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 1gg9_1_B DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VNARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA 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 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.285 176.300 -0.026 0.000 2.045 27 D CA 0.000 53.988 54.000 -0.021 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.021 0.000 0.688 28 S N 0.435 116.114 115.700 -0.035 0.000 2.944 28 S HA 0.134 4.510 4.470 -0.157 0.000 0.151 28 S C 0.074 174.637 174.600 -0.062 0.000 0.679 28 S CA -0.282 57.889 58.200 -0.048 0.000 0.788 28 S CB -0.826 62.350 63.200 -0.041 0.000 1.439 28 S HN 0.370 nan 8.310 nan 0.000 0.533 29 L N 1.622 122.799 121.223 -0.075 0.000 2.416 29 L HA 0.458 4.704 4.340 -0.157 0.000 0.216 29 L C 1.546 178.338 176.870 -0.131 0.000 1.098 29 L CA 0.573 55.364 54.840 -0.081 0.000 0.840 29 L CB -0.335 41.687 42.059 -0.062 0.000 0.981 29 L HN 0.650 nan 8.230 nan 0.000 0.462 30 A N 1.543 124.231 122.820 -0.220 0.000 2.466 30 A HA 0.329 4.555 4.320 -0.157 0.000 0.238 30 A C -2.036 175.392 177.584 -0.260 0.000 1.074 30 A CA -0.874 50.904 52.037 -0.431 0.000 0.774 30 A CB -0.628 17.829 19.000 -0.906 0.000 1.015 30 A HN -0.012 nan 8.150 nan 0.000 0.498 31 P HA 0.120 nan 4.420 nan 0.000 0.271 31 P C 0.083 177.365 177.300 -0.030 0.000 1.216 31 P CA -0.021 63.043 63.100 -0.060 0.000 0.776 31 P CB 0.867 32.575 31.700 0.012 0.000 0.881 32 E N 1.675 121.867 120.200 -0.012 0.000 2.204 32 E HA -0.187 4.069 4.350 -0.157 0.000 0.194 32 E C 1.216 177.835 176.600 0.031 0.000 0.989 32 E CA 1.398 57.800 56.400 0.004 0.000 0.824 32 E CB -0.508 29.192 29.700 -0.001 0.000 0.756 32 E HN 0.521 nan 8.360 nan 0.000 0.477 33 D N -1.277 119.147 120.400 0.040 0.000 2.348 33 D HA -0.020 4.526 4.640 -0.157 0.000 0.216 33 D C 1.242 177.590 176.300 0.081 0.000 0.970 33 D CA 0.953 54.983 54.000 0.049 0.000 0.889 33 D CB -0.478 40.346 40.800 0.039 0.000 0.912 33 D HN 0.191 nan 8.370 nan 0.000 0.524 34 G N 0.212 109.101 108.800 0.148 0.000 2.176 34 G HA2 -0.319 3.547 3.960 -0.157 0.000 0.252 34 G HA3 -0.319 3.547 3.960 -0.157 0.000 0.252 34 G C 0.855 175.847 174.900 0.154 0.000 1.024 34 G CA 0.823 46.062 45.100 0.232 0.000 0.755 34 G HN 0.745 nan 8.290 nan 0.000 0.507 35 S N 0.139 115.945 115.700 0.176 0.000 2.650 35 S HA 0.051 4.427 4.470 -0.157 0.000 0.219 35 S C 1.811 176.476 174.600 0.107 0.000 0.960 35 S CA 0.908 59.163 58.200 0.092 0.000 0.925 35 S CB -0.412 62.829 63.200 0.070 0.000 0.775 35 S HN 0.917 nan 8.310 nan 0.000 0.525 36 H N 0.384 119.462 119.070 0.013 0.000 2.512 36 H HA 0.338 4.800 4.556 -0.157 0.000 0.279 36 H C 0.594 175.934 175.328 0.021 0.000 0.999 36 H CA 0.020 56.077 56.048 0.014 0.000 1.283 36 H CB -0.274 29.496 29.762 0.012 0.000 1.421 36 H HN 0.244 nan 8.280 nan 0.000 0.554 37 R N 2.572 122.708 120.500 -0.607 0.000 2.255 37 R HA 0.352 4.598 4.340 -0.157 0.000 0.326 37 R C -2.520 173.680 176.300 -0.167 0.000 0.986 37 R CA -2.088 53.768 56.100 -0.408 0.000 0.847 37 R CB 0.847 30.815 30.300 -0.554 0.000 1.111 37 R HN 0.170 nan 8.270 nan 0.000 0.452 38 P HA 0.132 nan 4.420 nan 0.000 0.271 38 P C -1.007 176.284 177.300 -0.015 0.000 1.216 38 P CA -0.335 62.753 63.100 -0.020 0.000 0.776 38 P CB 0.988 32.701 31.700 0.023 0.000 0.881 39 A N 2.670 125.488 122.820 -0.003 0.000 2.462 39 A HA 0.412 4.638 4.320 -0.157 0.000 0.243 39 A C 0.833 178.428 177.584 0.017 0.000 1.076 39 A CA 0.076 52.115 52.037 0.003 0.000 0.773 39 A CB -0.317 18.688 19.000 0.008 0.000 1.010 39 A HN 0.563 nan 8.150 nan 0.000 0.493 40 A N 2.784 125.615 122.820 0.017 0.000 3.202 40 A HA 0.503 4.729 4.320 -0.157 0.000 0.258 40 A C 0.278 177.880 177.584 0.030 0.000 1.572 40 A CA 0.057 52.109 52.037 0.026 0.000 1.241 40 A CB -0.829 18.184 19.000 0.021 0.000 1.127 40 A HN 0.873 nan 8.150 nan 0.000 0.648 41 E N -0.265 119.955 120.200 0.034 0.000 2.392 41 E HA 0.484 4.740 4.350 -0.157 0.000 0.279 41 E C -3.246 173.378 176.600 0.039 0.000 0.964 41 E CA -2.514 53.907 56.400 0.035 0.000 0.777 41 E CB 1.287 31.003 29.700 0.026 0.000 1.249 41 E HN 0.071 nan 8.360 nan 0.000 0.449 42 P HA 0.016 nan 4.420 nan 0.000 0.263 42 P C -0.514 176.800 177.300 0.023 0.000 1.195 42 P CA 0.321 63.441 63.100 0.034 0.000 0.762 42 P CB 0.443 32.153 31.700 0.017 0.000 0.799 43 T N 0.942 115.507 114.554 0.019 0.000 2.909 43 T HA 0.609 4.865 4.350 -0.157 0.000 0.299 43 T C -2.925 171.758 174.700 -0.028 0.000 1.073 43 T CA -2.627 59.478 62.100 0.008 0.000 0.999 43 T CB 1.848 70.725 68.868 0.015 0.000 1.098 43 T HN 0.128 nan 8.240 nan 0.000 0.477 44 P HA 0.337 nan 4.420 nan 0.000 0.274 44 P C -2.769 174.405 177.300 -0.210 0.000 1.237 44 P CA -1.620 61.347 63.100 -0.221 0.000 0.793 44 P CB -0.889 30.748 31.700 -0.106 0.000 0.977 45 P HA 0.013 nan 4.420 nan 0.000 0.261 45 P C 1.112 178.369 177.300 -0.072 0.000 1.183 45 P CA 1.609 64.614 63.100 -0.159 0.000 0.761 45 P CB -0.416 31.177 31.700 -0.179 0.000 0.785 46 G N 3.049 111.836 108.800 -0.021 0.000 2.225 46 G HA2 -0.346 3.520 3.960 -0.157 0.000 0.254 46 G HA3 -0.346 3.520 3.960 -0.157 0.000 0.254 46 G C 1.165 176.067 174.900 0.003 0.000 0.988 46 G CA 0.415 45.516 45.100 0.000 0.000 0.625 46 G HN 0.662 nan 8.290 nan 0.000 0.527 47 A N -1.019 121.798 122.820 -0.004 0.000 1.929 47 A HA 0.389 4.615 4.320 -0.157 0.000 0.216 47 A C 1.379 178.970 177.584 0.011 0.000 1.176 47 A CA 2.050 54.090 52.037 0.005 0.000 0.628 47 A CB -0.023 18.978 19.000 0.002 0.000 0.816 47 A HN 0.514 nan 8.150 nan 0.000 0.444 48 Q N -1.117 118.693 119.800 0.017 0.000 2.495 48 Q HA 0.442 4.688 4.340 -0.157 0.000 0.287 48 Q C -2.958 173.060 176.000 0.030 0.000 1.078 48 Q CA -2.114 53.702 55.803 0.022 0.000 0.793 48 Q CB 0.963 29.717 28.738 0.027 0.000 1.459 48 Q HN 0.081 nan 8.270 nan 0.000 0.422 49 P HA 0.046 nan 4.420 nan 0.000 0.268 49 P C -0.231 177.103 177.300 0.056 0.000 1.205 49 P CA 0.040 63.157 63.100 0.028 0.000 0.771 49 P CB 0.215 31.928 31.700 0.022 0.000 0.858 50 T N -0.472 114.115 114.554 0.055 0.000 2.813 50 T HA 0.608 4.864 4.350 -0.157 0.000 0.297 50 T C 0.004 174.794 174.700 0.150 0.000 1.036 50 T CA -0.504 61.680 62.100 0.140 0.000 1.044 50 T CB 0.689 69.577 68.868 0.035 0.000 0.993 50 T HN 0.579 nan 8.240 nan 0.000 0.535 51 A N 1.764 124.774 122.820 0.316 0.000 2.594 51 A HA 0.784 5.010 4.320 -0.157 0.000 0.291 51 A C -3.019 174.828 177.584 0.438 0.000 1.105 51 A CA -2.055 50.142 52.037 0.268 0.000 0.694 51 A CB 0.678 19.783 19.000 0.174 0.000 1.291 51 A HN 0.668 nan 8.150 nan 0.000 0.410 52 P HA 0.109 nan 4.420 nan 0.000 0.265 52 P C 1.264 178.710 177.300 0.245 0.000 1.187 52 P CA 0.955 64.266 63.100 0.352 0.000 0.766 52 P CB 0.488 32.318 31.700 0.216 0.000 0.820 53 G N 2.518 111.424 108.800 0.177 0.000 2.513 53 G HA2 -0.329 3.537 3.960 -0.157 0.000 0.219 53 G HA3 -0.329 3.537 3.960 -0.157 0.000 0.219 53 G C 1.553 176.467 174.900 0.023 0.000 1.160 53 G CA 1.294 46.409 45.100 0.025 0.000 0.767 53 G HN 0.602 nan 8.290 nan 0.000 0.571 54 S N 0.022 115.740 115.700 0.030 0.000 2.481 54 S HA 0.153 4.529 4.470 -0.157 0.000 0.231 54 S C 2.203 176.820 174.600 0.029 0.000 0.996 54 S CA 0.847 59.053 58.200 0.009 0.000 0.942 54 S CB -0.147 63.051 63.200 -0.003 0.000 0.768 54 S HN 0.329 nan 8.310 nan 0.000 0.520 55 L N -0.152 121.105 121.223 0.056 0.000 2.298 55 L HA 0.258 4.504 4.340 -0.157 0.000 0.209 55 L C 2.658 179.561 176.870 0.054 0.000 1.084 55 L CA 0.771 55.644 54.840 0.055 0.000 0.816 55 L CB -0.330 41.770 42.059 0.069 0.000 0.967 55 L HN 0.245 nan 8.230 nan 0.000 0.460 56 K N 1.534 121.976 120.400 0.070 0.000 2.062 56 K HA 0.034 4.260 4.320 -0.157 0.000 0.205 56 K C 0.699 177.327 176.600 0.048 0.000 1.051 56 K CA 1.322 57.650 56.287 0.069 0.000 0.941 56 K CB 0.097 32.653 32.500 0.094 0.000 0.719 56 K HN 0.139 nan 8.250 nan 0.000 0.440 57 A N 0.915 123.754 122.820 0.033 0.000 3.216 57 A HA 0.360 4.586 4.320 -0.157 0.000 0.321 57 A C -2.225 175.363 177.584 0.006 0.000 1.042 57 A CA -1.065 50.988 52.037 0.027 0.000 0.838 57 A CB 0.724 19.742 19.000 0.031 0.000 1.136 57 A HN 0.164 nan 8.150 nan 0.000 0.483 58 P HA -0.084 nan 4.420 nan 0.000 0.223 58 P C 0.025 177.318 177.300 -0.011 0.000 1.151 58 P CA 1.152 64.250 63.100 -0.002 0.000 0.787 58 P CB 0.341 32.044 31.700 0.006 0.000 0.788 59 D N -1.023 119.374 120.400 -0.004 0.000 2.363 59 D HA 0.044 4.590 4.640 -0.157 0.000 0.214 59 D C 0.111 176.401 176.300 -0.018 0.000 1.093 59 D CA 0.373 54.367 54.000 -0.010 0.000 0.837 59 D CB -0.085 40.716 40.800 0.001 0.000 0.948 59 D HN 0.075 nan 8.370 nan 0.000 0.507 60 T N 1.745 116.285 114.554 -0.023 0.000 2.739 60 T HA 0.350 4.606 4.350 -0.157 0.000 0.298 60 T C 0.455 175.113 174.700 -0.070 0.000 0.929 60 T CA -0.164 61.910 62.100 -0.043 0.000 1.014 60 T CB 0.960 69.798 68.868 -0.049 0.000 0.914 60 T HN -0.089 nan 8.240 nan 0.000 0.509 61 R N 2.862 123.317 120.500 -0.077 0.000 2.854 61 R HA 0.689 4.935 4.340 -0.157 0.000 0.271 61 R C -0.533 175.712 176.300 -0.092 0.000 0.994 61 R CA -1.010 55.039 56.100 -0.085 0.000 0.945 61 R CB 1.491 31.749 30.300 -0.071 0.000 1.194 61 R HN 0.748 nan 8.270 nan 0.000 0.476 62 N N -1.638 117.013 118.700 -0.082 0.000 2.927 62 N HA 0.017 4.663 4.740 -0.157 0.000 0.248 62 N C -0.042 175.431 175.510 -0.061 0.000 1.443 62 N CA -0.923 52.092 53.050 -0.057 0.000 0.870 62 N CB 0.855 39.343 38.487 0.001 0.000 1.444 62 N HN 0.621 nan 8.380 nan 0.000 0.519 63 E N -0.017 120.161 120.200 -0.036 0.000 2.097 63 E HA -0.307 3.949 4.350 -0.157 0.000 0.196 63 E C 1.091 177.629 176.600 -0.104 0.000 1.000 63 E CA 1.627 57.999 56.400 -0.047 0.000 0.804 63 E CB 0.071 29.768 29.700 -0.004 0.000 0.740 63 E HN 0.512 nan 8.360 nan 0.000 0.454 64 K N 0.698 121.005 120.400 -0.155 0.000 2.001 64 K HA -0.095 4.131 4.320 -0.157 0.000 0.208 64 K C 2.140 178.589 176.600 -0.251 0.000 1.048 64 K CA 1.324 57.425 56.287 -0.310 0.000 0.932 64 K CB -0.497 31.669 32.500 -0.556 0.000 0.715 64 K HN 0.192 nan 8.250 nan 0.000 0.437 65 L N 0.956 122.045 121.223 -0.224 0.000 2.042 65 L HA -0.236 4.010 4.340 -0.157 0.000 0.210 65 L C 1.894 178.655 176.870 -0.181 0.000 1.076 65 L CA 1.389 56.068 54.840 -0.269 0.000 0.749 65 L CB -0.638 41.257 42.059 -0.273 0.000 0.893 65 L HN 0.287 nan 8.230 nan 0.000 0.432 66 N N -0.369 118.251 118.700 -0.133 0.000 2.188 66 N HA -0.146 4.500 4.740 -0.157 0.000 0.184 66 N C 2.036 177.490 175.510 -0.092 0.000 1.018 66 N CA 1.622 54.614 53.050 -0.097 0.000 0.858 66 N CB -0.428 38.016 38.487 -0.072 0.000 0.989 66 N HN 0.365 nan 8.380 nan 0.000 0.426 67 S N 0.307 115.942 115.700 -0.108 0.000 2.515 67 S HA 0.055 4.431 4.470 -0.157 0.000 0.231 67 S C 1.734 176.274 174.600 -0.099 0.000 0.987 67 S CA 0.303 58.446 58.200 -0.095 0.000 0.936 67 S CB -0.401 62.737 63.200 -0.104 0.000 0.766 67 S HN 0.233 nan 8.310 nan 0.000 0.528 68 L N 0.689 121.840 121.223 -0.121 0.000 2.554 68 L HA 0.218 4.464 4.340 -0.157 0.000 0.226 68 L C 2.577 179.402 176.870 -0.076 0.000 1.137 68 L CA 0.497 55.273 54.840 -0.107 0.000 0.863 68 L CB -0.305 41.672 42.059 -0.138 0.000 0.985 68 L HN 0.287 nan 8.230 nan 0.000 0.451 69 E N 1.097 121.255 120.200 -0.070 0.000 2.153 69 E HA -0.256 4.000 4.350 -0.157 0.000 0.194 69 E C 1.681 178.260 176.600 -0.034 0.000 0.988 69 E CA 1.514 57.885 56.400 -0.048 0.000 0.811 69 E CB -0.029 29.645 29.700 -0.044 0.000 0.746 69 E HN 0.557 nan 8.360 nan 0.000 0.466 70 D N -0.467 119.911 120.400 -0.035 0.000 2.263 70 D HA -0.144 4.402 4.640 -0.157 0.000 0.208 70 D C 1.643 177.929 176.300 -0.024 0.000 0.971 70 D CA 1.542 55.526 54.000 -0.027 0.000 0.867 70 D CB -0.322 40.461 40.800 -0.028 0.000 0.929 70 D HN 0.312 nan 8.370 nan 0.000 0.492 71 V N -3.483 116.416 119.914 -0.026 0.000 3.643 71 V HA 0.312 4.338 4.120 -0.157 0.000 0.280 71 V C 0.872 176.959 176.094 -0.012 0.000 1.351 71 V CA -0.654 61.636 62.300 -0.017 0.000 1.073 71 V CB -0.451 31.363 31.823 -0.015 0.000 0.863 71 V HN -0.154 nan 8.190 nan 0.000 0.436 72 R N 2.157 122.647 120.500 -0.016 0.000 2.489 72 R HA 0.391 4.636 4.340 -0.157 0.000 0.287 72 R C -0.155 176.142 176.300 -0.005 0.000 1.053 72 R CA 0.122 56.219 56.100 -0.005 0.000 1.036 72 R CB 0.663 30.959 30.300 -0.006 0.000 0.966 72 R HN 0.365 nan 8.270 nan 0.000 0.432 73 K N 1.268 121.668 120.400 0.000 0.000 2.292 73 K HA 0.331 4.557 4.320 -0.157 0.000 0.257 73 K C -0.040 176.565 176.600 0.009 0.000 0.940 73 K CA -0.443 55.831 56.287 -0.021 0.000 0.811 73 K CB 1.906 34.382 32.500 -0.041 0.000 1.120 73 K HN 0.735 nan 8.250 nan 0.000 0.428 74 G N 0.369 109.182 108.800 0.022 0.000 2.531 74 G HA2 0.245 4.111 3.960 -0.157 0.000 0.253 74 G HA3 0.245 4.111 3.960 -0.157 0.000 0.253 74 G C 0.391 175.364 174.900 0.122 0.000 1.439 74 G CA 0.312 45.477 45.100 0.108 0.000 1.056 74 G HN 0.706 nan 8.290 nan 0.000 0.555 75 S N -2.706 113.142 115.700 0.248 0.000 2.707 75 S HA 0.094 4.469 4.470 -0.157 0.000 0.224 75 S C 0.200 174.968 174.600 0.279 0.000 0.931 75 S CA -0.116 58.234 58.200 0.250 0.000 1.243 75 S CB -0.068 63.208 63.200 0.126 0.000 0.949 75 S HN 0.521 nan 8.310 nan 0.000 0.384 76 E N 3.215 123.515 120.200 0.168 0.000 2.465 76 E HA 0.219 4.475 4.350 -0.157 0.000 0.260 76 E C -0.211 176.349 176.600 -0.066 0.000 0.980 76 E CA 0.347 56.783 56.400 0.060 0.000 0.927 76 E CB -0.023 29.698 29.700 0.036 0.000 0.934 76 E HN 0.404 nan 8.360 nan 0.000 0.459 77 N N 0.668 119.318 118.700 -0.083 0.000 2.828 77 N HA -0.212 4.434 4.740 -0.157 0.000 0.248 77 N C -1.113 174.237 175.510 -0.267 0.000 1.044 77 N CA 1.151 54.092 53.050 -0.182 0.000 0.851 77 N CB -1.229 37.108 38.487 -0.250 0.000 1.136 77 N HN 0.389 nan 8.380 nan 0.000 0.572 78 Y N 0.534 120.840 120.300 0.009 0.000 2.419 78 Y HA 0.638 5.094 4.550 -0.156 0.000 0.328 78 Y C 0.880 176.783 175.900 0.005 0.000 1.162 78 Y CA -0.515 57.589 58.100 0.007 0.000 1.174 78 Y CB 1.074 39.539 38.460 0.008 0.000 1.228 78 Y HN 0.106 nan 8.280 nan 0.000 0.473 79 A N 2.298 125.233 122.820 0.192 0.000 2.371 79 A HA 0.437 4.663 4.320 -0.157 0.000 0.257 79 A C -0.835 176.798 177.584 0.081 0.000 1.089 79 A CA -0.528 51.570 52.037 0.101 0.000 0.794 79 A CB 0.137 19.183 19.000 0.076 0.000 1.029 79 A HN 0.711 nan 8.150 nan 0.000 0.488 80 L N 2.777 124.028 121.223 0.046 0.000 2.360 80 L HA 0.529 4.775 4.340 -0.157 0.000 0.276 80 L C 0.585 177.463 176.870 0.013 0.000 1.121 80 L CA 1.007 55.860 54.840 0.023 0.000 0.845 80 L CB 0.410 42.474 42.059 0.008 0.000 1.143 80 L HN 0.901 nan 8.230 nan 0.000 0.452 81 T N 0.415 114.971 114.554 0.003 0.000 2.887 81 T HA 0.676 4.932 4.350 -0.157 0.000 0.292 81 T C 0.204 174.902 174.700 -0.003 0.000 1.087 81 T CA -0.179 61.924 62.100 0.006 0.000 1.009 81 T CB 1.065 69.941 68.868 0.012 0.000 1.203 81 T HN 0.782 nan 8.240 nan 0.000 0.518 82 T N 0.173 114.738 114.554 0.017 0.000 2.726 82 T HA 0.246 4.502 4.350 -0.157 0.000 0.294 82 T C 1.043 175.756 174.700 0.021 0.000 1.013 82 T CA -0.583 61.533 62.100 0.027 0.000 0.996 82 T CB -0.021 68.903 68.868 0.093 0.000 1.016 82 T HN 0.562 nan 8.240 nan 0.000 0.529 83 N N 0.446 119.160 118.700 0.024 0.000 2.520 83 N HA -0.064 4.582 4.740 -0.157 0.000 0.185 83 N C 1.529 177.057 175.510 0.030 0.000 1.068 83 N CA 0.519 53.577 53.050 0.014 0.000 0.911 83 N CB -0.167 38.336 38.487 0.026 0.000 0.961 83 N HN 0.537 nan 8.380 nan 0.000 0.446 84 Q N -0.503 119.328 119.800 0.052 0.000 2.403 84 Q HA 0.180 4.426 4.340 -0.157 0.000 0.203 84 Q C 0.924 176.948 176.000 0.039 0.000 0.932 84 Q CA 0.192 56.024 55.803 0.048 0.000 0.945 84 Q CB 0.285 29.061 28.738 0.064 0.000 1.045 84 Q HN 0.412 nan 8.270 nan 0.000 0.511 85 G N 0.283 109.104 108.800 0.034 0.000 2.141 85 G HA2 -0.241 3.625 3.960 -0.157 0.000 0.242 85 G HA3 -0.241 3.625 3.960 -0.157 0.000 0.242 85 G C 0.115 175.042 174.900 0.044 0.000 0.982 85 G CA 0.178 45.294 45.100 0.027 0.000 0.662 85 G HN 0.226 nan 8.290 nan 0.000 0.527 86 V N 1.943 121.900 119.914 0.071 0.000 2.455 86 V HA 0.334 4.360 4.120 -0.157 0.000 0.273 86 V C 1.323 177.457 176.094 0.066 0.000 1.045 86 V CA -0.474 61.880 62.300 0.091 0.000 0.976 86 V CB 0.986 32.913 31.823 0.172 0.000 0.993 86 V HN 0.403 nan 8.190 nan 0.000 0.475 87 R N 4.496 125.028 120.500 0.053 0.000 2.537 87 R HA 0.356 4.602 4.340 -0.157 0.000 0.280 87 R C -0.503 175.811 176.300 0.023 0.000 1.058 87 R CA -0.086 56.036 56.100 0.036 0.000 1.057 87 R CB 0.531 30.852 30.300 0.035 0.000 0.973 87 R HN 0.574 nan 8.270 nan 0.000 0.438 88 I N 1.956 122.527 120.570 0.002 0.000 2.353 88 I HA 0.120 4.196 4.170 -0.157 0.000 0.293 88 I C 0.970 177.077 176.117 -0.018 0.000 0.992 88 I CA 0.049 61.334 61.300 -0.025 0.000 1.268 88 I CB 1.878 39.850 38.000 -0.046 0.000 1.387 88 I HN 0.771 nan 8.210 nan 0.000 0.478 89 A N 3.979 126.785 122.820 -0.022 0.000 1.911 89 A HA 0.024 4.250 4.320 -0.157 0.000 0.212 89 A C 0.651 178.220 177.584 -0.024 0.000 1.189 89 A CA 0.871 52.898 52.037 -0.016 0.000 0.639 89 A CB 0.073 19.067 19.000 -0.010 0.000 0.839 89 A HN 0.680 nan 8.150 nan 0.000 0.449 90 D N -0.515 119.863 120.400 -0.037 0.000 2.421 90 D HA 0.319 4.864 4.640 -0.157 0.000 0.254 90 D C -1.324 174.945 176.300 -0.052 0.000 1.238 90 D CA -0.360 53.617 54.000 -0.039 0.000 0.919 90 D CB 1.131 41.909 40.800 -0.037 0.000 1.152 90 D HN 0.054 nan 8.370 nan 0.000 0.552 91 D N 1.978 122.350 120.400 -0.046 0.000 2.395 91 D HA 0.054 4.600 4.640 -0.157 0.000 0.226 91 D C 0.651 176.920 176.300 -0.053 0.000 1.146 91 D CA 0.303 54.271 54.000 -0.054 0.000 0.830 91 D CB 0.504 41.276 40.800 -0.046 0.000 0.958 91 D HN 0.238 nan 8.370 nan 0.000 0.501 92 Q N -0.710 119.061 119.800 -0.048 0.000 2.280 92 Q HA 0.257 4.503 4.340 -0.157 0.000 0.228 92 Q C -0.145 175.826 176.000 -0.048 0.000 0.857 92 Q CA 0.184 55.959 55.803 -0.047 0.000 0.939 92 Q CB 0.788 29.504 28.738 -0.038 0.000 1.114 92 Q HN 0.193 nan 8.270 nan 0.000 0.514 93 N N 0.182 118.852 118.700 -0.050 0.000 2.242 93 N HA 0.335 4.981 4.740 -0.157 0.000 0.292 93 N C -0.916 174.563 175.510 -0.053 0.000 1.125 93 N CA -0.242 52.780 53.050 -0.047 0.000 0.783 93 N CB 2.137 40.602 38.487 -0.037 0.000 1.558 93 N HN -0.171 nan 8.380 nan 0.000 0.472 94 S N 0.681 116.353 115.700 -0.047 0.000 2.632 94 S HA 0.313 4.689 4.470 -0.157 0.000 0.267 94 S C 0.097 174.674 174.600 -0.038 0.000 1.276 94 S CA -0.575 57.597 58.200 -0.046 0.000 0.998 94 S CB 0.763 63.941 63.200 -0.036 0.000 0.953 94 S HN 0.400 nan 8.310 nan 0.000 0.547 95 L N 3.139 124.341 121.223 -0.035 0.000 2.290 95 L HA 0.452 4.698 4.340 -0.157 0.000 0.284 95 L C -0.008 176.856 176.870 -0.009 0.000 1.078 95 L CA 0.262 55.090 54.840 -0.020 0.000 0.815 95 L CB -0.039 42.012 42.059 -0.013 0.000 1.162 95 L HN 0.713 nan 8.230 nan 0.000 0.435 96 R N 4.214 124.710 120.500 -0.006 0.000 2.808 96 R HA 0.853 5.099 4.340 -0.157 0.000 0.272 96 R C -1.096 175.204 176.300 0.001 0.000 0.995 96 R CA -0.860 55.239 56.100 -0.002 0.000 0.917 96 R CB 1.167 31.463 30.300 -0.006 0.000 1.217 96 R HN 0.588 nan 8.270 nan 0.000 0.471 97 A N 1.331 124.153 122.820 0.003 0.000 2.671 97 A HA 0.571 4.797 4.320 -0.157 0.000 0.306 97 A C 0.615 178.200 177.584 0.002 0.000 1.473 97 A CA 0.381 52.421 52.037 0.004 0.000 1.155 97 A CB -0.974 18.029 19.000 0.006 0.000 1.123 97 A HN 1.218 nan 8.150 nan 0.000 0.545 98 G N 1.118 109.918 108.800 0.000 0.000 2.692 98 G HA2 0.051 3.917 3.960 -0.157 0.000 0.686 98 G HA3 0.051 3.917 3.960 -0.157 0.000 0.686 98 G C 0.638 175.536 174.900 -0.004 0.000 1.243 98 G CA 0.102 45.201 45.100 -0.001 0.000 0.782 98 G HN 1.804 nan 8.290 nan 0.000 0.625 99 S N -0.303 115.394 115.700 -0.005 0.000 2.515 99 S HA 0.030 4.406 4.470 -0.157 0.000 0.231 99 S C 1.510 176.105 174.600 -0.008 0.000 0.987 99 S CA 1.325 59.521 58.200 -0.008 0.000 0.936 99 S CB 0.096 63.291 63.200 -0.008 0.000 0.766 99 S HN 0.733 nan 8.310 nan 0.000 0.528 100 R N 0.814 121.310 120.500 -0.006 0.000 2.613 100 R HA 0.336 4.582 4.340 -0.157 0.000 0.361 100 R C 0.834 177.131 176.300 -0.005 0.000 1.072 100 R CA 0.014 56.110 56.100 -0.007 0.000 1.089 100 R CB 0.832 31.128 30.300 -0.006 0.000 1.343 100 R HN 0.439 nan 8.270 nan 0.000 0.571 101 G N 1.653 110.450 108.800 -0.004 0.000 2.557 101 G HA2 0.379 4.245 3.960 -0.157 0.000 0.302 101 G HA3 0.379 4.245 3.960 -0.157 0.000 0.302 101 G C -2.399 172.500 174.900 -0.002 0.000 1.311 101 G CA -1.120 43.978 45.100 -0.002 0.000 1.030 101 G HN -0.106 nan 8.290 nan 0.000 0.509 102 P HA 0.202 nan 4.420 nan 0.000 0.275 102 P C -0.146 177.155 177.300 0.001 0.000 1.228 102 P CA -0.041 63.060 63.100 0.001 0.000 0.786 102 P CB 0.765 32.467 31.700 0.003 0.000 0.927 103 T N 2.743 117.297 114.554 0.000 0.000 2.919 103 T HA 0.260 4.516 4.350 -0.157 0.000 0.302 103 T C 0.493 175.197 174.700 0.008 0.000 1.031 103 T CA -0.148 61.952 62.100 0.000 0.000 1.127 103 T CB 0.018 68.884 68.868 -0.003 0.000 0.952 103 T HN 0.189 nan 8.240 nan 0.000 0.540 104 L N 3.551 124.781 121.223 0.011 0.000 2.334 104 L HA 0.309 4.555 4.340 -0.157 0.000 0.277 104 L C 1.389 178.277 176.870 0.030 0.000 1.075 104 L CA -0.779 54.074 54.840 0.021 0.000 0.804 104 L CB 0.897 42.971 42.059 0.024 0.000 1.174 104 L HN 0.512 nan 8.230 nan 0.000 0.438 105 L N 2.372 123.616 121.223 0.035 0.000 2.191 105 L HA -0.180 4.066 4.340 -0.157 0.000 0.212 105 L C 2.254 179.164 176.870 0.066 0.000 1.103 105 L CA 1.618 56.485 54.840 0.045 0.000 0.769 105 L CB -0.565 41.517 42.059 0.039 0.000 0.908 105 L HN 0.789 nan 8.230 nan 0.000 0.438 106 E N -1.656 118.588 120.200 0.073 0.000 2.511 106 E HA -0.144 4.112 4.350 -0.157 0.000 0.196 106 E C 0.158 176.864 176.600 0.177 0.000 1.066 106 E CA 0.100 56.570 56.400 0.116 0.000 0.871 106 E CB -0.463 29.295 29.700 0.098 0.000 0.863 106 E HN 0.347 nan 8.360 nan 0.000 0.520 107 D N 1.290 121.751 120.400 0.102 0.000 2.455 107 D HA -0.045 4.501 4.640 -0.157 0.000 0.234 107 D C 0.438 176.767 176.300 0.049 0.000 1.224 107 D CA -0.458 53.564 54.000 0.038 0.000 0.999 107 D CB -0.111 40.675 40.800 -0.023 0.000 1.072 107 D HN 0.303 nan 8.370 nan 0.000 0.514 108 F N 2.207 122.166 119.950 0.015 0.000 2.456 108 F HA 0.094 4.526 4.527 -0.157 0.000 0.298 108 F C 1.592 177.405 175.800 0.021 0.000 1.104 108 F CA 0.116 58.128 58.000 0.019 0.000 1.435 108 F CB -0.602 38.408 39.000 0.017 0.000 1.078 108 F HN 0.188 nan 8.300 nan 0.000 0.546 109 I N 0.426 120.552 120.570 -0.739 0.000 2.233 109 I HA -0.199 3.877 4.170 -0.157 0.000 0.243 109 I C 2.496 178.496 176.117 -0.196 0.000 1.093 109 I CA 1.115 62.117 61.300 -0.497 0.000 1.380 109 I CB -0.544 37.113 38.000 -0.571 0.000 1.067 109 I HN 0.286 nan 8.210 nan 0.000 0.413 110 L N 1.186 122.313 121.223 -0.160 0.000 1.989 110 L HA -0.210 4.036 4.340 -0.157 0.000 0.211 110 L C 2.653 179.513 176.870 -0.016 0.000 1.071 110 L CA 1.883 56.678 54.840 -0.075 0.000 0.749 110 L CB -0.568 41.455 42.059 -0.060 0.000 0.890 110 L HN 0.054 nan 8.230 nan 0.000 0.431 111 R N -0.575 119.932 120.500 0.013 0.000 2.096 111 R HA -0.182 4.064 4.340 -0.157 0.000 0.235 111 R C 2.320 178.674 176.300 0.090 0.000 1.127 111 R CA 1.562 57.700 56.100 0.063 0.000 0.968 111 R CB -0.430 29.921 30.300 0.084 0.000 0.861 111 R HN 0.606 nan 8.270 nan 0.000 0.440 112 E N 1.295 121.548 120.200 0.089 0.000 2.051 112 E HA -0.242 4.014 4.350 -0.157 0.000 0.192 112 E C 1.967 178.641 176.600 0.124 0.000 0.991 112 E CA 1.265 57.734 56.400 0.116 0.000 0.799 112 E CB 0.085 29.853 29.700 0.114 0.000 0.748 112 E HN 0.159 nan 8.360 nan 0.000 0.449 113 K N 0.291 120.733 120.400 0.069 0.000 2.032 113 K HA -0.157 4.069 4.320 -0.157 0.000 0.209 113 K C 2.109 178.786 176.600 0.129 0.000 1.048 113 K CA 1.508 57.837 56.287 0.069 0.000 0.927 113 K CB -0.057 32.441 32.500 -0.003 0.000 0.712 113 K HN 0.149 nan 8.250 nan 0.000 0.441 114 I N 1.292 121.924 120.570 0.103 0.000 2.353 114 I HA -0.166 3.910 4.170 -0.157 0.000 0.248 114 I C 2.151 178.401 176.117 0.222 0.000 1.119 114 I CA 1.265 62.654 61.300 0.149 0.000 1.417 114 I CB -1.454 36.594 38.000 0.080 0.000 1.078 114 I HN 0.239 nan 8.210 nan 0.000 0.421 115 T N -0.189 114.482 114.554 0.195 0.000 2.684 115 T HA -0.225 4.031 4.350 -0.157 0.000 0.267 115 T C 1.965 176.840 174.700 0.291 0.000 1.036 115 T CA 1.457 63.703 62.100 0.243 0.000 1.148 115 T CB -0.428 68.567 68.868 0.212 0.000 0.863 115 T HN 0.344 nan 8.240 nan 0.000 0.436 116 H N -0.090 119.085 119.070 0.176 0.000 2.353 116 H HA -0.072 4.390 4.556 -0.156 0.000 0.300 116 H C 2.206 177.602 175.328 0.112 0.000 1.090 116 H CA 1.616 57.746 56.048 0.138 0.000 1.327 116 H CB -0.435 29.382 29.762 0.092 0.000 1.383 116 H HN 0.403 nan 8.280 nan 0.000 0.508 117 F N 2.119 122.155 119.950 0.143 0.000 2.095 117 F HA -0.214 4.221 4.527 -0.154 0.000 0.298 117 F C 2.049 177.822 175.800 -0.045 0.000 1.104 117 F CA 1.856 59.883 58.000 0.045 0.000 1.232 117 F CB -0.375 38.639 39.000 0.025 0.000 0.987 117 F HN 0.067 nan 8.300 nan 0.000 0.475 118 D N -1.024 119.305 120.400 -0.117 0.000 2.221 118 D HA -0.173 4.372 4.640 -0.157 0.000 0.204 118 D C 1.426 177.376 176.300 -0.583 0.000 0.982 118 D CA 1.344 55.125 54.000 -0.366 0.000 0.857 118 D CB -0.476 40.135 40.800 -0.315 0.000 0.934 118 D HN 0.512 nan 8.370 nan 0.000 0.475 119 H N 0.005 118.947 119.070 -0.213 0.000 2.487 119 H HA 0.200 4.661 4.556 -0.158 0.000 0.290 119 H C 1.012 176.168 175.328 -0.286 0.000 1.081 119 H CA -0.009 55.907 56.048 -0.219 0.000 1.116 119 H CB 0.473 30.117 29.762 -0.197 0.000 1.560 119 H HN 0.321 nan 8.280 nan 0.000 0.548 120 E N 0.659 120.690 120.200 -0.282 0.000 2.150 120 E HA -0.044 4.212 4.350 -0.157 0.000 0.193 120 E C 0.572 177.022 176.600 -0.250 0.000 0.985 120 E CA 0.465 56.678 56.400 -0.313 0.000 0.814 120 E CB 0.417 29.915 29.700 -0.337 0.000 0.752 120 E HN 0.183 nan 8.360 nan 0.000 0.466 121 R N 1.303 121.708 120.500 -0.158 0.000 2.531 121 R HA 0.390 4.636 4.340 -0.157 0.000 0.273 121 R C 0.489 176.820 176.300 0.052 0.000 1.070 121 R CA -0.231 55.851 56.100 -0.030 0.000 1.112 121 R CB 0.660 30.932 30.300 -0.046 0.000 1.049 121 R HN 0.149 nan 8.270 nan 0.000 0.508 122 I N -1.568 119.087 120.570 0.143 0.000 2.892 122 I HA 0.548 4.624 4.170 -0.157 0.000 0.306 122 I C -2.353 173.810 176.117 0.077 0.000 1.078 122 I CA -3.014 58.356 61.300 0.117 0.000 1.032 122 I CB 1.928 40.023 38.000 0.157 0.000 1.229 122 I HN 0.234 nan 8.210 nan 0.000 0.435 123 P HA 0.065 nan 4.420 nan 0.000 0.264 123 P C -0.783 176.530 177.300 0.022 0.000 1.183 123 P CA 0.048 63.161 63.100 0.021 0.000 0.763 123 P CB 0.385 32.086 31.700 0.003 0.000 0.807 124 E N 2.853 123.068 120.200 0.026 0.000 2.391 124 E HA 0.190 4.446 4.350 -0.157 0.000 0.255 124 E C -0.418 176.186 176.600 0.006 0.000 1.187 124 E CA -0.865 55.553 56.400 0.030 0.000 0.941 124 E CB 0.579 30.304 29.700 0.041 0.000 1.010 124 E HN 0.263 nan 8.360 nan 0.000 0.458 125 R N 0.529 121.033 120.500 0.007 0.000 2.640 125 R HA -0.016 4.229 4.340 -0.157 0.000 0.270 125 R C 1.097 177.393 176.300 -0.006 0.000 1.024 125 R CA -0.097 55.996 56.100 -0.011 0.000 1.085 125 R CB 0.166 30.468 30.300 0.004 0.000 0.963 125 R HN 0.622 nan 8.270 nan 0.000 0.426 126 I N 3.152 123.708 120.570 -0.024 0.000 2.208 126 I HA -0.194 3.882 4.170 -0.157 0.000 0.245 126 I C 0.453 176.582 176.117 0.020 0.000 1.097 126 I CA 1.439 62.736 61.300 -0.005 0.000 1.363 126 I CB 0.351 38.343 38.000 -0.013 0.000 1.051 126 I HN 0.421 nan 8.210 nan 0.000 0.413 127 V N -2.197 117.739 119.914 0.036 0.000 3.001 127 V HA 0.547 4.573 4.120 -0.157 0.000 0.314 127 V C 0.011 176.145 176.094 0.067 0.000 1.099 127 V CA -0.692 61.651 62.300 0.073 0.000 0.989 127 V CB 1.359 33.275 31.823 0.156 0.000 1.040 127 V HN 0.427 nan 8.190 nan 0.000 0.434 128 N N 0.106 118.858 118.700 0.086 0.000 2.754 128 N HA -0.179 4.467 4.740 -0.157 0.000 0.248 128 N C 0.943 176.494 175.510 0.068 0.000 1.093 128 N CA 1.092 54.190 53.050 0.081 0.000 0.699 128 N CB -1.309 37.217 38.487 0.065 0.000 1.016 128 N HN 1.278 nan 8.380 nan 0.000 0.552 129 A N -0.461 122.399 122.820 0.067 0.000 1.972 129 A HA -0.057 4.169 4.320 -0.157 0.000 0.219 129 A C 1.431 179.078 177.584 0.106 0.000 1.169 129 A CA 1.334 53.414 52.037 0.071 0.000 0.635 129 A CB -0.026 19.008 19.000 0.057 0.000 0.810 129 A HN 0.331 nan 8.150 nan 0.000 0.446 130 R N 0.223 120.792 120.500 0.114 0.000 2.196 130 R HA 0.503 4.749 4.340 -0.157 0.000 0.340 130 R C -0.154 176.250 176.300 0.173 0.000 1.043 130 R CA 0.719 56.910 56.100 0.151 0.000 0.883 130 R CB 0.213 30.597 30.300 0.139 0.000 1.078 130 R HN 0.319 nan 8.270 nan 0.000 0.462 131 G N 0.923 109.852 108.800 0.214 0.000 2.704 131 G HA2 0.510 4.376 3.960 -0.157 0.000 0.293 131 G HA3 0.510 4.376 3.960 -0.157 0.000 0.293 131 G C -1.571 173.479 174.900 0.250 0.000 1.421 131 G CA -0.598 44.598 45.100 0.160 0.000 0.870 131 G HN 0.477 nan 8.290 nan 0.000 0.492 132 S N -0.815 114.989 115.700 0.173 0.000 2.532 132 S HA 0.861 5.236 4.470 -0.157 0.000 0.299 132 S C -0.069 174.555 174.600 0.040 0.000 1.105 132 S CA -0.266 58.095 58.200 0.267 0.000 1.018 132 S CB 1.681 65.150 63.200 0.449 0.000 1.021 132 S HN 1.407 nan 8.310 nan 0.000 0.483 133 A N 1.825 124.628 122.820 -0.028 0.000 2.430 133 A HA 1.038 5.264 4.320 -0.157 0.000 0.300 133 A C -0.788 176.619 177.584 -0.295 0.000 1.124 133 A CA -0.784 51.026 52.037 -0.378 0.000 0.766 133 A CB 1.609 20.232 19.000 -0.628 0.000 1.328 133 A HN 1.310 nan 8.150 nan 0.000 0.424 134 A N 0.358 122.837 122.820 -0.568 0.000 2.612 134 A HA 0.701 4.927 4.320 -0.157 0.000 0.293 134 A C -1.103 176.296 177.584 -0.308 0.000 1.075 134 A CA -0.653 51.221 52.037 -0.271 0.000 0.680 134 A CB 0.719 19.640 19.000 -0.130 0.000 1.279 134 A HN 0.880 nan 8.150 nan 0.000 0.411 135 H N -0.324 118.773 119.070 0.044 0.000 2.482 135 H HA 0.678 5.141 4.556 -0.155 0.000 0.344 135 H C 0.626 175.954 175.328 0.001 0.000 1.151 135 H CA 0.877 57.008 56.048 0.139 0.000 1.300 135 H CB 1.853 31.695 29.762 0.133 0.000 1.494 135 H HN 1.132 nan 8.280 nan 0.000 0.542 136 G N 0.618 109.522 108.800 0.172 0.000 2.578 136 G HA2 0.370 4.236 3.960 -0.157 0.000 0.302 136 G HA3 0.370 4.236 3.960 -0.157 0.000 0.302 136 G C -2.040 173.001 174.900 0.235 0.000 1.243 136 G CA -0.633 44.523 45.100 0.093 0.000 0.843 136 G HN 0.632 nan 8.290 nan 0.000 0.486 137 Y N -1.820 118.526 120.300 0.077 0.000 2.609 137 Y HA 0.817 5.273 4.550 -0.157 0.000 0.336 137 Y C -1.788 174.261 175.900 0.247 0.000 1.129 137 Y CA -1.939 56.254 58.100 0.154 0.000 1.040 137 Y CB 1.734 40.255 38.460 0.103 0.000 1.310 137 Y HN 0.818 nan 8.280 nan 0.000 0.460 138 F N 2.262 122.380 119.950 0.279 0.000 2.546 138 F HA 0.734 5.169 4.527 -0.154 0.000 0.320 138 F C -1.197 174.821 175.800 0.363 0.000 1.076 138 F CA -0.634 57.538 58.000 0.287 0.000 0.928 138 F CB 2.362 41.662 39.000 0.500 0.000 1.189 138 F HN 0.787 nan 8.300 nan 0.000 0.465 139 Q N 6.217 125.455 119.800 -0.938 0.000 2.284 139 Q HA 0.444 4.690 4.340 -0.157 0.000 0.269 139 Q C -2.865 172.555 176.000 -0.968 0.000 1.026 139 Q CA -2.369 53.061 55.803 -0.622 0.000 0.831 139 Q CB 2.917 31.603 28.738 -0.088 0.000 1.322 139 Q HN 0.338 nan 8.270 nan 0.000 0.419 140 P HA 0.034 nan 4.420 nan 0.000 0.274 140 P C -0.578 176.646 177.300 -0.127 0.000 1.237 140 P CA 0.230 63.136 63.100 -0.323 0.000 0.793 140 P CB 0.431 32.087 31.700 -0.074 0.000 0.977 141 Y N 0.254 120.502 120.300 -0.086 0.000 2.517 141 Y HA 0.036 4.493 4.550 -0.155 0.000 0.281 141 Y C 1.294 177.170 175.900 -0.039 0.000 1.125 141 Y CA 0.045 58.113 58.100 -0.054 0.000 1.283 141 Y CB 0.410 38.846 38.460 -0.040 0.000 1.042 141 Y HN 0.348 nan 8.280 nan 0.000 0.547 142 K N -1.110 119.353 120.400 0.104 0.000 2.642 142 K HA 0.267 4.493 4.320 -0.157 0.000 0.290 142 K C -1.120 175.486 176.600 0.010 0.000 1.006 142 K CA -0.863 55.455 56.287 0.050 0.000 0.869 142 K CB 1.211 33.741 32.500 0.051 0.000 1.499 142 K HN -0.230 nan 8.250 nan 0.000 0.403 143 S N 1.102 116.804 115.700 0.004 0.000 2.533 143 S HA 0.175 4.551 4.470 -0.157 0.000 0.282 143 S C 0.369 174.956 174.600 -0.021 0.000 1.304 143 S CA -0.597 57.596 58.200 -0.013 0.000 1.063 143 S CB -0.148 63.048 63.200 -0.007 0.000 0.881 143 S HN 0.539 nan 8.310 nan 0.000 0.493 144 L N 4.842 126.040 121.223 -0.041 0.000 2.928 144 L HA 0.146 4.392 4.340 -0.157 0.000 0.246 144 L C 2.026 178.876 176.870 -0.034 0.000 1.239 144 L CA -0.037 54.784 54.840 -0.032 0.000 1.035 144 L CB -0.163 41.876 42.059 -0.033 0.000 1.360 144 L HN 0.867 nan 8.230 nan 0.000 0.529 145 S N -1.801 113.878 115.700 -0.034 0.000 2.442 145 S HA -0.186 4.190 4.470 -0.157 0.000 0.236 145 S C 1.264 175.845 174.600 -0.031 0.000 1.007 145 S CA 1.147 59.326 58.200 -0.036 0.000 0.965 145 S CB -0.137 63.047 63.200 -0.026 0.000 0.773 145 S HN 0.386 nan 8.310 nan 0.000 0.504 146 D N 2.029 122.415 120.400 -0.023 0.000 2.219 146 D HA 0.017 4.563 4.640 -0.157 0.000 0.205 146 D C 1.789 178.070 176.300 -0.031 0.000 0.970 146 D CA 1.438 55.425 54.000 -0.022 0.000 0.851 146 D CB -0.200 40.593 40.800 -0.012 0.000 0.943 146 D HN 0.816 nan 8.370 nan 0.000 0.488 147 I N -4.383 116.169 120.570 -0.030 0.000 4.323 147 I HA 0.232 4.308 4.170 -0.157 0.000 0.328 147 I C 0.497 176.572 176.117 -0.070 0.000 1.310 147 I CA -0.039 61.234 61.300 -0.044 0.000 1.186 147 I CB 1.060 39.053 38.000 -0.013 0.000 1.130 147 I HN -0.250 nan 8.210 nan 0.000 0.411 148 T N 1.550 116.065 114.554 -0.066 0.000 2.956 148 T HA 0.335 4.591 4.350 -0.157 0.000 0.312 148 T C -0.125 174.521 174.700 -0.090 0.000 1.151 148 T CA -0.713 61.329 62.100 -0.095 0.000 1.024 148 T CB 1.805 70.606 68.868 -0.112 0.000 1.140 148 T HN 0.421 nan 8.240 nan 0.000 0.473 149 K N 2.376 122.721 120.400 -0.091 0.000 2.437 149 K HA 0.587 4.813 4.320 -0.157 0.000 0.198 149 K C 0.689 177.249 176.600 -0.067 0.000 1.024 149 K CA -0.364 55.881 56.287 -0.069 0.000 1.148 149 K CB 0.252 32.717 32.500 -0.058 0.000 0.860 149 K HN 0.487 nan 8.250 nan 0.000 0.515 150 A N 2.064 124.820 122.820 -0.107 0.000 2.545 150 A HA -0.054 4.172 4.320 -0.157 0.000 0.253 150 A C 0.573 178.114 177.584 -0.071 0.000 1.074 150 A CA 0.068 52.049 52.037 -0.093 0.000 0.760 150 A CB 0.016 18.888 19.000 -0.214 0.000 1.005 150 A HN 0.483 nan 8.150 nan 0.000 0.506 151 D N 2.260 122.694 120.400 0.057 0.000 2.149 151 D HA -0.246 4.300 4.640 -0.157 0.000 0.198 151 D C 1.363 177.737 176.300 0.122 0.000 0.990 151 D CA 2.326 56.376 54.000 0.084 0.000 0.839 151 D CB -0.238 40.635 40.800 0.123 0.000 0.948 151 D HN 0.753 nan 8.370 nan 0.000 0.460 152 F N -0.682 119.287 119.950 0.032 0.000 2.546 152 F HA 0.140 4.574 4.527 -0.155 0.000 0.298 152 F C 1.066 176.944 175.800 0.131 0.000 1.120 152 F CA 0.398 58.455 58.000 0.096 0.000 1.456 152 F CB -0.211 38.847 39.000 0.097 0.000 1.088 152 F HN -0.052 nan 8.300 nan 0.000 0.572 153 L N 0.750 121.654 121.223 -0.531 0.000 2.769 153 L HA 0.188 4.434 4.340 -0.157 0.000 0.240 153 L C 1.960 178.735 176.870 -0.159 0.000 1.163 153 L CA 0.344 54.945 54.840 -0.397 0.000 0.962 153 L CB -0.093 41.618 42.059 -0.579 0.000 1.258 153 L HN 0.310 nan 8.230 nan 0.000 0.513 154 S N -2.029 113.621 115.700 -0.084 0.000 2.501 154 S HA 0.017 4.393 4.470 -0.157 0.000 0.220 154 S C 0.369 174.965 174.600 -0.007 0.000 0.997 154 S CA 0.044 58.221 58.200 -0.037 0.000 0.919 154 S CB 0.012 63.206 63.200 -0.011 0.000 0.778 154 S HN 0.422 nan 8.310 nan 0.000 0.523 155 D N 0.300 120.707 120.400 0.010 0.000 2.886 155 D HA 0.346 4.892 4.640 -0.157 0.000 0.216 155 D C -2.572 173.745 176.300 0.029 0.000 1.256 155 D CA -1.777 52.236 54.000 0.022 0.000 0.844 155 D CB 1.863 42.682 40.800 0.032 0.000 1.669 155 D HN -0.187 nan 8.370 nan 0.000 0.513 156 P HA -0.063 nan 4.420 nan 0.000 0.222 156 P C 0.330 177.652 177.300 0.037 0.000 1.147 156 P CA 0.953 64.071 63.100 0.030 0.000 0.790 156 P CB 0.148 31.874 31.700 0.044 0.000 0.780 157 N N -0.791 117.933 118.700 0.040 0.000 2.398 157 N HA 0.002 4.648 4.740 -0.157 0.000 0.188 157 N C 0.675 176.220 175.510 0.059 0.000 1.122 157 N CA -0.087 52.989 53.050 0.043 0.000 0.866 157 N CB -0.030 38.478 38.487 0.034 0.000 0.970 157 N HN 0.112 nan 8.380 nan 0.000 0.462 158 K N 1.908 122.355 120.400 0.077 0.000 2.284 158 K HA 0.259 4.485 4.320 -0.157 0.000 0.287 158 K C -0.821 175.876 176.600 0.163 0.000 1.081 158 K CA -0.172 56.186 56.287 0.118 0.000 0.910 158 K CB 0.480 33.064 32.500 0.141 0.000 1.088 158 K HN 0.032 nan 8.250 nan 0.000 0.478 159 I N 3.752 124.419 120.570 0.162 0.000 2.315 159 I HA 0.124 4.200 4.170 -0.157 0.000 0.291 159 I C -0.100 176.193 176.117 0.293 0.000 1.006 159 I CA -0.411 61.016 61.300 0.211 0.000 1.265 159 I CB 1.775 39.843 38.000 0.113 0.000 1.387 159 I HN 0.497 nan 8.210 nan 0.000 0.475 160 T N 7.614 122.433 114.554 0.442 0.000 2.772 160 T HA 0.339 4.595 4.350 -0.157 0.000 0.288 160 T C -2.442 172.530 174.700 0.453 0.000 0.994 160 T CA -1.423 60.959 62.100 0.471 0.000 0.951 160 T CB 1.352 70.603 68.868 0.638 0.000 0.933 160 T HN 0.252 nan 8.240 nan 0.000 0.447 161 P HA 0.256 nan 4.420 nan 0.000 0.269 161 P C -0.674 176.884 177.300 0.431 0.000 1.209 161 P CA -0.384 62.926 63.100 0.349 0.000 0.776 161 P CB 0.516 32.346 31.700 0.218 0.000 0.876 162 V N -0.369 119.742 119.914 0.329 0.000 3.078 162 V HA 0.735 4.761 4.120 -0.157 0.000 0.311 162 V C -1.450 174.798 176.094 0.257 0.000 1.138 162 V CA -0.943 61.446 62.300 0.149 0.000 1.007 162 V CB 2.328 34.018 31.823 -0.222 0.000 1.045 162 V HN 0.321 nan 8.190 nan 0.000 0.432 163 F N 2.214 122.134 119.950 -0.048 0.000 2.539 163 F HA 0.832 5.262 4.527 -0.160 0.000 0.328 163 F C -0.880 174.811 175.800 -0.180 0.000 1.148 163 F CA -0.766 57.154 58.000 -0.132 0.000 0.940 163 F CB 1.858 40.806 39.000 -0.088 0.000 1.194 163 F HN 0.526 nan 8.300 nan 0.000 0.438 164 V N 6.597 126.037 119.914 -0.791 0.000 2.459 164 V HA 0.571 4.597 4.120 -0.157 0.000 0.295 164 V C -0.556 174.857 176.094 -1.136 0.000 1.029 164 V CA -0.836 60.916 62.300 -0.913 0.000 0.874 164 V CB 1.899 33.117 31.823 -1.009 0.000 0.985 164 V HN 0.711 nan 8.190 nan 0.000 0.438 165 R N 3.570 123.413 120.500 -1.094 0.000 2.439 165 R HA 0.610 4.856 4.340 -0.157 0.000 0.310 165 R C -1.638 174.060 176.300 -1.004 0.000 0.955 165 R CA -0.429 55.142 56.100 -0.881 0.000 0.853 165 R CB 1.091 31.092 30.300 -0.499 0.000 1.171 165 R HN 0.552 nan 8.270 nan 0.000 0.449 166 F N 2.218 121.747 119.950 -0.701 0.000 2.425 166 F HA 0.509 4.943 4.527 -0.156 0.000 0.331 166 F C 0.473 175.893 175.800 -0.634 0.000 1.085 166 F CA -0.186 57.269 58.000 -0.909 0.000 1.028 166 F CB 2.126 40.064 39.000 -1.771 0.000 1.177 166 F HN 0.610 nan 8.300 nan 0.000 0.487 167 S N -0.726 114.851 115.700 -0.205 0.000 2.625 167 S HA 0.680 5.056 4.470 -0.157 0.000 0.271 167 S C -0.562 174.133 174.600 0.160 0.000 1.161 167 S CA -0.876 57.335 58.200 0.017 0.000 0.820 167 S CB 1.407 64.604 63.200 -0.005 0.000 1.137 167 S HN 0.688 nan 8.310 nan 0.000 0.470 168 T N -1.494 113.183 114.554 0.206 0.000 2.867 168 T HA 0.689 4.945 4.350 -0.157 0.000 0.286 168 T C 0.785 175.584 174.700 0.164 0.000 1.022 168 T CA -0.156 62.069 62.100 0.208 0.000 0.933 168 T CB 0.408 69.396 68.868 0.200 0.000 1.280 168 T HN 0.631 nan 8.240 nan 0.000 0.566 169 V N -0.249 119.762 119.914 0.162 0.000 2.996 169 V HA 0.116 4.142 4.120 -0.157 0.000 0.235 169 V C 2.714 178.872 176.094 0.106 0.000 1.205 169 V CA 0.276 62.671 62.300 0.159 0.000 1.225 169 V CB -0.212 31.752 31.823 0.235 0.000 0.995 169 V HN 0.851 nan 8.190 nan 0.000 0.484 170 Q N 1.210 121.055 119.800 0.075 0.000 2.033 170 Q HA 0.058 4.304 4.340 -0.157 0.000 0.196 170 Q C 1.331 177.337 176.000 0.010 0.000 0.970 170 Q CA 1.434 57.246 55.803 0.016 0.000 0.828 170 Q CB -0.372 28.353 28.738 -0.022 0.000 0.895 170 Q HN 0.581 nan 8.270 nan 0.000 0.440 171 G N -0.037 108.778 108.800 0.026 0.000 2.594 171 G HA2 0.342 4.208 3.960 -0.157 0.000 0.243 171 G HA3 0.342 4.208 3.960 -0.157 0.000 0.243 171 G C 0.197 175.111 174.900 0.024 0.000 1.229 171 G CA 0.101 45.210 45.100 0.015 0.000 0.843 171 G HN 0.351 nan 8.290 nan 0.000 0.578 172 G N -0.979 107.826 108.800 0.008 0.000 2.653 172 G HA2 0.476 4.342 3.960 -0.157 0.000 0.265 172 G HA3 0.476 4.342 3.960 -0.157 0.000 0.265 172 G C 1.358 176.283 174.900 0.041 0.000 1.237 172 G CA 0.438 45.548 45.100 0.017 0.000 0.946 172 G HN 1.093 nan 8.290 nan 0.000 0.522 173 A N -0.708 122.144 122.820 0.052 0.000 2.024 173 A HA 0.092 4.318 4.320 -0.157 0.000 0.220 173 A C 2.291 179.907 177.584 0.053 0.000 1.164 173 A CA 2.068 54.153 52.037 0.081 0.000 0.643 173 A CB -0.479 18.582 19.000 0.102 0.000 0.806 173 A HN 1.106 nan 8.150 nan 0.000 0.451 174 G N -0.315 108.499 108.800 0.023 0.000 3.141 174 G HA2 0.309 4.174 3.960 -0.157 0.000 0.218 174 G HA3 0.309 4.174 3.960 -0.157 0.000 0.218 174 G C 0.778 175.677 174.900 -0.002 0.000 1.170 174 G CA 0.682 45.781 45.100 -0.000 0.000 0.769 174 G HN 0.667 nan 8.290 nan 0.000 0.546 175 S N -0.181 115.527 115.700 0.014 0.000 2.652 175 S HA 0.739 5.115 4.470 -0.157 0.000 0.267 175 S C 0.407 175.019 174.600 0.020 0.000 1.201 175 S CA -0.129 58.077 58.200 0.010 0.000 0.996 175 S CB 1.499 64.708 63.200 0.015 0.000 1.054 175 S HN 0.518 nan 8.310 nan 0.000 0.561 176 A N 0.016 122.844 122.820 0.014 0.000 2.302 176 A HA 0.470 4.696 4.320 -0.157 0.000 0.285 176 A C 0.523 178.125 177.584 0.030 0.000 1.105 176 A CA -0.633 51.407 52.037 0.006 0.000 0.816 176 A CB 0.002 18.988 19.000 -0.023 0.000 1.067 176 A HN 0.831 nan 8.150 nan 0.000 0.489 177 D N 0.500 120.905 120.400 0.008 0.000 2.120 177 D HA -0.064 4.482 4.640 -0.157 0.000 0.202 177 D C 1.566 177.826 176.300 -0.066 0.000 0.972 177 D CA 2.248 56.258 54.000 0.017 0.000 0.837 177 D CB -0.270 40.494 40.800 -0.060 0.000 0.989 177 D HN 0.672 nan 8.370 nan 0.000 0.469 178 T N -0.041 114.396 114.554 -0.195 0.000 3.418 178 T HA 0.295 4.551 4.350 -0.157 0.000 0.239 178 T C 0.832 175.513 174.700 -0.031 0.000 0.905 178 T CA -0.574 61.418 62.100 -0.180 0.000 0.929 178 T CB -0.989 67.700 68.868 -0.297 0.000 1.121 178 T HN -0.079 nan 8.240 nan 0.000 0.608 179 V N -1.364 118.586 119.914 0.059 0.000 3.441 179 V HA 0.463 4.489 4.120 -0.157 0.000 0.300 179 V C 0.702 176.941 176.094 0.242 0.000 1.091 179 V CA -1.470 60.915 62.300 0.143 0.000 1.099 179 V CB 0.484 32.385 31.823 0.131 0.000 1.138 179 V HN 0.541 nan 8.190 nan 0.000 0.471 180 R N 1.394 122.093 120.500 0.332 0.000 2.202 180 R HA 0.484 4.730 4.340 -0.157 0.000 0.334 180 R C -1.081 175.315 176.300 0.160 0.000 1.036 180 R CA -0.098 56.160 56.100 0.264 0.000 0.878 180 R CB 0.179 30.577 30.300 0.163 0.000 1.067 180 R HN 1.056 nan 8.270 nan 0.000 0.457 181 D N 3.227 123.733 120.400 0.178 0.000 2.710 181 D HA 0.202 4.748 4.640 -0.157 0.000 0.276 181 D C -0.627 175.804 176.300 0.219 0.000 1.267 181 D CA -0.603 53.498 54.000 0.169 0.000 0.772 181 D CB 1.244 42.142 40.800 0.163 0.000 1.299 181 D HN 0.215 nan 8.370 nan 0.000 0.421 182 I N 1.178 121.901 120.570 0.256 0.000 2.823 182 I HA 0.272 4.348 4.170 -0.157 0.000 0.290 182 I C 0.775 177.040 176.117 0.247 0.000 1.091 182 I CA -0.105 61.347 61.300 0.253 0.000 1.365 182 I CB 0.185 38.365 38.000 0.300 0.000 1.427 182 I HN 0.251 nan 8.210 nan 0.000 0.583 183 R N 2.367 123.010 120.500 0.239 0.000 2.562 183 R HA 0.541 4.787 4.340 -0.157 0.000 0.298 183 R C -0.114 176.303 176.300 0.195 0.000 0.961 183 R CA -0.733 55.510 56.100 0.238 0.000 0.881 183 R CB 1.501 31.970 30.300 0.283 0.000 1.159 183 R HN 0.803 nan 8.270 nan 0.000 0.450 184 G N 1.062 109.942 108.800 0.133 0.000 2.448 184 G HA2 0.466 4.332 3.960 -0.157 0.000 0.285 184 G HA3 0.466 4.332 3.960 -0.157 0.000 0.285 184 G C -1.245 173.678 174.900 0.039 0.000 1.176 184 G CA -0.056 45.086 45.100 0.069 0.000 0.852 184 G HN 0.365 nan 8.290 nan 0.000 0.530 185 F N 1.854 121.682 119.950 -0.203 0.000 3.090 185 F HA 0.629 5.060 4.527 -0.160 0.000 0.381 185 F C -0.229 175.275 175.800 -0.494 0.000 1.231 185 F CA -1.831 55.955 58.000 -0.358 0.000 1.177 185 F CB 1.018 39.917 39.000 -0.167 0.000 1.598 185 F HN 0.661 nan 8.300 nan 0.000 0.589 186 A N 3.433 125.978 122.820 -0.459 0.000 2.303 186 A HA 0.774 5.000 4.320 -0.157 0.000 0.320 186 A C -0.570 176.518 177.584 -0.825 0.000 1.192 186 A CA -0.422 51.164 52.037 -0.752 0.000 0.821 186 A CB 0.760 18.925 19.000 -1.391 0.000 1.188 186 A HN 0.537 nan 8.150 nan 0.000 0.492 187 T N 2.380 116.616 114.554 -0.530 0.000 2.809 187 T HA 0.384 4.640 4.350 -0.157 0.000 0.284 187 T C -0.328 174.140 174.700 -0.387 0.000 0.992 187 T CA -0.462 61.332 62.100 -0.510 0.000 0.957 187 T CB 1.057 69.582 68.868 -0.572 0.000 0.942 187 T HN 0.631 nan 8.240 nan 0.000 0.439 188 K N 3.498 123.773 120.400 -0.209 0.000 2.263 188 K HA 0.443 4.669 4.320 -0.157 0.000 0.272 188 K C -1.246 175.025 176.600 -0.550 0.000 1.033 188 K CA -0.583 55.531 56.287 -0.288 0.000 0.884 188 K CB 0.330 32.650 32.500 -0.299 0.000 1.107 188 K HN 0.397 nan 8.250 nan 0.000 0.460 189 F N 4.249 123.926 119.950 -0.455 0.000 2.391 189 F HA 0.231 4.662 4.527 -0.160 0.000 0.359 189 F C -0.374 175.219 175.800 -0.345 0.000 1.122 189 F CA -0.573 57.217 58.000 -0.350 0.000 1.120 189 F CB 0.692 39.410 39.000 -0.468 0.000 1.142 189 F HN 0.446 nan 8.300 nan 0.000 0.483 190 Y N 1.874 122.240 120.300 0.112 0.000 2.714 190 Y HA 0.211 4.668 4.550 -0.155 0.000 0.333 190 Y C 1.054 177.013 175.900 0.097 0.000 1.220 190 Y CA -0.881 57.264 58.100 0.075 0.000 1.513 190 Y CB -0.287 38.209 38.460 0.060 0.000 1.435 190 Y HN 0.554 nan 8.280 nan 0.000 0.489 191 T N -2.598 112.050 114.554 0.156 0.000 2.816 191 T HA 0.153 4.409 4.350 -0.157 0.000 0.282 191 T C 1.020 175.813 174.700 0.155 0.000 0.993 191 T CA -0.653 61.543 62.100 0.159 0.000 0.994 191 T CB 1.033 69.963 68.868 0.105 0.000 1.025 191 T HN 0.635 nan 8.240 nan 0.000 0.529 192 E N -0.056 120.240 120.200 0.160 0.000 2.418 192 E HA -0.027 4.229 4.350 -0.157 0.000 0.197 192 E C 0.959 177.625 176.600 0.111 0.000 1.026 192 E CA 0.644 57.121 56.400 0.128 0.000 0.862 192 E CB 0.130 29.903 29.700 0.121 0.000 0.799 192 E HN 0.722 nan 8.360 nan 0.000 0.518 193 E N 0.257 120.525 120.200 0.113 0.000 2.685 193 E HA 0.270 4.526 4.350 -0.157 0.000 0.208 193 E C 0.034 176.680 176.600 0.077 0.000 0.996 193 E CA -0.278 56.180 56.400 0.096 0.000 1.054 193 E CB 1.270 31.030 29.700 0.099 0.000 1.075 193 E HN 0.178 nan 8.360 nan 0.000 0.460 194 G N 1.145 109.985 108.800 0.066 0.000 2.459 194 G HA2 -0.120 3.746 3.960 -0.157 0.000 0.685 194 G HA3 -0.120 3.746 3.960 -0.157 0.000 0.685 194 G C -0.877 174.026 174.900 0.004 0.000 1.303 194 G CA -1.131 43.982 45.100 0.022 0.000 0.907 194 G HN 0.025 nan 8.290 nan 0.000 0.632 195 I N 0.741 121.274 120.570 -0.062 0.000 2.556 195 I HA 0.416 4.492 4.170 -0.157 0.000 0.284 195 I C 0.206 176.318 176.117 -0.009 0.000 1.114 195 I CA -0.170 61.069 61.300 -0.102 0.000 1.418 195 I CB 0.724 38.590 38.000 -0.222 0.000 1.394 195 I HN 0.488 nan 8.210 nan 0.000 0.552 196 F N 6.679 126.527 119.950 -0.171 0.000 2.427 196 F HA 0.453 4.886 4.527 -0.157 0.000 0.348 196 F C -0.615 175.165 175.800 -0.033 0.000 1.125 196 F CA -1.182 56.722 58.000 -0.160 0.000 0.989 196 F CB 0.776 39.541 39.000 -0.390 0.000 1.165 196 F HN 0.353 nan 8.300 nan 0.000 0.442 197 D N 6.602 126.777 120.400 -0.376 0.000 2.280 197 D HA 0.248 4.794 4.640 -0.157 0.000 0.236 197 D C -0.960 174.863 176.300 -0.796 0.000 1.082 197 D CA -0.147 53.591 54.000 -0.436 0.000 0.834 197 D CB 2.282 43.046 40.800 -0.059 0.000 1.100 197 D HN 0.510 nan 8.370 nan 0.000 0.486 198 L N 3.863 124.592 121.223 -0.823 0.000 2.272 198 L HA 0.242 4.488 4.340 -0.157 0.000 0.284 198 L C -0.967 175.706 176.870 -0.329 0.000 1.045 198 L CA -0.583 53.879 54.840 -0.631 0.000 0.842 198 L CB 1.019 42.755 42.059 -0.538 0.000 1.224 198 L HN 0.085 nan 8.230 nan 0.000 0.430 199 V N 6.088 125.863 119.914 -0.232 0.000 2.270 199 V HA 0.689 4.714 4.120 -0.157 0.000 0.263 199 V C 0.840 176.881 176.094 -0.089 0.000 1.066 199 V CA -0.014 62.173 62.300 -0.188 0.000 0.857 199 V CB 0.067 31.777 31.823 -0.189 0.000 1.099 199 V HN 0.845 nan 8.190 nan 0.000 0.476 200 G N 3.312 112.058 108.800 -0.091 0.000 3.016 200 G HA2 0.668 4.534 3.960 -0.157 0.000 0.270 200 G HA3 0.668 4.534 3.960 -0.157 0.000 0.270 200 G C -0.872 174.042 174.900 0.025 0.000 1.352 200 G CA -0.606 44.476 45.100 -0.030 0.000 1.060 200 G HN 0.486 nan 8.290 nan 0.000 0.538 201 N N -1.056 117.689 118.700 0.074 0.000 3.038 201 N HA 0.253 4.899 4.740 -0.157 0.000 0.307 201 N C 0.362 176.015 175.510 0.238 0.000 1.441 201 N CA -0.732 52.403 53.050 0.142 0.000 0.772 201 N CB 1.303 39.850 38.487 0.099 0.000 1.651 201 N HN 0.513 nan 8.380 nan 0.000 0.593 202 N N -1.406 117.451 118.700 0.262 0.000 2.270 202 N HA -0.004 4.642 4.740 -0.157 0.000 0.198 202 N C -0.508 175.226 175.510 0.374 0.000 1.117 202 N CA -0.036 53.224 53.050 0.351 0.000 0.845 202 N CB -0.099 38.581 38.487 0.323 0.000 0.980 202 N HN 0.542 nan 8.380 nan 0.000 0.486 203 T N -3.080 111.523 114.554 0.082 0.000 2.893 203 T HA 0.443 4.699 4.350 -0.157 0.000 0.291 203 T C -2.536 171.594 174.700 -0.951 0.000 1.028 203 T CA -1.712 60.048 62.100 -0.566 0.000 0.995 203 T CB 3.030 71.461 68.868 -0.729 0.000 1.051 203 T HN -0.236 nan 8.240 nan 0.000 0.470 204 P HA 0.177 nan 4.420 nan 0.000 0.245 204 P C 0.392 177.142 177.300 -0.916 0.000 1.212 204 P CA 0.101 62.249 63.100 -1.586 0.000 0.774 204 P CB -0.114 30.534 31.700 -1.753 0.000 0.999 205 I N -4.576 115.448 120.570 -0.910 0.000 3.174 205 I HA 0.537 4.613 4.170 -0.157 0.000 0.313 205 I C -1.360 174.469 176.117 -0.480 0.000 1.155 205 I CA -1.990 58.931 61.300 -0.631 0.000 0.977 205 I CB 1.505 39.099 38.000 -0.677 0.000 1.248 205 I HN -0.251 nan 8.210 nan 0.000 0.453 206 F N 0.817 120.484 119.950 -0.473 0.000 2.557 206 F HA 0.503 4.940 4.527 -0.149 0.000 0.336 206 F C 0.436 175.999 175.800 -0.395 0.000 1.058 206 F CA -0.717 57.044 58.000 -0.398 0.000 0.988 206 F CB 1.838 40.723 39.000 -0.192 0.000 1.275 206 F HN 0.412 nan 8.300 nan 0.000 0.488 207 F N 2.295 121.402 119.950 -1.405 0.000 2.234 207 F HA -0.007 4.424 4.527 -0.161 0.000 0.299 207 F C 0.771 176.231 175.800 -0.567 0.000 1.087 207 F CA 0.928 58.305 58.000 -1.039 0.000 1.340 207 F CB -0.123 37.854 39.000 -1.705 0.000 1.031 207 F HN 0.154 nan 8.300 nan 0.000 0.500 208 I N -3.129 117.354 120.570 -0.144 0.000 2.957 208 I HA 0.361 4.437 4.170 -0.157 0.000 0.310 208 I C 0.351 176.602 176.117 0.223 0.000 1.063 208 I CA -0.842 60.520 61.300 0.103 0.000 1.033 208 I CB 1.863 39.986 38.000 0.205 0.000 1.230 208 I HN -0.126 nan 8.210 nan 0.000 0.447 209 Q N 0.301 120.236 119.800 0.225 0.000 2.259 209 Q HA 0.138 4.384 4.340 -0.157 0.000 0.201 209 Q C -0.296 175.870 176.000 0.277 0.000 0.938 209 Q CA 0.586 56.567 55.803 0.296 0.000 0.872 209 Q CB 0.439 29.425 28.738 0.413 0.000 0.971 209 Q HN 0.648 nan 8.270 nan 0.000 0.494 210 D N -1.019 119.515 120.400 0.224 0.000 2.362 210 D HA 0.316 4.861 4.640 -0.157 0.000 0.247 210 D C -0.025 176.397 176.300 0.203 0.000 1.050 210 D CA -0.271 53.834 54.000 0.174 0.000 0.839 210 D CB 1.834 42.708 40.800 0.123 0.000 1.283 210 D HN 0.046 nan 8.370 nan 0.000 0.477 211 A N 3.296 126.207 122.820 0.152 0.000 2.076 211 A HA -0.224 4.002 4.320 -0.157 0.000 0.220 211 A C 1.771 179.467 177.584 0.186 0.000 1.160 211 A CA 1.598 53.719 52.037 0.140 0.000 0.653 211 A CB -0.739 18.285 19.000 0.040 0.000 0.801 211 A HN 0.808 nan 8.150 nan 0.000 0.455 212 H N 0.178 119.306 119.070 0.097 0.000 2.422 212 H HA -0.016 4.449 4.556 -0.151 0.000 0.298 212 H C 1.512 176.913 175.328 0.122 0.000 1.098 212 H CA 1.931 58.029 56.048 0.082 0.000 1.315 212 H CB 0.055 29.842 29.762 0.042 0.000 1.382 212 H HN 0.392 nan 8.280 nan 0.000 0.523 213 K N -0.468 120.044 120.400 0.187 0.000 2.458 213 K HA -0.035 4.191 4.320 -0.157 0.000 0.194 213 K C 1.306 178.033 176.600 0.211 0.000 1.024 213 K CA -0.044 56.352 56.287 0.183 0.000 1.108 213 K CB 0.039 32.704 32.500 0.275 0.000 0.846 213 K HN 0.291 nan 8.250 nan 0.000 0.518 214 F N 2.935 122.925 119.950 0.067 0.000 2.095 214 F HA -0.149 4.270 4.527 -0.181 0.000 0.298 214 F C -0.994 174.803 175.800 -0.004 0.000 1.104 214 F CA 1.413 59.472 58.000 0.098 0.000 1.232 214 F CB -0.476 38.565 39.000 0.067 0.000 0.987 214 F HN 0.028 nan 8.300 nan 0.000 0.475 215 P HA -0.148 nan 4.420 nan 0.000 0.216 215 P C 1.015 177.988 177.300 -0.545 0.000 1.150 215 P CA 1.799 64.643 63.100 -0.427 0.000 0.837 215 P CB -0.081 31.393 31.700 -0.378 0.000 0.786 216 D N -1.234 118.998 120.400 -0.280 0.000 2.084 216 D HA -0.164 4.382 4.640 -0.157 0.000 0.194 216 D C 1.829 177.848 176.300 -0.469 0.000 0.990 216 D CA 1.073 54.957 54.000 -0.194 0.000 0.826 216 D CB -0.910 39.954 40.800 0.107 0.000 0.971 216 D HN 0.157 nan 8.370 nan 0.000 0.453 217 F N 1.821 121.352 119.950 -0.699 0.000 2.075 217 F HA -0.233 4.194 4.527 -0.167 0.000 0.297 217 F C 2.302 177.706 175.800 -0.659 0.000 1.113 217 F CA 1.196 58.586 58.000 -1.017 0.000 1.218 217 F CB -0.220 38.428 39.000 -0.585 0.000 0.984 217 F HN -0.246 nan 8.300 nan 0.000 0.472 218 V N 0.347 119.843 119.914 -0.697 0.000 2.343 218 V HA -0.347 3.679 4.120 -0.157 0.000 0.247 218 V C 2.287 178.167 176.094 -0.356 0.000 1.051 218 V CA 2.469 64.403 62.300 -0.609 0.000 1.036 218 V CB -1.070 30.395 31.823 -0.597 0.000 0.654 218 V HN 0.480 nan 8.190 nan 0.000 0.451 219 H N -0.307 118.535 119.070 -0.380 0.000 2.387 219 H HA -0.139 4.325 4.556 -0.154 0.000 0.299 219 H C 2.326 177.504 175.328 -0.250 0.000 1.099 219 H CA 1.060 56.962 56.048 -0.243 0.000 1.315 219 H CB 0.030 29.698 29.762 -0.157 0.000 1.380 219 H HN 0.489 nan 8.280 nan 0.000 0.513 220 A N 0.414 123.063 122.820 -0.285 0.000 1.930 220 A HA -0.113 4.113 4.320 -0.157 0.000 0.217 220 A C 2.520 179.961 177.584 -0.238 0.000 1.175 220 A CA 1.374 53.239 52.037 -0.288 0.000 0.627 220 A CB -0.717 17.971 19.000 -0.520 0.000 0.815 220 A HN 0.298 nan 8.150 nan 0.000 0.443 221 V N -0.123 119.532 119.914 -0.432 0.000 2.591 221 V HA -0.018 4.008 4.120 -0.157 0.000 0.249 221 V C 0.984 177.067 176.094 -0.019 0.000 1.053 221 V CA 0.907 63.041 62.300 -0.276 0.000 1.068 221 V CB -0.453 31.013 31.823 -0.594 0.000 0.689 221 V HN 0.356 nan 8.190 nan 0.000 0.462 222 K N 0.963 121.305 120.400 -0.097 0.000 2.187 222 K HA 0.191 4.417 4.320 -0.157 0.000 0.247 222 K C -2.260 174.289 176.600 -0.084 0.000 1.019 222 K CA -1.488 54.752 56.287 -0.078 0.000 0.893 222 K CB -0.443 32.002 32.500 -0.091 0.000 1.025 222 K HN 0.180 nan 8.250 nan 0.000 0.500 223 P HA -0.034 nan 4.420 nan 0.000 0.265 223 P C -0.501 176.731 177.300 -0.114 0.000 1.187 223 P CA 0.444 63.405 63.100 -0.231 0.000 0.766 223 P CB 0.333 31.908 31.700 -0.207 0.000 0.820 224 E N 4.801 124.973 120.200 -0.048 0.000 2.398 224 E HA -0.001 4.255 4.350 -0.157 0.000 0.263 224 E C -1.231 175.433 176.600 0.108 0.000 1.046 224 E CA -1.334 55.150 56.400 0.140 0.000 0.908 224 E CB 0.082 29.993 29.700 0.351 0.000 0.963 224 E HN 0.417 nan 8.360 nan 0.000 0.431 225 P HA -0.220 nan 4.420 nan 0.000 0.219 225 P C 1.073 178.448 177.300 0.124 0.000 1.150 225 P CA 1.492 64.635 63.100 0.073 0.000 0.814 225 P CB -0.021 31.698 31.700 0.032 0.000 0.787 226 H N -0.588 118.517 119.070 0.058 0.000 2.293 226 H HA -0.107 4.354 4.556 -0.158 0.000 0.300 226 H C 1.552 176.977 175.328 0.162 0.000 1.082 226 H CA 1.634 57.706 56.048 0.040 0.000 1.308 226 H CB -1.523 28.193 29.762 -0.077 0.000 1.375 226 H HN 0.324 nan 8.280 nan 0.000 0.495 227 W N 0.007 120.971 121.300 -0.559 0.000 2.870 227 W HA 0.700 5.265 4.660 -0.159 0.000 0.358 227 W C 0.426 176.781 176.519 -0.273 0.000 1.043 227 W CA -1.137 55.989 57.345 -0.365 0.000 1.692 227 W CB -0.772 28.445 29.460 -0.405 0.000 1.100 227 W HN 0.470 nan 8.180 nan 0.000 0.557 228 A N 1.347 124.141 122.820 -0.042 0.000 2.667 228 A HA -0.136 4.090 4.320 -0.157 0.000 0.298 228 A C -0.464 176.884 177.584 -0.393 0.000 1.483 228 A CA 1.428 53.360 52.037 -0.175 0.000 0.738 228 A CB -2.380 16.544 19.000 -0.126 0.000 1.067 228 A HN 0.480 nan 8.150 nan 0.000 0.451 229 I N 0.641 120.838 120.570 -0.621 0.000 2.686 229 I HA 0.552 4.628 4.170 -0.157 0.000 0.295 229 I C -2.525 173.286 176.117 -0.510 0.000 1.114 229 I CA -2.294 58.534 61.300 -0.786 0.000 1.038 229 I CB 3.085 40.107 38.000 -1.631 0.000 1.238 229 I HN 0.228 nan 8.210 nan 0.000 0.420 230 P HA 0.333 nan 4.420 nan 0.000 0.292 230 P C -1.639 175.499 177.300 -0.271 0.000 1.308 230 P CA -0.874 62.004 63.100 -0.369 0.000 0.933 230 P CB 1.673 33.235 31.700 -0.230 0.000 1.217 231 Q N 0.658 120.343 119.800 -0.190 0.000 2.267 231 Q HA 0.486 4.732 4.340 -0.157 0.000 0.255 231 Q C 1.011 176.976 176.000 -0.059 0.000 0.923 231 Q CA 0.874 56.605 55.803 -0.121 0.000 0.925 231 Q CB -0.299 28.377 28.738 -0.104 0.000 1.195 231 Q HN 0.811 nan 8.270 nan 0.000 0.417 232 G N 3.247 112.026 108.800 -0.035 0.000 2.305 232 G HA2 -0.299 3.567 3.960 -0.157 0.000 0.287 232 G HA3 -0.299 3.567 3.960 -0.157 0.000 0.287 232 G C -0.418 174.505 174.900 0.039 0.000 1.036 232 G CA 0.661 45.767 45.100 0.011 0.000 0.887 232 G HN 0.547 nan 8.290 nan 0.000 0.505 233 Q N -1.267 118.543 119.800 0.015 0.000 2.309 233 Q HA 0.542 4.788 4.340 -0.157 0.000 0.273 233 Q C 0.744 176.767 176.000 0.037 0.000 1.040 233 Q CA -0.114 55.724 55.803 0.059 0.000 0.834 233 Q CB 1.754 30.561 28.738 0.115 0.000 1.345 233 Q HN 0.468 nan 8.270 nan 0.000 0.414 234 S N -0.536 115.090 115.700 -0.123 0.000 2.556 234 S HA 0.205 4.581 4.470 -0.157 0.000 0.216 234 S C 0.905 175.422 174.600 -0.139 0.000 0.970 234 S CA 0.037 57.925 58.200 -0.519 0.000 0.912 234 S CB 0.420 62.778 63.200 -1.403 0.000 0.790 234 S HN 0.590 nan 8.310 nan 0.000 0.504 235 A N 2.381 125.325 122.820 0.208 0.000 3.048 235 A HA 0.479 4.705 4.320 -0.157 0.000 0.264 235 A C 0.132 177.952 177.584 0.394 0.000 1.796 235 A CA -0.477 51.772 52.037 0.354 0.000 1.445 235 A CB -1.380 17.779 19.000 0.264 0.000 1.074 235 A HN 0.903 nan 8.150 nan 0.000 0.621 236 H N -3.698 115.562 119.070 0.317 0.000 3.037 236 H HA 0.510 4.971 4.556 -0.159 0.000 0.355 236 H C -0.157 175.367 175.328 0.326 0.000 1.263 236 H CA -0.770 55.430 56.048 0.254 0.000 1.129 236 H CB 0.314 30.186 29.762 0.182 0.000 1.861 236 H HN 0.077 nan 8.280 nan 0.000 0.546 237 D N 0.387 120.957 120.400 0.284 0.000 2.126 237 D HA -0.253 4.293 4.640 -0.157 0.000 0.190 237 D C 2.173 178.540 176.300 0.112 0.000 1.001 237 D CA 3.389 57.497 54.000 0.180 0.000 0.841 237 D CB -0.460 40.423 40.800 0.139 0.000 0.949 237 D HN 0.803 nan 8.370 nan 0.000 0.446 238 T N -1.560 113.057 114.554 0.104 0.000 2.720 238 T HA -0.234 4.022 4.350 -0.157 0.000 0.268 238 T C 1.931 176.572 174.700 -0.099 0.000 1.037 238 T CA 0.996 63.121 62.100 0.042 0.000 1.144 238 T CB -0.828 68.114 68.868 0.124 0.000 0.864 238 T HN 0.190 nan 8.240 nan 0.000 0.444 239 F N 0.853 120.491 119.950 -0.519 0.000 2.069 239 F HA 0.032 4.463 4.527 -0.161 0.000 0.298 239 F C 1.916 177.439 175.800 -0.461 0.000 1.113 239 F CA 1.007 58.624 58.000 -0.639 0.000 1.214 239 F CB -0.609 37.817 39.000 -0.957 0.000 0.978 239 F HN 0.164 nan 8.300 nan 0.000 0.474 240 W N 0.556 121.803 121.300 -0.088 0.000 2.467 240 W HA -0.088 4.481 4.660 -0.150 0.000 0.275 240 W C 2.281 178.731 176.519 -0.115 0.000 1.239 240 W CA 0.967 58.251 57.345 -0.101 0.000 1.266 240 W CB -0.616 28.865 29.460 0.035 0.000 1.112 240 W HN 0.089 nan 8.180 nan 0.000 0.576 241 D N -0.570 119.874 120.400 0.074 0.000 2.084 241 D HA -0.290 4.256 4.640 -0.157 0.000 0.194 241 D C 1.883 178.191 176.300 0.014 0.000 0.990 241 D CA 1.484 55.513 54.000 0.047 0.000 0.826 241 D CB -0.558 40.278 40.800 0.059 0.000 0.971 241 D HN 0.193 nan 8.370 nan 0.000 0.453 242 Y N 0.405 120.601 120.300 -0.173 0.000 2.097 242 Y HA -0.210 4.247 4.550 -0.154 0.000 0.282 242 Y C 2.322 178.088 175.900 -0.223 0.000 1.152 242 Y CA 1.615 59.597 58.100 -0.196 0.000 1.136 242 Y CB -0.466 37.833 38.460 -0.270 0.000 0.975 242 Y HN -0.114 nan 8.280 nan 0.000 0.498 243 V N 0.137 119.935 119.914 -0.192 0.000 2.287 243 V HA -0.364 3.662 4.120 -0.157 0.000 0.248 243 V C 2.635 178.680 176.094 -0.082 0.000 1.053 243 V CA 2.333 64.509 62.300 -0.206 0.000 1.027 243 V CB -1.248 30.347 31.823 -0.380 0.000 0.646 243 V HN 0.681 nan 8.190 nan 0.000 0.447 244 S N -0.362 115.339 115.700 0.001 0.000 2.442 244 S HA -0.102 4.274 4.470 -0.157 0.000 0.236 244 S C 1.679 176.252 174.600 -0.044 0.000 1.007 244 S CA 1.548 59.767 58.200 0.032 0.000 0.965 244 S CB -0.463 62.783 63.200 0.076 0.000 0.773 244 S HN 0.569 nan 8.310 nan 0.000 0.504 245 L N -0.097 121.050 121.223 -0.127 0.000 2.616 245 L HA 0.334 4.580 4.340 -0.157 0.000 0.229 245 L C 0.427 177.129 176.870 -0.280 0.000 1.110 245 L CA 0.059 54.797 54.840 -0.170 0.000 0.884 245 L CB 0.081 42.043 42.059 -0.163 0.000 1.115 245 L HN 0.249 nan 8.230 nan 0.000 0.481 246 Q N 0.465 120.055 119.800 -0.350 0.000 2.891 246 Q HA 0.235 4.481 4.340 -0.157 0.000 0.242 246 Q C -1.946 173.836 176.000 -0.363 0.000 0.959 246 Q CA -1.489 54.062 55.803 -0.420 0.000 0.707 246 Q CB 1.646 30.031 28.738 -0.588 0.000 1.283 246 Q HN -0.029 nan 8.270 nan 0.000 0.480 247 P HA -0.222 nan 4.420 nan 0.000 0.223 247 P C 0.956 177.935 177.300 -0.535 0.000 1.144 247 P CA 1.154 63.991 63.100 -0.437 0.000 0.783 247 P CB 0.285 31.683 31.700 -0.503 0.000 0.771 248 E N 0.653 120.416 120.200 -0.729 0.000 2.209 248 E HA -0.173 4.083 4.350 -0.157 0.000 0.196 248 E C 1.528 178.072 176.600 -0.092 0.000 0.993 248 E CA 1.861 58.089 56.400 -0.287 0.000 0.819 248 E CB -1.328 28.276 29.700 -0.160 0.000 0.745 248 E HN 0.292 nan 8.360 nan 0.000 0.477 249 T N -0.301 114.200 114.554 -0.087 0.000 2.995 249 T HA -0.024 4.232 4.350 -0.157 0.000 0.269 249 T C 2.021 176.787 174.700 0.109 0.000 1.091 249 T CA 0.609 62.723 62.100 0.025 0.000 1.128 249 T CB -0.407 68.498 68.868 0.061 0.000 0.891 249 T HN 0.140 nan 8.240 nan 0.000 0.492 250 L N 0.231 121.525 121.223 0.118 0.000 2.042 250 L HA -0.155 4.091 4.340 -0.157 0.000 0.210 250 L C 2.872 179.918 176.870 0.292 0.000 1.076 250 L CA 2.087 57.072 54.840 0.241 0.000 0.749 250 L CB -0.864 41.346 42.059 0.251 0.000 0.893 250 L HN 0.480 nan 8.230 nan 0.000 0.432 251 H N 0.046 119.170 119.070 0.090 0.000 2.290 251 H HA -0.225 4.237 4.556 -0.156 0.000 0.298 251 H C 2.207 177.539 175.328 0.007 0.000 1.087 251 H CA 1.958 58.057 56.048 0.084 0.000 1.291 251 H CB 0.157 29.932 29.762 0.021 0.000 1.369 251 H HN 0.377 nan 8.280 nan 0.000 0.492 252 N N -0.215 118.299 118.700 -0.309 0.000 2.244 252 N HA -0.131 4.515 4.740 -0.157 0.000 0.183 252 N C 1.981 177.315 175.510 -0.293 0.000 1.016 252 N CA 0.753 53.397 53.050 -0.677 0.000 0.866 252 N CB 0.250 37.846 38.487 -1.485 0.000 0.980 252 N HN 0.119 nan 8.380 nan 0.000 0.430 253 V N 1.710 121.677 119.914 0.089 0.000 2.332 253 V HA -0.266 3.760 4.120 -0.157 0.000 0.248 253 V C 2.491 178.741 176.094 0.260 0.000 1.055 253 V CA 1.321 63.835 62.300 0.357 0.000 1.038 253 V CB -0.363 31.724 31.823 0.441 0.000 0.651 253 V HN 0.412 nan 8.190 nan 0.000 0.450 254 M N -1.678 118.113 119.600 0.319 0.000 2.108 254 M HA -0.221 4.165 4.480 -0.157 0.000 0.261 254 M C 2.092 178.422 176.300 0.050 0.000 1.066 254 M CA 1.956 57.457 55.300 0.336 0.000 1.107 254 M CB -1.196 31.648 32.600 0.407 0.000 1.356 254 M HN 0.476 nan 8.290 nan 0.000 0.406 255 W N 0.530 121.571 121.300 -0.432 0.000 2.358 255 W HA -0.078 4.490 4.660 -0.153 0.000 0.303 255 W C 2.825 179.285 176.519 -0.098 0.000 1.208 255 W CA 1.746 58.821 57.345 -0.451 0.000 1.274 255 W CB -1.098 28.020 29.460 -0.570 0.000 1.138 255 W HN 0.287 nan 8.180 nan 0.000 0.515 256 A N -0.539 122.376 122.820 0.159 0.000 1.933 256 A HA -0.199 4.026 4.320 -0.157 0.000 0.218 256 A C 1.937 179.583 177.584 0.104 0.000 1.175 256 A CA 1.800 53.933 52.037 0.160 0.000 0.628 256 A CB -0.602 18.532 19.000 0.223 0.000 0.814 256 A HN 0.107 nan 8.150 nan 0.000 0.444 257 M N 0.667 120.289 119.600 0.037 0.000 2.492 257 M HA 0.015 4.401 4.480 -0.157 0.000 0.262 257 M C 1.441 177.798 176.300 0.096 0.000 1.090 257 M CA 0.799 56.059 55.300 -0.067 0.000 1.110 257 M CB -1.407 30.899 32.600 -0.488 0.000 1.407 257 M HN 0.552 nan 8.290 nan 0.000 0.470 258 S N 0.086 115.906 115.700 0.199 0.000 2.661 258 S HA 0.124 4.500 4.470 -0.157 0.000 0.265 258 S C 0.715 175.457 174.600 0.237 0.000 1.225 258 S CA -0.534 57.822 58.200 0.259 0.000 0.986 258 S CB 0.865 64.267 63.200 0.338 0.000 1.008 258 S HN 0.182 nan 8.310 nan 0.000 0.565 259 D N 0.085 120.644 120.400 0.266 0.000 2.371 259 D HA 0.030 4.576 4.640 -0.157 0.000 0.221 259 D C 1.825 178.281 176.300 0.260 0.000 0.986 259 D CA 0.292 54.466 54.000 0.291 0.000 0.899 259 D CB -0.165 40.875 40.800 0.401 0.000 0.902 259 D HN 0.364 nan 8.370 nan 0.000 0.530 260 R N 0.293 120.940 120.500 0.246 0.000 2.127 260 R HA -0.056 4.190 4.340 -0.157 0.000 0.238 260 R C 2.088 178.550 176.300 0.269 0.000 1.134 260 R CA 1.014 57.279 56.100 0.275 0.000 0.975 260 R CB -0.807 29.718 30.300 0.376 0.000 0.865 260 R HN 0.193 nan 8.270 nan 0.000 0.447 261 G N 1.248 110.197 108.800 0.247 0.000 2.679 261 G HA2 -0.042 3.824 3.960 -0.157 0.000 0.212 261 G HA3 -0.042 3.824 3.960 -0.157 0.000 0.212 261 G C 1.016 176.065 174.900 0.249 0.000 1.137 261 G CA 0.134 45.373 45.100 0.231 0.000 0.787 261 G HN 0.413 nan 8.290 nan 0.000 0.534 262 I N -1.946 118.780 120.570 0.260 0.000 2.925 262 I HA 0.363 4.439 4.170 -0.157 0.000 0.296 262 I C -2.871 173.405 176.117 0.266 0.000 1.413 262 I CA -2.664 58.796 61.300 0.266 0.000 0.932 262 I CB 1.726 39.884 38.000 0.264 0.000 1.873 262 I HN -0.270 nan 8.210 nan 0.000 0.619 263 P HA 0.059 nan 4.420 nan 0.000 0.269 263 P C 0.607 178.054 177.300 0.244 0.000 1.209 263 P CA -0.121 63.091 63.100 0.188 0.000 0.776 263 P CB 1.104 32.847 31.700 0.071 0.000 0.876 264 R N 2.097 122.720 120.500 0.205 0.000 2.092 264 R HA -0.007 4.239 4.340 -0.157 0.000 0.231 264 R C 0.472 176.919 176.300 0.245 0.000 1.119 264 R CA 1.710 57.981 56.100 0.284 0.000 0.970 264 R CB -0.436 30.007 30.300 0.239 0.000 0.864 264 R HN 0.569 nan 8.270 nan 0.000 0.440 265 S N -3.004 112.624 115.700 -0.120 0.000 2.567 265 S HA 0.215 4.591 4.470 -0.157 0.000 0.270 265 S C -0.199 174.079 174.600 -0.536 0.000 1.152 265 S CA -0.868 57.059 58.200 -0.456 0.000 0.835 265 S CB 0.063 63.154 63.200 -0.180 0.000 1.115 265 S HN 0.096 nan 8.310 nan 0.000 0.459 266 Y N 1.807 121.730 120.300 -0.629 0.000 2.333 266 Y HA 0.105 4.562 4.550 -0.155 0.000 0.290 266 Y C 2.465 178.028 175.900 -0.562 0.000 1.144 266 Y CA 1.137 58.753 58.100 -0.807 0.000 1.228 266 Y CB -0.396 37.185 38.460 -1.465 0.000 0.985 266 Y HN 0.576 nan 8.280 nan 0.000 0.542 267 R N -0.508 119.858 120.500 -0.223 0.000 2.189 267 R HA -0.058 4.188 4.340 -0.157 0.000 0.223 267 R C 1.058 177.320 176.300 -0.063 0.000 1.092 267 R CA 1.547 57.569 56.100 -0.130 0.000 0.989 267 R CB -0.394 29.825 30.300 -0.135 0.000 0.876 267 R HN 0.340 nan 8.270 nan 0.000 0.457 268 T N -1.792 112.740 114.554 -0.038 0.000 3.308 268 T HA 0.350 4.606 4.350 -0.157 0.000 0.270 268 T C 0.190 174.933 174.700 0.072 0.000 0.992 268 T CA -0.659 61.450 62.100 0.015 0.000 0.931 268 T CB -0.117 68.747 68.868 -0.007 0.000 1.142 268 T HN 0.063 nan 8.240 nan 0.000 0.525 269 M N -1.198 118.488 119.600 0.143 0.000 2.619 269 M HA 0.729 5.115 4.480 -0.157 0.000 0.297 269 M C -1.099 175.378 176.300 0.296 0.000 1.229 269 M CA -0.902 54.520 55.300 0.203 0.000 0.860 269 M CB 2.152 34.867 32.600 0.192 0.000 1.741 269 M HN -0.151 nan 8.290 nan 0.000 0.462 270 E N 0.455 120.819 120.200 0.273 0.000 2.345 270 E HA 0.639 4.895 4.350 -0.157 0.000 0.259 270 E C -0.312 176.346 176.600 0.097 0.000 1.117 270 E CA -0.555 55.936 56.400 0.151 0.000 0.913 270 E CB 1.664 31.393 29.700 0.047 0.000 1.057 270 E HN 0.865 nan 8.360 nan 0.000 0.432 271 G N 0.936 109.624 108.800 -0.186 0.000 2.542 271 G HA2 0.612 4.478 3.960 -0.157 0.000 0.311 271 G HA3 0.612 4.478 3.960 -0.157 0.000 0.311 271 G C -1.451 173.057 174.900 -0.654 0.000 1.298 271 G CA -0.440 44.511 45.100 -0.248 0.000 0.973 271 G HN 0.269 nan 8.290 nan 0.000 0.487 272 F N 0.057 119.925 119.950 -0.137 0.000 2.591 272 F HA 0.501 4.932 4.527 -0.159 0.000 0.309 272 F C 1.105 176.801 175.800 -0.173 0.000 1.098 272 F CA -0.556 57.296 58.000 -0.247 0.000 0.937 272 F CB 2.628 41.429 39.000 -0.330 0.000 1.250 272 F HN 0.588 nan 8.300 nan 0.000 0.447 273 G N 0.978 109.825 108.800 0.079 0.000 2.572 273 G HA2 0.104 3.970 3.960 -0.157 0.000 0.216 273 G HA3 0.104 3.970 3.960 -0.157 0.000 0.216 273 G C 1.227 176.175 174.900 0.080 0.000 1.133 273 G CA 0.880 46.080 45.100 0.166 0.000 0.791 273 G HN 0.806 nan 8.290 nan 0.000 0.538 274 I N -1.122 119.423 120.570 -0.042 0.000 4.624 274 I HA -0.318 3.758 4.170 -0.157 0.000 0.049 274 I C 0.530 176.521 176.117 -0.211 0.000 0.621 274 I CA 1.511 62.664 61.300 -0.244 0.000 0.836 274 I CB -1.150 36.600 38.000 -0.417 0.000 0.765 274 I HN 0.258 nan 8.210 nan 0.000 0.159 275 H N 2.121 121.217 119.070 0.044 0.000 2.690 275 H HA 0.230 4.691 4.556 -0.159 0.000 0.365 275 H C 0.073 175.377 175.328 -0.040 0.000 1.142 275 H CA 0.538 56.537 56.048 -0.083 0.000 1.417 275 H CB 0.320 29.885 29.762 -0.328 0.000 1.446 275 H HN 0.181 nan 8.280 nan 0.000 0.599 276 T N 3.812 118.364 114.554 -0.005 0.000 2.761 276 T HA 0.250 4.506 4.350 -0.157 0.000 0.296 276 T C 0.221 174.895 174.700 -0.043 0.000 0.934 276 T CA 0.009 62.090 62.100 -0.031 0.000 1.091 276 T CB -0.167 68.617 68.868 -0.141 0.000 0.896 276 T HN 0.243 nan 8.240 nan 0.000 0.515 277 F N 1.368 121.300 119.950 -0.029 0.000 2.629 277 F HA 0.660 5.091 4.527 -0.161 0.000 0.386 277 F C 1.005 176.788 175.800 -0.028 0.000 1.135 277 F CA -1.331 56.685 58.000 0.027 0.000 1.116 277 F CB 1.377 40.404 39.000 0.045 0.000 1.426 277 F HN 0.175 nan 8.300 nan 0.000 0.501 278 R N 0.589 121.180 120.500 0.152 0.000 2.740 278 R HA 0.633 4.879 4.340 -0.157 0.000 0.282 278 R C -1.682 174.524 176.300 -0.156 0.000 0.969 278 R CA -0.881 55.169 56.100 -0.083 0.000 0.918 278 R CB 2.007 32.196 30.300 -0.186 0.000 1.175 278 R HN 0.425 nan 8.270 nan 0.000 0.464 279 L N 3.828 124.903 121.223 -0.246 0.000 2.295 279 L HA 0.514 4.760 4.340 -0.157 0.000 0.285 279 L C -0.499 176.223 176.870 -0.247 0.000 1.035 279 L CA -0.885 53.813 54.840 -0.236 0.000 0.806 279 L CB 1.323 43.240 42.059 -0.236 0.000 1.214 279 L HN 0.367 nan 8.230 nan 0.000 0.426 280 I N 3.124 123.570 120.570 -0.207 0.000 2.406 280 I HA 0.285 4.361 4.170 -0.157 0.000 0.290 280 I C -0.118 175.913 176.117 -0.143 0.000 0.999 280 I CA -0.650 60.531 61.300 -0.199 0.000 1.124 280 I CB 1.394 39.284 38.000 -0.184 0.000 1.289 280 I HN 0.626 nan 8.210 nan 0.000 0.441 281 N N 5.002 123.629 118.700 -0.122 0.000 2.538 281 N HA 0.399 5.045 4.740 -0.157 0.000 0.292 281 N C 0.832 176.300 175.510 -0.070 0.000 1.262 281 N CA -0.342 52.655 53.050 -0.088 0.000 0.976 281 N CB 0.461 38.904 38.487 -0.074 0.000 1.161 281 N HN 0.505 nan 8.380 nan 0.000 0.598 282 A N -0.458 122.330 122.820 -0.053 0.000 1.933 282 A HA -0.201 4.025 4.320 -0.157 0.000 0.218 282 A C 1.685 179.247 177.584 -0.036 0.000 1.175 282 A CA 1.802 53.813 52.037 -0.042 0.000 0.628 282 A CB -1.129 17.852 19.000 -0.031 0.000 0.814 282 A HN 0.887 nan 8.150 nan 0.000 0.444 283 E N -1.619 118.561 120.200 -0.033 0.000 2.418 283 E HA 0.287 4.543 4.350 -0.157 0.000 0.197 283 E C 1.103 177.691 176.600 -0.019 0.000 1.026 283 E CA 0.596 56.982 56.400 -0.025 0.000 0.862 283 E CB -0.384 29.303 29.700 -0.021 0.000 0.799 283 E HN 0.827 nan 8.360 nan 0.000 0.518 284 G N 1.508 110.293 108.800 -0.025 0.000 2.159 284 G HA2 -0.354 3.512 3.960 -0.157 0.000 0.227 284 G HA3 -0.354 3.512 3.960 -0.157 0.000 0.227 284 G C 0.097 175.012 174.900 0.025 0.000 0.986 284 G CA 0.111 45.213 45.100 0.004 0.000 0.651 284 G HN 0.371 nan 8.290 nan 0.000 0.523 285 K N 0.802 121.180 120.400 -0.036 0.000 2.322 285 K HA 0.660 4.886 4.320 -0.157 0.000 0.283 285 K C 0.536 177.000 176.600 -0.225 0.000 1.042 285 K CA 0.189 56.429 56.287 -0.079 0.000 0.958 285 K CB 0.630 33.086 32.500 -0.075 0.000 0.984 285 K HN 0.630 nan 8.250 nan 0.000 0.473 286 A N 3.528 126.095 122.820 -0.422 0.000 2.301 286 A HA 0.415 4.641 4.320 -0.157 0.000 0.312 286 A C -0.758 176.497 177.584 -0.547 0.000 1.182 286 A CA -0.537 51.084 52.037 -0.693 0.000 0.826 286 A CB 1.146 19.277 19.000 -1.449 0.000 1.134 286 A HN 0.744 nan 8.150 nan 0.000 0.501 287 T N 2.437 116.712 114.554 -0.465 0.000 2.824 287 T HA 0.520 4.776 4.350 -0.157 0.000 0.282 287 T C -0.691 173.797 174.700 -0.354 0.000 0.993 287 T CA -0.076 61.808 62.100 -0.360 0.000 0.967 287 T CB 0.362 69.110 68.868 -0.200 0.000 0.960 287 T HN 0.338 nan 8.240 nan 0.000 0.441 288 F N 2.308 122.166 119.950 -0.154 0.000 2.484 288 F HA 0.510 4.942 4.527 -0.158 0.000 0.360 288 F C 0.565 176.250 175.800 -0.191 0.000 1.101 288 F CA -0.432 57.474 58.000 -0.156 0.000 1.251 288 F CB 0.656 39.586 39.000 -0.117 0.000 1.132 288 F HN 0.185 nan 8.300 nan 0.000 0.570 289 V N 4.974 124.855 119.914 -0.056 0.000 2.888 289 V HA 0.608 4.634 4.120 -0.157 0.000 0.309 289 V C -1.015 174.852 176.094 -0.377 0.000 1.114 289 V CA -0.790 61.321 62.300 -0.314 0.000 0.940 289 V CB 2.153 33.571 31.823 -0.675 0.000 1.021 289 V HN 0.761 nan 8.190 nan 0.000 0.426 290 R N 4.814 125.125 120.500 -0.315 0.000 2.494 290 R HA 0.541 4.787 4.340 -0.157 0.000 0.305 290 R C -1.618 174.562 176.300 -0.201 0.000 0.959 290 R CA -0.447 55.519 56.100 -0.224 0.000 0.864 290 R CB 2.001 32.291 30.300 -0.016 0.000 1.159 290 R HN 0.592 nan 8.270 nan 0.000 0.446 291 F N 2.270 122.244 119.950 0.040 0.000 2.384 291 F HA 0.356 4.788 4.527 -0.159 0.000 0.338 291 F C 1.010 176.743 175.800 -0.112 0.000 1.103 291 F CA 0.007 57.997 58.000 -0.017 0.000 1.157 291 F CB 0.836 39.724 39.000 -0.187 0.000 1.167 291 F HN 0.209 nan 8.300 nan 0.000 0.529 292 H N 0.890 119.941 119.070 -0.032 0.000 2.851 292 H HA 0.229 4.692 4.556 -0.155 0.000 0.372 292 H C -1.616 173.472 175.328 -0.399 0.000 1.158 292 H CA -1.018 54.905 56.048 -0.209 0.000 1.159 292 H CB 1.962 31.692 29.762 -0.053 0.000 1.757 292 H HN 0.678 nan 8.280 nan 0.000 0.546 293 W N 2.538 123.724 121.300 -0.191 0.000 2.411 293 W HA 0.305 4.869 4.660 -0.161 0.000 0.317 293 W C -0.094 176.440 176.519 0.025 0.000 1.030 293 W CA -0.752 56.522 57.345 -0.118 0.000 1.239 293 W CB 1.639 30.843 29.460 -0.427 0.000 1.304 293 W HN 0.275 nan 8.180 nan 0.000 0.437 294 K N 6.108 126.763 120.400 0.426 0.000 2.240 294 K HA 0.357 4.583 4.320 -0.157 0.000 0.271 294 K C -2.339 174.489 176.600 0.380 0.000 1.018 294 K CA -1.896 54.583 56.287 0.320 0.000 0.874 294 K CB 1.304 33.944 32.500 0.232 0.000 1.098 294 K HN 0.048 nan 8.250 nan 0.000 0.458 295 P HA 0.014 nan 4.420 nan 0.000 0.270 295 P C 0.305 177.629 177.300 0.041 0.000 1.242 295 P CA 0.039 63.236 63.100 0.162 0.000 0.768 295 P CB 0.721 32.526 31.700 0.174 0.000 0.820 296 L N 2.795 123.983 121.223 -0.057 0.000 2.465 296 L HA -0.051 4.195 4.340 -0.157 0.000 0.224 296 L C 2.217 179.073 176.870 -0.024 0.000 1.145 296 L CA 0.963 55.799 54.840 -0.006 0.000 0.834 296 L CB -0.502 41.562 42.059 0.009 0.000 0.944 296 L HN 0.343 nan 8.230 nan 0.000 0.451 297 A N -0.063 122.717 122.820 -0.066 0.000 2.238 297 A HA 0.416 4.642 4.320 -0.157 0.000 0.208 297 A C 1.256 178.841 177.584 0.002 0.000 1.177 297 A CA 0.665 52.679 52.037 -0.038 0.000 0.804 297 A CB -0.311 18.649 19.000 -0.067 0.000 0.823 297 A HN 0.438 nan 8.150 nan 0.000 0.482 298 G N -0.579 108.235 108.800 0.024 0.000 2.756 298 G HA2 -0.133 3.733 3.960 -0.157 0.000 0.678 298 G HA3 -0.133 3.733 3.960 -0.157 0.000 0.678 298 G C -0.647 174.283 174.900 0.051 0.000 1.349 298 G CA -0.429 44.703 45.100 0.053 0.000 0.847 298 G HN 0.469 nan 8.290 nan 0.000 0.548 299 K N 0.154 120.587 120.400 0.054 0.000 2.201 299 K HA 0.691 4.917 4.320 -0.157 0.000 0.278 299 K C 0.236 176.823 176.600 -0.022 0.000 1.027 299 K CA 0.292 56.592 56.287 0.021 0.000 0.909 299 K CB 1.672 34.169 32.500 -0.005 0.000 1.062 299 K HN 1.482 nan 8.250 nan 0.000 0.465 300 A N 1.824 124.622 122.820 -0.036 0.000 2.513 300 A HA 0.539 4.765 4.320 -0.157 0.000 0.296 300 A C -1.130 176.496 177.584 0.069 0.000 1.052 300 A CA -0.687 51.285 52.037 -0.107 0.000 0.714 300 A CB 1.639 20.439 19.000 -0.333 0.000 1.279 300 A HN 0.499 nan 8.150 nan 0.000 0.397 301 S N 0.887 116.772 115.700 0.308 0.000 2.599 301 S HA 0.752 5.128 4.470 -0.157 0.000 0.287 301 S C 0.061 174.973 174.600 0.520 0.000 1.105 301 S CA -0.588 57.844 58.200 0.386 0.000 0.899 301 S CB 1.229 64.649 63.200 0.367 0.000 1.100 301 S HN 0.645 nan 8.310 nan 0.000 0.482 302 L N 1.296 122.721 121.223 0.337 0.000 2.540 302 L HA 0.534 4.780 4.340 -0.157 0.000 0.215 302 L C -0.034 176.951 176.870 0.192 0.000 1.204 302 L CA -0.704 54.259 54.840 0.206 0.000 0.841 302 L CB 0.118 42.210 42.059 0.056 0.000 1.420 302 L HN 0.482 nan 8.230 nan 0.000 0.519 303 V N -3.385 116.535 119.914 0.011 0.000 2.715 303 V HA 0.179 4.205 4.120 -0.157 0.000 0.310 303 V C 0.619 176.647 176.094 -0.111 0.000 1.054 303 V CA -0.877 61.395 62.300 -0.047 0.000 0.928 303 V CB 1.577 33.343 31.823 -0.096 0.000 1.007 303 V HN 0.920 nan 8.190 nan 0.000 0.437 304 W N 2.210 123.375 121.300 -0.226 0.000 2.304 304 W HA -0.258 4.308 4.660 -0.158 0.000 0.315 304 W C 1.733 178.094 176.519 -0.262 0.000 1.233 304 W CA 2.716 59.922 57.345 -0.232 0.000 1.261 304 W CB -0.083 29.224 29.460 -0.256 0.000 1.150 304 W HN 1.009 nan 8.180 nan 0.000 0.494 305 D N 0.118 120.230 120.400 -0.479 0.000 2.123 305 D HA -0.286 4.260 4.640 -0.157 0.000 0.196 305 D C 2.165 178.100 176.300 -0.608 0.000 0.992 305 D CA 2.192 55.884 54.000 -0.513 0.000 0.833 305 D CB -0.527 40.228 40.800 -0.075 0.000 0.954 305 D HN 0.381 nan 8.370 nan 0.000 0.455 306 E N -0.335 119.352 120.200 -0.855 0.000 2.051 306 E HA -0.222 4.034 4.350 -0.157 0.000 0.192 306 E C 2.017 178.270 176.600 -0.578 0.000 0.991 306 E CA 1.125 56.983 56.400 -0.903 0.000 0.799 306 E CB -0.231 28.841 29.700 -1.047 0.000 0.748 306 E HN 0.304 nan 8.360 nan 0.000 0.449 307 A N 1.169 123.666 122.820 -0.538 0.000 1.883 307 A HA -0.279 3.947 4.320 -0.157 0.000 0.217 307 A C 2.196 179.437 177.584 -0.572 0.000 1.186 307 A CA 1.914 53.678 52.037 -0.454 0.000 0.624 307 A CB -0.791 18.036 19.000 -0.289 0.000 0.822 307 A HN 0.464 nan 8.150 nan 0.000 0.444 308 Q N -0.694 118.552 119.800 -0.923 0.000 2.084 308 Q HA -0.210 4.036 4.340 -0.157 0.000 0.202 308 Q C 2.112 177.844 176.000 -0.446 0.000 0.978 308 Q CA 1.955 57.264 55.803 -0.824 0.000 0.844 308 Q CB -0.116 27.903 28.738 -1.198 0.000 0.898 308 Q HN 0.626 nan 8.270 nan 0.000 0.426 309 K N -0.175 119.982 120.400 -0.404 0.000 2.097 309 K HA -0.139 4.087 4.320 -0.157 0.000 0.205 309 K C 1.900 178.362 176.600 -0.230 0.000 1.050 309 K CA 0.757 56.897 56.287 -0.245 0.000 0.938 309 K CB -0.091 32.305 32.500 -0.173 0.000 0.718 309 K HN 0.149 nan 8.250 nan 0.000 0.442 310 L N 0.979 122.020 121.223 -0.304 0.000 2.201 310 L HA -0.118 4.128 4.340 -0.157 0.000 0.212 310 L C 2.044 178.777 176.870 -0.228 0.000 1.105 310 L CA 2.056 56.711 54.840 -0.308 0.000 0.775 310 L CB -0.908 40.879 42.059 -0.454 0.000 0.913 310 L HN 0.399 nan 8.230 nan 0.000 0.440 311 T N -4.592 109.833 114.554 -0.215 0.000 2.881 311 T HA -0.056 4.200 4.350 -0.157 0.000 0.270 311 T C 1.845 176.483 174.700 -0.104 0.000 1.068 311 T CA 0.954 62.969 62.100 -0.141 0.000 1.131 311 T CB -0.842 67.955 68.868 -0.119 0.000 0.871 311 T HN 0.357 nan 8.240 nan 0.000 0.479 312 G N 1.064 109.797 108.800 -0.112 0.000 2.441 312 G HA2 0.010 3.876 3.960 -0.157 0.000 0.212 312 G HA3 0.010 3.876 3.960 -0.157 0.000 0.212 312 G C 1.905 176.763 174.900 -0.070 0.000 1.164 312 G CA -0.284 44.767 45.100 -0.081 0.000 0.811 312 G HN 0.299 nan 8.290 nan 0.000 0.535 313 R N 0.232 120.681 120.500 -0.085 0.000 2.115 313 R HA 0.055 4.301 4.340 -0.157 0.000 0.226 313 R C -0.180 176.094 176.300 -0.044 0.000 1.100 313 R CA 0.762 56.824 56.100 -0.063 0.000 0.980 313 R CB -0.141 30.114 30.300 -0.075 0.000 0.875 313 R HN 0.339 nan 8.270 nan 0.000 0.445 314 D N -0.540 119.829 120.400 -0.052 0.000 2.445 314 D HA 0.138 4.684 4.640 -0.157 0.000 0.236 314 D C -2.148 174.150 176.300 -0.003 0.000 1.315 314 D CA -1.684 52.316 54.000 -0.000 0.000 0.924 314 D CB 1.288 42.133 40.800 0.075 0.000 1.447 314 D HN -0.154 nan 8.370 nan 0.000 0.532 315 P HA 0.005 nan 4.420 nan 0.000 0.228 315 P C 0.025 177.326 177.300 0.002 0.000 1.151 315 P CA 0.669 63.755 63.100 -0.023 0.000 0.770 315 P CB 0.451 32.134 31.700 -0.027 0.000 0.786 316 D N -1.523 118.890 120.400 0.021 0.000 2.463 316 D HA 0.087 4.633 4.640 -0.157 0.000 0.224 316 D C 1.161 177.492 176.300 0.052 0.000 1.174 316 D CA -0.471 53.545 54.000 0.026 0.000 0.829 316 D CB -0.584 40.210 40.800 -0.010 0.000 0.993 316 D HN 0.121 nan 8.370 nan 0.000 0.497 317 F N 1.164 121.052 119.950 -0.102 0.000 2.095 317 F HA -0.235 4.198 4.527 -0.158 0.000 0.298 317 F C 2.084 177.856 175.800 -0.046 0.000 1.104 317 F CA 1.867 59.803 58.000 -0.106 0.000 1.232 317 F CB 0.105 38.990 39.000 -0.191 0.000 0.987 317 F HN 0.116 nan 8.300 nan 0.000 0.475 318 H N -1.195 117.776 119.070 -0.165 0.000 2.395 318 H HA -0.081 4.380 4.556 -0.158 0.000 0.299 318 H C 2.363 177.570 175.328 -0.200 0.000 1.070 318 H CA 0.877 56.684 56.048 -0.402 0.000 1.356 318 H CB -0.107 29.253 29.762 -0.670 0.000 1.401 318 H HN 0.175 nan 8.280 nan 0.000 0.524 319 R N 1.323 121.904 120.500 0.135 0.000 2.081 319 R HA -0.141 4.105 4.340 -0.157 0.000 0.235 319 R C 2.434 178.829 176.300 0.158 0.000 1.131 319 R CA 1.390 57.623 56.100 0.223 0.000 0.960 319 R CB -0.045 30.374 30.300 0.198 0.000 0.856 319 R HN 0.195 nan 8.270 nan 0.000 0.436 320 R N 0.414 120.931 120.500 0.028 0.000 2.073 320 R HA -0.203 4.043 4.340 -0.157 0.000 0.234 320 R C 2.194 178.491 176.300 -0.007 0.000 1.134 320 R CA 2.078 58.179 56.100 0.002 0.000 0.952 320 R CB -0.220 30.043 30.300 -0.062 0.000 0.850 320 R HN 0.308 nan 8.270 nan 0.000 0.433 321 E N 0.537 120.621 120.200 -0.193 0.000 2.077 321 E HA -0.219 4.037 4.350 -0.157 0.000 0.193 321 E C 1.899 178.465 176.600 -0.055 0.000 0.989 321 E CA 1.388 57.649 56.400 -0.231 0.000 0.800 321 E CB -0.360 29.028 29.700 -0.520 0.000 0.746 321 E HN 0.340 nan 8.360 nan 0.000 0.452 322 L N 0.079 121.313 121.223 0.018 0.000 2.027 322 L HA -0.065 4.181 4.340 -0.157 0.000 0.206 322 L C 2.223 179.192 176.870 0.165 0.000 1.074 322 L CA 2.014 56.913 54.840 0.098 0.000 0.745 322 L CB -0.919 41.260 42.059 0.200 0.000 0.898 322 L HN 0.416 nan 8.230 nan 0.000 0.433 323 W N 0.978 122.311 121.300 0.055 0.000 2.335 323 W HA -0.222 4.343 4.660 -0.159 0.000 0.311 323 W C 2.185 178.735 176.519 0.051 0.000 1.213 323 W CA 2.229 59.618 57.345 0.074 0.000 1.274 323 W CB -0.123 29.382 29.460 0.075 0.000 1.148 323 W HN 0.351 nan 8.180 nan 0.000 0.498 324 E N -0.145 120.237 120.200 0.303 0.000 2.208 324 E HA -0.115 4.141 4.350 -0.157 0.000 0.193 324 E C 2.309 178.946 176.600 0.061 0.000 0.988 324 E CA 0.925 57.424 56.400 0.166 0.000 0.828 324 E CB -0.262 29.487 29.700 0.082 0.000 0.763 324 E HN 0.193 nan 8.360 nan 0.000 0.478 325 A N 1.212 124.065 122.820 0.055 0.000 1.898 325 A HA -0.137 4.089 4.320 -0.157 0.000 0.216 325 A C 2.136 179.760 177.584 0.066 0.000 1.181 325 A CA 0.878 52.942 52.037 0.045 0.000 0.620 325 A CB -0.433 18.590 19.000 0.038 0.000 0.819 325 A HN 0.118 nan 8.150 nan 0.000 0.442 326 I N -0.422 120.202 120.570 0.090 0.000 2.252 326 I HA -0.229 3.847 4.170 -0.157 0.000 0.245 326 I C 2.416 178.618 176.117 0.141 0.000 1.102 326 I CA 1.387 62.791 61.300 0.173 0.000 1.385 326 I CB -0.425 37.585 38.000 0.016 0.000 1.064 326 I HN 0.419 nan 8.210 nan 0.000 0.414 327 E N 0.826 121.046 120.200 0.034 0.000 2.204 327 E HA -0.169 4.087 4.350 -0.157 0.000 0.194 327 E C 2.161 178.789 176.600 0.047 0.000 0.989 327 E CA 1.172 57.603 56.400 0.052 0.000 0.824 327 E CB -0.049 29.709 29.700 0.096 0.000 0.756 327 E HN 0.501 nan 8.360 nan 0.000 0.477 328 A N 0.056 122.884 122.820 0.013 0.000 2.123 328 A HA 0.214 4.440 4.320 -0.157 0.000 0.214 328 A C 1.757 179.295 177.584 -0.075 0.000 1.152 328 A CA 0.964 52.987 52.037 -0.022 0.000 0.728 328 A CB 0.009 18.980 19.000 -0.048 0.000 0.814 328 A HN 0.324 nan 8.150 nan 0.000 0.464 329 G N -0.423 108.267 108.800 -0.183 0.000 2.141 329 G HA2 -0.171 3.694 3.960 -0.157 0.000 0.231 329 G HA3 -0.171 3.694 3.960 -0.157 0.000 0.231 329 G C -0.324 174.128 174.900 -0.746 0.000 0.984 329 G CA 0.194 44.895 45.100 -0.665 0.000 0.660 329 G HN 0.423 nan 8.290 nan 0.000 0.525 330 D N 0.967 121.178 120.400 -0.316 0.000 3.057 330 D HA 0.266 4.812 4.640 -0.157 0.000 0.246 330 D C 0.791 177.053 176.300 -0.062 0.000 1.238 330 D CA -0.214 53.686 54.000 -0.166 0.000 0.949 330 D CB -0.632 40.165 40.800 -0.004 0.000 1.086 330 D HN 0.453 nan 8.370 nan 0.000 0.487 331 F N 1.428 121.377 119.950 -0.002 0.000 2.602 331 F HA 0.079 4.512 4.527 -0.156 0.000 0.385 331 F C -1.398 174.364 175.800 -0.063 0.000 1.063 331 F CA -1.931 56.057 58.000 -0.020 0.000 1.233 331 F CB -0.093 38.907 39.000 -0.000 0.000 1.067 331 F HN -0.113 nan 8.300 nan 0.000 0.564 332 P HA 0.010 nan 4.420 nan 0.000 0.262 332 P C -1.024 176.188 177.300 -0.147 0.000 1.199 332 P CA 0.444 63.503 63.100 -0.067 0.000 0.763 332 P CB 0.410 32.145 31.700 0.057 0.000 0.790 333 E N 2.608 122.595 120.200 -0.355 0.000 2.234 333 E HA 0.420 4.676 4.350 -0.157 0.000 0.266 333 E C -1.016 175.303 176.600 -0.469 0.000 0.877 333 E CA -0.578 55.676 56.400 -0.244 0.000 0.758 333 E CB 1.407 31.072 29.700 -0.059 0.000 1.170 333 E HN 0.375 nan 8.360 nan 0.000 0.415 334 Y N 0.447 120.819 120.300 0.120 0.000 2.462 334 Y HA 0.268 4.725 4.550 -0.154 0.000 0.346 334 Y C -0.109 176.025 175.900 0.390 0.000 0.976 334 Y CA -0.988 57.260 58.100 0.246 0.000 1.044 334 Y CB 1.935 40.514 38.460 0.198 0.000 1.230 334 Y HN 0.465 nan 8.280 nan 0.000 0.455 335 E N 2.639 123.168 120.200 0.548 0.000 2.134 335 E HA 0.383 4.639 4.350 -0.157 0.000 0.278 335 E C -1.488 175.372 176.600 0.434 0.000 0.959 335 E CA -0.943 55.715 56.400 0.429 0.000 0.783 335 E CB 0.962 30.850 29.700 0.312 0.000 1.095 335 E HN 0.582 nan 8.360 nan 0.000 0.399 336 L N 4.374 125.774 121.223 0.295 0.000 2.367 336 L HA 0.505 4.751 4.340 -0.157 0.000 0.275 336 L C -0.094 176.684 176.870 -0.154 0.000 1.129 336 L CA 0.566 55.296 54.840 -0.182 0.000 0.839 336 L CB 1.022 42.919 42.059 -0.271 0.000 1.133 336 L HN 0.570 nan 8.230 nan 0.000 0.453 337 G N 4.689 113.423 108.800 -0.111 0.000 2.638 337 G HA2 0.550 4.416 3.960 -0.157 0.000 0.302 337 G HA3 0.550 4.416 3.960 -0.157 0.000 0.302 337 G C -1.558 173.474 174.900 0.220 0.000 1.365 337 G CA -0.493 44.591 45.100 -0.026 0.000 0.987 337 G HN 0.468 nan 8.290 nan 0.000 0.495 338 F N 0.355 120.301 119.950 -0.007 0.000 2.482 338 F HA 0.390 4.824 4.527 -0.156 0.000 0.331 338 F C 0.400 176.179 175.800 -0.035 0.000 1.115 338 F CA -0.970 57.024 58.000 -0.011 0.000 0.955 338 F CB 2.596 41.576 39.000 -0.032 0.000 1.136 338 F HN 0.128 nan 8.300 nan 0.000 0.452 339 Q N 4.455 124.352 119.800 0.161 0.000 2.331 339 Q HA 0.460 4.706 4.340 -0.157 0.000 0.257 339 Q C -1.053 174.976 176.000 0.049 0.000 0.957 339 Q CA -0.439 55.414 55.803 0.083 0.000 0.923 339 Q CB 1.929 30.728 28.738 0.100 0.000 1.212 339 Q HN 0.541 nan 8.270 nan 0.000 0.443 340 L N 4.411 125.674 121.223 0.067 0.000 2.296 340 L HA 0.549 4.795 4.340 -0.157 0.000 0.286 340 L C -0.773 176.146 176.870 0.082 0.000 1.023 340 L CA -0.773 54.096 54.840 0.048 0.000 0.812 340 L CB 1.092 43.187 42.059 0.061 0.000 1.223 340 L HN 0.498 nan 8.230 nan 0.000 0.421 341 I N 4.853 125.487 120.570 0.105 0.000 2.447 341 I HA 0.403 4.479 4.170 -0.157 0.000 0.287 341 I C -2.270 173.948 176.117 0.169 0.000 1.023 341 I CA -1.912 59.496 61.300 0.181 0.000 1.083 341 I CB 1.830 39.971 38.000 0.236 0.000 1.245 341 I HN 0.305 nan 8.210 nan 0.000 0.434 342 P HA 0.027 nan 4.420 nan 0.000 0.267 342 P C 0.720 178.069 177.300 0.081 0.000 1.200 342 P CA -0.087 63.039 63.100 0.044 0.000 0.772 342 P CB 0.797 32.521 31.700 0.040 0.000 0.855 343 E N 1.677 121.829 120.200 -0.081 0.000 2.085 343 E HA -0.273 3.982 4.350 -0.157 0.000 0.194 343 E C 0.908 177.580 176.600 0.120 0.000 0.994 343 E CA 1.492 57.836 56.400 -0.094 0.000 0.801 343 E CB -0.034 29.537 29.700 -0.216 0.000 0.743 343 E HN 0.434 nan 8.360 nan 0.000 0.453 344 E N 0.587 120.834 120.200 0.078 0.000 2.409 344 E HA -0.134 4.122 4.350 -0.157 0.000 0.198 344 E C 0.827 177.485 176.600 0.098 0.000 1.024 344 E CA 1.046 57.502 56.400 0.094 0.000 0.861 344 E CB 0.046 29.781 29.700 0.059 0.000 0.788 344 E HN 0.260 nan 8.360 nan 0.000 0.521 345 D N 0.121 120.583 120.400 0.105 0.000 2.328 345 D HA -0.023 4.523 4.640 -0.157 0.000 0.221 345 D C 1.288 177.629 176.300 0.069 0.000 1.072 345 D CA 0.100 54.141 54.000 0.068 0.000 0.850 345 D CB 0.027 40.882 40.800 0.092 0.000 0.922 345 D HN 0.296 nan 8.370 nan 0.000 0.516 346 E N -0.096 120.109 120.200 0.007 0.000 2.086 346 E HA -0.214 4.042 4.350 -0.157 0.000 0.200 346 E C 0.360 176.665 176.600 -0.491 0.000 1.012 346 E CA 1.201 57.397 56.400 -0.341 0.000 0.812 346 E CB -0.016 29.299 29.700 -0.642 0.000 0.743 346 E HN 0.266 nan 8.360 nan 0.000 0.453 347 F N -0.347 119.621 119.950 0.030 0.000 2.750 347 F HA 0.302 4.735 4.527 -0.157 0.000 0.297 347 F C 1.143 176.889 175.800 -0.090 0.000 1.138 347 F CA -0.296 57.694 58.000 -0.016 0.000 1.346 347 F CB 0.584 39.580 39.000 -0.008 0.000 0.965 347 F HN -0.172 nan 8.300 nan 0.000 0.514 348 K N 0.010 120.351 120.400 -0.099 0.000 2.444 348 K HA 0.142 4.368 4.320 -0.157 0.000 0.193 348 K C -0.211 176.025 176.600 -0.606 0.000 1.024 348 K CA 0.291 56.363 56.287 -0.359 0.000 1.077 348 K CB 0.223 32.431 32.500 -0.487 0.000 0.833 348 K HN 0.159 nan 8.250 nan 0.000 0.517 349 F N 0.716 120.511 119.950 -0.257 0.000 2.509 349 F HA 0.095 4.529 4.527 -0.155 0.000 0.334 349 F C 1.171 176.767 175.800 -0.339 0.000 1.060 349 F CA -1.263 56.477 58.000 -0.433 0.000 0.997 349 F CB 0.671 39.042 39.000 -1.049 0.000 1.271 349 F HN -0.031 nan 8.300 nan 0.000 0.488 350 D N -0.523 119.857 120.400 -0.032 0.000 2.328 350 D HA 0.057 4.603 4.640 -0.157 0.000 0.226 350 D C -0.418 175.968 176.300 0.143 0.000 1.066 350 D CA 0.136 54.178 54.000 0.071 0.000 0.861 350 D CB -0.822 40.054 40.800 0.128 0.000 0.912 350 D HN 0.236 nan 8.370 nan 0.000 0.521 351 F N -1.566 118.464 119.950 0.133 0.000 2.611 351 F HA 0.543 4.975 4.527 -0.158 0.000 0.324 351 F C -0.250 175.537 175.800 -0.021 0.000 1.061 351 F CA -1.769 56.234 58.000 0.004 0.000 0.954 351 F CB 0.956 39.915 39.000 -0.067 0.000 1.301 351 F HN -0.342 nan 8.300 nan 0.000 0.482 352 D N 1.780 122.213 120.400 0.055 0.000 2.308 352 D HA 0.187 4.733 4.640 -0.157 0.000 0.251 352 D C 0.980 177.241 176.300 -0.066 0.000 1.127 352 D CA -0.022 53.952 54.000 -0.044 0.000 0.876 352 D CB 1.492 42.255 40.800 -0.061 0.000 1.176 352 D HN 0.763 nan 8.370 nan 0.000 0.446 353 L N 3.481 124.601 121.223 -0.172 0.000 2.265 353 L HA -0.131 4.115 4.340 -0.157 0.000 0.215 353 L C 2.037 178.779 176.870 -0.214 0.000 1.117 353 L CA 0.661 55.370 54.840 -0.218 0.000 0.782 353 L CB -0.043 41.743 42.059 -0.454 0.000 0.914 353 L HN 0.466 nan 8.230 nan 0.000 0.441 354 L N -1.059 120.057 121.223 -0.178 0.000 2.558 354 L HA 0.026 4.272 4.340 -0.157 0.000 0.225 354 L C 0.542 177.340 176.870 -0.119 0.000 1.128 354 L CA -0.065 54.735 54.840 -0.066 0.000 0.868 354 L CB -0.286 41.842 42.059 0.115 0.000 1.006 354 L HN 0.124 nan 8.230 nan 0.000 0.454 355 D N 1.901 121.985 120.400 -0.527 0.000 2.316 355 D HA 0.095 4.641 4.640 -0.157 0.000 0.245 355 D C -1.607 174.476 176.300 -0.362 0.000 1.171 355 D CA -2.224 51.240 54.000 -0.892 0.000 0.856 355 D CB 1.560 41.591 40.800 -1.281 0.000 1.090 355 D HN -0.056 nan 8.370 nan 0.000 0.476 356 P HA -0.025 nan 4.420 nan 0.000 0.245 356 P C 0.769 177.973 177.300 -0.160 0.000 1.212 356 P CA 0.552 63.588 63.100 -0.105 0.000 0.774 356 P CB -0.031 31.699 31.700 0.050 0.000 0.999 357 T N -4.632 109.813 114.554 -0.182 0.000 3.086 357 T HA 0.185 4.441 4.350 -0.157 0.000 0.250 357 T C 0.685 175.281 174.700 -0.173 0.000 1.074 357 T CA -0.173 61.828 62.100 -0.164 0.000 0.988 357 T CB -0.102 68.716 68.868 -0.084 0.000 0.988 357 T HN -0.163 nan 8.240 nan 0.000 0.530 358 K N 2.205 122.407 120.400 -0.330 0.000 2.244 358 K HA 0.580 4.806 4.320 -0.157 0.000 0.260 358 K C -0.362 176.016 176.600 -0.370 0.000 0.951 358 K CA -0.853 55.093 56.287 -0.568 0.000 0.826 358 K CB 2.211 34.246 32.500 -0.775 0.000 1.108 358 K HN 0.305 nan 8.250 nan 0.000 0.433 359 L N -0.264 120.897 121.223 -0.103 0.000 2.387 359 L HA 0.653 4.899 4.340 -0.157 0.000 0.266 359 L C -0.018 176.658 176.870 -0.323 0.000 1.059 359 L CA -0.458 54.280 54.840 -0.171 0.000 0.801 359 L CB 0.350 42.385 42.059 -0.040 0.000 1.223 359 L HN 0.447 nan 8.230 nan 0.000 0.456 360 I N 1.562 122.036 120.570 -0.160 0.000 2.306 360 I HA 0.359 4.435 4.170 -0.157 0.000 0.288 360 I C -2.118 174.027 176.117 0.046 0.000 1.036 360 I CA -1.724 59.545 61.300 -0.051 0.000 1.221 360 I CB 1.058 39.050 38.000 -0.013 0.000 1.385 360 I HN 0.452 nan 8.210 nan 0.000 0.472 361 P HA 0.001 nan 4.420 nan 0.000 0.262 361 P C 0.364 177.738 177.300 0.124 0.000 1.182 361 P CA 0.180 63.336 63.100 0.093 0.000 0.761 361 P CB 0.607 32.357 31.700 0.083 0.000 0.795 362 E N 1.776 122.053 120.200 0.128 0.000 2.268 362 E HA -0.183 4.073 4.350 -0.157 0.000 0.195 362 E C 1.386 178.042 176.600 0.094 0.000 0.995 362 E CA 0.731 57.193 56.400 0.104 0.000 0.836 362 E CB 0.007 29.767 29.700 0.100 0.000 0.763 362 E HN 0.505 nan 8.360 nan 0.000 0.491 363 E N 0.399 120.656 120.200 0.095 0.000 2.204 363 E HA -0.137 4.119 4.350 -0.157 0.000 0.195 363 E C 2.035 178.699 176.600 0.107 0.000 0.990 363 E CA 0.733 57.185 56.400 0.086 0.000 0.821 363 E CB 0.085 29.830 29.700 0.074 0.000 0.750 363 E HN 0.364 nan 8.360 nan 0.000 0.477 364 L N -0.409 120.903 121.223 0.147 0.000 2.168 364 L HA 0.051 4.297 4.340 -0.157 0.000 0.203 364 L C 0.637 177.632 176.870 0.209 0.000 1.078 364 L CA 0.444 55.407 54.840 0.205 0.000 0.780 364 L CB 0.421 42.678 42.059 0.329 0.000 0.939 364 L HN -0.202 nan 8.230 nan 0.000 0.451 365 V N 1.699 121.719 119.914 0.177 0.000 2.419 365 V HA 0.309 4.335 4.120 -0.157 0.000 0.287 365 V C -2.354 173.793 176.094 0.088 0.000 1.017 365 V CA -1.445 60.942 62.300 0.145 0.000 0.844 365 V CB 1.525 33.432 31.823 0.140 0.000 1.011 365 V HN -0.015 nan 8.190 nan 0.000 0.429 366 P HA 0.194 nan 4.420 nan 0.000 0.274 366 P C -0.334 176.967 177.300 0.002 0.000 1.231 366 P CA -0.032 63.089 63.100 0.036 0.000 0.790 366 P CB 1.518 33.243 31.700 0.043 0.000 0.951 367 V N 3.504 123.385 119.914 -0.055 0.000 2.455 367 V HA 0.080 4.106 4.120 -0.157 0.000 0.273 367 V C 0.949 177.031 176.094 -0.020 0.000 1.045 367 V CA 0.045 62.280 62.300 -0.109 0.000 0.976 367 V CB 0.205 31.873 31.823 -0.259 0.000 0.993 367 V HN 0.574 nan 8.190 nan 0.000 0.475 368 Q N 5.724 125.533 119.800 0.016 0.000 2.279 368 Q HA 0.295 4.541 4.340 -0.157 0.000 0.256 368 Q C -0.113 175.879 176.000 -0.014 0.000 0.937 368 Q CA -0.626 55.189 55.803 0.020 0.000 0.933 368 Q CB 0.634 29.395 28.738 0.038 0.000 1.189 368 Q HN 0.646 nan 8.270 nan 0.000 0.417 369 R N 3.054 123.576 120.500 0.036 0.000 2.370 369 R HA 0.071 4.317 4.340 -0.157 0.000 0.309 369 R C 0.227 176.544 176.300 0.027 0.000 1.059 369 R CA -0.234 55.920 56.100 0.090 0.000 0.981 369 R CB 0.714 31.158 30.300 0.240 0.000 0.972 369 R HN 0.519 nan 8.270 nan 0.000 0.437 370 V N 1.695 121.480 119.914 -0.215 0.000 3.455 370 V HA 0.265 4.291 4.120 -0.157 0.000 0.250 370 V C 0.866 176.646 176.094 -0.523 0.000 1.230 370 V CA 1.085 63.157 62.300 -0.379 0.000 1.105 370 V CB 0.920 32.271 31.823 -0.786 0.000 0.850 370 V HN 1.039 nan 8.190 nan 0.000 0.461 371 G N -0.241 108.087 108.800 -0.788 0.000 2.342 371 G HA2 0.466 4.332 3.960 -0.157 0.000 0.297 371 G HA3 0.466 4.332 3.960 -0.157 0.000 0.297 371 G C -1.791 172.760 174.900 -0.582 0.000 1.313 371 G CA -0.539 43.914 45.100 -1.078 0.000 0.830 371 G HN 0.054 nan 8.290 nan 0.000 0.506 372 K N -0.581 119.584 120.400 -0.392 0.000 2.422 372 K HA 0.729 4.955 4.320 -0.157 0.000 0.251 372 K C -1.055 175.629 176.600 0.141 0.000 0.933 372 K CA -0.842 55.487 56.287 0.071 0.000 0.798 372 K CB 2.158 34.751 32.500 0.154 0.000 1.238 372 K HN 0.629 nan 8.250 nan 0.000 0.428 373 M N 4.789 124.583 119.600 0.324 0.000 2.311 373 M HA 0.385 4.771 4.480 -0.157 0.000 0.325 373 M C -1.762 174.521 176.300 -0.028 0.000 1.061 373 M CA -0.781 54.632 55.300 0.188 0.000 0.957 373 M CB 1.714 34.444 32.600 0.216 0.000 1.646 373 M HN 0.367 nan 8.290 nan 0.000 0.434 374 V N 5.771 125.494 119.914 -0.318 0.000 2.448 374 V HA 0.443 4.469 4.120 -0.157 0.000 0.295 374 V C -0.863 175.082 176.094 -0.247 0.000 1.025 374 V CA -0.829 61.289 62.300 -0.303 0.000 0.859 374 V CB 1.669 33.186 31.823 -0.511 0.000 0.988 374 V HN 0.669 nan 8.190 nan 0.000 0.431 375 L N 5.944 127.108 121.223 -0.098 0.000 2.264 375 L HA 0.483 4.729 4.340 -0.157 0.000 0.287 375 L C 0.693 177.446 176.870 -0.195 0.000 1.039 375 L CA 0.129 54.914 54.840 -0.092 0.000 0.829 375 L CB 0.959 43.016 42.059 -0.003 0.000 1.211 375 L HN 0.863 nan 8.230 nan 0.000 0.427 376 N N 1.758 120.254 118.700 -0.341 0.000 2.194 376 N HA 0.157 4.803 4.740 -0.157 0.000 0.231 376 N C 0.022 175.303 175.510 -0.381 0.000 1.247 376 N CA -0.263 52.301 53.050 -0.810 0.000 0.884 376 N CB 0.762 38.528 38.487 -1.202 0.000 1.146 376 N HN 0.290 nan 8.380 nan 0.000 0.516 377 R N 0.585 120.989 120.500 -0.160 0.000 2.536 377 R HA 0.295 4.541 4.340 -0.157 0.000 0.269 377 R C -1.366 174.884 176.300 -0.083 0.000 1.113 377 R CA -0.406 55.628 56.100 -0.109 0.000 0.948 377 R CB 1.290 31.538 30.300 -0.087 0.000 1.237 377 R HN 0.085 nan 8.270 nan 0.000 0.441 378 N N 3.382 121.914 118.700 -0.279 0.000 2.467 378 N HA 0.310 4.956 4.740 -0.157 0.000 0.262 378 N C -2.193 173.263 175.510 -0.090 0.000 1.234 378 N CA -1.193 51.563 53.050 -0.490 0.000 0.952 378 N CB 0.490 38.033 38.487 -1.574 0.000 1.158 378 N HN 0.308 nan 8.380 nan 0.000 0.463 379 P HA 0.083 nan 4.420 nan 0.000 0.272 379 P C 0.170 177.652 177.300 0.302 0.000 1.254 379 P CA -0.057 63.240 63.100 0.328 0.000 0.795 379 P CB 0.989 32.926 31.700 0.396 0.000 1.022 380 D N -1.114 119.435 120.400 0.248 0.000 2.197 380 D HA -0.018 4.528 4.640 -0.157 0.000 0.212 380 D C 0.425 176.892 176.300 0.278 0.000 0.963 380 D CA 1.323 55.461 54.000 0.230 0.000 0.864 380 D CB 0.142 41.021 40.800 0.131 0.000 1.009 380 D HN 0.378 nan 8.370 nan 0.000 0.479 381 N N -0.084 118.771 118.700 0.260 0.000 2.448 381 N HA 0.013 4.659 4.740 -0.157 0.000 0.279 381 N C 0.153 175.863 175.510 0.333 0.000 1.025 381 N CA -0.317 52.901 53.050 0.279 0.000 0.898 381 N CB 1.485 40.105 38.487 0.221 0.000 1.303 381 N HN -0.153 nan 8.380 nan 0.000 0.495 382 F N 4.444 124.541 119.950 0.245 0.000 2.065 382 F HA -0.230 4.203 4.527 -0.157 0.000 0.298 382 F C 1.696 177.626 175.800 0.215 0.000 1.112 382 F CA 1.695 59.841 58.000 0.243 0.000 1.212 382 F CB -0.166 38.950 39.000 0.193 0.000 0.975 382 F HN 0.607 nan 8.300 nan 0.000 0.476 383 F N 0.819 121.002 119.950 0.389 0.000 2.069 383 F HA -0.179 4.255 4.527 -0.155 0.000 0.298 383 F C 2.350 178.198 175.800 0.081 0.000 1.113 383 F CA 1.873 60.014 58.000 0.235 0.000 1.214 383 F CB -1.012 38.106 39.000 0.197 0.000 0.978 383 F HN 0.026 nan 8.300 nan 0.000 0.474 384 A N -0.201 122.782 122.820 0.272 0.000 1.883 384 A HA -0.217 4.009 4.320 -0.157 0.000 0.217 384 A C 2.070 179.599 177.584 -0.091 0.000 1.186 384 A CA 2.211 54.311 52.037 0.105 0.000 0.624 384 A CB -0.765 18.331 19.000 0.161 0.000 0.822 384 A HN 0.619 nan 8.150 nan 0.000 0.444 385 E N -1.553 118.600 120.200 -0.079 0.000 2.162 385 E HA -0.057 4.198 4.350 -0.157 0.000 0.193 385 E C 1.996 178.495 176.600 -0.168 0.000 0.953 385 E CA 0.463 56.747 56.400 -0.193 0.000 0.849 385 E CB -0.136 29.489 29.700 -0.126 0.000 0.810 385 E HN 0.581 nan 8.360 nan 0.000 0.470 386 N N 1.441 120.034 118.700 -0.179 0.000 2.182 386 N HA -0.163 4.483 4.740 -0.157 0.000 0.186 386 N C 1.824 177.139 175.510 -0.325 0.000 1.036 386 N CA 1.353 54.245 53.050 -0.264 0.000 0.850 386 N CB 0.070 38.035 38.487 -0.870 0.000 1.010 386 N HN -0.062 nan 8.380 nan 0.000 0.432 387 E N 0.812 120.743 120.200 -0.448 0.000 2.118 387 E HA -0.113 4.143 4.350 -0.157 0.000 0.195 387 E C 1.692 178.079 176.600 -0.355 0.000 0.992 387 E CA 1.485 57.691 56.400 -0.323 0.000 0.804 387 E CB -0.160 29.359 29.700 -0.302 0.000 0.741 387 E HN 0.505 nan 8.360 nan 0.000 0.458 388 Q N -0.342 119.193 119.800 -0.441 0.000 2.451 388 Q HA 0.227 4.473 4.340 -0.157 0.000 0.206 388 Q C 0.092 175.960 176.000 -0.220 0.000 0.947 388 Q CA 0.230 55.831 55.803 -0.336 0.000 0.937 388 Q CB 0.402 28.935 28.738 -0.342 0.000 1.025 388 Q HN 0.221 nan 8.270 nan 0.000 0.511 389 A N 1.167 123.870 122.820 -0.194 0.000 2.498 389 A HA 0.446 4.672 4.320 -0.157 0.000 0.239 389 A C -0.133 177.295 177.584 -0.261 0.000 1.068 389 A CA 0.262 52.153 52.037 -0.243 0.000 0.766 389 A CB 0.253 19.162 19.000 -0.151 0.000 1.003 389 A HN 0.267 nan 8.150 nan 0.000 0.497 390 A N 2.171 124.767 122.820 -0.373 0.000 2.375 390 A HA 0.685 4.911 4.320 -0.157 0.000 0.291 390 A C -0.785 176.610 177.584 -0.315 0.000 1.160 390 A CA -0.431 51.458 52.037 -0.248 0.000 0.747 390 A CB 0.325 19.212 19.000 -0.188 0.000 1.170 390 A HN 0.627 nan 8.150 nan 0.000 0.458 391 F N 1.663 121.590 119.950 -0.038 0.000 2.432 391 F HA 0.659 5.086 4.527 -0.165 0.000 0.329 391 F C 0.521 176.208 175.800 -0.188 0.000 1.076 391 F CA -0.167 57.782 58.000 -0.085 0.000 1.018 391 F CB 1.644 40.565 39.000 -0.132 0.000 1.201 391 F HN 0.638 nan 8.300 nan 0.000 0.489 392 H N 3.411 122.278 119.070 -0.338 0.000 3.083 392 H HA 0.254 4.732 4.556 -0.130 0.000 0.339 392 H C -2.359 172.606 175.328 -0.606 0.000 1.020 392 H CA -2.568 53.014 56.048 -0.778 0.000 1.360 392 H CB 2.707 31.767 29.762 -1.169 0.000 1.811 392 H HN 0.201 nan 8.280 nan 0.000 0.493 393 P HA -0.060 nan 4.420 nan 0.000 0.222 393 P C 1.184 178.565 177.300 0.134 0.000 1.147 393 P CA 1.377 64.448 63.100 -0.049 0.000 0.790 393 P CB 0.082 31.756 31.700 -0.044 0.000 0.780 394 G N -1.369 107.371 108.800 -0.100 0.000 2.650 394 G HA2 -0.135 3.731 3.960 -0.157 0.000 0.214 394 G HA3 -0.135 3.731 3.960 -0.157 0.000 0.214 394 G C 0.455 175.318 174.900 -0.062 0.000 1.136 394 G CA -0.043 44.960 45.100 -0.162 0.000 0.789 394 G HN 0.426 nan 8.290 nan 0.000 0.536 395 H N 0.837 119.798 119.070 -0.182 0.000 3.216 395 H HA 0.315 4.783 4.556 -0.147 0.000 0.263 395 H C 0.529 175.901 175.328 0.074 0.000 1.601 395 H CA -0.738 55.255 56.048 -0.091 0.000 1.509 395 H CB -0.110 29.603 29.762 -0.080 0.000 1.759 395 H HN 0.368 nan 8.280 nan 0.000 0.533 396 I N -0.347 120.301 120.570 0.129 0.000 3.100 396 I HA 0.669 4.745 4.170 -0.157 0.000 0.312 396 I C -0.115 175.982 176.117 -0.034 0.000 1.063 396 I CA -1.380 59.956 61.300 0.061 0.000 1.031 396 I CB 1.876 39.802 38.000 -0.123 0.000 1.243 396 I HN 0.083 nan 8.210 nan 0.000 0.483 397 V N -1.757 118.135 119.914 -0.036 0.000 3.102 397 V HA 0.672 4.698 4.120 -0.157 0.000 0.312 397 V C -2.828 173.362 176.094 0.160 0.000 1.135 397 V CA -2.592 59.740 62.300 0.054 0.000 1.022 397 V CB 1.014 32.855 31.823 0.029 0.000 1.056 397 V HN 0.635 nan 8.190 nan 0.000 0.436 398 P HA 0.365 nan 4.420 nan 0.000 0.264 398 P C 0.896 178.191 177.300 -0.008 0.000 1.193 398 P CA 1.869 65.033 63.100 0.106 0.000 0.763 398 P CB 0.640 32.382 31.700 0.070 0.000 0.810 399 G N 1.779 110.530 108.800 -0.082 0.000 2.231 399 G HA2 -0.151 3.715 3.960 -0.157 0.000 0.206 399 G HA3 -0.151 3.715 3.960 -0.157 0.000 0.206 399 G C -0.303 174.513 174.900 -0.140 0.000 0.996 399 G CA -0.448 44.585 45.100 -0.112 0.000 0.645 399 G HN 0.455 nan 8.290 nan 0.000 0.498 400 L N 0.238 121.393 121.223 -0.114 0.000 2.354 400 L HA 0.883 5.129 4.340 -0.157 0.000 0.264 400 L C -0.828 175.998 176.870 -0.074 0.000 1.008 400 L CA -1.037 53.721 54.840 -0.137 0.000 0.819 400 L CB 2.197 44.109 42.059 -0.245 0.000 1.339 400 L HN 0.096 nan 8.230 nan 0.000 0.420 401 D N -0.301 120.051 120.400 -0.081 0.000 2.615 401 D HA 0.452 4.998 4.640 -0.157 0.000 0.267 401 D C -1.080 175.191 176.300 -0.049 0.000 1.236 401 D CA -0.343 53.581 54.000 -0.126 0.000 0.839 401 D CB 2.071 42.857 40.800 -0.024 0.000 1.380 401 D HN 0.103 nan 8.370 nan 0.000 0.433 402 F N -0.143 119.946 119.950 0.232 0.000 2.291 402 F HA 0.480 4.921 4.527 -0.143 0.000 0.305 402 F C 1.560 177.395 175.800 0.059 0.000 1.171 402 F CA -0.172 57.892 58.000 0.108 0.000 1.090 402 F CB 0.873 39.904 39.000 0.050 0.000 1.436 402 F HN 0.210 nan 8.300 nan 0.000 0.509 403 T N -3.286 111.382 114.554 0.190 0.000 2.804 403 T HA 0.298 4.554 4.350 -0.157 0.000 0.290 403 T C -0.074 174.665 174.700 0.066 0.000 1.099 403 T CA -1.007 61.174 62.100 0.135 0.000 1.011 403 T CB 1.224 70.142 68.868 0.083 0.000 1.291 403 T HN 0.333 nan 8.240 nan 0.000 0.523 404 N N 1.140 119.882 118.700 0.070 0.000 2.449 404 N HA 0.043 4.689 4.740 -0.157 0.000 0.191 404 N C 0.093 175.614 175.510 0.019 0.000 1.161 404 N CA 0.133 53.207 53.050 0.041 0.000 0.863 404 N CB -0.427 38.101 38.487 0.068 0.000 0.980 404 N HN 0.698 nan 8.380 nan 0.000 0.458 405 D N 2.157 122.552 120.400 -0.008 0.000 2.581 405 D HA -0.077 4.469 4.640 -0.157 0.000 0.238 405 D C -1.407 174.890 176.300 -0.006 0.000 1.145 405 D CA -0.972 53.045 54.000 0.029 0.000 0.866 405 D CB 1.271 42.039 40.800 -0.053 0.000 1.151 405 D HN 0.137 nan 8.370 nan 0.000 0.500 406 P HA -0.108 nan 4.420 nan 0.000 0.226 406 P C 1.500 178.816 177.300 0.027 0.000 1.153 406 P CA 0.184 63.300 63.100 0.026 0.000 0.777 406 P CB 0.377 32.085 31.700 0.014 0.000 0.794 407 L N -0.415 120.844 121.223 0.059 0.000 2.102 407 L HA 0.024 4.270 4.340 -0.157 0.000 0.202 407 L C 2.332 179.134 176.870 -0.113 0.000 1.076 407 L CA 1.265 56.140 54.840 0.057 0.000 0.761 407 L CB -1.585 40.599 42.059 0.207 0.000 0.921 407 L HN -0.168 nan 8.230 nan 0.000 0.444 408 L N -0.566 120.424 121.223 -0.388 0.000 2.042 408 L HA -0.212 4.034 4.340 -0.157 0.000 0.210 408 L C 2.431 179.073 176.870 -0.381 0.000 1.076 408 L CA 1.755 56.160 54.840 -0.725 0.000 0.749 408 L CB -0.877 40.479 42.059 -1.172 0.000 0.893 408 L HN 0.368 nan 8.230 nan 0.000 0.432 409 Q N -0.130 119.513 119.800 -0.262 0.000 2.061 409 Q HA -0.164 4.082 4.340 -0.157 0.000 0.204 409 Q C 2.116 178.045 176.000 -0.118 0.000 0.984 409 Q CA 1.833 57.520 55.803 -0.193 0.000 0.846 409 Q CB -0.821 27.849 28.738 -0.114 0.000 0.902 409 Q HN 0.702 nan 8.270 nan 0.000 0.421 410 G N 0.673 109.432 108.800 -0.068 0.000 2.421 410 G HA2 -0.221 3.645 3.960 -0.157 0.000 0.217 410 G HA3 -0.221 3.645 3.960 -0.157 0.000 0.217 410 G C 1.496 176.411 174.900 0.025 0.000 1.143 410 G CA 0.253 45.354 45.100 0.001 0.000 0.784 410 G HN 0.262 nan 8.290 nan 0.000 0.541 411 R N -0.051 120.423 120.500 -0.043 0.000 2.127 411 R HA 0.041 4.287 4.340 -0.157 0.000 0.238 411 R C 2.484 178.867 176.300 0.139 0.000 1.134 411 R CA 0.726 56.854 56.100 0.046 0.000 0.975 411 R CB -0.467 29.871 30.300 0.064 0.000 0.865 411 R HN 0.334 nan 8.270 nan 0.000 0.447 412 L N -0.330 120.908 121.223 0.026 0.000 2.079 412 L HA -0.217 4.029 4.340 -0.157 0.000 0.210 412 L C 2.330 179.326 176.870 0.210 0.000 1.081 412 L CA 1.329 56.206 54.840 0.062 0.000 0.752 412 L CB -0.448 41.477 42.059 -0.223 0.000 0.896 412 L HN 0.172 nan 8.230 nan 0.000 0.433 413 F N -0.100 119.864 119.950 0.024 0.000 2.234 413 F HA -0.150 4.321 4.527 -0.092 0.000 0.296 413 F C 2.764 178.570 175.800 0.010 0.000 1.089 413 F CA 1.412 59.431 58.000 0.030 0.000 1.343 413 F CB -0.259 38.739 39.000 -0.003 0.000 1.040 413 F HN -0.064 nan 8.300 nan 0.000 0.498 414 S N -0.543 115.054 115.700 -0.172 0.000 2.368 414 S HA -0.230 4.146 4.470 -0.157 0.000 0.225 414 S C 2.059 176.365 174.600 -0.491 0.000 1.030 414 S CA 1.688 59.661 58.200 -0.379 0.000 0.999 414 S CB -0.761 62.276 63.200 -0.272 0.000 0.844 414 S HN 0.562 nan 8.310 nan 0.000 0.459 415 Y N 1.471 121.402 120.300 -0.615 0.000 2.263 415 Y HA -0.050 4.437 4.550 -0.106 0.000 0.292 415 Y C 2.991 178.519 175.900 -0.620 0.000 1.130 415 Y CA 1.338 58.995 58.100 -0.739 0.000 1.179 415 Y CB -0.960 36.773 38.460 -1.212 0.000 0.998 415 Y HN 0.232 nan 8.280 nan 0.000 0.532 416 T N -0.217 114.140 114.554 -0.329 0.000 2.652 416 T HA -0.262 3.994 4.350 -0.157 0.000 0.267 416 T C 1.454 176.027 174.700 -0.211 0.000 1.039 416 T CA 1.921 63.964 62.100 -0.095 0.000 1.153 416 T CB -0.534 68.366 68.868 0.053 0.000 0.863 416 T HN 0.371 nan 8.240 nan 0.000 0.428 417 D N 0.188 120.366 120.400 -0.370 0.000 2.097 417 D HA -0.107 4.439 4.640 -0.157 0.000 0.195 417 D C 2.314 178.458 176.300 -0.261 0.000 0.989 417 D CA 1.568 55.355 54.000 -0.355 0.000 0.827 417 D CB -0.487 39.915 40.800 -0.664 0.000 0.966 417 D HN 0.255 nan 8.370 nan 0.000 0.456 418 T N -1.039 113.335 114.554 -0.300 0.000 2.867 418 T HA -0.124 4.132 4.350 -0.157 0.000 0.268 418 T C 1.794 176.359 174.700 -0.226 0.000 1.057 418 T CA 1.270 63.228 62.100 -0.236 0.000 1.136 418 T CB -0.170 68.540 68.868 -0.264 0.000 0.874 418 T HN 0.211 nan 8.240 nan 0.000 0.466 419 Q N -0.085 119.527 119.800 -0.313 0.000 2.297 419 Q HA 0.057 4.303 4.340 -0.157 0.000 0.204 419 Q C 2.034 177.872 176.000 -0.270 0.000 0.962 419 Q CA 0.744 56.298 55.803 -0.416 0.000 0.879 419 Q CB 0.017 28.264 28.738 -0.819 0.000 0.947 419 Q HN 0.480 nan 8.270 nan 0.000 0.462 420 I N 0.205 120.696 120.570 -0.130 0.000 2.546 420 I HA -0.164 3.912 4.170 -0.157 0.000 0.255 420 I C 2.153 178.274 176.117 0.007 0.000 1.163 420 I CA 1.258 62.571 61.300 0.021 0.000 1.457 420 I CB -1.035 37.000 38.000 0.059 0.000 1.092 420 I HN 0.197 nan 8.210 nan 0.000 0.434 421 S N 0.492 116.172 115.700 -0.035 0.000 2.468 421 S HA -0.020 4.356 4.470 -0.157 0.000 0.226 421 S C 2.124 176.709 174.600 -0.026 0.000 1.051 421 S CA -0.086 58.105 58.200 -0.017 0.000 0.943 421 S CB -0.241 62.948 63.200 -0.018 0.000 0.810 421 S HN 0.289 nan 8.310 nan 0.000 0.509 422 R N 1.153 121.616 120.500 -0.062 0.000 2.081 422 R HA 0.129 4.375 4.340 -0.157 0.000 0.235 422 R C 1.282 177.555 176.300 -0.046 0.000 1.131 422 R CA 1.479 57.543 56.100 -0.060 0.000 0.960 422 R CB -0.320 29.923 30.300 -0.095 0.000 0.856 422 R HN 0.457 nan 8.270 nan 0.000 0.436 423 L N -0.189 121.001 121.223 -0.055 0.000 2.741 423 L HA 0.324 4.570 4.340 -0.157 0.000 0.237 423 L C 0.771 177.667 176.870 0.043 0.000 1.178 423 L CA 0.240 55.074 54.840 -0.011 0.000 0.973 423 L CB 0.891 42.944 42.059 -0.009 0.000 1.255 423 L HN 0.584 nan 8.230 nan 0.000 0.498 424 G N 0.156 108.978 108.800 0.037 0.000 2.153 424 G HA2 -0.132 3.734 3.960 -0.157 0.000 0.252 424 G HA3 -0.132 3.734 3.960 -0.157 0.000 0.252 424 G C 0.433 175.381 174.900 0.079 0.000 0.994 424 G CA 0.121 45.250 45.100 0.048 0.000 0.698 424 G HN 0.777 nan 8.290 nan 0.000 0.521 425 G N -1.891 106.983 108.800 0.123 0.000 2.341 425 G HA2 0.625 4.491 3.960 -0.157 0.000 0.293 425 G HA3 0.625 4.491 3.960 -0.157 0.000 0.293 425 G C -2.351 172.697 174.900 0.246 0.000 1.298 425 G CA 0.333 45.520 45.100 0.144 0.000 0.868 425 G HN 0.406 nan 8.290 nan 0.000 0.540 426 P HA 0.158 nan 4.420 nan 0.000 0.255 426 P C 0.197 177.483 177.300 -0.024 0.000 1.248 426 P CA 0.234 63.440 63.100 0.176 0.000 0.807 426 P CB 0.287 32.059 31.700 0.120 0.000 1.150 427 N N 0.422 119.110 118.700 -0.020 0.000 2.376 427 N HA 0.085 4.731 4.740 -0.157 0.000 0.249 427 N C 0.917 176.245 175.510 -0.303 0.000 1.140 427 N CA -0.206 52.729 53.050 -0.192 0.000 0.870 427 N CB -0.507 37.919 38.487 -0.100 0.000 1.124 427 N HN 0.244 nan 8.380 nan 0.000 0.505 428 F N 0.521 120.480 119.950 0.015 0.000 2.451 428 F HA -0.040 4.404 4.527 -0.139 0.000 0.299 428 F C 2.199 177.965 175.800 -0.057 0.000 1.101 428 F CA 0.643 58.623 58.000 -0.032 0.000 1.436 428 F CB -0.721 38.275 39.000 -0.007 0.000 1.074 428 F HN 0.162 nan 8.300 nan 0.000 0.553 429 H N 0.375 119.111 119.070 -0.556 0.000 2.546 429 H HA 0.084 4.544 4.556 -0.159 0.000 0.277 429 H C 0.876 176.072 175.328 -0.220 0.000 1.004 429 H CA 1.241 57.081 56.048 -0.348 0.000 1.231 429 H CB -0.728 28.705 29.762 -0.548 0.000 1.382 429 H HN 0.512 nan 8.280 nan 0.000 0.580 430 E N 0.962 120.768 120.200 -0.656 0.000 2.442 430 E HA 0.163 4.418 4.350 -0.157 0.000 0.195 430 E C 0.352 176.857 176.600 -0.158 0.000 1.030 430 E CA -0.237 55.936 56.400 -0.379 0.000 0.869 430 E CB 0.491 29.964 29.700 -0.379 0.000 0.857 430 E HN 0.430 nan 8.360 nan 0.000 0.505 431 I N 2.676 123.175 120.570 -0.117 0.000 2.598 431 I HA -0.044 4.032 4.170 -0.157 0.000 0.284 431 I C -1.555 174.519 176.117 -0.072 0.000 1.140 431 I CA -1.524 59.737 61.300 -0.065 0.000 1.420 431 I CB 0.604 38.576 38.000 -0.046 0.000 1.387 431 I HN -0.198 nan 8.210 nan 0.000 0.553 432 P HA -0.265 nan 4.420 nan 0.000 0.217 432 P C 1.726 178.962 177.300 -0.106 0.000 1.162 432 P CA 1.381 64.435 63.100 -0.077 0.000 0.901 432 P CB 0.160 31.820 31.700 -0.066 0.000 0.793 433 I N -0.817 119.663 120.570 -0.150 0.000 2.361 433 I HA -0.190 3.886 4.170 -0.157 0.000 0.251 433 I C 1.363 177.414 176.117 -0.110 0.000 1.133 433 I CA 1.690 62.852 61.300 -0.230 0.000 1.413 433 I CB -0.738 37.017 38.000 -0.409 0.000 1.073 433 I HN -0.099 nan 8.210 nan 0.000 0.424 434 N N 0.638 119.293 118.700 -0.074 0.000 2.463 434 N HA 0.023 4.669 4.740 -0.157 0.000 0.181 434 N C 0.333 175.874 175.510 0.051 0.000 1.078 434 N CA 0.216 53.258 53.050 -0.014 0.000 0.902 434 N CB -0.147 38.353 38.487 0.021 0.000 0.970 434 N HN 0.371 nan 8.380 nan 0.000 0.451 435 R N 1.672 122.190 120.500 0.030 0.000 2.522 435 R HA 0.118 4.364 4.340 -0.157 0.000 0.284 435 R C -2.207 174.164 176.300 0.118 0.000 1.032 435 R CA -1.089 55.031 56.100 0.032 0.000 1.049 435 R CB -0.126 30.171 30.300 -0.005 0.000 0.956 435 R HN 0.050 nan 8.270 nan 0.000 0.422 436 P HA 0.000 nan 4.420 nan 0.000 0.272 436 P C 0.501 177.877 177.300 0.126 0.000 1.230 436 P CA -0.037 63.147 63.100 0.141 0.000 0.788 436 P CB 0.692 32.426 31.700 0.057 0.000 0.949 437 T N -3.060 111.580 114.554 0.144 0.000 3.044 437 T HA 0.077 4.333 4.350 -0.157 0.000 0.250 437 T C 0.885 175.631 174.700 0.077 0.000 1.081 437 T CA 0.006 62.145 62.100 0.066 0.000 1.040 437 T CB -1.005 67.884 68.868 0.034 0.000 0.962 437 T HN 0.578 nan 8.240 nan 0.000 0.506 438 C N 1.316 120.676 119.300 0.101 0.000 2.347 438 C HA 0.781 5.147 4.460 -0.157 0.000 0.366 438 C C -2.430 172.623 174.990 0.105 0.000 1.241 438 C CA -2.542 56.534 59.018 0.096 0.000 2.360 438 C CB 0.120 27.921 27.740 0.102 0.000 2.290 438 C HN 0.165 nan 8.230 nan 0.000 0.587 439 P HA 0.279 nan 4.420 nan 0.000 0.269 439 P C -1.207 176.183 177.300 0.150 0.000 1.209 439 P CA 0.495 63.675 63.100 0.133 0.000 0.776 439 P CB -0.061 31.756 31.700 0.195 0.000 0.876 440 Y N 0.556 120.775 120.300 -0.134 0.000 2.361 440 Y HA 0.631 5.090 4.550 -0.152 0.000 0.328 440 Y C -1.520 174.106 175.900 -0.456 0.000 1.044 440 Y CA -0.925 57.074 58.100 -0.168 0.000 1.085 440 Y CB 1.240 39.614 38.460 -0.143 0.000 1.194 440 Y HN 0.412 nan 8.280 nan 0.000 0.438 441 H N 3.984 122.957 119.070 -0.161 0.000 2.856 441 H HA 0.566 5.028 4.556 -0.156 0.000 0.355 441 H C -1.146 174.064 175.328 -0.197 0.000 1.079 441 H CA -0.749 55.123 56.048 -0.293 0.000 1.240 441 H CB 1.655 31.279 29.762 -0.229 0.000 1.701 441 H HN 0.889 nan 8.280 nan 0.000 0.527 442 N N 0.486 119.074 118.700 -0.187 0.000 3.308 442 N HA 0.178 4.823 4.740 -0.157 0.000 0.276 442 N C -1.204 174.089 175.510 -0.362 0.000 1.533 442 N CA -0.944 51.968 53.050 -0.229 0.000 0.878 442 N CB 0.623 39.123 38.487 0.021 0.000 1.566 442 N HN 0.296 nan 8.380 nan 0.000 0.546 443 F N -0.379 119.613 119.950 0.070 0.000 2.641 443 F HA 0.332 4.763 4.527 -0.159 0.000 0.302 443 F C 0.461 176.304 175.800 0.073 0.000 1.098 443 F CA -0.356 57.680 58.000 0.060 0.000 1.318 443 F CB 0.174 39.203 39.000 0.050 0.000 1.035 443 F HN 0.142 nan 8.300 nan 0.000 0.551 444 Q N 1.667 121.577 119.800 0.183 0.000 2.332 444 Q HA 0.383 4.629 4.340 -0.157 0.000 0.263 444 Q C 0.066 176.145 176.000 0.132 0.000 0.979 444 Q CA -0.005 55.887 55.803 0.148 0.000 0.885 444 Q CB 1.066 29.870 28.738 0.111 0.000 1.218 444 Q HN 0.117 nan 8.270 nan 0.000 0.405 445 R N 1.621 122.192 120.500 0.118 0.000 2.855 445 R HA 0.360 4.606 4.340 -0.157 0.000 0.266 445 R C -0.549 175.800 176.300 0.082 0.000 1.034 445 R CA -0.671 55.488 56.100 0.099 0.000 0.944 445 R CB 1.049 31.410 30.300 0.101 0.000 1.219 445 R HN 0.702 nan 8.270 nan 0.000 0.474 446 D N -0.179 120.260 120.400 0.065 0.000 3.369 446 D HA -0.184 4.362 4.640 -0.157 0.000 0.217 446 D C 0.348 176.682 176.300 0.056 0.000 1.532 446 D CA 2.089 56.120 54.000 0.052 0.000 1.126 446 D CB -1.021 39.810 40.800 0.051 0.000 0.683 446 D HN 0.900 nan 8.370 nan 0.000 0.827 447 G N -1.321 107.512 108.800 0.054 0.000 2.692 447 G HA2 0.215 4.081 3.960 -0.157 0.000 0.686 447 G HA3 0.215 4.081 3.960 -0.157 0.000 0.686 447 G C -0.245 174.690 174.900 0.059 0.000 1.243 447 G CA 0.053 45.190 45.100 0.061 0.000 0.782 447 G HN 0.810 nan 8.290 nan 0.000 0.625 448 M N 1.321 120.964 119.600 0.072 0.000 2.250 448 M HA 0.449 4.835 4.480 -0.157 0.000 0.337 448 M C 1.062 177.442 176.300 0.133 0.000 1.161 448 M CA 1.290 56.642 55.300 0.086 0.000 1.088 448 M CB -0.474 32.179 32.600 0.088 0.000 1.639 448 M HN 1.687 nan 8.290 nan 0.000 0.447 449 H N 0.973 120.048 119.070 0.009 0.000 2.677 449 H HA -0.178 4.284 4.556 -0.156 0.000 0.321 449 H C -0.809 174.510 175.328 -0.016 0.000 1.171 449 H CA 0.866 56.913 56.048 -0.001 0.000 1.139 449 H CB -0.705 29.059 29.762 0.003 0.000 1.515 449 H HN 0.635 nan 8.280 nan 0.000 0.423 450 R N 1.622 122.103 120.500 -0.033 0.000 2.316 450 R HA 0.100 4.346 4.340 -0.157 0.000 0.314 450 R C 0.901 177.151 176.300 -0.082 0.000 1.069 450 R CA -0.045 56.036 56.100 -0.031 0.000 0.959 450 R CB 0.266 30.560 30.300 -0.010 0.000 0.987 450 R HN 0.391 nan 8.270 nan 0.000 0.446 451 M N 2.578 122.145 119.600 -0.055 0.000 2.398 451 M HA 0.223 4.609 4.480 -0.157 0.000 0.261 451 M C 0.963 177.239 176.300 -0.041 0.000 1.125 451 M CA 1.064 56.330 55.300 -0.056 0.000 1.183 451 M CB -0.923 31.662 32.600 -0.026 0.000 1.322 451 M HN 0.708 nan 8.290 nan 0.000 0.467 452 G N 2.016 110.803 108.800 -0.022 0.000 2.313 452 G HA2 0.356 4.222 3.960 -0.157 0.000 0.250 452 G HA3 0.356 4.222 3.960 -0.157 0.000 0.250 452 G C -0.317 174.569 174.900 -0.024 0.000 1.281 452 G CA -0.346 44.740 45.100 -0.022 0.000 0.917 452 G HN 0.331 nan 8.290 nan 0.000 0.501 453 I N 2.968 123.519 120.570 -0.032 0.000 2.287 453 I HA 0.085 4.161 4.170 -0.157 0.000 0.290 453 I C -0.176 175.926 176.117 -0.025 0.000 1.069 453 I CA -0.494 60.792 61.300 -0.023 0.000 1.237 453 I CB 0.791 38.777 38.000 -0.023 0.000 1.418 453 I HN 0.361 nan 8.210 nan 0.000 0.481 454 D N 4.893 125.284 120.400 -0.015 0.000 2.390 454 D HA 0.055 4.601 4.640 -0.157 0.000 0.249 454 D C 1.197 177.496 176.300 -0.000 0.000 1.144 454 D CA 0.275 54.265 54.000 -0.016 0.000 0.880 454 D CB 1.742 42.541 40.800 -0.002 0.000 1.182 454 D HN 0.565 nan 8.370 nan 0.000 0.451 455 T N -0.866 113.685 114.554 -0.005 0.000 3.069 455 T HA -0.053 4.203 4.350 -0.157 0.000 0.252 455 T C 0.837 175.547 174.700 0.016 0.000 1.053 455 T CA -0.557 61.545 62.100 0.004 0.000 0.964 455 T CB 0.175 69.039 68.868 -0.006 0.000 1.005 455 T HN 0.120 nan 8.240 nan 0.000 0.532 456 N N 3.363 122.075 118.700 0.020 0.000 2.411 456 N HA 0.082 4.728 4.740 -0.157 0.000 0.261 456 N C -1.691 173.858 175.510 0.066 0.000 1.248 456 N CA -1.463 51.612 53.050 0.042 0.000 0.885 456 N CB 1.440 39.956 38.487 0.048 0.000 1.062 456 N HN 0.059 nan 8.380 nan 0.000 0.471 457 P HA -0.029 nan 4.420 nan 0.000 0.219 457 P C -0.561 176.799 177.300 0.101 0.000 1.146 457 P CA 0.987 64.133 63.100 0.076 0.000 0.808 457 P CB 0.219 31.959 31.700 0.067 0.000 0.779 458 A N 0.518 123.388 122.820 0.084 0.000 2.312 458 A HA 0.426 4.651 4.320 -0.157 0.000 0.326 458 A C 0.431 178.116 177.584 0.170 0.000 1.172 458 A CA -0.638 51.406 52.037 0.010 0.000 0.821 458 A CB 0.081 18.915 19.000 -0.278 0.000 1.166 458 A HN 0.271 nan 8.150 nan 0.000 0.493 459 N N 0.001 118.832 118.700 0.220 0.000 2.291 459 N HA 0.357 5.003 4.740 -0.157 0.000 0.244 459 N C -0.807 174.862 175.510 0.266 0.000 1.216 459 N CA -0.365 52.894 53.050 0.349 0.000 0.879 459 N CB 0.342 38.990 38.487 0.268 0.000 1.167 459 N HN 0.693 nan 8.380 nan 0.000 0.515 460 Y N -0.950 119.223 120.300 -0.211 0.000 2.625 460 Y HA 0.709 5.164 4.550 -0.158 0.000 0.338 460 Y C -1.503 173.791 175.900 -1.011 0.000 1.123 460 Y CA -1.364 56.434 58.100 -0.503 0.000 1.046 460 Y CB 1.043 39.373 38.460 -0.216 0.000 1.299 460 Y HN 0.067 nan 8.280 nan 0.000 0.464 461 E N 0.508 120.263 120.200 -0.741 0.000 2.366 461 E HA 0.610 4.866 4.350 -0.157 0.000 0.278 461 E C -3.212 173.286 176.600 -0.169 0.000 0.923 461 E CA -1.973 54.076 56.400 -0.584 0.000 0.761 461 E CB 1.600 30.894 29.700 -0.676 0.000 1.231 461 E HN 0.580 nan 8.360 nan 0.000 0.443 462 P HA 0.279 nan 4.420 nan 0.000 0.275 462 P C -1.213 176.037 177.300 -0.084 0.000 1.228 462 P CA -0.388 62.645 63.100 -0.112 0.000 0.786 462 P CB 0.459 32.127 31.700 -0.052 0.000 0.927 463 N N -1.450 117.132 118.700 -0.195 0.000 2.284 463 N HA 0.344 4.990 4.740 -0.157 0.000 0.289 463 N C 0.225 175.687 175.510 -0.080 0.000 1.179 463 N CA -0.751 52.191 53.050 -0.180 0.000 0.774 463 N CB 1.445 39.543 38.487 -0.649 0.000 1.548 463 N HN 0.192 nan 8.380 nan 0.000 0.473 464 S N 0.558 116.258 115.700 0.001 0.000 2.497 464 S HA 0.009 4.385 4.470 -0.157 0.000 0.218 464 S C 1.527 176.141 174.600 0.022 0.000 1.023 464 S CA 0.005 58.208 58.200 0.004 0.000 0.913 464 S CB -0.797 62.417 63.200 0.023 0.000 0.800 464 S HN 0.709 nan 8.310 nan 0.000 0.505 465 I N -0.668 119.923 120.570 0.035 0.000 2.830 465 I HA 0.227 4.303 4.170 -0.157 0.000 0.263 465 I C 1.279 177.429 176.117 0.054 0.000 1.230 465 I CA 1.203 62.535 61.300 0.053 0.000 1.480 465 I CB -0.368 37.683 38.000 0.085 0.000 1.095 465 I HN 0.183 nan 8.210 nan 0.000 0.455 466 N N 1.059 119.790 118.700 0.051 0.000 2.299 466 N HA 0.039 4.685 4.740 -0.157 0.000 0.246 466 N C -0.096 175.526 175.510 0.186 0.000 1.254 466 N CA -0.037 53.084 53.050 0.118 0.000 0.879 466 N CB 0.037 38.605 38.487 0.135 0.000 1.214 466 N HN 0.203 nan 8.380 nan 0.000 0.510 467 D N 0.767 121.223 120.400 0.094 0.000 2.772 467 D HA -0.253 4.293 4.640 -0.157 0.000 0.233 467 D C -0.056 176.132 176.300 -0.186 0.000 1.143 467 D CA 1.067 55.086 54.000 0.031 0.000 0.700 467 D CB -1.348 39.555 40.800 0.172 0.000 1.076 467 D HN 0.479 nan 8.370 nan 0.000 0.430 468 N N -1.721 116.896 118.700 -0.138 0.000 2.828 468 N HA -0.246 4.399 4.740 -0.157 0.000 0.248 468 N C -0.747 174.678 175.510 -0.141 0.000 1.044 468 N CA 1.419 54.358 53.050 -0.184 0.000 0.851 468 N CB -1.327 37.003 38.487 -0.262 0.000 1.136 468 N HN 0.540 nan 8.380 nan 0.000 0.572 469 W N 1.200 122.553 121.300 0.088 0.000 2.313 469 W HA 0.433 4.998 4.660 -0.158 0.000 0.328 469 W C -1.601 174.947 176.519 0.048 0.000 1.197 469 W CA -1.597 55.778 57.345 0.049 0.000 1.235 469 W CB 0.457 29.898 29.460 -0.032 0.000 1.158 469 W HN -0.037 nan 8.180 nan 0.000 0.578 470 P HA 0.141 nan 4.420 nan 0.000 0.271 470 P C -0.692 176.732 177.300 0.207 0.000 1.218 470 P CA 0.039 63.263 63.100 0.207 0.000 0.780 470 P CB 0.939 32.615 31.700 -0.041 0.000 0.901 471 R N 1.219 121.834 120.500 0.191 0.000 2.668 471 R HA 0.323 4.569 4.340 -0.157 0.000 0.279 471 R C 0.404 176.734 176.300 0.051 0.000 0.976 471 R CA -0.861 55.226 56.100 -0.022 0.000 0.978 471 R CB 1.154 31.213 30.300 -0.403 0.000 1.133 471 R HN 0.493 nan 8.270 nan 0.000 0.484 472 E N 0.673 120.892 120.200 0.031 0.000 2.438 472 E HA 0.006 4.262 4.350 -0.157 0.000 0.261 472 E C -0.549 176.073 176.600 0.037 0.000 1.103 472 E CA 0.750 57.179 56.400 0.048 0.000 0.959 472 E CB 0.609 30.326 29.700 0.029 0.000 0.958 472 E HN 0.368 nan 8.360 nan 0.000 0.447 473 T N 3.357 117.943 114.554 0.053 0.000 2.879 473 T HA 0.326 4.582 4.350 -0.157 0.000 0.290 473 T C -2.478 172.245 174.700 0.038 0.000 0.993 473 T CA -1.553 60.577 62.100 0.049 0.000 0.975 473 T CB 1.463 70.372 68.868 0.068 0.000 0.981 473 T HN 0.243 nan 8.240 nan 0.000 0.439 474 P HA 0.220 nan 4.420 nan 0.000 0.269 474 P C -2.451 174.853 177.300 0.007 0.000 1.215 474 P CA -1.290 61.816 63.100 0.011 0.000 0.780 474 P CB -0.445 31.257 31.700 0.003 0.000 0.898 475 P HA 0.203 nan 4.420 nan 0.000 0.267 475 P C 0.013 177.298 177.300 -0.024 0.000 1.200 475 P CA 0.499 63.580 63.100 -0.032 0.000 0.772 475 P CB 0.612 32.270 31.700 -0.069 0.000 0.855 476 G N 1.579 110.365 108.800 -0.025 0.000 2.606 476 G HA2 0.424 4.290 3.960 -0.157 0.000 0.300 476 G HA3 0.424 4.290 3.960 -0.157 0.000 0.300 476 G C -2.470 172.418 174.900 -0.021 0.000 1.360 476 G CA -0.772 44.318 45.100 -0.017 0.000 0.783 476 G HN 0.165 nan 8.290 nan 0.000 0.484 477 P HA 0.045 nan 4.420 nan 0.000 0.220 477 P C 0.240 177.534 177.300 -0.010 0.000 1.148 477 P CA 1.211 64.301 63.100 -0.017 0.000 0.803 477 P CB 0.405 32.098 31.700 -0.012 0.000 0.782 478 K N -1.216 119.185 120.400 0.002 0.000 2.557 478 K HA 0.304 4.530 4.320 -0.157 0.000 0.257 478 K C -0.330 176.285 176.600 0.024 0.000 0.933 478 K CA -0.696 55.599 56.287 0.014 0.000 0.820 478 K CB 1.158 33.667 32.500 0.015 0.000 1.330 478 K HN -0.394 nan 8.250 nan 0.000 0.432 479 R N 0.047 120.569 120.500 0.037 0.000 3.758 479 R HA -0.140 4.106 4.340 -0.157 0.000 0.299 479 R C -0.186 176.142 176.300 0.047 0.000 1.182 479 R CA 1.117 57.246 56.100 0.047 0.000 0.809 479 R CB -2.342 27.986 30.300 0.046 0.000 1.249 479 R HN 0.847 nan 8.270 nan 0.000 0.497 480 G N -0.907 107.915 108.800 0.037 0.000 2.462 480 G HA2 0.628 4.494 3.960 -0.157 0.000 0.319 480 G HA3 0.628 4.494 3.960 -0.157 0.000 0.319 480 G C 0.391 175.320 174.900 0.049 0.000 1.171 480 G CA 0.080 45.199 45.100 0.032 0.000 0.920 480 G HN 0.261 nan 8.290 nan 0.000 0.499 481 G N -1.145 107.687 108.800 0.052 0.000 2.572 481 G HA2 0.410 4.276 3.960 -0.157 0.000 0.261 481 G HA3 0.410 4.276 3.960 -0.157 0.000 0.261 481 G C -0.668 174.284 174.900 0.087 0.000 1.197 481 G CA -0.590 44.563 45.100 0.088 0.000 0.870 481 G HN 0.469 nan 8.290 nan 0.000 0.548 482 F N 0.311 120.272 119.950 0.018 0.000 2.467 482 F HA 0.380 4.816 4.527 -0.151 0.000 0.362 482 F C 0.552 176.362 175.800 0.016 0.000 1.090 482 F CA -0.134 57.871 58.000 0.009 0.000 1.202 482 F CB 0.835 39.840 39.000 0.008 0.000 1.113 482 F HN 0.426 nan 8.300 nan 0.000 0.541 483 E N 4.245 124.076 120.200 -0.614 0.000 2.246 483 E HA 0.291 4.547 4.350 -0.157 0.000 0.266 483 E C -1.153 175.125 176.600 -0.537 0.000 0.880 483 E CA -0.760 55.437 56.400 -0.338 0.000 0.762 483 E CB 1.535 31.128 29.700 -0.180 0.000 1.180 483 E HN 0.611 nan 8.360 nan 0.000 0.416 484 S N 2.624 118.232 115.700 -0.155 0.000 2.562 484 S HA -0.010 4.366 4.470 -0.157 0.000 0.281 484 S C -0.493 174.095 174.600 -0.021 0.000 1.333 484 S CA -0.320 57.873 58.200 -0.011 0.000 1.052 484 S CB 0.111 63.426 63.200 0.191 0.000 0.884 484 S HN 0.472 nan 8.310 nan 0.000 0.506 485 Y N 2.681 122.921 120.300 -0.100 0.000 2.717 485 Y HA -0.027 4.428 4.550 -0.158 0.000 0.330 485 Y C 0.851 176.732 175.900 -0.031 0.000 1.217 485 Y CA 0.069 58.119 58.100 -0.083 0.000 1.506 485 Y CB 0.111 38.523 38.460 -0.079 0.000 1.268 485 Y HN 0.587 nan 8.280 nan 0.000 0.561 486 Q N 5.305 124.778 119.800 -0.546 0.000 3.223 486 Q HA -0.000 4.246 4.340 -0.157 0.000 0.299 486 Q C -0.136 175.576 176.000 -0.480 0.000 1.385 486 Q CA 0.019 55.583 55.803 -0.399 0.000 0.942 486 Q CB -0.252 28.315 28.738 -0.284 0.000 1.748 486 Q HN 0.650 nan 8.270 nan 0.000 0.523 487 E N 1.444 121.445 120.200 -0.332 0.000 2.413 487 E HA -0.011 4.245 4.350 -0.157 0.000 0.263 487 E C -0.245 176.322 176.600 -0.056 0.000 1.015 487 E CA -0.420 55.907 56.400 -0.123 0.000 0.916 487 E CB 0.641 30.412 29.700 0.119 0.000 0.947 487 E HN 0.132 nan 8.360 nan 0.000 0.440 488 R N 3.232 123.722 120.500 -0.017 0.000 2.267 488 R HA 0.202 4.447 4.340 -0.157 0.000 0.319 488 R C -1.475 174.846 176.300 0.035 0.000 1.067 488 R CA -0.248 55.853 56.100 0.001 0.000 0.936 488 R CB 0.778 31.086 30.300 0.013 0.000 1.006 488 R HN 0.273 nan 8.270 nan 0.000 0.452 489 V N 5.128 125.056 119.914 0.024 0.000 2.384 489 V HA 0.411 4.437 4.120 -0.157 0.000 0.287 489 V C -0.324 175.784 176.094 0.022 0.000 1.020 489 V CA -0.515 61.804 62.300 0.032 0.000 0.850 489 V CB 1.442 33.282 31.823 0.028 0.000 0.987 489 V HN 0.804 nan 8.190 nan 0.000 0.436 490 E N 2.835 123.051 120.200 0.026 0.000 2.274 490 E HA 0.709 4.965 4.350 -0.157 0.000 0.269 490 E C -0.098 176.509 176.600 0.011 0.000 0.891 490 E CA -0.392 56.018 56.400 0.016 0.000 0.784 490 E CB 2.345 32.055 29.700 0.016 0.000 1.225 490 E HN 0.988 nan 8.360 nan 0.000 0.412 491 G N 2.405 111.207 108.800 0.003 0.000 2.336 491 G HA2 0.064 3.930 3.960 -0.157 0.000 0.300 491 G HA3 0.064 3.930 3.960 -0.157 0.000 0.300 491 G C -1.523 173.372 174.900 -0.009 0.000 1.375 491 G CA -1.099 43.999 45.100 -0.004 0.000 0.885 491 G HN 0.400 nan 8.290 nan 0.000 0.599 492 N N 0.062 118.754 118.700 -0.014 0.000 2.495 492 N HA 0.448 5.094 4.740 -0.157 0.000 0.280 492 N C -0.208 175.289 175.510 -0.022 0.000 1.168 492 N CA -0.625 52.415 53.050 -0.017 0.000 0.978 492 N CB 1.075 39.551 38.487 -0.018 0.000 1.191 492 N HN 0.440 nan 8.380 nan 0.000 0.497 493 K N 1.224 121.610 120.400 -0.023 0.000 2.307 493 K HA 0.147 4.373 4.320 -0.157 0.000 0.285 493 K C -0.639 175.939 176.600 -0.037 0.000 1.073 493 K CA -0.125 56.145 56.287 -0.029 0.000 0.996 493 K CB -0.378 32.106 32.500 -0.027 0.000 0.994 493 K HN 0.359 nan 8.250 nan 0.000 0.452 494 V N 0.184 120.071 119.914 -0.044 0.000 2.962 494 V HA 0.490 4.516 4.120 -0.157 0.000 0.313 494 V C -0.423 175.630 176.094 -0.068 0.000 1.099 494 V CA -1.341 60.928 62.300 -0.052 0.000 0.971 494 V CB 2.088 33.882 31.823 -0.049 0.000 1.028 494 V HN 0.603 nan 8.190 nan 0.000 0.430 495 R N 2.176 122.631 120.500 -0.075 0.000 2.666 495 R HA 0.561 4.807 4.340 -0.157 0.000 0.275 495 R C -0.531 175.718 176.300 -0.085 0.000 1.266 495 R CA -0.133 55.909 56.100 -0.097 0.000 1.401 495 R CB 0.751 30.980 30.300 -0.119 0.000 1.145 495 R HN 0.935 nan 8.270 nan 0.000 0.581 496 E N 1.840 121.987 120.200 -0.088 0.000 2.321 496 E HA 0.241 4.497 4.350 -0.157 0.000 0.278 496 E C -1.221 175.310 176.600 -0.116 0.000 0.902 496 E CA -1.028 55.322 56.400 -0.082 0.000 0.758 496 E CB 1.682 31.341 29.700 -0.068 0.000 1.213 496 E HN 0.098 nan 8.360 nan 0.000 0.426 497 R N 1.664 122.099 120.500 -0.108 0.000 2.438 497 R HA 0.196 4.442 4.340 -0.157 0.000 0.287 497 R C -0.465 175.717 176.300 -0.197 0.000 1.077 497 R CA 0.112 56.109 56.100 -0.173 0.000 1.034 497 R CB 1.152 31.406 30.300 -0.076 0.000 0.993 497 R HN 0.399 nan 8.270 nan 0.000 0.459 498 S N 4.759 120.231 115.700 -0.380 0.000 2.549 498 S HA 0.125 4.501 4.470 -0.157 0.000 0.286 498 S C -1.540 173.035 174.600 -0.043 0.000 1.314 498 S CA -1.231 56.838 58.200 -0.218 0.000 1.062 498 S CB 0.683 63.713 63.200 -0.283 0.000 0.865 498 S HN 0.547 nan 8.310 nan 0.000 0.498 499 P HA -0.100 nan 4.420 nan 0.000 0.218 499 P C 1.594 178.947 177.300 0.088 0.000 1.148 499 P CA 1.291 64.415 63.100 0.039 0.000 0.822 499 P CB -0.195 31.516 31.700 0.019 0.000 0.784 500 S N -1.717 114.075 115.700 0.153 0.000 2.440 500 S HA -0.156 4.220 4.470 -0.157 0.000 0.238 500 S C 1.527 176.285 174.600 0.263 0.000 1.010 500 S CA 1.058 59.379 58.200 0.202 0.000 0.972 500 S CB -1.506 61.853 63.200 0.264 0.000 0.774 500 S HN -0.019 nan 8.310 nan 0.000 0.501 501 F N 2.209 122.150 119.950 -0.015 0.000 2.743 501 F HA 0.372 4.803 4.527 -0.160 0.000 0.297 501 F C 2.085 177.820 175.800 -0.109 0.000 1.131 501 F CA -0.679 57.307 58.000 -0.023 0.000 1.426 501 F CB -0.778 38.240 39.000 0.030 0.000 1.116 501 F HN 0.344 nan 8.300 nan 0.000 0.583 502 G N 0.583 109.386 108.800 0.005 0.000 3.392 502 G HA2 0.027 3.893 3.960 -0.157 0.000 0.247 502 G HA3 0.027 3.893 3.960 -0.157 0.000 0.247 502 G C 0.054 174.518 174.900 -0.725 0.000 1.161 502 G CA 0.150 45.058 45.100 -0.320 0.000 1.739 502 G HN 0.058 nan 8.290 nan 0.000 0.619 503 E N 0.137 119.850 120.200 -0.812 0.000 2.265 503 E HA 0.300 4.556 4.350 -0.157 0.000 0.262 503 E C -0.790 175.401 176.600 -0.681 0.000 0.889 503 E CA -0.750 55.260 56.400 -0.651 0.000 0.789 503 E CB 1.362 30.919 29.700 -0.238 0.000 1.221 503 E HN 0.248 nan 8.360 nan 0.000 0.414 504 Y N 2.664 122.747 120.300 -0.362 0.000 2.453 504 Y HA 0.179 4.635 4.550 -0.157 0.000 0.247 504 Y C 0.756 176.363 175.900 -0.488 0.000 1.124 504 Y CA -0.117 57.678 58.100 -0.509 0.000 1.243 504 Y CB 0.346 38.346 38.460 -0.765 0.000 1.213 504 Y HN 0.437 nan 8.280 nan 0.000 0.523 505 Y N -1.278 119.107 120.300 0.141 0.000 2.483 505 Y HA 0.076 4.533 4.550 -0.155 0.000 0.258 505 Y C 2.424 178.386 175.900 0.103 0.000 1.083 505 Y CA 0.148 58.325 58.100 0.128 0.000 1.283 505 Y CB -0.436 38.103 38.460 0.132 0.000 1.178 505 Y HN 0.064 nan 8.280 nan 0.000 0.515 506 S N -0.641 115.193 115.700 0.222 0.000 2.402 506 S HA -0.204 4.172 4.470 -0.157 0.000 0.229 506 S C 1.441 176.119 174.600 0.130 0.000 1.021 506 S CA 1.648 59.960 58.200 0.186 0.000 0.974 506 S CB -0.555 62.761 63.200 0.192 0.000 0.800 506 S HN 0.435 nan 8.310 nan 0.000 0.484 507 H N 2.848 121.827 119.070 -0.153 0.000 2.333 507 H HA 0.184 4.646 4.556 -0.156 0.000 0.302 507 H C -0.624 174.496 175.328 -0.347 0.000 1.075 507 H CA 1.290 57.084 56.048 -0.423 0.000 1.348 507 H CB -1.737 27.526 29.762 -0.831 0.000 1.393 507 H HN 0.385 nan 8.280 nan 0.000 0.509 508 P HA -0.173 nan 4.420 nan 0.000 0.216 508 P C 1.499 178.988 177.300 0.314 0.000 1.153 508 P CA 1.696 64.952 63.100 0.261 0.000 0.858 508 P CB 0.099 31.977 31.700 0.296 0.000 0.789 509 R N -0.402 120.230 120.500 0.220 0.000 2.073 509 R HA -0.138 4.108 4.340 -0.157 0.000 0.234 509 R C 2.190 178.616 176.300 0.209 0.000 1.134 509 R CA 1.254 57.486 56.100 0.220 0.000 0.952 509 R CB -1.118 29.274 30.300 0.153 0.000 0.850 509 R HN 0.055 nan 8.270 nan 0.000 0.433 510 L N 0.509 121.799 121.223 0.111 0.000 2.042 510 L HA -0.153 4.093 4.340 -0.157 0.000 0.210 510 L C 1.995 178.919 176.870 0.090 0.000 1.076 510 L CA 1.797 56.666 54.840 0.048 0.000 0.749 510 L CB -0.774 41.241 42.059 -0.072 0.000 0.893 510 L HN 0.266 nan 8.230 nan 0.000 0.432 511 F N -0.717 119.260 119.950 0.046 0.000 2.075 511 F HA -0.281 4.154 4.527 -0.154 0.000 0.297 511 F C 2.346 178.140 175.800 -0.009 0.000 1.113 511 F CA 2.206 60.212 58.000 0.011 0.000 1.218 511 F CB -0.687 38.363 39.000 0.083 0.000 0.984 511 F HN 0.390 nan 8.300 nan 0.000 0.472 512 W N 1.522 122.774 121.300 -0.081 0.000 2.318 512 W HA -0.258 4.308 4.660 -0.158 0.000 0.313 512 W C 1.782 178.157 176.519 -0.239 0.000 1.221 512 W CA 1.920 59.161 57.345 -0.173 0.000 1.266 512 W CB -0.778 28.691 29.460 0.016 0.000 1.150 512 W HN 0.108 nan 8.180 nan 0.000 0.496 513 L N 1.098 122.238 121.223 -0.139 0.000 2.362 513 L HA -0.156 4.090 4.340 -0.157 0.000 0.219 513 L C 2.359 179.036 176.870 -0.323 0.000 1.134 513 L CA 1.068 55.761 54.840 -0.245 0.000 0.807 513 L CB -0.677 41.363 42.059 -0.032 0.000 0.927 513 L HN -0.136 nan 8.230 nan 0.000 0.447 514 S N -1.407 114.084 115.700 -0.348 0.000 2.562 514 S HA 0.035 4.411 4.470 -0.157 0.000 0.221 514 S C 0.737 175.052 174.600 -0.476 0.000 0.975 514 S CA 0.134 58.130 58.200 -0.340 0.000 0.918 514 S CB 0.008 63.050 63.200 -0.264 0.000 0.772 514 S HN 0.305 nan 8.310 nan 0.000 0.531 515 Q N 2.276 121.676 119.800 -0.666 0.000 2.306 515 Q HA 0.263 4.509 4.340 -0.157 0.000 0.241 515 Q C 0.644 176.246 176.000 -0.664 0.000 0.948 515 Q CA -0.081 55.293 55.803 -0.714 0.000 0.886 515 Q CB 0.351 28.581 28.738 -0.847 0.000 1.227 515 Q HN 0.431 nan 8.270 nan 0.000 0.457 516 T N -1.574 112.550 114.554 -0.717 0.000 2.748 516 T HA 0.122 4.377 4.350 -0.157 0.000 0.304 516 T C -1.718 172.507 174.700 -0.792 0.000 1.041 516 T CA -1.235 60.399 62.100 -0.775 0.000 1.033 516 T CB 0.209 68.353 68.868 -1.207 0.000 0.995 516 T HN 0.240 nan 8.240 nan 0.000 0.536 517 P HA -0.040 nan 4.420 nan 0.000 0.215 517 P C 1.365 178.449 177.300 -0.360 0.000 1.153 517 P CA 1.081 63.956 63.100 -0.374 0.000 0.853 517 P CB -0.247 31.357 31.700 -0.161 0.000 0.788 518 F N -0.411 119.337 119.950 -0.337 0.000 2.259 518 F HA 0.076 4.509 4.527 -0.157 0.000 0.298 518 F C 1.856 177.282 175.800 -0.623 0.000 1.088 518 F CA 0.774 58.506 58.000 -0.447 0.000 1.358 518 F CB -1.550 37.174 39.000 -0.460 0.000 1.040 518 F HN -0.108 nan 8.300 nan 0.000 0.505 519 E N 0.536 120.166 120.200 -0.950 0.000 2.106 519 E HA -0.194 4.061 4.350 -0.157 0.000 0.192 519 E C 2.220 178.610 176.600 -0.351 0.000 0.984 519 E CA 1.266 57.324 56.400 -0.571 0.000 0.806 519 E CB -0.237 29.084 29.700 -0.633 0.000 0.750 519 E HN 0.613 nan 8.360 nan 0.000 0.458 520 Q N 0.243 119.748 119.800 -0.492 0.000 2.084 520 Q HA -0.202 4.044 4.340 -0.157 0.000 0.202 520 Q C 2.276 178.284 176.000 0.013 0.000 0.978 520 Q CA 1.304 56.836 55.803 -0.452 0.000 0.844 520 Q CB -0.169 28.049 28.738 -0.867 0.000 0.898 520 Q HN 0.120 nan 8.270 nan 0.000 0.426 521 R N 0.054 120.538 120.500 -0.028 0.000 2.096 521 R HA -0.157 4.088 4.340 -0.157 0.000 0.235 521 R C 1.735 178.191 176.300 0.260 0.000 1.127 521 R CA 1.611 57.785 56.100 0.123 0.000 0.968 521 R CB -0.147 30.193 30.300 0.068 0.000 0.861 521 R HN 0.454 nan 8.270 nan 0.000 0.440 522 H N -0.426 118.732 119.070 0.148 0.000 2.423 522 H HA -0.042 4.419 4.556 -0.157 0.000 0.297 522 H C 2.112 177.556 175.328 0.193 0.000 1.075 522 H CA 1.246 57.399 56.048 0.174 0.000 1.342 522 H CB 0.072 29.945 29.762 0.184 0.000 1.395 522 H HN 0.220 nan 8.280 nan 0.000 0.530 523 I N 0.119 120.903 120.570 0.357 0.000 2.202 523 I HA -0.247 3.829 4.170 -0.157 0.000 0.242 523 I C 2.305 178.720 176.117 0.497 0.000 1.091 523 I CA 0.743 62.298 61.300 0.426 0.000 1.368 523 I CB -0.167 38.176 38.000 0.572 0.000 1.058 523 I HN 0.082 nan 8.210 nan 0.000 0.410 524 V N 1.032 121.222 119.914 0.461 0.000 2.287 524 V HA -0.331 3.695 4.120 -0.157 0.000 0.248 524 V C 2.068 178.337 176.094 0.293 0.000 1.053 524 V CA 2.170 64.685 62.300 0.358 0.000 1.027 524 V CB -0.672 31.320 31.823 0.281 0.000 0.646 524 V HN 0.422 nan 8.190 nan 0.000 0.447 525 D N 0.305 120.860 120.400 0.259 0.000 2.144 525 D HA -0.097 4.449 4.640 -0.157 0.000 0.199 525 D C 2.162 178.542 176.300 0.133 0.000 0.984 525 D CA 1.525 55.645 54.000 0.200 0.000 0.834 525 D CB -0.627 40.298 40.800 0.208 0.000 0.955 525 D HN 0.479 nan 8.370 nan 0.000 0.465 526 G N 0.013 108.876 108.800 0.105 0.000 2.433 526 G HA2 -0.245 3.621 3.960 -0.157 0.000 0.216 526 G HA3 -0.245 3.621 3.960 -0.157 0.000 0.216 526 G C 1.474 176.369 174.900 -0.009 0.000 1.186 526 G CA 0.241 45.306 45.100 -0.058 0.000 0.779 526 G HN 0.173 nan 8.290 nan 0.000 0.543 527 F N 1.832 121.820 119.950 0.064 0.000 2.095 527 F HA -0.090 4.343 4.527 -0.156 0.000 0.298 527 F C 3.203 178.924 175.800 -0.131 0.000 1.104 527 F CA 1.646 59.618 58.000 -0.047 0.000 1.232 527 F CB -0.468 38.511 39.000 -0.034 0.000 0.987 527 F HN 0.081 nan 8.300 nan 0.000 0.475 528 S N 0.072 115.868 115.700 0.161 0.000 2.359 528 S HA -0.253 4.123 4.470 -0.157 0.000 0.224 528 S C 1.876 176.500 174.600 0.041 0.000 1.035 528 S CA 1.562 59.804 58.200 0.071 0.000 1.018 528 S CB -0.905 62.358 63.200 0.105 0.000 0.876 528 S HN 0.400 nan 8.310 nan 0.000 0.448 529 F N 2.471 122.379 119.950 -0.070 0.000 2.102 529 F HA -0.118 4.314 4.527 -0.158 0.000 0.298 529 F C 2.393 178.125 175.800 -0.114 0.000 1.105 529 F CA 1.540 59.485 58.000 -0.092 0.000 1.239 529 F CB -0.268 38.614 39.000 -0.196 0.000 0.991 529 F HN 0.131 nan 8.300 nan 0.000 0.474 530 E N 0.497 120.694 120.200 -0.006 0.000 2.047 530 E HA -0.197 4.059 4.350 -0.157 0.000 0.191 530 E C 2.360 178.777 176.600 -0.305 0.000 0.987 530 E CA 1.553 57.913 56.400 -0.067 0.000 0.799 530 E CB -0.507 29.274 29.700 0.135 0.000 0.752 530 E HN 0.472 nan 8.360 nan 0.000 0.449 531 L N 0.892 121.841 121.223 -0.456 0.000 2.275 531 L HA -0.097 4.149 4.340 -0.157 0.000 0.215 531 L C 2.419 179.132 176.870 -0.261 0.000 1.119 531 L CA 0.445 55.004 54.840 -0.468 0.000 0.790 531 L CB -0.137 41.658 42.059 -0.440 0.000 0.919 531 L HN 0.001 nan 8.230 nan 0.000 0.443 532 S N -0.223 115.338 115.700 -0.231 0.000 2.423 532 S HA -0.120 4.256 4.470 -0.157 0.000 0.231 532 S C 1.705 176.196 174.600 -0.182 0.000 1.014 532 S CA 1.087 59.175 58.200 -0.187 0.000 0.965 532 S CB -0.036 63.047 63.200 -0.195 0.000 0.785 532 S HN 0.398 nan 8.310 nan 0.000 0.495 533 K N 0.906 121.178 120.400 -0.214 0.000 2.444 533 K HA 0.164 4.390 4.320 -0.157 0.000 0.193 533 K C -0.321 176.275 176.600 -0.007 0.000 1.024 533 K CA 0.041 56.259 56.287 -0.115 0.000 1.077 533 K CB 0.429 32.847 32.500 -0.137 0.000 0.833 533 K HN 0.096 nan 8.250 nan 0.000 0.517 534 V N 2.057 121.948 119.914 -0.038 0.000 2.427 534 V HA -0.029 3.996 4.120 -0.157 0.000 0.268 534 V C 1.470 177.553 176.094 -0.018 0.000 1.046 534 V CA -0.029 62.275 62.300 0.006 0.000 0.970 534 V CB 1.274 33.072 31.823 -0.042 0.000 1.001 534 V HN -0.011 nan 8.190 nan 0.000 0.476 535 V N 5.222 125.147 119.914 0.019 0.000 2.358 535 V HA -0.078 3.948 4.120 -0.157 0.000 0.246 535 V C 1.361 177.445 176.094 -0.017 0.000 1.047 535 V CA 1.355 63.662 62.300 0.012 0.000 1.035 535 V CB -0.473 31.374 31.823 0.041 0.000 0.658 535 V HN 0.760 nan 8.190 nan 0.000 0.452 536 R N 0.918 121.384 120.500 -0.057 0.000 2.248 536 R HA 0.161 4.407 4.340 -0.157 0.000 0.337 536 R C -1.663 174.524 176.300 -0.188 0.000 1.085 536 R CA -1.336 54.701 56.100 -0.105 0.000 0.934 536 R CB 0.554 30.721 30.300 -0.223 0.000 1.034 536 R HN 0.268 nan 8.270 nan 0.000 0.465 537 P HA -0.216 nan 4.420 nan 0.000 0.216 537 P C 0.771 178.044 177.300 -0.046 0.000 1.150 537 P CA 1.202 64.278 63.100 -0.040 0.000 0.837 537 P CB -0.028 31.684 31.700 0.021 0.000 0.786 538 Y N -1.124 119.179 120.300 0.005 0.000 2.256 538 Y HA -0.125 4.330 4.550 -0.157 0.000 0.288 538 Y C 1.968 177.877 175.900 0.016 0.000 1.155 538 Y CA 0.821 58.926 58.100 0.007 0.000 1.203 538 Y CB -1.813 36.651 38.460 0.007 0.000 0.980 538 Y HN -0.110 nan 8.280 nan 0.000 0.530 539 I N 0.887 121.039 120.570 -0.696 0.000 2.226 539 I HA -0.254 3.822 4.170 -0.157 0.000 0.245 539 I C 2.526 178.563 176.117 -0.134 0.000 1.100 539 I CA 1.473 62.548 61.300 -0.375 0.000 1.374 539 I CB -0.386 37.382 38.000 -0.387 0.000 1.057 539 I HN 0.206 nan 8.210 nan 0.000 0.413 540 R N 0.798 121.210 120.500 -0.147 0.000 2.081 540 R HA -0.179 4.067 4.340 -0.157 0.000 0.235 540 R C 2.131 178.389 176.300 -0.069 0.000 1.131 540 R CA 1.463 57.491 56.100 -0.121 0.000 0.960 540 R CB -0.404 29.820 30.300 -0.128 0.000 0.856 540 R HN 0.438 nan 8.270 nan 0.000 0.436 541 E N 0.491 120.671 120.200 -0.033 0.000 2.077 541 E HA -0.172 4.084 4.350 -0.157 0.000 0.193 541 E C 2.108 178.721 176.600 0.021 0.000 0.989 541 E CA 1.123 57.524 56.400 0.001 0.000 0.800 541 E CB -0.015 29.707 29.700 0.037 0.000 0.746 541 E HN 0.289 nan 8.360 nan 0.000 0.452 542 R N 0.227 120.754 120.500 0.045 0.000 2.115 542 R HA -0.068 4.178 4.340 -0.157 0.000 0.230 542 R C 2.363 178.696 176.300 0.055 0.000 1.111 542 R CA 0.858 56.997 56.100 0.064 0.000 0.976 542 R CB -0.164 30.193 30.300 0.095 0.000 0.870 542 R HN 0.053 nan 8.270 nan 0.000 0.445 543 V N 0.380 120.323 119.914 0.048 0.000 2.358 543 V HA -0.186 3.840 4.120 -0.157 0.000 0.246 543 V C 2.291 178.383 176.094 -0.003 0.000 1.047 543 V CA 1.419 63.763 62.300 0.073 0.000 1.035 543 V CB -0.225 31.654 31.823 0.093 0.000 0.658 543 V HN 0.103 nan 8.190 nan 0.000 0.452 544 V N 0.596 120.480 119.914 -0.050 0.000 2.332 544 V HA -0.332 3.694 4.120 -0.157 0.000 0.248 544 V C 2.307 178.369 176.094 -0.053 0.000 1.055 544 V CA 2.517 64.763 62.300 -0.089 0.000 1.038 544 V CB -0.716 31.056 31.823 -0.086 0.000 0.651 544 V HN 0.668 nan 8.190 nan 0.000 0.450 545 D N -0.771 119.629 120.400 0.001 0.000 2.104 545 D HA -0.206 4.340 4.640 -0.157 0.000 0.194 545 D C 2.278 178.658 176.300 0.133 0.000 0.994 545 D CA 1.271 55.303 54.000 0.054 0.000 0.830 545 D CB -0.046 40.802 40.800 0.081 0.000 0.959 545 D HN 0.337 nan 8.370 nan 0.000 0.452 546 Q N -0.159 119.696 119.800 0.092 0.000 2.084 546 Q HA -0.115 4.131 4.340 -0.157 0.000 0.202 546 Q C 2.598 178.635 176.000 0.061 0.000 0.978 546 Q CA 0.769 56.635 55.803 0.105 0.000 0.844 546 Q CB -0.364 28.454 28.738 0.132 0.000 0.898 546 Q HN 0.470 nan 8.270 nan 0.000 0.426 547 L N 0.089 121.285 121.223 -0.046 0.000 2.131 547 L HA -0.153 4.093 4.340 -0.157 0.000 0.210 547 L C 2.382 179.142 176.870 -0.184 0.000 1.092 547 L CA 0.991 55.724 54.840 -0.179 0.000 0.759 547 L CB -0.704 41.143 42.059 -0.353 0.000 0.903 547 L HN 0.108 nan 8.230 nan 0.000 0.435 548 A N -0.684 122.052 122.820 -0.140 0.000 2.070 548 A HA -0.203 4.023 4.320 -0.157 0.000 0.220 548 A C 1.758 179.173 177.584 -0.281 0.000 1.159 548 A CA 1.299 53.216 52.037 -0.200 0.000 0.656 548 A CB -0.720 18.166 19.000 -0.190 0.000 0.800 548 A HN 0.454 nan 8.150 nan 0.000 0.453 549 H N -1.220 117.643 119.070 -0.345 0.000 2.551 549 H HA 0.254 4.717 4.556 -0.156 0.000 0.266 549 H C 1.564 176.616 175.328 -0.459 0.000 0.977 549 H CA 0.976 56.689 56.048 -0.558 0.000 1.163 549 H CB 0.061 29.094 29.762 -1.215 0.000 1.381 549 H HN 0.507 nan 8.280 nan 0.000 0.581 550 I N -1.175 119.297 120.570 -0.163 0.000 2.900 550 I HA 0.079 4.155 4.170 -0.157 0.000 0.251 550 I C -0.113 175.928 176.117 -0.126 0.000 1.102 550 I CA 0.441 61.709 61.300 -0.053 0.000 1.457 550 I CB 0.647 38.642 38.000 -0.009 0.000 1.285 550 I HN 0.085 nan 8.210 nan 0.000 0.459 551 D N -0.305 119.945 120.400 -0.249 0.000 2.931 551 D HA 0.154 4.700 4.640 -0.157 0.000 0.215 551 D C 0.322 176.453 176.300 -0.282 0.000 1.297 551 D CA -0.390 53.442 54.000 -0.280 0.000 0.892 551 D CB 1.518 42.004 40.800 -0.525 0.000 1.642 551 D HN -0.059 nan 8.370 nan 0.000 0.560 552 L N 3.095 124.213 121.223 -0.175 0.000 2.046 552 L HA -0.073 4.173 4.340 -0.157 0.000 0.208 552 L C 1.255 178.045 176.870 -0.133 0.000 1.077 552 L CA 2.056 56.809 54.840 -0.145 0.000 0.747 552 L CB -0.810 41.193 42.059 -0.094 0.000 0.896 552 L HN 0.586 nan 8.230 nan 0.000 0.432 553 T N 0.892 115.390 114.554 -0.092 0.000 2.746 553 T HA -0.192 4.064 4.350 -0.157 0.000 0.267 553 T C 1.866 176.495 174.700 -0.117 0.000 1.039 553 T CA 1.556 63.641 62.100 -0.025 0.000 1.142 553 T CB -0.339 68.602 68.868 0.122 0.000 0.866 553 T HN 0.315 nan 8.240 nan 0.000 0.444 554 L N 1.751 122.737 121.223 -0.395 0.000 1.989 554 L HA 0.026 4.272 4.340 -0.157 0.000 0.211 554 L C 2.617 179.246 176.870 -0.402 0.000 1.071 554 L CA 2.136 56.572 54.840 -0.673 0.000 0.749 554 L CB -1.196 40.054 42.059 -1.348 0.000 0.890 554 L HN 0.212 nan 8.230 nan 0.000 0.431 555 A N -1.003 121.606 122.820 -0.352 0.000 1.883 555 A HA -0.279 3.947 4.320 -0.157 0.000 0.217 555 A C 2.216 179.699 177.584 -0.168 0.000 1.186 555 A CA 2.022 53.906 52.037 -0.256 0.000 0.624 555 A CB -0.734 18.137 19.000 -0.215 0.000 0.822 555 A HN 0.702 nan 8.150 nan 0.000 0.444 556 Q N -0.840 118.884 119.800 -0.127 0.000 2.050 556 Q HA -0.145 4.101 4.340 -0.157 0.000 0.202 556 Q C 2.481 178.451 176.000 -0.050 0.000 0.980 556 Q CA 1.439 57.197 55.803 -0.074 0.000 0.840 556 Q CB -0.396 28.312 28.738 -0.050 0.000 0.898 556 Q HN 0.695 nan 8.270 nan 0.000 0.424 557 A N 0.346 123.142 122.820 -0.039 0.000 1.902 557 A HA -0.143 4.083 4.320 -0.157 0.000 0.217 557 A C 2.335 179.917 177.584 -0.003 0.000 1.181 557 A CA 1.431 53.471 52.037 0.006 0.000 0.623 557 A CB -0.686 18.348 19.000 0.056 0.000 0.818 557 A HN 0.212 nan 8.150 nan 0.000 0.443 558 V N -0.165 119.718 119.914 -0.052 0.000 2.307 558 V HA -0.223 3.803 4.120 -0.157 0.000 0.245 558 V C 3.068 179.130 176.094 -0.052 0.000 1.045 558 V CA 1.886 64.155 62.300 -0.052 0.000 1.024 558 V CB -1.306 30.434 31.823 -0.140 0.000 0.651 558 V HN 0.612 nan 8.190 nan 0.000 0.449 559 A N -0.125 122.653 122.820 -0.071 0.000 1.908 559 A HA -0.299 3.927 4.320 -0.157 0.000 0.218 559 A C 2.355 179.920 177.584 -0.031 0.000 1.181 559 A CA 2.327 54.331 52.037 -0.056 0.000 0.627 559 A CB -0.543 18.420 19.000 -0.061 0.000 0.818 559 A HN 0.535 nan 8.150 nan 0.000 0.445 560 K N -0.457 119.932 120.400 -0.019 0.000 2.097 560 K HA -0.176 4.050 4.320 -0.157 0.000 0.206 560 K C 1.318 177.922 176.600 0.007 0.000 1.049 560 K CA 1.545 57.831 56.287 -0.002 0.000 0.933 560 K CB -0.202 32.303 32.500 0.007 0.000 0.717 560 K HN 0.425 nan 8.250 nan 0.000 0.442 561 N N 0.509 119.216 118.700 0.012 0.000 2.459 561 N HA -0.092 4.554 4.740 -0.157 0.000 0.181 561 N C 0.917 176.430 175.510 0.004 0.000 1.046 561 N CA 0.652 53.715 53.050 0.022 0.000 0.904 561 N CB 0.130 38.642 38.487 0.043 0.000 0.964 561 N HN 0.145 nan 8.380 nan 0.000 0.444 562 L N -0.434 120.781 121.223 -0.014 0.000 2.640 562 L HA 0.308 4.554 4.340 -0.157 0.000 0.230 562 L C 1.174 178.032 176.870 -0.020 0.000 1.123 562 L CA 0.080 54.903 54.840 -0.028 0.000 0.900 562 L CB -0.748 41.281 42.059 -0.050 0.000 1.146 562 L HN 0.203 nan 8.230 nan 0.000 0.484 563 G N 0.556 109.349 108.800 -0.011 0.000 2.176 563 G HA2 -0.288 3.578 3.960 -0.157 0.000 0.252 563 G HA3 -0.288 3.578 3.960 -0.157 0.000 0.252 563 G C 0.350 175.243 174.900 -0.011 0.000 1.024 563 G CA 0.391 45.487 45.100 -0.007 0.000 0.755 563 G HN 0.325 nan 8.290 nan 0.000 0.507 564 I N 0.026 120.585 120.570 -0.018 0.000 2.460 564 I HA 0.406 4.482 4.170 -0.157 0.000 0.298 564 I C 0.246 176.350 176.117 -0.021 0.000 0.989 564 I CA -0.676 60.611 61.300 -0.020 0.000 1.173 564 I CB 1.655 39.637 38.000 -0.030 0.000 1.338 564 I HN -0.002 nan 8.210 nan 0.000 0.456 565 E N 5.496 125.685 120.200 -0.018 0.000 2.145 565 E HA 0.315 4.571 4.350 -0.157 0.000 0.270 565 E C -1.044 175.541 176.600 -0.025 0.000 0.906 565 E CA -0.982 55.407 56.400 -0.020 0.000 0.761 565 E CB 1.751 31.443 29.700 -0.013 0.000 1.116 565 E HN 0.264 nan 8.360 nan 0.000 0.408 566 L N 2.902 124.104 121.223 -0.034 0.000 2.485 566 L HA 0.050 4.296 4.340 -0.157 0.000 0.275 566 L C 1.359 178.209 176.870 -0.035 0.000 1.207 566 L CA 0.426 55.241 54.840 -0.042 0.000 0.855 566 L CB -0.109 41.915 42.059 -0.058 0.000 1.114 566 L HN 0.604 nan 8.230 nan 0.000 0.485 567 T N -1.352 113.182 114.554 -0.034 0.000 2.788 567 T HA 0.153 4.409 4.350 -0.157 0.000 0.287 567 T C 1.064 175.742 174.700 -0.036 0.000 1.007 567 T CA -0.068 62.015 62.100 -0.029 0.000 1.005 567 T CB 0.500 69.354 68.868 -0.023 0.000 1.012 567 T HN 0.634 nan 8.240 nan 0.000 0.530 568 D N 0.494 120.876 120.400 -0.030 0.000 2.106 568 D HA -0.194 4.352 4.640 -0.157 0.000 0.191 568 D C 1.373 177.648 176.300 -0.042 0.000 0.997 568 D CA 1.379 55.361 54.000 -0.032 0.000 0.834 568 D CB -0.385 40.401 40.800 -0.023 0.000 0.956 568 D HN 0.538 nan 8.370 nan 0.000 0.448 569 D N 0.148 120.523 120.400 -0.041 0.000 2.144 569 D HA -0.136 4.410 4.640 -0.157 0.000 0.199 569 D C 2.197 178.446 176.300 -0.085 0.000 0.984 569 D CA 0.873 54.841 54.000 -0.052 0.000 0.834 569 D CB -0.287 40.490 40.800 -0.037 0.000 0.955 569 D HN 0.411 nan 8.370 nan 0.000 0.465 570 Q N -0.273 119.476 119.800 -0.085 0.000 2.084 570 Q HA -0.110 4.136 4.340 -0.157 0.000 0.202 570 Q C 2.075 177.995 176.000 -0.133 0.000 0.978 570 Q CA 0.554 56.283 55.803 -0.123 0.000 0.844 570 Q CB -0.019 28.663 28.738 -0.093 0.000 0.898 570 Q HN 0.152 nan 8.270 nan 0.000 0.426 571 L N 1.104 122.271 121.223 -0.094 0.000 2.187 571 L HA -0.170 4.076 4.340 -0.157 0.000 0.213 571 L C 1.236 178.055 176.870 -0.086 0.000 1.100 571 L CA 1.557 56.347 54.840 -0.083 0.000 0.765 571 L CB -0.424 41.600 42.059 -0.058 0.000 0.904 571 L HN 0.227 nan 8.230 nan 0.000 0.437 572 N N -1.007 117.640 118.700 -0.089 0.000 2.280 572 N HA 0.159 4.805 4.740 -0.157 0.000 0.192 572 N C 0.352 175.798 175.510 -0.107 0.000 1.109 572 N CA 0.003 53.004 53.050 -0.080 0.000 0.855 572 N CB 0.226 38.677 38.487 -0.059 0.000 0.974 572 N HN 0.230 nan 8.380 nan 0.000 0.482 573 I N 1.697 122.168 120.570 -0.165 0.000 2.662 573 I HA -0.071 4.005 4.170 -0.157 0.000 0.285 573 I C 0.382 176.402 176.117 -0.161 0.000 1.161 573 I CA 0.413 61.580 61.300 -0.223 0.000 1.415 573 I CB 0.091 37.824 38.000 -0.445 0.000 1.385 573 I HN -0.148 nan 8.210 nan 0.000 0.552 574 T N 8.624 123.113 114.554 -0.107 0.000 2.853 574 T HA 0.130 4.386 4.350 -0.157 0.000 0.298 574 T C -1.914 172.750 174.700 -0.060 0.000 0.978 574 T CA -0.790 61.273 62.100 -0.062 0.000 1.152 574 T CB 0.058 68.909 68.868 -0.028 0.000 0.914 574 T HN 0.428 nan 8.240 nan 0.000 0.539 575 P HA 0.190 nan 4.420 nan 0.000 0.269 575 P C -2.415 174.899 177.300 0.024 0.000 1.215 575 P CA -1.367 61.719 63.100 -0.023 0.000 0.780 575 P CB -0.418 31.277 31.700 -0.009 0.000 0.898 576 P HA 0.188 nan 4.420 nan 0.000 0.272 576 P C -2.330 175.024 177.300 0.089 0.000 1.240 576 P CA -1.233 61.935 63.100 0.114 0.000 0.791 576 P CB -0.956 30.859 31.700 0.192 0.000 0.978 577 P HA 0.142 nan 4.420 nan 0.000 0.274 577 P C -0.289 177.059 177.300 0.081 0.000 1.237 577 P CA -0.025 63.120 63.100 0.076 0.000 0.793 577 P CB 0.503 32.248 31.700 0.075 0.000 0.977 578 D N -0.086 120.353 120.400 0.066 0.000 2.363 578 D HA 0.073 4.619 4.640 -0.157 0.000 0.240 578 D C -0.059 176.288 176.300 0.077 0.000 1.236 578 D CA 0.049 54.085 54.000 0.060 0.000 0.927 578 D CB 0.401 41.229 40.800 0.048 0.000 1.150 578 D HN 0.002 nan 8.370 nan 0.000 0.458 579 V N 2.300 122.250 119.914 0.061 0.000 2.339 579 V HA 0.055 4.081 4.120 -0.157 0.000 0.261 579 V C 0.192 176.373 176.094 0.144 0.000 1.058 579 V CA -0.396 61.968 62.300 0.107 0.000 0.897 579 V CB -0.456 31.347 31.823 -0.034 0.000 1.052 579 V HN 0.590 nan 8.190 nan 0.000 0.480 580 N N 4.493 123.289 118.700 0.160 0.000 2.714 580 N HA -0.228 4.418 4.740 -0.157 0.000 0.252 580 N C 1.158 176.719 175.510 0.086 0.000 1.014 580 N CA 1.021 54.146 53.050 0.126 0.000 0.735 580 N CB -0.886 37.706 38.487 0.174 0.000 0.924 580 N HN 1.257 nan 8.380 nan 0.000 0.540 581 G N -1.964 106.876 108.800 0.068 0.000 2.176 581 G HA2 -0.327 3.539 3.960 -0.157 0.000 0.253 581 G HA3 -0.327 3.539 3.960 -0.157 0.000 0.253 581 G C 0.115 175.042 174.900 0.045 0.000 0.979 581 G CA 0.296 45.425 45.100 0.049 0.000 0.641 581 G HN 0.397 nan 8.290 nan 0.000 0.530 582 L N 1.202 122.457 121.223 0.052 0.000 2.331 582 L HA 0.390 4.636 4.340 -0.157 0.000 0.278 582 L C 1.602 178.486 176.870 0.024 0.000 1.106 582 L CA -0.156 54.706 54.840 0.037 0.000 0.824 582 L CB 1.073 43.156 42.059 0.040 0.000 1.142 582 L HN 0.238 nan 8.230 nan 0.000 0.443 583 K N 4.254 124.663 120.400 0.015 0.000 2.373 583 K HA 0.205 4.431 4.320 -0.157 0.000 0.202 583 K C -0.329 176.266 176.600 -0.009 0.000 1.025 583 K CA -0.092 56.200 56.287 0.009 0.000 1.115 583 K CB 0.566 33.072 32.500 0.009 0.000 0.858 583 K HN 0.729 nan 8.250 nan 0.000 0.525 584 K N -0.376 120.015 120.400 -0.015 0.000 2.991 584 K HA 0.148 4.374 4.320 -0.157 0.000 0.309 584 K C -2.407 174.179 176.600 -0.023 0.000 1.122 584 K CA -0.664 55.598 56.287 -0.040 0.000 0.879 584 K CB 0.494 32.951 32.500 -0.071 0.000 1.418 584 K HN -0.118 nan 8.250 nan 0.000 0.369 585 D N 2.266 122.647 120.400 -0.031 0.000 2.470 585 D HA 0.306 4.852 4.640 -0.157 0.000 0.233 585 D C -2.163 174.128 176.300 -0.016 0.000 1.372 585 D CA -1.841 52.161 54.000 0.002 0.000 0.994 585 D CB 2.159 42.983 40.800 0.040 0.000 1.377 585 D HN 0.269 nan 8.370 nan 0.000 0.586 586 P HA -0.122 nan 4.420 nan 0.000 0.221 586 P C 1.311 178.611 177.300 0.000 0.000 1.145 586 P CA 0.917 63.996 63.100 -0.036 0.000 0.795 586 P CB 0.159 31.848 31.700 -0.019 0.000 0.775 587 S N -1.261 114.472 115.700 0.055 0.000 2.507 587 S HA -0.052 4.324 4.470 -0.157 0.000 0.235 587 S C 1.676 176.376 174.600 0.167 0.000 0.988 587 S CA 0.701 58.971 58.200 0.116 0.000 0.944 587 S CB -1.365 61.924 63.200 0.148 0.000 0.762 587 S HN 0.138 nan 8.310 nan 0.000 0.526 588 L N 1.097 122.387 121.223 0.111 0.000 2.446 588 L HA 0.208 4.454 4.340 -0.157 0.000 0.219 588 L C 1.509 178.320 176.870 -0.098 0.000 1.116 588 L CA 0.154 55.068 54.840 0.123 0.000 0.844 588 L CB -0.288 41.834 42.059 0.105 0.000 0.970 588 L HN 0.336 nan 8.230 nan 0.000 0.457 589 S N -0.370 115.238 115.700 -0.152 0.000 2.586 589 S HA 0.270 4.646 4.470 -0.157 0.000 0.274 589 S C 1.073 175.574 174.600 -0.166 0.000 1.281 589 S CA -0.593 57.461 58.200 -0.244 0.000 1.035 589 S CB 1.315 64.364 63.200 -0.251 0.000 0.962 589 S HN 0.161 nan 8.310 nan 0.000 0.512 590 L N 3.142 124.188 121.223 -0.295 0.000 2.131 590 L HA 0.030 4.276 4.340 -0.157 0.000 0.206 590 L C 0.932 177.535 176.870 -0.444 0.000 1.087 590 L CA 1.121 55.683 54.840 -0.463 0.000 0.767 590 L CB -0.258 41.224 42.059 -0.963 0.000 0.917 590 L HN 0.774 nan 8.230 nan 0.000 0.441 591 Y N -2.251 118.053 120.300 0.007 0.000 2.426 591 Y HA 0.334 4.790 4.550 -0.156 0.000 0.249 591 Y C 2.168 178.094 175.900 0.043 0.000 1.103 591 Y CA -0.128 58.024 58.100 0.086 0.000 1.256 591 Y CB -0.519 38.037 38.460 0.161 0.000 1.208 591 Y HN -0.036 nan 8.280 nan 0.000 0.519 592 A N 0.892 123.741 122.820 0.048 0.000 1.917 592 A HA -0.128 4.098 4.320 -0.157 0.000 0.219 592 A C 0.964 178.584 177.584 0.061 0.000 1.182 592 A CA 1.253 53.294 52.037 0.006 0.000 0.633 592 A CB -0.828 18.121 19.000 -0.084 0.000 0.819 592 A HN 0.316 nan 8.150 nan 0.000 0.448 593 I N 0.761 121.372 120.570 0.069 0.000 2.328 593 I HA 0.245 4.321 4.170 -0.157 0.000 0.287 593 I C -2.434 173.753 176.117 0.116 0.000 1.012 593 I CA -2.247 59.102 61.300 0.081 0.000 1.195 593 I CB 1.445 39.482 38.000 0.061 0.000 1.350 593 I HN -0.006 nan 8.210 nan 0.000 0.464 594 P HA -0.086 nan 4.420 nan 0.000 0.259 594 P C -0.185 177.189 177.300 0.123 0.000 1.163 594 P CA 0.588 63.775 63.100 0.145 0.000 0.760 594 P CB 0.342 32.111 31.700 0.115 0.000 0.762 595 D N 1.455 121.939 120.400 0.140 0.000 2.640 595 D HA 0.057 4.603 4.640 -0.157 0.000 0.282 595 D C 0.485 176.848 176.300 0.104 0.000 1.558 595 D CA -0.298 53.767 54.000 0.108 0.000 0.820 595 D CB -0.431 40.430 40.800 0.101 0.000 1.243 595 D HN 0.333 nan 8.370 nan 0.000 0.456 596 G N 0.282 109.156 108.800 0.123 0.000 2.484 596 G HA2 0.328 4.194 3.960 -0.157 0.000 0.235 596 G HA3 0.328 4.194 3.960 -0.157 0.000 0.235 596 G C -0.605 174.338 174.900 0.071 0.000 1.282 596 G CA 0.157 45.323 45.100 0.110 0.000 0.857 596 G HN 0.183 nan 8.290 nan 0.000 0.571 597 D N 0.279 120.714 120.400 0.057 0.000 2.936 597 D HA 0.233 4.779 4.640 -0.157 0.000 0.238 597 D C 0.900 177.217 176.300 0.028 0.000 1.248 597 D CA -0.499 53.521 54.000 0.032 0.000 0.903 597 D CB 1.945 42.757 40.800 0.019 0.000 1.544 597 D HN 0.309 nan 8.370 nan 0.000 0.543 598 V N 1.672 121.594 119.914 0.013 0.000 3.354 598 V HA 0.275 4.301 4.120 -0.157 0.000 0.258 598 V C 1.001 177.079 176.094 -0.027 0.000 1.159 598 V CA 0.150 62.452 62.300 0.004 0.000 1.125 598 V CB -0.587 31.233 31.823 -0.005 0.000 0.774 598 V HN 0.396 nan 8.190 nan 0.000 0.464 599 K N 1.319 121.695 120.400 -0.040 0.000 2.472 599 K HA 0.375 4.601 4.320 -0.157 0.000 0.280 599 K C 1.254 177.817 176.600 -0.061 0.000 1.028 599 K CA 1.157 57.398 56.287 -0.077 0.000 1.045 599 K CB 0.099 32.558 32.500 -0.068 0.000 0.902 599 K HN 0.726 nan 8.250 nan 0.000 0.478 600 G N 3.156 111.891 108.800 -0.108 0.000 2.217 600 G HA2 -0.216 3.650 3.960 -0.157 0.000 0.246 600 G HA3 -0.216 3.650 3.960 -0.157 0.000 0.246 600 G C 0.038 174.993 174.900 0.092 0.000 0.990 600 G CA -0.216 44.901 45.100 0.030 0.000 0.627 600 G HN 0.561 nan 8.290 nan 0.000 0.522 601 R N -0.094 120.425 120.500 0.031 0.000 2.726 601 R HA 0.638 4.884 4.340 -0.157 0.000 0.272 601 R C 0.222 176.584 176.300 0.103 0.000 1.097 601 R CA -0.143 56.005 56.100 0.079 0.000 1.198 601 R CB 0.615 30.953 30.300 0.062 0.000 1.114 601 R HN 0.372 nan 8.270 nan 0.000 0.550 602 V N 0.720 120.712 119.914 0.129 0.000 2.709 602 V HA 0.384 4.410 4.120 -0.157 0.000 0.308 602 V C -0.339 175.820 176.094 0.108 0.000 1.062 602 V CA -0.915 61.474 62.300 0.149 0.000 0.901 602 V CB 2.386 34.316 31.823 0.179 0.000 1.003 602 V HN 0.364 nan 8.190 nan 0.000 0.425 603 V N 2.874 122.846 119.914 0.097 0.000 2.495 603 V HA 0.771 4.797 4.120 -0.157 0.000 0.298 603 V C 0.424 176.570 176.094 0.087 0.000 1.031 603 V CA -0.595 61.750 62.300 0.075 0.000 0.871 603 V CB 1.851 33.704 31.823 0.049 0.000 0.988 603 V HN 1.045 nan 8.190 nan 0.000 0.432 604 A N 6.019 128.896 122.820 0.095 0.000 2.328 604 A HA 0.782 5.008 4.320 -0.157 0.000 0.284 604 A C -0.482 177.109 177.584 0.011 0.000 1.160 604 A CA -0.220 51.865 52.037 0.080 0.000 0.818 604 A CB 0.076 19.170 19.000 0.156 0.000 1.087 604 A HN 0.778 nan 8.150 nan 0.000 0.504 605 I N 3.400 123.972 120.570 0.003 0.000 2.382 605 I HA 0.204 4.280 4.170 -0.157 0.000 0.285 605 I C -0.630 175.483 176.117 -0.006 0.000 1.007 605 I CA -0.193 61.108 61.300 0.001 0.000 1.142 605 I CB 1.464 39.482 38.000 0.030 0.000 1.289 605 I HN 0.504 nan 8.210 nan 0.000 0.453 606 L N 7.387 128.579 121.223 -0.052 0.000 2.295 606 L HA 0.402 4.648 4.340 -0.157 0.000 0.288 606 L C -0.083 176.860 176.870 0.122 0.000 1.079 606 L CA -0.261 54.583 54.840 0.007 0.000 0.830 606 L CB 0.049 41.937 42.059 -0.284 0.000 1.200 606 L HN 0.431 nan 8.230 nan 0.000 0.438 607 L N 3.550 124.918 121.223 0.242 0.000 2.439 607 L HA 0.403 4.649 4.340 -0.157 0.000 0.259 607 L C 0.046 177.109 176.870 0.322 0.000 1.129 607 L CA -0.557 54.391 54.840 0.180 0.000 0.803 607 L CB 1.238 43.321 42.059 0.039 0.000 1.161 607 L HN 0.683 nan 8.230 nan 0.000 0.462 608 N N -2.225 116.568 118.700 0.156 0.000 2.509 608 N HA 0.232 4.878 4.740 -0.157 0.000 0.280 608 N C -0.233 175.278 175.510 0.001 0.000 1.306 608 N CA -0.770 52.417 53.050 0.228 0.000 0.782 608 N CB 0.800 39.404 38.487 0.195 0.000 1.493 608 N HN 0.538 nan 8.380 nan 0.000 0.498 609 D N -1.623 118.811 120.400 0.057 0.000 2.350 609 D HA -0.091 4.455 4.640 -0.157 0.000 0.216 609 D C -0.215 176.055 176.300 -0.049 0.000 0.968 609 D CA 1.117 55.084 54.000 -0.054 0.000 0.894 609 D CB -0.025 40.805 40.800 0.050 0.000 0.909 609 D HN 0.673 nan 8.370 nan 0.000 0.520 610 E N 0.045 120.236 120.200 -0.016 0.000 3.935 610 E HA 0.252 4.508 4.350 -0.157 0.000 0.226 610 E C -1.162 175.429 176.600 -0.015 0.000 1.220 610 E CA -0.428 55.961 56.400 -0.020 0.000 1.226 610 E CB 0.898 30.594 29.700 -0.007 0.000 1.237 610 E HN -0.081 nan 8.360 nan 0.000 0.417 611 V N 1.582 121.480 119.914 -0.027 0.000 2.788 611 V HA 0.008 4.034 4.120 -0.157 0.000 0.307 611 V C 0.776 176.857 176.094 -0.022 0.000 1.069 611 V CA 0.181 62.470 62.300 -0.018 0.000 1.173 611 V CB 0.533 32.340 31.823 -0.027 0.000 0.925 611 V HN 0.398 nan 8.190 nan 0.000 0.492 612 R N 3.362 123.849 120.500 -0.022 0.000 2.387 612 R HA 0.106 4.351 4.340 -0.157 0.000 0.321 612 R C 1.628 177.907 176.300 -0.035 0.000 1.174 612 R CA 0.577 56.659 56.100 -0.031 0.000 1.002 612 R CB -0.221 30.055 30.300 -0.040 0.000 1.028 612 R HN 0.975 nan 8.270 nan 0.000 0.482 613 S N 1.566 117.248 115.700 -0.031 0.000 2.423 613 S HA -0.289 4.087 4.470 -0.157 0.000 0.238 613 S C 1.893 176.475 174.600 -0.030 0.000 1.028 613 S CA 1.163 59.346 58.200 -0.029 0.000 1.000 613 S CB -0.149 63.036 63.200 -0.025 0.000 0.797 613 S HN 0.547 nan 8.310 nan 0.000 0.487 614 A N 1.945 124.743 122.820 -0.036 0.000 1.969 614 A HA -0.064 4.162 4.320 -0.157 0.000 0.218 614 A C 1.961 179.514 177.584 -0.053 0.000 1.169 614 A CA 1.480 53.492 52.037 -0.040 0.000 0.635 614 A CB -0.653 18.321 19.000 -0.044 0.000 0.810 614 A HN 0.482 nan 8.150 nan 0.000 0.445 615 D N 0.076 120.436 120.400 -0.067 0.000 2.084 615 D HA -0.093 4.453 4.640 -0.157 0.000 0.196 615 D C 2.010 178.281 176.300 -0.049 0.000 0.985 615 D CA 0.835 54.780 54.000 -0.091 0.000 0.826 615 D CB -0.406 40.327 40.800 -0.113 0.000 0.978 615 D HN 0.368 nan 8.370 nan 0.000 0.456 616 L N 0.497 121.702 121.223 -0.029 0.000 2.013 616 L HA -0.208 4.038 4.340 -0.157 0.000 0.212 616 L C 2.608 179.476 176.870 -0.004 0.000 1.073 616 L CA 0.910 55.745 54.840 -0.009 0.000 0.753 616 L CB -0.424 41.629 42.059 -0.009 0.000 0.890 616 L HN 0.105 nan 8.230 nan 0.000 0.432 617 L N -0.632 120.584 121.223 -0.011 0.000 1.990 617 L HA -0.279 3.967 4.340 -0.157 0.000 0.213 617 L C 2.823 179.692 176.870 -0.001 0.000 1.072 617 L CA 1.578 56.414 54.840 -0.007 0.000 0.755 617 L CB -0.733 41.319 42.059 -0.011 0.000 0.889 617 L HN 0.300 nan 8.230 nan 0.000 0.432 618 A N -0.047 122.769 122.820 -0.008 0.000 1.898 618 A HA -0.152 4.074 4.320 -0.157 0.000 0.216 618 A C 2.176 179.777 177.584 0.028 0.000 1.181 618 A CA 1.391 53.430 52.037 0.003 0.000 0.620 618 A CB -0.599 18.392 19.000 -0.015 0.000 0.819 618 A HN 0.354 nan 8.150 nan 0.000 0.442 619 I N -0.256 120.334 120.570 0.033 0.000 2.099 619 I HA -0.289 3.787 4.170 -0.157 0.000 0.239 619 I C 2.419 178.564 176.117 0.047 0.000 1.066 619 I CA 1.431 62.770 61.300 0.067 0.000 1.324 619 I CB -0.480 37.563 38.000 0.072 0.000 1.037 619 I HN 0.276 nan 8.210 nan 0.000 0.401 620 L N 0.564 121.806 121.223 0.032 0.000 2.083 620 L HA -0.238 4.008 4.340 -0.157 0.000 0.209 620 L C 2.653 179.535 176.870 0.020 0.000 1.083 620 L CA 1.459 56.315 54.840 0.027 0.000 0.752 620 L CB -0.623 41.450 42.059 0.022 0.000 0.899 620 L HN 0.286 nan 8.230 nan 0.000 0.433 621 K N 0.495 120.906 120.400 0.017 0.000 2.057 621 K HA -0.173 4.053 4.320 -0.157 0.000 0.207 621 K C 2.142 178.750 176.600 0.012 0.000 1.049 621 K CA 1.342 57.636 56.287 0.013 0.000 0.931 621 K CB -0.056 32.450 32.500 0.011 0.000 0.714 621 K HN 0.247 nan 8.250 nan 0.000 0.440 622 A N 1.345 124.177 122.820 0.021 0.000 1.898 622 A HA -0.067 4.159 4.320 -0.157 0.000 0.216 622 A C 2.124 179.712 177.584 0.007 0.000 1.181 622 A CA 1.096 53.145 52.037 0.020 0.000 0.620 622 A CB -0.566 18.457 19.000 0.039 0.000 0.819 622 A HN 0.304 nan 8.150 nan 0.000 0.442 623 L N -0.596 120.632 121.223 0.009 0.000 2.017 623 L HA -0.225 4.021 4.340 -0.157 0.000 0.208 623 L C 2.646 179.497 176.870 -0.032 0.000 1.073 623 L CA 2.093 56.927 54.840 -0.010 0.000 0.745 623 L CB -0.503 41.558 42.059 0.004 0.000 0.894 623 L HN 0.484 nan 8.230 nan 0.000 0.432 624 K N 0.530 120.920 120.400 -0.017 0.000 2.152 624 K HA -0.177 4.049 4.320 -0.157 0.000 0.206 624 K C 2.034 178.617 176.600 -0.029 0.000 1.048 624 K CA 1.363 57.636 56.287 -0.023 0.000 0.933 624 K CB -0.112 32.388 32.500 -0.001 0.000 0.721 624 K HN 0.265 nan 8.250 nan 0.000 0.447 625 A N 0.748 123.557 122.820 -0.019 0.000 2.015 625 A HA -0.087 4.139 4.320 -0.157 0.000 0.219 625 A C 1.485 179.052 177.584 -0.028 0.000 1.163 625 A CA 1.290 53.317 52.037 -0.018 0.000 0.646 625 A CB -0.145 18.850 19.000 -0.008 0.000 0.806 625 A HN 0.161 nan 8.150 nan 0.000 0.448 626 K N -1.252 119.125 120.400 -0.039 0.000 2.372 626 K HA 0.207 4.433 4.320 -0.157 0.000 0.200 626 K C 0.944 177.496 176.600 -0.081 0.000 1.022 626 K CA 0.600 56.859 56.287 -0.047 0.000 1.125 626 K CB 0.015 32.492 32.500 -0.037 0.000 0.855 626 K HN 0.692 nan 8.250 nan 0.000 0.524 627 G N 1.526 110.262 108.800 -0.107 0.000 2.160 627 G HA2 -0.236 3.630 3.960 -0.157 0.000 0.251 627 G HA3 -0.236 3.630 3.960 -0.157 0.000 0.251 627 G C 0.084 174.781 174.900 -0.338 0.000 1.008 627 G CA 0.258 45.248 45.100 -0.182 0.000 0.724 627 G HN 0.125 nan 8.290 nan 0.000 0.514 628 V N 0.785 120.544 119.914 -0.258 0.000 2.465 628 V HA 0.481 4.507 4.120 -0.157 0.000 0.279 628 V C 0.775 176.705 176.094 -0.273 0.000 1.045 628 V CA -0.718 61.428 62.300 -0.256 0.000 0.938 628 V CB 1.078 32.842 31.823 -0.099 0.000 0.986 628 V HN 0.455 nan 8.190 nan 0.000 0.467 629 H N 1.883 120.966 119.070 0.022 0.000 2.508 629 H HA 0.762 5.224 4.556 -0.157 0.000 0.358 629 H C 0.206 175.555 175.328 0.035 0.000 1.212 629 H CA 0.087 56.151 56.048 0.026 0.000 1.356 629 H CB 1.237 31.017 29.762 0.030 0.000 1.525 629 H HN 0.844 nan 8.280 nan 0.000 0.578 630 A N 1.143 124.070 122.820 0.178 0.000 2.454 630 A HA 0.571 4.797 4.320 -0.157 0.000 0.302 630 A C -1.143 176.501 177.584 0.099 0.000 1.079 630 A CA -1.078 51.025 52.037 0.111 0.000 0.731 630 A CB 1.169 20.216 19.000 0.077 0.000 1.299 630 A HN 0.793 nan 8.150 nan 0.000 0.413 631 K N 2.020 122.472 120.400 0.085 0.000 2.463 631 K HA 0.660 4.886 4.320 -0.157 0.000 0.255 631 K C -1.554 175.080 176.600 0.058 0.000 0.942 631 K CA -0.470 55.861 56.287 0.074 0.000 0.814 631 K CB 1.564 34.118 32.500 0.090 0.000 1.122 631 K HN 0.480 nan 8.250 nan 0.000 0.425 632 L N 4.201 125.450 121.223 0.045 0.000 2.283 632 L HA 0.281 4.526 4.340 -0.157 0.000 0.287 632 L C -0.709 176.186 176.870 0.041 0.000 1.073 632 L CA -0.978 53.884 54.840 0.036 0.000 0.822 632 L CB 0.276 42.346 42.059 0.019 0.000 1.186 632 L HN 0.447 nan 8.230 nan 0.000 0.436 633 L N 4.394 125.655 121.223 0.063 0.000 2.334 633 L HA 0.585 4.830 4.340 -0.157 0.000 0.273 633 L C -0.447 176.464 176.870 0.067 0.000 1.013 633 L CA -0.264 54.611 54.840 0.058 0.000 0.816 633 L CB 1.496 43.617 42.059 0.103 0.000 1.278 633 L HN 0.329 nan 8.230 nan 0.000 0.431 634 Y N -0.563 119.462 120.300 -0.459 0.000 2.896 634 Y HA 0.314 4.770 4.550 -0.157 0.000 0.317 634 Y C 0.946 176.123 175.900 -1.206 0.000 1.444 634 Y CA -0.445 57.237 58.100 -0.698 0.000 1.084 634 Y CB 1.419 39.720 38.460 -0.265 0.000 1.382 634 Y HN 0.556 nan 8.280 nan 0.000 0.471 635 S N 0.458 115.248 115.700 -1.517 0.000 2.558 635 S HA 0.264 4.640 4.470 -0.157 0.000 0.217 635 S C 0.013 174.309 174.600 -0.507 0.000 0.975 635 S CA 0.242 57.863 58.200 -0.964 0.000 0.912 635 S CB -0.103 62.674 63.200 -0.706 0.000 0.776 635 S HN 0.597 nan 8.310 nan 0.000 0.526 636 R N -1.152 119.132 120.500 -0.360 0.000 2.781 636 R HA 0.642 4.888 4.340 -0.157 0.000 0.269 636 R C -0.729 175.566 176.300 -0.009 0.000 1.025 636 R CA -1.109 54.920 56.100 -0.119 0.000 0.914 636 R CB 0.512 30.784 30.300 -0.048 0.000 1.236 636 R HN -0.079 nan 8.270 nan 0.000 0.465 637 M N 0.213 119.810 119.600 -0.005 0.000 2.012 637 M HA 0.460 4.846 4.480 -0.157 0.000 0.248 637 M C 1.081 177.399 176.300 0.030 0.000 1.238 637 M CA 1.092 56.398 55.300 0.010 0.000 0.980 637 M CB 0.451 33.050 32.600 -0.003 0.000 1.346 637 M HN 1.046 nan 8.290 nan 0.000 0.511 638 G N 0.751 109.560 108.800 0.015 0.000 2.662 638 G HA2 -0.127 3.739 3.960 -0.157 0.000 0.236 638 G HA3 -0.127 3.739 3.960 -0.157 0.000 0.236 638 G C -0.800 174.096 174.900 -0.008 0.000 1.212 638 G CA 0.101 45.206 45.100 0.008 0.000 0.968 638 G HN 0.905 nan 8.290 nan 0.000 0.576 639 E N -1.269 118.917 120.200 -0.024 0.000 2.430 639 E HA 0.643 4.899 4.350 -0.157 0.000 0.279 639 E C -0.678 175.846 176.600 -0.125 0.000 1.003 639 E CA -0.676 55.683 56.400 -0.067 0.000 0.801 639 E CB 2.401 32.071 29.700 -0.049 0.000 1.313 639 E HN 1.686 nan 8.360 nan 0.000 0.459 640 V N -2.008 117.792 119.914 -0.190 0.000 2.914 640 V HA 0.742 4.768 4.120 -0.157 0.000 0.314 640 V C -0.560 175.445 176.094 -0.148 0.000 1.084 640 V CA -0.640 61.511 62.300 -0.248 0.000 0.963 640 V CB 1.753 33.292 31.823 -0.473 0.000 1.025 640 V HN 0.755 nan 8.190 nan 0.000 0.432 641 T N 2.956 117.441 114.554 -0.115 0.000 2.771 641 T HA 0.771 5.027 4.350 -0.157 0.000 0.281 641 T C 0.440 175.099 174.700 -0.068 0.000 0.982 641 T CA 0.313 62.368 62.100 -0.074 0.000 0.978 641 T CB 1.297 70.135 68.868 -0.051 0.000 0.930 641 T HN 1.380 nan 8.240 nan 0.000 0.447 642 A N 2.546 125.332 122.820 -0.056 0.000 2.364 642 A HA 0.257 4.483 4.320 -0.157 0.000 0.258 642 A C 1.620 179.184 177.584 -0.034 0.000 1.131 642 A CA -0.146 51.864 52.037 -0.045 0.000 0.800 642 A CB 0.006 18.983 19.000 -0.038 0.000 1.086 642 A HN 0.907 nan 8.150 nan 0.000 0.508 643 D N -0.433 119.950 120.400 -0.028 0.000 2.218 643 D HA -0.166 4.380 4.640 -0.157 0.000 0.204 643 D C 0.601 176.889 176.300 -0.020 0.000 0.976 643 D CA 1.455 55.442 54.000 -0.022 0.000 0.853 643 D CB -0.298 40.490 40.800 -0.020 0.000 0.939 643 D HN 0.604 nan 8.370 nan 0.000 0.481 644 D N -1.353 119.034 120.400 -0.021 0.000 2.363 644 D HA 0.190 4.736 4.640 -0.157 0.000 0.214 644 D C 1.591 177.880 176.300 -0.018 0.000 1.093 644 D CA 0.419 54.408 54.000 -0.018 0.000 0.837 644 D CB 0.021 40.810 40.800 -0.018 0.000 0.948 644 D HN 0.346 nan 8.370 nan 0.000 0.507 645 G N 0.066 108.854 108.800 -0.021 0.000 2.175 645 G HA2 -0.260 3.606 3.960 -0.157 0.000 0.244 645 G HA3 -0.260 3.606 3.960 -0.157 0.000 0.244 645 G C 0.391 175.277 174.900 -0.023 0.000 0.982 645 G CA 0.196 45.283 45.100 -0.021 0.000 0.641 645 G HN 0.409 nan 8.290 nan 0.000 0.527 646 T N 1.651 116.191 114.554 -0.024 0.000 2.829 646 T HA 0.407 4.662 4.350 -0.157 0.000 0.293 646 T C 0.691 175.372 174.700 -0.032 0.000 0.970 646 T CA 0.129 62.215 62.100 -0.024 0.000 1.168 646 T CB 1.934 70.789 68.868 -0.023 0.000 0.911 646 T HN 0.441 nan 8.240 nan 0.000 0.535 647 V N 6.110 126.007 119.914 -0.029 0.000 2.461 647 V HA 0.278 4.304 4.120 -0.157 0.000 0.275 647 V C 0.277 176.349 176.094 -0.038 0.000 1.047 647 V CA -0.484 61.794 62.300 -0.036 0.000 0.955 647 V CB 0.596 32.401 31.823 -0.029 0.000 0.988 647 V HN 0.683 nan 8.190 nan 0.000 0.471 648 L N 8.199 129.390 121.223 -0.054 0.000 2.298 648 L HA 0.475 4.720 4.340 -0.157 0.000 0.284 648 L C -2.339 174.498 176.870 -0.055 0.000 1.013 648 L CA -1.771 53.038 54.840 -0.052 0.000 0.824 648 L CB 2.001 44.019 42.059 -0.068 0.000 1.221 648 L HN 0.425 nan 8.230 nan 0.000 0.418 649 P HA 0.244 nan 4.420 nan 0.000 0.281 649 P C -0.518 176.769 177.300 -0.021 0.000 1.252 649 P CA -0.122 62.963 63.100 -0.025 0.000 0.778 649 P CB 1.199 32.892 31.700 -0.011 0.000 0.895 650 I N 2.672 123.231 120.570 -0.019 0.000 2.342 650 I HA 0.185 4.261 4.170 -0.157 0.000 0.291 650 I C 1.623 177.743 176.117 0.006 0.000 1.010 650 I CA -0.340 60.958 61.300 -0.004 0.000 1.308 650 I CB 1.344 39.350 38.000 0.011 0.000 1.400 650 I HN 0.368 nan 8.210 nan 0.000 0.488 651 A N 5.312 128.140 122.820 0.014 0.000 1.930 651 A HA 0.535 4.761 4.320 -0.157 0.000 0.215 651 A C 1.011 178.606 177.584 0.018 0.000 1.176 651 A CA 1.294 53.343 52.037 0.020 0.000 0.632 651 A CB 0.016 19.035 19.000 0.031 0.000 0.819 651 A HN 0.807 nan 8.150 nan 0.000 0.445 652 A N -2.131 120.697 122.820 0.014 0.000 2.564 652 A HA 0.592 4.818 4.320 -0.157 0.000 0.291 652 A C -0.032 177.525 177.584 -0.045 0.000 1.102 652 A CA 0.133 52.173 52.037 0.005 0.000 0.660 652 A CB -0.211 18.814 19.000 0.042 0.000 1.283 652 A HN 0.755 nan 8.150 nan 0.000 0.430 653 T N -1.910 112.606 114.554 -0.064 0.000 2.881 653 T HA 0.585 4.841 4.350 -0.157 0.000 0.278 653 T C 0.891 175.558 174.700 -0.055 0.000 0.982 653 T CA -0.045 61.940 62.100 -0.193 0.000 0.989 653 T CB 0.190 68.963 68.868 -0.159 0.000 1.058 653 T HN 0.460 nan 8.240 nan 0.000 0.529 654 F N 0.362 120.333 119.950 0.035 0.000 2.126 654 F HA 0.000 4.433 4.527 -0.157 0.000 0.299 654 F C 2.962 178.902 175.800 0.233 0.000 1.096 654 F CA 0.833 58.908 58.000 0.125 0.000 1.255 654 F CB -0.548 38.500 39.000 0.081 0.000 0.997 654 F HN 0.699 nan 8.300 nan 0.000 0.479 655 A N 0.364 123.350 122.820 0.276 0.000 1.930 655 A HA 0.056 4.282 4.320 -0.157 0.000 0.215 655 A C 2.436 180.092 177.584 0.121 0.000 1.176 655 A CA 1.319 53.460 52.037 0.174 0.000 0.632 655 A CB -1.426 17.632 19.000 0.097 0.000 0.819 655 A HN 0.377 nan 8.150 nan 0.000 0.445 656 G N -0.626 108.229 108.800 0.093 0.000 2.432 656 G HA2 0.217 4.083 3.960 -0.157 0.000 0.219 656 G HA3 0.217 4.083 3.960 -0.157 0.000 0.219 656 G C 0.683 175.636 174.900 0.089 0.000 1.135 656 G CA 1.092 46.230 45.100 0.064 0.000 0.767 656 G HN 1.156 nan 8.290 nan 0.000 0.550 657 A N 0.949 123.860 122.820 0.151 0.000 3.082 657 A HA 0.662 4.888 4.320 -0.157 0.000 0.328 657 A C -2.558 175.186 177.584 0.266 0.000 1.089 657 A CA -1.160 50.979 52.037 0.171 0.000 0.802 657 A CB 1.264 20.363 19.000 0.165 0.000 1.138 657 A HN 0.137 nan 8.150 nan 0.000 0.474 658 P HA 0.025 nan 4.420 nan 0.000 0.271 658 P C 1.288 178.421 177.300 -0.278 0.000 1.233 658 P CA 0.411 63.459 63.100 -0.086 0.000 0.789 658 P CB 0.840 32.481 31.700 -0.098 0.000 0.951 659 S N 1.136 116.300 115.700 -0.893 0.000 2.440 659 S HA -0.168 4.208 4.470 -0.157 0.000 0.238 659 S C 1.893 176.346 174.600 -0.245 0.000 1.010 659 S CA 1.072 58.903 58.200 -0.615 0.000 0.972 659 S CB -1.363 61.382 63.200 -0.760 0.000 0.774 659 S HN 0.380 nan 8.310 nan 0.000 0.501 660 L N 1.846 122.933 121.223 -0.227 0.000 2.129 660 L HA -0.109 4.137 4.340 -0.157 0.000 0.212 660 L C 3.020 179.717 176.870 -0.288 0.000 1.087 660 L CA 1.697 56.400 54.840 -0.227 0.000 0.757 660 L CB -1.531 40.377 42.059 -0.252 0.000 0.896 660 L HN 0.634 nan 8.230 nan 0.000 0.434 661 T N -2.982 111.469 114.554 -0.172 0.000 3.148 661 T HA 0.170 4.426 4.350 -0.157 0.000 0.253 661 T C 0.437 175.214 174.700 0.127 0.000 1.134 661 T CA 0.234 62.316 62.100 -0.031 0.000 1.051 661 T CB -0.501 68.442 68.868 0.125 0.000 0.959 661 T HN 0.176 nan 8.240 nan 0.000 0.525 662 V N -2.629 117.327 119.914 0.069 0.000 3.113 662 V HA 0.579 4.604 4.120 -0.157 0.000 0.316 662 V C -0.076 176.053 176.094 0.058 0.000 1.125 662 V CA -0.966 61.400 62.300 0.109 0.000 1.026 662 V CB 2.150 34.055 31.823 0.137 0.000 1.080 662 V HN -0.008 nan 8.190 nan 0.000 0.444 663 D N 0.922 121.360 120.400 0.063 0.000 2.355 663 D HA 0.491 5.037 4.640 -0.157 0.000 0.206 663 D C 0.550 176.827 176.300 -0.038 0.000 1.010 663 D CA 1.458 55.468 54.000 0.018 0.000 0.875 663 D CB 1.520 42.355 40.800 0.059 0.000 0.966 663 D HN 0.981 nan 8.370 nan 0.000 0.512 664 A N 0.160 122.976 122.820 -0.007 0.000 2.608 664 A HA 0.530 4.756 4.320 -0.157 0.000 0.292 664 A C -1.573 176.019 177.584 0.014 0.000 1.066 664 A CA -0.546 51.473 52.037 -0.030 0.000 0.676 664 A CB 1.553 20.523 19.000 -0.049 0.000 1.277 664 A HN -0.111 nan 8.150 nan 0.000 0.413 665 V N 1.481 121.395 119.914 -0.000 0.000 2.531 665 V HA 0.546 4.572 4.120 -0.157 0.000 0.301 665 V C -0.664 175.421 176.094 -0.015 0.000 1.034 665 V CA -0.186 62.125 62.300 0.018 0.000 0.865 665 V CB 1.461 33.312 31.823 0.048 0.000 0.995 665 V HN 0.689 nan 8.190 nan 0.000 0.424 666 I N 4.591 125.161 120.570 -0.001 0.000 2.406 666 I HA 0.526 4.602 4.170 -0.157 0.000 0.290 666 I C -0.794 175.340 176.117 0.027 0.000 0.999 666 I CA -0.885 60.441 61.300 0.043 0.000 1.124 666 I CB 2.220 40.279 38.000 0.098 0.000 1.289 666 I HN 0.286 nan 8.210 nan 0.000 0.441 667 V N 7.981 127.928 119.914 0.054 0.000 2.326 667 V HA 0.346 4.372 4.120 -0.157 0.000 0.281 667 V C -2.109 174.039 176.094 0.090 0.000 1.015 667 V CA -1.573 60.743 62.300 0.026 0.000 0.823 667 V CB 1.187 32.990 31.823 -0.034 0.000 1.009 667 V HN 0.559 nan 8.190 nan 0.000 0.436 668 P HA 0.224 nan 4.420 nan 0.000 0.276 668 P C 0.156 177.472 177.300 0.026 0.000 1.261 668 P CA -0.379 62.733 63.100 0.021 0.000 0.800 668 P CB 1.154 32.857 31.700 0.005 0.000 1.066 669 C N 0.125 119.415 119.300 -0.016 0.000 2.633 669 C HA 0.682 5.048 4.460 -0.157 0.000 0.345 669 C C 1.219 176.213 174.990 0.007 0.000 1.384 669 C CA 1.735 60.751 59.018 -0.005 0.000 2.418 669 C CB -0.890 26.827 27.740 -0.038 0.000 2.425 669 C HN 0.927 nan 8.230 nan 0.000 0.705 670 G N 2.073 110.879 108.800 0.011 0.000 2.288 670 G HA2 0.034 3.900 3.960 -0.157 0.000 0.227 670 G HA3 0.034 3.900 3.960 -0.157 0.000 0.227 670 G C -1.039 173.874 174.900 0.022 0.000 1.339 670 G CA -0.081 45.026 45.100 0.012 0.000 1.057 670 G HN 0.904 nan 8.290 nan 0.000 0.470 671 N N 1.648 120.367 118.700 0.032 0.000 2.663 671 N HA 0.256 4.902 4.740 -0.157 0.000 0.250 671 N C 1.607 177.153 175.510 0.059 0.000 1.129 671 N CA -0.504 52.568 53.050 0.036 0.000 0.995 671 N CB -0.096 38.413 38.487 0.037 0.000 1.324 671 N HN 0.385 nan 8.380 nan 0.000 0.512 672 I N 1.411 122.004 120.570 0.038 0.000 2.614 672 I HA -0.158 3.918 4.170 -0.157 0.000 0.258 672 I C 1.966 178.081 176.117 -0.002 0.000 1.189 672 I CA 0.600 61.919 61.300 0.033 0.000 1.462 672 I CB -1.522 36.455 38.000 -0.038 0.000 1.092 672 I HN 0.521 nan 8.210 nan 0.000 0.442 673 A N 0.610 123.425 122.820 -0.008 0.000 2.019 673 A HA -0.251 3.975 4.320 -0.157 0.000 0.219 673 A C 2.083 179.686 177.584 0.033 0.000 1.164 673 A CA 1.815 53.846 52.037 -0.011 0.000 0.644 673 A CB -0.604 18.390 19.000 -0.010 0.000 0.805 673 A HN 0.397 nan 8.150 nan 0.000 0.449 674 D N 0.743 121.187 120.400 0.074 0.000 2.106 674 D HA -0.186 4.360 4.640 -0.157 0.000 0.191 674 D C 1.618 178.002 176.300 0.139 0.000 0.997 674 D CA 2.018 56.090 54.000 0.120 0.000 0.834 674 D CB -0.231 40.678 40.800 0.181 0.000 0.956 674 D HN 0.629 nan 8.370 nan 0.000 0.448 675 I N -3.372 117.306 120.570 0.180 0.000 4.018 675 I HA 0.451 4.527 4.170 -0.157 0.000 0.337 675 I C 1.820 178.062 176.117 0.209 0.000 1.327 675 I CA 0.064 61.500 61.300 0.227 0.000 1.100 675 I CB 0.137 38.332 38.000 0.325 0.000 1.025 675 I HN -0.062 nan 8.210 nan 0.000 0.396 676 A N 1.415 124.259 122.820 0.040 0.000 2.067 676 A HA -0.114 4.112 4.320 -0.157 0.000 0.219 676 A C 1.568 179.128 177.584 -0.039 0.000 1.158 676 A CA 1.591 53.529 52.037 -0.164 0.000 0.661 676 A CB -0.408 18.402 19.000 -0.317 0.000 0.801 676 A HN 0.510 nan 8.150 nan 0.000 0.452 677 D N -0.521 119.890 120.400 0.018 0.000 2.363 677 D HA 0.010 4.556 4.640 -0.157 0.000 0.214 677 D C -0.014 176.323 176.300 0.062 0.000 1.093 677 D CA -0.134 53.882 54.000 0.027 0.000 0.837 677 D CB -0.148 40.659 40.800 0.012 0.000 0.948 677 D HN 0.301 nan 8.370 nan 0.000 0.507 678 N N 1.346 120.107 118.700 0.101 0.000 2.405 678 N HA 0.024 4.670 4.740 -0.157 0.000 0.260 678 N C 1.359 176.934 175.510 0.108 0.000 1.152 678 N CA 0.001 53.120 53.050 0.115 0.000 0.948 678 N CB 1.365 39.954 38.487 0.170 0.000 1.111 678 N HN -0.002 nan 8.380 nan 0.000 0.485 679 G N 3.482 112.336 108.800 0.090 0.000 2.440 679 G HA2 -0.280 3.586 3.960 -0.157 0.000 0.218 679 G HA3 -0.280 3.586 3.960 -0.157 0.000 0.218 679 G C 1.044 176.015 174.900 0.119 0.000 1.154 679 G CA 0.597 45.750 45.100 0.087 0.000 0.767 679 G HN 0.558 nan 8.290 nan 0.000 0.552 680 D N 0.768 121.251 120.400 0.139 0.000 2.117 680 D HA -0.012 4.534 4.640 -0.157 0.000 0.197 680 D C 2.829 179.187 176.300 0.097 0.000 0.987 680 D CA 1.253 55.373 54.000 0.200 0.000 0.829 680 D CB -0.461 40.511 40.800 0.285 0.000 0.961 680 D HN 0.296 nan 8.370 nan 0.000 0.460 681 A N 0.851 123.600 122.820 -0.119 0.000 1.902 681 A HA -0.192 4.034 4.320 -0.157 0.000 0.217 681 A C 2.036 179.451 177.584 -0.282 0.000 1.181 681 A CA 1.340 53.036 52.037 -0.569 0.000 0.623 681 A CB -0.476 18.183 19.000 -0.569 0.000 0.818 681 A HN 0.153 nan 8.150 nan 0.000 0.443 682 N N -1.559 117.131 118.700 -0.018 0.000 2.120 682 N HA -0.168 4.478 4.740 -0.157 0.000 0.188 682 N C 1.664 177.187 175.510 0.023 0.000 1.024 682 N CA 1.684 54.767 53.050 0.056 0.000 0.852 682 N CB -0.474 38.104 38.487 0.151 0.000 1.003 682 N HN 0.691 nan 8.380 nan 0.000 0.424 683 Y N 0.403 120.684 120.300 -0.031 0.000 2.224 683 Y HA -0.268 4.188 4.550 -0.157 0.000 0.289 683 Y C 2.376 178.236 175.900 -0.066 0.000 1.146 683 Y CA 1.202 59.276 58.100 -0.043 0.000 1.182 683 Y CB -0.301 38.142 38.460 -0.029 0.000 0.983 683 Y HN 0.024 nan 8.280 nan 0.000 0.524 684 Y N 0.422 120.601 120.300 -0.203 0.000 2.114 684 Y HA -0.339 4.117 4.550 -0.157 0.000 0.282 684 Y C 2.078 177.776 175.900 -0.336 0.000 1.165 684 Y CA 2.166 60.108 58.100 -0.264 0.000 1.148 684 Y CB -0.498 37.797 38.460 -0.275 0.000 0.972 684 Y HN 0.118 nan 8.280 nan 0.000 0.504 685 L N -1.205 119.942 121.223 -0.127 0.000 2.109 685 L HA -0.241 4.005 4.340 -0.157 0.000 0.207 685 L C 2.400 179.153 176.870 -0.195 0.000 1.086 685 L CA 1.354 56.097 54.840 -0.161 0.000 0.760 685 L CB -0.497 41.429 42.059 -0.223 0.000 0.910 685 L HN 0.285 nan 8.230 nan 0.000 0.437 686 M N -0.620 118.815 119.600 -0.275 0.000 2.175 686 M HA -0.207 4.179 4.480 -0.157 0.000 0.264 686 M C 2.228 178.286 176.300 -0.403 0.000 1.063 686 M CA 1.610 56.746 55.300 -0.274 0.000 1.119 686 M CB -0.277 32.176 32.600 -0.246 0.000 1.377 686 M HN 0.206 nan 8.290 nan 0.000 0.415 687 E N 0.523 120.292 120.200 -0.720 0.000 2.047 687 E HA -0.171 4.085 4.350 -0.157 0.000 0.191 687 E C 2.012 178.238 176.600 -0.623 0.000 0.987 687 E CA 1.243 57.163 56.400 -0.800 0.000 0.799 687 E CB 0.015 29.177 29.700 -0.897 0.000 0.752 687 E HN 0.463 nan 8.360 nan 0.000 0.449 688 A N 0.307 122.885 122.820 -0.404 0.000 1.933 688 A HA -0.213 4.013 4.320 -0.157 0.000 0.218 688 A C 2.036 179.511 177.584 -0.182 0.000 1.175 688 A CA 1.505 53.399 52.037 -0.239 0.000 0.628 688 A CB -0.908 18.009 19.000 -0.137 0.000 0.814 688 A HN 0.558 nan 8.150 nan 0.000 0.444 689 Y N 0.521 120.661 120.300 -0.265 0.000 2.114 689 Y HA -0.213 4.243 4.550 -0.157 0.000 0.284 689 Y C 2.418 178.197 175.900 -0.202 0.000 1.143 689 Y CA 2.369 60.346 58.100 -0.206 0.000 1.135 689 Y CB -0.274 38.080 38.460 -0.176 0.000 0.980 689 Y HN 0.309 nan 8.280 nan 0.000 0.499 690 K N -0.504 119.785 120.400 -0.184 0.000 2.074 690 K HA -0.244 3.982 4.320 -0.157 0.000 0.209 690 K C 1.050 177.541 176.600 -0.180 0.000 1.048 690 K CA 2.127 58.281 56.287 -0.223 0.000 0.926 690 K CB -0.497 31.817 32.500 -0.311 0.000 0.713 690 K HN 0.596 nan 8.250 nan 0.000 0.444 691 H N 0.574 119.526 119.070 -0.197 0.000 2.592 691 H HA 0.166 4.628 4.556 -0.156 0.000 0.291 691 H C -0.004 175.163 175.328 -0.270 0.000 1.052 691 H CA 0.070 55.995 56.048 -0.204 0.000 1.175 691 H CB -0.030 29.608 29.762 -0.206 0.000 1.378 691 H HN 0.145 nan 8.280 nan 0.000 0.576 692 L N -0.073 121.004 121.223 -0.243 0.000 4.040 692 L HA -0.297 3.949 4.340 -0.157 0.000 0.410 692 L C -0.295 176.314 176.870 -0.435 0.000 1.187 692 L CA 0.689 55.295 54.840 -0.390 0.000 0.956 692 L CB -1.705 40.110 42.059 -0.407 0.000 2.022 692 L HN 0.348 nan 8.230 nan 0.000 0.897 693 K N 0.842 121.051 120.400 -0.318 0.000 2.174 693 K HA 0.439 4.665 4.320 -0.157 0.000 0.275 693 K C -2.126 174.336 176.600 -0.230 0.000 1.015 693 K CA -1.809 54.311 56.287 -0.279 0.000 0.933 693 K CB 0.701 33.089 32.500 -0.186 0.000 1.025 693 K HN -0.200 nan 8.250 nan 0.000 0.463 694 P HA 0.035 nan 4.420 nan 0.000 0.264 694 P C -0.779 176.447 177.300 -0.123 0.000 1.193 694 P CA 0.409 63.402 63.100 -0.178 0.000 0.763 694 P CB 0.397 31.992 31.700 -0.175 0.000 0.810 695 I N 2.113 122.622 120.570 -0.100 0.000 2.545 695 I HA 0.616 4.692 4.170 -0.157 0.000 0.292 695 I C -0.215 175.842 176.117 -0.100 0.000 1.040 695 I CA -0.851 60.407 61.300 -0.070 0.000 1.068 695 I CB 2.180 40.168 38.000 -0.022 0.000 1.251 695 I HN 0.255 nan 8.210 nan 0.000 0.424 696 A N 7.615 130.378 122.820 -0.096 0.000 2.330 696 A HA 0.865 5.091 4.320 -0.157 0.000 0.313 696 A C -1.062 176.583 177.584 0.101 0.000 1.124 696 A CA -0.439 51.505 52.037 -0.156 0.000 0.774 696 A CB 0.891 19.645 19.000 -0.410 0.000 1.198 696 A HN 0.667 nan 8.150 nan 0.000 0.465 697 L N 2.321 123.663 121.223 0.199 0.000 2.349 697 L HA 0.715 4.961 4.340 -0.157 0.000 0.278 697 L C 0.293 177.382 176.870 0.366 0.000 0.996 697 L CA -0.520 54.474 54.840 0.257 0.000 0.825 697 L CB 1.921 44.077 42.059 0.162 0.000 1.243 697 L HN 0.776 nan 8.230 nan 0.000 0.412 698 A N 2.265 125.216 122.820 0.219 0.000 2.317 698 A HA 0.840 5.066 4.320 -0.157 0.000 0.327 698 A C 0.711 178.290 177.584 -0.008 0.000 1.178 698 A CA 0.299 52.325 52.037 -0.018 0.000 0.817 698 A CB 1.206 19.994 19.000 -0.354 0.000 1.189 698 A HN 0.972 nan 8.150 nan 0.000 0.489 699 G N 1.939 110.722 108.800 -0.029 0.000 2.665 699 G HA2 -0.364 3.502 3.960 -0.157 0.000 0.326 699 G HA3 -0.364 3.502 3.960 -0.157 0.000 0.326 699 G C 0.491 175.395 174.900 0.008 0.000 1.231 699 G CA 1.079 46.168 45.100 -0.019 0.000 0.992 699 G HN 0.729 nan 8.290 nan 0.000 0.549 700 D N 1.745 122.147 120.400 0.003 0.000 2.378 700 D HA 0.400 4.946 4.640 -0.157 0.000 0.227 700 D C 2.330 178.639 176.300 0.016 0.000 1.012 700 D CA 1.295 55.293 54.000 -0.003 0.000 0.905 700 D CB -0.398 40.393 40.800 -0.016 0.000 0.895 700 D HN 0.726 nan 8.370 nan 0.000 0.532 701 A N 0.131 123.001 122.820 0.083 0.000 2.167 701 A HA -0.068 4.158 4.320 -0.157 0.000 0.214 701 A C 1.965 179.673 177.584 0.207 0.000 1.151 701 A CA 0.383 52.546 52.037 0.210 0.000 0.735 701 A CB -0.181 18.950 19.000 0.218 0.000 0.802 701 A HN 0.093 nan 8.150 nan 0.000 0.467 702 R N -0.531 120.030 120.500 0.102 0.000 2.293 702 R HA -0.080 4.166 4.340 -0.157 0.000 0.219 702 R C 1.594 177.905 176.300 0.017 0.000 1.091 702 R CA 1.073 57.216 56.100 0.070 0.000 1.004 702 R CB -0.119 30.209 30.300 0.047 0.000 0.865 702 R HN 0.292 nan 8.270 nan 0.000 0.469 703 K N 0.050 120.416 120.400 -0.057 0.000 2.147 703 K HA -0.095 4.131 4.320 -0.157 0.000 0.205 703 K C 1.216 177.698 176.600 -0.197 0.000 1.049 703 K CA 1.368 57.553 56.287 -0.170 0.000 0.936 703 K CB -0.150 32.166 32.500 -0.306 0.000 0.722 703 K HN 0.120 nan 8.250 nan 0.000 0.446 704 F N 0.910 120.836 119.950 -0.040 0.000 2.451 704 F HA -0.114 4.319 4.527 -0.156 0.000 0.299 704 F C 1.742 177.494 175.800 -0.079 0.000 1.101 704 F CA 0.757 58.721 58.000 -0.060 0.000 1.436 704 F CB -0.033 38.930 39.000 -0.062 0.000 1.074 704 F HN -0.043 nan 8.300 nan 0.000 0.553 705 K N 0.324 120.770 120.400 0.078 0.000 2.160 705 K HA -0.240 3.986 4.320 -0.157 0.000 0.206 705 K C 2.304 178.878 176.600 -0.043 0.000 1.047 705 K CA 1.216 57.502 56.287 -0.003 0.000 0.930 705 K CB -0.379 32.117 32.500 -0.007 0.000 0.720 705 K HN 0.283 nan 8.250 nan 0.000 0.450 706 A N 0.947 123.746 122.820 -0.035 0.000 1.933 706 A HA -0.164 4.062 4.320 -0.157 0.000 0.218 706 A C 2.187 179.743 177.584 -0.047 0.000 1.175 706 A CA 2.122 54.131 52.037 -0.046 0.000 0.628 706 A CB -0.985 17.987 19.000 -0.048 0.000 0.814 706 A HN 0.457 nan 8.150 nan 0.000 0.444 707 T N 0.054 114.596 114.554 -0.019 0.000 2.833 707 T HA -0.086 4.170 4.350 -0.157 0.000 0.269 707 T C 1.379 176.016 174.700 -0.106 0.000 1.054 707 T CA 1.397 63.484 62.100 -0.022 0.000 1.135 707 T CB -0.647 68.243 68.868 0.038 0.000 0.869 707 T HN 0.757 nan 8.240 nan 0.000 0.466 708 I N -2.763 117.689 120.570 -0.196 0.000 3.889 708 I HA 0.458 4.534 4.170 -0.157 0.000 0.332 708 I C -0.358 175.502 176.117 -0.429 0.000 1.493 708 I CA -0.883 60.156 61.300 -0.435 0.000 1.158 708 I CB -0.089 37.483 38.000 -0.714 0.000 1.117 708 I HN -0.206 nan 8.210 nan 0.000 0.411 709 K N 2.619 122.891 120.400 -0.213 0.000 3.834 709 K HA -0.125 4.101 4.320 -0.157 0.000 0.276 709 K C -0.401 176.126 176.600 -0.122 0.000 0.850 709 K CA 0.757 56.965 56.287 -0.132 0.000 0.704 709 K CB -1.327 31.123 32.500 -0.084 0.000 1.644 709 K HN 0.625 nan 8.250 nan 0.000 0.440 710 I N 0.967 121.466 120.570 -0.118 0.000 2.331 710 I HA 0.199 4.275 4.170 -0.157 0.000 0.292 710 I C 1.185 177.283 176.117 -0.032 0.000 0.998 710 I CA -0.595 60.664 61.300 -0.067 0.000 1.267 710 I CB 1.433 39.393 38.000 -0.067 0.000 1.386 710 I HN 0.320 nan 8.210 nan 0.000 0.476 711 A N 4.670 127.483 122.820 -0.013 0.000 2.536 711 A HA -0.032 4.194 4.320 -0.157 0.000 0.234 711 A C 1.036 178.616 177.584 -0.005 0.000 1.076 711 A CA 0.007 52.040 52.037 -0.006 0.000 0.769 711 A CB 0.093 19.094 19.000 0.002 0.000 1.020 711 A HN 0.813 nan 8.150 nan 0.000 0.508 712 D N 0.058 120.455 120.400 -0.004 0.000 2.144 712 D HA -0.168 4.378 4.640 -0.157 0.000 0.199 712 D C 2.004 178.306 176.300 0.003 0.000 0.984 712 D CA 2.070 56.069 54.000 -0.002 0.000 0.834 712 D CB -0.143 40.655 40.800 -0.003 0.000 0.955 712 D HN 0.834 nan 8.370 nan 0.000 0.465 713 Q N 0.058 119.861 119.800 0.004 0.000 2.444 713 Q HA 0.278 4.524 4.340 -0.157 0.000 0.206 713 Q C 0.916 176.921 176.000 0.008 0.000 0.948 713 Q CA 0.566 56.373 55.803 0.006 0.000 0.946 713 Q CB 0.276 29.017 28.738 0.006 0.000 1.027 713 Q HN 0.088 nan 8.270 nan 0.000 0.513 714 G N 0.643 109.448 108.800 0.007 0.000 2.660 714 G HA2 -0.228 3.638 3.960 -0.157 0.000 0.247 714 G HA3 -0.228 3.638 3.960 -0.157 0.000 0.247 714 G C -1.349 173.558 174.900 0.011 0.000 1.328 714 G CA -0.237 44.868 45.100 0.009 0.000 0.884 714 G HN 0.428 nan 8.290 nan 0.000 0.531 715 E N -0.577 119.630 120.200 0.012 0.000 2.354 715 E HA 0.370 4.626 4.350 -0.157 0.000 0.283 715 E C -0.715 175.885 176.600 0.000 0.000 0.938 715 E CA -0.770 55.640 56.400 0.017 0.000 0.777 715 E CB 1.108 30.835 29.700 0.045 0.000 1.222 715 E HN 0.448 nan 8.360 nan 0.000 0.423 716 E N 1.466 121.659 120.200 -0.012 0.000 2.480 716 E HA 0.188 4.444 4.350 -0.157 0.000 0.258 716 E C 0.697 177.262 176.600 -0.059 0.000 0.984 716 E CA 1.608 57.986 56.400 -0.037 0.000 0.930 716 E CB 1.073 30.751 29.700 -0.038 0.000 0.936 716 E HN 0.871 nan 8.360 nan 0.000 0.466 717 G N 3.127 111.878 108.800 -0.081 0.000 2.231 717 G HA2 -0.188 3.678 3.960 -0.157 0.000 0.206 717 G HA3 -0.188 3.678 3.960 -0.157 0.000 0.206 717 G C 0.113 174.964 174.900 -0.083 0.000 0.996 717 G CA -0.442 44.590 45.100 -0.113 0.000 0.645 717 G HN 0.411 nan 8.290 nan 0.000 0.498 718 I N 2.303 122.845 120.570 -0.047 0.000 2.382 718 I HA 0.466 4.542 4.170 -0.157 0.000 0.285 718 I C 0.397 176.471 176.117 -0.072 0.000 1.007 718 I CA -1.111 60.168 61.300 -0.036 0.000 1.142 718 I CB 1.361 39.371 38.000 0.017 0.000 1.289 718 I HN -0.101 nan 8.210 nan 0.000 0.453 719 V N 7.421 127.251 119.914 -0.141 0.000 2.461 719 V HA 0.327 4.353 4.120 -0.157 0.000 0.275 719 V C 0.289 176.321 176.094 -0.104 0.000 1.047 719 V CA -0.404 61.760 62.300 -0.227 0.000 0.955 719 V CB 0.903 32.404 31.823 -0.536 0.000 0.988 719 V HN 0.858 nan 8.190 nan 0.000 0.471 720 E N 4.416 124.633 120.200 0.027 0.000 2.308 720 E HA 0.878 5.134 4.350 -0.157 0.000 0.275 720 E C -0.947 175.787 176.600 0.223 0.000 0.890 720 E CA -0.942 55.561 56.400 0.172 0.000 0.754 720 E CB 2.575 32.332 29.700 0.096 0.000 1.207 720 E HN 0.764 nan 8.360 nan 0.000 0.426 721 A N 2.036 125.016 122.820 0.267 0.000 2.586 721 A HA 0.350 4.576 4.320 -0.157 0.000 0.290 721 A C -0.494 177.121 177.584 0.051 0.000 1.086 721 A CA -0.632 51.504 52.037 0.165 0.000 0.665 721 A CB 1.191 20.340 19.000 0.248 0.000 1.279 721 A HN 0.613 nan 8.150 nan 0.000 0.423 722 D N 0.398 120.802 120.400 0.007 0.000 2.178 722 D HA 0.045 4.591 4.640 -0.157 0.000 0.202 722 D C 1.035 177.285 176.300 -0.084 0.000 0.974 722 D CA 2.252 56.236 54.000 -0.027 0.000 0.841 722 D CB 0.127 40.915 40.800 -0.019 0.000 0.953 722 D HN 0.795 nan 8.370 nan 0.000 0.478 723 S N -1.726 113.883 115.700 -0.152 0.000 2.656 723 S HA 0.630 5.005 4.470 -0.157 0.000 0.273 723 S C -0.660 173.619 174.600 -0.534 0.000 1.168 723 S CA -0.566 57.478 58.200 -0.259 0.000 0.817 723 S CB 1.879 64.981 63.200 -0.164 0.000 1.146 723 S HN -0.057 nan 8.310 nan 0.000 0.475 724 A N 1.491 123.915 122.820 -0.660 0.000 3.105 724 A HA 0.434 4.660 4.320 -0.157 0.000 0.272 724 A C 0.350 177.724 177.584 -0.350 0.000 1.466 724 A CA -0.262 51.162 52.037 -1.022 0.000 1.101 724 A CB -1.798 16.739 19.000 -0.773 0.000 1.065 724 A HN 0.862 nan 8.150 nan 0.000 0.643 725 D N -0.506 119.784 120.400 -0.184 0.000 2.169 725 D HA 0.218 4.764 4.640 -0.157 0.000 0.253 725 D C 1.516 177.852 176.300 0.059 0.000 1.257 725 D CA 0.341 54.319 54.000 -0.037 0.000 0.976 725 D CB -0.259 40.528 40.800 -0.020 0.000 1.195 725 D HN 0.008 nan 8.370 nan 0.000 0.534 726 G N -1.394 107.437 108.800 0.053 0.000 2.408 726 G HA2 -0.265 3.601 3.960 -0.157 0.000 0.217 726 G HA3 -0.265 3.601 3.960 -0.157 0.000 0.217 726 G C 1.615 176.567 174.900 0.087 0.000 1.150 726 G CA 1.006 46.145 45.100 0.065 0.000 0.776 726 G HN 0.465 nan 8.290 nan 0.000 0.542 727 S N -0.391 115.364 115.700 0.091 0.000 2.383 727 S HA -0.079 4.297 4.470 -0.157 0.000 0.227 727 S C 2.007 176.685 174.600 0.130 0.000 1.026 727 S CA 1.180 59.433 58.200 0.088 0.000 0.981 727 S CB -0.384 62.858 63.200 0.071 0.000 0.818 727 S HN 0.379 nan 8.310 nan 0.000 0.472 728 F N 1.905 121.852 119.950 -0.004 0.000 2.095 728 F HA -0.099 4.334 4.527 -0.157 0.000 0.298 728 F C 2.062 177.858 175.800 -0.008 0.000 1.104 728 F CA 1.668 59.664 58.000 -0.006 0.000 1.232 728 F CB -0.312 38.685 39.000 -0.004 0.000 0.987 728 F HN 0.192 nan 8.300 nan 0.000 0.475 729 M N 0.358 120.118 119.600 0.267 0.000 2.117 729 M HA -0.192 4.194 4.480 -0.157 0.000 0.262 729 M C 1.892 178.202 176.300 0.016 0.000 1.065 729 M CA 1.417 56.790 55.300 0.122 0.000 1.114 729 M CB -1.423 31.265 32.600 0.146 0.000 1.361 729 M HN 0.156 nan 8.290 nan 0.000 0.408 730 D N 0.341 120.757 120.400 0.025 0.000 2.123 730 D HA -0.158 4.388 4.640 -0.157 0.000 0.196 730 D C 1.976 178.255 176.300 -0.035 0.000 0.992 730 D CA 1.198 55.197 54.000 -0.001 0.000 0.833 730 D CB -0.130 40.676 40.800 0.010 0.000 0.954 730 D HN 0.487 nan 8.370 nan 0.000 0.455 731 E N 0.362 120.528 120.200 -0.056 0.000 2.085 731 E HA -0.138 4.118 4.350 -0.157 0.000 0.194 731 E C 2.132 178.651 176.600 -0.135 0.000 0.994 731 E CA 0.258 56.602 56.400 -0.093 0.000 0.801 731 E CB -0.043 29.587 29.700 -0.117 0.000 0.743 731 E HN 0.172 nan 8.360 nan 0.000 0.453 732 L N 0.971 122.081 121.223 -0.189 0.000 2.056 732 L HA -0.141 4.105 4.340 -0.157 0.000 0.207 732 L C 2.123 178.925 176.870 -0.113 0.000 1.078 732 L CA 1.476 56.201 54.840 -0.192 0.000 0.749 732 L CB -0.431 41.471 42.059 -0.263 0.000 0.901 732 L HN 0.227 nan 8.230 nan 0.000 0.433 733 L N -0.451 120.727 121.223 -0.075 0.000 2.141 733 L HA -0.189 4.057 4.340 -0.157 0.000 0.209 733 L C 2.435 179.281 176.870 -0.041 0.000 1.094 733 L CA 1.383 56.196 54.840 -0.046 0.000 0.763 733 L CB -0.622 41.421 42.059 -0.026 0.000 0.908 733 L HN 0.248 nan 8.230 nan 0.000 0.437 734 T N 0.012 114.537 114.554 -0.047 0.000 2.777 734 T HA -0.120 4.136 4.350 -0.157 0.000 0.266 734 T C 1.942 176.610 174.700 -0.053 0.000 1.040 734 T CA 1.106 63.183 62.100 -0.038 0.000 1.141 734 T CB -0.163 68.683 68.868 -0.036 0.000 0.868 734 T HN 0.186 nan 8.240 nan 0.000 0.444 735 L N 0.366 121.538 121.223 -0.085 0.000 2.017 735 L HA -0.076 4.169 4.340 -0.157 0.000 0.208 735 L C 2.722 179.526 176.870 -0.110 0.000 1.073 735 L CA 1.331 56.101 54.840 -0.117 0.000 0.745 735 L CB -0.584 41.384 42.059 -0.152 0.000 0.894 735 L HN 0.295 nan 8.230 nan 0.000 0.432 736 M N -0.556 118.994 119.600 -0.084 0.000 2.149 736 M HA -0.192 4.194 4.480 -0.157 0.000 0.261 736 M C 2.444 178.746 176.300 0.003 0.000 1.064 736 M CA 1.800 57.070 55.300 -0.051 0.000 1.102 736 M CB -0.542 32.038 32.600 -0.034 0.000 1.369 736 M HN 0.326 nan 8.290 nan 0.000 0.408 737 A N 0.143 122.966 122.820 0.006 0.000 2.067 737 A HA 0.075 4.301 4.320 -0.157 0.000 0.219 737 A C 2.173 179.802 177.584 0.075 0.000 1.158 737 A CA 1.632 53.694 52.037 0.041 0.000 0.661 737 A CB -0.600 18.417 19.000 0.028 0.000 0.801 737 A HN 0.505 nan 8.150 nan 0.000 0.452 738 A N -2.816 120.028 122.820 0.040 0.000 2.275 738 A HA 0.354 4.580 4.320 -0.157 0.000 0.212 738 A C 0.942 178.564 177.584 0.064 0.000 1.201 738 A CA 1.304 53.379 52.037 0.062 0.000 0.843 738 A CB -0.375 18.618 19.000 -0.011 0.000 0.873 738 A HN 0.941 nan 8.150 nan 0.000 0.492 739 H N -1.492 117.517 119.070 -0.101 0.000 4.806 739 H HA -0.167 4.295 4.556 -0.157 0.000 0.061 739 H C -0.004 175.097 175.328 -0.379 0.000 0.604 739 H CA 2.236 58.202 56.048 -0.136 0.000 0.938 739 H CB -0.639 29.148 29.762 0.041 0.000 0.431 739 H HN 0.438 nan 8.280 nan 0.000 0.803 740 R N -0.068 119.849 120.500 -0.970 0.000 2.867 740 R HA 0.621 4.867 4.340 -0.157 0.000 0.268 740 R C -0.636 174.834 176.300 -1.384 0.000 1.014 740 R CA -0.326 54.974 56.100 -1.332 0.000 0.946 740 R CB 1.798 31.003 30.300 -1.825 0.000 1.208 740 R HN 0.100 nan 8.270 nan 0.000 0.477 741 V N 2.389 121.728 119.914 -0.957 0.000 2.222 741 V HA 0.102 4.128 4.120 -0.157 0.000 0.253 741 V C 0.712 176.448 176.094 -0.598 0.000 1.210 741 V CA -0.429 61.474 62.300 -0.662 0.000 1.079 741 V CB -0.317 31.252 31.823 -0.423 0.000 1.265 741 V HN 0.725 nan 8.190 nan 0.000 0.494 742 W N 1.688 122.714 121.300 -0.456 0.000 2.392 742 W HA -0.172 4.394 4.660 -0.157 0.000 0.279 742 W C 2.498 178.795 176.519 -0.370 0.000 1.225 742 W CA 0.808 57.786 57.345 -0.611 0.000 1.233 742 W CB -0.378 28.306 29.460 -1.293 0.000 1.122 742 W HN 0.658 nan 8.180 nan 0.000 0.561 743 S N 0.678 116.331 115.700 -0.079 0.000 2.507 743 S HA -0.132 4.244 4.470 -0.157 0.000 0.235 743 S C 1.710 176.274 174.600 -0.061 0.000 0.988 743 S CA 0.824 58.998 58.200 -0.043 0.000 0.944 743 S CB -0.388 62.788 63.200 -0.040 0.000 0.762 743 S HN 0.410 nan 8.310 nan 0.000 0.526 744 R N 0.772 121.194 120.500 -0.129 0.000 2.275 744 R HA 0.223 4.469 4.340 -0.157 0.000 0.199 744 R C 1.779 178.012 176.300 -0.112 0.000 0.989 744 R CA 0.393 56.393 56.100 -0.166 0.000 1.016 744 R CB -0.405 29.683 30.300 -0.355 0.000 0.918 744 R HN 0.469 nan 8.270 nan 0.000 0.473 745 I N 1.839 122.385 120.570 -0.041 0.000 2.091 745 I HA -0.282 3.794 4.170 -0.157 0.000 0.240 745 I C -0.777 175.368 176.117 0.046 0.000 1.046 745 I CA 1.686 63.008 61.300 0.037 0.000 1.306 745 I CB -1.085 36.985 38.000 0.116 0.000 1.018 745 I HN 0.172 nan 8.210 nan 0.000 0.404 746 P HA -0.162 nan 4.420 nan 0.000 0.219 746 P C 1.126 178.459 177.300 0.055 0.000 1.146 746 P CA 1.495 64.627 63.100 0.055 0.000 0.808 746 P CB -0.065 31.664 31.700 0.049 0.000 0.779 747 K N -0.332 120.097 120.400 0.048 0.000 2.305 747 K HA 0.060 4.286 4.320 -0.157 0.000 0.199 747 K C 2.010 178.684 176.600 0.122 0.000 1.047 747 K CA 0.821 57.161 56.287 0.089 0.000 0.976 747 K CB -0.432 32.143 32.500 0.124 0.000 0.765 747 K HN 0.285 nan 8.250 nan 0.000 0.474 748 I N -1.196 119.414 120.570 0.067 0.000 2.830 748 I HA -0.114 3.962 4.170 -0.157 0.000 0.263 748 I C 1.500 177.671 176.117 0.090 0.000 1.230 748 I CA 1.214 62.564 61.300 0.083 0.000 1.480 748 I CB -0.229 37.766 38.000 -0.009 0.000 1.095 748 I HN -0.070 nan 8.210 nan 0.000 0.455 749 D N 2.386 122.836 120.400 0.083 0.000 2.133 749 D HA -0.186 4.360 4.640 -0.157 0.000 0.195 749 D C 1.626 177.970 176.300 0.073 0.000 0.997 749 D CA 1.391 55.438 54.000 0.078 0.000 0.840 749 D CB 0.111 40.955 40.800 0.073 0.000 0.947 749 D HN 0.203 nan 8.370 nan 0.000 0.452 750 K N -0.033 120.410 120.400 0.073 0.000 2.520 750 K HA 0.116 4.342 4.320 -0.157 0.000 0.205 750 K C 0.003 176.636 176.600 0.055 0.000 1.035 750 K CA -0.219 56.104 56.287 0.059 0.000 1.188 750 K CB 0.622 33.153 32.500 0.051 0.000 0.894 750 K HN 0.266 nan 8.250 nan 0.000 0.497 751 I N 3.261 123.872 120.570 0.069 0.000 2.362 751 I HA 0.229 4.305 4.170 -0.157 0.000 0.289 751 I C -2.523 173.627 176.117 0.054 0.000 0.994 751 I CA -2.578 58.755 61.300 0.055 0.000 1.158 751 I CB 2.019 40.071 38.000 0.087 0.000 1.315 751 I HN -0.118 nan 8.210 nan 0.000 0.451 752 P HA 0.392 nan 4.420 nan 0.000 0.260 752 P C -0.838 176.524 177.300 0.104 0.000 1.651 752 P CA -0.021 63.118 63.100 0.065 0.000 1.139 752 P CB 0.375 32.107 31.700 0.053 0.000 1.756 753 A N 0.000 122.884 122.820 0.106 0.000 2.254 753 A HA 0.000 4.226 4.320 -0.157 0.000 0.244 753 A CA 0.000 52.150 52.037 0.187 0.000 0.836 753 A CB 0.000 19.009 19.000 0.015 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486