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 2xw1_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVAXXXXXX XXXADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.693 174.600 0.155 0.000 1.055 5 S CA 0.000 58.264 58.200 0.107 0.000 1.107 5 S CB 0.000 63.246 63.200 0.077 0.000 0.593 6 E N 3.192 123.485 120.200 0.155 0.000 2.122 6 E HA 0.071 4.378 4.350 -0.072 0.000 0.190 6 E C 1.667 178.401 176.600 0.222 0.000 0.977 6 E CA 1.786 58.279 56.400 0.156 0.000 0.820 6 E CB -0.134 29.625 29.700 0.098 0.000 0.770 6 E HN 0.520 nan 8.360 nan 0.000 0.462 7 V N 1.004 121.070 119.914 0.253 0.000 2.343 7 V HA -0.248 3.829 4.120 -0.072 0.000 0.247 7 V C 2.382 178.674 176.094 0.331 0.000 1.051 7 V CA 1.825 64.336 62.300 0.351 0.000 1.036 7 V CB -1.015 31.014 31.823 0.343 0.000 0.654 7 V HN 0.414 nan 8.190 nan 0.000 0.451 8 A N -0.537 122.402 122.820 0.197 0.000 1.902 8 A HA -0.294 3.983 4.320 -0.072 0.000 0.217 8 A C 2.236 179.955 177.584 0.225 0.000 1.181 8 A CA 2.034 54.139 52.037 0.113 0.000 0.623 8 A CB -0.878 18.135 19.000 0.022 0.000 0.818 8 A HN 0.685 nan 8.150 nan 0.000 0.443 9 H N 0.500 119.648 119.070 0.129 0.000 2.252 9 H HA -0.149 4.364 4.556 -0.071 0.000 0.292 9 H C 2.110 177.537 175.328 0.165 0.000 1.082 9 H CA 2.253 58.375 56.048 0.123 0.000 1.229 9 H CB -0.192 29.632 29.762 0.103 0.000 1.353 9 H HN 0.286 nan 8.280 nan 0.000 0.488 10 R N -0.317 120.480 120.500 0.494 0.000 2.120 10 R HA -0.125 4.172 4.340 -0.072 0.000 0.234 10 R C 2.516 179.061 176.300 0.409 0.000 1.123 10 R CA 0.845 57.181 56.100 0.394 0.000 0.975 10 R CB -1.405 29.066 30.300 0.285 0.000 0.866 10 R HN 0.350 nan 8.270 nan 0.000 0.446 11 F N 2.378 122.485 119.950 0.262 0.000 2.075 11 F HA -0.251 4.234 4.527 -0.070 0.000 0.297 11 F C 2.718 178.543 175.800 0.042 0.000 1.113 11 F CA 2.524 60.564 58.000 0.066 0.000 1.218 11 F CB -0.516 38.340 39.000 -0.240 0.000 0.984 11 F HN 0.064 nan 8.300 nan 0.000 0.472 12 K N 0.252 120.882 120.400 0.383 0.000 2.020 12 K HA -0.215 4.062 4.320 -0.072 0.000 0.212 12 K C 1.838 178.511 176.600 0.122 0.000 1.050 12 K CA 2.106 58.530 56.287 0.228 0.000 0.929 12 K CB -1.590 30.987 32.500 0.128 0.000 0.714 12 K HN 0.485 nan 8.250 nan 0.000 0.443 13 D N 0.292 120.775 120.400 0.139 0.000 2.123 13 D HA -0.085 4.512 4.640 -0.072 0.000 0.196 13 D C 1.914 178.256 176.300 0.071 0.000 0.992 13 D CA 1.529 55.595 54.000 0.110 0.000 0.833 13 D CB 0.053 40.954 40.800 0.168 0.000 0.954 13 D HN 0.464 nan 8.370 nan 0.000 0.455 14 L N -0.478 120.782 121.223 0.062 0.000 2.416 14 L HA 0.229 4.526 4.340 -0.072 0.000 0.216 14 L C 1.349 178.180 176.870 -0.065 0.000 1.098 14 L CA 0.292 55.142 54.840 0.017 0.000 0.840 14 L CB -0.080 42.013 42.059 0.057 0.000 0.981 14 L HN 0.070 nan 8.230 nan 0.000 0.462 15 G N -0.032 108.660 108.800 -0.179 0.000 2.757 15 G HA2 -0.212 3.705 3.960 -0.072 0.000 0.638 15 G HA3 -0.212 3.705 3.960 -0.072 0.000 0.638 15 G C 0.352 174.895 174.900 -0.595 0.000 1.344 15 G CA 0.028 44.956 45.100 -0.288 0.000 0.855 15 G HN 0.145 nan 8.290 nan 0.000 0.537 16 E N -1.204 118.694 120.200 -0.504 0.000 2.076 16 E HA 0.065 4.372 4.350 -0.072 0.000 0.190 16 E C 2.373 178.893 176.600 -0.134 0.000 0.979 16 E CA 2.034 58.162 56.400 -0.455 0.000 0.807 16 E CB -0.654 28.972 29.700 -0.125 0.000 0.761 16 E HN 1.027 nan 8.360 nan 0.000 0.454 17 E N 0.849 121.009 120.200 -0.067 0.000 2.038 17 E HA -0.185 4.122 4.350 -0.072 0.000 0.195 17 E C 2.180 178.789 176.600 0.014 0.000 1.000 17 E CA 1.377 57.776 56.400 -0.001 0.000 0.803 17 E CB -0.417 29.288 29.700 0.008 0.000 0.750 17 E HN 0.680 nan 8.360 nan 0.000 0.448 18 N N -0.445 118.253 118.700 -0.002 0.000 2.171 18 N HA -0.061 4.636 4.740 -0.072 0.000 0.184 18 N C 1.616 177.137 175.510 0.019 0.000 1.021 18 N CA 1.289 54.343 53.050 0.007 0.000 0.854 18 N CB -0.638 37.850 38.487 0.001 0.000 0.994 18 N HN 0.346 nan 8.380 nan 0.000 0.426 19 F N 2.532 122.388 119.950 -0.157 0.000 2.095 19 F HA -0.247 4.239 4.527 -0.069 0.000 0.298 19 F C 2.465 178.212 175.800 -0.089 0.000 1.104 19 F CA 2.414 60.327 58.000 -0.144 0.000 1.232 19 F CB -0.539 38.281 39.000 -0.301 0.000 0.987 19 F HN 0.051 nan 8.300 nan 0.000 0.475 20 K N 0.397 120.944 120.400 0.245 0.000 2.097 20 K HA 0.162 4.439 4.320 -0.072 0.000 0.205 20 K C 2.248 178.843 176.600 -0.008 0.000 1.050 20 K CA 1.326 57.701 56.287 0.146 0.000 0.938 20 K CB -1.685 30.906 32.500 0.152 0.000 0.718 20 K HN 0.536 nan 8.250 nan 0.000 0.442 21 A N 0.953 123.768 122.820 -0.008 0.000 1.855 21 A HA 0.073 4.350 4.320 -0.072 0.000 0.215 21 A C 2.470 179.998 177.584 -0.094 0.000 1.191 21 A CA 1.406 53.428 52.037 -0.026 0.000 0.613 21 A CB -0.337 18.664 19.000 0.000 0.000 0.829 21 A HN 0.406 nan 8.150 nan 0.000 0.442 22 L N -0.356 120.788 121.223 -0.131 0.000 2.042 22 L HA -0.175 4.122 4.340 -0.072 0.000 0.210 22 L C 2.491 179.198 176.870 -0.271 0.000 1.076 22 L CA 1.114 55.843 54.840 -0.184 0.000 0.749 22 L CB -0.550 41.395 42.059 -0.190 0.000 0.893 22 L HN 0.249 nan 8.230 nan 0.000 0.432 23 V N -0.237 119.456 119.914 -0.370 0.000 2.515 23 V HA -0.258 3.819 4.120 -0.072 0.000 0.250 23 V C 2.311 178.034 176.094 -0.617 0.000 1.058 23 V CA 1.402 63.385 62.300 -0.528 0.000 1.064 23 V CB -0.286 31.169 31.823 -0.613 0.000 0.675 23 V HN 0.321 nan 8.190 nan 0.000 0.461 24 L N -0.010 121.014 121.223 -0.333 0.000 2.056 24 L HA -0.084 4.213 4.340 -0.072 0.000 0.207 24 L C 2.146 178.931 176.870 -0.142 0.000 1.078 24 L CA 1.870 56.605 54.840 -0.175 0.000 0.749 24 L CB -0.438 41.608 42.059 -0.022 0.000 0.901 24 L HN 0.210 nan 8.230 nan 0.000 0.433 25 I N -0.376 120.102 120.570 -0.153 0.000 2.286 25 I HA -0.285 3.842 4.170 -0.072 0.000 0.248 25 I C 2.580 178.586 176.117 -0.184 0.000 1.115 25 I CA 1.116 62.327 61.300 -0.149 0.000 1.392 25 I CB -0.652 37.265 38.000 -0.138 0.000 1.065 25 I HN 0.368 nan 8.210 nan 0.000 0.418 26 A N 0.984 123.669 122.820 -0.225 0.000 1.877 26 A HA -0.187 4.090 4.320 -0.072 0.000 0.216 26 A C 2.097 179.659 177.584 -0.037 0.000 1.186 26 A CA 1.508 53.396 52.037 -0.248 0.000 0.620 26 A CB -0.768 18.079 19.000 -0.255 0.000 0.822 26 A HN 0.309 nan 8.150 nan 0.000 0.443 27 F N 0.030 119.903 119.950 -0.129 0.000 2.186 27 F HA -0.003 4.480 4.527 -0.074 0.000 0.299 27 F C 2.826 178.436 175.800 -0.317 0.000 1.090 27 F CA 0.266 58.206 58.000 -0.099 0.000 1.307 27 F CB -1.276 37.695 39.000 -0.049 0.000 1.019 27 F HN 0.288 nan 8.300 nan 0.000 0.489 28 A N -0.625 122.055 122.820 -0.233 0.000 2.015 28 A HA -0.168 4.109 4.320 -0.072 0.000 0.219 28 A C 2.112 179.617 177.584 -0.131 0.000 1.163 28 A CA 1.161 53.034 52.037 -0.274 0.000 0.646 28 A CB -0.637 18.256 19.000 -0.178 0.000 0.806 28 A HN 0.438 nan 8.150 nan 0.000 0.448 29 Q N -2.236 117.480 119.800 -0.139 0.000 2.331 29 Q HA -0.033 4.264 4.340 -0.072 0.000 0.203 29 Q C 1.371 177.336 176.000 -0.057 0.000 0.944 29 Q CA 0.767 56.470 55.803 -0.167 0.000 0.892 29 Q CB -0.008 28.557 28.738 -0.288 0.000 0.983 29 Q HN 0.791 nan 8.270 nan 0.000 0.482 30 Y N -0.017 120.291 120.300 0.013 0.000 2.230 30 Y HA 0.109 4.618 4.550 -0.069 0.000 0.294 30 Y C 0.867 176.851 175.900 0.140 0.000 1.120 30 Y CA 0.376 58.522 58.100 0.077 0.000 1.129 30 Y CB 0.446 38.928 38.460 0.036 0.000 1.040 30 Y HN -0.083 nan 8.280 nan 0.000 0.519 31 L N 1.498 122.919 121.223 0.329 0.000 2.371 31 L HA 0.266 4.563 4.340 -0.072 0.000 0.262 31 L C 0.659 177.693 176.870 0.273 0.000 1.054 31 L CA -0.082 54.932 54.840 0.289 0.000 0.924 31 L CB 0.936 43.193 42.059 0.329 0.000 1.295 31 L HN 0.135 nan 8.230 nan 0.000 0.441 32 Q N 0.254 120.150 119.800 0.159 0.000 2.378 32 Q HA -0.134 4.163 4.340 -0.072 0.000 0.205 32 Q C 1.328 177.389 176.000 0.101 0.000 0.954 32 Q CA 1.076 56.931 55.803 0.087 0.000 0.901 32 Q CB 0.246 28.991 28.738 0.011 0.000 0.981 32 Q HN 0.628 nan 8.270 nan 0.000 0.483 33 Q N -0.647 119.224 119.800 0.119 0.000 2.250 33 Q HA 0.041 4.338 4.340 -0.072 0.000 0.200 33 Q C 0.359 176.435 176.000 0.126 0.000 0.941 33 Q CA 0.197 56.057 55.803 0.095 0.000 0.872 33 Q CB 0.375 29.148 28.738 0.057 0.000 0.965 33 Q HN 0.225 nan 8.270 nan 0.000 0.480 34 C N 3.639 123.023 119.300 0.141 0.000 2.665 34 C HA 0.110 4.527 4.460 -0.072 0.000 0.416 34 C C -1.747 173.310 174.990 0.111 0.000 1.305 34 C CA -1.241 57.801 59.018 0.041 0.000 1.903 34 C CB -0.163 27.503 27.740 -0.123 0.000 2.704 34 C HN 0.354 nan 8.230 nan 0.000 0.629 35 P HA 0.032 nan 4.420 nan 0.000 0.274 35 P C 0.590 177.838 177.300 -0.087 0.000 1.237 35 P CA -0.098 63.045 63.100 0.072 0.000 0.793 35 P CB 0.387 32.095 31.700 0.013 0.000 0.977 36 F N 2.278 121.976 119.950 -0.421 0.000 2.091 36 F HA -0.255 4.228 4.527 -0.072 0.000 0.299 36 F C 1.898 177.496 175.800 -0.336 0.000 1.103 36 F CA 2.086 59.601 58.000 -0.807 0.000 1.228 36 F CB -0.874 37.648 39.000 -0.796 0.000 0.984 36 F HN 0.288 nan 8.300 nan 0.000 0.477 37 E N 0.532 120.508 120.200 -0.373 0.000 2.049 37 E HA -0.252 4.055 4.350 -0.072 0.000 0.198 37 E C 1.956 178.362 176.600 -0.324 0.000 1.007 37 E CA 1.897 58.076 56.400 -0.369 0.000 0.809 37 E CB -0.648 28.957 29.700 -0.158 0.000 0.749 37 E HN 0.448 nan 8.360 nan 0.000 0.450 38 D N -0.275 119.965 120.400 -0.267 0.000 2.149 38 D HA -0.166 4.431 4.640 -0.072 0.000 0.198 38 D C 1.876 178.060 176.300 -0.193 0.000 0.990 38 D CA 1.166 55.024 54.000 -0.236 0.000 0.839 38 D CB -0.289 40.349 40.800 -0.269 0.000 0.948 38 D HN 0.332 nan 8.370 nan 0.000 0.460 39 H N 0.283 119.295 119.070 -0.096 0.000 2.326 39 H HA -0.003 4.511 4.556 -0.070 0.000 0.301 39 H C 2.525 177.833 175.328 -0.033 0.000 1.081 39 H CA 0.449 56.518 56.048 0.036 0.000 1.334 39 H CB -0.484 29.349 29.762 0.119 0.000 1.385 39 H HN 0.005 nan 8.280 nan 0.000 0.504 40 V N 1.482 121.289 119.914 -0.179 0.000 2.324 40 V HA -0.304 3.773 4.120 -0.072 0.000 0.250 40 V C 2.612 178.652 176.094 -0.090 0.000 1.060 40 V CA 2.283 64.435 62.300 -0.247 0.000 1.042 40 V CB -0.483 30.995 31.823 -0.575 0.000 0.650 40 V HN 0.353 nan 8.190 nan 0.000 0.450 41 K N 0.242 120.588 120.400 -0.091 0.000 2.002 41 K HA -0.147 4.130 4.320 -0.072 0.000 0.209 41 K C 2.090 178.710 176.600 0.034 0.000 1.048 41 K CA 1.734 57.999 56.287 -0.036 0.000 0.930 41 K CB -0.337 32.128 32.500 -0.059 0.000 0.714 41 K HN 0.405 nan 8.250 nan 0.000 0.438 42 L N 0.745 122.016 121.223 0.080 0.000 2.083 42 L HA -0.167 4.130 4.340 -0.072 0.000 0.209 42 L C 2.424 179.462 176.870 0.280 0.000 1.083 42 L CA 0.826 55.763 54.840 0.161 0.000 0.752 42 L CB -0.483 41.666 42.059 0.150 0.000 0.899 42 L HN 0.073 nan 8.230 nan 0.000 0.433 43 V N 0.167 120.245 119.914 0.274 0.000 2.261 43 V HA -0.284 3.793 4.120 -0.072 0.000 0.246 43 V C 2.310 178.489 176.094 0.142 0.000 1.047 43 V CA 1.934 64.331 62.300 0.162 0.000 1.015 43 V CB -0.671 31.194 31.823 0.068 0.000 0.642 43 V HN 0.490 nan 8.190 nan 0.000 0.446 44 N N 0.188 118.952 118.700 0.106 0.000 2.043 44 N HA -0.196 4.501 4.740 -0.072 0.000 0.193 44 N C 1.854 177.428 175.510 0.107 0.000 1.037 44 N CA 1.755 54.862 53.050 0.096 0.000 0.851 44 N CB -0.388 38.131 38.487 0.054 0.000 1.027 44 N HN 0.599 nan 8.380 nan 0.000 0.422 45 E N 0.379 120.634 120.200 0.091 0.000 2.070 45 E HA -0.147 4.160 4.350 -0.072 0.000 0.197 45 E C 2.026 178.699 176.600 0.121 0.000 1.004 45 E CA 1.134 57.586 56.400 0.086 0.000 0.805 45 E CB -0.037 29.694 29.700 0.051 0.000 0.744 45 E HN 0.088 nan 8.360 nan 0.000 0.451 46 V N 0.922 120.914 119.914 0.131 0.000 2.358 46 V HA -0.235 3.842 4.120 -0.072 0.000 0.246 46 V C 2.297 178.544 176.094 0.254 0.000 1.047 46 V CA 2.124 64.508 62.300 0.140 0.000 1.035 46 V CB -0.682 31.197 31.823 0.093 0.000 0.658 46 V HN 0.343 nan 8.190 nan 0.000 0.452 47 T N -0.623 114.095 114.554 0.274 0.000 2.720 47 T HA -0.250 4.057 4.350 -0.072 0.000 0.268 47 T C 1.863 176.644 174.700 0.136 0.000 1.037 47 T CA 1.858 64.132 62.100 0.291 0.000 1.144 47 T CB -0.181 68.849 68.868 0.271 0.000 0.864 47 T HN 0.536 nan 8.240 nan 0.000 0.444 48 E N -0.024 120.248 120.200 0.120 0.000 2.072 48 E HA -0.064 4.243 4.350 -0.072 0.000 0.191 48 E C 1.765 178.385 176.600 0.033 0.000 0.985 48 E CA 0.733 57.165 56.400 0.053 0.000 0.801 48 E CB -0.237 29.502 29.700 0.064 0.000 0.750 48 E HN 0.470 nan 8.360 nan 0.000 0.452 49 F N 0.878 120.810 119.950 -0.029 0.000 2.126 49 F HA -0.247 4.237 4.527 -0.072 0.000 0.299 49 F C 2.015 177.765 175.800 -0.083 0.000 1.096 49 F CA 1.557 59.532 58.000 -0.041 0.000 1.255 49 F CB -0.364 38.629 39.000 -0.012 0.000 0.997 49 F HN 0.061 nan 8.300 nan 0.000 0.479 50 A N 0.124 122.991 122.820 0.078 0.000 1.908 50 A HA -0.239 4.038 4.320 -0.072 0.000 0.218 50 A C 2.231 179.545 177.584 -0.449 0.000 1.181 50 A CA 1.960 53.922 52.037 -0.125 0.000 0.627 50 A CB -0.689 18.230 19.000 -0.135 0.000 0.818 50 A HN 0.469 nan 8.150 nan 0.000 0.445 51 K N -0.605 119.516 120.400 -0.466 0.000 2.097 51 K HA -0.135 4.142 4.320 -0.072 0.000 0.206 51 K C 2.218 178.593 176.600 -0.374 0.000 1.049 51 K CA 1.805 57.784 56.287 -0.513 0.000 0.933 51 K CB -0.447 31.861 32.500 -0.320 0.000 0.717 51 K HN 0.751 nan 8.250 nan 0.000 0.442 52 T N -1.392 112.959 114.554 -0.338 0.000 2.915 52 T HA -0.111 4.196 4.350 -0.072 0.000 0.269 52 T C 2.189 176.690 174.700 -0.331 0.000 1.071 52 T CA 1.049 62.955 62.100 -0.323 0.000 1.132 52 T CB -0.577 68.064 68.868 -0.379 0.000 0.878 52 T HN 0.191 nan 8.240 nan 0.000 0.479 53 c N 0.877 119.256 118.600 -0.368 0.000 2.467 53 c HA 0.170 4.697 4.570 -0.072 0.000 0.279 53 c C 2.887 176.856 174.090 -0.201 0.000 1.347 53 c CA 0.006 56.175 56.329 -0.267 0.000 1.748 53 c CB -1.044 41.344 42.510 -0.204 0.000 1.977 53 c HN 0.462 nan 8.230 nan 0.000 0.501 54 V N 1.731 121.489 119.914 -0.260 0.000 2.287 54 V HA -0.248 3.829 4.120 -0.072 0.000 0.248 54 V C 2.630 178.632 176.094 -0.153 0.000 1.053 54 V CA 2.393 64.564 62.300 -0.215 0.000 1.027 54 V CB -1.327 30.309 31.823 -0.312 0.000 0.646 54 V HN 0.612 nan 8.190 nan 0.000 0.447 55 A N 0.184 122.904 122.820 -0.167 0.000 1.821 55 A HA -0.039 4.238 4.320 -0.072 0.000 0.215 55 A C 1.595 179.116 177.584 -0.105 0.000 1.214 55 A CA 1.423 53.385 52.037 -0.124 0.000 0.608 55 A CB -1.129 17.794 19.000 -0.128 0.000 0.862 55 A HN 0.583 nan 8.150 nan 0.000 0.448 56 D N 0.073 120.401 120.400 -0.120 0.000 2.522 56 D HA 0.453 5.050 4.640 -0.072 0.000 0.218 56 D C 0.161 176.403 176.300 -0.096 0.000 1.149 56 D CA 0.049 53.990 54.000 -0.098 0.000 0.981 56 D CB -0.337 40.402 40.800 -0.101 0.000 1.041 56 D HN 0.543 nan 8.370 nan 0.000 0.518 57 E N 0.440 120.598 120.200 -0.069 0.000 2.780 57 E HA 0.111 4.418 4.350 -0.072 0.000 0.234 57 E C 0.593 177.178 176.600 -0.026 0.000 1.425 57 E CA 0.288 56.661 56.400 -0.047 0.000 1.481 57 E CB -0.196 29.488 29.700 -0.026 0.000 1.357 57 E HN 0.431 nan 8.360 nan 0.000 0.431 58 S N -1.645 114.032 115.700 -0.038 0.000 2.833 58 S HA 0.261 4.688 4.470 -0.072 0.000 0.214 58 S C 0.403 174.987 174.600 -0.027 0.000 0.767 58 S CA 0.109 58.300 58.200 -0.016 0.000 1.230 58 S CB -0.287 62.908 63.200 -0.008 0.000 1.344 58 S HN 0.347 nan 8.310 nan 0.000 0.541 59 A N 1.893 124.673 122.820 -0.067 0.000 2.877 59 A HA 0.407 4.684 4.320 -0.072 0.000 0.167 59 A C 1.815 179.381 177.584 -0.030 0.000 1.210 59 A CA 1.624 53.610 52.037 -0.084 0.000 0.889 59 A CB -1.525 17.364 19.000 -0.185 0.000 0.935 59 A HN 0.888 nan 8.150 nan 0.000 0.544 60 E N -0.607 119.573 120.200 -0.032 0.000 1.994 60 E HA -0.104 4.203 4.350 -0.072 0.000 0.197 60 E C 0.942 177.663 176.600 0.201 0.000 0.982 60 E CA 1.718 58.202 56.400 0.140 0.000 0.855 60 E CB -0.746 29.174 29.700 0.367 0.000 0.806 60 E HN 0.692 nan 8.360 nan 0.000 0.495 61 N N -1.327 117.600 118.700 0.378 0.000 2.517 61 N HA 0.209 4.906 4.740 -0.072 0.000 0.285 61 N C 0.365 176.038 175.510 0.272 0.000 1.528 61 N CA 0.027 53.230 53.050 0.255 0.000 0.892 61 N CB 0.407 39.004 38.487 0.184 0.000 1.356 61 N HN 0.412 nan 8.380 nan 0.000 0.495 62 c N 0.576 119.307 118.600 0.218 0.000 2.430 62 c HA -0.091 4.436 4.570 -0.072 0.000 0.288 62 c C 2.182 176.351 174.090 0.132 0.000 1.448 62 c CA 0.679 57.108 56.329 0.167 0.000 1.784 62 c CB -0.868 41.661 42.510 0.031 0.000 1.776 62 c HN 0.608 nan 8.230 nan 0.000 0.547 63 D N 1.179 121.647 120.400 0.113 0.000 2.194 63 D HA -0.076 4.521 4.640 -0.072 0.000 0.204 63 D C 0.737 177.096 176.300 0.099 0.000 0.964 63 D CA 0.634 54.688 54.000 0.091 0.000 0.846 63 D CB -0.363 40.479 40.800 0.071 0.000 0.962 63 D HN 0.406 nan 8.370 nan 0.000 0.490 64 K N 0.976 121.443 120.400 0.113 0.000 2.397 64 K HA 0.139 4.416 4.320 -0.072 0.000 0.265 64 K C 0.801 177.473 176.600 0.120 0.000 0.982 64 K CA -0.011 56.341 56.287 0.108 0.000 0.931 64 K CB 0.504 33.066 32.500 0.103 0.000 0.943 64 K HN 0.210 nan 8.250 nan 0.000 0.501 65 S N 1.055 116.824 115.700 0.114 0.000 2.614 65 S HA 0.127 4.554 4.470 -0.072 0.000 0.265 65 S C 1.424 176.121 174.600 0.161 0.000 1.303 65 S CA -0.748 57.517 58.200 0.109 0.000 1.000 65 S CB 0.497 63.753 63.200 0.093 0.000 0.935 65 S HN 0.540 nan 8.310 nan 0.000 0.551 66 L N 0.556 121.858 121.223 0.133 0.000 1.970 66 L HA -0.166 4.131 4.340 -0.072 0.000 0.212 66 L C 2.799 179.939 176.870 0.449 0.000 1.071 66 L CA 1.702 56.742 54.840 0.333 0.000 0.751 66 L CB -1.098 40.960 42.059 -0.002 0.000 0.889 66 L HN 0.761 nan 8.230 nan 0.000 0.432 67 H N -0.122 119.067 119.070 0.200 0.000 2.321 67 H HA -0.185 4.328 4.556 -0.073 0.000 0.295 67 H C 2.371 177.816 175.328 0.195 0.000 1.102 67 H CA 2.075 58.219 56.048 0.161 0.000 1.266 67 H CB -0.976 28.840 29.762 0.090 0.000 1.363 67 H HN 0.366 nan 8.280 nan 0.000 0.492 68 T N 1.885 116.608 114.554 0.281 0.000 2.635 68 T HA -0.141 4.166 4.350 -0.072 0.000 0.267 68 T C 2.551 177.333 174.700 0.136 0.000 1.040 68 T CA 1.454 63.657 62.100 0.172 0.000 1.156 68 T CB -0.554 68.389 68.868 0.125 0.000 0.863 68 T HN 0.179 nan 8.240 nan 0.000 0.430 69 L N -0.454 120.854 121.223 0.143 0.000 1.994 69 L HA -0.056 4.241 4.340 -0.072 0.000 0.208 69 L C 2.477 179.345 176.870 -0.003 0.000 1.071 69 L CA 1.503 56.342 54.840 -0.002 0.000 0.745 69 L CB -0.765 41.241 42.059 -0.088 0.000 0.892 69 L HN 0.187 nan 8.230 nan 0.000 0.431 70 F N 0.350 120.354 119.950 0.091 0.000 2.171 70 F HA -0.126 4.360 4.527 -0.069 0.000 0.300 70 F C 2.538 178.311 175.800 -0.045 0.000 1.090 70 F CA 1.368 59.460 58.000 0.153 0.000 1.293 70 F CB -1.336 37.824 39.000 0.268 0.000 1.013 70 F HN 0.023 nan 8.300 nan 0.000 0.486 71 G N -0.309 108.563 108.800 0.119 0.000 2.421 71 G HA2 -0.209 3.708 3.960 -0.072 0.000 0.216 71 G HA3 -0.209 3.708 3.960 -0.072 0.000 0.216 71 G C 1.404 176.285 174.900 -0.031 0.000 1.171 71 G CA 1.073 46.134 45.100 -0.066 0.000 0.775 71 G HN 0.249 nan 8.290 nan 0.000 0.543 72 D N 0.475 120.868 120.400 -0.011 0.000 2.178 72 D HA -0.056 4.541 4.640 -0.072 0.000 0.201 72 D C 2.367 178.619 176.300 -0.079 0.000 0.980 72 D CA 0.671 54.650 54.000 -0.035 0.000 0.842 72 D CB 0.008 40.781 40.800 -0.045 0.000 0.948 72 D HN 0.116 nan 8.370 nan 0.000 0.472 73 K N 0.548 120.876 120.400 -0.119 0.000 2.155 73 K HA 0.032 4.309 4.320 -0.072 0.000 0.203 73 K C 2.285 178.748 176.600 -0.229 0.000 1.052 73 K CA 0.205 56.392 56.287 -0.167 0.000 0.948 73 K CB -0.197 32.202 32.500 -0.167 0.000 0.728 73 K HN 0.257 nan 8.250 nan 0.000 0.448 74 L N -0.284 120.779 121.223 -0.267 0.000 2.209 74 L HA -0.070 4.227 4.340 -0.072 0.000 0.207 74 L C 1.970 178.797 176.870 -0.071 0.000 1.094 74 L CA 0.355 55.052 54.840 -0.239 0.000 0.790 74 L CB -0.184 41.713 42.059 -0.271 0.000 0.932 74 L HN 0.024 nan 8.230 nan 0.000 0.447 75 c N 0.079 118.663 118.600 -0.026 0.000 2.526 75 c HA -0.025 4.502 4.570 -0.072 0.000 0.286 75 c C 2.316 176.391 174.090 -0.025 0.000 1.416 75 c CA 1.115 57.452 56.329 0.013 0.000 1.671 75 c CB -1.726 40.807 42.510 0.040 0.000 1.650 75 c HN 0.600 nan 8.230 nan 0.000 0.590 76 T N -3.040 111.483 114.554 -0.051 0.000 3.092 76 T HA 0.202 4.509 4.350 -0.072 0.000 0.258 76 T C 0.661 175.328 174.700 -0.055 0.000 1.031 76 T CA 0.738 62.806 62.100 -0.052 0.000 0.925 76 T CB -0.065 68.766 68.868 -0.062 0.000 1.036 76 T HN 0.467 nan 8.240 nan 0.000 0.544 77 V N -3.173 116.708 119.914 -0.055 0.000 3.537 77 V HA 0.829 4.906 4.120 -0.072 0.000 0.315 77 V C 0.446 176.515 176.094 -0.041 0.000 1.541 77 V CA -0.501 61.765 62.300 -0.057 0.000 1.160 77 V CB -0.522 31.252 31.823 -0.083 0.000 0.998 77 V HN 0.530 nan 8.190 nan 0.000 0.473 89 D N 0.974 121.273 120.400 -0.168 0.000 2.190 89 D HA -0.183 4.414 4.640 -0.072 0.000 0.200 89 D C 1.819 178.003 176.300 -0.194 0.000 0.992 89 D CA 1.810 55.719 54.000 -0.152 0.000 0.854 89 D CB -1.084 39.636 40.800 -0.133 0.000 0.936 89 D HN 0.396 nan 8.370 nan 0.000 0.462 90 c N 0.469 118.878 118.600 -0.319 0.000 2.429 90 c HA -0.125 4.402 4.570 -0.072 0.000 0.277 90 c C 3.098 177.006 174.090 -0.303 0.000 1.262 90 c CA 0.724 56.787 56.329 -0.444 0.000 1.733 90 c CB -1.103 40.859 42.510 -0.914 0.000 2.010 90 c HN 0.525 nan 8.230 nan 0.000 0.483 91 c N 0.710 119.179 118.600 -0.218 0.000 2.472 91 c HA 0.090 4.617 4.570 -0.072 0.000 0.278 91 c C 2.854 176.917 174.090 -0.045 0.000 1.447 91 c CA 0.744 57.034 56.329 -0.064 0.000 1.773 91 c CB -1.679 40.812 42.510 -0.031 0.000 1.793 91 c HN 0.715 nan 8.230 nan 0.000 0.544 92 A N 0.895 123.672 122.820 -0.071 0.000 1.968 92 A HA 0.181 4.458 4.320 -0.072 0.000 0.217 92 A C 1.636 179.201 177.584 -0.032 0.000 1.169 92 A CA 1.716 53.725 52.037 -0.047 0.000 0.638 92 A CB -0.461 18.506 19.000 -0.056 0.000 0.812 92 A HN 0.587 nan 8.150 nan 0.000 0.446 93 K N -0.244 120.131 120.400 -0.041 0.000 2.233 93 K HA 0.508 4.785 4.320 -0.072 0.000 0.239 93 K C 0.154 176.759 176.600 0.008 0.000 1.064 93 K CA 0.257 56.532 56.287 -0.020 0.000 0.884 93 K CB -0.132 32.349 32.500 -0.031 0.000 1.166 93 K HN 0.678 nan 8.250 nan 0.000 0.512 94 Q N -1.442 118.370 119.800 0.019 0.000 2.633 94 Q HA 0.476 4.773 4.340 -0.072 0.000 0.292 94 Q C 1.568 177.597 176.000 0.049 0.000 1.089 94 Q CA -0.043 55.781 55.803 0.036 0.000 0.811 94 Q CB 1.136 29.892 28.738 0.029 0.000 1.472 94 Q HN 0.911 nan 8.270 nan 0.000 0.464 95 E N 0.241 120.477 120.200 0.060 0.000 2.813 95 E HA -0.315 3.992 4.350 -0.072 0.000 0.233 95 E C -1.144 175.492 176.600 0.060 0.000 0.922 95 E CA 2.850 59.294 56.400 0.073 0.000 1.351 95 E CB -3.029 26.714 29.700 0.072 0.000 1.349 95 E HN 0.646 nan 8.360 nan 0.000 0.485 96 P HA 0.100 nan 4.420 nan 0.000 0.212 96 P C 1.866 179.185 177.300 0.031 0.000 1.179 96 P CA 2.847 65.971 63.100 0.039 0.000 0.898 96 P CB -0.418 31.307 31.700 0.042 0.000 0.775 97 E N 0.297 120.513 120.200 0.027 0.000 2.130 97 E HA -0.319 3.988 4.350 -0.072 0.000 0.196 97 E C 2.267 178.875 176.600 0.014 0.000 0.998 97 E CA 2.580 58.989 56.400 0.015 0.000 0.806 97 E CB -1.852 27.852 29.700 0.007 0.000 0.738 97 E HN 0.270 nan 8.360 nan 0.000 0.459 98 R N 1.051 121.572 120.500 0.035 0.000 2.073 98 R HA -0.078 4.219 4.340 -0.072 0.000 0.234 98 R C 2.285 178.695 176.300 0.183 0.000 1.134 98 R CA 1.821 57.965 56.100 0.075 0.000 0.952 98 R CB -1.559 28.817 30.300 0.127 0.000 0.850 98 R HN 0.689 nan 8.270 nan 0.000 0.433 99 N N -0.346 118.421 118.700 0.112 0.000 2.084 99 N HA -0.148 4.549 4.740 -0.072 0.000 0.190 99 N C 1.603 177.132 175.510 0.032 0.000 1.030 99 N CA 1.342 54.410 53.050 0.030 0.000 0.849 99 N CB 0.006 38.349 38.487 -0.239 0.000 1.012 99 N HN 0.438 nan 8.380 nan 0.000 0.423 100 E N 0.907 121.111 120.200 0.007 0.000 2.118 100 E HA -0.172 4.135 4.350 -0.072 0.000 0.195 100 E C 2.107 178.711 176.600 0.007 0.000 0.992 100 E CA 0.287 56.682 56.400 -0.009 0.000 0.804 100 E CB -0.970 28.736 29.700 0.010 0.000 0.741 100 E HN 0.387 nan 8.360 nan 0.000 0.458 101 c N 0.111 118.714 118.600 0.006 0.000 2.388 101 c HA -0.220 4.307 4.570 -0.072 0.000 0.277 101 c C 2.562 176.677 174.090 0.042 0.000 1.210 101 c CA 0.988 57.302 56.329 -0.025 0.000 1.743 101 c CB -1.416 40.972 42.510 -0.202 0.000 2.047 101 c HN 0.372 nan 8.230 nan 0.000 0.458 102 F N 1.011 120.909 119.950 -0.086 0.000 2.126 102 F HA -0.080 4.402 4.527 -0.075 0.000 0.299 102 F C 2.254 178.048 175.800 -0.009 0.000 1.096 102 F CA 1.554 59.466 58.000 -0.147 0.000 1.255 102 F CB -0.860 37.736 39.000 -0.675 0.000 0.997 102 F HN 0.198 nan 8.300 nan 0.000 0.479 103 L N -0.503 120.820 121.223 0.166 0.000 2.079 103 L HA -0.263 4.034 4.340 -0.072 0.000 0.210 103 L C 2.453 179.364 176.870 0.067 0.000 1.081 103 L CA 1.434 56.349 54.840 0.126 0.000 0.752 103 L CB -0.726 41.318 42.059 -0.026 0.000 0.896 103 L HN 0.262 nan 8.230 nan 0.000 0.433 104 Q N -0.874 118.919 119.800 -0.012 0.000 2.435 104 Q HA -0.129 4.168 4.340 -0.072 0.000 0.207 104 Q C 1.170 177.005 176.000 -0.275 0.000 0.956 104 Q CA 0.782 56.498 55.803 -0.144 0.000 0.917 104 Q CB 0.218 28.809 28.738 -0.245 0.000 0.997 104 Q HN 0.634 nan 8.270 nan 0.000 0.497 105 H N -0.800 118.278 119.070 0.013 0.000 2.586 105 H HA 0.178 4.692 4.556 -0.071 0.000 0.273 105 H C -0.311 175.043 175.328 0.044 0.000 0.997 105 H CA -0.114 55.938 56.048 0.007 0.000 1.177 105 H CB 0.485 30.218 29.762 -0.047 0.000 1.471 105 H HN -0.089 nan 8.280 nan 0.000 0.538 106 K N 1.484 121.960 120.400 0.126 0.000 2.401 106 K HA 0.005 4.282 4.320 -0.072 0.000 0.278 106 K C -0.455 176.193 176.600 0.080 0.000 1.018 106 K CA 0.069 56.398 56.287 0.071 0.000 0.981 106 K CB 0.548 33.001 32.500 -0.078 0.000 0.933 106 K HN 0.111 nan 8.250 nan 0.000 0.477 107 D N 1.978 122.414 120.400 0.059 0.000 2.349 107 D HA 0.080 4.677 4.640 -0.072 0.000 0.232 107 D C 0.100 176.438 176.300 0.064 0.000 1.071 107 D CA -0.339 53.696 54.000 0.059 0.000 0.832 107 D CB 1.036 41.858 40.800 0.036 0.000 1.086 107 D HN 0.374 nan 8.370 nan 0.000 0.504 108 D N 2.454 122.916 120.400 0.103 0.000 2.269 108 D HA -0.098 4.499 4.640 -0.072 0.000 0.208 108 D C 0.123 176.442 176.300 0.032 0.000 0.963 108 D CA 0.737 54.803 54.000 0.110 0.000 0.864 108 D CB 0.324 41.190 40.800 0.110 0.000 0.936 108 D HN 0.481 nan 8.370 nan 0.000 0.505 109 N N 0.651 119.358 118.700 0.011 0.000 2.723 109 N HA 0.123 4.820 4.740 -0.072 0.000 0.290 109 N C -2.745 172.752 175.510 -0.021 0.000 1.882 109 N CA -1.239 51.802 53.050 -0.014 0.000 0.851 109 N CB 1.390 39.873 38.487 -0.007 0.000 1.234 109 N HN -0.119 nan 8.380 nan 0.000 0.491 110 P HA 0.005 nan 4.420 nan 0.000 0.268 110 P C -0.523 176.756 177.300 -0.034 0.000 1.204 110 P CA -0.118 62.963 63.100 -0.031 0.000 0.768 110 P CB 0.744 32.415 31.700 -0.048 0.000 0.842 111 N N 3.802 122.490 118.700 -0.019 0.000 3.127 111 N HA 0.058 4.755 4.740 -0.072 0.000 0.317 111 N C -0.435 175.064 175.510 -0.019 0.000 1.242 111 N CA 0.239 53.279 53.050 -0.017 0.000 1.203 111 N CB -1.055 37.428 38.487 -0.008 0.000 1.462 111 N HN 0.387 nan 8.380 nan 0.000 0.546 112 L N 1.387 122.590 121.223 -0.033 0.000 2.334 112 L HA 0.527 4.824 4.340 -0.072 0.000 0.275 112 L C -1.645 175.209 176.870 -0.027 0.000 1.036 112 L CA -2.048 52.772 54.840 -0.033 0.000 0.807 112 L CB 1.010 43.033 42.059 -0.060 0.000 1.231 112 L HN 0.180 nan 8.230 nan 0.000 0.438 113 P HA 0.089 nan 4.420 nan 0.000 0.267 113 P C -0.817 176.475 177.300 -0.014 0.000 1.205 113 P CA -0.438 62.657 63.100 -0.008 0.000 0.765 113 P CB 0.325 32.027 31.700 0.004 0.000 0.828 114 R N 1.070 121.564 120.500 -0.010 0.000 2.740 114 R HA 0.287 4.584 4.340 -0.072 0.000 0.263 114 R C -0.456 175.842 176.300 -0.004 0.000 0.997 114 R CA -0.371 55.724 56.100 -0.009 0.000 1.108 114 R CB -0.599 29.701 30.300 -0.000 0.000 0.969 114 R HN 0.289 nan 8.270 nan 0.000 0.431 115 L N 3.146 124.366 121.223 -0.004 0.000 2.255 115 L HA 0.529 4.826 4.340 -0.072 0.000 0.289 115 L C 0.001 176.886 176.870 0.025 0.000 1.046 115 L CA -0.881 53.961 54.840 0.004 0.000 0.816 115 L CB 1.174 43.225 42.059 -0.014 0.000 1.197 115 L HN 0.680 nan 8.230 nan 0.000 0.427 116 V N 4.863 124.796 119.914 0.033 0.000 2.532 116 V HA 0.791 4.868 4.120 -0.072 0.000 0.295 116 V C 0.356 176.488 176.094 0.064 0.000 1.041 116 V CA -0.798 61.529 62.300 0.045 0.000 0.926 116 V CB 1.755 33.602 31.823 0.039 0.000 0.992 116 V HN 1.147 nan 8.190 nan 0.000 0.457 117 R N 5.861 126.408 120.500 0.079 0.000 2.255 117 R HA 0.617 4.914 4.340 -0.072 0.000 0.326 117 R C -2.652 173.708 176.300 0.100 0.000 0.986 117 R CA -1.415 54.750 56.100 0.109 0.000 0.847 117 R CB 0.786 31.170 30.300 0.140 0.000 1.111 117 R HN 0.528 nan 8.270 nan 0.000 0.452 118 P HA -0.062 nan 4.420 nan 0.000 0.272 118 P C -0.557 176.798 177.300 0.090 0.000 1.248 118 P CA -0.321 62.833 63.100 0.091 0.000 0.799 118 P CB 0.435 32.194 31.700 0.098 0.000 0.997 119 E N -0.566 119.677 120.200 0.070 0.000 2.418 119 E HA -0.022 4.285 4.350 -0.072 0.000 0.261 119 E C 0.913 177.556 176.600 0.072 0.000 1.070 119 E CA 0.097 56.533 56.400 0.059 0.000 0.931 119 E CB 0.199 29.925 29.700 0.044 0.000 0.954 119 E HN 0.116 nan 8.360 nan 0.000 0.439 120 V N 3.425 123.372 119.914 0.055 0.000 2.317 120 V HA -0.343 3.734 4.120 -0.072 0.000 0.251 120 V C 1.481 177.611 176.094 0.061 0.000 1.065 120 V CA 2.337 64.668 62.300 0.053 0.000 1.049 120 V CB -0.647 31.181 31.823 0.008 0.000 0.651 120 V HN 0.709 nan 8.190 nan 0.000 0.450 121 D N 0.017 120.446 120.400 0.048 0.000 2.116 121 D HA -0.146 4.451 4.640 -0.072 0.000 0.193 121 D C 2.163 178.494 176.300 0.051 0.000 0.998 121 D CA 1.644 55.672 54.000 0.046 0.000 0.836 121 D CB -0.431 40.391 40.800 0.038 0.000 0.951 121 D HN 0.372 nan 8.370 nan 0.000 0.449 122 V N 1.020 120.968 119.914 0.057 0.000 2.295 122 V HA -0.271 3.806 4.120 -0.072 0.000 0.246 122 V C 2.561 178.684 176.094 0.048 0.000 1.049 122 V CA 1.468 63.801 62.300 0.055 0.000 1.024 122 V CB -0.501 31.362 31.823 0.067 0.000 0.648 122 V HN 0.207 nan 8.190 nan 0.000 0.447 123 M N -0.583 119.071 119.600 0.090 0.000 2.073 123 M HA -0.249 4.188 4.480 -0.072 0.000 0.258 123 M C 2.466 178.684 176.300 -0.137 0.000 1.070 123 M CA 2.229 57.579 55.300 0.084 0.000 1.103 123 M CB -0.989 31.823 32.600 0.355 0.000 1.321 123 M HN 0.403 nan 8.290 nan 0.000 0.405 124 c N 0.163 118.760 118.600 -0.006 0.000 2.413 124 c HA -0.144 4.383 4.570 -0.072 0.000 0.277 124 c C 2.933 176.959 174.090 -0.107 0.000 1.265 124 c CA 1.437 57.724 56.329 -0.070 0.000 1.752 124 c CB -1.214 41.303 42.510 0.010 0.000 1.998 124 c HN 0.594 nan 8.230 nan 0.000 0.489 125 T N 1.004 115.543 114.554 -0.025 0.000 2.701 125 T HA -0.105 4.202 4.350 -0.072 0.000 0.263 125 T C 2.158 176.823 174.700 -0.059 0.000 1.040 125 T CA 1.698 63.803 62.100 0.010 0.000 1.147 125 T CB -0.445 68.436 68.868 0.023 0.000 0.865 125 T HN 0.636 nan 8.240 nan 0.000 0.426 126 A N 0.969 123.724 122.820 -0.110 0.000 1.933 126 A HA -0.047 4.230 4.320 -0.072 0.000 0.218 126 A C 2.019 179.426 177.584 -0.296 0.000 1.175 126 A CA 1.453 53.417 52.037 -0.121 0.000 0.628 126 A CB -0.883 18.103 19.000 -0.023 0.000 0.814 126 A HN 0.504 nan 8.150 nan 0.000 0.444 127 F N 0.113 119.548 119.950 -0.859 0.000 2.128 127 F HA -0.123 4.362 4.527 -0.070 0.000 0.295 127 F C 2.375 177.950 175.800 -0.375 0.000 1.100 127 F CA 1.983 59.359 58.000 -1.040 0.000 1.260 127 F CB -0.503 37.601 39.000 -1.494 0.000 1.009 127 F HN 0.329 nan 8.300 nan 0.000 0.476 128 H N -0.107 118.676 119.070 -0.478 0.000 2.321 128 H HA -0.125 4.388 4.556 -0.071 0.000 0.300 128 H C 1.886 177.029 175.328 -0.308 0.000 1.087 128 H CA 1.749 57.537 56.048 -0.434 0.000 1.319 128 H CB -0.831 28.822 29.762 -0.181 0.000 1.379 128 H HN 0.363 nan 8.280 nan 0.000 0.501 129 D N 0.350 120.709 120.400 -0.069 0.000 2.106 129 D HA -0.145 4.452 4.640 -0.072 0.000 0.194 129 D C 0.649 176.903 176.300 -0.075 0.000 0.988 129 D CA 1.046 55.011 54.000 -0.057 0.000 0.845 129 D CB -0.027 40.757 40.800 -0.027 0.000 0.990 129 D HN 0.064 nan 8.370 nan 0.000 0.448 130 N N -0.091 118.569 118.700 -0.067 0.000 2.564 130 N HA 0.066 4.763 4.740 -0.072 0.000 0.248 130 N C -0.060 175.434 175.510 -0.028 0.000 0.986 130 N CA -0.107 52.927 53.050 -0.027 0.000 0.921 130 N CB 1.397 39.906 38.487 0.036 0.000 1.136 130 N HN 0.246 nan 8.380 nan 0.000 0.509 131 E N 2.733 122.879 120.200 -0.090 0.000 2.028 131 E HA -0.175 4.132 4.350 -0.072 0.000 0.190 131 E C 1.508 178.190 176.600 0.138 0.000 0.984 131 E CA 1.628 57.990 56.400 -0.064 0.000 0.800 131 E CB 0.235 29.827 29.700 -0.180 0.000 0.758 131 E HN 0.697 nan 8.360 nan 0.000 0.448 132 E N 0.177 120.435 120.200 0.097 0.000 2.118 132 E HA -0.209 4.098 4.350 -0.072 0.000 0.195 132 E C 1.973 178.669 176.600 0.160 0.000 0.992 132 E CA 1.907 58.380 56.400 0.123 0.000 0.804 132 E CB -1.369 28.386 29.700 0.091 0.000 0.741 132 E HN 0.332 nan 8.360 nan 0.000 0.458 133 T N -0.456 114.200 114.554 0.169 0.000 2.770 133 T HA 0.005 4.312 4.350 -0.072 0.000 0.263 133 T C 1.695 176.497 174.700 0.170 0.000 1.039 133 T CA 1.030 63.253 62.100 0.206 0.000 1.142 133 T CB -0.457 68.529 68.868 0.196 0.000 0.868 133 T HN 0.477 nan 8.240 nan 0.000 0.435 134 F N 1.528 121.499 119.950 0.036 0.000 2.236 134 F HA -0.047 4.439 4.527 -0.068 0.000 0.302 134 F C 1.705 177.521 175.800 0.026 0.000 1.073 134 F CA 1.072 59.078 58.000 0.011 0.000 1.336 134 F CB -0.332 38.700 39.000 0.054 0.000 1.040 134 F HN 0.095 nan 8.300 nan 0.000 0.507 135 L N -0.733 120.522 121.223 0.053 0.000 2.253 135 L HA -0.049 4.248 4.340 -0.072 0.000 0.205 135 L C 2.286 179.160 176.870 0.007 0.000 1.078 135 L CA 0.624 55.453 54.840 -0.018 0.000 0.805 135 L CB -0.523 41.606 42.059 0.118 0.000 0.963 135 L HN -0.091 nan 8.230 nan 0.000 0.459 136 K N 0.599 121.042 120.400 0.071 0.000 2.209 136 K HA -0.148 4.129 4.320 -0.072 0.000 0.204 136 K C 1.949 178.581 176.600 0.052 0.000 1.048 136 K CA 1.118 57.495 56.287 0.150 0.000 0.940 136 K CB 0.080 32.776 32.500 0.325 0.000 0.729 136 K HN 0.320 nan 8.250 nan 0.000 0.451 137 K N -0.433 119.818 120.400 -0.248 0.000 2.116 137 K HA -0.138 4.139 4.320 -0.072 0.000 0.203 137 K C 2.003 178.461 176.600 -0.237 0.000 1.052 137 K CA 0.976 56.966 56.287 -0.494 0.000 0.952 137 K CB -0.219 31.906 32.500 -0.625 0.000 0.729 137 K HN 0.138 nan 8.250 nan 0.000 0.446 138 Y N 2.544 122.595 120.300 -0.416 0.000 2.114 138 Y HA -0.199 4.309 4.550 -0.070 0.000 0.284 138 Y C 1.895 177.588 175.900 -0.344 0.000 1.143 138 Y CA 1.328 59.130 58.100 -0.497 0.000 1.135 138 Y CB -0.396 37.602 38.460 -0.770 0.000 0.980 138 Y HN -0.125 nan 8.280 nan 0.000 0.499 139 L N -0.815 120.278 121.223 -0.217 0.000 1.990 139 L HA -0.301 3.996 4.340 -0.072 0.000 0.213 139 L C 2.474 179.199 176.870 -0.242 0.000 1.072 139 L CA 2.143 56.831 54.840 -0.253 0.000 0.755 139 L CB -1.203 40.829 42.059 -0.044 0.000 0.889 139 L HN 0.380 nan 8.230 nan 0.000 0.432 140 Y N 1.230 121.420 120.300 -0.184 0.000 2.102 140 Y HA -0.301 4.210 4.550 -0.065 0.000 0.280 140 Y C 2.592 178.394 175.900 -0.163 0.000 1.178 140 Y CA 1.875 59.918 58.100 -0.095 0.000 1.146 140 Y CB -0.208 38.293 38.460 0.068 0.000 0.968 140 Y HN 0.180 nan 8.280 nan 0.000 0.504 141 E N -0.226 119.749 120.200 -0.375 0.000 2.274 141 E HA -0.121 4.186 4.350 -0.072 0.000 0.194 141 E C 2.170 178.512 176.600 -0.431 0.000 0.996 141 E CA 0.895 57.031 56.400 -0.440 0.000 0.840 141 E CB 0.043 29.578 29.700 -0.276 0.000 0.772 141 E HN 0.536 nan 8.360 nan 0.000 0.491 142 I N 0.445 120.713 120.570 -0.503 0.000 2.429 142 I HA -0.029 4.098 4.170 -0.072 0.000 0.247 142 I C 2.364 178.299 176.117 -0.303 0.000 1.099 142 I CA 0.660 61.693 61.300 -0.445 0.000 1.422 142 I CB -1.325 36.213 38.000 -0.769 0.000 1.112 142 I HN -0.089 nan 8.210 nan 0.000 0.430 143 A N 2.041 124.656 122.820 -0.342 0.000 1.972 143 A HA -0.208 4.069 4.320 -0.072 0.000 0.219 143 A C 2.380 179.839 177.584 -0.208 0.000 1.169 143 A CA 1.680 53.578 52.037 -0.232 0.000 0.635 143 A CB -0.628 18.241 19.000 -0.217 0.000 0.810 143 A HN 0.544 nan 8.150 nan 0.000 0.446 144 R N -1.049 119.270 120.500 -0.302 0.000 2.153 144 R HA 0.071 4.368 4.340 -0.072 0.000 0.218 144 R C 1.906 178.073 176.300 -0.222 0.000 1.072 144 R CA 1.083 57.021 56.100 -0.269 0.000 0.990 144 R CB -0.270 29.785 30.300 -0.408 0.000 0.889 144 R HN 0.407 nan 8.270 nan 0.000 0.452 145 R N -0.214 120.126 120.500 -0.267 0.000 2.173 145 R HA 0.105 4.402 4.340 -0.072 0.000 0.208 145 R C 0.166 176.196 176.300 -0.450 0.000 1.035 145 R CA 0.514 56.406 56.100 -0.347 0.000 1.004 145 R CB 0.316 30.367 30.300 -0.415 0.000 0.917 145 R HN 0.331 nan 8.270 nan 0.000 0.462 146 H N 0.804 119.848 119.070 -0.044 0.000 2.340 146 H HA 0.173 4.683 4.556 -0.078 0.000 0.233 146 H C -1.896 173.461 175.328 0.049 0.000 1.435 146 H CA -1.970 54.119 56.048 0.068 0.000 1.389 146 H CB 1.181 31.064 29.762 0.202 0.000 1.491 146 H HN 0.061 nan 8.280 nan 0.000 0.518 147 P HA -0.185 nan 4.420 nan 0.000 0.224 147 P C 0.300 177.402 177.300 -0.331 0.000 1.142 147 P CA 1.314 64.301 63.100 -0.188 0.000 0.778 147 P CB 0.080 31.612 31.700 -0.280 0.000 0.764 148 Y N -3.083 117.282 120.300 0.110 0.000 2.557 148 Y HA 0.299 4.808 4.550 -0.068 0.000 0.247 148 Y C 0.970 176.960 175.900 0.149 0.000 1.164 148 Y CA -1.062 57.095 58.100 0.094 0.000 1.218 148 Y CB -0.406 38.083 38.460 0.049 0.000 1.210 148 Y HN -0.236 nan 8.280 nan 0.000 0.529 149 F N 1.281 121.323 119.950 0.153 0.000 2.623 149 F HA -0.110 4.413 4.527 -0.007 0.000 0.383 149 F C 0.478 176.397 175.800 0.198 0.000 1.077 149 F CA -0.636 57.440 58.000 0.127 0.000 1.268 149 F CB 0.166 39.185 39.000 0.032 0.000 1.053 149 F HN 0.101 nan 8.300 nan 0.000 0.571 150 Y N 7.586 127.959 120.300 0.122 0.000 2.783 150 Y HA 0.199 4.708 4.550 -0.068 0.000 0.359 150 Y C 1.086 177.190 175.900 0.340 0.000 1.220 150 Y CA -0.581 57.637 58.100 0.197 0.000 1.649 150 Y CB -0.234 38.304 38.460 0.129 0.000 1.273 150 Y HN 0.758 nan 8.280 nan 0.000 0.506 151 A N 7.433 130.398 122.820 0.241 0.000 1.882 151 A HA -0.264 4.013 4.320 -0.072 0.000 0.220 151 A C -0.201 177.360 177.584 -0.039 0.000 1.253 151 A CA 2.255 54.337 52.037 0.074 0.000 0.664 151 A CB -1.893 17.105 19.000 -0.005 0.000 0.838 151 A HN 0.649 nan 8.150 nan 0.000 0.460 152 P HA -0.155 nan 4.420 nan 0.000 0.216 152 P C 1.326 178.561 177.300 -0.108 0.000 1.150 152 P CA 1.741 64.690 63.100 -0.252 0.000 0.843 152 P CB -0.004 31.428 31.700 -0.447 0.000 0.787 153 E N -1.050 119.082 120.200 -0.114 0.000 2.285 153 E HA -0.095 4.212 4.350 -0.072 0.000 0.194 153 E C 1.633 178.611 176.600 0.631 0.000 0.997 153 E CA 0.349 56.917 56.400 0.281 0.000 0.845 153 E CB -0.984 28.985 29.700 0.450 0.000 0.782 153 E HN 0.020 nan 8.360 nan 0.000 0.491 154 L N -0.064 121.465 121.223 0.509 0.000 2.217 154 L HA 0.044 4.341 4.340 -0.072 0.000 0.211 154 L C 1.679 178.698 176.870 0.249 0.000 1.107 154 L CA 1.326 56.369 54.840 0.338 0.000 0.783 154 L CB -0.178 41.861 42.059 -0.034 0.000 0.919 154 L HN 0.223 nan 8.230 nan 0.000 0.442 155 L N -1.859 119.476 121.223 0.187 0.000 2.217 155 L HA -0.162 4.135 4.340 -0.072 0.000 0.211 155 L C 2.320 179.286 176.870 0.159 0.000 1.107 155 L CA 0.868 55.787 54.840 0.132 0.000 0.783 155 L CB -0.544 41.563 42.059 0.080 0.000 0.919 155 L HN 0.312 nan 8.230 nan 0.000 0.442 156 F N 0.387 120.367 119.950 0.050 0.000 2.163 156 F HA -0.174 4.307 4.527 -0.078 0.000 0.297 156 F C 2.058 177.798 175.800 -0.101 0.000 1.094 156 F CA 1.334 59.290 58.000 -0.073 0.000 1.290 156 F CB -0.307 38.575 39.000 -0.197 0.000 1.017 156 F HN -0.123 nan 8.300 nan 0.000 0.483 157 F N 0.534 120.473 119.950 -0.018 0.000 2.186 157 F HA -0.048 4.439 4.527 -0.067 0.000 0.299 157 F C 2.582 178.325 175.800 -0.095 0.000 1.090 157 F CA 1.164 59.110 58.000 -0.090 0.000 1.307 157 F CB -1.269 37.826 39.000 0.159 0.000 1.019 157 F HN 0.087 nan 8.300 nan 0.000 0.489 158 A N 0.690 123.613 122.820 0.172 0.000 1.851 158 A HA -0.263 4.014 4.320 -0.072 0.000 0.216 158 A C 2.386 179.961 177.584 -0.016 0.000 1.195 158 A CA 2.938 55.014 52.037 0.065 0.000 0.622 158 A CB -1.389 17.679 19.000 0.114 0.000 0.831 158 A HN 0.303 nan 8.150 nan 0.000 0.444 159 K N -0.205 120.160 120.400 -0.057 0.000 2.063 159 K HA -0.129 4.148 4.320 -0.072 0.000 0.208 159 K C 2.223 178.738 176.600 -0.141 0.000 1.048 159 K CA 1.840 58.081 56.287 -0.076 0.000 0.928 159 K CB -0.678 31.769 32.500 -0.088 0.000 0.713 159 K HN 0.588 nan 8.250 nan 0.000 0.442 160 R N -1.827 118.499 120.500 -0.290 0.000 2.115 160 R HA -0.067 4.230 4.340 -0.072 0.000 0.230 160 R C 2.235 178.445 176.300 -0.150 0.000 1.111 160 R CA 1.479 57.396 56.100 -0.306 0.000 0.976 160 R CB -0.337 29.639 30.300 -0.539 0.000 0.870 160 R HN 0.675 nan 8.270 nan 0.000 0.445 161 Y N 0.959 121.115 120.300 -0.240 0.000 2.220 161 Y HA -0.150 4.358 4.550 -0.071 0.000 0.291 161 Y C 2.218 178.050 175.900 -0.113 0.000 1.129 161 Y CA 1.563 59.515 58.100 -0.247 0.000 1.161 161 Y CB 0.075 38.165 38.460 -0.618 0.000 0.997 161 Y HN -0.111 nan 8.280 nan 0.000 0.522 162 K N -0.070 120.346 120.400 0.028 0.000 2.026 162 K HA -0.195 4.082 4.320 -0.072 0.000 0.208 162 K C 2.242 178.813 176.600 -0.049 0.000 1.048 162 K CA 1.170 57.482 56.287 0.041 0.000 0.929 162 K CB -0.388 32.191 32.500 0.131 0.000 0.713 162 K HN 0.374 nan 8.250 nan 0.000 0.439 163 A N 1.045 123.826 122.820 -0.064 0.000 1.978 163 A HA -0.175 4.102 4.320 -0.072 0.000 0.220 163 A C 2.234 179.729 177.584 -0.149 0.000 1.170 163 A CA 1.967 53.957 52.037 -0.078 0.000 0.636 163 A CB -0.649 18.299 19.000 -0.088 0.000 0.810 163 A HN 0.477 nan 8.150 nan 0.000 0.448 164 A N -0.836 121.837 122.820 -0.246 0.000 1.845 164 A HA -0.005 4.272 4.320 -0.072 0.000 0.215 164 A C 1.968 179.272 177.584 -0.466 0.000 1.195 164 A CA 1.590 53.398 52.037 -0.381 0.000 0.616 164 A CB -0.843 17.824 19.000 -0.556 0.000 0.832 164 A HN 0.466 nan 8.150 nan 0.000 0.443 165 F N 0.572 120.174 119.950 -0.579 0.000 2.134 165 F HA -0.134 4.349 4.527 -0.074 0.000 0.299 165 F C 2.807 178.310 175.800 -0.495 0.000 1.097 165 F CA 1.874 59.437 58.000 -0.729 0.000 1.264 165 F CB -0.923 37.215 39.000 -1.438 0.000 1.001 165 F HN 0.132 nan 8.300 nan 0.000 0.479 166 T N -0.855 113.605 114.554 -0.157 0.000 2.803 166 T HA -0.244 4.063 4.350 -0.072 0.000 0.269 166 T C 1.838 176.593 174.700 0.092 0.000 1.052 166 T CA 1.723 63.932 62.100 0.181 0.000 1.136 166 T CB -0.238 68.760 68.868 0.217 0.000 0.864 166 T HN 0.390 nan 8.240 nan 0.000 0.467 167 E N -0.593 119.591 120.200 -0.026 0.000 2.099 167 E HA -0.039 4.268 4.350 -0.072 0.000 0.191 167 E C 2.080 178.648 176.600 -0.054 0.000 0.962 167 E CA 0.517 56.898 56.400 -0.032 0.000 0.826 167 E CB -0.009 29.652 29.700 -0.064 0.000 0.788 167 E HN 0.402 nan 8.360 nan 0.000 0.461 168 c N 0.536 119.055 118.600 -0.134 0.000 2.448 168 c HA -0.003 4.524 4.570 -0.072 0.000 0.280 168 c C 2.526 176.561 174.090 -0.091 0.000 1.398 168 c CA 0.023 56.265 56.329 -0.146 0.000 1.774 168 c CB -0.841 41.512 42.510 -0.261 0.000 1.888 168 c HN 0.612 nan 8.230 nan 0.000 0.519 169 c N 1.109 119.679 118.600 -0.051 0.000 2.522 169 c HA -0.030 4.497 4.570 -0.072 0.000 0.271 169 c C 1.695 175.861 174.090 0.126 0.000 1.425 169 c CA 0.523 56.872 56.329 0.033 0.000 1.751 169 c CB -1.917 40.602 42.510 0.014 0.000 1.775 169 c HN 0.765 nan 8.230 nan 0.000 0.557 170 Q N -0.346 119.511 119.800 0.096 0.000 2.324 170 Q HA 0.672 4.969 4.340 -0.072 0.000 0.373 170 Q C -0.425 175.598 176.000 0.038 0.000 0.909 170 Q CA -0.119 55.737 55.803 0.090 0.000 1.135 170 Q CB 0.519 29.321 28.738 0.106 0.000 1.313 170 Q HN 0.382 nan 8.270 nan 0.000 0.417 171 A N 0.164 122.996 122.820 0.019 0.000 2.475 171 A HA 0.873 5.150 4.320 -0.072 0.000 0.281 171 A C 0.571 178.155 177.584 0.000 0.000 1.263 171 A CA -0.176 51.862 52.037 0.001 0.000 0.776 171 A CB 0.545 19.534 19.000 -0.018 0.000 1.347 171 A HN 0.364 nan 8.150 nan 0.000 0.443 172 A N -0.977 121.839 122.820 -0.006 0.000 1.845 172 A HA 0.346 4.623 4.320 -0.072 0.000 0.215 172 A C 1.081 178.661 177.584 -0.007 0.000 1.195 172 A CA 2.335 54.369 52.037 -0.005 0.000 0.616 172 A CB -0.921 18.075 19.000 -0.007 0.000 0.832 172 A HN 1.686 nan 8.150 nan 0.000 0.443 173 D N -0.511 119.881 120.400 -0.015 0.000 2.420 173 D HA 0.534 5.131 4.640 -0.072 0.000 0.255 173 D C 0.608 176.889 176.300 -0.033 0.000 1.185 173 D CA -0.076 53.913 54.000 -0.018 0.000 0.904 173 D CB 0.346 41.136 40.800 -0.018 0.000 1.102 173 D HN 0.443 nan 8.370 nan 0.000 0.534 174 K N 0.751 121.130 120.400 -0.034 0.000 2.002 174 K HA -0.033 4.244 4.320 -0.072 0.000 0.209 174 K C 2.822 179.376 176.600 -0.076 0.000 1.048 174 K CA 1.394 57.644 56.287 -0.062 0.000 0.930 174 K CB -0.166 32.303 32.500 -0.051 0.000 0.714 174 K HN 0.456 nan 8.250 nan 0.000 0.438 175 A N 1.949 124.739 122.820 -0.051 0.000 1.940 175 A HA -0.286 3.991 4.320 -0.072 0.000 0.221 175 A C 2.454 180.005 177.584 -0.055 0.000 1.190 175 A CA 2.456 54.465 52.037 -0.047 0.000 0.647 175 A CB -0.957 18.029 19.000 -0.023 0.000 0.821 175 A HN 0.431 nan 8.150 nan 0.000 0.457 176 A N -1.972 120.820 122.820 -0.048 0.000 1.968 176 A HA -0.078 4.199 4.320 -0.072 0.000 0.217 176 A C 2.373 179.919 177.584 -0.063 0.000 1.169 176 A CA 1.578 53.588 52.037 -0.045 0.000 0.638 176 A CB -1.123 17.857 19.000 -0.033 0.000 0.812 176 A HN 0.860 nan 8.150 nan 0.000 0.446 177 c N -1.616 116.935 118.600 -0.081 0.000 2.505 177 c HA 0.292 4.819 4.570 -0.072 0.000 0.279 177 c C 2.874 176.870 174.090 -0.158 0.000 1.316 177 c CA 1.295 57.561 56.329 -0.105 0.000 1.720 177 c CB -1.035 41.414 42.510 -0.102 0.000 2.050 177 c HN 0.614 nan 8.230 nan 0.000 0.493 178 L N 0.571 121.674 121.223 -0.200 0.000 2.062 178 L HA 0.256 4.553 4.340 -0.072 0.000 0.202 178 L C 2.541 179.276 176.870 -0.225 0.000 1.079 178 L CA 2.002 56.659 54.840 -0.304 0.000 0.755 178 L CB -1.773 40.032 42.059 -0.424 0.000 0.913 178 L HN 0.495 nan 8.230 nan 0.000 0.445 179 L N -0.273 120.861 121.223 -0.148 0.000 2.058 179 L HA -0.283 4.014 4.340 -0.072 0.000 0.226 179 L C 0.648 177.480 176.870 -0.063 0.000 1.089 179 L CA 2.356 57.147 54.840 -0.083 0.000 0.799 179 L CB -1.840 40.191 42.059 -0.046 0.000 0.900 179 L HN 0.343 nan 8.230 nan 0.000 0.442 180 P HA -0.169 nan 4.420 nan 0.000 0.213 180 P C 1.375 178.650 177.300 -0.042 0.000 1.170 180 P CA 1.409 64.486 63.100 -0.039 0.000 0.898 180 P CB -0.015 31.661 31.700 -0.040 0.000 0.787 181 K N -0.668 119.683 120.400 -0.081 0.000 2.160 181 K HA -0.133 4.144 4.320 -0.072 0.000 0.206 181 K C 2.029 178.587 176.600 -0.070 0.000 1.047 181 K CA 1.150 57.383 56.287 -0.089 0.000 0.930 181 K CB -0.691 31.714 32.500 -0.158 0.000 0.720 181 K HN 0.167 nan 8.250 nan 0.000 0.450 182 L N 0.677 121.847 121.223 -0.089 0.000 2.131 182 L HA -0.153 4.144 4.340 -0.072 0.000 0.206 182 L C 1.782 178.691 176.870 0.066 0.000 1.087 182 L CA 0.843 55.676 54.840 -0.012 0.000 0.767 182 L CB -0.285 41.755 42.059 -0.031 0.000 0.917 182 L HN 0.150 nan 8.230 nan 0.000 0.441 183 D N 0.036 120.459 120.400 0.039 0.000 2.117 183 D HA -0.228 4.369 4.640 -0.072 0.000 0.198 183 D C 1.967 178.312 176.300 0.076 0.000 0.982 183 D CA 1.147 55.181 54.000 0.058 0.000 0.828 183 D CB 0.028 40.851 40.800 0.038 0.000 0.967 183 D HN 0.352 nan 8.370 nan 0.000 0.464 184 E N 0.213 120.452 120.200 0.066 0.000 2.153 184 E HA -0.121 4.186 4.350 -0.072 0.000 0.194 184 E C 2.226 178.910 176.600 0.140 0.000 0.988 184 E CA 0.430 56.882 56.400 0.087 0.000 0.811 184 E CB 0.028 29.766 29.700 0.063 0.000 0.746 184 E HN 0.226 nan 8.360 nan 0.000 0.466 185 L N 0.203 121.519 121.223 0.155 0.000 2.095 185 L HA -0.081 4.216 4.340 -0.072 0.000 0.204 185 L C 2.838 179.829 176.870 0.201 0.000 1.080 185 L CA 0.931 55.919 54.840 0.247 0.000 0.759 185 L CB -0.385 41.841 42.059 0.279 0.000 0.914 185 L HN 0.128 nan 8.230 nan 0.000 0.439 186 R N 0.442 121.035 120.500 0.155 0.000 2.080 186 R HA -0.204 4.093 4.340 -0.072 0.000 0.236 186 R C 1.774 178.124 176.300 0.083 0.000 1.137 186 R CA 2.222 58.389 56.100 0.111 0.000 0.943 186 R CB -0.292 30.071 30.300 0.106 0.000 0.846 186 R HN 0.277 nan 8.270 nan 0.000 0.431 187 D N 0.391 120.848 120.400 0.096 0.000 2.078 187 D HA -0.212 4.385 4.640 -0.072 0.000 0.193 187 D C 1.763 178.119 176.300 0.093 0.000 0.990 187 D CA 1.638 55.690 54.000 0.088 0.000 0.827 187 D CB -0.503 40.352 40.800 0.091 0.000 0.975 187 D HN 0.469 nan 8.370 nan 0.000 0.451 188 E N 0.329 120.619 120.200 0.149 0.000 2.219 188 E HA -0.151 4.156 4.350 -0.072 0.000 0.198 188 E C 1.988 178.696 176.600 0.180 0.000 0.998 188 E CA 1.343 57.877 56.400 0.223 0.000 0.818 188 E CB -0.251 29.669 29.700 0.367 0.000 0.741 188 E HN 0.277 nan 8.360 nan 0.000 0.477 189 G N 0.561 109.361 108.800 -0.000 0.000 2.421 189 G HA2 -0.197 3.720 3.960 -0.072 0.000 0.217 189 G HA3 -0.197 3.720 3.960 -0.072 0.000 0.217 189 G C 1.430 176.234 174.900 -0.159 0.000 1.143 189 G CA 0.547 45.473 45.100 -0.290 0.000 0.784 189 G HN 0.164 nan 8.290 nan 0.000 0.541 190 K N 0.575 120.922 120.400 -0.088 0.000 2.062 190 K HA 0.161 4.438 4.320 -0.072 0.000 0.205 190 K C 2.950 179.507 176.600 -0.071 0.000 1.051 190 K CA 0.794 57.029 56.287 -0.087 0.000 0.941 190 K CB -0.169 32.343 32.500 0.020 0.000 0.719 190 K HN 0.226 nan 8.250 nan 0.000 0.440 191 A N 1.258 124.065 122.820 -0.021 0.000 1.865 191 A HA -0.254 4.023 4.320 -0.072 0.000 0.217 191 A C 2.273 179.815 177.584 -0.070 0.000 1.191 191 A CA 2.289 54.312 52.037 -0.024 0.000 0.623 191 A CB -1.042 17.956 19.000 -0.003 0.000 0.826 191 A HN 0.292 nan 8.150 nan 0.000 0.444 192 S N -0.673 114.988 115.700 -0.065 0.000 2.359 192 S HA -0.214 4.213 4.470 -0.072 0.000 0.223 192 S C 2.371 176.744 174.600 -0.378 0.000 1.039 192 S CA 2.254 60.370 58.200 -0.140 0.000 1.042 192 S CB -0.600 62.578 63.200 -0.037 0.000 0.915 192 S HN 0.717 nan 8.310 nan 0.000 0.439 193 S N 0.680 116.050 115.700 -0.550 0.000 2.370 193 S HA -0.102 4.325 4.470 -0.072 0.000 0.226 193 S C 2.046 176.524 174.600 -0.204 0.000 1.033 193 S CA 1.669 59.571 58.200 -0.497 0.000 1.011 193 S CB -0.891 62.046 63.200 -0.437 0.000 0.852 193 S HN 0.717 nan 8.310 nan 0.000 0.457 194 A N 1.524 124.265 122.820 -0.132 0.000 1.845 194 A HA -0.111 4.166 4.320 -0.072 0.000 0.215 194 A C 2.140 179.665 177.584 -0.099 0.000 1.195 194 A CA 1.789 53.785 52.037 -0.067 0.000 0.616 194 A CB -0.791 18.202 19.000 -0.011 0.000 0.832 194 A HN 0.643 nan 8.150 nan 0.000 0.443 195 K N -1.091 119.243 120.400 -0.111 0.000 2.074 195 K HA -0.268 4.009 4.320 -0.072 0.000 0.209 195 K C 2.382 178.869 176.600 -0.188 0.000 1.048 195 K CA 1.889 58.096 56.287 -0.133 0.000 0.926 195 K CB -0.164 32.276 32.500 -0.100 0.000 0.713 195 K HN 0.497 nan 8.250 nan 0.000 0.444 196 Q N 1.100 120.788 119.800 -0.188 0.000 2.119 196 Q HA -0.147 4.150 4.340 -0.072 0.000 0.201 196 Q C 1.936 177.839 176.000 -0.162 0.000 0.972 196 Q CA 1.473 57.160 55.803 -0.193 0.000 0.847 196 Q CB -0.097 28.555 28.738 -0.144 0.000 0.903 196 Q HN 0.048 nan 8.270 nan 0.000 0.433 197 R N -0.325 120.093 120.500 -0.137 0.000 2.105 197 R HA -0.113 4.184 4.340 -0.072 0.000 0.239 197 R C 1.905 178.082 176.300 -0.205 0.000 1.135 197 R CA 1.221 57.218 56.100 -0.172 0.000 0.967 197 R CB -0.800 29.425 30.300 -0.125 0.000 0.861 197 R HN 0.413 nan 8.270 nan 0.000 0.442 198 L N 0.738 121.846 121.223 -0.193 0.000 2.056 198 L HA -0.073 4.224 4.340 -0.072 0.000 0.207 198 L C 1.580 178.304 176.870 -0.243 0.000 1.078 198 L CA 1.873 56.587 54.840 -0.210 0.000 0.749 198 L CB -0.411 41.502 42.059 -0.242 0.000 0.901 198 L HN 0.091 nan 8.230 nan 0.000 0.433 199 K N -1.198 119.030 120.400 -0.286 0.000 2.097 199 K HA -0.167 4.110 4.320 -0.072 0.000 0.206 199 K C 2.083 178.598 176.600 -0.141 0.000 1.049 199 K CA 1.668 57.816 56.287 -0.232 0.000 0.933 199 K CB -0.484 31.815 32.500 -0.335 0.000 0.717 199 K HN 0.445 nan 8.250 nan 0.000 0.442 200 c N 0.309 118.813 118.600 -0.158 0.000 2.457 200 c HA 0.035 4.562 4.570 -0.072 0.000 0.278 200 c C 2.879 176.892 174.090 -0.129 0.000 1.309 200 c CA 0.487 56.739 56.329 -0.128 0.000 1.735 200 c CB -0.722 41.704 42.510 -0.140 0.000 1.992 200 c HN 0.514 nan 8.230 nan 0.000 0.493 201 A N 0.941 123.670 122.820 -0.151 0.000 1.877 201 A HA -0.152 4.125 4.320 -0.072 0.000 0.216 201 A C 2.257 179.857 177.584 0.026 0.000 1.186 201 A CA 2.365 54.344 52.037 -0.097 0.000 0.620 201 A CB -0.888 18.066 19.000 -0.077 0.000 0.822 201 A HN 0.541 nan 8.150 nan 0.000 0.443 202 S N 0.056 115.807 115.700 0.085 0.000 2.351 202 S HA -0.172 4.255 4.470 -0.072 0.000 0.220 202 S C 1.893 176.609 174.600 0.194 0.000 1.035 202 S CA 1.626 59.970 58.200 0.240 0.000 1.031 202 S CB -0.638 62.630 63.200 0.113 0.000 0.928 202 S HN 0.478 nan 8.310 nan 0.000 0.433 203 L N 1.169 122.441 121.223 0.081 0.000 1.990 203 L HA -0.251 4.046 4.340 -0.072 0.000 0.213 203 L C 2.887 179.765 176.870 0.013 0.000 1.072 203 L CA 1.617 56.466 54.840 0.015 0.000 0.755 203 L CB -0.561 41.422 42.059 -0.127 0.000 0.889 203 L HN 0.389 nan 8.230 nan 0.000 0.432 204 Q N -0.499 119.289 119.800 -0.020 0.000 2.079 204 Q HA -0.195 4.102 4.340 -0.072 0.000 0.200 204 Q C 2.141 178.079 176.000 -0.103 0.000 0.974 204 Q CA 1.443 57.222 55.803 -0.040 0.000 0.840 204 Q CB 0.072 28.783 28.738 -0.045 0.000 0.898 204 Q HN 0.448 nan 8.270 nan 0.000 0.430 205 K N -0.965 119.321 120.400 -0.190 0.000 2.284 205 K HA 0.052 4.329 4.320 -0.072 0.000 0.198 205 K C 0.963 177.164 176.600 -0.666 0.000 1.048 205 K CA 0.553 56.570 56.287 -0.450 0.000 0.987 205 K CB 0.445 32.577 32.500 -0.613 0.000 0.800 205 K HN 0.083 nan 8.250 nan 0.000 0.486 206 F N 0.265 120.217 119.950 0.002 0.000 2.706 206 F HA 0.291 4.767 4.527 -0.084 0.000 0.308 206 F C 0.793 176.614 175.800 0.035 0.000 1.095 206 F CA -0.014 57.996 58.000 0.017 0.000 1.244 206 F CB 1.045 40.054 39.000 0.016 0.000 1.063 206 F HN 0.019 nan 8.300 nan 0.000 0.582 207 G N 1.426 110.318 108.800 0.153 0.000 2.692 207 G HA2 -0.212 3.705 3.960 -0.072 0.000 0.686 207 G HA3 -0.212 3.705 3.960 -0.072 0.000 0.686 207 G C 0.613 175.608 174.900 0.157 0.000 1.243 207 G CA -0.194 44.980 45.100 0.123 0.000 0.782 207 G HN 0.451 nan 8.290 nan 0.000 0.625 208 E N 0.506 120.780 120.200 0.122 0.000 2.267 208 E HA -0.195 4.112 4.350 -0.072 0.000 0.197 208 E C 2.161 178.887 176.600 0.210 0.000 0.998 208 E CA 1.224 57.718 56.400 0.158 0.000 0.830 208 E CB 0.033 29.792 29.700 0.098 0.000 0.751 208 E HN 0.636 nan 8.360 nan 0.000 0.491 209 R N 0.715 121.314 120.500 0.165 0.000 2.081 209 R HA -0.120 4.177 4.340 -0.072 0.000 0.235 209 R C 2.298 178.699 176.300 0.168 0.000 1.131 209 R CA 1.397 57.589 56.100 0.154 0.000 0.960 209 R CB -0.331 30.044 30.300 0.124 0.000 0.856 209 R HN 0.317 nan 8.270 nan 0.000 0.436 210 A N 0.325 123.253 122.820 0.180 0.000 1.898 210 A HA -0.183 4.094 4.320 -0.072 0.000 0.216 210 A C 1.969 179.661 177.584 0.179 0.000 1.181 210 A CA 1.188 53.314 52.037 0.147 0.000 0.620 210 A CB -0.760 18.327 19.000 0.145 0.000 0.819 210 A HN 0.511 nan 8.150 nan 0.000 0.442 211 F N 0.744 120.752 119.950 0.097 0.000 2.134 211 F HA -0.156 4.318 4.527 -0.088 0.000 0.299 211 F C 2.168 178.081 175.800 0.190 0.000 1.097 211 F CA 2.152 60.221 58.000 0.115 0.000 1.264 211 F CB -0.125 38.919 39.000 0.073 0.000 1.001 211 F HN 0.117 nan 8.300 nan 0.000 0.479 212 K N 0.203 120.780 120.400 0.295 0.000 2.032 212 K HA -0.179 4.098 4.320 -0.072 0.000 0.209 212 K C 2.335 178.974 176.600 0.064 0.000 1.048 212 K CA 1.342 57.738 56.287 0.182 0.000 0.927 212 K CB -0.642 31.971 32.500 0.189 0.000 0.712 212 K HN 0.356 nan 8.250 nan 0.000 0.441 213 A N 0.790 123.662 122.820 0.086 0.000 1.908 213 A HA -0.219 4.058 4.320 -0.072 0.000 0.218 213 A C 1.947 179.534 177.584 0.005 0.000 1.181 213 A CA 1.578 53.650 52.037 0.058 0.000 0.627 213 A CB -1.013 18.032 19.000 0.074 0.000 0.818 213 A HN 0.626 nan 8.150 nan 0.000 0.445 214 W N 0.631 121.816 121.300 -0.192 0.000 2.338 214 W HA -0.138 4.497 4.660 -0.041 0.000 0.304 214 W C 2.410 178.753 176.519 -0.295 0.000 1.212 214 W CA 2.218 59.409 57.345 -0.258 0.000 1.264 214 W CB -0.208 29.041 29.460 -0.350 0.000 1.142 214 W HN 0.356 nan 8.180 nan 0.000 0.512 215 A N -0.419 122.228 122.820 -0.288 0.000 1.930 215 A HA -0.127 4.150 4.320 -0.072 0.000 0.217 215 A C 2.029 179.437 177.584 -0.294 0.000 1.175 215 A CA 2.064 53.868 52.037 -0.387 0.000 0.627 215 A CB -1.158 17.718 19.000 -0.207 0.000 0.815 215 A HN 0.164 nan 8.150 nan 0.000 0.443 216 V N -0.031 119.788 119.914 -0.158 0.000 2.233 216 V HA -0.278 3.799 4.120 -0.072 0.000 0.247 216 V C 3.096 179.121 176.094 -0.115 0.000 1.050 216 V CA 2.126 64.383 62.300 -0.071 0.000 1.010 216 V CB -1.307 30.536 31.823 0.034 0.000 0.637 216 V HN 0.612 nan 8.190 nan 0.000 0.444 217 A N 0.129 122.842 122.820 -0.179 0.000 1.883 217 A HA -0.279 3.997 4.320 -0.072 0.000 0.217 217 A C 2.299 179.682 177.584 -0.335 0.000 1.186 217 A CA 2.360 54.266 52.037 -0.220 0.000 0.624 217 A CB -0.572 18.295 19.000 -0.221 0.000 0.822 217 A HN 0.462 nan 8.150 nan 0.000 0.444 218 R N 0.027 120.196 120.500 -0.553 0.000 2.075 218 R HA 0.037 4.334 4.340 -0.072 0.000 0.232 218 R C 1.894 177.885 176.300 -0.515 0.000 1.126 218 R CA 1.615 57.323 56.100 -0.653 0.000 0.963 218 R CB -0.793 28.813 30.300 -1.156 0.000 0.858 218 R HN 0.513 nan 8.270 nan 0.000 0.435 219 L N -0.241 120.713 121.223 -0.449 0.000 2.156 219 L HA -0.053 4.244 4.340 -0.072 0.000 0.208 219 L C 2.110 178.810 176.870 -0.283 0.000 1.095 219 L CA 1.309 55.899 54.840 -0.418 0.000 0.770 219 L CB -0.315 41.618 42.059 -0.210 0.000 0.914 219 L HN 0.199 nan 8.230 nan 0.000 0.439 220 S N -0.684 114.929 115.700 -0.145 0.000 2.423 220 S HA -0.165 4.262 4.470 -0.072 0.000 0.231 220 S C 1.896 176.392 174.600 -0.172 0.000 1.014 220 S CA 0.955 59.118 58.200 -0.062 0.000 0.965 220 S CB -0.049 63.140 63.200 -0.018 0.000 0.785 220 S HN 0.448 nan 8.310 nan 0.000 0.495 221 Q N 0.526 120.187 119.800 -0.231 0.000 2.083 221 Q HA 0.005 4.302 4.340 -0.072 0.000 0.198 221 Q C 2.416 178.283 176.000 -0.221 0.000 0.969 221 Q CA 0.907 56.578 55.803 -0.219 0.000 0.838 221 Q CB -0.092 28.512 28.738 -0.224 0.000 0.900 221 Q HN 0.385 nan 8.270 nan 0.000 0.436 222 R N -0.221 120.072 120.500 -0.345 0.000 2.073 222 R HA -0.053 4.244 4.340 -0.072 0.000 0.229 222 R C -0.045 176.139 176.300 -0.193 0.000 1.120 222 R CA 0.814 56.658 56.100 -0.426 0.000 0.967 222 R CB 0.319 30.116 30.300 -0.838 0.000 0.862 222 R HN 0.059 nan 8.270 nan 0.000 0.436 223 F N 0.648 120.566 119.950 -0.053 0.000 2.434 223 F HA 0.394 4.880 4.527 -0.068 0.000 0.316 223 F C -1.957 173.834 175.800 -0.016 0.000 1.222 223 F CA -3.392 54.595 58.000 -0.021 0.000 1.207 223 F CB 1.146 40.152 39.000 0.009 0.000 1.466 223 F HN -0.053 nan 8.300 nan 0.000 0.545 224 P HA -0.173 nan 4.420 nan 0.000 0.216 224 P C 1.202 178.519 177.300 0.028 0.000 1.150 224 P CA 1.706 64.797 63.100 -0.014 0.000 0.837 224 P CB 0.255 31.920 31.700 -0.057 0.000 0.786 225 K N -0.907 119.536 120.400 0.070 0.000 2.365 225 K HA 0.200 4.477 4.320 -0.072 0.000 0.197 225 K C 1.043 177.714 176.600 0.118 0.000 1.042 225 K CA -0.031 56.298 56.287 0.070 0.000 0.987 225 K CB -0.165 32.357 32.500 0.037 0.000 0.779 225 K HN 0.084 nan 8.250 nan 0.000 0.484 226 A N 2.124 125.045 122.820 0.167 0.000 2.425 226 A HA 0.035 4.312 4.320 -0.072 0.000 0.242 226 A C 0.058 177.804 177.584 0.271 0.000 1.077 226 A CA -0.137 52.007 52.037 0.178 0.000 0.781 226 A CB 0.294 19.413 19.000 0.199 0.000 1.020 226 A HN 0.042 nan 8.150 nan 0.000 0.494 227 E N 0.673 120.968 120.200 0.158 0.000 2.313 227 E HA 0.174 4.481 4.350 -0.072 0.000 0.272 227 E C 0.570 177.130 176.600 -0.068 0.000 1.038 227 E CA -0.491 55.977 56.400 0.113 0.000 0.863 227 E CB 0.600 30.344 29.700 0.072 0.000 1.060 227 E HN 0.604 nan 8.360 nan 0.000 0.402 228 F N 2.658 122.276 119.950 -0.553 0.000 2.115 228 F HA -0.306 4.179 4.527 -0.072 0.000 0.300 228 F C 1.855 177.484 175.800 -0.285 0.000 1.092 228 F CA 2.300 59.833 58.000 -0.778 0.000 1.245 228 F CB -0.103 38.444 39.000 -0.756 0.000 0.995 228 F HN 0.556 nan 8.300 nan 0.000 0.481 229 A N -0.911 121.806 122.820 -0.171 0.000 2.066 229 A HA -0.127 4.150 4.320 -0.072 0.000 0.218 229 A C 2.013 179.504 177.584 -0.154 0.000 1.157 229 A CA 1.554 53.491 52.037 -0.167 0.000 0.670 229 A CB -0.666 18.330 19.000 -0.007 0.000 0.804 229 A HN 0.468 nan 8.150 nan 0.000 0.453 230 E N -0.127 120.015 120.200 -0.096 0.000 2.033 230 E HA -0.062 4.245 4.350 -0.072 0.000 0.189 230 E C 1.893 178.467 176.600 -0.044 0.000 0.979 230 E CA 1.342 57.729 56.400 -0.021 0.000 0.802 230 E CB -0.409 29.312 29.700 0.035 0.000 0.763 230 E HN 0.187 nan 8.360 nan 0.000 0.449 231 V N 0.592 120.463 119.914 -0.072 0.000 2.255 231 V HA -0.308 3.769 4.120 -0.072 0.000 0.247 231 V C 2.321 178.320 176.094 -0.158 0.000 1.051 231 V CA 2.118 64.392 62.300 -0.044 0.000 1.018 231 V CB -0.828 30.986 31.823 -0.015 0.000 0.641 231 V HN 0.255 nan 8.190 nan 0.000 0.445 232 S N -0.552 114.924 115.700 -0.372 0.000 2.387 232 S HA -0.283 4.144 4.470 -0.072 0.000 0.230 232 S C 2.059 176.556 174.600 -0.171 0.000 1.035 232 S CA 1.788 59.776 58.200 -0.353 0.000 1.014 232 S CB -0.365 62.523 63.200 -0.519 0.000 0.836 232 S HN 0.498 nan 8.310 nan 0.000 0.466 233 K N 1.428 121.742 120.400 -0.143 0.000 2.025 233 K HA 0.026 4.303 4.320 -0.072 0.000 0.207 233 K C 2.040 178.577 176.600 -0.106 0.000 1.049 233 K CA 1.027 57.241 56.287 -0.121 0.000 0.933 233 K CB -0.546 31.875 32.500 -0.132 0.000 0.714 233 K HN 0.362 nan 8.250 nan 0.000 0.438 234 L N 0.727 121.915 121.223 -0.057 0.000 1.989 234 L HA -0.206 4.091 4.340 -0.072 0.000 0.211 234 L C 2.582 179.475 176.870 0.038 0.000 1.071 234 L CA 1.150 55.995 54.840 0.008 0.000 0.749 234 L CB -0.677 41.448 42.059 0.110 0.000 0.890 234 L HN -0.068 nan 8.230 nan 0.000 0.431 235 V N -0.232 119.700 119.914 0.029 0.000 2.324 235 V HA -0.338 3.739 4.120 -0.072 0.000 0.250 235 V C 2.581 178.737 176.094 0.104 0.000 1.060 235 V CA 2.491 64.833 62.300 0.070 0.000 1.042 235 V CB -0.982 30.853 31.823 0.020 0.000 0.650 235 V HN 0.532 nan 8.190 nan 0.000 0.450 236 T N -0.527 114.051 114.554 0.039 0.000 2.720 236 T HA -0.199 4.108 4.350 -0.072 0.000 0.268 236 T C 1.617 176.343 174.700 0.043 0.000 1.037 236 T CA 1.740 63.864 62.100 0.039 0.000 1.144 236 T CB -0.354 68.509 68.868 -0.008 0.000 0.864 236 T HN 0.507 nan 8.240 nan 0.000 0.444 237 D N 0.879 121.288 120.400 0.016 0.000 2.085 237 D HA 0.002 4.599 4.640 -0.072 0.000 0.199 237 D C 2.096 178.435 176.300 0.065 0.000 0.981 237 D CA 0.498 54.504 54.000 0.010 0.000 0.834 237 D CB -0.677 40.099 40.800 -0.041 0.000 0.992 237 D HN 0.125 nan 8.370 nan 0.000 0.457 238 L N 1.156 122.453 121.223 0.122 0.000 2.051 238 L HA -0.207 4.090 4.340 -0.072 0.000 0.214 238 L C 2.170 179.208 176.870 0.279 0.000 1.076 238 L CA 1.800 56.771 54.840 0.219 0.000 0.758 238 L CB -0.997 41.242 42.059 0.300 0.000 0.890 238 L HN -0.006 nan 8.230 nan 0.000 0.433 239 T N -0.567 114.159 114.554 0.286 0.000 2.684 239 T HA -0.272 4.035 4.350 -0.072 0.000 0.267 239 T C 1.874 176.570 174.700 -0.008 0.000 1.036 239 T CA 1.874 64.082 62.100 0.179 0.000 1.148 239 T CB -0.244 68.752 68.868 0.214 0.000 0.863 239 T HN 0.412 nan 8.240 nan 0.000 0.436 240 K N 0.827 121.239 120.400 0.019 0.000 2.097 240 K HA -0.088 4.189 4.320 -0.072 0.000 0.206 240 K C 2.170 178.754 176.600 -0.027 0.000 1.049 240 K CA 0.966 57.245 56.287 -0.014 0.000 0.933 240 K CB -0.326 32.170 32.500 -0.006 0.000 0.717 240 K HN 0.147 nan 8.250 nan 0.000 0.442 241 V N 1.621 121.519 119.914 -0.026 0.000 2.214 241 V HA -0.296 3.781 4.120 -0.072 0.000 0.245 241 V C 2.379 178.411 176.094 -0.104 0.000 1.047 241 V CA 2.107 64.365 62.300 -0.069 0.000 0.998 241 V CB -0.785 30.968 31.823 -0.116 0.000 0.633 241 V HN 0.481 nan 8.190 nan 0.000 0.446 242 H N 0.143 119.200 119.070 -0.021 0.000 2.390 242 H HA -0.141 4.377 4.556 -0.063 0.000 0.298 242 H C 2.438 177.677 175.328 -0.147 0.000 1.106 242 H CA 2.044 58.017 56.048 -0.124 0.000 1.297 242 H CB -0.650 28.934 29.762 -0.296 0.000 1.375 242 H HN 0.455 nan 8.280 nan 0.000 0.509 243 T N 0.803 115.308 114.554 -0.081 0.000 2.833 243 T HA -0.115 4.192 4.350 -0.072 0.000 0.269 243 T C 1.860 176.572 174.700 0.021 0.000 1.054 243 T CA 1.339 63.401 62.100 -0.063 0.000 1.135 243 T CB 0.026 68.849 68.868 -0.076 0.000 0.869 243 T HN 0.554 nan 8.240 nan 0.000 0.466 244 E N 0.085 120.295 120.200 0.016 0.000 2.033 244 E HA -0.037 4.270 4.350 -0.072 0.000 0.189 244 E C 2.534 179.185 176.600 0.084 0.000 0.979 244 E CA 0.753 57.176 56.400 0.039 0.000 0.802 244 E CB -0.324 29.375 29.700 -0.001 0.000 0.763 244 E HN 0.368 nan 8.360 nan 0.000 0.449 245 c N 0.830 119.483 118.600 0.089 0.000 2.393 245 c HA -0.203 4.324 4.570 -0.072 0.000 0.276 245 c C 2.967 177.145 174.090 0.146 0.000 1.215 245 c CA 0.695 57.105 56.329 0.135 0.000 1.743 245 c CB -0.780 41.887 42.510 0.262 0.000 2.044 245 c HN 0.614 nan 8.230 nan 0.000 0.464 246 c N -1.291 117.406 118.600 0.162 0.000 2.411 246 c HA -0.134 4.393 4.570 -0.072 0.000 0.279 246 c C 2.433 176.632 174.090 0.182 0.000 1.288 246 c CA 0.929 57.370 56.329 0.186 0.000 1.764 246 c CB -1.833 40.755 42.510 0.130 0.000 1.974 246 c HN 0.702 nan 8.230 nan 0.000 0.498 247 H N -0.163 118.955 119.070 0.080 0.000 2.539 247 H HA 0.152 4.665 4.556 -0.072 0.000 0.267 247 H C 1.757 177.142 175.328 0.095 0.000 0.982 247 H CA 0.940 57.041 56.048 0.088 0.000 1.146 247 H CB -0.204 29.602 29.762 0.073 0.000 1.382 247 H HN 0.535 nan 8.280 nan 0.000 0.577 248 G N 1.346 110.208 108.800 0.105 0.000 2.176 248 G HA2 -0.217 3.700 3.960 -0.072 0.000 0.253 248 G HA3 -0.217 3.700 3.960 -0.072 0.000 0.253 248 G C -0.029 174.884 174.900 0.022 0.000 0.979 248 G CA 0.271 45.367 45.100 -0.007 0.000 0.641 248 G HN 0.475 nan 8.290 nan 0.000 0.530 249 D N 1.347 121.799 120.400 0.085 0.000 2.845 249 D HA 0.299 4.896 4.640 -0.072 0.000 0.235 249 D C 2.143 178.386 176.300 -0.095 0.000 1.158 249 D CA -0.271 53.705 54.000 -0.041 0.000 0.990 249 D CB 0.029 40.824 40.800 -0.009 0.000 1.094 249 D HN 0.366 nan 8.370 nan 0.000 0.486 250 L N -0.210 120.922 121.223 -0.152 0.000 2.042 250 L HA -0.201 4.096 4.340 -0.072 0.000 0.210 250 L C 2.361 179.153 176.870 -0.132 0.000 1.076 250 L CA 1.002 55.760 54.840 -0.137 0.000 0.749 250 L CB -0.345 41.605 42.059 -0.182 0.000 0.893 250 L HN 0.282 nan 8.230 nan 0.000 0.432 251 L N -0.090 121.030 121.223 -0.171 0.000 1.994 251 L HA -0.205 4.092 4.340 -0.072 0.000 0.208 251 L C 2.855 179.682 176.870 -0.072 0.000 1.071 251 L CA 1.438 56.207 54.840 -0.118 0.000 0.745 251 L CB -0.815 41.178 42.059 -0.109 0.000 0.892 251 L HN 0.398 nan 8.230 nan 0.000 0.431 252 E N -0.122 120.025 120.200 -0.088 0.000 2.204 252 E HA -0.248 4.059 4.350 -0.072 0.000 0.195 252 E C 2.325 178.899 176.600 -0.043 0.000 0.990 252 E CA 1.523 57.882 56.400 -0.069 0.000 0.821 252 E CB -1.153 28.491 29.700 -0.092 0.000 0.750 252 E HN 0.568 nan 8.360 nan 0.000 0.477 253 c N 1.475 120.049 118.600 -0.043 0.000 2.446 253 c HA 0.170 4.697 4.570 -0.072 0.000 0.277 253 c C 3.024 177.099 174.090 -0.026 0.000 1.275 253 c CA 1.309 57.627 56.329 -0.020 0.000 1.727 253 c CB -1.007 41.506 42.510 0.006 0.000 2.010 253 c HN 0.538 nan 8.230 nan 0.000 0.486 254 A N -0.124 122.670 122.820 -0.045 0.000 1.898 254 A HA -0.137 4.140 4.320 -0.072 0.000 0.216 254 A C 2.061 179.635 177.584 -0.016 0.000 1.181 254 A CA 2.065 54.072 52.037 -0.049 0.000 0.620 254 A CB -0.836 18.131 19.000 -0.054 0.000 0.819 254 A HN 0.688 nan 8.150 nan 0.000 0.442 255 D N 0.302 120.700 120.400 -0.003 0.000 2.095 255 D HA -0.162 4.435 4.640 -0.072 0.000 0.192 255 D C 1.300 177.614 176.300 0.024 0.000 0.990 255 D CA 1.528 55.542 54.000 0.023 0.000 0.836 255 D CB -0.352 40.467 40.800 0.032 0.000 0.979 255 D HN 0.375 nan 8.370 nan 0.000 0.447 256 D N 0.079 120.487 120.400 0.013 0.000 2.190 256 D HA -0.189 4.408 4.640 -0.072 0.000 0.200 256 D C 2.096 178.409 176.300 0.022 0.000 0.992 256 D CA 0.557 54.566 54.000 0.015 0.000 0.854 256 D CB -0.166 40.634 40.800 0.001 0.000 0.936 256 D HN 0.281 nan 8.370 nan 0.000 0.462 257 R N 0.573 121.083 120.500 0.017 0.000 2.148 257 R HA -0.020 4.277 4.340 -0.072 0.000 0.223 257 R C 2.087 178.411 176.300 0.040 0.000 1.088 257 R CA 0.989 57.107 56.100 0.031 0.000 0.985 257 R CB 0.064 30.371 30.300 0.012 0.000 0.880 257 R HN 0.073 nan 8.270 nan 0.000 0.451 258 A N 1.207 124.047 122.820 0.033 0.000 1.872 258 A HA -0.136 4.141 4.320 -0.072 0.000 0.214 258 A C 1.532 179.150 177.584 0.056 0.000 1.187 258 A CA 1.569 53.630 52.037 0.041 0.000 0.614 258 A CB -0.406 18.616 19.000 0.037 0.000 0.826 258 A HN 0.306 nan 8.150 nan 0.000 0.442 259 D N -0.088 120.347 120.400 0.057 0.000 2.106 259 D HA -0.181 4.416 4.640 -0.072 0.000 0.191 259 D C 1.807 178.165 176.300 0.097 0.000 0.997 259 D CA 1.501 55.544 54.000 0.071 0.000 0.834 259 D CB -0.642 40.192 40.800 0.058 0.000 0.956 259 D HN 0.312 nan 8.370 nan 0.000 0.448 260 L N 0.751 122.023 121.223 0.082 0.000 2.079 260 L HA -0.135 4.162 4.340 -0.072 0.000 0.210 260 L C 2.069 179.023 176.870 0.140 0.000 1.081 260 L CA 1.773 56.676 54.840 0.105 0.000 0.752 260 L CB -0.765 41.342 42.059 0.080 0.000 0.896 260 L HN 0.005 nan 8.230 nan 0.000 0.433 261 A N -1.024 121.857 122.820 0.102 0.000 1.898 261 A HA -0.192 4.085 4.320 -0.072 0.000 0.216 261 A C 2.294 179.924 177.584 0.076 0.000 1.181 261 A CA 1.694 53.782 52.037 0.084 0.000 0.620 261 A CB -0.419 18.617 19.000 0.060 0.000 0.819 261 A HN 0.409 nan 8.150 nan 0.000 0.442 262 K N -1.224 119.224 120.400 0.080 0.000 1.991 262 K HA -0.155 4.122 4.320 -0.072 0.000 0.212 262 K C 1.848 178.484 176.600 0.061 0.000 1.049 262 K CA 1.830 58.153 56.287 0.060 0.000 0.932 262 K CB -0.668 31.871 32.500 0.065 0.000 0.717 262 K HN 0.548 nan 8.250 nan 0.000 0.441 263 Y N 1.293 121.594 120.300 0.002 0.000 2.040 263 Y HA -0.308 4.198 4.550 -0.072 0.000 0.275 263 Y C 1.842 177.728 175.900 -0.023 0.000 1.171 263 Y CA 1.907 60.004 58.100 -0.006 0.000 1.123 263 Y CB -0.282 38.178 38.460 0.001 0.000 0.963 263 Y HN 0.026 nan 8.280 nan 0.000 0.493 264 I N -1.058 119.592 120.570 0.133 0.000 2.264 264 I HA -0.418 3.709 4.170 -0.072 0.000 0.248 264 I C 2.465 178.510 176.117 -0.120 0.000 1.111 264 I CA 1.390 62.692 61.300 0.004 0.000 1.382 264 I CB -0.593 37.445 38.000 0.064 0.000 1.060 264 I HN 0.420 nan 8.210 nan 0.000 0.418 265 c N 0.588 119.141 118.600 -0.078 0.000 2.466 265 c HA -0.096 4.431 4.570 -0.072 0.000 0.278 265 c C 2.614 176.630 174.090 -0.123 0.000 1.288 265 c CA 0.600 56.879 56.329 -0.083 0.000 1.722 265 c CB -0.923 41.563 42.510 -0.038 0.000 2.017 265 c HN 0.496 nan 8.230 nan 0.000 0.488 266 E N 1.204 121.307 120.200 -0.161 0.000 2.077 266 E HA -0.163 4.144 4.350 -0.072 0.000 0.193 266 E C 0.896 177.356 176.600 -0.233 0.000 0.989 266 E CA 1.248 57.540 56.400 -0.179 0.000 0.800 266 E CB -0.318 29.266 29.700 -0.193 0.000 0.746 266 E HN 0.692 nan 8.360 nan 0.000 0.452 267 N N 0.845 119.327 118.700 -0.363 0.000 2.322 267 N HA 0.020 4.717 4.740 -0.072 0.000 0.216 267 N C 0.799 176.168 175.510 -0.235 0.000 1.144 267 N CA -0.069 52.779 53.050 -0.336 0.000 0.830 267 N CB 0.287 38.453 38.487 -0.535 0.000 1.034 267 N HN 0.145 nan 8.380 nan 0.000 0.484 268 Q N 0.942 120.627 119.800 -0.192 0.000 2.007 268 Q HA -0.286 4.011 4.340 -0.072 0.000 0.214 268 Q C 0.797 176.709 176.000 -0.148 0.000 1.031 268 Q CA 1.934 57.639 55.803 -0.163 0.000 0.886 268 Q CB -0.230 28.438 28.738 -0.115 0.000 0.992 268 Q HN 0.518 nan 8.270 nan 0.000 0.415 269 D N -0.274 120.060 120.400 -0.111 0.000 2.218 269 D HA -0.159 4.438 4.640 -0.072 0.000 0.194 269 D C 1.814 178.065 176.300 -0.081 0.000 1.007 269 D CA 1.613 55.563 54.000 -0.083 0.000 0.879 269 D CB -0.207 40.553 40.800 -0.066 0.000 0.918 269 D HN 0.179 nan 8.370 nan 0.000 0.449 270 S N -0.503 115.139 115.700 -0.097 0.000 2.527 270 S HA 0.087 4.514 4.470 -0.072 0.000 0.222 270 S C 2.025 176.572 174.600 -0.089 0.000 0.985 270 S CA 0.089 58.246 58.200 -0.072 0.000 0.921 270 S CB 0.463 63.624 63.200 -0.064 0.000 0.772 270 S HN 0.273 nan 8.310 nan 0.000 0.529 271 I N -0.911 119.556 120.570 -0.172 0.000 3.132 271 I HA 0.216 4.343 4.170 -0.072 0.000 0.255 271 I C 0.787 176.704 176.117 -0.332 0.000 1.118 271 I CA 0.187 61.301 61.300 -0.310 0.000 1.463 271 I CB 0.403 38.096 38.000 -0.512 0.000 1.356 271 I HN 0.107 nan 8.210 nan 0.000 0.463 272 S N -0.685 114.844 115.700 -0.284 0.000 2.552 272 S HA 0.230 4.657 4.470 -0.072 0.000 0.272 272 S C 0.163 174.714 174.600 -0.083 0.000 1.150 272 S CA -0.160 57.958 58.200 -0.136 0.000 0.849 272 S CB 1.415 64.561 63.200 -0.090 0.000 1.113 272 S HN 0.220 nan 8.310 nan 0.000 0.458 273 S N 1.878 117.561 115.700 -0.028 0.000 2.577 273 S HA 0.271 4.698 4.470 -0.072 0.000 0.219 273 S C 0.554 175.148 174.600 -0.011 0.000 0.962 273 S CA -0.295 57.890 58.200 -0.024 0.000 0.921 273 S CB -0.153 63.038 63.200 -0.016 0.000 0.789 273 S HN 0.592 nan 8.310 nan 0.000 0.497 274 K N 0.988 121.391 120.400 0.006 0.000 2.399 274 K HA 0.372 4.649 4.320 -0.072 0.000 0.204 274 K C 0.612 177.221 176.600 0.015 0.000 1.023 274 K CA -0.044 56.253 56.287 0.017 0.000 1.127 274 K CB 0.150 32.673 32.500 0.039 0.000 0.856 274 K HN 0.411 nan 8.250 nan 0.000 0.514 275 L N 0.471 121.690 121.223 -0.007 0.000 2.592 275 L HA 0.077 4.374 4.340 -0.072 0.000 0.227 275 L C 1.791 178.650 176.870 -0.018 0.000 1.127 275 L CA 0.216 55.047 54.840 -0.015 0.000 0.884 275 L CB -0.099 41.925 42.059 -0.057 0.000 1.065 275 L HN 0.085 nan 8.230 nan 0.000 0.457 276 K N 1.008 121.398 120.400 -0.017 0.000 1.969 276 K HA -0.218 4.059 4.320 -0.072 0.000 0.216 276 K C 2.398 178.995 176.600 -0.006 0.000 1.048 276 K CA 2.054 58.332 56.287 -0.015 0.000 0.948 276 K CB -0.408 32.084 32.500 -0.014 0.000 0.726 276 K HN 0.334 nan 8.250 nan 0.000 0.442 277 E N 1.047 121.247 120.200 0.000 0.000 2.169 277 E HA -0.265 4.042 4.350 -0.072 0.000 0.202 277 E C 2.053 178.659 176.600 0.011 0.000 1.016 277 E CA 2.060 58.464 56.400 0.007 0.000 0.817 277 E CB -1.492 28.215 29.700 0.010 0.000 0.736 277 E HN 0.471 nan 8.360 nan 0.000 0.462 278 c N -0.539 118.066 118.600 0.008 0.000 2.436 278 c HA -0.102 4.425 4.570 -0.072 0.000 0.277 278 c C 2.830 176.926 174.090 0.010 0.000 1.241 278 c CA 0.908 57.243 56.329 0.010 0.000 1.721 278 c CB -0.925 41.589 42.510 0.007 0.000 2.043 278 c HN 0.822 nan 8.230 nan 0.000 0.472 279 c N 0.857 119.458 118.600 0.001 0.000 2.485 279 c HA -0.017 4.510 4.570 -0.072 0.000 0.283 279 c C 1.276 175.368 174.090 0.003 0.000 1.478 279 c CA 0.551 56.879 56.329 -0.001 0.000 1.741 279 c CB -2.075 40.425 42.510 -0.016 0.000 1.675 279 c HN 0.620 nan 8.230 nan 0.000 0.573 280 E N 1.483 121.688 120.200 0.007 0.000 2.663 280 E HA 0.171 4.478 4.350 -0.072 0.000 0.240 280 E C 0.125 176.736 176.600 0.019 0.000 1.227 280 E CA 0.029 56.435 56.400 0.010 0.000 1.528 280 E CB 0.058 29.762 29.700 0.007 0.000 1.472 280 E HN 0.740 nan 8.360 nan 0.000 0.433 281 K N -1.145 119.269 120.400 0.024 0.000 2.672 281 K HA 0.420 4.697 4.320 -0.072 0.000 0.295 281 K C -3.100 173.524 176.600 0.040 0.000 1.042 281 K CA -1.792 54.515 56.287 0.035 0.000 0.869 281 K CB 0.477 33.005 32.500 0.045 0.000 1.541 281 K HN -0.220 nan 8.250 nan 0.000 0.396 282 P HA -0.098 nan 4.420 nan 0.000 0.267 282 P C 0.839 178.174 177.300 0.058 0.000 1.201 282 P CA -0.372 62.760 63.100 0.053 0.000 0.775 282 P CB 0.520 32.257 31.700 0.061 0.000 0.854 283 L N 3.730 124.984 121.223 0.052 0.000 1.965 283 L HA -0.264 4.033 4.340 -0.072 0.000 0.226 283 L C 2.435 179.341 176.870 0.059 0.000 1.083 283 L CA 1.994 56.863 54.840 0.049 0.000 0.790 283 L CB -1.403 40.682 42.059 0.044 0.000 0.898 283 L HN 0.354 nan 8.230 nan 0.000 0.439 284 L N -0.790 120.484 121.223 0.086 0.000 2.081 284 L HA -0.244 4.053 4.340 -0.072 0.000 0.212 284 L C 2.897 179.835 176.870 0.114 0.000 1.080 284 L CA 1.963 56.877 54.840 0.124 0.000 0.754 284 L CB -1.513 40.669 42.059 0.205 0.000 0.893 284 L HN 0.599 nan 8.230 nan 0.000 0.433 285 E N 0.847 121.135 120.200 0.146 0.000 2.152 285 E HA -0.235 4.072 4.350 -0.072 0.000 0.192 285 E C 2.133 178.757 176.600 0.041 0.000 0.983 285 E CA 1.287 57.763 56.400 0.126 0.000 0.818 285 E CB -0.282 29.521 29.700 0.173 0.000 0.758 285 E HN 0.511 nan 8.360 nan 0.000 0.467 286 K N 0.183 120.607 120.400 0.040 0.000 2.001 286 K HA -0.099 4.178 4.320 -0.072 0.000 0.208 286 K C 2.591 179.195 176.600 0.006 0.000 1.048 286 K CA 1.462 57.763 56.287 0.024 0.000 0.932 286 K CB -0.258 32.259 32.500 0.029 0.000 0.715 286 K HN 0.292 nan 8.250 nan 0.000 0.437 287 S N -0.109 115.596 115.700 0.008 0.000 2.359 287 S HA -0.235 4.192 4.470 -0.072 0.000 0.222 287 S C 1.802 176.383 174.600 -0.032 0.000 1.038 287 S CA 1.794 59.999 58.200 0.009 0.000 1.051 287 S CB -0.643 62.565 63.200 0.013 0.000 0.944 287 S HN 0.541 nan 8.310 nan 0.000 0.433 288 H N 0.156 119.086 119.070 -0.234 0.000 2.353 288 H HA -0.151 4.358 4.556 -0.078 0.000 0.298 288 H C 2.476 177.670 175.328 -0.224 0.000 1.103 288 H CA 1.914 57.732 56.048 -0.384 0.000 1.293 288 H CB -0.834 28.301 29.762 -1.045 0.000 1.372 288 H HN 0.452 nan 8.280 nan 0.000 0.501 289 c N -0.139 118.348 118.600 -0.188 0.000 2.436 289 c HA -0.111 4.416 4.570 -0.072 0.000 0.277 289 c C 2.820 176.845 174.090 -0.108 0.000 1.241 289 c CA 1.164 57.411 56.329 -0.137 0.000 1.721 289 c CB -1.367 41.128 42.510 -0.025 0.000 2.043 289 c HN 0.695 nan 8.230 nan 0.000 0.472 290 I N 1.679 122.222 120.570 -0.044 0.000 2.163 290 I HA -0.182 3.945 4.170 -0.072 0.000 0.243 290 I C 2.820 178.951 176.117 0.024 0.000 1.085 290 I CA 1.812 63.127 61.300 0.026 0.000 1.347 290 I CB -0.743 37.295 38.000 0.064 0.000 1.044 290 I HN 0.405 nan 8.210 nan 0.000 0.408 291 A N -0.180 122.627 122.820 -0.022 0.000 2.178 291 A HA -0.138 4.139 4.320 -0.072 0.000 0.218 291 A C 1.847 179.378 177.584 -0.087 0.000 1.157 291 A CA 1.448 53.475 52.037 -0.017 0.000 0.689 291 A CB -0.270 18.742 19.000 0.021 0.000 0.787 291 A HN 0.431 nan 8.150 nan 0.000 0.465 292 E N -0.316 119.793 120.200 -0.153 0.000 2.630 292 E HA 0.139 4.446 4.350 -0.072 0.000 0.218 292 E C 0.230 176.773 176.600 -0.094 0.000 0.977 292 E CA 0.106 56.415 56.400 -0.152 0.000 1.038 292 E CB 0.353 29.900 29.700 -0.255 0.000 1.051 292 E HN 0.477 nan 8.360 nan 0.000 0.487 293 V N 0.697 120.580 119.914 -0.052 0.000 2.872 293 V HA 0.048 4.125 4.120 -0.072 0.000 0.307 293 V C 0.569 176.650 176.094 -0.023 0.000 1.072 293 V CA -0.651 61.645 62.300 -0.008 0.000 1.148 293 V CB 0.292 32.157 31.823 0.069 0.000 0.954 293 V HN 0.158 nan 8.190 nan 0.000 0.490 294 E N 3.523 123.716 120.200 -0.012 0.000 2.392 294 E HA 0.193 4.500 4.350 -0.072 0.000 0.256 294 E C -0.321 176.267 176.600 -0.021 0.000 1.145 294 E CA -0.800 55.585 56.400 -0.025 0.000 0.929 294 E CB 0.282 29.973 29.700 -0.015 0.000 0.998 294 E HN 0.756 nan 8.360 nan 0.000 0.442 295 N N 1.709 120.381 118.700 -0.047 0.000 2.454 295 N HA -0.020 4.677 4.740 -0.072 0.000 0.254 295 N C -0.386 175.123 175.510 -0.003 0.000 1.228 295 N CA 0.072 53.092 53.050 -0.050 0.000 0.900 295 N CB 0.451 38.892 38.487 -0.077 0.000 1.089 295 N HN 0.538 nan 8.380 nan 0.000 0.449 296 D N 0.753 121.175 120.400 0.036 0.000 2.377 296 D HA 0.073 4.670 4.640 -0.072 0.000 0.245 296 D C -0.312 175.987 176.300 -0.002 0.000 1.196 296 D CA -0.104 53.919 54.000 0.040 0.000 0.962 296 D CB 0.803 41.653 40.800 0.083 0.000 1.127 296 D HN 0.256 nan 8.370 nan 0.000 0.471 297 E N 0.405 120.600 120.200 -0.009 0.000 2.398 297 E HA 0.068 4.375 4.350 -0.072 0.000 0.263 297 E C -0.081 176.496 176.600 -0.039 0.000 1.046 297 E CA 0.124 56.507 56.400 -0.028 0.000 0.908 297 E CB 0.465 30.150 29.700 -0.025 0.000 0.963 297 E HN 0.324 nan 8.360 nan 0.000 0.431 298 M N 4.268 123.831 119.600 -0.062 0.000 2.217 298 M HA 0.177 4.614 4.480 -0.072 0.000 0.352 298 M C -2.086 174.172 176.300 -0.070 0.000 1.376 298 M CA -1.528 53.721 55.300 -0.084 0.000 1.107 298 M CB 0.567 33.096 32.600 -0.120 0.000 1.723 298 M HN 0.228 nan 8.290 nan 0.000 0.461 299 P HA -0.027 nan 4.420 nan 0.000 0.263 299 P C -0.315 176.952 177.300 -0.055 0.000 1.175 299 P CA 0.058 63.130 63.100 -0.047 0.000 0.761 299 P CB 0.578 32.255 31.700 -0.039 0.000 0.794 300 A N 3.714 126.509 122.820 -0.041 0.000 1.952 300 A HA -0.176 4.101 4.320 -0.072 0.000 0.206 300 A C 0.421 177.978 177.584 -0.044 0.000 1.213 300 A CA 1.446 53.459 52.037 -0.041 0.000 0.690 300 A CB -1.411 17.571 19.000 -0.030 0.000 0.854 300 A HN 0.600 nan 8.150 nan 0.000 0.485 301 D N 0.289 120.670 120.400 -0.032 0.000 2.416 301 D HA 0.457 5.054 4.640 -0.072 0.000 0.240 301 D C -0.798 175.484 176.300 -0.030 0.000 1.250 301 D CA 0.393 54.376 54.000 -0.030 0.000 0.967 301 D CB 0.129 40.918 40.800 -0.019 0.000 1.059 301 D HN 0.218 nan 8.370 nan 0.000 0.512 302 L N 3.941 125.138 121.223 -0.045 0.000 2.313 302 L HA 0.455 4.752 4.340 -0.072 0.000 0.283 302 L C -1.620 175.228 176.870 -0.037 0.000 1.013 302 L CA -1.961 52.852 54.840 -0.046 0.000 0.816 302 L CB 1.270 43.280 42.059 -0.082 0.000 1.236 302 L HN 0.217 nan 8.230 nan 0.000 0.419 303 P HA 0.006 nan 4.420 nan 0.000 0.273 303 P C -0.557 176.742 177.300 -0.002 0.000 1.252 303 P CA -0.266 62.832 63.100 -0.003 0.000 0.809 303 P CB 0.460 32.166 31.700 0.009 0.000 1.017 304 S N -0.799 114.912 115.700 0.018 0.000 2.585 304 S HA 0.221 4.648 4.470 -0.072 0.000 0.277 304 S C 1.255 175.914 174.600 0.098 0.000 1.241 304 S CA -0.663 57.561 58.200 0.041 0.000 1.041 304 S CB -0.058 63.169 63.200 0.044 0.000 0.987 304 S HN 0.351 nan 8.310 nan 0.000 0.512 305 L N 3.930 125.250 121.223 0.161 0.000 2.046 305 L HA -0.059 4.238 4.340 -0.072 0.000 0.208 305 L C 2.850 179.958 176.870 0.396 0.000 1.077 305 L CA 1.542 56.588 54.840 0.343 0.000 0.747 305 L CB -0.797 41.474 42.059 0.354 0.000 0.896 305 L HN 0.877 nan 8.230 nan 0.000 0.432 306 A N 0.148 123.101 122.820 0.223 0.000 1.997 306 A HA -0.285 3.992 4.320 -0.072 0.000 0.221 306 A C 2.494 180.109 177.584 0.051 0.000 1.172 306 A CA 1.897 53.920 52.037 -0.024 0.000 0.645 306 A CB -0.739 18.152 19.000 -0.180 0.000 0.813 306 A HN 0.455 nan 8.150 nan 0.000 0.454 307 A N 0.359 123.218 122.820 0.065 0.000 1.848 307 A HA -0.249 4.028 4.320 -0.072 0.000 0.217 307 A C 1.678 179.265 177.584 0.005 0.000 1.220 307 A CA 2.070 54.126 52.037 0.032 0.000 0.645 307 A CB -0.825 18.187 19.000 0.019 0.000 0.842 307 A HN 0.458 nan 8.150 nan 0.000 0.451 308 D N -1.819 118.527 120.400 -0.091 0.000 2.347 308 D HA 0.106 4.703 4.640 -0.072 0.000 0.213 308 D C 0.938 177.033 176.300 -0.341 0.000 0.985 308 D CA 0.643 54.474 54.000 -0.280 0.000 0.879 308 D CB -0.077 40.402 40.800 -0.536 0.000 0.919 308 D HN 0.484 nan 8.370 nan 0.000 0.526 309 F N -0.708 119.364 119.950 0.203 0.000 2.727 309 F HA 0.110 4.595 4.527 -0.070 0.000 0.302 309 F C 1.880 177.814 175.800 0.224 0.000 1.107 309 F CA -0.117 58.047 58.000 0.273 0.000 1.277 309 F CB 0.466 39.628 39.000 0.270 0.000 1.079 309 F HN -0.095 nan 8.300 nan 0.000 0.594 310 V N -3.727 116.337 119.914 0.249 0.000 3.229 310 V HA 0.238 4.315 4.120 -0.072 0.000 0.239 310 V C 1.470 177.682 176.094 0.197 0.000 1.390 310 V CA 0.366 62.772 62.300 0.178 0.000 1.231 310 V CB 0.073 31.825 31.823 -0.119 0.000 1.025 310 V HN 0.089 nan 8.190 nan 0.000 0.461 311 E N 1.924 122.199 120.200 0.124 0.000 2.060 311 E HA 0.076 4.383 4.350 -0.072 0.000 0.189 311 E C 1.393 178.140 176.600 0.244 0.000 0.974 311 E CA 0.939 57.438 56.400 0.165 0.000 0.808 311 E CB -0.102 29.656 29.700 0.097 0.000 0.768 311 E HN 0.585 nan 8.360 nan 0.000 0.453 312 S N 0.291 116.095 115.700 0.174 0.000 2.542 312 S HA -0.048 4.379 4.470 -0.072 0.000 0.287 312 S C 0.841 175.590 174.600 0.247 0.000 1.315 312 S CA 1.052 59.344 58.200 0.154 0.000 1.037 312 S CB 0.834 64.091 63.200 0.095 0.000 0.822 312 S HN 0.286 nan 8.310 nan 0.000 0.513 313 K N 1.429 121.937 120.400 0.179 0.000 2.358 313 K HA 0.210 4.487 4.320 -0.072 0.000 0.200 313 K C 0.831 177.520 176.600 0.149 0.000 1.030 313 K CA 0.528 56.936 56.287 0.202 0.000 1.097 313 K CB -0.124 32.435 32.500 0.099 0.000 0.862 313 K HN 0.768 nan 8.250 nan 0.000 0.534 314 D N 0.192 120.651 120.400 0.098 0.000 2.349 314 D HA 0.054 4.651 4.640 -0.072 0.000 0.214 314 D C 1.643 177.927 176.300 -0.027 0.000 1.063 314 D CA 0.323 54.341 54.000 0.031 0.000 0.847 314 D CB 0.475 41.276 40.800 0.001 0.000 0.933 314 D HN 0.123 nan 8.370 nan 0.000 0.513 315 V N 1.052 120.975 119.914 0.015 0.000 2.232 315 V HA -0.406 3.671 4.120 -0.072 0.000 0.251 315 V C 2.661 178.633 176.094 -0.204 0.000 1.048 315 V CA 1.886 64.120 62.300 -0.110 0.000 1.029 315 V CB -1.114 30.559 31.823 -0.250 0.000 0.658 315 V HN 0.321 nan 8.190 nan 0.000 0.464 316 c N -0.296 118.258 118.600 -0.077 0.000 2.392 316 c HA -0.257 4.270 4.570 -0.072 0.000 0.276 316 c C 2.815 176.904 174.090 -0.000 0.000 1.212 316 c CA 1.756 58.090 56.329 0.010 0.000 1.791 316 c CB -1.231 41.337 42.510 0.097 0.000 2.063 316 c HN 0.682 nan 8.230 nan 0.000 0.481 317 K N 0.747 121.121 120.400 -0.045 0.000 2.025 317 K HA -0.126 4.151 4.320 -0.072 0.000 0.207 317 K C 1.883 178.403 176.600 -0.135 0.000 1.049 317 K CA 1.474 57.724 56.287 -0.061 0.000 0.933 317 K CB -0.240 32.235 32.500 -0.042 0.000 0.714 317 K HN 0.490 nan 8.250 nan 0.000 0.438 318 N N 0.104 118.648 118.700 -0.259 0.000 2.142 318 N HA -0.195 4.502 4.740 -0.072 0.000 0.186 318 N C 1.767 177.018 175.510 -0.433 0.000 1.023 318 N CA 1.095 53.912 53.050 -0.387 0.000 0.852 318 N CB -0.453 37.656 38.487 -0.630 0.000 0.998 318 N HN 0.264 nan 8.380 nan 0.000 0.424 319 Y N 2.024 121.921 120.300 -0.671 0.000 2.165 319 Y HA -0.181 4.325 4.550 -0.073 0.000 0.286 319 Y C 2.363 178.190 175.900 -0.121 0.000 1.155 319 Y CA 1.485 59.383 58.100 -0.336 0.000 1.164 319 Y CB -0.626 37.703 38.460 -0.218 0.000 0.978 319 Y HN 0.071 nan 8.280 nan 0.000 0.513 320 A N 0.300 123.009 122.820 -0.184 0.000 1.877 320 A HA -0.158 4.119 4.320 -0.072 0.000 0.216 320 A C 2.258 179.747 177.584 -0.158 0.000 1.186 320 A CA 2.613 54.532 52.037 -0.198 0.000 0.620 320 A CB -1.560 17.391 19.000 -0.082 0.000 0.822 320 A HN 0.567 nan 8.150 nan 0.000 0.443 321 E N -0.598 119.536 120.200 -0.111 0.000 2.049 321 E HA 0.152 4.459 4.350 -0.072 0.000 0.198 321 E C 1.181 177.753 176.600 -0.046 0.000 1.007 321 E CA 1.824 58.185 56.400 -0.065 0.000 0.809 321 E CB -0.691 28.980 29.700 -0.048 0.000 0.749 321 E HN 1.657 nan 8.360 nan 0.000 0.450 322 A N -0.420 122.380 122.820 -0.033 0.000 3.156 322 A HA 0.482 4.759 4.320 -0.072 0.000 0.311 322 A C 0.984 178.613 177.584 0.075 0.000 1.129 322 A CA 0.440 52.493 52.037 0.027 0.000 0.809 322 A CB 0.556 19.605 19.000 0.082 0.000 1.257 322 A HN 0.232 nan 8.150 nan 0.000 0.491 323 K N 0.725 121.095 120.400 -0.050 0.000 2.107 323 K HA -0.255 4.022 4.320 -0.072 0.000 0.211 323 K C 0.836 177.546 176.600 0.184 0.000 1.049 323 K CA 2.363 58.623 56.287 -0.044 0.000 0.927 323 K CB -0.006 32.325 32.500 -0.282 0.000 0.714 323 K HN 0.669 nan 8.250 nan 0.000 0.452 324 D N 0.140 120.624 120.400 0.140 0.000 2.084 324 D HA -0.127 4.470 4.640 -0.072 0.000 0.196 324 D C 2.064 178.509 176.300 0.242 0.000 0.985 324 D CA 1.234 55.342 54.000 0.179 0.000 0.826 324 D CB -0.287 40.595 40.800 0.137 0.000 0.978 324 D HN 0.078 nan 8.370 nan 0.000 0.456 325 V N 0.998 121.059 119.914 0.246 0.000 2.358 325 V HA -0.204 3.873 4.120 -0.072 0.000 0.246 325 V C 2.185 178.424 176.094 0.242 0.000 1.047 325 V CA 1.036 63.507 62.300 0.285 0.000 1.035 325 V CB -0.522 31.453 31.823 0.252 0.000 0.658 325 V HN 0.030 nan 8.190 nan 0.000 0.452 326 F N 0.550 120.592 119.950 0.153 0.000 2.075 326 F HA -0.170 4.315 4.527 -0.071 0.000 0.297 326 F C 2.097 178.071 175.800 0.291 0.000 1.113 326 F CA 1.649 59.780 58.000 0.219 0.000 1.218 326 F CB -0.413 38.758 39.000 0.284 0.000 0.984 326 F HN 0.001 nan 8.300 nan 0.000 0.472 327 L N -0.553 120.846 121.223 0.293 0.000 2.131 327 L HA -0.145 4.152 4.340 -0.072 0.000 0.210 327 L C 2.706 179.685 176.870 0.182 0.000 1.092 327 L CA 1.221 56.192 54.840 0.217 0.000 0.759 327 L CB -1.490 40.737 42.059 0.280 0.000 0.903 327 L HN 0.334 nan 8.230 nan 0.000 0.435 328 G N -0.312 108.617 108.800 0.215 0.000 2.418 328 G HA2 -0.250 3.667 3.960 -0.072 0.000 0.217 328 G HA3 -0.250 3.667 3.960 -0.072 0.000 0.217 328 G C 1.628 176.656 174.900 0.213 0.000 1.158 328 G CA 0.517 45.807 45.100 0.316 0.000 0.771 328 G HN 0.207 nan 8.290 nan 0.000 0.545 329 M N -0.589 118.888 119.600 -0.206 0.000 2.229 329 M HA 0.101 4.538 4.480 -0.072 0.000 0.264 329 M C 2.279 178.524 176.300 -0.091 0.000 1.063 329 M CA 0.856 55.890 55.300 -0.443 0.000 1.114 329 M CB -0.288 32.011 32.600 -0.501 0.000 1.387 329 M HN 0.279 nan 8.290 nan 0.000 0.420 330 F N 1.291 121.008 119.950 -0.388 0.000 2.102 330 F HA -0.222 4.262 4.527 -0.073 0.000 0.298 330 F C 1.955 177.515 175.800 -0.399 0.000 1.105 330 F CA 1.304 58.806 58.000 -0.831 0.000 1.239 330 F CB -0.315 38.136 39.000 -0.915 0.000 0.991 330 F HN -0.024 nan 8.300 nan 0.000 0.474 331 L N 0.062 121.203 121.223 -0.138 0.000 1.994 331 L HA -0.205 4.092 4.340 -0.072 0.000 0.208 331 L C 2.322 179.139 176.870 -0.088 0.000 1.071 331 L CA 2.232 56.997 54.840 -0.126 0.000 0.745 331 L CB -1.709 40.382 42.059 0.054 0.000 0.892 331 L HN 0.428 nan 8.230 nan 0.000 0.431 332 Y N 0.398 120.673 120.300 -0.042 0.000 2.114 332 Y HA -0.282 4.224 4.550 -0.073 0.000 0.282 332 Y C 2.396 178.259 175.900 -0.061 0.000 1.165 332 Y CA 2.291 60.411 58.100 0.033 0.000 1.148 332 Y CB -0.228 38.405 38.460 0.288 0.000 0.972 332 Y HN 0.295 nan 8.280 nan 0.000 0.504 333 E N -0.735 119.381 120.200 -0.140 0.000 2.110 333 E HA -0.231 4.076 4.350 -0.072 0.000 0.193 333 E C 2.048 178.432 176.600 -0.359 0.000 0.988 333 E CA 1.476 57.711 56.400 -0.275 0.000 0.804 333 E CB -0.764 28.910 29.700 -0.044 0.000 0.745 333 E HN 0.651 nan 8.360 nan 0.000 0.458 334 Y N 0.819 120.785 120.300 -0.557 0.000 2.286 334 Y HA -0.028 4.479 4.550 -0.072 0.000 0.293 334 Y C 2.239 177.947 175.900 -0.319 0.000 1.124 334 Y CA 1.015 58.819 58.100 -0.493 0.000 1.178 334 Y CB -0.264 37.713 38.460 -0.805 0.000 1.010 334 Y HN 0.007 nan 8.280 nan 0.000 0.536 335 A N 1.186 123.933 122.820 -0.122 0.000 1.855 335 A HA -0.200 4.077 4.320 -0.072 0.000 0.215 335 A C 2.347 179.811 177.584 -0.201 0.000 1.191 335 A CA 1.867 53.826 52.037 -0.130 0.000 0.613 335 A CB -0.789 18.119 19.000 -0.153 0.000 0.829 335 A HN 0.558 nan 8.150 nan 0.000 0.442 336 R N 0.555 120.869 120.500 -0.310 0.000 2.117 336 R HA -0.200 4.097 4.340 -0.072 0.000 0.243 336 R C 1.787 177.910 176.300 -0.294 0.000 1.143 336 R CA 1.856 57.756 56.100 -0.333 0.000 0.968 336 R CB -0.556 29.441 30.300 -0.506 0.000 0.863 336 R HN 0.629 nan 8.270 nan 0.000 0.444 337 R N -0.331 119.964 120.500 -0.341 0.000 2.334 337 R HA 0.120 4.417 4.340 -0.072 0.000 0.220 337 R C -0.189 175.748 176.300 -0.605 0.000 0.917 337 R CA 0.130 55.976 56.100 -0.424 0.000 1.073 337 R CB 0.139 30.160 30.300 -0.464 0.000 1.056 337 R HN 0.319 nan 8.270 nan 0.000 0.506 338 H N 1.509 120.363 119.070 -0.362 0.000 2.439 338 H HA 0.209 4.722 4.556 -0.072 0.000 0.230 338 H C -1.989 173.163 175.328 -0.293 0.000 1.420 338 H CA -1.725 54.052 56.048 -0.452 0.000 1.305 338 H CB 1.742 31.056 29.762 -0.747 0.000 1.667 338 H HN 0.143 nan 8.280 nan 0.000 0.515 339 P HA -0.069 nan 4.420 nan 0.000 0.237 339 P C 0.775 178.061 177.300 -0.023 0.000 1.178 339 P CA 0.660 63.707 63.100 -0.087 0.000 0.766 339 P CB 0.354 31.993 31.700 -0.102 0.000 0.876 340 D N -2.205 118.198 120.400 0.006 0.000 2.340 340 D HA -0.071 4.526 4.640 -0.072 0.000 0.220 340 D C 0.166 176.644 176.300 0.298 0.000 1.039 340 D CA 0.096 54.164 54.000 0.112 0.000 0.866 340 D CB -0.434 40.436 40.800 0.117 0.000 0.913 340 D HN 0.095 nan 8.370 nan 0.000 0.523 341 Y N 1.557 121.858 120.300 0.002 0.000 2.457 341 Y HA 0.361 4.867 4.550 -0.073 0.000 0.333 341 Y C 1.013 176.868 175.900 -0.076 0.000 1.119 341 Y CA -2.513 55.553 58.100 -0.055 0.000 1.143 341 Y CB 1.544 39.941 38.460 -0.105 0.000 1.230 341 Y HN -0.130 nan 8.280 nan 0.000 0.469 342 S N -0.147 115.585 115.700 0.053 0.000 2.601 342 S HA 0.272 4.699 4.470 -0.072 0.000 0.271 342 S C 0.911 175.494 174.600 -0.028 0.000 1.305 342 S CA -0.684 57.512 58.200 -0.006 0.000 1.022 342 S CB 1.104 64.286 63.200 -0.031 0.000 0.940 342 S HN 0.401 nan 8.310 nan 0.000 0.525 343 V N 2.244 122.129 119.914 -0.048 0.000 2.324 343 V HA -0.210 3.867 4.120 -0.072 0.000 0.250 343 V C 2.633 178.703 176.094 -0.039 0.000 1.060 343 V CA 2.163 64.411 62.300 -0.087 0.000 1.042 343 V CB -1.331 30.415 31.823 -0.128 0.000 0.650 343 V HN 0.916 nan 8.190 nan 0.000 0.450 344 V N -1.441 118.471 119.914 -0.004 0.000 2.490 344 V HA -0.191 3.886 4.120 -0.072 0.000 0.250 344 V C 2.328 178.364 176.094 -0.097 0.000 1.061 344 V CA 2.008 64.289 62.300 -0.032 0.000 1.064 344 V CB -0.879 30.927 31.823 -0.029 0.000 0.670 344 V HN 0.455 nan 8.190 nan 0.000 0.461 345 L N 0.175 121.322 121.223 -0.127 0.000 2.005 345 L HA -0.016 4.281 4.340 -0.072 0.000 0.207 345 L C 2.365 179.089 176.870 -0.242 0.000 1.072 345 L CA 1.902 56.613 54.840 -0.214 0.000 0.744 345 L CB -0.691 41.188 42.059 -0.299 0.000 0.895 345 L HN 0.264 nan 8.230 nan 0.000 0.433 346 L N -0.922 120.195 121.223 -0.177 0.000 2.013 346 L HA -0.298 3.999 4.340 -0.072 0.000 0.212 346 L C 2.572 179.313 176.870 -0.215 0.000 1.073 346 L CA 1.681 56.391 54.840 -0.216 0.000 0.753 346 L CB -0.704 41.272 42.059 -0.139 0.000 0.890 346 L HN 0.329 nan 8.230 nan 0.000 0.432 347 L N -0.922 120.217 121.223 -0.140 0.000 2.191 347 L HA -0.189 4.108 4.340 -0.072 0.000 0.212 347 L C 2.787 179.583 176.870 -0.124 0.000 1.103 347 L CA 1.078 55.860 54.840 -0.098 0.000 0.769 347 L CB -0.458 41.569 42.059 -0.053 0.000 0.908 347 L HN 0.244 nan 8.230 nan 0.000 0.438 348 R N -0.148 120.251 120.500 -0.169 0.000 2.090 348 R HA -0.071 4.226 4.340 -0.072 0.000 0.228 348 R C 2.299 178.451 176.300 -0.247 0.000 1.110 348 R CA 0.950 56.944 56.100 -0.178 0.000 0.973 348 R CB -0.250 29.938 30.300 -0.187 0.000 0.869 348 R HN 0.308 nan 8.270 nan 0.000 0.440 349 L N 0.237 121.222 121.223 -0.397 0.000 1.994 349 L HA -0.165 4.132 4.340 -0.072 0.000 0.208 349 L C 2.699 179.371 176.870 -0.331 0.000 1.071 349 L CA 1.374 55.810 54.840 -0.674 0.000 0.745 349 L CB -0.705 40.708 42.059 -1.077 0.000 0.892 349 L HN 0.238 nan 8.230 nan 0.000 0.431 350 A N -0.004 122.739 122.820 -0.129 0.000 1.978 350 A HA -0.269 4.008 4.320 -0.072 0.000 0.220 350 A C 2.285 179.877 177.584 0.014 0.000 1.170 350 A CA 2.099 54.175 52.037 0.065 0.000 0.636 350 A CB -0.399 18.662 19.000 0.102 0.000 0.810 350 A HN 0.237 nan 8.150 nan 0.000 0.448 351 K N -0.628 119.752 120.400 -0.033 0.000 2.228 351 K HA -0.002 4.275 4.320 -0.072 0.000 0.202 351 K C 1.840 178.431 176.600 -0.015 0.000 1.051 351 K CA 1.807 58.083 56.287 -0.018 0.000 0.960 351 K CB -0.570 31.910 32.500 -0.034 0.000 0.743 351 K HN 0.401 nan 8.250 nan 0.000 0.458 352 T N -0.148 114.396 114.554 -0.017 0.000 2.812 352 T HA -0.099 4.208 4.350 -0.072 0.000 0.264 352 T C 1.260 176.022 174.700 0.104 0.000 1.042 352 T CA 1.179 63.310 62.100 0.051 0.000 1.140 352 T CB -0.478 68.443 68.868 0.090 0.000 0.870 352 T HN 0.230 nan 8.240 nan 0.000 0.445 353 Y N 2.137 122.412 120.300 -0.042 0.000 2.089 353 Y HA -0.150 4.357 4.550 -0.072 0.000 0.282 353 Y C 2.574 178.335 175.900 -0.231 0.000 1.139 353 Y CA 1.856 59.852 58.100 -0.174 0.000 1.123 353 Y CB -0.490 37.603 38.460 -0.612 0.000 0.980 353 Y HN 0.267 nan 8.280 nan 0.000 0.493 354 E N -0.860 119.210 120.200 -0.217 0.000 2.049 354 E HA -0.259 4.048 4.350 -0.072 0.000 0.198 354 E C 1.980 178.452 176.600 -0.212 0.000 1.007 354 E CA 2.387 58.648 56.400 -0.233 0.000 0.809 354 E CB -0.347 29.352 29.700 -0.003 0.000 0.749 354 E HN 0.503 nan 8.360 nan 0.000 0.450 355 T N -0.041 114.451 114.554 -0.104 0.000 2.803 355 T HA -0.145 4.162 4.350 -0.072 0.000 0.269 355 T C 1.804 176.441 174.700 -0.106 0.000 1.052 355 T CA 1.722 63.782 62.100 -0.066 0.000 1.136 355 T CB -0.393 68.459 68.868 -0.026 0.000 0.864 355 T HN 0.265 nan 8.240 nan 0.000 0.467 356 T N 1.926 116.382 114.554 -0.164 0.000 2.857 356 T HA 0.157 4.464 4.350 -0.072 0.000 0.266 356 T C 1.921 176.470 174.700 -0.251 0.000 1.048 356 T CA 0.600 62.602 62.100 -0.164 0.000 1.139 356 T CB -0.199 68.589 68.868 -0.133 0.000 0.874 356 T HN 0.282 nan 8.240 nan 0.000 0.455 357 L N 0.639 121.569 121.223 -0.489 0.000 2.109 357 L HA 0.001 4.298 4.340 -0.072 0.000 0.207 357 L C 2.839 179.528 176.870 -0.302 0.000 1.086 357 L CA 0.981 55.467 54.840 -0.590 0.000 0.760 357 L CB -0.538 40.771 42.059 -1.249 0.000 0.910 357 L HN 0.140 nan 8.230 nan 0.000 0.437 358 E N 0.774 120.860 120.200 -0.190 0.000 2.097 358 E HA -0.233 4.074 4.350 -0.072 0.000 0.196 358 E C 2.300 178.911 176.600 0.018 0.000 1.000 358 E CA 2.025 58.444 56.400 0.031 0.000 0.804 358 E CB -0.063 29.671 29.700 0.056 0.000 0.740 358 E HN 0.472 nan 8.360 nan 0.000 0.454 359 K N -0.489 119.901 120.400 -0.018 0.000 2.098 359 K HA 0.063 4.340 4.320 -0.072 0.000 0.203 359 K C 2.440 179.045 176.600 0.009 0.000 1.051 359 K CA 0.957 57.244 56.287 0.001 0.000 0.957 359 K CB -1.241 31.256 32.500 -0.005 0.000 0.738 359 K HN 0.236 nan 8.250 nan 0.000 0.447 360 c N 0.943 119.546 118.600 0.004 0.000 2.425 360 c HA 0.052 4.579 4.570 -0.072 0.000 0.277 360 c C 2.786 176.925 174.090 0.083 0.000 1.280 360 c CA 0.725 57.085 56.329 0.052 0.000 1.744 360 c CB -1.373 41.211 42.510 0.124 0.000 1.989 360 c HN 0.749 nan 8.230 nan 0.000 0.491 361 c N 1.046 119.688 118.600 0.069 0.000 2.525 361 c HA 0.213 4.740 4.570 -0.072 0.000 0.279 361 c C 2.238 176.374 174.090 0.076 0.000 1.437 361 c CA 0.802 57.187 56.329 0.094 0.000 1.704 361 c CB -2.133 40.439 42.510 0.104 0.000 1.672 361 c HN 0.703 nan 8.230 nan 0.000 0.582 362 A N -0.497 122.356 122.820 0.056 0.000 2.431 362 A HA 0.675 4.952 4.320 -0.072 0.000 0.239 362 A C 1.040 178.642 177.584 0.031 0.000 1.230 362 A CA 0.516 52.578 52.037 0.042 0.000 0.928 362 A CB -0.057 18.965 19.000 0.037 0.000 1.006 362 A HN 0.449 nan 8.150 nan 0.000 0.520 363 A N -0.804 122.035 122.820 0.031 0.000 2.240 363 A HA 0.727 5.004 4.320 -0.072 0.000 0.292 363 A C 1.572 179.165 177.584 0.016 0.000 1.121 363 A CA 0.261 52.309 52.037 0.018 0.000 0.851 363 A CB -0.034 18.972 19.000 0.010 0.000 1.167 363 A HN 0.960 nan 8.150 nan 0.000 0.503 364 A N -1.076 121.748 122.820 0.006 0.000 1.840 364 A HA 0.336 4.613 4.320 -0.072 0.000 0.214 364 A C 1.190 178.775 177.584 0.001 0.000 1.198 364 A CA 1.984 54.023 52.037 0.003 0.000 0.608 364 A CB -0.994 18.005 19.000 -0.002 0.000 0.839 364 A HN 1.329 nan 8.150 nan 0.000 0.443 365 D N -0.465 119.930 120.400 -0.009 0.000 2.458 365 D HA 0.521 5.118 4.640 -0.072 0.000 0.258 365 D C -1.811 174.465 176.300 -0.040 0.000 1.134 365 D CA -1.277 52.712 54.000 -0.018 0.000 0.915 365 D CB 0.468 41.253 40.800 -0.025 0.000 1.028 365 D HN 0.152 nan 8.370 nan 0.000 0.508 366 P HA -0.246 nan 4.420 nan 0.000 0.214 366 P C 1.638 178.689 177.300 -0.416 0.000 1.163 366 P CA 1.104 64.186 63.100 -0.029 0.000 0.889 366 P CB 0.088 31.881 31.700 0.153 0.000 0.790 367 H N 0.024 118.761 119.070 -0.555 0.000 2.325 367 H HA -0.237 4.277 4.556 -0.071 0.000 0.293 367 H C 1.917 176.832 175.328 -0.688 0.000 1.106 367 H CA 2.788 58.305 56.048 -0.885 0.000 1.247 367 H CB -0.441 29.103 29.762 -0.363 0.000 1.359 367 H HN 0.127 nan 8.280 nan 0.000 0.488 368 E N 0.666 120.750 120.200 -0.192 0.000 2.051 368 E HA -0.181 4.126 4.350 -0.072 0.000 0.192 368 E C 2.672 179.146 176.600 -0.210 0.000 0.991 368 E CA 1.213 57.538 56.400 -0.125 0.000 0.799 368 E CB -1.528 28.148 29.700 -0.040 0.000 0.748 368 E HN 0.647 nan 8.360 nan 0.000 0.449 369 c N 0.492 118.970 118.600 -0.202 0.000 2.413 369 c HA -0.110 4.417 4.570 -0.072 0.000 0.277 369 c C 2.502 176.537 174.090 -0.092 0.000 1.228 369 c CA 1.444 57.704 56.329 -0.115 0.000 1.731 369 c CB -1.216 41.261 42.510 -0.056 0.000 2.042 369 c HN 0.847 nan 8.230 nan 0.000 0.468 370 Y N 0.757 120.988 120.300 -0.116 0.000 2.495 370 Y HA 0.618 5.125 4.550 -0.071 0.000 0.293 370 Y C 1.591 177.386 175.900 -0.174 0.000 1.186 370 Y CA -0.097 57.922 58.100 -0.135 0.000 1.266 370 Y CB -1.389 36.983 38.460 -0.147 0.000 1.101 370 Y HN 0.215 nan 8.280 nan 0.000 0.517 371 A N 1.132 123.817 122.820 -0.225 0.000 2.067 371 A HA 0.046 4.323 4.320 -0.072 0.000 0.217 371 A C 1.598 179.105 177.584 -0.127 0.000 1.156 371 A CA 0.599 52.481 52.037 -0.260 0.000 0.683 371 A CB -0.177 18.619 19.000 -0.339 0.000 0.808 371 A HN 0.440 nan 8.150 nan 0.000 0.455 372 K N -0.312 120.047 120.400 -0.067 0.000 2.861 372 K HA 0.261 4.538 4.320 -0.072 0.000 0.210 372 K C 0.789 177.386 176.600 -0.005 0.000 1.112 372 K CA -0.079 56.185 56.287 -0.040 0.000 1.076 372 K CB 0.820 33.307 32.500 -0.022 0.000 0.853 372 K HN 0.149 nan 8.250 nan 0.000 0.463 373 V N 0.350 120.268 119.914 0.007 0.000 2.490 373 V HA -0.207 3.870 4.120 -0.072 0.000 0.250 373 V C 1.277 177.272 176.094 -0.166 0.000 1.061 373 V CA 1.756 64.059 62.300 0.005 0.000 1.064 373 V CB -0.334 31.552 31.823 0.105 0.000 0.670 373 V HN 0.321 nan 8.190 nan 0.000 0.461 374 F N 0.838 120.498 119.950 -0.483 0.000 2.604 374 F HA 0.029 4.514 4.527 -0.070 0.000 0.298 374 F C 1.923 177.620 175.800 -0.172 0.000 1.131 374 F CA 1.160 58.831 58.000 -0.549 0.000 1.457 374 F CB -0.951 37.919 39.000 -0.217 0.000 1.095 374 F HN 0.366 nan 8.300 nan 0.000 0.574 375 D N -0.701 119.751 120.400 0.086 0.000 2.323 375 D HA -0.064 4.533 4.640 -0.072 0.000 0.209 375 D C 1.984 178.348 176.300 0.106 0.000 0.973 375 D CA 0.531 54.588 54.000 0.095 0.000 0.874 375 D CB 0.017 40.855 40.800 0.062 0.000 0.930 375 D HN 0.226 nan 8.370 nan 0.000 0.521 376 E N -0.326 119.942 120.200 0.114 0.000 2.299 376 E HA -0.051 4.256 4.350 -0.072 0.000 0.193 376 E C 1.078 177.876 176.600 0.330 0.000 0.998 376 E CA 0.377 56.886 56.400 0.183 0.000 0.851 376 E CB 0.135 29.948 29.700 0.188 0.000 0.795 376 E HN 0.324 nan 8.360 nan 0.000 0.492 377 F N 1.693 121.656 119.950 0.022 0.000 2.234 377 F HA -0.020 4.466 4.527 -0.069 0.000 0.296 377 F C 2.348 178.117 175.800 -0.051 0.000 1.089 377 F CA 0.504 58.471 58.000 -0.054 0.000 1.343 377 F CB -0.744 38.190 39.000 -0.111 0.000 1.040 377 F HN -0.069 nan 8.300 nan 0.000 0.498 378 K N 0.473 120.995 120.400 0.204 0.000 2.034 378 K HA -0.221 4.056 4.320 -0.072 0.000 0.214 378 K C -0.603 176.023 176.600 0.043 0.000 1.051 378 K CA 2.157 58.508 56.287 0.107 0.000 0.931 378 K CB -1.281 31.280 32.500 0.102 0.000 0.715 378 K HN 0.108 nan 8.250 nan 0.000 0.446 379 P HA -0.154 nan 4.420 nan 0.000 0.215 379 P C 1.235 178.514 177.300 -0.035 0.000 1.153 379 P CA 1.246 64.350 63.100 0.006 0.000 0.853 379 P CB 0.004 31.714 31.700 0.017 0.000 0.788 380 L N -1.406 119.787 121.223 -0.051 0.000 2.131 380 L HA -0.124 4.173 4.340 -0.072 0.000 0.210 380 L C 2.181 178.937 176.870 -0.191 0.000 1.092 380 L CA 1.233 55.999 54.840 -0.123 0.000 0.759 380 L CB -0.851 41.107 42.059 -0.169 0.000 0.903 380 L HN -0.091 nan 8.230 nan 0.000 0.435 381 V N -0.513 119.283 119.914 -0.197 0.000 2.649 381 V HA -0.150 3.927 4.120 -0.072 0.000 0.248 381 V C 2.167 178.144 176.094 -0.195 0.000 1.054 381 V CA 1.275 63.396 62.300 -0.299 0.000 1.073 381 V CB -0.235 31.413 31.823 -0.291 0.000 0.699 381 V HN 0.438 nan 8.190 nan 0.000 0.463 382 E N -0.336 119.801 120.200 -0.104 0.000 2.230 382 E HA -0.142 4.165 4.350 -0.072 0.000 0.192 382 E C 2.166 178.729 176.600 -0.062 0.000 0.987 382 E CA 0.425 56.787 56.400 -0.064 0.000 0.841 382 E CB -0.004 29.680 29.700 -0.027 0.000 0.783 382 E HN 0.511 nan 8.360 nan 0.000 0.481 383 E N 1.332 121.489 120.200 -0.071 0.000 2.012 383 E HA -0.161 4.146 4.350 -0.072 0.000 0.197 383 E C -0.718 175.845 176.600 -0.061 0.000 1.007 383 E CA 1.588 57.953 56.400 -0.058 0.000 0.816 383 E CB -0.975 28.688 29.700 -0.062 0.000 0.762 383 E HN 0.108 nan 8.360 nan 0.000 0.451 384 P HA -0.157 nan 4.420 nan 0.000 0.215 384 P C 1.481 178.744 177.300 -0.062 0.000 1.157 384 P CA 1.849 64.900 63.100 -0.081 0.000 0.874 384 P CB -0.180 31.445 31.700 -0.124 0.000 0.790 385 Q N -0.949 118.808 119.800 -0.072 0.000 2.045 385 Q HA -0.202 4.095 4.340 -0.072 0.000 0.206 385 Q C 2.010 177.996 176.000 -0.023 0.000 0.991 385 Q CA 1.430 57.207 55.803 -0.043 0.000 0.851 385 Q CB -0.675 28.039 28.738 -0.040 0.000 0.911 385 Q HN 0.338 nan 8.270 nan 0.000 0.418 386 N N 0.667 119.355 118.700 -0.021 0.000 2.084 386 N HA -0.144 4.553 4.740 -0.072 0.000 0.190 386 N C 1.826 177.336 175.510 -0.001 0.000 1.030 386 N CA 0.792 53.838 53.050 -0.007 0.000 0.849 386 N CB -0.354 38.129 38.487 -0.007 0.000 1.012 386 N HN 0.102 nan 8.380 nan 0.000 0.423 387 L N 1.561 122.781 121.223 -0.006 0.000 1.990 387 L HA -0.134 4.163 4.340 -0.072 0.000 0.213 387 L C 2.033 178.911 176.870 0.014 0.000 1.072 387 L CA 1.349 56.193 54.840 0.007 0.000 0.755 387 L CB -0.524 41.536 42.059 0.001 0.000 0.889 387 L HN 0.088 nan 8.230 nan 0.000 0.432 388 I N -0.469 120.099 120.570 -0.003 0.000 2.179 388 I HA -0.307 3.820 4.170 -0.072 0.000 0.242 388 I C 2.485 178.600 176.117 -0.005 0.000 1.088 388 I CA 1.376 62.670 61.300 -0.010 0.000 1.357 388 I CB -1.286 36.699 38.000 -0.025 0.000 1.051 388 I HN 0.416 nan 8.210 nan 0.000 0.409 389 K N 0.768 121.168 120.400 0.000 0.000 2.032 389 K HA -0.232 4.045 4.320 -0.072 0.000 0.209 389 K C 2.146 178.756 176.600 0.017 0.000 1.048 389 K CA 1.627 57.918 56.287 0.007 0.000 0.927 389 K CB 0.023 32.528 32.500 0.008 0.000 0.712 389 K HN 0.391 nan 8.250 nan 0.000 0.441 390 Q N 0.108 119.923 119.800 0.025 0.000 1.967 390 Q HA -0.139 4.158 4.340 -0.072 0.000 0.202 390 Q C 1.971 178.008 176.000 0.062 0.000 0.985 390 Q CA 1.545 57.373 55.803 0.042 0.000 0.839 390 Q CB -0.229 28.536 28.738 0.046 0.000 0.906 390 Q HN 0.400 nan 8.270 nan 0.000 0.423 391 N N 0.215 118.962 118.700 0.079 0.000 2.272 391 N HA -0.136 4.561 4.740 -0.072 0.000 0.185 391 N C 1.752 177.277 175.510 0.025 0.000 1.014 391 N CA 0.940 54.067 53.050 0.129 0.000 0.870 391 N CB -0.203 38.393 38.487 0.181 0.000 0.975 391 N HN 0.273 nan 8.380 nan 0.000 0.433 392 c N 0.955 119.545 118.600 -0.017 0.000 2.475 392 c HA 0.033 4.560 4.570 -0.072 0.000 0.279 392 c C 2.567 176.666 174.090 0.015 0.000 1.322 392 c CA 0.085 56.380 56.329 -0.056 0.000 1.734 392 c CB -0.632 41.843 42.510 -0.059 0.000 2.005 392 c HN 0.479 nan 8.230 nan 0.000 0.495 393 E N 0.403 120.619 120.200 0.027 0.000 2.051 393 E HA -0.243 4.064 4.350 -0.072 0.000 0.192 393 E C 1.977 178.604 176.600 0.046 0.000 0.991 393 E CA 1.123 57.544 56.400 0.036 0.000 0.799 393 E CB -0.276 29.444 29.700 0.034 0.000 0.748 393 E HN 0.473 nan 8.360 nan 0.000 0.449 394 L N 0.445 121.709 121.223 0.069 0.000 2.012 394 L HA -0.193 4.104 4.340 -0.072 0.000 0.210 394 L C 2.106 179.007 176.870 0.051 0.000 1.073 394 L CA 1.615 56.516 54.840 0.101 0.000 0.748 394 L CB -0.541 41.643 42.059 0.208 0.000 0.891 394 L HN 0.086 nan 8.230 nan 0.000 0.431 395 F N 0.691 120.480 119.950 -0.268 0.000 2.095 395 F HA -0.245 4.240 4.527 -0.069 0.000 0.298 395 F C 2.434 178.111 175.800 -0.205 0.000 1.104 395 F CA 2.108 59.818 58.000 -0.484 0.000 1.232 395 F CB -0.300 38.267 39.000 -0.722 0.000 0.987 395 F HN 0.213 nan 8.300 nan 0.000 0.475 396 E N -0.609 119.627 120.200 0.061 0.000 2.219 396 E HA -0.291 4.016 4.350 -0.072 0.000 0.198 396 E C 2.159 178.730 176.600 -0.047 0.000 0.998 396 E CA 1.343 57.759 56.400 0.025 0.000 0.818 396 E CB -0.196 29.534 29.700 0.050 0.000 0.741 396 E HN 0.616 nan 8.360 nan 0.000 0.477 397 Q N -0.312 119.458 119.800 -0.050 0.000 2.165 397 Q HA 0.011 4.308 4.340 -0.072 0.000 0.197 397 Q C 2.179 178.141 176.000 -0.063 0.000 0.952 397 Q CA 0.461 56.241 55.803 -0.037 0.000 0.848 397 Q CB 0.346 29.083 28.738 -0.002 0.000 0.931 397 Q HN 0.287 nan 8.270 nan 0.000 0.470 398 L N -0.799 120.367 121.223 -0.096 0.000 2.307 398 L HA 0.207 4.504 4.340 -0.072 0.000 0.211 398 L C 1.032 177.804 176.870 -0.162 0.000 1.099 398 L CA 0.488 55.277 54.840 -0.085 0.000 0.816 398 L CB -0.095 41.961 42.059 -0.004 0.000 0.952 398 L HN 0.270 nan 8.230 nan 0.000 0.455 399 G N 0.638 109.212 108.800 -0.377 0.000 2.712 399 G HA2 -0.256 3.661 3.960 -0.072 0.000 0.683 399 G HA3 -0.256 3.661 3.960 -0.072 0.000 0.683 399 G C 0.230 174.808 174.900 -0.538 0.000 1.320 399 G CA 0.071 44.929 45.100 -0.402 0.000 0.847 399 G HN 0.242 nan 8.290 nan 0.000 0.553 400 E N -0.941 119.054 120.200 -0.342 0.000 2.072 400 E HA -0.135 4.172 4.350 -0.072 0.000 0.191 400 E C 1.977 178.648 176.600 0.117 0.000 0.985 400 E CA 1.720 58.078 56.400 -0.070 0.000 0.801 400 E CB -0.141 29.663 29.700 0.173 0.000 0.750 400 E HN 0.639 nan 8.360 nan 0.000 0.452 401 Y N 1.493 121.792 120.300 -0.003 0.000 2.089 401 Y HA -0.228 4.278 4.550 -0.073 0.000 0.282 401 Y C 2.504 178.418 175.900 0.023 0.000 1.139 401 Y CA 2.190 60.301 58.100 0.019 0.000 1.123 401 Y CB -0.560 37.901 38.460 0.003 0.000 0.980 401 Y HN -0.154 nan 8.280 nan 0.000 0.493 402 K N -0.136 120.204 120.400 -0.099 0.000 2.103 402 K HA -0.193 4.084 4.320 -0.072 0.000 0.207 402 K C 1.966 178.518 176.600 -0.080 0.000 1.048 402 K CA 1.382 57.571 56.287 -0.163 0.000 0.930 402 K CB -1.390 31.088 32.500 -0.036 0.000 0.716 402 K HN 0.544 nan 8.250 nan 0.000 0.444 403 F N 2.084 121.937 119.950 -0.162 0.000 2.134 403 F HA -0.192 4.290 4.527 -0.076 0.000 0.299 403 F C 2.355 178.129 175.800 -0.044 0.000 1.097 403 F CA 1.653 59.611 58.000 -0.070 0.000 1.264 403 F CB -0.354 38.640 39.000 -0.011 0.000 1.001 403 F HN 0.190 nan 8.300 nan 0.000 0.479 404 Q N -0.179 119.606 119.800 -0.024 0.000 2.135 404 Q HA -0.220 4.077 4.340 -0.072 0.000 0.204 404 Q C 1.907 177.773 176.000 -0.223 0.000 0.981 404 Q CA 1.513 57.239 55.803 -0.129 0.000 0.856 404 Q CB -0.360 28.351 28.738 -0.045 0.000 0.902 404 Q HN 0.439 nan 8.270 nan 0.000 0.425 405 N N 0.716 119.251 118.700 -0.275 0.000 2.106 405 N HA -0.109 4.588 4.740 -0.072 0.000 0.188 405 N C 1.706 177.099 175.510 -0.195 0.000 1.029 405 N CA 1.348 54.243 53.050 -0.258 0.000 0.848 405 N CB -0.416 37.871 38.487 -0.333 0.000 1.007 405 N HN 0.225 nan 8.380 nan 0.000 0.423 406 A N 1.244 123.940 122.820 -0.207 0.000 1.940 406 A HA -0.077 4.200 4.320 -0.072 0.000 0.219 406 A C 2.357 179.814 177.584 -0.211 0.000 1.176 406 A CA 0.997 52.925 52.037 -0.182 0.000 0.631 406 A CB -0.714 18.183 19.000 -0.173 0.000 0.814 406 A HN 0.229 nan 8.150 nan 0.000 0.446 407 L N -1.076 119.959 121.223 -0.313 0.000 2.156 407 L HA -0.096 4.201 4.340 -0.072 0.000 0.208 407 L C 2.489 179.315 176.870 -0.074 0.000 1.095 407 L CA 0.646 55.349 54.840 -0.228 0.000 0.770 407 L CB -0.364 41.477 42.059 -0.363 0.000 0.914 407 L HN 0.372 nan 8.230 nan 0.000 0.439 408 L N -1.158 119.999 121.223 -0.109 0.000 2.056 408 L HA -0.185 4.112 4.340 -0.072 0.000 0.207 408 L C 2.479 179.334 176.870 -0.025 0.000 1.078 408 L CA 0.824 55.628 54.840 -0.060 0.000 0.749 408 L CB -0.377 41.634 42.059 -0.081 0.000 0.901 408 L HN 0.024 nan 8.230 nan 0.000 0.433 409 V N -0.557 119.329 119.914 -0.046 0.000 2.295 409 V HA -0.311 3.766 4.120 -0.072 0.000 0.246 409 V C 2.879 178.954 176.094 -0.032 0.000 1.049 409 V CA 1.836 64.117 62.300 -0.032 0.000 1.024 409 V CB -0.625 31.174 31.823 -0.040 0.000 0.648 409 V HN 0.317 nan 8.190 nan 0.000 0.447 410 R N -1.772 118.705 120.500 -0.038 0.000 2.070 410 R HA -0.149 4.148 4.340 -0.072 0.000 0.233 410 R C 2.131 178.365 176.300 -0.111 0.000 1.137 410 R CA 1.824 57.882 56.100 -0.070 0.000 0.945 410 R CB -1.126 29.132 30.300 -0.071 0.000 0.845 410 R HN 0.755 nan 8.270 nan 0.000 0.430 411 Y N 0.931 121.170 120.300 -0.101 0.000 2.293 411 Y HA -0.123 4.388 4.550 -0.064 0.000 0.291 411 Y C 2.758 178.605 175.900 -0.088 0.000 1.137 411 Y CA 1.753 59.798 58.100 -0.092 0.000 1.202 411 Y CB -0.454 37.933 38.460 -0.122 0.000 0.990 411 Y HN 0.217 nan 8.280 nan 0.000 0.537 412 T N -0.467 114.099 114.554 0.020 0.000 2.857 412 T HA -0.134 4.173 4.350 -0.072 0.000 0.266 412 T C 1.764 176.395 174.700 -0.116 0.000 1.048 412 T CA 1.227 63.300 62.100 -0.044 0.000 1.139 412 T CB -0.102 68.748 68.868 -0.031 0.000 0.874 412 T HN 0.268 nan 8.240 nan 0.000 0.455 413 K N 0.927 121.269 120.400 -0.096 0.000 2.211 413 K HA -0.003 4.274 4.320 -0.072 0.000 0.203 413 K C 2.305 178.825 176.600 -0.133 0.000 1.050 413 K CA 0.898 57.120 56.287 -0.107 0.000 0.945 413 K CB 0.022 32.480 32.500 -0.070 0.000 0.732 413 K HN 0.297 nan 8.250 nan 0.000 0.451 414 K N 0.481 120.790 120.400 -0.152 0.000 2.044 414 K HA -0.040 4.237 4.320 -0.072 0.000 0.204 414 K C 0.859 177.387 176.600 -0.119 0.000 1.049 414 K CA 1.163 57.356 56.287 -0.156 0.000 0.945 414 K CB 0.359 32.710 32.500 -0.247 0.000 0.724 414 K HN 0.033 nan 8.250 nan 0.000 0.440 415 V N -1.485 118.367 119.914 -0.103 0.000 2.467 415 V HA 0.243 4.320 4.120 -0.072 0.000 0.260 415 V C -2.729 173.283 176.094 -0.137 0.000 0.963 415 V CA -1.611 60.639 62.300 -0.083 0.000 0.856 415 V CB 1.235 33.064 31.823 0.010 0.000 1.087 415 V HN -0.078 nan 8.190 nan 0.000 0.467 416 P HA -0.053 nan 4.420 nan 0.000 0.222 416 P C 1.332 178.459 177.300 -0.290 0.000 1.147 416 P CA 1.189 63.987 63.100 -0.503 0.000 0.790 416 P CB 0.300 31.160 31.700 -1.399 0.000 0.780 417 Q N -0.797 118.922 119.800 -0.135 0.000 2.230 417 Q HA -0.002 4.295 4.340 -0.072 0.000 0.202 417 Q C 0.610 176.637 176.000 0.045 0.000 0.963 417 Q CA 0.417 56.234 55.803 0.023 0.000 0.866 417 Q CB -1.024 27.763 28.738 0.082 0.000 0.931 417 Q HN 0.090 nan 8.270 nan 0.000 0.452 418 V N 2.406 122.343 119.914 0.039 0.000 2.720 418 V HA -0.060 4.017 4.120 -0.072 0.000 0.307 418 V C 0.568 176.687 176.094 0.042 0.000 1.071 418 V CA -0.013 62.331 62.300 0.074 0.000 1.199 418 V CB 0.385 32.245 31.823 0.062 0.000 0.900 418 V HN 0.386 nan 8.190 nan 0.000 0.494 419 S N 3.009 118.738 115.700 0.048 0.000 2.558 419 S HA -0.008 4.418 4.470 -0.072 0.000 0.288 419 S C 1.237 175.843 174.600 0.010 0.000 1.318 419 S CA 0.118 58.333 58.200 0.025 0.000 1.056 419 S CB 0.725 63.936 63.200 0.019 0.000 0.853 419 S HN 0.799 nan 8.310 nan 0.000 0.505 420 T N 3.894 118.450 114.554 0.003 0.000 2.759 420 T HA -0.031 4.276 4.350 -0.072 0.000 0.269 420 T C -0.936 173.754 174.700 -0.018 0.000 1.042 420 T CA 1.646 63.740 62.100 -0.010 0.000 1.140 420 T CB -1.369 67.490 68.868 -0.016 0.000 0.864 420 T HN 0.589 nan 8.240 nan 0.000 0.455 421 P HA -0.004 nan 4.420 nan 0.000 0.216 421 P C 1.619 178.907 177.300 -0.020 0.000 1.153 421 P CA 1.087 64.176 63.100 -0.018 0.000 0.844 421 P CB -0.193 31.499 31.700 -0.014 0.000 0.787 422 T N -0.447 114.098 114.554 -0.014 0.000 2.821 422 T HA -0.050 4.257 4.350 -0.072 0.000 0.267 422 T C 1.752 176.427 174.700 -0.042 0.000 1.046 422 T CA 0.948 63.037 62.100 -0.019 0.000 1.139 422 T CB -0.829 68.042 68.868 0.005 0.000 0.871 422 T HN 0.037 nan 8.240 nan 0.000 0.454 423 L N 0.626 121.828 121.223 -0.036 0.000 2.056 423 L HA -0.074 4.223 4.340 -0.072 0.000 0.207 423 L C 2.642 179.466 176.870 -0.076 0.000 1.078 423 L CA 0.834 55.642 54.840 -0.054 0.000 0.749 423 L CB -0.558 41.485 42.059 -0.027 0.000 0.901 423 L HN 0.144 nan 8.230 nan 0.000 0.433 424 V N -0.128 119.753 119.914 -0.054 0.000 2.261 424 V HA -0.299 3.778 4.120 -0.072 0.000 0.246 424 V C 2.505 178.563 176.094 -0.060 0.000 1.047 424 V CA 2.055 64.324 62.300 -0.052 0.000 1.015 424 V CB -0.422 31.381 31.823 -0.034 0.000 0.642 424 V HN 0.447 nan 8.190 nan 0.000 0.446 425 E N 0.388 120.556 120.200 -0.053 0.000 2.038 425 E HA -0.203 4.104 4.350 -0.072 0.000 0.195 425 E C 2.024 178.571 176.600 -0.089 0.000 1.000 425 E CA 2.028 58.397 56.400 -0.052 0.000 0.803 425 E CB -0.502 29.175 29.700 -0.038 0.000 0.750 425 E HN 0.331 nan 8.360 nan 0.000 0.448 426 V N 0.137 119.973 119.914 -0.130 0.000 2.427 426 V HA -0.212 3.865 4.120 -0.072 0.000 0.248 426 V C 2.355 178.278 176.094 -0.285 0.000 1.051 426 V CA 1.944 64.116 62.300 -0.214 0.000 1.048 426 V CB -0.494 31.176 31.823 -0.255 0.000 0.666 426 V HN 0.244 nan 8.190 nan 0.000 0.456 427 S N -0.604 114.942 115.700 -0.256 0.000 2.387 427 S HA -0.087 4.340 4.470 -0.072 0.000 0.226 427 S C 2.064 176.558 174.600 -0.176 0.000 1.026 427 S CA 0.969 59.005 58.200 -0.274 0.000 0.972 427 S CB -0.193 62.882 63.200 -0.209 0.000 0.814 427 S HN 0.551 nan 8.310 nan 0.000 0.477 428 R N 1.733 122.168 120.500 -0.108 0.000 2.073 428 R HA -0.002 4.295 4.340 -0.072 0.000 0.234 428 R C 1.903 178.178 176.300 -0.042 0.000 1.134 428 R CA 1.402 57.478 56.100 -0.040 0.000 0.952 428 R CB -0.538 29.758 30.300 -0.006 0.000 0.850 428 R HN 0.330 nan 8.270 nan 0.000 0.433 429 N N 1.233 119.883 118.700 -0.083 0.000 2.069 429 N HA -0.143 4.554 4.740 -0.072 0.000 0.191 429 N C 1.958 177.344 175.510 -0.207 0.000 1.031 429 N CA 1.176 54.163 53.050 -0.104 0.000 0.852 429 N CB -0.385 38.032 38.487 -0.117 0.000 1.018 429 N HN 0.186 nan 8.380 nan 0.000 0.423 430 L N 0.234 121.303 121.223 -0.256 0.000 2.127 430 L HA -0.100 4.197 4.340 -0.072 0.000 0.211 430 L C 2.312 179.113 176.870 -0.115 0.000 1.089 430 L CA 1.241 55.908 54.840 -0.289 0.000 0.757 430 L CB -0.743 41.097 42.059 -0.364 0.000 0.899 430 L HN 0.243 nan 8.230 nan 0.000 0.434 431 G N -0.297 108.500 108.800 -0.006 0.000 2.421 431 G HA2 -0.182 3.735 3.960 -0.072 0.000 0.217 431 G HA3 -0.182 3.735 3.960 -0.072 0.000 0.217 431 G C 1.617 176.660 174.900 0.238 0.000 1.143 431 G CA 0.132 45.398 45.100 0.276 0.000 0.784 431 G HN 0.303 nan 8.290 nan 0.000 0.541 432 K N 0.260 120.710 120.400 0.083 0.000 2.360 432 K HA 0.026 4.303 4.320 -0.072 0.000 0.201 432 K C 2.299 178.912 176.600 0.022 0.000 1.046 432 K CA 0.423 56.766 56.287 0.094 0.000 0.945 432 K CB 0.008 32.581 32.500 0.122 0.000 0.750 432 K HN 0.237 nan 8.250 nan 0.000 0.464 433 V N 0.664 120.490 119.914 -0.147 0.000 2.626 433 V HA -0.153 3.924 4.120 -0.072 0.000 0.252 433 V C 2.298 178.225 176.094 -0.278 0.000 1.067 433 V CA 2.043 64.237 62.300 -0.178 0.000 1.081 433 V CB -0.660 30.965 31.823 -0.330 0.000 0.686 433 V HN 0.458 nan 8.190 nan 0.000 0.468 434 G N 0.460 108.940 108.800 -0.532 0.000 2.404 434 G HA2 -0.252 3.665 3.960 -0.072 0.000 0.215 434 G HA3 -0.252 3.665 3.960 -0.072 0.000 0.215 434 G C 1.899 176.029 174.900 -1.284 0.000 1.174 434 G CA 1.252 45.480 45.100 -1.455 0.000 0.780 434 G HN 0.630 nan 8.290 nan 0.000 0.537 435 S N 0.793 116.110 115.700 -0.639 0.000 2.368 435 S HA 0.005 4.432 4.470 -0.072 0.000 0.224 435 S C 2.405 176.970 174.600 -0.057 0.000 1.029 435 S CA 2.135 60.279 58.200 -0.092 0.000 0.988 435 S CB -0.435 62.879 63.200 0.191 0.000 0.838 435 S HN 0.577 nan 8.310 nan 0.000 0.462 436 K N 0.425 120.802 120.400 -0.038 0.000 2.103 436 K HA 0.105 4.382 4.320 -0.072 0.000 0.204 436 K C 2.198 178.745 176.600 -0.088 0.000 1.052 436 K CA 1.419 57.708 56.287 0.004 0.000 0.945 436 K CB -1.421 31.127 32.500 0.079 0.000 0.722 436 K HN 0.719 nan 8.250 nan 0.000 0.443 437 c N -1.461 117.038 118.600 -0.167 0.000 2.689 437 c HA 0.127 4.654 4.570 -0.072 0.000 0.336 437 c C 2.721 176.708 174.090 -0.173 0.000 1.304 437 c CA -0.123 56.047 56.329 -0.265 0.000 1.860 437 c CB -0.486 41.897 42.510 -0.212 0.000 2.405 437 c HN 0.741 nan 8.230 nan 0.000 0.557 438 c N 1.788 120.269 118.600 -0.198 0.000 2.410 438 c HA -0.061 4.466 4.570 -0.072 0.000 0.281 438 c C 3.100 177.195 174.090 0.009 0.000 1.318 438 c CA 1.837 58.092 56.329 -0.124 0.000 1.776 438 c CB -1.457 40.925 42.510 -0.213 0.000 1.942 438 c HN 0.751 nan 8.230 nan 0.000 0.508 439 K N 0.066 120.511 120.400 0.075 0.000 2.147 439 K HA -0.104 4.173 4.320 -0.072 0.000 0.205 439 K C 0.677 177.369 176.600 0.153 0.000 1.049 439 K CA 1.274 57.634 56.287 0.122 0.000 0.936 439 K CB -0.798 31.781 32.500 0.132 0.000 0.722 439 K HN 0.722 nan 8.250 nan 0.000 0.446 440 H N 0.304 119.360 119.070 -0.023 0.000 2.757 440 H HA 0.253 4.768 4.556 -0.069 0.000 0.370 440 H C -2.027 173.293 175.328 -0.013 0.000 1.172 440 H CA -1.713 54.325 56.048 -0.017 0.000 1.426 440 H CB 0.594 30.345 29.762 -0.019 0.000 1.438 440 H HN 0.260 nan 8.280 nan 0.000 0.612 441 P HA 0.042 nan 4.420 nan 0.000 0.276 441 P C 0.302 177.639 177.300 0.062 0.000 1.252 441 P CA -0.377 62.754 63.100 0.052 0.000 0.802 441 P CB 1.242 32.955 31.700 0.021 0.000 1.035 442 E N 1.684 121.909 120.200 0.042 0.000 2.136 442 E HA -0.279 4.028 4.350 -0.072 0.000 0.208 442 E C 2.121 178.750 176.600 0.048 0.000 1.035 442 E CA 2.786 59.210 56.400 0.039 0.000 0.838 442 E CB -1.200 28.520 29.700 0.034 0.000 0.748 442 E HN 0.561 nan 8.360 nan 0.000 0.459 443 A N -0.040 122.809 122.820 0.048 0.000 1.927 443 A HA -0.250 4.027 4.320 -0.072 0.000 0.220 443 A C 2.219 179.838 177.584 0.058 0.000 1.185 443 A CA 3.110 55.177 52.037 0.050 0.000 0.639 443 A CB -0.889 18.130 19.000 0.031 0.000 0.820 443 A HN 0.300 nan 8.150 nan 0.000 0.451 444 K N -0.430 120.015 120.400 0.076 0.000 2.373 444 K HA 0.325 4.602 4.320 -0.072 0.000 0.202 444 K C 1.691 178.316 176.600 0.042 0.000 1.025 444 K CA 0.404 56.743 56.287 0.086 0.000 1.115 444 K CB -0.352 32.252 32.500 0.173 0.000 0.858 444 K HN 0.592 nan 8.250 nan 0.000 0.525 445 R N -0.571 119.948 120.500 0.032 0.000 2.075 445 R HA 0.108 4.405 4.340 -0.072 0.000 0.232 445 R C 2.346 178.621 176.300 -0.041 0.000 1.126 445 R CA 1.625 57.711 56.100 -0.023 0.000 0.963 445 R CB -0.188 30.109 30.300 -0.005 0.000 0.858 445 R HN 0.483 nan 8.270 nan 0.000 0.435 446 M N 0.533 120.125 119.600 -0.012 0.000 2.099 446 M HA -0.075 4.362 4.480 -0.072 0.000 0.262 446 M C -0.999 175.289 176.300 -0.021 0.000 1.067 446 M CA 1.693 56.981 55.300 -0.020 0.000 1.124 446 M CB -0.622 31.970 32.600 -0.013 0.000 1.353 446 M HN -0.065 nan 8.290 nan 0.000 0.410 447 P HA -0.157 nan 4.420 nan 0.000 0.214 447 P C 1.710 178.991 177.300 -0.032 0.000 1.163 447 P CA 1.287 64.376 63.100 -0.018 0.000 0.883 447 P CB -0.330 31.358 31.700 -0.020 0.000 0.788 448 c N -0.258 118.301 118.600 -0.068 0.000 2.386 448 c HA -0.196 4.331 4.570 -0.072 0.000 0.279 448 c C 2.824 176.897 174.090 -0.029 0.000 1.208 448 c CA 2.061 58.326 56.329 -0.106 0.000 1.747 448 c CB -1.646 40.705 42.510 -0.264 0.000 2.046 448 c HN 0.228 nan 8.230 nan 0.000 0.453 449 A N -0.468 122.326 122.820 -0.043 0.000 1.841 449 A HA -0.235 4.042 4.320 -0.072 0.000 0.216 449 A C 2.117 179.709 177.584 0.013 0.000 1.199 449 A CA 2.100 54.127 52.037 -0.016 0.000 0.621 449 A CB -1.092 17.878 19.000 -0.049 0.000 0.835 449 A HN 0.795 nan 8.150 nan 0.000 0.445 450 E N -0.214 119.984 120.200 -0.003 0.000 2.152 450 E HA -0.200 4.107 4.350 -0.072 0.000 0.192 450 E C 1.515 178.131 176.600 0.028 0.000 0.983 450 E CA 1.171 57.572 56.400 0.000 0.000 0.818 450 E CB -0.063 29.624 29.700 -0.022 0.000 0.758 450 E HN 0.773 nan 8.360 nan 0.000 0.467 451 D N -0.271 120.158 120.400 0.048 0.000 2.224 451 D HA -0.220 4.377 4.640 -0.072 0.000 0.205 451 D C 1.810 178.183 176.300 0.121 0.000 0.965 451 D CA 0.699 54.745 54.000 0.076 0.000 0.852 451 D CB -0.608 40.238 40.800 0.078 0.000 0.947 451 D HN 0.226 nan 8.370 nan 0.000 0.494 452 Y N 1.523 121.794 120.300 -0.048 0.000 2.200 452 Y HA 0.036 4.523 4.550 -0.105 0.000 0.290 452 Y C 2.243 178.102 175.900 -0.067 0.000 1.137 452 Y CA 0.613 58.677 58.100 -0.059 0.000 1.163 452 Y CB -0.682 37.734 38.460 -0.073 0.000 0.988 452 Y HN -0.065 nan 8.280 nan 0.000 0.518 453 L N -0.873 120.354 121.223 0.007 0.000 2.079 453 L HA -0.275 4.022 4.340 -0.072 0.000 0.210 453 L C 2.530 179.361 176.870 -0.065 0.000 1.081 453 L CA 1.527 56.304 54.840 -0.105 0.000 0.752 453 L CB -0.713 41.304 42.059 -0.070 0.000 0.896 453 L HN 0.067 nan 8.230 nan 0.000 0.433 454 S N -0.628 115.066 115.700 -0.010 0.000 2.359 454 S HA -0.167 4.260 4.470 -0.072 0.000 0.224 454 S C 2.022 176.600 174.600 -0.037 0.000 1.035 454 S CA 1.367 59.553 58.200 -0.024 0.000 1.018 454 S CB -0.236 62.953 63.200 -0.019 0.000 0.876 454 S HN 0.170 nan 8.310 nan 0.000 0.448 455 V N 1.488 121.407 119.914 0.007 0.000 2.237 455 V HA -0.150 3.927 4.120 -0.072 0.000 0.245 455 V C 2.338 178.419 176.094 -0.023 0.000 1.046 455 V CA 1.625 63.930 62.300 0.008 0.000 1.007 455 V CB -0.774 31.112 31.823 0.104 0.000 0.638 455 V HN 0.348 nan 8.190 nan 0.000 0.445 456 V N -0.172 119.715 119.914 -0.045 0.000 2.392 456 V HA -0.247 3.830 4.120 -0.072 0.000 0.249 456 V C 2.222 178.206 176.094 -0.183 0.000 1.059 456 V CA 1.827 64.044 62.300 -0.138 0.000 1.051 456 V CB -0.615 31.047 31.823 -0.269 0.000 0.658 456 V HN 0.458 nan 8.190 nan 0.000 0.455 457 L N 0.316 121.423 121.223 -0.193 0.000 2.376 457 L HA -0.074 4.223 4.340 -0.072 0.000 0.219 457 L C 2.275 179.067 176.870 -0.131 0.000 1.133 457 L CA 1.187 55.879 54.840 -0.246 0.000 0.816 457 L CB -0.636 41.276 42.059 -0.244 0.000 0.933 457 L HN 0.429 nan 8.230 nan 0.000 0.449 458 N N 0.069 118.719 118.700 -0.083 0.000 2.270 458 N HA -0.167 4.530 4.740 -0.072 0.000 0.181 458 N C 1.864 177.343 175.510 -0.052 0.000 1.016 458 N CA 1.029 54.051 53.050 -0.046 0.000 0.870 458 N CB 0.168 38.619 38.487 -0.060 0.000 0.979 458 N HN 0.309 nan 8.380 nan 0.000 0.431 459 Q N -0.249 119.510 119.800 -0.068 0.000 2.016 459 Q HA -0.126 4.171 4.340 -0.072 0.000 0.200 459 Q C 1.940 177.911 176.000 -0.048 0.000 0.978 459 Q CA 1.292 57.064 55.803 -0.053 0.000 0.833 459 Q CB -0.314 28.392 28.738 -0.054 0.000 0.895 459 Q HN 0.352 nan 8.270 nan 0.000 0.427 460 L N 0.805 121.973 121.223 -0.092 0.000 2.013 460 L HA -0.231 4.066 4.340 -0.072 0.000 0.212 460 L C 2.162 179.037 176.870 0.009 0.000 1.073 460 L CA 1.873 56.663 54.840 -0.083 0.000 0.753 460 L CB -0.798 41.133 42.059 -0.213 0.000 0.890 460 L HN 0.296 nan 8.230 nan 0.000 0.432 461 c N -1.352 117.258 118.600 0.017 0.000 2.453 461 c HA -0.113 4.414 4.570 -0.072 0.000 0.277 461 c C 2.834 176.977 174.090 0.089 0.000 1.262 461 c CA 0.982 57.367 56.329 0.092 0.000 1.718 461 c CB -1.116 41.456 42.510 0.103 0.000 2.031 461 c HN 0.650 nan 8.230 nan 0.000 0.480 462 V N -0.424 119.506 119.914 0.027 0.000 2.453 462 V HA -0.099 3.978 4.120 -0.072 0.000 0.247 462 V C 2.112 178.218 176.094 0.020 0.000 1.048 462 V CA 1.710 64.010 62.300 0.000 0.000 1.049 462 V CB -1.026 30.763 31.823 -0.057 0.000 0.672 462 V HN 0.562 nan 8.190 nan 0.000 0.457 463 L N 0.126 121.367 121.223 0.030 0.000 2.017 463 L HA -0.161 4.136 4.340 -0.072 0.000 0.208 463 L C 2.816 179.714 176.870 0.047 0.000 1.073 463 L CA 2.467 57.325 54.840 0.030 0.000 0.745 463 L CB -0.921 41.152 42.059 0.024 0.000 0.894 463 L HN 0.472 nan 8.230 nan 0.000 0.432 464 H N 0.219 119.287 119.070 -0.003 0.000 2.353 464 H HA -0.241 4.270 4.556 -0.076 0.000 0.300 464 H C 2.199 177.530 175.328 0.005 0.000 1.090 464 H CA 1.992 58.046 56.048 0.009 0.000 1.327 464 H CB 0.093 29.874 29.762 0.031 0.000 1.383 464 H HN 0.305 nan 8.280 nan 0.000 0.508 465 E N 0.369 120.573 120.200 0.006 0.000 2.267 465 E HA -0.234 4.073 4.350 -0.072 0.000 0.197 465 E C 2.110 178.650 176.600 -0.099 0.000 0.998 465 E CA 1.010 57.381 56.400 -0.048 0.000 0.830 465 E CB -0.065 29.637 29.700 0.002 0.000 0.751 465 E HN 0.502 nan 8.360 nan 0.000 0.491 466 K N -0.249 120.100 120.400 -0.086 0.000 2.097 466 K HA -0.065 4.212 4.320 -0.072 0.000 0.205 466 K C -0.196 176.344 176.600 -0.100 0.000 1.050 466 K CA 1.584 57.828 56.287 -0.071 0.000 0.938 466 K CB 0.278 32.754 32.500 -0.040 0.000 0.718 466 K HN 0.025 nan 8.250 nan 0.000 0.442 467 T N 2.527 116.983 114.554 -0.163 0.000 3.201 467 T HA 0.219 4.526 4.350 -0.072 0.000 0.338 467 T C -2.820 171.695 174.700 -0.310 0.000 1.095 467 T CA -1.367 60.634 62.100 -0.166 0.000 1.426 467 T CB 1.498 70.304 68.868 -0.102 0.000 0.956 467 T HN 0.080 nan 8.240 nan 0.000 0.551 468 P HA 0.189 nan 4.420 nan 0.000 0.267 468 P C 0.675 177.869 177.300 -0.178 0.000 1.205 468 P CA -0.150 62.664 63.100 -0.476 0.000 0.765 468 P CB 1.272 32.858 31.700 -0.190 0.000 0.828 469 V N -0.369 119.535 119.914 -0.018 0.000 3.400 469 V HA 0.283 4.360 4.120 -0.072 0.000 0.281 469 V C 0.395 176.599 176.094 0.184 0.000 1.617 469 V CA 0.084 62.442 62.300 0.097 0.000 1.044 469 V CB 0.184 32.052 31.823 0.076 0.000 0.858 469 V HN 0.548 nan 8.190 nan 0.000 0.425 470 S N 1.218 117.117 115.700 0.333 0.000 2.774 470 S HA 0.388 4.815 4.470 -0.072 0.000 0.297 470 S C 0.320 174.988 174.600 0.114 0.000 1.143 470 S CA -0.311 57.988 58.200 0.165 0.000 1.090 470 S CB 1.211 64.453 63.200 0.070 0.000 1.019 470 S HN 0.363 nan 8.310 nan 0.000 0.482 471 D N 3.864 124.305 120.400 0.069 0.000 2.218 471 D HA -0.071 4.526 4.640 -0.072 0.000 0.204 471 D C 1.649 177.936 176.300 -0.020 0.000 0.976 471 D CA 0.890 54.913 54.000 0.037 0.000 0.853 471 D CB 0.153 40.965 40.800 0.021 0.000 0.939 471 D HN 0.590 nan 8.370 nan 0.000 0.481 472 R N 0.349 120.820 120.500 -0.048 0.000 2.115 472 R HA -0.018 4.279 4.340 -0.072 0.000 0.226 472 R C 2.367 178.559 176.300 -0.180 0.000 1.100 472 R CA 0.347 56.381 56.100 -0.110 0.000 0.980 472 R CB -0.039 30.201 30.300 -0.100 0.000 0.875 472 R HN 0.058 nan 8.270 nan 0.000 0.445 473 V N 0.220 120.041 119.914 -0.155 0.000 2.346 473 V HA -0.191 3.886 4.120 -0.072 0.000 0.244 473 V C 2.059 178.079 176.094 -0.125 0.000 1.037 473 V CA 2.031 64.222 62.300 -0.180 0.000 1.029 473 V CB -0.384 31.093 31.823 -0.576 0.000 0.663 473 V HN 0.348 nan 8.190 nan 0.000 0.454 474 T N -0.179 114.344 114.554 -0.052 0.000 2.665 474 T HA -0.300 4.007 4.350 -0.072 0.000 0.268 474 T C 1.947 176.643 174.700 -0.006 0.000 1.035 474 T CA 2.136 64.264 62.100 0.048 0.000 1.151 474 T CB -0.233 68.693 68.868 0.097 0.000 0.862 474 T HN 0.420 nan 8.240 nan 0.000 0.438 475 K N 0.068 120.436 120.400 -0.054 0.000 2.026 475 K HA -0.094 4.183 4.320 -0.072 0.000 0.208 475 K C 2.432 178.962 176.600 -0.118 0.000 1.048 475 K CA 1.418 57.662 56.287 -0.073 0.000 0.929 475 K CB -0.417 32.029 32.500 -0.091 0.000 0.713 475 K HN 0.304 nan 8.250 nan 0.000 0.439 476 c N 0.190 118.640 118.600 -0.250 0.000 2.432 476 c HA -0.044 4.483 4.570 -0.072 0.000 0.282 476 c C 2.662 176.676 174.090 -0.126 0.000 1.388 476 c CA 0.271 56.374 56.329 -0.377 0.000 1.777 476 c CB -0.912 40.949 42.510 -1.082 0.000 1.882 476 c HN 0.663 nan 8.230 nan 0.000 0.520 477 c N 0.130 118.735 118.600 0.009 0.000 2.504 477 c HA -0.000 4.527 4.570 -0.072 0.000 0.279 477 c C 2.708 176.919 174.090 0.202 0.000 1.358 477 c CA 1.590 58.013 56.329 0.156 0.000 1.747 477 c CB -1.306 41.303 42.510 0.166 0.000 2.037 477 c HN 0.814 nan 8.230 nan 0.000 0.503 478 T N -2.099 112.534 114.554 0.130 0.000 3.014 478 T HA 0.028 4.335 4.350 -0.072 0.000 0.250 478 T C 1.445 176.260 174.700 0.191 0.000 1.060 478 T CA 0.632 62.820 62.100 0.147 0.000 1.040 478 T CB -0.216 68.672 68.868 0.033 0.000 0.971 478 T HN 0.562 nan 8.240 nan 0.000 0.497 479 E N 1.493 121.758 120.200 0.108 0.000 2.106 479 E HA -0.027 4.280 4.350 -0.072 0.000 0.192 479 E C 0.363 177.018 176.600 0.091 0.000 0.984 479 E CA 0.843 57.287 56.400 0.074 0.000 0.806 479 E CB 0.157 29.859 29.700 0.003 0.000 0.750 479 E HN 0.467 nan 8.360 nan 0.000 0.458 480 S N -1.085 114.655 115.700 0.067 0.000 2.590 480 S HA 0.099 4.526 4.470 -0.072 0.000 0.286 480 S C 0.037 174.516 174.600 -0.201 0.000 1.147 480 S CA -0.778 57.388 58.200 -0.056 0.000 0.963 480 S CB 1.058 64.221 63.200 -0.063 0.000 1.124 480 S HN 0.205 nan 8.310 nan 0.000 0.458 481 L N 6.473 127.333 121.223 -0.606 0.000 1.994 481 L HA 0.037 4.334 4.340 -0.072 0.000 0.208 481 L C 2.473 179.161 176.870 -0.303 0.000 1.071 481 L CA 2.941 57.365 54.840 -0.694 0.000 0.745 481 L CB -0.725 40.578 42.059 -1.260 0.000 0.892 481 L HN 0.983 nan 8.230 nan 0.000 0.431 482 V N -2.623 117.143 119.914 -0.246 0.000 2.809 482 V HA -0.102 3.975 4.120 -0.072 0.000 0.256 482 V C 1.480 177.518 176.094 -0.093 0.000 1.080 482 V CA 2.003 64.221 62.300 -0.137 0.000 1.102 482 V CB -1.214 30.541 31.823 -0.114 0.000 0.705 482 V HN 0.628 nan 8.190 nan 0.000 0.475 483 N N -0.261 118.385 118.700 -0.089 0.000 2.235 483 N HA 0.253 4.950 4.740 -0.072 0.000 0.209 483 N C 1.595 177.090 175.510 -0.025 0.000 1.122 483 N CA -0.226 52.789 53.050 -0.058 0.000 0.845 483 N CB 0.085 38.533 38.487 -0.064 0.000 1.004 483 N HN 0.429 nan 8.380 nan 0.000 0.499 484 R N 0.752 121.255 120.500 0.005 0.000 2.083 484 R HA -0.069 4.228 4.340 -0.072 0.000 0.237 484 R C 2.155 178.581 176.300 0.211 0.000 1.137 484 R CA 1.127 57.293 56.100 0.110 0.000 0.951 484 R CB -0.084 30.310 30.300 0.158 0.000 0.851 484 R HN 0.178 nan 8.270 nan 0.000 0.434 485 R N 0.681 121.262 120.500 0.135 0.000 2.073 485 R HA -0.077 4.220 4.340 -0.072 0.000 0.234 485 R C -0.883 175.482 176.300 0.108 0.000 1.134 485 R CA 1.535 57.718 56.100 0.139 0.000 0.952 485 R CB -1.235 29.097 30.300 0.053 0.000 0.850 485 R HN 0.189 nan 8.270 nan 0.000 0.433 486 P HA -0.029 nan 4.420 nan 0.000 0.223 486 P C 1.532 178.826 177.300 -0.011 0.000 1.151 486 P CA 0.559 63.662 63.100 0.004 0.000 0.787 486 P CB -0.218 31.465 31.700 -0.028 0.000 0.788 487 c N -1.668 116.914 118.600 -0.029 0.000 2.453 487 c HA -0.086 4.441 4.570 -0.072 0.000 0.277 487 c C 2.337 176.319 174.090 -0.179 0.000 1.262 487 c CA 0.634 56.882 56.329 -0.135 0.000 1.718 487 c CB -1.989 40.388 42.510 -0.222 0.000 2.031 487 c HN 0.063 nan 8.230 nan 0.000 0.480 488 F N 0.737 120.660 119.950 -0.045 0.000 2.186 488 F HA -0.036 4.452 4.527 -0.065 0.000 0.299 488 F C 2.921 178.649 175.800 -0.119 0.000 1.090 488 F CA 1.824 59.783 58.000 -0.067 0.000 1.307 488 F CB -0.763 38.250 39.000 0.023 0.000 1.019 488 F HN 0.160 nan 8.300 nan 0.000 0.489 489 S N -0.650 115.116 115.700 0.110 0.000 2.423 489 S HA -0.062 4.365 4.470 -0.072 0.000 0.231 489 S C 2.120 176.703 174.600 -0.029 0.000 1.014 489 S CA 0.881 59.097 58.200 0.027 0.000 0.965 489 S CB -0.349 62.874 63.200 0.039 0.000 0.785 489 S HN 0.293 nan 8.310 nan 0.000 0.495 490 A N 0.500 123.295 122.820 -0.042 0.000 2.123 490 A HA 0.353 4.630 4.320 -0.072 0.000 0.214 490 A C 0.729 178.266 177.584 -0.079 0.000 1.152 490 A CA 0.036 52.037 52.037 -0.059 0.000 0.728 490 A CB -0.176 18.786 19.000 -0.064 0.000 0.814 490 A HN 0.474 nan 8.150 nan 0.000 0.464 491 L N -0.115 121.048 121.223 -0.100 0.000 2.397 491 L HA 0.239 4.536 4.340 -0.072 0.000 0.271 491 L C 1.193 177.995 176.870 -0.114 0.000 1.148 491 L CA -0.300 54.472 54.840 -0.114 0.000 0.825 491 L CB 1.031 43.008 42.059 -0.137 0.000 1.117 491 L HN 0.378 nan 8.230 nan 0.000 0.456 492 E N 2.185 122.329 120.200 -0.094 0.000 2.694 492 E HA 0.206 4.513 4.350 -0.072 0.000 0.224 492 E C -0.779 175.772 176.600 -0.083 0.000 1.068 492 E CA 0.086 56.436 56.400 -0.083 0.000 1.043 492 E CB 0.726 30.392 29.700 -0.056 0.000 2.367 492 E HN 0.305 nan 8.360 nan 0.000 0.565 493 V N 0.286 120.166 119.914 -0.057 0.000 2.709 493 V HA 0.507 4.584 4.120 -0.072 0.000 0.308 493 V C -0.924 175.153 176.094 -0.027 0.000 1.062 493 V CA -0.990 61.283 62.300 -0.045 0.000 0.901 493 V CB 1.739 33.550 31.823 -0.019 0.000 1.003 493 V HN 0.318 nan 8.190 nan 0.000 0.425 494 D N 3.532 123.916 120.400 -0.027 0.000 2.349 494 D HA 0.107 4.704 4.640 -0.072 0.000 0.266 494 D C 1.038 177.375 176.300 0.061 0.000 1.293 494 D CA 0.486 54.491 54.000 0.008 0.000 0.926 494 D CB 1.226 42.029 40.800 0.005 0.000 1.090 494 D HN 0.806 nan 8.370 nan 0.000 0.502 495 E N 1.157 121.380 120.200 0.038 0.000 2.274 495 E HA -0.113 4.194 4.350 -0.072 0.000 0.194 495 E C 1.613 178.245 176.600 0.053 0.000 0.996 495 E CA 0.983 57.408 56.400 0.042 0.000 0.840 495 E CB 0.216 29.926 29.700 0.017 0.000 0.772 495 E HN 0.566 nan 8.360 nan 0.000 0.491 496 T N -1.945 112.646 114.554 0.062 0.000 3.107 496 T HA -0.060 4.247 4.350 -0.072 0.000 0.249 496 T C 0.407 175.156 174.700 0.081 0.000 1.096 496 T CA -0.409 61.723 62.100 0.052 0.000 1.012 496 T CB -0.291 68.600 68.868 0.038 0.000 0.977 496 T HN 0.075 nan 8.240 nan 0.000 0.527 497 Y N 2.460 122.755 120.300 -0.009 0.000 2.544 497 Y HA 0.424 4.933 4.550 -0.069 0.000 0.330 497 Y C -0.392 175.503 175.900 -0.008 0.000 1.136 497 Y CA -1.284 56.812 58.100 -0.008 0.000 1.417 497 Y CB 0.486 38.942 38.460 -0.007 0.000 1.229 497 Y HN -0.048 nan 8.280 nan 0.000 0.532 498 V N 10.097 129.620 119.914 -0.651 0.000 2.364 498 V HA 0.240 4.317 4.120 -0.072 0.000 0.272 498 V C -1.904 173.622 176.094 -0.946 0.000 1.036 498 V CA -1.928 60.021 62.300 -0.585 0.000 0.880 498 V CB 0.674 32.315 31.823 -0.304 0.000 0.991 498 V HN 0.777 nan 8.190 nan 0.000 0.460 499 P HA 0.033 nan 4.420 nan 0.000 0.264 499 P C -0.118 177.010 177.300 -0.287 0.000 1.179 499 P CA 0.249 63.117 63.100 -0.387 0.000 0.763 499 P CB 0.529 32.153 31.700 -0.127 0.000 0.806 500 K N 2.018 122.278 120.400 -0.233 0.000 2.107 500 K HA 0.200 4.477 4.320 -0.072 0.000 0.251 500 K C 0.171 176.666 176.600 -0.174 0.000 1.012 500 K CA -0.455 55.678 56.287 -0.256 0.000 0.920 500 K CB 0.525 32.776 32.500 -0.416 0.000 1.033 500 K HN 0.412 nan 8.250 nan 0.000 0.478 501 E N 1.864 122.034 120.200 -0.050 0.000 2.156 501 E HA 0.086 4.393 4.350 -0.072 0.000 0.279 501 E C -0.504 176.267 176.600 0.284 0.000 0.965 501 E CA -0.587 55.884 56.400 0.119 0.000 0.789 501 E CB 0.764 30.510 29.700 0.077 0.000 1.098 501 E HN 0.377 nan 8.360 nan 0.000 0.397 502 F N 3.301 123.397 119.950 0.244 0.000 2.647 502 F HA -0.119 4.366 4.527 -0.071 0.000 0.363 502 F C 0.064 175.939 175.800 0.124 0.000 1.130 502 F CA 0.712 58.795 58.000 0.139 0.000 1.351 502 F CB 0.423 39.339 39.000 -0.140 0.000 1.026 502 F HN 0.225 nan 8.300 nan 0.000 0.607 503 N N 4.669 122.955 118.700 -0.690 0.000 2.461 503 N HA 0.358 5.055 4.740 -0.072 0.000 0.284 503 N C 0.429 175.460 175.510 -0.799 0.000 1.049 503 N CA 0.199 52.997 53.050 -0.419 0.000 0.889 503 N CB 1.831 40.250 38.487 -0.113 0.000 1.365 503 N HN 0.779 nan 8.380 nan 0.000 0.499 504 A N 2.697 125.356 122.820 -0.268 0.000 1.896 504 A HA -0.320 3.957 4.320 -0.072 0.000 0.220 504 A C 2.088 179.661 177.584 -0.018 0.000 1.206 504 A CA 2.878 54.939 52.037 0.041 0.000 0.647 504 A CB -1.019 18.096 19.000 0.191 0.000 0.828 504 A HN 0.764 nan 8.150 nan 0.000 0.455 505 E N -1.191 118.994 120.200 -0.024 0.000 2.097 505 E HA -0.223 4.084 4.350 -0.072 0.000 0.196 505 E C 1.996 178.580 176.600 -0.027 0.000 1.000 505 E CA 2.212 58.608 56.400 -0.008 0.000 0.804 505 E CB -1.862 27.831 29.700 -0.010 0.000 0.740 505 E HN 0.694 nan 8.360 nan 0.000 0.454 506 T N -0.279 114.240 114.554 -0.058 0.000 2.803 506 T HA -0.041 4.266 4.350 -0.072 0.000 0.269 506 T C 0.735 175.290 174.700 -0.242 0.000 1.052 506 T CA 1.316 63.340 62.100 -0.127 0.000 1.136 506 T CB -0.277 68.537 68.868 -0.090 0.000 0.864 506 T HN 0.458 nan 8.240 nan 0.000 0.467 507 F N 1.073 120.908 119.950 -0.192 0.000 2.772 507 F HA 0.314 4.799 4.527 -0.070 0.000 0.302 507 F C 0.549 176.363 175.800 0.022 0.000 1.136 507 F CA -0.716 57.253 58.000 -0.052 0.000 1.322 507 F CB -0.190 38.837 39.000 0.044 0.000 0.967 507 F HN -0.189 nan 8.300 nan 0.000 0.513 508 T N 1.409 116.042 114.554 0.131 0.000 2.832 508 T HA 0.416 4.723 4.350 -0.072 0.000 0.313 508 T C -0.063 174.670 174.700 0.055 0.000 1.035 508 T CA -0.138 62.025 62.100 0.104 0.000 0.950 508 T CB -0.525 68.392 68.868 0.082 0.000 0.984 508 T HN 0.132 nan 8.240 nan 0.000 0.486 509 F N 1.089 121.075 119.950 0.059 0.000 2.424 509 F HA 0.656 5.140 4.527 -0.072 0.000 0.356 509 F C 0.725 176.544 175.800 0.031 0.000 1.110 509 F CA -1.486 56.535 58.000 0.035 0.000 1.161 509 F CB -1.039 37.983 39.000 0.038 0.000 1.115 509 F HN 1.028 nan 8.300 nan 0.000 0.507 510 H N 0.796 119.878 119.070 0.021 0.000 2.645 510 H HA 0.787 5.300 4.556 -0.072 0.000 0.308 510 H C 1.426 176.763 175.328 0.015 0.000 1.495 510 H CA 0.101 56.161 56.048 0.019 0.000 1.518 510 H CB 0.946 30.717 29.762 0.015 0.000 1.752 510 H HN 1.422 nan 8.280 nan 0.000 0.797 511 A N -1.044 121.784 122.820 0.014 0.000 2.178 511 A HA 0.224 4.501 4.320 -0.072 0.000 0.211 511 A C 2.069 179.659 177.584 0.009 0.000 1.157 511 A CA 1.481 53.525 52.037 0.011 0.000 0.780 511 A CB -1.259 17.748 19.000 0.011 0.000 0.828 511 A HN 1.046 nan 8.150 nan 0.000 0.476 512 D N 0.614 121.019 120.400 0.008 0.000 2.384 512 D HA -0.041 4.556 4.640 -0.072 0.000 0.222 512 D C 1.660 177.963 176.300 0.005 0.000 0.976 512 D CA 1.328 55.332 54.000 0.007 0.000 0.915 512 D CB -0.950 39.853 40.800 0.006 0.000 0.896 512 D HN 0.810 nan 8.370 nan 0.000 0.523 513 I N -2.409 118.164 120.570 0.005 0.000 2.286 513 I HA -0.136 3.991 4.170 -0.072 0.000 0.245 513 I C 2.453 178.571 176.117 0.002 0.000 1.104 513 I CA 1.020 62.322 61.300 0.003 0.000 1.397 513 I CB -0.639 37.364 38.000 0.004 0.000 1.072 513 I HN 0.281 nan 8.210 nan 0.000 0.417 514 c N 0.960 119.562 118.600 0.003 0.000 2.403 514 c HA -0.175 4.352 4.570 -0.072 0.000 0.277 514 c C 3.009 177.100 174.090 0.002 0.000 1.248 514 c CA 1.627 57.958 56.329 0.002 0.000 1.762 514 c CB -1.998 40.514 42.510 0.004 0.000 2.014 514 c HN 0.688 nan 8.230 nan 0.000 0.486 515 T N 0.574 115.130 114.554 0.004 0.000 2.904 515 T HA 0.085 4.392 4.350 -0.072 0.000 0.267 515 T C 0.850 175.553 174.700 0.004 0.000 1.059 515 T CA 1.251 63.353 62.100 0.005 0.000 1.137 515 T CB -0.653 68.219 68.868 0.006 0.000 0.879 515 T HN 0.551 nan 8.240 nan 0.000 0.467 516 L N 3.122 124.347 121.223 0.003 0.000 2.485 516 L HA 0.602 4.899 4.340 -0.072 0.000 0.275 516 L C 1.033 177.903 176.870 0.000 0.000 1.207 516 L CA -0.022 54.819 54.840 0.003 0.000 0.855 516 L CB -0.854 41.206 42.059 0.002 0.000 1.114 516 L HN 0.651 nan 8.230 nan 0.000 0.485 517 S N 0.758 116.459 115.700 0.002 0.000 2.563 517 S HA 0.010 4.437 4.470 -0.072 0.000 0.269 517 S C 1.078 175.673 174.600 -0.009 0.000 1.364 517 S CA 0.715 58.915 58.200 -0.001 0.000 1.010 517 S CB 0.270 63.473 63.200 0.004 0.000 0.877 517 S HN 1.025 nan 8.310 nan 0.000 0.549 518 E N 1.585 121.775 120.200 -0.016 0.000 2.118 518 E HA -0.140 4.167 4.350 -0.072 0.000 0.195 518 E C 2.293 178.869 176.600 -0.039 0.000 0.992 518 E CA 2.344 58.724 56.400 -0.034 0.000 0.804 518 E CB -0.761 28.914 29.700 -0.041 0.000 0.741 518 E HN 0.804 nan 8.360 nan 0.000 0.458 519 K N 0.185 120.573 120.400 -0.020 0.000 2.007 519 K HA -0.005 4.272 4.320 -0.072 0.000 0.206 519 K C 2.305 178.908 176.600 0.005 0.000 1.047 519 K CA 1.895 58.178 56.287 -0.007 0.000 0.937 519 K CB -1.752 30.755 32.500 0.012 0.000 0.718 519 K HN 0.402 nan 8.250 nan 0.000 0.438 520 E N 0.617 120.820 120.200 0.005 0.000 2.393 520 E HA -0.159 4.148 4.350 -0.072 0.000 0.201 520 E C 2.310 178.913 176.600 0.005 0.000 1.025 520 E CA 2.158 58.562 56.400 0.008 0.000 0.856 520 E CB -1.217 28.487 29.700 0.006 0.000 0.771 520 E HN 0.810 nan 8.360 nan 0.000 0.526 521 R N 0.091 120.589 120.500 -0.002 0.000 2.048 521 R HA 0.002 4.299 4.340 -0.072 0.000 0.224 521 R C 2.475 178.783 176.300 0.014 0.000 1.163 521 R CA 1.548 57.646 56.100 -0.004 0.000 0.956 521 R CB -1.044 29.243 30.300 -0.022 0.000 0.849 521 R HN 0.627 nan 8.270 nan 0.000 0.435 522 Q N 0.280 120.084 119.800 0.007 0.000 2.096 522 Q HA -0.141 4.156 4.340 -0.072 0.000 0.208 522 Q C 2.270 178.346 176.000 0.127 0.000 0.993 522 Q CA 2.045 57.903 55.803 0.093 0.000 0.862 522 Q CB -0.495 28.296 28.738 0.088 0.000 0.915 522 Q HN 0.630 nan 8.270 nan 0.000 0.416 523 I N 0.292 120.906 120.570 0.075 0.000 2.335 523 I HA -0.331 3.796 4.170 -0.072 0.000 0.251 523 I C 2.350 178.482 176.117 0.024 0.000 1.129 523 I CA 1.150 62.480 61.300 0.049 0.000 1.402 523 I CB -0.225 37.792 38.000 0.029 0.000 1.069 523 I HN 0.034 nan 8.210 nan 0.000 0.424 524 K N 0.653 121.064 120.400 0.019 0.000 2.044 524 K HA -0.076 4.201 4.320 -0.072 0.000 0.204 524 K C 2.605 179.203 176.600 -0.003 0.000 1.049 524 K CA 1.439 57.723 56.287 -0.005 0.000 0.945 524 K CB -0.873 31.624 32.500 -0.006 0.000 0.724 524 K HN 0.570 nan 8.250 nan 0.000 0.440 525 K N 1.318 121.738 120.400 0.034 0.000 2.147 525 K HA -0.149 4.128 4.320 -0.072 0.000 0.205 525 K C 2.162 178.786 176.600 0.039 0.000 1.049 525 K CA 1.922 58.240 56.287 0.051 0.000 0.936 525 K CB -0.744 31.822 32.500 0.110 0.000 0.722 525 K HN 0.572 nan 8.250 nan 0.000 0.446 526 Q N -0.409 119.420 119.800 0.048 0.000 2.119 526 Q HA -0.070 4.227 4.340 -0.072 0.000 0.201 526 Q C 2.352 178.338 176.000 -0.024 0.000 0.972 526 Q CA 1.741 57.549 55.803 0.008 0.000 0.847 526 Q CB -0.041 28.708 28.738 0.018 0.000 0.903 526 Q HN 0.619 nan 8.270 nan 0.000 0.433 527 T N 0.699 115.232 114.554 -0.034 0.000 2.867 527 T HA -0.105 4.202 4.350 -0.072 0.000 0.268 527 T C 1.801 176.432 174.700 -0.116 0.000 1.057 527 T CA 1.104 63.164 62.100 -0.067 0.000 1.136 527 T CB -0.110 68.715 68.868 -0.072 0.000 0.874 527 T HN 0.357 nan 8.240 nan 0.000 0.466 528 A N 1.033 123.778 122.820 -0.124 0.000 1.930 528 A HA 0.120 4.397 4.320 -0.072 0.000 0.215 528 A C 2.150 179.681 177.584 -0.088 0.000 1.176 528 A CA 0.748 52.663 52.037 -0.203 0.000 0.632 528 A CB -0.606 18.310 19.000 -0.139 0.000 0.819 528 A HN 0.386 nan 8.150 nan 0.000 0.445 529 L N 0.012 121.220 121.223 -0.025 0.000 2.046 529 L HA -0.095 4.202 4.340 -0.072 0.000 0.208 529 L C 2.376 179.262 176.870 0.026 0.000 1.077 529 L CA 1.717 56.566 54.840 0.014 0.000 0.747 529 L CB -0.598 41.456 42.059 -0.008 0.000 0.896 529 L HN 0.158 nan 8.230 nan 0.000 0.432 530 V N -0.272 119.641 119.914 -0.002 0.000 2.261 530 V HA -0.260 3.817 4.120 -0.072 0.000 0.246 530 V C 2.670 178.807 176.094 0.072 0.000 1.047 530 V CA 1.867 64.176 62.300 0.015 0.000 1.015 530 V CB -0.630 31.186 31.823 -0.012 0.000 0.642 530 V HN 0.436 nan 8.190 nan 0.000 0.446 531 E N 0.111 120.337 120.200 0.043 0.000 2.085 531 E HA -0.234 4.073 4.350 -0.072 0.000 0.194 531 E C 2.365 179.233 176.600 0.445 0.000 0.994 531 E CA 1.851 58.353 56.400 0.170 0.000 0.801 531 E CB -0.827 28.767 29.700 -0.177 0.000 0.743 531 E HN 0.581 nan 8.360 nan 0.000 0.453 532 L N 0.747 122.150 121.223 0.300 0.000 1.989 532 L HA -0.156 4.141 4.340 -0.072 0.000 0.211 532 L C 2.947 180.002 176.870 0.308 0.000 1.071 532 L CA 2.279 57.323 54.840 0.340 0.000 0.749 532 L CB -1.733 40.473 42.059 0.245 0.000 0.890 532 L HN 0.110 nan 8.230 nan 0.000 0.431 533 V N -0.521 119.516 119.914 0.205 0.000 2.469 533 V HA -0.310 3.767 4.120 -0.072 0.000 0.251 533 V C 2.700 178.910 176.094 0.193 0.000 1.064 533 V CA 2.111 64.504 62.300 0.154 0.000 1.066 533 V CB -1.053 30.815 31.823 0.076 0.000 0.667 533 V HN 0.738 nan 8.190 nan 0.000 0.461 534 K N -0.699 119.845 120.400 0.240 0.000 2.211 534 K HA -0.122 4.155 4.320 -0.072 0.000 0.203 534 K C 2.002 178.763 176.600 0.269 0.000 1.050 534 K CA 1.335 57.764 56.287 0.237 0.000 0.945 534 K CB -0.178 32.430 32.500 0.179 0.000 0.732 534 K HN 0.579 nan 8.250 nan 0.000 0.451 535 H N -0.724 118.480 119.070 0.224 0.000 2.497 535 H HA 0.043 4.555 4.556 -0.072 0.000 0.282 535 H C 0.387 175.798 175.328 0.137 0.000 1.003 535 H CA 0.660 56.816 56.048 0.180 0.000 1.307 535 H CB 0.645 30.516 29.762 0.182 0.000 1.437 535 H HN -0.215 nan 8.280 nan 0.000 0.544 536 K N 0.488 121.042 120.400 0.257 0.000 3.029 536 K HA 0.203 4.480 4.320 -0.072 0.000 0.169 536 K C -2.519 174.165 176.600 0.140 0.000 1.090 536 K CA -1.387 54.998 56.287 0.164 0.000 0.883 536 K CB 0.460 33.037 32.500 0.128 0.000 1.080 536 K HN 0.062 nan 8.250 nan 0.000 0.613 537 P HA -0.187 nan 4.420 nan 0.000 0.215 537 P C 1.031 178.382 177.300 0.083 0.000 1.163 537 P CA 1.252 64.434 63.100 0.137 0.000 0.894 537 P CB 0.236 32.066 31.700 0.217 0.000 0.791 538 K N -0.615 119.831 120.400 0.077 0.000 2.442 538 K HA 0.093 4.370 4.320 -0.072 0.000 0.198 538 K C 1.062 177.686 176.600 0.040 0.000 1.042 538 K CA 0.196 56.512 56.287 0.049 0.000 0.958 538 K CB -1.312 31.212 32.500 0.041 0.000 0.766 538 K HN 0.142 nan 8.250 nan 0.000 0.474 539 A N 1.306 124.156 122.820 0.050 0.000 2.521 539 A HA 0.152 4.429 4.320 -0.072 0.000 0.237 539 A C 0.603 178.205 177.584 0.030 0.000 1.087 539 A CA 0.487 52.549 52.037 0.042 0.000 0.777 539 A CB -0.114 18.919 19.000 0.055 0.000 1.035 539 A HN 0.389 nan 8.150 nan 0.000 0.510 540 T N -2.689 111.879 114.554 0.024 0.000 2.918 540 T HA 0.639 4.946 4.350 -0.072 0.000 0.286 540 T C 1.004 175.713 174.700 0.014 0.000 1.026 540 T CA -0.008 62.102 62.100 0.016 0.000 1.031 540 T CB 1.533 70.409 68.868 0.013 0.000 1.046 540 T HN 1.075 nan 8.240 nan 0.000 0.479 541 K N 0.676 121.081 120.400 0.008 0.000 2.360 541 K HA -0.090 4.187 4.320 -0.072 0.000 0.201 541 K C 1.778 178.383 176.600 0.007 0.000 1.046 541 K CA 1.585 57.874 56.287 0.004 0.000 0.940 541 K CB -1.003 31.496 32.500 -0.002 0.000 0.748 541 K HN 0.771 nan 8.250 nan 0.000 0.465 542 E N -0.206 120.000 120.200 0.010 0.000 2.016 542 E HA -0.127 4.180 4.350 -0.072 0.000 0.190 542 E C 2.830 179.438 176.600 0.014 0.000 0.985 542 E CA 1.764 58.171 56.400 0.011 0.000 0.802 542 E CB -0.893 28.813 29.700 0.010 0.000 0.762 542 E HN 0.745 nan 8.360 nan 0.000 0.448 543 Q N 1.515 121.324 119.800 0.016 0.000 2.050 543 Q HA -0.060 4.237 4.340 -0.072 0.000 0.202 543 Q C 2.663 178.677 176.000 0.024 0.000 0.980 543 Q CA 2.513 58.328 55.803 0.019 0.000 0.840 543 Q CB -1.817 26.933 28.738 0.020 0.000 0.898 543 Q HN 0.352 nan 8.270 nan 0.000 0.424 544 L N 1.325 122.563 121.223 0.025 0.000 1.978 544 L HA -0.243 4.054 4.340 -0.072 0.000 0.218 544 L C 2.676 179.560 176.870 0.024 0.000 1.075 544 L CA 3.302 58.159 54.840 0.028 0.000 0.767 544 L CB -1.720 40.351 42.059 0.019 0.000 0.890 544 L HN 0.614 nan 8.230 nan 0.000 0.434 545 K N 0.223 120.633 120.400 0.016 0.000 1.988 545 K HA -0.208 4.069 4.320 -0.072 0.000 0.221 545 K C 2.358 178.974 176.600 0.026 0.000 1.053 545 K CA 2.270 58.568 56.287 0.017 0.000 0.959 545 K CB -1.121 31.387 32.500 0.014 0.000 0.728 545 K HN 0.777 nan 8.250 nan 0.000 0.447 546 A N 0.448 123.281 122.820 0.023 0.000 2.117 546 A HA -0.175 4.102 4.320 -0.072 0.000 0.224 546 A C 2.400 180.001 177.584 0.028 0.000 1.167 546 A CA 2.308 54.359 52.037 0.023 0.000 0.664 546 A CB -0.545 18.466 19.000 0.018 0.000 0.811 546 A HN 0.234 nan 8.150 nan 0.000 0.470 547 V N -1.287 118.648 119.914 0.034 0.000 2.795 547 V HA -0.134 3.943 4.120 -0.072 0.000 0.243 547 V C 2.419 178.545 176.094 0.052 0.000 1.069 547 V CA 1.439 63.765 62.300 0.043 0.000 1.089 547 V CB -0.535 31.318 31.823 0.051 0.000 0.756 547 V HN 0.557 nan 8.190 nan 0.000 0.471 548 M N 1.245 120.875 119.600 0.051 0.000 2.065 548 M HA -0.217 4.220 4.480 -0.072 0.000 0.259 548 M C 2.184 178.522 176.300 0.063 0.000 1.071 548 M CA 2.464 57.800 55.300 0.059 0.000 1.109 548 M CB -0.928 31.703 32.600 0.052 0.000 1.313 548 M HN 0.516 nan 8.290 nan 0.000 0.408 549 D N 0.021 120.454 120.400 0.056 0.000 2.172 549 D HA -0.255 4.342 4.640 -0.072 0.000 0.196 549 D C 1.312 177.638 176.300 0.044 0.000 0.999 549 D CA 2.009 56.039 54.000 0.051 0.000 0.856 549 D CB -0.914 39.910 40.800 0.041 0.000 0.934 549 D HN 0.422 nan 8.370 nan 0.000 0.453 550 D N 0.087 120.512 120.400 0.042 0.000 2.087 550 D HA -0.188 4.409 4.640 -0.072 0.000 0.192 550 D C 2.355 178.682 176.300 0.044 0.000 0.993 550 D CA 2.550 56.574 54.000 0.039 0.000 0.828 550 D CB -0.684 40.139 40.800 0.039 0.000 0.968 550 D HN 0.335 nan 8.370 nan 0.000 0.448 551 F N 0.777 120.759 119.950 0.055 0.000 2.147 551 F HA -0.040 4.444 4.527 -0.072 0.000 0.301 551 F C 2.549 178.376 175.800 0.046 0.000 1.084 551 F CA 2.014 60.048 58.000 0.057 0.000 1.268 551 F CB -1.518 37.522 39.000 0.066 0.000 1.009 551 F HN 0.248 nan 8.300 nan 0.000 0.486 552 A N 0.231 123.078 122.820 0.046 0.000 1.883 552 A HA 0.066 4.343 4.320 -0.072 0.000 0.217 552 A C 2.691 180.290 177.584 0.025 0.000 1.186 552 A CA 2.566 54.624 52.037 0.034 0.000 0.624 552 A CB -1.537 17.485 19.000 0.036 0.000 0.822 552 A HN 1.509 nan 8.150 nan 0.000 0.444 553 A N -1.372 121.464 122.820 0.027 0.000 1.902 553 A HA 0.114 4.391 4.320 -0.072 0.000 0.217 553 A C 2.420 180.017 177.584 0.022 0.000 1.181 553 A CA 2.312 54.362 52.037 0.021 0.000 0.623 553 A CB -1.367 17.646 19.000 0.022 0.000 0.818 553 A HN 1.258 nan 8.150 nan 0.000 0.443 554 F N -0.461 119.506 119.950 0.028 0.000 2.161 554 F HA -0.061 4.423 4.527 -0.072 0.000 0.300 554 F C 2.596 178.410 175.800 0.024 0.000 1.089 554 F CA 2.162 60.179 58.000 0.029 0.000 1.282 554 F CB -1.323 37.701 39.000 0.039 0.000 1.010 554 F HN 0.138 nan 8.300 nan 0.000 0.485 555 V N 0.978 120.904 119.914 0.021 0.000 2.244 555 V HA -0.281 3.796 4.120 -0.072 0.000 0.244 555 V C 2.526 178.626 176.094 0.010 0.000 1.042 555 V CA 2.173 64.482 62.300 0.015 0.000 1.006 555 V CB -1.022 30.808 31.823 0.010 0.000 0.641 555 V HN 0.801 nan 8.190 nan 0.000 0.446 556 E N 0.490 120.695 120.200 0.008 0.000 2.085 556 E HA -0.295 4.012 4.350 -0.072 0.000 0.194 556 E C 2.014 178.618 176.600 0.007 0.000 0.994 556 E CA 1.401 57.804 56.400 0.005 0.000 0.801 556 E CB -0.293 29.410 29.700 0.004 0.000 0.743 556 E HN 0.415 nan 8.360 nan 0.000 0.453 557 K N 1.097 121.503 120.400 0.010 0.000 1.978 557 K HA -0.079 4.198 4.320 -0.072 0.000 0.221 557 K C 2.200 178.806 176.600 0.011 0.000 1.036 557 K CA 1.234 57.527 56.287 0.010 0.000 0.996 557 K CB -1.315 31.193 32.500 0.013 0.000 0.755 557 K HN 0.247 nan 8.250 nan 0.000 0.445 558 c N 0.659 119.267 118.600 0.013 0.000 2.347 558 c HA -0.315 4.212 4.570 -0.072 0.000 0.270 558 c C 2.823 176.920 174.090 0.011 0.000 1.145 558 c CA 1.503 57.841 56.329 0.014 0.000 1.802 558 c CB -1.099 41.422 42.510 0.018 0.000 2.084 558 c HN 0.658 nan 8.230 nan 0.000 0.446 559 c N 0.026 118.632 118.600 0.010 0.000 2.409 559 c HA 0.049 4.576 4.570 -0.072 0.000 0.284 559 c C 1.695 175.789 174.090 0.006 0.000 1.354 559 c CA 1.737 58.071 56.329 0.008 0.000 1.787 559 c CB -1.586 40.927 42.510 0.005 0.000 1.900 559 c HN 0.813 nan 8.230 nan 0.000 0.520 560 K N -0.815 119.588 120.400 0.006 0.000 2.842 560 K HA 0.705 4.982 4.320 -0.072 0.000 0.176 560 K C -0.464 176.139 176.600 0.006 0.000 1.080 560 K CA 0.569 56.859 56.287 0.005 0.000 0.954 560 K CB 0.527 33.029 32.500 0.004 0.000 1.203 560 K HN 0.433 nan 8.250 nan 0.000 0.611 561 A N 0.785 123.609 122.820 0.007 0.000 3.124 561 A HA 0.643 4.920 4.320 -0.072 0.000 0.295 561 A C 0.317 177.906 177.584 0.007 0.000 1.199 561 A CA 0.830 52.872 52.037 0.007 0.000 0.845 561 A CB -1.075 17.930 19.000 0.008 0.000 1.381 561 A HN 2.070 nan 8.150 nan 0.000 0.537 562 D N -0.234 120.170 120.400 0.006 0.000 4.959 562 D HA 0.258 4.855 4.640 -0.072 0.000 0.313 562 D C 0.290 176.594 176.300 0.007 0.000 2.491 562 D CA 1.318 55.322 54.000 0.006 0.000 1.123 562 D CB -1.102 39.701 40.800 0.006 0.000 1.160 562 D HN 2.156 nan 8.370 nan 0.000 1.324 563 D N 0.713 121.117 120.400 0.007 0.000 2.429 563 D HA 0.461 5.058 4.640 -0.072 0.000 0.253 563 D C 0.323 176.628 176.300 0.009 0.000 1.294 563 D CA 0.932 54.936 54.000 0.008 0.000 1.063 563 D CB -0.525 40.280 40.800 0.007 0.000 1.096 563 D HN 0.646 nan 8.370 nan 0.000 0.516 564 K N 0.976 121.382 120.400 0.009 0.000 2.616 564 K HA 0.539 4.816 4.320 -0.072 0.000 0.241 564 K C 0.679 177.286 176.600 0.012 0.000 0.961 564 K CA -0.208 56.085 56.287 0.011 0.000 0.942 564 K CB 1.827 34.334 32.500 0.011 0.000 1.153 564 K HN 0.367 nan 8.250 nan 0.000 0.452 565 E N 0.910 121.117 120.200 0.012 0.000 2.498 565 E HA -0.045 4.262 4.350 -0.072 0.000 0.203 565 E C 1.248 177.858 176.600 0.016 0.000 1.013 565 E CA 0.670 57.078 56.400 0.013 0.000 0.927 565 E CB 0.361 30.068 29.700 0.012 0.000 1.012 565 E HN 0.629 nan 8.360 nan 0.000 0.482 566 T N -2.811 111.752 114.554 0.015 0.000 3.037 566 T HA -0.061 4.246 4.350 -0.072 0.000 0.251 566 T C 2.251 176.963 174.700 0.019 0.000 1.079 566 T CA 0.978 63.088 62.100 0.017 0.000 1.067 566 T CB -1.083 67.794 68.868 0.015 0.000 0.948 566 T HN 0.739 nan 8.240 nan 0.000 0.496 567 c N 0.406 119.016 118.600 0.017 0.000 2.410 567 c HA 0.119 4.646 4.570 -0.072 0.000 0.281 567 c C 2.704 176.808 174.090 0.023 0.000 1.318 567 c CA 0.416 56.757 56.329 0.018 0.000 1.776 567 c CB -2.324 40.196 42.510 0.016 0.000 1.942 567 c HN 0.516 nan 8.230 nan 0.000 0.508 568 F N 1.099 121.064 119.950 0.024 0.000 2.202 568 F HA 0.307 4.791 4.527 -0.072 0.000 0.301 568 F C 2.637 178.459 175.800 0.037 0.000 1.082 568 F CA 1.906 59.924 58.000 0.030 0.000 1.313 568 F CB -1.256 37.760 39.000 0.027 0.000 1.024 568 F HN 0.622 nan 8.300 nan 0.000 0.495 569 A N -0.432 122.409 122.820 0.034 0.000 1.956 569 A HA 0.331 4.608 4.320 -0.072 0.000 0.212 569 A C 2.021 179.626 177.584 0.034 0.000 1.188 569 A CA 1.639 53.698 52.037 0.038 0.000 0.675 569 A CB -1.205 17.814 19.000 0.032 0.000 0.845 569 A HN 0.729 nan 8.150 nan 0.000 0.455 570 E N 0.282 120.498 120.200 0.027 0.000 2.016 570 E HA -0.171 4.136 4.350 -0.072 0.000 0.190 570 E C 1.792 178.406 176.600 0.023 0.000 0.985 570 E CA 1.584 57.997 56.400 0.022 0.000 0.802 570 E CB -0.809 28.902 29.700 0.017 0.000 0.762 570 E HN 0.692 nan 8.360 nan 0.000 0.448 571 E N 0.057 120.272 120.200 0.024 0.000 2.153 571 E HA -0.023 4.284 4.350 -0.072 0.000 0.194 571 E C 2.182 178.803 176.600 0.034 0.000 0.988 571 E CA 1.291 57.706 56.400 0.025 0.000 0.811 571 E CB -0.514 29.200 29.700 0.024 0.000 0.746 571 E HN 0.453 nan 8.360 nan 0.000 0.466 572 G N -0.429 108.396 108.800 0.043 0.000 2.448 572 G HA2 -0.250 3.667 3.960 -0.072 0.000 0.218 572 G HA3 -0.250 3.667 3.960 -0.072 0.000 0.218 572 G C 1.743 176.679 174.900 0.060 0.000 1.135 572 G CA 1.043 46.180 45.100 0.062 0.000 0.784 572 G HN 0.422 nan 8.290 nan 0.000 0.543 573 K N 0.455 120.880 120.400 0.042 0.000 2.025 573 K HA 0.101 4.378 4.320 -0.072 0.000 0.207 573 K C 2.597 179.202 176.600 0.009 0.000 1.049 573 K CA 2.125 58.428 56.287 0.026 0.000 0.933 573 K CB -1.211 31.300 32.500 0.018 0.000 0.714 573 K HN 0.565 nan 8.250 nan 0.000 0.438 574 K N 0.435 120.842 120.400 0.011 0.000 2.209 574 K HA 0.339 4.616 4.320 -0.072 0.000 0.204 574 K C 2.742 179.345 176.600 0.006 0.000 1.048 574 K CA 1.838 58.127 56.287 0.004 0.000 0.940 574 K CB -1.608 30.897 32.500 0.008 0.000 0.729 574 K HN 0.769 nan 8.250 nan 0.000 0.451 575 L N 0.157 121.394 121.223 0.024 0.000 1.961 575 L HA 0.022 4.318 4.340 -0.072 0.000 0.209 575 L C 2.827 179.711 176.870 0.024 0.000 1.075 575 L CA 2.278 57.141 54.840 0.038 0.000 0.749 575 L CB -1.481 40.620 42.059 0.069 0.000 0.890 575 L HN 0.302 nan 8.230 nan 0.000 0.433 576 V N 0.465 120.395 119.914 0.027 0.000 2.380 576 V HA -0.290 3.787 4.120 -0.072 0.000 0.251 576 V C 3.160 179.174 176.094 -0.134 0.000 1.063 576 V CA 1.963 64.235 62.300 -0.048 0.000 1.055 576 V CB -1.463 30.332 31.823 -0.047 0.000 0.657 576 V HN 0.850 nan 8.190 nan 0.000 0.455 577 A N 0.205 122.971 122.820 -0.091 0.000 1.865 577 A HA -0.173 4.104 4.320 -0.072 0.000 0.217 577 A C 2.401 179.936 177.584 -0.080 0.000 1.191 577 A CA 2.370 54.350 52.037 -0.095 0.000 0.623 577 A CB -0.885 18.080 19.000 -0.058 0.000 0.826 577 A HN 0.616 nan 8.150 nan 0.000 0.444 578 A N -1.077 121.714 122.820 -0.048 0.000 2.066 578 A HA 0.069 4.346 4.320 -0.072 0.000 0.218 578 A C 2.345 179.907 177.584 -0.038 0.000 1.157 578 A CA 1.738 53.755 52.037 -0.033 0.000 0.670 578 A CB -0.547 18.446 19.000 -0.012 0.000 0.804 578 A HN 0.446 nan 8.150 nan 0.000 0.453 579 S N -1.045 114.626 115.700 -0.049 0.000 2.371 579 S HA -0.031 4.396 4.470 -0.072 0.000 0.224 579 S C 2.504 177.043 174.600 -0.103 0.000 1.029 579 S CA 1.423 59.593 58.200 -0.050 0.000 0.978 579 S CB -0.395 62.786 63.200 -0.031 0.000 0.833 579 S HN 0.862 nan 8.310 nan 0.000 0.466 580 Q N 0.776 120.473 119.800 -0.171 0.000 2.364 580 Q HA 0.273 4.570 4.340 -0.072 0.000 0.207 580 Q C 2.162 178.092 176.000 -0.117 0.000 0.970 580 Q CA 1.388 57.071 55.803 -0.199 0.000 0.888 580 Q CB -1.025 27.544 28.738 -0.282 0.000 0.951 580 Q HN 0.655 nan 8.270 nan 0.000 0.469 581 A N 0.971 123.739 122.820 -0.086 0.000 1.832 581 A HA 0.512 4.789 4.320 -0.072 0.000 0.214 581 A C 2.036 179.598 177.584 -0.037 0.000 1.204 581 A CA 1.012 53.015 52.037 -0.056 0.000 0.606 581 A CB -1.068 17.906 19.000 -0.044 0.000 0.849 581 A HN 1.160 nan 8.150 nan 0.000 0.445 582 A N 0.000 122.804 122.820 -0.027 0.000 2.254 582 A HA 0.000 4.277 4.320 -0.072 0.000 0.244 582 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 582 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486