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 1e78_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.659 174.600 0.098 0.000 1.055 5 S CA 0.000 58.230 58.200 0.051 0.000 1.107 5 S CB 0.000 63.216 63.200 0.026 0.000 0.593 6 E N 1.668 121.928 120.200 0.098 0.000 2.288 6 E HA 0.261 4.535 4.350 -0.127 0.000 0.200 6 E C 1.578 178.283 176.600 0.175 0.000 0.880 6 E CA 1.159 57.650 56.400 0.152 0.000 0.971 6 E CB -0.211 29.544 29.700 0.092 0.000 0.954 6 E HN 0.423 nan 8.360 nan 0.000 0.489 7 V N 1.542 121.523 119.914 0.112 0.000 2.453 7 V HA -0.281 3.763 4.120 -0.127 0.000 0.252 7 V C 2.356 178.567 176.094 0.195 0.000 1.068 7 V CA 1.949 64.349 62.300 0.168 0.000 1.070 7 V CB -0.990 30.827 31.823 -0.009 0.000 0.664 7 V HN 0.428 nan 8.190 nan 0.000 0.461 8 A N -0.984 121.897 122.820 0.102 0.000 1.897 8 A HA -0.219 4.025 4.320 -0.127 0.000 0.215 8 A C 2.200 179.900 177.584 0.194 0.000 1.181 8 A CA 1.610 53.691 52.037 0.073 0.000 0.620 8 A CB -0.754 18.250 19.000 0.007 0.000 0.821 8 A HN 0.632 nan 8.150 nan 0.000 0.443 9 H N 0.710 119.839 119.070 0.097 0.000 2.257 9 H HA -0.158 4.323 4.556 -0.125 0.000 0.292 9 H C 2.232 177.649 175.328 0.148 0.000 1.075 9 H CA 2.272 58.382 56.048 0.103 0.000 1.212 9 H CB -0.170 29.643 29.762 0.084 0.000 1.354 9 H HN 0.258 nan 8.280 nan 0.000 0.497 10 R N -0.191 120.531 120.500 0.370 0.000 2.103 10 R HA -0.154 4.110 4.340 -0.127 0.000 0.242 10 R C 2.599 179.116 176.300 0.363 0.000 1.142 10 R CA 1.096 57.377 56.100 0.302 0.000 0.960 10 R CB -1.668 28.799 30.300 0.278 0.000 0.858 10 R HN 0.344 nan 8.270 nan 0.000 0.439 11 F N 2.069 122.149 119.950 0.216 0.000 2.065 11 F HA -0.316 4.135 4.527 -0.125 0.000 0.298 11 F C 2.809 178.628 175.800 0.031 0.000 1.112 11 F CA 2.921 60.913 58.000 -0.014 0.000 1.212 11 F CB -0.539 38.280 39.000 -0.302 0.000 0.975 11 F HN 0.155 nan 8.300 nan 0.000 0.476 12 K N -0.007 120.588 120.400 0.325 0.000 2.103 12 K HA -0.195 4.049 4.320 -0.127 0.000 0.207 12 K C 1.784 178.472 176.600 0.146 0.000 1.048 12 K CA 2.082 58.496 56.287 0.212 0.000 0.930 12 K CB -1.348 31.239 32.500 0.145 0.000 0.716 12 K HN 0.514 nan 8.250 nan 0.000 0.444 13 D N 0.197 120.697 120.400 0.166 0.000 2.103 13 D HA -0.019 4.545 4.640 -0.127 0.000 0.199 13 D C 2.056 178.408 176.300 0.085 0.000 0.978 13 D CA 1.475 55.553 54.000 0.131 0.000 0.829 13 D CB 0.086 40.984 40.800 0.164 0.000 0.981 13 D HN 0.436 nan 8.370 nan 0.000 0.464 14 L N 0.158 121.427 121.223 0.078 0.000 2.209 14 L HA 0.192 4.456 4.340 -0.127 0.000 0.207 14 L C 1.403 178.259 176.870 -0.022 0.000 1.094 14 L CA 0.471 55.335 54.840 0.039 0.000 0.790 14 L CB -0.443 41.656 42.059 0.068 0.000 0.932 14 L HN 0.076 nan 8.230 nan 0.000 0.447 15 G N 0.429 109.157 108.800 -0.120 0.000 2.712 15 G HA2 -0.273 3.611 3.960 -0.127 0.000 0.683 15 G HA3 -0.273 3.611 3.960 -0.127 0.000 0.683 15 G C 0.217 174.857 174.900 -0.433 0.000 1.320 15 G CA 0.095 45.071 45.100 -0.206 0.000 0.847 15 G HN 0.221 nan 8.290 nan 0.000 0.553 16 E N -0.362 119.615 120.200 -0.371 0.000 2.038 16 E HA -0.160 4.114 4.350 -0.127 0.000 0.195 16 E C 2.100 178.650 176.600 -0.083 0.000 1.000 16 E CA 2.037 58.258 56.400 -0.298 0.000 0.803 16 E CB -0.165 29.526 29.700 -0.015 0.000 0.750 16 E HN 0.644 nan 8.360 nan 0.000 0.448 17 E N -0.145 120.042 120.200 -0.022 0.000 2.013 17 E HA -0.282 3.992 4.350 -0.127 0.000 0.202 17 E C 1.961 178.585 176.600 0.040 0.000 1.018 17 E CA 1.732 58.149 56.400 0.028 0.000 0.834 17 E CB -0.133 29.587 29.700 0.032 0.000 0.770 17 E HN 0.249 nan 8.360 nan 0.000 0.459 18 N N 0.138 118.854 118.700 0.027 0.000 2.069 18 N HA -0.191 4.473 4.740 -0.127 0.000 0.191 18 N C 1.711 177.245 175.510 0.039 0.000 1.031 18 N CA 1.242 54.310 53.050 0.030 0.000 0.852 18 N CB -0.806 37.694 38.487 0.022 0.000 1.018 18 N HN 0.218 nan 8.380 nan 0.000 0.423 19 F N 2.106 121.971 119.950 -0.142 0.000 2.091 19 F HA -0.193 4.260 4.527 -0.124 0.000 0.299 19 F C 2.138 177.913 175.800 -0.043 0.000 1.103 19 F CA 1.627 59.542 58.000 -0.141 0.000 1.228 19 F CB -0.128 38.635 39.000 -0.394 0.000 0.984 19 F HN -0.063 nan 8.300 nan 0.000 0.477 20 K N -0.151 120.415 120.400 0.277 0.000 2.097 20 K HA -0.119 4.125 4.320 -0.127 0.000 0.206 20 K C 2.270 178.922 176.600 0.087 0.000 1.049 20 K CA 1.011 57.428 56.287 0.217 0.000 0.933 20 K CB -0.434 32.174 32.500 0.180 0.000 0.717 20 K HN 0.394 nan 8.250 nan 0.000 0.442 21 A N 1.286 124.139 122.820 0.055 0.000 1.854 21 A HA -0.105 4.139 4.320 -0.127 0.000 0.214 21 A C 2.091 179.671 177.584 -0.006 0.000 1.192 21 A CA 1.034 53.091 52.037 0.034 0.000 0.611 21 A CB -0.593 18.428 19.000 0.034 0.000 0.832 21 A HN 0.144 nan 8.150 nan 0.000 0.442 22 L N -0.324 120.868 121.223 -0.051 0.000 2.012 22 L HA -0.185 4.079 4.340 -0.127 0.000 0.210 22 L C 2.492 179.313 176.870 -0.082 0.000 1.073 22 L CA 1.288 56.071 54.840 -0.096 0.000 0.748 22 L CB -0.705 41.268 42.059 -0.144 0.000 0.891 22 L HN 0.235 nan 8.230 nan 0.000 0.431 23 V N 0.047 119.917 119.914 -0.073 0.000 2.568 23 V HA -0.274 3.770 4.120 -0.127 0.000 0.253 23 V C 2.332 178.625 176.094 0.332 0.000 1.072 23 V CA 1.629 64.025 62.300 0.160 0.000 1.084 23 V CB -0.418 31.496 31.823 0.152 0.000 0.676 23 V HN 0.357 nan 8.190 nan 0.000 0.469 24 L N -0.006 121.304 121.223 0.145 0.000 2.044 24 L HA -0.054 4.210 4.340 -0.127 0.000 0.205 24 L C 2.154 179.075 176.870 0.085 0.000 1.075 24 L CA 1.810 56.726 54.840 0.126 0.000 0.747 24 L CB -0.464 41.641 42.059 0.078 0.000 0.903 24 L HN 0.207 nan 8.230 nan 0.000 0.435 25 I N 0.048 120.616 120.570 -0.002 0.000 2.226 25 I HA -0.293 3.800 4.170 -0.127 0.000 0.245 25 I C 2.649 178.680 176.117 -0.143 0.000 1.100 25 I CA 1.231 62.475 61.300 -0.093 0.000 1.374 25 I CB -0.741 37.184 38.000 -0.124 0.000 1.057 25 I HN 0.391 nan 8.210 nan 0.000 0.413 26 A N 0.697 123.426 122.820 -0.151 0.000 1.883 26 A HA -0.217 4.027 4.320 -0.127 0.000 0.217 26 A C 2.122 179.534 177.584 -0.287 0.000 1.186 26 A CA 1.646 53.483 52.037 -0.334 0.000 0.624 26 A CB -1.031 17.709 19.000 -0.432 0.000 0.822 26 A HN 0.343 nan 8.150 nan 0.000 0.444 27 F N -0.018 119.876 119.950 -0.094 0.000 2.186 27 F HA -0.036 4.414 4.527 -0.127 0.000 0.299 27 F C 2.748 178.447 175.800 -0.167 0.000 1.090 27 F CA 1.018 59.022 58.000 0.007 0.000 1.307 27 F CB -0.279 38.787 39.000 0.111 0.000 1.019 27 F HN 0.262 nan 8.300 nan 0.000 0.489 28 A N -0.648 122.100 122.820 -0.119 0.000 1.930 28 A HA -0.198 4.046 4.320 -0.127 0.000 0.217 28 A C 2.028 179.492 177.584 -0.200 0.000 1.175 28 A CA 1.357 53.232 52.037 -0.271 0.000 0.627 28 A CB -0.645 18.235 19.000 -0.200 0.000 0.815 28 A HN 0.430 nan 8.150 nan 0.000 0.443 29 Q N -2.312 117.351 119.800 -0.230 0.000 2.472 29 Q HA -0.032 4.232 4.340 -0.127 0.000 0.208 29 Q C 1.183 177.027 176.000 -0.261 0.000 0.958 29 Q CA 0.623 56.257 55.803 -0.283 0.000 0.932 29 Q CB 0.012 28.516 28.738 -0.390 0.000 1.007 29 Q HN 0.798 nan 8.270 nan 0.000 0.508 30 Y N -0.453 119.735 120.300 -0.187 0.000 2.314 30 Y HA 0.147 4.624 4.550 -0.121 0.000 0.294 30 Y C 0.805 176.647 175.900 -0.097 0.000 1.139 30 Y CA 0.230 58.208 58.100 -0.203 0.000 1.162 30 Y CB 0.605 38.844 38.460 -0.368 0.000 1.121 30 Y HN -0.103 nan 8.280 nan 0.000 0.529 31 L N 1.699 123.030 121.223 0.180 0.000 2.494 31 L HA 0.212 4.476 4.340 -0.127 0.000 0.251 31 L C 0.778 177.781 176.870 0.222 0.000 1.119 31 L CA -0.063 54.902 54.840 0.208 0.000 1.026 31 L CB 0.694 42.934 42.059 0.301 0.000 1.370 31 L HN 0.217 nan 8.230 nan 0.000 0.426 32 Q N 0.467 120.329 119.800 0.104 0.000 2.226 32 Q HA -0.237 4.027 4.340 -0.127 0.000 0.204 32 Q C 2.448 178.501 176.000 0.088 0.000 0.975 32 Q CA 2.139 57.966 55.803 0.040 0.000 0.866 32 Q CB 0.062 28.791 28.738 -0.015 0.000 0.915 32 Q HN 0.822 nan 8.270 nan 0.000 0.440 33 Q N 0.086 119.958 119.800 0.120 0.000 2.137 33 Q HA -0.015 4.249 4.340 -0.127 0.000 0.198 33 Q C 1.301 177.410 176.000 0.180 0.000 0.960 33 Q CA 0.941 56.814 55.803 0.118 0.000 0.847 33 Q CB -0.831 27.957 28.738 0.083 0.000 0.915 33 Q HN 0.436 nan 8.270 nan 0.000 0.448 34 C N 2.599 122.031 119.300 0.221 0.000 2.519 34 C HA 0.217 4.601 4.460 -0.127 0.000 0.402 34 C C -1.882 173.267 174.990 0.265 0.000 1.475 34 C CA -1.147 57.962 59.018 0.153 0.000 1.504 34 C CB -0.157 27.557 27.740 -0.044 0.000 2.454 34 C HN 0.485 nan 8.230 nan 0.000 0.615 35 P HA -0.100 nan 4.420 nan 0.000 0.264 35 P C 0.729 178.078 177.300 0.082 0.000 1.173 35 P CA 0.304 63.506 63.100 0.170 0.000 0.761 35 P CB 0.234 31.968 31.700 0.056 0.000 0.794 36 F N 4.552 124.299 119.950 -0.338 0.000 2.032 36 F HA -0.342 4.109 4.527 -0.128 0.000 0.297 36 F C 1.914 177.527 175.800 -0.312 0.000 1.125 36 F CA 2.072 59.576 58.000 -0.827 0.000 1.202 36 F CB -0.736 37.763 39.000 -0.835 0.000 0.958 36 F HN 0.350 nan 8.300 nan 0.000 0.491 37 E N 0.826 120.762 120.200 -0.439 0.000 2.054 37 E HA -0.310 3.964 4.350 -0.127 0.000 0.225 37 E C 1.827 178.196 176.600 -0.385 0.000 1.048 37 E CA 1.941 58.068 56.400 -0.455 0.000 0.899 37 E CB -1.500 28.087 29.700 -0.188 0.000 0.801 37 E HN 0.476 nan 8.360 nan 0.000 0.495 38 D N 0.577 120.815 120.400 -0.270 0.000 2.200 38 D HA -0.210 4.354 4.640 -0.127 0.000 0.192 38 D C 1.899 178.029 176.300 -0.283 0.000 1.008 38 D CA 1.612 55.458 54.000 -0.257 0.000 0.872 38 D CB -0.761 39.885 40.800 -0.257 0.000 0.923 38 D HN 0.366 nan 8.370 nan 0.000 0.447 39 H N 0.075 119.022 119.070 -0.206 0.000 2.319 39 H HA -0.040 4.442 4.556 -0.124 0.000 0.299 39 H C 2.489 177.613 175.328 -0.340 0.000 1.092 39 H CA 0.917 56.839 56.048 -0.209 0.000 1.302 39 H CB -0.497 29.221 29.762 -0.073 0.000 1.373 39 H HN 0.069 nan 8.280 nan 0.000 0.497 40 V N 1.279 121.008 119.914 -0.309 0.000 2.332 40 V HA -0.267 3.777 4.120 -0.127 0.000 0.248 40 V C 2.623 178.571 176.094 -0.244 0.000 1.055 40 V CA 2.048 64.146 62.300 -0.337 0.000 1.038 40 V CB -0.477 31.025 31.823 -0.535 0.000 0.651 40 V HN 0.335 nan 8.190 nan 0.000 0.450 41 K N 0.272 120.531 120.400 -0.234 0.000 1.978 41 K HA -0.195 4.049 4.320 -0.127 0.000 0.214 41 K C 2.144 178.644 176.600 -0.166 0.000 1.049 41 K CA 1.961 58.147 56.287 -0.169 0.000 0.939 41 K CB -0.337 32.074 32.500 -0.148 0.000 0.721 41 K HN 0.410 nan 8.250 nan 0.000 0.441 42 L N 0.834 121.928 121.223 -0.215 0.000 2.043 42 L HA -0.199 4.065 4.340 -0.127 0.000 0.212 42 L C 2.493 179.150 176.870 -0.356 0.000 1.075 42 L CA 1.077 55.762 54.840 -0.260 0.000 0.752 42 L CB -0.743 41.118 42.059 -0.330 0.000 0.891 42 L HN 0.092 nan 8.230 nan 0.000 0.432 43 V N 0.312 119.962 119.914 -0.440 0.000 2.392 43 V HA -0.267 3.777 4.120 -0.127 0.000 0.249 43 V C 2.333 178.378 176.094 -0.081 0.000 1.059 43 V CA 1.872 63.984 62.300 -0.313 0.000 1.051 43 V CB -0.665 31.031 31.823 -0.211 0.000 0.658 43 V HN 0.494 nan 8.190 nan 0.000 0.455 44 N N 0.159 118.814 118.700 -0.075 0.000 2.109 44 N HA -0.128 4.536 4.740 -0.127 0.000 0.188 44 N C 1.837 177.358 175.510 0.018 0.000 1.034 44 N CA 1.430 54.476 53.050 -0.007 0.000 0.846 44 N CB -0.322 38.146 38.487 -0.031 0.000 1.010 44 N HN 0.592 nan 8.380 nan 0.000 0.425 45 E N 0.541 120.734 120.200 -0.012 0.000 2.130 45 E HA -0.129 4.144 4.350 -0.127 0.000 0.196 45 E C 1.929 178.580 176.600 0.086 0.000 0.998 45 E CA 0.939 57.351 56.400 0.020 0.000 0.806 45 E CB -0.042 29.658 29.700 0.000 0.000 0.738 45 E HN 0.091 nan 8.360 nan 0.000 0.459 46 V N 1.264 121.219 119.914 0.070 0.000 2.379 46 V HA -0.205 3.839 4.120 -0.127 0.000 0.245 46 V C 2.278 178.488 176.094 0.193 0.000 1.044 46 V CA 2.128 64.499 62.300 0.117 0.000 1.036 46 V CB -0.595 31.258 31.823 0.049 0.000 0.664 46 V HN 0.355 nan 8.190 nan 0.000 0.453 47 T N -0.307 114.372 114.554 0.209 0.000 2.857 47 T HA -0.101 4.173 4.350 -0.127 0.000 0.266 47 T C 2.139 176.919 174.700 0.134 0.000 1.048 47 T CA 1.546 63.803 62.100 0.261 0.000 1.139 47 T CB -0.390 68.639 68.868 0.268 0.000 0.874 47 T HN 0.720 nan 8.240 nan 0.000 0.455 48 E N 1.825 122.089 120.200 0.107 0.000 2.031 48 E HA -0.127 4.147 4.350 -0.127 0.000 0.193 48 E C 1.754 178.414 176.600 0.100 0.000 0.994 48 E CA 1.302 57.740 56.400 0.062 0.000 0.800 48 E CB -1.183 28.541 29.700 0.040 0.000 0.752 48 E HN 0.433 nan 8.360 nan 0.000 0.447 49 F N 1.937 121.861 119.950 -0.043 0.000 2.063 49 F HA -0.117 4.334 4.527 -0.126 0.000 0.298 49 F C 2.725 178.468 175.800 -0.095 0.000 1.109 49 F CA 1.601 59.570 58.000 -0.052 0.000 1.212 49 F CB -1.113 37.871 39.000 -0.026 0.000 0.973 49 F HN 0.284 nan 8.300 nan 0.000 0.480 50 A N 0.660 123.519 122.820 0.065 0.000 1.903 50 A HA -0.264 3.980 4.320 -0.127 0.000 0.219 50 A C 2.313 179.674 177.584 -0.371 0.000 1.191 50 A CA 2.075 53.986 52.037 -0.210 0.000 0.638 50 A CB -0.783 18.067 19.000 -0.251 0.000 0.823 50 A HN 0.379 nan 8.150 nan 0.000 0.451 51 K N -0.633 119.541 120.400 -0.376 0.000 2.152 51 K HA -0.155 4.089 4.320 -0.127 0.000 0.206 51 K C 2.255 178.725 176.600 -0.217 0.000 1.048 51 K CA 1.886 57.929 56.287 -0.407 0.000 0.933 51 K CB -0.724 31.629 32.500 -0.244 0.000 0.721 51 K HN 0.809 nan 8.250 nan 0.000 0.447 52 T N -1.642 112.865 114.554 -0.079 0.000 2.896 52 T HA -0.089 4.185 4.350 -0.127 0.000 0.263 52 T C 2.387 177.079 174.700 -0.013 0.000 1.050 52 T CA 1.122 63.208 62.100 -0.025 0.000 1.140 52 T CB -0.552 68.330 68.868 0.024 0.000 0.877 52 T HN 0.171 nan 8.240 nan 0.000 0.457 53 c N 1.407 120.015 118.600 0.012 0.000 2.419 53 c HA 0.102 4.596 4.570 -0.127 0.000 0.281 53 c C 2.853 176.904 174.090 -0.065 0.000 1.336 53 c CA 0.108 56.437 56.329 -0.001 0.000 1.770 53 c CB -1.358 41.135 42.510 -0.028 0.000 1.929 53 c HN 0.463 nan 8.230 nan 0.000 0.509 54 V N 1.600 121.427 119.914 -0.144 0.000 2.295 54 V HA -0.210 3.834 4.120 -0.127 0.000 0.246 54 V C 2.705 178.748 176.094 -0.086 0.000 1.049 54 V CA 2.342 64.555 62.300 -0.146 0.000 1.024 54 V CB -1.315 30.358 31.823 -0.251 0.000 0.648 54 V HN 0.602 nan 8.190 nan 0.000 0.447 55 A N 0.145 122.916 122.820 -0.081 0.000 1.821 55 A HA -0.036 4.208 4.320 -0.127 0.000 0.215 55 A C 1.518 179.083 177.584 -0.031 0.000 1.214 55 A CA 1.498 53.505 52.037 -0.051 0.000 0.608 55 A CB -1.099 17.872 19.000 -0.049 0.000 0.862 55 A HN 0.586 nan 8.150 nan 0.000 0.448 56 D N 0.017 120.405 120.400 -0.021 0.000 2.428 56 D HA 0.496 5.060 4.640 -0.127 0.000 0.221 56 D C -0.010 176.295 176.300 0.009 0.000 1.123 56 D CA -0.185 53.812 54.000 -0.004 0.000 0.869 56 D CB 0.083 40.883 40.800 0.000 0.000 1.032 56 D HN 0.515 nan 8.370 nan 0.000 0.506 57 E N 0.631 120.834 120.200 0.004 0.000 2.379 57 E HA 0.181 4.455 4.350 -0.127 0.000 0.209 57 E C 0.639 177.255 176.600 0.027 0.000 1.284 57 E CA 0.154 56.561 56.400 0.012 0.000 1.333 57 E CB 0.068 29.770 29.700 0.002 0.000 1.307 57 E HN 0.455 nan 8.360 nan 0.000 0.441 58 S N -1.819 113.905 115.700 0.039 0.000 2.775 58 S HA 0.221 4.615 4.470 -0.127 0.000 0.227 58 S C 0.949 175.582 174.600 0.056 0.000 0.845 58 S CA 0.276 58.504 58.200 0.046 0.000 1.407 58 S CB -0.133 63.085 63.200 0.030 0.000 1.259 58 S HN 0.322 nan 8.310 nan 0.000 0.612 59 A N 1.826 124.686 122.820 0.066 0.000 2.021 59 A HA 0.084 4.328 4.320 -0.127 0.000 0.206 59 A C 1.938 179.553 177.584 0.052 0.000 1.210 59 A CA 2.542 54.612 52.037 0.055 0.000 0.733 59 A CB -1.583 17.453 19.000 0.060 0.000 0.839 59 A HN 0.942 nan 8.150 nan 0.000 0.495 60 E N -1.356 118.891 120.200 0.079 0.000 2.033 60 E HA 0.050 4.324 4.350 -0.127 0.000 0.194 60 E C 1.214 177.899 176.600 0.141 0.000 0.960 60 E CA 1.269 57.685 56.400 0.026 0.000 0.842 60 E CB -0.496 29.081 29.700 -0.206 0.000 0.816 60 E HN 0.689 nan 8.360 nan 0.000 0.468 61 N N -1.370 117.536 118.700 0.343 0.000 2.240 61 N HA 0.152 4.816 4.740 -0.127 0.000 0.240 61 N C 0.614 176.255 175.510 0.218 0.000 1.277 61 N CA 0.102 53.313 53.050 0.268 0.000 0.873 61 N CB 0.351 39.000 38.487 0.270 0.000 1.222 61 N HN 0.400 nan 8.380 nan 0.000 0.507 62 c N 0.725 119.468 118.600 0.238 0.000 2.402 62 c HA -0.139 4.355 4.570 -0.127 0.000 0.301 62 c C 1.703 175.812 174.090 0.032 0.000 1.455 62 c CA 1.196 57.559 56.329 0.057 0.000 1.787 62 c CB -1.654 40.918 42.510 0.104 0.000 1.726 62 c HN 0.617 nan 8.230 nan 0.000 0.565 63 D N -0.464 119.973 120.400 0.062 0.000 2.340 63 D HA 0.034 4.598 4.640 -0.127 0.000 0.220 63 D C 0.979 177.310 176.300 0.051 0.000 1.039 63 D CA 0.299 54.331 54.000 0.053 0.000 0.866 63 D CB 0.085 40.919 40.800 0.056 0.000 0.913 63 D HN 0.421 nan 8.370 nan 0.000 0.523 64 K N 0.251 120.680 120.400 0.049 0.000 2.731 64 K HA 0.369 4.613 4.320 -0.127 0.000 0.284 64 K C 0.140 176.774 176.600 0.057 0.000 1.027 64 K CA -0.496 55.825 56.287 0.057 0.000 1.040 64 K CB 0.468 33.007 32.500 0.066 0.000 1.334 64 K HN 0.117 nan 8.250 nan 0.000 0.498 65 S N 0.406 116.153 115.700 0.078 0.000 2.454 65 S HA 0.189 4.583 4.470 -0.127 0.000 0.306 65 S C 1.002 175.670 174.600 0.112 0.000 1.100 65 S CA -0.746 57.509 58.200 0.092 0.000 1.087 65 S CB 0.915 64.190 63.200 0.124 0.000 1.019 65 S HN 0.398 nan 8.310 nan 0.000 0.480 66 L N 2.415 123.695 121.223 0.096 0.000 2.058 66 L HA -0.239 4.025 4.340 -0.127 0.000 0.226 66 L C 2.590 179.698 176.870 0.397 0.000 1.089 66 L CA 2.082 57.059 54.840 0.228 0.000 0.799 66 L CB -2.389 39.804 42.059 0.222 0.000 0.900 66 L HN 0.828 nan 8.230 nan 0.000 0.442 67 H N -0.077 119.178 119.070 0.307 0.000 2.252 67 H HA -0.157 4.322 4.556 -0.129 0.000 0.292 67 H C 2.196 177.651 175.328 0.212 0.000 1.082 67 H CA 2.129 58.325 56.048 0.247 0.000 1.229 67 H CB -0.883 28.976 29.762 0.161 0.000 1.353 67 H HN 0.359 nan 8.280 nan 0.000 0.488 68 T N 1.452 116.177 114.554 0.285 0.000 2.649 68 T HA -0.249 4.025 4.350 -0.127 0.000 0.268 68 T C 2.708 177.511 174.700 0.173 0.000 1.036 68 T CA 2.461 64.675 62.100 0.190 0.000 1.157 68 T CB -1.135 67.817 68.868 0.140 0.000 0.861 68 T HN 0.354 nan 8.240 nan 0.000 0.445 69 L N 0.500 121.808 121.223 0.141 0.000 1.961 69 L HA 0.106 4.370 4.340 -0.127 0.000 0.210 69 L C 2.542 179.466 176.870 0.091 0.000 1.072 69 L CA 2.210 57.088 54.840 0.064 0.000 0.749 69 L CB -2.051 39.944 42.059 -0.106 0.000 0.889 69 L HN 0.300 nan 8.230 nan 0.000 0.432 70 F N 1.035 121.041 119.950 0.094 0.000 2.065 70 F HA -0.095 4.358 4.527 -0.122 0.000 0.298 70 F C 2.638 178.431 175.800 -0.011 0.000 1.112 70 F CA 2.031 60.049 58.000 0.029 0.000 1.212 70 F CB -1.161 37.795 39.000 -0.074 0.000 0.975 70 F HN 0.258 nan 8.300 nan 0.000 0.476 71 G N -0.364 108.584 108.800 0.246 0.000 2.459 71 G HA2 -0.266 3.618 3.960 -0.127 0.000 0.217 71 G HA3 -0.266 3.618 3.960 -0.127 0.000 0.217 71 G C 1.360 176.369 174.900 0.181 0.000 1.183 71 G CA 1.314 46.527 45.100 0.188 0.000 0.776 71 G HN 0.269 nan 8.290 nan 0.000 0.552 72 D N 0.398 120.900 120.400 0.171 0.000 2.144 72 D HA -0.067 4.497 4.640 -0.127 0.000 0.199 72 D C 2.697 179.084 176.300 0.146 0.000 0.984 72 D CA 1.192 55.278 54.000 0.144 0.000 0.834 72 D CB -0.267 40.609 40.800 0.127 0.000 0.955 72 D HN 0.242 nan 8.370 nan 0.000 0.465 73 K N 0.531 121.038 120.400 0.179 0.000 2.009 73 K HA -0.074 4.170 4.320 -0.127 0.000 0.210 73 K C 2.577 179.311 176.600 0.223 0.000 1.049 73 K CA 0.491 56.907 56.287 0.214 0.000 0.929 73 K CB -1.044 31.653 32.500 0.329 0.000 0.714 73 K HN 0.265 nan 8.250 nan 0.000 0.440 74 L N 0.176 121.543 121.223 0.240 0.000 2.083 74 L HA -0.155 4.109 4.340 -0.127 0.000 0.209 74 L C 2.532 179.470 176.870 0.113 0.000 1.083 74 L CA 1.066 56.005 54.840 0.165 0.000 0.752 74 L CB -0.580 41.439 42.059 -0.068 0.000 0.899 74 L HN 0.327 nan 8.230 nan 0.000 0.433 75 c N -0.133 118.546 118.600 0.132 0.000 2.485 75 c HA -0.078 4.416 4.570 -0.127 0.000 0.283 75 c C 2.623 176.764 174.090 0.086 0.000 1.478 75 c CA 1.294 57.700 56.329 0.129 0.000 1.741 75 c CB -1.659 40.934 42.510 0.140 0.000 1.675 75 c HN 0.643 nan 8.230 nan 0.000 0.573 76 T N -3.735 110.867 114.554 0.080 0.000 3.107 76 T HA 0.110 4.384 4.350 -0.127 0.000 0.249 76 T C 0.984 175.705 174.700 0.035 0.000 1.096 76 T CA 0.908 63.040 62.100 0.052 0.000 1.012 76 T CB 0.013 68.911 68.868 0.050 0.000 0.977 76 T HN 0.311 nan 8.240 nan 0.000 0.527 77 V N -0.569 119.369 119.914 0.040 0.000 3.408 77 V HA 0.503 4.546 4.120 -0.127 0.000 0.263 77 V C 2.735 178.846 176.094 0.028 0.000 1.503 77 V CA 0.136 62.448 62.300 0.020 0.000 1.046 77 V CB -0.380 31.442 31.823 -0.002 0.000 0.851 77 V HN 0.439 nan 8.190 nan 0.000 0.435 78 A N 1.322 124.173 122.820 0.051 0.000 1.930 78 A HA -0.145 4.098 4.320 -0.127 0.000 0.217 78 A C 2.183 179.790 177.584 0.038 0.000 1.175 78 A CA 2.351 54.424 52.037 0.060 0.000 0.627 78 A CB -0.954 18.116 19.000 0.116 0.000 0.815 78 A HN 0.530 nan 8.150 nan 0.000 0.443 79 T N 0.367 114.942 114.554 0.035 0.000 3.026 79 T HA -0.044 4.230 4.350 -0.127 0.000 0.271 79 T C 0.697 175.403 174.700 0.010 0.000 1.149 79 T CA 0.575 62.686 62.100 0.018 0.000 1.088 79 T CB -0.632 68.247 68.868 0.018 0.000 0.857 79 T HN 0.330 nan 8.240 nan 0.000 0.551 80 L N 1.644 122.874 121.223 0.012 0.000 2.399 80 L HA 0.337 4.601 4.340 -0.127 0.000 0.257 80 L C 2.241 179.114 176.870 0.005 0.000 1.236 80 L CA -0.639 54.205 54.840 0.007 0.000 1.144 80 L CB -0.314 41.748 42.059 0.006 0.000 1.379 80 L HN 0.193 nan 8.230 nan 0.000 0.414 81 R N 1.279 121.780 120.500 0.001 0.000 2.159 81 R HA -0.166 4.098 4.340 -0.127 0.000 0.237 81 R C 2.086 178.387 176.300 0.001 0.000 1.131 81 R CA 1.697 57.795 56.100 -0.003 0.000 0.982 81 R CB -1.385 28.910 30.300 -0.007 0.000 0.868 81 R HN 0.694 nan 8.270 nan 0.000 0.453 82 E N 0.223 120.425 120.200 0.003 0.000 2.265 82 E HA -0.134 4.140 4.350 -0.127 0.000 0.196 82 E C 2.050 178.655 176.600 0.009 0.000 0.996 82 E CA 1.781 58.184 56.400 0.005 0.000 0.832 82 E CB -0.740 28.963 29.700 0.005 0.000 0.756 82 E HN 0.755 nan 8.360 nan 0.000 0.491 83 T N -2.905 111.655 114.554 0.010 0.000 3.087 83 T HA 0.364 4.638 4.350 -0.127 0.000 0.237 83 T C 1.026 175.737 174.700 0.018 0.000 0.990 83 T CA 0.905 63.014 62.100 0.015 0.000 1.160 83 T CB 0.269 69.145 68.868 0.014 0.000 0.923 83 T HN 0.738 nan 8.240 nan 0.000 0.442 84 Y N 1.607 121.915 120.300 0.014 0.000 2.748 84 Y HA 0.752 5.226 4.550 -0.127 0.000 0.359 84 Y C 1.337 177.234 175.900 -0.006 0.000 1.030 84 Y CA -1.344 56.763 58.100 0.011 0.000 1.169 84 Y CB -0.169 38.304 38.460 0.022 0.000 1.127 84 Y HN 0.290 nan 8.280 nan 0.000 0.644 85 G N 0.471 109.267 108.800 -0.006 0.000 2.679 85 G HA2 -0.129 3.755 3.960 -0.127 0.000 0.217 85 G HA3 -0.129 3.755 3.960 -0.127 0.000 0.217 85 G C 1.491 176.369 174.900 -0.038 0.000 1.267 85 G CA 1.955 47.046 45.100 -0.014 0.000 0.799 85 G HN 1.312 nan 8.290 nan 0.000 0.606 86 E N 0.015 120.186 120.200 -0.049 0.000 2.510 86 E HA 0.075 4.349 4.350 -0.127 0.000 0.202 86 E C 2.202 178.661 176.600 -0.236 0.000 1.072 86 E CA 1.418 57.760 56.400 -0.096 0.000 0.883 86 E CB -0.356 29.322 29.700 -0.036 0.000 0.818 86 E HN 0.346 nan 8.360 nan 0.000 0.548 87 M N -0.097 119.397 119.600 -0.177 0.000 2.160 87 M HA 0.272 4.676 4.480 -0.127 0.000 0.264 87 M C 2.782 179.016 176.300 -0.110 0.000 1.073 87 M CA 1.044 56.245 55.300 -0.165 0.000 1.142 87 M CB -1.002 31.580 32.600 -0.029 0.000 1.358 87 M HN 0.451 nan 8.290 nan 0.000 0.422 88 A N 0.898 123.681 122.820 -0.061 0.000 1.971 88 A HA -0.256 3.988 4.320 -0.127 0.000 0.222 88 A C 1.762 179.303 177.584 -0.072 0.000 1.182 88 A CA 2.351 54.362 52.037 -0.042 0.000 0.649 88 A CB -1.030 17.953 19.000 -0.028 0.000 0.818 88 A HN 0.511 nan 8.150 nan 0.000 0.458 89 D N -0.236 120.106 120.400 -0.097 0.000 2.092 89 D HA -0.158 4.406 4.640 -0.127 0.000 0.193 89 D C 2.030 178.240 176.300 -0.149 0.000 0.994 89 D CA 1.613 55.554 54.000 -0.099 0.000 0.828 89 D CB -1.073 39.678 40.800 -0.082 0.000 0.963 89 D HN 0.509 nan 8.370 nan 0.000 0.450 90 c N 0.614 119.068 118.600 -0.243 0.000 2.413 90 c HA -0.156 4.338 4.570 -0.127 0.000 0.277 90 c C 3.081 176.948 174.090 -0.371 0.000 1.265 90 c CA 0.101 56.179 56.329 -0.419 0.000 1.752 90 c CB -1.105 40.928 42.510 -0.793 0.000 1.998 90 c HN 0.450 nan 8.230 nan 0.000 0.489 91 c N 0.814 119.289 118.600 -0.209 0.000 2.435 91 c HA -0.000 4.494 4.570 -0.127 0.000 0.279 91 c C 2.920 176.970 174.090 -0.066 0.000 1.321 91 c CA 1.155 57.435 56.329 -0.082 0.000 1.752 91 c CB -1.453 41.059 42.510 0.005 0.000 1.959 91 c HN 0.706 nan 8.230 nan 0.000 0.500 92 A N -0.168 122.607 122.820 -0.074 0.000 2.235 92 A HA 0.033 4.277 4.320 -0.127 0.000 0.208 92 A C 1.104 178.652 177.584 -0.060 0.000 1.172 92 A CA 0.774 52.780 52.037 -0.052 0.000 0.786 92 A CB -0.221 18.753 19.000 -0.045 0.000 0.804 92 A HN 0.606 nan 8.150 nan 0.000 0.479 93 K N -1.096 119.248 120.400 -0.093 0.000 2.318 93 K HA 0.506 4.750 4.320 -0.127 0.000 0.243 93 K C 0.789 177.353 176.600 -0.060 0.000 1.047 93 K CA 0.462 56.695 56.287 -0.091 0.000 0.937 93 K CB 0.113 32.526 32.500 -0.145 0.000 1.225 93 K HN 0.379 nan 8.250 nan 0.000 0.506 94 Q N 0.375 120.146 119.800 -0.050 0.000 2.838 94 Q HA 0.325 4.589 4.340 -0.127 0.000 0.189 94 Q C 1.637 177.628 176.000 -0.015 0.000 1.029 94 Q CA 0.627 56.417 55.803 -0.022 0.000 0.919 94 Q CB -0.996 27.734 28.738 -0.013 0.000 2.121 94 Q HN 0.685 nan 8.270 nan 0.000 0.455 95 E N -0.186 120.017 120.200 0.005 0.000 2.033 95 E HA -0.001 4.273 4.350 -0.127 0.000 0.189 95 E C 0.224 176.831 176.600 0.012 0.000 0.979 95 E CA 1.439 57.852 56.400 0.022 0.000 0.802 95 E CB -2.018 27.706 29.700 0.039 0.000 0.763 95 E HN 0.657 nan 8.360 nan 0.000 0.449 96 P HA -0.095 nan 4.420 nan 0.000 0.218 96 P C 0.933 178.230 177.300 -0.004 0.000 1.152 96 P CA 2.843 65.947 63.100 0.006 0.000 0.857 96 P CB 0.116 31.817 31.700 0.001 0.000 0.787 97 E N -1.262 118.920 120.200 -0.030 0.000 2.948 97 E HA 0.084 4.358 4.350 -0.127 0.000 0.186 97 E C 1.295 177.826 176.600 -0.115 0.000 0.951 97 E CA -0.269 56.099 56.400 -0.054 0.000 1.308 97 E CB -0.911 28.764 29.700 -0.042 0.000 1.037 97 E HN 0.223 nan 8.360 nan 0.000 0.469 98 R N 0.442 120.868 120.500 -0.124 0.000 2.241 98 R HA -0.065 4.199 4.340 -0.127 0.000 0.224 98 R C 1.356 177.463 176.300 -0.322 0.000 1.101 98 R CA 1.518 57.483 56.100 -0.224 0.000 0.995 98 R CB -0.489 29.729 30.300 -0.136 0.000 0.870 98 R HN 0.448 nan 8.270 nan 0.000 0.463 99 N N 0.102 118.699 118.700 -0.172 0.000 2.251 99 N HA -0.102 4.562 4.740 -0.127 0.000 0.181 99 N C 0.991 176.420 175.510 -0.134 0.000 1.019 99 N CA 0.440 53.409 53.050 -0.135 0.000 0.862 99 N CB 0.230 38.538 38.487 -0.299 0.000 0.992 99 N HN 0.109 nan 8.380 nan 0.000 0.429 100 E N 1.039 121.165 120.200 -0.123 0.000 2.058 100 E HA -0.189 4.085 4.350 -0.127 0.000 0.194 100 E C 2.097 178.652 176.600 -0.075 0.000 0.997 100 E CA 0.527 56.878 56.400 -0.081 0.000 0.801 100 E CB -1.173 28.501 29.700 -0.043 0.000 0.746 100 E HN 0.406 nan 8.360 nan 0.000 0.450 101 c N 0.337 118.851 118.600 -0.143 0.000 2.391 101 c HA -0.204 4.290 4.570 -0.127 0.000 0.276 101 c C 2.532 176.638 174.090 0.028 0.000 1.217 101 c CA 0.677 56.941 56.329 -0.110 0.000 1.766 101 c CB -1.325 41.014 42.510 -0.285 0.000 2.046 101 c HN 0.267 nan 8.230 nan 0.000 0.475 102 F N 1.149 121.070 119.950 -0.048 0.000 2.060 102 F HA 0.011 4.461 4.527 -0.128 0.000 0.295 102 F C 2.208 178.041 175.800 0.055 0.000 1.120 102 F CA 1.560 59.496 58.000 -0.108 0.000 1.205 102 F CB -1.223 37.447 39.000 -0.550 0.000 0.986 102 F HN 0.163 nan 8.300 nan 0.000 0.470 103 L N -0.350 121.021 121.223 0.246 0.000 2.043 103 L HA -0.289 3.975 4.340 -0.127 0.000 0.212 103 L C 2.601 179.532 176.870 0.103 0.000 1.075 103 L CA 1.875 56.811 54.840 0.159 0.000 0.752 103 L CB -1.515 40.546 42.059 0.004 0.000 0.891 103 L HN 0.234 nan 8.230 nan 0.000 0.432 104 Q N -0.578 119.250 119.800 0.047 0.000 2.364 104 Q HA -0.201 4.063 4.340 -0.127 0.000 0.207 104 Q C 1.508 177.434 176.000 -0.123 0.000 0.970 104 Q CA 1.536 57.308 55.803 -0.052 0.000 0.888 104 Q CB -0.728 27.931 28.738 -0.131 0.000 0.951 104 Q HN 0.749 nan 8.270 nan 0.000 0.469 105 H N -0.514 118.594 119.070 0.064 0.000 2.549 105 H HA 0.402 4.881 4.556 -0.127 0.000 0.279 105 H C 0.160 175.535 175.328 0.078 0.000 1.018 105 H CA -0.297 55.791 56.048 0.067 0.000 1.175 105 H CB 0.530 30.338 29.762 0.077 0.000 1.485 105 H HN 0.262 nan 8.280 nan 0.000 0.543 106 K N 1.412 121.908 120.400 0.159 0.000 2.401 106 K HA -0.008 4.235 4.320 -0.127 0.000 0.278 106 K C -0.468 176.193 176.600 0.101 0.000 1.018 106 K CA 0.042 56.386 56.287 0.095 0.000 0.981 106 K CB 0.593 33.081 32.500 -0.021 0.000 0.933 106 K HN 0.153 nan 8.250 nan 0.000 0.477 107 D N 1.681 122.125 120.400 0.074 0.000 2.233 107 D HA 0.089 4.653 4.640 -0.127 0.000 0.240 107 D C 0.038 176.373 176.300 0.058 0.000 1.074 107 D CA -0.283 53.754 54.000 0.061 0.000 0.838 107 D CB 1.189 42.013 40.800 0.040 0.000 1.124 107 D HN 0.387 nan 8.370 nan 0.000 0.475 108 D N 2.257 122.693 120.400 0.059 0.000 2.348 108 D HA -0.022 4.542 4.640 -0.127 0.000 0.211 108 D C -0.059 176.225 176.300 -0.026 0.000 0.998 108 D CA 0.492 54.515 54.000 0.039 0.000 0.873 108 D CB 0.457 41.268 40.800 0.018 0.000 0.925 108 D HN 0.420 nan 8.370 nan 0.000 0.524 109 N N 1.131 119.817 118.700 -0.023 0.000 2.750 109 N HA 0.174 4.837 4.740 -0.127 0.000 0.253 109 N C -2.802 172.691 175.510 -0.028 0.000 1.408 109 N CA -1.161 51.866 53.050 -0.039 0.000 0.780 109 N CB 1.738 40.206 38.487 -0.031 0.000 1.191 109 N HN -0.164 nan 8.380 nan 0.000 0.511 110 P HA 0.145 nan 4.420 nan 0.000 0.271 110 P C 0.194 177.482 177.300 -0.019 0.000 1.216 110 P CA 0.111 63.198 63.100 -0.022 0.000 0.776 110 P CB 0.430 32.108 31.700 -0.036 0.000 0.881 111 N N 3.021 121.719 118.700 -0.005 0.000 2.683 111 N HA 0.094 4.758 4.740 -0.127 0.000 0.256 111 N C 0.223 175.734 175.510 0.002 0.000 1.270 111 N CA -0.129 52.921 53.050 -0.001 0.000 0.954 111 N CB -0.902 37.589 38.487 0.007 0.000 1.289 111 N HN 0.319 nan 8.380 nan 0.000 0.508 112 L N 0.523 121.741 121.223 -0.008 0.000 2.290 112 L HA 0.363 4.627 4.340 -0.127 0.000 0.284 112 L C -1.804 175.065 176.870 -0.002 0.000 1.078 112 L CA -1.703 53.133 54.840 -0.005 0.000 0.815 112 L CB 0.915 42.958 42.059 -0.026 0.000 1.162 112 L HN 0.232 nan 8.230 nan 0.000 0.435 113 P HA 0.041 nan 4.420 nan 0.000 0.267 113 P C 0.105 177.412 177.300 0.011 0.000 1.195 113 P CA -0.134 62.974 63.100 0.013 0.000 0.773 113 P CB 0.343 32.056 31.700 0.023 0.000 0.837 114 R N 1.639 122.147 120.500 0.013 0.000 2.697 114 R HA 0.058 4.321 4.340 -0.127 0.000 0.265 114 R C 0.034 176.346 176.300 0.021 0.000 1.009 114 R CA -0.009 56.101 56.100 0.016 0.000 1.099 114 R CB -0.826 29.486 30.300 0.020 0.000 0.965 114 R HN 0.566 nan 8.270 nan 0.000 0.428 115 L N 3.930 125.167 121.223 0.023 0.000 2.407 115 L HA 0.380 4.644 4.340 -0.127 0.000 0.261 115 L C 0.189 177.083 176.870 0.041 0.000 1.108 115 L CA -0.680 54.177 54.840 0.027 0.000 0.995 115 L CB 0.806 42.875 42.059 0.016 0.000 1.349 115 L HN 0.619 nan 8.230 nan 0.000 0.423 116 V N 5.984 125.923 119.914 0.042 0.000 3.051 116 V HA 0.439 4.483 4.120 -0.127 0.000 0.306 116 V C 0.134 176.265 176.094 0.062 0.000 1.083 116 V CA -0.365 61.964 62.300 0.049 0.000 1.104 116 V CB 0.919 32.767 31.823 0.043 0.000 1.027 116 V HN 0.922 nan 8.190 nan 0.000 0.483 117 R N 4.846 125.389 120.500 0.072 0.000 2.409 117 R HA 0.668 4.932 4.340 -0.127 0.000 0.313 117 R C -2.779 173.577 176.300 0.094 0.000 0.953 117 R CA -1.660 54.497 56.100 0.096 0.000 0.849 117 R CB 0.796 31.167 30.300 0.118 0.000 1.171 117 R HN 0.546 nan 8.270 nan 0.000 0.458 118 P HA 0.015 nan 4.420 nan 0.000 0.269 118 P C 0.009 177.366 177.300 0.095 0.000 1.205 118 P CA 0.229 63.385 63.100 0.093 0.000 0.780 118 P CB 0.311 32.072 31.700 0.103 0.000 0.858 119 E N 0.736 120.979 120.200 0.072 0.000 2.459 119 E HA -0.010 4.263 4.350 -0.127 0.000 0.264 119 E C 1.411 178.057 176.600 0.076 0.000 1.055 119 E CA 0.217 56.653 56.400 0.061 0.000 0.957 119 E CB -0.393 29.334 29.700 0.045 0.000 0.952 119 E HN 0.312 nan 8.360 nan 0.000 0.448 120 V N 1.957 121.905 119.914 0.058 0.000 2.453 120 V HA -0.262 3.781 4.120 -0.127 0.000 0.252 120 V C 2.693 178.828 176.094 0.067 0.000 1.068 120 V CA 2.900 65.235 62.300 0.058 0.000 1.070 120 V CB -1.438 30.390 31.823 0.008 0.000 0.664 120 V HN 0.957 nan 8.190 nan 0.000 0.461 121 D N -0.551 119.880 120.400 0.052 0.000 2.178 121 D HA -0.091 4.473 4.640 -0.127 0.000 0.202 121 D C 2.083 178.413 176.300 0.050 0.000 0.974 121 D CA 1.650 55.678 54.000 0.047 0.000 0.841 121 D CB -0.234 40.587 40.800 0.036 0.000 0.953 121 D HN 0.343 nan 8.370 nan 0.000 0.478 122 V N 0.214 120.165 119.914 0.062 0.000 2.302 122 V HA -0.146 3.898 4.120 -0.127 0.000 0.243 122 V C 2.824 178.950 176.094 0.054 0.000 1.036 122 V CA 1.681 64.015 62.300 0.058 0.000 1.020 122 V CB -0.515 31.351 31.823 0.072 0.000 0.657 122 V HN 0.460 nan 8.190 nan 0.000 0.453 123 M N -0.585 119.090 119.600 0.126 0.000 2.106 123 M HA -0.254 4.150 4.480 -0.127 0.000 0.259 123 M C 2.422 178.660 176.300 -0.104 0.000 1.068 123 M CA 2.011 57.409 55.300 0.163 0.000 1.100 123 M CB -0.901 31.996 32.600 0.495 0.000 1.351 123 M HN 0.390 nan 8.290 nan 0.000 0.404 124 c N -0.003 118.625 118.600 0.047 0.000 2.432 124 c HA -0.140 4.354 4.570 -0.127 0.000 0.277 124 c C 2.944 176.970 174.090 -0.106 0.000 1.249 124 c CA 1.528 57.852 56.329 -0.009 0.000 1.725 124 c CB -0.975 41.565 42.510 0.050 0.000 2.028 124 c HN 0.577 nan 8.230 nan 0.000 0.477 125 T N 0.942 115.470 114.554 -0.043 0.000 2.643 125 T HA -0.152 4.122 4.350 -0.127 0.000 0.264 125 T C 2.096 176.727 174.700 -0.116 0.000 1.045 125 T CA 1.830 63.917 62.100 -0.023 0.000 1.155 125 T CB -0.578 68.290 68.868 -0.000 0.000 0.863 125 T HN 0.619 nan 8.240 nan 0.000 0.420 126 A N 0.980 123.693 122.820 -0.177 0.000 1.978 126 A HA -0.090 4.154 4.320 -0.127 0.000 0.220 126 A C 2.027 179.306 177.584 -0.508 0.000 1.170 126 A CA 1.660 53.557 52.037 -0.233 0.000 0.636 126 A CB -0.936 17.998 19.000 -0.110 0.000 0.810 126 A HN 0.531 nan 8.150 nan 0.000 0.448 127 F N -0.089 119.185 119.950 -1.126 0.000 2.163 127 F HA -0.113 4.339 4.527 -0.125 0.000 0.297 127 F C 2.296 177.799 175.800 -0.495 0.000 1.094 127 F CA 1.958 59.166 58.000 -1.320 0.000 1.290 127 F CB -0.450 37.626 39.000 -1.541 0.000 1.017 127 F HN 0.324 nan 8.300 nan 0.000 0.483 128 H N -0.035 118.704 119.070 -0.553 0.000 2.326 128 H HA -0.092 4.388 4.556 -0.126 0.000 0.301 128 H C 1.975 177.099 175.328 -0.341 0.000 1.081 128 H CA 1.694 57.447 56.048 -0.491 0.000 1.334 128 H CB -0.867 28.758 29.762 -0.229 0.000 1.385 128 H HN 0.354 nan 8.280 nan 0.000 0.504 129 D N 0.430 120.770 120.400 -0.100 0.000 2.108 129 D HA -0.158 4.406 4.640 -0.127 0.000 0.190 129 D C 0.534 176.773 176.300 -0.102 0.000 0.995 129 D CA 1.176 55.125 54.000 -0.085 0.000 0.834 129 D CB -0.100 40.665 40.800 -0.059 0.000 0.967 129 D HN 0.105 nan 8.370 nan 0.000 0.446 130 N N -0.470 118.164 118.700 -0.111 0.000 2.399 130 N HA 0.150 4.814 4.740 -0.127 0.000 0.284 130 N C -0.217 175.247 175.510 -0.076 0.000 1.025 130 N CA -0.320 52.692 53.050 -0.063 0.000 0.885 130 N CB 1.846 40.339 38.487 0.009 0.000 1.339 130 N HN 0.158 nan 8.380 nan 0.000 0.487 131 E N 2.562 122.716 120.200 -0.076 0.000 2.033 131 E HA -0.040 4.234 4.350 -0.127 0.000 0.197 131 E C 1.586 178.281 176.600 0.158 0.000 0.955 131 E CA 1.324 57.712 56.400 -0.020 0.000 0.855 131 E CB -0.110 29.541 29.700 -0.081 0.000 0.841 131 E HN 0.685 nan 8.360 nan 0.000 0.476 132 E N 0.206 120.477 120.200 0.119 0.000 2.181 132 E HA -0.353 3.921 4.350 -0.127 0.000 0.225 132 E C 1.948 178.658 176.600 0.184 0.000 1.073 132 E CA 2.738 59.224 56.400 0.143 0.000 0.916 132 E CB -2.059 27.705 29.700 0.106 0.000 0.793 132 E HN 0.415 nan 8.360 nan 0.000 0.472 133 T N -0.570 114.095 114.554 0.186 0.000 2.849 133 T HA -0.006 4.268 4.350 -0.127 0.000 0.270 133 T C 1.638 176.455 174.700 0.195 0.000 1.066 133 T CA 1.132 63.370 62.100 0.230 0.000 1.130 133 T CB -0.348 68.651 68.868 0.218 0.000 0.864 133 T HN 0.461 nan 8.240 nan 0.000 0.481 134 F N 1.433 121.413 119.950 0.049 0.000 2.128 134 F HA 0.169 4.622 4.527 -0.123 0.000 0.295 134 F C 1.833 177.673 175.800 0.067 0.000 1.100 134 F CA 0.785 58.801 58.000 0.027 0.000 1.260 134 F CB -0.345 38.695 39.000 0.066 0.000 1.009 134 F HN 0.043 nan 8.300 nan 0.000 0.476 135 L N -0.359 120.976 121.223 0.186 0.000 2.217 135 L HA -0.141 4.123 4.340 -0.127 0.000 0.211 135 L C 2.351 179.281 176.870 0.100 0.000 1.107 135 L CA 0.959 55.877 54.840 0.130 0.000 0.783 135 L CB -0.618 41.570 42.059 0.215 0.000 0.919 135 L HN 0.068 nan 8.230 nan 0.000 0.442 136 K N 0.866 121.337 120.400 0.118 0.000 2.002 136 K HA -0.202 4.042 4.320 -0.127 0.000 0.209 136 K C 2.588 179.228 176.600 0.067 0.000 1.048 136 K CA 2.005 58.393 56.287 0.169 0.000 0.930 136 K CB -0.203 32.494 32.500 0.328 0.000 0.714 136 K HN 0.222 nan 8.250 nan 0.000 0.438 137 K N 0.749 121.020 120.400 -0.216 0.000 2.152 137 K HA -0.222 4.022 4.320 -0.127 0.000 0.206 137 K C 1.840 178.330 176.600 -0.184 0.000 1.048 137 K CA 1.862 57.862 56.287 -0.479 0.000 0.933 137 K CB -1.202 30.937 32.500 -0.602 0.000 0.721 137 K HN 0.308 nan 8.250 nan 0.000 0.447 138 Y N 1.315 121.406 120.300 -0.349 0.000 2.060 138 Y HA -0.136 4.339 4.550 -0.124 0.000 0.276 138 Y C 2.107 177.815 175.900 -0.320 0.000 1.127 138 Y CA 1.908 59.737 58.100 -0.451 0.000 1.104 138 Y CB -0.453 37.590 38.460 -0.696 0.000 0.983 138 Y HN 0.116 nan 8.280 nan 0.000 0.483 139 L N -0.743 120.269 121.223 -0.351 0.000 2.051 139 L HA -0.306 3.958 4.340 -0.127 0.000 0.214 139 L C 2.484 179.185 176.870 -0.281 0.000 1.076 139 L CA 2.179 56.784 54.840 -0.392 0.000 0.758 139 L CB -1.263 40.714 42.059 -0.138 0.000 0.890 139 L HN 0.416 nan 8.230 nan 0.000 0.433 140 Y N 1.266 121.438 120.300 -0.213 0.000 2.128 140 Y HA -0.256 4.222 4.550 -0.121 0.000 0.284 140 Y C 2.620 178.413 175.900 -0.178 0.000 1.154 140 Y CA 1.736 59.759 58.100 -0.127 0.000 1.149 140 Y CB -0.140 38.348 38.460 0.046 0.000 0.976 140 Y HN 0.133 nan 8.280 nan 0.000 0.505 141 E N 0.038 120.038 120.200 -0.333 0.000 2.150 141 E HA -0.138 4.136 4.350 -0.127 0.000 0.193 141 E C 2.202 178.577 176.600 -0.375 0.000 0.985 141 E CA 1.050 57.217 56.400 -0.388 0.000 0.814 141 E CB -0.113 29.458 29.700 -0.214 0.000 0.752 141 E HN 0.487 nan 8.360 nan 0.000 0.466 142 I N 1.028 121.302 120.570 -0.494 0.000 2.206 142 I HA -0.087 4.007 4.170 -0.127 0.000 0.239 142 I C 2.445 178.364 176.117 -0.330 0.000 1.078 142 I CA 0.891 61.893 61.300 -0.496 0.000 1.367 142 I CB -1.684 35.763 38.000 -0.921 0.000 1.078 142 I HN -0.076 nan 8.210 nan 0.000 0.413 143 A N 1.573 124.152 122.820 -0.401 0.000 2.032 143 A HA -0.234 4.009 4.320 -0.127 0.000 0.221 143 A C 2.372 179.830 177.584 -0.211 0.000 1.165 143 A CA 2.034 53.909 52.037 -0.270 0.000 0.645 143 A CB -0.753 18.089 19.000 -0.264 0.000 0.807 143 A HN 0.594 nan 8.150 nan 0.000 0.453 144 R N -1.222 119.104 120.500 -0.291 0.000 2.240 144 R HA 0.102 4.366 4.340 -0.127 0.000 0.203 144 R C 1.608 177.803 176.300 -0.174 0.000 1.011 144 R CA 0.877 56.810 56.100 -0.278 0.000 1.007 144 R CB -0.164 29.843 30.300 -0.489 0.000 0.911 144 R HN 0.416 nan 8.270 nan 0.000 0.468 145 R N -0.141 120.291 120.500 -0.113 0.000 2.308 145 R HA 0.166 4.430 4.340 -0.127 0.000 0.202 145 R C -0.058 176.118 176.300 -0.207 0.000 0.898 145 R CA 0.205 56.244 56.100 -0.102 0.000 1.046 145 R CB 0.512 30.790 30.300 -0.038 0.000 1.026 145 R HN 0.380 nan 8.270 nan 0.000 0.512 146 H N 0.770 119.817 119.070 -0.038 0.000 2.429 146 H HA 0.161 4.621 4.556 -0.159 0.000 0.231 146 H C -2.004 173.354 175.328 0.050 0.000 1.416 146 H CA -1.662 54.430 56.048 0.073 0.000 1.443 146 H CB 1.520 31.425 29.762 0.238 0.000 1.591 146 H HN -0.046 nan 8.280 nan 0.000 0.507 147 P HA -0.179 nan 4.420 nan 0.000 0.227 147 P C 0.279 177.356 177.300 -0.372 0.000 1.145 147 P CA 1.339 64.323 63.100 -0.192 0.000 0.769 147 P CB 0.007 31.553 31.700 -0.256 0.000 0.769 148 Y N -3.375 116.945 120.300 0.034 0.000 2.527 148 Y HA 0.293 4.773 4.550 -0.117 0.000 0.247 148 Y C 0.895 176.840 175.900 0.076 0.000 1.138 148 Y CA -1.025 57.086 58.100 0.018 0.000 1.228 148 Y CB -0.292 38.155 38.460 -0.021 0.000 1.252 148 Y HN -0.248 nan 8.280 nan 0.000 0.531 149 F N 1.518 121.530 119.950 0.102 0.000 2.612 149 F HA -0.125 4.375 4.527 -0.045 0.000 0.389 149 F C 0.477 176.351 175.800 0.123 0.000 1.055 149 F CA -0.558 57.484 58.000 0.069 0.000 1.232 149 F CB 0.053 39.023 39.000 -0.049 0.000 1.044 149 F HN 0.075 nan 8.300 nan 0.000 0.560 150 Y N 7.482 127.842 120.300 0.099 0.000 2.854 150 Y HA 0.115 4.593 4.550 -0.120 0.000 0.372 150 Y C 1.165 177.236 175.900 0.284 0.000 1.330 150 Y CA -0.460 57.733 58.100 0.156 0.000 1.765 150 Y CB -0.326 38.198 38.460 0.107 0.000 1.277 150 Y HN 0.762 nan 8.280 nan 0.000 0.498 151 A N 7.513 130.448 122.820 0.191 0.000 1.882 151 A HA -0.245 3.999 4.320 -0.127 0.000 0.220 151 A C -0.163 177.380 177.584 -0.068 0.000 1.253 151 A CA 2.091 54.141 52.037 0.023 0.000 0.664 151 A CB -1.869 17.101 19.000 -0.049 0.000 0.838 151 A HN 0.624 nan 8.150 nan 0.000 0.460 152 P HA -0.146 nan 4.420 nan 0.000 0.218 152 P C 1.241 178.486 177.300 -0.092 0.000 1.146 152 P CA 1.356 64.315 63.100 -0.235 0.000 0.813 152 P CB -0.021 31.430 31.700 -0.414 0.000 0.778 153 E N -1.137 119.025 120.200 -0.063 0.000 2.230 153 E HA -0.043 4.230 4.350 -0.127 0.000 0.192 153 E C 1.759 178.755 176.600 0.660 0.000 0.987 153 E CA 0.411 57.026 56.400 0.358 0.000 0.841 153 E CB -0.674 29.345 29.700 0.532 0.000 0.783 153 E HN 0.157 nan 8.360 nan 0.000 0.481 154 L N 0.999 122.459 121.223 0.395 0.000 2.191 154 L HA -0.098 4.166 4.340 -0.127 0.000 0.212 154 L C 2.031 179.011 176.870 0.184 0.000 1.103 154 L CA 1.247 56.154 54.840 0.111 0.000 0.769 154 L CB -0.485 41.399 42.059 -0.292 0.000 0.908 154 L HN 0.070 nan 8.230 nan 0.000 0.438 155 L N -1.994 119.334 121.223 0.174 0.000 2.141 155 L HA -0.193 4.071 4.340 -0.127 0.000 0.209 155 L C 2.433 179.421 176.870 0.197 0.000 1.094 155 L CA 1.238 56.165 54.840 0.145 0.000 0.763 155 L CB -0.751 41.366 42.059 0.097 0.000 0.908 155 L HN 0.300 nan 8.230 nan 0.000 0.437 156 F N 0.532 120.555 119.950 0.121 0.000 2.186 156 F HA -0.171 4.278 4.527 -0.130 0.000 0.299 156 F C 2.110 177.901 175.800 -0.016 0.000 1.090 156 F CA 1.279 59.289 58.000 0.016 0.000 1.307 156 F CB -0.260 38.707 39.000 -0.056 0.000 1.019 156 F HN -0.146 nan 8.300 nan 0.000 0.489 157 F N 0.435 120.447 119.950 0.103 0.000 2.234 157 F HA -0.044 4.413 4.527 -0.116 0.000 0.299 157 F C 2.500 178.322 175.800 0.035 0.000 1.087 157 F CA 1.074 59.103 58.000 0.048 0.000 1.340 157 F CB -1.129 37.985 39.000 0.191 0.000 1.031 157 F HN 0.093 nan 8.300 nan 0.000 0.500 158 A N -0.117 122.858 122.820 0.257 0.000 1.841 158 A HA -0.190 4.054 4.320 -0.127 0.000 0.214 158 A C 2.241 179.866 177.584 0.069 0.000 1.195 158 A CA 1.875 54.037 52.037 0.208 0.000 0.611 158 A CB -1.025 18.095 19.000 0.200 0.000 0.835 158 A HN 0.152 nan 8.150 nan 0.000 0.443 159 K N -0.298 120.092 120.400 -0.017 0.000 2.113 159 K HA -0.158 4.086 4.320 -0.127 0.000 0.208 159 K C 2.313 178.829 176.600 -0.139 0.000 1.047 159 K CA 1.902 58.148 56.287 -0.068 0.000 0.928 159 K CB -0.624 31.810 32.500 -0.111 0.000 0.716 159 K HN 0.639 nan 8.250 nan 0.000 0.446 160 R N -1.789 118.549 120.500 -0.271 0.000 2.061 160 R HA -0.088 4.176 4.340 -0.127 0.000 0.230 160 R C 2.384 178.608 176.300 -0.127 0.000 1.140 160 R CA 2.069 57.996 56.100 -0.287 0.000 0.940 160 R CB -0.649 29.388 30.300 -0.438 0.000 0.839 160 R HN 0.573 nan 8.270 nan 0.000 0.429 161 Y N 1.775 121.946 120.300 -0.215 0.000 2.193 161 Y HA -0.324 4.152 4.550 -0.124 0.000 0.285 161 Y C 2.284 178.099 175.900 -0.141 0.000 1.166 161 Y CA 1.933 59.879 58.100 -0.256 0.000 1.181 161 Y CB -0.069 38.017 38.460 -0.622 0.000 0.976 161 Y HN -0.044 nan 8.280 nan 0.000 0.520 162 K N -0.192 120.184 120.400 -0.040 0.000 2.025 162 K HA -0.129 4.115 4.320 -0.127 0.000 0.207 162 K C 2.240 178.785 176.600 -0.090 0.000 1.049 162 K CA 1.100 57.364 56.287 -0.038 0.000 0.933 162 K CB -0.413 32.157 32.500 0.117 0.000 0.714 162 K HN 0.347 nan 8.250 nan 0.000 0.438 163 A N 0.850 123.624 122.820 -0.078 0.000 2.070 163 A HA -0.083 4.161 4.320 -0.127 0.000 0.220 163 A C 2.157 179.654 177.584 -0.146 0.000 1.159 163 A CA 1.666 53.657 52.037 -0.077 0.000 0.656 163 A CB -0.556 18.394 19.000 -0.083 0.000 0.800 163 A HN 0.484 nan 8.150 nan 0.000 0.453 164 A N -0.817 121.859 122.820 -0.239 0.000 1.855 164 A HA 0.060 4.304 4.320 -0.127 0.000 0.215 164 A C 1.915 179.223 177.584 -0.461 0.000 1.191 164 A CA 1.450 53.271 52.037 -0.359 0.000 0.613 164 A CB -0.681 18.028 19.000 -0.485 0.000 0.829 164 A HN 0.459 nan 8.150 nan 0.000 0.442 165 F N 0.134 119.725 119.950 -0.598 0.000 2.163 165 F HA -0.072 4.378 4.527 -0.129 0.000 0.297 165 F C 2.764 178.302 175.800 -0.436 0.000 1.094 165 F CA 1.663 59.226 58.000 -0.728 0.000 1.290 165 F CB -0.875 37.212 39.000 -1.523 0.000 1.017 165 F HN 0.097 nan 8.300 nan 0.000 0.483 166 T N -0.634 113.864 114.554 -0.093 0.000 2.778 166 T HA -0.261 4.013 4.350 -0.127 0.000 0.269 166 T C 1.857 176.627 174.700 0.115 0.000 1.050 166 T CA 1.900 64.129 62.100 0.215 0.000 1.137 166 T CB -0.197 68.790 68.868 0.199 0.000 0.860 166 T HN 0.409 nan 8.240 nan 0.000 0.468 167 E N -0.879 119.318 120.200 -0.005 0.000 2.094 167 E HA -0.031 4.242 4.350 -0.127 0.000 0.193 167 E C 2.325 178.901 176.600 -0.039 0.000 0.950 167 E CA 0.469 56.859 56.400 -0.015 0.000 0.842 167 E CB -0.104 29.567 29.700 -0.047 0.000 0.816 167 E HN 0.401 nan 8.360 nan 0.000 0.465 168 c N 0.956 119.486 118.600 -0.117 0.000 2.411 168 c HA -0.117 4.377 4.570 -0.127 0.000 0.279 168 c C 2.725 176.768 174.090 -0.078 0.000 1.288 168 c CA 0.393 56.644 56.329 -0.131 0.000 1.764 168 c CB -1.051 41.315 42.510 -0.239 0.000 1.974 168 c HN 0.632 nan 8.230 nan 0.000 0.498 169 c N -0.022 118.550 118.600 -0.046 0.000 2.449 169 c HA -0.028 4.466 4.570 -0.127 0.000 0.283 169 c C 2.821 176.973 174.090 0.102 0.000 1.453 169 c CA 1.664 58.015 56.329 0.036 0.000 1.779 169 c CB -1.807 40.733 42.510 0.051 0.000 1.779 169 c HN 0.814 nan 8.230 nan 0.000 0.546 170 Q N -0.613 119.235 119.800 0.081 0.000 2.204 170 Q HA 0.678 4.942 4.340 -0.127 0.000 0.209 170 Q C 0.708 176.726 176.000 0.030 0.000 0.861 170 Q CA 0.717 56.564 55.803 0.074 0.000 0.971 170 Q CB -0.205 28.580 28.738 0.079 0.000 1.095 170 Q HN 0.717 nan 8.270 nan 0.000 0.486 171 A N -0.115 122.711 122.820 0.010 0.000 2.336 171 A HA 0.829 5.073 4.320 -0.127 0.000 0.278 171 A C 1.509 179.092 177.584 -0.001 0.000 1.371 171 A CA 0.360 52.394 52.037 -0.006 0.000 0.842 171 A CB 0.039 19.023 19.000 -0.027 0.000 1.363 171 A HN 1.078 nan 8.150 nan 0.000 0.517 172 A N -1.858 120.957 122.820 -0.008 0.000 2.288 172 A HA 0.435 4.679 4.320 -0.127 0.000 0.216 172 A C 0.114 177.693 177.584 -0.008 0.000 1.199 172 A CA 1.020 53.054 52.037 -0.005 0.000 0.891 172 A CB 0.123 19.119 19.000 -0.006 0.000 0.923 172 A HN 0.632 nan 8.150 nan 0.000 0.500 173 D N -1.460 118.931 120.400 -0.015 0.000 2.351 173 D HA 0.395 4.959 4.640 -0.127 0.000 0.235 173 D C 0.894 177.175 176.300 -0.031 0.000 1.331 173 D CA 0.546 54.535 54.000 -0.018 0.000 0.959 173 D CB 0.646 41.435 40.800 -0.019 0.000 1.432 173 D HN 0.031 nan 8.370 nan 0.000 0.544 174 K N 1.481 121.863 120.400 -0.031 0.000 2.057 174 K HA 0.022 4.266 4.320 -0.127 0.000 0.207 174 K C 2.012 178.566 176.600 -0.077 0.000 1.049 174 K CA 1.791 58.043 56.287 -0.058 0.000 0.931 174 K CB -0.812 31.660 32.500 -0.046 0.000 0.714 174 K HN 0.475 nan 8.250 nan 0.000 0.440 175 A N 1.007 123.797 122.820 -0.051 0.000 1.948 175 A HA 0.112 4.356 4.320 -0.127 0.000 0.220 175 A C 2.745 180.294 177.584 -0.057 0.000 1.177 175 A CA 2.452 54.460 52.037 -0.050 0.000 0.636 175 A CB -0.788 18.197 19.000 -0.025 0.000 0.815 175 A HN 0.972 nan 8.150 nan 0.000 0.449 176 A N -1.775 121.015 122.820 -0.050 0.000 1.930 176 A HA -0.071 4.173 4.320 -0.127 0.000 0.215 176 A C 2.345 179.891 177.584 -0.064 0.000 1.176 176 A CA 1.420 53.429 52.037 -0.047 0.000 0.632 176 A CB -1.138 17.841 19.000 -0.034 0.000 0.819 176 A HN 0.786 nan 8.150 nan 0.000 0.445 177 c N -1.373 117.179 118.600 -0.080 0.000 2.475 177 c HA 0.285 4.779 4.570 -0.127 0.000 0.279 177 c C 2.822 176.823 174.090 -0.149 0.000 1.322 177 c CA 1.221 57.490 56.329 -0.100 0.000 1.734 177 c CB -1.224 41.228 42.510 -0.097 0.000 2.005 177 c HN 0.613 nan 8.230 nan 0.000 0.495 178 L N 0.574 121.683 121.223 -0.190 0.000 1.995 178 L HA 0.188 4.452 4.340 -0.127 0.000 0.206 178 L C 2.533 179.279 176.870 -0.207 0.000 1.098 178 L CA 2.015 56.684 54.840 -0.286 0.000 0.762 178 L CB -1.812 40.017 42.059 -0.385 0.000 0.900 178 L HN 0.422 nan 8.230 nan 0.000 0.441 179 L N -0.379 120.755 121.223 -0.148 0.000 2.255 179 L HA -0.306 3.958 4.340 -0.127 0.000 0.236 179 L C 0.840 177.671 176.870 -0.066 0.000 1.129 179 L CA 3.358 58.148 54.840 -0.084 0.000 0.853 179 L CB -2.284 39.745 42.059 -0.051 0.000 0.942 179 L HN 0.357 nan 8.230 nan 0.000 0.451 180 P HA -0.185 nan 4.420 nan 0.000 0.208 180 P C 1.502 178.776 177.300 -0.043 0.000 1.189 180 P CA 1.521 64.595 63.100 -0.042 0.000 0.931 180 P CB -0.155 31.518 31.700 -0.044 0.000 0.783 181 K N -0.611 119.743 120.400 -0.075 0.000 2.173 181 K HA -0.161 4.083 4.320 -0.127 0.000 0.207 181 K C 2.120 178.685 176.600 -0.058 0.000 1.046 181 K CA 1.182 57.422 56.287 -0.078 0.000 0.929 181 K CB -0.790 31.628 32.500 -0.136 0.000 0.720 181 K HN 0.193 nan 8.250 nan 0.000 0.453 182 L N 0.783 121.956 121.223 -0.082 0.000 2.109 182 L HA -0.162 4.102 4.340 -0.127 0.000 0.207 182 L C 1.985 178.885 176.870 0.051 0.000 1.086 182 L CA 1.092 55.919 54.840 -0.023 0.000 0.760 182 L CB -0.367 41.656 42.059 -0.061 0.000 0.910 182 L HN 0.234 nan 8.230 nan 0.000 0.437 183 D N 0.029 120.447 120.400 0.030 0.000 2.084 183 D HA -0.234 4.330 4.640 -0.127 0.000 0.196 183 D C 1.900 178.245 176.300 0.075 0.000 0.985 183 D CA 1.295 55.328 54.000 0.054 0.000 0.826 183 D CB 0.069 40.890 40.800 0.035 0.000 0.978 183 D HN 0.357 nan 8.370 nan 0.000 0.456 184 E N 0.576 120.813 120.200 0.062 0.000 2.171 184 E HA -0.176 4.098 4.350 -0.127 0.000 0.197 184 E C 2.212 178.892 176.600 0.135 0.000 0.997 184 E CA 0.708 57.158 56.400 0.082 0.000 0.810 184 E CB -0.065 29.668 29.700 0.055 0.000 0.738 184 E HN 0.238 nan 8.360 nan 0.000 0.467 185 L N 0.259 121.573 121.223 0.150 0.000 2.162 185 L HA -0.025 4.239 4.340 -0.127 0.000 0.205 185 L C 2.910 179.931 176.870 0.253 0.000 1.086 185 L CA 0.972 55.959 54.840 0.246 0.000 0.778 185 L CB -0.433 41.776 42.059 0.251 0.000 0.928 185 L HN 0.213 nan 8.230 nan 0.000 0.446 186 R N 0.311 120.921 120.500 0.182 0.000 2.096 186 R HA -0.189 4.075 4.340 -0.127 0.000 0.235 186 R C 1.479 177.861 176.300 0.137 0.000 1.127 186 R CA 1.899 58.087 56.100 0.147 0.000 0.968 186 R CB -0.141 30.232 30.300 0.122 0.000 0.861 186 R HN 0.316 nan 8.270 nan 0.000 0.440 187 D N 0.625 121.111 120.400 0.144 0.000 2.084 187 D HA -0.177 4.387 4.640 -0.127 0.000 0.199 187 D C 1.699 178.101 176.300 0.170 0.000 0.981 187 D CA 1.401 55.483 54.000 0.137 0.000 0.841 187 D CB -0.486 40.386 40.800 0.119 0.000 0.997 187 D HN 0.396 nan 8.370 nan 0.000 0.454 188 E N 0.363 120.699 120.200 0.227 0.000 2.219 188 E HA -0.161 4.113 4.350 -0.127 0.000 0.198 188 E C 1.953 178.767 176.600 0.357 0.000 0.998 188 E CA 1.460 58.055 56.400 0.325 0.000 0.818 188 E CB -0.251 29.700 29.700 0.419 0.000 0.741 188 E HN 0.276 nan 8.360 nan 0.000 0.477 189 G N -0.256 108.687 108.800 0.239 0.000 2.408 189 G HA2 -0.200 3.684 3.960 -0.127 0.000 0.215 189 G HA3 -0.200 3.684 3.960 -0.127 0.000 0.215 189 G C 1.726 176.610 174.900 -0.027 0.000 1.156 189 G CA 0.469 45.553 45.100 -0.027 0.000 0.793 189 G HN 0.088 nan 8.290 nan 0.000 0.535 190 K N 0.701 121.134 120.400 0.055 0.000 2.148 190 K HA 0.261 4.505 4.320 -0.127 0.000 0.204 190 K C 2.985 179.620 176.600 0.058 0.000 1.050 190 K CA 1.049 57.394 56.287 0.097 0.000 0.942 190 K CB -0.522 32.061 32.500 0.139 0.000 0.724 190 K HN 0.462 nan 8.250 nan 0.000 0.446 191 A N 0.573 123.439 122.820 0.077 0.000 1.841 191 A HA -0.141 4.103 4.320 -0.127 0.000 0.214 191 A C 2.336 179.927 177.584 0.012 0.000 1.195 191 A CA 2.024 54.113 52.037 0.086 0.000 0.611 191 A CB -1.240 17.845 19.000 0.142 0.000 0.835 191 A HN 0.425 nan 8.150 nan 0.000 0.443 192 S N -0.500 115.202 115.700 0.002 0.000 2.392 192 S HA -0.198 4.196 4.470 -0.127 0.000 0.232 192 S C 2.308 176.699 174.600 -0.348 0.000 1.041 192 S CA 2.197 60.342 58.200 -0.092 0.000 1.026 192 S CB -0.493 62.702 63.200 -0.010 0.000 0.845 192 S HN 0.647 nan 8.310 nan 0.000 0.465 193 S N 0.351 115.765 115.700 -0.477 0.000 2.368 193 S HA 0.037 4.431 4.470 -0.127 0.000 0.224 193 S C 2.088 176.582 174.600 -0.177 0.000 1.029 193 S CA 1.356 59.290 58.200 -0.444 0.000 0.988 193 S CB -0.744 62.378 63.200 -0.130 0.000 0.838 193 S HN 0.712 nan 8.310 nan 0.000 0.462 194 A N 1.036 123.793 122.820 -0.104 0.000 1.898 194 A HA -0.030 4.213 4.320 -0.127 0.000 0.216 194 A C 2.124 179.628 177.584 -0.133 0.000 1.181 194 A CA 1.694 53.672 52.037 -0.098 0.000 0.620 194 A CB -0.662 18.295 19.000 -0.071 0.000 0.819 194 A HN 0.581 nan 8.150 nan 0.000 0.442 195 K N -1.112 119.219 120.400 -0.115 0.000 2.113 195 K HA -0.244 4.000 4.320 -0.127 0.000 0.208 195 K C 2.326 178.809 176.600 -0.196 0.000 1.047 195 K CA 1.915 58.126 56.287 -0.126 0.000 0.928 195 K CB -0.065 32.396 32.500 -0.065 0.000 0.716 195 K HN 0.549 nan 8.250 nan 0.000 0.446 196 Q N 0.145 119.830 119.800 -0.192 0.000 2.212 196 Q HA -0.064 4.200 4.340 -0.127 0.000 0.199 196 Q C 1.802 177.696 176.000 -0.177 0.000 0.950 196 Q CA 1.046 56.728 55.803 -0.201 0.000 0.863 196 Q CB 0.041 28.685 28.738 -0.157 0.000 0.944 196 Q HN 0.028 nan 8.270 nan 0.000 0.465 197 R N -0.087 120.311 120.500 -0.170 0.000 2.127 197 R HA -0.114 4.150 4.340 -0.127 0.000 0.238 197 R C 1.809 177.957 176.300 -0.254 0.000 1.134 197 R CA 1.253 57.213 56.100 -0.233 0.000 0.975 197 R CB -0.735 29.435 30.300 -0.217 0.000 0.865 197 R HN 0.420 nan 8.270 nan 0.000 0.447 198 L N 0.573 121.659 121.223 -0.227 0.000 2.056 198 L HA -0.015 4.249 4.340 -0.127 0.000 0.207 198 L C 1.737 178.464 176.870 -0.239 0.000 1.078 198 L CA 1.886 56.590 54.840 -0.227 0.000 0.749 198 L CB -0.499 41.407 42.059 -0.254 0.000 0.901 198 L HN 0.090 nan 8.230 nan 0.000 0.433 199 K N -1.344 118.882 120.400 -0.290 0.000 2.152 199 K HA -0.173 4.071 4.320 -0.127 0.000 0.206 199 K C 2.043 178.549 176.600 -0.157 0.000 1.048 199 K CA 1.701 57.831 56.287 -0.263 0.000 0.933 199 K CB -0.301 31.977 32.500 -0.371 0.000 0.721 199 K HN 0.469 nan 8.250 nan 0.000 0.447 200 c N -0.421 118.090 118.600 -0.148 0.000 2.485 200 c HA 0.131 4.625 4.570 -0.127 0.000 0.278 200 c C 2.704 176.741 174.090 -0.090 0.000 1.356 200 c CA 0.283 56.556 56.329 -0.092 0.000 1.747 200 c CB -0.487 42.007 42.510 -0.026 0.000 2.001 200 c HN 0.514 nan 8.230 nan 0.000 0.501 201 A N 1.066 123.810 122.820 -0.126 0.000 1.902 201 A HA -0.124 4.120 4.320 -0.127 0.000 0.217 201 A C 2.224 179.858 177.584 0.083 0.000 1.181 201 A CA 2.278 54.276 52.037 -0.065 0.000 0.623 201 A CB -0.716 18.242 19.000 -0.070 0.000 0.818 201 A HN 0.548 nan 8.150 nan 0.000 0.443 202 S N 0.261 116.024 115.700 0.104 0.000 2.354 202 S HA -0.159 4.235 4.470 -0.127 0.000 0.219 202 S C 1.874 176.607 174.600 0.221 0.000 1.035 202 S CA 1.604 59.947 58.200 0.239 0.000 1.037 202 S CB -0.715 62.547 63.200 0.103 0.000 0.956 202 S HN 0.482 nan 8.310 nan 0.000 0.428 203 L N 1.450 122.739 121.223 0.110 0.000 1.997 203 L HA -0.265 3.999 4.340 -0.127 0.000 0.216 203 L C 2.879 179.776 176.870 0.045 0.000 1.074 203 L CA 1.614 56.486 54.840 0.054 0.000 0.763 203 L CB -0.663 41.347 42.059 -0.081 0.000 0.890 203 L HN 0.399 nan 8.230 nan 0.000 0.434 204 Q N -0.814 118.997 119.800 0.018 0.000 2.079 204 Q HA -0.155 4.109 4.340 -0.127 0.000 0.200 204 Q C 2.377 178.341 176.000 -0.060 0.000 0.974 204 Q CA 1.509 57.309 55.803 -0.005 0.000 0.840 204 Q CB 0.019 28.754 28.738 -0.005 0.000 0.898 204 Q HN 0.299 nan 8.270 nan 0.000 0.430 205 K N -0.761 119.569 120.400 -0.116 0.000 2.276 205 K HA 0.103 4.346 4.320 -0.127 0.000 0.198 205 K C 1.350 177.637 176.600 -0.523 0.000 1.052 205 K CA 0.524 56.593 56.287 -0.363 0.000 0.984 205 K CB 0.164 32.333 32.500 -0.551 0.000 0.836 205 K HN 0.241 nan 8.250 nan 0.000 0.490 206 F N -0.058 119.895 119.950 0.004 0.000 2.724 206 F HA 0.461 4.906 4.527 -0.137 0.000 0.306 206 F C 1.162 176.983 175.800 0.035 0.000 1.100 206 F CA 0.295 58.306 58.000 0.018 0.000 1.255 206 F CB 0.944 39.954 39.000 0.018 0.000 1.072 206 F HN 0.301 nan 8.300 nan 0.000 0.589 207 G N 1.402 110.309 108.800 0.178 0.000 2.675 207 G HA2 -0.188 3.696 3.960 -0.127 0.000 0.686 207 G HA3 -0.188 3.696 3.960 -0.127 0.000 0.686 207 G C 0.407 175.407 174.900 0.166 0.000 1.215 207 G CA -0.256 44.926 45.100 0.136 0.000 0.777 207 G HN 0.436 nan 8.290 nan 0.000 0.638 208 E N -0.211 120.069 120.200 0.134 0.000 2.409 208 E HA -0.027 4.247 4.350 -0.127 0.000 0.198 208 E C 2.200 178.924 176.600 0.205 0.000 1.024 208 E CA 1.190 57.694 56.400 0.174 0.000 0.861 208 E CB 0.064 29.829 29.700 0.109 0.000 0.788 208 E HN 0.488 nan 8.360 nan 0.000 0.521 209 R N 0.216 120.813 120.500 0.162 0.000 2.090 209 R HA 0.130 4.394 4.340 -0.127 0.000 0.228 209 R C 2.255 178.648 176.300 0.155 0.000 1.110 209 R CA 1.222 57.410 56.100 0.148 0.000 0.973 209 R CB -0.960 29.414 30.300 0.122 0.000 0.869 209 R HN 0.521 nan 8.270 nan 0.000 0.440 210 A N -0.357 122.563 122.820 0.168 0.000 1.855 210 A HA -0.044 4.200 4.320 -0.127 0.000 0.215 210 A C 2.083 179.762 177.584 0.157 0.000 1.191 210 A CA 1.604 53.724 52.037 0.139 0.000 0.613 210 A CB -0.857 18.235 19.000 0.154 0.000 0.829 210 A HN 0.608 nan 8.150 nan 0.000 0.442 211 F N 0.583 120.580 119.950 0.078 0.000 2.134 211 F HA -0.158 4.282 4.527 -0.144 0.000 0.299 211 F C 2.128 178.027 175.800 0.165 0.000 1.097 211 F CA 2.217 60.267 58.000 0.083 0.000 1.264 211 F CB -0.172 38.843 39.000 0.025 0.000 1.001 211 F HN 0.133 nan 8.300 nan 0.000 0.479 212 K N 0.257 120.824 120.400 0.279 0.000 2.063 212 K HA -0.185 4.059 4.320 -0.127 0.000 0.208 212 K C 2.293 178.930 176.600 0.060 0.000 1.048 212 K CA 1.462 57.859 56.287 0.185 0.000 0.928 212 K CB -0.606 32.007 32.500 0.187 0.000 0.713 212 K HN 0.364 nan 8.250 nan 0.000 0.442 213 A N 0.050 122.911 122.820 0.069 0.000 1.877 213 A HA -0.215 4.029 4.320 -0.127 0.000 0.216 213 A C 1.991 179.556 177.584 -0.032 0.000 1.186 213 A CA 1.644 53.703 52.037 0.036 0.000 0.620 213 A CB -1.121 17.910 19.000 0.051 0.000 0.822 213 A HN 0.671 nan 8.150 nan 0.000 0.443 214 W N 0.695 121.851 121.300 -0.240 0.000 2.335 214 W HA -0.172 4.433 4.660 -0.091 0.000 0.311 214 W C 2.418 178.729 176.519 -0.347 0.000 1.213 214 W CA 2.485 59.642 57.345 -0.314 0.000 1.274 214 W CB -0.215 28.994 29.460 -0.417 0.000 1.148 214 W HN 0.368 nan 8.180 nan 0.000 0.498 215 A N -0.059 122.615 122.820 -0.243 0.000 1.877 215 A HA -0.206 4.038 4.320 -0.127 0.000 0.216 215 A C 2.029 179.426 177.584 -0.312 0.000 1.186 215 A CA 2.514 54.351 52.037 -0.334 0.000 0.620 215 A CB -1.321 17.606 19.000 -0.121 0.000 0.822 215 A HN 0.213 nan 8.150 nan 0.000 0.443 216 V N -0.069 119.747 119.914 -0.164 0.000 2.252 216 V HA -0.309 3.734 4.120 -0.127 0.000 0.249 216 V C 3.073 179.085 176.094 -0.137 0.000 1.056 216 V CA 2.219 64.477 62.300 -0.071 0.000 1.022 216 V CB -1.373 30.474 31.823 0.040 0.000 0.641 216 V HN 0.645 nan 8.190 nan 0.000 0.445 217 A N 0.058 122.731 122.820 -0.245 0.000 1.858 217 A HA -0.267 3.977 4.320 -0.127 0.000 0.216 217 A C 2.305 179.645 177.584 -0.407 0.000 1.190 217 A CA 2.269 54.127 52.037 -0.297 0.000 0.617 217 A CB -0.585 18.218 19.000 -0.329 0.000 0.827 217 A HN 0.453 nan 8.150 nan 0.000 0.443 218 R N 0.081 120.182 120.500 -0.665 0.000 2.080 218 R HA -0.047 4.217 4.340 -0.127 0.000 0.236 218 R C 1.978 177.964 176.300 -0.523 0.000 1.137 218 R CA 1.834 57.496 56.100 -0.730 0.000 0.943 218 R CB -0.812 28.713 30.300 -1.291 0.000 0.846 218 R HN 0.531 nan 8.270 nan 0.000 0.431 219 L N -0.337 120.624 121.223 -0.436 0.000 2.093 219 L HA -0.108 4.156 4.340 -0.127 0.000 0.208 219 L C 2.223 178.942 176.870 -0.252 0.000 1.085 219 L CA 1.550 56.179 54.840 -0.351 0.000 0.755 219 L CB -0.492 41.506 42.059 -0.103 0.000 0.904 219 L HN 0.215 nan 8.230 nan 0.000 0.435 220 S N -0.714 114.914 115.700 -0.120 0.000 2.419 220 S HA -0.205 4.189 4.470 -0.127 0.000 0.233 220 S C 1.914 176.426 174.600 -0.147 0.000 1.016 220 S CA 1.104 59.296 58.200 -0.013 0.000 0.974 220 S CB -0.089 63.128 63.200 0.029 0.000 0.786 220 S HN 0.435 nan 8.310 nan 0.000 0.492 221 Q N 0.467 120.123 119.800 -0.241 0.000 2.062 221 Q HA 0.069 4.333 4.340 -0.127 0.000 0.196 221 Q C 2.488 178.329 176.000 -0.265 0.000 0.967 221 Q CA 0.832 56.487 55.803 -0.246 0.000 0.832 221 Q CB -0.045 28.535 28.738 -0.263 0.000 0.899 221 Q HN 0.357 nan 8.270 nan 0.000 0.442 222 R N -0.433 119.812 120.500 -0.425 0.000 2.081 222 R HA -0.084 4.180 4.340 -0.127 0.000 0.235 222 R C 0.076 176.132 176.300 -0.407 0.000 1.131 222 R CA 0.937 56.693 56.100 -0.574 0.000 0.960 222 R CB 0.221 29.876 30.300 -1.075 0.000 0.856 222 R HN 0.096 nan 8.270 nan 0.000 0.436 223 F N -0.266 119.663 119.950 -0.034 0.000 2.532 223 F HA 0.366 4.818 4.527 -0.124 0.000 0.313 223 F C -1.906 173.901 175.800 0.012 0.000 1.301 223 F CA -3.165 54.832 58.000 -0.005 0.000 1.154 223 F CB 0.891 39.902 39.000 0.020 0.000 1.335 223 F HN -0.140 nan 8.300 nan 0.000 0.542 224 P HA -0.207 nan 4.420 nan 0.000 0.217 224 P C 1.232 178.575 177.300 0.071 0.000 1.148 224 P CA 1.839 64.950 63.100 0.019 0.000 0.834 224 P CB 0.217 31.886 31.700 -0.052 0.000 0.783 225 K N -1.173 119.286 120.400 0.099 0.000 2.365 225 K HA 0.179 4.423 4.320 -0.127 0.000 0.197 225 K C 1.159 177.836 176.600 0.127 0.000 1.042 225 K CA 0.011 56.351 56.287 0.088 0.000 0.987 225 K CB -0.187 32.346 32.500 0.054 0.000 0.779 225 K HN 0.102 nan 8.250 nan 0.000 0.484 226 A N 1.988 124.914 122.820 0.176 0.000 2.409 226 A HA 0.023 4.267 4.320 -0.127 0.000 0.246 226 A C -0.008 177.706 177.584 0.217 0.000 1.099 226 A CA 0.094 52.231 52.037 0.166 0.000 0.789 226 A CB 0.248 19.369 19.000 0.202 0.000 1.053 226 A HN 0.155 nan 8.150 nan 0.000 0.503 227 E N -1.087 119.182 120.200 0.115 0.000 2.232 227 E HA 0.354 4.627 4.350 -0.127 0.000 0.265 227 E C 0.181 176.689 176.600 -0.153 0.000 1.001 227 E CA -0.649 55.788 56.400 0.063 0.000 0.870 227 E CB 1.004 30.732 29.700 0.048 0.000 1.175 227 E HN 0.577 nan 8.360 nan 0.000 0.407 228 F N 1.937 121.562 119.950 -0.543 0.000 2.095 228 F HA -0.184 4.266 4.527 -0.128 0.000 0.298 228 F C 1.918 177.546 175.800 -0.288 0.000 1.104 228 F CA 2.103 59.663 58.000 -0.734 0.000 1.232 228 F CB -0.432 38.187 39.000 -0.634 0.000 0.987 228 F HN 0.584 nan 8.300 nan 0.000 0.475 229 A N -0.457 122.222 122.820 -0.234 0.000 1.940 229 A HA -0.241 4.003 4.320 -0.127 0.000 0.219 229 A C 2.096 179.560 177.584 -0.201 0.000 1.176 229 A CA 1.956 53.861 52.037 -0.221 0.000 0.631 229 A CB -0.883 18.084 19.000 -0.055 0.000 0.814 229 A HN 0.474 nan 8.150 nan 0.000 0.446 230 E N -0.194 119.930 120.200 -0.126 0.000 2.028 230 E HA -0.090 4.184 4.350 -0.127 0.000 0.190 230 E C 1.884 178.444 176.600 -0.068 0.000 0.984 230 E CA 1.436 57.807 56.400 -0.049 0.000 0.800 230 E CB -0.428 29.278 29.700 0.010 0.000 0.758 230 E HN 0.214 nan 8.360 nan 0.000 0.448 231 V N 0.780 120.633 119.914 -0.102 0.000 2.282 231 V HA -0.333 3.711 4.120 -0.127 0.000 0.249 231 V C 2.320 178.335 176.094 -0.133 0.000 1.057 231 V CA 2.154 64.420 62.300 -0.057 0.000 1.032 231 V CB -0.874 30.924 31.823 -0.040 0.000 0.645 231 V HN 0.282 nan 8.190 nan 0.000 0.447 232 S N -0.352 115.155 115.700 -0.322 0.000 2.370 232 S HA -0.265 4.129 4.470 -0.127 0.000 0.226 232 S C 2.000 176.512 174.600 -0.146 0.000 1.033 232 S CA 1.609 59.634 58.200 -0.292 0.000 1.011 232 S CB -0.406 62.511 63.200 -0.472 0.000 0.852 232 S HN 0.532 nan 8.310 nan 0.000 0.457 233 K N 1.651 121.969 120.400 -0.138 0.000 2.020 233 K HA -0.089 4.155 4.320 -0.127 0.000 0.212 233 K C 2.056 178.607 176.600 -0.082 0.000 1.050 233 K CA 1.344 57.563 56.287 -0.112 0.000 0.929 233 K CB -0.618 31.811 32.500 -0.118 0.000 0.714 233 K HN 0.387 nan 8.250 nan 0.000 0.443 234 L N 0.632 121.837 121.223 -0.029 0.000 2.017 234 L HA -0.187 4.077 4.340 -0.127 0.000 0.208 234 L C 2.595 179.510 176.870 0.075 0.000 1.073 234 L CA 1.015 55.880 54.840 0.042 0.000 0.745 234 L CB -0.598 41.534 42.059 0.122 0.000 0.894 234 L HN -0.036 nan 8.230 nan 0.000 0.432 235 V N -0.128 119.820 119.914 0.057 0.000 2.407 235 V HA -0.273 3.771 4.120 -0.127 0.000 0.248 235 V C 2.600 178.769 176.094 0.125 0.000 1.055 235 V CA 2.343 64.703 62.300 0.101 0.000 1.049 235 V CB -0.898 30.956 31.823 0.051 0.000 0.662 235 V HN 0.546 nan 8.190 nan 0.000 0.455 236 T N -0.497 114.091 114.554 0.055 0.000 2.708 236 T HA -0.199 4.075 4.350 -0.127 0.000 0.266 236 T C 1.598 176.334 174.700 0.060 0.000 1.037 236 T CA 1.686 63.816 62.100 0.050 0.000 1.146 236 T CB -0.371 68.497 68.868 -0.001 0.000 0.865 236 T HN 0.455 nan 8.240 nan 0.000 0.435 237 D N 1.146 121.568 120.400 0.037 0.000 2.078 237 D HA -0.025 4.538 4.640 -0.127 0.000 0.193 237 D C 2.102 178.463 176.300 0.103 0.000 0.990 237 D CA 0.570 54.592 54.000 0.036 0.000 0.827 237 D CB -0.752 40.044 40.800 -0.007 0.000 0.975 237 D HN 0.121 nan 8.370 nan 0.000 0.451 238 L N 1.040 122.366 121.223 0.171 0.000 2.089 238 L HA -0.209 4.055 4.340 -0.127 0.000 0.213 238 L C 2.113 179.186 176.870 0.339 0.000 1.079 238 L CA 1.815 56.830 54.840 0.292 0.000 0.758 238 L CB -0.958 41.320 42.059 0.364 0.000 0.891 238 L HN 0.002 nan 8.230 nan 0.000 0.433 239 T N -1.263 113.469 114.554 0.298 0.000 2.674 239 T HA -0.231 4.043 4.350 -0.127 0.000 0.265 239 T C 2.001 176.689 174.700 -0.020 0.000 1.039 239 T CA 1.698 63.883 62.100 0.140 0.000 1.150 239 T CB -0.280 68.717 68.868 0.215 0.000 0.864 239 T HN 0.310 nan 8.240 nan 0.000 0.427 240 K N 0.897 121.314 120.400 0.028 0.000 2.044 240 K HA -0.132 4.112 4.320 -0.127 0.000 0.210 240 K C 2.385 178.974 176.600 -0.018 0.000 1.049 240 K CA 1.390 57.675 56.287 -0.005 0.000 0.927 240 K CB -1.179 31.325 32.500 0.005 0.000 0.713 240 K HN 0.333 nan 8.250 nan 0.000 0.443 241 V N 1.064 120.978 119.914 0.001 0.000 2.214 241 V HA -0.305 3.739 4.120 -0.127 0.000 0.247 241 V C 2.588 178.622 176.094 -0.101 0.000 1.051 241 V CA 2.451 64.727 62.300 -0.040 0.000 1.003 241 V CB -0.816 30.986 31.823 -0.035 0.000 0.635 241 V HN 0.651 nan 8.190 nan 0.000 0.447 242 H N 0.032 119.059 119.070 -0.072 0.000 2.457 242 H HA -0.121 4.358 4.556 -0.128 0.000 0.297 242 H C 2.405 177.620 175.328 -0.188 0.000 1.092 242 H CA 1.935 57.874 56.048 -0.181 0.000 1.309 242 H CB -0.402 29.113 29.762 -0.411 0.000 1.382 242 H HN 0.498 nan 8.280 nan 0.000 0.535 243 T N 0.514 115.011 114.554 -0.094 0.000 2.777 243 T HA -0.114 4.160 4.350 -0.127 0.000 0.266 243 T C 1.915 176.615 174.700 0.000 0.000 1.040 243 T CA 1.201 63.257 62.100 -0.073 0.000 1.141 243 T CB -0.006 68.816 68.868 -0.077 0.000 0.868 243 T HN 0.470 nan 8.240 nan 0.000 0.444 244 E N 0.095 120.291 120.200 -0.006 0.000 2.028 244 E HA -0.088 4.186 4.350 -0.127 0.000 0.191 244 E C 2.488 179.110 176.600 0.037 0.000 0.988 244 E CA 1.025 57.437 56.400 0.021 0.000 0.799 244 E CB -0.299 29.393 29.700 -0.013 0.000 0.755 244 E HN 0.352 nan 8.360 nan 0.000 0.447 245 c N 0.271 118.880 118.600 0.015 0.000 2.411 245 c HA -0.171 4.323 4.570 -0.127 0.000 0.279 245 c C 2.718 176.830 174.090 0.037 0.000 1.288 245 c CA 0.509 56.857 56.329 0.031 0.000 1.764 245 c CB -0.777 41.797 42.510 0.108 0.000 1.974 245 c HN 0.618 nan 8.230 nan 0.000 0.498 246 c N -2.150 116.487 118.600 0.062 0.000 2.495 246 c HA -0.016 4.478 4.570 -0.127 0.000 0.275 246 c C 2.280 176.424 174.090 0.089 0.000 1.392 246 c CA 0.812 57.197 56.329 0.092 0.000 1.766 246 c CB -1.756 40.803 42.510 0.083 0.000 1.933 246 c HN 0.769 nan 8.230 nan 0.000 0.519 247 H N -0.051 119.023 119.070 0.007 0.000 2.548 247 H HA 0.266 4.745 4.556 -0.128 0.000 0.265 247 H C 1.682 177.028 175.328 0.030 0.000 0.969 247 H CA 1.115 57.179 56.048 0.027 0.000 1.155 247 H CB -0.097 29.689 29.762 0.040 0.000 1.394 247 H HN 0.399 nan 8.280 nan 0.000 0.570 248 G N 0.274 109.048 108.800 -0.042 0.000 2.179 248 G HA2 -0.219 3.665 3.960 -0.127 0.000 0.220 248 G HA3 -0.219 3.665 3.960 -0.127 0.000 0.220 248 G C -0.338 174.498 174.900 -0.106 0.000 0.990 248 G CA 0.128 45.125 45.100 -0.172 0.000 0.646 248 G HN 0.478 nan 8.290 nan 0.000 0.517 249 D N 1.699 122.102 120.400 0.006 0.000 2.619 249 D HA 0.357 4.921 4.640 -0.127 0.000 0.224 249 D C 2.065 178.287 176.300 -0.130 0.000 1.133 249 D CA -0.325 53.627 54.000 -0.079 0.000 1.017 249 D CB 0.180 40.989 40.800 0.015 0.000 1.077 249 D HN 0.363 nan 8.370 nan 0.000 0.503 250 L N -0.155 120.944 121.223 -0.206 0.000 2.017 250 L HA -0.188 4.076 4.340 -0.127 0.000 0.208 250 L C 2.379 179.160 176.870 -0.149 0.000 1.073 250 L CA 0.926 55.661 54.840 -0.175 0.000 0.745 250 L CB -0.422 41.505 42.059 -0.220 0.000 0.894 250 L HN 0.264 nan 8.230 nan 0.000 0.432 251 L N 0.030 121.148 121.223 -0.175 0.000 1.990 251 L HA -0.226 4.038 4.340 -0.127 0.000 0.213 251 L C 2.927 179.748 176.870 -0.083 0.000 1.072 251 L CA 1.625 56.392 54.840 -0.121 0.000 0.755 251 L CB -0.832 41.167 42.059 -0.100 0.000 0.889 251 L HN 0.432 nan 8.230 nan 0.000 0.432 252 E N -0.199 119.946 120.200 -0.092 0.000 2.150 252 E HA -0.246 4.027 4.350 -0.127 0.000 0.193 252 E C 2.367 178.931 176.600 -0.060 0.000 0.985 252 E CA 1.532 57.883 56.400 -0.082 0.000 0.814 252 E CB -1.086 28.562 29.700 -0.086 0.000 0.752 252 E HN 0.585 nan 8.360 nan 0.000 0.466 253 c N 1.771 120.335 118.600 -0.061 0.000 2.432 253 c HA 0.043 4.537 4.570 -0.127 0.000 0.277 253 c C 3.086 177.147 174.090 -0.048 0.000 1.249 253 c CA 1.575 57.877 56.329 -0.045 0.000 1.725 253 c CB -1.064 41.424 42.510 -0.036 0.000 2.028 253 c HN 0.544 nan 8.230 nan 0.000 0.477 254 A N -0.189 122.592 122.820 -0.065 0.000 1.902 254 A HA -0.170 4.074 4.320 -0.127 0.000 0.217 254 A C 2.089 179.657 177.584 -0.027 0.000 1.181 254 A CA 2.172 54.172 52.037 -0.062 0.000 0.623 254 A CB -0.886 18.076 19.000 -0.064 0.000 0.818 254 A HN 0.710 nan 8.150 nan 0.000 0.443 255 D N 0.070 120.458 120.400 -0.021 0.000 2.078 255 D HA -0.149 4.415 4.640 -0.127 0.000 0.193 255 D C 1.336 177.641 176.300 0.009 0.000 0.990 255 D CA 1.453 55.454 54.000 0.001 0.000 0.827 255 D CB -0.295 40.498 40.800 -0.012 0.000 0.975 255 D HN 0.362 nan 8.370 nan 0.000 0.451 256 D N 0.231 120.629 120.400 -0.004 0.000 2.149 256 D HA -0.169 4.395 4.640 -0.127 0.000 0.198 256 D C 2.131 178.445 176.300 0.025 0.000 0.990 256 D CA 0.498 54.503 54.000 0.008 0.000 0.839 256 D CB -0.183 40.614 40.800 -0.004 0.000 0.948 256 D HN 0.241 nan 8.370 nan 0.000 0.460 257 R N 0.739 121.249 120.500 0.017 0.000 2.091 257 R HA -0.119 4.144 4.340 -0.127 0.000 0.238 257 R C 2.129 178.458 176.300 0.049 0.000 1.136 257 R CA 1.370 57.492 56.100 0.036 0.000 0.959 257 R CB -0.148 30.152 30.300 -0.001 0.000 0.856 257 R HN 0.099 nan 8.270 nan 0.000 0.437 258 A N 1.153 123.995 122.820 0.037 0.000 1.898 258 A HA -0.166 4.078 4.320 -0.127 0.000 0.216 258 A C 1.635 179.258 177.584 0.065 0.000 1.181 258 A CA 1.772 53.838 52.037 0.049 0.000 0.620 258 A CB -0.433 18.593 19.000 0.043 0.000 0.819 258 A HN 0.325 nan 8.150 nan 0.000 0.442 259 D N -0.454 119.984 120.400 0.063 0.000 2.178 259 D HA -0.123 4.441 4.640 -0.127 0.000 0.201 259 D C 1.769 178.131 176.300 0.102 0.000 0.980 259 D CA 0.989 55.035 54.000 0.076 0.000 0.842 259 D CB -0.309 40.526 40.800 0.060 0.000 0.948 259 D HN 0.332 nan 8.370 nan 0.000 0.472 260 L N 0.990 122.269 121.223 0.094 0.000 2.027 260 L HA -0.001 4.263 4.340 -0.127 0.000 0.206 260 L C 2.129 179.094 176.870 0.159 0.000 1.074 260 L CA 1.642 56.556 54.840 0.123 0.000 0.745 260 L CB -1.041 41.084 42.059 0.110 0.000 0.898 260 L HN -0.028 nan 8.230 nan 0.000 0.433 261 A N -0.353 122.538 122.820 0.120 0.000 1.933 261 A HA -0.271 3.973 4.320 -0.127 0.000 0.218 261 A C 2.420 180.056 177.584 0.088 0.000 1.175 261 A CA 1.955 54.052 52.037 0.100 0.000 0.628 261 A CB -0.641 18.407 19.000 0.080 0.000 0.814 261 A HN 0.560 nan 8.150 nan 0.000 0.444 262 K N -1.559 118.898 120.400 0.095 0.000 2.009 262 K HA -0.251 3.993 4.320 -0.127 0.000 0.210 262 K C 1.975 178.624 176.600 0.081 0.000 1.049 262 K CA 1.983 58.317 56.287 0.079 0.000 0.929 262 K CB -0.532 32.020 32.500 0.087 0.000 0.714 262 K HN 0.464 nan 8.250 nan 0.000 0.440 263 Y N 1.607 121.915 120.300 0.013 0.000 2.070 263 Y HA -0.226 4.248 4.550 -0.128 0.000 0.280 263 Y C 1.997 177.887 175.900 -0.015 0.000 1.148 263 Y CA 2.152 60.253 58.100 0.002 0.000 1.125 263 Y CB -0.327 38.138 38.460 0.008 0.000 0.975 263 Y HN 0.056 nan 8.280 nan 0.000 0.492 264 I N -0.835 119.795 120.570 0.099 0.000 2.236 264 I HA -0.443 3.651 4.170 -0.127 0.000 0.249 264 I C 2.519 178.552 176.117 -0.140 0.000 1.102 264 I CA 1.479 62.758 61.300 -0.035 0.000 1.365 264 I CB -0.692 37.336 38.000 0.046 0.000 1.051 264 I HN 0.399 nan 8.210 nan 0.000 0.420 265 c N 0.481 119.031 118.600 -0.085 0.000 2.450 265 c HA -0.078 4.415 4.570 -0.127 0.000 0.279 265 c C 2.633 176.652 174.090 -0.119 0.000 1.335 265 c CA 0.590 56.871 56.329 -0.081 0.000 1.749 265 c CB -0.897 41.595 42.510 -0.030 0.000 1.963 265 c HN 0.490 nan 8.230 nan 0.000 0.501 266 E N 1.104 121.207 120.200 -0.162 0.000 2.028 266 E HA -0.135 4.139 4.350 -0.127 0.000 0.191 266 E C 0.643 177.107 176.600 -0.228 0.000 0.988 266 E CA 1.116 57.410 56.400 -0.177 0.000 0.799 266 E CB -0.262 29.324 29.700 -0.190 0.000 0.755 266 E HN 0.672 nan 8.360 nan 0.000 0.447 267 N N 1.332 119.809 118.700 -0.372 0.000 2.623 267 N HA 0.005 4.669 4.740 -0.127 0.000 0.263 267 N C 0.703 176.068 175.510 -0.242 0.000 1.218 267 N CA -0.034 52.817 53.050 -0.331 0.000 0.949 267 N CB 0.329 38.516 38.487 -0.500 0.000 1.270 267 N HN 0.148 nan 8.380 nan 0.000 0.507 268 Q N 0.766 120.454 119.800 -0.186 0.000 2.045 268 Q HA -0.209 4.055 4.340 -0.127 0.000 0.206 268 Q C 0.591 176.512 176.000 -0.133 0.000 0.991 268 Q CA 1.553 57.264 55.803 -0.153 0.000 0.851 268 Q CB 0.091 28.765 28.738 -0.106 0.000 0.911 268 Q HN 0.547 nan 8.270 nan 0.000 0.418 269 D N -0.438 119.901 120.400 -0.101 0.000 2.263 269 D HA -0.100 4.464 4.640 -0.127 0.000 0.208 269 D C 1.689 177.945 176.300 -0.073 0.000 0.971 269 D CA 1.012 54.967 54.000 -0.074 0.000 0.867 269 D CB 0.010 40.777 40.800 -0.055 0.000 0.929 269 D HN 0.159 nan 8.370 nan 0.000 0.492 270 S N -0.006 115.637 115.700 -0.095 0.000 2.470 270 S HA 0.055 4.449 4.470 -0.127 0.000 0.225 270 S C 1.936 176.484 174.600 -0.087 0.000 1.006 270 S CA 0.206 58.361 58.200 -0.075 0.000 0.934 270 S CB 0.434 63.588 63.200 -0.077 0.000 0.778 270 S HN 0.199 nan 8.310 nan 0.000 0.517 271 I N -0.638 119.836 120.570 -0.160 0.000 3.904 271 I HA 0.204 4.298 4.170 -0.127 0.000 0.235 271 I C 0.876 176.843 176.117 -0.250 0.000 1.062 271 I CA 0.244 61.384 61.300 -0.266 0.000 1.574 271 I CB 0.183 37.885 38.000 -0.497 0.000 1.503 271 I HN 0.073 nan 8.210 nan 0.000 0.463 272 S N -0.989 114.541 115.700 -0.284 0.000 2.595 272 S HA 0.356 4.750 4.470 -0.127 0.000 0.281 272 S C 0.428 174.992 174.600 -0.059 0.000 1.117 272 S CA -0.117 58.020 58.200 -0.104 0.000 0.873 272 S CB 1.519 64.703 63.200 -0.026 0.000 1.108 272 S HN 0.279 nan 8.310 nan 0.000 0.477 273 S N 1.553 117.251 115.700 -0.004 0.000 2.556 273 S HA 0.239 4.633 4.470 -0.127 0.000 0.216 273 S C 0.519 175.123 174.600 0.007 0.000 0.970 273 S CA -0.228 57.968 58.200 -0.006 0.000 0.912 273 S CB -0.150 63.050 63.200 -0.000 0.000 0.790 273 S HN 0.639 nan 8.310 nan 0.000 0.504 274 K N 1.040 121.457 120.400 0.029 0.000 2.437 274 K HA 0.374 4.618 4.320 -0.127 0.000 0.205 274 K C 0.740 177.363 176.600 0.039 0.000 1.026 274 K CA -0.095 56.215 56.287 0.038 0.000 1.153 274 K CB 0.093 32.627 32.500 0.058 0.000 0.863 274 K HN 0.387 nan 8.250 nan 0.000 0.502 275 L N 0.998 122.228 121.223 0.012 0.000 2.354 275 L HA -0.075 4.189 4.340 -0.127 0.000 0.212 275 L C 2.770 179.640 176.870 0.000 0.000 1.091 275 L CA 0.712 55.553 54.840 0.002 0.000 0.828 275 L CB -0.607 41.422 42.059 -0.051 0.000 0.973 275 L HN 0.160 nan 8.230 nan 0.000 0.461 276 K N 1.006 121.403 120.400 -0.006 0.000 2.023 276 K HA -0.361 3.883 4.320 -0.127 0.000 0.227 276 K C 2.077 178.682 176.600 0.008 0.000 1.054 276 K CA 2.797 59.082 56.287 -0.003 0.000 0.977 276 K CB -1.847 30.652 32.500 -0.002 0.000 0.733 276 K HN 0.479 nan 8.250 nan 0.000 0.451 277 E N -0.299 119.911 120.200 0.016 0.000 2.219 277 E HA -0.159 4.115 4.350 -0.127 0.000 0.198 277 E C 2.259 178.878 176.600 0.031 0.000 0.998 277 E CA 1.725 58.139 56.400 0.024 0.000 0.818 277 E CB -1.393 28.324 29.700 0.028 0.000 0.741 277 E HN 0.780 nan 8.360 nan 0.000 0.477 278 c N -0.942 117.677 118.600 0.031 0.000 2.485 278 c HA 0.058 4.552 4.570 -0.127 0.000 0.277 278 c C 2.661 176.771 174.090 0.033 0.000 1.376 278 c CA 0.344 56.696 56.329 0.038 0.000 1.759 278 c CB -0.838 41.696 42.510 0.040 0.000 1.970 278 c HN 0.804 nan 8.230 nan 0.000 0.509 279 c N 1.092 119.704 118.600 0.020 0.000 2.576 279 c HA 0.034 4.528 4.570 -0.127 0.000 0.267 279 c C 1.830 175.931 174.090 0.018 0.000 1.364 279 c CA 0.585 56.922 56.329 0.014 0.000 1.723 279 c CB -1.332 41.175 42.510 -0.004 0.000 1.778 279 c HN 0.568 nan 8.230 nan 0.000 0.572 280 E N 1.400 121.614 120.200 0.023 0.000 2.451 280 E HA 0.098 4.372 4.350 -0.127 0.000 0.194 280 E C 0.262 176.881 176.600 0.032 0.000 1.027 280 E CA 0.264 56.678 56.400 0.024 0.000 0.914 280 E CB 0.122 29.834 29.700 0.020 0.000 1.054 280 E HN 0.771 nan 8.360 nan 0.000 0.461 281 K N -0.386 120.038 120.400 0.041 0.000 2.439 281 K HA 0.595 4.839 4.320 -0.127 0.000 0.260 281 K C -2.934 173.701 176.600 0.058 0.000 1.032 281 K CA -2.341 53.977 56.287 0.051 0.000 0.882 281 K CB 0.205 32.744 32.500 0.064 0.000 1.420 281 K HN -0.326 nan 8.250 nan 0.000 0.455 282 P HA -0.121 nan 4.420 nan 0.000 0.263 282 P C 0.704 178.054 177.300 0.084 0.000 1.175 282 P CA -0.214 62.928 63.100 0.070 0.000 0.761 282 P CB 0.281 32.026 31.700 0.074 0.000 0.794 283 L N 5.383 126.651 121.223 0.074 0.000 1.987 283 L HA -0.278 3.986 4.340 -0.127 0.000 0.230 283 L C 1.821 178.749 176.870 0.096 0.000 1.089 283 L CA 2.154 57.038 54.840 0.074 0.000 0.802 283 L CB -1.542 40.556 42.059 0.065 0.000 0.905 283 L HN 0.338 nan 8.230 nan 0.000 0.441 284 L N -0.895 120.402 121.223 0.123 0.000 2.089 284 L HA -0.267 3.997 4.340 -0.127 0.000 0.213 284 L C 2.619 179.635 176.870 0.243 0.000 1.079 284 L CA 2.203 57.155 54.840 0.187 0.000 0.758 284 L CB -0.912 41.284 42.059 0.229 0.000 0.891 284 L HN 0.497 nan 8.230 nan 0.000 0.433 285 E N -0.533 119.816 120.200 0.248 0.000 2.230 285 E HA -0.152 4.122 4.350 -0.127 0.000 0.192 285 E C 2.064 178.725 176.600 0.101 0.000 0.987 285 E CA 0.500 57.048 56.400 0.247 0.000 0.841 285 E CB 0.086 29.943 29.700 0.261 0.000 0.783 285 E HN 0.289 nan 8.360 nan 0.000 0.481 286 K N 0.008 120.460 120.400 0.087 0.000 2.062 286 K HA -0.024 4.220 4.320 -0.127 0.000 0.205 286 K C 2.104 178.731 176.600 0.046 0.000 1.051 286 K CA 1.328 57.652 56.287 0.062 0.000 0.941 286 K CB -0.041 32.494 32.500 0.059 0.000 0.719 286 K HN -0.065 nan 8.250 nan 0.000 0.440 287 S N -0.383 115.344 115.700 0.044 0.000 2.345 287 S HA -0.178 4.216 4.470 -0.127 0.000 0.220 287 S C 1.760 176.363 174.600 0.004 0.000 1.031 287 S CA 1.525 59.749 58.200 0.040 0.000 0.996 287 S CB -0.449 62.776 63.200 0.042 0.000 0.882 287 S HN 0.567 nan 8.310 nan 0.000 0.445 288 H N -0.562 118.376 119.070 -0.219 0.000 2.489 288 H HA -0.055 4.423 4.556 -0.131 0.000 0.293 288 H C 2.298 177.490 175.328 -0.226 0.000 1.066 288 H CA 1.606 57.428 56.048 -0.378 0.000 1.305 288 H CB -0.389 28.687 29.762 -1.144 0.000 1.386 288 H HN 0.432 nan 8.280 nan 0.000 0.551 289 c N -0.438 118.128 118.600 -0.057 0.000 2.500 289 c HA 0.002 4.496 4.570 -0.127 0.000 0.279 289 c C 2.653 176.734 174.090 -0.015 0.000 1.288 289 c CA 0.735 57.055 56.329 -0.016 0.000 1.710 289 c CB -1.152 41.384 42.510 0.043 0.000 2.052 289 c HN 0.693 nan 8.230 nan 0.000 0.488 290 I N 1.809 122.393 120.570 0.023 0.000 2.163 290 I HA -0.174 3.920 4.170 -0.127 0.000 0.243 290 I C 2.775 178.944 176.117 0.088 0.000 1.085 290 I CA 1.772 63.121 61.300 0.081 0.000 1.347 290 I CB -0.593 37.470 38.000 0.104 0.000 1.044 290 I HN 0.383 nan 8.210 nan 0.000 0.408 291 A N -0.250 122.594 122.820 0.040 0.000 2.125 291 A HA -0.123 4.121 4.320 -0.127 0.000 0.219 291 A C 1.751 179.317 177.584 -0.029 0.000 1.156 291 A CA 1.369 53.432 52.037 0.043 0.000 0.671 291 A CB -0.276 18.763 19.000 0.064 0.000 0.794 291 A HN 0.449 nan 8.150 nan 0.000 0.459 292 E N -0.614 119.533 120.200 -0.089 0.000 2.734 292 E HA 0.177 4.451 4.350 -0.127 0.000 0.211 292 E C -0.573 176.003 176.600 -0.041 0.000 0.991 292 E CA -0.191 56.151 56.400 -0.096 0.000 1.065 292 E CB 0.601 30.181 29.700 -0.199 0.000 1.047 292 E HN 0.236 nan 8.360 nan 0.000 0.470 293 V N 1.854 121.768 119.914 0.001 0.000 2.686 293 V HA 0.239 4.282 4.120 -0.127 0.000 0.295 293 V C 0.307 176.403 176.094 0.003 0.000 1.055 293 V CA 0.320 62.641 62.300 0.035 0.000 1.050 293 V CB 0.860 32.753 31.823 0.118 0.000 0.984 293 V HN 0.392 nan 8.190 nan 0.000 0.482 294 E N 5.320 125.523 120.200 0.005 0.000 2.408 294 E HA 0.228 4.502 4.350 -0.127 0.000 0.259 294 E C 0.146 176.733 176.600 -0.021 0.000 1.110 294 E CA -0.424 55.963 56.400 -0.022 0.000 0.929 294 E CB 0.083 29.776 29.700 -0.011 0.000 0.971 294 E HN 0.888 nan 8.360 nan 0.000 0.438 295 N N 1.916 120.578 118.700 -0.064 0.000 2.453 295 N HA 0.091 4.755 4.740 -0.127 0.000 0.253 295 N C -0.409 175.098 175.510 -0.005 0.000 1.252 295 N CA -0.300 52.708 53.050 -0.070 0.000 0.917 295 N CB 0.588 39.005 38.487 -0.116 0.000 1.117 295 N HN 0.701 nan 8.380 nan 0.000 0.442 296 D N 0.227 120.652 120.400 0.042 0.000 2.377 296 D HA 0.222 4.786 4.640 -0.127 0.000 0.245 296 D C 0.109 176.411 176.300 0.002 0.000 1.196 296 D CA -0.089 53.942 54.000 0.051 0.000 0.962 296 D CB 0.511 41.374 40.800 0.105 0.000 1.127 296 D HN 0.553 nan 8.370 nan 0.000 0.471 297 E N 0.963 121.161 120.200 -0.004 0.000 2.404 297 E HA 0.155 4.429 4.350 -0.127 0.000 0.261 297 E C 0.163 176.741 176.600 -0.037 0.000 1.074 297 E CA -0.145 56.239 56.400 -0.026 0.000 0.917 297 E CB 0.161 29.848 29.700 -0.021 0.000 0.965 297 E HN 0.560 nan 8.360 nan 0.000 0.433 298 M N 2.200 121.763 119.600 -0.062 0.000 2.162 298 M HA 0.276 4.680 4.480 -0.127 0.000 0.356 298 M C -2.143 174.117 176.300 -0.066 0.000 1.303 298 M CA -1.533 53.717 55.300 -0.083 0.000 1.116 298 M CB 0.989 33.514 32.600 -0.124 0.000 1.632 298 M HN 0.341 nan 8.290 nan 0.000 0.469 299 P HA -0.006 nan 4.420 nan 0.000 0.261 299 P C -0.292 176.977 177.300 -0.051 0.000 1.173 299 P CA 0.031 63.106 63.100 -0.041 0.000 0.760 299 P CB 0.494 32.175 31.700 -0.031 0.000 0.783 300 A N 3.578 126.375 122.820 -0.038 0.000 2.240 300 A HA -0.078 4.166 4.320 -0.127 0.000 0.199 300 A C 1.245 178.803 177.584 -0.043 0.000 1.172 300 A CA 1.962 53.976 52.037 -0.038 0.000 0.807 300 A CB -1.883 17.101 19.000 -0.026 0.000 0.830 300 A HN 0.618 nan 8.150 nan 0.000 0.527 301 D N -0.302 120.079 120.400 -0.031 0.000 2.359 301 D HA 0.537 5.101 4.640 -0.127 0.000 0.250 301 D C -0.494 175.787 176.300 -0.032 0.000 1.264 301 D CA -0.010 53.972 54.000 -0.030 0.000 0.911 301 D CB -0.230 40.559 40.800 -0.018 0.000 1.056 301 D HN 0.396 nan 8.370 nan 0.000 0.499 302 L N 2.780 123.975 121.223 -0.047 0.000 2.341 302 L HA 0.539 4.803 4.340 -0.127 0.000 0.278 302 L C -1.557 175.287 176.870 -0.043 0.000 1.005 302 L CA -1.544 53.266 54.840 -0.052 0.000 0.818 302 L CB 2.360 44.365 42.059 -0.090 0.000 1.259 302 L HN 0.506 nan 8.230 nan 0.000 0.418 303 P HA 0.089 nan 4.420 nan 0.000 0.273 303 P C -0.562 176.733 177.300 -0.009 0.000 1.250 303 P CA -0.394 62.702 63.100 -0.006 0.000 0.793 303 P CB 0.908 32.616 31.700 0.013 0.000 1.011 304 S N -0.559 115.147 115.700 0.010 0.000 2.584 304 S HA 0.162 4.556 4.470 -0.127 0.000 0.273 304 S C 1.485 176.132 174.600 0.080 0.000 1.311 304 S CA -0.673 57.541 58.200 0.024 0.000 1.034 304 S CB -0.038 63.179 63.200 0.028 0.000 0.939 304 S HN 0.375 nan 8.310 nan 0.000 0.513 305 L N 4.277 125.568 121.223 0.113 0.000 2.046 305 L HA -0.084 4.180 4.340 -0.127 0.000 0.208 305 L C 2.832 179.909 176.870 0.347 0.000 1.077 305 L CA 1.726 56.726 54.840 0.267 0.000 0.747 305 L CB -0.770 41.425 42.059 0.227 0.000 0.896 305 L HN 0.891 nan 8.230 nan 0.000 0.432 306 A N -0.026 122.879 122.820 0.142 0.000 1.958 306 A HA -0.309 3.935 4.320 -0.127 0.000 0.221 306 A C 2.504 180.118 177.584 0.051 0.000 1.178 306 A CA 2.004 54.005 52.037 -0.059 0.000 0.642 306 A CB -0.886 17.997 19.000 -0.195 0.000 0.816 306 A HN 0.454 nan 8.150 nan 0.000 0.453 307 A N 0.477 123.339 122.820 0.071 0.000 1.859 307 A HA -0.267 3.977 4.320 -0.127 0.000 0.218 307 A C 1.599 179.202 177.584 0.031 0.000 1.242 307 A CA 1.988 54.054 52.037 0.049 0.000 0.661 307 A CB -0.737 18.288 19.000 0.040 0.000 0.842 307 A HN 0.560 nan 8.150 nan 0.000 0.455 308 D N -2.091 118.292 120.400 -0.029 0.000 2.339 308 D HA 0.162 4.725 4.640 -0.127 0.000 0.217 308 D C 0.594 176.664 176.300 -0.383 0.000 1.050 308 D CA 0.407 54.271 54.000 -0.227 0.000 0.856 308 D CB 0.017 40.579 40.800 -0.398 0.000 0.922 308 D HN 0.497 nan 8.370 nan 0.000 0.518 309 F N 0.010 120.061 119.950 0.167 0.000 2.746 309 F HA 0.042 4.494 4.527 -0.125 0.000 0.313 309 F C 1.870 177.772 175.800 0.171 0.000 1.095 309 F CA -0.128 58.006 58.000 0.222 0.000 1.224 309 F CB 0.659 39.790 39.000 0.217 0.000 1.060 309 F HN -0.119 nan 8.300 nan 0.000 0.584 310 V N -4.847 115.193 119.914 0.209 0.000 3.245 310 V HA 0.275 4.319 4.120 -0.127 0.000 0.246 310 V C 1.289 177.510 176.094 0.211 0.000 1.487 310 V CA 0.207 62.586 62.300 0.132 0.000 1.154 310 V CB 0.268 32.073 31.823 -0.029 0.000 0.971 310 V HN 0.051 nan 8.190 nan 0.000 0.443 311 E N 1.675 121.971 120.200 0.160 0.000 2.216 311 E HA 0.182 4.456 4.350 -0.127 0.000 0.192 311 E C 1.278 178.038 176.600 0.268 0.000 0.973 311 E CA 0.693 57.230 56.400 0.229 0.000 0.851 311 E CB 0.356 30.129 29.700 0.120 0.000 0.804 311 E HN 0.592 nan 8.360 nan 0.000 0.477 312 S N 0.027 115.834 115.700 0.178 0.000 2.563 312 S HA 0.081 4.475 4.470 -0.127 0.000 0.284 312 S C 0.998 175.742 174.600 0.241 0.000 1.331 312 S CA 0.678 58.964 58.200 0.143 0.000 1.047 312 S CB 1.146 64.386 63.200 0.068 0.000 0.859 312 S HN 0.230 nan 8.310 nan 0.000 0.514 313 K N 1.986 122.491 120.400 0.176 0.000 2.379 313 K HA 0.139 4.383 4.320 -0.127 0.000 0.194 313 K C 1.038 177.727 176.600 0.149 0.000 1.031 313 K CA 0.890 57.298 56.287 0.202 0.000 1.037 313 K CB -0.350 32.200 32.500 0.083 0.000 0.824 313 K HN 0.781 nan 8.250 nan 0.000 0.516 314 D N 0.277 120.728 120.400 0.085 0.000 2.340 314 D HA 0.050 4.614 4.640 -0.127 0.000 0.220 314 D C 1.638 177.919 176.300 -0.032 0.000 1.039 314 D CA 0.241 54.256 54.000 0.025 0.000 0.866 314 D CB 0.342 41.143 40.800 0.002 0.000 0.913 314 D HN 0.130 nan 8.370 nan 0.000 0.523 315 V N 0.715 120.627 119.914 -0.004 0.000 2.220 315 V HA -0.400 3.644 4.120 -0.127 0.000 0.250 315 V C 2.663 178.615 176.094 -0.237 0.000 1.053 315 V CA 1.797 64.021 62.300 -0.126 0.000 1.019 315 V CB -0.906 30.787 31.823 -0.217 0.000 0.646 315 V HN 0.333 nan 8.190 nan 0.000 0.455 316 c N -0.141 118.411 118.600 -0.080 0.000 2.396 316 c HA -0.242 4.252 4.570 -0.127 0.000 0.277 316 c C 3.161 177.236 174.090 -0.025 0.000 1.231 316 c CA 1.836 58.163 56.329 -0.004 0.000 1.775 316 c CB -1.425 41.148 42.510 0.105 0.000 2.036 316 c HN 0.750 nan 8.230 nan 0.000 0.484 317 K N 0.455 120.822 120.400 -0.055 0.000 2.026 317 K HA -0.153 4.091 4.320 -0.127 0.000 0.208 317 K C 1.661 178.180 176.600 -0.135 0.000 1.048 317 K CA 1.884 58.131 56.287 -0.066 0.000 0.929 317 K CB -1.002 31.472 32.500 -0.043 0.000 0.713 317 K HN 0.656 nan 8.250 nan 0.000 0.439 318 N N -0.733 117.820 118.700 -0.244 0.000 2.166 318 N HA -0.135 4.529 4.740 -0.127 0.000 0.186 318 N C 1.758 177.013 175.510 -0.425 0.000 1.019 318 N CA 1.621 54.463 53.050 -0.347 0.000 0.856 318 N CB -0.322 37.857 38.487 -0.513 0.000 0.993 318 N HN 0.585 nan 8.380 nan 0.000 0.426 319 Y N 1.836 121.712 120.300 -0.707 0.000 2.224 319 Y HA -0.111 4.362 4.550 -0.128 0.000 0.289 319 Y C 2.298 178.104 175.900 -0.156 0.000 1.146 319 Y CA 1.231 59.074 58.100 -0.429 0.000 1.182 319 Y CB -0.530 37.744 38.460 -0.311 0.000 0.983 319 Y HN 0.054 nan 8.280 nan 0.000 0.524 320 A N 0.228 122.924 122.820 -0.207 0.000 1.897 320 A HA -0.075 4.169 4.320 -0.127 0.000 0.215 320 A C 2.214 179.702 177.584 -0.160 0.000 1.181 320 A CA 2.082 53.987 52.037 -0.218 0.000 0.620 320 A CB -1.378 17.558 19.000 -0.107 0.000 0.821 320 A HN 0.552 nan 8.150 nan 0.000 0.443 321 E N -0.196 119.937 120.200 -0.112 0.000 2.005 321 E HA 0.211 4.485 4.350 -0.127 0.000 0.198 321 E C 1.224 177.802 176.600 -0.036 0.000 1.010 321 E CA 1.562 57.927 56.400 -0.058 0.000 0.825 321 E CB -0.774 28.904 29.700 -0.036 0.000 0.769 321 E HN 1.491 nan 8.360 nan 0.000 0.456 322 A N 0.244 123.063 122.820 -0.002 0.000 2.893 322 A HA 0.519 4.763 4.320 -0.127 0.000 0.333 322 A C 1.037 178.691 177.584 0.118 0.000 1.152 322 A CA 0.485 52.557 52.037 0.057 0.000 0.782 322 A CB 0.567 19.634 19.000 0.111 0.000 1.108 322 A HN 0.398 nan 8.150 nan 0.000 0.469 323 K N 0.875 121.278 120.400 0.005 0.000 2.044 323 K HA -0.225 4.019 4.320 -0.127 0.000 0.210 323 K C 0.791 177.559 176.600 0.279 0.000 1.049 323 K CA 2.448 58.774 56.287 0.066 0.000 0.927 323 K CB -0.086 32.229 32.500 -0.309 0.000 0.713 323 K HN 0.379 nan 8.250 nan 0.000 0.443 324 D N 0.244 120.756 120.400 0.187 0.000 2.123 324 D HA -0.123 4.441 4.640 -0.127 0.000 0.196 324 D C 2.012 178.476 176.300 0.272 0.000 0.992 324 D CA 1.546 55.674 54.000 0.214 0.000 0.833 324 D CB -0.156 40.736 40.800 0.154 0.000 0.954 324 D HN 0.156 nan 8.370 nan 0.000 0.455 325 V N 0.637 120.718 119.914 0.279 0.000 2.358 325 V HA -0.203 3.841 4.120 -0.127 0.000 0.246 325 V C 2.153 178.447 176.094 0.334 0.000 1.047 325 V CA 1.127 63.629 62.300 0.336 0.000 1.035 325 V CB -0.571 31.433 31.823 0.302 0.000 0.658 325 V HN 0.079 nan 8.190 nan 0.000 0.452 326 F N 0.603 120.682 119.950 0.215 0.000 2.051 326 F HA -0.171 4.280 4.527 -0.126 0.000 0.296 326 F C 2.111 178.111 175.800 0.333 0.000 1.122 326 F CA 1.678 59.836 58.000 0.263 0.000 1.201 326 F CB -0.405 38.784 39.000 0.315 0.000 0.978 326 F HN -0.008 nan 8.300 nan 0.000 0.472 327 L N -0.381 121.076 121.223 0.390 0.000 2.083 327 L HA -0.167 4.097 4.340 -0.127 0.000 0.209 327 L C 2.741 179.737 176.870 0.210 0.000 1.083 327 L CA 1.275 56.287 54.840 0.285 0.000 0.752 327 L CB -1.542 40.719 42.059 0.336 0.000 0.899 327 L HN 0.356 nan 8.230 nan 0.000 0.433 328 G N -0.483 108.457 108.800 0.233 0.000 2.440 328 G HA2 -0.307 3.577 3.960 -0.127 0.000 0.218 328 G HA3 -0.307 3.577 3.960 -0.127 0.000 0.218 328 G C 1.637 176.604 174.900 0.113 0.000 1.154 328 G CA 0.699 45.965 45.100 0.276 0.000 0.767 328 G HN 0.196 nan 8.290 nan 0.000 0.552 329 M N -0.730 118.725 119.600 -0.241 0.000 2.159 329 M HA 0.078 4.482 4.480 -0.127 0.000 0.263 329 M C 2.174 178.378 176.300 -0.160 0.000 1.063 329 M CA 1.047 56.015 55.300 -0.553 0.000 1.110 329 M CB -0.174 32.129 32.600 -0.495 0.000 1.374 329 M HN 0.316 nan 8.290 nan 0.000 0.411 330 F N 0.510 120.218 119.950 -0.404 0.000 2.075 330 F HA -0.254 4.197 4.527 -0.127 0.000 0.297 330 F C 1.833 177.341 175.800 -0.487 0.000 1.113 330 F CA 1.473 58.950 58.000 -0.871 0.000 1.218 330 F CB -0.570 37.878 39.000 -0.920 0.000 0.984 330 F HN 0.037 nan 8.300 nan 0.000 0.472 331 L N 0.202 121.262 121.223 -0.272 0.000 2.012 331 L HA -0.236 4.028 4.340 -0.127 0.000 0.210 331 L C 2.329 179.070 176.870 -0.216 0.000 1.073 331 L CA 2.305 56.980 54.840 -0.275 0.000 0.748 331 L CB -1.732 40.303 42.059 -0.040 0.000 0.891 331 L HN 0.479 nan 8.230 nan 0.000 0.431 332 Y N 0.180 120.387 120.300 -0.156 0.000 2.181 332 Y HA -0.201 4.272 4.550 -0.128 0.000 0.288 332 Y C 2.304 178.116 175.900 -0.147 0.000 1.146 332 Y CA 2.053 60.115 58.100 -0.063 0.000 1.164 332 Y CB -0.226 38.332 38.460 0.162 0.000 0.982 332 Y HN 0.288 nan 8.280 nan 0.000 0.515 333 E N -0.921 118.999 120.200 -0.465 0.000 2.208 333 E HA -0.192 4.082 4.350 -0.127 0.000 0.193 333 E C 1.777 178.062 176.600 -0.526 0.000 0.988 333 E CA 1.038 57.108 56.400 -0.550 0.000 0.828 333 E CB -0.488 29.038 29.700 -0.291 0.000 0.763 333 E HN 0.619 nan 8.360 nan 0.000 0.478 334 Y N 0.655 120.528 120.300 -0.711 0.000 2.365 334 Y HA 0.073 4.547 4.550 -0.126 0.000 0.293 334 Y C 2.167 177.807 175.900 -0.433 0.000 1.119 334 Y CA 0.781 58.499 58.100 -0.637 0.000 1.203 334 Y CB -0.047 37.815 38.460 -0.997 0.000 1.026 334 Y HN -0.012 nan 8.280 nan 0.000 0.549 335 A N 0.949 123.635 122.820 -0.223 0.000 1.898 335 A HA -0.119 4.125 4.320 -0.127 0.000 0.214 335 A C 2.307 179.744 177.584 -0.244 0.000 1.183 335 A CA 1.359 53.275 52.037 -0.201 0.000 0.622 335 A CB -0.614 18.255 19.000 -0.219 0.000 0.824 335 A HN 0.522 nan 8.150 nan 0.000 0.444 336 R N 0.553 120.849 120.500 -0.340 0.000 2.127 336 R HA -0.167 4.097 4.340 -0.127 0.000 0.238 336 R C 1.612 177.729 176.300 -0.305 0.000 1.134 336 R CA 1.712 57.613 56.100 -0.332 0.000 0.975 336 R CB -0.474 29.545 30.300 -0.469 0.000 0.865 336 R HN 0.605 nan 8.270 nan 0.000 0.447 337 R N -0.400 119.887 120.500 -0.355 0.000 2.334 337 R HA 0.178 4.442 4.340 -0.127 0.000 0.216 337 R C -0.118 175.791 176.300 -0.652 0.000 0.905 337 R CA 0.021 55.855 56.100 -0.444 0.000 1.064 337 R CB 0.190 30.205 30.300 -0.475 0.000 1.046 337 R HN 0.285 nan 8.270 nan 0.000 0.508 338 H N 1.520 120.363 119.070 -0.380 0.000 2.380 338 H HA 0.205 4.685 4.556 -0.128 0.000 0.231 338 H C -2.029 173.097 175.328 -0.336 0.000 1.415 338 H CA -1.705 54.051 56.048 -0.486 0.000 1.433 338 H CB 1.807 31.085 29.762 -0.807 0.000 1.544 338 H HN 0.062 nan 8.280 nan 0.000 0.503 339 P HA -0.050 nan 4.420 nan 0.000 0.241 339 P C 0.797 178.050 177.300 -0.078 0.000 1.191 339 P CA 0.587 63.605 63.100 -0.136 0.000 0.771 339 P CB 0.364 31.975 31.700 -0.148 0.000 0.929 340 D N -2.344 118.028 120.400 -0.047 0.000 2.340 340 D HA -0.078 4.486 4.640 -0.127 0.000 0.220 340 D C 0.149 176.590 176.300 0.234 0.000 1.039 340 D CA 0.099 54.130 54.000 0.053 0.000 0.866 340 D CB -0.599 40.240 40.800 0.064 0.000 0.913 340 D HN 0.092 nan 8.370 nan 0.000 0.523 341 Y N 1.678 121.952 120.300 -0.043 0.000 2.387 341 Y HA 0.354 4.827 4.550 -0.128 0.000 0.330 341 Y C 1.042 176.872 175.900 -0.117 0.000 1.133 341 Y CA -2.480 55.564 58.100 -0.093 0.000 1.152 341 Y CB 1.469 39.847 38.460 -0.137 0.000 1.215 341 Y HN -0.129 nan 8.280 nan 0.000 0.466 342 S N 0.348 116.051 115.700 0.005 0.000 2.585 342 S HA 0.202 4.596 4.470 -0.127 0.000 0.273 342 S C 0.973 175.527 174.600 -0.076 0.000 1.339 342 S CA -0.687 57.486 58.200 -0.044 0.000 1.028 342 S CB 1.032 64.198 63.200 -0.058 0.000 0.906 342 S HN 0.420 nan 8.310 nan 0.000 0.528 343 V N 2.252 122.108 119.914 -0.096 0.000 2.407 343 V HA -0.184 3.860 4.120 -0.127 0.000 0.248 343 V C 2.580 178.602 176.094 -0.119 0.000 1.055 343 V CA 1.997 64.202 62.300 -0.159 0.000 1.049 343 V CB -1.174 30.507 31.823 -0.237 0.000 0.662 343 V HN 0.906 nan 8.190 nan 0.000 0.455 344 V N -1.414 118.460 119.914 -0.067 0.000 2.515 344 V HA -0.185 3.859 4.120 -0.127 0.000 0.250 344 V C 2.342 178.354 176.094 -0.136 0.000 1.058 344 V CA 1.957 64.212 62.300 -0.075 0.000 1.064 344 V CB -0.896 30.894 31.823 -0.056 0.000 0.675 344 V HN 0.461 nan 8.190 nan 0.000 0.461 345 L N 0.118 121.240 121.223 -0.170 0.000 2.027 345 L HA -0.016 4.247 4.340 -0.127 0.000 0.206 345 L C 2.333 179.017 176.870 -0.309 0.000 1.074 345 L CA 1.859 56.545 54.840 -0.257 0.000 0.745 345 L CB -0.638 41.216 42.059 -0.341 0.000 0.898 345 L HN 0.261 nan 8.230 nan 0.000 0.433 346 L N -1.067 119.999 121.223 -0.261 0.000 2.079 346 L HA -0.251 4.012 4.340 -0.127 0.000 0.210 346 L C 2.483 179.171 176.870 -0.303 0.000 1.081 346 L CA 1.299 55.948 54.840 -0.319 0.000 0.752 346 L CB -0.515 41.401 42.059 -0.238 0.000 0.896 346 L HN 0.330 nan 8.230 nan 0.000 0.433 347 L N -1.124 119.975 121.223 -0.208 0.000 2.156 347 L HA -0.146 4.118 4.340 -0.127 0.000 0.208 347 L C 2.743 179.529 176.870 -0.141 0.000 1.095 347 L CA 0.867 55.621 54.840 -0.144 0.000 0.770 347 L CB -0.379 41.622 42.059 -0.097 0.000 0.914 347 L HN 0.191 nan 8.230 nan 0.000 0.439 348 R N 0.043 120.435 120.500 -0.180 0.000 2.075 348 R HA -0.100 4.164 4.340 -0.127 0.000 0.232 348 R C 2.308 178.493 176.300 -0.193 0.000 1.126 348 R CA 1.157 57.160 56.100 -0.162 0.000 0.963 348 R CB -0.212 29.983 30.300 -0.176 0.000 0.858 348 R HN 0.295 nan 8.270 nan 0.000 0.435 349 L N -0.147 120.860 121.223 -0.361 0.000 2.017 349 L HA -0.165 4.098 4.340 -0.127 0.000 0.208 349 L C 2.666 179.399 176.870 -0.229 0.000 1.073 349 L CA 1.364 55.854 54.840 -0.584 0.000 0.745 349 L CB -0.702 40.653 42.059 -1.172 0.000 0.894 349 L HN 0.263 nan 8.230 nan 0.000 0.432 350 A N 0.223 122.981 122.820 -0.103 0.000 1.908 350 A HA -0.263 3.981 4.320 -0.127 0.000 0.218 350 A C 2.316 179.962 177.584 0.103 0.000 1.181 350 A CA 2.098 54.221 52.037 0.142 0.000 0.627 350 A CB -0.405 18.658 19.000 0.106 0.000 0.818 350 A HN 0.232 nan 8.150 nan 0.000 0.445 351 K N -0.582 119.839 120.400 0.035 0.000 2.097 351 K HA -0.040 4.204 4.320 -0.127 0.000 0.205 351 K C 1.948 178.579 176.600 0.052 0.000 1.050 351 K CA 2.014 58.324 56.287 0.039 0.000 0.938 351 K CB -0.836 31.667 32.500 0.006 0.000 0.718 351 K HN 0.371 nan 8.250 nan 0.000 0.442 352 T N -0.072 114.526 114.554 0.074 0.000 2.746 352 T HA -0.136 4.138 4.350 -0.127 0.000 0.267 352 T C 1.298 176.095 174.700 0.162 0.000 1.039 352 T CA 1.431 63.610 62.100 0.131 0.000 1.142 352 T CB -0.466 68.539 68.868 0.228 0.000 0.866 352 T HN 0.300 nan 8.240 nan 0.000 0.444 353 Y N 1.939 122.265 120.300 0.043 0.000 2.163 353 Y HA -0.108 4.365 4.550 -0.127 0.000 0.288 353 Y C 2.533 178.317 175.900 -0.194 0.000 1.136 353 Y CA 1.893 59.924 58.100 -0.115 0.000 1.147 353 Y CB -0.360 37.831 38.460 -0.449 0.000 0.987 353 Y HN 0.308 nan 8.280 nan 0.000 0.509 354 E N -0.859 119.271 120.200 -0.116 0.000 2.058 354 E HA -0.220 4.054 4.350 -0.127 0.000 0.194 354 E C 1.933 178.436 176.600 -0.162 0.000 0.997 354 E CA 2.167 58.464 56.400 -0.173 0.000 0.801 354 E CB -0.353 29.372 29.700 0.041 0.000 0.746 354 E HN 0.459 nan 8.360 nan 0.000 0.450 355 T N 0.202 114.717 114.554 -0.066 0.000 2.759 355 T HA -0.153 4.120 4.350 -0.127 0.000 0.269 355 T C 1.844 176.496 174.700 -0.081 0.000 1.042 355 T CA 1.811 63.887 62.100 -0.039 0.000 1.140 355 T CB -0.475 68.390 68.868 -0.006 0.000 0.864 355 T HN 0.285 nan 8.240 nan 0.000 0.455 356 T N 2.291 116.765 114.554 -0.133 0.000 2.701 356 T HA 0.095 4.369 4.350 -0.127 0.000 0.263 356 T C 1.993 176.569 174.700 -0.206 0.000 1.040 356 T CA 0.722 62.737 62.100 -0.142 0.000 1.147 356 T CB -0.438 68.343 68.868 -0.145 0.000 0.865 356 T HN 0.234 nan 8.240 nan 0.000 0.426 357 L N 0.965 121.932 121.223 -0.426 0.000 2.129 357 L HA -0.136 4.128 4.340 -0.127 0.000 0.212 357 L C 2.882 179.609 176.870 -0.238 0.000 1.087 357 L CA 1.255 55.786 54.840 -0.515 0.000 0.757 357 L CB -0.560 40.838 42.059 -1.102 0.000 0.896 357 L HN 0.269 nan 8.230 nan 0.000 0.434 358 E N 0.273 120.396 120.200 -0.128 0.000 2.017 358 E HA -0.215 4.059 4.350 -0.127 0.000 0.193 358 E C 2.307 178.927 176.600 0.033 0.000 0.997 358 E CA 1.868 58.301 56.400 0.055 0.000 0.804 358 E CB -0.155 29.585 29.700 0.067 0.000 0.757 358 E HN 0.411 nan 8.360 nan 0.000 0.448 359 K N 0.185 120.585 120.400 -0.000 0.000 2.103 359 K HA -0.023 4.221 4.320 -0.127 0.000 0.204 359 K C 2.353 178.959 176.600 0.009 0.000 1.052 359 K CA 1.235 57.525 56.287 0.005 0.000 0.945 359 K CB -1.272 31.226 32.500 -0.004 0.000 0.722 359 K HN 0.262 nan 8.250 nan 0.000 0.443 360 c N 0.437 119.040 118.600 0.005 0.000 2.446 360 c HA 0.064 4.558 4.570 -0.127 0.000 0.277 360 c C 3.046 177.173 174.090 0.061 0.000 1.275 360 c CA 0.687 57.036 56.329 0.033 0.000 1.727 360 c CB -1.370 41.190 42.510 0.084 0.000 2.010 360 c HN 0.787 nan 8.230 nan 0.000 0.486 361 c N 0.804 119.448 118.600 0.073 0.000 2.410 361 c HA -0.036 4.458 4.570 -0.127 0.000 0.281 361 c C 2.497 176.628 174.090 0.068 0.000 1.318 361 c CA 1.251 57.637 56.329 0.095 0.000 1.776 361 c CB -1.520 41.064 42.510 0.123 0.000 1.942 361 c HN 0.699 nan 8.230 nan 0.000 0.508 362 A N -0.323 122.528 122.820 0.050 0.000 2.476 362 A HA 0.643 4.886 4.320 -0.127 0.000 0.263 362 A C 0.793 178.390 177.584 0.021 0.000 1.342 362 A CA 0.598 52.656 52.037 0.034 0.000 0.926 362 A CB -0.396 18.623 19.000 0.031 0.000 1.019 362 A HN 0.498 nan 8.150 nan 0.000 0.515 363 A N -1.269 121.563 122.820 0.020 0.000 2.248 363 A HA 0.720 4.964 4.320 -0.127 0.000 0.316 363 A C 1.416 179.001 177.584 0.001 0.000 1.101 363 A CA 0.111 52.151 52.037 0.005 0.000 0.875 363 A CB 0.293 19.289 19.000 -0.006 0.000 1.207 363 A HN 1.013 nan 8.150 nan 0.000 0.504 364 A N -1.081 121.735 122.820 -0.007 0.000 2.066 364 A HA 0.217 4.461 4.320 -0.127 0.000 0.218 364 A C 0.495 178.071 177.584 -0.013 0.000 1.157 364 A CA 2.009 54.041 52.037 -0.008 0.000 0.670 364 A CB -0.227 18.766 19.000 -0.011 0.000 0.804 364 A HN 0.739 nan 8.150 nan 0.000 0.453 365 D N -2.722 117.665 120.400 -0.022 0.000 2.752 365 D HA 0.290 4.853 4.640 -0.127 0.000 0.242 365 D C -2.252 174.005 176.300 -0.072 0.000 1.295 365 D CA -1.193 52.787 54.000 -0.034 0.000 0.846 365 D CB 0.870 41.649 40.800 -0.036 0.000 1.454 365 D HN -0.129 nan 8.370 nan 0.000 0.535 366 P HA -0.294 nan 4.420 nan 0.000 0.210 366 P C 1.367 178.363 177.300 -0.507 0.000 1.151 366 P CA 1.270 64.307 63.100 -0.105 0.000 0.949 366 P CB -0.070 31.684 31.700 0.090 0.000 0.786 367 H N -0.051 118.600 119.070 -0.698 0.000 2.280 367 H HA -0.299 4.181 4.556 -0.126 0.000 0.284 367 H C 1.993 176.845 175.328 -0.793 0.000 1.108 367 H CA 2.823 58.223 56.048 -1.079 0.000 1.163 367 H CB -0.826 28.687 29.762 -0.415 0.000 1.358 367 H HN 0.032 nan 8.280 nan 0.000 0.505 368 E N 0.262 120.325 120.200 -0.228 0.000 2.136 368 E HA -0.194 4.080 4.350 -0.127 0.000 0.202 368 E C 2.774 179.240 176.600 -0.224 0.000 1.019 368 E CA 1.710 58.027 56.400 -0.139 0.000 0.819 368 E CB -0.959 28.703 29.700 -0.063 0.000 0.739 368 E HN 0.473 nan 8.360 nan 0.000 0.458 369 c N 0.152 118.601 118.600 -0.252 0.000 2.442 369 c HA -0.141 4.353 4.570 -0.127 0.000 0.279 369 c C 2.559 176.570 174.090 -0.132 0.000 1.237 369 c CA 1.279 57.513 56.329 -0.159 0.000 1.722 369 c CB -1.482 40.968 42.510 -0.100 0.000 2.056 369 c HN 0.704 nan 8.230 nan 0.000 0.469 370 Y N 1.203 121.421 120.300 -0.137 0.000 2.490 370 Y HA 0.528 5.002 4.550 -0.126 0.000 0.281 370 Y C 1.824 177.613 175.900 -0.185 0.000 1.174 370 Y CA 0.094 58.100 58.100 -0.156 0.000 1.295 370 Y CB -1.512 36.846 38.460 -0.170 0.000 1.062 370 Y HN 0.232 nan 8.280 nan 0.000 0.522 371 A N 1.102 123.795 122.820 -0.211 0.000 2.070 371 A HA -0.054 4.190 4.320 -0.127 0.000 0.220 371 A C 1.760 179.299 177.584 -0.075 0.000 1.159 371 A CA 1.091 53.007 52.037 -0.202 0.000 0.656 371 A CB -0.247 18.566 19.000 -0.312 0.000 0.800 371 A HN 0.262 nan 8.150 nan 0.000 0.453 372 K N -0.280 120.093 120.400 -0.044 0.000 2.593 372 K HA 0.224 4.468 4.320 -0.127 0.000 0.208 372 K C 1.185 177.777 176.600 -0.013 0.000 1.051 372 K CA 0.127 56.399 56.287 -0.026 0.000 1.111 372 K CB 0.101 32.587 32.500 -0.023 0.000 0.849 372 K HN 0.239 nan 8.250 nan 0.000 0.479 373 V N 0.481 120.396 119.914 0.001 0.000 2.282 373 V HA -0.274 3.770 4.120 -0.127 0.000 0.249 373 V C 1.542 177.471 176.094 -0.274 0.000 1.057 373 V CA 1.877 64.130 62.300 -0.079 0.000 1.032 373 V CB -0.417 31.413 31.823 0.012 0.000 0.645 373 V HN 0.195 nan 8.190 nan 0.000 0.447 374 F N 0.773 120.431 119.950 -0.487 0.000 2.373 374 F HA -0.121 4.331 4.527 -0.125 0.000 0.300 374 F C 2.096 177.789 175.800 -0.178 0.000 1.080 374 F CA 1.678 59.408 58.000 -0.451 0.000 1.417 374 F CB -1.145 37.819 39.000 -0.061 0.000 1.070 374 F HN 0.329 nan 8.300 nan 0.000 0.546 375 D N -0.143 120.286 120.400 0.048 0.000 2.219 375 D HA -0.121 4.443 4.640 -0.127 0.000 0.205 375 D C 1.951 178.276 176.300 0.042 0.000 0.970 375 D CA 1.015 55.048 54.000 0.054 0.000 0.851 375 D CB -0.046 40.772 40.800 0.030 0.000 0.943 375 D HN 0.394 nan 8.370 nan 0.000 0.488 376 E N -0.915 119.283 120.200 -0.003 0.000 2.318 376 E HA -0.036 4.238 4.350 -0.127 0.000 0.193 376 E C 1.453 178.160 176.600 0.178 0.000 0.998 376 E CA -0.003 56.429 56.400 0.054 0.000 0.859 376 E CB 0.024 29.743 29.700 0.031 0.000 0.812 376 E HN 0.229 nan 8.360 nan 0.000 0.492 377 F N 2.411 122.359 119.950 -0.003 0.000 2.126 377 F HA -0.162 4.291 4.527 -0.124 0.000 0.299 377 F C 2.301 178.057 175.800 -0.073 0.000 1.096 377 F CA 0.951 58.902 58.000 -0.082 0.000 1.255 377 F CB -0.813 38.099 39.000 -0.147 0.000 0.997 377 F HN -0.041 nan 8.300 nan 0.000 0.479 378 K N 0.264 120.772 120.400 0.181 0.000 2.032 378 K HA -0.240 4.003 4.320 -0.127 0.000 0.218 378 K C -0.543 176.077 176.600 0.034 0.000 1.054 378 K CA 2.449 58.791 56.287 0.092 0.000 0.941 378 K CB -1.336 31.216 32.500 0.087 0.000 0.720 378 K HN 0.114 nan 8.250 nan 0.000 0.449 379 P HA -0.166 nan 4.420 nan 0.000 0.215 379 P C 1.412 178.695 177.300 -0.029 0.000 1.157 379 P CA 1.315 64.418 63.100 0.005 0.000 0.868 379 P CB -0.046 31.662 31.700 0.013 0.000 0.788 380 L N -1.096 120.107 121.223 -0.032 0.000 2.013 380 L HA -0.182 4.082 4.340 -0.127 0.000 0.212 380 L C 2.368 179.134 176.870 -0.173 0.000 1.073 380 L CA 1.560 56.342 54.840 -0.096 0.000 0.753 380 L CB -1.066 40.926 42.059 -0.111 0.000 0.890 380 L HN -0.111 nan 8.230 nan 0.000 0.432 381 V N -0.545 119.251 119.914 -0.198 0.000 2.453 381 V HA -0.223 3.820 4.120 -0.127 0.000 0.247 381 V C 2.258 178.233 176.094 -0.198 0.000 1.048 381 V CA 1.625 63.742 62.300 -0.305 0.000 1.049 381 V CB -0.412 31.233 31.823 -0.297 0.000 0.672 381 V HN 0.448 nan 8.190 nan 0.000 0.457 382 E N -0.396 119.742 120.200 -0.103 0.000 2.107 382 E HA -0.179 4.095 4.350 -0.127 0.000 0.191 382 E C 2.298 178.864 176.600 -0.057 0.000 0.982 382 E CA 0.657 57.021 56.400 -0.061 0.000 0.809 382 E CB -0.113 29.573 29.700 -0.024 0.000 0.756 382 E HN 0.518 nan 8.360 nan 0.000 0.459 383 E N 0.857 121.020 120.200 -0.062 0.000 2.065 383 E HA -0.188 4.086 4.350 -0.127 0.000 0.201 383 E C -0.730 175.842 176.600 -0.047 0.000 1.016 383 E CA 1.736 58.107 56.400 -0.047 0.000 0.818 383 E CB -0.781 28.889 29.700 -0.050 0.000 0.749 383 E HN 0.207 nan 8.360 nan 0.000 0.453 384 P HA -0.075 nan 4.420 nan 0.000 0.216 384 P C 1.405 178.677 177.300 -0.046 0.000 1.153 384 P CA 1.271 64.333 63.100 -0.063 0.000 0.844 384 P CB -0.165 31.472 31.700 -0.105 0.000 0.787 385 Q N -0.462 119.302 119.800 -0.061 0.000 2.077 385 Q HA -0.197 4.067 4.340 -0.127 0.000 0.206 385 Q C 1.946 177.940 176.000 -0.011 0.000 0.989 385 Q CA 1.489 57.272 55.803 -0.034 0.000 0.853 385 Q CB -0.644 28.074 28.738 -0.033 0.000 0.907 385 Q HN 0.302 nan 8.270 nan 0.000 0.418 386 N N 0.553 119.247 118.700 -0.010 0.000 2.188 386 N HA -0.129 4.535 4.740 -0.127 0.000 0.184 386 N C 1.755 177.274 175.510 0.015 0.000 1.018 386 N CA 0.693 53.746 53.050 0.005 0.000 0.858 386 N CB -0.294 38.195 38.487 0.003 0.000 0.989 386 N HN 0.120 nan 8.380 nan 0.000 0.426 387 L N 1.337 122.567 121.223 0.013 0.000 2.012 387 L HA -0.098 4.166 4.340 -0.127 0.000 0.210 387 L C 1.923 178.819 176.870 0.044 0.000 1.073 387 L CA 1.315 56.173 54.840 0.032 0.000 0.748 387 L CB -0.500 41.576 42.059 0.027 0.000 0.891 387 L HN 0.020 nan 8.230 nan 0.000 0.431 388 I N -0.429 120.157 120.570 0.027 0.000 2.127 388 I HA -0.329 3.764 4.170 -0.127 0.000 0.241 388 I C 2.735 178.866 176.117 0.023 0.000 1.075 388 I CA 1.604 62.919 61.300 0.024 0.000 1.334 388 I CB -1.654 36.351 38.000 0.007 0.000 1.040 388 I HN 0.259 nan 8.210 nan 0.000 0.405 389 K N 0.768 121.180 120.400 0.020 0.000 2.074 389 K HA -0.277 3.967 4.320 -0.127 0.000 0.209 389 K C 2.474 179.092 176.600 0.031 0.000 1.048 389 K CA 2.133 58.432 56.287 0.021 0.000 0.926 389 K CB -0.960 31.551 32.500 0.019 0.000 0.713 389 K HN 0.675 nan 8.250 nan 0.000 0.444 390 Q N 0.668 120.494 119.800 0.043 0.000 2.016 390 Q HA -0.029 4.235 4.340 -0.127 0.000 0.200 390 Q C 2.119 178.171 176.000 0.087 0.000 0.978 390 Q CA 1.813 57.651 55.803 0.059 0.000 0.833 390 Q CB -1.006 27.769 28.738 0.062 0.000 0.895 390 Q HN 0.755 nan 8.270 nan 0.000 0.427 391 N N -0.422 118.345 118.700 0.113 0.000 2.381 391 N HA -0.088 4.576 4.740 -0.127 0.000 0.182 391 N C 1.732 177.263 175.510 0.036 0.000 1.025 391 N CA 1.229 54.392 53.050 0.188 0.000 0.888 391 N CB -0.227 38.419 38.487 0.265 0.000 0.965 391 N HN 0.596 nan 8.380 nan 0.000 0.438 392 c N 0.589 119.189 118.600 -0.001 0.000 2.495 392 c HA 0.083 4.577 4.570 -0.127 0.000 0.275 392 c C 2.488 176.585 174.090 0.011 0.000 1.392 392 c CA 0.039 56.341 56.329 -0.045 0.000 1.766 392 c CB -0.519 41.973 42.510 -0.031 0.000 1.933 392 c HN 0.445 nan 8.230 nan 0.000 0.519 393 E N 0.124 120.339 120.200 0.024 0.000 2.033 393 E HA -0.155 4.119 4.350 -0.127 0.000 0.189 393 E C 1.975 178.590 176.600 0.025 0.000 0.979 393 E CA 0.778 57.196 56.400 0.029 0.000 0.802 393 E CB -0.187 29.535 29.700 0.037 0.000 0.763 393 E HN 0.407 nan 8.360 nan 0.000 0.449 394 L N 0.787 122.047 121.223 0.061 0.000 1.990 394 L HA -0.201 4.063 4.340 -0.127 0.000 0.213 394 L C 2.151 179.024 176.870 0.006 0.000 1.072 394 L CA 1.712 56.615 54.840 0.106 0.000 0.755 394 L CB -0.703 41.523 42.059 0.280 0.000 0.889 394 L HN 0.161 nan 8.230 nan 0.000 0.432 395 F N 0.618 120.307 119.950 -0.435 0.000 2.120 395 F HA -0.257 4.197 4.527 -0.122 0.000 0.300 395 F C 2.288 177.916 175.800 -0.287 0.000 1.095 395 F CA 2.143 59.705 58.000 -0.730 0.000 1.249 395 F CB -0.303 37.987 39.000 -1.183 0.000 0.995 395 F HN 0.272 nan 8.300 nan 0.000 0.480 396 E N -0.320 119.791 120.200 -0.148 0.000 2.110 396 E HA -0.286 3.988 4.350 -0.127 0.000 0.193 396 E C 2.441 178.925 176.600 -0.193 0.000 0.988 396 E CA 1.384 57.688 56.400 -0.159 0.000 0.804 396 E CB -0.431 29.261 29.700 -0.013 0.000 0.745 396 E HN 0.719 nan 8.360 nan 0.000 0.458 397 Q N 1.008 120.732 119.800 -0.128 0.000 2.020 397 Q HA -0.045 4.219 4.340 -0.127 0.000 0.198 397 Q C 2.142 178.082 176.000 -0.099 0.000 0.974 397 Q CA 1.433 57.188 55.803 -0.082 0.000 0.829 397 Q CB -0.872 27.851 28.738 -0.025 0.000 0.894 397 Q HN 0.343 nan 8.270 nan 0.000 0.433 398 L N -1.311 119.850 121.223 -0.105 0.000 2.509 398 L HA 0.499 4.763 4.340 -0.127 0.000 0.222 398 L C 1.427 178.214 176.870 -0.138 0.000 1.123 398 L CA 0.220 55.020 54.840 -0.066 0.000 0.856 398 L CB -0.671 41.410 42.059 0.036 0.000 0.985 398 L HN 0.659 nan 8.230 nan 0.000 0.456 399 G N 0.939 109.512 108.800 -0.380 0.000 2.795 399 G HA2 -0.282 3.602 3.960 -0.127 0.000 0.664 399 G HA3 -0.282 3.602 3.960 -0.127 0.000 0.664 399 G C 0.314 174.982 174.900 -0.386 0.000 1.381 399 G CA 0.197 45.023 45.100 -0.457 0.000 0.853 399 G HN 0.280 nan 8.290 nan 0.000 0.545 400 E N -0.904 119.190 120.200 -0.176 0.000 2.031 400 E HA -0.189 4.085 4.350 -0.127 0.000 0.193 400 E C 2.085 178.858 176.600 0.288 0.000 0.994 400 E CA 1.874 58.420 56.400 0.243 0.000 0.800 400 E CB -0.180 29.719 29.700 0.333 0.000 0.752 400 E HN 0.646 nan 8.360 nan 0.000 0.447 401 Y N 1.053 121.413 120.300 0.100 0.000 2.097 401 Y HA -0.280 4.193 4.550 -0.129 0.000 0.282 401 Y C 2.420 178.380 175.900 0.100 0.000 1.152 401 Y CA 3.100 61.257 58.100 0.094 0.000 1.136 401 Y CB -0.773 37.724 38.460 0.061 0.000 0.975 401 Y HN 0.050 nan 8.280 nan 0.000 0.498 402 K N -0.183 120.215 120.400 -0.003 0.000 2.097 402 K HA -0.172 4.072 4.320 -0.127 0.000 0.205 402 K C 2.062 178.664 176.600 0.003 0.000 1.050 402 K CA 1.505 57.739 56.287 -0.089 0.000 0.938 402 K CB -1.777 30.736 32.500 0.022 0.000 0.718 402 K HN 0.507 nan 8.250 nan 0.000 0.442 403 F N 1.906 121.831 119.950 -0.042 0.000 2.102 403 F HA -0.146 4.302 4.527 -0.131 0.000 0.298 403 F C 2.551 178.370 175.800 0.032 0.000 1.105 403 F CA 1.931 59.958 58.000 0.044 0.000 1.239 403 F CB -0.246 38.876 39.000 0.202 0.000 0.991 403 F HN 0.366 nan 8.300 nan 0.000 0.474 404 Q N -0.164 119.649 119.800 0.022 0.000 2.096 404 Q HA -0.231 4.033 4.340 -0.127 0.000 0.204 404 Q C 1.917 177.811 176.000 -0.176 0.000 0.982 404 Q CA 1.652 57.400 55.803 -0.091 0.000 0.850 404 Q CB -0.320 28.426 28.738 0.013 0.000 0.901 404 Q HN 0.382 nan 8.270 nan 0.000 0.422 405 N N 0.335 118.902 118.700 -0.222 0.000 2.223 405 N HA -0.133 4.531 4.740 -0.127 0.000 0.185 405 N C 1.482 176.901 175.510 -0.152 0.000 1.016 405 N CA 1.246 54.168 53.050 -0.214 0.000 0.863 405 N CB -0.339 37.968 38.487 -0.301 0.000 0.983 405 N HN 0.258 nan 8.380 nan 0.000 0.429 406 A N 1.241 123.959 122.820 -0.170 0.000 1.845 406 A HA -0.056 4.188 4.320 -0.127 0.000 0.215 406 A C 2.278 179.770 177.584 -0.153 0.000 1.195 406 A CA 1.010 52.957 52.037 -0.150 0.000 0.616 406 A CB -0.871 18.026 19.000 -0.171 0.000 0.832 406 A HN 0.230 nan 8.150 nan 0.000 0.443 407 L N -0.540 120.532 121.223 -0.252 0.000 2.191 407 L HA -0.164 4.100 4.340 -0.127 0.000 0.212 407 L C 2.544 179.410 176.870 -0.008 0.000 1.103 407 L CA 0.647 55.412 54.840 -0.125 0.000 0.769 407 L CB -0.577 41.312 42.059 -0.282 0.000 0.908 407 L HN 0.378 nan 8.230 nan 0.000 0.438 408 L N -0.691 120.487 121.223 -0.076 0.000 1.994 408 L HA -0.203 4.061 4.340 -0.127 0.000 0.208 408 L C 2.572 179.439 176.870 -0.006 0.000 1.071 408 L CA 1.223 56.038 54.840 -0.042 0.000 0.745 408 L CB -0.279 41.742 42.059 -0.063 0.000 0.892 408 L HN 0.066 nan 8.230 nan 0.000 0.431 409 V N -0.320 119.578 119.914 -0.026 0.000 2.233 409 V HA -0.341 3.703 4.120 -0.127 0.000 0.247 409 V C 2.576 178.662 176.094 -0.015 0.000 1.050 409 V CA 2.110 64.397 62.300 -0.023 0.000 1.010 409 V CB -0.726 31.079 31.823 -0.031 0.000 0.637 409 V HN 0.448 nan 8.190 nan 0.000 0.444 410 R N -0.904 119.592 120.500 -0.007 0.000 2.115 410 R HA -0.243 4.021 4.340 -0.127 0.000 0.239 410 R C 2.324 178.581 176.300 -0.072 0.000 1.133 410 R CA 2.429 58.509 56.100 -0.034 0.000 0.935 410 R CB -0.553 29.739 30.300 -0.013 0.000 0.853 410 R HN 0.542 nan 8.270 nan 0.000 0.433 411 Y N -0.042 120.207 120.300 -0.086 0.000 2.352 411 Y HA -0.122 4.356 4.550 -0.121 0.000 0.292 411 Y C 2.450 178.297 175.900 -0.088 0.000 1.136 411 Y CA 1.733 59.783 58.100 -0.083 0.000 1.227 411 Y CB -0.100 38.295 38.460 -0.107 0.000 0.991 411 Y HN 0.184 nan 8.280 nan 0.000 0.545 412 T N -0.759 113.813 114.554 0.029 0.000 2.951 412 T HA -0.121 4.153 4.350 -0.127 0.000 0.268 412 T C 1.781 176.414 174.700 -0.112 0.000 1.073 412 T CA 1.124 63.196 62.100 -0.048 0.000 1.134 412 T CB -0.056 68.780 68.868 -0.054 0.000 0.884 412 T HN 0.257 nan 8.240 nan 0.000 0.479 413 K N 0.879 121.223 120.400 -0.093 0.000 2.103 413 K HA 0.055 4.299 4.320 -0.127 0.000 0.204 413 K C 2.374 178.904 176.600 -0.117 0.000 1.052 413 K CA 0.805 57.031 56.287 -0.103 0.000 0.945 413 K CB 0.068 32.525 32.500 -0.072 0.000 0.722 413 K HN 0.240 nan 8.250 nan 0.000 0.443 414 K N 0.401 120.720 120.400 -0.135 0.000 2.002 414 K HA -0.084 4.160 4.320 -0.127 0.000 0.209 414 K C 0.826 177.370 176.600 -0.093 0.000 1.048 414 K CA 1.450 57.657 56.287 -0.134 0.000 0.930 414 K CB 0.138 32.510 32.500 -0.213 0.000 0.714 414 K HN 0.056 nan 8.250 nan 0.000 0.438 415 V N -1.364 118.501 119.914 -0.081 0.000 2.383 415 V HA 0.230 4.274 4.120 -0.127 0.000 0.261 415 V C -2.657 173.354 176.094 -0.138 0.000 0.987 415 V CA -1.607 60.649 62.300 -0.074 0.000 0.853 415 V CB 1.183 33.005 31.823 -0.003 0.000 1.095 415 V HN -0.049 nan 8.190 nan 0.000 0.461 416 P HA -0.026 nan 4.420 nan 0.000 0.231 416 P C 1.232 178.306 177.300 -0.377 0.000 1.158 416 P CA 1.011 63.794 63.100 -0.528 0.000 0.763 416 P CB 0.303 31.233 31.700 -1.284 0.000 0.805 417 Q N -0.963 118.737 119.800 -0.166 0.000 2.187 417 Q HA 0.013 4.277 4.340 -0.127 0.000 0.199 417 Q C 0.675 176.686 176.000 0.017 0.000 0.957 417 Q CA 0.404 56.200 55.803 -0.013 0.000 0.857 417 Q CB -0.825 27.948 28.738 0.058 0.000 0.929 417 Q HN 0.074 nan 8.270 nan 0.000 0.453 418 V N 2.457 122.380 119.914 0.014 0.000 2.788 418 V HA -0.054 3.990 4.120 -0.127 0.000 0.307 418 V C 0.437 176.540 176.094 0.015 0.000 1.069 418 V CA -0.032 62.298 62.300 0.049 0.000 1.173 418 V CB 0.574 32.420 31.823 0.038 0.000 0.925 418 V HN 0.378 nan 8.190 nan 0.000 0.492 419 S N 3.112 118.826 115.700 0.024 0.000 2.552 419 S HA 0.005 4.399 4.470 -0.127 0.000 0.289 419 S C 1.311 175.907 174.600 -0.007 0.000 1.304 419 S CA 0.020 58.223 58.200 0.005 0.000 1.063 419 S CB 0.726 63.928 63.200 0.004 0.000 0.848 419 S HN 0.811 nan 8.310 nan 0.000 0.499 420 T N 4.016 118.562 114.554 -0.013 0.000 2.653 420 T HA -0.089 4.185 4.350 -0.127 0.000 0.268 420 T C -0.856 173.837 174.700 -0.012 0.000 1.035 420 T CA 1.898 63.989 62.100 -0.016 0.000 1.154 420 T CB -1.731 67.127 68.868 -0.015 0.000 0.862 420 T HN 0.579 nan 8.240 nan 0.000 0.441 421 P HA -0.081 nan 4.420 nan 0.000 0.215 421 P C 1.675 178.965 177.300 -0.016 0.000 1.157 421 P CA 1.363 64.458 63.100 -0.008 0.000 0.874 421 P CB -0.364 31.331 31.700 -0.008 0.000 0.790 422 T N -0.279 114.264 114.554 -0.018 0.000 2.746 422 T HA -0.088 4.186 4.350 -0.127 0.000 0.267 422 T C 1.824 176.496 174.700 -0.046 0.000 1.039 422 T CA 1.012 63.094 62.100 -0.029 0.000 1.142 422 T CB -0.985 67.875 68.868 -0.013 0.000 0.866 422 T HN 0.046 nan 8.240 nan 0.000 0.444 423 L N 0.744 121.945 121.223 -0.037 0.000 2.042 423 L HA -0.116 4.148 4.340 -0.127 0.000 0.210 423 L C 2.677 179.510 176.870 -0.061 0.000 1.076 423 L CA 0.993 55.803 54.840 -0.049 0.000 0.749 423 L CB -0.693 41.348 42.059 -0.030 0.000 0.893 423 L HN 0.165 nan 8.230 nan 0.000 0.432 424 V N -0.191 119.701 119.914 -0.036 0.000 2.270 424 V HA -0.275 3.769 4.120 -0.127 0.000 0.245 424 V C 2.464 178.539 176.094 -0.031 0.000 1.043 424 V CA 2.027 64.312 62.300 -0.024 0.000 1.014 424 V CB -0.503 31.322 31.823 0.003 0.000 0.645 424 V HN 0.458 nan 8.190 nan 0.000 0.447 425 E N 0.377 120.559 120.200 -0.031 0.000 2.153 425 E HA -0.178 4.096 4.350 -0.127 0.000 0.194 425 E C 1.906 178.467 176.600 -0.064 0.000 0.988 425 E CA 1.661 58.043 56.400 -0.030 0.000 0.811 425 E CB -0.269 29.415 29.700 -0.027 0.000 0.746 425 E HN 0.367 nan 8.360 nan 0.000 0.466 426 V N -0.059 119.791 119.914 -0.106 0.000 2.346 426 V HA -0.171 3.873 4.120 -0.127 0.000 0.244 426 V C 2.359 178.319 176.094 -0.224 0.000 1.037 426 V CA 1.724 63.917 62.300 -0.178 0.000 1.029 426 V CB -0.561 31.128 31.823 -0.224 0.000 0.663 426 V HN 0.253 nan 8.190 nan 0.000 0.454 427 S N -0.317 115.254 115.700 -0.215 0.000 2.368 427 S HA -0.187 4.207 4.470 -0.127 0.000 0.225 427 S C 2.101 176.621 174.600 -0.133 0.000 1.030 427 S CA 1.446 59.503 58.200 -0.237 0.000 0.999 427 S CB -0.302 62.798 63.200 -0.168 0.000 0.844 427 S HN 0.503 nan 8.310 nan 0.000 0.459 428 R N 1.427 121.891 120.500 -0.061 0.000 2.083 428 R HA -0.043 4.221 4.340 -0.127 0.000 0.237 428 R C 1.857 178.182 176.300 0.041 0.000 1.137 428 R CA 1.523 57.630 56.100 0.013 0.000 0.951 428 R CB -0.526 29.796 30.300 0.035 0.000 0.851 428 R HN 0.382 nan 8.270 nan 0.000 0.434 429 N N 0.856 119.564 118.700 0.015 0.000 2.244 429 N HA -0.100 4.563 4.740 -0.127 0.000 0.183 429 N C 1.904 177.491 175.510 0.127 0.000 1.016 429 N CA 0.939 54.035 53.050 0.077 0.000 0.866 429 N CB -0.201 38.291 38.487 0.007 0.000 0.980 429 N HN 0.212 nan 8.380 nan 0.000 0.430 430 L N 0.158 121.374 121.223 -0.012 0.000 2.093 430 L HA -0.019 4.245 4.340 -0.127 0.000 0.208 430 L C 2.341 179.283 176.870 0.121 0.000 1.085 430 L CA 1.213 56.048 54.840 -0.009 0.000 0.755 430 L CB -0.681 41.237 42.059 -0.235 0.000 0.904 430 L HN 0.206 nan 8.230 nan 0.000 0.435 431 G N -0.473 108.393 108.800 0.110 0.000 2.448 431 G HA2 -0.181 3.703 3.960 -0.127 0.000 0.218 431 G HA3 -0.181 3.703 3.960 -0.127 0.000 0.218 431 G C 1.583 176.648 174.900 0.276 0.000 1.135 431 G CA 0.129 45.409 45.100 0.301 0.000 0.784 431 G HN 0.273 nan 8.290 nan 0.000 0.543 432 K N 0.138 120.640 120.400 0.170 0.000 2.442 432 K HA 0.060 4.304 4.320 -0.127 0.000 0.198 432 K C 2.241 178.772 176.600 -0.115 0.000 1.042 432 K CA 0.276 56.604 56.287 0.069 0.000 0.958 432 K CB 0.032 32.582 32.500 0.084 0.000 0.766 432 K HN 0.238 nan 8.250 nan 0.000 0.474 433 V N 0.808 120.683 119.914 -0.064 0.000 2.667 433 V HA -0.119 3.925 4.120 -0.127 0.000 0.252 433 V C 1.998 177.872 176.094 -0.365 0.000 1.065 433 V CA 2.036 64.206 62.300 -0.217 0.000 1.083 433 V CB -0.401 31.466 31.823 0.074 0.000 0.692 433 V HN 0.426 nan 8.190 nan 0.000 0.468 434 G N 0.010 108.464 108.800 -0.577 0.000 2.480 434 G HA2 -0.287 3.597 3.960 -0.127 0.000 0.216 434 G HA3 -0.287 3.597 3.960 -0.127 0.000 0.216 434 G C 1.779 175.925 174.900 -1.257 0.000 1.200 434 G CA 1.323 45.530 45.100 -1.488 0.000 0.782 434 G HN 0.628 nan 8.290 nan 0.000 0.554 435 S N 0.384 115.621 115.700 -0.771 0.000 2.368 435 S HA -0.133 4.261 4.470 -0.127 0.000 0.225 435 S C 2.138 176.609 174.600 -0.215 0.000 1.030 435 S CA 1.684 59.762 58.200 -0.203 0.000 0.999 435 S CB -0.352 62.877 63.200 0.047 0.000 0.844 435 S HN 0.384 nan 8.310 nan 0.000 0.459 436 K N 0.630 120.874 120.400 -0.260 0.000 2.057 436 K HA -0.031 4.213 4.320 -0.127 0.000 0.207 436 K C 2.059 178.553 176.600 -0.177 0.000 1.049 436 K CA 1.562 57.710 56.287 -0.232 0.000 0.931 436 K CB -1.045 31.239 32.500 -0.360 0.000 0.714 436 K HN 0.724 nan 8.250 nan 0.000 0.440 437 c N -1.728 116.757 118.600 -0.192 0.000 2.628 437 c HA 0.322 4.815 4.570 -0.127 0.000 0.393 437 c C 2.718 176.765 174.090 -0.072 0.000 1.328 437 c CA -0.155 56.149 56.329 -0.041 0.000 2.079 437 c CB -0.788 41.698 42.510 -0.039 0.000 2.663 437 c HN 0.722 nan 8.230 nan 0.000 0.557 438 c N 1.916 120.397 118.600 -0.198 0.000 2.398 438 c HA -0.140 4.353 4.570 -0.127 0.000 0.282 438 c C 2.803 176.846 174.090 -0.079 0.000 1.275 438 c CA 2.182 58.421 56.329 -0.149 0.000 1.797 438 c CB -1.431 40.933 42.510 -0.244 0.000 1.991 438 c HN 0.739 nan 8.230 nan 0.000 0.505 439 K N -0.525 119.796 120.400 -0.131 0.000 2.546 439 K HA 0.072 4.316 4.320 -0.127 0.000 0.198 439 K C 0.336 176.833 176.600 -0.173 0.000 1.028 439 K CA 0.513 56.719 56.287 -0.136 0.000 1.150 439 K CB -0.573 31.826 32.500 -0.167 0.000 0.876 439 K HN 0.694 nan 8.250 nan 0.000 0.508 440 H N 0.555 119.601 119.070 -0.041 0.000 2.502 440 H HA 0.375 4.854 4.556 -0.129 0.000 0.338 440 H C -2.499 172.815 175.328 -0.023 0.000 1.155 440 H CA -2.383 53.645 56.048 -0.033 0.000 1.237 440 H CB 1.915 31.651 29.762 -0.042 0.000 1.534 440 H HN 0.099 nan 8.280 nan 0.000 0.523 441 P HA 0.039 nan 4.420 nan 0.000 0.271 441 P C 0.334 177.663 177.300 0.048 0.000 1.218 441 P CA -0.134 63.008 63.100 0.070 0.000 0.780 441 P CB 1.234 32.964 31.700 0.051 0.000 0.901 442 E N 1.784 122.003 120.200 0.032 0.000 2.233 442 E HA -0.221 4.053 4.350 -0.127 0.000 0.199 442 E C 2.026 178.637 176.600 0.017 0.000 1.004 442 E CA 2.120 58.535 56.400 0.025 0.000 0.819 442 E CB -0.586 29.129 29.700 0.025 0.000 0.738 442 E HN 0.554 nan 8.360 nan 0.000 0.478 443 A N 0.521 123.346 122.820 0.007 0.000 2.015 443 A HA -0.167 4.077 4.320 -0.127 0.000 0.219 443 A C 1.646 179.208 177.584 -0.037 0.000 1.163 443 A CA 1.301 53.334 52.037 -0.007 0.000 0.646 443 A CB 0.027 19.015 19.000 -0.019 0.000 0.806 443 A HN 0.069 nan 8.150 nan 0.000 0.448 444 K N -1.671 118.688 120.400 -0.068 0.000 2.374 444 K HA 0.212 4.455 4.320 -0.127 0.000 0.202 444 K C 1.741 178.245 176.600 -0.159 0.000 1.040 444 K CA -0.221 55.967 56.287 -0.166 0.000 1.085 444 K CB 0.472 32.778 32.500 -0.323 0.000 0.873 444 K HN 0.277 nan 8.250 nan 0.000 0.539 445 R N 1.009 121.479 120.500 -0.050 0.000 2.062 445 R HA 0.064 4.328 4.340 -0.127 0.000 0.231 445 R C 2.289 178.579 176.300 -0.016 0.000 1.136 445 R CA 1.416 57.512 56.100 -0.008 0.000 0.948 445 R CB -0.007 30.305 30.300 0.020 0.000 0.845 445 R HN 0.127 nan 8.270 nan 0.000 0.430 446 M N 0.700 120.293 119.600 -0.011 0.000 2.067 446 M HA -0.088 4.316 4.480 -0.127 0.000 0.260 446 M C -0.937 175.353 176.300 -0.017 0.000 1.069 446 M CA 1.714 57.005 55.300 -0.013 0.000 1.117 446 M CB -0.845 31.746 32.600 -0.014 0.000 1.334 446 M HN -0.020 nan 8.290 nan 0.000 0.407 447 P HA -0.154 nan 4.420 nan 0.000 0.216 447 P C 1.759 179.046 177.300 -0.021 0.000 1.150 447 P CA 1.399 64.480 63.100 -0.031 0.000 0.837 447 P CB -0.526 31.141 31.700 -0.055 0.000 0.786 448 c N 0.109 118.686 118.600 -0.039 0.000 2.491 448 c HA -0.036 4.458 4.570 -0.127 0.000 0.283 448 c C 3.028 177.142 174.090 0.040 0.000 1.238 448 c CA 2.026 58.344 56.329 -0.018 0.000 1.735 448 c CB -1.539 40.948 42.510 -0.039 0.000 2.080 448 c HN 0.261 nan 8.230 nan 0.000 0.463 449 A N -0.272 122.567 122.820 0.031 0.000 1.845 449 A HA -0.217 4.027 4.320 -0.127 0.000 0.215 449 A C 2.119 179.761 177.584 0.097 0.000 1.195 449 A CA 2.085 54.161 52.037 0.066 0.000 0.616 449 A CB -1.168 17.849 19.000 0.029 0.000 0.832 449 A HN 0.804 nan 8.150 nan 0.000 0.443 450 E N -0.407 119.820 120.200 0.044 0.000 2.058 450 E HA -0.235 4.039 4.350 -0.127 0.000 0.194 450 E C 1.399 178.015 176.600 0.027 0.000 0.997 450 E CA 1.492 57.906 56.400 0.024 0.000 0.801 450 E CB -0.124 29.567 29.700 -0.015 0.000 0.746 450 E HN 0.532 nan 8.360 nan 0.000 0.450 451 D N -0.588 119.836 120.400 0.041 0.000 2.178 451 D HA -0.168 4.396 4.640 -0.127 0.000 0.202 451 D C 1.625 177.959 176.300 0.057 0.000 0.974 451 D CA 0.778 54.807 54.000 0.049 0.000 0.841 451 D CB -0.268 40.571 40.800 0.065 0.000 0.953 451 D HN 0.317 nan 8.370 nan 0.000 0.478 452 Y N 1.481 121.771 120.300 -0.018 0.000 2.293 452 Y HA -0.099 4.383 4.550 -0.114 0.000 0.291 452 Y C 2.077 177.953 175.900 -0.040 0.000 1.137 452 Y CA 1.059 59.144 58.100 -0.025 0.000 1.202 452 Y CB -0.344 38.103 38.460 -0.022 0.000 0.990 452 Y HN -0.100 nan 8.280 nan 0.000 0.537 453 L N -0.930 120.222 121.223 -0.117 0.000 2.201 453 L HA -0.178 4.086 4.340 -0.127 0.000 0.212 453 L C 2.395 179.144 176.870 -0.203 0.000 1.105 453 L CA 1.224 55.951 54.840 -0.189 0.000 0.775 453 L CB -0.592 41.441 42.059 -0.043 0.000 0.913 453 L HN 0.114 nan 8.230 nan 0.000 0.440 454 S N -0.492 115.122 115.700 -0.142 0.000 2.383 454 S HA -0.115 4.278 4.470 -0.127 0.000 0.227 454 S C 2.050 176.544 174.600 -0.178 0.000 1.026 454 S CA 0.994 59.120 58.200 -0.124 0.000 0.981 454 S CB -0.117 63.035 63.200 -0.080 0.000 0.818 454 S HN 0.165 nan 8.310 nan 0.000 0.472 455 V N 1.592 121.366 119.914 -0.233 0.000 2.270 455 V HA -0.117 3.927 4.120 -0.127 0.000 0.245 455 V C 2.344 178.261 176.094 -0.295 0.000 1.043 455 V CA 1.387 63.534 62.300 -0.254 0.000 1.014 455 V CB -0.784 30.885 31.823 -0.257 0.000 0.645 455 V HN 0.344 nan 8.190 nan 0.000 0.447 456 V N -0.147 119.511 119.914 -0.427 0.000 2.343 456 V HA -0.252 3.792 4.120 -0.127 0.000 0.247 456 V C 2.300 178.215 176.094 -0.300 0.000 1.051 456 V CA 1.850 63.917 62.300 -0.388 0.000 1.036 456 V CB -0.637 30.893 31.823 -0.489 0.000 0.654 456 V HN 0.437 nan 8.190 nan 0.000 0.451 457 L N 0.470 121.521 121.223 -0.285 0.000 2.201 457 L HA -0.117 4.146 4.340 -0.127 0.000 0.212 457 L C 2.307 179.069 176.870 -0.181 0.000 1.105 457 L CA 1.504 56.176 54.840 -0.280 0.000 0.775 457 L CB -0.611 41.310 42.059 -0.230 0.000 0.913 457 L HN 0.437 nan 8.230 nan 0.000 0.440 458 N N -0.198 118.412 118.700 -0.150 0.000 2.550 458 N HA -0.154 4.510 4.740 -0.127 0.000 0.186 458 N C 1.716 177.159 175.510 -0.111 0.000 1.110 458 N CA 0.833 53.822 53.050 -0.103 0.000 0.912 458 N CB 0.222 38.637 38.487 -0.120 0.000 0.968 458 N HN 0.386 nan 8.380 nan 0.000 0.448 459 Q N -0.565 119.151 119.800 -0.140 0.000 2.061 459 Q HA -0.009 4.255 4.340 -0.127 0.000 0.195 459 Q C 1.820 177.766 176.000 -0.091 0.000 0.967 459 Q CA 0.928 56.658 55.803 -0.121 0.000 0.829 459 Q CB -0.242 28.416 28.738 -0.134 0.000 0.900 459 Q HN 0.329 nan 8.270 nan 0.000 0.450 460 L N 0.746 121.897 121.223 -0.120 0.000 2.081 460 L HA -0.188 4.076 4.340 -0.127 0.000 0.212 460 L C 2.016 178.884 176.870 -0.004 0.000 1.080 460 L CA 1.741 56.527 54.840 -0.090 0.000 0.754 460 L CB -0.827 41.114 42.059 -0.197 0.000 0.893 460 L HN 0.270 nan 8.230 nan 0.000 0.433 461 c N -1.073 117.521 118.600 -0.009 0.000 2.462 461 c HA -0.128 4.366 4.570 -0.127 0.000 0.278 461 c C 2.895 177.020 174.090 0.060 0.000 1.253 461 c CA 1.200 57.568 56.329 0.065 0.000 1.713 461 c CB -0.970 41.582 42.510 0.070 0.000 2.049 461 c HN 0.649 nan 8.230 nan 0.000 0.477 462 V N -0.259 119.650 119.914 -0.008 0.000 2.427 462 V HA -0.130 3.914 4.120 -0.127 0.000 0.248 462 V C 2.076 178.159 176.094 -0.019 0.000 1.051 462 V CA 1.910 64.188 62.300 -0.037 0.000 1.048 462 V CB -1.034 30.726 31.823 -0.105 0.000 0.666 462 V HN 0.592 nan 8.190 nan 0.000 0.456 463 L N -0.003 121.214 121.223 -0.010 0.000 2.141 463 L HA -0.111 4.153 4.340 -0.127 0.000 0.209 463 L C 2.745 179.628 176.870 0.023 0.000 1.094 463 L CA 2.174 57.010 54.840 -0.006 0.000 0.763 463 L CB -0.748 41.302 42.059 -0.015 0.000 0.908 463 L HN 0.519 nan 8.230 nan 0.000 0.437 464 H N -0.019 119.036 119.070 -0.025 0.000 2.403 464 H HA -0.169 4.309 4.556 -0.131 0.000 0.298 464 H C 2.170 177.492 175.328 -0.009 0.000 1.059 464 H CA 1.531 57.574 56.048 -0.009 0.000 1.363 464 H CB 0.218 29.988 29.762 0.014 0.000 1.410 464 H HN 0.242 nan 8.280 nan 0.000 0.528 465 E N 0.281 120.479 120.200 -0.003 0.000 2.273 465 E HA -0.254 4.020 4.350 -0.127 0.000 0.198 465 E C 2.288 178.820 176.600 -0.114 0.000 1.002 465 E CA 1.489 57.856 56.400 -0.055 0.000 0.828 465 E CB -0.041 29.653 29.700 -0.011 0.000 0.747 465 E HN 0.635 nan 8.360 nan 0.000 0.491 466 K N 0.175 120.511 120.400 -0.107 0.000 2.002 466 K HA -0.079 4.165 4.320 -0.127 0.000 0.209 466 K C 1.473 178.001 176.600 -0.121 0.000 1.048 466 K CA 1.748 57.981 56.287 -0.090 0.000 0.930 466 K CB -0.947 31.516 32.500 -0.061 0.000 0.714 466 K HN 0.289 nan 8.250 nan 0.000 0.438 467 T N 0.152 114.599 114.554 -0.178 0.000 3.226 467 T HA 0.370 4.644 4.350 -0.127 0.000 0.378 467 T C -3.122 171.374 174.700 -0.339 0.000 1.380 467 T CA -1.771 60.220 62.100 -0.181 0.000 1.396 467 T CB 1.317 70.119 68.868 -0.110 0.000 1.044 467 T HN 0.193 nan 8.240 nan 0.000 0.586 468 P HA 0.139 nan 4.420 nan 0.000 0.266 468 P C 0.941 178.139 177.300 -0.170 0.000 1.215 468 P CA -0.222 62.541 63.100 -0.560 0.000 0.763 468 P CB 1.185 32.762 31.700 -0.205 0.000 0.806 469 V N 0.553 120.493 119.914 0.043 0.000 3.539 469 V HA 0.236 4.280 4.120 -0.127 0.000 0.262 469 V C 0.753 176.962 176.094 0.192 0.000 1.381 469 V CA 0.380 62.756 62.300 0.127 0.000 1.060 469 V CB 0.198 32.081 31.823 0.100 0.000 0.842 469 V HN 0.519 nan 8.190 nan 0.000 0.445 470 S N 1.348 117.247 115.700 0.330 0.000 2.640 470 S HA 0.366 4.760 4.470 -0.127 0.000 0.320 470 S C 0.311 174.955 174.600 0.074 0.000 1.097 470 S CA -0.271 58.004 58.200 0.125 0.000 1.092 470 S CB 1.175 64.393 63.200 0.030 0.000 0.988 470 S HN 0.433 nan 8.310 nan 0.000 0.470 471 D N 3.950 124.384 120.400 0.056 0.000 2.263 471 D HA -0.093 4.471 4.640 -0.127 0.000 0.208 471 D C 1.743 178.026 176.300 -0.029 0.000 0.971 471 D CA 0.999 55.016 54.000 0.029 0.000 0.867 471 D CB 0.013 40.824 40.800 0.017 0.000 0.929 471 D HN 0.580 nan 8.370 nan 0.000 0.492 472 R N 0.322 120.790 120.500 -0.054 0.000 2.148 472 R HA 0.025 4.289 4.340 -0.127 0.000 0.223 472 R C 1.974 178.172 176.300 -0.169 0.000 1.088 472 R CA 0.445 56.480 56.100 -0.107 0.000 0.985 472 R CB -0.189 30.056 30.300 -0.092 0.000 0.880 472 R HN 0.149 nan 8.270 nan 0.000 0.451 473 V N 0.452 120.271 119.914 -0.160 0.000 2.346 473 V HA -0.175 3.869 4.120 -0.127 0.000 0.244 473 V C 2.081 178.092 176.094 -0.139 0.000 1.037 473 V CA 1.985 64.183 62.300 -0.171 0.000 1.029 473 V CB -0.372 31.131 31.823 -0.532 0.000 0.663 473 V HN 0.329 nan 8.190 nan 0.000 0.454 474 T N -0.071 114.423 114.554 -0.098 0.000 2.684 474 T HA -0.284 3.989 4.350 -0.127 0.000 0.267 474 T C 1.945 176.636 174.700 -0.015 0.000 1.036 474 T CA 2.075 64.191 62.100 0.026 0.000 1.148 474 T CB -0.225 68.693 68.868 0.084 0.000 0.863 474 T HN 0.431 nan 8.240 nan 0.000 0.436 475 K N 0.218 120.582 120.400 -0.060 0.000 1.985 475 K HA -0.124 4.120 4.320 -0.127 0.000 0.210 475 K C 2.554 179.085 176.600 -0.116 0.000 1.047 475 K CA 1.621 57.862 56.287 -0.077 0.000 0.932 475 K CB -0.549 31.893 32.500 -0.096 0.000 0.716 475 K HN 0.318 nan 8.250 nan 0.000 0.439 476 c N 0.618 119.070 118.600 -0.246 0.000 2.413 476 c HA -0.135 4.359 4.570 -0.127 0.000 0.277 476 c C 2.992 177.000 174.090 -0.137 0.000 1.265 476 c CA 0.595 56.696 56.329 -0.380 0.000 1.752 476 c CB -0.960 40.900 42.510 -1.083 0.000 1.998 476 c HN 0.670 nan 8.230 nan 0.000 0.489 477 c N 0.455 119.052 118.600 -0.006 0.000 2.489 477 c HA -0.075 4.419 4.570 -0.127 0.000 0.279 477 c C 2.970 177.167 174.090 0.179 0.000 1.266 477 c CA 1.958 58.373 56.329 0.143 0.000 1.707 477 c CB -1.467 41.134 42.510 0.152 0.000 2.059 477 c HN 0.810 nan 8.230 nan 0.000 0.481 478 T N -1.620 112.999 114.554 0.109 0.000 3.014 478 T HA -0.038 4.236 4.350 -0.127 0.000 0.263 478 T C 1.478 176.272 174.700 0.156 0.000 1.078 478 T CA 0.973 63.140 62.100 0.111 0.000 1.135 478 T CB -0.360 68.518 68.868 0.016 0.000 0.895 478 T HN 0.587 nan 8.240 nan 0.000 0.480 479 E N 1.321 121.575 120.200 0.090 0.000 2.023 479 E HA -0.049 4.225 4.350 -0.127 0.000 0.196 479 E C 0.689 177.358 176.600 0.115 0.000 1.003 479 E CA 1.184 57.625 56.400 0.069 0.000 0.809 479 E CB 0.016 29.715 29.700 -0.001 0.000 0.755 479 E HN 0.486 nan 8.360 nan 0.000 0.449 480 S N -1.136 114.614 115.700 0.083 0.000 2.603 480 S HA 0.149 4.543 4.470 -0.127 0.000 0.274 480 S C 0.092 174.609 174.600 -0.137 0.000 1.168 480 S CA -0.725 57.477 58.200 0.002 0.000 0.963 480 S CB 1.483 64.663 63.200 -0.033 0.000 1.078 480 S HN 0.156 nan 8.310 nan 0.000 0.477 481 L N 5.964 126.895 121.223 -0.487 0.000 2.046 481 L HA 0.074 4.338 4.340 -0.127 0.000 0.208 481 L C 1.979 178.667 176.870 -0.303 0.000 1.077 481 L CA 2.208 56.653 54.840 -0.657 0.000 0.747 481 L CB -0.533 40.767 42.059 -1.265 0.000 0.896 481 L HN 0.705 nan 8.230 nan 0.000 0.432 482 V N -0.800 118.972 119.914 -0.236 0.000 2.809 482 V HA -0.154 3.890 4.120 -0.127 0.000 0.256 482 V C 1.431 177.467 176.094 -0.097 0.000 1.080 482 V CA 1.708 63.924 62.300 -0.141 0.000 1.102 482 V CB -1.036 30.715 31.823 -0.120 0.000 0.705 482 V HN 0.529 nan 8.190 nan 0.000 0.475 483 N N -0.632 118.017 118.700 -0.086 0.000 2.238 483 N HA 0.174 4.838 4.740 -0.127 0.000 0.222 483 N C 1.617 177.109 175.510 -0.030 0.000 1.133 483 N CA -0.291 52.724 53.050 -0.057 0.000 0.854 483 N CB 0.208 38.660 38.487 -0.059 0.000 1.041 483 N HN 0.317 nan 8.380 nan 0.000 0.510 484 R N 0.828 121.328 120.500 -0.001 0.000 2.080 484 R HA -0.037 4.227 4.340 -0.127 0.000 0.236 484 R C 2.245 178.674 176.300 0.215 0.000 1.137 484 R CA 1.310 57.471 56.100 0.101 0.000 0.943 484 R CB -0.019 30.365 30.300 0.140 0.000 0.846 484 R HN 0.147 nan 8.270 nan 0.000 0.431 485 R N 0.269 120.853 120.500 0.139 0.000 2.082 485 R HA -0.094 4.170 4.340 -0.127 0.000 0.234 485 R C -0.826 175.547 176.300 0.120 0.000 1.136 485 R CA 1.833 58.021 56.100 0.147 0.000 0.935 485 R CB -1.403 28.930 30.300 0.055 0.000 0.842 485 R HN 0.164 nan 8.270 nan 0.000 0.430 486 P HA -0.144 nan 4.420 nan 0.000 0.216 486 P C 1.673 178.966 177.300 -0.012 0.000 1.150 486 P CA 1.077 64.180 63.100 0.005 0.000 0.843 486 P CB -0.300 31.384 31.700 -0.027 0.000 0.787 487 c N -2.048 116.524 118.600 -0.047 0.000 2.413 487 c HA -0.159 4.335 4.570 -0.127 0.000 0.276 487 c C 2.397 176.359 174.090 -0.213 0.000 1.248 487 c CA 0.829 57.059 56.329 -0.164 0.000 1.742 487 c CB -2.134 40.213 42.510 -0.272 0.000 2.017 487 c HN 0.070 nan 8.230 nan 0.000 0.481 488 F N 0.926 120.851 119.950 -0.041 0.000 2.293 488 F HA -0.008 4.447 4.527 -0.121 0.000 0.297 488 F C 2.738 178.478 175.800 -0.101 0.000 1.089 488 F CA 1.634 59.599 58.000 -0.057 0.000 1.377 488 F CB -0.636 38.378 39.000 0.024 0.000 1.051 488 F HN 0.098 nan 8.300 nan 0.000 0.511 489 S N -0.115 115.653 115.700 0.113 0.000 2.382 489 S HA -0.156 4.238 4.470 -0.127 0.000 0.228 489 S C 2.348 176.933 174.600 -0.024 0.000 1.027 489 S CA 0.978 59.198 58.200 0.034 0.000 0.991 489 S CB -0.560 62.666 63.200 0.043 0.000 0.823 489 S HN 0.355 nan 8.310 nan 0.000 0.469 490 A N 1.330 124.128 122.820 -0.037 0.000 1.930 490 A HA 0.120 4.364 4.320 -0.127 0.000 0.217 490 A C 0.944 178.483 177.584 -0.076 0.000 1.175 490 A CA 0.629 52.632 52.037 -0.058 0.000 0.627 490 A CB -0.609 18.350 19.000 -0.069 0.000 0.815 490 A HN 0.428 nan 8.150 nan 0.000 0.443 491 L N -0.353 120.812 121.223 -0.097 0.000 2.506 491 L HA 0.069 4.333 4.340 -0.127 0.000 0.281 491 L C 1.301 178.107 176.870 -0.107 0.000 1.228 491 L CA -0.071 54.705 54.840 -0.107 0.000 0.850 491 L CB 0.338 42.328 42.059 -0.116 0.000 1.110 491 L HN 0.452 nan 8.230 nan 0.000 0.496 492 E N 2.014 122.159 120.200 -0.092 0.000 2.831 492 E HA 0.252 4.526 4.350 -0.127 0.000 0.254 492 E C -0.896 175.653 176.600 -0.085 0.000 1.015 492 E CA 0.060 56.410 56.400 -0.084 0.000 1.016 492 E CB 0.709 30.375 29.700 -0.057 0.000 2.665 492 E HN 0.291 nan 8.360 nan 0.000 0.583 493 V N 0.777 120.657 119.914 -0.058 0.000 2.686 493 V HA 0.476 4.520 4.120 -0.127 0.000 0.306 493 V C -1.233 174.846 176.094 -0.025 0.000 1.065 493 V CA -0.906 61.367 62.300 -0.046 0.000 0.894 493 V CB 1.780 33.586 31.823 -0.028 0.000 1.004 493 V HN 0.360 nan 8.190 nan 0.000 0.424 494 D N 4.011 124.400 120.400 -0.018 0.000 2.349 494 D HA 0.106 4.670 4.640 -0.127 0.000 0.266 494 D C 0.990 177.323 176.300 0.055 0.000 1.293 494 D CA 0.435 54.444 54.000 0.014 0.000 0.926 494 D CB 1.238 42.051 40.800 0.022 0.000 1.090 494 D HN 0.815 nan 8.370 nan 0.000 0.502 495 E N 1.175 121.395 120.200 0.032 0.000 2.482 495 E HA -0.075 4.199 4.350 -0.127 0.000 0.196 495 E C 1.488 178.111 176.600 0.039 0.000 1.047 495 E CA 0.558 56.978 56.400 0.033 0.000 0.869 495 E CB 0.278 29.984 29.700 0.011 0.000 0.836 495 E HN 0.513 nan 8.360 nan 0.000 0.520 496 T N -2.359 112.228 114.554 0.055 0.000 3.040 496 T HA -0.018 4.256 4.350 -0.127 0.000 0.250 496 T C 0.315 175.059 174.700 0.074 0.000 1.058 496 T CA -0.521 61.606 62.100 0.046 0.000 0.988 496 T CB -0.248 68.641 68.868 0.035 0.000 0.993 496 T HN 0.099 nan 8.240 nan 0.000 0.519 497 Y N 2.615 122.908 120.300 -0.012 0.000 2.465 497 Y HA 0.445 4.920 4.550 -0.124 0.000 0.331 497 Y C -0.071 175.823 175.900 -0.010 0.000 1.102 497 Y CA -1.517 56.577 58.100 -0.010 0.000 1.358 497 Y CB 0.826 39.280 38.460 -0.010 0.000 1.213 497 Y HN 0.050 nan 8.280 nan 0.000 0.525 498 V N 10.168 129.673 119.914 -0.681 0.000 2.334 498 V HA 0.417 4.461 4.120 -0.127 0.000 0.267 498 V C -2.286 173.226 176.094 -0.969 0.000 1.040 498 V CA -2.397 59.543 62.300 -0.600 0.000 0.866 498 V CB -0.070 31.574 31.823 -0.299 0.000 1.019 498 V HN 0.815 nan 8.190 nan 0.000 0.468 499 P HA -0.030 nan 4.420 nan 0.000 0.269 499 P C -0.209 176.951 177.300 -0.233 0.000 1.185 499 P CA 0.560 63.403 63.100 -0.429 0.000 0.769 499 P CB 0.367 31.983 31.700 -0.140 0.000 0.809 500 K N 1.600 121.978 120.400 -0.037 0.000 2.155 500 K HA 0.253 4.497 4.320 -0.127 0.000 0.237 500 K C 0.028 176.618 176.600 -0.015 0.000 1.040 500 K CA -0.318 55.963 56.287 -0.010 0.000 0.912 500 K CB 0.475 32.997 32.500 0.037 0.000 1.137 500 K HN 0.461 nan 8.250 nan 0.000 0.498 501 E N 0.859 121.050 120.200 -0.016 0.000 2.199 501 E HA 0.126 4.400 4.350 -0.127 0.000 0.265 501 E C -1.143 175.463 176.600 0.009 0.000 0.882 501 E CA -0.613 55.796 56.400 0.014 0.000 0.759 501 E CB 0.989 30.695 29.700 0.010 0.000 1.148 501 E HN 0.301 nan 8.360 nan 0.000 0.412 502 F N 3.401 123.299 119.950 -0.086 0.000 2.548 502 F HA -0.112 4.339 4.527 -0.126 0.000 0.403 502 F C 0.172 175.924 175.800 -0.080 0.000 1.004 502 F CA 0.978 58.899 58.000 -0.132 0.000 1.177 502 F CB 0.077 39.018 39.000 -0.099 0.000 0.974 502 F HN 0.463 nan 8.300 nan 0.000 0.541 503 N N 3.039 121.202 118.700 -0.894 0.000 2.725 503 N HA 0.668 5.332 4.740 -0.127 0.000 0.312 503 N C 0.203 175.356 175.510 -0.596 0.000 1.295 503 N CA -0.331 52.416 53.050 -0.505 0.000 0.914 503 N CB 1.458 39.786 38.487 -0.265 0.000 1.177 503 N HN 0.654 nan 8.380 nan 0.000 0.601 504 A N -0.133 122.623 122.820 -0.107 0.000 1.970 504 A HA 0.121 4.365 4.320 -0.127 0.000 0.204 504 A C 1.255 178.925 177.584 0.144 0.000 1.325 504 A CA 0.389 52.504 52.037 0.130 0.000 0.767 504 A CB -0.031 19.059 19.000 0.151 0.000 0.949 504 A HN 0.601 nan 8.150 nan 0.000 0.481 505 E N 0.266 120.495 120.200 0.049 0.000 2.435 505 E HA -0.020 4.254 4.350 -0.127 0.000 0.195 505 E C 1.526 178.131 176.600 0.008 0.000 1.029 505 E CA 0.794 57.214 56.400 0.032 0.000 0.865 505 E CB -0.746 28.961 29.700 0.012 0.000 0.833 505 E HN 0.443 nan 8.360 nan 0.000 0.510 506 T N 1.217 115.740 114.554 -0.051 0.000 2.803 506 T HA -0.108 4.166 4.350 -0.127 0.000 0.269 506 T C 0.134 174.833 174.700 -0.003 0.000 1.052 506 T CA 1.002 63.020 62.100 -0.137 0.000 1.136 506 T CB -0.143 68.477 68.868 -0.414 0.000 0.864 506 T HN 0.204 nan 8.240 nan 0.000 0.467 507 F N 0.268 120.062 119.950 -0.261 0.000 3.055 507 F HA 0.526 4.976 4.527 -0.128 0.000 0.358 507 F C -0.893 174.559 175.800 -0.580 0.000 1.262 507 F CA -2.141 55.640 58.000 -0.366 0.000 1.172 507 F CB -0.353 38.424 39.000 -0.371 0.000 1.503 507 F HN -0.378 nan 8.300 nan 0.000 0.621 508 T N 2.850 117.130 114.554 -0.456 0.000 2.816 508 T HA 0.506 4.780 4.350 -0.127 0.000 0.282 508 T C 0.246 174.437 174.700 -0.848 0.000 0.993 508 T CA 0.313 62.162 62.100 -0.418 0.000 0.994 508 T CB 1.000 69.792 68.868 -0.126 0.000 1.025 508 T HN 0.499 nan 8.240 nan 0.000 0.529 509 F N -1.981 117.928 119.950 -0.067 0.000 2.876 509 F HA 0.231 4.683 4.527 -0.125 0.000 0.344 509 F C 1.772 177.568 175.800 -0.007 0.000 1.029 509 F CA -0.407 57.612 58.000 0.032 0.000 1.154 509 F CB -1.104 37.975 39.000 0.132 0.000 1.040 509 F HN 0.782 nan 8.300 nan 0.000 0.576 510 H N 1.096 120.231 119.070 0.108 0.000 3.184 510 H HA 0.255 4.735 4.556 -0.127 0.000 0.283 510 H C 1.694 176.813 175.328 -0.348 0.000 0.894 510 H CA 0.091 56.086 56.048 -0.087 0.000 1.391 510 H CB -0.338 29.398 29.762 -0.044 0.000 1.269 510 H HN 0.484 nan 8.280 nan 0.000 0.555 511 A N 2.705 125.117 122.820 -0.680 0.000 2.110 511 A HA -0.274 3.970 4.320 -0.127 0.000 0.226 511 A C 2.542 179.850 177.584 -0.460 0.000 1.218 511 A CA 3.179 54.668 52.037 -0.912 0.000 0.689 511 A CB -1.939 16.785 19.000 -0.459 0.000 0.824 511 A HN 1.876 nan 8.150 nan 0.000 0.496 512 D N -1.549 118.697 120.400 -0.256 0.000 2.401 512 D HA 0.040 4.604 4.640 -0.127 0.000 0.217 512 D C 1.760 178.002 176.300 -0.097 0.000 0.978 512 D CA 2.573 56.495 54.000 -0.131 0.000 0.951 512 D CB -1.239 39.511 40.800 -0.084 0.000 0.879 512 D HN 1.324 nan 8.370 nan 0.000 0.497 513 I N -0.873 119.621 120.570 -0.127 0.000 2.617 513 I HA 0.080 4.174 4.170 -0.127 0.000 0.256 513 I C 2.698 178.832 176.117 0.029 0.000 1.167 513 I CA 1.242 62.537 61.300 -0.007 0.000 1.469 513 I CB -1.119 36.941 38.000 0.099 0.000 1.098 513 I HN 0.613 nan 8.210 nan 0.000 0.436 514 c N -0.076 118.529 118.600 0.007 0.000 2.491 514 c HA 0.029 4.522 4.570 -0.127 0.000 0.277 514 c C 2.818 176.916 174.090 0.013 0.000 1.455 514 c CA 1.593 57.945 56.329 0.038 0.000 1.758 514 c CB -1.757 40.782 42.510 0.048 0.000 1.745 514 c HN 0.761 nan 8.230 nan 0.000 0.558 515 T N -0.057 114.497 114.554 -0.000 0.000 3.023 515 T HA 0.284 4.558 4.350 -0.127 0.000 0.249 515 T C 0.870 175.575 174.700 0.008 0.000 1.050 515 T CA 0.790 62.890 62.100 0.001 0.000 1.088 515 T CB -0.240 68.624 68.868 -0.007 0.000 0.946 515 T HN 0.380 nan 8.240 nan 0.000 0.480 516 L N 2.855 124.086 121.223 0.012 0.000 2.483 516 L HA 0.665 4.929 4.340 -0.127 0.000 0.275 516 L C 1.054 177.935 176.870 0.018 0.000 1.220 516 L CA -0.028 54.823 54.840 0.018 0.000 0.833 516 L CB -0.779 41.295 42.059 0.026 0.000 1.102 516 L HN 0.615 nan 8.230 nan 0.000 0.490 517 S N 0.177 115.888 115.700 0.019 0.000 2.580 517 S HA 0.066 4.459 4.470 -0.127 0.000 0.261 517 S C 1.054 175.661 174.600 0.013 0.000 1.366 517 S CA 0.677 58.886 58.200 0.016 0.000 0.996 517 S CB 0.473 63.685 63.200 0.019 0.000 0.902 517 S HN 0.996 nan 8.310 nan 0.000 0.566 518 E N 1.580 121.783 120.200 0.004 0.000 2.038 518 E HA -0.121 4.153 4.350 -0.127 0.000 0.195 518 E C 2.507 179.103 176.600 -0.006 0.000 1.000 518 E CA 2.417 58.812 56.400 -0.009 0.000 0.803 518 E CB -1.185 28.502 29.700 -0.022 0.000 0.750 518 E HN 0.803 nan 8.360 nan 0.000 0.448 519 K N 0.394 120.798 120.400 0.006 0.000 2.034 519 K HA -0.208 4.036 4.320 -0.127 0.000 0.214 519 K C 2.301 178.926 176.600 0.040 0.000 1.051 519 K CA 2.723 59.023 56.287 0.023 0.000 0.931 519 K CB -1.937 30.584 32.500 0.035 0.000 0.715 519 K HN 0.487 nan 8.250 nan 0.000 0.446 520 E N 1.029 121.254 120.200 0.041 0.000 2.510 520 E HA -0.143 4.131 4.350 -0.127 0.000 0.202 520 E C 2.093 178.731 176.600 0.063 0.000 1.072 520 E CA 1.362 57.793 56.400 0.051 0.000 0.883 520 E CB -0.561 29.165 29.700 0.042 0.000 0.818 520 E HN 0.773 nan 8.360 nan 0.000 0.548 521 R N -1.207 119.326 120.500 0.055 0.000 2.103 521 R HA 0.112 4.376 4.340 -0.127 0.000 0.212 521 R C 2.704 179.062 176.300 0.096 0.000 1.107 521 R CA 0.733 56.873 56.100 0.067 0.000 1.025 521 R CB 0.047 30.364 30.300 0.029 0.000 0.929 521 R HN 0.389 nan 8.270 nan 0.000 0.456 522 Q N 0.776 120.613 119.800 0.062 0.000 2.112 522 Q HA -0.174 4.090 4.340 -0.127 0.000 0.206 522 Q C 2.080 178.217 176.000 0.227 0.000 0.987 522 Q CA 1.545 57.421 55.803 0.122 0.000 0.858 522 Q CB -0.162 28.596 28.738 0.033 0.000 0.905 522 Q HN 0.359 nan 8.270 nan 0.000 0.420 523 I N 0.800 121.464 120.570 0.158 0.000 2.226 523 I HA -0.291 3.803 4.170 -0.127 0.000 0.245 523 I C 2.752 178.957 176.117 0.146 0.000 1.100 523 I CA 1.680 63.064 61.300 0.140 0.000 1.374 523 I CB -0.469 37.590 38.000 0.098 0.000 1.057 523 I HN 0.184 nan 8.210 nan 0.000 0.413 524 K N 0.840 121.334 120.400 0.157 0.000 2.288 524 K HA -0.107 4.137 4.320 -0.127 0.000 0.201 524 K C 2.000 178.771 176.600 0.285 0.000 1.048 524 K CA 1.066 57.465 56.287 0.188 0.000 0.956 524 K CB -0.507 32.107 32.500 0.190 0.000 0.746 524 K HN 0.323 nan 8.250 nan 0.000 0.461 525 K N -0.242 120.342 120.400 0.307 0.000 2.076 525 K HA -0.058 4.186 4.320 -0.127 0.000 0.204 525 K C 2.497 179.261 176.600 0.272 0.000 1.051 525 K CA 1.303 57.829 56.287 0.398 0.000 0.949 525 K CB 0.107 32.840 32.500 0.389 0.000 0.726 525 K HN 0.523 nan 8.250 nan 0.000 0.443 526 Q N -0.360 119.570 119.800 0.218 0.000 2.123 526 Q HA -0.077 4.187 4.340 -0.127 0.000 0.199 526 Q C 1.782 177.833 176.000 0.084 0.000 0.966 526 Q CA 1.560 57.440 55.803 0.127 0.000 0.845 526 Q CB 0.136 28.942 28.738 0.114 0.000 0.907 526 Q HN 0.209 nan 8.270 nan 0.000 0.439 527 T N 0.456 115.067 114.554 0.095 0.000 2.929 527 T HA -0.114 4.160 4.350 -0.127 0.000 0.271 527 T C 1.690 176.421 174.700 0.052 0.000 1.085 527 T CA 1.003 63.140 62.100 0.062 0.000 1.125 527 T CB -0.109 68.798 68.868 0.065 0.000 0.874 527 T HN 0.362 nan 8.240 nan 0.000 0.494 528 A N 1.234 124.097 122.820 0.073 0.000 1.874 528 A HA 0.124 4.368 4.320 -0.127 0.000 0.214 528 A C 2.154 179.739 177.584 0.002 0.000 1.189 528 A CA 0.782 52.834 52.037 0.025 0.000 0.615 528 A CB -0.768 18.195 19.000 -0.062 0.000 0.830 528 A HN 0.386 nan 8.150 nan 0.000 0.443 529 L N 0.160 121.397 121.223 0.023 0.000 2.043 529 L HA -0.147 4.117 4.340 -0.127 0.000 0.212 529 L C 2.383 179.248 176.870 -0.007 0.000 1.075 529 L CA 1.921 56.765 54.840 0.008 0.000 0.752 529 L CB -0.566 41.501 42.059 0.012 0.000 0.891 529 L HN 0.162 nan 8.230 nan 0.000 0.432 530 V N -0.505 119.406 119.914 -0.006 0.000 2.295 530 V HA -0.238 3.806 4.120 -0.127 0.000 0.246 530 V C 2.665 178.742 176.094 -0.028 0.000 1.049 530 V CA 1.783 64.072 62.300 -0.018 0.000 1.024 530 V CB -0.604 31.209 31.823 -0.016 0.000 0.648 530 V HN 0.442 nan 8.190 nan 0.000 0.447 531 E N -0.154 120.028 120.200 -0.030 0.000 2.118 531 E HA -0.182 4.092 4.350 -0.127 0.000 0.195 531 E C 2.200 178.766 176.600 -0.057 0.000 0.992 531 E CA 1.095 57.460 56.400 -0.058 0.000 0.804 531 E CB -0.320 29.327 29.700 -0.088 0.000 0.741 531 E HN 0.475 nan 8.360 nan 0.000 0.458 532 L N 0.166 121.365 121.223 -0.040 0.000 1.961 532 L HA -0.186 4.078 4.340 -0.127 0.000 0.210 532 L C 2.443 179.310 176.870 -0.007 0.000 1.072 532 L CA 1.162 55.988 54.840 -0.024 0.000 0.749 532 L CB -0.547 41.502 42.059 -0.017 0.000 0.889 532 L HN 0.027 nan 8.230 nan 0.000 0.432 533 V N -0.123 119.786 119.914 -0.009 0.000 2.660 533 V HA -0.304 3.740 4.120 -0.127 0.000 0.257 533 V C 2.372 178.473 176.094 0.013 0.000 1.088 533 V CA 1.587 63.885 62.300 -0.003 0.000 1.106 533 V CB -0.703 31.108 31.823 -0.021 0.000 0.686 533 V HN 0.435 nan 8.190 nan 0.000 0.481 534 K N -0.792 119.614 120.400 0.011 0.000 2.167 534 K HA -0.058 4.186 4.320 -0.127 0.000 0.203 534 K C 2.216 178.920 176.600 0.174 0.000 1.052 534 K CA 1.302 57.627 56.287 0.063 0.000 0.956 534 K CB -0.270 32.243 32.500 0.021 0.000 0.735 534 K HN 0.786 nan 8.250 nan 0.000 0.451 535 H N 0.686 119.802 119.070 0.078 0.000 2.497 535 H HA 0.168 4.647 4.556 -0.127 0.000 0.282 535 H C 1.194 176.557 175.328 0.057 0.000 1.003 535 H CA 1.253 57.337 56.048 0.060 0.000 1.307 535 H CB -0.039 29.736 29.762 0.023 0.000 1.437 535 H HN 0.190 nan 8.280 nan 0.000 0.544 536 K N 0.992 121.426 120.400 0.057 0.000 3.098 536 K HA 0.477 4.721 4.320 -0.127 0.000 0.170 536 K C -2.442 174.187 176.600 0.049 0.000 1.106 536 K CA -0.670 55.642 56.287 0.043 0.000 0.864 536 K CB 0.256 32.768 32.500 0.020 0.000 1.047 536 K HN 0.349 nan 8.250 nan 0.000 0.609 537 P HA -0.229 nan 4.420 nan 0.000 0.211 537 P C 2.072 179.395 177.300 0.039 0.000 1.179 537 P CA 2.622 65.764 63.100 0.070 0.000 0.910 537 P CB 0.258 32.041 31.700 0.139 0.000 0.785 538 K N 0.555 120.979 120.400 0.040 0.000 1.975 538 K HA 0.039 4.283 4.320 -0.127 0.000 0.224 538 K C 1.642 178.250 176.600 0.013 0.000 1.038 538 K CA 1.523 57.823 56.287 0.022 0.000 1.009 538 K CB -1.972 30.538 32.500 0.018 0.000 0.750 538 K HN 0.286 nan 8.250 nan 0.000 0.445 539 A N 1.619 124.445 122.820 0.011 0.000 2.625 539 A HA 0.378 4.622 4.320 -0.127 0.000 0.289 539 A C -0.051 177.537 177.584 0.007 0.000 1.411 539 A CA 1.263 53.303 52.037 0.006 0.000 1.035 539 A CB -1.323 17.680 19.000 0.004 0.000 0.992 539 A HN 0.597 nan 8.150 nan 0.000 0.580 540 T N 0.644 115.202 114.554 0.006 0.000 3.933 540 T HA 0.610 4.884 4.350 -0.127 0.000 0.379 540 T C 0.419 175.121 174.700 0.003 0.000 1.232 540 T CA 0.141 62.244 62.100 0.005 0.000 1.122 540 T CB 1.272 70.143 68.868 0.005 0.000 1.239 540 T HN 1.105 nan 8.240 nan 0.000 0.475 541 K N 2.263 122.665 120.400 0.004 0.000 3.001 541 K HA 0.521 4.765 4.320 -0.127 0.000 0.241 541 K C 1.006 177.610 176.600 0.006 0.000 2.102 541 K CA 0.204 56.494 56.287 0.004 0.000 1.314 541 K CB -0.299 32.204 32.500 0.005 0.000 2.395 541 K HN 0.476 nan 8.250 nan 0.000 0.470 542 E N 0.561 120.766 120.200 0.009 0.000 2.441 542 E HA 0.022 4.296 4.350 -0.127 0.000 0.212 542 E C 2.030 178.639 176.600 0.015 0.000 0.840 542 E CA 0.413 56.820 56.400 0.012 0.000 1.143 542 E CB 0.942 30.650 29.700 0.013 0.000 1.153 542 E HN 0.533 nan 8.360 nan 0.000 0.539 543 Q N 1.565 121.372 119.800 0.012 0.000 2.062 543 Q HA -0.243 4.021 4.340 -0.127 0.000 0.209 543 Q C 2.002 178.012 176.000 0.018 0.000 0.996 543 Q CA 1.448 57.259 55.803 0.014 0.000 0.859 543 Q CB -0.941 27.802 28.738 0.009 0.000 0.920 543 Q HN 0.311 nan 8.270 nan 0.000 0.415 544 L N 1.387 122.619 121.223 0.014 0.000 2.026 544 L HA -0.376 3.888 4.340 -0.127 0.000 0.231 544 L C 3.132 180.017 176.870 0.026 0.000 1.095 544 L CA 3.255 58.104 54.840 0.015 0.000 0.810 544 L CB -1.531 40.532 42.059 0.007 0.000 0.909 544 L HN 0.532 nan 8.230 nan 0.000 0.444 545 K N -0.058 120.357 120.400 0.025 0.000 1.980 545 K HA -0.242 4.002 4.320 -0.127 0.000 0.223 545 K C 2.201 178.831 176.600 0.050 0.000 1.052 545 K CA 2.228 58.536 56.287 0.036 0.000 0.974 545 K CB -1.726 30.792 32.500 0.029 0.000 0.734 545 K HN 0.489 nan 8.250 nan 0.000 0.447 546 A N 0.251 123.096 122.820 0.042 0.000 2.009 546 A HA -0.090 4.154 4.320 -0.127 0.000 0.222 546 A C 2.596 180.215 177.584 0.060 0.000 1.175 546 A CA 2.316 54.381 52.037 0.047 0.000 0.651 546 A CB -0.786 18.234 19.000 0.034 0.000 0.815 546 A HN 0.483 nan 8.150 nan 0.000 0.459 547 V N -0.723 119.225 119.914 0.057 0.000 2.323 547 V HA -0.224 3.819 4.120 -0.127 0.000 0.244 547 V C 2.579 178.740 176.094 0.112 0.000 1.041 547 V CA 1.793 64.133 62.300 0.067 0.000 1.025 547 V CB -0.567 31.280 31.823 0.040 0.000 0.656 547 V HN 0.505 nan 8.190 nan 0.000 0.451 548 M N -0.031 119.636 119.600 0.113 0.000 2.202 548 M HA -0.176 4.228 4.480 -0.127 0.000 0.262 548 M C 1.874 178.290 176.300 0.192 0.000 1.063 548 M CA 1.556 56.959 55.300 0.170 0.000 1.097 548 M CB -1.368 31.315 32.600 0.138 0.000 1.382 548 M HN 0.371 nan 8.290 nan 0.000 0.413 549 D N 0.251 120.734 120.400 0.139 0.000 2.144 549 D HA -0.148 4.416 4.640 -0.127 0.000 0.199 549 D C 1.713 178.093 176.300 0.133 0.000 0.984 549 D CA 1.037 55.110 54.000 0.122 0.000 0.834 549 D CB -0.259 40.593 40.800 0.087 0.000 0.955 549 D HN 0.309 nan 8.370 nan 0.000 0.465 550 D N -0.427 120.060 120.400 0.146 0.000 2.084 550 D HA -0.121 4.442 4.640 -0.127 0.000 0.196 550 D C 1.824 178.274 176.300 0.250 0.000 0.985 550 D CA 0.341 54.438 54.000 0.161 0.000 0.826 550 D CB -0.312 40.569 40.800 0.135 0.000 0.978 550 D HN 0.051 nan 8.370 nan 0.000 0.456 551 F N 1.785 121.790 119.950 0.092 0.000 2.154 551 F HA -0.179 4.271 4.527 -0.128 0.000 0.301 551 F C 2.168 178.071 175.800 0.171 0.000 1.087 551 F CA 1.176 59.244 58.000 0.113 0.000 1.274 551 F CB -0.659 38.396 39.000 0.092 0.000 1.009 551 F HN -0.071 nan 8.300 nan 0.000 0.485 552 A N 0.060 122.979 122.820 0.166 0.000 1.908 552 A HA -0.092 4.152 4.320 -0.127 0.000 0.218 552 A C 2.488 180.082 177.584 0.016 0.000 1.181 552 A CA 2.024 54.089 52.037 0.047 0.000 0.627 552 A CB -1.508 17.542 19.000 0.084 0.000 0.818 552 A HN 0.430 nan 8.150 nan 0.000 0.445 553 A N -1.216 121.643 122.820 0.064 0.000 1.933 553 A HA -0.041 4.203 4.320 -0.127 0.000 0.218 553 A C 2.036 179.623 177.584 0.005 0.000 1.175 553 A CA 1.583 53.640 52.037 0.034 0.000 0.628 553 A CB -0.714 18.321 19.000 0.059 0.000 0.814 553 A HN 0.728 nan 8.150 nan 0.000 0.444 554 F N 1.096 120.977 119.950 -0.117 0.000 2.046 554 F HA -0.212 4.239 4.527 -0.127 0.000 0.297 554 F C 2.214 177.824 175.800 -0.317 0.000 1.123 554 F CA 2.375 60.252 58.000 -0.205 0.000 1.199 554 F CB -0.472 38.431 39.000 -0.162 0.000 0.972 554 F HN 0.058 nan 8.300 nan 0.000 0.474 555 V N 1.925 121.726 119.914 -0.188 0.000 2.220 555 V HA -0.364 3.680 4.120 -0.127 0.000 0.246 555 V C 2.471 178.444 176.094 -0.202 0.000 1.049 555 V CA 2.333 64.497 62.300 -0.227 0.000 1.003 555 V CB -1.574 30.169 31.823 -0.134 0.000 0.634 555 V HN 0.603 nan 8.190 nan 0.000 0.444 556 E N 1.948 122.069 120.200 -0.130 0.000 2.164 556 E HA -0.382 3.892 4.350 -0.127 0.000 0.206 556 E C 2.076 178.602 176.600 -0.124 0.000 1.032 556 E CA 2.364 58.707 56.400 -0.095 0.000 0.832 556 E CB -0.395 29.267 29.700 -0.064 0.000 0.742 556 E HN 0.749 nan 8.360 nan 0.000 0.460 557 K N 0.619 120.905 120.400 -0.190 0.000 1.995 557 K HA -0.100 4.144 4.320 -0.127 0.000 0.217 557 K C 2.206 178.656 176.600 -0.250 0.000 1.030 557 K CA 1.459 57.619 56.287 -0.211 0.000 0.971 557 K CB -0.798 31.556 32.500 -0.242 0.000 0.775 557 K HN 0.235 nan 8.250 nan 0.000 0.446 558 c N 1.120 119.454 118.600 -0.444 0.000 2.395 558 c HA -0.161 4.333 4.570 -0.127 0.000 0.287 558 c C 2.718 176.744 174.090 -0.107 0.000 1.281 558 c CA 0.747 56.851 56.329 -0.376 0.000 1.818 558 c CB -1.341 40.668 42.510 -0.834 0.000 1.990 558 c HN 0.651 nan 8.230 nan 0.000 0.516 559 c N -0.151 118.400 118.600 -0.081 0.000 2.539 559 c HA 0.117 4.610 4.570 -0.127 0.000 0.271 559 c C 2.282 176.366 174.090 -0.010 0.000 1.412 559 c CA 1.407 57.753 56.329 0.028 0.000 1.729 559 c CB -1.494 41.035 42.510 0.031 0.000 1.739 559 c HN 0.758 nan 8.230 nan 0.000 0.570 560 K N -0.702 119.671 120.400 -0.045 0.000 2.501 560 K HA 0.704 4.947 4.320 -0.127 0.000 0.204 560 K C 0.190 176.767 176.600 -0.040 0.000 1.067 560 K CA 0.655 56.919 56.287 -0.038 0.000 1.060 560 K CB -0.014 32.458 32.500 -0.045 0.000 0.873 560 K HN 0.398 nan 8.250 nan 0.000 0.540 561 A N 0.121 122.915 122.820 -0.043 0.000 2.312 561 A HA 0.576 4.820 4.320 -0.127 0.000 0.326 561 A C 0.857 178.433 177.584 -0.013 0.000 1.172 561 A CA 0.403 52.417 52.037 -0.038 0.000 0.821 561 A CB 0.460 19.423 19.000 -0.061 0.000 1.166 561 A HN 0.563 nan 8.150 nan 0.000 0.493 562 D N 1.555 121.948 120.400 -0.011 0.000 2.339 562 D HA 0.172 4.736 4.640 -0.127 0.000 0.217 562 D C 0.455 176.757 176.300 0.004 0.000 1.050 562 D CA 0.462 54.461 54.000 -0.002 0.000 0.856 562 D CB -0.322 40.475 40.800 -0.004 0.000 0.922 562 D HN 0.806 nan 8.370 nan 0.000 0.518 563 D N -0.063 120.340 120.400 0.005 0.000 2.369 563 D HA 0.344 4.908 4.640 -0.127 0.000 0.241 563 D C 0.749 177.061 176.300 0.020 0.000 1.271 563 D CA 0.247 54.254 54.000 0.012 0.000 0.942 563 D CB 0.407 41.215 40.800 0.013 0.000 1.129 563 D HN 0.417 nan 8.370 nan 0.000 0.476 564 K N -0.806 119.607 120.400 0.022 0.000 2.344 564 K HA 0.359 4.603 4.320 -0.127 0.000 0.260 564 K C 1.149 177.773 176.600 0.040 0.000 0.988 564 K CA 0.554 56.856 56.287 0.025 0.000 0.909 564 K CB -1.212 31.302 32.500 0.023 0.000 0.968 564 K HN 0.756 nan 8.250 nan 0.000 0.505 565 E N 0.957 121.180 120.200 0.039 0.000 2.902 565 E HA 0.033 4.307 4.350 -0.127 0.000 0.231 565 E C 1.259 177.920 176.600 0.102 0.000 1.422 565 E CA 0.967 57.407 56.400 0.067 0.000 1.418 565 E CB -1.524 28.176 29.700 0.001 0.000 1.323 565 E HN 0.636 nan 8.360 nan 0.000 0.428 566 T N -0.831 113.776 114.554 0.089 0.000 3.035 566 T HA -0.089 4.185 4.350 -0.127 0.000 0.259 566 T C 2.318 177.084 174.700 0.109 0.000 1.078 566 T CA 0.938 63.091 62.100 0.087 0.000 1.132 566 T CB -0.710 68.191 68.868 0.054 0.000 0.900 566 T HN 0.974 nan 8.240 nan 0.000 0.480 567 c N 1.317 119.978 118.600 0.101 0.000 2.396 567 c HA -0.134 4.360 4.570 -0.127 0.000 0.281 567 c C 2.145 176.323 174.090 0.146 0.000 1.208 567 c CA 0.424 56.793 56.329 0.066 0.000 1.754 567 c CB -1.938 40.559 42.510 -0.022 0.000 2.044 567 c HN 0.410 nan 8.230 nan 0.000 0.449 568 F N 2.250 122.233 119.950 0.054 0.000 2.158 568 F HA -0.238 4.213 4.527 -0.127 0.000 0.299 568 F C 2.683 178.554 175.800 0.118 0.000 1.060 568 F CA 2.353 60.475 58.000 0.203 0.000 1.284 568 F CB -0.528 38.591 39.000 0.199 0.000 1.035 568 F HN 0.448 nan 8.300 nan 0.000 0.496 569 A N -0.577 122.390 122.820 0.245 0.000 1.861 569 A HA 0.015 4.259 4.320 -0.127 0.000 0.212 569 A C 2.118 179.745 177.584 0.072 0.000 1.199 569 A CA 1.506 53.622 52.037 0.132 0.000 0.613 569 A CB -1.251 17.816 19.000 0.112 0.000 0.846 569 A HN 0.334 nan 8.150 nan 0.000 0.446 570 E N 0.430 120.672 120.200 0.070 0.000 2.046 570 E HA -0.158 4.116 4.350 -0.127 0.000 0.190 570 E C 1.711 178.331 176.600 0.032 0.000 0.982 570 E CA 1.324 57.749 56.400 0.042 0.000 0.800 570 E CB -0.828 28.895 29.700 0.037 0.000 0.756 570 E HN 0.798 nan 8.360 nan 0.000 0.449 571 E N -0.116 120.116 120.200 0.055 0.000 2.347 571 E HA 0.026 4.300 4.350 -0.127 0.000 0.196 571 E C 2.280 178.911 176.600 0.051 0.000 1.008 571 E CA 0.332 56.774 56.400 0.070 0.000 0.852 571 E CB 0.036 29.796 29.700 0.099 0.000 0.783 571 E HN 0.511 nan 8.360 nan 0.000 0.505 572 G N 1.485 110.281 108.800 -0.008 0.000 2.408 572 G HA2 -0.306 3.578 3.960 -0.127 0.000 0.217 572 G HA3 -0.306 3.578 3.960 -0.127 0.000 0.217 572 G C 1.780 176.512 174.900 -0.281 0.000 1.150 572 G CA 1.135 46.062 45.100 -0.288 0.000 0.776 572 G HN 0.341 nan 8.290 nan 0.000 0.542 573 K N 0.213 120.546 120.400 -0.112 0.000 2.365 573 K HA 0.352 4.596 4.320 -0.127 0.000 0.197 573 K C 2.463 179.031 176.600 -0.054 0.000 1.042 573 K CA 1.658 57.915 56.287 -0.051 0.000 0.987 573 K CB -0.777 31.724 32.500 0.002 0.000 0.779 573 K HN 0.592 nan 8.250 nan 0.000 0.484 574 K N 0.241 120.614 120.400 -0.045 0.000 2.031 574 K HA 0.356 4.600 4.320 -0.127 0.000 0.205 574 K C 2.744 179.318 176.600 -0.043 0.000 1.049 574 K CA 1.620 57.889 56.287 -0.029 0.000 0.939 574 K CB -1.611 30.889 32.500 0.000 0.000 0.717 574 K HN 0.756 nan 8.250 nan 0.000 0.438 575 L N 0.577 121.765 121.223 -0.058 0.000 2.083 575 L HA 0.041 4.305 4.340 -0.127 0.000 0.209 575 L C 2.843 179.663 176.870 -0.084 0.000 1.083 575 L CA 2.242 57.045 54.840 -0.061 0.000 0.752 575 L CB -1.398 40.596 42.059 -0.107 0.000 0.899 575 L HN 0.320 nan 8.230 nan 0.000 0.433 576 V N 0.232 120.080 119.914 -0.111 0.000 2.392 576 V HA -0.261 3.783 4.120 -0.127 0.000 0.249 576 V C 3.149 179.095 176.094 -0.247 0.000 1.059 576 V CA 1.829 64.009 62.300 -0.200 0.000 1.051 576 V CB -1.173 30.507 31.823 -0.239 0.000 0.658 576 V HN 0.800 nan 8.190 nan 0.000 0.455 577 A N -0.095 122.632 122.820 -0.155 0.000 1.898 577 A HA -0.042 4.202 4.320 -0.127 0.000 0.216 577 A C 2.431 179.957 177.584 -0.097 0.000 1.181 577 A CA 1.900 53.863 52.037 -0.123 0.000 0.620 577 A CB -0.705 18.250 19.000 -0.075 0.000 0.819 577 A HN 0.546 nan 8.150 nan 0.000 0.442 578 A N 0.500 123.277 122.820 -0.072 0.000 1.873 578 A HA -0.089 4.155 4.320 -0.127 0.000 0.215 578 A C 2.522 180.073 177.584 -0.054 0.000 1.186 578 A CA 2.412 54.421 52.037 -0.047 0.000 0.616 578 A CB -1.147 17.839 19.000 -0.023 0.000 0.823 578 A HN 0.906 nan 8.150 nan 0.000 0.442 579 S N -0.605 115.053 115.700 -0.069 0.000 2.359 579 S HA -0.268 4.126 4.470 -0.127 0.000 0.222 579 S C 2.294 176.847 174.600 -0.079 0.000 1.038 579 S CA 2.328 60.490 58.200 -0.064 0.000 1.051 579 S CB -1.391 61.769 63.200 -0.066 0.000 0.944 579 S HN 1.020 nan 8.310 nan 0.000 0.433 580 Q N 1.318 121.039 119.800 -0.132 0.000 2.197 580 Q HA 0.043 4.307 4.340 -0.127 0.000 0.207 580 Q C 2.496 178.453 176.000 -0.071 0.000 0.984 580 Q CA 2.375 58.107 55.803 -0.119 0.000 0.869 580 Q CB -1.667 26.970 28.738 -0.168 0.000 0.906 580 Q HN 1.019 nan 8.270 nan 0.000 0.426 581 A N 0.471 123.253 122.820 -0.062 0.000 1.902 581 A HA 0.400 4.644 4.320 -0.127 0.000 0.217 581 A C 1.887 179.454 177.584 -0.028 0.000 1.181 581 A CA 1.412 53.425 52.037 -0.040 0.000 0.623 581 A CB -0.783 18.197 19.000 -0.034 0.000 0.818 581 A HN 1.205 nan 8.150 nan 0.000 0.443 582 A N 0.000 122.804 122.820 -0.026 0.000 2.254 582 A HA 0.000 4.244 4.320 -0.127 0.000 0.244 582 A CA 0.000 52.028 52.037 -0.015 0.000 0.836 582 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486