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 2xvq_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVAXXXXXX XXXADccAKQ 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 0.000 174.670 174.600 0.116 0.000 1.055 5 S CA 0.000 58.251 58.200 0.085 0.000 1.107 5 S CB 0.000 63.245 63.200 0.076 0.000 0.593 6 E N 3.338 123.597 120.200 0.097 0.000 2.046 6 E HA -0.006 4.207 4.350 -0.229 0.000 0.190 6 E C 1.817 178.501 176.600 0.141 0.000 0.982 6 E CA 2.139 58.600 56.400 0.101 0.000 0.800 6 E CB -0.338 29.391 29.700 0.049 0.000 0.756 6 E HN 0.562 nan 8.360 nan 0.000 0.449 7 V N 1.241 121.226 119.914 0.119 0.000 2.282 7 V HA -0.342 3.641 4.120 -0.229 0.000 0.249 7 V C 2.402 178.647 176.094 0.250 0.000 1.057 7 V CA 2.091 64.508 62.300 0.195 0.000 1.032 7 V CB -1.193 30.668 31.823 0.063 0.000 0.645 7 V HN 0.434 nan 8.190 nan 0.000 0.447 8 A N -0.571 122.337 122.820 0.147 0.000 1.883 8 A HA -0.309 3.874 4.320 -0.229 0.000 0.217 8 A C 2.223 179.942 177.584 0.224 0.000 1.186 8 A CA 2.145 54.245 52.037 0.105 0.000 0.624 8 A CB -0.915 18.107 19.000 0.037 0.000 0.822 8 A HN 0.708 nan 8.150 nan 0.000 0.444 9 H N 0.562 119.698 119.070 0.111 0.000 2.257 9 H HA -0.179 4.240 4.556 -0.228 0.000 0.292 9 H C 2.199 177.621 175.328 0.156 0.000 1.075 9 H CA 2.389 58.503 56.048 0.110 0.000 1.212 9 H CB -0.277 29.537 29.762 0.087 0.000 1.354 9 H HN 0.297 nan 8.280 nan 0.000 0.497 10 R N -0.208 120.553 120.500 0.435 0.000 2.103 10 R HA -0.164 4.039 4.340 -0.229 0.000 0.242 10 R C 2.572 179.105 176.300 0.388 0.000 1.142 10 R CA 1.214 57.511 56.100 0.330 0.000 0.960 10 R CB -1.659 28.770 30.300 0.216 0.000 0.858 10 R HN 0.361 nan 8.270 nan 0.000 0.439 11 F N 2.178 122.288 119.950 0.267 0.000 2.043 11 F HA -0.319 4.072 4.527 -0.227 0.000 0.297 11 F C 2.785 178.628 175.800 0.072 0.000 1.121 11 F CA 2.837 60.904 58.000 0.111 0.000 1.199 11 F CB -0.739 38.151 39.000 -0.183 0.000 0.968 11 F HN 0.132 nan 8.300 nan 0.000 0.478 12 K N 0.108 120.788 120.400 0.467 0.000 2.074 12 K HA -0.214 3.969 4.320 -0.229 0.000 0.209 12 K C 1.833 178.541 176.600 0.180 0.000 1.048 12 K CA 2.088 58.549 56.287 0.290 0.000 0.926 12 K CB -1.515 31.079 32.500 0.157 0.000 0.713 12 K HN 0.519 nan 8.250 nan 0.000 0.444 13 D N 0.273 120.785 120.400 0.187 0.000 2.097 13 D HA -0.069 4.434 4.640 -0.229 0.000 0.195 13 D C 1.946 178.304 176.300 0.098 0.000 0.989 13 D CA 1.490 55.577 54.000 0.145 0.000 0.827 13 D CB 0.038 40.958 40.800 0.200 0.000 0.966 13 D HN 0.455 nan 8.370 nan 0.000 0.456 14 L N -0.352 120.924 121.223 0.088 0.000 2.354 14 L HA 0.214 4.416 4.340 -0.229 0.000 0.212 14 L C 1.350 178.204 176.870 -0.027 0.000 1.091 14 L CA 0.336 55.196 54.840 0.034 0.000 0.828 14 L CB -0.169 41.917 42.059 0.044 0.000 0.973 14 L HN 0.089 nan 8.230 nan 0.000 0.461 15 G N 1.003 109.745 108.800 -0.097 0.000 2.757 15 G HA2 -0.233 3.589 3.960 -0.229 0.000 0.638 15 G HA3 -0.233 3.589 3.960 -0.229 0.000 0.638 15 G C 0.437 175.071 174.900 -0.443 0.000 1.344 15 G CA 0.060 45.060 45.100 -0.168 0.000 0.855 15 G HN 0.389 nan 8.290 nan 0.000 0.537 16 E N -1.128 118.851 120.200 -0.367 0.000 2.076 16 E HA 0.113 4.326 4.350 -0.229 0.000 0.190 16 E C 2.350 178.875 176.600 -0.127 0.000 0.979 16 E CA 1.730 57.897 56.400 -0.387 0.000 0.807 16 E CB -0.519 29.121 29.700 -0.100 0.000 0.761 16 E HN 1.039 nan 8.360 nan 0.000 0.454 17 E N 2.327 122.494 120.200 -0.054 0.000 2.058 17 E HA -0.220 3.993 4.350 -0.229 0.000 0.194 17 E C 1.857 178.461 176.600 0.007 0.000 0.997 17 E CA 1.777 58.176 56.400 -0.001 0.000 0.801 17 E CB -0.976 28.730 29.700 0.010 0.000 0.746 17 E HN 0.264 nan 8.360 nan 0.000 0.450 18 N N -0.877 117.817 118.700 -0.009 0.000 2.171 18 N HA -0.012 4.591 4.740 -0.229 0.000 0.184 18 N C 1.647 177.150 175.510 -0.012 0.000 1.021 18 N CA 1.193 54.238 53.050 -0.008 0.000 0.854 18 N CB -0.475 38.006 38.487 -0.009 0.000 0.994 18 N HN 0.472 nan 8.380 nan 0.000 0.426 19 F N 2.580 122.413 119.950 -0.194 0.000 2.095 19 F HA -0.234 4.157 4.527 -0.226 0.000 0.298 19 F C 2.446 178.166 175.800 -0.133 0.000 1.104 19 F CA 2.313 60.189 58.000 -0.206 0.000 1.232 19 F CB -0.528 38.218 39.000 -0.423 0.000 0.987 19 F HN 0.042 nan 8.300 nan 0.000 0.475 20 K N 0.469 120.998 120.400 0.214 0.000 2.057 20 K HA 0.119 4.302 4.320 -0.229 0.000 0.206 20 K C 2.303 178.901 176.600 -0.003 0.000 1.050 20 K CA 1.430 57.807 56.287 0.150 0.000 0.935 20 K CB -1.737 30.851 32.500 0.146 0.000 0.715 20 K HN 0.518 nan 8.250 nan 0.000 0.439 21 A N 1.163 123.978 122.820 -0.009 0.000 1.858 21 A HA 0.009 4.192 4.320 -0.229 0.000 0.216 21 A C 2.456 179.982 177.584 -0.098 0.000 1.190 21 A CA 1.550 53.574 52.037 -0.022 0.000 0.617 21 A CB -0.443 18.559 19.000 0.005 0.000 0.827 21 A HN 0.429 nan 8.150 nan 0.000 0.443 22 L N -0.268 120.865 121.223 -0.149 0.000 2.129 22 L HA -0.182 4.021 4.340 -0.229 0.000 0.212 22 L C 2.357 179.027 176.870 -0.332 0.000 1.087 22 L CA 1.055 55.765 54.840 -0.218 0.000 0.757 22 L CB -0.574 41.339 42.059 -0.244 0.000 0.896 22 L HN 0.268 nan 8.230 nan 0.000 0.434 23 V N -0.999 118.668 119.914 -0.411 0.000 2.719 23 V HA -0.178 3.805 4.120 -0.229 0.000 0.252 23 V C 2.434 178.150 176.094 -0.631 0.000 1.065 23 V CA 1.007 62.960 62.300 -0.579 0.000 1.086 23 V CB 0.261 31.768 31.823 -0.527 0.000 0.700 23 V HN 0.381 nan 8.190 nan 0.000 0.467 24 L N -0.296 120.752 121.223 -0.291 0.000 2.093 24 L HA -0.004 4.199 4.340 -0.229 0.000 0.208 24 L C 2.179 178.987 176.870 -0.105 0.000 1.085 24 L CA 1.690 56.463 54.840 -0.112 0.000 0.755 24 L CB -0.626 41.450 42.059 0.029 0.000 0.904 24 L HN 0.450 nan 8.230 nan 0.000 0.435 25 I N 0.036 120.526 120.570 -0.134 0.000 2.252 25 I HA -0.171 3.862 4.170 -0.229 0.000 0.245 25 I C 2.899 178.952 176.117 -0.106 0.000 1.102 25 I CA 1.340 62.578 61.300 -0.104 0.000 1.385 25 I CB -0.733 37.209 38.000 -0.097 0.000 1.064 25 I HN 0.417 nan 8.210 nan 0.000 0.414 26 A N 0.791 123.496 122.820 -0.192 0.000 1.933 26 A HA -0.177 4.006 4.320 -0.229 0.000 0.218 26 A C 2.039 179.683 177.584 0.100 0.000 1.175 26 A CA 1.502 53.466 52.037 -0.122 0.000 0.628 26 A CB -0.658 18.101 19.000 -0.402 0.000 0.814 26 A HN 0.313 nan 8.150 nan 0.000 0.444 27 F N -0.170 119.717 119.950 -0.105 0.000 2.187 27 F HA 0.098 4.487 4.527 -0.230 0.000 0.295 27 F C 2.788 178.401 175.800 -0.311 0.000 1.091 27 F CA 0.120 58.028 58.000 -0.153 0.000 1.308 27 F CB -1.197 37.739 39.000 -0.106 0.000 1.030 27 F HN 0.267 nan 8.300 nan 0.000 0.487 28 A N -0.366 122.342 122.820 -0.188 0.000 1.969 28 A HA -0.178 4.004 4.320 -0.229 0.000 0.218 28 A C 2.104 179.643 177.584 -0.074 0.000 1.169 28 A CA 1.299 53.209 52.037 -0.213 0.000 0.635 28 A CB -0.674 18.273 19.000 -0.087 0.000 0.810 28 A HN 0.444 nan 8.150 nan 0.000 0.445 29 Q N -2.272 117.508 119.800 -0.034 0.000 2.311 29 Q HA -0.071 4.132 4.340 -0.229 0.000 0.203 29 Q C 1.574 177.525 176.000 -0.081 0.000 0.954 29 Q CA 1.026 56.783 55.803 -0.077 0.000 0.885 29 Q CB -0.106 28.568 28.738 -0.107 0.000 0.963 29 Q HN 0.833 nan 8.270 nan 0.000 0.471 30 Y N 0.379 120.623 120.300 -0.093 0.000 2.177 30 Y HA 0.041 4.457 4.550 -0.224 0.000 0.291 30 Y C 1.300 177.185 175.900 -0.025 0.000 1.117 30 Y CA 0.785 58.825 58.100 -0.101 0.000 1.114 30 Y CB 0.169 38.499 38.460 -0.216 0.000 1.017 30 Y HN 0.013 nan 8.280 nan 0.000 0.505 31 L N 0.603 121.947 121.223 0.201 0.000 2.321 31 L HA 0.400 4.602 4.340 -0.229 0.000 0.272 31 L C 0.479 177.476 176.870 0.213 0.000 1.050 31 L CA -0.370 54.588 54.840 0.196 0.000 0.893 31 L CB -0.102 42.087 42.059 0.217 0.000 1.272 31 L HN 0.290 nan 8.230 nan 0.000 0.435 32 Q N 0.070 119.939 119.800 0.116 0.000 2.472 32 Q HA -0.089 4.113 4.340 -0.229 0.000 0.208 32 Q C 1.623 177.683 176.000 0.099 0.000 0.958 32 Q CA 1.543 57.388 55.803 0.070 0.000 0.932 32 Q CB 0.356 29.086 28.738 -0.013 0.000 1.007 32 Q HN 0.987 nan 8.270 nan 0.000 0.508 33 Q N -0.756 119.118 119.800 0.123 0.000 2.226 33 Q HA 0.057 4.260 4.340 -0.229 0.000 0.199 33 Q C 0.458 176.544 176.000 0.142 0.000 0.945 33 Q CA 0.188 56.052 55.803 0.102 0.000 0.861 33 Q CB 0.209 28.984 28.738 0.062 0.000 0.953 33 Q HN 0.191 nan 8.270 nan 0.000 0.490 34 C N 3.458 122.843 119.300 0.141 0.000 2.550 34 C HA 0.044 4.366 4.460 -0.229 0.000 0.406 34 C C -1.807 173.246 174.990 0.105 0.000 1.366 34 C CA -1.123 57.913 59.018 0.030 0.000 1.712 34 C CB -0.378 27.260 27.740 -0.170 0.000 2.613 34 C HN 0.298 nan 8.230 nan 0.000 0.608 35 P HA 0.026 nan 4.420 nan 0.000 0.271 35 P C 0.597 177.826 177.300 -0.119 0.000 1.244 35 P CA -0.216 62.911 63.100 0.046 0.000 0.793 35 P CB 0.245 31.939 31.700 -0.011 0.000 0.984 36 F N 1.203 120.890 119.950 -0.439 0.000 2.171 36 F HA -0.180 4.209 4.527 -0.230 0.000 0.300 36 F C 1.716 177.321 175.800 -0.325 0.000 1.090 36 F CA 1.824 59.372 58.000 -0.754 0.000 1.293 36 F CB -0.460 38.128 39.000 -0.687 0.000 1.013 36 F HN 0.195 nan 8.300 nan 0.000 0.486 37 E N 0.827 120.820 120.200 -0.345 0.000 2.038 37 E HA -0.193 4.020 4.350 -0.229 0.000 0.195 37 E C 1.989 178.392 176.600 -0.328 0.000 1.000 37 E CA 1.721 57.912 56.400 -0.347 0.000 0.803 37 E CB -0.867 28.741 29.700 -0.154 0.000 0.750 37 E HN 0.420 nan 8.360 nan 0.000 0.448 38 D N -0.099 120.126 120.400 -0.291 0.000 2.123 38 D HA -0.166 4.337 4.640 -0.229 0.000 0.196 38 D C 1.879 178.020 176.300 -0.266 0.000 0.992 38 D CA 1.132 54.962 54.000 -0.284 0.000 0.833 38 D CB -0.348 40.253 40.800 -0.332 0.000 0.954 38 D HN 0.338 nan 8.370 nan 0.000 0.455 39 H N 0.283 119.250 119.070 -0.170 0.000 2.326 39 H HA -0.001 4.419 4.556 -0.227 0.000 0.301 39 H C 2.513 177.791 175.328 -0.084 0.000 1.081 39 H CA 0.481 56.491 56.048 -0.063 0.000 1.334 39 H CB -0.486 29.296 29.762 0.032 0.000 1.385 39 H HN 0.011 nan 8.280 nan 0.000 0.504 40 V N 1.527 121.317 119.914 -0.206 0.000 2.332 40 V HA -0.283 3.699 4.120 -0.229 0.000 0.248 40 V C 2.633 178.664 176.094 -0.106 0.000 1.055 40 V CA 2.169 64.313 62.300 -0.259 0.000 1.038 40 V CB -0.468 31.003 31.823 -0.588 0.000 0.651 40 V HN 0.369 nan 8.190 nan 0.000 0.450 41 K N 0.101 120.429 120.400 -0.120 0.000 2.026 41 K HA -0.158 4.025 4.320 -0.229 0.000 0.208 41 K C 2.102 178.700 176.600 -0.003 0.000 1.048 41 K CA 1.716 57.964 56.287 -0.066 0.000 0.929 41 K CB -0.256 32.188 32.500 -0.093 0.000 0.713 41 K HN 0.420 nan 8.250 nan 0.000 0.439 42 L N 0.783 122.010 121.223 0.007 0.000 2.141 42 L HA -0.128 4.075 4.340 -0.229 0.000 0.209 42 L C 2.391 179.405 176.870 0.240 0.000 1.094 42 L CA 0.472 55.340 54.840 0.048 0.000 0.763 42 L CB -0.296 41.687 42.059 -0.127 0.000 0.908 42 L HN 0.041 nan 8.230 nan 0.000 0.437 43 V N 0.118 120.215 119.914 0.305 0.000 2.261 43 V HA -0.272 3.710 4.120 -0.229 0.000 0.246 43 V C 2.297 178.516 176.094 0.209 0.000 1.047 43 V CA 1.862 64.344 62.300 0.303 0.000 1.015 43 V CB -0.635 31.305 31.823 0.196 0.000 0.642 43 V HN 0.485 nan 8.190 nan 0.000 0.446 44 N N 0.216 118.998 118.700 0.136 0.000 2.025 44 N HA -0.207 4.396 4.740 -0.229 0.000 0.194 44 N C 1.842 177.424 175.510 0.119 0.000 1.044 44 N CA 1.846 54.962 53.050 0.110 0.000 0.851 44 N CB -0.387 38.136 38.487 0.059 0.000 1.036 44 N HN 0.602 nan 8.380 nan 0.000 0.422 45 E N 0.433 120.694 120.200 0.101 0.000 2.086 45 E HA -0.161 4.052 4.350 -0.229 0.000 0.200 45 E C 2.073 178.767 176.600 0.157 0.000 1.012 45 E CA 1.272 57.733 56.400 0.103 0.000 0.812 45 E CB -0.096 29.648 29.700 0.073 0.000 0.743 45 E HN 0.097 nan 8.360 nan 0.000 0.453 46 V N 1.364 121.380 119.914 0.170 0.000 2.295 46 V HA -0.277 3.706 4.120 -0.229 0.000 0.246 46 V C 2.753 178.977 176.094 0.218 0.000 1.049 46 V CA 2.205 64.600 62.300 0.159 0.000 1.024 46 V CB -1.128 30.768 31.823 0.122 0.000 0.648 46 V HN 0.533 nan 8.190 nan 0.000 0.447 47 T N -1.469 113.247 114.554 0.270 0.000 2.788 47 T HA -0.269 3.943 4.350 -0.229 0.000 0.268 47 T C 1.730 176.518 174.700 0.146 0.000 1.044 47 T CA 1.788 64.044 62.100 0.261 0.000 1.139 47 T CB -0.337 68.693 68.868 0.269 0.000 0.867 47 T HN 0.433 nan 8.240 nan 0.000 0.454 48 E N 0.566 120.850 120.200 0.139 0.000 2.051 48 E HA -0.073 4.139 4.350 -0.229 0.000 0.192 48 E C 1.703 178.373 176.600 0.117 0.000 0.991 48 E CA 0.929 57.384 56.400 0.090 0.000 0.799 48 E CB -0.664 29.078 29.700 0.070 0.000 0.748 48 E HN 0.470 nan 8.360 nan 0.000 0.449 49 F N 0.935 120.873 119.950 -0.019 0.000 2.120 49 F HA -0.188 4.202 4.527 -0.228 0.000 0.300 49 F C 1.983 177.738 175.800 -0.074 0.000 1.095 49 F CA 1.568 59.547 58.000 -0.036 0.000 1.249 49 F CB -1.059 37.931 39.000 -0.017 0.000 0.995 49 F HN 0.098 nan 8.300 nan 0.000 0.480 50 A N 0.329 123.272 122.820 0.205 0.000 1.902 50 A HA -0.185 3.997 4.320 -0.229 0.000 0.217 50 A C 2.436 179.869 177.584 -0.251 0.000 1.181 50 A CA 2.910 54.922 52.037 -0.043 0.000 0.623 50 A CB -1.395 17.504 19.000 -0.168 0.000 0.818 50 A HN 0.448 nan 8.150 nan 0.000 0.443 51 K N -0.493 119.744 120.400 -0.271 0.000 2.063 51 K HA -0.173 4.009 4.320 -0.229 0.000 0.208 51 K C 2.221 178.698 176.600 -0.205 0.000 1.048 51 K CA 2.511 58.588 56.287 -0.350 0.000 0.928 51 K CB -2.034 30.349 32.500 -0.195 0.000 0.713 51 K HN 0.915 nan 8.250 nan 0.000 0.442 52 T N -2.299 112.201 114.554 -0.091 0.000 3.007 52 T HA -0.109 4.103 4.350 -0.229 0.000 0.270 52 T C 2.143 176.814 174.700 -0.048 0.000 1.107 52 T CA 1.385 63.439 62.100 -0.077 0.000 1.118 52 T CB -0.918 67.890 68.868 -0.100 0.000 0.889 52 T HN 0.489 nan 8.240 nan 0.000 0.506 53 c N 0.560 119.158 118.600 -0.004 0.000 2.492 53 c HA 0.219 4.651 4.570 -0.229 0.000 0.279 53 c C 2.847 176.905 174.090 -0.054 0.000 1.335 53 c CA -0.031 56.314 56.329 0.026 0.000 1.734 53 c CB -0.901 41.672 42.510 0.105 0.000 2.027 53 c HN 0.464 nan 8.230 nan 0.000 0.496 54 V N 1.700 121.521 119.914 -0.155 0.000 2.332 54 V HA -0.240 3.742 4.120 -0.229 0.000 0.248 54 V C 2.593 178.624 176.094 -0.105 0.000 1.055 54 V CA 2.372 64.570 62.300 -0.171 0.000 1.038 54 V CB -1.249 30.385 31.823 -0.316 0.000 0.651 54 V HN 0.613 nan 8.190 nan 0.000 0.450 55 A N 0.142 122.901 122.820 -0.102 0.000 1.823 55 A HA -0.015 4.168 4.320 -0.229 0.000 0.214 55 A C 1.602 179.158 177.584 -0.046 0.000 1.225 55 A CA 1.348 53.343 52.037 -0.070 0.000 0.604 55 A CB -1.055 17.902 19.000 -0.072 0.000 0.878 55 A HN 0.571 nan 8.150 nan 0.000 0.450 56 D N 0.097 120.473 120.400 -0.041 0.000 2.522 56 D HA 0.453 4.955 4.640 -0.229 0.000 0.218 56 D C 0.177 176.473 176.300 -0.006 0.000 1.149 56 D CA 0.019 54.004 54.000 -0.025 0.000 0.981 56 D CB -0.376 40.406 40.800 -0.031 0.000 1.041 56 D HN 0.543 nan 8.370 nan 0.000 0.518 57 E N 0.360 120.560 120.200 -0.001 0.000 2.565 57 E HA 0.080 4.292 4.350 -0.229 0.000 0.212 57 E C 0.716 177.334 176.600 0.030 0.000 1.341 57 E CA 0.339 56.750 56.400 0.018 0.000 1.236 57 E CB -0.167 29.541 29.700 0.013 0.000 1.246 57 E HN 0.443 nan 8.360 nan 0.000 0.446 58 S N -1.713 114.004 115.700 0.028 0.000 2.849 58 S HA 0.275 4.608 4.470 -0.229 0.000 0.226 58 S C 0.480 175.093 174.600 0.021 0.000 0.809 58 S CA 0.126 58.344 58.200 0.030 0.000 1.324 58 S CB -0.122 63.089 63.200 0.018 0.000 1.275 58 S HN 0.350 nan 8.310 nan 0.000 0.585 59 A N 1.953 124.782 122.820 0.015 0.000 3.297 59 A HA 0.385 4.568 4.320 -0.229 0.000 0.150 59 A C 1.797 179.366 177.584 -0.025 0.000 0.871 59 A CA 1.625 53.648 52.037 -0.024 0.000 1.148 59 A CB -1.570 17.393 19.000 -0.061 0.000 0.882 59 A HN 0.918 nan 8.150 nan 0.000 0.534 60 E N -1.807 118.339 120.200 -0.090 0.000 1.969 60 E HA -0.045 4.167 4.350 -0.229 0.000 0.204 60 E C 1.399 178.040 176.600 0.068 0.000 0.982 60 E CA 2.161 58.507 56.400 -0.091 0.000 0.871 60 E CB -1.392 28.093 29.700 -0.358 0.000 0.815 60 E HN 1.647 nan 8.360 nan 0.000 0.527 61 N N -1.069 117.787 118.700 0.260 0.000 2.553 61 N HA 0.342 4.944 4.740 -0.229 0.000 0.298 61 N C 1.008 176.690 175.510 0.287 0.000 1.596 61 N CA 0.375 53.583 53.050 0.264 0.000 0.910 61 N CB -0.696 37.945 38.487 0.256 0.000 1.336 61 N HN 0.473 nan 8.380 nan 0.000 0.497 62 c N 0.816 119.588 118.600 0.286 0.000 2.443 62 c HA -0.064 4.369 4.570 -0.229 0.000 0.290 62 c C 2.240 176.390 174.090 0.101 0.000 1.476 62 c CA 0.880 57.328 56.329 0.198 0.000 1.772 62 c CB -0.800 41.824 42.510 0.189 0.000 1.714 62 c HN 0.819 nan 8.230 nan 0.000 0.562 63 D N 1.300 121.757 120.400 0.096 0.000 2.137 63 D HA -0.077 4.426 4.640 -0.229 0.000 0.202 63 D C 0.759 177.097 176.300 0.063 0.000 0.970 63 D CA 0.562 54.605 54.000 0.071 0.000 0.837 63 D CB -0.356 40.484 40.800 0.065 0.000 0.981 63 D HN 0.426 nan 8.370 nan 0.000 0.475 64 K N 1.147 121.585 120.400 0.064 0.000 2.393 64 K HA 0.068 4.250 4.320 -0.229 0.000 0.264 64 K C 0.782 177.410 176.600 0.047 0.000 0.979 64 K CA 0.133 56.454 56.287 0.056 0.000 0.893 64 K CB 0.318 32.851 32.500 0.056 0.000 0.967 64 K HN 0.219 nan 8.250 nan 0.000 0.521 65 S N 0.518 116.257 115.700 0.064 0.000 2.617 65 S HA 0.144 4.477 4.470 -0.229 0.000 0.269 65 S C 1.397 176.045 174.600 0.081 0.000 1.292 65 S CA -0.791 57.450 58.200 0.069 0.000 1.010 65 S CB 0.608 63.869 63.200 0.101 0.000 0.944 65 S HN 0.537 nan 8.310 nan 0.000 0.536 66 L N 0.760 122.025 121.223 0.070 0.000 2.013 66 L HA -0.183 4.020 4.340 -0.229 0.000 0.212 66 L C 2.760 179.854 176.870 0.372 0.000 1.073 66 L CA 1.633 56.597 54.840 0.208 0.000 0.753 66 L CB -0.965 41.157 42.059 0.105 0.000 0.890 66 L HN 0.771 nan 8.230 nan 0.000 0.432 67 H N -0.850 118.370 119.070 0.250 0.000 2.289 67 H HA -0.210 4.207 4.556 -0.231 0.000 0.296 67 H C 2.455 177.908 175.328 0.208 0.000 1.091 67 H CA 2.151 58.330 56.048 0.217 0.000 1.274 67 H CB -0.667 29.192 29.762 0.160 0.000 1.364 67 H HN 0.300 nan 8.280 nan 0.000 0.490 68 T N 0.602 115.322 114.554 0.277 0.000 2.607 68 T HA -0.206 4.007 4.350 -0.229 0.000 0.267 68 T C 2.560 177.334 174.700 0.124 0.000 1.049 68 T CA 2.789 64.994 62.100 0.176 0.000 1.162 68 T CB -0.839 68.103 68.868 0.124 0.000 0.863 68 T HN 0.248 nan 8.240 nan 0.000 0.424 69 L N 0.207 121.461 121.223 0.051 0.000 1.989 69 L HA 0.082 4.285 4.340 -0.229 0.000 0.211 69 L C 2.655 179.470 176.870 -0.091 0.000 1.071 69 L CA 2.756 57.540 54.840 -0.094 0.000 0.749 69 L CB -2.087 39.784 42.059 -0.313 0.000 0.890 69 L HN 0.532 nan 8.230 nan 0.000 0.431 70 F N 0.945 120.919 119.950 0.040 0.000 2.126 70 F HA -0.002 4.390 4.527 -0.225 0.000 0.299 70 F C 2.597 178.384 175.800 -0.022 0.000 1.096 70 F CA 1.650 59.696 58.000 0.076 0.000 1.255 70 F CB -1.078 37.951 39.000 0.049 0.000 0.997 70 F HN 0.248 nan 8.300 nan 0.000 0.479 71 G N -0.333 108.588 108.800 0.201 0.000 2.421 71 G HA2 -0.223 3.599 3.960 -0.229 0.000 0.216 71 G HA3 -0.223 3.599 3.960 -0.229 0.000 0.216 71 G C 1.408 176.383 174.900 0.125 0.000 1.171 71 G CA 1.149 46.357 45.100 0.180 0.000 0.775 71 G HN 0.253 nan 8.290 nan 0.000 0.543 72 D N 0.460 120.914 120.400 0.090 0.000 2.144 72 D HA -0.080 4.422 4.640 -0.229 0.000 0.199 72 D C 2.331 178.633 176.300 0.003 0.000 0.984 72 D CA 1.028 55.060 54.000 0.054 0.000 0.834 72 D CB -0.048 40.782 40.800 0.051 0.000 0.955 72 D HN 0.189 nan 8.370 nan 0.000 0.465 73 K N 0.612 120.987 120.400 -0.042 0.000 2.211 73 K HA 0.008 4.190 4.320 -0.229 0.000 0.203 73 K C 2.098 178.572 176.600 -0.211 0.000 1.050 73 K CA 0.460 56.677 56.287 -0.116 0.000 0.945 73 K CB -0.145 32.272 32.500 -0.138 0.000 0.732 73 K HN 0.126 nan 8.250 nan 0.000 0.451 74 L N -0.969 120.119 121.223 -0.226 0.000 2.249 74 L HA -0.056 4.147 4.340 -0.229 0.000 0.207 74 L C 1.805 178.633 176.870 -0.069 0.000 1.090 74 L CA 0.261 54.953 54.840 -0.246 0.000 0.802 74 L CB -0.136 41.726 42.059 -0.329 0.000 0.947 74 L HN 0.105 nan 8.230 nan 0.000 0.453 75 c N 0.120 118.729 118.600 0.016 0.000 2.485 75 c HA -0.069 4.364 4.570 -0.229 0.000 0.283 75 c C 2.424 176.521 174.090 0.012 0.000 1.478 75 c CA 1.306 57.672 56.329 0.063 0.000 1.741 75 c CB -1.624 40.943 42.510 0.095 0.000 1.675 75 c HN 0.609 nan 8.230 nan 0.000 0.573 76 T N -4.538 110.000 114.554 -0.027 0.000 3.145 76 T HA 0.386 4.598 4.350 -0.229 0.000 0.255 76 T C 0.522 175.193 174.700 -0.049 0.000 1.039 76 T CA 1.107 63.187 62.100 -0.034 0.000 0.928 76 T CB 0.056 68.898 68.868 -0.043 0.000 1.029 76 T HN 0.413 nan 8.240 nan 0.000 0.554 77 V N -1.131 118.753 119.914 -0.050 0.000 3.699 77 V HA 0.842 4.825 4.120 -0.229 0.000 0.323 77 V C 0.879 176.953 176.094 -0.033 0.000 1.574 77 V CA -0.206 62.058 62.300 -0.060 0.000 1.240 77 V CB -0.144 31.613 31.823 -0.110 0.000 1.014 77 V HN 0.647 nan 8.190 nan 0.000 0.469 89 D N 0.760 121.118 120.400 -0.071 0.000 2.149 89 D HA -0.185 4.317 4.640 -0.229 0.000 0.194 89 D C 1.671 177.916 176.300 -0.092 0.000 1.001 89 D CA 1.868 55.829 54.000 -0.066 0.000 0.849 89 D CB -0.601 40.165 40.800 -0.057 0.000 0.939 89 D HN 0.504 nan 8.370 nan 0.000 0.449 90 c N 0.068 118.575 118.600 -0.154 0.000 2.413 90 c HA -0.160 4.273 4.570 -0.229 0.000 0.277 90 c C 2.833 176.777 174.090 -0.243 0.000 1.228 90 c CA 0.432 56.597 56.329 -0.273 0.000 1.731 90 c CB -0.840 41.345 42.510 -0.543 0.000 2.042 90 c HN 0.501 nan 8.230 nan 0.000 0.468 91 c N 1.057 119.568 118.600 -0.148 0.000 2.449 91 c HA 0.054 4.487 4.570 -0.229 0.000 0.283 91 c C 2.815 176.887 174.090 -0.029 0.000 1.453 91 c CA 0.798 57.101 56.329 -0.042 0.000 1.779 91 c CB -1.853 40.674 42.510 0.029 0.000 1.779 91 c HN 0.718 nan 8.230 nan 0.000 0.546 92 A N 0.715 123.507 122.820 -0.046 0.000 1.970 92 A HA 0.210 4.392 4.320 -0.229 0.000 0.216 92 A C 1.612 179.181 177.584 -0.025 0.000 1.170 92 A CA 1.619 53.640 52.037 -0.027 0.000 0.645 92 A CB -0.382 18.601 19.000 -0.029 0.000 0.816 92 A HN 0.586 nan 8.150 nan 0.000 0.447 93 K N -1.410 118.965 120.400 -0.043 0.000 2.273 93 K HA 0.593 4.776 4.320 -0.229 0.000 0.240 93 K C 0.215 176.808 176.600 -0.012 0.000 1.056 93 K CA 0.479 56.747 56.287 -0.032 0.000 0.910 93 K CB -0.641 31.828 32.500 -0.052 0.000 1.196 93 K HN 1.135 nan 8.250 nan 0.000 0.509 94 Q N -1.804 117.997 119.800 0.001 0.000 2.633 94 Q HA 0.618 4.821 4.340 -0.229 0.000 0.292 94 Q C 1.446 177.467 176.000 0.036 0.000 1.089 94 Q CA 1.214 57.031 55.803 0.024 0.000 0.811 94 Q CB -0.335 28.419 28.738 0.027 0.000 1.472 94 Q HN 1.891 nan 8.270 nan 0.000 0.464 95 E N 0.388 120.624 120.200 0.059 0.000 2.831 95 E HA -0.317 3.895 4.350 -0.229 0.000 0.227 95 E C -0.012 176.627 176.600 0.064 0.000 0.895 95 E CA 2.858 59.305 56.400 0.078 0.000 1.313 95 E CB -3.015 26.732 29.700 0.079 0.000 1.338 95 E HN 0.841 nan 8.360 nan 0.000 0.485 96 P HA -0.051 nan 4.420 nan 0.000 0.212 96 P C 1.741 179.053 177.300 0.020 0.000 1.180 96 P CA 3.191 66.315 63.100 0.040 0.000 0.902 96 P CB -0.578 31.148 31.700 0.043 0.000 0.778 97 E N 0.537 120.743 120.200 0.010 0.000 2.097 97 E HA -0.302 3.911 4.350 -0.229 0.000 0.196 97 E C 2.419 178.995 176.600 -0.040 0.000 1.000 97 E CA 2.903 59.296 56.400 -0.012 0.000 0.804 97 E CB -1.888 27.804 29.700 -0.014 0.000 0.740 97 E HN 0.386 nan 8.360 nan 0.000 0.454 98 R N 1.182 121.660 120.500 -0.038 0.000 2.083 98 R HA -0.133 4.070 4.340 -0.229 0.000 0.237 98 R C 2.239 178.489 176.300 -0.083 0.000 1.137 98 R CA 2.072 58.115 56.100 -0.095 0.000 0.951 98 R CB -1.659 28.635 30.300 -0.011 0.000 0.851 98 R HN 0.732 nan 8.270 nan 0.000 0.434 99 N N -0.306 118.424 118.700 0.050 0.000 2.142 99 N HA -0.162 4.441 4.740 -0.229 0.000 0.186 99 N C 1.454 177.013 175.510 0.082 0.000 1.023 99 N CA 1.357 54.489 53.050 0.138 0.000 0.852 99 N CB 0.007 38.407 38.487 -0.146 0.000 0.998 99 N HN 0.510 nan 8.380 nan 0.000 0.424 100 E N 1.044 121.241 120.200 -0.004 0.000 2.085 100 E HA -0.170 4.042 4.350 -0.229 0.000 0.194 100 E C 2.157 178.725 176.600 -0.054 0.000 0.994 100 E CA 0.388 56.771 56.400 -0.030 0.000 0.801 100 E CB -1.122 28.576 29.700 -0.002 0.000 0.743 100 E HN 0.418 nan 8.360 nan 0.000 0.453 101 c N 0.567 119.121 118.600 -0.075 0.000 2.328 101 c HA -0.252 4.181 4.570 -0.229 0.000 0.276 101 c C 2.569 176.662 174.090 0.005 0.000 1.173 101 c CA 1.212 57.480 56.329 -0.103 0.000 1.774 101 c CB -1.416 40.980 42.510 -0.190 0.000 2.009 101 c HN 0.340 nan 8.230 nan 0.000 0.436 102 F N 0.958 121.011 119.950 0.171 0.000 2.063 102 F HA -0.173 4.216 4.527 -0.230 0.000 0.298 102 F C 2.290 178.040 175.800 -0.083 0.000 1.109 102 F CA 1.926 60.036 58.000 0.184 0.000 1.212 102 F CB -1.230 38.013 39.000 0.406 0.000 0.973 102 F HN 0.244 nan 8.300 nan 0.000 0.480 103 L N -0.558 120.672 121.223 0.012 0.000 2.081 103 L HA -0.299 3.903 4.340 -0.229 0.000 0.212 103 L C 2.580 179.366 176.870 -0.140 0.000 1.080 103 L CA 1.846 56.572 54.840 -0.191 0.000 0.754 103 L CB -0.820 41.101 42.059 -0.229 0.000 0.893 103 L HN 0.193 nan 8.230 nan 0.000 0.433 104 Q N -1.514 118.177 119.800 -0.182 0.000 2.482 104 Q HA -0.108 4.094 4.340 -0.229 0.000 0.209 104 Q C 1.631 177.422 176.000 -0.349 0.000 0.961 104 Q CA 0.629 56.273 55.803 -0.264 0.000 0.945 104 Q CB -0.376 28.152 28.738 -0.349 0.000 1.012 104 Q HN 0.639 nan 8.270 nan 0.000 0.515 105 H N -0.793 118.277 119.070 -0.000 0.000 2.705 105 H HA 0.357 4.775 4.556 -0.229 0.000 0.269 105 H C 0.377 175.703 175.328 -0.003 0.000 0.998 105 H CA -0.098 55.959 56.048 0.014 0.000 1.193 105 H CB 0.391 30.185 29.762 0.053 0.000 1.485 105 H HN 0.363 nan 8.280 nan 0.000 0.521 106 K N 1.863 122.277 120.400 0.023 0.000 2.518 106 K HA -0.038 4.145 4.320 -0.229 0.000 0.276 106 K C -0.145 176.470 176.600 0.024 0.000 0.974 106 K CA 0.549 56.803 56.287 -0.055 0.000 0.986 106 K CB 0.453 32.809 32.500 -0.239 0.000 0.901 106 K HN 0.042 nan 8.250 nan 0.000 0.497 107 D N 1.097 121.506 120.400 0.014 0.000 2.408 107 D HA 0.105 4.608 4.640 -0.229 0.000 0.243 107 D C -0.071 176.254 176.300 0.043 0.000 1.075 107 D CA -0.371 53.650 54.000 0.035 0.000 0.832 107 D CB 1.160 41.972 40.800 0.020 0.000 1.162 107 D HN 0.344 nan 8.370 nan 0.000 0.515 108 D N 2.340 122.785 120.400 0.077 0.000 2.317 108 D HA -0.064 4.439 4.640 -0.229 0.000 0.211 108 D C 0.030 176.344 176.300 0.023 0.000 0.966 108 D CA 0.639 54.690 54.000 0.086 0.000 0.876 108 D CB 0.326 41.176 40.800 0.084 0.000 0.927 108 D HN 0.460 nan 8.370 nan 0.000 0.519 109 N N 0.784 119.485 118.700 0.002 0.000 2.703 109 N HA 0.120 4.723 4.740 -0.229 0.000 0.283 109 N C -2.693 172.800 175.510 -0.028 0.000 1.851 109 N CA -1.170 51.868 53.050 -0.020 0.000 0.826 109 N CB 1.358 39.837 38.487 -0.014 0.000 1.239 109 N HN -0.102 nan 8.380 nan 0.000 0.495 110 P HA -0.047 nan 4.420 nan 0.000 0.267 110 P C -0.752 176.524 177.300 -0.041 0.000 1.200 110 P CA 0.152 63.228 63.100 -0.039 0.000 0.772 110 P CB 0.762 32.428 31.700 -0.058 0.000 0.855 111 N N 2.796 121.481 118.700 -0.026 0.000 3.254 111 N HA 0.109 4.711 4.740 -0.229 0.000 0.308 111 N C -0.315 175.179 175.510 -0.026 0.000 1.281 111 N CA -0.278 52.758 53.050 -0.023 0.000 1.212 111 N CB -0.310 38.169 38.487 -0.013 0.000 1.478 111 N HN 0.336 nan 8.380 nan 0.000 0.548 112 L N 1.623 122.822 121.223 -0.041 0.000 2.360 112 L HA 0.519 4.722 4.340 -0.229 0.000 0.271 112 L C -1.829 175.019 176.870 -0.037 0.000 1.057 112 L CA -1.988 52.826 54.840 -0.043 0.000 0.803 112 L CB 1.016 43.031 42.059 -0.074 0.000 1.207 112 L HN 0.228 nan 8.230 nan 0.000 0.445 113 P HA 0.182 nan 4.420 nan 0.000 0.268 113 P C -0.105 177.179 177.300 -0.026 0.000 1.204 113 P CA -0.234 62.855 63.100 -0.017 0.000 0.768 113 P CB 0.422 32.119 31.700 -0.005 0.000 0.842 114 R N 1.203 121.691 120.500 -0.020 0.000 2.740 114 R HA 0.376 4.579 4.340 -0.229 0.000 0.263 114 R C 0.147 176.435 176.300 -0.019 0.000 0.997 114 R CA 0.688 56.776 56.100 -0.021 0.000 1.108 114 R CB -1.239 29.055 30.300 -0.009 0.000 0.969 114 R HN 0.616 nan 8.270 nan 0.000 0.431 115 L N 1.140 122.350 121.223 -0.022 0.000 2.262 115 L HA 0.824 5.026 4.340 -0.229 0.000 0.288 115 L C 0.686 177.557 176.870 0.002 0.000 1.035 115 L CA -0.490 54.340 54.840 -0.018 0.000 0.820 115 L CB 0.375 42.411 42.059 -0.039 0.000 1.204 115 L HN 1.457 nan 8.230 nan 0.000 0.424 116 V N 2.148 122.069 119.914 0.011 0.000 2.617 116 V HA 0.925 4.908 4.120 -0.229 0.000 0.298 116 V C 0.519 176.635 176.094 0.037 0.000 1.048 116 V CA -0.619 61.695 62.300 0.023 0.000 0.964 116 V CB 1.194 33.030 31.823 0.023 0.000 1.004 116 V HN 1.458 nan 8.190 nan 0.000 0.466 117 R N 4.572 125.101 120.500 0.048 0.000 2.265 117 R HA 0.731 4.933 4.340 -0.229 0.000 0.328 117 R C -2.039 174.306 176.300 0.075 0.000 0.969 117 R CA -1.291 54.852 56.100 0.073 0.000 0.832 117 R CB -0.240 30.112 30.300 0.086 0.000 1.139 117 R HN 0.916 nan 8.270 nan 0.000 0.457 118 P HA 0.065 nan 4.420 nan 0.000 0.272 118 P C -0.325 177.024 177.300 0.082 0.000 1.248 118 P CA -0.576 62.571 63.100 0.078 0.000 0.799 118 P CB 0.564 32.316 31.700 0.087 0.000 0.997 119 E N -0.012 120.227 120.200 0.065 0.000 2.437 119 E HA -0.045 4.168 4.350 -0.229 0.000 0.263 119 E C 1.475 178.119 176.600 0.072 0.000 1.030 119 E CA 0.098 56.532 56.400 0.057 0.000 0.934 119 E CB 0.504 30.230 29.700 0.044 0.000 0.943 119 E HN 0.100 nan 8.360 nan 0.000 0.444 120 V N 3.346 123.296 119.914 0.060 0.000 2.313 120 V HA -0.395 3.587 4.120 -0.229 0.000 0.253 120 V C 2.307 178.445 176.094 0.073 0.000 1.070 120 V CA 2.789 65.128 62.300 0.065 0.000 1.057 120 V CB -1.287 30.552 31.823 0.027 0.000 0.653 120 V HN 0.895 nan 8.190 nan 0.000 0.450 121 D N -0.536 119.898 120.400 0.056 0.000 2.104 121 D HA -0.190 4.313 4.640 -0.229 0.000 0.194 121 D C 2.070 178.402 176.300 0.053 0.000 0.994 121 D CA 1.994 56.026 54.000 0.053 0.000 0.830 121 D CB -0.575 40.251 40.800 0.042 0.000 0.959 121 D HN 0.331 nan 8.370 nan 0.000 0.452 122 V N 0.310 120.258 119.914 0.057 0.000 2.515 122 V HA -0.209 3.774 4.120 -0.229 0.000 0.250 122 V C 2.760 178.881 176.094 0.045 0.000 1.058 122 V CA 1.830 64.162 62.300 0.053 0.000 1.064 122 V CB -0.501 31.360 31.823 0.064 0.000 0.675 122 V HN 0.522 nan 8.190 nan 0.000 0.461 123 M N -1.064 118.586 119.600 0.083 0.000 2.156 123 M HA -0.146 4.196 4.480 -0.229 0.000 0.264 123 M C 2.401 178.577 176.300 -0.206 0.000 1.067 123 M CA 1.615 56.952 55.300 0.062 0.000 1.131 123 M CB -0.718 32.105 32.600 0.371 0.000 1.368 123 M HN 0.364 nan 8.290 nan 0.000 0.416 124 c N 0.780 119.358 118.600 -0.037 0.000 2.422 124 c HA -0.115 4.318 4.570 -0.229 0.000 0.279 124 c C 3.175 177.202 174.090 -0.105 0.000 1.305 124 c CA 1.781 58.058 56.329 -0.087 0.000 1.757 124 c CB -1.661 40.873 42.510 0.040 0.000 1.962 124 c HN 0.681 nan 8.230 nan 0.000 0.499 125 T N 0.114 114.649 114.554 -0.032 0.000 2.777 125 T HA 0.099 4.312 4.350 -0.229 0.000 0.266 125 T C 2.053 176.707 174.700 -0.077 0.000 1.040 125 T CA 1.975 64.078 62.100 0.005 0.000 1.141 125 T CB -0.343 68.536 68.868 0.019 0.000 0.868 125 T HN 0.456 nan 8.240 nan 0.000 0.444 126 A N 0.184 122.908 122.820 -0.160 0.000 1.930 126 A HA 0.210 4.393 4.320 -0.229 0.000 0.217 126 A C 2.174 179.523 177.584 -0.391 0.000 1.175 126 A CA 1.689 53.615 52.037 -0.185 0.000 0.627 126 A CB -0.733 18.218 19.000 -0.081 0.000 0.815 126 A HN 0.599 nan 8.150 nan 0.000 0.443 127 F N 0.215 119.564 119.950 -1.001 0.000 2.113 127 F HA -0.141 4.249 4.527 -0.228 0.000 0.297 127 F C 2.407 177.945 175.800 -0.437 0.000 1.103 127 F CA 2.020 59.355 58.000 -1.107 0.000 1.248 127 F CB -0.419 37.699 39.000 -1.470 0.000 0.999 127 F HN 0.333 nan 8.300 nan 0.000 0.475 128 H N -0.160 118.658 119.070 -0.420 0.000 2.357 128 H HA -0.129 4.290 4.556 -0.228 0.000 0.301 128 H C 2.012 177.170 175.328 -0.283 0.000 1.082 128 H CA 1.545 57.368 56.048 -0.375 0.000 1.342 128 H CB -0.793 28.883 29.762 -0.145 0.000 1.389 128 H HN 0.324 nan 8.280 nan 0.000 0.511 129 D N 0.818 121.179 120.400 -0.064 0.000 2.157 129 D HA -0.151 4.352 4.640 -0.229 0.000 0.197 129 D C 0.718 176.970 176.300 -0.080 0.000 0.995 129 D CA 1.005 54.971 54.000 -0.057 0.000 0.860 129 D CB -0.211 40.567 40.800 -0.036 0.000 1.016 129 D HN 0.135 nan 8.370 nan 0.000 0.452 130 N N 0.229 118.882 118.700 -0.078 0.000 2.479 130 N HA 0.034 4.636 4.740 -0.229 0.000 0.261 130 N C 0.206 175.676 175.510 -0.067 0.000 0.979 130 N CA -0.114 52.909 53.050 -0.045 0.000 0.930 130 N CB 1.706 40.206 38.487 0.021 0.000 1.172 130 N HN 0.198 nan 8.380 nan 0.000 0.499 131 E N 2.847 122.972 120.200 -0.125 0.000 2.060 131 E HA -0.122 4.091 4.350 -0.229 0.000 0.189 131 E C 1.496 178.127 176.600 0.051 0.000 0.974 131 E CA 1.319 57.628 56.400 -0.152 0.000 0.808 131 E CB 0.209 29.741 29.700 -0.280 0.000 0.768 131 E HN 0.708 nan 8.360 nan 0.000 0.453 132 E N 0.347 120.574 120.200 0.045 0.000 2.085 132 E HA -0.205 4.008 4.350 -0.229 0.000 0.194 132 E C 1.981 178.662 176.600 0.136 0.000 0.994 132 E CA 1.922 58.375 56.400 0.088 0.000 0.801 132 E CB -1.439 28.303 29.700 0.070 0.000 0.743 132 E HN 0.335 nan 8.360 nan 0.000 0.453 133 T N -0.266 114.375 114.554 0.145 0.000 2.701 133 T HA -0.045 4.167 4.350 -0.229 0.000 0.263 133 T C 1.720 176.516 174.700 0.159 0.000 1.040 133 T CA 1.156 63.372 62.100 0.193 0.000 1.147 133 T CB -0.522 68.456 68.868 0.182 0.000 0.865 133 T HN 0.444 nan 8.240 nan 0.000 0.426 134 F N 1.427 121.378 119.950 0.001 0.000 2.184 134 F HA -0.097 4.294 4.527 -0.226 0.000 0.301 134 F C 1.827 177.624 175.800 -0.005 0.000 1.076 134 F CA 1.076 59.057 58.000 -0.032 0.000 1.295 134 F CB -0.359 38.628 39.000 -0.022 0.000 1.026 134 F HN 0.098 nan 8.300 nan 0.000 0.494 135 L N -0.852 120.419 121.223 0.081 0.000 2.168 135 L HA -0.100 4.103 4.340 -0.229 0.000 0.203 135 L C 2.389 179.309 176.870 0.083 0.000 1.078 135 L CA 0.748 55.613 54.840 0.041 0.000 0.780 135 L CB -0.554 41.571 42.059 0.109 0.000 0.939 135 L HN -0.088 nan 8.230 nan 0.000 0.451 136 K N 0.104 120.576 120.400 0.120 0.000 2.063 136 K HA -0.195 3.987 4.320 -0.229 0.000 0.208 136 K C 2.367 179.042 176.600 0.126 0.000 1.048 136 K CA 1.479 57.885 56.287 0.199 0.000 0.928 136 K CB -0.111 32.596 32.500 0.346 0.000 0.713 136 K HN 0.019 nan 8.250 nan 0.000 0.442 137 K N 0.015 120.311 120.400 -0.173 0.000 2.097 137 K HA -0.176 4.007 4.320 -0.229 0.000 0.206 137 K C 1.874 178.376 176.600 -0.164 0.000 1.049 137 K CA 1.520 57.529 56.287 -0.464 0.000 0.933 137 K CB -0.686 31.438 32.500 -0.627 0.000 0.717 137 K HN 0.397 nan 8.250 nan 0.000 0.442 138 Y N 1.379 121.519 120.300 -0.266 0.000 2.070 138 Y HA -0.190 4.222 4.550 -0.230 0.000 0.280 138 Y C 1.879 177.699 175.900 -0.133 0.000 1.148 138 Y CA 1.734 59.697 58.100 -0.228 0.000 1.125 138 Y CB -0.445 37.865 38.460 -0.251 0.000 0.975 138 Y HN -0.004 nan 8.280 nan 0.000 0.492 139 L N -0.787 120.408 121.223 -0.046 0.000 2.013 139 L HA -0.297 3.906 4.340 -0.229 0.000 0.212 139 L C 2.465 179.251 176.870 -0.140 0.000 1.073 139 L CA 2.131 56.898 54.840 -0.121 0.000 0.753 139 L CB -1.152 40.937 42.059 0.049 0.000 0.890 139 L HN 0.404 nan 8.230 nan 0.000 0.432 140 Y N 1.281 121.510 120.300 -0.118 0.000 2.128 140 Y HA -0.256 4.160 4.550 -0.224 0.000 0.284 140 Y C 2.607 178.427 175.900 -0.133 0.000 1.154 140 Y CA 1.684 59.750 58.100 -0.057 0.000 1.149 140 Y CB -0.188 38.340 38.460 0.113 0.000 0.976 140 Y HN 0.142 nan 8.280 nan 0.000 0.505 141 E N -0.098 119.865 120.200 -0.396 0.000 2.204 141 E HA -0.136 4.076 4.350 -0.229 0.000 0.194 141 E C 2.131 178.472 176.600 -0.433 0.000 0.989 141 E CA 0.987 57.101 56.400 -0.477 0.000 0.824 141 E CB -0.030 29.495 29.700 -0.292 0.000 0.756 141 E HN 0.508 nan 8.360 nan 0.000 0.477 142 I N 0.571 120.861 120.570 -0.466 0.000 2.429 142 I HA -0.029 4.004 4.170 -0.229 0.000 0.247 142 I C 2.356 178.319 176.117 -0.256 0.000 1.099 142 I CA 0.660 61.729 61.300 -0.385 0.000 1.422 142 I CB -1.554 36.057 38.000 -0.648 0.000 1.112 142 I HN -0.098 nan 8.210 nan 0.000 0.430 143 A N 1.743 124.390 122.820 -0.287 0.000 2.070 143 A HA -0.198 3.984 4.320 -0.229 0.000 0.220 143 A C 2.342 179.826 177.584 -0.167 0.000 1.159 143 A CA 1.584 53.517 52.037 -0.174 0.000 0.656 143 A CB -0.642 18.270 19.000 -0.148 0.000 0.800 143 A HN 0.576 nan 8.150 nan 0.000 0.453 144 R N -1.286 119.051 120.500 -0.272 0.000 2.210 144 R HA 0.146 4.348 4.340 -0.229 0.000 0.203 144 R C 1.706 177.864 176.300 -0.236 0.000 1.010 144 R CA 0.706 56.650 56.100 -0.260 0.000 1.008 144 R CB -0.173 29.884 30.300 -0.404 0.000 0.923 144 R HN 0.376 nan 8.270 nan 0.000 0.469 145 R N -0.168 120.155 120.500 -0.295 0.000 2.254 145 R HA 0.136 4.338 4.340 -0.229 0.000 0.195 145 R C -0.005 175.981 176.300 -0.525 0.000 0.957 145 R CA 0.347 56.205 56.100 -0.404 0.000 1.024 145 R CB 0.425 30.426 30.300 -0.498 0.000 0.952 145 R HN 0.310 nan 8.270 nan 0.000 0.484 146 H N 0.611 119.662 119.070 -0.032 0.000 2.380 146 H HA 0.167 4.594 4.556 -0.214 0.000 0.231 146 H C -1.978 173.383 175.328 0.055 0.000 1.415 146 H CA -2.007 54.083 56.048 0.070 0.000 1.433 146 H CB 1.205 31.091 29.762 0.207 0.000 1.544 146 H HN 0.012 nan 8.280 nan 0.000 0.503 147 P HA -0.168 nan 4.420 nan 0.000 0.231 147 P C 0.197 177.307 177.300 -0.317 0.000 1.154 147 P CA 1.229 64.221 63.100 -0.181 0.000 0.762 147 P CB 0.003 31.521 31.700 -0.305 0.000 0.790 148 Y N -2.911 117.441 120.300 0.088 0.000 2.641 148 Y HA 0.306 4.722 4.550 -0.224 0.000 0.248 148 Y C 0.813 176.785 175.900 0.120 0.000 1.170 148 Y CA -1.033 57.108 58.100 0.067 0.000 1.201 148 Y CB -0.291 38.176 38.460 0.012 0.000 1.232 148 Y HN -0.233 nan 8.280 nan 0.000 0.537 149 F N 1.270 121.306 119.950 0.144 0.000 2.578 149 F HA -0.031 4.409 4.527 -0.145 0.000 0.381 149 F C 0.476 176.395 175.800 0.198 0.000 1.069 149 F CA -0.775 57.298 58.000 0.123 0.000 1.231 149 F CB 0.122 39.148 39.000 0.044 0.000 1.086 149 F HN 0.094 nan 8.300 nan 0.000 0.564 150 Y N 7.236 127.619 120.300 0.138 0.000 2.853 150 Y HA 0.111 4.530 4.550 -0.219 0.000 0.365 150 Y C 1.119 177.217 175.900 0.329 0.000 1.310 150 Y CA -0.423 57.795 58.100 0.197 0.000 1.703 150 Y CB -0.225 38.318 38.460 0.137 0.000 1.238 150 Y HN 0.763 nan 8.280 nan 0.000 0.510 151 A N 7.564 130.541 122.820 0.262 0.000 1.881 151 A HA -0.246 3.936 4.320 -0.229 0.000 0.219 151 A C -0.215 177.351 177.584 -0.030 0.000 1.215 151 A CA 2.163 54.252 52.037 0.087 0.000 0.648 151 A CB -1.836 17.171 19.000 0.012 0.000 0.832 151 A HN 0.647 nan 8.150 nan 0.000 0.455 152 P HA -0.149 nan 4.420 nan 0.000 0.216 152 P C 1.351 178.589 177.300 -0.102 0.000 1.153 152 P CA 1.674 64.626 63.100 -0.247 0.000 0.858 152 P CB -0.017 31.404 31.700 -0.464 0.000 0.789 153 E N -0.913 119.209 120.200 -0.131 0.000 2.204 153 E HA -0.142 4.071 4.350 -0.229 0.000 0.194 153 E C 1.716 178.670 176.600 0.589 0.000 0.989 153 E CA 0.501 57.059 56.400 0.265 0.000 0.824 153 E CB -1.109 28.873 29.700 0.469 0.000 0.756 153 E HN 0.002 nan 8.360 nan 0.000 0.477 154 L N 0.062 121.574 121.223 0.482 0.000 2.131 154 L HA -0.092 4.110 4.340 -0.229 0.000 0.210 154 L C 1.806 178.835 176.870 0.266 0.000 1.092 154 L CA 1.529 56.544 54.840 0.291 0.000 0.759 154 L CB -0.331 41.711 42.059 -0.029 0.000 0.903 154 L HN 0.228 nan 8.230 nan 0.000 0.435 155 L N -2.049 119.291 121.223 0.195 0.000 2.217 155 L HA -0.188 4.015 4.340 -0.229 0.000 0.211 155 L C 2.366 179.333 176.870 0.160 0.000 1.107 155 L CA 0.992 55.915 54.840 0.140 0.000 0.783 155 L CB -0.581 41.528 42.059 0.083 0.000 0.919 155 L HN 0.302 nan 8.230 nan 0.000 0.442 156 F N 0.459 120.439 119.950 0.050 0.000 2.113 156 F HA -0.194 4.193 4.527 -0.232 0.000 0.297 156 F C 2.150 177.895 175.800 -0.092 0.000 1.103 156 F CA 1.362 59.321 58.000 -0.067 0.000 1.248 156 F CB -0.345 38.546 39.000 -0.182 0.000 0.999 156 F HN -0.138 nan 8.300 nan 0.000 0.475 157 F N 0.717 120.710 119.950 0.073 0.000 2.126 157 F HA -0.179 4.210 4.527 -0.231 0.000 0.299 157 F C 2.634 178.339 175.800 -0.159 0.000 1.096 157 F CA 1.485 59.464 58.000 -0.035 0.000 1.255 157 F CB -1.341 37.758 39.000 0.165 0.000 0.997 157 F HN 0.091 nan 8.300 nan 0.000 0.479 158 A N -0.124 122.772 122.820 0.126 0.000 1.892 158 A HA -0.305 3.877 4.320 -0.229 0.000 0.218 158 A C 2.230 179.739 177.584 -0.126 0.000 1.188 158 A CA 2.188 54.209 52.037 -0.026 0.000 0.631 158 A CB -0.860 18.195 19.000 0.091 0.000 0.822 158 A HN 0.382 nan 8.150 nan 0.000 0.447 159 K N -0.765 119.547 120.400 -0.147 0.000 2.147 159 K HA -0.136 4.047 4.320 -0.229 0.000 0.205 159 K C 2.375 178.833 176.600 -0.237 0.000 1.049 159 K CA 1.261 57.445 56.287 -0.170 0.000 0.936 159 K CB -0.044 32.337 32.500 -0.198 0.000 0.722 159 K HN 0.321 nan 8.250 nan 0.000 0.446 160 R N -1.680 118.599 120.500 -0.368 0.000 2.090 160 R HA -0.111 4.091 4.340 -0.229 0.000 0.228 160 R C 2.509 178.691 176.300 -0.197 0.000 1.110 160 R CA 1.637 57.539 56.100 -0.329 0.000 0.973 160 R CB -1.726 28.311 30.300 -0.438 0.000 0.869 160 R HN 0.624 nan 8.270 nan 0.000 0.440 161 Y N 0.870 121.046 120.300 -0.206 0.000 2.293 161 Y HA 0.022 4.435 4.550 -0.229 0.000 0.291 161 Y C 2.352 178.223 175.900 -0.050 0.000 1.137 161 Y CA 1.904 59.883 58.100 -0.200 0.000 1.202 161 Y CB -0.447 37.685 38.460 -0.546 0.000 0.990 161 Y HN 0.261 nan 8.280 nan 0.000 0.537 162 K N 0.151 120.519 120.400 -0.054 0.000 2.062 162 K HA -0.017 4.166 4.320 -0.229 0.000 0.205 162 K C 2.608 179.228 176.600 0.034 0.000 1.051 162 K CA 0.976 57.299 56.287 0.059 0.000 0.941 162 K CB -0.390 32.176 32.500 0.110 0.000 0.719 162 K HN 0.493 nan 8.250 nan 0.000 0.440 163 A N 1.056 123.862 122.820 -0.023 0.000 1.972 163 A HA -0.100 4.082 4.320 -0.229 0.000 0.219 163 A C 2.224 179.767 177.584 -0.069 0.000 1.169 163 A CA 1.740 53.759 52.037 -0.029 0.000 0.635 163 A CB -0.557 18.405 19.000 -0.063 0.000 0.810 163 A HN 0.448 nan 8.150 nan 0.000 0.446 164 A N -0.724 122.021 122.820 -0.124 0.000 1.845 164 A HA -0.014 4.169 4.320 -0.229 0.000 0.215 164 A C 1.955 179.358 177.584 -0.303 0.000 1.195 164 A CA 1.591 53.494 52.037 -0.224 0.000 0.616 164 A CB -0.810 18.003 19.000 -0.311 0.000 0.832 164 A HN 0.460 nan 8.150 nan 0.000 0.443 165 F N 0.562 120.283 119.950 -0.381 0.000 2.113 165 F HA -0.121 4.267 4.527 -0.231 0.000 0.297 165 F C 2.766 178.312 175.800 -0.424 0.000 1.103 165 F CA 1.861 59.492 58.000 -0.616 0.000 1.248 165 F CB -0.945 37.210 39.000 -1.408 0.000 0.999 165 F HN 0.121 nan 8.300 nan 0.000 0.475 166 T N -0.912 113.612 114.554 -0.051 0.000 2.897 166 T HA -0.235 3.978 4.350 -0.229 0.000 0.271 166 T C 1.761 176.545 174.700 0.140 0.000 1.084 166 T CA 1.692 63.935 62.100 0.239 0.000 1.123 166 T CB -0.237 68.788 68.868 0.263 0.000 0.865 166 T HN 0.398 nan 8.240 nan 0.000 0.496 167 E N -0.771 119.449 120.200 0.033 0.000 2.132 167 E HA -0.006 4.206 4.350 -0.229 0.000 0.193 167 E C 2.090 178.691 176.600 0.001 0.000 0.951 167 E CA 0.348 56.758 56.400 0.018 0.000 0.843 167 E CB -0.031 29.660 29.700 -0.016 0.000 0.807 167 E HN 0.381 nan 8.360 nan 0.000 0.467 168 c N 0.574 119.139 118.600 -0.058 0.000 2.435 168 c HA -0.041 4.392 4.570 -0.229 0.000 0.279 168 c C 2.603 176.683 174.090 -0.017 0.000 1.321 168 c CA 0.223 56.511 56.329 -0.068 0.000 1.752 168 c CB -0.799 41.615 42.510 -0.161 0.000 1.959 168 c HN 0.636 nan 8.230 nan 0.000 0.500 169 c N 1.161 119.772 118.600 0.019 0.000 2.449 169 c HA -0.078 4.354 4.570 -0.229 0.000 0.283 169 c C 1.771 175.966 174.090 0.176 0.000 1.453 169 c CA 0.852 57.243 56.329 0.103 0.000 1.779 169 c CB -2.061 40.514 42.510 0.109 0.000 1.779 169 c HN 0.776 nan 8.230 nan 0.000 0.546 170 Q N -0.473 119.408 119.800 0.136 0.000 2.324 170 Q HA 0.669 4.871 4.340 -0.229 0.000 0.373 170 Q C -0.306 175.728 176.000 0.057 0.000 0.909 170 Q CA -0.131 55.737 55.803 0.109 0.000 1.135 170 Q CB 0.450 29.257 28.738 0.115 0.000 1.313 170 Q HN 0.409 nan 8.270 nan 0.000 0.417 171 A N 0.224 123.069 122.820 0.042 0.000 2.470 171 A HA 0.888 5.071 4.320 -0.229 0.000 0.271 171 A C 0.605 178.199 177.584 0.017 0.000 1.269 171 A CA -0.170 51.880 52.037 0.021 0.000 0.828 171 A CB 0.383 19.387 19.000 0.007 0.000 1.374 171 A HN 0.357 nan 8.150 nan 0.000 0.454 172 A N -1.025 121.801 122.820 0.009 0.000 1.840 172 A HA 0.185 4.368 4.320 -0.229 0.000 0.214 172 A C 0.517 178.104 177.584 0.006 0.000 1.198 172 A CA 1.878 53.920 52.037 0.008 0.000 0.608 172 A CB -0.221 18.781 19.000 0.004 0.000 0.839 172 A HN 0.625 nan 8.150 nan 0.000 0.443 173 D N -1.063 119.337 120.400 0.000 0.000 2.454 173 D HA 0.350 4.853 4.640 -0.229 0.000 0.247 173 D C 0.457 176.750 176.300 -0.012 0.000 1.129 173 D CA -0.248 53.750 54.000 -0.003 0.000 0.877 173 D CB 1.130 41.927 40.800 -0.005 0.000 1.082 173 D HN 0.290 nan 8.370 nan 0.000 0.537 174 K N 1.634 122.028 120.400 -0.010 0.000 2.001 174 K HA -0.054 4.129 4.320 -0.229 0.000 0.208 174 K C 1.957 178.531 176.600 -0.044 0.000 1.048 174 K CA 0.957 57.227 56.287 -0.029 0.000 0.932 174 K CB -0.042 32.450 32.500 -0.014 0.000 0.715 174 K HN 0.302 nan 8.250 nan 0.000 0.437 175 A N 2.097 124.901 122.820 -0.026 0.000 1.940 175 A HA -0.279 3.903 4.320 -0.229 0.000 0.221 175 A C 2.466 180.028 177.584 -0.036 0.000 1.190 175 A CA 2.429 54.449 52.037 -0.028 0.000 0.647 175 A CB -0.973 18.020 19.000 -0.011 0.000 0.821 175 A HN 0.421 nan 8.150 nan 0.000 0.457 176 A N -2.043 120.759 122.820 -0.030 0.000 2.014 176 A HA -0.071 4.111 4.320 -0.229 0.000 0.218 176 A C 2.341 179.900 177.584 -0.042 0.000 1.163 176 A CA 1.619 53.638 52.037 -0.029 0.000 0.652 176 A CB -1.031 17.957 19.000 -0.020 0.000 0.808 176 A HN 0.862 nan 8.150 nan 0.000 0.449 177 c N -1.962 116.605 118.600 -0.055 0.000 2.524 177 c HA 0.350 4.783 4.570 -0.229 0.000 0.284 177 c C 2.858 176.878 174.090 -0.116 0.000 1.346 177 c CA 1.136 57.421 56.329 -0.072 0.000 1.739 177 c CB -0.857 41.614 42.510 -0.065 0.000 2.119 177 c HN 0.613 nan 8.230 nan 0.000 0.501 178 L N 0.754 121.885 121.223 -0.153 0.000 2.062 178 L HA 0.253 4.456 4.340 -0.229 0.000 0.202 178 L C 2.529 179.286 176.870 -0.188 0.000 1.079 178 L CA 2.086 56.778 54.840 -0.248 0.000 0.755 178 L CB -1.790 40.059 42.059 -0.351 0.000 0.913 178 L HN 0.504 nan 8.230 nan 0.000 0.445 179 L N -0.288 120.860 121.223 -0.125 0.000 2.082 179 L HA -0.277 3.926 4.340 -0.229 0.000 0.223 179 L C 0.599 177.433 176.870 -0.060 0.000 1.086 179 L CA 2.289 57.084 54.840 -0.076 0.000 0.793 179 L CB -1.852 40.181 42.059 -0.042 0.000 0.896 179 L HN 0.345 nan 8.230 nan 0.000 0.441 180 P HA -0.163 nan 4.420 nan 0.000 0.212 180 P C 1.363 178.639 177.300 -0.039 0.000 1.180 180 P CA 1.348 64.426 63.100 -0.036 0.000 0.906 180 P CB -0.027 31.653 31.700 -0.033 0.000 0.782 181 K N -0.600 119.761 120.400 -0.065 0.000 2.173 181 K HA -0.161 4.021 4.320 -0.229 0.000 0.207 181 K C 2.021 178.584 176.600 -0.062 0.000 1.046 181 K CA 1.175 57.422 56.287 -0.068 0.000 0.929 181 K CB -0.762 31.669 32.500 -0.114 0.000 0.720 181 K HN 0.168 nan 8.250 nan 0.000 0.453 182 L N 0.658 121.829 121.223 -0.086 0.000 2.156 182 L HA -0.156 4.046 4.340 -0.229 0.000 0.208 182 L C 1.720 178.594 176.870 0.008 0.000 1.095 182 L CA 0.849 55.655 54.840 -0.057 0.000 0.770 182 L CB -0.208 41.799 42.059 -0.087 0.000 0.914 182 L HN 0.185 nan 8.230 nan 0.000 0.439 183 D N -0.266 120.138 120.400 0.006 0.000 2.137 183 D HA -0.196 4.307 4.640 -0.229 0.000 0.202 183 D C 1.907 178.238 176.300 0.052 0.000 0.970 183 D CA 0.924 54.942 54.000 0.030 0.000 0.837 183 D CB 0.101 40.914 40.800 0.021 0.000 0.981 183 D HN 0.334 nan 8.370 nan 0.000 0.475 184 E N 0.639 120.867 120.200 0.048 0.000 2.085 184 E HA -0.157 4.056 4.350 -0.229 0.000 0.194 184 E C 2.295 178.965 176.600 0.118 0.000 0.994 184 E CA 0.654 57.098 56.400 0.073 0.000 0.801 184 E CB -0.040 29.694 29.700 0.056 0.000 0.743 184 E HN 0.189 nan 8.360 nan 0.000 0.453 185 L N 0.481 121.774 121.223 0.117 0.000 2.027 185 L HA -0.166 4.036 4.340 -0.229 0.000 0.206 185 L C 2.924 179.891 176.870 0.162 0.000 1.074 185 L CA 1.551 56.506 54.840 0.191 0.000 0.745 185 L CB -0.539 41.618 42.059 0.163 0.000 0.898 185 L HN 0.193 nan 8.230 nan 0.000 0.433 186 R N 0.237 120.802 120.500 0.109 0.000 2.091 186 R HA -0.209 3.994 4.340 -0.229 0.000 0.238 186 R C 1.660 178.004 176.300 0.073 0.000 1.136 186 R CA 2.157 58.306 56.100 0.082 0.000 0.959 186 R CB -0.427 29.915 30.300 0.071 0.000 0.856 186 R HN 0.289 nan 8.270 nan 0.000 0.437 187 D N 0.581 121.034 120.400 0.087 0.000 2.077 187 D HA -0.183 4.319 4.640 -0.229 0.000 0.196 187 D C 1.780 178.144 176.300 0.107 0.000 0.986 187 D CA 1.498 55.551 54.000 0.089 0.000 0.829 187 D CB -0.465 40.390 40.800 0.091 0.000 0.983 187 D HN 0.446 nan 8.370 nan 0.000 0.453 188 E N 0.239 120.539 120.200 0.167 0.000 2.160 188 E HA -0.145 4.067 4.350 -0.229 0.000 0.195 188 E C 2.044 178.764 176.600 0.201 0.000 0.991 188 E CA 1.181 57.732 56.400 0.252 0.000 0.810 188 E CB -0.220 29.713 29.700 0.388 0.000 0.742 188 E HN 0.278 nan 8.360 nan 0.000 0.466 189 G N 0.705 109.527 108.800 0.037 0.000 2.422 189 G HA2 -0.238 3.584 3.960 -0.229 0.000 0.218 189 G HA3 -0.238 3.584 3.960 -0.229 0.000 0.218 189 G C 1.478 176.302 174.900 -0.126 0.000 1.140 189 G CA 0.641 45.607 45.100 -0.224 0.000 0.775 189 G HN 0.167 nan 8.290 nan 0.000 0.545 190 K N 0.409 120.761 120.400 -0.079 0.000 2.062 190 K HA 0.185 4.368 4.320 -0.229 0.000 0.205 190 K C 2.981 179.511 176.600 -0.117 0.000 1.051 190 K CA 0.715 56.931 56.287 -0.118 0.000 0.941 190 K CB -0.172 32.321 32.500 -0.012 0.000 0.719 190 K HN 0.230 nan 8.250 nan 0.000 0.440 191 A N 1.182 123.985 122.820 -0.029 0.000 1.849 191 A HA -0.274 3.908 4.320 -0.229 0.000 0.217 191 A C 2.249 179.780 177.584 -0.088 0.000 1.202 191 A CA 2.345 54.374 52.037 -0.013 0.000 0.629 191 A CB -1.189 17.865 19.000 0.090 0.000 0.834 191 A HN 0.282 nan 8.150 nan 0.000 0.447 192 S N -0.832 114.831 115.700 -0.061 0.000 2.372 192 S HA -0.231 4.102 4.470 -0.229 0.000 0.227 192 S C 2.369 176.702 174.600 -0.444 0.000 1.044 192 S CA 2.240 60.347 58.200 -0.155 0.000 1.050 192 S CB -0.555 62.621 63.200 -0.040 0.000 0.901 192 S HN 0.712 nan 8.310 nan 0.000 0.447 193 S N 0.397 115.719 115.700 -0.631 0.000 2.370 193 S HA -0.079 4.253 4.470 -0.229 0.000 0.226 193 S C 2.011 176.427 174.600 -0.306 0.000 1.033 193 S CA 1.542 59.380 58.200 -0.604 0.000 1.011 193 S CB -0.739 62.121 63.200 -0.567 0.000 0.852 193 S HN 0.676 nan 8.310 nan 0.000 0.457 194 A N 1.599 124.271 122.820 -0.246 0.000 1.845 194 A HA -0.102 4.081 4.320 -0.229 0.000 0.215 194 A C 2.105 179.550 177.584 -0.231 0.000 1.195 194 A CA 1.708 53.620 52.037 -0.209 0.000 0.616 194 A CB -0.743 18.128 19.000 -0.215 0.000 0.832 194 A HN 0.622 nan 8.150 nan 0.000 0.443 195 K N -1.064 119.198 120.400 -0.230 0.000 2.015 195 K HA -0.284 3.899 4.320 -0.229 0.000 0.216 195 K C 2.372 178.814 176.600 -0.264 0.000 1.052 195 K CA 1.896 58.039 56.287 -0.239 0.000 0.937 195 K CB -0.276 32.117 32.500 -0.177 0.000 0.719 195 K HN 0.446 nan 8.250 nan 0.000 0.446 196 Q N 1.292 120.948 119.800 -0.240 0.000 2.152 196 Q HA -0.209 3.994 4.340 -0.229 0.000 0.206 196 Q C 1.935 177.823 176.000 -0.187 0.000 0.985 196 Q CA 1.662 57.335 55.803 -0.216 0.000 0.863 196 Q CB -0.199 28.443 28.738 -0.161 0.000 0.904 196 Q HN 0.079 nan 8.270 nan 0.000 0.422 197 R N -0.576 119.809 120.500 -0.192 0.000 2.152 197 R HA -0.074 4.129 4.340 -0.229 0.000 0.232 197 R C 1.827 177.973 176.300 -0.256 0.000 1.117 197 R CA 0.950 56.910 56.100 -0.234 0.000 0.981 197 R CB -0.634 29.544 30.300 -0.203 0.000 0.870 197 R HN 0.414 nan 8.270 nan 0.000 0.451 198 L N 0.515 121.586 121.223 -0.254 0.000 2.072 198 L HA -0.020 4.183 4.340 -0.229 0.000 0.205 198 L C 1.502 178.214 176.870 -0.264 0.000 1.079 198 L CA 1.816 56.498 54.840 -0.264 0.000 0.752 198 L CB -0.385 41.478 42.059 -0.326 0.000 0.906 198 L HN 0.055 nan 8.230 nan 0.000 0.436 199 K N -1.064 119.155 120.400 -0.302 0.000 2.063 199 K HA -0.181 4.001 4.320 -0.229 0.000 0.208 199 K C 2.123 178.678 176.600 -0.075 0.000 1.048 199 K CA 1.756 57.923 56.287 -0.200 0.000 0.928 199 K CB -0.665 31.682 32.500 -0.256 0.000 0.713 199 K HN 0.425 nan 8.250 nan 0.000 0.442 200 c N 0.678 119.208 118.600 -0.116 0.000 2.446 200 c HA -0.044 4.388 4.570 -0.229 0.000 0.277 200 c C 2.967 177.000 174.090 -0.095 0.000 1.275 200 c CA 0.710 56.988 56.329 -0.084 0.000 1.727 200 c CB -0.909 41.537 42.510 -0.107 0.000 2.010 200 c HN 0.543 nan 8.230 nan 0.000 0.486 201 A N 0.831 123.565 122.820 -0.142 0.000 1.902 201 A HA -0.155 4.027 4.320 -0.229 0.000 0.217 201 A C 2.233 179.856 177.584 0.066 0.000 1.181 201 A CA 2.346 54.332 52.037 -0.085 0.000 0.623 201 A CB -0.772 18.174 19.000 -0.090 0.000 0.818 201 A HN 0.577 nan 8.150 nan 0.000 0.443 202 S N 0.134 115.895 115.700 0.103 0.000 2.351 202 S HA -0.151 4.182 4.470 -0.229 0.000 0.220 202 S C 1.875 176.630 174.600 0.258 0.000 1.035 202 S CA 1.571 59.923 58.200 0.253 0.000 1.031 202 S CB -0.635 62.624 63.200 0.098 0.000 0.928 202 S HN 0.491 nan 8.310 nan 0.000 0.433 203 L N 1.137 122.455 121.223 0.158 0.000 2.013 203 L HA -0.234 3.969 4.340 -0.229 0.000 0.212 203 L C 2.828 179.731 176.870 0.054 0.000 1.073 203 L CA 1.514 56.409 54.840 0.093 0.000 0.753 203 L CB -0.490 41.555 42.059 -0.024 0.000 0.890 203 L HN 0.393 nan 8.230 nan 0.000 0.432 204 Q N -0.648 119.163 119.800 0.019 0.000 2.137 204 Q HA -0.137 4.065 4.340 -0.229 0.000 0.198 204 Q C 1.921 177.866 176.000 -0.092 0.000 0.960 204 Q CA 1.084 56.876 55.803 -0.018 0.000 0.847 204 Q CB 0.191 28.918 28.738 -0.019 0.000 0.915 204 Q HN 0.401 nan 8.270 nan 0.000 0.448 205 K N -1.056 119.233 120.400 -0.184 0.000 2.361 205 K HA 0.101 4.284 4.320 -0.229 0.000 0.194 205 K C 0.369 176.511 176.600 -0.763 0.000 1.032 205 K CA 0.326 56.319 56.287 -0.489 0.000 1.048 205 K CB 0.651 32.740 32.500 -0.685 0.000 0.842 205 K HN 0.071 nan 8.250 nan 0.000 0.526 206 F N -0.220 119.731 119.950 0.003 0.000 2.817 206 F HA 0.288 4.672 4.527 -0.239 0.000 0.333 206 F C 0.772 176.591 175.800 0.032 0.000 1.085 206 F CA -0.096 57.913 58.000 0.014 0.000 1.170 206 F CB 1.366 40.372 39.000 0.010 0.000 1.066 206 F HN 0.005 nan 8.300 nan 0.000 0.564 207 G N 1.579 110.478 108.800 0.165 0.000 2.663 207 G HA2 -0.201 3.622 3.960 -0.229 0.000 0.686 207 G HA3 -0.201 3.622 3.960 -0.229 0.000 0.686 207 G C 0.471 175.468 174.900 0.163 0.000 1.288 207 G CA -0.175 45.002 45.100 0.128 0.000 0.836 207 G HN 0.422 nan 8.290 nan 0.000 0.584 208 E N -0.534 119.744 120.200 0.130 0.000 2.358 208 E HA 0.014 4.226 4.350 -0.229 0.000 0.195 208 E C 2.284 179.005 176.600 0.202 0.000 1.010 208 E CA 1.077 57.576 56.400 0.165 0.000 0.856 208 E CB 0.021 29.783 29.700 0.104 0.000 0.795 208 E HN 0.577 nan 8.360 nan 0.000 0.504 209 R N 0.801 121.396 120.500 0.159 0.000 2.083 209 R HA -0.064 4.138 4.340 -0.229 0.000 0.237 209 R C 2.339 178.733 176.300 0.157 0.000 1.137 209 R CA 1.559 57.746 56.100 0.146 0.000 0.951 209 R CB -1.274 29.098 30.300 0.119 0.000 0.851 209 R HN 0.512 nan 8.270 nan 0.000 0.434 210 A N -0.427 122.491 122.820 0.163 0.000 1.877 210 A HA -0.069 4.114 4.320 -0.229 0.000 0.216 210 A C 2.171 179.849 177.584 0.156 0.000 1.186 210 A CA 1.701 53.814 52.037 0.126 0.000 0.620 210 A CB -0.904 18.166 19.000 0.116 0.000 0.822 210 A HN 0.646 nan 8.150 nan 0.000 0.443 211 F N 0.830 120.842 119.950 0.103 0.000 2.161 211 F HA -0.180 4.199 4.527 -0.246 0.000 0.300 211 F C 2.177 178.098 175.800 0.201 0.000 1.089 211 F CA 2.148 60.231 58.000 0.137 0.000 1.282 211 F CB -0.087 38.967 39.000 0.090 0.000 1.010 211 F HN 0.148 nan 8.300 nan 0.000 0.485 212 K N 0.084 120.674 120.400 0.317 0.000 2.026 212 K HA -0.133 4.050 4.320 -0.229 0.000 0.208 212 K C 2.362 179.007 176.600 0.076 0.000 1.048 212 K CA 1.173 57.588 56.287 0.213 0.000 0.929 212 K CB -0.653 31.965 32.500 0.195 0.000 0.713 212 K HN 0.326 nan 8.250 nan 0.000 0.439 213 A N 1.233 124.100 122.820 0.078 0.000 1.873 213 A HA -0.231 3.952 4.320 -0.229 0.000 0.218 213 A C 1.980 179.539 177.584 -0.043 0.000 1.193 213 A CA 1.738 53.795 52.037 0.033 0.000 0.629 213 A CB -1.143 17.883 19.000 0.045 0.000 0.826 213 A HN 0.638 nan 8.150 nan 0.000 0.447 214 W N 0.637 121.811 121.300 -0.211 0.000 2.338 214 W HA -0.145 4.403 4.660 -0.187 0.000 0.304 214 W C 2.400 178.734 176.519 -0.308 0.000 1.212 214 W CA 2.297 59.467 57.345 -0.292 0.000 1.264 214 W CB -0.251 28.962 29.460 -0.412 0.000 1.142 214 W HN 0.376 nan 8.180 nan 0.000 0.512 215 A N -0.179 122.363 122.820 -0.463 0.000 1.902 215 A HA -0.154 4.029 4.320 -0.229 0.000 0.217 215 A C 2.050 179.398 177.584 -0.393 0.000 1.181 215 A CA 2.307 54.021 52.037 -0.539 0.000 0.623 215 A CB -1.239 17.668 19.000 -0.155 0.000 0.818 215 A HN 0.182 nan 8.150 nan 0.000 0.443 216 V N -0.009 119.781 119.914 -0.205 0.000 2.220 216 V HA -0.300 3.683 4.120 -0.229 0.000 0.246 216 V C 3.100 179.100 176.094 -0.156 0.000 1.049 216 V CA 2.241 64.487 62.300 -0.089 0.000 1.003 216 V CB -1.434 30.408 31.823 0.032 0.000 0.634 216 V HN 0.629 nan 8.190 nan 0.000 0.444 217 A N 0.143 122.827 122.820 -0.227 0.000 1.873 217 A HA -0.316 3.866 4.320 -0.229 0.000 0.218 217 A C 2.292 179.655 177.584 -0.368 0.000 1.193 217 A CA 2.559 54.438 52.037 -0.263 0.000 0.629 217 A CB -0.655 18.184 19.000 -0.268 0.000 0.826 217 A HN 0.460 nan 8.150 nan 0.000 0.447 218 R N 0.054 120.188 120.500 -0.611 0.000 2.091 218 R HA -0.025 4.178 4.340 -0.229 0.000 0.238 218 R C 1.861 177.859 176.300 -0.504 0.000 1.136 218 R CA 1.770 57.468 56.100 -0.669 0.000 0.959 218 R CB -0.803 28.765 30.300 -1.220 0.000 0.856 218 R HN 0.549 nan 8.270 nan 0.000 0.437 219 L N -0.449 120.510 121.223 -0.440 0.000 2.179 219 L HA -0.002 4.200 4.340 -0.229 0.000 0.208 219 L C 2.095 178.827 176.870 -0.231 0.000 1.096 219 L CA 1.077 55.702 54.840 -0.358 0.000 0.779 219 L CB -0.287 41.662 42.059 -0.183 0.000 0.922 219 L HN 0.170 nan 8.230 nan 0.000 0.443 220 S N -0.402 115.220 115.700 -0.131 0.000 2.402 220 S HA -0.187 4.146 4.470 -0.229 0.000 0.229 220 S C 1.913 176.410 174.600 -0.171 0.000 1.021 220 S CA 1.082 59.242 58.200 -0.066 0.000 0.974 220 S CB -0.103 63.070 63.200 -0.046 0.000 0.800 220 S HN 0.446 nan 8.310 nan 0.000 0.484 221 Q N 0.532 120.200 119.800 -0.220 0.000 2.079 221 Q HA -0.017 4.186 4.340 -0.229 0.000 0.200 221 Q C 2.409 178.274 176.000 -0.225 0.000 0.974 221 Q CA 0.996 56.673 55.803 -0.211 0.000 0.840 221 Q CB -0.105 28.509 28.738 -0.205 0.000 0.898 221 Q HN 0.383 nan 8.270 nan 0.000 0.430 222 R N -0.371 119.920 120.500 -0.349 0.000 2.090 222 R HA -0.052 4.151 4.340 -0.229 0.000 0.228 222 R C -0.156 175.924 176.300 -0.368 0.000 1.110 222 R CA 0.775 56.578 56.100 -0.495 0.000 0.973 222 R CB 0.360 30.134 30.300 -0.877 0.000 0.869 222 R HN 0.058 nan 8.270 nan 0.000 0.440 223 F N 0.189 120.096 119.950 -0.073 0.000 2.449 223 F HA 0.391 4.783 4.527 -0.225 0.000 0.329 223 F C -1.970 173.803 175.800 -0.045 0.000 1.245 223 F CA -3.241 54.730 58.000 -0.048 0.000 1.193 223 F CB 1.448 40.428 39.000 -0.032 0.000 1.425 223 F HN -0.086 nan 8.300 nan 0.000 0.544 224 P HA -0.181 nan 4.420 nan 0.000 0.218 224 P C 1.778 179.084 177.300 0.009 0.000 1.148 224 P CA 2.030 65.110 63.100 -0.032 0.000 0.822 224 P CB 0.299 31.958 31.700 -0.067 0.000 0.784 225 K N -0.387 120.047 120.400 0.057 0.000 2.228 225 K HA 0.322 4.504 4.320 -0.229 0.000 0.202 225 K C 1.351 178.007 176.600 0.094 0.000 1.051 225 K CA 0.915 57.235 56.287 0.054 0.000 0.960 225 K CB -1.277 31.241 32.500 0.031 0.000 0.743 225 K HN 0.314 nan 8.250 nan 0.000 0.458 226 A N 0.999 123.895 122.820 0.127 0.000 2.507 226 A HA 0.471 4.654 4.320 -0.229 0.000 0.235 226 A C 0.643 178.370 177.584 0.238 0.000 1.070 226 A CA 0.404 52.520 52.037 0.133 0.000 0.768 226 A CB -0.426 18.658 19.000 0.139 0.000 1.011 226 A HN 0.810 nan 8.150 nan 0.000 0.502 227 E N 0.204 120.496 120.200 0.154 0.000 2.277 227 E HA 0.467 4.679 4.350 -0.229 0.000 0.274 227 E C 0.442 177.044 176.600 0.004 0.000 1.022 227 E CA -0.173 56.317 56.400 0.149 0.000 0.853 227 E CB 0.273 30.021 29.700 0.081 0.000 1.086 227 E HN 1.014 nan 8.360 nan 0.000 0.397 228 F N 1.768 121.446 119.950 -0.453 0.000 2.115 228 F HA -0.165 4.224 4.527 -0.230 0.000 0.300 228 F C 2.313 177.931 175.800 -0.303 0.000 1.092 228 F CA 2.756 60.272 58.000 -0.806 0.000 1.245 228 F CB -0.435 38.041 39.000 -0.873 0.000 0.995 228 F HN 0.548 nan 8.300 nan 0.000 0.481 229 A N -1.122 121.535 122.820 -0.272 0.000 2.168 229 A HA -0.071 4.112 4.320 -0.229 0.000 0.215 229 A C 1.951 179.425 177.584 -0.183 0.000 1.152 229 A CA 1.381 53.259 52.037 -0.264 0.000 0.716 229 A CB -0.649 18.306 19.000 -0.073 0.000 0.794 229 A HN 0.483 nan 8.150 nan 0.000 0.465 230 E N -0.323 119.798 120.200 -0.132 0.000 2.057 230 E HA -0.026 4.187 4.350 -0.229 0.000 0.190 230 E C 1.821 178.366 176.600 -0.093 0.000 0.969 230 E CA 1.258 57.618 56.400 -0.067 0.000 0.812 230 E CB -0.360 29.324 29.700 -0.025 0.000 0.777 230 E HN 0.153 nan 8.360 nan 0.000 0.455 231 V N 0.710 120.569 119.914 -0.092 0.000 2.287 231 V HA -0.282 3.701 4.120 -0.229 0.000 0.248 231 V C 2.305 178.316 176.094 -0.138 0.000 1.053 231 V CA 2.057 64.331 62.300 -0.043 0.000 1.027 231 V CB -0.781 31.076 31.823 0.056 0.000 0.646 231 V HN 0.249 nan 8.190 nan 0.000 0.447 232 S N -0.555 114.945 115.700 -0.333 0.000 2.392 232 S HA -0.284 4.049 4.470 -0.229 0.000 0.232 232 S C 2.065 176.581 174.600 -0.139 0.000 1.041 232 S CA 1.739 59.740 58.200 -0.331 0.000 1.026 232 S CB -0.359 62.507 63.200 -0.558 0.000 0.845 232 S HN 0.474 nan 8.310 nan 0.000 0.465 233 K N 1.530 121.870 120.400 -0.101 0.000 2.002 233 K HA -0.001 4.181 4.320 -0.229 0.000 0.209 233 K C 2.058 178.666 176.600 0.013 0.000 1.048 233 K CA 1.213 57.495 56.287 -0.007 0.000 0.930 233 K CB -0.735 31.794 32.500 0.048 0.000 0.714 233 K HN 0.357 nan 8.250 nan 0.000 0.438 234 L N 0.782 121.991 121.223 -0.023 0.000 1.990 234 L HA -0.235 3.967 4.340 -0.229 0.000 0.213 234 L C 2.598 179.501 176.870 0.055 0.000 1.072 234 L CA 1.387 56.224 54.840 -0.005 0.000 0.755 234 L CB -0.747 41.313 42.059 0.002 0.000 0.889 234 L HN -0.038 nan 8.230 nan 0.000 0.432 235 V N -0.266 119.674 119.914 0.044 0.000 2.324 235 V HA -0.328 3.655 4.120 -0.229 0.000 0.250 235 V C 2.572 178.744 176.094 0.130 0.000 1.060 235 V CA 2.462 64.815 62.300 0.088 0.000 1.042 235 V CB -0.960 30.888 31.823 0.042 0.000 0.650 235 V HN 0.546 nan 8.190 nan 0.000 0.450 236 T N -0.482 114.121 114.554 0.082 0.000 2.708 236 T HA -0.193 4.019 4.350 -0.229 0.000 0.266 236 T C 1.629 176.389 174.700 0.100 0.000 1.037 236 T CA 1.709 63.861 62.100 0.087 0.000 1.146 236 T CB -0.380 68.521 68.868 0.056 0.000 0.865 236 T HN 0.500 nan 8.240 nan 0.000 0.435 237 D N 1.074 121.534 120.400 0.100 0.000 2.078 237 D HA -0.034 4.468 4.640 -0.229 0.000 0.193 237 D C 2.132 178.507 176.300 0.125 0.000 0.990 237 D CA 0.592 54.655 54.000 0.104 0.000 0.827 237 D CB -0.729 40.138 40.800 0.111 0.000 0.975 237 D HN 0.105 nan 8.370 nan 0.000 0.451 238 L N 1.185 122.508 121.223 0.166 0.000 2.034 238 L HA -0.239 3.963 4.340 -0.229 0.000 0.217 238 L C 2.244 179.278 176.870 0.273 0.000 1.077 238 L CA 1.908 56.900 54.840 0.253 0.000 0.769 238 L CB -1.100 41.147 42.059 0.313 0.000 0.890 238 L HN 0.021 nan 8.230 nan 0.000 0.435 239 T N -1.060 113.644 114.554 0.249 0.000 2.635 239 T HA -0.299 3.913 4.350 -0.229 0.000 0.267 239 T C 1.984 176.662 174.700 -0.037 0.000 1.040 239 T CA 2.013 64.159 62.100 0.077 0.000 1.156 239 T CB -0.400 68.553 68.868 0.142 0.000 0.863 239 T HN 0.324 nan 8.240 nan 0.000 0.430 240 K N 0.683 121.100 120.400 0.028 0.000 2.001 240 K HA -0.163 4.020 4.320 -0.229 0.000 0.214 240 K C 2.432 179.032 176.600 0.000 0.000 1.050 240 K CA 1.649 57.943 56.287 0.011 0.000 0.934 240 K CB -1.222 31.299 32.500 0.034 0.000 0.718 240 K HN 0.326 nan 8.250 nan 0.000 0.443 241 V N 1.089 121.016 119.914 0.021 0.000 2.233 241 V HA -0.340 3.643 4.120 -0.229 0.000 0.252 241 V C 2.637 178.688 176.094 -0.072 0.000 1.063 241 V CA 2.553 64.844 62.300 -0.015 0.000 1.032 241 V CB -0.791 31.027 31.823 -0.009 0.000 0.645 241 V HN 0.638 nan 8.190 nan 0.000 0.446 242 H N -0.236 118.814 119.070 -0.033 0.000 2.423 242 H HA -0.095 4.324 4.556 -0.228 0.000 0.297 242 H C 2.447 177.683 175.328 -0.153 0.000 1.075 242 H CA 1.905 57.877 56.048 -0.126 0.000 1.342 242 H CB -0.421 29.147 29.762 -0.323 0.000 1.395 242 H HN 0.480 nan 8.280 nan 0.000 0.530 243 T N 0.453 114.955 114.554 -0.087 0.000 2.720 243 T HA -0.183 4.030 4.350 -0.229 0.000 0.268 243 T C 2.337 177.046 174.700 0.015 0.000 1.037 243 T CA 1.915 63.972 62.100 -0.072 0.000 1.144 243 T CB -0.265 68.553 68.868 -0.083 0.000 0.864 243 T HN 0.694 nan 8.240 nan 0.000 0.444 244 E N 0.385 120.597 120.200 0.020 0.000 2.015 244 E HA -0.147 4.066 4.350 -0.229 0.000 0.191 244 E C 2.445 179.098 176.600 0.088 0.000 0.991 244 E CA 1.400 57.832 56.400 0.053 0.000 0.802 244 E CB -1.359 28.351 29.700 0.017 0.000 0.759 244 E HN 0.618 nan 8.360 nan 0.000 0.447 245 c N -0.049 118.595 118.600 0.073 0.000 2.388 245 c HA -0.194 4.238 4.570 -0.229 0.000 0.277 245 c C 2.911 177.082 174.090 0.136 0.000 1.210 245 c CA 1.245 57.640 56.329 0.110 0.000 1.743 245 c CB -1.101 41.519 42.510 0.183 0.000 2.047 245 c HN 0.815 nan 8.230 nan 0.000 0.458 246 c N -1.396 117.296 118.600 0.153 0.000 2.409 246 c HA -0.137 4.295 4.570 -0.229 0.000 0.284 246 c C 2.277 176.476 174.090 0.181 0.000 1.354 246 c CA 1.422 57.860 56.329 0.182 0.000 1.787 246 c CB -2.049 40.547 42.510 0.144 0.000 1.900 246 c HN 0.763 nan 8.230 nan 0.000 0.520 247 H N -0.772 118.339 119.070 0.069 0.000 2.551 247 H HA 0.292 4.709 4.556 -0.231 0.000 0.271 247 H C 1.663 177.049 175.328 0.097 0.000 0.984 247 H CA 1.007 57.098 56.048 0.071 0.000 1.164 247 H CB -0.033 29.774 29.762 0.076 0.000 1.437 247 H HN 0.385 nan 8.280 nan 0.000 0.550 248 G N 0.162 109.024 108.800 0.104 0.000 2.195 248 G HA2 -0.230 3.593 3.960 -0.229 0.000 0.224 248 G HA3 -0.230 3.593 3.960 -0.229 0.000 0.224 248 G C -0.106 174.850 174.900 0.093 0.000 0.990 248 G CA 0.133 45.300 45.100 0.112 0.000 0.639 248 G HN 0.454 nan 8.290 nan 0.000 0.514 249 D N 1.873 122.334 120.400 0.103 0.000 2.767 249 D HA 0.281 4.784 4.640 -0.229 0.000 0.231 249 D C 2.164 178.408 176.300 -0.093 0.000 1.105 249 D CA -0.171 53.806 54.000 -0.039 0.000 1.024 249 D CB -0.064 40.743 40.800 0.013 0.000 1.123 249 D HN 0.397 nan 8.370 nan 0.000 0.470 250 L N -0.277 120.855 121.223 -0.151 0.000 2.042 250 L HA -0.204 3.998 4.340 -0.229 0.000 0.210 250 L C 2.364 179.134 176.870 -0.165 0.000 1.076 250 L CA 0.974 55.724 54.840 -0.150 0.000 0.749 250 L CB -0.427 41.515 42.059 -0.194 0.000 0.893 250 L HN 0.281 nan 8.230 nan 0.000 0.432 251 L N -0.028 121.061 121.223 -0.223 0.000 1.970 251 L HA -0.219 3.984 4.340 -0.229 0.000 0.212 251 L C 2.920 179.727 176.870 -0.105 0.000 1.071 251 L CA 1.594 56.330 54.840 -0.173 0.000 0.751 251 L CB -0.874 41.081 42.059 -0.174 0.000 0.889 251 L HN 0.403 nan 8.230 nan 0.000 0.432 252 E N 0.019 120.155 120.200 -0.107 0.000 2.118 252 E HA -0.291 3.921 4.350 -0.229 0.000 0.195 252 E C 2.354 178.925 176.600 -0.049 0.000 0.992 252 E CA 1.740 58.093 56.400 -0.079 0.000 0.804 252 E CB -1.330 28.317 29.700 -0.087 0.000 0.741 252 E HN 0.588 nan 8.360 nan 0.000 0.458 253 c N 1.748 120.318 118.600 -0.049 0.000 2.413 253 c HA 0.025 4.458 4.570 -0.229 0.000 0.276 253 c C 3.094 177.160 174.090 -0.040 0.000 1.236 253 c CA 1.675 57.986 56.329 -0.029 0.000 1.735 253 c CB -1.156 41.345 42.510 -0.014 0.000 2.031 253 c HN 0.562 nan 8.230 nan 0.000 0.474 254 A N -0.269 122.514 122.820 -0.062 0.000 1.933 254 A HA -0.165 4.017 4.320 -0.229 0.000 0.218 254 A C 2.064 179.632 177.584 -0.027 0.000 1.175 254 A CA 2.179 54.177 52.037 -0.065 0.000 0.628 254 A CB -0.814 18.141 19.000 -0.074 0.000 0.814 254 A HN 0.719 nan 8.150 nan 0.000 0.444 255 D N 0.125 120.517 120.400 -0.014 0.000 2.077 255 D HA -0.149 4.354 4.640 -0.229 0.000 0.197 255 D C 1.362 177.680 176.300 0.029 0.000 0.983 255 D CA 1.422 55.433 54.000 0.019 0.000 0.841 255 D CB -0.351 40.462 40.800 0.023 0.000 0.992 255 D HN 0.355 nan 8.370 nan 0.000 0.450 256 D N 0.323 120.737 120.400 0.023 0.000 2.149 256 D HA -0.217 4.286 4.640 -0.229 0.000 0.194 256 D C 2.129 178.458 176.300 0.048 0.000 1.001 256 D CA 0.746 54.770 54.000 0.039 0.000 0.849 256 D CB -0.261 40.557 40.800 0.030 0.000 0.939 256 D HN 0.265 nan 8.370 nan 0.000 0.449 257 R N 0.674 121.192 120.500 0.030 0.000 2.096 257 R HA -0.115 4.088 4.340 -0.229 0.000 0.235 257 R C 2.196 178.523 176.300 0.045 0.000 1.127 257 R CA 1.331 57.454 56.100 0.039 0.000 0.968 257 R CB -0.100 30.201 30.300 0.002 0.000 0.861 257 R HN 0.118 nan 8.270 nan 0.000 0.440 258 A N 1.257 124.099 122.820 0.037 0.000 1.877 258 A HA -0.185 3.997 4.320 -0.229 0.000 0.216 258 A C 1.598 179.220 177.584 0.064 0.000 1.186 258 A CA 1.840 53.905 52.037 0.046 0.000 0.620 258 A CB -0.539 18.486 19.000 0.042 0.000 0.822 258 A HN 0.341 nan 8.150 nan 0.000 0.443 259 D N -0.288 120.155 120.400 0.072 0.000 2.103 259 D HA -0.182 4.321 4.640 -0.229 0.000 0.190 259 D C 1.790 178.163 176.300 0.122 0.000 0.997 259 D CA 1.521 55.576 54.000 0.091 0.000 0.833 259 D CB -0.640 40.213 40.800 0.089 0.000 0.961 259 D HN 0.308 nan 8.370 nan 0.000 0.447 260 L N 0.432 121.724 121.223 0.115 0.000 2.129 260 L HA -0.140 4.062 4.340 -0.229 0.000 0.212 260 L C 2.016 178.938 176.870 0.086 0.000 1.087 260 L CA 1.707 56.617 54.840 0.116 0.000 0.757 260 L CB -0.578 41.538 42.059 0.096 0.000 0.896 260 L HN 0.016 nan 8.230 nan 0.000 0.434 261 A N -1.136 121.730 122.820 0.078 0.000 1.897 261 A HA -0.183 4.000 4.320 -0.229 0.000 0.215 261 A C 2.393 180.019 177.584 0.069 0.000 1.181 261 A CA 1.583 53.656 52.037 0.060 0.000 0.620 261 A CB -0.430 18.602 19.000 0.053 0.000 0.821 261 A HN 0.423 nan 8.150 nan 0.000 0.443 262 K N -1.397 119.056 120.400 0.089 0.000 1.978 262 K HA -0.194 3.988 4.320 -0.229 0.000 0.214 262 K C 2.027 178.717 176.600 0.150 0.000 1.049 262 K CA 1.745 58.090 56.287 0.097 0.000 0.939 262 K CB -0.498 32.054 32.500 0.087 0.000 0.721 262 K HN 0.467 nan 8.250 nan 0.000 0.441 263 Y N 1.930 122.236 120.300 0.011 0.000 2.030 263 Y HA -0.291 4.123 4.550 -0.227 0.000 0.272 263 Y C 1.860 177.750 175.900 -0.016 0.000 1.185 263 Y CA 1.665 59.765 58.100 0.000 0.000 1.120 263 Y CB -0.882 37.582 38.460 0.006 0.000 0.955 263 Y HN 0.112 nan 8.280 nan 0.000 0.495 264 I N -0.805 119.745 120.570 -0.034 0.000 2.315 264 I HA -0.437 3.595 4.170 -0.229 0.000 0.251 264 I C 2.680 178.759 176.117 -0.064 0.000 1.125 264 I CA 1.523 62.713 61.300 -0.184 0.000 1.392 264 I CB -0.609 37.299 38.000 -0.154 0.000 1.065 264 I HN 0.316 nan 8.210 nan 0.000 0.424 265 c N 0.440 119.049 118.600 0.016 0.000 2.486 265 c HA -0.084 4.349 4.570 -0.229 0.000 0.279 265 c C 2.613 176.725 174.090 0.036 0.000 1.302 265 c CA 0.525 56.866 56.329 0.019 0.000 1.720 265 c CB -0.851 41.678 42.510 0.032 0.000 2.030 265 c HN 0.492 nan 8.230 nan 0.000 0.490 266 E N 1.228 121.476 120.200 0.080 0.000 2.031 266 E HA -0.184 4.029 4.350 -0.229 0.000 0.193 266 E C 0.947 177.589 176.600 0.069 0.000 0.994 266 E CA 1.367 57.811 56.400 0.073 0.000 0.800 266 E CB -0.354 29.397 29.700 0.084 0.000 0.752 266 E HN 0.681 nan 8.360 nan 0.000 0.447 267 N N 1.105 119.877 118.700 0.121 0.000 2.375 267 N HA -0.003 4.600 4.740 -0.229 0.000 0.220 267 N C 0.796 176.295 175.510 -0.018 0.000 1.170 267 N CA -0.059 53.042 53.050 0.085 0.000 0.833 267 N CB 0.215 38.836 38.487 0.224 0.000 1.069 267 N HN 0.171 nan 8.380 nan 0.000 0.479 268 Q N 1.242 121.018 119.800 -0.039 0.000 2.007 268 Q HA -0.309 3.894 4.340 -0.229 0.000 0.214 268 Q C 1.252 177.196 176.000 -0.094 0.000 1.031 268 Q CA 2.162 57.914 55.803 -0.086 0.000 0.886 268 Q CB -0.342 28.367 28.738 -0.049 0.000 0.992 268 Q HN 0.667 nan 8.270 nan 0.000 0.415 269 D N -0.142 120.229 120.400 -0.049 0.000 2.218 269 D HA -0.201 4.302 4.640 -0.229 0.000 0.194 269 D C 1.572 177.845 176.300 -0.045 0.000 1.007 269 D CA 1.890 55.867 54.000 -0.037 0.000 0.879 269 D CB -0.485 40.306 40.800 -0.016 0.000 0.918 269 D HN 0.134 nan 8.370 nan 0.000 0.449 270 S N -0.451 115.219 115.700 -0.049 0.000 2.562 270 S HA 0.168 4.501 4.470 -0.229 0.000 0.221 270 S C 1.985 176.525 174.600 -0.100 0.000 0.975 270 S CA -0.049 58.124 58.200 -0.044 0.000 0.918 270 S CB 0.268 63.461 63.200 -0.013 0.000 0.772 270 S HN 0.341 nan 8.310 nan 0.000 0.531 271 I N -0.891 119.564 120.570 -0.192 0.000 3.393 271 I HA 0.220 4.253 4.170 -0.229 0.000 0.250 271 I C 0.726 176.612 176.117 -0.385 0.000 1.122 271 I CA 0.199 61.267 61.300 -0.386 0.000 1.484 271 I CB 0.518 38.130 38.000 -0.648 0.000 1.468 271 I HN 0.116 nan 8.210 nan 0.000 0.461 272 S N -0.782 114.735 115.700 -0.304 0.000 2.547 272 S HA 0.234 4.566 4.470 -0.229 0.000 0.270 272 S C 0.254 174.820 174.600 -0.058 0.000 1.150 272 S CA -0.123 58.008 58.200 -0.116 0.000 0.850 272 S CB 1.462 64.654 63.200 -0.013 0.000 1.118 272 S HN 0.233 nan 8.310 nan 0.000 0.461 273 S N 2.050 117.748 115.700 -0.004 0.000 2.575 273 S HA 0.246 4.579 4.470 -0.229 0.000 0.215 273 S C 0.715 175.321 174.600 0.010 0.000 0.966 273 S CA -0.181 58.017 58.200 -0.003 0.000 0.911 273 S CB -0.197 63.003 63.200 0.001 0.000 0.780 273 S HN 0.636 nan 8.310 nan 0.000 0.514 274 K N 0.876 121.294 120.400 0.030 0.000 2.372 274 K HA 0.353 4.535 4.320 -0.229 0.000 0.200 274 K C 0.715 177.336 176.600 0.035 0.000 1.022 274 K CA -0.059 56.248 56.287 0.034 0.000 1.125 274 K CB 0.038 32.566 32.500 0.046 0.000 0.855 274 K HN 0.392 nan 8.250 nan 0.000 0.524 275 L N 1.072 122.308 121.223 0.022 0.000 2.599 275 L HA -0.049 4.154 4.340 -0.229 0.000 0.230 275 L C 2.580 179.453 176.870 0.006 0.000 1.141 275 L CA 0.300 55.148 54.840 0.013 0.000 0.877 275 L CB -0.683 41.359 42.059 -0.029 0.000 1.009 275 L HN 0.164 nan 8.230 nan 0.000 0.447 276 K N 0.691 121.095 120.400 0.006 0.000 1.969 276 K HA -0.212 3.971 4.320 -0.229 0.000 0.216 276 K C 2.244 178.852 176.600 0.014 0.000 1.048 276 K CA 1.949 58.241 56.287 0.008 0.000 0.948 276 K CB -1.437 31.067 32.500 0.007 0.000 0.726 276 K HN 0.388 nan 8.250 nan 0.000 0.442 277 E N 0.294 120.504 120.200 0.017 0.000 2.136 277 E HA -0.260 3.953 4.350 -0.229 0.000 0.202 277 E C 2.368 178.984 176.600 0.027 0.000 1.019 277 E CA 1.947 58.360 56.400 0.022 0.000 0.819 277 E CB -1.709 28.004 29.700 0.022 0.000 0.739 277 E HN 0.707 nan 8.360 nan 0.000 0.458 278 c N -0.389 118.226 118.600 0.024 0.000 2.413 278 c HA -0.138 4.294 4.570 -0.229 0.000 0.277 278 c C 2.839 176.946 174.090 0.029 0.000 1.228 278 c CA 0.980 57.325 56.329 0.026 0.000 1.731 278 c CB -1.032 41.490 42.510 0.021 0.000 2.042 278 c HN 0.825 nan 8.230 nan 0.000 0.468 279 c N 1.020 119.634 118.600 0.023 0.000 2.485 279 c HA 0.019 4.452 4.570 -0.229 0.000 0.283 279 c C 1.625 175.732 174.090 0.028 0.000 1.478 279 c CA 0.939 57.283 56.329 0.025 0.000 1.741 279 c CB -2.081 40.439 42.510 0.017 0.000 1.675 279 c HN 0.778 nan 8.230 nan 0.000 0.573 280 E N 0.222 120.439 120.200 0.029 0.000 2.698 280 E HA 0.541 4.754 4.350 -0.229 0.000 0.242 280 E C -0.191 176.431 176.600 0.037 0.000 1.243 280 E CA 0.495 56.913 56.400 0.030 0.000 1.483 280 E CB -0.350 29.365 29.700 0.025 0.000 1.495 280 E HN 0.753 nan 8.360 nan 0.000 0.440 281 K N 0.284 120.710 120.400 0.043 0.000 2.658 281 K HA 0.646 4.829 4.320 -0.229 0.000 0.293 281 K C -3.108 173.527 176.600 0.059 0.000 1.026 281 K CA -1.000 55.319 56.287 0.054 0.000 0.871 281 K CB -0.263 32.277 32.500 0.067 0.000 1.524 281 K HN 0.246 nan 8.250 nan 0.000 0.400 282 P HA 0.316 nan 4.420 nan 0.000 0.270 282 P C 1.690 179.038 177.300 0.080 0.000 1.227 282 P CA 0.509 63.651 63.100 0.069 0.000 0.788 282 P CB 0.208 31.952 31.700 0.073 0.000 0.926 283 L N 2.487 123.753 121.223 0.071 0.000 1.951 283 L HA -0.230 3.972 4.340 -0.229 0.000 0.222 283 L C 2.387 179.311 176.870 0.089 0.000 1.078 283 L CA 2.278 57.160 54.840 0.069 0.000 0.778 283 L CB -2.467 39.627 42.059 0.058 0.000 0.893 283 L HN 0.432 nan 8.230 nan 0.000 0.436 284 L N -1.155 120.142 121.223 0.124 0.000 2.081 284 L HA -0.284 3.918 4.340 -0.229 0.000 0.212 284 L C 2.775 179.797 176.870 0.253 0.000 1.080 284 L CA 2.065 57.025 54.840 0.200 0.000 0.754 284 L CB -0.787 41.436 42.059 0.274 0.000 0.893 284 L HN 0.619 nan 8.230 nan 0.000 0.433 285 E N -0.304 120.062 120.200 0.278 0.000 2.230 285 E HA -0.140 4.073 4.350 -0.229 0.000 0.192 285 E C 2.028 178.689 176.600 0.101 0.000 0.987 285 E CA 0.523 57.099 56.400 0.292 0.000 0.841 285 E CB 0.072 29.954 29.700 0.303 0.000 0.783 285 E HN 0.303 nan 8.360 nan 0.000 0.481 286 K N 0.327 120.774 120.400 0.078 0.000 1.984 286 K HA -0.080 4.103 4.320 -0.229 0.000 0.209 286 K C 2.153 178.761 176.600 0.012 0.000 1.046 286 K CA 1.571 57.884 56.287 0.044 0.000 0.934 286 K CB -0.134 32.395 32.500 0.048 0.000 0.717 286 K HN -0.046 nan 8.250 nan 0.000 0.438 287 S N -0.095 115.612 115.700 0.011 0.000 2.368 287 S HA -0.252 4.080 4.470 -0.229 0.000 0.226 287 S C 1.843 176.417 174.600 -0.045 0.000 1.044 287 S CA 1.905 60.105 58.200 0.000 0.000 1.062 287 S CB -0.648 62.554 63.200 0.004 0.000 0.931 287 S HN 0.527 nan 8.310 nan 0.000 0.440 288 H N 0.068 118.976 119.070 -0.270 0.000 2.352 288 H HA -0.094 4.320 4.556 -0.237 0.000 0.299 288 H C 2.457 177.644 175.328 -0.235 0.000 1.097 288 H CA 1.772 57.569 56.048 -0.419 0.000 1.311 288 H CB -0.823 28.239 29.762 -1.167 0.000 1.377 288 H HN 0.450 nan 8.280 nan 0.000 0.504 289 c N -0.062 118.418 118.600 -0.200 0.000 2.432 289 c HA -0.102 4.331 4.570 -0.229 0.000 0.277 289 c C 2.769 176.794 174.090 -0.108 0.000 1.249 289 c CA 1.139 57.384 56.329 -0.139 0.000 1.725 289 c CB -1.381 41.118 42.510 -0.018 0.000 2.028 289 c HN 0.692 nan 8.230 nan 0.000 0.477 290 I N 1.584 122.123 120.570 -0.052 0.000 2.179 290 I HA -0.151 3.881 4.170 -0.229 0.000 0.242 290 I C 2.863 178.984 176.117 0.007 0.000 1.088 290 I CA 1.750 63.059 61.300 0.014 0.000 1.357 290 I CB -0.736 37.291 38.000 0.045 0.000 1.051 290 I HN 0.385 nan 8.210 nan 0.000 0.409 291 A N -0.050 122.751 122.820 -0.031 0.000 2.125 291 A HA -0.135 4.047 4.320 -0.229 0.000 0.219 291 A C 1.829 179.363 177.584 -0.084 0.000 1.156 291 A CA 1.445 53.471 52.037 -0.019 0.000 0.671 291 A CB -0.242 18.779 19.000 0.035 0.000 0.794 291 A HN 0.397 nan 8.150 nan 0.000 0.459 292 E N -0.727 119.377 120.200 -0.160 0.000 2.603 292 E HA 0.171 4.384 4.350 -0.229 0.000 0.211 292 E C 0.155 176.692 176.600 -0.104 0.000 0.995 292 E CA -0.240 56.067 56.400 -0.156 0.000 0.990 292 E CB 0.054 29.593 29.700 -0.268 0.000 1.036 292 E HN 0.282 nan 8.360 nan 0.000 0.475 293 V N 2.596 122.467 119.914 -0.072 0.000 2.999 293 V HA -0.053 3.930 4.120 -0.229 0.000 0.307 293 V C 0.465 176.530 176.094 -0.049 0.000 1.084 293 V CA -0.018 62.264 62.300 -0.030 0.000 1.155 293 V CB 0.697 32.544 31.823 0.041 0.000 0.975 293 V HN 0.253 nan 8.190 nan 0.000 0.490 294 E N 4.754 124.937 120.200 -0.028 0.000 2.345 294 E HA 0.284 4.496 4.350 -0.229 0.000 0.259 294 E C -0.496 176.075 176.600 -0.047 0.000 1.117 294 E CA -0.871 55.505 56.400 -0.040 0.000 0.913 294 E CB 0.315 30.001 29.700 -0.024 0.000 1.057 294 E HN 0.685 nan 8.360 nan 0.000 0.432 295 N N 2.080 120.737 118.700 -0.070 0.000 2.454 295 N HA -0.031 4.571 4.740 -0.229 0.000 0.260 295 N C -0.444 175.051 175.510 -0.025 0.000 1.218 295 N CA 0.195 53.197 53.050 -0.079 0.000 0.904 295 N CB 0.364 38.795 38.487 -0.093 0.000 1.065 295 N HN 0.543 nan 8.380 nan 0.000 0.462 296 D N 1.119 121.530 120.400 0.017 0.000 2.360 296 D HA 0.025 4.528 4.640 -0.229 0.000 0.242 296 D C -0.251 176.047 176.300 -0.003 0.000 1.184 296 D CA -0.006 54.017 54.000 0.038 0.000 0.930 296 D CB 0.738 41.597 40.800 0.098 0.000 1.161 296 D HN 0.288 nan 8.370 nan 0.000 0.447 297 E N 0.545 120.741 120.200 -0.007 0.000 2.413 297 E HA 0.044 4.256 4.350 -0.229 0.000 0.263 297 E C -0.021 176.557 176.600 -0.037 0.000 1.015 297 E CA 0.163 56.547 56.400 -0.026 0.000 0.916 297 E CB 0.466 30.152 29.700 -0.023 0.000 0.947 297 E HN 0.338 nan 8.360 nan 0.000 0.440 298 M N 4.359 123.923 119.600 -0.061 0.000 2.227 298 M HA 0.163 4.506 4.480 -0.229 0.000 0.349 298 M C -2.088 174.171 176.300 -0.069 0.000 1.443 298 M CA -1.544 53.707 55.300 -0.082 0.000 1.110 298 M CB 0.499 33.029 32.600 -0.117 0.000 1.773 298 M HN 0.246 nan 8.290 nan 0.000 0.463 299 P HA -0.038 nan 4.420 nan 0.000 0.263 299 P C -0.228 177.039 177.300 -0.055 0.000 1.175 299 P CA 0.075 63.147 63.100 -0.047 0.000 0.761 299 P CB 0.573 32.249 31.700 -0.040 0.000 0.794 300 A N 3.974 126.769 122.820 -0.041 0.000 1.844 300 A HA -0.145 4.038 4.320 -0.229 0.000 0.214 300 A C 0.702 178.259 177.584 -0.045 0.000 1.217 300 A CA 1.450 53.462 52.037 -0.042 0.000 0.644 300 A CB -0.959 18.023 19.000 -0.030 0.000 0.850 300 A HN 0.582 nan 8.150 nan 0.000 0.456 301 D N 0.601 120.980 120.400 -0.034 0.000 2.483 301 D HA 0.436 4.938 4.640 -0.229 0.000 0.220 301 D C -0.354 175.925 176.300 -0.035 0.000 1.173 301 D CA 0.437 54.417 54.000 -0.033 0.000 0.964 301 D CB 0.257 41.044 40.800 -0.022 0.000 1.046 301 D HN 0.382 nan 8.370 nan 0.000 0.517 302 L N 2.159 123.352 121.223 -0.050 0.000 2.296 302 L HA 0.536 4.739 4.340 -0.229 0.000 0.286 302 L C -1.600 175.241 176.870 -0.047 0.000 1.023 302 L CA -1.545 53.263 54.840 -0.053 0.000 0.812 302 L CB -0.186 41.821 42.059 -0.086 0.000 1.223 302 L HN 0.126 nan 8.230 nan 0.000 0.421 303 P HA 0.236 nan 4.420 nan 0.000 0.276 303 P C 0.129 177.417 177.300 -0.020 0.000 1.264 303 P CA -0.261 62.827 63.100 -0.021 0.000 0.815 303 P CB 0.412 32.103 31.700 -0.014 0.000 1.121 304 S N -1.269 114.431 115.700 -0.000 0.000 2.541 304 S HA 0.253 4.586 4.470 -0.229 0.000 0.283 304 S C 1.340 175.979 174.600 0.066 0.000 1.196 304 S CA -0.725 57.489 58.200 0.023 0.000 1.062 304 S CB -0.038 63.183 63.200 0.035 0.000 1.009 304 S HN 0.346 nan 8.310 nan 0.000 0.502 305 L N 3.969 125.264 121.223 0.121 0.000 2.042 305 L HA -0.102 4.101 4.340 -0.229 0.000 0.210 305 L C 2.860 179.932 176.870 0.337 0.000 1.076 305 L CA 1.628 56.639 54.840 0.284 0.000 0.749 305 L CB -0.801 41.436 42.059 0.297 0.000 0.893 305 L HN 0.880 nan 8.230 nan 0.000 0.432 306 A N 0.150 123.111 122.820 0.235 0.000 1.997 306 A HA -0.311 3.871 4.320 -0.229 0.000 0.221 306 A C 2.524 180.135 177.584 0.046 0.000 1.172 306 A CA 2.037 54.086 52.037 0.019 0.000 0.645 306 A CB -0.791 18.137 19.000 -0.120 0.000 0.813 306 A HN 0.463 nan 8.150 nan 0.000 0.454 307 A N 0.238 123.084 122.820 0.042 0.000 1.852 307 A HA -0.248 3.934 4.320 -0.229 0.000 0.217 307 A C 1.644 179.218 177.584 -0.018 0.000 1.215 307 A CA 2.132 54.175 52.037 0.010 0.000 0.641 307 A CB -0.765 18.230 19.000 -0.008 0.000 0.838 307 A HN 0.483 nan 8.150 nan 0.000 0.450 308 D N -2.037 118.284 120.400 -0.131 0.000 2.349 308 D HA 0.147 4.649 4.640 -0.229 0.000 0.215 308 D C 0.662 176.776 176.300 -0.310 0.000 1.016 308 D CA 0.490 54.318 54.000 -0.287 0.000 0.870 308 D CB -0.003 40.474 40.800 -0.538 0.000 0.917 308 D HN 0.461 nan 8.370 nan 0.000 0.524 309 F N -0.641 119.417 119.950 0.180 0.000 2.728 309 F HA 0.158 4.549 4.527 -0.227 0.000 0.314 309 F C 1.728 177.631 175.800 0.171 0.000 1.094 309 F CA -0.232 57.900 58.000 0.220 0.000 1.217 309 F CB 0.578 39.693 39.000 0.191 0.000 1.056 309 F HN -0.078 nan 8.300 nan 0.000 0.577 310 V N -3.851 116.201 119.914 0.229 0.000 3.193 310 V HA 0.235 4.217 4.120 -0.229 0.000 0.237 310 V C 1.470 177.692 176.094 0.214 0.000 1.447 310 V CA 0.302 62.697 62.300 0.158 0.000 1.227 310 V CB 0.093 31.821 31.823 -0.157 0.000 1.040 310 V HN 0.043 nan 8.190 nan 0.000 0.458 311 E N 1.943 122.228 120.200 0.142 0.000 2.033 311 E HA 0.053 4.265 4.350 -0.229 0.000 0.189 311 E C 1.359 178.143 176.600 0.308 0.000 0.979 311 E CA 1.044 57.572 56.400 0.214 0.000 0.802 311 E CB -0.163 29.602 29.700 0.108 0.000 0.763 311 E HN 0.596 nan 8.360 nan 0.000 0.449 312 S N 0.244 116.060 115.700 0.194 0.000 2.536 312 S HA -0.076 4.256 4.470 -0.229 0.000 0.290 312 S C 0.836 175.594 174.600 0.264 0.000 1.302 312 S CA 1.039 59.338 58.200 0.164 0.000 1.037 312 S CB 0.833 64.094 63.200 0.102 0.000 0.804 312 S HN 0.299 nan 8.310 nan 0.000 0.506 313 K N 1.680 122.186 120.400 0.177 0.000 2.358 313 K HA 0.187 4.369 4.320 -0.229 0.000 0.197 313 K C 1.019 177.708 176.600 0.149 0.000 1.025 313 K CA 0.656 57.063 56.287 0.200 0.000 1.104 313 K CB -0.180 32.359 32.500 0.066 0.000 0.855 313 K HN 0.775 nan 8.250 nan 0.000 0.531 314 D N 0.388 120.845 120.400 0.096 0.000 2.354 314 D HA -0.001 4.502 4.640 -0.229 0.000 0.209 314 D C 1.979 178.266 176.300 -0.021 0.000 1.015 314 D CA 1.098 55.118 54.000 0.033 0.000 0.867 314 D CB 0.273 41.077 40.800 0.006 0.000 0.933 314 D HN 0.204 nan 8.370 nan 0.000 0.520 315 V N 0.901 120.816 119.914 0.002 0.000 2.238 315 V HA -0.437 3.546 4.120 -0.229 0.000 0.253 315 V C 2.566 178.539 176.094 -0.203 0.000 1.050 315 V CA 1.949 64.180 62.300 -0.115 0.000 1.045 315 V CB -1.827 29.863 31.823 -0.222 0.000 0.670 315 V HN 0.239 nan 8.190 nan 0.000 0.469 316 c N -0.320 118.225 118.600 -0.092 0.000 2.396 316 c HA -0.223 4.210 4.570 -0.229 0.000 0.277 316 c C 3.132 177.215 174.090 -0.012 0.000 1.231 316 c CA 1.842 58.173 56.329 0.004 0.000 1.775 316 c CB -1.276 41.284 42.510 0.084 0.000 2.036 316 c HN 0.726 nan 8.230 nan 0.000 0.484 317 K N 0.864 121.235 120.400 -0.049 0.000 2.002 317 K HA -0.119 4.064 4.320 -0.229 0.000 0.209 317 K C 1.648 178.168 176.600 -0.132 0.000 1.048 317 K CA 2.106 58.354 56.287 -0.063 0.000 0.930 317 K CB -0.797 31.677 32.500 -0.043 0.000 0.714 317 K HN 0.683 nan 8.250 nan 0.000 0.438 318 N N -0.407 118.143 118.700 -0.251 0.000 2.166 318 N HA -0.095 4.507 4.740 -0.229 0.000 0.186 318 N C 1.462 176.710 175.510 -0.438 0.000 1.019 318 N CA 1.671 54.485 53.050 -0.393 0.000 0.856 318 N CB -0.528 37.554 38.487 -0.675 0.000 0.993 318 N HN 0.508 nan 8.380 nan 0.000 0.426 319 Y N 1.138 121.056 120.300 -0.637 0.000 2.200 319 Y HA -0.017 4.395 4.550 -0.230 0.000 0.290 319 Y C 2.153 177.977 175.900 -0.125 0.000 1.137 319 Y CA 1.299 59.200 58.100 -0.332 0.000 1.163 319 Y CB -0.660 37.669 38.460 -0.218 0.000 0.988 319 Y HN 0.068 nan 8.280 nan 0.000 0.518 320 A N 0.236 122.943 122.820 -0.188 0.000 1.968 320 A HA -0.057 4.125 4.320 -0.229 0.000 0.217 320 A C 2.181 179.671 177.584 -0.157 0.000 1.169 320 A CA 1.932 53.834 52.037 -0.225 0.000 0.638 320 A CB -1.278 17.656 19.000 -0.110 0.000 0.812 320 A HN 0.562 nan 8.150 nan 0.000 0.446 321 E N -0.569 119.565 120.200 -0.110 0.000 2.047 321 E HA 0.309 4.522 4.350 -0.229 0.000 0.191 321 E C 1.073 177.653 176.600 -0.034 0.000 0.987 321 E CA 1.491 57.855 56.400 -0.060 0.000 0.799 321 E CB -0.496 29.178 29.700 -0.043 0.000 0.752 321 E HN 1.532 nan 8.360 nan 0.000 0.449 322 A N -0.581 122.231 122.820 -0.013 0.000 3.277 322 A HA 0.478 4.661 4.320 -0.229 0.000 0.281 322 A C 1.055 178.712 177.584 0.121 0.000 1.179 322 A CA 0.610 52.677 52.037 0.051 0.000 0.879 322 A CB 0.508 19.568 19.000 0.101 0.000 1.374 322 A HN 0.242 nan 8.150 nan 0.000 0.590 323 K N 0.389 120.797 120.400 0.013 0.000 2.189 323 K HA -0.225 3.958 4.320 -0.229 0.000 0.207 323 K C 1.243 178.003 176.600 0.266 0.000 1.046 323 K CA 2.697 59.036 56.287 0.087 0.000 0.928 323 K CB -0.542 31.826 32.500 -0.219 0.000 0.720 323 K HN 0.757 nan 8.250 nan 0.000 0.458 324 D N -0.273 120.239 120.400 0.186 0.000 2.085 324 D HA -0.058 4.445 4.640 -0.229 0.000 0.199 324 D C 2.112 178.566 176.300 0.258 0.000 0.981 324 D CA 2.008 56.129 54.000 0.202 0.000 0.834 324 D CB -0.544 40.345 40.800 0.149 0.000 0.992 324 D HN 0.360 nan 8.370 nan 0.000 0.457 325 V N 0.833 120.907 119.914 0.267 0.000 2.392 325 V HA -0.219 3.764 4.120 -0.229 0.000 0.249 325 V C 2.270 178.547 176.094 0.304 0.000 1.059 325 V CA 1.204 63.697 62.300 0.322 0.000 1.051 325 V CB -0.813 31.188 31.823 0.297 0.000 0.658 325 V HN -0.009 nan 8.190 nan 0.000 0.455 326 F N 0.768 120.831 119.950 0.189 0.000 2.084 326 F HA -0.060 4.330 4.527 -0.228 0.000 0.296 326 F C 2.104 178.058 175.800 0.256 0.000 1.111 326 F CA 1.497 59.635 58.000 0.230 0.000 1.224 326 F CB -0.362 38.812 39.000 0.290 0.000 0.991 326 F HN -0.010 nan 8.300 nan 0.000 0.471 327 L N -0.472 120.909 121.223 0.262 0.000 2.083 327 L HA -0.140 4.063 4.340 -0.229 0.000 0.209 327 L C 2.716 179.663 176.870 0.128 0.000 1.083 327 L CA 1.217 56.157 54.840 0.167 0.000 0.752 327 L CB -1.572 40.633 42.059 0.243 0.000 0.899 327 L HN 0.337 nan 8.230 nan 0.000 0.433 328 G N -0.081 108.817 108.800 0.163 0.000 2.459 328 G HA2 -0.287 3.535 3.960 -0.229 0.000 0.217 328 G HA3 -0.287 3.535 3.960 -0.229 0.000 0.217 328 G C 1.620 176.543 174.900 0.039 0.000 1.183 328 G CA 0.721 45.946 45.100 0.208 0.000 0.776 328 G HN 0.181 nan 8.290 nan 0.000 0.552 329 M N -0.475 118.936 119.600 -0.315 0.000 2.149 329 M HA -0.020 4.323 4.480 -0.229 0.000 0.261 329 M C 2.328 178.517 176.300 -0.185 0.000 1.064 329 M CA 1.313 56.235 55.300 -0.630 0.000 1.102 329 M CB -0.405 31.836 32.600 -0.598 0.000 1.369 329 M HN 0.296 nan 8.290 nan 0.000 0.408 330 F N 1.184 120.862 119.950 -0.453 0.000 2.095 330 F HA -0.249 4.140 4.527 -0.229 0.000 0.298 330 F C 1.963 177.534 175.800 -0.382 0.000 1.104 330 F CA 1.476 58.975 58.000 -0.834 0.000 1.232 330 F CB -0.490 37.872 39.000 -1.064 0.000 0.987 330 F HN -0.011 nan 8.300 nan 0.000 0.475 331 L N 0.144 121.197 121.223 -0.283 0.000 1.989 331 L HA -0.224 3.979 4.340 -0.229 0.000 0.211 331 L C 2.345 179.102 176.870 -0.188 0.000 1.071 331 L CA 2.352 57.026 54.840 -0.276 0.000 0.749 331 L CB -1.712 40.313 42.059 -0.057 0.000 0.890 331 L HN 0.448 nan 8.230 nan 0.000 0.431 332 Y N 0.312 120.526 120.300 -0.143 0.000 2.081 332 Y HA -0.301 4.111 4.550 -0.231 0.000 0.280 332 Y C 2.443 178.282 175.900 -0.102 0.000 1.163 332 Y CA 2.292 60.366 58.100 -0.043 0.000 1.135 332 Y CB -0.305 38.244 38.460 0.148 0.000 0.970 332 Y HN 0.284 nan 8.280 nan 0.000 0.498 333 E N -0.441 119.684 120.200 -0.124 0.000 2.058 333 E HA -0.257 3.955 4.350 -0.229 0.000 0.194 333 E C 2.111 178.532 176.600 -0.299 0.000 0.997 333 E CA 1.731 58.001 56.400 -0.217 0.000 0.801 333 E CB -0.919 28.810 29.700 0.049 0.000 0.746 333 E HN 0.661 nan 8.360 nan 0.000 0.450 334 Y N 0.590 120.579 120.300 -0.519 0.000 2.263 334 Y HA -0.055 4.358 4.550 -0.228 0.000 0.292 334 Y C 2.185 177.887 175.900 -0.331 0.000 1.130 334 Y CA 1.026 58.834 58.100 -0.486 0.000 1.179 334 Y CB -0.372 37.573 38.460 -0.858 0.000 0.998 334 Y HN 0.021 nan 8.280 nan 0.000 0.532 335 A N 1.047 123.786 122.820 -0.135 0.000 1.855 335 A HA -0.182 4.001 4.320 -0.229 0.000 0.215 335 A C 2.322 179.793 177.584 -0.188 0.000 1.191 335 A CA 1.718 53.668 52.037 -0.144 0.000 0.613 335 A CB -0.803 18.087 19.000 -0.182 0.000 0.829 335 A HN 0.541 nan 8.150 nan 0.000 0.442 336 R N 0.572 120.897 120.500 -0.291 0.000 2.154 336 R HA -0.211 3.992 4.340 -0.229 0.000 0.248 336 R C 1.602 177.737 176.300 -0.274 0.000 1.155 336 R CA 1.927 57.837 56.100 -0.317 0.000 0.979 336 R CB -0.505 29.499 30.300 -0.492 0.000 0.869 336 R HN 0.638 nan 8.270 nan 0.000 0.452 337 R N -0.627 119.692 120.500 -0.302 0.000 2.507 337 R HA 0.164 4.367 4.340 -0.229 0.000 0.298 337 R C -0.277 175.655 176.300 -0.613 0.000 0.999 337 R CA -0.184 55.678 56.100 -0.396 0.000 1.082 337 R CB 0.255 30.302 30.300 -0.421 0.000 1.246 337 R HN 0.291 nan 8.270 nan 0.000 0.553 338 H N 1.426 120.305 119.070 -0.318 0.000 2.616 338 H HA 0.204 4.622 4.556 -0.230 0.000 0.229 338 H C -2.079 173.097 175.328 -0.252 0.000 1.418 338 H CA -1.548 54.254 56.048 -0.411 0.000 1.248 338 H CB 1.718 31.061 29.762 -0.698 0.000 1.822 338 H HN 0.164 nan 8.280 nan 0.000 0.522 339 P HA -0.058 nan 4.420 nan 0.000 0.242 339 P C 0.705 178.010 177.300 0.007 0.000 1.197 339 P CA 0.653 63.716 63.100 -0.063 0.000 0.765 339 P CB 0.301 31.948 31.700 -0.088 0.000 0.936 340 D N -2.332 118.107 120.400 0.065 0.000 2.350 340 D HA -0.067 4.436 4.640 -0.229 0.000 0.213 340 D C 0.166 176.662 176.300 0.327 0.000 1.031 340 D CA 0.062 54.161 54.000 0.165 0.000 0.861 340 D CB -0.554 40.354 40.800 0.179 0.000 0.926 340 D HN 0.082 nan 8.370 nan 0.000 0.520 341 Y N 1.966 122.264 120.300 -0.003 0.000 2.334 341 Y HA 0.337 4.748 4.550 -0.231 0.000 0.328 341 Y C 0.961 176.808 175.900 -0.090 0.000 1.130 341 Y CA -2.344 55.715 58.100 -0.068 0.000 1.163 341 Y CB 1.450 39.835 38.460 -0.125 0.000 1.207 341 Y HN -0.134 nan 8.280 nan 0.000 0.471 342 S N 0.740 116.443 115.700 0.006 0.000 2.548 342 S HA 0.193 4.526 4.470 -0.229 0.000 0.277 342 S C 1.012 175.584 174.600 -0.048 0.000 1.315 342 S CA -0.729 57.453 58.200 -0.030 0.000 1.050 342 S CB 0.963 64.129 63.200 -0.058 0.000 0.918 342 S HN 0.460 nan 8.310 nan 0.000 0.497 343 V N 3.254 123.143 119.914 -0.043 0.000 2.277 343 V HA -0.262 3.721 4.120 -0.229 0.000 0.253 343 V C 2.643 178.703 176.094 -0.056 0.000 1.067 343 V CA 2.321 64.579 62.300 -0.070 0.000 1.047 343 V CB -1.549 30.253 31.823 -0.035 0.000 0.649 343 V HN 0.974 nan 8.190 nan 0.000 0.447 344 V N -1.496 118.399 119.914 -0.032 0.000 2.626 344 V HA -0.161 3.821 4.120 -0.229 0.000 0.252 344 V C 2.297 178.317 176.094 -0.124 0.000 1.067 344 V CA 2.032 64.293 62.300 -0.066 0.000 1.081 344 V CB -0.799 30.984 31.823 -0.066 0.000 0.686 344 V HN 0.462 nan 8.190 nan 0.000 0.468 345 L N -0.077 121.056 121.223 -0.150 0.000 2.072 345 L HA 0.060 4.262 4.340 -0.229 0.000 0.205 345 L C 2.279 178.986 176.870 -0.272 0.000 1.079 345 L CA 1.748 56.452 54.840 -0.228 0.000 0.752 345 L CB -0.597 41.283 42.059 -0.298 0.000 0.906 345 L HN 0.266 nan 8.230 nan 0.000 0.436 346 L N -1.100 119.989 121.223 -0.223 0.000 2.046 346 L HA -0.245 3.958 4.340 -0.229 0.000 0.208 346 L C 2.522 179.219 176.870 -0.288 0.000 1.077 346 L CA 1.295 55.959 54.840 -0.294 0.000 0.747 346 L CB -0.541 41.384 42.059 -0.224 0.000 0.896 346 L HN 0.308 nan 8.230 nan 0.000 0.432 347 L N -0.878 120.229 121.223 -0.193 0.000 2.141 347 L HA -0.194 4.009 4.340 -0.229 0.000 0.209 347 L C 2.814 179.594 176.870 -0.151 0.000 1.094 347 L CA 1.149 55.904 54.840 -0.141 0.000 0.763 347 L CB -0.510 41.492 42.059 -0.094 0.000 0.908 347 L HN 0.272 nan 8.230 nan 0.000 0.437 348 R N 0.028 120.416 120.500 -0.186 0.000 2.073 348 R HA -0.138 4.065 4.340 -0.229 0.000 0.234 348 R C 2.321 178.486 176.300 -0.226 0.000 1.134 348 R CA 1.182 57.176 56.100 -0.178 0.000 0.952 348 R CB -0.373 29.816 30.300 -0.184 0.000 0.850 348 R HN 0.303 nan 8.270 nan 0.000 0.433 349 L N 0.192 121.180 121.223 -0.391 0.000 1.989 349 L HA -0.214 3.988 4.340 -0.229 0.000 0.211 349 L C 2.748 179.432 176.870 -0.310 0.000 1.071 349 L CA 1.479 55.924 54.840 -0.658 0.000 0.749 349 L CB -0.772 40.606 42.059 -1.135 0.000 0.890 349 L HN 0.259 nan 8.230 nan 0.000 0.431 350 A N 0.055 122.782 122.820 -0.156 0.000 1.958 350 A HA -0.306 3.877 4.320 -0.229 0.000 0.221 350 A C 2.301 179.915 177.584 0.050 0.000 1.178 350 A CA 2.369 54.457 52.037 0.084 0.000 0.642 350 A CB -0.487 18.546 19.000 0.054 0.000 0.816 350 A HN 0.273 nan 8.150 nan 0.000 0.453 351 K N -0.540 119.852 120.400 -0.014 0.000 2.103 351 K HA -0.047 4.136 4.320 -0.229 0.000 0.204 351 K C 1.912 178.523 176.600 0.020 0.000 1.052 351 K CA 2.006 58.294 56.287 0.001 0.000 0.945 351 K CB -0.653 31.831 32.500 -0.027 0.000 0.722 351 K HN 0.464 nan 8.250 nan 0.000 0.443 352 T N -0.182 114.393 114.554 0.034 0.000 2.821 352 T HA -0.124 4.089 4.350 -0.229 0.000 0.267 352 T C 1.401 176.199 174.700 0.164 0.000 1.046 352 T CA 1.253 63.419 62.100 0.110 0.000 1.139 352 T CB -0.523 68.460 68.868 0.192 0.000 0.871 352 T HN 0.237 nan 8.240 nan 0.000 0.454 353 Y N 2.137 122.455 120.300 0.030 0.000 2.114 353 Y HA -0.129 4.283 4.550 -0.230 0.000 0.284 353 Y C 2.545 178.331 175.900 -0.190 0.000 1.143 353 Y CA 1.633 59.669 58.100 -0.107 0.000 1.135 353 Y CB -0.460 37.743 38.460 -0.428 0.000 0.980 353 Y HN 0.294 nan 8.280 nan 0.000 0.499 354 E N -0.845 119.268 120.200 -0.146 0.000 2.049 354 E HA -0.238 3.975 4.350 -0.229 0.000 0.198 354 E C 1.939 178.442 176.600 -0.162 0.000 1.007 354 E CA 2.358 58.638 56.400 -0.200 0.000 0.809 354 E CB -0.299 29.398 29.700 -0.006 0.000 0.749 354 E HN 0.489 nan 8.360 nan 0.000 0.450 355 T N 0.065 114.580 114.554 -0.066 0.000 2.803 355 T HA -0.139 4.074 4.350 -0.229 0.000 0.269 355 T C 1.827 176.487 174.700 -0.066 0.000 1.052 355 T CA 1.673 63.753 62.100 -0.035 0.000 1.136 355 T CB -0.428 68.438 68.868 -0.002 0.000 0.864 355 T HN 0.272 nan 8.240 nan 0.000 0.467 356 T N 2.398 116.887 114.554 -0.108 0.000 2.701 356 T HA 0.092 4.304 4.350 -0.229 0.000 0.263 356 T C 2.015 176.605 174.700 -0.183 0.000 1.040 356 T CA 0.753 62.788 62.100 -0.109 0.000 1.147 356 T CB -0.438 68.380 68.868 -0.084 0.000 0.865 356 T HN 0.240 nan 8.240 nan 0.000 0.426 357 L N 0.754 121.729 121.223 -0.415 0.000 2.012 357 L HA -0.163 4.039 4.340 -0.229 0.000 0.210 357 L C 2.818 179.572 176.870 -0.194 0.000 1.073 357 L CA 1.570 56.116 54.840 -0.490 0.000 0.748 357 L CB -0.619 40.775 42.059 -1.109 0.000 0.891 357 L HN 0.272 nan 8.230 nan 0.000 0.431 358 E N 0.960 121.095 120.200 -0.110 0.000 2.070 358 E HA -0.268 3.945 4.350 -0.229 0.000 0.197 358 E C 2.106 178.735 176.600 0.048 0.000 1.004 358 E CA 2.087 58.533 56.400 0.078 0.000 0.805 358 E CB -0.040 29.709 29.700 0.081 0.000 0.744 358 E HN 0.500 nan 8.360 nan 0.000 0.451 359 K N -0.783 119.624 120.400 0.011 0.000 2.067 359 K HA -0.019 4.163 4.320 -0.229 0.000 0.203 359 K C 2.373 178.988 176.600 0.025 0.000 1.048 359 K CA 1.204 57.502 56.287 0.018 0.000 0.954 359 K CB -0.784 31.721 32.500 0.009 0.000 0.737 359 K HN 0.175 nan 8.250 nan 0.000 0.444 360 c N 1.638 120.252 118.600 0.023 0.000 2.413 360 c HA -0.098 4.335 4.570 -0.229 0.000 0.276 360 c C 2.760 176.902 174.090 0.087 0.000 1.248 360 c CA 0.644 57.008 56.329 0.058 0.000 1.742 360 c CB -1.036 41.543 42.510 0.116 0.000 2.017 360 c HN 0.658 nan 8.230 nan 0.000 0.481 361 c N 0.999 119.651 118.600 0.088 0.000 2.485 361 c HA 0.129 4.561 4.570 -0.229 0.000 0.283 361 c C 2.465 176.603 174.090 0.079 0.000 1.478 361 c CA 0.915 57.308 56.329 0.107 0.000 1.741 361 c CB -2.002 40.589 42.510 0.136 0.000 1.675 361 c HN 0.719 nan 8.230 nan 0.000 0.573 362 A N -0.377 122.479 122.820 0.060 0.000 2.390 362 A HA 0.642 4.824 4.320 -0.229 0.000 0.232 362 A C 1.206 178.808 177.584 0.031 0.000 1.233 362 A CA 0.650 52.712 52.037 0.042 0.000 0.907 362 A CB -0.112 18.910 19.000 0.036 0.000 0.967 362 A HN 0.459 nan 8.150 nan 0.000 0.512 363 A N -0.696 122.143 122.820 0.032 0.000 2.250 363 A HA 0.679 4.862 4.320 -0.229 0.000 0.283 363 A C 1.668 179.262 177.584 0.017 0.000 1.206 363 A CA 0.303 52.350 52.037 0.018 0.000 0.840 363 A CB -0.236 18.770 19.000 0.009 0.000 1.220 363 A HN 0.954 nan 8.150 nan 0.000 0.505 364 A N -0.846 121.978 122.820 0.007 0.000 1.840 364 A HA 0.087 4.270 4.320 -0.229 0.000 0.214 364 A C 0.822 178.410 177.584 0.006 0.000 1.198 364 A CA 2.061 54.101 52.037 0.005 0.000 0.608 364 A CB -0.407 18.592 19.000 -0.001 0.000 0.839 364 A HN 0.764 nan 8.150 nan 0.000 0.443 365 D N -1.653 118.745 120.400 -0.004 0.000 2.458 365 D HA 0.430 4.933 4.640 -0.229 0.000 0.258 365 D C -2.048 174.234 176.300 -0.031 0.000 1.134 365 D CA -2.112 51.883 54.000 -0.008 0.000 0.915 365 D CB 1.175 41.964 40.800 -0.017 0.000 1.028 365 D HN -0.056 nan 8.370 nan 0.000 0.508 366 P HA -0.223 nan 4.420 nan 0.000 0.213 366 P C 1.047 178.126 177.300 -0.367 0.000 1.176 366 P CA 1.361 64.462 63.100 0.002 0.000 0.919 366 P CB 0.036 31.852 31.700 0.194 0.000 0.791 367 H N -0.323 118.451 119.070 -0.493 0.000 2.330 367 H HA -0.244 4.174 4.556 -0.229 0.000 0.290 367 H C 2.027 176.907 175.328 -0.747 0.000 1.111 367 H CA 2.494 58.022 56.048 -0.868 0.000 1.226 367 H CB -0.390 29.181 29.762 -0.318 0.000 1.355 367 H HN 0.212 nan 8.280 nan 0.000 0.485 368 E N -0.914 119.096 120.200 -0.318 0.000 2.106 368 E HA -0.184 4.029 4.350 -0.229 0.000 0.192 368 E C 2.437 178.876 176.600 -0.267 0.000 0.984 368 E CA 1.040 57.305 56.400 -0.225 0.000 0.806 368 E CB -0.389 29.258 29.700 -0.087 0.000 0.750 368 E HN 0.572 nan 8.360 nan 0.000 0.458 369 c N 0.870 119.315 118.600 -0.258 0.000 2.453 369 c HA -0.121 4.311 4.570 -0.229 0.000 0.277 369 c C 2.416 176.425 174.090 -0.135 0.000 1.262 369 c CA 0.983 57.222 56.329 -0.149 0.000 1.718 369 c CB -1.176 41.291 42.510 -0.072 0.000 2.031 369 c HN 0.699 nan 8.230 nan 0.000 0.480 370 Y N 0.843 121.067 120.300 -0.127 0.000 2.495 370 Y HA 0.610 5.023 4.550 -0.229 0.000 0.293 370 Y C 1.590 177.375 175.900 -0.192 0.000 1.186 370 Y CA -0.120 57.893 58.100 -0.144 0.000 1.266 370 Y CB -1.392 36.979 38.460 -0.149 0.000 1.101 370 Y HN 0.213 nan 8.280 nan 0.000 0.517 371 A N 1.033 123.670 122.820 -0.306 0.000 2.016 371 A HA 0.136 4.318 4.320 -0.229 0.000 0.217 371 A C 1.954 179.437 177.584 -0.169 0.000 1.162 371 A CA 1.244 53.094 52.037 -0.312 0.000 0.662 371 A CB -0.611 18.162 19.000 -0.379 0.000 0.812 371 A HN 0.424 nan 8.150 nan 0.000 0.450 372 K N -0.131 120.203 120.400 -0.110 0.000 2.699 372 K HA 0.595 4.778 4.320 -0.229 0.000 0.210 372 K C 1.016 177.586 176.600 -0.050 0.000 1.076 372 K CA 0.426 56.667 56.287 -0.077 0.000 1.109 372 K CB -0.959 31.511 32.500 -0.051 0.000 0.862 372 K HN 0.203 nan 8.250 nan 0.000 0.470 373 V N 0.072 119.957 119.914 -0.048 0.000 2.332 373 V HA -0.182 3.801 4.120 -0.229 0.000 0.248 373 V C 1.982 177.946 176.094 -0.216 0.000 1.055 373 V CA 1.608 63.876 62.300 -0.054 0.000 1.038 373 V CB -0.882 30.974 31.823 0.056 0.000 0.651 373 V HN 0.671 nan 8.190 nan 0.000 0.450 374 F N 0.880 120.525 119.950 -0.508 0.000 2.494 374 F HA -0.075 4.316 4.527 -0.227 0.000 0.298 374 F C 1.894 177.572 175.800 -0.204 0.000 1.106 374 F CA 0.877 58.549 58.000 -0.546 0.000 1.452 374 F CB -1.124 37.755 39.000 -0.202 0.000 1.085 374 F HN 0.319 nan 8.300 nan 0.000 0.569 375 D N -0.661 119.771 120.400 0.053 0.000 2.317 375 D HA -0.080 4.422 4.640 -0.229 0.000 0.211 375 D C 2.092 178.439 176.300 0.078 0.000 0.966 375 D CA 0.527 54.569 54.000 0.070 0.000 0.876 375 D CB -0.013 40.812 40.800 0.041 0.000 0.927 375 D HN 0.121 nan 8.370 nan 0.000 0.519 376 E N -0.088 120.149 120.200 0.063 0.000 2.112 376 E HA -0.078 4.134 4.350 -0.229 0.000 0.190 376 E C 1.603 178.380 176.600 0.295 0.000 0.979 376 E CA 0.514 56.999 56.400 0.142 0.000 0.814 376 E CB -0.104 29.686 29.700 0.151 0.000 0.762 376 E HN 0.320 nan 8.360 nan 0.000 0.460 377 F N 1.634 121.607 119.950 0.039 0.000 2.134 377 F HA -0.152 4.240 4.527 -0.226 0.000 0.299 377 F C 2.784 178.565 175.800 -0.033 0.000 1.097 377 F CA 1.186 59.170 58.000 -0.028 0.000 1.264 377 F CB -1.546 37.411 39.000 -0.071 0.000 1.001 377 F HN 0.047 nan 8.300 nan 0.000 0.479 378 K N 0.631 121.157 120.400 0.209 0.000 2.059 378 K HA -0.205 3.978 4.320 -0.229 0.000 0.212 378 K C -0.102 176.528 176.600 0.050 0.000 1.050 378 K CA 2.171 58.525 56.287 0.110 0.000 0.927 378 K CB -2.531 30.029 32.500 0.099 0.000 0.714 378 K HN 0.240 nan 8.250 nan 0.000 0.447 379 P HA -0.074 nan 4.420 nan 0.000 0.215 379 P C 1.469 178.756 177.300 -0.021 0.000 1.157 379 P CA 0.857 63.965 63.100 0.015 0.000 0.863 379 P CB -0.036 31.678 31.700 0.024 0.000 0.787 380 L N -1.254 119.953 121.223 -0.026 0.000 2.079 380 L HA -0.144 4.059 4.340 -0.229 0.000 0.210 380 L C 2.248 179.023 176.870 -0.157 0.000 1.081 380 L CA 1.291 56.075 54.840 -0.092 0.000 0.752 380 L CB -1.050 40.936 42.059 -0.120 0.000 0.896 380 L HN -0.109 nan 8.230 nan 0.000 0.433 381 V N -0.446 119.369 119.914 -0.165 0.000 2.548 381 V HA -0.190 3.792 4.120 -0.229 0.000 0.249 381 V C 2.264 178.246 176.094 -0.187 0.000 1.055 381 V CA 1.474 63.616 62.300 -0.264 0.000 1.065 381 V CB -0.372 31.300 31.823 -0.252 0.000 0.681 381 V HN 0.443 nan 8.190 nan 0.000 0.462 382 E N -0.309 119.831 120.200 -0.101 0.000 2.112 382 E HA -0.174 4.038 4.350 -0.229 0.000 0.190 382 E C 2.274 178.833 176.600 -0.068 0.000 0.979 382 E CA 0.676 57.035 56.400 -0.068 0.000 0.814 382 E CB -0.116 29.565 29.700 -0.031 0.000 0.762 382 E HN 0.518 nan 8.360 nan 0.000 0.460 383 E N 0.975 121.134 120.200 -0.069 0.000 2.048 383 E HA -0.197 4.016 4.350 -0.229 0.000 0.202 383 E C -0.699 175.863 176.600 -0.064 0.000 1.021 383 E CA 1.861 58.226 56.400 -0.058 0.000 0.825 383 E CB -0.961 28.703 29.700 -0.060 0.000 0.756 383 E HN 0.148 nan 8.360 nan 0.000 0.454 384 P HA -0.128 nan 4.420 nan 0.000 0.215 384 P C 1.420 178.674 177.300 -0.077 0.000 1.157 384 P CA 1.710 64.755 63.100 -0.092 0.000 0.868 384 P CB -0.156 31.461 31.700 -0.139 0.000 0.788 385 Q N -0.923 118.824 119.800 -0.088 0.000 2.096 385 Q HA -0.178 4.024 4.340 -0.229 0.000 0.204 385 Q C 1.965 177.943 176.000 -0.038 0.000 0.982 385 Q CA 1.253 57.019 55.803 -0.063 0.000 0.850 385 Q CB -0.616 28.085 28.738 -0.062 0.000 0.901 385 Q HN 0.322 nan 8.270 nan 0.000 0.422 386 N N 0.560 119.241 118.700 -0.033 0.000 2.142 386 N HA -0.130 4.472 4.740 -0.229 0.000 0.186 386 N C 1.752 177.256 175.510 -0.009 0.000 1.023 386 N CA 0.800 53.840 53.050 -0.017 0.000 0.852 386 N CB -0.211 38.267 38.487 -0.014 0.000 0.998 386 N HN 0.118 nan 8.380 nan 0.000 0.424 387 L N 1.556 122.771 121.223 -0.012 0.000 2.017 387 L HA -0.048 4.154 4.340 -0.229 0.000 0.208 387 L C 2.002 178.876 176.870 0.007 0.000 1.073 387 L CA 1.141 55.983 54.840 0.003 0.000 0.745 387 L CB -0.552 41.507 42.059 0.000 0.000 0.894 387 L HN 0.049 nan 8.230 nan 0.000 0.432 388 I N 0.200 120.761 120.570 -0.015 0.000 2.127 388 I HA -0.311 3.722 4.170 -0.229 0.000 0.241 388 I C 2.834 178.939 176.117 -0.021 0.000 1.075 388 I CA 1.891 63.175 61.300 -0.027 0.000 1.334 388 I CB -1.944 36.027 38.000 -0.048 0.000 1.040 388 I HN 0.305 nan 8.210 nan 0.000 0.405 389 K N 0.953 121.344 120.400 -0.016 0.000 2.001 389 K HA -0.241 3.942 4.320 -0.229 0.000 0.214 389 K C 1.976 178.579 176.600 0.005 0.000 1.050 389 K CA 1.872 58.154 56.287 -0.008 0.000 0.934 389 K CB -1.263 31.234 32.500 -0.005 0.000 0.718 389 K HN 0.537 nan 8.250 nan 0.000 0.443 390 Q N 0.245 120.056 119.800 0.017 0.000 1.857 390 Q HA -0.167 4.035 4.340 -0.229 0.000 0.237 390 Q C 2.182 178.216 176.000 0.058 0.000 1.004 390 Q CA 1.459 57.284 55.803 0.037 0.000 0.881 390 Q CB -0.372 28.391 28.738 0.043 0.000 0.946 390 Q HN 0.631 nan 8.270 nan 0.000 0.421 391 N N 0.212 118.966 118.700 0.091 0.000 2.242 391 N HA -0.209 4.393 4.740 -0.229 0.000 0.193 391 N C 1.746 177.282 175.510 0.044 0.000 1.000 391 N CA 1.364 54.510 53.050 0.160 0.000 0.885 391 N CB -0.377 38.235 38.487 0.209 0.000 0.988 391 N HN 0.329 nan 8.380 nan 0.000 0.444 392 c N 0.523 119.112 118.600 -0.017 0.000 2.485 392 c HA 0.020 4.453 4.570 -0.229 0.000 0.278 392 c C 3.048 177.139 174.090 0.003 0.000 1.356 392 c CA 0.901 57.191 56.329 -0.065 0.000 1.747 392 c CB -0.902 41.556 42.510 -0.087 0.000 2.001 392 c HN 0.644 nan 8.230 nan 0.000 0.501 393 E N 0.585 120.794 120.200 0.016 0.000 2.038 393 E HA -0.255 3.958 4.350 -0.229 0.000 0.195 393 E C 1.828 178.447 176.600 0.032 0.000 1.000 393 E CA 1.659 58.072 56.400 0.023 0.000 0.803 393 E CB -0.877 28.838 29.700 0.025 0.000 0.750 393 E HN 0.574 nan 8.360 nan 0.000 0.448 394 L N -0.998 120.260 121.223 0.058 0.000 2.042 394 L HA -0.032 4.170 4.340 -0.229 0.000 0.210 394 L C 2.459 179.338 176.870 0.015 0.000 1.076 394 L CA 2.257 57.149 54.840 0.087 0.000 0.749 394 L CB -0.383 41.801 42.059 0.209 0.000 0.893 394 L HN 0.469 nan 8.230 nan 0.000 0.432 395 F N 0.748 120.513 119.950 -0.309 0.000 2.046 395 F HA -0.279 4.112 4.527 -0.226 0.000 0.297 395 F C 2.415 178.068 175.800 -0.246 0.000 1.123 395 F CA 2.210 59.876 58.000 -0.558 0.000 1.199 395 F CB -0.381 38.180 39.000 -0.732 0.000 0.972 395 F HN 0.167 nan 8.300 nan 0.000 0.474 396 E N -0.636 119.587 120.200 0.040 0.000 2.187 396 E HA -0.341 3.871 4.350 -0.229 0.000 0.199 396 E C 2.142 178.702 176.600 -0.065 0.000 1.004 396 E CA 1.664 58.068 56.400 0.007 0.000 0.813 396 E CB -0.292 29.426 29.700 0.031 0.000 0.736 396 E HN 0.601 nan 8.360 nan 0.000 0.468 397 Q N -0.130 119.630 119.800 -0.065 0.000 2.259 397 Q HA -0.005 4.197 4.340 -0.229 0.000 0.201 397 Q C 2.083 178.038 176.000 -0.075 0.000 0.938 397 Q CA 0.281 56.054 55.803 -0.050 0.000 0.872 397 Q CB 0.358 29.087 28.738 -0.015 0.000 0.971 397 Q HN 0.278 nan 8.270 nan 0.000 0.494 398 L N -0.486 120.672 121.223 -0.108 0.000 2.307 398 L HA 0.249 4.452 4.340 -0.229 0.000 0.211 398 L C 1.042 177.806 176.870 -0.176 0.000 1.099 398 L CA 0.493 55.275 54.840 -0.097 0.000 0.816 398 L CB -0.024 42.026 42.059 -0.016 0.000 0.952 398 L HN 0.332 nan 8.230 nan 0.000 0.455 399 G N 0.499 109.070 108.800 -0.381 0.000 2.712 399 G HA2 -0.253 3.569 3.960 -0.229 0.000 0.683 399 G HA3 -0.253 3.569 3.960 -0.229 0.000 0.683 399 G C 0.216 174.776 174.900 -0.566 0.000 1.320 399 G CA 0.080 44.927 45.100 -0.421 0.000 0.847 399 G HN 0.231 nan 8.290 nan 0.000 0.553 400 E N -0.828 119.127 120.200 -0.408 0.000 2.028 400 E HA -0.150 4.062 4.350 -0.229 0.000 0.191 400 E C 2.068 178.710 176.600 0.070 0.000 0.988 400 E CA 1.725 58.027 56.400 -0.163 0.000 0.799 400 E CB -0.179 29.577 29.700 0.095 0.000 0.755 400 E HN 0.676 nan 8.360 nan 0.000 0.447 401 Y N 1.266 121.553 120.300 -0.022 0.000 2.070 401 Y HA -0.298 4.114 4.550 -0.231 0.000 0.280 401 Y C 2.475 178.382 175.900 0.012 0.000 1.148 401 Y CA 3.272 61.376 58.100 0.007 0.000 1.125 401 Y CB -0.918 37.538 38.460 -0.006 0.000 0.975 401 Y HN 0.072 nan 8.280 nan 0.000 0.492 402 K N 0.114 120.408 120.400 -0.177 0.000 2.063 402 K HA -0.226 3.956 4.320 -0.229 0.000 0.208 402 K C 2.129 178.642 176.600 -0.144 0.000 1.048 402 K CA 1.702 57.838 56.287 -0.250 0.000 0.928 402 K CB -1.963 30.489 32.500 -0.079 0.000 0.713 402 K HN 0.551 nan 8.250 nan 0.000 0.442 403 F N 2.009 121.839 119.950 -0.200 0.000 2.126 403 F HA -0.219 4.168 4.527 -0.234 0.000 0.299 403 F C 2.590 178.343 175.800 -0.077 0.000 1.096 403 F CA 2.146 60.078 58.000 -0.114 0.000 1.255 403 F CB -0.143 38.798 39.000 -0.098 0.000 0.997 403 F HN 0.394 nan 8.300 nan 0.000 0.479 404 Q N -0.130 119.655 119.800 -0.026 0.000 2.096 404 Q HA -0.224 3.978 4.340 -0.229 0.000 0.204 404 Q C 1.937 177.799 176.000 -0.230 0.000 0.982 404 Q CA 1.576 57.309 55.803 -0.117 0.000 0.850 404 Q CB -0.397 28.324 28.738 -0.028 0.000 0.901 404 Q HN 0.459 nan 8.270 nan 0.000 0.422 405 N N 0.702 119.219 118.700 -0.304 0.000 2.166 405 N HA -0.134 4.469 4.740 -0.229 0.000 0.186 405 N C 1.664 177.045 175.510 -0.214 0.000 1.019 405 N CA 1.317 54.196 53.050 -0.286 0.000 0.856 405 N CB -0.340 37.917 38.487 -0.382 0.000 0.993 405 N HN 0.232 nan 8.380 nan 0.000 0.426 406 A N 1.323 124.004 122.820 -0.231 0.000 1.902 406 A HA -0.041 4.141 4.320 -0.229 0.000 0.217 406 A C 2.343 179.800 177.584 -0.212 0.000 1.181 406 A CA 0.923 52.839 52.037 -0.202 0.000 0.623 406 A CB -0.725 18.151 19.000 -0.207 0.000 0.818 406 A HN 0.214 nan 8.150 nan 0.000 0.443 407 L N -0.824 120.212 121.223 -0.313 0.000 2.201 407 L HA -0.098 4.105 4.340 -0.229 0.000 0.212 407 L C 2.459 179.280 176.870 -0.081 0.000 1.105 407 L CA 0.478 55.191 54.840 -0.211 0.000 0.775 407 L CB -0.401 41.456 42.059 -0.337 0.000 0.913 407 L HN 0.365 nan 8.230 nan 0.000 0.440 408 L N -1.019 120.128 121.223 -0.127 0.000 2.027 408 L HA -0.181 4.021 4.340 -0.229 0.000 0.206 408 L C 2.478 179.322 176.870 -0.043 0.000 1.074 408 L CA 0.945 55.732 54.840 -0.087 0.000 0.745 408 L CB -0.278 41.714 42.059 -0.113 0.000 0.898 408 L HN 0.030 nan 8.230 nan 0.000 0.433 409 V N -0.018 119.861 119.914 -0.058 0.000 2.295 409 V HA -0.309 3.674 4.120 -0.229 0.000 0.246 409 V C 3.183 179.261 176.094 -0.027 0.000 1.049 409 V CA 2.357 64.634 62.300 -0.039 0.000 1.024 409 V CB -1.240 30.555 31.823 -0.046 0.000 0.648 409 V HN 0.538 nan 8.190 nan 0.000 0.447 410 R N -0.919 119.565 120.500 -0.027 0.000 2.091 410 R HA -0.225 3.978 4.340 -0.229 0.000 0.238 410 R C 2.075 178.336 176.300 -0.065 0.000 1.136 410 R CA 2.336 58.409 56.100 -0.044 0.000 0.959 410 R CB -1.632 28.644 30.300 -0.041 0.000 0.856 410 R HN 0.660 nan 8.270 nan 0.000 0.437 411 Y N 1.052 121.284 120.300 -0.114 0.000 2.395 411 Y HA -0.036 4.380 4.550 -0.223 0.000 0.293 411 Y C 2.856 178.691 175.900 -0.108 0.000 1.123 411 Y CA 1.745 59.776 58.100 -0.116 0.000 1.227 411 Y CB -0.062 38.308 38.460 -0.150 0.000 1.012 411 Y HN 0.277 nan 8.280 nan 0.000 0.552 412 T N -0.383 114.183 114.554 0.021 0.000 2.951 412 T HA -0.114 4.098 4.350 -0.229 0.000 0.268 412 T C 1.720 176.362 174.700 -0.096 0.000 1.073 412 T CA 1.106 63.181 62.100 -0.042 0.000 1.134 412 T CB -0.063 68.783 68.868 -0.037 0.000 0.884 412 T HN 0.304 nan 8.240 nan 0.000 0.479 413 K N 0.882 121.235 120.400 -0.080 0.000 2.228 413 K HA 0.066 4.248 4.320 -0.229 0.000 0.202 413 K C 2.256 178.790 176.600 -0.110 0.000 1.051 413 K CA 0.716 56.951 56.287 -0.087 0.000 0.960 413 K CB 0.078 32.544 32.500 -0.057 0.000 0.743 413 K HN 0.285 nan 8.250 nan 0.000 0.458 414 K N 0.750 121.073 120.400 -0.129 0.000 2.007 414 K HA -0.047 4.136 4.320 -0.229 0.000 0.206 414 K C 1.066 177.608 176.600 -0.097 0.000 1.047 414 K CA 1.247 57.456 56.287 -0.130 0.000 0.937 414 K CB 0.220 32.592 32.500 -0.214 0.000 0.718 414 K HN 0.035 nan 8.250 nan 0.000 0.438 415 V N -1.452 118.407 119.914 -0.092 0.000 2.384 415 V HA 0.254 4.237 4.120 -0.229 0.000 0.257 415 V C -2.660 173.353 176.094 -0.135 0.000 0.969 415 V CA -1.635 60.618 62.300 -0.078 0.000 0.910 415 V CB 1.126 32.942 31.823 -0.012 0.000 1.150 415 V HN -0.073 nan 8.190 nan 0.000 0.481 416 P HA -0.110 nan 4.420 nan 0.000 0.221 416 P C 1.382 178.498 177.300 -0.306 0.000 1.145 416 P CA 1.367 64.177 63.100 -0.484 0.000 0.795 416 P CB 0.294 31.222 31.700 -1.287 0.000 0.775 417 Q N -0.274 119.433 119.800 -0.155 0.000 2.083 417 Q HA 0.035 4.237 4.340 -0.229 0.000 0.198 417 Q C 1.379 177.399 176.000 0.033 0.000 0.969 417 Q CA 0.574 56.380 55.803 0.005 0.000 0.838 417 Q CB -1.710 27.071 28.738 0.071 0.000 0.900 417 Q HN 0.183 nan 8.270 nan 0.000 0.436 418 V N 1.620 121.556 119.914 0.037 0.000 2.790 418 V HA -0.020 3.963 4.120 -0.229 0.000 0.304 418 V C 0.486 176.598 176.094 0.030 0.000 1.142 418 V CA 0.553 62.893 62.300 0.067 0.000 1.282 418 V CB -0.261 31.591 31.823 0.048 0.000 0.877 418 V HN 0.368 nan 8.190 nan 0.000 0.504 419 S N 3.296 119.017 115.700 0.035 0.000 2.525 419 S HA 0.116 4.449 4.470 -0.229 0.000 0.285 419 S C 1.246 175.840 174.600 -0.011 0.000 1.283 419 S CA 0.236 58.442 58.200 0.010 0.000 1.072 419 S CB 0.463 63.667 63.200 0.006 0.000 0.867 419 S HN 0.973 nan 8.310 nan 0.000 0.492 420 T N 4.474 119.015 114.554 -0.022 0.000 2.714 420 T HA -0.112 4.100 4.350 -0.229 0.000 0.268 420 T C -0.865 173.807 174.700 -0.047 0.000 1.036 420 T CA 1.956 64.031 62.100 -0.042 0.000 1.148 420 T CB -1.528 67.304 68.868 -0.060 0.000 0.856 420 T HN 0.566 nan 8.240 nan 0.000 0.462 421 P HA -0.032 nan 4.420 nan 0.000 0.215 421 P C 1.715 178.992 177.300 -0.038 0.000 1.157 421 P CA 1.213 64.290 63.100 -0.038 0.000 0.863 421 P CB -0.268 31.413 31.700 -0.030 0.000 0.787 422 T N -0.333 114.203 114.554 -0.030 0.000 2.788 422 T HA -0.087 4.126 4.350 -0.229 0.000 0.268 422 T C 1.786 176.451 174.700 -0.059 0.000 1.044 422 T CA 1.003 63.083 62.100 -0.034 0.000 1.139 422 T CB -0.903 67.960 68.868 -0.009 0.000 0.867 422 T HN 0.033 nan 8.240 nan 0.000 0.454 423 L N 0.632 121.822 121.223 -0.055 0.000 2.027 423 L HA -0.085 4.117 4.340 -0.229 0.000 0.206 423 L C 2.705 179.517 176.870 -0.097 0.000 1.074 423 L CA 0.932 55.726 54.840 -0.077 0.000 0.745 423 L CB -0.670 41.357 42.059 -0.054 0.000 0.898 423 L HN 0.141 nan 8.230 nan 0.000 0.433 424 V N -0.078 119.791 119.914 -0.076 0.000 2.287 424 V HA -0.308 3.674 4.120 -0.229 0.000 0.248 424 V C 2.513 178.565 176.094 -0.070 0.000 1.053 424 V CA 2.104 64.362 62.300 -0.071 0.000 1.027 424 V CB -0.496 31.293 31.823 -0.057 0.000 0.646 424 V HN 0.458 nan 8.190 nan 0.000 0.447 425 E N 0.452 120.613 120.200 -0.064 0.000 2.038 425 E HA -0.188 4.025 4.350 -0.229 0.000 0.195 425 E C 2.050 178.599 176.600 -0.085 0.000 1.000 425 E CA 1.978 58.344 56.400 -0.057 0.000 0.803 425 E CB -0.523 29.148 29.700 -0.047 0.000 0.750 425 E HN 0.319 nan 8.360 nan 0.000 0.448 426 V N 0.253 120.090 119.914 -0.128 0.000 2.295 426 V HA -0.256 3.727 4.120 -0.229 0.000 0.246 426 V C 2.434 178.380 176.094 -0.247 0.000 1.049 426 V CA 2.050 64.232 62.300 -0.197 0.000 1.024 426 V CB -0.694 30.976 31.823 -0.256 0.000 0.648 426 V HN 0.255 nan 8.190 nan 0.000 0.447 427 S N -0.665 114.884 115.700 -0.251 0.000 2.383 427 S HA -0.151 4.182 4.470 -0.229 0.000 0.227 427 S C 2.069 176.582 174.600 -0.144 0.000 1.026 427 S CA 1.262 59.305 58.200 -0.262 0.000 0.981 427 S CB -0.272 62.797 63.200 -0.218 0.000 0.818 427 S HN 0.535 nan 8.310 nan 0.000 0.472 428 R N 1.541 121.992 120.500 -0.082 0.000 2.073 428 R HA -0.008 4.195 4.340 -0.229 0.000 0.234 428 R C 1.917 178.231 176.300 0.023 0.000 1.134 428 R CA 1.392 57.486 56.100 -0.010 0.000 0.952 428 R CB -0.498 29.806 30.300 0.008 0.000 0.850 428 R HN 0.370 nan 8.270 nan 0.000 0.433 429 N N 1.153 119.853 118.700 0.000 0.000 2.120 429 N HA -0.125 4.478 4.740 -0.229 0.000 0.188 429 N C 1.980 177.543 175.510 0.088 0.000 1.024 429 N CA 1.067 54.149 53.050 0.053 0.000 0.852 429 N CB -0.317 38.175 38.487 0.009 0.000 1.003 429 N HN 0.190 nan 8.380 nan 0.000 0.424 430 L N 0.441 121.657 121.223 -0.012 0.000 2.127 430 L HA -0.116 4.087 4.340 -0.229 0.000 0.211 430 L C 2.360 179.298 176.870 0.113 0.000 1.089 430 L CA 1.309 56.147 54.840 -0.003 0.000 0.757 430 L CB -0.765 41.184 42.059 -0.185 0.000 0.899 430 L HN 0.237 nan 8.230 nan 0.000 0.434 431 G N -0.616 108.270 108.800 0.142 0.000 2.403 431 G HA2 -0.204 3.618 3.960 -0.229 0.000 0.216 431 G HA3 -0.204 3.618 3.960 -0.229 0.000 0.216 431 G C 1.812 176.894 174.900 0.302 0.000 1.154 431 G CA 0.468 45.792 45.100 0.374 0.000 0.784 431 G HN 0.188 nan 8.290 nan 0.000 0.538 432 K N 0.226 120.717 120.400 0.152 0.000 2.152 432 K HA -0.052 4.131 4.320 -0.229 0.000 0.206 432 K C 2.742 179.224 176.600 -0.198 0.000 1.048 432 K CA 0.986 57.297 56.287 0.040 0.000 0.933 432 K CB -0.870 31.667 32.500 0.063 0.000 0.721 432 K HN 0.308 nan 8.250 nan 0.000 0.447 433 V N 0.889 120.661 119.914 -0.236 0.000 2.317 433 V HA -0.265 3.718 4.120 -0.229 0.000 0.251 433 V C 2.621 178.400 176.094 -0.526 0.000 1.065 433 V CA 2.217 64.232 62.300 -0.475 0.000 1.049 433 V CB -1.573 30.147 31.823 -0.172 0.000 0.651 433 V HN 0.595 nan 8.190 nan 0.000 0.450 434 G N -0.314 108.117 108.800 -0.615 0.000 2.491 434 G HA2 -0.281 3.542 3.960 -0.229 0.000 0.218 434 G HA3 -0.281 3.542 3.960 -0.229 0.000 0.218 434 G C 1.812 175.850 174.900 -1.436 0.000 1.180 434 G CA 1.322 45.550 45.100 -1.452 0.000 0.774 434 G HN 0.544 nan 8.290 nan 0.000 0.562 435 S N -0.236 114.907 115.700 -0.927 0.000 2.383 435 S HA -0.094 4.239 4.470 -0.229 0.000 0.227 435 S C 2.305 176.751 174.600 -0.257 0.000 1.026 435 S CA 1.507 59.520 58.200 -0.313 0.000 0.981 435 S CB -0.108 63.113 63.200 0.035 0.000 0.818 435 S HN 0.405 nan 8.310 nan 0.000 0.472 436 K N 0.603 120.799 120.400 -0.339 0.000 2.007 436 K HA -0.021 4.161 4.320 -0.229 0.000 0.206 436 K C 2.239 178.631 176.600 -0.348 0.000 1.047 436 K CA 1.429 57.538 56.287 -0.297 0.000 0.937 436 K CB -1.060 31.180 32.500 -0.434 0.000 0.718 436 K HN 0.643 nan 8.250 nan 0.000 0.438 437 c N -0.336 117.978 118.600 -0.478 0.000 2.631 437 c HA 0.111 4.543 4.570 -0.229 0.000 0.283 437 c C 2.784 176.660 174.090 -0.356 0.000 1.295 437 c CA 0.345 56.342 56.329 -0.552 0.000 1.697 437 c CB -1.267 40.974 42.510 -0.448 0.000 2.128 437 c HN 0.758 nan 8.230 nan 0.000 0.503 438 c N 2.383 120.785 118.600 -0.331 0.000 2.397 438 c HA -0.243 4.189 4.570 -0.229 0.000 0.274 438 c C 2.561 176.611 174.090 -0.065 0.000 1.147 438 c CA 2.049 58.249 56.329 -0.215 0.000 1.847 438 c CB -1.730 40.593 42.510 -0.312 0.000 2.170 438 c HN 0.757 nan 8.230 nan 0.000 0.470 439 K N 0.081 120.480 120.400 -0.002 0.000 2.515 439 K HA -0.067 4.116 4.320 -0.229 0.000 0.196 439 K C 0.034 176.723 176.600 0.149 0.000 1.038 439 K CA 0.963 57.297 56.287 0.079 0.000 0.967 439 K CB -0.284 32.265 32.500 0.083 0.000 0.780 439 K HN 0.558 nan 8.250 nan 0.000 0.483 440 H N 1.776 120.803 119.070 -0.072 0.000 2.488 440 H HA 0.305 4.725 4.556 -0.227 0.000 0.347 440 H C -2.280 173.021 175.328 -0.046 0.000 1.174 440 H CA -2.356 53.659 56.048 -0.055 0.000 1.307 440 H CB 0.697 30.423 29.762 -0.061 0.000 1.517 440 H HN 0.078 nan 8.280 nan 0.000 0.554 441 P HA 0.025 nan 4.420 nan 0.000 0.274 441 P C 0.330 177.654 177.300 0.039 0.000 1.231 441 P CA -0.297 62.823 63.100 0.034 0.000 0.790 441 P CB 1.397 33.102 31.700 0.009 0.000 0.951 442 E N 2.242 122.455 120.200 0.022 0.000 2.172 442 E HA -0.291 3.922 4.350 -0.229 0.000 0.213 442 E C 2.131 178.747 176.600 0.028 0.000 1.051 442 E CA 2.870 59.281 56.400 0.018 0.000 0.860 442 E CB -1.221 28.488 29.700 0.016 0.000 0.755 442 E HN 0.579 nan 8.360 nan 0.000 0.462 443 A N -0.259 122.580 122.820 0.033 0.000 1.958 443 A HA -0.248 3.935 4.320 -0.229 0.000 0.221 443 A C 2.197 179.810 177.584 0.048 0.000 1.178 443 A CA 3.126 55.187 52.037 0.040 0.000 0.642 443 A CB -0.836 18.178 19.000 0.024 0.000 0.816 443 A HN 0.303 nan 8.150 nan 0.000 0.453 444 K N -0.578 119.857 120.400 0.059 0.000 2.387 444 K HA 0.350 4.533 4.320 -0.229 0.000 0.203 444 K C 1.674 178.293 176.600 0.032 0.000 1.030 444 K CA 0.395 56.725 56.287 0.073 0.000 1.099 444 K CB -0.320 32.264 32.500 0.140 0.000 0.863 444 K HN 0.582 nan 8.250 nan 0.000 0.529 445 R N -0.448 120.055 120.500 0.005 0.000 2.066 445 R HA 0.075 4.278 4.340 -0.229 0.000 0.232 445 R C 2.379 178.630 176.300 -0.082 0.000 1.131 445 R CA 1.735 57.796 56.100 -0.065 0.000 0.955 445 R CB -0.247 30.022 30.300 -0.051 0.000 0.851 445 R HN 0.481 nan 8.270 nan 0.000 0.432 446 M N 0.555 120.127 119.600 -0.048 0.000 2.065 446 M HA -0.128 4.215 4.480 -0.229 0.000 0.259 446 M C -0.949 175.322 176.300 -0.048 0.000 1.069 446 M CA 2.049 57.316 55.300 -0.055 0.000 1.110 446 M CB -0.770 31.796 32.600 -0.057 0.000 1.328 446 M HN -0.035 nan 8.290 nan 0.000 0.405 447 P HA -0.142 nan 4.420 nan 0.000 0.215 447 P C 1.703 178.984 177.300 -0.031 0.000 1.157 447 P CA 1.256 64.344 63.100 -0.020 0.000 0.868 447 P CB -0.348 31.347 31.700 -0.008 0.000 0.788 448 c N -0.189 118.367 118.600 -0.073 0.000 2.413 448 c HA -0.119 4.314 4.570 -0.229 0.000 0.278 448 c C 2.827 176.860 174.090 -0.094 0.000 1.224 448 c CA 1.887 58.141 56.329 -0.126 0.000 1.732 448 c CB -1.636 40.681 42.510 -0.322 0.000 2.050 448 c HN 0.220 nan 8.230 nan 0.000 0.463 449 A N -0.320 122.428 122.820 -0.120 0.000 1.835 449 A HA -0.227 3.956 4.320 -0.229 0.000 0.215 449 A C 2.111 179.690 177.584 -0.009 0.000 1.199 449 A CA 2.056 54.042 52.037 -0.086 0.000 0.615 449 A CB -1.093 17.846 19.000 -0.102 0.000 0.838 449 A HN 0.788 nan 8.150 nan 0.000 0.444 450 E N -0.796 119.391 120.200 -0.021 0.000 2.347 450 E HA -0.142 4.071 4.350 -0.229 0.000 0.196 450 E C 0.944 177.547 176.600 0.004 0.000 1.008 450 E CA 0.864 57.258 56.400 -0.010 0.000 0.852 450 E CB 0.030 29.707 29.700 -0.038 0.000 0.783 450 E HN 0.529 nan 8.360 nan 0.000 0.505 451 D N -0.727 119.686 120.400 0.021 0.000 2.213 451 D HA -0.117 4.386 4.640 -0.229 0.000 0.205 451 D C 1.323 177.636 176.300 0.020 0.000 0.961 451 D CA 0.573 54.587 54.000 0.023 0.000 0.853 451 D CB -0.130 40.698 40.800 0.046 0.000 0.967 451 D HN 0.248 nan 8.370 nan 0.000 0.496 452 Y N 1.515 121.773 120.300 -0.070 0.000 2.200 452 Y HA -0.097 4.362 4.550 -0.151 0.000 0.290 452 Y C 2.226 178.080 175.900 -0.077 0.000 1.137 452 Y CA 1.145 59.199 58.100 -0.077 0.000 1.163 452 Y CB -0.238 38.170 38.460 -0.087 0.000 0.988 452 Y HN -0.123 nan 8.280 nan 0.000 0.518 453 L N -1.057 120.224 121.223 0.097 0.000 2.187 453 L HA -0.267 3.935 4.340 -0.229 0.000 0.213 453 L C 2.384 179.226 176.870 -0.047 0.000 1.100 453 L CA 1.434 56.290 54.840 0.027 0.000 0.765 453 L CB -0.558 41.526 42.059 0.042 0.000 0.904 453 L HN 0.139 nan 8.230 nan 0.000 0.437 454 S N -0.923 114.736 115.700 -0.068 0.000 2.406 454 S HA -0.099 4.234 4.470 -0.229 0.000 0.228 454 S C 1.987 176.497 174.600 -0.151 0.000 1.020 454 S CA 0.812 58.955 58.200 -0.096 0.000 0.965 454 S CB 0.030 63.164 63.200 -0.109 0.000 0.798 454 S HN 0.154 nan 8.310 nan 0.000 0.488 455 V N 1.353 121.136 119.914 -0.219 0.000 2.255 455 V HA -0.107 3.875 4.120 -0.229 0.000 0.243 455 V C 2.329 178.266 176.094 -0.261 0.000 1.038 455 V CA 1.375 63.506 62.300 -0.281 0.000 1.008 455 V CB -0.706 30.874 31.823 -0.405 0.000 0.645 455 V HN 0.316 nan 8.190 nan 0.000 0.449 456 V N 0.070 119.807 119.914 -0.296 0.000 2.332 456 V HA -0.278 3.704 4.120 -0.229 0.000 0.248 456 V C 2.279 178.261 176.094 -0.188 0.000 1.055 456 V CA 2.041 64.202 62.300 -0.232 0.000 1.038 456 V CB -0.606 31.106 31.823 -0.184 0.000 0.651 456 V HN 0.455 nan 8.190 nan 0.000 0.450 457 L N 0.169 121.298 121.223 -0.157 0.000 2.291 457 L HA -0.110 4.093 4.340 -0.229 0.000 0.214 457 L C 2.305 179.131 176.870 -0.074 0.000 1.120 457 L CA 1.423 56.176 54.840 -0.144 0.000 0.799 457 L CB -0.680 41.346 42.059 -0.054 0.000 0.925 457 L HN 0.427 nan 8.230 nan 0.000 0.446 458 N N 0.018 118.668 118.700 -0.084 0.000 2.331 458 N HA -0.206 4.396 4.740 -0.229 0.000 0.180 458 N C 1.861 177.326 175.510 -0.075 0.000 1.019 458 N CA 0.977 53.989 53.050 -0.064 0.000 0.881 458 N CB 0.102 38.524 38.487 -0.108 0.000 0.972 458 N HN 0.270 nan 8.380 nan 0.000 0.435 459 Q N -0.270 119.465 119.800 -0.108 0.000 1.993 459 Q HA -0.154 4.049 4.340 -0.229 0.000 0.202 459 Q C 1.960 177.919 176.000 -0.068 0.000 0.984 459 Q CA 1.452 57.197 55.803 -0.096 0.000 0.837 459 Q CB -0.278 28.391 28.738 -0.115 0.000 0.902 459 Q HN 0.425 nan 8.270 nan 0.000 0.423 460 L N 0.625 121.791 121.223 -0.096 0.000 2.051 460 L HA -0.263 3.940 4.340 -0.229 0.000 0.214 460 L C 2.281 179.155 176.870 0.006 0.000 1.076 460 L CA 1.969 56.759 54.840 -0.084 0.000 0.758 460 L CB -0.923 41.017 42.059 -0.198 0.000 0.890 460 L HN 0.391 nan 8.230 nan 0.000 0.433 461 c N -1.383 117.235 118.600 0.029 0.000 2.442 461 c HA -0.154 4.278 4.570 -0.229 0.000 0.279 461 c C 2.844 176.986 174.090 0.088 0.000 1.237 461 c CA 1.190 57.575 56.329 0.094 0.000 1.722 461 c CB -1.129 41.443 42.510 0.103 0.000 2.056 461 c HN 0.650 nan 8.230 nan 0.000 0.469 462 V N 0.154 120.082 119.914 0.023 0.000 2.343 462 V HA -0.192 3.791 4.120 -0.229 0.000 0.247 462 V C 2.156 178.260 176.094 0.017 0.000 1.051 462 V CA 2.011 64.309 62.300 -0.003 0.000 1.036 462 V CB -1.190 30.596 31.823 -0.062 0.000 0.654 462 V HN 0.589 nan 8.190 nan 0.000 0.451 463 L N 0.069 121.305 121.223 0.021 0.000 2.012 463 L HA -0.207 3.996 4.340 -0.229 0.000 0.210 463 L C 2.828 179.726 176.870 0.048 0.000 1.073 463 L CA 2.544 57.398 54.840 0.023 0.000 0.748 463 L CB -0.996 41.070 42.059 0.013 0.000 0.891 463 L HN 0.481 nan 8.230 nan 0.000 0.431 464 H N 0.075 119.140 119.070 -0.008 0.000 2.387 464 H HA -0.231 4.186 4.556 -0.232 0.000 0.299 464 H C 2.201 177.532 175.328 0.005 0.000 1.090 464 H CA 1.865 57.916 56.048 0.005 0.000 1.332 464 H CB 0.119 29.896 29.762 0.025 0.000 1.386 464 H HN 0.322 nan 8.280 nan 0.000 0.516 465 E N 0.043 120.266 120.200 0.040 0.000 2.333 465 E HA -0.197 4.016 4.350 -0.229 0.000 0.198 465 E C 2.139 178.694 176.600 -0.076 0.000 1.007 465 E CA 0.885 57.273 56.400 -0.020 0.000 0.845 465 E CB 0.078 29.787 29.700 0.016 0.000 0.766 465 E HN 0.245 nan 8.360 nan 0.000 0.507 466 K N -0.321 120.036 120.400 -0.071 0.000 2.155 466 K HA -0.045 4.138 4.320 -0.229 0.000 0.203 466 K C 0.757 177.305 176.600 -0.087 0.000 1.052 466 K CA 1.458 57.711 56.287 -0.057 0.000 0.948 466 K CB 0.002 32.483 32.500 -0.032 0.000 0.728 466 K HN 0.174 nan 8.250 nan 0.000 0.448 467 T N 1.968 116.428 114.554 -0.157 0.000 3.305 467 T HA 0.287 4.500 4.350 -0.229 0.000 0.309 467 T C -3.162 171.346 174.700 -0.320 0.000 0.889 467 T CA -1.502 60.500 62.100 -0.164 0.000 1.386 467 T CB 1.174 69.983 68.868 -0.098 0.000 0.929 467 T HN 0.151 nan 8.240 nan 0.000 0.538 468 P HA 0.152 nan 4.420 nan 0.000 0.264 468 P C 0.884 178.081 177.300 -0.173 0.000 1.229 468 P CA -0.060 62.757 63.100 -0.471 0.000 0.780 468 P CB 0.907 32.505 31.700 -0.170 0.000 0.808 469 V N 0.833 120.715 119.914 -0.054 0.000 3.612 469 V HA 0.252 4.235 4.120 -0.229 0.000 0.268 469 V C 0.717 176.921 176.094 0.184 0.000 1.365 469 V CA 0.325 62.682 62.300 0.096 0.000 1.044 469 V CB 0.226 32.099 31.823 0.084 0.000 0.820 469 V HN 0.497 nan 8.190 nan 0.000 0.444 470 S N 0.751 116.650 115.700 0.332 0.000 2.605 470 S HA 0.401 4.733 4.470 -0.229 0.000 0.308 470 S C 0.278 174.956 174.600 0.129 0.000 1.113 470 S CA -0.412 57.888 58.200 0.168 0.000 1.049 470 S CB 1.495 64.744 63.200 0.081 0.000 1.001 470 S HN 0.372 nan 8.310 nan 0.000 0.480 471 D N 3.960 124.408 120.400 0.079 0.000 2.219 471 D HA -0.034 4.468 4.640 -0.229 0.000 0.205 471 D C 1.701 178.004 176.300 0.004 0.000 0.970 471 D CA 0.838 54.868 54.000 0.050 0.000 0.851 471 D CB 0.116 40.936 40.800 0.033 0.000 0.943 471 D HN 0.580 nan 8.370 nan 0.000 0.488 472 R N 0.378 120.871 120.500 -0.012 0.000 2.092 472 R HA -0.043 4.159 4.340 -0.229 0.000 0.231 472 R C 2.394 178.643 176.300 -0.084 0.000 1.119 472 R CA 0.539 56.609 56.100 -0.049 0.000 0.970 472 R CB -0.200 30.081 30.300 -0.032 0.000 0.864 472 R HN 0.053 nan 8.270 nan 0.000 0.440 473 V N 0.358 120.223 119.914 -0.082 0.000 2.379 473 V HA -0.215 3.768 4.120 -0.229 0.000 0.245 473 V C 2.084 178.114 176.094 -0.107 0.000 1.044 473 V CA 2.082 64.316 62.300 -0.111 0.000 1.036 473 V CB -0.453 31.049 31.823 -0.535 0.000 0.664 473 V HN 0.391 nan 8.190 nan 0.000 0.453 474 T N -0.118 114.409 114.554 -0.046 0.000 2.622 474 T HA -0.288 3.925 4.350 -0.229 0.000 0.266 474 T C 1.931 176.619 174.700 -0.020 0.000 1.047 474 T CA 2.091 64.212 62.100 0.035 0.000 1.159 474 T CB -0.265 68.656 68.868 0.088 0.000 0.863 474 T HN 0.448 nan 8.240 nan 0.000 0.422 475 K N 0.248 120.619 120.400 -0.049 0.000 2.015 475 K HA -0.184 3.999 4.320 -0.229 0.000 0.216 475 K C 2.461 178.984 176.600 -0.128 0.000 1.052 475 K CA 1.928 58.171 56.287 -0.073 0.000 0.937 475 K CB -0.625 31.826 32.500 -0.083 0.000 0.719 475 K HN 0.326 nan 8.250 nan 0.000 0.446 476 c N 0.370 118.819 118.600 -0.251 0.000 2.409 476 c HA -0.116 4.316 4.570 -0.229 0.000 0.284 476 c C 2.751 176.676 174.090 -0.275 0.000 1.354 476 c CA 0.568 56.629 56.329 -0.447 0.000 1.787 476 c CB -1.074 40.767 42.510 -1.115 0.000 1.900 476 c HN 0.660 nan 8.230 nan 0.000 0.520 477 c N -0.207 118.336 118.600 -0.096 0.000 2.551 477 c HA 0.030 4.463 4.570 -0.229 0.000 0.277 477 c C 2.614 176.775 174.090 0.118 0.000 1.349 477 c CA 1.434 57.794 56.329 0.053 0.000 1.750 477 c CB -1.213 41.360 42.510 0.105 0.000 2.058 477 c HN 0.821 nan 8.230 nan 0.000 0.518 478 T N -2.369 112.226 114.554 0.069 0.000 3.001 478 T HA 0.053 4.265 4.350 -0.229 0.000 0.251 478 T C 1.380 176.155 174.700 0.126 0.000 1.040 478 T CA 0.507 62.663 62.100 0.094 0.000 0.985 478 T CB -0.140 68.731 68.868 0.005 0.000 1.011 478 T HN 0.547 nan 8.240 nan 0.000 0.509 479 E N 1.622 121.856 120.200 0.057 0.000 2.031 479 E HA -0.042 4.171 4.350 -0.229 0.000 0.193 479 E C 0.526 177.167 176.600 0.069 0.000 0.994 479 E CA 0.986 57.407 56.400 0.035 0.000 0.800 479 E CB 0.117 29.800 29.700 -0.028 0.000 0.752 479 E HN 0.449 nan 8.360 nan 0.000 0.447 480 S N -1.441 114.283 115.700 0.040 0.000 2.543 480 S HA 0.195 4.527 4.470 -0.229 0.000 0.271 480 S C 0.036 174.546 174.600 -0.150 0.000 1.148 480 S CA -0.855 57.326 58.200 -0.032 0.000 0.914 480 S CB 1.419 64.577 63.200 -0.070 0.000 1.096 480 S HN 0.230 nan 8.310 nan 0.000 0.471 481 L N 5.932 126.868 121.223 -0.479 0.000 2.044 481 L HA 0.192 4.394 4.340 -0.229 0.000 0.205 481 L C 2.359 179.030 176.870 -0.332 0.000 1.075 481 L CA 2.636 57.071 54.840 -0.675 0.000 0.747 481 L CB -0.751 40.471 42.059 -1.395 0.000 0.903 481 L HN 0.805 nan 8.230 nan 0.000 0.435 482 V N -1.206 118.543 119.914 -0.275 0.000 2.970 482 V HA -0.101 3.882 4.120 -0.229 0.000 0.260 482 V C 1.340 177.361 176.094 -0.123 0.000 1.100 482 V CA 1.961 64.157 62.300 -0.172 0.000 1.122 482 V CB -0.932 30.803 31.823 -0.147 0.000 0.721 482 V HN 0.682 nan 8.190 nan 0.000 0.483 483 N N -0.418 118.212 118.700 -0.117 0.000 2.235 483 N HA 0.221 4.824 4.740 -0.229 0.000 0.209 483 N C 1.534 176.996 175.510 -0.079 0.000 1.122 483 N CA -0.257 52.739 53.050 -0.090 0.000 0.845 483 N CB 0.123 38.557 38.487 -0.088 0.000 1.004 483 N HN 0.423 nan 8.380 nan 0.000 0.499 484 R N 1.002 121.464 120.500 -0.063 0.000 2.113 484 R HA -0.128 4.075 4.340 -0.229 0.000 0.244 484 R C 2.146 178.498 176.300 0.086 0.000 1.142 484 R CA 1.247 57.338 56.100 -0.014 0.000 0.953 484 R CB -0.161 30.184 30.300 0.075 0.000 0.860 484 R HN 0.210 nan 8.270 nan 0.000 0.438 485 R N 0.485 121.043 120.500 0.097 0.000 2.070 485 R HA -0.080 4.123 4.340 -0.229 0.000 0.233 485 R C -0.751 175.600 176.300 0.084 0.000 1.137 485 R CA 1.542 57.724 56.100 0.137 0.000 0.945 485 R CB -1.295 29.043 30.300 0.064 0.000 0.845 485 R HN 0.141 nan 8.270 nan 0.000 0.430 486 P HA -0.141 nan 4.420 nan 0.000 0.215 486 P C 1.659 178.934 177.300 -0.042 0.000 1.153 486 P CA 1.059 64.147 63.100 -0.021 0.000 0.853 486 P CB -0.229 31.442 31.700 -0.047 0.000 0.788 487 c N -1.746 116.796 118.600 -0.097 0.000 2.413 487 c HA -0.187 4.245 4.570 -0.229 0.000 0.277 487 c C 2.423 176.395 174.090 -0.196 0.000 1.228 487 c CA 0.888 57.098 56.329 -0.199 0.000 1.731 487 c CB -2.089 40.215 42.510 -0.342 0.000 2.042 487 c HN 0.070 nan 8.230 nan 0.000 0.468 488 F N 1.448 121.365 119.950 -0.054 0.000 2.134 488 F HA -0.097 4.292 4.527 -0.230 0.000 0.299 488 F C 2.839 178.559 175.800 -0.134 0.000 1.097 488 F CA 2.017 59.967 58.000 -0.083 0.000 1.264 488 F CB -1.065 37.931 39.000 -0.007 0.000 1.001 488 F HN 0.157 nan 8.300 nan 0.000 0.479 489 S N -0.309 115.448 115.700 0.096 0.000 2.399 489 S HA -0.166 4.167 4.470 -0.229 0.000 0.231 489 S C 2.329 176.911 174.600 -0.030 0.000 1.022 489 S CA 0.913 59.120 58.200 0.012 0.000 0.983 489 S CB -0.619 62.594 63.200 0.022 0.000 0.803 489 S HN 0.368 nan 8.310 nan 0.000 0.480 490 A N 1.265 124.064 122.820 -0.035 0.000 1.933 490 A HA 0.095 4.277 4.320 -0.229 0.000 0.218 490 A C 0.927 178.476 177.584 -0.059 0.000 1.175 490 A CA 0.714 52.721 52.037 -0.049 0.000 0.628 490 A CB -0.583 18.381 19.000 -0.060 0.000 0.814 490 A HN 0.438 nan 8.150 nan 0.000 0.444 491 L N -0.154 121.028 121.223 -0.068 0.000 2.490 491 L HA 0.109 4.312 4.340 -0.229 0.000 0.274 491 L C 1.262 178.079 176.870 -0.089 0.000 1.201 491 L CA -0.122 54.674 54.840 -0.073 0.000 0.869 491 L CB 0.600 42.619 42.059 -0.066 0.000 1.123 491 L HN 0.501 nan 8.230 nan 0.000 0.484 492 E N 2.723 122.880 120.200 -0.073 0.000 2.406 492 E HA 0.191 4.404 4.350 -0.229 0.000 0.200 492 E C -0.621 175.937 176.600 -0.070 0.000 1.034 492 E CA 0.139 56.496 56.400 -0.070 0.000 1.057 492 E CB 0.702 30.374 29.700 -0.047 0.000 1.751 492 E HN 0.327 nan 8.360 nan 0.000 0.525 493 V N 0.017 119.904 119.914 -0.045 0.000 2.841 493 V HA 0.489 4.472 4.120 -0.229 0.000 0.310 493 V C -1.042 175.043 176.094 -0.015 0.000 1.090 493 V CA -0.979 61.300 62.300 -0.034 0.000 0.930 493 V CB 1.797 33.611 31.823 -0.014 0.000 1.014 493 V HN 0.284 nan 8.190 nan 0.000 0.425 494 D N 3.421 123.814 120.400 -0.012 0.000 2.367 494 D HA 0.133 4.635 4.640 -0.229 0.000 0.255 494 D C 1.115 177.458 176.300 0.073 0.000 1.300 494 D CA 0.450 54.463 54.000 0.023 0.000 0.959 494 D CB 1.128 41.936 40.800 0.013 0.000 1.064 494 D HN 0.804 nan 8.370 nan 0.000 0.509 495 E N 0.973 121.202 120.200 0.048 0.000 2.265 495 E HA -0.136 4.077 4.350 -0.229 0.000 0.196 495 E C 1.630 178.265 176.600 0.058 0.000 0.996 495 E CA 1.054 57.483 56.400 0.047 0.000 0.832 495 E CB 0.220 29.934 29.700 0.023 0.000 0.756 495 E HN 0.538 nan 8.360 nan 0.000 0.491 496 T N -2.086 112.511 114.554 0.072 0.000 3.065 496 T HA -0.066 4.146 4.350 -0.229 0.000 0.252 496 T C 0.515 175.273 174.700 0.096 0.000 1.099 496 T CA -0.408 61.731 62.100 0.065 0.000 1.063 496 T CB -0.288 68.611 68.868 0.052 0.000 0.948 496 T HN 0.085 nan 8.240 nan 0.000 0.506 497 Y N 2.812 123.115 120.300 0.005 0.000 2.620 497 Y HA 0.377 4.791 4.550 -0.227 0.000 0.330 497 Y C -0.361 175.543 175.900 0.007 0.000 1.186 497 Y CA -1.149 56.957 58.100 0.010 0.000 1.467 497 Y CB 0.352 38.819 38.460 0.013 0.000 1.262 497 Y HN -0.038 nan 8.280 nan 0.000 0.550 498 V N 9.990 129.536 119.914 -0.613 0.000 2.364 498 V HA 0.244 4.226 4.120 -0.229 0.000 0.272 498 V C -1.932 173.581 176.094 -0.968 0.000 1.036 498 V CA -1.956 59.994 62.300 -0.583 0.000 0.880 498 V CB 0.773 32.425 31.823 -0.285 0.000 0.991 498 V HN 0.767 nan 8.190 nan 0.000 0.460 499 P HA 0.037 nan 4.420 nan 0.000 0.263 499 P C -0.062 177.106 177.300 -0.219 0.000 1.175 499 P CA 0.219 63.071 63.100 -0.414 0.000 0.761 499 P CB 0.530 32.088 31.700 -0.236 0.000 0.794 500 K N 2.138 122.541 120.400 0.005 0.000 2.120 500 K HA 0.163 4.346 4.320 -0.229 0.000 0.245 500 K C 0.174 176.926 176.600 0.253 0.000 1.024 500 K CA -0.347 56.035 56.287 0.159 0.000 0.906 500 K CB 0.455 33.132 32.500 0.295 0.000 1.051 500 K HN 0.409 nan 8.250 nan 0.000 0.491 501 E N 1.661 122.033 120.200 0.287 0.000 2.171 501 E HA 0.098 4.311 4.350 -0.229 0.000 0.271 501 E C -0.639 176.170 176.600 0.350 0.000 0.916 501 E CA -0.651 55.981 56.400 0.388 0.000 0.774 501 E CB 0.933 30.747 29.700 0.190 0.000 1.128 501 E HN 0.395 nan 8.360 nan 0.000 0.403 502 F N 2.486 122.515 119.950 0.131 0.000 2.646 502 F HA 0.033 4.423 4.527 -0.228 0.000 0.363 502 F C 0.424 176.181 175.800 -0.071 0.000 1.143 502 F CA 0.721 58.555 58.000 -0.277 0.000 1.356 502 F CB 0.243 38.992 39.000 -0.417 0.000 1.055 502 F HN 0.495 nan 8.300 nan 0.000 0.606 503 N N 3.443 121.637 118.700 -0.843 0.000 2.480 503 N HA 0.590 5.192 4.740 -0.229 0.000 0.289 503 N C 0.421 175.413 175.510 -0.862 0.000 1.073 503 N CA -0.381 52.376 53.050 -0.488 0.000 0.885 503 N CB 1.234 39.605 38.487 -0.192 0.000 1.421 503 N HN 1.056 nan 8.380 nan 0.000 0.503 504 A N 0.759 123.413 122.820 -0.277 0.000 1.869 504 A HA -0.073 4.110 4.320 -0.229 0.000 0.218 504 A C 2.368 179.936 177.584 -0.027 0.000 1.203 504 A CA 3.208 55.261 52.037 0.028 0.000 0.638 504 A CB -1.264 17.846 19.000 0.184 0.000 0.831 504 A HN 1.444 nan 8.150 nan 0.000 0.450 505 E N -1.143 119.040 120.200 -0.028 0.000 2.114 505 E HA -0.254 3.959 4.350 -0.229 0.000 0.199 505 E C 2.000 178.584 176.600 -0.026 0.000 1.008 505 E CA 2.350 58.743 56.400 -0.011 0.000 0.810 505 E CB -1.919 27.770 29.700 -0.018 0.000 0.739 505 E HN 0.696 nan 8.360 nan 0.000 0.456 506 T N -0.267 114.245 114.554 -0.070 0.000 2.759 506 T HA -0.038 4.174 4.350 -0.229 0.000 0.269 506 T C 0.736 175.293 174.700 -0.239 0.000 1.042 506 T CA 1.328 63.334 62.100 -0.156 0.000 1.140 506 T CB -0.275 68.490 68.868 -0.172 0.000 0.864 506 T HN 0.455 nan 8.240 nan 0.000 0.455 507 F N 1.320 121.165 119.950 -0.175 0.000 2.850 507 F HA 0.326 4.717 4.527 -0.227 0.000 0.306 507 F C 0.470 176.337 175.800 0.112 0.000 1.162 507 F CA -0.729 57.278 58.000 0.011 0.000 1.327 507 F CB -0.272 38.780 39.000 0.087 0.000 0.953 507 F HN -0.188 nan 8.300 nan 0.000 0.507 508 T N 1.179 115.851 114.554 0.197 0.000 2.853 508 T HA 0.422 4.635 4.350 -0.229 0.000 0.317 508 T C -0.081 174.700 174.700 0.134 0.000 1.059 508 T CA -0.214 61.978 62.100 0.154 0.000 0.954 508 T CB -0.403 68.524 68.868 0.098 0.000 0.994 508 T HN 0.139 nan 8.240 nan 0.000 0.479 509 F N 1.174 121.217 119.950 0.155 0.000 2.421 509 F HA 0.641 5.030 4.527 -0.229 0.000 0.358 509 F C 0.730 176.560 175.800 0.050 0.000 1.115 509 F CA -1.488 56.590 58.000 0.130 0.000 1.160 509 F CB -1.134 37.923 39.000 0.095 0.000 1.123 509 F HN 1.025 nan 8.300 nan 0.000 0.508 510 H N 0.880 119.979 119.070 0.050 0.000 2.530 510 H HA 0.777 5.195 4.556 -0.229 0.000 0.342 510 H C 1.395 176.733 175.328 0.018 0.000 1.312 510 H CA -0.074 55.990 56.048 0.026 0.000 1.376 510 H CB 1.168 30.947 29.762 0.027 0.000 1.692 510 H HN 1.445 nan 8.280 nan 0.000 0.622 511 A N -0.636 122.191 122.820 0.011 0.000 2.119 511 A HA 0.152 4.334 4.320 -0.229 0.000 0.216 511 A C 2.140 179.732 177.584 0.013 0.000 1.152 511 A CA 1.663 53.704 52.037 0.007 0.000 0.708 511 A CB -1.355 17.647 19.000 0.004 0.000 0.805 511 A HN 1.068 nan 8.150 nan 0.000 0.460 512 D N -0.599 119.812 120.400 0.018 0.000 2.351 512 D HA 0.105 4.608 4.640 -0.229 0.000 0.216 512 D C 1.586 177.900 176.300 0.025 0.000 0.968 512 D CA 1.727 55.738 54.000 0.019 0.000 0.899 512 D CB -0.978 39.834 40.800 0.020 0.000 0.907 512 D HN 0.825 nan 8.370 nan 0.000 0.514 513 I N -0.562 120.027 120.570 0.032 0.000 3.111 513 I HA 0.104 4.136 4.170 -0.229 0.000 0.272 513 I C 2.665 178.800 176.117 0.030 0.000 1.268 513 I CA 1.254 62.580 61.300 0.043 0.000 1.467 513 I CB -1.356 36.686 38.000 0.070 0.000 1.087 513 I HN 0.643 nan 8.210 nan 0.000 0.467 514 c N -0.950 117.661 118.600 0.018 0.000 2.492 514 c HA -0.044 4.389 4.570 -0.229 0.000 0.279 514 c C 3.011 177.107 174.090 0.010 0.000 1.335 514 c CA 1.479 57.814 56.329 0.011 0.000 1.734 514 c CB -1.025 41.488 42.510 0.005 0.000 2.027 514 c HN 0.698 nan 8.230 nan 0.000 0.496 515 T N 1.056 115.617 114.554 0.012 0.000 2.904 515 T HA 0.057 4.269 4.350 -0.229 0.000 0.267 515 T C 0.851 175.558 174.700 0.012 0.000 1.059 515 T CA 1.319 63.425 62.100 0.011 0.000 1.137 515 T CB -0.663 68.212 68.868 0.012 0.000 0.879 515 T HN 0.478 nan 8.240 nan 0.000 0.467 516 L N 3.209 124.441 121.223 0.015 0.000 2.490 516 L HA 0.602 4.805 4.340 -0.229 0.000 0.274 516 L C 1.038 177.915 176.870 0.012 0.000 1.201 516 L CA -0.041 54.809 54.840 0.016 0.000 0.869 516 L CB -0.869 41.204 42.059 0.023 0.000 1.123 516 L HN 0.655 nan 8.230 nan 0.000 0.484 517 S N 0.830 116.536 115.700 0.009 0.000 2.572 517 S HA 0.012 4.344 4.470 -0.229 0.000 0.262 517 S C 1.102 175.701 174.600 -0.001 0.000 1.375 517 S CA 0.691 58.893 58.200 0.004 0.000 0.996 517 S CB 0.285 63.489 63.200 0.006 0.000 0.892 517 S HN 1.072 nan 8.310 nan 0.000 0.562 518 E N 1.642 121.835 120.200 -0.011 0.000 2.097 518 E HA -0.168 4.045 4.350 -0.229 0.000 0.196 518 E C 2.309 178.888 176.600 -0.035 0.000 1.000 518 E CA 2.495 58.878 56.400 -0.028 0.000 0.804 518 E CB -0.878 28.800 29.700 -0.038 0.000 0.740 518 E HN 0.806 nan 8.360 nan 0.000 0.454 519 K N 0.176 120.564 120.400 -0.020 0.000 2.025 519 K HA -0.040 4.142 4.320 -0.229 0.000 0.207 519 K C 2.336 178.938 176.600 0.005 0.000 1.049 519 K CA 2.074 58.355 56.287 -0.011 0.000 0.933 519 K CB -1.794 30.710 32.500 0.006 0.000 0.714 519 K HN 0.449 nan 8.250 nan 0.000 0.438 520 E N 0.547 120.753 120.200 0.010 0.000 2.396 520 E HA -0.124 4.089 4.350 -0.229 0.000 0.200 520 E C 2.308 178.925 176.600 0.029 0.000 1.023 520 E CA 2.025 58.435 56.400 0.018 0.000 0.857 520 E CB -1.168 28.542 29.700 0.017 0.000 0.775 520 E HN 0.815 nan 8.360 nan 0.000 0.525 521 R N 0.245 120.760 120.500 0.025 0.000 2.048 521 R HA -0.018 4.184 4.340 -0.229 0.000 0.224 521 R C 2.485 178.823 176.300 0.063 0.000 1.163 521 R CA 1.517 57.648 56.100 0.051 0.000 0.956 521 R CB -1.038 29.280 30.300 0.031 0.000 0.849 521 R HN 0.645 nan 8.270 nan 0.000 0.435 522 Q N 0.418 120.227 119.800 0.015 0.000 2.152 522 Q HA -0.096 4.107 4.340 -0.229 0.000 0.206 522 Q C 2.254 178.317 176.000 0.106 0.000 0.985 522 Q CA 1.850 57.686 55.803 0.055 0.000 0.863 522 Q CB -0.479 28.233 28.738 -0.044 0.000 0.904 522 Q HN 0.606 nan 8.270 nan 0.000 0.422 523 I N 0.863 121.470 120.570 0.063 0.000 2.264 523 I HA -0.316 3.716 4.170 -0.229 0.000 0.248 523 I C 2.801 178.921 176.117 0.005 0.000 1.111 523 I CA 1.669 62.991 61.300 0.037 0.000 1.382 523 I CB -0.545 37.469 38.000 0.024 0.000 1.060 523 I HN 0.278 nan 8.210 nan 0.000 0.418 524 K N 1.334 121.745 120.400 0.018 0.000 2.031 524 K HA -0.117 4.065 4.320 -0.229 0.000 0.205 524 K C 1.996 178.523 176.600 -0.122 0.000 1.049 524 K CA 1.205 57.487 56.287 -0.008 0.000 0.939 524 K CB -0.717 31.836 32.500 0.089 0.000 0.717 524 K HN 0.344 nan 8.250 nan 0.000 0.438 525 K N 0.464 120.815 120.400 -0.082 0.000 2.209 525 K HA -0.139 4.043 4.320 -0.229 0.000 0.204 525 K C 2.431 178.905 176.600 -0.210 0.000 1.048 525 K CA 1.438 57.553 56.287 -0.286 0.000 0.940 525 K CB 0.041 32.549 32.500 0.013 0.000 0.729 525 K HN 0.540 nan 8.250 nan 0.000 0.451 526 Q N -0.071 119.680 119.800 -0.081 0.000 2.187 526 Q HA -0.056 4.146 4.340 -0.229 0.000 0.199 526 Q C 1.854 177.781 176.000 -0.123 0.000 0.957 526 Q CA 1.487 57.245 55.803 -0.076 0.000 0.857 526 Q CB 0.088 28.817 28.738 -0.014 0.000 0.929 526 Q HN 0.369 nan 8.270 nan 0.000 0.453 527 T N 0.250 114.720 114.554 -0.141 0.000 2.951 527 T HA 0.001 4.213 4.350 -0.229 0.000 0.268 527 T C 1.922 176.476 174.700 -0.243 0.000 1.073 527 T CA 0.929 62.933 62.100 -0.160 0.000 1.134 527 T CB -0.073 68.709 68.868 -0.142 0.000 0.884 527 T HN 0.272 nan 8.240 nan 0.000 0.479 528 A N 1.424 124.050 122.820 -0.324 0.000 1.930 528 A HA 0.186 4.368 4.320 -0.229 0.000 0.215 528 A C 2.187 179.615 177.584 -0.259 0.000 1.176 528 A CA 0.665 52.444 52.037 -0.429 0.000 0.632 528 A CB -0.695 17.939 19.000 -0.611 0.000 0.819 528 A HN 0.366 nan 8.150 nan 0.000 0.445 529 L N -0.073 121.035 121.223 -0.192 0.000 2.046 529 L HA -0.108 4.095 4.340 -0.229 0.000 0.208 529 L C 2.389 179.227 176.870 -0.053 0.000 1.077 529 L CA 1.719 56.503 54.840 -0.093 0.000 0.747 529 L CB -0.625 41.376 42.059 -0.096 0.000 0.896 529 L HN 0.160 nan 8.230 nan 0.000 0.432 530 V N -0.283 119.582 119.914 -0.081 0.000 2.237 530 V HA -0.261 3.722 4.120 -0.229 0.000 0.245 530 V C 2.637 178.722 176.094 -0.015 0.000 1.046 530 V CA 1.866 64.136 62.300 -0.051 0.000 1.007 530 V CB -0.559 31.221 31.823 -0.071 0.000 0.638 530 V HN 0.446 nan 8.190 nan 0.000 0.445 531 E N -0.029 120.126 120.200 -0.076 0.000 2.147 531 E HA -0.274 3.939 4.350 -0.229 0.000 0.199 531 E C 2.233 178.961 176.600 0.213 0.000 1.005 531 E CA 2.023 58.405 56.400 -0.030 0.000 0.810 531 E CB -0.799 28.674 29.700 -0.378 0.000 0.736 531 E HN 0.606 nan 8.360 nan 0.000 0.460 532 L N 0.523 121.878 121.223 0.220 0.000 2.005 532 L HA -0.113 4.090 4.340 -0.229 0.000 0.207 532 L C 2.955 179.987 176.870 0.269 0.000 1.072 532 L CA 2.022 57.070 54.840 0.347 0.000 0.744 532 L CB -1.658 40.567 42.059 0.278 0.000 0.895 532 L HN 0.098 nan 8.230 nan 0.000 0.433 533 V N -0.183 119.827 119.914 0.159 0.000 2.324 533 V HA -0.360 3.622 4.120 -0.229 0.000 0.250 533 V C 2.677 178.873 176.094 0.170 0.000 1.060 533 V CA 2.316 64.691 62.300 0.126 0.000 1.042 533 V CB -1.150 30.705 31.823 0.054 0.000 0.650 533 V HN 0.743 nan 8.190 nan 0.000 0.450 534 K N -0.947 119.562 120.400 0.182 0.000 2.442 534 K HA -0.196 3.987 4.320 -0.229 0.000 0.198 534 K C 2.048 178.884 176.600 0.393 0.000 1.044 534 K CA 1.374 57.814 56.287 0.254 0.000 0.948 534 K CB -0.195 32.432 32.500 0.212 0.000 0.762 534 K HN 0.564 nan 8.250 nan 0.000 0.472 535 H N 0.104 119.305 119.070 0.219 0.000 2.516 535 H HA 0.091 4.509 4.556 -0.229 0.000 0.284 535 H C 0.488 175.899 175.328 0.139 0.000 0.999 535 H CA 1.331 57.490 56.048 0.184 0.000 1.303 535 H CB 0.625 30.508 29.762 0.200 0.000 1.452 535 H HN 0.010 nan 8.280 nan 0.000 0.530 536 K N 0.480 120.984 120.400 0.174 0.000 2.954 536 K HA 0.311 4.493 4.320 -0.229 0.000 0.171 536 K C -2.438 174.222 176.600 0.100 0.000 1.079 536 K CA -1.213 55.123 56.287 0.082 0.000 0.908 536 K CB 0.092 32.644 32.500 0.087 0.000 1.142 536 K HN 0.137 nan 8.250 nan 0.000 0.613 537 P HA -0.277 nan 4.420 nan 0.000 0.217 537 P C 0.998 178.341 177.300 0.072 0.000 1.158 537 P CA 1.295 64.471 63.100 0.126 0.000 0.887 537 P CB 0.351 32.178 31.700 0.213 0.000 0.792 538 K N -0.900 119.535 120.400 0.057 0.000 2.504 538 K HA 0.126 4.308 4.320 -0.229 0.000 0.195 538 K C 1.128 177.745 176.600 0.029 0.000 1.036 538 K CA 0.232 56.539 56.287 0.034 0.000 0.984 538 K CB -0.867 31.646 32.500 0.023 0.000 0.788 538 K HN 0.146 nan 8.250 nan 0.000 0.488 539 A N 1.490 124.333 122.820 0.038 0.000 2.455 539 A HA 0.125 4.308 4.320 -0.229 0.000 0.244 539 A C 0.678 178.278 177.584 0.027 0.000 1.099 539 A CA 0.431 52.490 52.037 0.037 0.000 0.786 539 A CB 0.036 19.069 19.000 0.054 0.000 1.051 539 A HN 0.313 nan 8.150 nan 0.000 0.508 540 T N -2.485 112.083 114.554 0.024 0.000 2.932 540 T HA 0.587 4.800 4.350 -0.229 0.000 0.289 540 T C 1.122 175.831 174.700 0.013 0.000 1.039 540 T CA 0.370 62.479 62.100 0.015 0.000 1.024 540 T CB 1.471 70.346 68.868 0.013 0.000 1.090 540 T HN 1.143 nan 8.240 nan 0.000 0.496 541 K N 1.281 121.684 120.400 0.005 0.000 2.211 541 K HA -0.097 4.086 4.320 -0.229 0.000 0.204 541 K C 1.845 178.448 176.600 0.004 0.000 1.047 541 K CA 2.146 58.433 56.287 -0.000 0.000 0.935 541 K CB -1.119 31.377 32.500 -0.007 0.000 0.728 541 K HN 0.811 nan 8.250 nan 0.000 0.452 542 E N 0.820 121.025 120.200 0.008 0.000 2.017 542 E HA -0.202 4.010 4.350 -0.229 0.000 0.193 542 E C 2.314 178.924 176.600 0.016 0.000 0.997 542 E CA 1.571 57.977 56.400 0.011 0.000 0.804 542 E CB -0.518 29.188 29.700 0.011 0.000 0.757 542 E HN 0.806 nan 8.360 nan 0.000 0.448 543 Q N 0.583 120.396 119.800 0.021 0.000 2.030 543 Q HA -0.114 4.089 4.340 -0.229 0.000 0.204 543 Q C 2.572 178.594 176.000 0.036 0.000 0.986 543 Q CA 1.255 57.077 55.803 0.031 0.000 0.843 543 Q CB -0.348 28.411 28.738 0.036 0.000 0.904 543 Q HN 0.216 nan 8.270 nan 0.000 0.420 544 L N 0.659 121.902 121.223 0.033 0.000 2.013 544 L HA -0.310 3.892 4.340 -0.229 0.000 0.212 544 L C 2.925 179.809 176.870 0.024 0.000 1.073 544 L CA 1.988 56.847 54.840 0.032 0.000 0.753 544 L CB -1.014 41.056 42.059 0.018 0.000 0.890 544 L HN 0.297 nan 8.230 nan 0.000 0.432 545 K N 0.292 120.700 120.400 0.013 0.000 2.002 545 K HA -0.080 4.102 4.320 -0.229 0.000 0.209 545 K C 2.232 178.843 176.600 0.019 0.000 1.048 545 K CA 1.552 57.845 56.287 0.009 0.000 0.930 545 K CB -1.456 31.047 32.500 0.004 0.000 0.714 545 K HN 0.427 nan 8.250 nan 0.000 0.438 546 A N 0.440 123.273 122.820 0.022 0.000 2.084 546 A HA 0.021 4.204 4.320 -0.229 0.000 0.221 546 A C 2.483 180.086 177.584 0.032 0.000 1.161 546 A CA 1.941 53.993 52.037 0.025 0.000 0.653 546 A CB -0.406 18.610 19.000 0.027 0.000 0.802 546 A HN 0.362 nan 8.150 nan 0.000 0.457 547 V N -1.049 118.892 119.914 0.046 0.000 2.685 547 V HA -0.115 3.867 4.120 -0.229 0.000 0.244 547 V C 2.496 178.626 176.094 0.060 0.000 1.054 547 V CA 1.218 63.560 62.300 0.070 0.000 1.076 547 V CB -0.470 31.415 31.823 0.103 0.000 0.725 547 V HN 0.431 nan 8.190 nan 0.000 0.467 548 M N 1.281 120.910 119.600 0.048 0.000 2.082 548 M HA -0.193 4.150 4.480 -0.229 0.000 0.258 548 M C 2.306 178.634 176.300 0.046 0.000 1.071 548 M CA 2.377 57.709 55.300 0.053 0.000 1.103 548 M CB -1.461 31.160 32.600 0.034 0.000 1.307 548 M HN 0.659 nan 8.290 nan 0.000 0.409 549 D N -0.305 120.106 120.400 0.018 0.000 2.203 549 D HA -0.264 4.239 4.640 -0.229 0.000 0.199 549 D C 1.452 177.692 176.300 -0.100 0.000 0.997 549 D CA 1.909 55.903 54.000 -0.010 0.000 0.863 549 D CB -0.661 40.135 40.800 -0.006 0.000 0.928 549 D HN 0.316 nan 8.370 nan 0.000 0.458 550 D N -0.440 119.870 120.400 -0.150 0.000 2.097 550 D HA -0.172 4.331 4.640 -0.229 0.000 0.195 550 D C 1.851 177.587 176.300 -0.940 0.000 0.989 550 D CA 0.641 54.393 54.000 -0.412 0.000 0.827 550 D CB -0.758 39.893 40.800 -0.248 0.000 0.966 550 D HN 0.234 nan 8.370 nan 0.000 0.456 551 F N 1.140 120.659 119.950 -0.718 0.000 2.154 551 F HA -0.214 4.176 4.527 -0.228 0.000 0.301 551 F C 2.169 177.764 175.800 -0.342 0.000 1.087 551 F CA 1.621 59.295 58.000 -0.544 0.000 1.274 551 F CB -0.394 38.562 39.000 -0.073 0.000 1.009 551 F HN 0.004 nan 8.300 nan 0.000 0.485 552 A N 0.248 123.005 122.820 -0.106 0.000 1.892 552 A HA -0.181 4.002 4.320 -0.229 0.000 0.218 552 A C 2.454 179.938 177.584 -0.167 0.000 1.188 552 A CA 2.115 54.110 52.037 -0.070 0.000 0.631 552 A CB -1.608 17.378 19.000 -0.024 0.000 0.822 552 A HN 0.488 nan 8.150 nan 0.000 0.447 553 A N -0.764 121.900 122.820 -0.261 0.000 1.883 553 A HA -0.041 4.142 4.320 -0.229 0.000 0.217 553 A C 1.866 179.427 177.584 -0.038 0.000 1.186 553 A CA 1.739 53.681 52.037 -0.159 0.000 0.624 553 A CB -0.843 18.058 19.000 -0.165 0.000 0.822 553 A HN 0.481 nan 8.150 nan 0.000 0.444 554 F N 0.021 119.872 119.950 -0.164 0.000 2.250 554 F HA -0.122 4.267 4.527 -0.229 0.000 0.301 554 F C 2.325 177.974 175.800 -0.251 0.000 1.077 554 F CA 0.711 58.571 58.000 -0.233 0.000 1.348 554 F CB -1.254 37.519 39.000 -0.380 0.000 1.040 554 F HN 0.054 nan 8.300 nan 0.000 0.509 555 V N 0.647 120.494 119.914 -0.111 0.000 2.379 555 V HA -0.194 3.789 4.120 -0.229 0.000 0.243 555 V C 2.249 178.320 176.094 -0.039 0.000 1.035 555 V CA 1.692 63.933 62.300 -0.098 0.000 1.035 555 V CB -0.865 30.897 31.823 -0.101 0.000 0.673 555 V HN 0.344 nan 8.190 nan 0.000 0.457 556 E N 0.644 120.825 120.200 -0.032 0.000 2.058 556 E HA -0.231 3.981 4.350 -0.229 0.000 0.194 556 E C 1.969 178.567 176.600 -0.004 0.000 0.997 556 E CA 1.125 57.516 56.400 -0.016 0.000 0.801 556 E CB -0.292 29.398 29.700 -0.017 0.000 0.746 556 E HN 0.427 nan 8.360 nan 0.000 0.450 557 K N 1.156 121.562 120.400 0.010 0.000 1.978 557 K HA -0.108 4.075 4.320 -0.229 0.000 0.221 557 K C 2.393 178.997 176.600 0.005 0.000 1.036 557 K CA 1.176 57.473 56.287 0.017 0.000 0.996 557 K CB -1.283 31.242 32.500 0.041 0.000 0.755 557 K HN 0.233 nan 8.250 nan 0.000 0.445 558 c N 1.391 119.992 118.600 0.002 0.000 2.304 558 c HA -0.275 4.158 4.570 -0.229 0.000 0.269 558 c C 3.150 177.236 174.090 -0.007 0.000 1.136 558 c CA 1.153 57.477 56.329 -0.009 0.000 1.796 558 c CB -1.189 41.309 42.510 -0.021 0.000 2.017 558 c HN 0.580 nan 8.230 nan 0.000 0.431 559 c N 0.018 118.613 118.600 -0.009 0.000 2.398 559 c HA -0.031 4.401 4.570 -0.229 0.000 0.282 559 c C 1.719 175.807 174.090 -0.003 0.000 1.275 559 c CA 1.869 58.194 56.329 -0.006 0.000 1.797 559 c CB -1.721 40.784 42.510 -0.008 0.000 1.991 559 c HN 0.794 nan 8.230 nan 0.000 0.505 560 K N -1.083 119.315 120.400 -0.003 0.000 3.029 560 K HA 0.701 4.884 4.320 -0.229 0.000 0.169 560 K C -0.446 176.153 176.600 -0.000 0.000 1.090 560 K CA 0.586 56.872 56.287 -0.001 0.000 0.883 560 K CB 0.520 33.019 32.500 -0.002 0.000 1.080 560 K HN 0.478 nan 8.250 nan 0.000 0.613 561 A N 0.712 123.532 122.820 -0.001 0.000 3.124 561 A HA 0.645 4.827 4.320 -0.229 0.000 0.295 561 A C 0.330 177.913 177.584 -0.001 0.000 1.199 561 A CA 0.874 52.911 52.037 -0.000 0.000 0.845 561 A CB -1.099 17.901 19.000 -0.000 0.000 1.381 561 A HN 2.062 nan 8.150 nan 0.000 0.537 562 D N -0.315 120.084 120.400 -0.000 0.000 4.443 562 D HA 0.254 4.757 4.640 -0.229 0.000 0.302 562 D C 0.295 176.594 176.300 -0.001 0.000 2.380 562 D CA 1.270 55.270 54.000 -0.000 0.000 1.094 562 D CB -1.127 39.673 40.800 -0.001 0.000 1.105 562 D HN 2.132 nan 8.370 nan 0.000 1.285 563 D N 0.678 121.078 120.400 -0.000 0.000 2.482 563 D HA 0.456 4.958 4.640 -0.229 0.000 0.244 563 D C 0.335 176.634 176.300 -0.001 0.000 1.242 563 D CA 0.938 54.938 54.000 0.000 0.000 1.097 563 D CB -0.554 40.246 40.800 0.001 0.000 1.109 563 D HN 0.637 nan 8.370 nan 0.000 0.510 564 K N 0.844 121.243 120.400 -0.002 0.000 2.572 564 K HA 0.531 4.713 4.320 -0.229 0.000 0.244 564 K C 0.741 177.339 176.600 -0.003 0.000 0.965 564 K CA -0.171 56.114 56.287 -0.004 0.000 0.943 564 K CB 1.781 34.277 32.500 -0.006 0.000 1.154 564 K HN 0.374 nan 8.250 nan 0.000 0.447 565 E N 0.933 121.132 120.200 -0.002 0.000 2.489 565 E HA -0.050 4.162 4.350 -0.229 0.000 0.204 565 E C 1.278 177.877 176.600 -0.002 0.000 1.006 565 E CA 0.687 57.087 56.400 -0.000 0.000 0.936 565 E CB 0.344 30.045 29.700 0.002 0.000 1.002 565 E HN 0.625 nan 8.360 nan 0.000 0.488 566 T N -3.612 110.939 114.554 -0.005 0.000 3.037 566 T HA -0.043 4.169 4.350 -0.229 0.000 0.251 566 T C 2.119 176.810 174.700 -0.014 0.000 1.079 566 T CA 0.860 62.956 62.100 -0.007 0.000 1.067 566 T CB -0.653 68.212 68.868 -0.006 0.000 0.948 566 T HN 0.489 nan 8.240 nan 0.000 0.496 567 c N 1.189 119.779 118.600 -0.016 0.000 2.403 567 c HA -0.042 4.390 4.570 -0.229 0.000 0.277 567 c C 2.793 176.860 174.090 -0.038 0.000 1.248 567 c CA 1.364 57.678 56.329 -0.026 0.000 1.762 567 c CB -1.992 40.505 42.510 -0.022 0.000 2.014 567 c HN 0.628 nan 8.230 nan 0.000 0.486 568 F N 0.388 120.322 119.950 -0.027 0.000 2.192 568 F HA 0.132 4.522 4.527 -0.229 0.000 0.301 568 F C 2.500 178.283 175.800 -0.028 0.000 1.079 568 F CA 2.194 60.178 58.000 -0.027 0.000 1.303 568 F CB -1.457 37.540 39.000 -0.005 0.000 1.024 568 F HN 0.624 nan 8.300 nan 0.000 0.494 569 A N -0.599 122.209 122.820 -0.021 0.000 1.943 569 A HA 0.327 4.509 4.320 -0.229 0.000 0.213 569 A C 2.014 179.578 177.584 -0.034 0.000 1.181 569 A CA 1.701 53.730 52.037 -0.015 0.000 0.653 569 A CB -1.179 17.819 19.000 -0.004 0.000 0.833 569 A HN 0.791 nan 8.150 nan 0.000 0.451 570 E N 0.248 120.423 120.200 -0.042 0.000 2.021 570 E HA -0.149 4.063 4.350 -0.229 0.000 0.189 570 E C 1.791 178.338 176.600 -0.088 0.000 0.980 570 E CA 1.504 57.873 56.400 -0.051 0.000 0.803 570 E CB -0.794 28.883 29.700 -0.037 0.000 0.766 570 E HN 0.685 nan 8.360 nan 0.000 0.449 571 E N 0.103 120.241 120.200 -0.104 0.000 2.153 571 E HA -0.025 4.188 4.350 -0.229 0.000 0.194 571 E C 2.198 178.609 176.600 -0.316 0.000 0.988 571 E CA 1.297 57.595 56.400 -0.171 0.000 0.811 571 E CB -0.534 29.090 29.700 -0.128 0.000 0.746 571 E HN 0.454 nan 8.360 nan 0.000 0.466 572 G N -0.348 108.316 108.800 -0.226 0.000 2.443 572 G HA2 -0.279 3.543 3.960 -0.229 0.000 0.219 572 G HA3 -0.279 3.543 3.960 -0.229 0.000 0.219 572 G C 1.748 176.544 174.900 -0.174 0.000 1.131 572 G CA 1.163 46.129 45.100 -0.223 0.000 0.775 572 G HN 0.433 nan 8.290 nan 0.000 0.547 573 K N 0.445 120.770 120.400 -0.125 0.000 2.025 573 K HA 0.100 4.283 4.320 -0.229 0.000 0.207 573 K C 2.621 179.151 176.600 -0.117 0.000 1.049 573 K CA 2.154 58.389 56.287 -0.087 0.000 0.933 573 K CB -1.256 31.208 32.500 -0.060 0.000 0.714 573 K HN 0.572 nan 8.250 nan 0.000 0.438 574 K N 0.476 120.786 120.400 -0.151 0.000 2.209 574 K HA 0.280 4.463 4.320 -0.229 0.000 0.204 574 K C 2.769 179.265 176.600 -0.173 0.000 1.048 574 K CA 2.011 58.219 56.287 -0.131 0.000 0.940 574 K CB -1.701 30.730 32.500 -0.116 0.000 0.729 574 K HN 0.803 nan 8.250 nan 0.000 0.451 575 L N 0.210 121.198 121.223 -0.392 0.000 1.948 575 L HA -0.008 4.195 4.340 -0.229 0.000 0.212 575 L C 2.831 179.685 176.870 -0.027 0.000 1.074 575 L CA 2.413 56.968 54.840 -0.475 0.000 0.753 575 L CB -1.513 39.996 42.059 -0.916 0.000 0.888 575 L HN 0.317 nan 8.230 nan 0.000 0.432 576 V N 0.385 120.289 119.914 -0.016 0.000 2.469 576 V HA -0.273 3.710 4.120 -0.229 0.000 0.251 576 V C 3.124 179.169 176.094 -0.081 0.000 1.064 576 V CA 1.894 64.195 62.300 0.000 0.000 1.066 576 V CB -1.459 30.359 31.823 -0.008 0.000 0.667 576 V HN 0.868 nan 8.190 nan 0.000 0.461 577 A N 0.315 123.091 122.820 -0.073 0.000 1.851 577 A HA -0.170 4.012 4.320 -0.229 0.000 0.216 577 A C 2.443 180.010 177.584 -0.028 0.000 1.195 577 A CA 2.356 54.351 52.037 -0.069 0.000 0.622 577 A CB -0.990 17.978 19.000 -0.054 0.000 0.831 577 A HN 0.600 nan 8.150 nan 0.000 0.444 578 A N -0.971 121.862 122.820 0.022 0.000 2.015 578 A HA 0.002 4.184 4.320 -0.229 0.000 0.219 578 A C 2.399 180.032 177.584 0.082 0.000 1.163 578 A CA 1.944 54.021 52.037 0.066 0.000 0.646 578 A CB -0.687 18.390 19.000 0.128 0.000 0.806 578 A HN 0.457 nan 8.150 nan 0.000 0.448 579 S N -1.080 114.678 115.700 0.097 0.000 2.355 579 S HA -0.079 4.254 4.470 -0.229 0.000 0.222 579 S C 2.560 177.176 174.600 0.027 0.000 1.031 579 S CA 1.595 59.861 58.200 0.109 0.000 0.993 579 S CB -0.542 62.753 63.200 0.160 0.000 0.859 579 S HN 0.873 nan 8.310 nan 0.000 0.453 580 Q N 0.794 120.559 119.800 -0.059 0.000 2.291 580 Q HA 0.144 4.347 4.340 -0.229 0.000 0.206 580 Q C 2.194 178.170 176.000 -0.040 0.000 0.976 580 Q CA 1.603 57.345 55.803 -0.102 0.000 0.875 580 Q CB -1.136 27.482 28.738 -0.200 0.000 0.927 580 Q HN 0.670 nan 8.270 nan 0.000 0.450 581 A N 0.971 123.782 122.820 -0.015 0.000 1.832 581 A HA 0.480 4.663 4.320 -0.229 0.000 0.214 581 A C 2.066 179.660 177.584 0.016 0.000 1.204 581 A CA 1.096 53.132 52.037 -0.000 0.000 0.606 581 A CB -1.150 17.855 19.000 0.010 0.000 0.849 581 A HN 1.264 nan 8.150 nan 0.000 0.445 582 A N 0.000 122.841 122.820 0.035 0.000 2.254 582 A HA 0.000 4.183 4.320 -0.229 0.000 0.244 582 A CA 0.000 52.062 52.037 0.042 0.000 0.836 582 A CB 0.000 19.036 19.000 0.060 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486