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 3lu7_1_A DATA FIRST_RESID 5 DATA SEQUENCE SEVAHRFKDL GEENFKALVL IAFAQYLQQC PFEDHVKLVN EVTEFAKTcV DATA SEQUENCE ADESAENcDK SLHTLFGDKL cTVATLRETY GEMADccAKQ EPERNEcFLQ DATA SEQUENCE HKDDNPNLPR LVRPEVDVMc TAFHDNEETF LKKYLYEIAR RHPYFYAPEL DATA SEQUENCE LFFAKRYKAA FTEccQAADK AAcLLPKLDE LRDEGKASSA KQRLKcASLQ DATA SEQUENCE KFGERAFKAW AVARLSQRFP KAEFAEVSKL VTDLTKVHTE ccHGDLLEcA DATA SEQUENCE DDRADLAKYI cENQDSISSK LKEccEKPLL EKSHcIAEVE NDEMPADLPS DATA SEQUENCE LAADFVESKD VcKNYAEAKD VFLGMFLYEY ARRHPDYSVV LLLRLAKTYE DATA SEQUENCE TTLEKccAAA DPHEcYAKVF DEFKPLVEEP QNLIKQNcEL FEQLGEYKFQ DATA SEQUENCE NALLVRYTKK VPQVSTPTLV EVSRNLGKVG SKccKHPEAK RMPcAEDYLS DATA SEQUENCE VVLNQLcVLH EKTPVSDRVT KccTESLVNR RPcFSALEVD ETYVPKEFNA DATA SEQUENCE ETFTFHADIc TLSEKERQIK KQTALVELVK HKPKATKEQL KAVMDDFAAF DATA SEQUENCE VEKccKADDK ETcFAEEGKK LVAASQAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.637 174.600 0.062 0.000 1.055 5 S CA 0.000 58.221 58.200 0.035 0.000 1.107 5 S CB 0.000 63.209 63.200 0.016 0.000 0.593 6 E N 3.150 123.393 120.200 0.071 0.000 2.079 6 E HA 0.133 4.409 4.350 -0.122 0.000 0.191 6 E C 1.849 178.543 176.600 0.156 0.000 0.961 6 E CA 1.430 57.883 56.400 0.089 0.000 0.823 6 E CB -0.297 29.422 29.700 0.032 0.000 0.789 6 E HN 0.503 nan 8.360 nan 0.000 0.459 7 V N 0.479 120.496 119.914 0.171 0.000 2.660 7 V HA -0.247 3.799 4.120 -0.122 0.000 0.257 7 V C 1.858 178.057 176.094 0.176 0.000 1.088 7 V CA 2.098 64.561 62.300 0.272 0.000 1.106 7 V CB -0.512 31.525 31.823 0.357 0.000 0.686 7 V HN 0.421 nan 8.190 nan 0.000 0.481 8 A N -1.176 121.697 122.820 0.089 0.000 1.861 8 A HA -0.158 4.089 4.320 -0.122 0.000 0.212 8 A C 2.237 179.889 177.584 0.113 0.000 1.199 8 A CA 1.259 53.314 52.037 0.030 0.000 0.613 8 A CB -1.082 17.909 19.000 -0.015 0.000 0.846 8 A HN 0.721 nan 8.150 nan 0.000 0.446 9 H N 0.080 119.181 119.070 0.052 0.000 2.357 9 H HA -0.144 4.338 4.556 -0.123 0.000 0.296 9 H C 1.883 177.263 175.328 0.087 0.000 1.108 9 H CA 1.926 58.007 56.048 0.055 0.000 1.273 9 H CB 0.078 29.863 29.762 0.038 0.000 1.367 9 H HN 0.232 nan 8.280 nan 0.000 0.498 10 R N -0.427 120.180 120.500 0.178 0.000 2.153 10 R HA -0.077 4.189 4.340 -0.122 0.000 0.218 10 R C 2.359 178.783 176.300 0.207 0.000 1.072 10 R CA 0.389 56.599 56.100 0.183 0.000 0.990 10 R CB -1.174 29.308 30.300 0.304 0.000 0.889 10 R HN 0.327 nan 8.270 nan 0.000 0.452 11 F N 2.372 122.306 119.950 -0.027 0.000 2.075 11 F HA -0.175 4.279 4.527 -0.122 0.000 0.297 11 F C 2.207 177.906 175.800 -0.168 0.000 1.113 11 F CA 1.652 59.481 58.000 -0.285 0.000 1.218 11 F CB 0.067 38.744 39.000 -0.538 0.000 0.984 11 F HN -0.114 nan 8.300 nan 0.000 0.472 12 K N -0.170 120.255 120.400 0.042 0.000 2.032 12 K HA -0.210 4.036 4.320 -0.122 0.000 0.209 12 K C 1.682 178.206 176.600 -0.127 0.000 1.048 12 K CA 1.900 58.161 56.287 -0.044 0.000 0.927 12 K CB -0.385 32.085 32.500 -0.051 0.000 0.712 12 K HN 0.252 nan 8.250 nan 0.000 0.441 13 D N 0.622 120.918 120.400 -0.174 0.000 2.123 13 D HA -0.068 4.498 4.640 -0.122 0.000 0.200 13 D C 1.901 178.137 176.300 -0.106 0.000 0.976 13 D CA 0.993 54.893 54.000 -0.167 0.000 0.831 13 D CB -0.022 40.630 40.800 -0.246 0.000 0.974 13 D HN 0.091 nan 8.370 nan 0.000 0.469 14 L N -0.580 120.592 121.223 -0.086 0.000 2.307 14 L HA 0.240 4.507 4.340 -0.122 0.000 0.211 14 L C 1.154 177.947 176.870 -0.128 0.000 1.099 14 L CA 0.372 55.173 54.840 -0.065 0.000 0.816 14 L CB -0.384 41.682 42.059 0.011 0.000 0.952 14 L HN 0.102 nan 8.230 nan 0.000 0.455 15 G N 0.365 109.014 108.800 -0.251 0.000 2.712 15 G HA2 -0.254 3.633 3.960 -0.122 0.000 0.686 15 G HA3 -0.254 3.633 3.960 -0.122 0.000 0.686 15 G C 0.278 174.862 174.900 -0.527 0.000 1.321 15 G CA 0.052 44.934 45.100 -0.362 0.000 0.813 15 G HN 0.251 nan 8.290 nan 0.000 0.599 16 E N -0.347 119.463 120.200 -0.651 0.000 2.110 16 E HA -0.163 4.114 4.350 -0.122 0.000 0.193 16 E C 1.998 178.514 176.600 -0.140 0.000 0.988 16 E CA 1.636 57.693 56.400 -0.573 0.000 0.804 16 E CB -0.040 29.532 29.700 -0.214 0.000 0.745 16 E HN 0.653 nan 8.360 nan 0.000 0.458 17 E N -0.102 120.038 120.200 -0.100 0.000 2.015 17 E HA -0.193 4.083 4.350 -0.122 0.000 0.191 17 E C 1.919 178.512 176.600 -0.011 0.000 0.991 17 E CA 1.264 57.648 56.400 -0.026 0.000 0.802 17 E CB 0.062 29.748 29.700 -0.024 0.000 0.759 17 E HN 0.238 nan 8.360 nan 0.000 0.447 18 N N 0.440 119.122 118.700 -0.029 0.000 2.080 18 N HA -0.165 4.501 4.740 -0.122 0.000 0.189 18 N C 1.662 177.159 175.510 -0.021 0.000 1.036 18 N CA 0.936 53.970 53.050 -0.027 0.000 0.846 18 N CB -0.886 37.580 38.487 -0.035 0.000 1.015 18 N HN 0.142 nan 8.380 nan 0.000 0.423 19 F N 2.285 122.143 119.950 -0.153 0.000 2.050 19 F HA -0.360 4.096 4.527 -0.119 0.000 0.294 19 F C 2.170 177.925 175.800 -0.075 0.000 1.113 19 F CA 2.001 59.933 58.000 -0.114 0.000 1.225 19 F CB -0.236 38.640 39.000 -0.206 0.000 0.953 19 F HN -0.029 nan 8.300 nan 0.000 0.501 20 K N -0.280 120.211 120.400 0.153 0.000 2.089 20 K HA -0.244 4.002 4.320 -0.122 0.000 0.210 20 K C 2.218 178.743 176.600 -0.126 0.000 1.048 20 K CA 1.456 57.769 56.287 0.042 0.000 0.926 20 K CB -0.591 31.969 32.500 0.099 0.000 0.714 20 K HN 0.469 nan 8.250 nan 0.000 0.448 21 A N 0.874 123.634 122.820 -0.100 0.000 1.897 21 A HA -0.069 4.178 4.320 -0.122 0.000 0.215 21 A C 2.084 179.558 177.584 -0.184 0.000 1.181 21 A CA 0.917 52.891 52.037 -0.105 0.000 0.620 21 A CB -0.421 18.549 19.000 -0.050 0.000 0.821 21 A HN 0.138 nan 8.150 nan 0.000 0.443 22 L N -0.364 120.725 121.223 -0.223 0.000 1.994 22 L HA -0.181 4.086 4.340 -0.122 0.000 0.208 22 L C 2.534 179.176 176.870 -0.381 0.000 1.071 22 L CA 1.356 56.042 54.840 -0.256 0.000 0.745 22 L CB -0.707 41.213 42.059 -0.232 0.000 0.892 22 L HN 0.233 nan 8.230 nan 0.000 0.431 23 V N -0.065 119.514 119.914 -0.559 0.000 2.317 23 V HA -0.332 3.715 4.120 -0.122 0.000 0.251 23 V C 2.433 178.013 176.094 -0.857 0.000 1.065 23 V CA 1.894 63.669 62.300 -0.874 0.000 1.049 23 V CB -0.616 30.572 31.823 -1.057 0.000 0.651 23 V HN 0.339 nan 8.190 nan 0.000 0.450 24 L N -0.065 120.858 121.223 -0.499 0.000 2.012 24 L HA -0.152 4.115 4.340 -0.122 0.000 0.210 24 L C 2.156 178.860 176.870 -0.276 0.000 1.073 24 L CA 1.961 56.614 54.840 -0.312 0.000 0.748 24 L CB -0.500 41.481 42.059 -0.130 0.000 0.891 24 L HN 0.251 nan 8.230 nan 0.000 0.431 25 I N -0.748 119.666 120.570 -0.259 0.000 2.394 25 I HA -0.225 3.871 4.170 -0.122 0.000 0.251 25 I C 2.536 178.495 176.117 -0.264 0.000 1.136 25 I CA 0.964 62.135 61.300 -0.215 0.000 1.425 25 I CB -0.634 37.260 38.000 -0.176 0.000 1.079 25 I HN 0.326 nan 8.210 nan 0.000 0.425 26 A N 1.080 123.686 122.820 -0.357 0.000 1.858 26 A HA -0.180 4.067 4.320 -0.122 0.000 0.216 26 A C 2.074 179.475 177.584 -0.306 0.000 1.190 26 A CA 1.506 53.307 52.037 -0.393 0.000 0.617 26 A CB -0.847 17.937 19.000 -0.359 0.000 0.827 26 A HN 0.311 nan 8.150 nan 0.000 0.443 27 F N 0.128 119.837 119.950 -0.403 0.000 2.216 27 F HA -0.039 4.414 4.527 -0.124 0.000 0.300 27 F C 2.769 178.240 175.800 -0.548 0.000 1.085 27 F CA 0.302 58.047 58.000 -0.425 0.000 1.326 27 F CB -1.187 37.562 39.000 -0.418 0.000 1.027 27 F HN 0.291 nan 8.300 nan 0.000 0.497 28 A N -0.594 122.021 122.820 -0.342 0.000 1.970 28 A HA -0.130 4.116 4.320 -0.122 0.000 0.216 28 A C 2.087 179.615 177.584 -0.094 0.000 1.170 28 A CA 0.883 52.764 52.037 -0.261 0.000 0.645 28 A CB -0.588 18.339 19.000 -0.122 0.000 0.816 28 A HN 0.409 nan 8.150 nan 0.000 0.447 29 Q N -1.862 117.872 119.800 -0.110 0.000 2.378 29 Q HA -0.034 4.232 4.340 -0.122 0.000 0.205 29 Q C 1.212 177.280 176.000 0.113 0.000 0.954 29 Q CA 0.792 56.565 55.803 -0.050 0.000 0.901 29 Q CB -0.021 28.643 28.738 -0.125 0.000 0.981 29 Q HN 0.765 nan 8.270 nan 0.000 0.483 30 Y N -0.632 119.610 120.300 -0.098 0.000 2.476 30 Y HA 0.239 4.713 4.550 -0.126 0.000 0.283 30 Y C 0.648 176.516 175.900 -0.053 0.000 1.109 30 Y CA 0.167 58.195 58.100 -0.120 0.000 1.246 30 Y CB 0.696 38.952 38.460 -0.340 0.000 1.068 30 Y HN -0.048 nan 8.280 nan 0.000 0.552 31 L N 0.823 122.125 121.223 0.132 0.000 2.490 31 L HA 0.228 4.495 4.340 -0.122 0.000 0.256 31 L C 0.651 177.664 176.870 0.238 0.000 1.089 31 L CA -0.001 54.911 54.840 0.121 0.000 0.916 31 L CB 1.358 43.463 42.059 0.076 0.000 1.188 31 L HN -0.004 nan 8.230 nan 0.000 0.476 32 Q N 0.146 120.049 119.800 0.173 0.000 2.096 32 Q HA -0.087 4.180 4.340 -0.122 0.000 0.197 32 Q C 1.351 177.470 176.000 0.199 0.000 0.964 32 Q CA 0.990 56.882 55.803 0.149 0.000 0.838 32 Q CB 0.288 29.073 28.738 0.079 0.000 0.906 32 Q HN 0.582 nan 8.270 nan 0.000 0.444 33 Q N 0.063 120.006 119.800 0.238 0.000 2.369 33 Q HA -0.046 4.221 4.340 -0.122 0.000 0.206 33 Q C 0.836 177.047 176.000 0.353 0.000 0.963 33 Q CA 0.270 56.235 55.803 0.270 0.000 0.894 33 Q CB -0.516 28.399 28.738 0.296 0.000 0.965 33 Q HN 0.306 nan 8.270 nan 0.000 0.475 34 C N 3.393 122.953 119.300 0.434 0.000 2.648 34 C HA 0.223 4.610 4.460 -0.122 0.000 0.419 34 C C -2.008 173.115 174.990 0.222 0.000 1.352 34 C CA -1.571 57.641 59.018 0.323 0.000 1.816 34 C CB -0.051 27.729 27.740 0.066 0.000 2.598 34 C HN 0.170 nan 8.230 nan 0.000 0.598 35 P HA 0.080 nan 4.420 nan 0.000 0.270 35 P C 0.475 177.710 177.300 -0.108 0.000 1.223 35 P CA -0.098 63.064 63.100 0.104 0.000 0.785 35 P CB 0.218 31.939 31.700 0.034 0.000 0.923 36 F N 2.276 121.966 119.950 -0.434 0.000 2.134 36 F HA -0.210 4.243 4.527 -0.124 0.000 0.299 36 F C 1.764 177.332 175.800 -0.387 0.000 1.097 36 F CA 1.780 59.254 58.000 -0.877 0.000 1.264 36 F CB -0.365 38.165 39.000 -0.784 0.000 1.001 36 F HN 0.228 nan 8.300 nan 0.000 0.479 37 E N 0.262 120.256 120.200 -0.344 0.000 2.153 37 E HA -0.186 4.090 4.350 -0.122 0.000 0.194 37 E C 1.730 178.137 176.600 -0.322 0.000 0.988 37 E CA 1.485 57.673 56.400 -0.352 0.000 0.811 37 E CB -0.823 28.800 29.700 -0.128 0.000 0.746 37 E HN 0.472 nan 8.360 nan 0.000 0.466 38 D N 0.450 120.683 120.400 -0.279 0.000 2.103 38 D HA -0.109 4.458 4.640 -0.122 0.000 0.199 38 D C 1.917 178.078 176.300 -0.231 0.000 0.978 38 D CA 0.961 54.813 54.000 -0.246 0.000 0.829 38 D CB -0.374 40.268 40.800 -0.263 0.000 0.981 38 D HN 0.246 nan 8.370 nan 0.000 0.464 39 H N 0.002 118.961 119.070 -0.186 0.000 2.422 39 H HA -0.031 4.453 4.556 -0.120 0.000 0.298 39 H C 2.208 177.448 175.328 -0.148 0.000 1.098 39 H CA 0.611 56.596 56.048 -0.105 0.000 1.315 39 H CB -0.381 29.355 29.762 -0.044 0.000 1.382 39 H HN 0.045 nan 8.280 nan 0.000 0.523 40 V N 0.821 120.582 119.914 -0.255 0.000 2.379 40 V HA -0.184 3.862 4.120 -0.122 0.000 0.245 40 V C 2.582 178.586 176.094 -0.149 0.000 1.044 40 V CA 1.559 63.682 62.300 -0.294 0.000 1.036 40 V CB -0.339 31.132 31.823 -0.586 0.000 0.664 40 V HN 0.285 nan 8.190 nan 0.000 0.453 41 K N 0.076 120.388 120.400 -0.148 0.000 2.009 41 K HA -0.183 4.063 4.320 -0.122 0.000 0.210 41 K C 2.145 178.728 176.600 -0.028 0.000 1.049 41 K CA 1.697 57.934 56.287 -0.083 0.000 0.929 41 K CB -0.237 32.208 32.500 -0.092 0.000 0.714 41 K HN 0.358 nan 8.250 nan 0.000 0.440 42 L N 0.399 121.620 121.223 -0.005 0.000 1.970 42 L HA -0.218 4.048 4.340 -0.122 0.000 0.212 42 L C 2.453 179.423 176.870 0.168 0.000 1.071 42 L CA 1.231 56.104 54.840 0.055 0.000 0.751 42 L CB -0.676 41.391 42.059 0.013 0.000 0.889 42 L HN 0.073 nan 8.230 nan 0.000 0.432 43 V N 0.459 120.489 119.914 0.193 0.000 2.278 43 V HA -0.338 3.709 4.120 -0.122 0.000 0.251 43 V C 2.315 178.442 176.094 0.056 0.000 1.062 43 V CA 2.110 64.438 62.300 0.047 0.000 1.038 43 V CB -0.797 30.978 31.823 -0.081 0.000 0.646 43 V HN 0.506 nan 8.190 nan 0.000 0.447 44 N N 0.059 118.787 118.700 0.047 0.000 2.104 44 N HA -0.185 4.482 4.740 -0.122 0.000 0.190 44 N C 1.818 177.376 175.510 0.081 0.000 1.024 44 N CA 1.647 54.732 53.050 0.058 0.000 0.853 44 N CB -0.339 38.161 38.487 0.023 0.000 1.008 44 N HN 0.634 nan 8.380 nan 0.000 0.424 45 E N 0.256 120.498 120.200 0.071 0.000 2.077 45 E HA -0.095 4.182 4.350 -0.122 0.000 0.193 45 E C 1.960 178.643 176.600 0.139 0.000 0.989 45 E CA 0.859 57.306 56.400 0.079 0.000 0.800 45 E CB -0.014 29.710 29.700 0.040 0.000 0.746 45 E HN 0.077 nan 8.360 nan 0.000 0.452 46 V N 1.334 121.341 119.914 0.155 0.000 2.407 46 V HA -0.252 3.795 4.120 -0.122 0.000 0.248 46 V C 2.252 178.546 176.094 0.333 0.000 1.055 46 V CA 2.165 64.612 62.300 0.245 0.000 1.049 46 V CB -0.709 31.187 31.823 0.122 0.000 0.662 46 V HN 0.354 nan 8.190 nan 0.000 0.455 47 T N -0.770 113.949 114.554 0.275 0.000 2.770 47 T HA -0.194 4.082 4.350 -0.122 0.000 0.263 47 T C 1.833 176.557 174.700 0.040 0.000 1.039 47 T CA 1.501 63.755 62.100 0.258 0.000 1.142 47 T CB -0.199 68.839 68.868 0.283 0.000 0.868 47 T HN 0.593 nan 8.240 nan 0.000 0.435 48 E N 0.278 120.521 120.200 0.072 0.000 2.065 48 E HA -0.218 4.058 4.350 -0.122 0.000 0.201 48 E C 1.891 178.498 176.600 0.011 0.000 1.016 48 E CA 1.401 57.817 56.400 0.027 0.000 0.818 48 E CB -0.270 29.468 29.700 0.063 0.000 0.749 48 E HN 0.469 nan 8.360 nan 0.000 0.453 49 F N 0.799 120.722 119.950 -0.045 0.000 2.134 49 F HA -0.136 4.317 4.527 -0.123 0.000 0.299 49 F C 2.039 177.765 175.800 -0.123 0.000 1.097 49 F CA 1.601 59.573 58.000 -0.046 0.000 1.264 49 F CB -0.608 38.407 39.000 0.025 0.000 1.001 49 F HN 0.099 nan 8.300 nan 0.000 0.479 50 A N 0.458 123.139 122.820 -0.232 0.000 1.877 50 A HA -0.227 4.019 4.320 -0.122 0.000 0.216 50 A C 2.271 179.370 177.584 -0.809 0.000 1.186 50 A CA 1.935 53.651 52.037 -0.534 0.000 0.620 50 A CB -0.765 17.844 19.000 -0.652 0.000 0.822 50 A HN 0.459 nan 8.150 nan 0.000 0.443 51 K N -0.539 119.350 120.400 -0.851 0.000 2.113 51 K HA -0.177 4.070 4.320 -0.122 0.000 0.208 51 K C 2.280 178.616 176.600 -0.439 0.000 1.047 51 K CA 1.953 57.824 56.287 -0.693 0.000 0.928 51 K CB -0.545 31.680 32.500 -0.457 0.000 0.716 51 K HN 0.793 nan 8.250 nan 0.000 0.446 52 T N -0.799 113.513 114.554 -0.404 0.000 2.746 52 T HA -0.178 4.098 4.350 -0.122 0.000 0.267 52 T C 2.307 176.801 174.700 -0.343 0.000 1.039 52 T CA 1.467 63.374 62.100 -0.321 0.000 1.142 52 T CB -0.883 67.806 68.868 -0.298 0.000 0.866 52 T HN 0.230 nan 8.240 nan 0.000 0.444 53 c N 1.094 119.404 118.600 -0.483 0.000 2.419 53 c HA 0.096 4.592 4.570 -0.122 0.000 0.281 53 c C 2.948 176.891 174.090 -0.244 0.000 1.336 53 c CA 0.112 56.223 56.329 -0.364 0.000 1.770 53 c CB -1.361 40.905 42.510 -0.408 0.000 1.929 53 c HN 0.472 nan 8.230 nan 0.000 0.509 54 V N 1.315 121.060 119.914 -0.282 0.000 2.323 54 V HA -0.151 3.896 4.120 -0.122 0.000 0.244 54 V C 2.748 178.761 176.094 -0.135 0.000 1.041 54 V CA 2.095 64.282 62.300 -0.189 0.000 1.025 54 V CB -1.245 30.450 31.823 -0.215 0.000 0.656 54 V HN 0.559 nan 8.190 nan 0.000 0.451 55 A N -0.587 122.141 122.820 -0.154 0.000 1.865 55 A HA -0.199 4.048 4.320 -0.122 0.000 0.217 55 A C 1.325 178.854 177.584 -0.091 0.000 1.191 55 A CA 2.121 54.093 52.037 -0.108 0.000 0.623 55 A CB -0.217 18.716 19.000 -0.111 0.000 0.826 55 A HN 0.537 nan 8.150 nan 0.000 0.444 56 D N -1.663 118.671 120.400 -0.110 0.000 2.476 56 D HA 0.304 4.870 4.640 -0.122 0.000 0.251 56 D C 0.186 176.431 176.300 -0.092 0.000 1.291 56 D CA -0.361 53.589 54.000 -0.084 0.000 0.939 56 D CB 0.904 41.662 40.800 -0.070 0.000 1.221 56 D HN 0.341 nan 8.370 nan 0.000 0.567 57 E N 0.777 120.937 120.200 -0.066 0.000 2.418 57 E HA -0.016 4.261 4.350 -0.122 0.000 0.197 57 E C 0.819 177.399 176.600 -0.034 0.000 1.026 57 E CA 0.397 56.764 56.400 -0.054 0.000 0.862 57 E CB 0.366 30.048 29.700 -0.029 0.000 0.799 57 E HN 0.196 nan 8.360 nan 0.000 0.518 58 S N 0.695 116.378 115.700 -0.028 0.000 2.575 58 S HA 0.198 4.595 4.470 -0.122 0.000 0.215 58 S C 0.694 175.289 174.600 -0.008 0.000 0.966 58 S CA -0.193 58.000 58.200 -0.011 0.000 0.911 58 S CB 0.307 63.502 63.200 -0.008 0.000 0.780 58 S HN 0.275 nan 8.310 nan 0.000 0.514 59 A N 1.955 124.758 122.820 -0.027 0.000 2.455 59 A HA 0.134 4.380 4.320 -0.122 0.000 0.244 59 A C 0.444 178.046 177.584 0.030 0.000 1.099 59 A CA -0.180 51.846 52.037 -0.018 0.000 0.786 59 A CB 0.052 19.010 19.000 -0.070 0.000 1.051 59 A HN 0.440 nan 8.150 nan 0.000 0.508 60 E N 0.462 120.699 120.200 0.062 0.000 2.366 60 E HA 0.093 4.370 4.350 -0.122 0.000 0.266 60 E C 0.008 176.726 176.600 0.196 0.000 1.015 60 E CA 0.327 56.788 56.400 0.100 0.000 0.906 60 E CB 0.038 29.790 29.700 0.086 0.000 0.979 60 E HN 0.670 nan 8.360 nan 0.000 0.443 61 N N 2.048 120.858 118.700 0.183 0.000 2.926 61 N HA -0.211 4.456 4.740 -0.122 0.000 0.192 61 N C 0.897 176.611 175.510 0.339 0.000 1.055 61 N CA 1.256 54.461 53.050 0.257 0.000 1.022 61 N CB -1.864 36.798 38.487 0.292 0.000 0.974 61 N HN 0.523 nan 8.380 nan 0.000 0.569 62 c N 2.054 120.810 118.600 0.261 0.000 2.409 62 c HA -0.116 4.380 4.570 -0.122 0.000 0.284 62 c C 2.018 176.183 174.090 0.125 0.000 1.354 62 c CA 1.285 57.705 56.329 0.152 0.000 1.787 62 c CB -1.026 41.472 42.510 -0.021 0.000 1.900 62 c HN 0.567 nan 8.230 nan 0.000 0.520 63 D N 0.316 120.778 120.400 0.102 0.000 2.340 63 D HA -0.018 4.549 4.640 -0.122 0.000 0.220 63 D C 0.477 176.822 176.300 0.075 0.000 1.039 63 D CA 0.242 54.284 54.000 0.071 0.000 0.866 63 D CB -0.341 40.488 40.800 0.049 0.000 0.913 63 D HN 0.407 nan 8.370 nan 0.000 0.523 64 K N 1.131 121.594 120.400 0.106 0.000 2.295 64 K HA 0.154 4.400 4.320 -0.122 0.000 0.270 64 K C 0.770 177.415 176.600 0.075 0.000 1.011 64 K CA -0.239 56.100 56.287 0.088 0.000 0.953 64 K CB 0.899 33.456 32.500 0.095 0.000 0.956 64 K HN 0.137 nan 8.250 nan 0.000 0.477 65 S N 2.074 117.802 115.700 0.046 0.000 2.584 65 S HA 0.031 4.427 4.470 -0.122 0.000 0.270 65 S C 1.413 175.990 174.600 -0.038 0.000 1.346 65 S CA -0.483 57.719 58.200 0.003 0.000 1.018 65 S CB 0.382 63.591 63.200 0.014 0.000 0.899 65 S HN 0.552 nan 8.310 nan 0.000 0.542 66 L N 0.803 121.912 121.223 -0.189 0.000 2.046 66 L HA -0.115 4.152 4.340 -0.122 0.000 0.208 66 L C 2.746 179.345 176.870 -0.452 0.000 1.077 66 L CA 1.397 55.945 54.840 -0.486 0.000 0.747 66 L CB -0.879 40.707 42.059 -0.789 0.000 0.896 66 L HN 0.760 nan 8.230 nan 0.000 0.432 67 H N -0.122 118.833 119.070 -0.191 0.000 2.321 67 H HA -0.134 4.348 4.556 -0.124 0.000 0.300 67 H C 2.401 177.773 175.328 0.074 0.000 1.087 67 H CA 1.906 57.942 56.048 -0.020 0.000 1.319 67 H CB -0.645 29.137 29.762 0.034 0.000 1.379 67 H HN 0.276 nan 8.280 nan 0.000 0.501 68 T N 1.785 116.446 114.554 0.177 0.000 2.620 68 T HA -0.184 4.092 4.350 -0.122 0.000 0.267 68 T C 2.473 177.260 174.700 0.145 0.000 1.044 68 T CA 1.708 63.889 62.100 0.134 0.000 1.161 68 T CB -0.543 68.379 68.868 0.090 0.000 0.862 68 T HN 0.180 nan 8.240 nan 0.000 0.438 69 L N -0.701 120.623 121.223 0.169 0.000 2.044 69 L HA 0.014 4.281 4.340 -0.122 0.000 0.205 69 L C 2.482 179.582 176.870 0.384 0.000 1.075 69 L CA 1.092 56.061 54.840 0.214 0.000 0.747 69 L CB -0.576 41.641 42.059 0.264 0.000 0.903 69 L HN 0.162 nan 8.230 nan 0.000 0.435 70 F N 0.592 120.634 119.950 0.153 0.000 2.171 70 F HA -0.068 4.384 4.527 -0.125 0.000 0.300 70 F C 2.453 178.315 175.800 0.102 0.000 1.090 70 F CA 0.944 59.100 58.000 0.260 0.000 1.293 70 F CB -1.590 37.597 39.000 0.313 0.000 1.013 70 F HN 0.002 nan 8.300 nan 0.000 0.486 71 G N -0.206 108.767 108.800 0.287 0.000 2.434 71 G HA2 -0.210 3.677 3.960 -0.122 0.000 0.214 71 G HA3 -0.210 3.677 3.960 -0.122 0.000 0.214 71 G C 1.418 176.359 174.900 0.069 0.000 1.202 71 G CA 0.883 46.066 45.100 0.139 0.000 0.788 71 G HN 0.191 nan 8.290 nan 0.000 0.539 72 D N 0.611 121.057 120.400 0.075 0.000 2.157 72 D HA -0.158 4.409 4.640 -0.122 0.000 0.191 72 D C 2.281 178.558 176.300 -0.039 0.000 1.004 72 D CA 1.475 55.487 54.000 0.020 0.000 0.854 72 D CB -0.136 40.669 40.800 0.009 0.000 0.936 72 D HN 0.268 nan 8.370 nan 0.000 0.446 73 K N 0.400 120.757 120.400 -0.072 0.000 2.057 73 K HA 0.008 4.254 4.320 -0.122 0.000 0.206 73 K C 2.230 178.638 176.600 -0.320 0.000 1.050 73 K CA 0.545 56.728 56.287 -0.173 0.000 0.935 73 K CB -0.425 31.983 32.500 -0.154 0.000 0.715 73 K HN 0.115 nan 8.250 nan 0.000 0.439 74 L N -0.059 120.910 121.223 -0.425 0.000 1.989 74 L HA -0.283 3.983 4.340 -0.122 0.000 0.211 74 L C 2.308 179.054 176.870 -0.206 0.000 1.071 74 L CA 1.502 56.073 54.840 -0.449 0.000 0.749 74 L CB -0.588 41.191 42.059 -0.466 0.000 0.890 74 L HN 0.283 nan 8.230 nan 0.000 0.431 75 c N -0.119 118.434 118.600 -0.079 0.000 2.413 75 c HA -0.128 4.369 4.570 -0.122 0.000 0.292 75 c C 2.773 176.845 174.090 -0.030 0.000 1.435 75 c CA 1.300 57.628 56.329 -0.002 0.000 1.791 75 c CB -1.470 41.068 42.510 0.047 0.000 1.784 75 c HN 0.656 nan 8.230 nan 0.000 0.548 76 T N -2.146 112.368 114.554 -0.067 0.000 3.051 76 T HA -0.015 4.262 4.350 -0.122 0.000 0.269 76 T C 1.099 175.774 174.700 -0.042 0.000 1.127 76 T CA 1.443 63.510 62.100 -0.055 0.000 1.107 76 T CB -0.178 68.646 68.868 -0.074 0.000 0.898 76 T HN 0.404 nan 8.240 nan 0.000 0.517 77 V N -0.807 119.079 119.914 -0.047 0.000 3.485 77 V HA 0.533 4.580 4.120 -0.122 0.000 0.280 77 V C 2.491 178.639 176.094 0.090 0.000 1.495 77 V CA 0.119 62.423 62.300 0.007 0.000 1.018 77 V CB -0.075 31.723 31.823 -0.042 0.000 0.818 77 V HN 0.491 nan 8.190 nan 0.000 0.436 78 A N 0.868 123.681 122.820 -0.013 0.000 1.943 78 A HA -0.034 4.213 4.320 -0.122 0.000 0.213 78 A C 2.192 179.834 177.584 0.096 0.000 1.181 78 A CA 1.820 53.801 52.037 -0.092 0.000 0.653 78 A CB -0.674 18.268 19.000 -0.096 0.000 0.833 78 A HN 0.448 nan 8.150 nan 0.000 0.451 79 T N 0.969 115.565 114.554 0.069 0.000 2.869 79 T HA -0.067 4.209 4.350 -0.122 0.000 0.270 79 T C 0.726 175.483 174.700 0.095 0.000 1.082 79 T CA 0.596 62.731 62.100 0.059 0.000 1.123 79 T CB -0.676 68.208 68.868 0.026 0.000 0.856 79 T HN 0.320 nan 8.240 nan 0.000 0.499 80 L N 3.328 124.639 121.223 0.146 0.000 2.617 80 L HA 0.184 4.451 4.340 -0.122 0.000 0.282 80 L C 1.968 178.921 176.870 0.140 0.000 1.174 80 L CA -0.440 54.468 54.840 0.113 0.000 1.016 80 L CB 0.072 42.182 42.059 0.084 0.000 1.337 80 L HN 0.296 nan 8.230 nan 0.000 0.460 81 R N 1.538 122.091 120.500 0.087 0.000 2.090 81 R HA -0.172 4.095 4.340 -0.122 0.000 0.228 81 R C 1.567 177.869 176.300 0.002 0.000 1.110 81 R CA 1.081 57.225 56.100 0.075 0.000 0.973 81 R CB -0.255 30.074 30.300 0.049 0.000 0.869 81 R HN 0.587 nan 8.270 nan 0.000 0.440 82 E N 0.616 120.802 120.200 -0.024 0.000 2.401 82 E HA -0.192 4.084 4.350 -0.122 0.000 0.204 82 E C 0.338 176.873 176.600 -0.109 0.000 1.036 82 E CA 1.728 58.097 56.400 -0.052 0.000 0.856 82 E CB 0.166 29.837 29.700 -0.047 0.000 0.770 82 E HN 0.573 nan 8.360 nan 0.000 0.527 83 T N -1.873 112.565 114.554 -0.192 0.000 3.138 83 T HA 0.058 4.334 4.350 -0.122 0.000 0.245 83 T C 0.835 175.303 174.700 -0.387 0.000 0.982 83 T CA 0.370 62.233 62.100 -0.395 0.000 1.134 83 T CB -0.177 68.242 68.868 -0.749 0.000 1.032 83 T HN 0.178 nan 8.240 nan 0.000 0.442 84 Y N 0.931 121.243 120.300 0.019 0.000 2.472 84 Y HA 0.494 4.971 4.550 -0.122 0.000 0.288 84 Y C 2.376 178.292 175.900 0.026 0.000 1.154 84 Y CA 0.129 58.248 58.100 0.032 0.000 1.238 84 Y CB -0.583 37.905 38.460 0.046 0.000 1.287 84 Y HN 0.372 nan 8.280 nan 0.000 0.524 85 G N 0.665 109.577 108.800 0.187 0.000 5.155 85 G HA2 -0.410 3.476 3.960 -0.122 0.000 0.239 85 G HA3 -0.410 3.476 3.960 -0.122 0.000 0.239 85 G C 1.243 176.200 174.900 0.095 0.000 1.409 85 G CA 0.726 45.887 45.100 0.102 0.000 0.927 85 G HN 0.386 nan 8.290 nan 0.000 0.710 86 E N 0.453 120.719 120.200 0.110 0.000 2.268 86 E HA 0.058 4.335 4.350 -0.122 0.000 0.195 86 E C 2.497 179.125 176.600 0.046 0.000 0.995 86 E CA 1.142 57.608 56.400 0.109 0.000 0.836 86 E CB -0.152 29.653 29.700 0.175 0.000 0.763 86 E HN 0.483 nan 8.360 nan 0.000 0.491 87 M N -0.141 119.481 119.600 0.036 0.000 2.492 87 M HA 0.045 4.452 4.480 -0.122 0.000 0.262 87 M C 2.143 178.354 176.300 -0.148 0.000 1.090 87 M CA 0.529 55.767 55.300 -0.104 0.000 1.110 87 M CB -0.512 32.056 32.600 -0.053 0.000 1.407 87 M HN 0.063 nan 8.290 nan 0.000 0.470 88 A N 0.088 122.879 122.820 -0.049 0.000 2.121 88 A HA -0.138 4.108 4.320 -0.122 0.000 0.218 88 A C 1.796 179.312 177.584 -0.113 0.000 1.154 88 A CA 1.516 53.522 52.037 -0.052 0.000 0.679 88 A CB -0.556 18.447 19.000 0.005 0.000 0.795 88 A HN 0.312 nan 8.150 nan 0.000 0.458 89 D N -0.376 119.935 120.400 -0.149 0.000 2.084 89 D HA -0.128 4.439 4.640 -0.122 0.000 0.194 89 D C 1.985 178.113 176.300 -0.286 0.000 0.990 89 D CA 1.684 55.579 54.000 -0.175 0.000 0.826 89 D CB -0.386 40.333 40.800 -0.135 0.000 0.971 89 D HN 0.479 nan 8.370 nan 0.000 0.453 90 c N -0.076 118.216 118.600 -0.512 0.000 2.425 90 c HA -0.113 4.384 4.570 -0.122 0.000 0.277 90 c C 2.934 176.765 174.090 -0.433 0.000 1.280 90 c CA -0.034 55.889 56.329 -0.677 0.000 1.744 90 c CB -1.083 40.536 42.510 -1.484 0.000 1.989 90 c HN 0.462 nan 8.230 nan 0.000 0.491 91 c N 1.465 119.870 118.600 -0.324 0.000 2.410 91 c HA -0.073 4.423 4.570 -0.122 0.000 0.281 91 c C 3.047 177.086 174.090 -0.085 0.000 1.318 91 c CA 1.239 57.498 56.329 -0.115 0.000 1.776 91 c CB -1.641 40.838 42.510 -0.051 0.000 1.942 91 c HN 0.725 nan 8.230 nan 0.000 0.508 92 A N -0.074 122.681 122.820 -0.108 0.000 2.119 92 A HA -0.012 4.235 4.320 -0.122 0.000 0.217 92 A C 0.957 178.499 177.584 -0.071 0.000 1.153 92 A CA 0.887 52.880 52.037 -0.075 0.000 0.692 92 A CB -0.128 18.829 19.000 -0.072 0.000 0.799 92 A HN 0.709 nan 8.150 nan 0.000 0.458 93 K N 0.466 120.808 120.400 -0.098 0.000 2.098 93 K HA 0.435 4.682 4.320 -0.122 0.000 0.261 93 K C -0.356 176.215 176.600 -0.048 0.000 0.987 93 K CA -0.417 55.822 56.287 -0.079 0.000 0.916 93 K CB 0.869 33.301 32.500 -0.113 0.000 1.039 93 K HN 0.403 nan 8.250 nan 0.000 0.455 94 Q N 0.866 120.650 119.800 -0.027 0.000 2.237 94 Q HA 0.162 4.428 4.340 -0.122 0.000 0.219 94 Q C -0.236 175.765 176.000 0.001 0.000 0.999 94 Q CA -0.745 55.056 55.803 -0.003 0.000 0.959 94 Q CB 0.624 29.364 28.738 0.004 0.000 1.173 94 Q HN 0.330 nan 8.270 nan 0.000 0.527 95 E N 1.015 121.231 120.200 0.026 0.000 2.373 95 E HA 0.089 4.366 4.350 -0.122 0.000 0.263 95 E C -1.784 174.838 176.600 0.037 0.000 1.073 95 E CA -1.675 54.748 56.400 0.038 0.000 0.894 95 E CB 0.368 30.115 29.700 0.079 0.000 1.008 95 E HN 0.399 nan 8.360 nan 0.000 0.420 96 P HA 0.098 nan 4.420 nan 0.000 0.255 96 P C 0.299 177.605 177.300 0.010 0.000 1.301 96 P CA 0.248 63.378 63.100 0.050 0.000 0.817 96 P CB 0.473 32.229 31.700 0.094 0.000 1.259 97 E N 0.141 120.333 120.200 -0.013 0.000 2.072 97 E HA -0.141 4.136 4.350 -0.122 0.000 0.191 97 E C 2.108 178.647 176.600 -0.101 0.000 0.985 97 E CA 0.967 57.339 56.400 -0.046 0.000 0.801 97 E CB -0.413 29.258 29.700 -0.049 0.000 0.750 97 E HN 0.174 nan 8.360 nan 0.000 0.452 98 R N 0.634 121.072 120.500 -0.104 0.000 2.070 98 R HA -0.172 4.095 4.340 -0.122 0.000 0.233 98 R C 2.076 178.279 176.300 -0.162 0.000 1.137 98 R CA 1.862 57.858 56.100 -0.173 0.000 0.945 98 R CB -0.304 29.954 30.300 -0.069 0.000 0.845 98 R HN 0.133 nan 8.270 nan 0.000 0.430 99 N N 0.314 118.952 118.700 -0.102 0.000 2.205 99 N HA -0.191 4.475 4.740 -0.122 0.000 0.186 99 N C 1.550 176.919 175.510 -0.235 0.000 1.015 99 N CA 1.558 54.470 53.050 -0.230 0.000 0.862 99 N CB 0.055 38.192 38.487 -0.583 0.000 0.986 99 N HN 0.362 nan 8.380 nan 0.000 0.429 100 E N -0.728 119.387 120.200 -0.141 0.000 2.106 100 E HA -0.156 4.120 4.350 -0.122 0.000 0.192 100 E C 1.873 178.403 176.600 -0.116 0.000 0.984 100 E CA 0.884 57.242 56.400 -0.070 0.000 0.806 100 E CB -0.139 29.553 29.700 -0.014 0.000 0.750 100 E HN 0.505 nan 8.360 nan 0.000 0.458 101 c N -0.123 118.342 118.600 -0.223 0.000 2.450 101 c HA -0.041 4.455 4.570 -0.122 0.000 0.279 101 c C 2.294 176.061 174.090 -0.538 0.000 1.335 101 c CA 0.174 56.284 56.329 -0.365 0.000 1.749 101 c CB -1.163 41.052 42.510 -0.491 0.000 1.963 101 c HN 0.362 nan 8.230 nan 0.000 0.501 102 F N 1.231 120.892 119.950 -0.482 0.000 2.146 102 F HA 0.064 4.517 4.527 -0.124 0.000 0.298 102 F C 2.192 177.697 175.800 -0.491 0.000 1.096 102 F CA 1.485 59.102 58.000 -0.639 0.000 1.275 102 F CB -0.627 37.716 39.000 -1.095 0.000 1.008 102 F HN 0.141 nan 8.300 nan 0.000 0.480 103 L N -0.651 120.453 121.223 -0.198 0.000 2.083 103 L HA -0.250 4.016 4.340 -0.122 0.000 0.209 103 L C 2.495 179.415 176.870 0.083 0.000 1.083 103 L CA 1.300 56.127 54.840 -0.021 0.000 0.752 103 L CB -0.742 41.333 42.059 0.027 0.000 0.899 103 L HN 0.188 nan 8.230 nan 0.000 0.433 104 Q N -0.459 119.398 119.800 0.094 0.000 2.181 104 Q HA -0.220 4.046 4.340 -0.122 0.000 0.205 104 Q C 1.074 177.244 176.000 0.284 0.000 0.980 104 Q CA 1.461 57.386 55.803 0.203 0.000 0.862 104 Q CB 0.140 29.028 28.738 0.251 0.000 0.905 104 Q HN 0.584 nan 8.270 nan 0.000 0.429 105 H N -0.808 118.247 119.070 -0.026 0.000 2.505 105 H HA 0.264 4.745 4.556 -0.124 0.000 0.286 105 H C -0.608 174.740 175.328 0.034 0.000 1.072 105 H CA -0.160 55.885 56.048 -0.005 0.000 1.141 105 H CB 0.269 30.008 29.762 -0.037 0.000 1.550 105 H HN -0.024 nan 8.280 nan 0.000 0.547 106 K N 1.684 122.178 120.400 0.156 0.000 2.402 106 K HA -0.004 4.242 4.320 -0.122 0.000 0.285 106 K C -0.334 176.348 176.600 0.137 0.000 1.054 106 K CA 0.042 56.398 56.287 0.115 0.000 1.001 106 K CB 0.517 33.028 32.500 0.019 0.000 0.946 106 K HN 0.116 nan 8.250 nan 0.000 0.473 107 D N 2.808 123.273 120.400 0.109 0.000 2.347 107 D HA 0.045 4.611 4.640 -0.122 0.000 0.235 107 D C 0.272 176.631 176.300 0.099 0.000 1.149 107 D CA -0.228 53.826 54.000 0.090 0.000 0.850 107 D CB 0.886 41.725 40.800 0.065 0.000 1.061 107 D HN 0.401 nan 8.370 nan 0.000 0.487 108 D N 2.410 122.880 120.400 0.117 0.000 2.312 108 D HA -0.101 4.466 4.640 -0.122 0.000 0.211 108 D C 0.268 176.594 176.300 0.044 0.000 0.964 108 D CA 0.735 54.801 54.000 0.110 0.000 0.877 108 D CB 0.302 41.165 40.800 0.106 0.000 0.924 108 D HN 0.463 nan 8.370 nan 0.000 0.515 109 N N 0.520 119.237 118.700 0.028 0.000 2.703 109 N HA 0.124 4.791 4.740 -0.122 0.000 0.283 109 N C -2.791 172.721 175.510 0.002 0.000 1.851 109 N CA -1.129 51.924 53.050 0.005 0.000 0.826 109 N CB 1.361 39.851 38.487 0.005 0.000 1.239 109 N HN -0.151 nan 8.380 nan 0.000 0.495 110 P HA 0.186 nan 4.420 nan 0.000 0.281 110 P C -0.959 176.342 177.300 0.001 0.000 1.252 110 P CA -0.355 62.749 63.100 0.007 0.000 0.778 110 P CB 0.730 32.434 31.700 0.006 0.000 0.895 111 N N 2.861 121.568 118.700 0.011 0.000 2.598 111 N HA 0.098 4.764 4.740 -0.122 0.000 0.300 111 N C -0.260 175.256 175.510 0.010 0.000 1.224 111 N CA 0.657 53.713 53.050 0.009 0.000 1.125 111 N CB -0.855 37.639 38.487 0.012 0.000 1.468 111 N HN 0.404 nan 8.380 nan 0.000 0.504 112 L N 1.442 122.663 121.223 -0.003 0.000 2.354 112 L HA 0.579 4.846 4.340 -0.122 0.000 0.269 112 L C -1.696 175.169 176.870 -0.009 0.000 1.005 112 L CA -2.004 52.832 54.840 -0.006 0.000 0.819 112 L CB 1.568 43.609 42.059 -0.029 0.000 1.311 112 L HN 0.196 nan 8.230 nan 0.000 0.423 113 P HA 0.129 nan 4.420 nan 0.000 0.271 113 P C -0.756 176.540 177.300 -0.006 0.000 1.238 113 P CA -0.417 62.684 63.100 0.001 0.000 0.794 113 P CB 0.412 32.117 31.700 0.009 0.000 0.959 114 R N 0.586 121.088 120.500 0.002 0.000 2.389 114 R HA 0.234 4.501 4.340 -0.122 0.000 0.295 114 R C -0.389 175.914 176.300 0.006 0.000 1.075 114 R CA -0.767 55.336 56.100 0.004 0.000 1.005 114 R CB 0.094 30.402 30.300 0.013 0.000 0.987 114 R HN 0.310 nan 8.270 nan 0.000 0.452 115 L N 5.453 126.677 121.223 0.002 0.000 2.325 115 L HA 0.119 4.385 4.340 -0.122 0.000 0.284 115 L C -0.319 176.565 176.870 0.024 0.000 1.089 115 L CA 0.329 55.173 54.840 0.006 0.000 0.836 115 L CB 1.063 43.116 42.059 -0.010 0.000 1.184 115 L HN 0.306 nan 8.230 nan 0.000 0.444 116 V N 7.241 127.173 119.914 0.029 0.000 2.583 116 V HA 0.433 4.480 4.120 -0.122 0.000 0.287 116 V C 0.115 176.241 176.094 0.053 0.000 1.051 116 V CA -0.459 61.865 62.300 0.039 0.000 1.010 116 V CB 0.891 32.736 31.823 0.036 0.000 0.988 116 V HN 0.937 nan 8.190 nan 0.000 0.478 117 R N 7.161 127.702 120.500 0.068 0.000 2.393 117 R HA 0.708 4.974 4.340 -0.122 0.000 0.310 117 R C -2.540 173.817 176.300 0.095 0.000 0.968 117 R CA -1.605 54.553 56.100 0.097 0.000 0.867 117 R CB 1.080 31.454 30.300 0.125 0.000 1.124 117 R HN 0.577 nan 8.270 nan 0.000 0.450 118 P HA 0.060 nan 4.420 nan 0.000 0.282 118 P C -0.697 176.662 177.300 0.098 0.000 1.286 118 P CA -0.438 62.719 63.100 0.095 0.000 0.777 118 P CB 0.516 32.276 31.700 0.101 0.000 1.184 119 E N -0.891 119.356 120.200 0.078 0.000 2.392 119 E HA 0.048 4.325 4.350 -0.122 0.000 0.259 119 E C 1.388 178.038 176.600 0.083 0.000 1.108 119 E CA -0.570 55.870 56.400 0.067 0.000 0.916 119 E CB 0.578 30.307 29.700 0.048 0.000 0.989 119 E HN 0.041 nan 8.360 nan 0.000 0.432 120 V N 2.315 122.268 119.914 0.064 0.000 2.324 120 V HA -0.300 3.746 4.120 -0.122 0.000 0.250 120 V C 1.293 177.434 176.094 0.077 0.000 1.060 120 V CA 2.144 64.483 62.300 0.066 0.000 1.042 120 V CB -0.502 31.328 31.823 0.013 0.000 0.650 120 V HN 0.609 nan 8.190 nan 0.000 0.450 121 D N -0.260 120.174 120.400 0.056 0.000 2.117 121 D HA -0.105 4.461 4.640 -0.122 0.000 0.198 121 D C 2.158 178.492 176.300 0.056 0.000 0.982 121 D CA 1.132 55.163 54.000 0.052 0.000 0.828 121 D CB -0.500 40.322 40.800 0.037 0.000 0.967 121 D HN 0.322 nan 8.370 nan 0.000 0.464 122 V N 1.053 121.003 119.914 0.060 0.000 2.233 122 V HA -0.294 3.753 4.120 -0.122 0.000 0.247 122 V C 2.569 178.700 176.094 0.060 0.000 1.050 122 V CA 1.584 63.919 62.300 0.059 0.000 1.010 122 V CB -0.511 31.354 31.823 0.069 0.000 0.637 122 V HN 0.204 nan 8.190 nan 0.000 0.444 123 M N -0.798 118.869 119.600 0.111 0.000 2.088 123 M HA -0.296 4.110 4.480 -0.122 0.000 0.256 123 M C 2.345 178.600 176.300 -0.076 0.000 1.071 123 M CA 2.282 57.665 55.300 0.138 0.000 1.097 123 M CB -0.788 32.036 32.600 0.374 0.000 1.315 123 M HN 0.456 nan 8.290 nan 0.000 0.406 124 c N -0.186 118.444 118.600 0.051 0.000 2.432 124 c HA -0.084 4.413 4.570 -0.122 0.000 0.280 124 c C 2.764 176.871 174.090 0.029 0.000 1.353 124 c CA 1.200 57.562 56.329 0.055 0.000 1.766 124 c CB -1.184 41.412 42.510 0.145 0.000 1.924 124 c HN 0.595 nan 8.230 nan 0.000 0.509 125 T N 1.328 115.887 114.554 0.008 0.000 2.708 125 T HA -0.123 4.153 4.350 -0.122 0.000 0.266 125 T C 2.187 176.843 174.700 -0.074 0.000 1.037 125 T CA 1.651 63.753 62.100 0.004 0.000 1.146 125 T CB -0.406 68.469 68.868 0.012 0.000 0.865 125 T HN 0.630 nan 8.240 nan 0.000 0.435 126 A N 0.982 123.707 122.820 -0.157 0.000 1.933 126 A HA -0.030 4.216 4.320 -0.122 0.000 0.218 126 A C 2.012 179.313 177.584 -0.472 0.000 1.175 126 A CA 1.311 53.207 52.037 -0.235 0.000 0.628 126 A CB -0.907 18.006 19.000 -0.145 0.000 0.814 126 A HN 0.485 nan 8.150 nan 0.000 0.444 127 F N 0.044 119.420 119.950 -0.957 0.000 2.163 127 F HA -0.096 4.358 4.527 -0.122 0.000 0.297 127 F C 2.147 177.628 175.800 -0.532 0.000 1.094 127 F CA 2.129 59.518 58.000 -1.019 0.000 1.290 127 F CB -0.388 37.919 39.000 -1.154 0.000 1.017 127 F HN 0.398 nan 8.300 nan 0.000 0.483 128 H N -1.309 117.575 119.070 -0.311 0.000 2.448 128 H HA -0.083 4.400 4.556 -0.121 0.000 0.292 128 H C 2.053 177.243 175.328 -0.229 0.000 1.035 128 H CA 1.110 56.975 56.048 -0.305 0.000 1.349 128 H CB -0.167 29.527 29.762 -0.113 0.000 1.425 128 H HN 0.275 nan 8.280 nan 0.000 0.539 129 D N 0.751 121.110 120.400 -0.069 0.000 2.123 129 D HA -0.171 4.396 4.640 -0.122 0.000 0.196 129 D C 0.105 176.357 176.300 -0.080 0.000 0.992 129 D CA 1.123 55.088 54.000 -0.059 0.000 0.833 129 D CB 0.141 40.916 40.800 -0.041 0.000 0.954 129 D HN 0.229 nan 8.370 nan 0.000 0.455 130 N N -0.395 118.229 118.700 -0.128 0.000 3.151 130 N HA -0.049 4.618 4.740 -0.122 0.000 0.219 130 N C 0.266 175.705 175.510 -0.117 0.000 1.434 130 N CA -0.123 52.871 53.050 -0.094 0.000 0.767 130 N CB 0.693 39.172 38.487 -0.013 0.000 1.564 130 N HN 0.165 nan 8.380 nan 0.000 0.612 131 E N 0.676 120.716 120.200 -0.265 0.000 2.268 131 E HA -0.107 4.169 4.350 -0.122 0.000 0.195 131 E C 0.285 176.897 176.600 0.019 0.000 0.995 131 E CA 0.954 57.184 56.400 -0.284 0.000 0.836 131 E CB 0.140 29.377 29.700 -0.772 0.000 0.763 131 E HN 0.566 nan 8.360 nan 0.000 0.491 132 E N 0.881 121.090 120.200 0.016 0.000 2.072 132 E HA -0.101 4.176 4.350 -0.122 0.000 0.190 132 E C 1.986 178.669 176.600 0.139 0.000 0.982 132 E CA 1.667 58.111 56.400 0.075 0.000 0.803 132 E CB -0.088 29.640 29.700 0.046 0.000 0.755 132 E HN 0.336 nan 8.360 nan 0.000 0.453 133 T N 1.190 115.836 114.554 0.153 0.000 2.812 133 T HA -0.103 4.173 4.350 -0.122 0.000 0.264 133 T C 1.555 176.388 174.700 0.221 0.000 1.042 133 T CA 0.579 62.813 62.100 0.225 0.000 1.140 133 T CB -0.383 68.609 68.868 0.207 0.000 0.870 133 T HN 0.068 nan 8.240 nan 0.000 0.445 134 F N 1.962 121.933 119.950 0.035 0.000 2.065 134 F HA -0.087 4.368 4.527 -0.119 0.000 0.298 134 F C 1.938 177.794 175.800 0.093 0.000 1.112 134 F CA 1.099 59.111 58.000 0.021 0.000 1.212 134 F CB -0.627 38.377 39.000 0.006 0.000 0.975 134 F HN 0.045 nan 8.300 nan 0.000 0.476 135 L N -0.177 121.182 121.223 0.226 0.000 2.027 135 L HA -0.243 4.024 4.340 -0.122 0.000 0.206 135 L C 2.468 179.420 176.870 0.138 0.000 1.074 135 L CA 1.589 56.541 54.840 0.187 0.000 0.745 135 L CB -0.752 41.446 42.059 0.231 0.000 0.898 135 L HN 0.003 nan 8.230 nan 0.000 0.433 136 K N 0.025 120.526 120.400 0.168 0.000 2.127 136 K HA -0.284 3.963 4.320 -0.122 0.000 0.208 136 K C 2.184 178.900 176.600 0.194 0.000 1.047 136 K CA 1.646 58.076 56.287 0.239 0.000 0.927 136 K CB -0.127 32.605 32.500 0.385 0.000 0.716 136 K HN 0.011 nan 8.250 nan 0.000 0.450 137 K N 0.457 120.790 120.400 -0.112 0.000 2.026 137 K HA -0.206 4.041 4.320 -0.122 0.000 0.208 137 K C 1.974 178.459 176.600 -0.193 0.000 1.048 137 K CA 1.405 57.427 56.287 -0.440 0.000 0.929 137 K CB -0.502 31.666 32.500 -0.554 0.000 0.713 137 K HN 0.175 nan 8.250 nan 0.000 0.439 138 Y N 1.100 121.187 120.300 -0.356 0.000 2.053 138 Y HA -0.251 4.226 4.550 -0.122 0.000 0.277 138 Y C 1.579 177.298 175.900 -0.301 0.000 1.159 138 Y CA 2.039 59.855 58.100 -0.472 0.000 1.125 138 Y CB -0.489 37.491 38.460 -0.799 0.000 0.969 138 Y HN 0.021 nan 8.280 nan 0.000 0.492 139 L N -0.821 120.213 121.223 -0.314 0.000 2.051 139 L HA -0.301 3.966 4.340 -0.122 0.000 0.214 139 L C 2.462 179.199 176.870 -0.222 0.000 1.076 139 L CA 2.133 56.775 54.840 -0.331 0.000 0.758 139 L CB -1.183 40.827 42.059 -0.082 0.000 0.890 139 L HN 0.408 nan 8.230 nan 0.000 0.433 140 Y N 1.167 121.372 120.300 -0.158 0.000 2.114 140 Y HA -0.244 4.236 4.550 -0.117 0.000 0.284 140 Y C 2.656 178.487 175.900 -0.115 0.000 1.143 140 Y CA 1.675 59.748 58.100 -0.045 0.000 1.135 140 Y CB -0.197 38.367 38.460 0.174 0.000 0.980 140 Y HN 0.120 nan 8.280 nan 0.000 0.499 141 E N 0.059 120.024 120.200 -0.392 0.000 2.072 141 E HA -0.151 4.125 4.350 -0.122 0.000 0.191 141 E C 2.262 178.646 176.600 -0.361 0.000 0.985 141 E CA 1.245 57.375 56.400 -0.450 0.000 0.801 141 E CB -0.247 29.288 29.700 -0.276 0.000 0.750 141 E HN 0.467 nan 8.360 nan 0.000 0.452 142 I N 1.177 121.510 120.570 -0.395 0.000 2.202 142 I HA -0.167 3.930 4.170 -0.122 0.000 0.242 142 I C 2.455 178.492 176.117 -0.134 0.000 1.091 142 I CA 1.020 62.156 61.300 -0.273 0.000 1.368 142 I CB -1.686 35.948 38.000 -0.610 0.000 1.058 142 I HN -0.068 nan 8.210 nan 0.000 0.410 143 A N 1.946 124.624 122.820 -0.237 0.000 1.877 143 A HA -0.218 4.028 4.320 -0.122 0.000 0.216 143 A C 2.451 179.985 177.584 -0.084 0.000 1.186 143 A CA 1.902 53.873 52.037 -0.110 0.000 0.620 143 A CB -0.715 18.197 19.000 -0.146 0.000 0.822 143 A HN 0.527 nan 8.150 nan 0.000 0.443 144 R N -0.547 119.841 120.500 -0.187 0.000 2.127 144 R HA -0.122 4.144 4.340 -0.122 0.000 0.238 144 R C 1.966 178.181 176.300 -0.142 0.000 1.134 144 R CA 1.747 57.748 56.100 -0.165 0.000 0.975 144 R CB -0.410 29.717 30.300 -0.288 0.000 0.865 144 R HN 0.430 nan 8.270 nan 0.000 0.447 145 R N -0.295 120.084 120.500 -0.202 0.000 2.161 145 R HA 0.082 4.348 4.340 -0.122 0.000 0.213 145 R C 0.249 176.288 176.300 -0.436 0.000 1.055 145 R CA 0.714 56.624 56.100 -0.316 0.000 0.996 145 R CB 0.217 30.273 30.300 -0.405 0.000 0.901 145 R HN 0.369 nan 8.270 nan 0.000 0.456 146 H N 0.153 119.263 119.070 0.067 0.000 2.348 146 H HA 0.169 4.650 4.556 -0.124 0.000 0.232 146 H C -1.978 173.452 175.328 0.170 0.000 1.419 146 H CA -2.018 54.139 56.048 0.181 0.000 1.416 146 H CB 1.266 31.253 29.762 0.376 0.000 1.510 146 H HN 0.050 nan 8.280 nan 0.000 0.507 147 P HA -0.128 nan 4.420 nan 0.000 0.231 147 P C 0.279 177.496 177.300 -0.137 0.000 1.158 147 P CA 1.062 64.156 63.100 -0.010 0.000 0.763 147 P CB 0.062 31.706 31.700 -0.092 0.000 0.805 148 Y N -2.690 117.721 120.300 0.184 0.000 2.584 148 Y HA 0.300 4.785 4.550 -0.108 0.000 0.254 148 Y C 0.941 176.957 175.900 0.193 0.000 1.177 148 Y CA -1.063 57.134 58.100 0.161 0.000 1.216 148 Y CB -0.434 38.090 38.460 0.105 0.000 1.172 148 Y HN -0.237 nan 8.280 nan 0.000 0.529 149 F N 1.006 121.092 119.950 0.227 0.000 2.629 149 F HA -0.087 4.425 4.527 -0.026 0.000 0.377 149 F C 0.367 176.317 175.800 0.251 0.000 1.101 149 F CA -0.485 57.635 58.000 0.200 0.000 1.301 149 F CB 0.202 39.274 39.000 0.120 0.000 1.062 149 F HN 0.062 nan 8.300 nan 0.000 0.583 150 Y N 6.095 126.609 120.300 0.357 0.000 2.531 150 Y HA 0.354 4.835 4.550 -0.116 0.000 0.347 150 Y C 0.789 176.879 175.900 0.316 0.000 1.024 150 Y CA -0.937 57.328 58.100 0.277 0.000 1.306 150 Y CB 0.522 39.115 38.460 0.223 0.000 1.149 150 Y HN 0.693 nan 8.280 nan 0.000 0.527 151 A N 7.755 130.645 122.820 0.117 0.000 1.873 151 A HA -0.054 4.193 4.320 -0.122 0.000 0.215 151 A C -0.379 177.130 177.584 -0.125 0.000 1.186 151 A CA 1.219 53.259 52.037 0.005 0.000 0.616 151 A CB -1.574 17.405 19.000 -0.036 0.000 0.823 151 A HN 0.649 nan 8.150 nan 0.000 0.442 152 P HA -0.189 nan 4.420 nan 0.000 0.217 152 P C 1.240 178.419 177.300 -0.202 0.000 1.151 152 P CA 1.412 64.320 63.100 -0.320 0.000 0.849 152 P CB -0.030 31.351 31.700 -0.531 0.000 0.787 153 E N -0.992 119.096 120.200 -0.187 0.000 2.106 153 E HA -0.122 4.155 4.350 -0.122 0.000 0.192 153 E C 1.877 178.575 176.600 0.163 0.000 0.984 153 E CA 0.710 57.125 56.400 0.026 0.000 0.806 153 E CB -0.923 28.954 29.700 0.294 0.000 0.750 153 E HN 0.160 nan 8.360 nan 0.000 0.458 154 L N 1.091 122.447 121.223 0.222 0.000 2.187 154 L HA -0.134 4.132 4.340 -0.122 0.000 0.213 154 L C 2.095 179.019 176.870 0.090 0.000 1.100 154 L CA 1.271 56.166 54.840 0.092 0.000 0.765 154 L CB -0.538 41.416 42.059 -0.174 0.000 0.904 154 L HN 0.071 nan 8.230 nan 0.000 0.437 155 L N -2.116 119.132 121.223 0.040 0.000 2.072 155 L HA -0.193 4.074 4.340 -0.122 0.000 0.205 155 L C 2.454 179.351 176.870 0.045 0.000 1.079 155 L CA 1.302 56.164 54.840 0.036 0.000 0.752 155 L CB -0.820 41.239 42.059 -0.000 0.000 0.906 155 L HN 0.293 nan 8.230 nan 0.000 0.436 156 F N 0.693 120.549 119.950 -0.156 0.000 2.171 156 F HA -0.198 4.253 4.527 -0.126 0.000 0.300 156 F C 2.060 177.713 175.800 -0.246 0.000 1.090 156 F CA 1.372 59.219 58.000 -0.256 0.000 1.293 156 F CB -0.300 38.440 39.000 -0.433 0.000 1.013 156 F HN -0.135 nan 8.300 nan 0.000 0.486 157 F N 0.349 120.269 119.950 -0.050 0.000 2.206 157 F HA -0.013 4.435 4.527 -0.132 0.000 0.298 157 F C 2.621 178.372 175.800 -0.082 0.000 1.090 157 F CA 0.708 58.643 58.000 -0.109 0.000 1.323 157 F CB -1.012 38.072 39.000 0.141 0.000 1.028 157 F HN 0.065 nan 8.300 nan 0.000 0.492 158 A N 0.139 123.100 122.820 0.235 0.000 1.940 158 A HA -0.237 4.009 4.320 -0.122 0.000 0.219 158 A C 2.182 179.786 177.584 0.032 0.000 1.176 158 A CA 1.779 53.911 52.037 0.159 0.000 0.631 158 A CB -0.680 18.463 19.000 0.239 0.000 0.814 158 A HN 0.327 nan 8.150 nan 0.000 0.446 159 K N -0.598 119.775 120.400 -0.045 0.000 2.026 159 K HA -0.135 4.112 4.320 -0.122 0.000 0.208 159 K C 2.333 178.858 176.600 -0.125 0.000 1.048 159 K CA 1.291 57.527 56.287 -0.085 0.000 0.929 159 K CB -0.153 32.262 32.500 -0.141 0.000 0.713 159 K HN 0.392 nan 8.250 nan 0.000 0.439 160 R N -0.608 119.754 120.500 -0.230 0.000 2.096 160 R HA -0.174 4.093 4.340 -0.122 0.000 0.235 160 R C 2.275 178.528 176.300 -0.079 0.000 1.127 160 R CA 1.319 57.310 56.100 -0.181 0.000 0.968 160 R CB -0.594 29.571 30.300 -0.224 0.000 0.861 160 R HN 0.329 nan 8.270 nan 0.000 0.440 161 Y N 2.253 122.412 120.300 -0.234 0.000 2.097 161 Y HA -0.283 4.195 4.550 -0.119 0.000 0.282 161 Y C 2.585 178.445 175.900 -0.066 0.000 1.152 161 Y CA 1.789 59.730 58.100 -0.266 0.000 1.136 161 Y CB -0.253 37.778 38.460 -0.715 0.000 0.975 161 Y HN -0.099 nan 8.280 nan 0.000 0.498 162 K N -0.163 120.255 120.400 0.029 0.000 2.074 162 K HA -0.231 4.016 4.320 -0.122 0.000 0.209 162 K C 2.140 178.716 176.600 -0.041 0.000 1.048 162 K CA 1.512 57.834 56.287 0.058 0.000 0.926 162 K CB -0.440 32.151 32.500 0.152 0.000 0.713 162 K HN 0.388 nan 8.250 nan 0.000 0.444 163 A N 0.604 123.390 122.820 -0.057 0.000 2.014 163 A HA 0.012 4.258 4.320 -0.122 0.000 0.218 163 A C 2.219 179.719 177.584 -0.140 0.000 1.163 163 A CA 1.473 53.470 52.037 -0.066 0.000 0.652 163 A CB -0.560 18.403 19.000 -0.061 0.000 0.808 163 A HN 0.487 nan 8.150 nan 0.000 0.449 164 A N -0.501 122.188 122.820 -0.219 0.000 1.845 164 A HA -0.012 4.235 4.320 -0.122 0.000 0.215 164 A C 1.923 179.235 177.584 -0.453 0.000 1.195 164 A CA 1.553 53.389 52.037 -0.334 0.000 0.616 164 A CB -0.896 17.842 19.000 -0.437 0.000 0.832 164 A HN 0.450 nan 8.150 nan 0.000 0.443 165 F N 0.716 120.299 119.950 -0.611 0.000 2.161 165 F HA -0.162 4.290 4.527 -0.125 0.000 0.300 165 F C 2.808 178.172 175.800 -0.726 0.000 1.089 165 F CA 1.830 59.319 58.000 -0.851 0.000 1.282 165 F CB -0.958 37.099 39.000 -1.570 0.000 1.010 165 F HN 0.148 nan 8.300 nan 0.000 0.485 166 T N -0.539 113.778 114.554 -0.395 0.000 2.652 166 T HA -0.287 3.990 4.350 -0.122 0.000 0.267 166 T C 1.832 176.554 174.700 0.036 0.000 1.039 166 T CA 1.867 63.988 62.100 0.035 0.000 1.153 166 T CB -0.365 68.581 68.868 0.131 0.000 0.863 166 T HN 0.426 nan 8.240 nan 0.000 0.428 167 E N -0.108 120.062 120.200 -0.051 0.000 2.001 167 E HA -0.132 4.145 4.350 -0.122 0.000 0.193 167 E C 2.379 178.942 176.600 -0.063 0.000 0.994 167 E CA 1.500 57.874 56.400 -0.043 0.000 0.815 167 E CB -0.409 29.251 29.700 -0.067 0.000 0.770 167 E HN 0.452 nan 8.360 nan 0.000 0.453 168 c N 0.676 119.189 118.600 -0.147 0.000 2.410 168 c HA -0.095 4.402 4.570 -0.122 0.000 0.281 168 c C 2.590 176.625 174.090 -0.092 0.000 1.318 168 c CA 0.427 56.663 56.329 -0.155 0.000 1.776 168 c CB -1.037 41.310 42.510 -0.272 0.000 1.942 168 c HN 0.632 nan 8.230 nan 0.000 0.508 169 c N 0.434 119.009 118.600 -0.041 0.000 2.539 169 c HA 0.017 4.513 4.570 -0.122 0.000 0.271 169 c C 2.221 176.384 174.090 0.122 0.000 1.412 169 c CA 0.566 56.946 56.329 0.085 0.000 1.729 169 c CB -1.391 41.255 42.510 0.227 0.000 1.739 169 c HN 0.625 nan 8.230 nan 0.000 0.570 170 Q N 0.253 120.095 119.800 0.069 0.000 2.246 170 Q HA 0.309 4.576 4.340 -0.122 0.000 0.222 170 Q C 0.944 176.949 176.000 0.008 0.000 0.851 170 Q CA 0.099 55.925 55.803 0.038 0.000 0.945 170 Q CB 0.093 28.856 28.738 0.042 0.000 1.122 170 Q HN 0.604 nan 8.270 nan 0.000 0.508 171 A N 0.770 123.586 122.820 -0.007 0.000 2.483 171 A HA 0.384 4.631 4.320 -0.122 0.000 0.238 171 A C 1.389 178.965 177.584 -0.014 0.000 1.070 171 A CA 0.719 52.746 52.037 -0.018 0.000 0.770 171 A CB 0.391 19.369 19.000 -0.036 0.000 1.008 171 A HN 0.287 nan 8.150 nan 0.000 0.497 172 A N 0.873 123.685 122.820 -0.014 0.000 1.933 172 A HA -0.052 4.195 4.320 -0.122 0.000 0.218 172 A C 1.037 178.613 177.584 -0.013 0.000 1.175 172 A CA 1.878 53.907 52.037 -0.012 0.000 0.628 172 A CB -0.110 18.884 19.000 -0.011 0.000 0.814 172 A HN 0.789 nan 8.150 nan 0.000 0.444 173 D N -1.025 119.364 120.400 -0.019 0.000 2.438 173 D HA 0.325 4.891 4.640 -0.122 0.000 0.257 173 D C 0.513 176.794 176.300 -0.033 0.000 1.148 173 D CA -0.261 53.726 54.000 -0.022 0.000 0.902 173 D CB 0.677 41.465 40.800 -0.021 0.000 1.062 173 D HN 0.229 nan 8.370 nan 0.000 0.518 174 K N 1.326 121.707 120.400 -0.033 0.000 2.063 174 K HA -0.132 4.115 4.320 -0.122 0.000 0.208 174 K C 1.959 178.514 176.600 -0.074 0.000 1.048 174 K CA 1.483 57.739 56.287 -0.053 0.000 0.928 174 K CB 0.134 32.613 32.500 -0.036 0.000 0.713 174 K HN 0.344 nan 8.250 nan 0.000 0.442 175 A N 1.618 124.405 122.820 -0.054 0.000 1.858 175 A HA -0.148 4.099 4.320 -0.122 0.000 0.216 175 A C 2.436 179.981 177.584 -0.065 0.000 1.190 175 A CA 1.978 53.980 52.037 -0.058 0.000 0.617 175 A CB -0.998 17.983 19.000 -0.032 0.000 0.827 175 A HN 0.334 nan 8.150 nan 0.000 0.443 176 A N -1.238 121.552 122.820 -0.050 0.000 1.978 176 A HA -0.217 4.030 4.320 -0.122 0.000 0.220 176 A C 2.391 179.939 177.584 -0.060 0.000 1.170 176 A CA 1.847 53.857 52.037 -0.046 0.000 0.636 176 A CB -1.363 17.616 19.000 -0.034 0.000 0.810 176 A HN 0.812 nan 8.150 nan 0.000 0.448 177 c N -1.395 117.160 118.600 -0.076 0.000 2.508 177 c HA 0.040 4.536 4.570 -0.122 0.000 0.280 177 c C 2.419 176.426 174.090 -0.137 0.000 1.262 177 c CA 1.190 57.462 56.329 -0.096 0.000 1.706 177 c CB -1.329 41.121 42.510 -0.100 0.000 2.078 177 c HN 0.571 nan 8.230 nan 0.000 0.480 178 L N 0.946 122.062 121.223 -0.180 0.000 1.948 178 L HA -0.030 4.237 4.340 -0.122 0.000 0.212 178 L C 2.530 179.279 176.870 -0.201 0.000 1.074 178 L CA 1.982 56.658 54.840 -0.273 0.000 0.753 178 L CB -0.852 40.995 42.059 -0.352 0.000 0.888 178 L HN 0.384 nan 8.230 nan 0.000 0.432 179 L N -0.248 120.895 121.223 -0.134 0.000 2.051 179 L HA -0.209 4.058 4.340 -0.122 0.000 0.214 179 L C -0.101 176.731 176.870 -0.062 0.000 1.076 179 L CA 1.637 56.428 54.840 -0.083 0.000 0.758 179 L CB -2.520 39.510 42.059 -0.049 0.000 0.890 179 L HN 0.320 nan 8.230 nan 0.000 0.433 180 P HA -0.192 nan 4.420 nan 0.000 0.215 180 P C 1.450 178.725 177.300 -0.043 0.000 1.157 180 P CA 1.568 64.644 63.100 -0.040 0.000 0.874 180 P CB -0.014 31.663 31.700 -0.038 0.000 0.790 181 K N -0.510 119.845 120.400 -0.075 0.000 2.026 181 K HA -0.063 4.183 4.320 -0.122 0.000 0.208 181 K C 2.304 178.868 176.600 -0.060 0.000 1.048 181 K CA 1.118 57.359 56.287 -0.077 0.000 0.929 181 K CB -0.764 31.657 32.500 -0.132 0.000 0.713 181 K HN 0.095 nan 8.250 nan 0.000 0.439 182 L N 1.135 122.305 121.223 -0.088 0.000 2.042 182 L HA -0.250 4.016 4.340 -0.122 0.000 0.210 182 L C 1.856 178.741 176.870 0.026 0.000 1.076 182 L CA 1.158 55.989 54.840 -0.015 0.000 0.749 182 L CB -0.481 41.571 42.059 -0.011 0.000 0.893 182 L HN 0.228 nan 8.230 nan 0.000 0.432 183 D N -0.366 120.039 120.400 0.007 0.000 2.144 183 D HA -0.193 4.373 4.640 -0.122 0.000 0.200 183 D C 2.055 178.368 176.300 0.022 0.000 0.978 183 D CA 0.974 54.986 54.000 0.020 0.000 0.833 183 D CB 0.035 40.843 40.800 0.013 0.000 0.961 183 D HN 0.345 nan 8.370 nan 0.000 0.470 184 E N 0.150 120.361 120.200 0.018 0.000 2.077 184 E HA -0.127 4.149 4.350 -0.122 0.000 0.193 184 E C 2.219 178.840 176.600 0.033 0.000 0.989 184 E CA 0.533 56.952 56.400 0.031 0.000 0.800 184 E CB -0.025 29.697 29.700 0.036 0.000 0.746 184 E HN 0.202 nan 8.360 nan 0.000 0.452 185 L N 0.450 121.691 121.223 0.028 0.000 2.093 185 L HA -0.137 4.130 4.340 -0.122 0.000 0.208 185 L C 2.857 179.701 176.870 -0.044 0.000 1.085 185 L CA 0.707 55.547 54.840 -0.000 0.000 0.755 185 L CB -0.355 41.734 42.059 0.051 0.000 0.904 185 L HN 0.121 nan 8.230 nan 0.000 0.435 186 R N 0.388 120.895 120.500 0.012 0.000 2.070 186 R HA -0.192 4.075 4.340 -0.122 0.000 0.233 186 R C 1.723 178.020 176.300 -0.005 0.000 1.137 186 R CA 2.051 58.161 56.100 0.017 0.000 0.945 186 R CB -0.439 29.888 30.300 0.045 0.000 0.845 186 R HN 0.310 nan 8.270 nan 0.000 0.430 187 D N 0.360 120.763 120.400 0.006 0.000 2.097 187 D HA -0.149 4.418 4.640 -0.122 0.000 0.197 187 D C 1.763 178.063 176.300 0.001 0.000 0.984 187 D CA 1.143 55.151 54.000 0.013 0.000 0.826 187 D CB -0.154 40.662 40.800 0.026 0.000 0.973 187 D HN 0.380 nan 8.370 nan 0.000 0.460 188 E N -0.215 119.982 120.200 -0.005 0.000 2.204 188 E HA -0.103 4.174 4.350 -0.122 0.000 0.195 188 E C 1.926 178.453 176.600 -0.121 0.000 0.990 188 E CA 1.088 57.494 56.400 0.011 0.000 0.821 188 E CB -0.102 29.654 29.700 0.094 0.000 0.750 188 E HN 0.266 nan 8.360 nan 0.000 0.477 189 G N 0.883 109.540 108.800 -0.238 0.000 2.404 189 G HA2 -0.221 3.666 3.960 -0.122 0.000 0.213 189 G HA3 -0.221 3.666 3.960 -0.122 0.000 0.213 189 G C 1.360 176.203 174.900 -0.095 0.000 1.189 189 G CA 0.497 45.458 45.100 -0.232 0.000 0.796 189 G HN 0.115 nan 8.290 nan 0.000 0.532 190 K N 0.699 121.044 120.400 -0.092 0.000 2.077 190 K HA -0.199 4.047 4.320 -0.122 0.000 0.213 190 K C 2.843 179.379 176.600 -0.107 0.000 1.051 190 K CA 1.462 57.690 56.287 -0.098 0.000 0.929 190 K CB -0.321 32.182 32.500 0.005 0.000 0.715 190 K HN 0.287 nan 8.250 nan 0.000 0.451 191 A N 0.711 123.505 122.820 -0.044 0.000 1.929 191 A HA -0.143 4.103 4.320 -0.122 0.000 0.216 191 A C 2.245 179.808 177.584 -0.036 0.000 1.176 191 A CA 1.846 53.885 52.037 0.003 0.000 0.628 191 A CB -0.518 18.517 19.000 0.057 0.000 0.816 191 A HN 0.300 nan 8.150 nan 0.000 0.444 192 S N -0.205 115.462 115.700 -0.056 0.000 2.356 192 S HA -0.184 4.213 4.470 -0.122 0.000 0.223 192 S C 2.402 176.786 174.600 -0.359 0.000 1.032 192 S CA 2.124 60.273 58.200 -0.086 0.000 1.005 192 S CB -0.560 62.699 63.200 0.098 0.000 0.867 192 S HN 0.749 nan 8.310 nan 0.000 0.449 193 S N 1.105 116.395 115.700 -0.684 0.000 2.365 193 S HA -0.122 4.274 4.470 -0.122 0.000 0.225 193 S C 2.049 176.489 174.600 -0.265 0.000 1.039 193 S CA 1.800 59.593 58.200 -0.679 0.000 1.033 193 S CB -0.956 61.836 63.200 -0.680 0.000 0.887 193 S HN 0.713 nan 8.310 nan 0.000 0.447 194 A N 1.465 124.181 122.820 -0.172 0.000 1.841 194 A HA -0.030 4.216 4.320 -0.122 0.000 0.214 194 A C 2.186 179.695 177.584 -0.124 0.000 1.195 194 A CA 1.666 53.639 52.037 -0.107 0.000 0.611 194 A CB -0.881 18.078 19.000 -0.068 0.000 0.835 194 A HN 0.630 nan 8.150 nan 0.000 0.443 195 K N -1.175 119.162 120.400 -0.105 0.000 2.097 195 K HA -0.308 3.938 4.320 -0.122 0.000 0.214 195 K C 2.354 178.856 176.600 -0.163 0.000 1.052 195 K CA 2.194 58.412 56.287 -0.116 0.000 0.932 195 K CB -0.143 32.316 32.500 -0.067 0.000 0.716 195 K HN 0.504 nan 8.250 nan 0.000 0.455 196 Q N 0.532 120.244 119.800 -0.147 0.000 2.230 196 Q HA -0.101 4.165 4.340 -0.122 0.000 0.202 196 Q C 1.772 177.711 176.000 -0.102 0.000 0.963 196 Q CA 1.275 57.006 55.803 -0.120 0.000 0.866 196 Q CB 0.023 28.728 28.738 -0.056 0.000 0.931 196 Q HN 0.064 nan 8.270 nan 0.000 0.452 197 R N -0.526 119.896 120.500 -0.130 0.000 2.115 197 R HA -0.032 4.235 4.340 -0.122 0.000 0.226 197 R C 1.774 177.942 176.300 -0.221 0.000 1.100 197 R CA 0.865 56.844 56.100 -0.201 0.000 0.980 197 R CB -0.589 29.603 30.300 -0.180 0.000 0.875 197 R HN 0.389 nan 8.270 nan 0.000 0.445 198 L N 0.572 121.666 121.223 -0.215 0.000 2.141 198 L HA -0.028 4.239 4.340 -0.122 0.000 0.209 198 L C 1.520 178.218 176.870 -0.287 0.000 1.094 198 L CA 1.807 56.489 54.840 -0.263 0.000 0.763 198 L CB -0.243 41.616 42.059 -0.334 0.000 0.908 198 L HN 0.068 nan 8.230 nan 0.000 0.437 199 K N -1.448 118.801 120.400 -0.252 0.000 2.057 199 K HA -0.129 4.117 4.320 -0.122 0.000 0.206 199 K C 2.087 178.667 176.600 -0.033 0.000 1.050 199 K CA 1.621 57.819 56.287 -0.149 0.000 0.935 199 K CB -0.419 31.990 32.500 -0.151 0.000 0.715 199 K HN 0.401 nan 8.250 nan 0.000 0.439 200 c N 0.372 118.939 118.600 -0.055 0.000 2.446 200 c HA 0.039 4.536 4.570 -0.122 0.000 0.279 200 c C 2.771 176.848 174.090 -0.021 0.000 1.366 200 c CA 0.504 56.831 56.329 -0.003 0.000 1.763 200 c CB -0.736 41.802 42.510 0.047 0.000 1.929 200 c HN 0.512 nan 8.230 nan 0.000 0.509 201 A N 0.871 123.649 122.820 -0.070 0.000 1.872 201 A HA -0.082 4.164 4.320 -0.122 0.000 0.214 201 A C 2.220 179.898 177.584 0.157 0.000 1.187 201 A CA 2.013 54.053 52.037 0.005 0.000 0.614 201 A CB -0.835 18.158 19.000 -0.012 0.000 0.826 201 A HN 0.529 nan 8.150 nan 0.000 0.442 202 S N 0.426 116.195 115.700 0.114 0.000 2.389 202 S HA -0.255 4.142 4.470 -0.122 0.000 0.229 202 S C 1.871 176.623 174.600 0.253 0.000 1.048 202 S CA 1.841 60.156 58.200 0.192 0.000 1.117 202 S CB -0.781 62.448 63.200 0.049 0.000 1.020 202 S HN 0.466 nan 8.310 nan 0.000 0.430 203 L N 1.154 122.478 121.223 0.168 0.000 1.970 203 L HA -0.225 4.041 4.340 -0.122 0.000 0.212 203 L C 2.951 179.877 176.870 0.093 0.000 1.071 203 L CA 1.627 56.531 54.840 0.107 0.000 0.751 203 L CB -0.531 41.525 42.059 -0.005 0.000 0.889 203 L HN 0.386 nan 8.230 nan 0.000 0.432 204 Q N -0.784 119.064 119.800 0.080 0.000 2.119 204 Q HA -0.151 4.116 4.340 -0.122 0.000 0.201 204 Q C 1.975 177.976 176.000 0.001 0.000 0.972 204 Q CA 1.036 56.873 55.803 0.058 0.000 0.847 204 Q CB 0.150 28.934 28.738 0.077 0.000 0.903 204 Q HN 0.306 nan 8.270 nan 0.000 0.433 205 K N -0.952 119.426 120.400 -0.035 0.000 2.348 205 K HA 0.100 4.347 4.320 -0.122 0.000 0.194 205 K C 0.935 177.216 176.600 -0.531 0.000 1.052 205 K CA 0.575 56.690 56.287 -0.287 0.000 1.004 205 K CB 0.608 32.874 32.500 -0.389 0.000 0.873 205 K HN 0.161 nan 8.250 nan 0.000 0.523 206 F N 0.079 120.052 119.950 0.037 0.000 2.784 206 F HA 0.276 4.725 4.527 -0.131 0.000 0.323 206 F C 0.933 176.767 175.800 0.057 0.000 1.085 206 F CA 0.166 58.194 58.000 0.048 0.000 1.196 206 F CB 0.979 40.014 39.000 0.058 0.000 1.053 206 F HN 0.052 nan 8.300 nan 0.000 0.578 207 G N 1.512 110.430 108.800 0.196 0.000 2.663 207 G HA2 -0.198 3.688 3.960 -0.122 0.000 0.686 207 G HA3 -0.198 3.688 3.960 -0.122 0.000 0.686 207 G C 0.529 175.529 174.900 0.167 0.000 1.288 207 G CA -0.129 45.054 45.100 0.140 0.000 0.836 207 G HN 0.399 nan 8.290 nan 0.000 0.584 208 E N 0.048 120.325 120.200 0.129 0.000 2.216 208 E HA -0.043 4.234 4.350 -0.122 0.000 0.192 208 E C 2.201 178.921 176.600 0.201 0.000 0.988 208 E CA 0.843 57.338 56.400 0.158 0.000 0.834 208 E CB 0.047 29.799 29.700 0.087 0.000 0.772 208 E HN 0.564 nan 8.360 nan 0.000 0.479 209 R N 0.749 121.343 120.500 0.156 0.000 2.103 209 R HA -0.196 4.070 4.340 -0.122 0.000 0.242 209 R C 2.357 178.755 176.300 0.164 0.000 1.142 209 R CA 1.817 58.004 56.100 0.145 0.000 0.960 209 R CB -0.402 29.968 30.300 0.117 0.000 0.858 209 R HN 0.341 nan 8.270 nan 0.000 0.439 210 A N 0.124 123.054 122.820 0.184 0.000 1.858 210 A HA -0.213 4.033 4.320 -0.122 0.000 0.216 210 A C 2.011 179.726 177.584 0.217 0.000 1.190 210 A CA 1.449 53.596 52.037 0.184 0.000 0.617 210 A CB -0.900 18.216 19.000 0.193 0.000 0.827 210 A HN 0.475 nan 8.150 nan 0.000 0.443 211 F N 0.799 120.806 119.950 0.097 0.000 2.065 211 F HA -0.233 4.211 4.527 -0.139 0.000 0.298 211 F C 2.295 178.159 175.800 0.107 0.000 1.112 211 F CA 2.379 60.417 58.000 0.064 0.000 1.212 211 F CB -0.186 38.826 39.000 0.020 0.000 0.975 211 F HN 0.136 nan 8.300 nan 0.000 0.476 212 K N 0.214 120.798 120.400 0.307 0.000 2.000 212 K HA -0.289 3.957 4.320 -0.122 0.000 0.218 212 K C 2.294 178.960 176.600 0.110 0.000 1.053 212 K CA 1.661 58.069 56.287 0.202 0.000 0.946 212 K CB -0.934 31.680 32.500 0.190 0.000 0.723 212 K HN 0.394 nan 8.250 nan 0.000 0.446 213 A N 1.584 124.475 122.820 0.117 0.000 1.884 213 A HA -0.243 4.003 4.320 -0.122 0.000 0.219 213 A C 1.984 179.595 177.584 0.046 0.000 1.197 213 A CA 1.744 53.829 52.037 0.080 0.000 0.637 213 A CB -1.142 17.898 19.000 0.065 0.000 0.827 213 A HN 0.620 nan 8.150 nan 0.000 0.450 214 W N 0.388 121.596 121.300 -0.154 0.000 2.338 214 W HA -0.184 4.427 4.660 -0.082 0.000 0.304 214 W C 2.604 178.962 176.519 -0.268 0.000 1.212 214 W CA 2.171 59.377 57.345 -0.231 0.000 1.264 214 W CB -0.651 28.620 29.460 -0.315 0.000 1.142 214 W HN 0.463 nan 8.180 nan 0.000 0.512 215 A N -0.030 122.753 122.820 -0.062 0.000 1.877 215 A HA -0.179 4.068 4.320 -0.122 0.000 0.216 215 A C 2.188 179.776 177.584 0.007 0.000 1.186 215 A CA 2.469 54.438 52.037 -0.114 0.000 0.620 215 A CB -1.165 17.735 19.000 -0.167 0.000 0.822 215 A HN 0.071 nan 8.150 nan 0.000 0.443 216 V N -0.031 119.912 119.914 0.048 0.000 2.233 216 V HA -0.283 3.763 4.120 -0.122 0.000 0.247 216 V C 3.089 179.230 176.094 0.079 0.000 1.050 216 V CA 2.136 64.498 62.300 0.104 0.000 1.010 216 V CB -1.468 30.451 31.823 0.161 0.000 0.637 216 V HN 0.644 nan 8.190 nan 0.000 0.444 217 A N 0.228 123.052 122.820 0.007 0.000 1.869 217 A HA -0.346 3.901 4.320 -0.122 0.000 0.218 217 A C 2.296 179.840 177.584 -0.067 0.000 1.203 217 A CA 2.776 54.775 52.037 -0.064 0.000 0.638 217 A CB -0.675 18.217 19.000 -0.181 0.000 0.831 217 A HN 0.487 nan 8.150 nan 0.000 0.450 218 R N -0.153 120.306 120.500 -0.067 0.000 2.088 218 R HA -0.073 4.193 4.340 -0.122 0.000 0.232 218 R C 2.082 178.326 176.300 -0.094 0.000 1.136 218 R CA 2.046 58.108 56.100 -0.064 0.000 0.926 218 R CB -0.933 29.374 30.300 0.012 0.000 0.837 218 R HN 0.517 nan 8.270 nan 0.000 0.429 219 L N 0.036 121.226 121.223 -0.056 0.000 2.043 219 L HA -0.239 4.027 4.340 -0.122 0.000 0.212 219 L C 2.384 179.201 176.870 -0.087 0.000 1.075 219 L CA 1.841 56.630 54.840 -0.085 0.000 0.752 219 L CB -0.547 41.568 42.059 0.093 0.000 0.891 219 L HN 0.274 nan 8.230 nan 0.000 0.432 220 S N -0.768 114.958 115.700 0.042 0.000 2.382 220 S HA -0.240 4.156 4.470 -0.122 0.000 0.228 220 S C 1.900 176.472 174.600 -0.046 0.000 1.027 220 S CA 1.178 59.430 58.200 0.087 0.000 0.991 220 S CB -0.242 63.047 63.200 0.148 0.000 0.823 220 S HN 0.457 nan 8.310 nan 0.000 0.469 221 Q N 0.293 120.032 119.800 -0.103 0.000 2.170 221 Q HA -0.063 4.203 4.340 -0.122 0.000 0.203 221 Q C 2.353 178.253 176.000 -0.166 0.000 0.976 221 Q CA 1.049 56.776 55.803 -0.127 0.000 0.858 221 Q CB -0.071 28.596 28.738 -0.118 0.000 0.907 221 Q HN 0.398 nan 8.270 nan 0.000 0.433 222 R N -0.690 119.630 120.500 -0.299 0.000 2.100 222 R HA -0.016 4.251 4.340 -0.122 0.000 0.220 222 R C -0.033 176.087 176.300 -0.301 0.000 1.091 222 R CA 0.635 56.457 56.100 -0.463 0.000 0.986 222 R CB 0.475 30.240 30.300 -0.892 0.000 0.888 222 R HN 0.051 nan 8.270 nan 0.000 0.444 223 F N 0.868 120.832 119.950 0.022 0.000 2.627 223 F HA 0.383 4.838 4.527 -0.119 0.000 0.329 223 F C -1.845 173.982 175.800 0.045 0.000 1.378 223 F CA -3.109 54.912 58.000 0.036 0.000 1.134 223 F CB 1.378 40.413 39.000 0.058 0.000 1.229 223 F HN -0.041 nan 8.300 nan 0.000 0.537 224 P HA -0.168 nan 4.420 nan 0.000 0.222 224 P C 1.121 178.467 177.300 0.075 0.000 1.147 224 P CA 1.314 64.441 63.100 0.044 0.000 0.790 224 P CB 0.313 31.989 31.700 -0.040 0.000 0.780 225 K N -0.278 120.185 120.400 0.105 0.000 2.288 225 K HA 0.106 4.353 4.320 -0.122 0.000 0.201 225 K C 1.245 177.921 176.600 0.126 0.000 1.048 225 K CA 0.276 56.616 56.287 0.088 0.000 0.956 225 K CB -0.200 32.336 32.500 0.060 0.000 0.746 225 K HN 0.098 nan 8.250 nan 0.000 0.461 226 A N 2.280 125.206 122.820 0.177 0.000 2.388 226 A HA 0.084 4.330 4.320 -0.122 0.000 0.257 226 A C -0.234 177.502 177.584 0.254 0.000 1.095 226 A CA -0.313 51.826 52.037 0.170 0.000 0.791 226 A CB 0.209 19.302 19.000 0.155 0.000 1.029 226 A HN 0.170 nan 8.150 nan 0.000 0.489 227 E N 0.629 120.920 120.200 0.152 0.000 2.398 227 E HA 0.072 4.348 4.350 -0.122 0.000 0.263 227 E C 0.318 176.887 176.600 -0.052 0.000 1.046 227 E CA -0.095 56.376 56.400 0.118 0.000 0.908 227 E CB 0.364 30.104 29.700 0.066 0.000 0.963 227 E HN 0.661 nan 8.360 nan 0.000 0.431 228 F N 3.017 122.646 119.950 -0.536 0.000 2.091 228 F HA -0.279 4.175 4.527 -0.123 0.000 0.299 228 F C 2.046 177.660 175.800 -0.310 0.000 1.103 228 F CA 2.085 59.570 58.000 -0.858 0.000 1.228 228 F CB -0.452 37.991 39.000 -0.929 0.000 0.984 228 F HN 0.577 nan 8.300 nan 0.000 0.477 229 A N -0.254 122.403 122.820 -0.272 0.000 1.948 229 A HA -0.296 3.950 4.320 -0.122 0.000 0.220 229 A C 2.089 179.527 177.584 -0.244 0.000 1.177 229 A CA 2.107 53.987 52.037 -0.262 0.000 0.636 229 A CB -1.033 17.935 19.000 -0.054 0.000 0.815 229 A HN 0.553 nan 8.150 nan 0.000 0.449 230 E N -0.211 119.902 120.200 -0.144 0.000 2.028 230 E HA -0.102 4.175 4.350 -0.122 0.000 0.191 230 E C 1.872 178.431 176.600 -0.068 0.000 0.988 230 E CA 1.562 57.932 56.400 -0.051 0.000 0.799 230 E CB -0.465 29.239 29.700 0.007 0.000 0.755 230 E HN 0.228 nan 8.360 nan 0.000 0.447 231 V N 0.686 120.542 119.914 -0.097 0.000 2.252 231 V HA -0.329 3.717 4.120 -0.122 0.000 0.249 231 V C 2.366 178.367 176.094 -0.155 0.000 1.056 231 V CA 2.135 64.410 62.300 -0.041 0.000 1.022 231 V CB -0.939 30.904 31.823 0.034 0.000 0.641 231 V HN 0.281 nan 8.190 nan 0.000 0.445 232 S N -0.505 114.933 115.700 -0.436 0.000 2.392 232 S HA -0.307 4.090 4.470 -0.122 0.000 0.232 232 S C 2.036 176.529 174.600 -0.178 0.000 1.041 232 S CA 1.912 59.870 58.200 -0.402 0.000 1.026 232 S CB -0.369 62.440 63.200 -0.651 0.000 0.845 232 S HN 0.516 nan 8.310 nan 0.000 0.465 233 K N 1.384 121.695 120.400 -0.148 0.000 2.076 233 K HA 0.099 4.346 4.320 -0.122 0.000 0.204 233 K C 2.003 178.564 176.600 -0.064 0.000 1.051 233 K CA 0.836 57.060 56.287 -0.106 0.000 0.949 233 K CB -0.459 31.972 32.500 -0.115 0.000 0.726 233 K HN 0.377 nan 8.250 nan 0.000 0.443 234 L N 0.760 121.987 121.223 0.006 0.000 2.083 234 L HA -0.175 4.092 4.340 -0.122 0.000 0.209 234 L C 2.507 179.434 176.870 0.096 0.000 1.083 234 L CA 0.851 55.741 54.840 0.083 0.000 0.752 234 L CB -0.487 41.675 42.059 0.171 0.000 0.899 234 L HN -0.075 nan 8.230 nan 0.000 0.433 235 V N -0.612 119.345 119.914 0.072 0.000 2.270 235 V HA -0.255 3.791 4.120 -0.122 0.000 0.245 235 V C 2.562 178.736 176.094 0.133 0.000 1.043 235 V CA 2.304 64.673 62.300 0.116 0.000 1.014 235 V CB -0.653 31.219 31.823 0.081 0.000 0.645 235 V HN 0.439 nan 8.190 nan 0.000 0.447 236 T N -0.192 114.399 114.554 0.062 0.000 2.737 236 T HA -0.225 4.052 4.350 -0.122 0.000 0.269 236 T C 1.568 176.297 174.700 0.048 0.000 1.040 236 T CA 1.865 63.994 62.100 0.048 0.000 1.142 236 T CB -0.351 68.515 68.868 -0.003 0.000 0.861 236 T HN 0.488 nan 8.240 nan 0.000 0.456 237 D N 0.528 120.951 120.400 0.039 0.000 2.110 237 D HA 0.028 4.595 4.640 -0.122 0.000 0.202 237 D C 2.019 178.379 176.300 0.100 0.000 0.975 237 D CA 0.421 54.441 54.000 0.033 0.000 0.839 237 D CB -0.592 40.205 40.800 -0.007 0.000 0.996 237 D HN 0.148 nan 8.370 nan 0.000 0.464 238 L N 1.002 122.332 121.223 0.178 0.000 2.042 238 L HA -0.169 4.098 4.340 -0.122 0.000 0.210 238 L C 2.184 179.268 176.870 0.357 0.000 1.076 238 L CA 1.699 56.726 54.840 0.313 0.000 0.749 238 L CB -0.918 41.367 42.059 0.377 0.000 0.893 238 L HN -0.004 nan 8.230 nan 0.000 0.432 239 T N -0.715 114.015 114.554 0.294 0.000 2.684 239 T HA -0.254 4.022 4.350 -0.122 0.000 0.267 239 T C 1.939 176.580 174.700 -0.098 0.000 1.036 239 T CA 1.786 63.918 62.100 0.053 0.000 1.148 239 T CB -0.174 68.772 68.868 0.130 0.000 0.863 239 T HN 0.318 nan 8.240 nan 0.000 0.436 240 K N 0.630 121.025 120.400 -0.009 0.000 2.002 240 K HA -0.098 4.149 4.320 -0.122 0.000 0.209 240 K C 2.264 178.843 176.600 -0.036 0.000 1.048 240 K CA 1.152 57.422 56.287 -0.028 0.000 0.930 240 K CB -0.449 32.046 32.500 -0.009 0.000 0.714 240 K HN 0.134 nan 8.250 nan 0.000 0.438 241 V N 1.600 121.503 119.914 -0.019 0.000 2.218 241 V HA -0.342 3.705 4.120 -0.122 0.000 0.251 241 V C 2.366 178.395 176.094 -0.107 0.000 1.057 241 V CA 2.222 64.489 62.300 -0.055 0.000 1.022 241 V CB -0.836 30.941 31.823 -0.077 0.000 0.645 241 V HN 0.476 nan 8.190 nan 0.000 0.451 242 H N -0.337 118.678 119.070 -0.091 0.000 2.457 242 H HA -0.083 4.401 4.556 -0.121 0.000 0.294 242 H C 2.429 177.631 175.328 -0.210 0.000 1.064 242 H CA 1.746 57.683 56.048 -0.186 0.000 1.330 242 H CB -0.375 29.177 29.762 -0.350 0.000 1.395 242 H HN 0.476 nan 8.280 nan 0.000 0.541 243 T N 0.869 115.326 114.554 -0.163 0.000 2.720 243 T HA -0.138 4.138 4.350 -0.122 0.000 0.268 243 T C 1.884 176.600 174.700 0.026 0.000 1.037 243 T CA 1.354 63.396 62.100 -0.096 0.000 1.144 243 T CB -0.025 68.774 68.868 -0.114 0.000 0.864 243 T HN 0.506 nan 8.240 nan 0.000 0.444 244 E N -0.050 120.167 120.200 0.028 0.000 2.028 244 E HA -0.082 4.195 4.350 -0.122 0.000 0.191 244 E C 2.513 179.185 176.600 0.120 0.000 0.988 244 E CA 1.007 57.455 56.400 0.080 0.000 0.799 244 E CB -0.248 29.475 29.700 0.038 0.000 0.755 244 E HN 0.387 nan 8.360 nan 0.000 0.447 245 c N 0.359 119.025 118.600 0.111 0.000 2.422 245 c HA -0.141 4.355 4.570 -0.122 0.000 0.279 245 c C 2.730 176.930 174.090 0.184 0.000 1.305 245 c CA 0.396 56.821 56.329 0.159 0.000 1.757 245 c CB -0.727 41.942 42.510 0.265 0.000 1.962 245 c HN 0.607 nan 8.230 nan 0.000 0.499 246 c N -1.708 117.005 118.600 0.188 0.000 2.481 246 c HA -0.048 4.448 4.570 -0.122 0.000 0.275 246 c C 2.176 176.427 174.090 0.269 0.000 1.419 246 c CA 0.474 56.944 56.329 0.235 0.000 1.773 246 c CB -1.866 40.757 42.510 0.187 0.000 1.862 246 c HN 0.701 nan 8.230 nan 0.000 0.530 247 H N -0.199 118.958 119.070 0.144 0.000 2.529 247 H HA 0.205 4.686 4.556 -0.125 0.000 0.277 247 H C 1.717 177.200 175.328 0.258 0.000 1.004 247 H CA 0.677 56.830 56.048 0.175 0.000 1.167 247 H CB -0.035 29.814 29.762 0.146 0.000 1.445 247 H HN 0.494 nan 8.280 nan 0.000 0.554 248 G N 1.300 110.201 108.800 0.168 0.000 2.176 248 G HA2 -0.224 3.662 3.960 -0.122 0.000 0.253 248 G HA3 -0.224 3.662 3.960 -0.122 0.000 0.253 248 G C -0.013 174.942 174.900 0.091 0.000 0.979 248 G CA 0.266 45.430 45.100 0.107 0.000 0.641 248 G HN 0.505 nan 8.290 nan 0.000 0.530 249 D N 1.154 121.616 120.400 0.103 0.000 2.558 249 D HA 0.346 4.912 4.640 -0.122 0.000 0.221 249 D C 1.827 178.105 176.300 -0.037 0.000 1.143 249 D CA -0.168 53.813 54.000 -0.032 0.000 1.010 249 D CB 0.306 41.118 40.800 0.021 0.000 1.068 249 D HN 0.323 nan 8.370 nan 0.000 0.511 250 L N 0.474 121.656 121.223 -0.067 0.000 2.162 250 L HA -0.025 4.241 4.340 -0.122 0.000 0.205 250 L C 2.425 179.258 176.870 -0.061 0.000 1.086 250 L CA 0.334 55.141 54.840 -0.055 0.000 0.778 250 L CB -0.052 41.955 42.059 -0.087 0.000 0.928 250 L HN 0.289 nan 8.230 nan 0.000 0.446 251 L N 0.301 121.483 121.223 -0.068 0.000 2.012 251 L HA -0.209 4.058 4.340 -0.122 0.000 0.210 251 L C 2.850 179.716 176.870 -0.006 0.000 1.073 251 L CA 1.513 56.333 54.840 -0.033 0.000 0.748 251 L CB -0.751 41.311 42.059 0.006 0.000 0.891 251 L HN 0.424 nan 8.230 nan 0.000 0.431 252 E N -0.128 120.064 120.200 -0.013 0.000 2.106 252 E HA -0.230 4.047 4.350 -0.122 0.000 0.192 252 E C 2.353 178.957 176.600 0.006 0.000 0.984 252 E CA 1.439 57.845 56.400 0.011 0.000 0.806 252 E CB -1.102 28.595 29.700 -0.006 0.000 0.750 252 E HN 0.528 nan 8.360 nan 0.000 0.458 253 c N 1.897 120.495 118.600 -0.003 0.000 2.418 253 c HA -0.044 4.453 4.570 -0.122 0.000 0.280 253 c C 3.107 177.185 174.090 -0.020 0.000 1.223 253 c CA 2.092 58.422 56.329 0.003 0.000 1.736 253 c CB -1.139 41.388 42.510 0.028 0.000 2.056 253 c HN 0.578 nan 8.230 nan 0.000 0.459 254 A N 0.124 122.915 122.820 -0.049 0.000 1.869 254 A HA -0.278 3.968 4.320 -0.122 0.000 0.218 254 A C 2.014 179.574 177.584 -0.039 0.000 1.203 254 A CA 2.635 54.626 52.037 -0.077 0.000 0.638 254 A CB -1.294 17.658 19.000 -0.080 0.000 0.831 254 A HN 0.732 nan 8.150 nan 0.000 0.450 255 D N -0.197 120.196 120.400 -0.012 0.000 2.126 255 D HA -0.177 4.390 4.640 -0.122 0.000 0.190 255 D C 1.427 177.738 176.300 0.018 0.000 1.001 255 D CA 1.757 55.763 54.000 0.009 0.000 0.841 255 D CB -0.375 40.448 40.800 0.037 0.000 0.949 255 D HN 0.400 nan 8.370 nan 0.000 0.446 256 D N -0.376 120.037 120.400 0.022 0.000 2.144 256 D HA -0.133 4.433 4.640 -0.122 0.000 0.199 256 D C 2.110 178.427 176.300 0.029 0.000 0.984 256 D CA 0.478 54.493 54.000 0.025 0.000 0.834 256 D CB -0.270 40.541 40.800 0.018 0.000 0.955 256 D HN 0.261 nan 8.370 nan 0.000 0.465 257 R N 0.590 121.102 120.500 0.020 0.000 2.081 257 R HA -0.115 4.151 4.340 -0.122 0.000 0.235 257 R C 2.086 178.408 176.300 0.038 0.000 1.131 257 R CA 1.479 57.600 56.100 0.036 0.000 0.960 257 R CB -0.138 30.165 30.300 0.005 0.000 0.856 257 R HN 0.113 nan 8.270 nan 0.000 0.436 258 A N 1.094 123.924 122.820 0.018 0.000 1.933 258 A HA -0.179 4.068 4.320 -0.122 0.000 0.218 258 A C 1.601 179.210 177.584 0.041 0.000 1.175 258 A CA 1.868 53.918 52.037 0.022 0.000 0.628 258 A CB -0.448 18.556 19.000 0.006 0.000 0.814 258 A HN 0.382 nan 8.150 nan 0.000 0.444 259 D N -0.429 119.998 120.400 0.045 0.000 2.144 259 D HA -0.120 4.447 4.640 -0.122 0.000 0.199 259 D C 1.826 178.182 176.300 0.094 0.000 0.984 259 D CA 1.177 55.214 54.000 0.061 0.000 0.834 259 D CB -0.439 40.389 40.800 0.047 0.000 0.955 259 D HN 0.356 nan 8.370 nan 0.000 0.465 260 L N 0.993 122.268 121.223 0.088 0.000 2.046 260 L HA -0.102 4.164 4.340 -0.122 0.000 0.208 260 L C 2.103 179.067 176.870 0.157 0.000 1.077 260 L CA 1.764 56.680 54.840 0.127 0.000 0.747 260 L CB -0.835 41.292 42.059 0.113 0.000 0.896 260 L HN -0.021 nan 8.230 nan 0.000 0.432 261 A N -0.187 122.698 122.820 0.108 0.000 1.841 261 A HA -0.308 3.938 4.320 -0.122 0.000 0.216 261 A C 2.439 180.065 177.584 0.070 0.000 1.199 261 A CA 2.234 54.321 52.037 0.083 0.000 0.621 261 A CB -0.887 18.146 19.000 0.056 0.000 0.835 261 A HN 0.529 nan 8.150 nan 0.000 0.445 262 K N -1.679 118.763 120.400 0.069 0.000 2.077 262 K HA -0.292 3.955 4.320 -0.122 0.000 0.213 262 K C 1.947 178.588 176.600 0.068 0.000 1.051 262 K CA 2.383 58.705 56.287 0.058 0.000 0.929 262 K CB -0.511 32.027 32.500 0.063 0.000 0.715 262 K HN 0.561 nan 8.250 nan 0.000 0.451 263 Y N 1.245 121.545 120.300 -0.000 0.000 2.114 263 Y HA -0.184 4.292 4.550 -0.124 0.000 0.284 263 Y C 2.032 177.918 175.900 -0.023 0.000 1.143 263 Y CA 1.879 59.974 58.100 -0.008 0.000 1.135 263 Y CB -0.308 38.150 38.460 -0.003 0.000 0.980 263 Y HN 0.045 nan 8.280 nan 0.000 0.499 264 I N -0.722 119.841 120.570 -0.011 0.000 2.194 264 I HA -0.431 3.666 4.170 -0.122 0.000 0.246 264 I C 2.382 178.378 176.117 -0.203 0.000 1.093 264 I CA 1.541 62.763 61.300 -0.130 0.000 1.355 264 I CB -0.546 37.459 38.000 0.007 0.000 1.046 264 I HN 0.385 nan 8.210 nan 0.000 0.413 265 c N 0.163 118.691 118.600 -0.119 0.000 2.450 265 c HA -0.081 4.416 4.570 -0.122 0.000 0.279 265 c C 2.566 176.574 174.090 -0.137 0.000 1.335 265 c CA 0.358 56.624 56.329 -0.104 0.000 1.749 265 c CB -0.985 41.496 42.510 -0.048 0.000 1.963 265 c HN 0.480 nan 8.230 nan 0.000 0.501 266 E N 1.152 121.252 120.200 -0.167 0.000 2.153 266 E HA -0.135 4.141 4.350 -0.122 0.000 0.194 266 E C 0.413 176.881 176.600 -0.221 0.000 0.988 266 E CA 1.009 57.311 56.400 -0.164 0.000 0.811 266 E CB -0.067 29.552 29.700 -0.136 0.000 0.746 266 E HN 0.654 nan 8.360 nan 0.000 0.466 267 N N 0.079 118.566 118.700 -0.355 0.000 2.467 267 N HA 0.090 4.757 4.740 -0.122 0.000 0.278 267 N C 0.129 175.471 175.510 -0.280 0.000 1.306 267 N CA -0.057 52.784 53.050 -0.347 0.000 0.905 267 N CB 0.661 38.817 38.487 -0.552 0.000 1.236 267 N HN 0.077 nan 8.380 nan 0.000 0.509 268 Q N 0.300 119.972 119.800 -0.212 0.000 2.077 268 Q HA -0.224 4.043 4.340 -0.122 0.000 0.206 268 Q C 0.497 176.407 176.000 -0.151 0.000 0.989 268 Q CA 2.051 57.747 55.803 -0.178 0.000 0.853 268 Q CB -0.115 28.552 28.738 -0.118 0.000 0.907 268 Q HN 0.495 nan 8.270 nan 0.000 0.418 269 D N -0.255 120.076 120.400 -0.116 0.000 2.190 269 D HA -0.129 4.438 4.640 -0.122 0.000 0.200 269 D C 1.388 177.640 176.300 -0.081 0.000 0.992 269 D CA 1.355 55.307 54.000 -0.082 0.000 0.854 269 D CB -0.048 40.714 40.800 -0.062 0.000 0.936 269 D HN 0.045 nan 8.370 nan 0.000 0.462 270 S N -0.918 114.717 115.700 -0.108 0.000 2.593 270 S HA 0.225 4.621 4.470 -0.122 0.000 0.217 270 S C 1.453 175.984 174.600 -0.116 0.000 0.966 270 S CA 0.082 58.229 58.200 -0.088 0.000 0.914 270 S CB 0.368 63.519 63.200 -0.081 0.000 0.776 270 S HN 0.274 nan 8.310 nan 0.000 0.523 271 I N -1.434 119.020 120.570 -0.193 0.000 3.746 271 I HA 0.239 4.336 4.170 -0.122 0.000 0.262 271 I C 0.748 176.655 176.117 -0.351 0.000 1.153 271 I CA 0.145 61.231 61.300 -0.356 0.000 1.395 271 I CB 0.736 38.402 38.000 -0.555 0.000 1.589 271 I HN 0.118 nan 8.210 nan 0.000 0.441 272 S N -0.956 114.597 115.700 -0.245 0.000 2.703 272 S HA 0.348 4.744 4.470 -0.122 0.000 0.273 272 S C -0.140 174.437 174.600 -0.037 0.000 1.178 272 S CA 0.174 58.329 58.200 -0.075 0.000 0.838 272 S CB 1.371 64.567 63.200 -0.006 0.000 1.178 272 S HN 0.210 nan 8.310 nan 0.000 0.494 273 S N 0.122 115.832 115.700 0.017 0.000 2.666 273 S HA 0.331 4.728 4.470 -0.122 0.000 0.239 273 S C 0.609 175.222 174.600 0.022 0.000 1.031 273 S CA -0.455 57.750 58.200 0.008 0.000 1.015 273 S CB 0.053 63.259 63.200 0.010 0.000 0.981 273 S HN 0.504 nan 8.310 nan 0.000 0.547 274 K N 1.311 121.741 120.400 0.050 0.000 2.444 274 K HA 0.344 4.591 4.320 -0.122 0.000 0.193 274 K C 1.179 177.807 176.600 0.047 0.000 1.024 274 K CA 0.156 56.476 56.287 0.054 0.000 1.077 274 K CB -0.123 32.425 32.500 0.078 0.000 0.833 274 K HN 0.439 nan 8.250 nan 0.000 0.517 275 L N 1.066 122.309 121.223 0.032 0.000 2.202 275 L HA -0.090 4.177 4.340 -0.122 0.000 0.205 275 L C 2.231 179.105 176.870 0.007 0.000 1.083 275 L CA 0.643 55.495 54.840 0.020 0.000 0.790 275 L CB -0.434 41.618 42.059 -0.012 0.000 0.942 275 L HN 0.124 nan 8.230 nan 0.000 0.452 276 K N 0.719 121.118 120.400 -0.002 0.000 2.128 276 K HA -0.352 3.895 4.320 -0.122 0.000 0.220 276 K C 1.627 178.231 176.600 0.006 0.000 1.049 276 K CA 2.531 58.816 56.287 -0.003 0.000 0.948 276 K CB -0.738 31.761 32.500 -0.002 0.000 0.742 276 K HN 0.386 nan 8.250 nan 0.000 0.465 277 E N 0.212 120.421 120.200 0.014 0.000 2.107 277 E HA -0.090 4.186 4.350 -0.122 0.000 0.191 277 E C 2.327 178.942 176.600 0.024 0.000 0.982 277 E CA 1.241 57.653 56.400 0.020 0.000 0.809 277 E CB -0.144 29.570 29.700 0.024 0.000 0.756 277 E HN 0.457 nan 8.360 nan 0.000 0.459 278 c N 0.317 118.931 118.600 0.024 0.000 2.425 278 c HA -0.143 4.353 4.570 -0.122 0.000 0.277 278 c C 2.728 176.832 174.090 0.023 0.000 1.280 278 c CA 0.333 56.678 56.329 0.026 0.000 1.744 278 c CB -0.739 41.785 42.510 0.023 0.000 1.989 278 c HN 0.573 nan 8.230 nan 0.000 0.491 279 c N 0.425 119.033 118.600 0.013 0.000 2.500 279 c HA -0.006 4.491 4.570 -0.122 0.000 0.273 279 c C 2.204 176.300 174.090 0.010 0.000 1.428 279 c CA 0.469 56.802 56.329 0.007 0.000 1.766 279 c CB -1.532 40.972 42.510 -0.009 0.000 1.817 279 c HN 0.637 nan 8.230 nan 0.000 0.543 280 E N 0.659 120.867 120.200 0.014 0.000 2.435 280 E HA 0.004 4.280 4.350 -0.122 0.000 0.195 280 E C 0.763 177.378 176.600 0.026 0.000 1.029 280 E CA 0.341 56.751 56.400 0.017 0.000 0.865 280 E CB 0.228 29.938 29.700 0.016 0.000 0.833 280 E HN 0.617 nan 8.360 nan 0.000 0.510 281 K N 1.586 122.007 120.400 0.034 0.000 2.149 281 K HA 0.165 4.412 4.320 -0.122 0.000 0.245 281 K C -2.319 174.309 176.600 0.047 0.000 1.024 281 K CA -1.492 54.824 56.287 0.049 0.000 0.899 281 K CB -0.043 32.497 32.500 0.066 0.000 1.038 281 K HN -0.141 nan 8.250 nan 0.000 0.496 282 P HA -0.034 nan 4.420 nan 0.000 0.273 282 P C 0.699 178.034 177.300 0.058 0.000 1.250 282 P CA -0.416 62.715 63.100 0.052 0.000 0.793 282 P CB 0.416 32.150 31.700 0.056 0.000 1.011 283 L N 1.281 122.531 121.223 0.045 0.000 1.989 283 L HA -0.180 4.087 4.340 -0.122 0.000 0.211 283 L C 1.989 178.890 176.870 0.050 0.000 1.071 283 L CA 1.931 56.793 54.840 0.037 0.000 0.749 283 L CB -1.461 40.611 42.059 0.022 0.000 0.890 283 L HN 0.320 nan 8.230 nan 0.000 0.431 284 L N -0.909 120.359 121.223 0.074 0.000 2.027 284 L HA -0.200 4.066 4.340 -0.122 0.000 0.206 284 L C 2.469 179.443 176.870 0.174 0.000 1.074 284 L CA 1.359 56.268 54.840 0.115 0.000 0.745 284 L CB -0.482 41.660 42.059 0.139 0.000 0.898 284 L HN 0.227 nan 8.230 nan 0.000 0.433 285 E N -0.153 120.193 120.200 0.243 0.000 2.153 285 E HA -0.268 4.009 4.350 -0.122 0.000 0.194 285 E C 1.996 178.629 176.600 0.056 0.000 0.988 285 E CA 1.043 57.580 56.400 0.229 0.000 0.811 285 E CB -0.128 29.741 29.700 0.281 0.000 0.746 285 E HN 0.255 nan 8.360 nan 0.000 0.466 286 K N 0.257 120.691 120.400 0.056 0.000 2.074 286 K HA -0.181 4.066 4.320 -0.122 0.000 0.209 286 K C 2.079 178.686 176.600 0.011 0.000 1.048 286 K CA 1.816 58.122 56.287 0.032 0.000 0.926 286 K CB -0.153 32.367 32.500 0.033 0.000 0.713 286 K HN -0.016 nan 8.250 nan 0.000 0.444 287 S N -0.840 114.860 115.700 -0.000 0.000 2.348 287 S HA -0.111 4.286 4.470 -0.122 0.000 0.219 287 S C 1.673 176.254 174.600 -0.031 0.000 1.033 287 S CA 1.062 59.265 58.200 0.005 0.000 0.974 287 S CB -0.488 62.720 63.200 0.014 0.000 0.868 287 S HN 0.548 nan 8.310 nan 0.000 0.459 288 H N 0.758 119.675 119.070 -0.254 0.000 2.321 288 H HA -0.167 4.311 4.556 -0.130 0.000 0.295 288 H C 2.458 177.645 175.328 -0.234 0.000 1.102 288 H CA 2.063 57.876 56.048 -0.393 0.000 1.266 288 H CB -0.958 28.163 29.762 -1.069 0.000 1.363 288 H HN 0.422 nan 8.280 nan 0.000 0.492 289 c N -0.020 118.452 118.600 -0.213 0.000 2.376 289 c HA -0.194 4.302 4.570 -0.122 0.000 0.275 289 c C 2.896 176.914 174.090 -0.120 0.000 1.200 289 c CA 1.502 57.741 56.329 -0.149 0.000 1.756 289 c CB -1.467 41.031 42.510 -0.020 0.000 2.050 289 c HN 0.709 nan 8.230 nan 0.000 0.460 290 I N 1.304 121.844 120.570 -0.050 0.000 2.208 290 I HA -0.208 3.888 4.170 -0.122 0.000 0.245 290 I C 2.790 178.912 176.117 0.008 0.000 1.097 290 I CA 1.814 63.128 61.300 0.022 0.000 1.363 290 I CB -0.534 37.510 38.000 0.074 0.000 1.051 290 I HN 0.439 nan 8.210 nan 0.000 0.413 291 A N -0.185 122.608 122.820 -0.045 0.000 2.015 291 A HA -0.129 4.117 4.320 -0.122 0.000 0.219 291 A C 1.495 179.016 177.584 -0.104 0.000 1.163 291 A CA 1.256 53.266 52.037 -0.045 0.000 0.646 291 A CB -0.360 18.631 19.000 -0.016 0.000 0.806 291 A HN 0.481 nan 8.150 nan 0.000 0.448 292 E N -0.257 119.830 120.200 -0.188 0.000 3.269 292 E HA 0.354 4.630 4.350 -0.122 0.000 0.221 292 E C -1.222 175.320 176.600 -0.096 0.000 1.113 292 E CA -0.238 56.065 56.400 -0.161 0.000 1.385 292 E CB 0.859 30.402 29.700 -0.262 0.000 1.345 292 E HN 0.183 nan 8.360 nan 0.000 0.435 293 V N 1.598 121.479 119.914 -0.056 0.000 2.715 293 V HA 0.196 4.243 4.120 -0.122 0.000 0.310 293 V C -0.190 175.892 176.094 -0.021 0.000 1.054 293 V CA -0.779 61.511 62.300 -0.017 0.000 0.928 293 V CB 1.831 33.669 31.823 0.026 0.000 1.007 293 V HN 0.443 nan 8.190 nan 0.000 0.437 294 E N 4.821 125.018 120.200 -0.004 0.000 2.408 294 E HA 0.156 4.433 4.350 -0.122 0.000 0.259 294 E C -0.372 176.219 176.600 -0.014 0.000 1.110 294 E CA -0.571 55.823 56.400 -0.011 0.000 0.929 294 E CB 0.347 30.050 29.700 0.005 0.000 0.971 294 E HN 0.655 nan 8.360 nan 0.000 0.438 295 N N 1.547 120.227 118.700 -0.034 0.000 2.416 295 N HA -0.008 4.659 4.740 -0.122 0.000 0.246 295 N C -0.509 175.006 175.510 0.008 0.000 1.260 295 N CA -0.031 52.994 53.050 -0.042 0.000 0.897 295 N CB 0.394 38.845 38.487 -0.060 0.000 1.110 295 N HN 0.551 nan 8.380 nan 0.000 0.439 296 D N 0.413 120.838 120.400 0.042 0.000 2.354 296 D HA 0.049 4.616 4.640 -0.122 0.000 0.247 296 D C -0.314 176.000 176.300 0.023 0.000 1.138 296 D CA -0.183 53.855 54.000 0.064 0.000 0.958 296 D CB 0.651 41.528 40.800 0.128 0.000 1.144 296 D HN 0.179 nan 8.370 nan 0.000 0.458 297 E N 1.153 121.363 120.200 0.017 0.000 2.414 297 E HA -0.031 4.245 4.350 -0.122 0.000 0.263 297 E C 0.094 176.687 176.600 -0.011 0.000 1.000 297 E CA 0.144 56.542 56.400 -0.003 0.000 0.914 297 E CB 0.366 30.065 29.700 -0.002 0.000 0.948 297 E HN 0.475 nan 8.360 nan 0.000 0.444 298 M N 4.358 123.937 119.600 -0.035 0.000 2.217 298 M HA 0.122 4.528 4.480 -0.122 0.000 0.352 298 M C -2.110 174.162 176.300 -0.047 0.000 1.376 298 M CA -1.439 53.828 55.300 -0.056 0.000 1.107 298 M CB 0.476 33.019 32.600 -0.094 0.000 1.723 298 M HN -0.017 nan 8.290 nan 0.000 0.461 299 P HA -0.070 nan 4.420 nan 0.000 0.255 299 P C -0.014 177.261 177.300 -0.041 0.000 1.161 299 P CA 0.245 63.328 63.100 -0.029 0.000 0.768 299 P CB 0.340 32.027 31.700 -0.022 0.000 0.746 300 A N 4.116 126.916 122.820 -0.032 0.000 1.894 300 A HA -0.234 4.013 4.320 -0.122 0.000 0.220 300 A C 1.182 178.742 177.584 -0.040 0.000 1.237 300 A CA 1.698 53.714 52.037 -0.034 0.000 0.660 300 A CB -0.821 18.165 19.000 -0.024 0.000 0.835 300 A HN 0.565 nan 8.150 nan 0.000 0.461 301 D N -0.376 120.004 120.400 -0.033 0.000 2.249 301 D HA 0.527 5.094 4.640 -0.122 0.000 0.246 301 D C -1.123 175.152 176.300 -0.042 0.000 1.114 301 D CA -0.099 53.880 54.000 -0.035 0.000 0.854 301 D CB 0.671 41.457 40.800 -0.024 0.000 1.132 301 D HN 0.239 nan 8.370 nan 0.000 0.461 302 L N 4.585 125.775 121.223 -0.056 0.000 2.431 302 L HA 0.405 4.672 4.340 -0.122 0.000 0.266 302 L C -1.988 174.848 176.870 -0.057 0.000 0.978 302 L CA -1.660 53.142 54.840 -0.062 0.000 0.822 302 L CB 2.392 44.392 42.059 -0.099 0.000 1.310 302 L HN 0.350 nan 8.230 nan 0.000 0.409 303 P HA 0.074 nan 4.420 nan 0.000 0.272 303 P C -0.373 176.899 177.300 -0.047 0.000 1.240 303 P CA -0.364 62.713 63.100 -0.039 0.000 0.791 303 P CB 0.952 32.635 31.700 -0.028 0.000 0.978 304 S N 0.249 115.923 115.700 -0.043 0.000 2.560 304 S HA 0.040 4.437 4.470 -0.122 0.000 0.284 304 S C 1.635 176.228 174.600 -0.012 0.000 1.327 304 S CA -0.502 57.672 58.200 -0.043 0.000 1.055 304 S CB -0.355 62.814 63.200 -0.052 0.000 0.868 304 S HN 0.348 nan 8.310 nan 0.000 0.506 305 L N 4.669 125.904 121.223 0.020 0.000 1.997 305 L HA -0.208 4.059 4.340 -0.122 0.000 0.216 305 L C 2.950 179.948 176.870 0.213 0.000 1.074 305 L CA 2.049 56.994 54.840 0.176 0.000 0.763 305 L CB -1.064 41.166 42.059 0.286 0.000 0.890 305 L HN 0.901 nan 8.230 nan 0.000 0.434 306 A N -0.267 122.529 122.820 -0.042 0.000 1.948 306 A HA -0.265 3.982 4.320 -0.122 0.000 0.220 306 A C 2.516 180.107 177.584 0.012 0.000 1.177 306 A CA 2.066 54.002 52.037 -0.169 0.000 0.636 306 A CB -0.891 17.884 19.000 -0.376 0.000 0.815 306 A HN 0.470 nan 8.150 nan 0.000 0.449 307 A N 0.165 122.978 122.820 -0.011 0.000 1.852 307 A HA -0.290 3.956 4.320 -0.122 0.000 0.217 307 A C 1.853 179.422 177.584 -0.025 0.000 1.215 307 A CA 1.983 54.012 52.037 -0.013 0.000 0.641 307 A CB -0.899 18.082 19.000 -0.033 0.000 0.838 307 A HN 0.537 nan 8.150 nan 0.000 0.450 308 D N -1.683 118.623 120.400 -0.158 0.000 2.219 308 D HA -0.068 4.499 4.640 -0.122 0.000 0.205 308 D C 0.806 176.853 176.300 -0.422 0.000 0.970 308 D CA 1.162 54.911 54.000 -0.419 0.000 0.851 308 D CB -0.107 40.182 40.800 -0.850 0.000 0.943 308 D HN 0.494 nan 8.370 nan 0.000 0.488 309 F N -0.873 119.235 119.950 0.263 0.000 2.706 309 F HA 0.138 4.592 4.527 -0.120 0.000 0.313 309 F C 1.411 177.478 175.800 0.446 0.000 1.096 309 F CA -0.145 58.098 58.000 0.405 0.000 1.219 309 F CB 0.697 39.919 39.000 0.371 0.000 1.051 309 F HN -0.233 nan 8.300 nan 0.000 0.568 310 V N -1.734 118.431 119.914 0.418 0.000 3.570 310 V HA 0.036 4.082 4.120 -0.122 0.000 0.193 310 V C 1.485 177.812 176.094 0.388 0.000 1.386 310 V CA 0.118 62.656 62.300 0.397 0.000 1.285 310 V CB 0.157 32.151 31.823 0.284 0.000 1.237 310 V HN -0.049 nan 8.190 nan 0.000 0.553 311 E N 0.909 121.250 120.200 0.235 0.000 2.371 311 E HA 0.072 4.348 4.350 -0.122 0.000 0.194 311 E C 1.084 177.803 176.600 0.198 0.000 1.012 311 E CA 0.487 56.997 56.400 0.183 0.000 0.860 311 E CB 0.301 30.041 29.700 0.067 0.000 0.811 311 E HN 0.410 nan 8.360 nan 0.000 0.502 312 S N 0.745 116.573 115.700 0.214 0.000 2.584 312 S HA 0.079 4.476 4.470 -0.122 0.000 0.270 312 S C -0.030 174.830 174.600 0.434 0.000 1.346 312 S CA -0.347 57.979 58.200 0.210 0.000 1.018 312 S CB 0.508 63.785 63.200 0.129 0.000 0.899 312 S HN -0.033 nan 8.310 nan 0.000 0.542 313 K N 1.698 122.308 120.400 0.351 0.000 2.095 313 K HA 0.318 4.565 4.320 -0.122 0.000 0.252 313 K C -0.597 176.119 176.600 0.193 0.000 0.977 313 K CA -0.614 55.949 56.287 0.460 0.000 0.900 313 K CB 0.484 33.194 32.500 0.350 0.000 1.060 313 K HN 0.678 nan 8.250 nan 0.000 0.449 314 D N 0.061 120.529 120.400 0.115 0.000 2.746 314 D HA -0.148 4.419 4.640 -0.122 0.000 0.236 314 D C 0.636 176.907 176.300 -0.049 0.000 1.129 314 D CA 0.344 54.357 54.000 0.021 0.000 0.691 314 D CB -1.534 39.287 40.800 0.036 0.000 1.077 314 D HN 0.248 nan 8.370 nan 0.000 0.432 315 V N -0.915 118.947 119.914 -0.087 0.000 2.343 315 V HA -0.335 3.712 4.120 -0.122 0.000 0.247 315 V C 2.549 178.424 176.094 -0.366 0.000 1.051 315 V CA 2.038 64.208 62.300 -0.216 0.000 1.036 315 V CB -0.259 31.423 31.823 -0.235 0.000 0.654 315 V HN 0.678 nan 8.190 nan 0.000 0.451 316 c N -0.422 118.045 118.600 -0.222 0.000 2.422 316 c HA -0.146 4.350 4.570 -0.122 0.000 0.279 316 c C 2.722 176.765 174.090 -0.079 0.000 1.305 316 c CA 1.166 57.420 56.329 -0.124 0.000 1.757 316 c CB -0.986 41.494 42.510 -0.050 0.000 1.962 316 c HN 0.594 nan 8.230 nan 0.000 0.499 317 K N 1.252 121.597 120.400 -0.092 0.000 2.057 317 K HA -0.127 4.120 4.320 -0.122 0.000 0.207 317 K C 1.787 178.334 176.600 -0.087 0.000 1.049 317 K CA 1.603 57.855 56.287 -0.059 0.000 0.931 317 K CB -0.099 32.383 32.500 -0.030 0.000 0.714 317 K HN 0.402 nan 8.250 nan 0.000 0.440 318 N N -0.154 118.439 118.700 -0.178 0.000 2.142 318 N HA -0.175 4.492 4.740 -0.122 0.000 0.186 318 N C 1.561 176.927 175.510 -0.240 0.000 1.023 318 N CA 1.060 53.990 53.050 -0.200 0.000 0.852 318 N CB -0.584 37.731 38.487 -0.286 0.000 0.998 318 N HN 0.226 nan 8.380 nan 0.000 0.424 319 Y N 1.757 121.689 120.300 -0.613 0.000 2.114 319 Y HA -0.213 4.263 4.550 -0.123 0.000 0.282 319 Y C 2.264 178.089 175.900 -0.124 0.000 1.165 319 Y CA 1.674 59.563 58.100 -0.350 0.000 1.148 319 Y CB -0.636 37.612 38.460 -0.354 0.000 0.972 319 Y HN 0.090 nan 8.280 nan 0.000 0.504 320 A N 0.110 122.885 122.820 -0.074 0.000 1.835 320 A HA -0.229 4.018 4.320 -0.122 0.000 0.215 320 A C 2.120 179.652 177.584 -0.088 0.000 1.199 320 A CA 1.978 53.961 52.037 -0.090 0.000 0.615 320 A CB -0.974 18.010 19.000 -0.027 0.000 0.838 320 A HN 0.582 nan 8.150 nan 0.000 0.444 321 E N -0.868 119.303 120.200 -0.049 0.000 2.097 321 E HA 0.018 4.295 4.350 -0.122 0.000 0.196 321 E C 0.542 177.139 176.600 -0.006 0.000 1.000 321 E CA 1.010 57.399 56.400 -0.018 0.000 0.804 321 E CB -0.137 29.565 29.700 0.003 0.000 0.740 321 E HN 0.557 nan 8.360 nan 0.000 0.454 322 A N 0.549 123.371 122.820 0.003 0.000 2.839 322 A HA 0.145 4.392 4.320 -0.122 0.000 0.303 322 A C 0.561 178.181 177.584 0.059 0.000 1.181 322 A CA -0.604 51.454 52.037 0.035 0.000 0.808 322 A CB 0.404 19.454 19.000 0.084 0.000 1.391 322 A HN 0.139 nan 8.150 nan 0.000 0.433 323 K N 0.544 120.909 120.400 -0.059 0.000 2.097 323 K HA -0.132 4.115 4.320 -0.122 0.000 0.205 323 K C 0.394 177.049 176.600 0.092 0.000 1.050 323 K CA 1.767 57.986 56.287 -0.114 0.000 0.938 323 K CB -0.003 32.186 32.500 -0.518 0.000 0.718 323 K HN 0.503 nan 8.250 nan 0.000 0.442 324 D N 0.993 121.435 120.400 0.071 0.000 2.183 324 D HA -0.090 4.476 4.640 -0.122 0.000 0.203 324 D C 2.063 178.463 176.300 0.167 0.000 0.969 324 D CA 1.147 55.215 54.000 0.114 0.000 0.842 324 D CB 0.166 41.021 40.800 0.091 0.000 0.957 324 D HN 0.127 nan 8.370 nan 0.000 0.484 325 V N 0.792 120.813 119.914 0.178 0.000 2.591 325 V HA -0.159 3.887 4.120 -0.122 0.000 0.249 325 V C 2.024 178.210 176.094 0.155 0.000 1.053 325 V CA 0.825 63.242 62.300 0.196 0.000 1.068 325 V CB -0.436 31.507 31.823 0.201 0.000 0.689 325 V HN 0.043 nan 8.190 nan 0.000 0.462 326 F N 0.432 120.444 119.950 0.102 0.000 2.163 326 F HA -0.052 4.402 4.527 -0.122 0.000 0.297 326 F C 1.963 177.886 175.800 0.204 0.000 1.094 326 F CA 1.543 59.652 58.000 0.181 0.000 1.290 326 F CB -0.093 39.062 39.000 0.259 0.000 1.017 326 F HN 0.011 nan 8.300 nan 0.000 0.483 327 L N -0.550 120.809 121.223 0.227 0.000 2.156 327 L HA -0.049 4.217 4.340 -0.122 0.000 0.208 327 L C 2.703 179.602 176.870 0.049 0.000 1.095 327 L CA 1.068 55.983 54.840 0.125 0.000 0.770 327 L CB -1.350 40.830 42.059 0.201 0.000 0.914 327 L HN 0.295 nan 8.230 nan 0.000 0.439 328 G N -0.456 108.381 108.800 0.063 0.000 2.408 328 G HA2 -0.277 3.610 3.960 -0.122 0.000 0.217 328 G HA3 -0.277 3.610 3.960 -0.122 0.000 0.217 328 G C 1.627 176.456 174.900 -0.118 0.000 1.150 328 G CA 0.525 45.685 45.100 0.100 0.000 0.776 328 G HN 0.149 nan 8.290 nan 0.000 0.542 329 M N -0.609 118.739 119.600 -0.419 0.000 2.067 329 M HA 0.061 4.468 4.480 -0.122 0.000 0.260 329 M C 2.192 178.372 176.300 -0.200 0.000 1.069 329 M CA 1.415 56.448 55.300 -0.446 0.000 1.117 329 M CB -0.301 32.121 32.600 -0.297 0.000 1.334 329 M HN 0.284 nan 8.290 nan 0.000 0.407 330 F N 0.404 119.959 119.950 -0.660 0.000 2.043 330 F HA -0.323 4.130 4.527 -0.124 0.000 0.297 330 F C 1.883 177.393 175.800 -0.483 0.000 1.121 330 F CA 1.840 59.190 58.000 -1.085 0.000 1.199 330 F CB -0.586 37.691 39.000 -1.205 0.000 0.968 330 F HN 0.109 nan 8.300 nan 0.000 0.478 331 L N -0.027 121.129 121.223 -0.112 0.000 2.042 331 L HA -0.221 4.045 4.340 -0.122 0.000 0.210 331 L C 2.224 179.046 176.870 -0.080 0.000 1.076 331 L CA 2.134 56.925 54.840 -0.082 0.000 0.749 331 L CB -1.620 40.473 42.059 0.055 0.000 0.893 331 L HN 0.479 nan 8.230 nan 0.000 0.432 332 Y N 0.477 120.721 120.300 -0.093 0.000 2.089 332 Y HA -0.228 4.248 4.550 -0.124 0.000 0.282 332 Y C 2.421 178.280 175.900 -0.069 0.000 1.139 332 Y CA 2.189 60.293 58.100 0.006 0.000 1.123 332 Y CB -0.349 38.211 38.460 0.166 0.000 0.980 332 Y HN 0.265 nan 8.280 nan 0.000 0.493 333 E N -0.691 119.324 120.200 -0.309 0.000 2.085 333 E HA -0.256 4.021 4.350 -0.122 0.000 0.194 333 E C 2.118 178.488 176.600 -0.384 0.000 0.994 333 E CA 1.646 57.811 56.400 -0.391 0.000 0.801 333 E CB -0.835 28.825 29.700 -0.067 0.000 0.743 333 E HN 0.623 nan 8.360 nan 0.000 0.453 334 Y N 0.968 120.922 120.300 -0.577 0.000 2.220 334 Y HA -0.101 4.375 4.550 -0.122 0.000 0.291 334 Y C 2.347 178.063 175.900 -0.307 0.000 1.129 334 Y CA 1.213 58.999 58.100 -0.524 0.000 1.161 334 Y CB -0.358 37.515 38.460 -0.978 0.000 0.997 334 Y HN 0.013 nan 8.280 nan 0.000 0.522 335 A N 1.066 123.821 122.820 -0.108 0.000 1.873 335 A HA -0.190 4.057 4.320 -0.122 0.000 0.215 335 A C 2.331 179.823 177.584 -0.153 0.000 1.186 335 A CA 1.816 53.797 52.037 -0.094 0.000 0.616 335 A CB -0.718 18.222 19.000 -0.100 0.000 0.823 335 A HN 0.564 nan 8.150 nan 0.000 0.442 336 R N -0.448 119.899 120.500 -0.255 0.000 2.120 336 R HA -0.095 4.172 4.340 -0.122 0.000 0.234 336 R C 1.949 178.088 176.300 -0.268 0.000 1.123 336 R CA 1.618 57.559 56.100 -0.265 0.000 0.975 336 R CB -0.449 29.619 30.300 -0.387 0.000 0.866 336 R HN 0.421 nan 8.270 nan 0.000 0.446 337 R N -0.151 120.145 120.500 -0.341 0.000 2.189 337 R HA 0.040 4.306 4.340 -0.122 0.000 0.218 337 R C 0.317 176.225 176.300 -0.654 0.000 1.074 337 R CA 0.816 56.622 56.100 -0.490 0.000 0.991 337 R CB 0.084 30.019 30.300 -0.608 0.000 0.883 337 R HN 0.384 nan 8.270 nan 0.000 0.457 338 H N -0.033 118.847 119.070 -0.317 0.000 2.348 338 H HA 0.164 4.646 4.556 -0.123 0.000 0.232 338 H C -1.949 173.252 175.328 -0.212 0.000 1.419 338 H CA -1.823 54.000 56.048 -0.375 0.000 1.416 338 H CB 1.307 30.645 29.762 -0.706 0.000 1.510 338 H HN 0.088 nan 8.280 nan 0.000 0.507 339 P HA -0.066 nan 4.420 nan 0.000 0.242 339 P C 0.763 178.057 177.300 -0.010 0.000 1.197 339 P CA 0.680 63.746 63.100 -0.056 0.000 0.765 339 P CB 0.381 32.033 31.700 -0.079 0.000 0.936 340 D N -2.521 117.903 120.400 0.040 0.000 2.367 340 D HA -0.069 4.498 4.640 -0.122 0.000 0.207 340 D C 0.197 176.629 176.300 0.221 0.000 1.034 340 D CA -0.107 53.952 54.000 0.098 0.000 0.861 340 D CB -0.669 40.196 40.800 0.108 0.000 0.943 340 D HN 0.059 nan 8.370 nan 0.000 0.515 341 Y N 2.695 122.984 120.300 -0.019 0.000 2.359 341 Y HA 0.225 4.701 4.550 -0.124 0.000 0.334 341 Y C 1.277 177.107 175.900 -0.118 0.000 1.058 341 Y CA -1.843 56.212 58.100 -0.075 0.000 1.244 341 Y CB 0.853 39.257 38.460 -0.094 0.000 1.187 341 Y HN -0.093 nan 8.280 nan 0.000 0.510 342 S N 1.200 116.872 115.700 -0.047 0.000 2.566 342 S HA 0.064 4.461 4.470 -0.122 0.000 0.280 342 S C 1.085 175.563 174.600 -0.203 0.000 1.343 342 S CA -0.621 57.508 58.200 -0.118 0.000 1.036 342 S CB 0.781 63.896 63.200 -0.142 0.000 0.866 342 S HN 0.444 nan 8.310 nan 0.000 0.526 343 V N 2.424 122.168 119.914 -0.284 0.000 2.490 343 V HA -0.161 3.886 4.120 -0.122 0.000 0.250 343 V C 2.502 178.180 176.094 -0.695 0.000 1.061 343 V CA 1.747 63.752 62.300 -0.491 0.000 1.064 343 V CB -1.235 30.191 31.823 -0.662 0.000 0.670 343 V HN 0.924 nan 8.190 nan 0.000 0.461 344 V N -1.749 117.764 119.914 -0.669 0.000 2.591 344 V HA -0.107 3.940 4.120 -0.122 0.000 0.249 344 V C 2.319 178.164 176.094 -0.416 0.000 1.053 344 V CA 1.578 63.503 62.300 -0.624 0.000 1.068 344 V CB -0.677 30.872 31.823 -0.457 0.000 0.689 344 V HN 0.425 nan 8.190 nan 0.000 0.462 345 L N 0.515 121.524 121.223 -0.357 0.000 2.012 345 L HA -0.079 4.187 4.340 -0.122 0.000 0.210 345 L C 2.332 178.971 176.870 -0.386 0.000 1.073 345 L CA 2.076 56.698 54.840 -0.363 0.000 0.748 345 L CB -0.841 40.968 42.059 -0.418 0.000 0.891 345 L HN 0.313 nan 8.230 nan 0.000 0.431 346 L N -1.191 119.831 121.223 -0.335 0.000 2.079 346 L HA -0.250 4.017 4.340 -0.122 0.000 0.210 346 L C 2.478 179.137 176.870 -0.352 0.000 1.081 346 L CA 1.244 55.885 54.840 -0.332 0.000 0.752 346 L CB -0.525 41.388 42.059 -0.242 0.000 0.896 346 L HN 0.325 nan 8.230 nan 0.000 0.433 347 L N -1.076 119.931 121.223 -0.361 0.000 2.156 347 L HA -0.131 4.136 4.340 -0.122 0.000 0.208 347 L C 2.737 179.452 176.870 -0.259 0.000 1.095 347 L CA 0.975 55.637 54.840 -0.298 0.000 0.770 347 L CB -0.417 41.434 42.059 -0.347 0.000 0.914 347 L HN 0.186 nan 8.230 nan 0.000 0.439 348 R N 0.091 120.418 120.500 -0.288 0.000 2.075 348 R HA -0.075 4.191 4.340 -0.122 0.000 0.232 348 R C 2.308 178.423 176.300 -0.307 0.000 1.126 348 R CA 1.017 56.968 56.100 -0.248 0.000 0.963 348 R CB -0.343 29.819 30.300 -0.231 0.000 0.858 348 R HN 0.276 nan 8.270 nan 0.000 0.435 349 L N 0.312 121.247 121.223 -0.479 0.000 2.012 349 L HA -0.185 4.082 4.340 -0.122 0.000 0.210 349 L C 2.703 179.231 176.870 -0.571 0.000 1.073 349 L CA 1.421 55.765 54.840 -0.826 0.000 0.748 349 L CB -0.705 40.603 42.059 -1.251 0.000 0.891 349 L HN 0.260 nan 8.230 nan 0.000 0.431 350 A N 0.013 122.640 122.820 -0.322 0.000 1.972 350 A HA -0.253 3.993 4.320 -0.122 0.000 0.219 350 A C 2.304 179.782 177.584 -0.176 0.000 1.169 350 A CA 2.059 53.978 52.037 -0.197 0.000 0.635 350 A CB -0.370 18.606 19.000 -0.040 0.000 0.810 350 A HN 0.256 nan 8.150 nan 0.000 0.446 351 K N -0.326 119.989 120.400 -0.141 0.000 2.031 351 K HA -0.053 4.193 4.320 -0.122 0.000 0.205 351 K C 1.905 178.474 176.600 -0.051 0.000 1.049 351 K CA 2.122 58.364 56.287 -0.075 0.000 0.939 351 K CB -0.874 31.582 32.500 -0.072 0.000 0.717 351 K HN 0.374 nan 8.250 nan 0.000 0.438 352 T N 0.072 114.596 114.554 -0.050 0.000 2.803 352 T HA -0.175 4.101 4.350 -0.122 0.000 0.269 352 T C 1.451 176.203 174.700 0.085 0.000 1.052 352 T CA 1.557 63.683 62.100 0.044 0.000 1.136 352 T CB -0.510 68.446 68.868 0.145 0.000 0.864 352 T HN 0.297 nan 8.240 nan 0.000 0.467 353 Y N 1.575 121.809 120.300 -0.109 0.000 2.200 353 Y HA -0.052 4.425 4.550 -0.123 0.000 0.290 353 Y C 2.567 178.331 175.900 -0.227 0.000 1.137 353 Y CA 1.467 59.427 58.100 -0.233 0.000 1.163 353 Y CB -0.141 37.886 38.460 -0.721 0.000 0.988 353 Y HN 0.219 nan 8.280 nan 0.000 0.518 354 E N -0.636 119.511 120.200 -0.089 0.000 2.051 354 E HA -0.223 4.054 4.350 -0.122 0.000 0.192 354 E C 2.028 178.570 176.600 -0.098 0.000 0.991 354 E CA 2.210 58.582 56.400 -0.046 0.000 0.799 354 E CB -0.136 29.616 29.700 0.087 0.000 0.748 354 E HN 0.642 nan 8.360 nan 0.000 0.449 355 T N -1.701 112.812 114.554 -0.068 0.000 2.746 355 T HA -0.127 4.150 4.350 -0.122 0.000 0.267 355 T C 2.041 176.680 174.700 -0.101 0.000 1.039 355 T CA 1.727 63.795 62.100 -0.053 0.000 1.142 355 T CB -0.806 68.046 68.868 -0.028 0.000 0.866 355 T HN 0.028 nan 8.240 nan 0.000 0.444 356 T N 2.341 116.804 114.554 -0.151 0.000 2.708 356 T HA 0.103 4.380 4.350 -0.122 0.000 0.266 356 T C 1.931 176.486 174.700 -0.242 0.000 1.037 356 T CA 1.167 63.167 62.100 -0.167 0.000 1.146 356 T CB -0.559 68.207 68.868 -0.169 0.000 0.865 356 T HN 0.275 nan 8.240 nan 0.000 0.435 357 L N 0.889 121.834 121.223 -0.463 0.000 2.042 357 L HA -0.133 4.133 4.340 -0.122 0.000 0.210 357 L C 2.915 179.563 176.870 -0.370 0.000 1.076 357 L CA 1.294 55.770 54.840 -0.608 0.000 0.749 357 L CB -0.576 40.770 42.059 -1.188 0.000 0.893 357 L HN 0.241 nan 8.230 nan 0.000 0.432 358 E N 0.272 120.341 120.200 -0.218 0.000 2.085 358 E HA -0.278 3.999 4.350 -0.122 0.000 0.194 358 E C 2.060 178.639 176.600 -0.035 0.000 0.994 358 E CA 1.433 57.812 56.400 -0.035 0.000 0.801 358 E CB -0.098 29.618 29.700 0.027 0.000 0.743 358 E HN 0.455 nan 8.360 nan 0.000 0.453 359 K N 0.325 120.693 120.400 -0.053 0.000 2.001 359 K HA -0.096 4.151 4.320 -0.122 0.000 0.208 359 K C 2.326 178.911 176.600 -0.025 0.000 1.048 359 K CA 1.643 57.911 56.287 -0.032 0.000 0.932 359 K CB -0.260 32.219 32.500 -0.034 0.000 0.715 359 K HN 0.067 nan 8.250 nan 0.000 0.437 360 c N 0.642 119.228 118.600 -0.023 0.000 2.440 360 c HA -0.038 4.458 4.570 -0.122 0.000 0.278 360 c C 2.729 176.834 174.090 0.024 0.000 1.295 360 c CA 0.437 56.780 56.329 0.023 0.000 1.738 360 c CB -0.834 41.782 42.510 0.176 0.000 1.987 360 c HN 0.684 nan 8.230 nan 0.000 0.492 361 c N 1.128 119.730 118.600 0.003 0.000 2.430 361 c HA 0.062 4.559 4.570 -0.122 0.000 0.288 361 c C 1.940 176.035 174.090 0.008 0.000 1.448 361 c CA 0.567 56.900 56.329 0.008 0.000 1.784 361 c CB -1.979 40.526 42.510 -0.009 0.000 1.776 361 c HN 0.663 nan 8.230 nan 0.000 0.547 362 A N -0.199 122.622 122.820 0.002 0.000 3.077 362 A HA 0.555 4.801 4.320 -0.122 0.000 0.255 362 A C 1.157 178.736 177.584 -0.007 0.000 1.728 362 A CA 0.857 52.895 52.037 0.000 0.000 1.383 362 A CB -0.740 18.260 19.000 0.000 0.000 1.097 362 A HN 1.353 nan 8.150 nan 0.000 0.634 363 A N -1.496 121.318 122.820 -0.009 0.000 3.832 363 A HA 0.128 4.375 4.320 -0.122 0.000 0.206 363 A C 1.210 178.786 177.584 -0.013 0.000 1.151 363 A CA 0.889 52.921 52.037 -0.008 0.000 1.639 363 A CB -1.608 17.391 19.000 -0.001 0.000 0.878 363 A HN 2.090 nan 8.150 nan 0.000 0.774 364 A N -2.305 120.501 122.820 -0.024 0.000 1.895 364 A HA 0.542 4.789 4.320 -0.122 0.000 0.198 364 A C 0.922 178.485 177.584 -0.036 0.000 1.709 364 A CA 1.494 53.516 52.037 -0.026 0.000 1.194 364 A CB 0.617 19.601 19.000 -0.026 0.000 1.260 364 A HN 0.719 nan 8.150 nan 0.000 0.441 365 D N -2.567 117.798 120.400 -0.059 0.000 2.599 365 D HA 0.054 4.620 4.640 -0.122 0.000 0.472 365 D C -1.928 174.271 176.300 -0.168 0.000 1.161 365 D CA 0.439 54.392 54.000 -0.078 0.000 1.048 365 D CB -0.279 40.479 40.800 -0.070 0.000 1.602 365 D HN -0.012 nan 8.370 nan 0.000 0.380 366 P HA -0.277 nan 4.420 nan 0.000 0.231 366 P C 0.944 177.624 177.300 -1.033 0.000 0.982 366 P CA 2.016 64.853 63.100 -0.438 0.000 1.072 366 P CB -0.527 31.058 31.700 -0.193 0.000 0.706 367 H N -1.836 116.799 119.070 -0.725 0.000 2.554 367 H HA -0.149 4.333 4.556 -0.122 0.000 0.292 367 H C 2.030 177.082 175.328 -0.460 0.000 1.066 367 H CA 1.255 56.935 56.048 -0.613 0.000 1.206 367 H CB 0.006 29.652 29.762 -0.194 0.000 1.351 367 H HN 0.432 nan 8.280 nan 0.000 0.598 368 E N -0.871 119.130 120.200 -0.332 0.000 2.419 368 E HA -0.093 4.184 4.350 -0.122 0.000 0.197 368 E C 2.366 178.859 176.600 -0.180 0.000 0.920 368 E CA 0.606 56.897 56.400 -0.181 0.000 1.085 368 E CB -0.358 29.275 29.700 -0.111 0.000 1.084 368 E HN 0.436 nan 8.360 nan 0.000 0.490 369 c N 1.482 119.962 118.600 -0.201 0.000 2.413 369 c HA -0.104 4.392 4.570 -0.122 0.000 0.276 369 c C 2.497 176.559 174.090 -0.046 0.000 1.248 369 c CA 0.738 57.002 56.329 -0.109 0.000 1.742 369 c CB -1.864 40.595 42.510 -0.086 0.000 2.017 369 c HN 0.656 nan 8.230 nan 0.000 0.481 370 Y N 1.483 121.763 120.300 -0.033 0.000 2.470 370 Y HA 0.664 5.141 4.550 -0.122 0.000 0.302 370 Y C 1.884 177.805 175.900 0.036 0.000 1.194 370 Y CA -0.842 57.238 58.100 -0.032 0.000 1.271 370 Y CB -1.483 36.922 38.460 -0.092 0.000 1.092 370 Y HN 0.299 nan 8.280 nan 0.000 0.513 371 A N 1.551 124.438 122.820 0.112 0.000 1.897 371 A HA -0.060 4.187 4.320 -0.122 0.000 0.215 371 A C 1.805 179.458 177.584 0.115 0.000 1.181 371 A CA 0.942 53.052 52.037 0.121 0.000 0.620 371 A CB -0.289 18.730 19.000 0.032 0.000 0.821 371 A HN 0.457 nan 8.150 nan 0.000 0.443 372 K N 0.135 120.581 120.400 0.077 0.000 2.596 372 K HA 0.296 4.543 4.320 -0.122 0.000 0.211 372 K C 0.955 177.579 176.600 0.041 0.000 1.046 372 K CA -0.092 56.230 56.287 0.057 0.000 1.202 372 K CB 0.369 32.885 32.500 0.026 0.000 0.925 372 K HN 0.236 nan 8.250 nan 0.000 0.486 373 V N 0.293 120.254 119.914 0.077 0.000 2.295 373 V HA -0.236 3.811 4.120 -0.122 0.000 0.246 373 V C 1.615 177.462 176.094 -0.411 0.000 1.049 373 V CA 1.724 63.973 62.300 -0.085 0.000 1.024 373 V CB -0.456 31.397 31.823 0.050 0.000 0.648 373 V HN 0.320 nan 8.190 nan 0.000 0.447 374 F N 0.374 120.070 119.950 -0.424 0.000 2.269 374 F HA -0.142 4.313 4.527 -0.120 0.000 0.301 374 F C 2.314 177.993 175.800 -0.202 0.000 1.082 374 F CA 1.482 59.230 58.000 -0.421 0.000 1.360 374 F CB -0.632 38.350 39.000 -0.030 0.000 1.041 374 F HN 0.223 nan 8.300 nan 0.000 0.512 375 D N 0.586 121.016 120.400 0.049 0.000 2.117 375 D HA -0.176 4.391 4.640 -0.122 0.000 0.197 375 D C 1.800 178.109 176.300 0.014 0.000 0.987 375 D CA 1.198 55.227 54.000 0.048 0.000 0.829 375 D CB -0.070 40.754 40.800 0.040 0.000 0.961 375 D HN 0.384 nan 8.370 nan 0.000 0.460 376 E N -0.935 119.226 120.200 -0.065 0.000 2.333 376 E HA -0.143 4.134 4.350 -0.122 0.000 0.198 376 E C 1.653 178.334 176.600 0.134 0.000 1.007 376 E CA 0.300 56.694 56.400 -0.010 0.000 0.845 376 E CB -0.077 29.601 29.700 -0.037 0.000 0.766 376 E HN 0.357 nan 8.360 nan 0.000 0.507 377 F N 1.070 121.025 119.950 0.008 0.000 2.615 377 F HA 0.078 4.534 4.527 -0.119 0.000 0.297 377 F C 2.101 177.885 175.800 -0.027 0.000 1.124 377 F CA 0.180 58.154 58.000 -0.044 0.000 1.451 377 F CB -0.421 38.536 39.000 -0.072 0.000 1.103 377 F HN -0.121 nan 8.300 nan 0.000 0.569 378 K N 0.570 121.084 120.400 0.190 0.000 2.032 378 K HA -0.164 4.083 4.320 -0.122 0.000 0.209 378 K C -0.606 176.027 176.600 0.055 0.000 1.048 378 K CA 1.633 57.992 56.287 0.120 0.000 0.927 378 K CB -1.083 31.477 32.500 0.101 0.000 0.712 378 K HN 0.133 nan 8.250 nan 0.000 0.441 379 P HA -0.116 nan 4.420 nan 0.000 0.217 379 P C 1.113 178.398 177.300 -0.025 0.000 1.150 379 P CA 1.093 64.198 63.100 0.009 0.000 0.832 379 P CB 0.032 31.740 31.700 0.012 0.000 0.787 380 L N -1.354 119.847 121.223 -0.036 0.000 2.131 380 L HA -0.125 4.141 4.340 -0.122 0.000 0.210 380 L C 2.321 179.088 176.870 -0.171 0.000 1.092 380 L CA 1.102 55.881 54.840 -0.102 0.000 0.759 380 L CB -1.054 40.931 42.059 -0.124 0.000 0.903 380 L HN -0.133 nan 8.230 nan 0.000 0.435 381 V N -0.229 119.581 119.914 -0.173 0.000 2.358 381 V HA -0.229 3.817 4.120 -0.122 0.000 0.246 381 V C 2.299 178.292 176.094 -0.167 0.000 1.047 381 V CA 1.771 63.911 62.300 -0.267 0.000 1.035 381 V CB -0.363 31.346 31.823 -0.189 0.000 0.658 381 V HN 0.448 nan 8.190 nan 0.000 0.452 382 E N -0.541 119.609 120.200 -0.082 0.000 2.122 382 E HA -0.150 4.126 4.350 -0.122 0.000 0.190 382 E C 2.304 178.878 176.600 -0.045 0.000 0.977 382 E CA 0.544 56.918 56.400 -0.045 0.000 0.820 382 E CB -0.153 29.540 29.700 -0.012 0.000 0.770 382 E HN 0.494 nan 8.360 nan 0.000 0.462 383 E N 1.194 121.365 120.200 -0.050 0.000 2.086 383 E HA -0.200 4.077 4.350 -0.122 0.000 0.205 383 E C -0.742 175.835 176.600 -0.039 0.000 1.027 383 E CA 1.888 58.264 56.400 -0.040 0.000 0.830 383 E CB -0.836 28.837 29.700 -0.045 0.000 0.751 383 E HN 0.201 nan 8.360 nan 0.000 0.456 384 P HA -0.036 nan 4.420 nan 0.000 0.218 384 P C 1.439 178.717 177.300 -0.037 0.000 1.152 384 P CA 1.145 64.213 63.100 -0.053 0.000 0.826 384 P CB -0.146 31.498 31.700 -0.092 0.000 0.790 385 Q N -0.052 119.720 119.800 -0.048 0.000 2.030 385 Q HA -0.218 4.049 4.340 -0.122 0.000 0.204 385 Q C 2.069 178.068 176.000 -0.002 0.000 0.986 385 Q CA 1.854 57.643 55.803 -0.024 0.000 0.843 385 Q CB -0.769 27.955 28.738 -0.023 0.000 0.904 385 Q HN 0.344 nan 8.270 nan 0.000 0.420 386 N N 0.329 119.028 118.700 -0.002 0.000 2.049 386 N HA -0.240 4.427 4.740 -0.122 0.000 0.198 386 N C 1.687 177.210 175.510 0.022 0.000 1.030 386 N CA 1.354 54.410 53.050 0.010 0.000 0.870 386 N CB -0.206 38.285 38.487 0.007 0.000 1.045 386 N HN 0.104 nan 8.380 nan 0.000 0.434 387 L N 0.627 121.863 121.223 0.022 0.000 2.046 387 L HA -0.106 4.161 4.340 -0.122 0.000 0.208 387 L C 1.691 178.596 176.870 0.057 0.000 1.077 387 L CA 1.323 56.189 54.840 0.042 0.000 0.747 387 L CB -0.286 41.798 42.059 0.041 0.000 0.896 387 L HN 0.210 nan 8.230 nan 0.000 0.432 388 I N -0.146 120.448 120.570 0.041 0.000 2.142 388 I HA -0.296 3.800 4.170 -0.122 0.000 0.240 388 I C 2.485 178.628 176.117 0.044 0.000 1.078 388 I CA 1.411 62.739 61.300 0.045 0.000 1.343 388 I CB -1.464 36.552 38.000 0.026 0.000 1.046 388 I HN 0.407 nan 8.210 nan 0.000 0.405 389 K N 0.797 121.217 120.400 0.034 0.000 2.034 389 K HA -0.294 3.952 4.320 -0.122 0.000 0.214 389 K C 2.233 178.856 176.600 0.038 0.000 1.051 389 K CA 2.244 58.550 56.287 0.033 0.000 0.931 389 K CB -0.203 32.313 32.500 0.027 0.000 0.715 389 K HN 0.330 nan 8.250 nan 0.000 0.446 390 Q N 0.220 120.047 119.800 0.045 0.000 2.084 390 Q HA -0.132 4.135 4.340 -0.122 0.000 0.202 390 Q C 1.582 177.627 176.000 0.075 0.000 0.978 390 Q CA 1.659 57.495 55.803 0.055 0.000 0.844 390 Q CB 0.027 28.799 28.738 0.058 0.000 0.898 390 Q HN 0.430 nan 8.270 nan 0.000 0.426 391 N N -0.716 118.047 118.700 0.104 0.000 2.494 391 N HA -0.059 4.607 4.740 -0.122 0.000 0.182 391 N C 1.406 176.929 175.510 0.022 0.000 1.076 391 N CA 0.491 53.641 53.050 0.168 0.000 0.908 391 N CB 0.127 38.784 38.487 0.283 0.000 0.967 391 N HN 0.309 nan 8.380 nan 0.000 0.449 392 c N 0.689 119.300 118.600 0.018 0.000 2.485 392 c HA 0.030 4.527 4.570 -0.122 0.000 0.278 392 c C 2.640 176.738 174.090 0.014 0.000 1.356 392 c CA 0.043 56.380 56.329 0.012 0.000 1.747 392 c CB -0.543 41.991 42.510 0.039 0.000 2.001 392 c HN 0.491 nan 8.230 nan 0.000 0.501 393 E N 0.550 120.756 120.200 0.008 0.000 2.049 393 E HA -0.273 4.004 4.350 -0.122 0.000 0.198 393 E C 1.917 178.496 176.600 -0.035 0.000 1.007 393 E CA 1.315 57.714 56.400 -0.002 0.000 0.809 393 E CB -0.199 29.510 29.700 0.014 0.000 0.749 393 E HN 0.461 nan 8.360 nan 0.000 0.450 394 L N 0.525 121.724 121.223 -0.040 0.000 2.291 394 L HA -0.050 4.217 4.340 -0.122 0.000 0.214 394 L C 1.834 178.570 176.870 -0.224 0.000 1.120 394 L CA 1.210 56.018 54.840 -0.052 0.000 0.799 394 L CB -0.535 41.583 42.059 0.098 0.000 0.925 394 L HN 0.220 nan 8.230 nan 0.000 0.446 395 F N 0.389 119.991 119.950 -0.580 0.000 2.128 395 F HA -0.100 4.358 4.527 -0.115 0.000 0.295 395 F C 2.235 177.861 175.800 -0.289 0.000 1.100 395 F CA 1.564 59.137 58.000 -0.712 0.000 1.260 395 F CB -0.240 38.345 39.000 -0.692 0.000 1.009 395 F HN 0.120 nan 8.300 nan 0.000 0.476 396 E N 0.558 120.477 120.200 -0.469 0.000 2.268 396 E HA -0.180 4.097 4.350 -0.122 0.000 0.195 396 E C 2.008 178.418 176.600 -0.317 0.000 0.995 396 E CA 1.151 57.256 56.400 -0.491 0.000 0.836 396 E CB -0.511 29.055 29.700 -0.223 0.000 0.763 396 E HN 0.694 nan 8.360 nan 0.000 0.491 397 Q N -0.255 119.419 119.800 -0.211 0.000 2.269 397 Q HA 0.110 4.376 4.340 -0.122 0.000 0.201 397 Q C 2.072 178.012 176.000 -0.100 0.000 0.946 397 Q CA 0.555 56.286 55.803 -0.120 0.000 0.877 397 Q CB 0.271 28.972 28.738 -0.062 0.000 0.963 397 Q HN 0.244 nan 8.270 nan 0.000 0.472 398 L N -0.358 120.793 121.223 -0.120 0.000 2.575 398 L HA 0.270 4.536 4.340 -0.122 0.000 0.228 398 L C 0.828 177.680 176.870 -0.030 0.000 1.075 398 L CA 0.253 55.079 54.840 -0.023 0.000 0.867 398 L CB 0.195 42.310 42.059 0.092 0.000 1.097 398 L HN 0.286 nan 8.230 nan 0.000 0.485 399 G N 0.867 109.546 108.800 -0.202 0.000 2.819 399 G HA2 -0.286 3.600 3.960 -0.122 0.000 0.682 399 G HA3 -0.286 3.600 3.960 -0.122 0.000 0.682 399 G C 0.355 175.334 174.900 0.133 0.000 1.481 399 G CA 0.187 45.192 45.100 -0.159 0.000 0.904 399 G HN 0.286 nan 8.290 nan 0.000 0.563 400 E N -0.579 119.805 120.200 0.307 0.000 2.085 400 E HA -0.210 4.067 4.350 -0.122 0.000 0.194 400 E C 2.012 178.857 176.600 0.409 0.000 0.994 400 E CA 1.973 58.684 56.400 0.519 0.000 0.801 400 E CB -0.125 29.831 29.700 0.426 0.000 0.743 400 E HN 0.638 nan 8.360 nan 0.000 0.453 401 Y N 1.475 121.889 120.300 0.189 0.000 2.133 401 Y HA -0.163 4.312 4.550 -0.124 0.000 0.287 401 Y C 1.937 177.922 175.900 0.143 0.000 1.134 401 Y CA 1.849 60.031 58.100 0.137 0.000 1.133 401 Y CB -0.051 38.464 38.460 0.091 0.000 0.987 401 Y HN -0.124 nan 8.280 nan 0.000 0.502 402 K N -0.936 119.497 120.400 0.055 0.000 2.147 402 K HA -0.187 4.059 4.320 -0.122 0.000 0.205 402 K C 1.999 178.647 176.600 0.079 0.000 1.049 402 K CA 1.473 57.740 56.287 -0.034 0.000 0.936 402 K CB -0.531 32.015 32.500 0.076 0.000 0.722 402 K HN 0.301 nan 8.250 nan 0.000 0.446 403 F N 2.815 122.783 119.950 0.030 0.000 2.134 403 F HA -0.172 4.281 4.527 -0.124 0.000 0.299 403 F C 2.129 177.950 175.800 0.036 0.000 1.097 403 F CA 1.438 59.486 58.000 0.079 0.000 1.264 403 F CB -0.325 38.805 39.000 0.216 0.000 1.001 403 F HN 0.023 nan 8.300 nan 0.000 0.479 404 Q N 0.065 119.836 119.800 -0.049 0.000 2.030 404 Q HA -0.243 4.024 4.340 -0.122 0.000 0.204 404 Q C 2.004 177.892 176.000 -0.187 0.000 0.986 404 Q CA 1.741 57.439 55.803 -0.174 0.000 0.843 404 Q CB -0.443 28.252 28.738 -0.071 0.000 0.904 404 Q HN 0.443 nan 8.270 nan 0.000 0.420 405 N N 0.659 119.240 118.700 -0.199 0.000 2.094 405 N HA -0.193 4.474 4.740 -0.122 0.000 0.191 405 N C 1.696 177.146 175.510 -0.100 0.000 1.023 405 N CA 1.507 54.454 53.050 -0.173 0.000 0.857 405 N CB -0.368 37.979 38.487 -0.233 0.000 1.013 405 N HN 0.261 nan 8.380 nan 0.000 0.426 406 A N 1.463 124.236 122.820 -0.079 0.000 1.898 406 A HA -0.028 4.218 4.320 -0.122 0.000 0.216 406 A C 2.455 179.995 177.584 -0.073 0.000 1.181 406 A CA 0.842 52.857 52.037 -0.037 0.000 0.620 406 A CB -0.662 18.367 19.000 0.049 0.000 0.819 406 A HN 0.186 nan 8.150 nan 0.000 0.442 407 L N -0.705 120.408 121.223 -0.183 0.000 2.056 407 L HA -0.163 4.104 4.340 -0.122 0.000 0.207 407 L C 2.579 179.450 176.870 0.002 0.000 1.078 407 L CA 0.870 55.639 54.840 -0.118 0.000 0.749 407 L CB -0.669 41.206 42.059 -0.307 0.000 0.901 407 L HN 0.370 nan 8.230 nan 0.000 0.433 408 L N -0.652 120.533 121.223 -0.062 0.000 1.963 408 L HA -0.290 3.977 4.340 -0.122 0.000 0.220 408 L C 2.615 179.488 176.870 0.007 0.000 1.076 408 L CA 1.494 56.318 54.840 -0.027 0.000 0.772 408 L CB -0.729 41.300 42.059 -0.051 0.000 0.892 408 L HN 0.030 nan 8.230 nan 0.000 0.435 409 V N -0.256 119.652 119.914 -0.010 0.000 2.250 409 V HA -0.411 3.636 4.120 -0.122 0.000 0.253 409 V C 2.705 178.795 176.094 -0.007 0.000 1.065 409 V CA 2.423 64.720 62.300 -0.004 0.000 1.039 409 V CB -0.725 31.095 31.823 -0.004 0.000 0.647 409 V HN 0.482 nan 8.190 nan 0.000 0.446 410 R N -1.306 119.192 120.500 -0.003 0.000 2.082 410 R HA -0.213 4.054 4.340 -0.122 0.000 0.234 410 R C 2.323 178.562 176.300 -0.102 0.000 1.136 410 R CA 2.374 58.447 56.100 -0.045 0.000 0.935 410 R CB -0.444 29.839 30.300 -0.027 0.000 0.842 410 R HN 0.551 nan 8.270 nan 0.000 0.430 411 Y N 0.229 120.479 120.300 -0.083 0.000 2.373 411 Y HA -0.069 4.413 4.550 -0.113 0.000 0.293 411 Y C 2.493 178.340 175.900 -0.088 0.000 1.129 411 Y CA 1.671 59.718 58.100 -0.089 0.000 1.226 411 Y CB 0.047 38.430 38.460 -0.129 0.000 1.000 411 Y HN 0.165 nan 8.280 nan 0.000 0.549 412 T N -0.618 113.953 114.554 0.030 0.000 2.904 412 T HA -0.114 4.163 4.350 -0.122 0.000 0.267 412 T C 1.751 176.393 174.700 -0.095 0.000 1.059 412 T CA 1.177 63.256 62.100 -0.035 0.000 1.137 412 T CB -0.045 68.807 68.868 -0.027 0.000 0.879 412 T HN 0.258 nan 8.240 nan 0.000 0.467 413 K N 0.964 121.317 120.400 -0.077 0.000 2.031 413 K HA 0.009 4.256 4.320 -0.122 0.000 0.205 413 K C 2.365 178.896 176.600 -0.116 0.000 1.049 413 K CA 0.918 57.153 56.287 -0.088 0.000 0.939 413 K CB -0.081 32.387 32.500 -0.053 0.000 0.717 413 K HN 0.056 nan 8.250 nan 0.000 0.438 414 K N 0.809 121.132 120.400 -0.129 0.000 2.000 414 K HA -0.152 4.094 4.320 -0.122 0.000 0.218 414 K C 0.660 177.201 176.600 -0.098 0.000 1.053 414 K CA 1.699 57.901 56.287 -0.143 0.000 0.946 414 K CB 0.094 32.433 32.500 -0.269 0.000 0.723 414 K HN 0.135 nan 8.250 nan 0.000 0.446 415 V N -2.475 117.391 119.914 -0.080 0.000 2.384 415 V HA 0.369 4.415 4.120 -0.122 0.000 0.257 415 V C -2.548 173.466 176.094 -0.134 0.000 0.969 415 V CA -1.413 60.848 62.300 -0.066 0.000 0.910 415 V CB 1.120 32.963 31.823 0.033 0.000 1.150 415 V HN 0.046 nan 8.190 nan 0.000 0.481 416 P HA 0.043 nan 4.420 nan 0.000 0.237 416 P C 1.182 178.258 177.300 -0.374 0.000 1.178 416 P CA 0.814 63.620 63.100 -0.490 0.000 0.766 416 P CB 0.315 31.313 31.700 -1.170 0.000 0.876 417 Q N -0.839 118.848 119.800 -0.188 0.000 2.311 417 Q HA 0.018 4.284 4.340 -0.122 0.000 0.203 417 Q C 0.635 176.652 176.000 0.028 0.000 0.954 417 Q CA 0.420 56.216 55.803 -0.012 0.000 0.885 417 Q CB -0.704 28.071 28.738 0.062 0.000 0.963 417 Q HN 0.092 nan 8.270 nan 0.000 0.471 418 V N 1.800 121.726 119.914 0.021 0.000 2.655 418 V HA -0.025 4.021 4.120 -0.122 0.000 0.300 418 V C 0.550 176.665 176.094 0.034 0.000 1.044 418 V CA -0.257 62.087 62.300 0.074 0.000 1.095 418 V CB 1.060 32.920 31.823 0.062 0.000 0.952 418 V HN 0.316 nan 8.190 nan 0.000 0.485 419 S N 4.120 119.846 115.700 0.042 0.000 2.599 419 S HA -0.077 4.319 4.470 -0.122 0.000 0.303 419 S C 1.435 176.038 174.600 0.005 0.000 1.267 419 S CA 0.543 58.752 58.200 0.015 0.000 1.055 419 S CB 0.610 63.816 63.200 0.010 0.000 0.790 419 S HN 0.883 nan 8.310 nan 0.000 0.500 420 T N 6.574 121.126 114.554 -0.004 0.000 2.652 420 T HA -0.040 4.237 4.350 -0.122 0.000 0.267 420 T C -0.813 173.885 174.700 -0.003 0.000 1.039 420 T CA 1.764 63.861 62.100 -0.005 0.000 1.153 420 T CB -1.250 67.615 68.868 -0.004 0.000 0.863 420 T HN 0.720 nan 8.240 nan 0.000 0.428 421 P HA -0.089 nan 4.420 nan 0.000 0.218 421 P C 1.451 178.747 177.300 -0.008 0.000 1.148 421 P CA 1.309 64.409 63.100 0.000 0.000 0.822 421 P CB -0.426 31.275 31.700 0.002 0.000 0.784 422 T N 1.249 115.799 114.554 -0.008 0.000 2.595 422 T HA -0.141 4.136 4.350 -0.122 0.000 0.264 422 T C 2.018 176.695 174.700 -0.039 0.000 1.058 422 T CA 1.254 63.344 62.100 -0.016 0.000 1.166 422 T CB -1.142 67.728 68.868 0.005 0.000 0.863 422 T HN 0.054 nan 8.240 nan 0.000 0.415 423 L N 0.673 121.877 121.223 -0.032 0.000 2.064 423 L HA -0.185 4.082 4.340 -0.122 0.000 0.216 423 L C 2.682 179.515 176.870 -0.063 0.000 1.077 423 L CA 1.172 55.983 54.840 -0.048 0.000 0.766 423 L CB -0.845 41.199 42.059 -0.026 0.000 0.890 423 L HN 0.165 nan 8.230 nan 0.000 0.435 424 V N -0.575 119.316 119.914 -0.038 0.000 2.244 424 V HA -0.282 3.764 4.120 -0.122 0.000 0.244 424 V C 2.441 178.510 176.094 -0.041 0.000 1.042 424 V CA 1.968 64.250 62.300 -0.030 0.000 1.006 424 V CB -0.478 31.344 31.823 -0.001 0.000 0.641 424 V HN 0.472 nan 8.190 nan 0.000 0.446 425 E N -0.075 120.105 120.200 -0.033 0.000 2.097 425 E HA -0.235 4.042 4.350 -0.122 0.000 0.196 425 E C 2.187 178.744 176.600 -0.071 0.000 1.000 425 E CA 2.000 58.380 56.400 -0.032 0.000 0.804 425 E CB -0.068 29.619 29.700 -0.023 0.000 0.740 425 E HN 0.397 nan 8.360 nan 0.000 0.454 426 V N 0.299 120.146 119.914 -0.112 0.000 2.244 426 V HA -0.246 3.801 4.120 -0.122 0.000 0.244 426 V C 2.392 178.342 176.094 -0.241 0.000 1.042 426 V CA 1.996 64.181 62.300 -0.192 0.000 1.006 426 V CB -0.545 31.136 31.823 -0.237 0.000 0.641 426 V HN 0.253 nan 8.190 nan 0.000 0.446 427 S N -0.461 115.101 115.700 -0.230 0.000 2.383 427 S HA -0.222 4.175 4.470 -0.122 0.000 0.229 427 S C 2.037 176.527 174.600 -0.184 0.000 1.030 427 S CA 1.588 59.637 58.200 -0.253 0.000 1.002 427 S CB -0.334 62.764 63.200 -0.170 0.000 0.829 427 S HN 0.527 nan 8.310 nan 0.000 0.467 428 R N 1.323 121.761 120.500 -0.104 0.000 2.066 428 R HA 0.036 4.303 4.340 -0.122 0.000 0.232 428 R C 1.948 178.240 176.300 -0.013 0.000 1.131 428 R CA 1.325 57.403 56.100 -0.037 0.000 0.955 428 R CB -0.415 29.889 30.300 0.007 0.000 0.851 428 R HN 0.331 nan 8.270 nan 0.000 0.432 429 N N 1.040 119.722 118.700 -0.030 0.000 2.166 429 N HA -0.121 4.546 4.740 -0.122 0.000 0.186 429 N C 1.903 177.425 175.510 0.019 0.000 1.019 429 N CA 1.030 54.093 53.050 0.023 0.000 0.856 429 N CB -0.260 38.200 38.487 -0.044 0.000 0.993 429 N HN 0.172 nan 8.380 nan 0.000 0.426 430 L N 0.340 121.480 121.223 -0.139 0.000 2.012 430 L HA -0.111 4.156 4.340 -0.122 0.000 0.210 430 L C 2.428 179.268 176.870 -0.050 0.000 1.073 430 L CA 1.516 56.252 54.840 -0.173 0.000 0.748 430 L CB -0.986 40.850 42.059 -0.372 0.000 0.891 430 L HN 0.231 nan 8.230 nan 0.000 0.431 431 G N -0.321 108.420 108.800 -0.098 0.000 2.450 431 G HA2 -0.266 3.621 3.960 -0.122 0.000 0.220 431 G HA3 -0.266 3.621 3.960 -0.122 0.000 0.220 431 G C 1.620 176.611 174.900 0.152 0.000 1.130 431 G CA 0.553 45.636 45.100 -0.028 0.000 0.760 431 G HN 0.318 nan 8.290 nan 0.000 0.557 432 K N -0.107 120.369 120.400 0.125 0.000 2.360 432 K HA 0.005 4.252 4.320 -0.122 0.000 0.201 432 K C 2.381 178.962 176.600 -0.032 0.000 1.046 432 K CA 0.563 56.895 56.287 0.075 0.000 0.940 432 K CB -0.194 32.363 32.500 0.096 0.000 0.748 432 K HN 0.230 nan 8.250 nan 0.000 0.465 433 V N 1.010 120.989 119.914 0.108 0.000 2.332 433 V HA -0.234 3.812 4.120 -0.122 0.000 0.248 433 V C 2.083 178.053 176.094 -0.207 0.000 1.055 433 V CA 2.406 64.724 62.300 0.029 0.000 1.038 433 V CB -0.688 31.262 31.823 0.212 0.000 0.651 433 V HN 0.498 nan 8.190 nan 0.000 0.450 434 G N -0.804 107.757 108.800 -0.398 0.000 2.514 434 G HA2 -0.301 3.585 3.960 -0.122 0.000 0.217 434 G HA3 -0.301 3.585 3.960 -0.122 0.000 0.217 434 G C 1.784 175.906 174.900 -1.296 0.000 1.198 434 G CA 1.300 45.633 45.100 -1.278 0.000 0.780 434 G HN 0.562 nan 8.290 nan 0.000 0.565 435 S N 0.576 115.721 115.700 -0.924 0.000 2.359 435 S HA -0.137 4.260 4.470 -0.122 0.000 0.222 435 S C 2.211 176.717 174.600 -0.156 0.000 1.038 435 S CA 1.637 59.690 58.200 -0.245 0.000 1.051 435 S CB -0.319 62.865 63.200 -0.028 0.000 0.944 435 S HN 0.432 nan 8.310 nan 0.000 0.433 436 K N 0.058 120.345 120.400 -0.187 0.000 1.987 436 K HA -0.133 4.114 4.320 -0.122 0.000 0.216 436 K C 2.402 178.999 176.600 -0.004 0.000 1.051 436 K CA 1.882 58.092 56.287 -0.128 0.000 0.942 436 K CB -0.382 31.957 32.500 -0.269 0.000 0.722 436 K HN 0.404 nan 8.250 nan 0.000 0.444 437 c N -0.506 118.072 118.600 -0.036 0.000 2.518 437 c HA 0.052 4.549 4.570 -0.122 0.000 0.283 437 c C 2.853 177.002 174.090 0.097 0.000 1.351 437 c CA -0.481 55.900 56.329 0.087 0.000 1.745 437 c CB -0.577 41.930 42.510 -0.005 0.000 2.107 437 c HN 0.591 nan 8.230 nan 0.000 0.502 438 c N 1.130 119.718 118.600 -0.020 0.000 2.403 438 c HA -0.146 4.350 4.570 -0.122 0.000 0.279 438 c C 2.704 176.843 174.090 0.081 0.000 1.269 438 c CA 1.365 57.718 56.329 0.040 0.000 1.774 438 c CB -1.186 41.373 42.510 0.082 0.000 1.993 438 c HN 0.652 nan 8.230 nan 0.000 0.496 439 K N 0.318 120.749 120.400 0.051 0.000 2.052 439 K HA -0.155 4.092 4.320 -0.122 0.000 0.215 439 K C 1.122 177.687 176.600 -0.057 0.000 1.053 439 K CA 1.359 57.631 56.287 -0.025 0.000 0.934 439 K CB -0.378 32.046 32.500 -0.127 0.000 0.717 439 K HN 0.630 nan 8.250 nan 0.000 0.450 440 H N 0.331 119.402 119.070 0.003 0.000 2.801 440 H HA 0.051 4.533 4.556 -0.123 0.000 0.377 440 H C -2.009 173.325 175.328 0.009 0.000 1.304 440 H CA -0.769 55.281 56.048 0.002 0.000 1.451 440 H CB -0.033 29.726 29.762 -0.005 0.000 1.474 440 H HN 0.275 nan 8.280 nan 0.000 0.620 441 P HA 0.118 nan 4.420 nan 0.000 0.282 441 P C 0.353 177.703 177.300 0.083 0.000 1.259 441 P CA -0.478 62.676 63.100 0.091 0.000 0.826 441 P CB 1.255 32.995 31.700 0.067 0.000 1.064 442 E N 1.177 121.411 120.200 0.057 0.000 2.169 442 E HA -0.293 3.983 4.350 -0.122 0.000 0.202 442 E C 1.901 178.523 176.600 0.036 0.000 1.016 442 E CA 2.028 58.455 56.400 0.044 0.000 0.817 442 E CB -0.465 29.259 29.700 0.041 0.000 0.736 442 E HN 0.553 nan 8.360 nan 0.000 0.462 443 A N 1.180 124.022 122.820 0.037 0.000 1.958 443 A HA -0.248 3.999 4.320 -0.122 0.000 0.221 443 A C 1.867 179.452 177.584 0.002 0.000 1.178 443 A CA 1.803 53.856 52.037 0.027 0.000 0.642 443 A CB -0.197 18.817 19.000 0.024 0.000 0.816 443 A HN 0.107 nan 8.150 nan 0.000 0.453 444 K N -1.868 118.518 120.400 -0.023 0.000 2.374 444 K HA 0.210 4.456 4.320 -0.122 0.000 0.202 444 K C 1.849 178.339 176.600 -0.183 0.000 1.040 444 K CA -0.225 55.987 56.287 -0.125 0.000 1.085 444 K CB 0.395 32.770 32.500 -0.209 0.000 0.873 444 K HN 0.325 nan 8.250 nan 0.000 0.539 445 R N 0.840 121.297 120.500 -0.071 0.000 2.066 445 R HA 0.021 4.288 4.340 -0.122 0.000 0.232 445 R C 2.266 178.539 176.300 -0.045 0.000 1.131 445 R CA 1.368 57.441 56.100 -0.045 0.000 0.955 445 R CB -0.040 30.269 30.300 0.016 0.000 0.851 445 R HN 0.169 nan 8.270 nan 0.000 0.432 446 M N 0.885 120.468 119.600 -0.029 0.000 2.067 446 M HA -0.087 4.319 4.480 -0.122 0.000 0.260 446 M C -0.924 175.352 176.300 -0.041 0.000 1.069 446 M CA 1.714 56.996 55.300 -0.031 0.000 1.117 446 M CB -0.888 31.692 32.600 -0.033 0.000 1.334 446 M HN -0.044 nan 8.290 nan 0.000 0.407 447 P HA -0.143 nan 4.420 nan 0.000 0.215 447 P C 1.847 179.124 177.300 -0.038 0.000 1.157 447 P CA 1.463 64.534 63.100 -0.049 0.000 0.863 447 P CB -0.607 31.061 31.700 -0.053 0.000 0.787 448 c N 0.291 118.845 118.600 -0.077 0.000 2.336 448 c HA -0.202 4.295 4.570 -0.122 0.000 0.275 448 c C 2.974 177.077 174.090 0.022 0.000 1.175 448 c CA 2.475 58.759 56.329 -0.075 0.000 1.771 448 c CB -1.590 40.808 42.510 -0.185 0.000 2.030 448 c HN 0.287 nan 8.230 nan 0.000 0.442 449 A N -0.499 122.335 122.820 0.023 0.000 1.835 449 A HA -0.100 4.146 4.320 -0.122 0.000 0.213 449 A C 2.110 179.750 177.584 0.093 0.000 1.210 449 A CA 1.666 53.755 52.037 0.087 0.000 0.605 449 A CB -1.167 17.864 19.000 0.052 0.000 0.860 449 A HN 0.778 nan 8.150 nan 0.000 0.447 450 E N -0.137 120.082 120.200 0.031 0.000 2.118 450 E HA -0.236 4.041 4.350 -0.122 0.000 0.195 450 E C 1.325 177.937 176.600 0.020 0.000 0.992 450 E CA 1.620 58.024 56.400 0.007 0.000 0.804 450 E CB -0.095 29.580 29.700 -0.041 0.000 0.741 450 E HN 0.555 nan 8.360 nan 0.000 0.458 451 D N -0.549 119.876 120.400 0.042 0.000 2.103 451 D HA -0.169 4.398 4.640 -0.122 0.000 0.199 451 D C 1.700 178.065 176.300 0.108 0.000 0.978 451 D CA 0.895 54.955 54.000 0.099 0.000 0.829 451 D CB -0.462 40.404 40.800 0.111 0.000 0.981 451 D HN 0.283 nan 8.370 nan 0.000 0.464 452 Y N 1.944 122.246 120.300 0.003 0.000 2.151 452 Y HA -0.204 4.268 4.550 -0.129 0.000 0.284 452 Y C 2.171 178.058 175.900 -0.023 0.000 1.166 452 Y CA 1.260 59.352 58.100 -0.013 0.000 1.163 452 Y CB -0.551 37.895 38.460 -0.023 0.000 0.974 452 Y HN -0.082 nan 8.280 nan 0.000 0.511 453 L N -1.034 120.069 121.223 -0.199 0.000 2.056 453 L HA -0.229 4.037 4.340 -0.122 0.000 0.207 453 L C 2.528 179.266 176.870 -0.221 0.000 1.078 453 L CA 1.428 56.100 54.840 -0.281 0.000 0.749 453 L CB -0.795 41.204 42.059 -0.101 0.000 0.901 453 L HN 0.119 nan 8.230 nan 0.000 0.433 454 S N -0.233 115.416 115.700 -0.084 0.000 2.380 454 S HA -0.203 4.193 4.470 -0.122 0.000 0.229 454 S C 2.032 176.573 174.600 -0.098 0.000 1.043 454 S CA 1.553 59.744 58.200 -0.015 0.000 1.038 454 S CB -0.468 62.828 63.200 0.159 0.000 0.872 454 S HN 0.194 nan 8.310 nan 0.000 0.456 455 V N 1.404 121.223 119.914 -0.157 0.000 2.295 455 V HA -0.151 3.896 4.120 -0.122 0.000 0.246 455 V C 2.295 178.239 176.094 -0.249 0.000 1.049 455 V CA 1.613 63.794 62.300 -0.199 0.000 1.024 455 V CB -0.766 30.949 31.823 -0.180 0.000 0.648 455 V HN 0.386 nan 8.190 nan 0.000 0.447 456 V N -0.478 119.210 119.914 -0.377 0.000 2.548 456 V HA -0.164 3.882 4.120 -0.122 0.000 0.249 456 V C 2.176 178.091 176.094 -0.298 0.000 1.055 456 V CA 1.510 63.588 62.300 -0.370 0.000 1.065 456 V CB -0.496 31.023 31.823 -0.507 0.000 0.681 456 V HN 0.434 nan 8.190 nan 0.000 0.462 457 L N 0.345 121.408 121.223 -0.266 0.000 2.131 457 L HA -0.064 4.203 4.340 -0.122 0.000 0.206 457 L C 2.430 179.218 176.870 -0.137 0.000 1.087 457 L CA 1.539 56.228 54.840 -0.252 0.000 0.767 457 L CB -0.657 41.289 42.059 -0.189 0.000 0.917 457 L HN 0.429 nan 8.230 nan 0.000 0.441 458 N N 0.122 118.765 118.700 -0.095 0.000 2.166 458 N HA -0.259 4.408 4.740 -0.122 0.000 0.186 458 N C 1.888 177.353 175.510 -0.076 0.000 1.019 458 N CA 1.333 54.348 53.050 -0.058 0.000 0.856 458 N CB -0.012 38.423 38.487 -0.086 0.000 0.993 458 N HN 0.234 nan 8.380 nan 0.000 0.426 459 Q N -0.477 119.254 119.800 -0.114 0.000 2.014 459 Q HA -0.199 4.067 4.340 -0.122 0.000 0.207 459 Q C 1.959 177.912 176.000 -0.080 0.000 0.993 459 Q CA 1.780 57.523 55.803 -0.099 0.000 0.850 459 Q CB -0.343 28.321 28.738 -0.122 0.000 0.916 459 Q HN 0.473 nan 8.270 nan 0.000 0.417 460 L N 0.507 121.655 121.223 -0.124 0.000 2.012 460 L HA -0.215 4.051 4.340 -0.122 0.000 0.210 460 L C 2.384 179.246 176.870 -0.014 0.000 1.073 460 L CA 1.876 56.649 54.840 -0.111 0.000 0.748 460 L CB -1.082 40.826 42.059 -0.251 0.000 0.891 460 L HN 0.362 nan 8.230 nan 0.000 0.431 461 c N -1.201 117.400 118.600 0.003 0.000 2.398 461 c HA -0.181 4.316 4.570 -0.122 0.000 0.276 461 c C 2.851 176.998 174.090 0.095 0.000 1.222 461 c CA 1.284 57.666 56.329 0.088 0.000 1.746 461 c CB -1.180 41.395 42.510 0.109 0.000 2.039 461 c HN 0.659 nan 8.230 nan 0.000 0.470 462 V N -0.307 119.630 119.914 0.038 0.000 2.283 462 V HA -0.138 3.909 4.120 -0.122 0.000 0.243 462 V C 2.171 178.290 176.094 0.043 0.000 1.039 462 V CA 1.896 64.212 62.300 0.026 0.000 1.016 462 V CB -1.206 30.601 31.823 -0.027 0.000 0.650 462 V HN 0.555 nan 8.190 nan 0.000 0.449 463 L N 0.084 121.329 121.223 0.036 0.000 2.129 463 L HA -0.224 4.042 4.340 -0.122 0.000 0.212 463 L C 2.757 179.660 176.870 0.055 0.000 1.087 463 L CA 2.452 57.312 54.840 0.034 0.000 0.757 463 L CB -0.928 41.142 42.059 0.019 0.000 0.896 463 L HN 0.527 nan 8.230 nan 0.000 0.434 464 H N -0.206 118.863 119.070 -0.001 0.000 2.372 464 H HA -0.149 4.332 4.556 -0.126 0.000 0.301 464 H C 2.260 177.596 175.328 0.012 0.000 1.065 464 H CA 1.636 57.690 56.048 0.010 0.000 1.364 464 H CB 0.234 30.014 29.762 0.031 0.000 1.406 464 H HN 0.250 nan 8.280 nan 0.000 0.521 465 E N 0.663 120.909 120.200 0.076 0.000 2.085 465 E HA -0.277 4.000 4.350 -0.122 0.000 0.194 465 E C 2.121 178.687 176.600 -0.057 0.000 0.994 465 E CA 1.248 57.662 56.400 0.023 0.000 0.801 465 E CB -0.037 29.693 29.700 0.050 0.000 0.743 465 E HN 0.412 nan 8.360 nan 0.000 0.453 466 K N -0.182 120.191 120.400 -0.045 0.000 2.023 466 K HA -0.211 4.035 4.320 -0.122 0.000 0.227 466 K C 0.776 177.318 176.600 -0.097 0.000 1.054 466 K CA 2.139 58.392 56.287 -0.056 0.000 0.977 466 K CB -0.381 32.097 32.500 -0.036 0.000 0.733 466 K HN 0.229 nan 8.250 nan 0.000 0.451 467 T N 0.641 115.107 114.554 -0.147 0.000 3.064 467 T HA 0.397 4.674 4.350 -0.122 0.000 0.367 467 T C -2.788 171.726 174.700 -0.310 0.000 1.202 467 T CA -2.007 59.993 62.100 -0.166 0.000 1.133 467 T CB 1.559 70.362 68.868 -0.109 0.000 1.074 467 T HN 0.031 nan 8.240 nan 0.000 0.519 468 P HA 0.337 nan 4.420 nan 0.000 0.276 468 P C 0.355 177.535 177.300 -0.200 0.000 1.230 468 P CA -0.427 62.380 63.100 -0.488 0.000 0.776 468 P CB 1.874 33.476 31.700 -0.163 0.000 0.888 469 V N 0.954 120.827 119.914 -0.068 0.000 3.161 469 V HA 0.075 4.122 4.120 -0.122 0.000 0.221 469 V C 0.986 177.180 176.094 0.167 0.000 1.296 469 V CA 0.705 63.052 62.300 0.079 0.000 1.306 469 V CB -0.738 31.136 31.823 0.084 0.000 1.171 469 V HN 0.647 nan 8.190 nan 0.000 0.513 470 S N 0.884 116.756 115.700 0.286 0.000 2.513 470 S HA 0.259 4.655 4.470 -0.122 0.000 0.276 470 S C 0.234 174.904 174.600 0.117 0.000 1.254 470 S CA -0.352 57.935 58.200 0.144 0.000 1.053 470 S CB 1.185 64.424 63.200 0.065 0.000 0.958 470 S HN 0.347 nan 8.310 nan 0.000 0.491 471 D N 1.961 122.400 120.400 0.064 0.000 2.269 471 D HA -0.010 4.556 4.640 -0.122 0.000 0.208 471 D C 1.878 178.172 176.300 -0.010 0.000 0.963 471 D CA 0.764 54.787 54.000 0.039 0.000 0.864 471 D CB 0.013 40.829 40.800 0.026 0.000 0.936 471 D HN 0.604 nan 8.370 nan 0.000 0.505 472 R N 0.347 120.826 120.500 -0.035 0.000 2.093 472 R HA 0.016 4.282 4.340 -0.122 0.000 0.224 472 R C 2.258 178.470 176.300 -0.146 0.000 1.101 472 R CA 0.425 56.469 56.100 -0.092 0.000 0.979 472 R CB -0.428 29.822 30.300 -0.083 0.000 0.877 472 R HN 0.110 nan 8.270 nan 0.000 0.441 473 V N 1.073 120.916 119.914 -0.118 0.000 2.270 473 V HA -0.214 3.833 4.120 -0.122 0.000 0.245 473 V C 2.220 178.251 176.094 -0.104 0.000 1.043 473 V CA 2.200 64.422 62.300 -0.130 0.000 1.014 473 V CB -0.664 30.851 31.823 -0.514 0.000 0.645 473 V HN 0.338 nan 8.190 nan 0.000 0.447 474 T N -0.382 114.140 114.554 -0.053 0.000 2.778 474 T HA -0.281 3.995 4.350 -0.122 0.000 0.269 474 T C 1.877 176.582 174.700 0.007 0.000 1.050 474 T CA 2.050 64.184 62.100 0.057 0.000 1.137 474 T CB -0.183 68.751 68.868 0.111 0.000 0.860 474 T HN 0.496 nan 8.240 nan 0.000 0.468 475 K N 0.294 120.666 120.400 -0.047 0.000 1.980 475 K HA -0.052 4.195 4.320 -0.122 0.000 0.208 475 K C 2.488 179.027 176.600 -0.101 0.000 1.043 475 K CA 1.390 57.637 56.287 -0.067 0.000 0.938 475 K CB -0.605 31.841 32.500 -0.090 0.000 0.724 475 K HN 0.246 nan 8.250 nan 0.000 0.438 476 c N 0.728 119.185 118.600 -0.237 0.000 2.403 476 c HA -0.165 4.332 4.570 -0.122 0.000 0.279 476 c C 2.844 176.881 174.090 -0.088 0.000 1.269 476 c CA 0.738 56.861 56.329 -0.342 0.000 1.774 476 c CB -1.093 40.778 42.510 -1.065 0.000 1.993 476 c HN 0.680 nan 8.230 nan 0.000 0.496 477 c N -0.828 117.789 118.600 0.028 0.000 2.486 477 c HA -0.033 4.464 4.570 -0.122 0.000 0.279 477 c C 2.782 176.994 174.090 0.203 0.000 1.302 477 c CA 1.340 57.765 56.329 0.160 0.000 1.720 477 c CB -1.438 41.171 42.510 0.165 0.000 2.030 477 c HN 0.663 nan 8.230 nan 0.000 0.490 478 T N 0.271 114.895 114.554 0.118 0.000 2.937 478 T HA -0.087 4.190 4.350 -0.122 0.000 0.260 478 T C 1.597 176.387 174.700 0.150 0.000 1.051 478 T CA 1.181 63.339 62.100 0.096 0.000 1.141 478 T CB -0.153 68.731 68.868 0.027 0.000 0.879 478 T HN 0.584 nan 8.240 nan 0.000 0.459 479 E N 1.687 121.948 120.200 0.101 0.000 2.026 479 E HA -0.119 4.157 4.350 -0.122 0.000 0.206 479 E C 0.641 177.332 176.600 0.151 0.000 1.028 479 E CA 1.356 57.804 56.400 0.080 0.000 0.845 479 E CB 0.080 29.786 29.700 0.010 0.000 0.772 479 E HN 0.327 nan 8.360 nan 0.000 0.462 480 S N -1.770 114.015 115.700 0.142 0.000 2.605 480 S HA 0.151 4.548 4.470 -0.122 0.000 0.279 480 S C 0.152 174.702 174.600 -0.084 0.000 1.166 480 S CA -0.594 57.653 58.200 0.077 0.000 0.975 480 S CB 0.874 64.081 63.200 0.012 0.000 1.111 480 S HN 0.311 nan 8.310 nan 0.000 0.465 481 L N 6.249 127.179 121.223 -0.490 0.000 2.013 481 L HA -0.010 4.257 4.340 -0.122 0.000 0.212 481 L C 1.982 178.727 176.870 -0.208 0.000 1.073 481 L CA 2.444 56.889 54.840 -0.659 0.000 0.753 481 L CB -0.781 40.456 42.059 -1.369 0.000 0.890 481 L HN 0.683 nan 8.230 nan 0.000 0.432 482 V N -0.207 119.605 119.914 -0.170 0.000 2.515 482 V HA -0.233 3.814 4.120 -0.122 0.000 0.250 482 V C 1.791 177.831 176.094 -0.090 0.000 1.058 482 V CA 2.027 64.262 62.300 -0.108 0.000 1.064 482 V CB -0.871 30.862 31.823 -0.150 0.000 0.675 482 V HN 0.566 nan 8.190 nan 0.000 0.461 483 N N -0.447 118.207 118.700 -0.075 0.000 2.276 483 N HA 0.103 4.770 4.740 -0.122 0.000 0.212 483 N C 1.589 177.084 175.510 -0.024 0.000 1.127 483 N CA -0.254 52.763 53.050 -0.056 0.000 0.834 483 N CB 0.172 38.624 38.487 -0.058 0.000 1.014 483 N HN 0.441 nan 8.380 nan 0.000 0.491 484 R N 0.799 121.308 120.500 0.015 0.000 2.096 484 R HA -0.070 4.196 4.340 -0.122 0.000 0.235 484 R C 2.265 178.676 176.300 0.186 0.000 1.127 484 R CA 1.050 57.207 56.100 0.094 0.000 0.968 484 R CB -0.036 30.361 30.300 0.162 0.000 0.861 484 R HN 0.210 nan 8.270 nan 0.000 0.440 485 R N 0.581 121.161 120.500 0.133 0.000 2.066 485 R HA -0.016 4.250 4.340 -0.122 0.000 0.224 485 R C -0.841 175.524 176.300 0.110 0.000 1.122 485 R CA 0.664 56.860 56.100 0.160 0.000 0.974 485 R CB -0.819 29.527 30.300 0.077 0.000 0.871 485 R HN 0.077 nan 8.270 nan 0.000 0.435 486 P HA -0.175 nan 4.420 nan 0.000 0.216 486 P C 1.537 178.829 177.300 -0.014 0.000 1.150 486 P CA 1.103 64.203 63.100 0.000 0.000 0.843 486 P CB -0.259 31.421 31.700 -0.034 0.000 0.787 487 c N -2.186 116.387 118.600 -0.046 0.000 2.429 487 c HA -0.141 4.356 4.570 -0.122 0.000 0.277 487 c C 2.417 176.374 174.090 -0.221 0.000 1.262 487 c CA 0.736 56.970 56.329 -0.157 0.000 1.733 487 c CB -2.130 40.233 42.510 -0.244 0.000 2.010 487 c HN 0.054 nan 8.230 nan 0.000 0.483 488 F N 0.783 120.721 119.950 -0.020 0.000 2.187 488 F HA 0.005 4.461 4.527 -0.118 0.000 0.295 488 F C 2.812 178.561 175.800 -0.086 0.000 1.091 488 F CA 1.647 59.628 58.000 -0.031 0.000 1.308 488 F CB -0.997 38.051 39.000 0.080 0.000 1.030 488 F HN 0.066 nan 8.300 nan 0.000 0.487 489 S N -0.033 115.748 115.700 0.135 0.000 2.372 489 S HA -0.300 4.097 4.470 -0.122 0.000 0.227 489 S C 2.262 176.851 174.600 -0.020 0.000 1.044 489 S CA 1.506 59.731 58.200 0.042 0.000 1.050 489 S CB -0.655 62.570 63.200 0.042 0.000 0.901 489 S HN 0.373 nan 8.310 nan 0.000 0.447 490 A N 0.522 123.323 122.820 -0.032 0.000 2.067 490 A HA 0.254 4.500 4.320 -0.122 0.000 0.217 490 A C 0.938 178.484 177.584 -0.064 0.000 1.156 490 A CA 0.273 52.281 52.037 -0.048 0.000 0.683 490 A CB -0.382 18.587 19.000 -0.052 0.000 0.808 490 A HN 0.437 nan 8.150 nan 0.000 0.455 491 L N -0.473 120.701 121.223 -0.081 0.000 2.472 491 L HA 0.260 4.527 4.340 -0.122 0.000 0.273 491 L C 0.531 177.349 176.870 -0.086 0.000 1.254 491 L CA 0.118 54.904 54.840 -0.089 0.000 0.823 491 L CB 0.099 42.100 42.059 -0.096 0.000 1.096 491 L HN 0.438 nan 8.230 nan 0.000 0.521 492 E N -0.437 119.718 120.200 -0.075 0.000 2.456 492 E HA 0.298 4.574 4.350 -0.122 0.000 0.276 492 E C -1.356 175.209 176.600 -0.058 0.000 0.981 492 E CA -0.786 55.576 56.400 -0.063 0.000 0.814 492 E CB 1.717 31.392 29.700 -0.042 0.000 1.382 492 E HN 0.185 nan 8.360 nan 0.000 0.459 493 V N 2.221 122.109 119.914 -0.044 0.000 2.644 493 V HA 0.041 4.088 4.120 -0.122 0.000 0.305 493 V C -0.437 175.652 176.094 -0.009 0.000 1.053 493 V CA 0.695 62.978 62.300 -0.028 0.000 1.186 493 V CB 0.474 32.293 31.823 -0.007 0.000 0.895 493 V HN 0.688 nan 8.190 nan 0.000 0.490 494 D N 5.858 126.254 120.400 -0.007 0.000 2.338 494 D HA 0.106 4.672 4.640 -0.122 0.000 0.255 494 D C 0.991 177.341 176.300 0.083 0.000 1.237 494 D CA -0.089 53.926 54.000 0.025 0.000 0.883 494 D CB 1.230 42.036 40.800 0.009 0.000 1.087 494 D HN 0.654 nan 8.370 nan 0.000 0.485 495 E N 2.167 122.403 120.200 0.059 0.000 2.047 495 E HA -0.113 4.163 4.350 -0.122 0.000 0.191 495 E C 1.857 178.504 176.600 0.078 0.000 0.987 495 E CA 0.986 57.423 56.400 0.062 0.000 0.799 495 E CB -0.667 29.054 29.700 0.035 0.000 0.752 495 E HN 0.558 nan 8.360 nan 0.000 0.449 496 T N 1.238 115.836 114.554 0.074 0.000 2.620 496 T HA -0.278 3.999 4.350 -0.122 0.000 0.267 496 T C 0.929 175.692 174.700 0.104 0.000 1.044 496 T CA 1.413 63.558 62.100 0.075 0.000 1.161 496 T CB -0.853 68.059 68.868 0.074 0.000 0.862 496 T HN 0.201 nan 8.240 nan 0.000 0.438 497 Y N 3.306 123.610 120.300 0.007 0.000 2.863 497 Y HA 0.137 4.616 4.550 -0.120 0.000 0.359 497 Y C 0.217 176.125 175.900 0.014 0.000 1.312 497 Y CA -0.922 57.184 58.100 0.010 0.000 1.650 497 Y CB -0.203 38.261 38.460 0.008 0.000 1.201 497 Y HN 0.007 nan 8.280 nan 0.000 0.531 498 V N 10.577 130.264 119.914 -0.379 0.000 2.455 498 V HA 0.301 4.348 4.120 -0.122 0.000 0.273 498 V C -2.038 173.547 176.094 -0.849 0.000 1.045 498 V CA -1.967 60.070 62.300 -0.439 0.000 0.976 498 V CB 0.289 31.995 31.823 -0.195 0.000 0.993 498 V HN 0.760 nan 8.190 nan 0.000 0.475 499 P HA 0.226 nan 4.420 nan 0.000 0.272 499 P C -1.006 176.183 177.300 -0.184 0.000 1.230 499 P CA -0.262 62.548 63.100 -0.484 0.000 0.788 499 P CB 0.450 32.062 31.700 -0.146 0.000 0.949 500 K N 1.118 121.488 120.400 -0.050 0.000 2.172 500 K HA 0.076 4.323 4.320 -0.122 0.000 0.276 500 K C 1.128 177.927 176.600 0.332 0.000 1.013 500 K CA -0.107 56.229 56.287 0.081 0.000 0.913 500 K CB 0.644 33.171 32.500 0.045 0.000 1.055 500 K HN 0.315 nan 8.250 nan 0.000 0.461 501 E N 2.751 123.105 120.200 0.256 0.000 2.047 501 E HA -0.009 4.267 4.350 -0.122 0.000 0.191 501 E C -0.672 176.119 176.600 0.319 0.000 0.987 501 E CA 1.315 57.866 56.400 0.251 0.000 0.799 501 E CB 0.148 29.934 29.700 0.143 0.000 0.752 501 E HN 0.473 nan 8.360 nan 0.000 0.449 502 F N -1.957 117.991 119.950 -0.002 0.000 3.032 502 F HA 0.339 4.794 4.527 -0.121 0.000 0.331 502 F C -1.680 174.043 175.800 -0.128 0.000 1.125 502 F CA -1.103 56.699 58.000 -0.332 0.000 0.873 502 F CB 1.015 39.909 39.000 -0.177 0.000 1.374 502 F HN -0.256 nan 8.300 nan 0.000 0.452 503 N N 0.555 118.968 118.700 -0.479 0.000 2.504 503 N HA 0.639 5.305 4.740 -0.122 0.000 0.268 503 N C -0.295 175.095 175.510 -0.201 0.000 1.184 503 N CA 0.217 53.151 53.050 -0.193 0.000 0.875 503 N CB 2.157 40.493 38.487 -0.252 0.000 1.630 503 N HN 0.729 nan 8.380 nan 0.000 0.486 504 A N 1.346 124.167 122.820 0.002 0.000 1.862 504 A HA 0.055 4.302 4.320 -0.122 0.000 0.211 504 A C 1.410 178.919 177.584 -0.124 0.000 1.220 504 A CA 1.056 53.121 52.037 0.047 0.000 0.616 504 A CB -0.473 18.575 19.000 0.081 0.000 0.878 504 A HN 0.779 nan 8.150 nan 0.000 0.453 505 E N -0.085 120.024 120.200 -0.152 0.000 2.171 505 E HA -0.175 4.102 4.350 -0.122 0.000 0.197 505 E C 1.894 178.290 176.600 -0.340 0.000 0.997 505 E CA 1.720 58.005 56.400 -0.192 0.000 0.810 505 E CB -0.398 29.218 29.700 -0.140 0.000 0.738 505 E HN 0.700 nan 8.360 nan 0.000 0.467 506 T N -0.369 113.859 114.554 -0.543 0.000 2.915 506 T HA -0.100 4.177 4.350 -0.122 0.000 0.269 506 T C 1.360 175.531 174.700 -0.881 0.000 1.071 506 T CA 1.008 62.631 62.100 -0.796 0.000 1.132 506 T CB -0.138 68.015 68.868 -1.192 0.000 0.878 506 T HN 0.206 nan 8.240 nan 0.000 0.479 507 F N 1.066 120.785 119.950 -0.384 0.000 2.740 507 F HA 0.180 4.633 4.527 -0.124 0.000 0.304 507 F C 0.943 176.410 175.800 -0.554 0.000 1.098 507 F CA -0.667 57.030 58.000 -0.505 0.000 1.258 507 F CB 0.124 39.047 39.000 -0.128 0.000 1.061 507 F HN -0.053 nan 8.300 nan 0.000 0.598 508 T N 0.724 115.171 114.554 -0.177 0.000 2.738 508 T HA 0.290 4.567 4.350 -0.122 0.000 0.293 508 T C -0.368 174.227 174.700 -0.175 0.000 0.913 508 T CA -0.160 61.924 62.100 -0.026 0.000 1.103 508 T CB -0.273 68.622 68.868 0.045 0.000 0.880 508 T HN -0.113 nan 8.240 nan 0.000 0.526 509 F N 1.382 121.516 119.950 0.306 0.000 2.348 509 F HA 0.448 4.900 4.527 -0.123 0.000 0.308 509 F C 1.498 177.177 175.800 -0.202 0.000 1.175 509 F CA -0.704 57.365 58.000 0.115 0.000 1.080 509 F CB 0.758 39.969 39.000 0.353 0.000 1.341 509 F HN 0.512 nan 8.300 nan 0.000 0.518 510 H N -0.799 118.236 119.070 -0.058 0.000 2.771 510 H HA 0.477 4.960 4.556 -0.123 0.000 0.344 510 H C 0.691 175.509 175.328 -0.851 0.000 1.260 510 H CA -0.354 55.452 56.048 -0.404 0.000 1.276 510 H CB 1.434 31.105 29.762 -0.152 0.000 1.881 510 H HN 0.571 nan 8.280 nan 0.000 0.615 511 A N 0.462 122.982 122.820 -0.501 0.000 1.930 511 A HA -0.191 4.056 4.320 -0.122 0.000 0.217 511 A C 1.755 179.234 177.584 -0.175 0.000 1.175 511 A CA 1.935 53.731 52.037 -0.403 0.000 0.627 511 A CB -0.871 18.040 19.000 -0.148 0.000 0.815 511 A HN 0.858 nan 8.150 nan 0.000 0.443 512 D N 0.059 120.398 120.400 -0.102 0.000 2.254 512 D HA -0.257 4.310 4.640 -0.122 0.000 0.201 512 D C 1.548 177.837 176.300 -0.019 0.000 0.998 512 D CA 1.350 55.327 54.000 -0.037 0.000 0.885 512 D CB -0.613 40.181 40.800 -0.011 0.000 0.915 512 D HN 0.511 nan 8.370 nan 0.000 0.460 513 I N 0.117 120.666 120.570 -0.035 0.000 2.248 513 I HA -0.360 3.737 4.170 -0.122 0.000 0.248 513 I C 1.428 177.550 176.117 0.009 0.000 1.107 513 I CA 1.312 62.606 61.300 -0.009 0.000 1.373 513 I CB -0.048 37.943 38.000 -0.014 0.000 1.055 513 I HN 0.273 nan 8.210 nan 0.000 0.418 514 c N 0.111 118.727 118.600 0.027 0.000 2.432 514 c HA -0.073 4.423 4.570 -0.122 0.000 0.280 514 c C 2.566 176.667 174.090 0.018 0.000 1.353 514 c CA 1.201 57.553 56.329 0.038 0.000 1.766 514 c CB -1.799 40.749 42.510 0.063 0.000 1.924 514 c HN 0.685 nan 8.230 nan 0.000 0.509 515 T N -2.124 112.437 114.554 0.011 0.000 3.107 515 T HA 0.343 4.620 4.350 -0.122 0.000 0.249 515 T C 0.269 174.974 174.700 0.009 0.000 1.096 515 T CA 0.173 62.279 62.100 0.009 0.000 1.012 515 T CB -0.217 68.654 68.868 0.006 0.000 0.977 515 T HN 0.350 nan 8.240 nan 0.000 0.527 516 L N 2.272 123.500 121.223 0.008 0.000 2.387 516 L HA 0.530 4.797 4.340 -0.122 0.000 0.266 516 L C 0.746 177.619 176.870 0.005 0.000 1.059 516 L CA -1.125 53.721 54.840 0.009 0.000 0.801 516 L CB 1.432 43.497 42.059 0.011 0.000 1.223 516 L HN 0.238 nan 8.230 nan 0.000 0.456 517 S N -0.730 114.974 115.700 0.007 0.000 2.585 517 S HA 0.040 4.437 4.470 -0.122 0.000 0.273 517 S C 0.801 175.397 174.600 -0.007 0.000 1.339 517 S CA -0.504 57.697 58.200 0.002 0.000 1.028 517 S CB 1.356 64.561 63.200 0.008 0.000 0.906 517 S HN 0.684 nan 8.310 nan 0.000 0.528 518 E N 2.073 122.262 120.200 -0.018 0.000 2.114 518 E HA -0.226 4.050 4.350 -0.122 0.000 0.199 518 E C 1.723 178.305 176.600 -0.031 0.000 1.008 518 E CA 2.016 58.393 56.400 -0.038 0.000 0.810 518 E CB -0.286 29.382 29.700 -0.052 0.000 0.739 518 E HN 0.780 nan 8.360 nan 0.000 0.456 519 K N -0.060 120.334 120.400 -0.010 0.000 2.015 519 K HA -0.250 3.996 4.320 -0.122 0.000 0.216 519 K C 2.242 178.855 176.600 0.022 0.000 1.052 519 K CA 2.175 58.469 56.287 0.012 0.000 0.937 519 K CB -0.220 32.292 32.500 0.021 0.000 0.719 519 K HN 0.219 nan 8.250 nan 0.000 0.446 520 E N -0.320 119.891 120.200 0.019 0.000 2.216 520 E HA -0.097 4.180 4.350 -0.122 0.000 0.192 520 E C 2.042 178.654 176.600 0.020 0.000 0.988 520 E CA 0.360 56.775 56.400 0.026 0.000 0.834 520 E CB 0.122 29.836 29.700 0.025 0.000 0.772 520 E HN 0.178 nan 8.360 nan 0.000 0.479 521 R N 0.872 121.373 120.500 0.002 0.000 2.073 521 R HA -0.133 4.134 4.340 -0.122 0.000 0.229 521 R C 2.076 178.375 176.300 -0.001 0.000 1.120 521 R CA 1.320 57.410 56.100 -0.016 0.000 0.967 521 R CB 0.082 30.363 30.300 -0.032 0.000 0.862 521 R HN 0.185 nan 8.270 nan 0.000 0.436 522 Q N 0.087 119.893 119.800 0.010 0.000 2.135 522 Q HA -0.161 4.106 4.340 -0.122 0.000 0.204 522 Q C 2.092 178.180 176.000 0.147 0.000 0.981 522 Q CA 1.630 57.489 55.803 0.093 0.000 0.856 522 Q CB -0.076 28.714 28.738 0.086 0.000 0.902 522 Q HN 0.416 nan 8.270 nan 0.000 0.425 523 I N 0.517 121.143 120.570 0.093 0.000 2.315 523 I HA -0.258 3.839 4.170 -0.122 0.000 0.248 523 I C 2.110 178.273 176.117 0.077 0.000 1.117 523 I CA 0.897 62.247 61.300 0.082 0.000 1.404 523 I CB -0.163 37.874 38.000 0.062 0.000 1.071 523 I HN 0.079 nan 8.210 nan 0.000 0.419 524 K N 1.067 121.504 120.400 0.062 0.000 2.155 524 K HA -0.102 4.145 4.320 -0.122 0.000 0.203 524 K C 2.014 178.654 176.600 0.067 0.000 1.052 524 K CA 1.113 57.447 56.287 0.079 0.000 0.948 524 K CB -0.184 32.334 32.500 0.031 0.000 0.728 524 K HN 0.364 nan 8.250 nan 0.000 0.448 525 K N 0.968 121.387 120.400 0.032 0.000 2.057 525 K HA -0.110 4.136 4.320 -0.122 0.000 0.206 525 K C 2.264 178.904 176.600 0.067 0.000 1.050 525 K CA 1.117 57.431 56.287 0.045 0.000 0.935 525 K CB -0.010 32.564 32.500 0.122 0.000 0.715 525 K HN 0.183 nan 8.250 nan 0.000 0.439 526 Q N 0.001 119.857 119.800 0.092 0.000 2.167 526 Q HA -0.098 4.169 4.340 -0.122 0.000 0.202 526 Q C 1.944 177.971 176.000 0.044 0.000 0.970 526 Q CA 1.506 57.343 55.803 0.056 0.000 0.855 526 Q CB 0.010 28.784 28.738 0.058 0.000 0.911 526 Q HN 0.312 nan 8.270 nan 0.000 0.438 527 T N 0.903 115.496 114.554 0.064 0.000 2.674 527 T HA -0.199 4.078 4.350 -0.122 0.000 0.265 527 T C 1.949 176.704 174.700 0.091 0.000 1.039 527 T CA 1.277 63.419 62.100 0.071 0.000 1.150 527 T CB -0.434 68.487 68.868 0.089 0.000 0.864 527 T HN 0.410 nan 8.240 nan 0.000 0.427 528 A N 1.616 124.495 122.820 0.098 0.000 1.903 528 A HA -0.138 4.109 4.320 -0.122 0.000 0.219 528 A C 2.273 179.850 177.584 -0.011 0.000 1.191 528 A CA 1.815 53.880 52.037 0.046 0.000 0.638 528 A CB -1.062 17.801 19.000 -0.229 0.000 0.823 528 A HN 0.399 nan 8.150 nan 0.000 0.451 529 L N -0.082 121.135 121.223 -0.010 0.000 2.013 529 L HA -0.150 4.117 4.340 -0.122 0.000 0.212 529 L C 2.442 179.331 176.870 0.033 0.000 1.073 529 L CA 2.203 57.050 54.840 0.012 0.000 0.753 529 L CB -0.639 41.427 42.059 0.011 0.000 0.890 529 L HN 0.176 nan 8.230 nan 0.000 0.432 530 V N -0.187 119.750 119.914 0.038 0.000 2.407 530 V HA -0.214 3.833 4.120 -0.122 0.000 0.248 530 V C 2.621 178.744 176.094 0.048 0.000 1.055 530 V CA 1.689 64.008 62.300 0.030 0.000 1.049 530 V CB -0.690 31.142 31.823 0.016 0.000 0.662 530 V HN 0.469 nan 8.190 nan 0.000 0.455 531 E N 0.156 120.420 120.200 0.106 0.000 2.051 531 E HA -0.164 4.112 4.350 -0.122 0.000 0.192 531 E C 2.272 179.002 176.600 0.217 0.000 0.991 531 E CA 1.094 57.590 56.400 0.159 0.000 0.799 531 E CB -0.382 29.540 29.700 0.369 0.000 0.748 531 E HN 0.501 nan 8.360 nan 0.000 0.449 532 L N 0.632 121.973 121.223 0.197 0.000 2.013 532 L HA -0.205 4.062 4.340 -0.122 0.000 0.212 532 L C 2.608 179.570 176.870 0.153 0.000 1.073 532 L CA 1.025 55.960 54.840 0.158 0.000 0.753 532 L CB -0.622 41.454 42.059 0.028 0.000 0.890 532 L HN 0.001 nan 8.230 nan 0.000 0.432 533 V N -0.327 119.644 119.914 0.094 0.000 2.407 533 V HA -0.273 3.773 4.120 -0.122 0.000 0.248 533 V C 2.565 178.721 176.094 0.103 0.000 1.055 533 V CA 1.571 63.920 62.300 0.082 0.000 1.049 533 V CB -0.605 31.243 31.823 0.042 0.000 0.662 533 V HN 0.414 nan 8.190 nan 0.000 0.455 534 K N -0.670 119.765 120.400 0.059 0.000 2.063 534 K HA -0.175 4.072 4.320 -0.122 0.000 0.208 534 K C 2.063 178.720 176.600 0.095 0.000 1.048 534 K CA 1.508 57.841 56.287 0.077 0.000 0.928 534 K CB -0.505 31.956 32.500 -0.065 0.000 0.713 534 K HN 0.577 nan 8.250 nan 0.000 0.442 535 H N -0.072 119.098 119.070 0.166 0.000 2.462 535 H HA 0.082 4.565 4.556 -0.121 0.000 0.292 535 H C 0.453 175.860 175.328 0.131 0.000 1.049 535 H CA 0.846 56.979 56.048 0.142 0.000 1.334 535 H CB 0.369 30.220 29.762 0.148 0.000 1.404 535 H HN 0.015 nan 8.280 nan 0.000 0.544 536 K N 0.338 120.874 120.400 0.227 0.000 2.896 536 K HA 0.128 4.374 4.320 -0.122 0.000 0.228 536 K C -2.286 174.391 176.600 0.128 0.000 1.151 536 K CA -1.206 55.179 56.287 0.163 0.000 1.035 536 K CB 1.800 34.390 32.500 0.150 0.000 1.263 536 K HN -0.041 nan 8.250 nan 0.000 0.574 537 P HA -0.044 nan 4.420 nan 0.000 0.216 537 P C 0.636 177.985 177.300 0.082 0.000 1.151 537 P CA 0.682 63.848 63.100 0.110 0.000 0.863 537 P CB 0.380 32.173 31.700 0.154 0.000 0.790 538 K N 0.259 120.708 120.400 0.082 0.000 2.077 538 K HA -0.098 4.149 4.320 -0.122 0.000 0.213 538 K C 1.152 177.780 176.600 0.047 0.000 1.051 538 K CA 1.501 57.824 56.287 0.059 0.000 0.929 538 K CB -0.571 31.959 32.500 0.051 0.000 0.715 538 K HN 0.148 nan 8.250 nan 0.000 0.451 539 A N 1.061 123.911 122.820 0.050 0.000 2.292 539 A HA 0.377 4.623 4.320 -0.122 0.000 0.319 539 A C -0.199 177.413 177.584 0.046 0.000 1.206 539 A CA -0.399 51.663 52.037 0.042 0.000 0.835 539 A CB 0.752 19.775 19.000 0.038 0.000 1.164 539 A HN 0.269 nan 8.150 nan 0.000 0.505 540 T N 0.015 114.591 114.554 0.038 0.000 4.667 540 T HA 0.174 4.451 4.350 -0.122 0.000 0.229 540 T C 0.030 174.747 174.700 0.029 0.000 0.931 540 T CA -0.752 61.370 62.100 0.037 0.000 1.277 540 T CB -0.343 68.547 68.868 0.037 0.000 0.815 540 T HN 0.541 nan 8.240 nan 0.000 0.534 541 K N 1.913 122.329 120.400 0.027 0.000 2.948 541 K HA 0.235 4.481 4.320 -0.122 0.000 0.323 541 K C 1.927 178.542 176.600 0.025 0.000 1.015 541 K CA 0.090 56.391 56.287 0.024 0.000 1.117 541 K CB 0.229 32.742 32.500 0.021 0.000 1.264 541 K HN 0.600 nan 8.250 nan 0.000 0.486 542 E N 1.114 121.328 120.200 0.023 0.000 2.147 542 E HA -0.317 3.960 4.350 -0.122 0.000 0.199 542 E C 1.618 178.234 176.600 0.026 0.000 1.005 542 E CA 1.712 58.127 56.400 0.025 0.000 0.810 542 E CB -0.500 29.213 29.700 0.022 0.000 0.736 542 E HN 0.508 nan 8.360 nan 0.000 0.460 543 Q N 1.099 120.914 119.800 0.024 0.000 2.315 543 Q HA -0.249 4.017 4.340 -0.122 0.000 0.213 543 Q C 2.232 178.250 176.000 0.030 0.000 0.994 543 Q CA 1.960 57.777 55.803 0.024 0.000 0.906 543 Q CB -0.715 28.037 28.738 0.023 0.000 0.918 543 Q HN 0.462 nan 8.270 nan 0.000 0.427 544 L N 0.677 121.920 121.223 0.034 0.000 1.973 544 L HA -0.125 4.142 4.340 -0.122 0.000 0.208 544 L C 2.747 179.642 176.870 0.042 0.000 1.073 544 L CA 1.746 56.610 54.840 0.039 0.000 0.746 544 L CB -0.506 41.573 42.059 0.034 0.000 0.891 544 L HN 0.190 nan 8.230 nan 0.000 0.433 545 K N 0.102 120.523 120.400 0.035 0.000 2.360 545 K HA -0.143 4.104 4.320 -0.122 0.000 0.201 545 K C 1.924 178.550 176.600 0.044 0.000 1.046 545 K CA 0.944 57.254 56.287 0.038 0.000 0.945 545 K CB 0.070 32.590 32.500 0.033 0.000 0.750 545 K HN 0.316 nan 8.250 nan 0.000 0.464 546 A N 0.226 123.068 122.820 0.037 0.000 1.843 546 A HA -0.063 4.183 4.320 -0.122 0.000 0.213 546 A C 2.035 179.638 177.584 0.032 0.000 1.202 546 A CA 1.223 53.278 52.037 0.030 0.000 0.607 546 A CB -0.486 18.525 19.000 0.019 0.000 0.847 546 A HN 0.126 nan 8.150 nan 0.000 0.445 547 V N 0.391 120.324 119.914 0.031 0.000 2.970 547 V HA -0.187 3.860 4.120 -0.122 0.000 0.260 547 V C 2.499 178.647 176.094 0.091 0.000 1.100 547 V CA 1.341 63.653 62.300 0.019 0.000 1.122 547 V CB -0.695 31.133 31.823 0.008 0.000 0.721 547 V HN 0.437 nan 8.190 nan 0.000 0.483 548 M N 0.131 119.807 119.600 0.126 0.000 2.080 548 M HA -0.157 4.249 4.480 -0.122 0.000 0.260 548 M C 1.967 178.376 176.300 0.183 0.000 1.068 548 M CA 1.712 57.125 55.300 0.188 0.000 1.109 548 M CB -1.221 31.455 32.600 0.127 0.000 1.342 548 M HN 0.354 nan 8.290 nan 0.000 0.405 549 D N -0.095 120.375 120.400 0.116 0.000 2.182 549 D HA -0.190 4.376 4.640 -0.122 0.000 0.201 549 D C 1.565 177.914 176.300 0.081 0.000 0.986 549 D CA 1.311 55.370 54.000 0.098 0.000 0.847 549 D CB -0.481 40.357 40.800 0.064 0.000 0.942 549 D HN 0.453 nan 8.370 nan 0.000 0.467 550 D N -1.398 119.021 120.400 0.031 0.000 2.219 550 D HA -0.103 4.464 4.640 -0.122 0.000 0.205 550 D C 1.544 177.803 176.300 -0.068 0.000 0.970 550 D CA 0.614 54.575 54.000 -0.064 0.000 0.851 550 D CB 0.069 40.755 40.800 -0.191 0.000 0.943 550 D HN 0.060 nan 8.370 nan 0.000 0.488 551 F N 0.292 120.295 119.950 0.089 0.000 2.220 551 F HA 0.233 4.688 4.527 -0.121 0.000 0.290 551 F C 2.383 178.295 175.800 0.188 0.000 1.080 551 F CA 0.773 58.870 58.000 0.160 0.000 1.318 551 F CB -0.767 38.322 39.000 0.148 0.000 1.063 551 F HN -0.073 nan 8.300 nan 0.000 0.498 552 A N 0.147 123.156 122.820 0.315 0.000 1.948 552 A HA -0.174 4.072 4.320 -0.122 0.000 0.220 552 A C 2.373 180.040 177.584 0.140 0.000 1.177 552 A CA 2.088 54.241 52.037 0.193 0.000 0.636 552 A CB -1.320 17.779 19.000 0.164 0.000 0.815 552 A HN 0.326 nan 8.150 nan 0.000 0.449 553 A N -1.260 121.643 122.820 0.138 0.000 1.873 553 A HA 0.001 4.248 4.320 -0.122 0.000 0.215 553 A C 2.052 179.695 177.584 0.098 0.000 1.186 553 A CA 1.482 53.574 52.037 0.092 0.000 0.616 553 A CB -0.760 18.285 19.000 0.075 0.000 0.823 553 A HN 0.775 nan 8.150 nan 0.000 0.442 554 F N 0.771 120.724 119.950 0.004 0.000 2.202 554 F HA -0.165 4.288 4.527 -0.123 0.000 0.301 554 F C 2.035 177.815 175.800 -0.032 0.000 1.082 554 F CA 1.769 59.757 58.000 -0.020 0.000 1.313 554 F CB -0.166 38.842 39.000 0.013 0.000 1.024 554 F HN 0.034 nan 8.300 nan 0.000 0.495 555 V N 0.558 120.492 119.914 0.034 0.000 2.244 555 V HA -0.238 3.809 4.120 -0.122 0.000 0.244 555 V C 2.418 178.444 176.094 -0.113 0.000 1.042 555 V CA 2.223 64.485 62.300 -0.063 0.000 1.006 555 V CB -0.613 31.221 31.823 0.018 0.000 0.641 555 V HN 0.255 nan 8.190 nan 0.000 0.446 556 E N -0.030 120.136 120.200 -0.056 0.000 2.152 556 E HA -0.197 4.080 4.350 -0.122 0.000 0.192 556 E C 2.141 178.693 176.600 -0.079 0.000 0.983 556 E CA 0.907 57.278 56.400 -0.048 0.000 0.818 556 E CB -0.208 29.480 29.700 -0.020 0.000 0.758 556 E HN 0.546 nan 8.360 nan 0.000 0.467 557 K N 0.451 120.783 120.400 -0.113 0.000 2.057 557 K HA -0.082 4.164 4.320 -0.122 0.000 0.206 557 K C 2.014 178.497 176.600 -0.194 0.000 1.050 557 K CA 1.242 57.454 56.287 -0.126 0.000 0.935 557 K CB -0.026 32.410 32.500 -0.107 0.000 0.715 557 K HN 0.086 nan 8.250 nan 0.000 0.439 558 c N 0.180 118.561 118.600 -0.365 0.000 2.481 558 c HA 0.037 4.534 4.570 -0.122 0.000 0.275 558 c C 2.246 176.234 174.090 -0.170 0.000 1.419 558 c CA -0.014 56.039 56.329 -0.459 0.000 1.773 558 c CB -0.774 41.020 42.510 -1.193 0.000 1.862 558 c HN 0.605 nan 8.230 nan 0.000 0.530 559 c N 0.576 119.128 118.600 -0.081 0.000 2.626 559 c HA 0.101 4.597 4.570 -0.122 0.000 0.266 559 c C 1.574 175.664 174.090 -0.000 0.000 1.317 559 c CA 0.498 56.842 56.329 0.024 0.000 1.716 559 c CB -1.523 41.010 42.510 0.039 0.000 1.819 559 c HN 0.594 nan 8.230 nan 0.000 0.578 560 K N -0.290 120.092 120.400 -0.031 0.000 2.734 560 K HA 0.256 4.502 4.320 -0.122 0.000 0.200 560 K C 1.073 177.656 176.600 -0.028 0.000 1.120 560 K CA 0.046 56.320 56.287 -0.021 0.000 1.067 560 K CB 0.563 33.050 32.500 -0.022 0.000 0.771 560 K HN 0.226 nan 8.250 nan 0.000 0.481 561 A N 1.144 123.941 122.820 -0.039 0.000 2.132 561 A HA 0.016 4.262 4.320 -0.122 0.000 0.213 561 A C -0.171 177.405 177.584 -0.013 0.000 1.154 561 A CA 0.396 52.409 52.037 -0.041 0.000 0.753 561 A CB -0.006 18.947 19.000 -0.079 0.000 0.826 561 A HN 0.385 nan 8.150 nan 0.000 0.469 562 D N 1.153 121.555 120.400 0.003 0.000 2.956 562 D HA -0.102 4.465 4.640 -0.122 0.000 0.240 562 D C -0.944 175.369 176.300 0.021 0.000 1.141 562 D CA 1.658 55.667 54.000 0.015 0.000 0.820 562 D CB -1.174 39.631 40.800 0.009 0.000 0.988 562 D HN 0.791 nan 8.370 nan 0.000 0.417 563 D N -1.417 119.005 120.400 0.036 0.000 2.717 563 D HA 0.138 4.704 4.640 -0.122 0.000 0.223 563 D C -0.395 175.953 176.300 0.079 0.000 1.240 563 D CA -0.908 53.121 54.000 0.047 0.000 0.801 563 D CB 1.044 41.865 40.800 0.035 0.000 1.556 563 D HN -0.269 nan 8.370 nan 0.000 0.462 564 K N 1.737 122.181 120.400 0.073 0.000 2.121 564 K HA 0.104 4.351 4.320 -0.122 0.000 0.235 564 K C -0.137 176.534 176.600 0.119 0.000 1.200 564 K CA 0.010 56.346 56.287 0.081 0.000 1.115 564 K CB -0.662 31.872 32.500 0.057 0.000 1.474 564 K HN 0.631 nan 8.250 nan 0.000 0.295 565 E N -0.620 119.692 120.200 0.186 0.000 2.539 565 E HA -0.254 4.023 4.350 -0.122 0.000 0.253 565 E C 0.144 176.908 176.600 0.273 0.000 1.145 565 E CA 0.913 57.488 56.400 0.292 0.000 0.738 565 E CB -1.655 28.156 29.700 0.184 0.000 1.308 565 E HN 0.494 nan 8.360 nan 0.000 0.409 566 T N -0.776 113.894 114.554 0.192 0.000 2.781 566 T HA -0.137 4.140 4.350 -0.122 0.000 0.252 566 T C 2.209 176.994 174.700 0.141 0.000 1.039 566 T CA 1.242 63.424 62.100 0.138 0.000 1.147 566 T CB -0.434 68.484 68.868 0.083 0.000 0.865 566 T HN 0.679 nan 8.240 nan 0.000 0.423 567 c N 0.969 119.613 118.600 0.073 0.000 2.419 567 c HA 0.076 4.573 4.570 -0.122 0.000 0.281 567 c C 2.324 176.485 174.090 0.117 0.000 1.336 567 c CA -0.222 56.123 56.329 0.026 0.000 1.770 567 c CB -2.215 40.210 42.510 -0.142 0.000 1.929 567 c HN 0.308 nan 8.230 nan 0.000 0.509 568 F N 2.351 122.406 119.950 0.176 0.000 2.171 568 F HA 0.024 4.477 4.527 -0.123 0.000 0.300 568 F C 2.712 178.695 175.800 0.306 0.000 1.090 568 F CA 1.855 60.037 58.000 0.303 0.000 1.293 568 F CB -0.581 38.558 39.000 0.231 0.000 1.013 568 F HN 0.315 nan 8.300 nan 0.000 0.486 569 A N -0.920 122.127 122.820 0.379 0.000 1.956 569 A HA 0.014 4.261 4.320 -0.122 0.000 0.212 569 A C 2.135 179.834 177.584 0.192 0.000 1.188 569 A CA 0.754 52.944 52.037 0.253 0.000 0.675 569 A CB -0.180 18.941 19.000 0.202 0.000 0.845 569 A HN 0.180 nan 8.150 nan 0.000 0.455 570 E N 0.311 120.617 120.200 0.176 0.000 2.038 570 E HA -0.068 4.208 4.350 -0.122 0.000 0.190 570 E C 1.621 178.297 176.600 0.126 0.000 0.967 570 E CA 0.893 57.368 56.400 0.124 0.000 0.816 570 E CB -0.390 29.369 29.700 0.098 0.000 0.784 570 E HN 0.512 nan 8.360 nan 0.000 0.456 571 E N 0.527 120.826 120.200 0.164 0.000 2.358 571 E HA -0.007 4.269 4.350 -0.122 0.000 0.195 571 E C 1.959 178.679 176.600 0.200 0.000 1.010 571 E CA 0.668 57.175 56.400 0.178 0.000 0.856 571 E CB -0.371 29.451 29.700 0.203 0.000 0.795 571 E HN 0.308 nan 8.360 nan 0.000 0.504 572 G N 1.089 110.066 108.800 0.295 0.000 2.534 572 G HA2 -0.222 3.664 3.960 -0.122 0.000 0.217 572 G HA3 -0.222 3.664 3.960 -0.122 0.000 0.217 572 G C 1.750 176.646 174.900 -0.006 0.000 1.128 572 G CA 0.415 45.554 45.100 0.065 0.000 0.784 572 G HN 0.151 nan 8.290 nan 0.000 0.542 573 K N 0.554 120.989 120.400 0.058 0.000 2.211 573 K HA 0.178 4.424 4.320 -0.122 0.000 0.201 573 K C 2.367 178.970 176.600 0.004 0.000 1.052 573 K CA 0.351 56.665 56.287 0.046 0.000 0.973 573 K CB 0.036 32.575 32.500 0.064 0.000 0.766 573 K HN -0.048 nan 8.250 nan 0.000 0.466 574 K N 0.598 120.991 120.400 -0.012 0.000 2.097 574 K HA -0.073 4.173 4.320 -0.122 0.000 0.206 574 K C 1.882 178.434 176.600 -0.080 0.000 1.049 574 K CA 1.180 57.447 56.287 -0.034 0.000 0.933 574 K CB -0.194 32.294 32.500 -0.020 0.000 0.717 574 K HN 0.222 nan 8.250 nan 0.000 0.442 575 L N 0.637 121.770 121.223 -0.151 0.000 2.034 575 L HA -0.105 4.161 4.340 -0.122 0.000 0.203 575 L C 2.569 179.325 176.870 -0.190 0.000 1.074 575 L CA 0.834 55.525 54.840 -0.248 0.000 0.748 575 L CB -1.376 40.388 42.059 -0.493 0.000 0.905 575 L HN -0.083 nan 8.230 nan 0.000 0.439 576 V N -1.040 118.805 119.914 -0.116 0.000 2.317 576 V HA -0.311 3.735 4.120 -0.122 0.000 0.251 576 V C 2.592 178.790 176.094 0.173 0.000 1.065 576 V CA 1.924 64.274 62.300 0.084 0.000 1.049 576 V CB -1.486 30.508 31.823 0.285 0.000 0.651 576 V HN 0.367 nan 8.190 nan 0.000 0.450 577 A N 0.586 123.439 122.820 0.055 0.000 1.897 577 A HA 0.236 4.483 4.320 -0.122 0.000 0.215 577 A C 2.525 180.073 177.584 -0.061 0.000 1.181 577 A CA 2.005 54.010 52.037 -0.053 0.000 0.620 577 A CB -1.067 17.880 19.000 -0.089 0.000 0.821 577 A HN 1.011 nan 8.150 nan 0.000 0.443 578 A N 0.596 123.380 122.820 -0.059 0.000 1.986 578 A HA -0.152 4.095 4.320 -0.122 0.000 0.220 578 A C 2.437 179.990 177.584 -0.051 0.000 1.171 578 A CA 2.446 54.445 52.037 -0.064 0.000 0.640 578 A CB -0.899 18.054 19.000 -0.078 0.000 0.811 578 A HN 0.966 nan 8.150 nan 0.000 0.451 579 S N -1.621 114.053 115.700 -0.043 0.000 2.461 579 S HA -0.100 4.297 4.470 -0.122 0.000 0.228 579 S C 1.864 176.473 174.600 0.015 0.000 1.005 579 S CA 0.903 59.091 58.200 -0.020 0.000 0.942 579 S CB -0.220 62.963 63.200 -0.027 0.000 0.776 579 S HN 0.481 nan 8.310 nan 0.000 0.514 580 Q N 1.470 121.283 119.800 0.021 0.000 2.170 580 Q HA 0.054 4.320 4.340 -0.122 0.000 0.203 580 Q C 2.216 178.207 176.000 -0.015 0.000 0.976 580 Q CA 1.744 57.556 55.803 0.015 0.000 0.858 580 Q CB -0.590 28.090 28.738 -0.097 0.000 0.907 580 Q HN 0.731 nan 8.270 nan 0.000 0.433 581 A N -0.058 122.743 122.820 -0.032 0.000 1.887 581 A HA 0.353 4.599 4.320 -0.122 0.000 0.212 581 A C 1.289 178.864 177.584 -0.015 0.000 1.198 581 A CA 0.871 52.892 52.037 -0.027 0.000 0.628 581 A CB -0.421 18.556 19.000 -0.037 0.000 0.847 581 A HN 0.338 nan 8.150 nan 0.000 0.449 582 A N 0.000 122.809 122.820 -0.018 0.000 2.254 582 A HA 0.000 4.247 4.320 -0.122 0.000 0.244 582 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 582 A CB 0.000 18.985 19.000 -0.025 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486