196 122.694 120.500 -0.004 0.000 2.489 114 R HA 0.121 4.460 4.340 -0.003 0.000 0.287 114 R C -0.209 176.095 176.300 0.007 0.000 1.053 114 R CA -0.546 55.553 56.100 -0.001 0.000 1.036 114 R CB 0.063 30.366 30.300 0.005 0.000 0.966 114 R HN 0.341 nan 8.270 nan 0.000 0.432 115 L N 5.671 126.899 121.223 0.007 0.000 2.360 115 L HA 0.228 4.567 4.340 -0.003 0.000 0.276 115 L C -0.615 176.276 176.870 0.036 0.000 1.121 115 L CA 0.336 55.187 54.840 0.017 0.000 0.845 115 L CB 1.340 43.404 42.059 0.007 0.000 1.143 115 L HN 0.360 nan 8.230 nan 0.000 0.452 116 V N 6.546 126.485 119.914 0.041 0.000 2.815 116 V HA 0.700 4.818 4.120 -0.003 0.000 0.314 116 V C -0.559 175.576 176.094 0.068 0.000 1.064 116 V CA -0.833 61.498 62.300 0.051 0.000 0.952 116 V CB 2.041 33.889 31.823 0.041 0.000 1.020 116 V HN 0.934 nan 8.190 nan 0.000 0.439 117 R N 4.792 125.340 120.500 0.081 0.000 2.407 117 R HA 0.738 5.076 4.340 -0.003 0.000 0.303 117 R C -2.674 173.683 176.300 0.094 0.000 0.981 117 R CA -1.621 54.542 56.100 0.106 0.000 0.905 117 R CB 0.602 30.984 30.300 0.136 0.000 1.099 117 R HN 0.492 nan 8.270 nan 0.000 0.459 118 P HA 0.069 nan 4.420 nan 0.000 0.275 118 P C -0.670 176.681 177.300 0.086 0.000 1.266 118 P CA -0.650 62.503 63.100 0.089 0.000 0.793 118 P CB 0.497 32.256 31.700 0.100 0.000 1.074 119 E N -0.737 119.501 120.200 0.064 0.000 2.447 119 E HA -0.019 4.329 4.350 -0.003 0.000 0.259 119 E C 1.106 177.741 176.600 0.058 0.000 1.196 119 E CA -0.419 56.010 56.400 0.049 0.000 0.995 119 E CB 0.124 29.845 29.700 0.035 0.000 0.974 119 E HN 0.042 nan 8.360 nan 0.000 0.465 120 V N 1.568 121.503 119.914 0.034 0.000 2.407 120 V HA -0.244 3.875 4.120 -0.003 0.000 0.248 120 V C 1.468 177.580 176.094 0.030 0.000 1.055 120 V CA 1.885 64.198 62.300 0.023 0.000 1.049 120 V CB -0.477 31.330 31.823 -0.027 0.000 0.662 120 V HN 0.611 nan 8.190 nan 0.000 0.455 121 D N 0.207 120.623 120.400 0.026 0.000 2.097 121 D HA -0.127 4.511 4.640 -0.003 0.000 0.195 121 D C 2.219 178.542 176.300 0.039 0.000 0.989 121 D CA 1.450 55.467 54.000 0.029 0.000 0.827 121 D CB -0.324 40.491 40.800 0.025 0.000 0.966 121 D HN 0.334 nan 8.370 nan 0.000 0.456 122 V N 1.339 121.282 119.914 0.048 0.000 2.231 122 V HA -0.305 3.813 4.120 -0.003 0.000 0.248 122 V C 2.637 178.769 176.094 0.064 0.000 1.054 122 V CA 1.751 64.085 62.300 0.058 0.000 1.015 122 V CB -0.583 31.280 31.823 0.068 0.000 0.638 122 V HN 0.193 nan 8.190 nan 0.000 0.444 123 M N -0.909 118.750 119.600 0.097 0.000 2.108 123 M HA -0.227 4.251 4.480 -0.003 0.000 0.261 123 M C 2.332 178.572 176.300 -0.100 0.000 1.066 123 M CA 1.896 57.259 55.300 0.105 0.000 1.107 123 M CB -0.744 32.042 32.600 0.311 0.000 1.356 123 M HN 0.427 nan 8.290 nan 0.000 0.406 124 c N -0.064 118.521 118.600 -0.024 0.000 2.446 124 c HA -0.069 4.500 4.570 -0.003 0.000 0.279 124 c C 2.800 176.858 174.090 -0.054 0.000 1.366 124 c CA 1.167 57.446 56.329 -0.083 0.000 1.763 124 c CB -1.011 41.493 42.510 -0.009 0.000 1.929 124 c HN 0.575 nan 8.230 nan 0.000 0.509 125 T N 1.115 115.669 114.554 0.001 0.000 2.698 125 T HA -0.053 4.296 4.350 -0.003 0.000 0.260 125 T C 2.264 176.957 174.700 -0.012 0.000 1.044 125 T CA 1.465 63.593 62.100 0.046 0.000 1.149 125 T CB -0.581 68.314 68.868 0.046 0.000 0.864 125 T HN 0.567 nan 8.240 nan 0.000 0.419 126 A N 1.560 124.355 122.820 -0.042 0.000 1.903 126 A HA -0.173 4.145 4.320 -0.003 0.000 0.219 126 A C 2.038 179.519 177.584 -0.172 0.000 1.191 126 A CA 2.018 54.035 52.037 -0.033 0.000 0.638 126 A CB -1.238 17.804 19.000 0.071 0.000 0.823 126 A HN 0.477 nan 8.150 nan 0.000 0.451 127 F N 0.267 119.793 119.950 -0.706 0.000 2.095 127 F HA -0.256 4.269 4.527 -0.002 0.000 0.298 127 F C 2.244 177.753 175.800 -0.484 0.000 1.104 127 F CA 2.513 59.923 58.000 -0.983 0.000 1.232 127 F CB -0.590 37.593 39.000 -1.361 0.000 0.987 127 F HN 0.449 nan 8.300 nan 0.000 0.475 128 H N -1.480 117.490 119.070 -0.167 0.000 2.428 128 H HA -0.113 4.442 4.556 -0.003 0.000 0.296 128 H C 1.841 177.064 175.328 -0.175 0.000 1.062 128 H CA 1.141 57.077 56.048 -0.186 0.000 1.350 128 H CB -0.228 29.521 29.762 -0.021 0.000 1.403 128 H HN 0.277 nan 8.280 nan 0.000 0.533 129 D N 0.366 120.753 120.400 -0.022 0.000 2.092 129 D HA -0.148 4.491 4.640 -0.003 0.000 0.193 129 D C 0.332 176.601 176.300 -0.051 0.000 0.994 129 D CA 1.167 55.156 54.000 -0.018 0.000 0.828 129 D CB 0.106 40.906 40.800 0.000 0.000 0.963 129 D HN 0.134 nan 8.370 nan 0.000 0.450 130 N N -0.665 117.985 118.700 -0.084 0.000 2.701 130 N HA -0.002 4.737 4.740 -0.003 0.000 0.258 130 N C 0.053 175.499 175.510 -0.107 0.000 1.262 130 N CA -0.078 52.928 53.050 -0.073 0.000 0.780 130 N CB 0.918 39.405 38.487 -0.000 0.000 1.380 130 N HN 0.233 nan 8.380 nan 0.000 0.548 131 E N 1.068 121.104 120.200 -0.274 0.000 2.268 131 E HA -0.126 4.222 4.350 -0.003 0.000 0.195 131 E C 0.254 176.842 176.600 -0.019 0.000 0.995 131 E CA 0.885 57.085 56.400 -0.333 0.000 0.836 131 E CB 0.248 29.459 29.700 -0.815 0.000 0.763 131 E HN 0.442 nan 8.360 nan 0.000 0.491 132 E N 1.116 121.313 120.200 -0.005 0.000 2.046 132 E HA -0.094 4.254 4.350 -0.003 0.000 0.190 132 E C 2.212 178.871 176.600 0.099 0.000 0.982 132 E CA 1.582 58.013 56.400 0.053 0.000 0.800 132 E CB -0.400 29.323 29.700 0.039 0.000 0.756 132 E HN 0.295 nan 8.360 nan 0.000 0.449 133 T N 1.566 116.181 114.554 0.101 0.000 2.746 133 T HA -0.142 4.207 4.350 -0.003 0.000 0.267 133 T C 1.610 176.351 174.700 0.068 0.000 1.039 133 T CA 1.029 63.210 62.100 0.135 0.000 1.142 133 T CB -0.459 68.481 68.868 0.121 0.000 0.866 133 T HN 0.100 nan 8.240 nan 0.000 0.444 134 F N 1.277 121.201 119.950 -0.044 0.000 2.126 134 F HA -0.026 4.499 4.527 -0.003 0.000 0.299 134 F C 1.888 177.703 175.800 0.025 0.000 1.096 134 F CA 1.151 59.121 58.000 -0.049 0.000 1.255 134 F CB -0.290 38.665 39.000 -0.076 0.000 0.997 134 F HN 0.069 nan 8.300 nan 0.000 0.479 135 L N -0.580 120.698 121.223 0.092 0.000 2.270 135 L HA -0.099 4.240 4.340 -0.003 0.000 0.210 135 L C 2.359 179.268 176.870 0.065 0.000 1.104 135 L CA 0.728 55.630 54.840 0.104 0.000 0.804 135 L CB -0.408 41.775 42.059 0.206 0.000 0.937 135 L HN 0.006 nan 8.230 nan 0.000 0.450 136 K N 0.243 120.694 120.400 0.085 0.000 2.057 136 K HA -0.224 4.095 4.320 -0.003 0.000 0.206 136 K C 2.055 178.727 176.600 0.119 0.000 1.050 136 K CA 1.237 57.633 56.287 0.182 0.000 0.935 136 K CB 0.007 32.735 32.500 0.380 0.000 0.715 136 K HN 0.030 nan 8.250 nan 0.000 0.439 137 K N -0.047 120.205 120.400 -0.247 0.000 2.280 137 K HA -0.193 4.126 4.320 -0.003 0.000 0.202 137 K C 1.902 178.383 176.600 -0.198 0.000 1.047 137 K CA 1.059 57.021 56.287 -0.541 0.000 0.942 137 K CB -0.083 31.992 32.500 -0.708 0.000 0.739 137 K HN 0.160 nan 8.250 nan 0.000 0.457 138 Y N 0.429 120.519 120.300 -0.350 0.000 2.206 138 Y HA -0.052 4.496 4.550 -0.003 0.000 0.292 138 Y C 1.448 177.165 175.900 -0.304 0.000 1.123 138 Y CA 1.180 59.020 58.100 -0.434 0.000 1.142 138 Y CB -0.181 37.832 38.460 -0.746 0.000 1.006 138 Y HN -0.084 nan 8.280 nan 0.000 0.518 139 L N -0.657 120.416 121.223 -0.250 0.000 1.990 139 L HA -0.291 4.047 4.340 -0.003 0.000 0.213 139 L C 2.431 179.151 176.870 -0.250 0.000 1.072 139 L CA 2.154 56.806 54.840 -0.312 0.000 0.755 139 L CB -1.127 40.867 42.059 -0.109 0.000 0.889 139 L HN 0.358 nan 8.230 nan 0.000 0.432 140 Y N 1.111 121.311 120.300 -0.166 0.000 2.081 140 Y HA -0.321 4.228 4.550 -0.003 0.000 0.280 140 Y C 2.642 178.465 175.900 -0.129 0.000 1.163 140 Y CA 1.983 60.046 58.100 -0.061 0.000 1.135 140 Y CB -0.227 38.343 38.460 0.182 0.000 0.970 140 Y HN 0.170 nan 8.280 nan 0.000 0.498 141 E N 0.042 120.039 120.200 -0.337 0.000 2.106 141 E HA -0.167 4.182 4.350 -0.003 0.000 0.192 141 E C 2.309 178.680 176.600 -0.382 0.000 0.984 141 E CA 1.307 57.453 56.400 -0.423 0.000 0.806 141 E CB -0.242 29.326 29.700 -0.219 0.000 0.750 141 E HN 0.522 nan 8.360 nan 0.000 0.458 142 I N 1.054 121.347 120.570 -0.463 0.000 2.315 142 I HA -0.151 4.017 4.170 -0.003 0.000 0.248 142 I C 2.401 178.331 176.117 -0.312 0.000 1.117 142 I CA 0.821 61.858 61.300 -0.438 0.000 1.404 142 I CB -1.349 36.149 38.000 -0.837 0.000 1.071 142 I HN -0.066 nan 8.210 nan 0.000 0.419 143 A N 2.067 124.667 122.820 -0.367 0.000 1.873 143 A HA -0.200 4.118 4.320 -0.003 0.000 0.215 143 A C 2.431 179.893 177.584 -0.203 0.000 1.186 143 A CA 1.617 53.494 52.037 -0.267 0.000 0.616 143 A CB -0.598 18.242 19.000 -0.266 0.000 0.823 143 A HN 0.516 nan 8.150 nan 0.000 0.442 144 R N -0.805 119.528 120.500 -0.278 0.000 2.189 144 R HA 0.015 4.354 4.340 -0.003 0.000 0.218 144 R C 1.824 178.014 176.300 -0.183 0.000 1.074 144 R CA 1.183 57.142 56.100 -0.235 0.000 0.991 144 R CB -0.307 29.785 30.300 -0.348 0.000 0.883 144 R HN 0.419 nan 8.270 nan 0.000 0.457 145 R N -0.026 120.353 120.500 -0.201 0.000 2.173 145 R HA 0.104 4.442 4.340 -0.003 0.000 0.208 145 R C 0.134 176.216 176.300 -0.363 0.000 1.035 145 R CA 0.562 56.509 56.100 -0.255 0.000 1.004 145 R CB 0.240 30.386 30.300 -0.257 0.000 0.917 145 R HN 0.387 nan 8.270 nan 0.000 0.462 146 H N 1.018 120.061 119.070 -0.045 0.000 2.541 146 H HA 0.163 4.717 4.556 -0.003 0.000 0.246 146 H C -1.885 173.484 175.328 0.068 0.000 1.341 146 H CA -1.747 54.344 56.048 0.072 0.000 1.469 146 H CB 1.636 31.516 29.762 0.196 0.000 1.472 146 H HN -0.000 nan 8.280 nan 0.000 0.503 147 P HA -0.165 nan 4.420 nan 0.000 0.223 147 P C 0.222 177.419 177.300 -0.172 0.000 1.144 147 P CA 1.186 64.257 63.100 -0.049 0.000 0.783 147 P CB 0.135 31.794 31.700 -0.069 0.000 0.771 148 Y N -2.247 118.103 120.300 0.084 0.000 2.696 148 Y HA 0.329 4.878 4.550 -0.003 0.000 0.260 148 Y C 0.632 176.601 175.900 0.115 0.000 1.165 148 Y CA -1.104 57.040 58.100 0.072 0.000 1.189 148 Y CB -0.525 37.955 38.460 0.032 0.000 1.180 148 Y HN -0.221 nan 8.280 nan 0.000 0.538 149 F N 1.010 121.022 119.950 0.103 0.000 2.504 149 F HA 0.081 4.606 4.527 -0.003 0.000 0.369 149 F C 0.423 176.296 175.800 0.123 0.000 1.082 149 F CA -0.970 57.067 58.000 0.063 0.000 1.216 149 F CB 0.171 39.138 39.000 -0.056 0.000 1.108 149 F HN 0.084 nan 8.300 nan 0.000 0.554 150 Y N 6.883 127.248 120.300 0.109 0.000 2.853 150 Y HA 0.067 4.615 4.550 -0.003 0.000 0.365 150 Y C 1.140 177.186 175.900 0.243 0.000 1.310 150 Y CA -0.372 57.818 58.100 0.150 0.000 1.703 150 Y CB -0.165 38.355 38.460 0.101 0.000 1.238 150 Y HN 0.779 nan 8.280 nan 0.000 0.510 151 A N 7.709 130.656 122.820 0.211 0.000 1.881 151 A HA -0.237 4.081 4.320 -0.003 0.000 0.219 151 A C -0.226 177.320 177.584 -0.063 0.000 1.215 151 A CA 2.101 54.159 52.037 0.035 0.000 0.648 151 A CB -1.810 17.178 19.000 -0.019 0.000 0.832 151 A HN 0.645 nan 8.150 nan 0.000 0.455 152 P HA -0.157 nan 4.420 nan 0.000 0.216 152 P C 1.363 178.607 177.300 -0.093 0.000 1.153 152 P CA 1.392 64.341 63.100 -0.253 0.000 0.858 152 P CB -0.054 31.349 31.700 -0.495 0.000 0.789 153 E N -0.868 119.273 120.200 -0.097 0.000 2.150 153 E HA -0.140 4.209 4.350 -0.003 0.000 0.193 153 E C 1.857 178.792 176.600 0.557 0.000 0.985 153 E CA 0.751 57.340 56.400 0.316 0.000 0.814 153 E CB -0.864 29.118 29.700 0.470 0.000 0.752 153 E HN 0.146 nan 8.360 nan 0.000 0.466 154 L N 0.823 122.258 121.223 0.354 0.000 2.131 154 L HA -0.111 4.227 4.340 -0.003 0.000 0.210 154 L C 2.118 179.095 176.870 0.178 0.000 1.092 154 L CA 1.254 56.175 54.840 0.133 0.000 0.759 154 L CB -0.532 41.422 42.059 -0.174 0.000 0.903 154 L HN 0.077 nan 8.230 nan 0.000 0.435 155 L N -2.121 119.198 121.223 0.161 0.000 2.141 155 L HA -0.200 4.138 4.340 -0.003 0.000 0.209 155 L C 2.372 179.389 176.870 0.244 0.000 1.094 155 L CA 0.909 55.838 54.840 0.147 0.000 0.763 155 L CB -0.645 41.466 42.059 0.086 0.000 0.908 155 L HN 0.266 nan 8.230 nan 0.000 0.437 156 F N 0.764 120.793 119.950 0.132 0.000 2.051 156 F HA -0.214 4.311 4.527 -0.003 0.000 0.296 156 F C 2.208 178.056 175.800 0.080 0.000 1.122 156 F CA 1.354 59.393 58.000 0.066 0.000 1.201 156 F CB -0.586 38.413 39.000 -0.002 0.000 0.978 156 F HN -0.121 nan 8.300 nan 0.000 0.472 157 F N 0.697 120.699 119.950 0.087 0.000 2.154 157 F HA -0.187 4.338 4.527 -0.003 0.000 0.301 157 F C 2.607 178.449 175.800 0.070 0.000 1.087 157 F CA 1.467 59.472 58.000 0.008 0.000 1.274 157 F CB -1.460 37.626 39.000 0.144 0.000 1.009 157 F HN 0.084 nan 8.300 nan 0.000 0.485 158 A N -0.723 122.293 122.820 0.326 0.000 2.015 158 A HA -0.188 4.130 4.320 -0.003 0.000 0.219 158 A C 2.225 179.910 177.584 0.169 0.000 1.163 158 A CA 1.542 53.751 52.037 0.288 0.000 0.646 158 A CB -0.613 18.534 19.000 0.245 0.000 0.806 158 A HN 0.345 nan 8.150 nan 0.000 0.448 159 K N -0.456 119.981 120.400 0.062 0.000 2.025 159 K HA -0.068 4.251 4.320 -0.003 0.000 0.207 159 K C 2.272 178.837 176.600 -0.058 0.000 1.049 159 K CA 1.172 57.462 56.287 0.005 0.000 0.933 159 K CB -0.113 32.365 32.500 -0.036 0.000 0.714 159 K HN 0.403 nan 8.250 nan 0.000 0.438 160 R N -0.895 119.486 120.500 -0.197 0.000 2.115 160 R HA -0.138 4.200 4.340 -0.003 0.000 0.226 160 R C 2.150 178.416 176.300 -0.056 0.000 1.100 160 R CA 1.172 57.144 56.100 -0.214 0.000 0.980 160 R CB -0.292 29.759 30.300 -0.414 0.000 0.875 160 R HN 0.332 nan 8.270 nan 0.000 0.445 161 Y N 2.060 122.285 120.300 -0.125 0.000 2.373 161 Y HA -0.125 4.423 4.550 -0.003 0.000 0.293 161 Y C 2.322 178.250 175.900 0.047 0.000 1.129 161 Y CA 1.283 59.311 58.100 -0.120 0.000 1.226 161 Y CB 0.091 38.281 38.460 -0.450 0.000 1.000 161 Y HN -0.148 nan 8.280 nan 0.000 0.549 162 K N 0.006 120.481 120.400 0.125 0.000 2.044 162 K HA -0.026 4.293 4.320 -0.003 0.000 0.204 162 K C 2.205 178.829 176.600 0.040 0.000 1.049 162 K CA 0.944 57.323 56.287 0.154 0.000 0.945 162 K CB -0.320 32.312 32.500 0.221 0.000 0.724 162 K HN 0.277 nan 8.250 nan 0.000 0.440 163 A N 1.007 123.823 122.820 -0.006 0.000 2.070 163 A HA -0.059 4.260 4.320 -0.003 0.000 0.220 163 A C 2.175 179.676 177.584 -0.139 0.000 1.159 163 A CA 1.645 53.653 52.037 -0.049 0.000 0.656 163 A CB -0.545 18.422 19.000 -0.054 0.000 0.800 163 A HN 0.485 nan 8.150 nan 0.000 0.453 164 A N -1.352 121.339 122.820 -0.215 0.000 1.929 164 A HA 0.139 4.457 4.320 -0.003 0.000 0.216 164 A C 1.865 179.117 177.584 -0.552 0.000 1.176 164 A CA 1.215 53.031 52.037 -0.368 0.000 0.628 164 A CB -0.529 18.196 19.000 -0.458 0.000 0.816 164 A HN 0.460 nan 8.150 nan 0.000 0.444 165 F N -0.004 119.581 119.950 -0.609 0.000 2.219 165 F HA -0.033 4.492 4.527 -0.003 0.000 0.294 165 F C 2.732 178.053 175.800 -0.798 0.000 1.086 165 F CA 1.654 59.099 58.000 -0.926 0.000 1.330 165 F CB -0.696 37.297 39.000 -1.679 0.000 1.047 165 F HN 0.091 nan 8.300 nan 0.000 0.495 166 T N -0.316 114.014 114.554 -0.374 0.000 2.622 166 T HA -0.261 4.087 4.350 -0.003 0.000 0.266 166 T C 1.829 176.503 174.700 -0.043 0.000 1.047 166 T CA 1.891 63.976 62.100 -0.025 0.000 1.159 166 T CB -0.339 68.597 68.868 0.115 0.000 0.863 166 T HN 0.347 nan 8.240 nan 0.000 0.422 167 E N 0.014 120.154 120.200 -0.099 0.000 1.999 167 E HA -0.143 4.205 4.350 -0.003 0.000 0.194 167 E C 2.341 178.865 176.600 -0.126 0.000 0.995 167 E CA 1.536 57.881 56.400 -0.091 0.000 0.825 167 E CB -0.370 29.270 29.700 -0.101 0.000 0.777 167 E HN 0.459 nan 8.360 nan 0.000 0.459 168 c N 0.784 119.259 118.600 -0.210 0.000 2.400 168 c HA -0.148 4.420 4.570 -0.003 0.000 0.291 168 c C 2.714 176.700 174.090 -0.174 0.000 1.372 168 c CA 0.421 56.619 56.329 -0.218 0.000 1.800 168 c CB -1.400 40.920 42.510 -0.316 0.000 1.869 168 c HN 0.618 nan 8.230 nan 0.000 0.533 169 c N -0.330 118.182 118.600 -0.146 0.000 2.514 169 c HA -0.031 4.537 4.570 -0.003 0.000 0.271 169 c C 2.713 176.826 174.090 0.038 0.000 1.399 169 c CA 0.515 56.824 56.329 -0.034 0.000 1.765 169 c CB -1.027 41.512 42.510 0.048 0.000 1.893 169 c HN 0.622 nan 8.230 nan 0.000 0.531 170 Q N 1.291 121.100 119.800 0.015 0.000 2.163 170 Q HA 0.181 4.520 4.340 -0.003 0.000 0.198 170 Q C 1.482 177.472 176.000 -0.017 0.000 0.954 170 Q CA 0.652 56.459 55.803 0.007 0.000 0.851 170 Q CB -0.662 28.078 28.738 0.004 0.000 0.928 170 Q HN 0.647 nan 8.270 nan 0.000 0.459 171 A N 0.957 123.755 122.820 -0.036 0.000 2.614 171 A HA 0.130 4.448 4.320 -0.003 0.000 0.231 171 A C 1.409 178.973 177.584 -0.034 0.000 1.076 171 A CA 0.821 52.833 52.037 -0.042 0.000 0.767 171 A CB 0.114 19.076 19.000 -0.062 0.000 1.012 171 A HN 0.362 nan 8.150 nan 0.000 0.512 172 A N 0.294 123.095 122.820 -0.032 0.000 1.897 172 A HA 0.040 4.358 4.320 -0.003 0.000 0.215 172 A C 1.067 178.634 177.584 -0.028 0.000 1.181 172 A CA 1.762 53.784 52.037 -0.026 0.000 0.620 172 A CB -0.087 18.900 19.000 -0.023 0.000 0.821 172 A HN 0.790 nan 8.150 nan 0.000 0.443 173 D N -0.729 119.650 120.400 -0.035 0.000 2.458 173 D HA 0.332 4.970 4.640 -0.003 0.000 0.258 173 D C 0.588 176.856 176.300 -0.054 0.000 1.134 173 D CA -0.222 53.755 54.000 -0.038 0.000 0.915 173 D CB 0.658 41.438 40.800 -0.035 0.000 1.028 173 D HN 0.309 nan 8.370 nan 0.000 0.508 174 K N 1.436 121.802 120.400 -0.057 0.000 1.973 174 K HA -0.083 4.236 4.320 -0.003 0.000 0.212 174 K C 2.069 178.610 176.600 -0.099 0.000 1.047 174 K CA 1.292 57.528 56.287 -0.084 0.000 0.937 174 K CB -0.178 32.277 32.500 -0.076 0.000 0.721 174 K HN 0.270 nan 8.250 nan 0.000 0.440 175 A N 1.520 124.295 122.820 -0.075 0.000 2.023 175 A HA -0.271 4.047 4.320 -0.003 0.000 0.223 175 A C 2.344 179.883 177.584 -0.074 0.000 1.180 175 A CA 2.304 54.299 52.037 -0.071 0.000 0.659 175 A CB -0.923 18.052 19.000 -0.042 0.000 0.817 175 A HN 0.443 nan 8.150 nan 0.000 0.466 176 A N -2.098 120.681 122.820 -0.068 0.000 2.030 176 A HA 0.051 4.369 4.320 -0.003 0.000 0.215 176 A C 2.266 179.804 177.584 -0.077 0.000 1.164 176 A CA 1.202 53.203 52.037 -0.061 0.000 0.697 176 A CB -1.060 17.913 19.000 -0.046 0.000 0.827 176 A HN 0.803 nan 8.150 nan 0.000 0.457 177 c N -1.020 117.522 118.600 -0.098 0.000 2.543 177 c HA 0.047 4.616 4.570 -0.003 0.000 0.281 177 c C 2.386 176.382 174.090 -0.157 0.000 1.276 177 c CA 1.293 57.552 56.329 -0.116 0.000 1.700 177 c CB -1.150 41.284 42.510 -0.126 0.000 2.093 177 c HN 0.527 nan 8.230 nan 0.000 0.488 178 L N 0.946 122.045 121.223 -0.207 0.000 2.005 178 L HA 0.006 4.344 4.340 -0.003 0.000 0.207 178 L C 2.444 179.178 176.870 -0.228 0.000 1.072 178 L CA 1.834 56.496 54.840 -0.298 0.000 0.744 178 L CB -0.942 40.874 42.059 -0.404 0.000 0.895 178 L HN 0.379 nan 8.230 nan 0.000 0.433 179 L N 0.416 121.549 121.223 -0.150 0.000 2.013 179 L HA -0.181 4.157 4.340 -0.003 0.000 0.212 179 L C -0.168 176.661 176.870 -0.067 0.000 1.073 179 L CA 2.122 56.906 54.840 -0.092 0.000 0.753 179 L CB -2.349 39.678 42.059 -0.054 0.000 0.890 179 L HN 0.317 nan 8.230 nan 0.000 0.432 180 P HA -0.161 nan 4.420 nan 0.000 0.222 180 P C 1.248 178.522 177.300 -0.042 0.000 1.147 180 P CA 1.388 64.464 63.100 -0.040 0.000 0.790 180 P CB 0.046 31.722 31.700 -0.040 0.000 0.780 181 K N -0.200 120.149 120.400 -0.084 0.000 2.044 181 K HA 0.062 4.380 4.320 -0.003 0.000 0.204 181 K C 2.271 178.844 176.600 -0.045 0.000 1.049 181 K CA 0.788 57.021 56.287 -0.090 0.000 0.945 181 K CB -0.498 31.900 32.500 -0.170 0.000 0.724 181 K HN 0.091 nan 8.250 nan 0.000 0.440 182 L N 1.187 122.376 121.223 -0.057 0.000 2.265 182 L HA -0.205 4.133 4.340 -0.003 0.000 0.215 182 L C 1.649 178.573 176.870 0.091 0.000 1.117 182 L CA 0.992 55.859 54.840 0.046 0.000 0.782 182 L CB -0.374 41.713 42.059 0.047 0.000 0.914 182 L HN 0.276 nan 8.230 nan 0.000 0.441 183 D N -0.341 120.090 120.400 0.052 0.000 2.194 183 D HA -0.155 4.484 4.640 -0.003 0.000 0.204 183 D C 1.958 178.309 176.300 0.084 0.000 0.964 183 D CA 0.852 54.893 54.000 0.069 0.000 0.846 183 D CB 0.313 41.140 40.800 0.044 0.000 0.962 183 D HN 0.412 nan 8.370 nan 0.000 0.490 184 E N 0.681 120.923 120.200 0.069 0.000 2.046 184 E HA -0.082 4.267 4.350 -0.003 0.000 0.190 184 E C 2.455 179.138 176.600 0.138 0.000 0.982 184 E CA 0.241 56.691 56.400 0.082 0.000 0.800 184 E CB 0.130 29.858 29.700 0.046 0.000 0.756 184 E HN 0.165 nan 8.360 nan 0.000 0.449 185 L N 0.797 122.112 121.223 0.154 0.000 1.989 185 L HA -0.212 4.126 4.340 -0.003 0.000 0.211 185 L C 2.940 179.996 176.870 0.310 0.000 1.071 185 L CA 1.189 56.190 54.840 0.269 0.000 0.749 185 L CB -0.573 41.653 42.059 0.278 0.000 0.890 185 L HN 0.178 nan 8.230 nan 0.000 0.431 186 R N 0.525 121.164 120.500 0.232 0.000 2.105 186 R HA -0.223 4.115 4.340 -0.003 0.000 0.239 186 R C 1.542 177.940 176.300 0.164 0.000 1.135 186 R CA 2.266 58.480 56.100 0.190 0.000 0.967 186 R CB -0.424 29.974 30.300 0.163 0.000 0.861 186 R HN 0.411 nan 8.270 nan 0.000 0.442 187 D N -0.393 120.105 120.400 0.164 0.000 2.137 187 D HA -0.103 4.536 4.640 -0.003 0.000 0.202 187 D C 1.712 178.117 176.300 0.174 0.000 0.970 187 D CA 1.003 55.091 54.000 0.146 0.000 0.837 187 D CB 0.089 40.964 40.800 0.124 0.000 0.981 187 D HN 0.340 nan 8.370 nan 0.000 0.475 188 E N -0.381 119.965 120.200 0.243 0.000 2.427 188 E HA -0.036 4.313 4.350 -0.003 0.000 0.196 188 E C 1.877 178.733 176.600 0.427 0.000 1.028 188 E CA 0.562 57.160 56.400 0.330 0.000 0.864 188 E CB 0.093 30.007 29.700 0.357 0.000 0.813 188 E HN 0.292 nan 8.360 nan 0.000 0.514 189 G N 1.202 110.190 108.800 0.312 0.000 2.395 189 G HA2 -0.200 3.758 3.960 -0.003 0.000 0.214 189 G HA3 -0.200 3.758 3.960 -0.003 0.000 0.214 189 G C 1.526 176.421 174.900 -0.008 0.000 1.177 189 G CA 0.321 45.430 45.100 0.015 0.000 0.794 189 G HN 0.118 nan 8.290 nan 0.000 0.532 190 K N 0.582 120.997 120.400 0.025 0.000 2.057 190 K HA 0.019 4.337 4.320 -0.003 0.000 0.207 190 K C 2.899 179.504 176.600 0.008 0.000 1.049 190 K CA 1.019 57.314 56.287 0.013 0.000 0.931 190 K CB -0.192 32.367 32.500 0.099 0.000 0.714 190 K HN 0.259 nan 8.250 nan 0.000 0.440 191 A N 0.799 123.657 122.820 0.062 0.000 1.902 191 A HA -0.193 4.125 4.320 -0.003 0.000 0.217 191 A C 2.198 179.786 177.584 0.005 0.000 1.181 191 A CA 2.054 54.136 52.037 0.076 0.000 0.623 191 A CB -0.708 18.375 19.000 0.139 0.000 0.818 191 A HN 0.297 nan 8.150 nan 0.000 0.443 192 S N -0.640 115.038 115.700 -0.038 0.000 2.356 192 S HA -0.167 4.301 4.470 -0.003 0.000 0.223 192 S C 2.343 176.679 174.600 -0.440 0.000 1.032 192 S CA 2.036 60.130 58.200 -0.176 0.000 1.005 192 S CB -0.516 62.547 63.200 -0.228 0.000 0.867 192 S HN 0.628 nan 8.310 nan 0.000 0.449 193 S N 0.756 116.095 115.700 -0.602 0.000 2.359 193 S HA -0.058 4.410 4.470 -0.003 0.000 0.224 193 S C 2.111 176.594 174.600 -0.194 0.000 1.035 193 S CA 1.561 59.467 58.200 -0.490 0.000 1.018 193 S CB -0.889 62.170 63.200 -0.233 0.000 0.876 193 S HN 0.725 nan 8.310 nan 0.000 0.448 194 A N 1.062 123.813 122.820 -0.115 0.000 1.908 194 A HA -0.109 4.210 4.320 -0.003 0.000 0.218 194 A C 2.176 179.684 177.584 -0.126 0.000 1.181 194 A CA 1.746 53.731 52.037 -0.088 0.000 0.627 194 A CB -0.594 18.371 19.000 -0.058 0.000 0.818 194 A HN 0.616 nan 8.150 nan 0.000 0.445 195 K N -1.252 119.075 120.400 -0.123 0.000 2.057 195 K HA -0.179 4.140 4.320 -0.003 0.000 0.206 195 K C 2.415 178.893 176.600 -0.205 0.000 1.050 195 K CA 1.569 57.776 56.287 -0.135 0.000 0.935 195 K CB -0.114 32.345 32.500 -0.068 0.000 0.715 195 K HN 0.458 nan 8.250 nan 0.000 0.439 196 Q N 1.094 120.765 119.800 -0.215 0.000 2.079 196 Q HA -0.152 4.186 4.340 -0.003 0.000 0.200 196 Q C 1.912 177.797 176.000 -0.192 0.000 0.974 196 Q CA 1.525 57.189 55.803 -0.231 0.000 0.840 196 Q CB -0.106 28.521 28.738 -0.185 0.000 0.898 196 Q HN 0.006 nan 8.270 nan 0.000 0.430 197 R N -0.293 120.109 120.500 -0.163 0.000 2.127 197 R HA -0.123 4.216 4.340 -0.003 0.000 0.238 197 R C 1.962 178.122 176.300 -0.233 0.000 1.134 197 R CA 1.292 57.265 56.100 -0.212 0.000 0.975 197 R CB -0.790 29.394 30.300 -0.194 0.000 0.865 197 R HN 0.419 nan 8.270 nan 0.000 0.447 198 L N 0.355 121.444 121.223 -0.224 0.000 2.156 198 L HA -0.044 4.295 4.340 -0.003 0.000 0.208 198 L C 1.616 178.327 176.870 -0.265 0.000 1.095 198 L CA 1.752 56.452 54.840 -0.234 0.000 0.770 198 L CB -0.170 41.737 42.059 -0.253 0.000 0.914 198 L HN 0.085 nan 8.230 nan 0.000 0.439 199 K N -1.446 118.771 120.400 -0.306 0.000 2.062 199 K HA -0.119 4.200 4.320 -0.003 0.000 0.205 199 K C 2.114 178.582 176.600 -0.220 0.000 1.051 199 K CA 1.541 57.651 56.287 -0.294 0.000 0.941 199 K CB -0.464 31.766 32.500 -0.451 0.000 0.719 199 K HN 0.399 nan 8.250 nan 0.000 0.440 200 c N 0.742 119.232 118.600 -0.183 0.000 2.425 200 c HA -0.047 4.522 4.570 -0.003 0.000 0.277 200 c C 2.862 176.905 174.090 -0.078 0.000 1.280 200 c CA 0.807 57.078 56.329 -0.096 0.000 1.744 200 c CB -0.834 41.676 42.510 -0.000 0.000 1.989 200 c HN 0.527 nan 8.230 nan 0.000 0.491 201 A N 0.462 123.216 122.820 -0.109 0.000 2.015 201 A HA -0.083 4.236 4.320 -0.003 0.000 0.219 201 A C 2.190 179.830 177.584 0.093 0.000 1.163 201 A CA 1.958 53.971 52.037 -0.040 0.000 0.646 201 A CB -0.485 18.479 19.000 -0.061 0.000 0.806 201 A HN 0.575 nan 8.150 nan 0.000 0.448 202 S N 0.206 115.941 115.700 0.058 0.000 2.335 202 S HA -0.094 4.374 4.470 -0.003 0.000 0.216 202 S C 1.837 176.542 174.600 0.175 0.000 1.032 202 S CA 1.351 59.643 58.200 0.153 0.000 1.000 202 S CB -0.615 62.642 63.200 0.096 0.000 0.928 202 S HN 0.502 nan 8.310 nan 0.000 0.434 203 L N 1.603 122.858 121.223 0.053 0.000 1.941 203 L HA -0.293 4.045 4.340 -0.003 0.000 0.224 203 L C 2.892 179.781 176.870 0.032 0.000 1.081 203 L CA 1.779 56.625 54.840 0.010 0.000 0.784 203 L CB -0.845 41.151 42.059 -0.104 0.000 0.894 203 L HN 0.392 nan 8.230 nan 0.000 0.436 204 Q N -0.569 119.240 119.800 0.015 0.000 2.135 204 Q HA -0.209 4.130 4.340 -0.003 0.000 0.204 204 Q C 2.094 178.070 176.000 -0.041 0.000 0.981 204 Q CA 1.251 57.057 55.803 0.006 0.000 0.856 204 Q CB -0.078 28.678 28.738 0.030 0.000 0.902 204 Q HN 0.401 nan 8.270 nan 0.000 0.425 205 K N -0.406 119.952 120.400 -0.071 0.000 2.214 205 K HA 0.070 4.389 4.320 -0.003 0.000 0.201 205 K C 1.684 178.002 176.600 -0.469 0.000 1.049 205 K CA 0.845 56.959 56.287 -0.290 0.000 0.978 205 K CB 0.028 32.288 32.500 -0.401 0.000 0.842 205 K HN 0.168 nan 8.250 nan 0.000 0.474 206 F N 0.497 120.448 119.950 0.001 0.000 2.582 206 F HA 0.276 4.801 4.527 -0.003 0.000 0.290 206 F C 1.122 176.940 175.800 0.030 0.000 1.115 206 F CA 0.543 58.552 58.000 0.015 0.000 1.445 206 F CB 0.421 39.431 39.000 0.017 0.000 1.126 206 F HN 0.159 nan 8.300 nan 0.000 0.574 207 G N 0.752 109.655 108.800 0.171 0.000 2.515 207 G HA2 -0.151 3.808 3.960 -0.003 0.000 0.686 207 G HA3 -0.151 3.808 3.960 -0.003 0.000 0.686 207 G C 0.375 175.365 174.900 0.150 0.000 1.274 207 G CA -0.210 44.965 45.100 0.125 0.000 0.874 207 G HN 0.338 nan 8.290 nan 0.000 0.631 208 E N 0.126 120.397 120.200 0.118 0.000 2.204 208 E HA -0.132 4.216 4.350 -0.003 0.000 0.194 208 E C 2.142 178.863 176.600 0.201 0.000 0.989 208 E CA 1.270 57.762 56.400 0.153 0.000 0.824 208 E CB 0.013 29.775 29.700 0.103 0.000 0.756 208 E HN 0.608 nan 8.360 nan 0.000 0.477 209 R N 0.551 121.149 120.500 0.162 0.000 2.096 209 R HA -0.100 4.238 4.340 -0.003 0.000 0.235 209 R C 2.296 178.699 176.300 0.172 0.000 1.127 209 R CA 1.390 57.584 56.100 0.157 0.000 0.968 209 R CB -0.371 30.008 30.300 0.131 0.000 0.861 209 R HN 0.292 nan 8.270 nan 0.000 0.440 210 A N 0.460 123.390 122.820 0.184 0.000 1.858 210 A HA -0.204 4.114 4.320 -0.003 0.000 0.216 210 A C 2.009 179.709 177.584 0.192 0.000 1.190 210 A CA 1.409 53.547 52.037 0.168 0.000 0.617 210 A CB -0.868 18.247 19.000 0.192 0.000 0.827 210 A HN 0.523 nan 8.150 nan 0.000 0.443 211 F N 0.745 120.745 119.950 0.083 0.000 2.134 211 F HA -0.134 4.391 4.527 -0.003 0.000 0.299 211 F C 2.185 178.091 175.800 0.177 0.000 1.097 211 F CA 2.078 60.128 58.000 0.082 0.000 1.264 211 F CB -0.161 38.863 39.000 0.039 0.000 1.001 211 F HN 0.123 nan 8.300 nan 0.000 0.479 212 K N 0.198 120.745 120.400 0.245 0.000 2.032 212 K HA -0.198 4.120 4.320 -0.003 0.000 0.209 212 K C 2.317 178.961 176.600 0.073 0.000 1.048 212 K CA 1.382 57.759 56.287 0.150 0.000 0.927 212 K CB -0.679 31.931 32.500 0.185 0.000 0.712 212 K HN 0.359 nan 8.250 nan 0.000 0.441 213 A N 0.673 123.553 122.820 0.100 0.000 1.908 213 A HA -0.211 4.107 4.320 -0.003 0.000 0.218 213 A C 1.943 179.550 177.584 0.038 0.000 1.181 213 A CA 1.487 53.572 52.037 0.080 0.000 0.627 213 A CB -0.898 18.154 19.000 0.087 0.000 0.818 213 A HN 0.638 nan 8.150 nan 0.000 0.445 214 W N 0.357 121.549 121.300 -0.180 0.000 2.381 214 W HA -0.022 4.636 4.660 -0.003 0.000 0.301 214 W C 2.407 178.748 176.519 -0.297 0.000 1.205 214 W CA 1.945 59.143 57.345 -0.245 0.000 1.285 214 W CB -0.047 29.230 29.460 -0.305 0.000 1.133 214 W HN 0.336 nan 8.180 nan 0.000 0.521 215 A N -0.248 122.526 122.820 -0.076 0.000 1.930 215 A HA -0.134 4.184 4.320 -0.003 0.000 0.217 215 A C 1.963 179.431 177.584 -0.192 0.000 1.175 215 A CA 1.942 53.874 52.037 -0.175 0.000 0.627 215 A CB -1.160 17.763 19.000 -0.128 0.000 0.815 215 A HN 0.182 nan 8.150 nan 0.000 0.443 216 V N -0.080 119.775 119.914 -0.099 0.000 2.237 216 V HA -0.277 3.841 4.120 -0.003 0.000 0.245 216 V C 3.097 179.139 176.094 -0.087 0.000 1.046 216 V CA 2.094 64.378 62.300 -0.026 0.000 1.007 216 V CB -1.295 30.576 31.823 0.080 0.000 0.638 216 V HN 0.626 nan 8.190 nan 0.000 0.445 217 A N 0.158 122.879 122.820 -0.165 0.000 1.859 217 A HA -0.335 3.984 4.320 -0.003 0.000 0.217 217 A C 2.280 179.658 177.584 -0.343 0.000 1.198 217 A CA 2.666 54.564 52.037 -0.231 0.000 0.629 217 A CB -0.680 18.148 19.000 -0.286 0.000 0.830 217 A HN 0.467 nan 8.150 nan 0.000 0.446 218 R N 0.035 120.184 120.500 -0.585 0.000 2.080 218 R HA -0.076 4.263 4.340 -0.003 0.000 0.236 218 R C 2.018 178.031 176.300 -0.479 0.000 1.137 218 R CA 2.058 57.749 56.100 -0.682 0.000 0.943 218 R CB -0.984 28.580 30.300 -1.228 0.000 0.846 218 R HN 0.545 nan 8.270 nan 0.000 0.431 219 L N -0.196 120.789 121.223 -0.397 0.000 2.046 219 L HA -0.137 4.201 4.340 -0.003 0.000 0.208 219 L C 2.294 178.973 176.870 -0.318 0.000 1.077 219 L CA 1.689 56.280 54.840 -0.415 0.000 0.747 219 L CB -0.566 41.380 42.059 -0.189 0.000 0.896 219 L HN 0.215 nan 8.230 nan 0.000 0.432 220 S N -0.505 115.131 115.700 -0.106 0.000 2.402 220 S HA -0.264 4.205 4.470 -0.003 0.000 0.233 220 S C 1.905 176.447 174.600 -0.096 0.000 1.030 220 S CA 1.339 59.559 58.200 0.034 0.000 1.003 220 S CB -0.260 63.008 63.200 0.113 0.000 0.813 220 S HN 0.475 nan 8.310 nan 0.000 0.477 221 Q N 0.083 119.764 119.800 -0.199 0.000 2.187 221 Q HA 0.061 4.400 4.340 -0.003 0.000 0.199 221 Q C 2.404 178.278 176.000 -0.210 0.000 0.957 221 Q CA 0.658 56.340 55.803 -0.201 0.000 0.857 221 Q CB -0.037 28.569 28.738 -0.220 0.000 0.929 221 Q HN 0.421 nan 8.270 nan 0.000 0.453 222 R N -0.438 119.861 120.500 -0.335 0.000 2.127 222 R HA -0.012 4.326 4.340 -0.003 0.000 0.217 222 R C -0.193 175.964 176.300 -0.238 0.000 1.074 222 R CA 0.628 56.476 56.100 -0.420 0.000 0.991 222 R CB 0.495 30.339 30.300 -0.759 0.000 0.895 222 R HN 0.044 nan 8.270 nan 0.000 0.450 223 F N 0.915 120.855 119.950 -0.016 0.000 2.542 223 F HA 0.376 4.902 4.527 -0.002 0.000 0.323 223 F C -1.836 173.983 175.800 0.031 0.000 1.411 223 F CA -3.315 54.690 58.000 0.008 0.000 1.124 223 F CB 1.489 40.504 39.000 0.025 0.000 1.331 223 F HN -0.073 nan 8.300 nan 0.000 0.560 224 P HA -0.178 nan 4.420 nan 0.000 0.223 224 P C 0.908 178.260 177.300 0.087 0.000 1.144 224 P CA 1.386 64.518 63.100 0.053 0.000 0.783 224 P CB 0.370 32.047 31.700 -0.038 0.000 0.771 225 K N -0.572 119.894 120.400 0.110 0.000 2.361 225 K HA 0.205 4.524 4.320 -0.003 0.000 0.196 225 K C 1.230 177.905 176.600 0.124 0.000 1.039 225 K CA -0.061 56.279 56.287 0.088 0.000 1.001 225 K CB 0.041 32.570 32.500 0.049 0.000 0.795 225 K HN 0.075 nan 8.250 nan 0.000 0.495 226 A N 2.129 125.054 122.820 0.174 0.000 2.445 226 A HA 0.050 4.368 4.320 -0.003 0.000 0.242 226 A C -0.012 177.691 177.584 0.198 0.000 1.075 226 A CA -0.143 51.986 52.037 0.153 0.000 0.777 226 A CB 0.253 19.351 19.000 0.163 0.000 1.013 226 A HN 0.151 nan 8.150 nan 0.000 0.493 227 E N 0.022 120.283 120.200 0.101 0.000 2.371 227 E HA 0.157 4.506 4.350 -0.003 0.000 0.257 227 E C 0.261 176.786 176.600 -0.125 0.000 1.134 227 E CA -0.361 56.084 56.400 0.075 0.000 0.919 227 E CB 0.431 30.162 29.700 0.052 0.000 1.025 227 E HN 0.639 nan 8.360 nan 0.000 0.438 228 F N 2.019 121.713 119.950 -0.427 0.000 2.095 228 F HA -0.218 4.307 4.527 -0.003 0.000 0.298 228 F C 2.011 177.640 175.800 -0.285 0.000 1.104 228 F CA 1.976 59.574 58.000 -0.670 0.000 1.232 228 F CB -0.557 38.152 39.000 -0.484 0.000 0.987 228 F HN 0.571 nan 8.300 nan 0.000 0.475 229 A N -0.541 122.133 122.820 -0.244 0.000 1.940 229 A HA -0.235 4.084 4.320 -0.003 0.000 0.219 229 A C 2.091 179.554 177.584 -0.203 0.000 1.176 229 A CA 1.936 53.838 52.037 -0.224 0.000 0.631 229 A CB -0.834 18.132 19.000 -0.056 0.000 0.814 229 A HN 0.462 nan 8.150 nan 0.000 0.446 230 E N -0.107 120.013 120.200 -0.132 0.000 2.008 230 E HA -0.091 4.257 4.350 -0.003 0.000 0.191 230 E C 1.919 178.474 176.600 -0.076 0.000 0.986 230 E CA 1.513 57.886 56.400 -0.045 0.000 0.807 230 E CB -0.619 29.085 29.700 0.007 0.000 0.766 230 E HN 0.176 nan 8.360 nan 0.000 0.450 231 V N 0.717 120.564 119.914 -0.112 0.000 2.317 231 V HA -0.337 3.781 4.120 -0.003 0.000 0.251 231 V C 2.409 178.393 176.094 -0.182 0.000 1.065 231 V CA 2.174 64.425 62.300 -0.081 0.000 1.049 231 V CB -0.808 30.966 31.823 -0.081 0.000 0.651 231 V HN 0.238 nan 8.190 nan 0.000 0.450 232 S N -0.802 114.649 115.700 -0.414 0.000 2.368 232 S HA -0.228 4.240 4.470 -0.003 0.000 0.225 232 S C 2.094 176.583 174.600 -0.185 0.000 1.030 232 S CA 1.589 59.556 58.200 -0.388 0.000 0.999 232 S CB -0.348 62.491 63.200 -0.602 0.000 0.844 232 S HN 0.523 nan 8.310 nan 0.000 0.459 233 K N 1.556 121.859 120.400 -0.162 0.000 2.026 233 K HA -0.038 4.281 4.320 -0.003 0.000 0.208 233 K C 1.986 178.533 176.600 -0.088 0.000 1.048 233 K CA 1.245 57.456 56.287 -0.126 0.000 0.929 233 K CB -0.597 31.814 32.500 -0.148 0.000 0.713 233 K HN 0.368 nan 8.250 nan 0.000 0.439 234 L N 0.605 121.811 121.223 -0.028 0.000 2.046 234 L HA -0.163 4.175 4.340 -0.003 0.000 0.208 234 L C 2.571 179.488 176.870 0.077 0.000 1.077 234 L CA 0.774 55.647 54.840 0.054 0.000 0.747 234 L CB -0.484 41.671 42.059 0.159 0.000 0.896 234 L HN -0.085 nan 8.230 nan 0.000 0.432 235 V N -0.455 119.491 119.914 0.054 0.000 2.343 235 V HA -0.288 3.830 4.120 -0.003 0.000 0.247 235 V C 2.567 178.731 176.094 0.117 0.000 1.051 235 V CA 2.343 64.694 62.300 0.086 0.000 1.036 235 V CB -0.719 31.122 31.823 0.031 0.000 0.654 235 V HN 0.483 nan 8.190 nan 0.000 0.451 236 T N -0.346 114.240 114.554 0.054 0.000 2.788 236 T HA -0.171 4.178 4.350 -0.003 0.000 0.268 236 T C 1.579 176.319 174.700 0.067 0.000 1.044 236 T CA 1.681 63.815 62.100 0.056 0.000 1.139 236 T CB -0.304 68.564 68.868 -0.000 0.000 0.867 236 T HN 0.522 nan 8.240 nan 0.000 0.454 237 D N 0.641 121.068 120.400 0.045 0.000 2.213 237 D HA 0.049 4.688 4.640 -0.003 0.000 0.205 237 D C 2.013 178.368 176.300 0.093 0.000 0.961 237 D CA 0.255 54.279 54.000 0.041 0.000 0.853 237 D CB -0.357 40.442 40.800 -0.002 0.000 0.967 237 D HN 0.183 nan 8.370 nan 0.000 0.496 238 L N 1.182 122.501 121.223 0.160 0.000 2.017 238 L HA -0.140 4.198 4.340 -0.003 0.000 0.208 238 L C 2.161 179.223 176.870 0.320 0.000 1.073 238 L CA 1.784 56.776 54.840 0.252 0.000 0.745 238 L CB -1.057 41.204 42.059 0.337 0.000 0.894 238 L HN -0.072 nan 8.230 nan 0.000 0.432 239 T N -0.282 114.507 114.554 0.392 0.000 2.607 239 T HA -0.311 4.038 4.350 -0.003 0.000 0.267 239 T C 1.877 176.614 174.700 0.062 0.000 1.049 239 T CA 2.060 64.346 62.100 0.310 0.000 1.162 239 T CB -0.293 68.767 68.868 0.321 0.000 0.863 239 T HN 0.351 nan 8.240 nan 0.000 0.424 240 K N 0.603 121.043 120.400 0.066 0.000 2.074 240 K HA -0.133 4.185 4.320 -0.003 0.000 0.209 240 K C 2.177 178.776 176.600 -0.001 0.000 1.048 240 K CA 1.323 57.626 56.287 0.026 0.000 0.926 240 K CB -0.432 32.087 32.500 0.031 0.000 0.713 240 K HN 0.148 nan 8.250 nan 0.000 0.444 241 V N 1.078 120.979 119.914 -0.022 0.000 2.332 241 V HA -0.258 3.860 4.120 -0.003 0.000 0.248 241 V C 2.274 178.252 176.094 -0.193 0.000 1.055 241 V CA 1.949 64.190 62.300 -0.098 0.000 1.038 241 V CB -0.638 31.101 31.823 -0.141 0.000 0.651 241 V HN 0.464 nan 8.190 nan 0.000 0.450 242 H N -0.656 118.385 119.070 -0.048 0.000 2.470 242 H HA -0.037 4.518 4.556 -0.003 0.000 0.289 242 H C 2.478 177.714 175.328 -0.154 0.000 1.033 242 H CA 1.596 57.541 56.048 -0.172 0.000 1.331 242 H CB -0.310 29.213 29.762 -0.398 0.000 1.414 242 H HN 0.382 nan 8.280 nan 0.000 0.545 243 T N 1.167 115.687 114.554 -0.057 0.000 2.720 243 T HA -0.128 4.220 4.350 -0.003 0.000 0.268 243 T C 1.841 176.588 174.700 0.078 0.000 1.037 243 T CA 1.392 63.477 62.100 -0.024 0.000 1.144 243 T CB 0.028 68.877 68.868 -0.032 0.000 0.864 243 T HN 0.540 nan 8.240 nan 0.000 0.444 244 E N 0.119 120.368 120.200 0.081 0.000 2.028 244 E HA -0.111 4.237 4.350 -0.003 0.000 0.191 244 E C 2.560 179.245 176.600 0.142 0.000 0.988 244 E CA 1.111 57.589 56.400 0.130 0.000 0.799 244 E CB -0.392 29.358 29.700 0.084 0.000 0.755 244 E HN 0.417 nan 8.360 nan 0.000 0.447 245 c N 0.688 119.364 118.600 0.125 0.000 2.429 245 c HA -0.123 4.445 4.570 -0.003 0.000 0.277 245 c C 2.917 177.094 174.090 0.146 0.000 1.262 245 c CA 0.400 56.823 56.329 0.156 0.000 1.733 245 c CB -0.736 41.942 42.510 0.279 0.000 2.010 245 c HN 0.591 nan 8.230 nan 0.000 0.483 246 c N -1.276 117.414 118.600 0.150 0.000 2.456 246 c HA -0.076 4.493 4.570 -0.003 0.000 0.279 246 c C 2.246 176.467 174.090 0.219 0.000 1.427 246 c CA 0.696 57.130 56.329 0.176 0.000 1.778 246 c CB -1.946 40.637 42.510 0.122 0.000 1.842 246 c HN 0.725 nan 8.230 nan 0.000 0.531 247 H N -0.553 118.583 119.070 0.109 0.000 2.586 247 H HA 0.220 4.774 4.556 -0.003 0.000 0.273 247 H C 1.632 177.087 175.328 0.211 0.000 0.997 247 H CA 0.773 56.906 56.048 0.142 0.000 1.177 247 H CB 0.111 29.951 29.762 0.130 0.000 1.471 247 H HN 0.458 nan 8.280 nan 0.000 0.538 248 G N 1.568 110.414 108.800 0.076 0.000 2.176 248 G HA2 -0.201 3.757 3.960 -0.003 0.000 0.232 248 G HA3 -0.201 3.757 3.960 -0.003 0.000 0.232 248 G C -0.347 174.633 174.900 0.133 0.000 0.986 248 G CA 0.174 45.303 45.100 0.049 0.000 0.643 248 G HN 0.461 nan 8.290 nan 0.000 0.522 249 D N 1.398 121.875 120.400 0.127 0.000 2.631 249 D HA 0.381 5.020 4.640 -0.003 0.000 0.227 249 D C 2.000 178.316 176.300 0.026 0.000 1.146 249 D CA -0.253 53.780 54.000 0.055 0.000 1.009 249 D CB 0.166 41.041 40.800 0.125 0.000 1.057 249 D HN 0.399 nan 8.370 nan 0.000 0.509 250 L N -0.408 120.811 121.223 -0.006 0.000 2.131 250 L HA -0.005 4.334 4.340 -0.003 0.000 0.206 250 L C 2.335 179.180 176.870 -0.042 0.000 1.087 250 L CA 0.394 55.220 54.840 -0.023 0.000 0.767 250 L CB -0.196 41.823 42.059 -0.066 0.000 0.917 250 L HN 0.227 nan 8.230 nan 0.000 0.441 251 L N 0.474 121.665 121.223 -0.053 0.000 2.083 251 L HA -0.167 4.171 4.340 -0.003 0.000 0.209 251 L C 2.879 179.733 176.870 -0.027 0.000 1.083 251 L CA 1.273 56.080 54.840 -0.055 0.000 0.752 251 L CB -0.556 41.477 42.059 -0.044 0.000 0.899 251 L HN 0.455 nan 8.230 nan 0.000 0.433 252 E N -0.445 119.746 120.200 -0.015 0.000 2.158 252 E HA -0.194 4.155 4.350 -0.003 0.000 0.191 252 E C 2.331 178.941 176.600 0.016 0.000 0.982 252 E CA 1.189 57.593 56.400 0.008 0.000 0.823 252 E CB -0.984 28.730 29.700 0.023 0.000 0.766 252 E HN 0.501 nan 8.360 nan 0.000 0.468 253 c N 1.938 120.550 118.600 0.020 0.000 2.413 253 c HA 0.012 4.581 4.570 -0.003 0.000 0.277 253 c C 3.067 177.164 174.090 0.012 0.000 1.228 253 c CA 1.763 58.112 56.329 0.034 0.000 1.731 253 c CB -1.052 41.497 42.510 0.064 0.000 2.042 253 c HN 0.536 nan 8.230 nan 0.000 0.468 254 A N -0.063 122.747 122.820 -0.018 0.000 1.883 254 A HA -0.204 4.114 4.320 -0.003 0.000 0.217 254 A C 2.057 179.626 177.584 -0.025 0.000 1.186 254 A CA 2.304 54.314 52.037 -0.044 0.000 0.624 254 A CB -1.037 17.927 19.000 -0.060 0.000 0.822 254 A HN 0.699 nan 8.150 nan 0.000 0.444 255 D N -0.080 120.308 120.400 -0.019 0.000 2.123 255 D HA -0.145 4.494 4.640 -0.003 0.000 0.196 255 D C 1.135 177.439 176.300 0.007 0.000 0.992 255 D CA 1.465 55.455 54.000 -0.017 0.000 0.833 255 D CB -0.219 40.561 40.800 -0.033 0.000 0.954 255 D HN 0.390 nan 8.370 nan 0.000 0.455 256 D N -0.552 119.858 120.400 0.017 0.000 2.234 256 D HA -0.067 4.572 4.640 -0.003 0.000 0.205 256 D C 2.052 178.371 176.300 0.032 0.000 0.962 256 D CA 0.251 54.268 54.000 0.028 0.000 0.855 256 D CB -0.118 40.699 40.800 0.029 0.000 0.951 256 D HN 0.261 nan 8.370 nan 0.000 0.500 257 R N 0.779 121.296 120.500 0.027 0.000 2.115 257 R HA 0.003 4.341 4.340 -0.003 0.000 0.226 257 R C 2.003 178.326 176.300 0.038 0.000 1.100 257 R CA 1.081 57.206 56.100 0.041 0.000 0.980 257 R CB 0.013 30.329 30.300 0.028 0.000 0.875 257 R HN 0.042 nan 8.270 nan 0.000 0.445 258 A N 1.047 123.879 122.820 0.020 0.000 1.933 258 A HA -0.161 4.157 4.320 -0.003 0.000 0.218 258 A C 1.558 179.166 177.584 0.040 0.000 1.175 258 A CA 1.746 53.796 52.037 0.022 0.000 0.628 258 A CB -0.345 18.659 19.000 0.008 0.000 0.814 258 A HN 0.344 nan 8.150 nan 0.000 0.444 259 D N -0.673 119.754 120.400 0.045 0.000 2.183 259 D HA -0.070 4.568 4.640 -0.003 0.000 0.203 259 D C 1.839 178.192 176.300 0.089 0.000 0.969 259 D CA 1.056 55.092 54.000 0.061 0.000 0.842 259 D CB -0.167 40.664 40.800 0.052 0.000 0.957 259 D HN 0.398 nan 8.370 nan 0.000 0.484 260 L N 0.829 122.103 121.223 0.085 0.000 2.109 260 L HA 0.064 4.403 4.340 -0.003 0.000 0.207 260 L C 2.081 179.037 176.870 0.142 0.000 1.086 260 L CA 1.442 56.354 54.840 0.120 0.000 0.760 260 L CB -0.556 41.562 42.059 0.099 0.000 0.910 260 L HN -0.079 nan 8.230 nan 0.000 0.437 261 A N -0.181 122.699 122.820 0.100 0.000 1.933 261 A HA -0.256 4.063 4.320 -0.003 0.000 0.218 261 A C 2.449 180.072 177.584 0.065 0.000 1.175 261 A CA 1.976 54.060 52.037 0.079 0.000 0.628 261 A CB -0.641 18.391 19.000 0.053 0.000 0.814 261 A HN 0.550 nan 8.150 nan 0.000 0.444 262 K N -1.631 118.812 120.400 0.072 0.000 2.002 262 K HA -0.221 4.097 4.320 -0.003 0.000 0.209 262 K C 1.992 178.632 176.600 0.066 0.000 1.048 262 K CA 1.801 58.122 56.287 0.057 0.000 0.930 262 K CB -0.486 32.051 32.500 0.062 0.000 0.714 262 K HN 0.463 nan 8.250 nan 0.000 0.438 263 Y N 1.849 122.149 120.300 0.000 0.000 2.081 263 Y HA -0.267 4.281 4.550 -0.003 0.000 0.280 263 Y C 1.925 177.810 175.900 -0.026 0.000 1.163 263 Y CA 1.950 60.045 58.100 -0.009 0.000 1.135 263 Y CB -0.400 38.059 38.460 -0.002 0.000 0.970 263 Y HN 0.066 nan 8.280 nan 0.000 0.498 264 I N -0.685 119.915 120.570 0.050 0.000 2.087 264 I HA -0.493 3.675 4.170 -0.003 0.000 0.240 264 I C 2.610 178.605 176.117 -0.204 0.000 1.054 264 I CA 1.871 63.113 61.300 -0.096 0.000 1.311 264 I CB -0.894 37.121 38.000 0.025 0.000 1.024 264 I HN 0.386 nan 8.210 nan 0.000 0.402 265 c N 0.371 118.904 118.600 -0.113 0.000 2.413 265 c HA -0.187 4.381 4.570 -0.003 0.000 0.276 265 c C 2.659 176.660 174.090 -0.149 0.000 1.248 265 c CA 0.949 57.213 56.329 -0.109 0.000 1.742 265 c CB -1.177 41.300 42.510 -0.054 0.000 2.017 265 c HN 0.493 nan 8.230 nan 0.000 0.481 266 E N 0.490 120.584 120.200 -0.176 0.000 2.204 266 E HA -0.133 4.216 4.350 -0.003 0.000 0.195 266 E C 0.647 177.093 176.600 -0.258 0.000 0.990 266 E CA 0.946 57.236 56.400 -0.183 0.000 0.821 266 E CB -0.067 29.544 29.700 -0.148 0.000 0.750 266 E HN 0.668 nan 8.360 nan 0.000 0.477 267 N N 0.056 118.509 118.700 -0.411 0.000 2.328 267 N HA 0.024 4.762 4.740 -0.003 0.000 0.247 267 N C 0.625 175.959 175.510 -0.294 0.000 1.165 267 N CA -0.080 52.733 53.050 -0.395 0.000 0.873 267 N CB 0.427 38.525 38.487 -0.648 0.000 1.125 267 N HN 0.103 nan 8.380 nan 0.000 0.513 268 Q N 1.090 120.748 119.800 -0.237 0.000 2.045 268 Q HA -0.275 4.063 4.340 -0.003 0.000 0.215 268 Q C 0.479 176.376 176.000 -0.172 0.000 1.026 268 Q CA 2.151 57.838 55.803 -0.193 0.000 0.885 268 Q CB 0.004 28.661 28.738 -0.135 0.000 0.984 268 Q HN 0.425 nan 8.270 nan 0.000 0.414 269 D N -0.683 119.639 120.400 -0.130 0.000 2.265 269 D HA -0.107 4.532 4.640 -0.003 0.000 0.208 269 D C 1.583 177.826 176.300 -0.096 0.000 0.977 269 D CA 1.219 55.161 54.000 -0.097 0.000 0.871 269 D CB -0.048 40.709 40.800 -0.073 0.000 0.925 269 D HN 0.187 nan 8.370 nan 0.000 0.485 270 S N -0.325 115.303 115.700 -0.120 0.000 2.548 270 S HA 0.139 4.607 4.470 -0.003 0.000 0.215 270 S C 1.860 176.392 174.600 -0.113 0.000 0.976 270 S CA -0.139 58.005 58.200 -0.093 0.000 0.908 270 S CB 0.586 63.734 63.200 -0.086 0.000 0.781 270 S HN 0.189 nan 8.310 nan 0.000 0.519 271 I N -0.674 119.774 120.570 -0.203 0.000 3.132 271 I HA 0.216 4.384 4.170 -0.003 0.000 0.255 271 I C 0.776 176.662 176.117 -0.384 0.000 1.118 271 I CA 0.327 61.411 61.300 -0.360 0.000 1.463 271 I CB 0.560 38.221 38.000 -0.564 0.000 1.356 271 I HN 0.117 nan 8.210 nan 0.000 0.463 272 S N -1.328 114.182 115.700 -0.317 0.000 2.565 272 S HA 0.286 4.755 4.470 -0.003 0.000 0.269 272 S C 0.186 174.737 174.600 -0.082 0.000 1.153 272 S CA -0.040 58.075 58.200 -0.142 0.000 0.835 272 S CB 1.309 64.443 63.200 -0.110 0.000 1.122 272 S HN 0.192 nan 8.310 nan 0.000 0.462 273 S N 1.474 117.162 115.700 -0.020 0.000 2.524 273 S HA 0.272 4.740 4.470 -0.003 0.000 0.215 273 S C 0.755 175.352 174.600 -0.005 0.000 0.986 273 S CA -0.343 57.845 58.200 -0.019 0.000 0.911 273 S CB -0.023 63.170 63.200 -0.011 0.000 0.805 273 S HN 0.552 nan 8.310 nan 0.000 0.501 274 K N 1.390 121.800 120.400 0.017 0.000 2.404 274 K HA 0.373 4.691 4.320 -0.003 0.000 0.194 274 K C 1.317 177.930 176.600 0.021 0.000 1.023 274 K CA 0.054 56.357 56.287 0.026 0.000 1.094 274 K CB -0.276 32.254 32.500 0.049 0.000 0.841 274 K HN 0.424 nan 8.250 nan 0.000 0.523 275 L N 1.020 122.243 121.223 0.001 0.000 2.131 275 L HA -0.154 4.185 4.340 -0.003 0.000 0.206 275 L C 2.086 178.948 176.870 -0.014 0.000 1.087 275 L CA 0.946 55.780 54.840 -0.010 0.000 0.767 275 L CB -0.588 41.437 42.059 -0.057 0.000 0.917 275 L HN 0.096 nan 8.230 nan 0.000 0.441 276 K N 1.057 121.445 120.400 -0.021 0.000 2.117 276 K HA -0.296 4.022 4.320 -0.003 0.000 0.215 276 K C 1.598 178.194 176.600 -0.006 0.000 1.053 276 K CA 2.280 58.556 56.287 -0.018 0.000 0.935 276 K CB -0.800 31.690 32.500 -0.017 0.000 0.719 276 K HN 0.299 nan 8.250 nan 0.000 0.460 277 E N 0.002 120.204 120.200 0.002 0.000 2.153 277 E HA -0.099 4.249 4.350 -0.003 0.000 0.194 277 E C 1.970 178.579 176.600 0.015 0.000 0.988 277 E CA 1.369 57.775 56.400 0.010 0.000 0.811 277 E CB -0.172 29.537 29.700 0.016 0.000 0.746 277 E HN 0.475 nan 8.360 nan 0.000 0.466 278 c N -0.172 118.435 118.600 0.012 0.000 2.486 278 c HA -0.064 4.504 4.570 -0.003 0.000 0.279 278 c C 2.597 176.693 174.090 0.009 0.000 1.302 278 c CA -0.053 56.284 56.329 0.013 0.000 1.720 278 c CB -0.609 41.907 42.510 0.011 0.000 2.030 278 c HN 0.564 nan 8.230 nan 0.000 0.490 279 c N 1.596 120.195 118.600 -0.001 0.000 2.443 279 c HA -0.062 4.507 4.570 -0.003 0.000 0.290 279 c C 2.400 176.490 174.090 0.000 0.000 1.476 279 c CA 0.869 57.194 56.329 -0.006 0.000 1.772 279 c CB -1.516 40.981 42.510 -0.022 0.000 1.714 279 c HN 0.619 nan 8.230 nan 0.000 0.562 280 E N 1.087 121.291 120.200 0.006 0.000 2.140 280 E HA 0.016 4.365 4.350 -0.003 0.000 0.191 280 E C 0.689 177.301 176.600 0.019 0.000 0.973 280 E CA 0.297 56.703 56.400 0.010 0.000 0.829 280 E CB -0.137 29.570 29.700 0.012 0.000 0.781 280 E HN 0.658 nan 8.360 nan 0.000 0.466 281 K N 2.225 122.640 120.400 0.025 0.000 2.518 281 K HA 0.052 4.370 4.320 -0.003 0.000 0.276 281 K C -2.333 174.289 176.600 0.038 0.000 0.974 281 K CA -1.109 55.201 56.287 0.038 0.000 0.986 281 K CB -0.276 32.252 32.500 0.047 0.000 0.901 281 K HN -0.108 nan 8.250 nan 0.000 0.497 282 P HA -0.121 nan 4.420 nan 0.000 0.268 282 P C 0.755 178.084 177.300 0.047 0.000 1.208 282 P CA -0.206 62.924 63.100 0.050 0.000 0.777 282 P CB 0.419 32.159 31.700 0.067 0.000 0.875 283 L N 3.244 124.490 121.223 0.039 0.000 2.011 283 L HA -0.261 4.078 4.340 -0.003 0.000 0.225 283 L C 1.886 178.769 176.870 0.021 0.000 1.084 283 L CA 2.087 56.944 54.840 0.028 0.000 0.791 283 L CB -1.294 40.780 42.059 0.025 0.000 0.898 283 L HN 0.382 nan 8.230 nan 0.000 0.440 284 L N -1.395 119.857 121.223 0.050 0.000 2.141 284 L HA -0.165 4.174 4.340 -0.003 0.000 0.209 284 L C 2.380 179.191 176.870 -0.098 0.000 1.094 284 L CA 1.017 55.879 54.840 0.037 0.000 0.763 284 L CB -0.520 41.651 42.059 0.188 0.000 0.908 284 L HN 0.289 nan 8.230 nan 0.000 0.437 285 E N 0.068 120.271 120.200 0.005 0.000 2.158 285 E HA -0.176 4.172 4.350 -0.003 0.000 0.191 285 E C 2.046 178.609 176.600 -0.060 0.000 0.982 285 E CA 0.656 57.028 56.400 -0.047 0.000 0.823 285 E CB 0.021 29.813 29.700 0.154 0.000 0.766 285 E HN 0.279 nan 8.360 nan 0.000 0.468 286 K N 0.240 120.629 120.400 -0.020 0.000 2.057 286 K HA -0.073 4.246 4.320 -0.003 0.000 0.206 286 K C 1.975 178.565 176.600 -0.017 0.000 1.050 286 K CA 1.569 57.852 56.287 -0.007 0.000 0.935 286 K CB -0.023 32.482 32.500 0.008 0.000 0.715 286 K HN -0.030 nan 8.250 nan 0.000 0.439 287 S N -0.258 115.425 115.700 -0.028 0.000 2.368 287 S HA -0.153 4.315 4.470 -0.003 0.000 0.224 287 S C 1.728 176.321 174.600 -0.011 0.000 1.029 287 S CA 1.351 59.550 58.200 -0.003 0.000 0.988 287 S CB -0.513 62.685 63.200 -0.004 0.000 0.838 287 S HN 0.540 nan 8.310 nan 0.000 0.462 288 H N 0.816 119.749 119.070 -0.229 0.000 2.293 288 H HA -0.097 4.457 4.556 -0.003 0.000 0.300 288 H C 2.463 177.718 175.328 -0.122 0.000 1.082 288 H CA 1.928 57.815 56.048 -0.269 0.000 1.308 288 H CB -1.008 28.281 29.762 -0.789 0.000 1.375 288 H HN 0.384 nan 8.280 nan 0.000 0.495 289 c N 0.243 118.727 118.600 -0.192 0.000 2.359 289 c HA -0.206 4.363 4.570 -0.003 0.000 0.277 289 c C 2.904 176.938 174.090 -0.094 0.000 1.192 289 c CA 1.610 57.852 56.329 -0.145 0.000 1.759 289 c CB -1.447 41.047 42.510 -0.027 0.000 2.038 289 c HN 0.724 nan 8.230 nan 0.000 0.448 290 I N 1.291 121.848 120.570 -0.021 0.000 2.151 290 I HA -0.266 3.903 4.170 -0.003 0.000 0.243 290 I C 2.814 178.968 176.117 0.061 0.000 1.080 290 I CA 1.933 63.263 61.300 0.050 0.000 1.339 290 I CB -0.685 37.361 38.000 0.077 0.000 1.039 290 I HN 0.494 nan 8.210 nan 0.000 0.409 291 A N -0.131 122.707 122.820 0.030 0.000 1.978 291 A HA -0.161 4.157 4.320 -0.003 0.000 0.220 291 A C 1.079 178.658 177.584 -0.008 0.000 1.170 291 A CA 1.454 53.527 52.037 0.058 0.000 0.636 291 A CB -0.351 18.712 19.000 0.104 0.000 0.810 291 A HN 0.492 nan 8.150 nan 0.000 0.448 292 E N -0.937 119.196 120.200 -0.111 0.000 2.675 292 E HA 0.498 4.847 4.350 -0.003 0.000 0.236 292 E C -1.377 175.172 176.600 -0.085 0.000 1.059 292 E CA -0.145 56.188 56.400 -0.112 0.000 0.775 292 E CB 1.751 31.339 29.700 -0.187 0.000 1.356 292 E HN 0.133 nan 8.360 nan 0.000 0.403 293 V N 2.187 122.083 119.914 -0.030 0.000 3.040 293 V HA 0.396 4.514 4.120 -0.003 0.000 0.312 293 V C -0.928 175.164 176.094 -0.003 0.000 1.115 293 V CA -0.758 61.543 62.300 0.002 0.000 0.998 293 V CB 2.136 33.989 31.823 0.050 0.000 1.042 293 V HN 0.588 nan 8.190 nan 0.000 0.433 294 E N 3.135 123.339 120.200 0.005 0.000 2.376 294 E HA 0.352 4.700 4.350 -0.003 0.000 0.254 294 E C -0.783 175.813 176.600 -0.008 0.000 1.213 294 E CA -0.756 55.637 56.400 -0.011 0.000 0.945 294 E CB 0.282 29.979 29.700 -0.004 0.000 1.057 294 E HN 0.629 nan 8.360 nan 0.000 0.479 295 N N 1.800 120.479 118.700 -0.035 0.000 2.497 295 N HA 0.031 4.770 4.740 -0.003 0.000 0.271 295 N C -0.467 175.044 175.510 0.002 0.000 1.142 295 N CA -0.147 52.881 53.050 -0.038 0.000 0.965 295 N CB 0.519 38.958 38.487 -0.080 0.000 1.077 295 N HN 0.497 nan 8.380 nan 0.000 0.462 296 D N 0.899 121.327 120.400 0.047 0.000 2.354 296 D HA -0.032 4.607 4.640 -0.003 0.000 0.238 296 D C -0.047 176.258 176.300 0.007 0.000 1.250 296 D CA 0.180 54.209 54.000 0.049 0.000 0.911 296 D CB 0.728 41.587 40.800 0.099 0.000 1.163 296 D HN 0.281 nan 8.370 nan 0.000 0.456 297 E N 0.831 121.032 120.200 0.001 0.000 2.354 297 E HA 0.060 4.408 4.350 -0.003 0.000 0.269 297 E C 0.134 176.717 176.600 -0.027 0.000 1.036 297 E CA -0.192 56.196 56.400 -0.020 0.000 0.876 297 E CB 0.872 30.562 29.700 -0.017 0.000 1.009 297 E HN 0.464 nan 8.360 nan 0.000 0.416 298 M N 3.021 122.589 119.600 -0.053 0.000 2.233 298 M HA 0.166 4.645 4.480 -0.003 0.000 0.350 298 M C -2.169 174.096 176.300 -0.059 0.000 1.176 298 M CA -1.423 53.834 55.300 -0.072 0.000 1.150 298 M CB 0.569 33.101 32.600 -0.114 0.000 1.530 298 M HN 0.039 nan 8.290 nan 0.000 0.459 299 P HA 0.023 nan 4.420 nan 0.000 0.265 299 P C -0.380 176.889 177.300 -0.052 0.000 1.193 299 P CA 0.110 63.184 63.100 -0.042 0.000 0.765 299 P CB 0.631 32.309 31.700 -0.036 0.000 0.823 300 A N 3.113 125.909 122.820 -0.039 0.000 1.873 300 A HA -0.192 4.126 4.320 -0.003 0.000 0.218 300 A C 0.991 178.549 177.584 -0.043 0.000 1.193 300 A CA 1.922 53.936 52.037 -0.039 0.000 0.629 300 A CB -0.825 18.159 19.000 -0.028 0.000 0.826 300 A HN 0.600 nan 8.150 nan 0.000 0.447 301 D N -0.847 119.530 120.400 -0.037 0.000 2.438 301 D HA 0.529 5.167 4.640 -0.003 0.000 0.257 301 D C -0.993 175.283 176.300 -0.040 0.000 1.148 301 D CA -0.153 53.824 54.000 -0.038 0.000 0.902 301 D CB 0.213 40.997 40.800 -0.027 0.000 1.062 301 D HN 0.201 nan 8.370 nan 0.000 0.518 302 L N 4.163 125.352 121.223 -0.058 0.000 2.317 302 L HA 0.594 4.933 4.340 -0.003 0.000 0.281 302 L C -1.436 175.398 176.870 -0.061 0.000 1.024 302 L CA -1.670 53.132 54.840 -0.064 0.000 0.810 302 L CB 1.586 43.585 42.059 -0.100 0.000 1.240 302 L HN 0.341 nan 8.230 nan 0.000 0.427 303 P HA 0.034 nan 4.420 nan 0.000 0.280 303 P C -0.581 176.695 177.300 -0.041 0.000 1.278 303 P CA -0.449 62.629 63.100 -0.035 0.000 0.787 303 P CB 0.671 32.358 31.700 -0.020 0.000 1.163 304 S N -0.863 114.820 115.700 -0.028 0.000 2.499 304 S HA 0.200 4.669 4.470 -0.003 0.000 0.279 304 S C 1.497 176.106 174.600 0.014 0.000 1.219 304 S CA -0.710 57.475 58.200 -0.025 0.000 1.062 304 S CB -0.261 62.920 63.200 -0.032 0.000 0.978 304 S HN 0.346 nan 8.310 nan 0.000 0.489 305 L N 4.717 125.973 121.223 0.055 0.000 1.970 305 L HA -0.141 4.198 4.340 -0.003 0.000 0.212 305 L C 2.878 179.892 176.870 0.241 0.000 1.071 305 L CA 1.790 56.765 54.840 0.224 0.000 0.751 305 L CB -0.891 41.361 42.059 0.322 0.000 0.889 305 L HN 0.881 nan 8.230 nan 0.000 0.432 306 A N -0.058 122.780 122.820 0.029 0.000 2.038 306 A HA -0.381 3.937 4.320 -0.003 0.000 0.224 306 A C 2.435 180.040 177.584 0.035 0.000 1.190 306 A CA 2.320 54.303 52.037 -0.091 0.000 0.668 306 A CB -0.939 17.888 19.000 -0.288 0.000 0.820 306 A HN 0.534 nan 8.150 nan 0.000 0.474 307 A N -0.271 122.562 122.820 0.021 0.000 1.877 307 A HA -0.160 4.158 4.320 -0.003 0.000 0.216 307 A C 1.678 179.251 177.584 -0.019 0.000 1.186 307 A CA 2.000 54.040 52.037 0.005 0.000 0.620 307 A CB -0.569 18.424 19.000 -0.012 0.000 0.822 307 A HN 0.600 nan 8.150 nan 0.000 0.443 308 D N -2.053 118.278 120.400 -0.115 0.000 2.327 308 D HA 0.131 4.769 4.640 -0.003 0.000 0.205 308 D C 1.152 177.212 176.300 -0.400 0.000 0.989 308 D CA 0.507 54.312 54.000 -0.325 0.000 0.873 308 D CB -0.038 40.395 40.800 -0.612 0.000 0.955 308 D HN 0.473 nan 8.370 nan 0.000 0.515 309 F N 0.074 120.139 119.950 0.191 0.000 2.505 309 F HA 0.126 4.652 4.527 -0.002 0.000 0.289 309 F C 1.856 177.836 175.800 0.300 0.000 1.101 309 F CA 0.185 58.357 58.000 0.287 0.000 1.446 309 F CB 0.314 39.498 39.000 0.308 0.000 1.123 309 F HN -0.085 nan 8.300 nan 0.000 0.564 310 V N -4.531 115.614 119.914 0.384 0.000 3.276 310 V HA 0.384 4.503 4.120 -0.003 0.000 0.319 310 V C 0.656 176.978 176.094 0.380 0.000 1.476 310 V CA -0.000 62.548 62.300 0.413 0.000 1.097 310 V CB 0.153 32.227 31.823 0.418 0.000 0.988 310 V HN 0.216 nan 8.190 nan 0.000 0.473 311 E N 0.510 120.860 120.200 0.249 0.000 2.354 311 E HA 0.243 4.591 4.350 -0.003 0.000 0.203 311 E C 0.882 177.588 176.600 0.176 0.000 0.841 311 E CA 0.328 56.830 56.400 0.170 0.000 1.046 311 E CB 0.813 30.555 29.700 0.070 0.000 1.040 311 E HN 0.446 nan 8.360 nan 0.000 0.504 312 S N 1.677 117.469 115.700 0.154 0.000 2.552 312 S HA -0.047 4.421 4.470 -0.003 0.000 0.289 312 S C 1.008 175.751 174.600 0.239 0.000 1.304 312 S CA 0.045 58.325 58.200 0.133 0.000 1.063 312 S CB 0.434 63.684 63.200 0.083 0.000 0.848 312 S HN 0.232 nan 8.310 nan 0.000 0.499 313 K N 2.663 123.185 120.400 0.202 0.000 2.525 313 K HA 0.077 4.395 4.320 -0.003 0.000 0.192 313 K C -0.399 176.415 176.600 0.357 0.000 1.029 313 K CA 0.580 57.085 56.287 0.365 0.000 1.029 313 K CB 0.084 32.653 32.500 0.114 0.000 0.814 313 K HN 0.431 nan 8.250 nan 0.000 0.503 314 D N 1.362 121.886 120.400 0.206 0.000 2.559 314 D HA 0.045 4.684 4.640 -0.003 0.000 0.234 314 D C 1.174 177.529 176.300 0.092 0.000 1.226 314 D CA -0.096 53.982 54.000 0.131 0.000 0.830 314 D CB 0.930 41.786 40.800 0.093 0.000 1.028 314 D HN -0.036 nan 8.370 nan 0.000 0.492 315 V N 0.110 120.088 119.914 0.107 0.000 2.307 315 V HA -0.248 3.870 4.120 -0.003 0.000 0.245 315 V C 2.540 178.552 176.094 -0.136 0.000 1.045 315 V CA 1.407 63.715 62.300 0.013 0.000 1.024 315 V CB -0.283 31.471 31.823 -0.115 0.000 0.651 315 V HN 0.385 nan 8.190 nan 0.000 0.449 316 c N -0.329 118.226 118.600 -0.074 0.000 2.446 316 c HA -0.136 4.432 4.570 -0.003 0.000 0.277 316 c C 2.785 176.833 174.090 -0.069 0.000 1.275 316 c CA 1.355 57.655 56.329 -0.049 0.000 1.727 316 c CB -0.848 41.661 42.510 -0.002 0.000 2.010 316 c HN 0.618 nan 8.230 nan 0.000 0.486 317 K N 1.160 121.531 120.400 -0.048 0.000 2.009 317 K HA -0.210 4.108 4.320 -0.003 0.000 0.210 317 K C 2.014 178.560 176.600 -0.091 0.000 1.049 317 K CA 1.833 58.090 56.287 -0.050 0.000 0.929 317 K CB -0.409 32.088 32.500 -0.005 0.000 0.714 317 K HN 0.350 nan 8.250 nan 0.000 0.440 318 N N 0.005 118.647 118.700 -0.097 0.000 2.205 318 N HA -0.203 4.535 4.740 -0.003 0.000 0.186 318 N C 1.751 177.045 175.510 -0.361 0.000 1.015 318 N CA 1.114 54.096 53.050 -0.113 0.000 0.862 318 N CB -0.284 38.228 38.487 0.041 0.000 0.986 318 N HN 0.326 nan 8.380 nan 0.000 0.429 319 Y N 1.383 121.190 120.300 -0.822 0.000 2.114 319 Y HA -0.040 4.508 4.550 -0.003 0.000 0.284 319 Y C 2.291 177.984 175.900 -0.345 0.000 1.143 319 Y CA 1.694 59.248 58.100 -0.908 0.000 1.135 319 Y CB -1.053 36.967 38.460 -0.732 0.000 0.980 319 Y HN 0.077 nan 8.280 nan 0.000 0.499 320 A N 0.622 123.158 122.820 -0.474 0.000 1.883 320 A HA -0.242 4.076 4.320 -0.003 0.000 0.217 320 A C 2.127 179.559 177.584 -0.253 0.000 1.186 320 A CA 1.995 53.767 52.037 -0.442 0.000 0.624 320 A CB -0.936 17.904 19.000 -0.267 0.000 0.822 320 A HN 0.657 nan 8.150 nan 0.000 0.444 321 E N -0.390 119.722 120.200 -0.147 0.000 2.019 321 E HA -0.094 4.254 4.350 -0.003 0.000 0.208 321 E C 0.851 177.425 176.600 -0.043 0.000 1.030 321 E CA 1.184 57.545 56.400 -0.066 0.000 0.856 321 E CB -0.216 29.474 29.700 -0.018 0.000 0.781 321 E HN 0.557 nan 8.360 nan 0.000 0.471 322 A N 0.686 123.508 122.820 0.002 0.000 2.409 322 A HA 0.210 4.528 4.320 -0.003 0.000 0.300 322 A C 0.598 178.247 177.584 0.107 0.000 1.273 322 A CA -0.618 51.454 52.037 0.058 0.000 0.774 322 A CB 0.744 19.812 19.000 0.113 0.000 1.144 322 A HN 0.240 nan 8.150 nan 0.000 0.472 323 K N 1.179 121.605 120.400 0.043 0.000 2.062 323 K HA -0.100 4.218 4.320 -0.003 0.000 0.205 323 K C 0.304 177.104 176.600 0.334 0.000 1.051 323 K CA 1.951 58.334 56.287 0.160 0.000 0.941 323 K CB -0.108 32.368 32.500 -0.040 0.000 0.719 323 K HN 0.449 nan 8.250 nan 0.000 0.440 324 D N 0.618 121.158 120.400 0.234 0.000 2.269 324 D HA -0.066 4.572 4.640 -0.003 0.000 0.208 324 D C 1.647 178.118 176.300 0.285 0.000 0.963 324 D CA 0.610 54.758 54.000 0.246 0.000 0.864 324 D CB 0.331 41.240 40.800 0.181 0.000 0.936 324 D HN 0.046 nan 8.370 nan 0.000 0.505 325 V N -0.016 120.078 119.914 0.300 0.000 2.535 325 V HA -0.113 4.005 4.120 -0.003 0.000 0.246 325 V C 1.726 178.006 176.094 0.311 0.000 1.045 325 V CA 0.862 63.364 62.300 0.337 0.000 1.058 325 V CB -0.375 31.628 31.823 0.301 0.000 0.689 325 V HN 0.205 nan 8.190 nan 0.000 0.461 326 F N 0.517 120.592 119.950 0.208 0.000 2.113 326 F HA -0.117 4.408 4.527 -0.003 0.000 0.297 326 F C 2.008 177.967 175.800 0.265 0.000 1.103 326 F CA 1.667 59.812 58.000 0.242 0.000 1.248 326 F CB -0.083 39.100 39.000 0.305 0.000 0.999 326 F HN 0.009 nan 8.300 nan 0.000 0.475 327 L N -0.323 121.179 121.223 0.465 0.000 2.056 327 L HA -0.103 4.235 4.340 -0.003 0.000 0.207 327 L C 2.770 179.764 176.870 0.206 0.000 1.078 327 L CA 1.315 56.354 54.840 0.331 0.000 0.749 327 L CB -1.546 40.715 42.059 0.337 0.000 0.901 327 L HN 0.308 nan 8.230 nan 0.000 0.433 328 G N -0.693 108.235 108.800 0.213 0.000 2.443 328 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.219 328 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.219 328 G C 1.642 176.565 174.900 0.038 0.000 1.131 328 G CA 0.506 45.741 45.100 0.224 0.000 0.775 328 G HN 0.191 nan 8.290 nan 0.000 0.547 329 M N -0.446 118.998 119.600 -0.260 0.000 2.099 329 M HA 0.052 4.530 4.480 -0.003 0.000 0.262 329 M C 2.251 178.392 176.300 -0.266 0.000 1.067 329 M CA 1.471 56.427 55.300 -0.573 0.000 1.124 329 M CB -0.213 32.099 32.600 -0.480 0.000 1.353 329 M HN 0.281 nan 8.290 nan 0.000 0.410 330 F N 0.685 120.314 119.950 -0.536 0.000 2.069 330 F HA -0.286 4.239 4.527 -0.003 0.000 0.298 330 F C 1.771 177.249 175.800 -0.537 0.000 1.113 330 F CA 1.723 59.118 58.000 -1.008 0.000 1.214 330 F CB -0.596 37.732 39.000 -1.120 0.000 0.978 330 F HN 0.131 nan 8.300 nan 0.000 0.474 331 L N -0.068 120.971 121.223 -0.305 0.000 2.079 331 L HA -0.208 4.131 4.340 -0.003 0.000 0.210 331 L C 2.298 179.045 176.870 -0.206 0.000 1.081 331 L CA 2.077 56.751 54.840 -0.277 0.000 0.752 331 L CB -1.406 40.651 42.059 -0.003 0.000 0.896 331 L HN 0.487 nan 8.230 nan 0.000 0.433 332 Y N 0.196 120.383 120.300 -0.188 0.000 2.089 332 Y HA -0.220 4.329 4.550 -0.003 0.000 0.282 332 Y C 2.437 178.240 175.900 -0.160 0.000 1.139 332 Y CA 2.032 60.085 58.100 -0.078 0.000 1.123 332 Y CB -0.497 38.017 38.460 0.090 0.000 0.980 332 Y HN 0.212 nan 8.280 nan 0.000 0.493 333 E N -0.615 119.222 120.200 -0.605 0.000 2.118 333 E HA -0.259 4.090 4.350 -0.003 0.000 0.195 333 E C 2.142 178.417 176.600 -0.542 0.000 0.992 333 E CA 1.642 57.651 56.400 -0.650 0.000 0.804 333 E CB -0.751 28.752 29.700 -0.328 0.000 0.741 333 E HN 0.654 nan 8.360 nan 0.000 0.458 334 Y N 0.822 120.685 120.300 -0.727 0.000 2.200 334 Y HA -0.154 4.394 4.550 -0.003 0.000 0.290 334 Y C 2.295 177.953 175.900 -0.404 0.000 1.137 334 Y CA 1.372 59.085 58.100 -0.645 0.000 1.163 334 Y CB -0.290 37.505 38.460 -1.108 0.000 0.988 334 Y HN 0.025 nan 8.280 nan 0.000 0.518 335 A N 1.113 123.809 122.820 -0.206 0.000 1.877 335 A HA -0.232 4.086 4.320 -0.003 0.000 0.216 335 A C 2.291 179.744 177.584 -0.218 0.000 1.186 335 A CA 2.039 53.977 52.037 -0.164 0.000 0.620 335 A CB -0.801 18.106 19.000 -0.155 0.000 0.822 335 A HN 0.593 nan 8.150 nan 0.000 0.443 336 R N -0.453 119.868 120.500 -0.297 0.000 2.152 336 R HA -0.084 4.254 4.340 -0.003 0.000 0.232 336 R C 1.661 177.776 176.300 -0.308 0.000 1.117 336 R CA 1.560 57.488 56.100 -0.286 0.000 0.981 336 R CB -0.380 29.706 30.300 -0.357 0.000 0.870 336 R HN 0.476 nan 8.270 nan 0.000 0.451 337 R N -0.200 120.059 120.500 -0.402 0.000 2.297 337 R HA 0.119 4.457 4.340 -0.003 0.000 0.197 337 R C 0.004 175.840 176.300 -0.774 0.000 0.943 337 R CA 0.289 56.069 56.100 -0.534 0.000 1.038 337 R CB 0.294 30.235 30.300 -0.598 0.000 0.957 337 R HN 0.338 nan 8.270 nan 0.000 0.484 338 H N 0.650 119.478 119.070 -0.402 0.000 2.488 338 H HA 0.159 4.713 4.556 -0.003 0.000 0.237 338 H C -2.049 173.082 175.328 -0.329 0.000 1.395 338 H CA -1.731 54.027 56.048 -0.484 0.000 1.491 338 H CB 1.619 30.893 29.762 -0.814 0.000 1.567 338 H HN 0.014 nan 8.280 nan 0.000 0.508 339 P HA -0.002 nan 4.420 nan 0.000 0.249 339 P C 0.567 177.827 177.300 -0.067 0.000 1.229 339 P CA 0.309 63.339 63.100 -0.117 0.000 0.788 339 P CB 0.408 32.032 31.700 -0.128 0.000 1.072 340 D N -2.029 118.341 120.400 -0.050 0.000 2.339 340 D HA -0.053 4.585 4.640 -0.003 0.000 0.217 340 D C 0.021 176.466 176.300 0.242 0.000 1.050 340 D CA 0.018 54.044 54.000 0.045 0.000 0.856 340 D CB -0.395 40.430 40.800 0.042 0.000 0.922 340 D HN 0.090 nan 8.370 nan 0.000 0.518 341 Y N 1.837 122.119 120.300 -0.030 0.000 2.387 341 Y HA 0.323 4.872 4.550 -0.003 0.000 0.336 341 Y C 0.945 176.792 175.900 -0.088 0.000 1.067 341 Y CA -2.484 55.574 58.100 -0.070 0.000 1.114 341 Y CB 1.565 39.965 38.460 -0.100 0.000 1.208 341 Y HN -0.138 nan 8.280 nan 0.000 0.458 342 S N 0.396 116.122 115.700 0.044 0.000 2.572 342 S HA 0.170 4.638 4.470 -0.003 0.000 0.279 342 S C 0.982 175.557 174.600 -0.042 0.000 1.341 342 S CA -0.694 57.498 58.200 -0.013 0.000 1.043 342 S CB 0.965 64.148 63.200 -0.028 0.000 0.887 342 S HN 0.412 nan 8.310 nan 0.000 0.516 343 V N 2.312 122.178 119.914 -0.079 0.000 2.594 343 V HA -0.167 3.952 4.120 -0.003 0.000 0.253 343 V C 2.450 178.489 176.094 -0.091 0.000 1.069 343 V CA 1.723 63.931 62.300 -0.153 0.000 1.082 343 V CB -1.296 30.329 31.823 -0.330 0.000 0.680 343 V HN 0.917 nan 8.190 nan 0.000 0.469 344 V N -1.884 118.010 119.914 -0.034 0.000 2.667 344 V HA -0.115 4.004 4.120 -0.003 0.000 0.252 344 V C 2.279 178.317 176.094 -0.093 0.000 1.065 344 V CA 1.495 63.774 62.300 -0.035 0.000 1.083 344 V CB -0.727 31.086 31.823 -0.016 0.000 0.692 344 V HN 0.445 nan 8.190 nan 0.000 0.468 345 L N 0.215 121.365 121.223 -0.122 0.000 2.005 345 L HA 0.036 4.375 4.340 -0.003 0.000 0.207 345 L C 2.332 179.065 176.870 -0.227 0.000 1.072 345 L CA 1.789 56.508 54.840 -0.203 0.000 0.744 345 L CB -0.788 41.094 42.059 -0.295 0.000 0.895 345 L HN 0.237 nan 8.230 nan 0.000 0.433 346 L N -0.848 120.275 121.223 -0.166 0.000 2.021 346 L HA -0.300 4.039 4.340 -0.003 0.000 0.215 346 L C 2.538 179.278 176.870 -0.216 0.000 1.074 346 L CA 1.672 56.398 54.840 -0.189 0.000 0.760 346 L CB -0.627 41.361 42.059 -0.119 0.000 0.889 346 L HN 0.338 nan 8.230 nan 0.000 0.433 347 L N -1.064 120.071 121.223 -0.146 0.000 2.201 347 L HA -0.176 4.162 4.340 -0.003 0.000 0.212 347 L C 2.632 179.432 176.870 -0.117 0.000 1.105 347 L CA 0.971 55.751 54.840 -0.101 0.000 0.775 347 L CB -0.539 41.489 42.059 -0.051 0.000 0.913 347 L HN 0.248 nan 8.230 nan 0.000 0.440 348 R N -0.034 120.373 120.500 -0.155 0.000 2.148 348 R HA -0.025 4.314 4.340 -0.003 0.000 0.223 348 R C 2.247 178.421 176.300 -0.211 0.000 1.088 348 R CA 0.800 56.809 56.100 -0.152 0.000 0.985 348 R CB -0.052 30.157 30.300 -0.153 0.000 0.880 348 R HN 0.346 nan 8.270 nan 0.000 0.451 349 L N -0.376 120.635 121.223 -0.354 0.000 2.095 349 L HA -0.037 4.301 4.340 -0.003 0.000 0.204 349 L C 2.622 179.259 176.870 -0.389 0.000 1.080 349 L CA 1.008 55.463 54.840 -0.641 0.000 0.759 349 L CB -0.600 40.798 42.059 -1.101 0.000 0.914 349 L HN 0.191 nan 8.230 nan 0.000 0.439 350 A N 0.494 123.213 122.820 -0.167 0.000 1.851 350 A HA -0.273 4.045 4.320 -0.003 0.000 0.216 350 A C 2.294 179.861 177.584 -0.029 0.000 1.195 350 A CA 2.090 54.126 52.037 -0.003 0.000 0.622 350 A CB -0.535 18.512 19.000 0.077 0.000 0.831 350 A HN 0.193 nan 8.150 nan 0.000 0.444 351 K N -0.271 120.109 120.400 -0.034 0.000 2.089 351 K HA -0.144 4.174 4.320 -0.003 0.000 0.210 351 K C 1.989 178.580 176.600 -0.015 0.000 1.048 351 K CA 2.469 58.746 56.287 -0.017 0.000 0.926 351 K CB -1.085 31.401 32.500 -0.024 0.000 0.714 351 K HN 0.534 nan 8.250 nan 0.000 0.448 352 T N -0.255 114.294 114.554 -0.008 0.000 2.614 352 T HA -0.171 4.178 4.350 -0.003 0.000 0.263 352 T C 1.465 176.196 174.700 0.051 0.000 1.055 352 T CA 1.559 63.687 62.100 0.047 0.000 1.162 352 T CB -0.797 68.150 68.868 0.131 0.000 0.863 352 T HN 0.284 nan 8.240 nan 0.000 0.414 353 Y N 2.023 122.290 120.300 -0.054 0.000 2.062 353 Y HA -0.299 4.249 4.550 -0.003 0.000 0.276 353 Y C 2.579 178.329 175.900 -0.250 0.000 1.189 353 Y CA 2.159 60.139 58.100 -0.200 0.000 1.130 353 Y CB -0.447 37.644 38.460 -0.616 0.000 0.959 353 Y HN 0.367 nan 8.280 nan 0.000 0.499 354 E N -0.817 119.265 120.200 -0.196 0.000 2.023 354 E HA -0.258 4.091 4.350 -0.003 0.000 0.196 354 E C 2.096 178.572 176.600 -0.207 0.000 1.003 354 E CA 2.529 58.790 56.400 -0.231 0.000 0.809 354 E CB -0.394 29.282 29.700 -0.039 0.000 0.755 354 E HN 0.611 nan 8.360 nan 0.000 0.449 355 T N -2.075 112.419 114.554 -0.101 0.000 2.977 355 T HA -0.089 4.259 4.350 -0.003 0.000 0.271 355 T C 1.794 176.435 174.700 -0.098 0.000 1.105 355 T CA 1.564 63.625 62.100 -0.064 0.000 1.116 355 T CB -0.500 68.353 68.868 -0.025 0.000 0.878 355 T HN 0.063 nan 8.240 nan 0.000 0.509 356 T N 1.803 116.255 114.554 -0.170 0.000 2.942 356 T HA 0.251 4.600 4.350 -0.003 0.000 0.265 356 T C 1.726 176.291 174.700 -0.225 0.000 1.062 356 T CA 0.622 62.618 62.100 -0.174 0.000 1.139 356 T CB -0.236 68.513 68.868 -0.198 0.000 0.883 356 T HN 0.335 nan 8.240 nan 0.000 0.468 357 L N 0.610 121.597 121.223 -0.392 0.000 2.341 357 L HA 0.068 4.406 4.340 -0.003 0.000 0.214 357 L C 2.640 179.458 176.870 -0.086 0.000 1.115 357 L CA 0.707 55.310 54.840 -0.396 0.000 0.820 357 L CB -0.316 41.179 42.059 -0.941 0.000 0.944 357 L HN 0.146 nan 8.230 nan 0.000 0.452 358 E N 0.634 120.816 120.200 -0.030 0.000 2.072 358 E HA -0.235 4.113 4.350 -0.003 0.000 0.191 358 E C 2.006 178.622 176.600 0.027 0.000 0.985 358 E CA 1.108 57.546 56.400 0.064 0.000 0.801 358 E CB 0.033 29.758 29.700 0.041 0.000 0.750 358 E HN 0.410 nan 8.360 nan 0.000 0.452 359 K N 0.258 120.656 120.400 -0.003 0.000 2.076 359 K HA -0.042 4.277 4.320 -0.003 0.000 0.204 359 K C 2.175 178.779 176.600 0.007 0.000 1.051 359 K CA 1.196 57.482 56.287 -0.001 0.000 0.949 359 K CB -0.046 32.449 32.500 -0.009 0.000 0.726 359 K HN 0.073 nan 8.250 nan 0.000 0.443 360 c N 0.540 119.147 118.600 0.013 0.000 2.492 360 c HA 0.050 4.618 4.570 -0.003 0.000 0.279 360 c C 2.469 176.594 174.090 0.058 0.000 1.335 360 c CA 0.033 56.393 56.329 0.050 0.000 1.734 360 c CB -0.600 41.991 42.510 0.135 0.000 2.027 360 c HN 0.618 nan 8.230 nan 0.000 0.496 361 c N 1.234 119.866 118.600 0.054 0.000 2.503 361 c HA 0.198 4.767 4.570 -0.003 0.000 0.285 361 c C 2.289 176.393 174.090 0.024 0.000 1.473 361 c CA 1.057 57.417 56.329 0.052 0.000 1.708 361 c CB -2.181 40.386 42.510 0.095 0.000 1.638 361 c HN 0.728 nan 8.230 nan 0.000 0.585 362 A N -0.564 122.266 122.820 0.016 0.000 2.226 362 A HA 0.630 4.949 4.320 -0.003 0.000 0.207 362 A C 1.204 178.787 177.584 -0.002 0.000 1.293 362 A CA 0.651 52.690 52.037 0.003 0.000 0.968 362 A CB -0.418 18.584 19.000 0.004 0.000 1.044 362 A HN 0.433 nan 8.150 nan 0.000 0.493 363 A N -0.254 122.565 122.820 -0.002 0.000 2.409 363 A HA 0.514 4.832 4.320 -0.003 0.000 0.246 363 A C 1.768 179.344 177.584 -0.014 0.000 1.099 363 A CA 0.464 52.496 52.037 -0.008 0.000 0.789 363 A CB -0.350 18.644 19.000 -0.010 0.000 1.053 363 A HN 1.461 nan 8.150 nan 0.000 0.503 364 A N 0.298 123.110 122.820 -0.013 0.000 1.870 364 A HA -0.145 4.173 4.320 -0.003 0.000 0.219 364 A C 0.673 178.246 177.584 -0.018 0.000 1.286 364 A CA 2.194 54.224 52.037 -0.012 0.000 0.682 364 A CB -0.602 18.393 19.000 -0.009 0.000 0.844 364 A HN 0.783 nan 8.150 nan 0.000 0.460 365 D N -2.003 118.380 120.400 -0.029 0.000 2.502 365 D HA 0.464 5.103 4.640 -0.003 0.000 0.249 365 D C -1.988 174.242 176.300 -0.116 0.000 1.092 365 D CA -1.455 52.514 54.000 -0.051 0.000 0.839 365 D CB 1.579 42.380 40.800 0.001 0.000 1.264 365 D HN -0.028 nan 8.370 nan 0.000 0.511 366 P HA -0.085 nan 4.420 nan 0.000 0.215 366 P C 0.908 177.850 177.300 -0.597 0.000 1.157 366 P CA 1.219 64.204 63.100 -0.190 0.000 0.859 366 P CB 0.294 31.963 31.700 -0.052 0.000 0.786 367 H N -0.599 118.202 119.070 -0.448 0.000 2.400 367 H HA -0.181 4.374 4.556 -0.003 0.000 0.295 367 H C 1.980 176.949 175.328 -0.598 0.000 1.118 367 H CA 1.604 57.236 56.048 -0.694 0.000 1.256 367 H CB -0.417 29.192 29.762 -0.256 0.000 1.365 367 H HN 0.292 nan 8.280 nan 0.000 0.502 368 E N 0.259 120.314 120.200 -0.241 0.000 2.230 368 E HA -0.096 4.252 4.350 -0.003 0.000 0.192 368 E C 1.879 178.385 176.600 -0.157 0.000 0.987 368 E CA 0.980 57.284 56.400 -0.160 0.000 0.841 368 E CB 0.143 29.798 29.700 -0.076 0.000 0.783 368 E HN 0.677 nan 8.360 nan 0.000 0.481 369 c N -0.038 118.457 118.600 -0.175 0.000 2.527 369 c HA 0.120 4.689 4.570 -0.003 0.000 0.280 369 c C 2.477 176.557 174.090 -0.016 0.000 1.353 369 c CA -0.176 56.108 56.329 -0.075 0.000 1.749 369 c CB -1.374 41.117 42.510 -0.032 0.000 2.088 369 c HN 0.547 nan 8.230 nan 0.000 0.508 370 Y N 1.824 122.114 120.300 -0.016 0.000 2.546 370 Y HA 0.552 5.100 4.550 -0.003 0.000 0.287 370 Y C 2.119 178.039 175.900 0.033 0.000 1.158 370 Y CA -0.131 57.961 58.100 -0.014 0.000 1.307 370 Y CB -1.275 37.162 38.460 -0.038 0.000 1.036 370 Y HN 0.225 nan 8.280 nan 0.000 0.532 371 A N 1.217 124.023 122.820 -0.022 0.000 2.125 371 A HA -0.121 4.197 4.320 -0.003 0.000 0.219 371 A C 1.966 179.588 177.584 0.063 0.000 1.156 371 A CA 1.383 53.432 52.037 0.020 0.000 0.671 371 A CB -0.485 18.472 19.000 -0.072 0.000 0.794 371 A HN 0.537 nan 8.150 nan 0.000 0.459 372 K N -0.746 119.689 120.400 0.059 0.000 2.367 372 K HA 0.200 4.519 4.320 -0.003 0.000 0.194 372 K C 1.428 178.052 176.600 0.040 0.000 1.027 372 K CA 0.350 56.665 56.287 0.046 0.000 1.075 372 K CB 0.237 32.749 32.500 0.020 0.000 0.845 372 K HN 0.239 nan 8.250 nan 0.000 0.529 373 V N 1.004 120.953 119.914 0.059 0.000 2.252 373 V HA -0.311 3.807 4.120 -0.003 0.000 0.255 373 V C 1.708 177.534 176.094 -0.447 0.000 1.071 373 V CA 1.942 64.171 62.300 -0.118 0.000 1.050 373 V CB -0.602 31.217 31.823 -0.007 0.000 0.654 373 V HN 0.242 nan 8.190 nan 0.000 0.448 374 F N 0.259 119.906 119.950 -0.506 0.000 2.641 374 F HA -0.060 4.465 4.527 -0.003 0.000 0.298 374 F C 1.928 177.657 175.800 -0.118 0.000 1.146 374 F CA 1.208 58.962 58.000 -0.409 0.000 1.464 374 F CB -0.842 38.149 39.000 -0.015 0.000 1.101 374 F HN 0.246 nan 8.300 nan 0.000 0.585 375 D N -0.248 120.181 120.400 0.050 0.000 2.183 375 D HA -0.073 4.566 4.640 -0.003 0.000 0.205 375 D C 1.961 178.292 176.300 0.052 0.000 0.962 375 D CA 0.882 54.923 54.000 0.068 0.000 0.849 375 D CB 0.054 40.882 40.800 0.046 0.000 0.978 375 D HN 0.247 nan 8.370 nan 0.000 0.488 376 E N -0.794 119.404 120.200 -0.004 0.000 2.358 376 E HA -0.066 4.283 4.350 -0.003 0.000 0.195 376 E C 1.185 177.894 176.600 0.182 0.000 1.010 376 E CA 0.160 56.589 56.400 0.048 0.000 0.856 376 E CB 0.114 29.824 29.700 0.016 0.000 0.795 376 E HN 0.311 nan 8.360 nan 0.000 0.504 377 F N 1.694 121.637 119.950 -0.011 0.000 2.367 377 F HA -0.006 4.519 4.527 -0.003 0.000 0.298 377 F C 1.932 177.703 175.800 -0.049 0.000 1.094 377 F CA 0.562 58.516 58.000 -0.078 0.000 1.409 377 F CB -0.457 38.458 39.000 -0.142 0.000 1.064 377 F HN -0.098 nan 8.300 nan 0.000 0.528 378 K N 0.406 120.927 120.400 0.202 0.000 1.977 378 K HA -0.201 4.117 4.320 -0.003 0.000 0.218 378 K C -0.326 176.305 176.600 0.052 0.000 1.051 378 K CA 2.117 58.475 56.287 0.119 0.000 0.953 378 K CB -1.729 30.838 32.500 0.111 0.000 0.727 378 K HN 0.134 nan 8.250 nan 0.000 0.445 379 P HA -0.148 nan 4.420 nan 0.000 0.219 379 P C 1.124 178.414 177.300 -0.018 0.000 1.146 379 P CA 1.118 64.226 63.100 0.014 0.000 0.808 379 P CB 0.041 31.753 31.700 0.019 0.000 0.779 380 L N -1.376 119.832 121.223 -0.025 0.000 2.093 380 L HA -0.123 4.216 4.340 -0.003 0.000 0.208 380 L C 2.147 178.928 176.870 -0.148 0.000 1.085 380 L CA 1.311 56.102 54.840 -0.082 0.000 0.755 380 L CB -0.727 41.269 42.059 -0.105 0.000 0.904 380 L HN -0.079 nan 8.230 nan 0.000 0.435 381 V N -0.462 119.360 119.914 -0.154 0.000 2.453 381 V HA -0.192 3.927 4.120 -0.003 0.000 0.247 381 V C 2.218 178.221 176.094 -0.152 0.000 1.048 381 V CA 1.449 63.602 62.300 -0.245 0.000 1.049 381 V CB -0.449 31.240 31.823 -0.225 0.000 0.672 381 V HN 0.461 nan 8.190 nan 0.000 0.457 382 E N -0.018 120.140 120.200 -0.069 0.000 2.046 382 E HA -0.195 4.153 4.350 -0.003 0.000 0.190 382 E C 2.274 178.854 176.600 -0.033 0.000 0.982 382 E CA 0.885 57.265 56.400 -0.034 0.000 0.800 382 E CB -0.210 29.487 29.700 -0.005 0.000 0.756 382 E HN 0.530 nan 8.360 nan 0.000 0.449 383 E N 0.966 121.144 120.200 -0.036 0.000 2.086 383 E HA -0.197 4.152 4.350 -0.003 0.000 0.205 383 E C -0.638 175.947 176.600 -0.025 0.000 1.027 383 E CA 1.832 58.217 56.400 -0.025 0.000 0.830 383 E CB -0.905 28.778 29.700 -0.028 0.000 0.751 383 E HN 0.148 nan 8.360 nan 0.000 0.456 384 P HA -0.108 nan 4.420 nan 0.000 0.216 384 P C 1.313 178.603 177.300 -0.018 0.000 1.153 384 P CA 1.497 64.573 63.100 -0.040 0.000 0.848 384 P CB -0.138 31.511 31.700 -0.085 0.000 0.787 385 Q N -0.707 119.076 119.800 -0.028 0.000 2.124 385 Q HA -0.149 4.189 4.340 -0.003 0.000 0.202 385 Q C 1.761 177.771 176.000 0.017 0.000 0.977 385 Q CA 1.350 57.153 55.803 -0.001 0.000 0.850 385 Q CB -0.660 28.078 28.738 -0.000 0.000 0.901 385 Q HN 0.484 nan 8.270 nan 0.000 0.429 386 N N -0.033 118.675 118.700 0.013 0.000 2.416 386 N HA -0.054 4.684 4.740 -0.003 0.000 0.177 386 N C 1.599 177.129 175.510 0.034 0.000 1.036 386 N CA 0.098 53.162 53.050 0.023 0.000 0.901 386 N CB 0.159 38.656 38.487 0.018 0.000 0.976 386 N HN 0.093 nan 8.380 nan 0.000 0.444 387 L N 0.927 122.171 121.223 0.035 0.000 2.102 387 L HA 0.039 4.377 4.340 -0.003 0.000 0.202 387 L C 1.765 178.679 176.870 0.073 0.000 1.076 387 L CA 1.002 55.874 54.840 0.054 0.000 0.761 387 L CB -0.130 41.959 42.059 0.051 0.000 0.921 387 L HN 0.023 nan 8.230 nan 0.000 0.444 388 I N 0.122 120.730 120.570 0.063 0.000 2.226 388 I HA -0.278 3.890 4.170 -0.003 0.000 0.245 388 I C 2.469 178.628 176.117 0.071 0.000 1.100 388 I CA 1.418 62.762 61.300 0.074 0.000 1.374 388 I CB -1.506 36.528 38.000 0.057 0.000 1.057 388 I HN 0.422 nan 8.210 nan 0.000 0.413 389 K N 0.959 121.392 120.400 0.056 0.000 2.063 389 K HA -0.256 4.063 4.320 -0.003 0.000 0.208 389 K C 2.233 178.866 176.600 0.055 0.000 1.048 389 K CA 1.743 58.060 56.287 0.050 0.000 0.928 389 K CB -0.083 32.442 32.500 0.041 0.000 0.713 389 K HN 0.344 nan 8.250 nan 0.000 0.442 390 Q N 0.133 119.971 119.800 0.064 0.000 2.079 390 Q HA -0.108 4.231 4.340 -0.003 0.000 0.200 390 Q C 1.587 177.650 176.000 0.106 0.000 0.974 390 Q CA 1.285 57.133 55.803 0.074 0.000 0.840 390 Q CB 0.092 28.874 28.738 0.072 0.000 0.898 390 Q HN 0.393 nan 8.270 nan 0.000 0.430 391 N N -0.443 118.341 118.700 0.140 0.000 2.409 391 N HA -0.072 4.667 4.740 -0.003 0.000 0.179 391 N C 1.571 177.156 175.510 0.125 0.000 1.032 391 N CA 0.568 53.758 53.050 0.234 0.000 0.898 391 N CB 0.041 38.711 38.487 0.305 0.000 0.971 391 N HN 0.294 nan 8.380 nan 0.000 0.441 392 c N 0.863 119.504 118.600 0.068 0.000 2.486 392 c HA 0.016 4.585 4.570 -0.003 0.000 0.279 392 c C 2.708 176.805 174.090 0.011 0.000 1.302 392 c CA 0.276 56.624 56.329 0.031 0.000 1.720 392 c CB -0.563 41.979 42.510 0.054 0.000 2.030 392 c HN 0.485 nan 8.230 nan 0.000 0.490 393 E N 0.344 120.550 120.200 0.011 0.000 2.051 393 E HA -0.237 4.111 4.350 -0.003 0.000 0.192 393 E C 2.051 178.625 176.600 -0.045 0.000 0.991 393 E CA 1.183 57.577 56.400 -0.010 0.000 0.799 393 E CB -0.236 29.471 29.700 0.012 0.000 0.748 393 E HN 0.457 nan 8.360 nan 0.000 0.449 394 L N 0.850 122.063 121.223 -0.017 0.000 2.043 394 L HA -0.198 4.141 4.340 -0.003 0.000 0.212 394 L C 2.167 178.946 176.870 -0.151 0.000 1.075 394 L CA 1.798 56.635 54.840 -0.005 0.000 0.752 394 L CB -0.965 41.180 42.059 0.144 0.000 0.891 394 L HN 0.239 nan 8.230 nan 0.000 0.432 395 F N 0.831 120.427 119.950 -0.590 0.000 2.091 395 F HA -0.229 4.297 4.527 -0.001 0.000 0.299 395 F C 2.381 177.987 175.800 -0.322 0.000 1.103 395 F CA 2.115 59.629 58.000 -0.811 0.000 1.228 395 F CB -0.503 37.884 39.000 -1.022 0.000 0.984 395 F HN 0.246 nan 8.300 nan 0.000 0.477 396 E N 0.285 120.185 120.200 -0.501 0.000 2.118 396 E HA -0.252 4.096 4.350 -0.003 0.000 0.195 396 E C 2.139 178.540 176.600 -0.332 0.000 0.992 396 E CA 1.642 57.771 56.400 -0.453 0.000 0.804 396 E CB -0.527 29.050 29.700 -0.205 0.000 0.741 396 E HN 0.662 nan 8.360 nan 0.000 0.458 397 Q N 0.288 119.958 119.800 -0.217 0.000 1.965 397 Q HA -0.062 4.276 4.340 -0.003 0.000 0.200 397 Q C 2.575 178.507 176.000 -0.113 0.000 0.981 397 Q CA 1.129 56.857 55.803 -0.125 0.000 0.834 397 Q CB -0.160 28.544 28.738 -0.057 0.000 0.900 397 Q HN 0.256 nan 8.270 nan 0.000 0.426 398 L N -0.548 120.622 121.223 -0.087 0.000 2.072 398 L HA 0.093 4.431 4.340 -0.003 0.000 0.205 398 L C 1.061 177.919 176.870 -0.021 0.000 1.079 398 L CA 0.662 55.503 54.840 0.001 0.000 0.752 398 L CB -0.743 41.393 42.059 0.128 0.000 0.906 398 L HN 0.394 nan 8.230 nan 0.000 0.436 399 G N -0.005 108.696 108.800 -0.164 0.000 2.675 399 G HA2 -0.191 3.768 3.960 -0.003 0.000 0.686 399 G HA3 -0.191 3.768 3.960 -0.003 0.000 0.686 399 G C 0.143 175.175 174.900 0.219 0.000 1.215 399 G CA -0.013 45.007 45.100 -0.133 0.000 0.777 399 G HN 0.227 nan 8.290 nan 0.000 0.638 400 E N 0.013 120.480 120.200 0.445 0.000 2.045 400 E HA -0.313 4.036 4.350 -0.003 0.000 0.212 400 E C 1.997 178.859 176.600 0.437 0.000 1.039 400 E CA 2.467 59.231 56.400 0.607 0.000 0.860 400 E CB -0.229 29.751 29.700 0.468 0.000 0.776 400 E HN 0.795 nan 8.360 nan 0.000 0.467 401 Y N 1.226 121.659 120.300 0.222 0.000 2.030 401 Y HA -0.309 4.238 4.550 -0.004 0.000 0.272 401 Y C 2.072 178.073 175.900 0.169 0.000 1.185 401 Y CA 2.648 60.845 58.100 0.162 0.000 1.120 401 Y CB -0.160 38.372 38.460 0.120 0.000 0.955 401 Y HN 0.005 nan 8.280 nan 0.000 0.495 402 K N -1.146 119.364 120.400 0.183 0.000 2.283 402 K HA -0.130 4.188 4.320 -0.003 0.000 0.202 402 K C 1.889 178.593 176.600 0.174 0.000 1.048 402 K CA 1.086 57.427 56.287 0.091 0.000 0.948 402 K CB -0.418 32.186 32.500 0.174 0.000 0.742 402 K HN 0.313 nan 8.250 nan 0.000 0.458 403 F N 2.642 122.652 119.950 0.100 0.000 2.146 403 F HA -0.134 4.391 4.527 -0.004 0.000 0.298 403 F C 1.939 177.777 175.800 0.063 0.000 1.096 403 F CA 1.436 59.520 58.000 0.140 0.000 1.275 403 F CB -0.230 38.960 39.000 0.316 0.000 1.008 403 F HN -0.017 nan 8.300 nan 0.000 0.480 404 Q N -0.074 119.698 119.800 -0.047 0.000 2.079 404 Q HA -0.190 4.148 4.340 -0.003 0.000 0.200 404 Q C 1.933 177.821 176.000 -0.185 0.000 0.974 404 Q CA 1.572 57.255 55.803 -0.200 0.000 0.840 404 Q CB -0.318 28.347 28.738 -0.122 0.000 0.898 404 Q HN 0.346 nan 8.270 nan 0.000 0.430 405 N N 0.731 119.315 118.700 -0.193 0.000 2.149 405 N HA -0.159 4.580 4.740 -0.003 0.000 0.188 405 N C 1.565 177.035 175.510 -0.067 0.000 1.019 405 N CA 1.444 54.398 53.050 -0.160 0.000 0.857 405 N CB -0.396 37.962 38.487 -0.215 0.000 0.997 405 N HN 0.268 nan 8.380 nan 0.000 0.426 406 A N 0.865 123.665 122.820 -0.033 0.000 1.930 406 A HA -0.006 4.312 4.320 -0.003 0.000 0.217 406 A C 2.313 179.888 177.584 -0.015 0.000 1.175 406 A CA 0.817 52.861 52.037 0.013 0.000 0.627 406 A CB -0.598 18.456 19.000 0.090 0.000 0.815 406 A HN 0.216 nan 8.150 nan 0.000 0.443 407 L N -0.725 120.437 121.223 -0.102 0.000 2.156 407 L HA -0.087 4.251 4.340 -0.003 0.000 0.208 407 L C 2.515 179.407 176.870 0.036 0.000 1.095 407 L CA 0.518 55.322 54.840 -0.060 0.000 0.770 407 L CB -0.436 41.459 42.059 -0.273 0.000 0.914 407 L HN 0.376 nan 8.230 nan 0.000 0.439 408 L N -0.705 120.496 121.223 -0.037 0.000 2.017 408 L HA -0.221 4.117 4.340 -0.003 0.000 0.208 408 L C 2.562 179.446 176.870 0.023 0.000 1.073 408 L CA 1.219 56.050 54.840 -0.015 0.000 0.745 408 L CB -0.319 41.713 42.059 -0.045 0.000 0.894 408 L HN 0.071 nan 8.230 nan 0.000 0.432 409 V N -0.219 119.703 119.914 0.013 0.000 2.255 409 V HA -0.338 3.781 4.120 -0.003 0.000 0.247 409 V C 2.632 178.729 176.094 0.005 0.000 1.051 409 V CA 2.113 64.420 62.300 0.012 0.000 1.018 409 V CB -0.690 31.144 31.823 0.018 0.000 0.641 409 V HN 0.479 nan 8.190 nan 0.000 0.445 410 R N -1.157 119.352 120.500 0.014 0.000 2.103 410 R HA -0.228 4.111 4.340 -0.003 0.000 0.242 410 R C 2.268 178.475 176.300 -0.157 0.000 1.142 410 R CA 2.275 58.348 56.100 -0.044 0.000 0.960 410 R CB -0.350 29.949 30.300 -0.001 0.000 0.858 410 R HN 0.564 nan 8.270 nan 0.000 0.439 411 Y N -0.403 119.858 120.300 -0.064 0.000 2.420 411 Y HA 0.015 4.563 4.550 -0.003 0.000 0.292 411 Y C 2.419 178.279 175.900 -0.066 0.000 1.119 411 Y CA 1.357 59.419 58.100 -0.063 0.000 1.229 411 Y CB 0.058 38.459 38.460 -0.097 0.000 1.026 411 Y HN 0.080 nan 8.280 nan 0.000 0.554 412 T N -0.258 114.316 114.554 0.034 0.000 2.915 412 T HA -0.126 4.223 4.350 -0.003 0.000 0.269 412 T C 1.680 176.315 174.700 -0.107 0.000 1.071 412 T CA 1.268 63.346 62.100 -0.037 0.000 1.132 412 T CB -0.083 68.762 68.868 -0.038 0.000 0.878 412 T HN 0.300 nan 8.240 nan 0.000 0.479 413 K N 0.759 121.102 120.400 -0.095 0.000 2.167 413 K HA 0.068 4.387 4.320 -0.003 0.000 0.203 413 K C 2.296 178.823 176.600 -0.122 0.000 1.052 413 K CA 0.686 56.906 56.287 -0.111 0.000 0.956 413 K CB 0.017 32.475 32.500 -0.070 0.000 0.735 413 K HN 0.118 nan 8.250 nan 0.000 0.451 414 K N 1.183 121.508 120.400 -0.125 0.000 1.984 414 K HA -0.093 4.226 4.320 -0.003 0.000 0.209 414 K C 0.811 177.369 176.600 -0.070 0.000 1.046 414 K CA 1.289 57.505 56.287 -0.119 0.000 0.934 414 K CB 0.328 32.702 32.500 -0.209 0.000 0.717 414 K HN 0.071 nan 8.250 nan 0.000 0.438 415 V N -2.003 117.885 119.914 -0.044 0.000 2.454 415 V HA 0.396 4.515 4.120 -0.003 0.000 0.255 415 V C -2.505 173.550 176.094 -0.064 0.000 1.009 415 V CA -1.520 60.774 62.300 -0.011 0.000 1.149 415 V CB 0.925 32.797 31.823 0.081 0.000 1.418 415 V HN 0.022 nan 8.190 nan 0.000 0.567 416 P HA -0.079 nan 4.420 nan 0.000 0.223 416 P C 1.367 178.543 177.300 -0.207 0.000 1.144 416 P CA 1.272 64.144 63.100 -0.380 0.000 0.783 416 P CB 0.249 31.364 31.700 -0.975 0.000 0.771 417 Q N -1.194 118.577 119.800 -0.049 0.000 2.245 417 Q HA 0.009 4.347 4.340 -0.003 0.000 0.201 417 Q C 0.640 176.677 176.000 0.062 0.000 0.955 417 Q CA 0.356 56.195 55.803 0.060 0.000 0.870 417 Q CB -0.728 28.074 28.738 0.106 0.000 0.945 417 Q HN 0.084 nan 8.270 nan 0.000 0.461 418 V N 1.226 121.179 119.914 0.064 0.000 2.928 418 V HA -0.089 4.030 4.120 -0.003 0.000 0.307 418 V C 0.707 176.820 176.094 0.033 0.000 1.105 418 V CA -0.071 62.278 62.300 0.082 0.000 1.223 418 V CB 1.012 32.889 31.823 0.091 0.000 0.930 418 V HN 0.208 nan 8.190 nan 0.000 0.499 419 S N 2.655 118.371 115.700 0.027 0.000 2.563 419 S HA -0.013 4.455 4.470 -0.003 0.000 0.284 419 S C 1.428 176.020 174.600 -0.014 0.000 1.331 419 S CA 0.282 58.482 58.200 0.000 0.000 1.047 419 S CB 0.759 63.955 63.200 -0.007 0.000 0.859 419 S HN 0.919 nan 8.310 nan 0.000 0.514 420 T N 5.878 120.414 114.554 -0.030 0.000 2.777 420 T HA -0.005 4.344 4.350 -0.003 0.000 0.266 420 T C -1.031 173.645 174.700 -0.040 0.000 1.040 420 T CA 1.334 63.409 62.100 -0.043 0.000 1.141 420 T CB -1.010 67.819 68.868 -0.065 0.000 0.868 420 T HN 0.563 nan 8.240 nan 0.000 0.444 421 P HA -0.071 nan 4.420 nan 0.000 0.216 421 P C 1.561 178.842 177.300 -0.032 0.000 1.153 421 P CA 1.294 64.373 63.100 -0.035 0.000 0.858 421 P CB -0.202 31.478 31.700 -0.034 0.000 0.789 422 T N -0.570 113.966 114.554 -0.029 0.000 2.732 422 T HA -0.055 4.294 4.350 -0.003 0.000 0.261 422 T C 1.774 176.447 174.700 -0.046 0.000 1.040 422 T CA 0.915 62.996 62.100 -0.032 0.000 1.145 422 T CB -0.940 67.922 68.868 -0.011 0.000 0.866 422 T HN 0.041 nan 8.240 nan 0.000 0.427 423 L N 0.933 122.134 121.223 -0.037 0.000 2.127 423 L HA -0.114 4.224 4.340 -0.003 0.000 0.211 423 L C 2.549 179.382 176.870 -0.061 0.000 1.089 423 L CA 0.932 55.745 54.840 -0.045 0.000 0.757 423 L CB -0.505 41.538 42.059 -0.027 0.000 0.899 423 L HN 0.181 nan 8.230 nan 0.000 0.434 424 V N -0.475 119.410 119.914 -0.049 0.000 2.323 424 V HA -0.257 3.862 4.120 -0.003 0.000 0.244 424 V C 2.384 178.448 176.094 -0.049 0.000 1.041 424 V CA 1.840 64.115 62.300 -0.043 0.000 1.025 424 V CB -0.326 31.483 31.823 -0.023 0.000 0.656 424 V HN 0.478 nan 8.190 nan 0.000 0.451 425 E N 0.075 120.247 120.200 -0.048 0.000 2.077 425 E HA -0.179 4.170 4.350 -0.003 0.000 0.193 425 E C 2.132 178.684 176.600 -0.080 0.000 0.989 425 E CA 1.547 57.919 56.400 -0.046 0.000 0.800 425 E CB 0.053 29.730 29.700 -0.038 0.000 0.746 425 E HN 0.413 nan 8.360 nan 0.000 0.452 426 V N 0.394 120.237 119.914 -0.118 0.000 2.488 426 V HA -0.157 3.962 4.120 -0.003 0.000 0.246 426 V C 2.242 178.191 176.094 -0.242 0.000 1.046 426 V CA 1.705 63.892 62.300 -0.188 0.000 1.053 426 V CB -0.067 31.622 31.823 -0.223 0.000 0.679 426 V HN 0.228 nan 8.190 nan 0.000 0.458 427 S N -0.241 115.329 115.700 -0.216 0.000 2.406 427 S HA -0.089 4.379 4.470 -0.003 0.000 0.228 427 S C 2.063 176.553 174.600 -0.185 0.000 1.020 427 S CA 0.958 59.010 58.200 -0.245 0.000 0.965 427 S CB -0.219 62.876 63.200 -0.176 0.000 0.798 427 S HN 0.536 nan 8.310 nan 0.000 0.488 428 R N 1.665 122.098 120.500 -0.112 0.000 2.075 428 R HA 0.023 4.362 4.340 -0.003 0.000 0.232 428 R C 1.814 178.090 176.300 -0.040 0.000 1.126 428 R CA 1.329 57.395 56.100 -0.057 0.000 0.963 428 R CB -0.413 29.881 30.300 -0.009 0.000 0.858 428 R HN 0.317 nan 8.270 nan 0.000 0.435 429 N N 0.940 119.609 118.700 -0.052 0.000 2.188 429 N HA -0.105 4.633 4.740 -0.003 0.000 0.184 429 N C 1.869 177.378 175.510 -0.002 0.000 1.018 429 N CA 1.002 54.050 53.050 -0.004 0.000 0.858 429 N CB -0.229 38.225 38.487 -0.056 0.000 0.989 429 N HN 0.176 nan 8.380 nan 0.000 0.426 430 L N 0.129 121.259 121.223 -0.155 0.000 2.083 430 L HA -0.065 4.273 4.340 -0.003 0.000 0.209 430 L C 2.266 179.064 176.870 -0.119 0.000 1.083 430 L CA 1.272 55.998 54.840 -0.189 0.000 0.752 430 L CB -0.846 40.972 42.059 -0.401 0.000 0.899 430 L HN 0.234 nan 8.230 nan 0.000 0.433 431 G N -0.157 108.528 108.800 -0.191 0.000 2.470 431 G HA2 -0.222 3.737 3.960 -0.003 0.000 0.220 431 G HA3 -0.222 3.737 3.960 -0.003 0.000 0.220 431 G C 1.480 176.408 174.900 0.047 0.000 1.121 431 G CA 0.270 45.238 45.100 -0.220 0.000 0.766 431 G HN 0.339 nan 8.290 nan 0.000 0.553 432 K N 0.104 120.536 120.400 0.055 0.000 2.522 432 K HA 0.230 4.549 4.320 -0.003 0.000 0.194 432 K C 1.893 178.439 176.600 -0.090 0.000 1.026 432 K CA -0.231 56.065 56.287 0.015 0.000 1.119 432 K CB 0.555 33.088 32.500 0.056 0.000 0.856 432 K HN 0.208 nan 8.250 nan 0.000 0.513 433 V N 0.232 120.165 119.914 0.030 0.000 2.535 433 V HA -0.043 4.075 4.120 -0.003 0.000 0.246 433 V C 1.984 177.980 176.094 -0.162 0.000 1.045 433 V CA 1.899 64.174 62.300 -0.042 0.000 1.058 433 V CB -0.146 31.818 31.823 0.235 0.000 0.689 433 V HN 0.433 nan 8.190 nan 0.000 0.461 434 G N -0.272 108.400 108.800 -0.212 0.000 2.450 434 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.220 434 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.220 434 G C 1.627 175.908 174.900 -1.033 0.000 1.130 434 G CA 1.295 45.916 45.100 -0.798 0.000 0.760 434 G HN 0.607 nan 8.290 nan 0.000 0.557 435 S N 0.015 115.236 115.700 -0.799 0.000 2.496 435 S HA 0.105 4.574 4.470 -0.003 0.000 0.224 435 S C 1.947 176.432 174.600 -0.190 0.000 0.996 435 S CA 0.621 58.597 58.200 -0.373 0.000 0.927 435 S CB 0.192 63.294 63.200 -0.164 0.000 0.774 435 S HN 0.441 nan 8.310 nan 0.000 0.524 436 K N 0.400 120.669 120.400 -0.217 0.000 2.202 436 K HA 0.156 4.475 4.320 -0.003 0.000 0.201 436 K C 1.504 178.090 176.600 -0.023 0.000 1.051 436 K CA 1.013 57.213 56.287 -0.144 0.000 0.977 436 K CB 0.011 32.357 32.500 -0.258 0.000 0.792 436 K HN 0.381 nan 8.250 nan 0.000 0.469 437 c N -0.326 118.266 118.600 -0.014 0.000 2.800 437 c HA 0.134 4.703 4.570 -0.003 0.000 0.379 437 c C 2.538 176.702 174.090 0.123 0.000 1.304 437 c CA -0.636 55.806 56.329 0.188 0.000 1.960 437 c CB -0.581 41.993 42.510 0.106 0.000 2.599 437 c HN 0.481 nan 8.230 nan 0.000 0.578 438 c N 1.486 120.096 118.600 0.017 0.000 2.409 438 c HA -0.091 4.477 4.570 -0.003 0.000 0.288 438 c C 2.166 176.278 174.090 0.036 0.000 1.395 438 c CA 1.207 57.568 56.329 0.054 0.000 1.792 438 c CB -1.278 41.297 42.510 0.109 0.000 1.847 438 c HN 0.571 nan 8.230 nan 0.000 0.534 439 K N 0.733 121.103 120.400 -0.050 0.000 2.745 439 K HA 0.105 4.423 4.320 -0.003 0.000 0.223 439 K C -0.091 176.324 176.600 -0.309 0.000 1.057 439 K CA 0.339 56.538 56.287 -0.147 0.000 1.217 439 K CB -0.637 31.755 32.500 -0.180 0.000 0.993 439 K HN 0.555 nan 8.250 nan 0.000 0.478 440 H N -0.144 118.932 119.070 0.010 0.000 2.821 440 H HA 0.332 4.886 4.556 -0.003 0.000 0.373 440 H C -2.520 172.815 175.328 0.010 0.000 1.165 440 H CA -2.261 53.791 56.048 0.006 0.000 1.154 440 H CB 1.627 31.389 29.762 -0.000 0.000 1.765 440 H HN 0.056 nan 8.280 nan 0.000 0.549 441 P HA 0.015 nan 4.420 nan 0.000 0.269 441 P C 0.285 177.632 177.300 0.078 0.000 1.209 441 P CA -0.020 63.130 63.100 0.084 0.000 0.776 441 P CB 1.222 32.960 31.700 0.063 0.000 0.876 442 E N 1.148 121.384 120.200 0.059 0.000 2.401 442 E HA -0.246 4.103 4.350 -0.003 0.000 0.204 442 E C 1.716 178.347 176.600 0.051 0.000 1.036 442 E CA 1.580 58.012 56.400 0.054 0.000 0.856 442 E CB -0.293 29.434 29.700 0.045 0.000 0.770 442 E HN 0.523 nan 8.360 nan 0.000 0.527 443 A N 1.473 124.320 122.820 0.044 0.000 1.844 443 A HA -0.109 4.209 4.320 -0.003 0.000 0.212 443 A C 1.881 179.474 177.584 0.016 0.000 1.221 443 A CA 1.009 53.066 52.037 0.033 0.000 0.607 443 A CB -0.160 18.850 19.000 0.018 0.000 0.878 443 A HN 0.012 nan 8.150 nan 0.000 0.451 444 K N -0.079 120.315 120.400 -0.010 0.000 2.360 444 K HA -0.113 4.205 4.320 -0.003 0.000 0.201 444 K C 2.103 178.643 176.600 -0.100 0.000 1.046 444 K CA 1.103 57.331 56.287 -0.098 0.000 0.940 444 K CB -0.160 32.217 32.500 -0.206 0.000 0.748 444 K HN 0.376 nan 8.250 nan 0.000 0.465 445 R N 0.593 121.092 120.500 -0.002 0.000 2.097 445 R HA -0.192 4.147 4.340 -0.003 0.000 0.236 445 R C 2.414 178.723 176.300 0.016 0.000 1.135 445 R CA 2.180 58.296 56.100 0.028 0.000 0.934 445 R CB -0.403 29.932 30.300 0.059 0.000 0.846 445 R HN 0.260 nan 8.270 nan 0.000 0.431 446 M N 1.254 120.867 119.600 0.022 0.000 2.082 446 M HA -0.097 4.382 4.480 -0.003 0.000 0.258 446 M C -0.979 175.328 176.300 0.010 0.000 1.069 446 M CA 1.889 57.201 55.300 0.020 0.000 1.102 446 M CB -0.698 31.916 32.600 0.023 0.000 1.336 446 M HN -0.038 nan 8.290 nan 0.000 0.404 447 P HA -0.088 nan 4.420 nan 0.000 0.219 447 P C 1.806 179.099 177.300 -0.011 0.000 1.150 447 P CA 1.342 64.433 63.100 -0.016 0.000 0.814 447 P CB -0.459 31.214 31.700 -0.044 0.000 0.787 448 c N 0.290 118.866 118.600 -0.039 0.000 2.442 448 c HA 0.037 4.605 4.570 -0.003 0.000 0.279 448 c C 2.990 177.113 174.090 0.056 0.000 1.237 448 c CA 1.716 58.028 56.329 -0.029 0.000 1.722 448 c CB -1.538 40.917 42.510 -0.092 0.000 2.056 448 c HN 0.235 nan 8.230 nan 0.000 0.469 449 A N 0.234 123.091 122.820 0.062 0.000 1.825 449 A HA -0.148 4.171 4.320 -0.003 0.000 0.214 449 A C 2.073 179.735 177.584 0.130 0.000 1.206 449 A CA 1.926 54.033 52.037 0.116 0.000 0.609 449 A CB -1.309 17.743 19.000 0.086 0.000 0.851 449 A HN 0.774 nan 8.150 nan 0.000 0.445 450 E N 0.133 120.375 120.200 0.071 0.000 2.065 450 E HA -0.279 4.069 4.350 -0.003 0.000 0.201 450 E C 1.458 178.085 176.600 0.044 0.000 1.016 450 E CA 1.998 58.424 56.400 0.043 0.000 0.818 450 E CB -0.291 29.415 29.700 0.010 0.000 0.749 450 E HN 0.552 nan 8.360 nan 0.000 0.453 451 D N -0.766 119.671 120.400 0.062 0.000 2.144 451 D HA -0.183 4.455 4.640 -0.003 0.000 0.199 451 D C 1.761 178.110 176.300 0.082 0.000 0.984 451 D CA 1.190 55.236 54.000 0.077 0.000 0.834 451 D CB -0.395 40.463 40.800 0.097 0.000 0.955 451 D HN 0.355 nan 8.370 nan 0.000 0.465 452 Y N 1.702 121.999 120.300 -0.005 0.000 2.200 452 Y HA -0.119 4.430 4.550 -0.003 0.000 0.290 452 Y C 2.192 178.066 175.900 -0.044 0.000 1.137 452 Y CA 1.079 59.168 58.100 -0.018 0.000 1.163 452 Y CB -0.460 37.992 38.460 -0.014 0.000 0.988 452 Y HN -0.116 nan 8.280 nan 0.000 0.518 453 L N -0.756 120.397 121.223 -0.116 0.000 2.187 453 L HA -0.228 4.110 4.340 -0.003 0.000 0.213 453 L C 2.427 179.152 176.870 -0.242 0.000 1.100 453 L CA 1.425 56.134 54.840 -0.220 0.000 0.765 453 L CB -0.659 41.361 42.059 -0.064 0.000 0.904 453 L HN 0.147 nan 8.230 nan 0.000 0.437 454 S N -0.734 114.871 115.700 -0.158 0.000 2.387 454 S HA -0.091 4.378 4.470 -0.003 0.000 0.226 454 S C 2.011 176.500 174.600 -0.186 0.000 1.026 454 S CA 0.777 58.896 58.200 -0.135 0.000 0.972 454 S CB -0.011 63.149 63.200 -0.067 0.000 0.814 454 S HN 0.154 nan 8.310 nan 0.000 0.477 455 V N 1.604 121.385 119.914 -0.222 0.000 2.515 455 V HA -0.090 4.028 4.120 -0.003 0.000 0.250 455 V C 2.147 178.069 176.094 -0.288 0.000 1.058 455 V CA 1.184 63.346 62.300 -0.229 0.000 1.064 455 V CB -0.478 31.233 31.823 -0.187 0.000 0.675 455 V HN 0.333 nan 8.190 nan 0.000 0.461 456 V N -0.568 119.099 119.914 -0.412 0.000 2.302 456 V HA -0.152 3.966 4.120 -0.003 0.000 0.243 456 V C 2.249 178.145 176.094 -0.330 0.000 1.036 456 V CA 1.453 63.515 62.300 -0.396 0.000 1.020 456 V CB -0.505 31.013 31.823 -0.509 0.000 0.657 456 V HN 0.394 nan 8.190 nan 0.000 0.453 457 L N 0.811 121.826 121.223 -0.346 0.000 2.187 457 L HA -0.211 4.128 4.340 -0.003 0.000 0.213 457 L C 2.390 179.126 176.870 -0.224 0.000 1.100 457 L CA 1.991 56.613 54.840 -0.363 0.000 0.765 457 L CB -0.737 41.108 42.059 -0.357 0.000 0.904 457 L HN 0.486 nan 8.230 nan 0.000 0.437 458 N N -0.145 118.452 118.700 -0.172 0.000 2.331 458 N HA -0.215 4.523 4.740 -0.003 0.000 0.180 458 N C 1.885 177.323 175.510 -0.120 0.000 1.019 458 N CA 0.826 53.808 53.050 -0.114 0.000 0.881 458 N CB 0.046 38.459 38.487 -0.123 0.000 0.972 458 N HN 0.268 nan 8.380 nan 0.000 0.435 459 Q N -0.391 119.317 119.800 -0.153 0.000 2.079 459 Q HA -0.141 4.198 4.340 -0.003 0.000 0.200 459 Q C 1.872 177.808 176.000 -0.106 0.000 0.974 459 Q CA 1.090 56.816 55.803 -0.128 0.000 0.840 459 Q CB -0.099 28.553 28.738 -0.143 0.000 0.898 459 Q HN 0.446 nan 8.270 nan 0.000 0.430 460 L N 0.309 121.447 121.223 -0.141 0.000 2.005 460 L HA -0.174 4.164 4.340 -0.003 0.000 0.207 460 L C 2.350 179.202 176.870 -0.030 0.000 1.072 460 L CA 1.746 56.519 54.840 -0.112 0.000 0.744 460 L CB -0.951 40.973 42.059 -0.225 0.000 0.895 460 L HN 0.323 nan 8.230 nan 0.000 0.433 461 c N -0.880 117.703 118.600 -0.028 0.000 2.376 461 c HA -0.221 4.348 4.570 -0.003 0.000 0.275 461 c C 2.879 176.998 174.090 0.049 0.000 1.200 461 c CA 1.437 57.789 56.329 0.037 0.000 1.756 461 c CB -1.402 41.142 42.510 0.055 0.000 2.050 461 c HN 0.654 nan 8.230 nan 0.000 0.460 462 V N -0.047 119.865 119.914 -0.003 0.000 2.407 462 V HA -0.158 3.960 4.120 -0.003 0.000 0.248 462 V C 2.075 178.177 176.094 0.014 0.000 1.055 462 V CA 2.007 64.299 62.300 -0.014 0.000 1.049 462 V CB -1.043 30.731 31.823 -0.080 0.000 0.662 462 V HN 0.618 nan 8.190 nan 0.000 0.455 463 L N 0.117 121.350 121.223 0.016 0.000 2.141 463 L HA -0.106 4.232 4.340 -0.003 0.000 0.209 463 L C 2.711 179.620 176.870 0.065 0.000 1.094 463 L CA 2.286 57.140 54.840 0.023 0.000 0.763 463 L CB -0.853 41.208 42.059 0.004 0.000 0.908 463 L HN 0.544 nan 8.230 nan 0.000 0.437 464 H N -0.198 118.865 119.070 -0.011 0.000 2.497 464 H HA -0.103 4.451 4.556 -0.003 0.000 0.282 464 H C 2.240 177.570 175.328 0.005 0.000 1.003 464 H CA 1.064 57.114 56.048 0.004 0.000 1.307 464 H CB 0.386 30.164 29.762 0.026 0.000 1.437 464 H HN 0.276 nan 8.280 nan 0.000 0.544 465 E N 1.007 121.303 120.200 0.159 0.000 2.077 465 E HA -0.245 4.103 4.350 -0.003 0.000 0.193 465 E C 2.069 178.659 176.600 -0.016 0.000 0.989 465 E CA 1.096 57.547 56.400 0.084 0.000 0.800 465 E CB -0.003 29.737 29.700 0.068 0.000 0.746 465 E HN 0.465 nan 8.360 nan 0.000 0.452 466 K N 0.138 120.526 120.400 -0.019 0.000 1.980 466 K HA -0.152 4.167 4.320 -0.003 0.000 0.223 466 K C 0.577 177.137 176.600 -0.068 0.000 1.052 466 K CA 2.134 58.401 56.287 -0.033 0.000 0.974 466 K CB -0.413 32.075 32.500 -0.021 0.000 0.734 466 K HN 0.194 nan 8.250 nan 0.000 0.447 467 T N 1.508 116.000 114.554 -0.102 0.000 3.145 467 T HA 0.351 4.699 4.350 -0.003 0.000 0.362 467 T C -2.567 171.959 174.700 -0.290 0.000 1.340 467 T CA -2.038 59.980 62.100 -0.137 0.000 1.069 467 T CB 1.092 69.903 68.868 -0.096 0.000 1.129 467 T HN 0.150 nan 8.240 nan 0.000 0.585 468 P HA 0.145 nan 4.420 nan 0.000 0.265 468 P C 0.130 177.211 177.300 -0.365 0.000 1.193 468 P CA -0.207 62.591 63.100 -0.503 0.000 0.765 468 P CB 1.599 33.203 31.700 -0.160 0.000 0.823 469 V N 1.288 120.953 119.914 -0.416 0.000 3.221 469 V HA 0.044 4.163 4.120 -0.003 0.000 0.254 469 V C 0.634 176.801 176.094 0.123 0.000 1.586 469 V CA 0.591 62.847 62.300 -0.073 0.000 1.074 469 V CB 0.541 32.328 31.823 -0.060 0.000 0.912 469 V HN 0.705 nan 8.190 nan 0.000 0.426 470 S N -0.143 115.785 115.700 0.380 0.000 2.605 470 S HA 0.431 4.899 4.470 -0.003 0.000 0.308 470 S C 0.017 174.732 174.600 0.191 0.000 1.113 470 S CA -0.625 57.726 58.200 0.252 0.000 1.049 470 S CB 1.907 65.225 63.200 0.196 0.000 1.001 470 S HN 0.162 nan 8.310 nan 0.000 0.480 471 D N 2.805 123.264 120.400 0.097 0.000 2.104 471 D HA -0.148 4.490 4.640 -0.003 0.000 0.194 471 D C 1.851 178.145 176.300 -0.009 0.000 0.994 471 D CA 1.415 55.445 54.000 0.049 0.000 0.830 471 D CB -0.110 40.706 40.800 0.027 0.000 0.959 471 D HN 0.668 nan 8.370 nan 0.000 0.452 472 R N 0.749 121.228 120.500 -0.035 0.000 2.096 472 R HA -0.058 4.280 4.340 -0.003 0.000 0.235 472 R C 2.493 178.675 176.300 -0.196 0.000 1.127 472 R CA 0.631 56.665 56.100 -0.109 0.000 0.968 472 R CB -0.612 29.630 30.300 -0.096 0.000 0.861 472 R HN 0.077 nan 8.270 nan 0.000 0.440 473 V N 1.069 120.884 119.914 -0.164 0.000 2.237 473 V HA -0.249 3.869 4.120 -0.003 0.000 0.245 473 V C 2.186 178.146 176.094 -0.223 0.000 1.046 473 V CA 2.387 64.547 62.300 -0.233 0.000 1.007 473 V CB -0.650 30.832 31.823 -0.568 0.000 0.638 473 V HN 0.397 nan 8.190 nan 0.000 0.445 474 T N -0.314 114.148 114.554 -0.153 0.000 2.759 474 T HA -0.274 4.074 4.350 -0.003 0.000 0.269 474 T C 1.880 176.554 174.700 -0.043 0.000 1.042 474 T CA 1.938 64.028 62.100 -0.017 0.000 1.140 474 T CB -0.220 68.701 68.868 0.089 0.000 0.864 474 T HN 0.465 nan 8.240 nan 0.000 0.455 475 K N 0.407 120.758 120.400 -0.082 0.000 1.969 475 K HA -0.135 4.184 4.320 -0.003 0.000 0.216 475 K C 2.513 179.036 176.600 -0.130 0.000 1.048 475 K CA 1.784 58.016 56.287 -0.092 0.000 0.948 475 K CB -0.608 31.826 32.500 -0.110 0.000 0.726 475 K HN 0.310 nan 8.250 nan 0.000 0.442 476 c N 0.802 119.237 118.600 -0.275 0.000 2.403 476 c HA -0.169 4.399 4.570 -0.003 0.000 0.277 476 c C 3.013 177.023 174.090 -0.133 0.000 1.248 476 c CA 0.701 56.810 56.329 -0.366 0.000 1.762 476 c CB -1.080 40.811 42.510 -1.032 0.000 2.014 476 c HN 0.665 nan 8.230 nan 0.000 0.486 477 c N -0.619 117.956 118.600 -0.042 0.000 2.476 477 c HA -0.067 4.501 4.570 -0.003 0.000 0.278 477 c C 2.882 177.078 174.090 0.177 0.000 1.274 477 c CA 1.546 57.944 56.329 0.114 0.000 1.713 477 c CB -1.507 41.071 42.510 0.113 0.000 2.039 477 c HN 0.655 nan 8.230 nan 0.000 0.484 478 T N 0.135 114.749 114.554 0.100 0.000 2.896 478 T HA -0.134 4.215 4.350 -0.003 0.000 0.263 478 T C 1.709 176.493 174.700 0.140 0.000 1.050 478 T CA 1.383 63.535 62.100 0.086 0.000 1.140 478 T CB -0.269 68.603 68.868 0.007 0.000 0.877 478 T HN 0.646 nan 8.240 nan 0.000 0.457 479 E N 0.844 121.102 120.200 0.097 0.000 2.118 479 E HA -0.060 4.289 4.350 -0.003 0.000 0.195 479 E C 0.416 177.106 176.600 0.150 0.000 0.992 479 E CA 0.743 57.195 56.400 0.086 0.000 0.804 479 E CB 0.190 29.899 29.700 0.015 0.000 0.741 479 E HN 0.272 nan 8.360 nan 0.000 0.458 480 S N -1.960 113.845 115.700 0.174 0.000 2.602 480 S HA 0.070 4.538 4.470 -0.003 0.000 0.301 480 S C -0.158 174.352 174.600 -0.150 0.000 1.091 480 S CA -0.663 57.581 58.200 0.074 0.000 0.895 480 S CB 0.584 63.787 63.200 0.005 0.000 1.090 480 S HN 0.208 nan 8.310 nan 0.000 0.449 481 L N 5.649 126.484 121.223 -0.647 0.000 2.093 481 L HA 0.178 4.516 4.340 -0.003 0.000 0.208 481 L C 1.983 178.663 176.870 -0.317 0.000 1.085 481 L CA 2.056 56.471 54.840 -0.709 0.000 0.755 481 L CB -0.329 40.967 42.059 -1.271 0.000 0.904 481 L HN 0.670 nan 8.230 nan 0.000 0.435 482 V N -0.186 119.579 119.914 -0.249 0.000 2.667 482 V HA -0.185 3.933 4.120 -0.003 0.000 0.252 482 V C 1.481 177.522 176.094 -0.088 0.000 1.065 482 V CA 1.844 64.064 62.300 -0.133 0.000 1.083 482 V CB -0.779 30.980 31.823 -0.106 0.000 0.692 482 V HN 0.534 nan 8.190 nan 0.000 0.468 483 N N -0.911 117.741 118.700 -0.080 0.000 2.235 483 N HA 0.120 4.859 4.740 -0.003 0.000 0.209 483 N C 1.658 177.159 175.510 -0.015 0.000 1.122 483 N CA -0.189 52.834 53.050 -0.045 0.000 0.845 483 N CB 0.139 38.600 38.487 -0.043 0.000 1.004 483 N HN 0.313 nan 8.380 nan 0.000 0.499 484 R N 0.511 121.013 120.500 0.005 0.000 2.083 484 R HA -0.103 4.236 4.340 -0.003 0.000 0.237 484 R C 2.099 178.524 176.300 0.208 0.000 1.137 484 R CA 1.148 57.314 56.100 0.110 0.000 0.951 484 R CB -0.118 30.265 30.300 0.138 0.000 0.851 484 R HN 0.252 nan 8.270 nan 0.000 0.434 485 R N 0.710 121.277 120.500 0.113 0.000 2.070 485 R HA -0.088 4.250 4.340 -0.003 0.000 0.233 485 R C -0.782 175.591 176.300 0.122 0.000 1.137 485 R CA 1.411 57.584 56.100 0.123 0.000 0.945 485 R CB -1.061 29.268 30.300 0.047 0.000 0.845 485 R HN 0.115 nan 8.270 nan 0.000 0.430 486 P HA -0.154 nan 4.420 nan 0.000 0.215 486 P C 1.577 178.890 177.300 0.022 0.000 1.153 486 P CA 1.116 64.232 63.100 0.027 0.000 0.853 486 P CB -0.206 31.490 31.700 -0.007 0.000 0.788 487 c N -1.782 116.818 118.600 -0.000 0.000 2.413 487 c HA -0.174 4.394 4.570 -0.003 0.000 0.277 487 c C 2.417 176.447 174.090 -0.101 0.000 1.228 487 c CA 0.879 57.154 56.329 -0.089 0.000 1.731 487 c CB -2.087 40.311 42.510 -0.186 0.000 2.042 487 c HN 0.071 nan 8.230 nan 0.000 0.468 488 F N 1.017 120.962 119.950 -0.009 0.000 2.186 488 F HA -0.058 4.467 4.527 -0.003 0.000 0.299 488 F C 2.840 178.622 175.800 -0.030 0.000 1.090 488 F CA 1.862 59.864 58.000 0.003 0.000 1.307 488 F CB -0.670 38.387 39.000 0.095 0.000 1.019 488 F HN 0.143 nan 8.300 nan 0.000 0.489 489 S N -0.485 115.316 115.700 0.169 0.000 2.383 489 S HA -0.098 4.370 4.470 -0.003 0.000 0.227 489 S C 2.218 176.825 174.600 0.012 0.000 1.026 489 S CA 0.961 59.208 58.200 0.079 0.000 0.981 489 S CB -0.444 62.804 63.200 0.080 0.000 0.818 489 S HN 0.333 nan 8.310 nan 0.000 0.472 490 A N 0.593 123.413 122.820 -0.000 0.000 2.119 490 A HA 0.281 4.599 4.320 -0.003 0.000 0.216 490 A C 0.850 178.407 177.584 -0.046 0.000 1.152 490 A CA 0.163 52.185 52.037 -0.025 0.000 0.708 490 A CB -0.297 18.686 19.000 -0.028 0.000 0.805 490 A HN 0.404 nan 8.150 nan 0.000 0.460 491 L N 0.206 121.393 121.223 -0.060 0.000 2.483 491 L HA 0.190 4.529 4.340 -0.003 0.000 0.275 491 L C 0.419 177.242 176.870 -0.078 0.000 1.220 491 L CA 0.080 54.873 54.840 -0.079 0.000 0.833 491 L CB 0.475 42.480 42.059 -0.089 0.000 1.102 491 L HN 0.312 nan 8.230 nan 0.000 0.490 492 E N 0.679 120.839 120.200 -0.068 0.000 2.392 492 E HA 0.259 4.608 4.350 -0.003 0.000 0.269 492 E C -1.195 175.371 176.600 -0.056 0.000 0.924 492 E CA -0.715 55.648 56.400 -0.062 0.000 0.784 492 E CB 2.010 31.686 29.700 -0.040 0.000 1.292 492 E HN 0.214 nan 8.360 nan 0.000 0.447 493 V N 2.402 122.286 119.914 -0.051 0.000 2.742 493 V HA -0.077 4.041 4.120 -0.003 0.000 0.302 493 V C -0.358 175.726 176.094 -0.016 0.000 1.133 493 V CA 0.712 62.989 62.300 -0.038 0.000 1.284 493 V CB 0.318 32.129 31.823 -0.019 0.000 0.850 493 V HN 0.635 nan 8.190 nan 0.000 0.494 494 D N 5.693 126.085 120.400 -0.013 0.000 2.359 494 D HA 0.129 4.768 4.640 -0.003 0.000 0.250 494 D C 1.035 177.378 176.300 0.072 0.000 1.264 494 D CA -0.010 54.003 54.000 0.021 0.000 0.911 494 D CB 0.954 41.764 40.800 0.016 0.000 1.056 494 D HN 0.719 nan 8.370 nan 0.000 0.499 495 E N 1.604 121.839 120.200 0.057 0.000 2.482 495 E HA -0.053 4.296 4.350 -0.003 0.000 0.196 495 E C 1.207 177.856 176.600 0.081 0.000 1.047 495 E CA 0.454 56.895 56.400 0.068 0.000 0.869 495 E CB 0.174 29.898 29.700 0.040 0.000 0.836 495 E HN 0.435 nan 8.360 nan 0.000 0.520 496 T N 0.523 115.130 114.554 0.089 0.000 3.085 496 T HA -0.102 4.247 4.350 -0.003 0.000 0.263 496 T C 0.491 175.268 174.700 0.128 0.000 1.127 496 T CA -0.015 62.136 62.100 0.085 0.000 1.103 496 T CB -0.309 68.604 68.868 0.075 0.000 0.921 496 T HN 0.115 nan 8.240 nan 0.000 0.510 497 Y N 2.659 122.971 120.300 0.020 0.000 2.721 497 Y HA 0.212 4.760 4.550 -0.003 0.000 0.329 497 Y C 0.040 175.961 175.900 0.034 0.000 1.211 497 Y CA -0.990 57.127 58.100 0.028 0.000 1.512 497 Y CB 0.255 38.733 38.460 0.030 0.000 1.249 497 Y HN -0.097 nan 8.280 nan 0.000 0.549 498 V N 10.201 129.738 119.914 -0.627 0.000 2.275 498 V HA 0.422 4.540 4.120 -0.003 0.000 0.272 498 V C -2.362 173.186 176.094 -0.910 0.000 1.028 498 V CA -2.267 59.704 62.300 -0.548 0.000 0.810 498 V CB 0.465 32.151 31.823 -0.227 0.000 1.043 498 V HN 0.734 nan 8.190 nan 0.000 0.453 499 P HA 0.244 nan 4.420 nan 0.000 0.270 499 P C -1.160 176.096 177.300 -0.073 0.000 1.223 499 P CA -0.209 62.662 63.100 -0.381 0.000 0.785 499 P CB 0.446 32.104 31.700 -0.068 0.000 0.923 500 K N 1.662 122.151 120.400 0.149 0.000 2.389 500 K HA 0.104 4.423 4.320 -0.003 0.000 0.261 500 K C 0.911 177.527 176.600 0.027 0.000 1.014 500 K CA -0.359 55.994 56.287 0.111 0.000 0.920 500 K CB 0.569 33.167 32.500 0.163 0.000 1.149 500 K HN 0.290 nan 8.250 nan 0.000 0.444 501 E N 3.386 123.572 120.200 -0.022 0.000 2.358 501 E HA -0.281 4.067 4.350 -0.003 0.000 0.250 501 E C -0.725 175.768 176.600 -0.179 0.000 0.987 501 E CA 2.298 58.668 56.400 -0.050 0.000 1.029 501 E CB -0.062 29.639 29.700 0.002 0.000 0.979 501 E HN 0.474 nan 8.360 nan 0.000 0.533 502 F N -0.630 119.125 119.950 -0.326 0.000 2.688 502 F HA 0.319 4.845 4.527 -0.002 0.000 0.332 502 F C -1.796 173.959 175.800 -0.074 0.000 1.131 502 F CA -0.751 57.048 58.000 -0.335 0.000 1.113 502 F CB 0.643 39.500 39.000 -0.239 0.000 1.359 502 F HN -0.009 nan 8.300 nan 0.000 0.551 503 N N 4.073 122.535 118.700 -0.397 0.000 2.455 503 N HA 0.589 5.327 4.740 -0.003 0.000 0.280 503 N C 0.590 176.004 175.510 -0.161 0.000 1.055 503 N CA 0.353 53.313 53.050 -0.151 0.000 0.961 503 N CB 1.972 40.401 38.487 -0.096 0.000 1.121 503 N HN 0.684 nan 8.380 nan 0.000 0.476 504 A N 1.972 124.854 122.820 0.102 0.000 1.897 504 A HA -0.121 4.198 4.320 -0.003 0.000 0.215 504 A C 1.843 179.504 177.584 0.127 0.000 1.181 504 A CA 1.059 53.237 52.037 0.235 0.000 0.620 504 A CB -0.443 18.686 19.000 0.215 0.000 0.821 504 A HN 0.715 nan 8.150 nan 0.000 0.443 505 E N -0.052 120.172 120.200 0.040 0.000 2.396 505 E HA -0.108 4.240 4.350 -0.003 0.000 0.200 505 E C 0.863 177.397 176.600 -0.110 0.000 1.023 505 E CA 1.631 58.020 56.400 -0.019 0.000 0.857 505 E CB -0.220 29.462 29.700 -0.031 0.000 0.775 505 E HN 0.514 nan 8.360 nan 0.000 0.525 506 T N -1.063 113.375 114.554 -0.193 0.000 3.132 506 T HA 0.201 4.549 4.350 -0.003 0.000 0.274 506 T C -0.048 174.191 174.700 -0.767 0.000 1.011 506 T CA -0.264 61.570 62.100 -0.443 0.000 0.899 506 T CB -0.007 68.563 68.868 -0.497 0.000 1.089 506 T HN 0.051 nan 8.240 nan 0.000 0.543 507 F N 2.142 121.937 119.950 -0.258 0.000 2.735 507 F HA 0.216 4.742 4.527 -0.002 0.000 0.308 507 F C 0.908 176.592 175.800 -0.192 0.000 1.112 507 F CA -0.701 57.127 58.000 -0.287 0.000 1.235 507 F CB 0.440 39.408 39.000 -0.053 0.000 1.027 507 F HN -0.013 nan 8.300 nan 0.000 0.528 508 T N -1.358 113.170 114.554 -0.045 0.000 2.811 508 T HA 0.447 4.795 4.350 -0.003 0.000 0.309 508 T C -0.336 174.459 174.700 0.157 0.000 1.005 508 T CA -0.389 61.816 62.100 0.174 0.000 0.955 508 T CB -0.303 68.678 68.868 0.188 0.000 0.970 508 T HN -0.106 nan 8.240 nan 0.000 0.496 509 F N 2.020 122.240 119.950 0.450 0.000 2.389 509 F HA 0.364 4.890 4.527 -0.001 0.000 0.337 509 F C 1.481 177.644 175.800 0.606 0.000 1.112 509 F CA -0.496 57.816 58.000 0.520 0.000 1.192 509 F CB 0.745 40.206 39.000 0.767 0.000 1.185 509 F HN 0.543 nan 8.300 nan 0.000 0.552 510 H N 0.110 119.302 119.070 0.203 0.000 2.651 510 H HA 0.409 4.963 4.556 -0.003 0.000 0.353 510 H C 0.588 175.394 175.328 -0.871 0.000 1.178 510 H CA -0.346 55.602 56.048 -0.168 0.000 1.224 510 H CB 2.067 31.781 29.762 -0.080 0.000 1.702 510 H HN 0.751 nan 8.280 nan 0.000 0.550 511 A N 1.302 123.567 122.820 -0.924 0.000 1.940 511 A HA -0.213 4.106 4.320 -0.003 0.000 0.219 511 A C 1.814 179.123 177.584 -0.457 0.000 1.176 511 A CA 1.900 53.392 52.037 -0.907 0.000 0.631 511 A CB -0.537 18.204 19.000 -0.431 0.000 0.814 511 A HN 0.903 nan 8.150 nan 0.000 0.446 512 D N 0.026 120.288 120.400 -0.230 0.000 2.354 512 D HA -0.169 4.470 4.640 -0.003 0.000 0.216 512 D C 1.602 177.850 176.300 -0.086 0.000 0.970 512 D CA 1.038 54.976 54.000 -0.104 0.000 0.905 512 D CB -0.457 40.328 40.800 -0.025 0.000 0.903 512 D HN 0.576 nan 8.370 nan 0.000 0.508 513 I N 0.444 120.935 120.570 -0.132 0.000 2.916 513 I HA -0.177 3.991 4.170 -0.003 0.000 0.267 513 I C 1.148 177.256 176.117 -0.016 0.000 1.263 513 I CA 0.463 61.749 61.300 -0.023 0.000 1.471 513 I CB 0.001 38.048 38.000 0.078 0.000 1.089 513 I HN 0.067 nan 8.210 nan 0.000 0.468 514 c N 0.316 118.875 118.600 -0.069 0.000 2.618 514 c HA 0.053 4.622 4.570 -0.003 0.000 0.264 514 c C 2.465 176.548 174.090 -0.013 0.000 1.334 514 c CA 0.860 57.177 56.329 -0.020 0.000 1.731 514 c CB -1.528 40.967 42.510 -0.026 0.000 1.852 514 c HN 0.654 nan 8.230 nan 0.000 0.566 515 T N -2.215 112.328 114.554 -0.018 0.000 3.022 515 T HA 0.295 4.643 4.350 -0.003 0.000 0.250 515 T C 0.469 175.172 174.700 0.006 0.000 1.060 515 T CA 0.122 62.218 62.100 -0.006 0.000 1.013 515 T CB -0.056 68.806 68.868 -0.011 0.000 0.982 515 T HN 0.322 nan 8.240 nan 0.000 0.508 516 L N 2.821 124.051 121.223 0.012 0.000 2.466 516 L HA 0.447 4.786 4.340 -0.003 0.000 0.257 516 L C 1.149 178.034 176.870 0.026 0.000 1.189 516 L CA -0.945 53.909 54.840 0.023 0.000 0.813 516 L CB 0.576 42.655 42.059 0.033 0.000 1.118 516 L HN 0.290 nan 8.230 nan 0.000 0.471 517 S N -0.524 115.194 115.700 0.031 0.000 2.596 517 S HA -0.015 4.454 4.470 -0.003 0.000 0.260 517 S C 0.744 175.363 174.600 0.032 0.000 1.336 517 S CA -0.336 57.882 58.200 0.030 0.000 0.993 517 S CB 0.995 64.215 63.200 0.035 0.000 0.923 517 S HN 0.661 nan 8.310 nan 0.000 0.567 518 E N 0.644 120.858 120.200 0.023 0.000 2.338 518 E HA -0.039 4.310 4.350 -0.003 0.000 0.197 518 E C 1.508 178.125 176.600 0.028 0.000 1.007 518 E CA 1.317 57.725 56.400 0.014 0.000 0.849 518 E CB -0.228 29.469 29.700 -0.005 0.000 0.774 518 E HN 0.730 nan 8.360 nan 0.000 0.506 519 K N 0.115 120.543 120.400 0.046 0.000 1.991 519 K HA -0.058 4.261 4.320 -0.003 0.000 0.207 519 K C 2.124 178.774 176.600 0.083 0.000 1.045 519 K CA 1.517 57.846 56.287 0.070 0.000 0.937 519 K CB -0.127 32.413 32.500 0.067 0.000 0.720 519 K HN 0.133 nan 8.250 nan 0.000 0.438 520 E N 0.644 120.886 120.200 0.069 0.000 2.118 520 E HA -0.203 4.145 4.350 -0.003 0.000 0.195 520 E C 2.128 178.784 176.600 0.092 0.000 0.992 520 E CA 0.891 57.335 56.400 0.073 0.000 0.804 520 E CB -0.046 29.689 29.700 0.057 0.000 0.741 520 E HN 0.178 nan 8.360 nan 0.000 0.458 521 R N 0.925 121.478 120.500 0.087 0.000 2.120 521 R HA -0.167 4.171 4.340 -0.003 0.000 0.234 521 R C 2.092 178.474 176.300 0.136 0.000 1.123 521 R CA 1.401 57.564 56.100 0.104 0.000 0.975 521 R CB 0.085 30.425 30.300 0.067 0.000 0.866 521 R HN 0.214 nan 8.270 nan 0.000 0.446 522 Q N -0.357 119.526 119.800 0.138 0.000 2.297 522 Q HA -0.045 4.293 4.340 -0.003 0.000 0.204 522 Q C 1.903 178.060 176.000 0.261 0.000 0.962 522 Q CA 0.970 56.922 55.803 0.249 0.000 0.879 522 Q CB 0.195 29.112 28.738 0.299 0.000 0.947 522 Q HN 0.422 nan 8.270 nan 0.000 0.462 523 I N 0.238 120.912 120.570 0.175 0.000 2.500 523 I HA -0.195 3.974 4.170 -0.003 0.000 0.252 523 I C 2.111 178.304 176.117 0.127 0.000 1.142 523 I CA 0.676 62.052 61.300 0.128 0.000 1.451 523 I CB -0.071 37.981 38.000 0.086 0.000 1.093 523 I HN 0.063 nan 8.210 nan 0.000 0.430 524 K N 1.380 121.879 120.400 0.164 0.000 2.025 524 K HA -0.129 4.189 4.320 -0.003 0.000 0.207 524 K C 2.063 178.844 176.600 0.301 0.000 1.049 524 K CA 1.305 57.716 56.287 0.207 0.000 0.933 524 K CB -0.204 32.477 32.500 0.301 0.000 0.714 524 K HN 0.313 nan 8.250 nan 0.000 0.438 525 K N 1.022 121.616 120.400 0.324 0.000 2.026 525 K HA -0.168 4.151 4.320 -0.003 0.000 0.208 525 K C 2.326 179.082 176.600 0.260 0.000 1.048 525 K CA 1.452 57.938 56.287 0.332 0.000 0.929 525 K CB -0.097 32.592 32.500 0.316 0.000 0.713 525 K HN 0.203 nan 8.250 nan 0.000 0.439 526 Q N -0.023 119.896 119.800 0.198 0.000 2.167 526 Q HA -0.110 4.229 4.340 -0.003 0.000 0.202 526 Q C 2.059 178.101 176.000 0.069 0.000 0.970 526 Q CA 1.490 57.357 55.803 0.107 0.000 0.855 526 Q CB -0.045 28.730 28.738 0.062 0.000 0.911 526 Q HN 0.289 nan 8.270 nan 0.000 0.438 527 T N 0.631 115.218 114.554 0.055 0.000 2.746 527 T HA -0.156 4.192 4.350 -0.003 0.000 0.267 527 T C 1.835 176.506 174.700 -0.047 0.000 1.039 527 T CA 1.255 63.345 62.100 -0.017 0.000 1.142 527 T CB -0.202 68.633 68.868 -0.054 0.000 0.866 527 T HN 0.402 nan 8.240 nan 0.000 0.444 528 A N 1.059 123.874 122.820 -0.007 0.000 1.930 528 A HA 0.041 4.359 4.320 -0.003 0.000 0.217 528 A C 2.195 179.889 177.584 0.184 0.000 1.175 528 A CA 1.092 53.130 52.037 0.001 0.000 0.627 528 A CB -0.654 18.397 19.000 0.084 0.000 0.815 528 A HN 0.431 nan 8.150 nan 0.000 0.443 529 L N -0.117 121.215 121.223 0.182 0.000 2.093 529 L HA -0.070 4.268 4.340 -0.003 0.000 0.208 529 L C 2.276 179.207 176.870 0.102 0.000 1.085 529 L CA 1.788 56.737 54.840 0.182 0.000 0.755 529 L CB -0.588 41.562 42.059 0.150 0.000 0.904 529 L HN 0.120 nan 8.230 nan 0.000 0.435 530 V N 0.014 119.953 119.914 0.042 0.000 2.343 530 V HA -0.223 3.896 4.120 -0.003 0.000 0.247 530 V C 2.648 178.718 176.094 -0.039 0.000 1.051 530 V CA 1.823 64.119 62.300 -0.008 0.000 1.036 530 V CB -0.678 31.125 31.823 -0.033 0.000 0.654 530 V HN 0.469 nan 8.190 nan 0.000 0.451 531 E N -0.114 120.059 120.200 -0.045 0.000 2.204 531 E HA -0.134 4.215 4.350 -0.003 0.000 0.194 531 E C 2.206 178.740 176.600 -0.109 0.000 0.989 531 E CA 0.865 57.189 56.400 -0.127 0.000 0.824 531 E CB -0.234 29.374 29.700 -0.154 0.000 0.756 531 E HN 0.515 nan 8.360 nan 0.000 0.477 532 L N 0.283 121.605 121.223 0.166 0.000 1.976 532 L HA -0.185 4.154 4.340 -0.003 0.000 0.209 532 L C 2.548 179.475 176.870 0.096 0.000 1.071 532 L CA 1.088 56.063 54.840 0.226 0.000 0.746 532 L CB -0.760 41.453 42.059 0.258 0.000 0.890 532 L HN 0.007 nan 8.230 nan 0.000 0.432 533 V N -0.128 119.821 119.914 0.058 0.000 2.324 533 V HA -0.297 3.821 4.120 -0.003 0.000 0.250 533 V C 2.272 178.381 176.094 0.026 0.000 1.060 533 V CA 1.625 63.950 62.300 0.040 0.000 1.042 533 V CB -0.713 31.113 31.823 0.005 0.000 0.650 533 V HN 0.425 nan 8.190 nan 0.000 0.450 534 K N -0.731 119.622 120.400 -0.077 0.000 2.585 534 K HA -0.113 4.205 4.320 -0.003 0.000 0.194 534 K C 1.477 178.179 176.600 0.170 0.000 1.037 534 K CA 0.843 57.124 56.287 -0.010 0.000 0.964 534 K CB -0.222 32.212 32.500 -0.110 0.000 0.787 534 K HN 0.639 nan 8.250 nan 0.000 0.488 535 H N -0.498 118.727 119.070 0.259 0.000 2.408 535 H HA 0.141 4.695 4.556 -0.003 0.000 0.271 535 H C 0.400 175.837 175.328 0.182 0.000 0.957 535 H CA 0.273 56.453 56.048 0.219 0.000 1.170 535 H CB 0.635 30.527 29.762 0.217 0.000 1.458 535 H HN -0.041 nan 8.280 nan 0.000 0.491 536 K N 1.803 122.366 120.400 0.272 0.000 2.624 536 K HA 0.242 4.560 4.320 -0.003 0.000 0.200 536 K C -2.560 174.128 176.600 0.145 0.000 1.036 536 K CA -1.621 54.776 56.287 0.183 0.000 1.029 536 K CB 1.680 34.270 32.500 0.150 0.000 1.317 536 K HN -0.072 nan 8.250 nan 0.000 0.555 537 P HA 0.053 nan 4.420 nan 0.000 0.218 537 P C 0.651 178.004 177.300 0.089 0.000 1.151 537 P CA 0.401 63.570 63.100 0.115 0.000 0.850 537 P CB 0.342 32.138 31.700 0.161 0.000 0.801 538 K N 0.095 120.554 120.400 0.097 0.000 2.049 538 K HA -0.148 4.170 4.320 -0.003 0.000 0.219 538 K C 0.759 177.390 176.600 0.051 0.000 1.056 538 K CA 1.768 58.097 56.287 0.069 0.000 0.946 538 K CB -0.641 31.898 32.500 0.064 0.000 0.723 538 K HN 0.099 nan 8.250 nan 0.000 0.453 539 A N 1.469 124.320 122.820 0.052 0.000 2.483 539 A HA 0.310 4.628 4.320 -0.003 0.000 0.308 539 A C -0.827 176.783 177.584 0.044 0.000 1.291 539 A CA -0.654 51.408 52.037 0.041 0.000 0.774 539 A CB 0.750 19.770 19.000 0.033 0.000 1.134 539 A HN 0.211 nan 8.150 nan 0.000 0.471 540 T N 0.421 115.000 114.554 0.041 0.000 3.068 540 T HA 0.448 4.797 4.350 -0.003 0.000 0.364 540 T C -0.069 174.653 174.700 0.036 0.000 1.161 540 T CA -0.801 61.325 62.100 0.043 0.000 1.155 540 T CB 1.017 69.914 68.868 0.049 0.000 1.060 540 T HN 0.457 nan 8.240 nan 0.000 0.513 541 K N 1.887 122.307 120.400 0.034 0.000 2.617 541 K HA 0.290 4.608 4.320 -0.003 0.000 0.298 541 K C 1.807 178.427 176.600 0.034 0.000 0.984 541 K CA -0.366 55.939 56.287 0.030 0.000 1.299 541 K CB 0.467 32.981 32.500 0.025 0.000 1.608 541 K HN 0.720 nan 8.250 nan 0.000 0.730 542 E N 0.902 121.120 120.200 0.031 0.000 2.204 542 E HA -0.259 4.090 4.350 -0.003 0.000 0.195 542 E C 1.753 178.373 176.600 0.034 0.000 0.990 542 E CA 1.482 57.902 56.400 0.034 0.000 0.821 542 E CB -0.378 29.340 29.700 0.029 0.000 0.750 542 E HN 0.504 nan 8.360 nan 0.000 0.477 543 Q N 1.167 120.984 119.800 0.029 0.000 2.197 543 Q HA -0.244 4.094 4.340 -0.003 0.000 0.211 543 Q C 2.271 178.292 176.000 0.035 0.000 0.993 543 Q CA 1.858 57.676 55.803 0.025 0.000 0.883 543 Q CB -0.578 28.172 28.738 0.021 0.000 0.916 543 Q HN 0.422 nan 8.270 nan 0.000 0.418 544 L N 0.516 121.767 121.223 0.046 0.000 2.017 544 L HA -0.158 4.181 4.340 -0.003 0.000 0.208 544 L C 2.733 179.646 176.870 0.071 0.000 1.073 544 L CA 1.773 56.652 54.840 0.064 0.000 0.745 544 L CB -0.411 41.689 42.059 0.067 0.000 0.894 544 L HN 0.325 nan 8.230 nan 0.000 0.432 545 K N -0.419 120.019 120.400 0.063 0.000 2.218 545 K HA -0.220 4.099 4.320 -0.003 0.000 0.205 545 K C 1.950 178.590 176.600 0.068 0.000 1.046 545 K CA 1.341 57.670 56.287 0.070 0.000 0.933 545 K CB 0.011 32.548 32.500 0.062 0.000 0.728 545 K HN 0.353 nan 8.250 nan 0.000 0.454 546 A N 0.144 122.992 122.820 0.048 0.000 1.855 546 A HA -0.068 4.251 4.320 -0.003 0.000 0.213 546 A C 2.131 179.723 177.584 0.014 0.000 1.195 546 A CA 1.129 53.183 52.037 0.028 0.000 0.610 546 A CB -0.460 18.548 19.000 0.012 0.000 0.837 546 A HN 0.105 nan 8.150 nan 0.000 0.444 547 V N -0.103 119.819 119.914 0.014 0.000 2.469 547 V HA -0.321 3.797 4.120 -0.003 0.000 0.251 547 V C 2.574 178.674 176.094 0.010 0.000 1.064 547 V CA 2.422 64.709 62.300 -0.021 0.000 1.066 547 V CB -0.859 30.978 31.823 0.022 0.000 0.667 547 V HN 0.697 nan 8.190 nan 0.000 0.461 548 M N 0.549 120.222 119.600 0.122 0.000 2.123 548 M HA -0.124 4.354 4.480 -0.003 0.000 0.263 548 M C 1.700 178.115 176.300 0.191 0.000 1.069 548 M CA 1.818 57.258 55.300 0.233 0.000 1.133 548 M CB -0.552 32.176 32.600 0.213 0.000 1.356 548 M HN 0.237 nan 8.290 nan 0.000 0.415 549 D N 0.217 120.686 120.400 0.115 0.000 2.265 549 D HA -0.183 4.455 4.640 -0.003 0.000 0.208 549 D C 1.446 177.772 176.300 0.044 0.000 0.977 549 D CA 1.526 55.581 54.000 0.091 0.000 0.871 549 D CB -0.438 40.401 40.800 0.065 0.000 0.925 549 D HN 0.620 nan 8.370 nan 0.000 0.485 550 D N -0.325 120.053 120.400 -0.037 0.000 2.091 550 D HA -0.166 4.472 4.640 -0.003 0.000 0.199 550 D C 1.769 178.054 176.300 -0.025 0.000 0.980 550 D CA 0.734 54.663 54.000 -0.117 0.000 0.831 550 D CB -0.212 40.393 40.800 -0.325 0.000 0.987 550 D HN -0.025 nan 8.370 nan 0.000 0.460 551 F N 1.055 121.053 119.950 0.079 0.000 2.192 551 F HA -0.029 4.499 4.527 0.003 0.000 0.301 551 F C 2.490 178.305 175.800 0.026 0.000 1.079 551 F CA 0.934 58.980 58.000 0.076 0.000 1.303 551 F CB -1.056 37.971 39.000 0.046 0.000 1.024 551 F HN 0.066 nan 8.300 nan 0.000 0.494 552 A N -0.103 122.838 122.820 0.202 0.000 1.877 552 A HA -0.042 4.276 4.320 -0.003 0.000 0.216 552 A C 2.474 180.084 177.584 0.042 0.000 1.186 552 A CA 1.851 53.947 52.037 0.099 0.000 0.620 552 A CB -1.252 17.804 19.000 0.094 0.000 0.822 552 A HN 0.293 nan 8.150 nan 0.000 0.443 553 A N -1.235 121.618 122.820 0.054 0.000 1.898 553 A HA 0.022 4.340 4.320 -0.003 0.000 0.216 553 A C 2.020 179.610 177.584 0.009 0.000 1.181 553 A CA 1.519 53.569 52.037 0.021 0.000 0.620 553 A CB -0.723 18.291 19.000 0.024 0.000 0.819 553 A HN 0.715 nan 8.150 nan 0.000 0.442 554 F N 0.972 120.866 119.950 -0.092 0.000 2.126 554 F HA -0.172 4.352 4.527 -0.005 0.000 0.299 554 F C 2.077 177.706 175.800 -0.286 0.000 1.096 554 F CA 1.971 59.878 58.000 -0.155 0.000 1.255 554 F CB -0.399 38.563 39.000 -0.064 0.000 0.997 554 F HN 0.034 nan 8.300 nan 0.000 0.479 555 V N 0.595 120.218 119.914 -0.485 0.000 2.302 555 V HA -0.182 3.937 4.120 -0.003 0.000 0.243 555 V C 2.443 178.393 176.094 -0.241 0.000 1.036 555 V CA 1.897 63.908 62.300 -0.483 0.000 1.020 555 V CB -0.712 31.015 31.823 -0.159 0.000 0.657 555 V HN 0.206 nan 8.190 nan 0.000 0.453 556 E N 0.645 120.767 120.200 -0.131 0.000 2.070 556 E HA -0.303 4.046 4.350 -0.003 0.000 0.197 556 E C 2.103 178.652 176.600 -0.085 0.000 1.004 556 E CA 1.816 58.173 56.400 -0.071 0.000 0.805 556 E CB -0.319 29.354 29.700 -0.045 0.000 0.744 556 E HN 0.606 nan 8.360 nan 0.000 0.451 557 K N 0.625 120.950 120.400 -0.125 0.000 1.965 557 K HA -0.114 4.205 4.320 -0.003 0.000 0.214 557 K C 2.242 178.760 176.600 -0.137 0.000 1.046 557 K CA 1.766 57.987 56.287 -0.110 0.000 0.944 557 K CB -0.320 32.123 32.500 -0.095 0.000 0.726 557 K HN 0.114 nan 8.250 nan 0.000 0.441 558 c N 0.829 119.248 118.600 -0.301 0.000 2.430 558 c HA -0.044 4.524 4.570 -0.003 0.000 0.288 558 c C 2.663 176.778 174.090 0.041 0.000 1.448 558 c CA 0.163 56.337 56.329 -0.258 0.000 1.784 558 c CB -1.359 40.729 42.510 -0.703 0.000 1.776 558 c HN 0.636 nan 8.230 nan 0.000 0.547 559 c N 0.352 118.984 118.600 0.053 0.000 2.500 559 c HA 0.013 4.582 4.570 -0.003 0.000 0.273 559 c C 1.578 175.701 174.090 0.056 0.000 1.428 559 c CA 0.925 57.336 56.329 0.136 0.000 1.766 559 c CB -1.202 41.365 42.510 0.096 0.000 1.817 559 c HN 0.619 nan 8.230 nan 0.000 0.543 560 K N -0.612 119.802 120.400 0.023 0.000 3.012 560 K HA 0.291 4.610 4.320 -0.003 0.000 0.207 560 K C 0.482 177.088 176.600 0.009 0.000 1.130 560 K CA 0.004 56.299 56.287 0.013 0.000 1.021 560 K CB 0.561 33.062 32.500 0.002 0.000 0.736 560 K HN 0.141 nan 8.250 nan 0.000 0.448 561 A N 1.083 123.914 122.820 0.017 0.000 2.345 561 A HA 0.075 4.393 4.320 -0.003 0.000 0.225 561 A C -0.159 177.437 177.584 0.021 0.000 1.243 561 A CA -0.035 52.011 52.037 0.015 0.000 0.875 561 A CB -0.077 18.933 19.000 0.016 0.000 0.929 561 A HN 0.411 nan 8.150 nan 0.000 0.502 562 D N 1.410 121.823 120.400 0.022 0.000 2.737 562 D HA -0.155 4.483 4.640 -0.003 0.000 0.233 562 D C -0.245 176.068 176.300 0.022 0.000 1.155 562 D CA 1.523 55.534 54.000 0.019 0.000 0.667 562 D CB -1.500 39.308 40.800 0.013 0.000 1.060 562 D HN 0.839 nan 8.370 nan 0.000 0.427 563 D N -0.553 119.866 120.400 0.032 0.000 2.411 563 D HA 0.156 4.795 4.640 -0.003 0.000 0.251 563 D C 0.532 176.850 176.300 0.030 0.000 1.201 563 D CA -0.427 53.596 54.000 0.038 0.000 0.996 563 D CB 1.064 41.900 40.800 0.060 0.000 1.101 563 D HN -0.208 nan 8.370 nan 0.000 0.504 564 K N 0.236 120.655 120.400 0.031 0.000 3.129 564 K HA 0.123 4.441 4.320 -0.003 0.000 0.224 564 K C -0.299 176.312 176.600 0.018 0.000 1.249 564 K CA -0.354 55.946 56.287 0.020 0.000 1.177 564 K CB -0.085 32.427 32.500 0.020 0.000 1.393 564 K HN 0.562 nan 8.250 nan 0.000 0.459 565 E N -1.224 118.987 120.200 0.019 0.000 3.496 565 E HA -0.250 4.098 4.350 -0.003 0.000 0.300 565 E C 0.405 177.039 176.600 0.056 0.000 0.877 565 E CA 1.340 57.742 56.400 0.003 0.000 1.050 565 E CB -1.450 28.212 29.700 -0.064 0.000 1.532 565 E HN 0.421 nan 8.360 nan 0.000 0.447 566 T N -0.197 114.400 114.554 0.071 0.000 2.613 566 T HA -0.228 4.121 4.350 -0.003 0.000 0.248 566 T C 2.181 176.958 174.700 0.128 0.000 1.107 566 T CA 1.345 63.496 62.100 0.085 0.000 1.238 566 T CB -0.908 67.999 68.868 0.064 0.000 0.899 566 T HN 0.621 nan 8.240 nan 0.000 0.400 567 c N 1.222 119.891 118.600 0.115 0.000 2.398 567 c HA -0.144 4.424 4.570 -0.003 0.000 0.279 567 c C 2.361 176.555 174.090 0.172 0.000 1.250 567 c CA 0.424 56.825 56.329 0.121 0.000 1.786 567 c CB -2.127 40.425 42.510 0.069 0.000 2.018 567 c HN 0.407 nan 8.230 nan 0.000 0.494 568 F N 2.226 122.221 119.950 0.075 0.000 2.075 568 F HA 0.066 4.593 4.527 0.000 0.000 0.297 568 F C 2.604 178.603 175.800 0.331 0.000 1.113 568 F CA 2.139 60.195 58.000 0.092 0.000 1.218 568 F CB -0.693 38.289 39.000 -0.029 0.000 0.984 568 F HN 0.311 nan 8.300 nan 0.000 0.472 569 A N -0.217 122.854 122.820 0.419 0.000 1.840 569 A HA -0.109 4.209 4.320 -0.003 0.000 0.214 569 A C 2.099 179.849 177.584 0.277 0.000 1.198 569 A CA 1.471 53.711 52.037 0.338 0.000 0.608 569 A CB -0.740 18.375 19.000 0.192 0.000 0.839 569 A HN 0.340 nan 8.150 nan 0.000 0.443 570 E N 0.253 120.576 120.200 0.206 0.000 2.153 570 E HA -0.161 4.188 4.350 -0.003 0.000 0.194 570 E C 1.786 178.475 176.600 0.148 0.000 0.988 570 E CA 0.969 57.461 56.400 0.152 0.000 0.811 570 E CB -0.271 29.497 29.700 0.113 0.000 0.746 570 E HN 0.580 nan 8.360 nan 0.000 0.466 571 E N 0.196 120.522 120.200 0.210 0.000 2.107 571 E HA -0.057 4.291 4.350 -0.003 0.000 0.191 571 E C 2.184 178.819 176.600 0.058 0.000 0.982 571 E CA 0.907 57.419 56.400 0.185 0.000 0.809 571 E CB -0.458 29.457 29.700 0.357 0.000 0.756 571 E HN 0.341 nan 8.360 nan 0.000 0.459 572 G N 1.673 110.532 108.800 0.099 0.000 2.440 572 G HA2 -0.326 3.633 3.960 -0.003 0.000 0.218 572 G HA3 -0.326 3.633 3.960 -0.003 0.000 0.218 572 G C 1.742 176.680 174.900 0.064 0.000 1.154 572 G CA 1.245 46.315 45.100 -0.051 0.000 0.767 572 G HN 0.192 nan 8.290 nan 0.000 0.552 573 K N 0.671 121.139 120.400 0.113 0.000 2.063 573 K HA -0.066 4.252 4.320 -0.003 0.000 0.208 573 K C 2.397 179.023 176.600 0.044 0.000 1.048 573 K CA 1.199 57.544 56.287 0.097 0.000 0.928 573 K CB -0.054 32.504 32.500 0.097 0.000 0.713 573 K HN 0.120 nan 8.250 nan 0.000 0.442 574 K N -0.022 120.390 120.400 0.021 0.000 2.137 574 K HA 0.080 4.399 4.320 -0.003 0.000 0.202 574 K C 2.018 178.588 176.600 -0.050 0.000 1.052 574 K CA 0.840 57.120 56.287 -0.012 0.000 0.961 574 K CB -0.067 32.431 32.500 -0.004 0.000 0.741 574 K HN 0.222 nan 8.250 nan 0.000 0.452 575 L N 1.389 122.566 121.223 -0.076 0.000 2.240 575 L HA -0.066 4.272 4.340 -0.003 0.000 0.211 575 L C 2.327 179.152 176.870 -0.075 0.000 1.106 575 L CA 0.613 55.371 54.840 -0.136 0.000 0.793 575 L CB -0.803 41.090 42.059 -0.276 0.000 0.927 575 L HN -0.089 nan 8.230 nan 0.000 0.446 576 V N -2.565 117.364 119.914 0.024 0.000 2.626 576 V HA -0.076 4.043 4.120 -0.003 0.000 0.252 576 V C 2.546 178.554 176.094 -0.143 0.000 1.067 576 V CA 1.402 63.756 62.300 0.090 0.000 1.081 576 V CB -0.992 30.984 31.823 0.255 0.000 0.686 576 V HN 0.276 nan 8.190 nan 0.000 0.468 577 A N 0.665 123.406 122.820 -0.132 0.000 1.930 577 A HA 0.272 4.590 4.320 -0.003 0.000 0.215 577 A C 2.466 179.945 177.584 -0.175 0.000 1.176 577 A CA 1.745 53.673 52.037 -0.182 0.000 0.632 577 A CB -0.874 18.058 19.000 -0.112 0.000 0.819 577 A HN 0.833 nan 8.150 nan 0.000 0.445 578 A N 0.622 123.358 122.820 -0.139 0.000 1.877 578 A HA -0.108 4.211 4.320 -0.003 0.000 0.216 578 A C 2.506 180.005 177.584 -0.141 0.000 1.186 578 A CA 2.381 54.340 52.037 -0.131 0.000 0.620 578 A CB -1.042 17.877 19.000 -0.134 0.000 0.822 578 A HN 0.907 nan 8.150 nan 0.000 0.443 579 S N -0.816 114.793 115.700 -0.152 0.000 2.399 579 S HA -0.223 4.246 4.470 -0.003 0.000 0.231 579 S C 1.987 176.509 174.600 -0.129 0.000 1.022 579 S CA 1.288 59.419 58.200 -0.116 0.000 0.983 579 S CB -0.427 62.750 63.200 -0.038 0.000 0.803 579 S HN 0.556 nan 8.310 nan 0.000 0.480 580 Q N 1.732 121.382 119.800 -0.251 0.000 2.084 580 Q HA -0.030 4.308 4.340 -0.003 0.000 0.202 580 Q C 2.369 178.262 176.000 -0.179 0.000 0.978 580 Q CA 1.751 57.357 55.803 -0.327 0.000 0.844 580 Q CB -0.743 27.675 28.738 -0.533 0.000 0.898 580 Q HN 0.675 nan 8.270 nan 0.000 0.426 581 A N 0.771 123.502 122.820 -0.148 0.000 1.978 581 A HA 0.026 4.344 4.320 -0.003 0.000 0.220 581 A C 1.417 178.962 177.584 -0.065 0.000 1.170 581 A CA 1.261 53.239 52.037 -0.098 0.000 0.636 581 A CB -0.671 18.276 19.000 -0.088 0.000 0.810 581 A HN 0.459 nan 8.150 nan 0.000 0.448 582 A N 0.000 122.784 122.820 -0.060 0.000 2.254 582 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 582 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 582 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486