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 1qws_1_A DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRNIRGFA 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 0.000 176.289 176.300 -0.018 0.000 2.045 27 D CA 0.000 53.991 54.000 -0.015 0.000 0.868 27 D CB 0.000 40.791 40.800 -0.015 0.000 0.688 28 S N 2.063 117.752 115.700 -0.018 0.000 2.503 28 S HA 0.364 4.872 4.470 0.064 0.000 0.317 28 S C 0.663 175.248 174.600 -0.024 0.000 1.162 28 S CA -0.280 57.908 58.200 -0.019 0.000 1.124 28 S CB 0.004 63.194 63.200 -0.016 0.000 1.207 28 S HN 0.344 nan 8.310 nan 0.000 0.538 29 L N 0.984 122.186 121.223 -0.035 0.000 2.397 29 L HA 0.968 5.346 4.340 0.064 0.000 0.266 29 L C 0.443 177.263 176.870 -0.083 0.000 1.040 29 L CA -1.246 53.561 54.840 -0.055 0.000 0.800 29 L CB -0.060 41.964 42.059 -0.059 0.000 1.324 29 L HN 0.358 nan 8.230 nan 0.000 0.469 30 A N -0.192 122.536 122.820 -0.154 0.000 2.296 30 A HA 0.709 5.067 4.320 0.064 0.000 0.264 30 A C -1.972 175.489 177.584 -0.204 0.000 1.097 30 A CA -0.948 50.930 52.037 -0.265 0.000 0.811 30 A CB -1.041 17.532 19.000 -0.711 0.000 1.072 30 A HN 0.786 nan 8.150 nan 0.000 0.495 31 P HA 0.226 nan 4.420 nan 0.000 0.286 31 P C 0.209 177.457 177.300 -0.088 0.000 1.293 31 P CA -0.174 62.873 63.100 -0.088 0.000 0.770 31 P CB 0.643 32.323 31.700 -0.034 0.000 1.206 32 E N 0.154 120.328 120.200 -0.042 0.000 2.028 32 E HA -0.173 4.216 4.350 0.064 0.000 0.191 32 E C 1.233 177.831 176.600 -0.004 0.000 0.988 32 E CA 1.776 58.160 56.400 -0.027 0.000 0.799 32 E CB -0.865 28.825 29.700 -0.015 0.000 0.755 32 E HN 0.465 nan 8.360 nan 0.000 0.447 33 D N -1.114 119.294 120.400 0.014 0.000 2.384 33 D HA 0.005 4.683 4.640 0.064 0.000 0.222 33 D C 1.215 177.557 176.300 0.070 0.000 0.976 33 D CA 0.927 54.948 54.000 0.035 0.000 0.915 33 D CB -0.565 40.255 40.800 0.033 0.000 0.896 33 D HN 0.305 nan 8.370 nan 0.000 0.523 34 G N 0.279 109.147 108.800 0.113 0.000 2.179 34 G HA2 -0.353 3.646 3.960 0.064 0.000 0.257 34 G HA3 -0.353 3.646 3.960 0.064 0.000 0.257 34 G C 1.049 176.113 174.900 0.273 0.000 1.010 34 G CA 0.899 46.148 45.100 0.248 0.000 0.736 34 G HN 0.649 nan 8.290 nan 0.000 0.513 35 S N -0.391 115.439 115.700 0.216 0.000 2.562 35 S HA 0.043 4.552 4.470 0.064 0.000 0.221 35 S C 1.805 176.494 174.600 0.148 0.000 0.975 35 S CA 1.031 59.308 58.200 0.129 0.000 0.918 35 S CB -0.591 62.654 63.200 0.075 0.000 0.772 35 S HN 1.073 nan 8.310 nan 0.000 0.531 36 H N 0.730 119.805 119.070 0.010 0.000 2.457 36 H HA 0.117 4.712 4.556 0.064 0.000 0.297 36 H C 1.251 176.589 175.328 0.018 0.000 1.092 36 H CA 0.824 56.879 56.048 0.011 0.000 1.309 36 H CB -0.139 29.628 29.762 0.009 0.000 1.382 36 H HN 0.339 nan 8.280 nan 0.000 0.535 37 R N 2.339 122.622 120.500 -0.361 0.000 2.295 37 R HA 0.284 4.662 4.340 0.064 0.000 0.324 37 R C -2.610 173.621 176.300 -0.114 0.000 0.968 37 R CA -2.562 53.338 56.100 -0.333 0.000 0.837 37 R CB 0.971 30.980 30.300 -0.486 0.000 1.133 37 R HN 0.139 nan 8.270 nan 0.000 0.450 38 P HA 0.050 nan 4.420 nan 0.000 0.267 38 P C -0.817 176.480 177.300 -0.005 0.000 1.205 38 P CA -0.170 62.924 63.100 -0.010 0.000 0.765 38 P CB 1.058 32.771 31.700 0.022 0.000 0.828 39 A N 3.553 126.376 122.820 0.006 0.000 2.546 39 A HA 0.320 4.679 4.320 0.064 0.000 0.243 39 A C 1.084 178.682 177.584 0.022 0.000 1.063 39 A CA 0.181 52.225 52.037 0.012 0.000 0.757 39 A CB -0.366 18.643 19.000 0.016 0.000 0.991 39 A HN 0.595 nan 8.150 nan 0.000 0.503 40 A N 3.254 126.087 122.820 0.020 0.000 3.118 40 A HA 0.490 4.848 4.320 0.064 0.000 0.256 40 A C 0.276 177.879 177.584 0.032 0.000 1.667 40 A CA -0.072 51.982 52.037 0.028 0.000 1.338 40 A CB -0.415 18.598 19.000 0.022 0.000 1.127 40 A HN 0.753 nan 8.150 nan 0.000 0.634 41 E N 0.100 120.321 120.200 0.036 0.000 2.413 41 E HA 0.375 4.763 4.350 0.064 0.000 0.277 41 E C -3.091 173.535 176.600 0.042 0.000 0.958 41 E CA -2.082 54.341 56.400 0.038 0.000 0.779 41 E CB 1.473 31.191 29.700 0.030 0.000 1.278 41 E HN 0.030 nan 8.360 nan 0.000 0.456 42 P HA 0.053 nan 4.420 nan 0.000 0.263 42 P C -0.657 176.658 177.300 0.024 0.000 1.195 42 P CA 0.358 63.478 63.100 0.033 0.000 0.762 42 P CB 0.235 31.943 31.700 0.014 0.000 0.799 43 T N 1.229 115.795 114.554 0.019 0.000 2.893 43 T HA 0.609 4.997 4.350 0.064 0.000 0.293 43 T C -2.888 171.793 174.700 -0.032 0.000 1.027 43 T CA -2.706 59.400 62.100 0.009 0.000 0.988 43 T CB 1.647 70.524 68.868 0.016 0.000 1.043 43 T HN 0.063 nan 8.240 nan 0.000 0.461 44 P HA 0.309 nan 4.420 nan 0.000 0.270 44 P C -2.717 174.459 177.300 -0.208 0.000 1.223 44 P CA -1.381 61.582 63.100 -0.229 0.000 0.785 44 P CB -0.914 30.739 31.700 -0.079 0.000 0.923 45 P HA 0.046 nan 4.420 nan 0.000 0.266 45 P C 1.111 178.372 177.300 -0.064 0.000 1.195 45 P CA 1.287 64.302 63.100 -0.142 0.000 0.768 45 P CB -0.168 31.442 31.700 -0.150 0.000 0.838 46 G N 2.192 110.981 108.800 -0.018 0.000 2.220 46 G HA2 -0.366 3.632 3.960 0.064 0.000 0.269 46 G HA3 -0.366 3.632 3.960 0.064 0.000 0.269 46 G C 1.133 176.035 174.900 0.003 0.000 0.977 46 G CA 0.535 45.636 45.100 0.001 0.000 0.634 46 G HN 0.691 nan 8.290 nan 0.000 0.539 47 A N -1.516 121.302 122.820 -0.003 0.000 1.970 47 A HA 0.455 4.814 4.320 0.064 0.000 0.216 47 A C 1.346 178.937 177.584 0.012 0.000 1.170 47 A CA 1.890 53.930 52.037 0.005 0.000 0.645 47 A CB 0.062 19.063 19.000 0.002 0.000 0.816 47 A HN 0.453 nan 8.150 nan 0.000 0.447 48 Q N -1.065 118.745 119.800 0.018 0.000 2.456 48 Q HA 0.455 4.833 4.340 0.064 0.000 0.283 48 Q C -2.959 173.058 176.000 0.029 0.000 1.084 48 Q CA -2.147 53.670 55.803 0.023 0.000 0.801 48 Q CB 1.155 29.911 28.738 0.030 0.000 1.434 48 Q HN 0.046 nan 8.270 nan 0.000 0.419 49 P HA 0.062 nan 4.420 nan 0.000 0.268 49 P C -0.283 177.048 177.300 0.052 0.000 1.205 49 P CA 0.094 63.208 63.100 0.023 0.000 0.771 49 P CB 0.320 32.028 31.700 0.013 0.000 0.858 50 T N -0.492 114.093 114.554 0.052 0.000 2.788 50 T HA 0.664 5.052 4.350 0.064 0.000 0.287 50 T C -0.033 174.748 174.700 0.136 0.000 1.007 50 T CA -0.534 61.653 62.100 0.144 0.000 1.005 50 T CB 0.827 69.737 68.868 0.070 0.000 1.012 50 T HN 0.562 nan 8.240 nan 0.000 0.530 51 A N 0.875 123.870 122.820 0.291 0.000 2.610 51 A HA 0.750 5.108 4.320 0.064 0.000 0.291 51 A C -3.110 174.726 177.584 0.421 0.000 1.086 51 A CA -1.895 50.289 52.037 0.245 0.000 0.677 51 A CB 0.406 19.501 19.000 0.158 0.000 1.278 51 A HN 0.647 nan 8.150 nan 0.000 0.414 52 P HA 0.130 nan 4.420 nan 0.000 0.264 52 P C 1.244 178.687 177.300 0.237 0.000 1.183 52 P CA 0.999 64.306 63.100 0.346 0.000 0.763 52 P CB 0.593 32.420 31.700 0.212 0.000 0.807 53 G N 2.316 111.215 108.800 0.165 0.000 2.469 53 G HA2 -0.298 3.701 3.960 0.064 0.000 0.219 53 G HA3 -0.298 3.701 3.960 0.064 0.000 0.219 53 G C 1.540 176.447 174.900 0.011 0.000 1.150 53 G CA 1.121 46.227 45.100 0.010 0.000 0.763 53 G HN 0.590 nan 8.290 nan 0.000 0.561 54 S N 0.020 115.732 115.700 0.020 0.000 2.474 54 S HA 0.131 4.640 4.470 0.064 0.000 0.235 54 S C 2.179 176.792 174.600 0.021 0.000 0.997 54 S CA 0.848 59.047 58.200 -0.001 0.000 0.949 54 S CB -0.167 63.026 63.200 -0.011 0.000 0.766 54 S HN 0.331 nan 8.310 nan 0.000 0.517 55 L N -0.297 120.955 121.223 0.048 0.000 2.298 55 L HA 0.284 4.662 4.340 0.064 0.000 0.209 55 L C 2.648 179.548 176.870 0.049 0.000 1.084 55 L CA 0.602 55.471 54.840 0.048 0.000 0.816 55 L CB -0.370 41.724 42.059 0.059 0.000 0.967 55 L HN 0.214 nan 8.230 nan 0.000 0.460 56 K N 1.744 122.185 120.400 0.067 0.000 2.025 56 K HA -0.017 4.341 4.320 0.064 0.000 0.207 56 K C 0.803 177.431 176.600 0.047 0.000 1.049 56 K CA 1.506 57.834 56.287 0.068 0.000 0.933 56 K CB -0.017 32.536 32.500 0.090 0.000 0.714 56 K HN 0.174 nan 8.250 nan 0.000 0.438 57 A N 0.654 123.493 122.820 0.032 0.000 3.258 57 A HA 0.351 4.709 4.320 0.064 0.000 0.318 57 A C -2.163 175.424 177.584 0.005 0.000 0.990 57 A CA -1.048 51.005 52.037 0.027 0.000 0.885 57 A CB 0.612 19.630 19.000 0.031 0.000 1.090 57 A HN 0.164 nan 8.150 nan 0.000 0.479 58 P HA -0.127 nan 4.420 nan 0.000 0.222 58 P C 0.095 177.387 177.300 -0.013 0.000 1.147 58 P CA 1.167 64.265 63.100 -0.004 0.000 0.790 58 P CB 0.319 32.021 31.700 0.003 0.000 0.780 59 D N -1.056 119.340 120.400 -0.005 0.000 2.339 59 D HA 0.023 4.701 4.640 0.064 0.000 0.217 59 D C 0.287 176.576 176.300 -0.020 0.000 1.050 59 D CA 0.545 54.539 54.000 -0.009 0.000 0.856 59 D CB -0.169 40.634 40.800 0.005 0.000 0.922 59 D HN 0.116 nan 8.370 nan 0.000 0.518 60 T N 1.998 116.536 114.554 -0.027 0.000 2.729 60 T HA 0.397 4.786 4.350 0.064 0.000 0.296 60 T C 0.458 175.112 174.700 -0.077 0.000 0.928 60 T CA -0.263 61.807 62.100 -0.050 0.000 1.045 60 T CB 1.165 69.998 68.868 -0.058 0.000 0.902 60 T HN -0.072 nan 8.240 nan 0.000 0.500 61 R N 2.795 123.244 120.500 -0.084 0.000 2.867 61 R HA 0.700 5.079 4.340 0.064 0.000 0.268 61 R C -0.663 175.579 176.300 -0.097 0.000 1.014 61 R CA -1.098 54.947 56.100 -0.093 0.000 0.946 61 R CB 1.656 31.909 30.300 -0.078 0.000 1.208 61 R HN 0.758 nan 8.270 nan 0.000 0.477 62 N N -1.638 117.007 118.700 -0.092 0.000 3.116 62 N HA -0.011 4.767 4.740 0.064 0.000 0.244 62 N C -0.114 175.351 175.510 -0.074 0.000 1.485 62 N CA -0.887 52.122 53.050 -0.068 0.000 0.884 62 N CB 0.759 39.235 38.487 -0.017 0.000 1.415 62 N HN 0.638 nan 8.380 nan 0.000 0.524 63 E N -0.281 119.889 120.200 -0.049 0.000 2.110 63 E HA -0.209 4.179 4.350 0.064 0.000 0.193 63 E C 1.084 177.615 176.600 -0.115 0.000 0.988 63 E CA 1.295 57.660 56.400 -0.058 0.000 0.804 63 E CB 0.086 29.777 29.700 -0.015 0.000 0.745 63 E HN 0.476 nan 8.360 nan 0.000 0.458 64 K N 0.698 120.996 120.400 -0.171 0.000 2.025 64 K HA -0.074 4.285 4.320 0.064 0.000 0.207 64 K C 2.049 178.484 176.600 -0.275 0.000 1.049 64 K CA 1.177 57.270 56.287 -0.324 0.000 0.933 64 K CB -0.419 31.731 32.500 -0.583 0.000 0.714 64 K HN 0.179 nan 8.250 nan 0.000 0.438 65 L N 0.877 121.952 121.223 -0.247 0.000 2.042 65 L HA -0.231 4.148 4.340 0.064 0.000 0.210 65 L C 1.883 178.634 176.870 -0.199 0.000 1.076 65 L CA 1.326 55.991 54.840 -0.292 0.000 0.749 65 L CB -0.627 41.253 42.059 -0.299 0.000 0.893 65 L HN 0.272 nan 8.230 nan 0.000 0.432 66 N N -0.193 118.417 118.700 -0.149 0.000 2.120 66 N HA -0.174 4.605 4.740 0.064 0.000 0.188 66 N C 2.033 177.481 175.510 -0.104 0.000 1.024 66 N CA 1.782 54.767 53.050 -0.108 0.000 0.852 66 N CB -0.518 37.920 38.487 -0.083 0.000 1.003 66 N HN 0.377 nan 8.380 nan 0.000 0.424 67 S N 0.384 116.013 115.700 -0.120 0.000 2.481 67 S HA 0.055 4.563 4.470 0.064 0.000 0.231 67 S C 1.764 176.299 174.600 -0.109 0.000 0.996 67 S CA 0.258 58.395 58.200 -0.104 0.000 0.942 67 S CB -0.476 62.658 63.200 -0.110 0.000 0.768 67 S HN 0.239 nan 8.310 nan 0.000 0.520 68 L N 0.881 122.024 121.223 -0.134 0.000 2.622 68 L HA 0.148 4.526 4.340 0.064 0.000 0.233 68 L C 2.570 179.389 176.870 -0.085 0.000 1.156 68 L CA 0.603 55.372 54.840 -0.119 0.000 0.866 68 L CB -0.377 41.593 42.059 -0.150 0.000 0.980 68 L HN 0.303 nan 8.230 nan 0.000 0.448 69 E N 0.894 121.048 120.200 -0.076 0.000 2.150 69 E HA -0.227 4.162 4.350 0.064 0.000 0.193 69 E C 1.734 178.310 176.600 -0.040 0.000 0.985 69 E CA 1.304 57.672 56.400 -0.053 0.000 0.814 69 E CB -0.008 29.663 29.700 -0.048 0.000 0.752 69 E HN 0.544 nan 8.360 nan 0.000 0.466 70 D N -0.201 120.173 120.400 -0.043 0.000 2.228 70 D HA -0.174 4.505 4.640 0.064 0.000 0.203 70 D C 1.669 177.950 176.300 -0.032 0.000 0.988 70 D CA 1.837 55.817 54.000 -0.034 0.000 0.864 70 D CB -0.437 40.342 40.800 -0.036 0.000 0.928 70 D HN 0.317 nan 8.370 nan 0.000 0.469 71 V N -3.620 116.273 119.914 -0.035 0.000 3.645 71 V HA 0.286 4.444 4.120 0.064 0.000 0.275 71 V C 0.923 177.006 176.094 -0.018 0.000 1.356 71 V CA -0.645 61.638 62.300 -0.027 0.000 1.051 71 V CB -0.444 31.361 31.823 -0.029 0.000 0.828 71 V HN -0.149 nan 8.190 nan 0.000 0.441 72 R N 1.946 122.435 120.500 -0.019 0.000 2.583 72 R HA 0.267 4.646 4.340 0.064 0.000 0.274 72 R C -0.389 175.912 176.300 0.000 0.000 0.998 72 R CA 0.381 56.479 56.100 -0.004 0.000 1.081 72 R CB 0.278 30.574 30.300 -0.006 0.000 0.940 72 R HN 0.300 nan 8.270 nan 0.000 0.413 73 K N 1.229 121.636 120.400 0.012 0.000 2.535 73 K HA 0.291 4.650 4.320 0.064 0.000 0.253 73 K C -0.109 176.512 176.600 0.035 0.000 0.953 73 K CA -0.226 56.060 56.287 -0.002 0.000 0.863 73 K CB 1.853 34.345 32.500 -0.013 0.000 1.111 73 K HN 0.710 nan 8.250 nan 0.000 0.431 74 G N 0.448 109.291 108.800 0.072 0.000 2.494 74 G HA2 0.292 4.291 3.960 0.064 0.000 0.270 74 G HA3 0.292 4.291 3.960 0.064 0.000 0.270 74 G C 0.284 175.316 174.900 0.221 0.000 1.423 74 G CA 0.213 45.415 45.100 0.170 0.000 1.055 74 G HN 0.708 nan 8.290 nan 0.000 0.536 75 S N -2.756 113.140 115.700 0.327 0.000 2.302 75 S HA 0.110 4.618 4.470 0.064 0.000 0.258 75 S C 0.324 175.068 174.600 0.241 0.000 0.957 75 S CA 0.189 58.573 58.200 0.308 0.000 1.330 75 S CB -0.205 63.085 63.200 0.149 0.000 0.982 75 S HN 0.614 nan 8.310 nan 0.000 0.459 76 E N 2.563 122.812 120.200 0.081 0.000 2.366 76 E HA 0.229 4.617 4.350 0.064 0.000 0.266 76 E C -0.346 176.113 176.600 -0.235 0.000 1.015 76 E CA 0.340 56.715 56.400 -0.042 0.000 0.906 76 E CB 0.014 29.693 29.700 -0.036 0.000 0.979 76 E HN 0.346 nan 8.360 nan 0.000 0.443 77 N N 2.044 120.652 118.700 -0.152 0.000 2.800 77 N HA -0.232 4.547 4.740 0.064 0.000 0.250 77 N C -1.376 173.998 175.510 -0.226 0.000 1.078 77 N CA 1.001 53.933 53.050 -0.197 0.000 0.804 77 N CB -1.689 36.651 38.487 -0.245 0.000 1.135 77 N HN 0.375 nan 8.380 nan 0.000 0.565 78 Y N 0.557 120.864 120.300 0.011 0.000 2.387 78 Y HA 0.651 5.240 4.550 0.065 0.000 0.330 78 Y C 0.932 176.836 175.900 0.007 0.000 1.133 78 Y CA -0.732 57.373 58.100 0.008 0.000 1.152 78 Y CB 1.077 39.542 38.460 0.008 0.000 1.215 78 Y HN 0.146 nan 8.280 nan 0.000 0.466 79 A N 2.674 125.611 122.820 0.196 0.000 2.407 79 A HA 0.391 4.750 4.320 0.064 0.000 0.248 79 A C -0.643 176.990 177.584 0.081 0.000 1.082 79 A CA -0.469 51.630 52.037 0.103 0.000 0.785 79 A CB 0.027 19.073 19.000 0.077 0.000 1.020 79 A HN 0.732 nan 8.150 nan 0.000 0.489 80 L N 2.724 123.976 121.223 0.049 0.000 2.367 80 L HA 0.581 4.960 4.340 0.064 0.000 0.275 80 L C 0.577 177.457 176.870 0.015 0.000 1.129 80 L CA 1.035 55.891 54.840 0.027 0.000 0.839 80 L CB 0.770 42.837 42.059 0.013 0.000 1.133 80 L HN 0.933 nan 8.230 nan 0.000 0.453 81 T N 0.280 114.836 114.554 0.004 0.000 2.865 81 T HA 0.654 5.043 4.350 0.064 0.000 0.294 81 T C 0.145 174.847 174.700 0.002 0.000 1.119 81 T CA -0.174 61.931 62.100 0.008 0.000 1.007 81 T CB 1.003 69.877 68.868 0.010 0.000 1.225 81 T HN 0.836 nan 8.240 nan 0.000 0.515 82 T N 0.218 114.788 114.554 0.026 0.000 2.698 82 T HA 0.256 4.644 4.350 0.064 0.000 0.295 82 T C 1.040 175.757 174.700 0.028 0.000 1.007 82 T CA -0.548 61.575 62.100 0.038 0.000 0.980 82 T CB -0.032 68.903 68.868 0.112 0.000 1.036 82 T HN 0.569 nan 8.240 nan 0.000 0.526 83 N N 0.433 119.152 118.700 0.032 0.000 2.520 83 N HA -0.060 4.718 4.740 0.064 0.000 0.185 83 N C 1.546 177.075 175.510 0.031 0.000 1.068 83 N CA 0.542 53.604 53.050 0.020 0.000 0.911 83 N CB -0.145 38.362 38.487 0.033 0.000 0.961 83 N HN 0.552 nan 8.380 nan 0.000 0.446 84 Q N -0.527 119.305 119.800 0.053 0.000 2.360 84 Q HA 0.188 4.566 4.340 0.064 0.000 0.202 84 Q C 0.759 176.781 176.000 0.036 0.000 0.915 84 Q CA 0.175 56.005 55.803 0.045 0.000 0.943 84 Q CB 0.468 29.240 28.738 0.057 0.000 1.064 84 Q HN 0.389 nan 8.270 nan 0.000 0.511 85 G N 0.522 109.342 108.800 0.033 0.000 2.132 85 G HA2 -0.224 3.774 3.960 0.064 0.000 0.234 85 G HA3 -0.224 3.774 3.960 0.064 0.000 0.234 85 G C 0.004 174.928 174.900 0.039 0.000 0.989 85 G CA 0.081 45.194 45.100 0.021 0.000 0.676 85 G HN 0.205 nan 8.290 nan 0.000 0.522 86 V N 1.641 121.596 119.914 0.069 0.000 2.406 86 V HA 0.358 4.516 4.120 0.064 0.000 0.272 86 V C 1.307 177.442 176.094 0.068 0.000 1.043 86 V CA -0.612 61.742 62.300 0.091 0.000 0.915 86 V CB 1.016 32.944 31.823 0.175 0.000 0.988 86 V HN 0.419 nan 8.190 nan 0.000 0.466 87 R N 4.450 124.981 120.500 0.053 0.000 2.570 87 R HA 0.298 4.677 4.340 0.064 0.000 0.277 87 R C -0.475 175.841 176.300 0.026 0.000 1.039 87 R CA 0.034 56.156 56.100 0.036 0.000 1.065 87 R CB 0.425 30.746 30.300 0.035 0.000 0.964 87 R HN 0.575 nan 8.270 nan 0.000 0.428 88 I N 2.167 122.740 120.570 0.004 0.000 2.353 88 I HA 0.106 4.315 4.170 0.064 0.000 0.293 88 I C 1.051 177.159 176.117 -0.016 0.000 0.992 88 I CA 0.037 61.323 61.300 -0.023 0.000 1.268 88 I CB 1.846 39.821 38.000 -0.043 0.000 1.387 88 I HN 0.773 nan 8.210 nan 0.000 0.478 89 A N 4.083 126.891 122.820 -0.021 0.000 1.878 89 A HA -0.015 4.344 4.320 0.064 0.000 0.213 89 A C 0.720 178.291 177.584 -0.023 0.000 1.192 89 A CA 1.051 53.080 52.037 -0.015 0.000 0.619 89 A CB 0.017 19.010 19.000 -0.010 0.000 0.837 89 A HN 0.690 nan 8.150 nan 0.000 0.446 90 D N -0.670 119.708 120.400 -0.036 0.000 2.421 90 D HA 0.323 5.002 4.640 0.064 0.000 0.254 90 D C -1.282 174.987 176.300 -0.052 0.000 1.238 90 D CA -0.390 53.587 54.000 -0.038 0.000 0.919 90 D CB 1.090 41.867 40.800 -0.037 0.000 1.152 90 D HN 0.080 nan 8.370 nan 0.000 0.552 91 D N 1.982 122.355 120.400 -0.046 0.000 2.370 91 D HA 0.041 4.719 4.640 0.064 0.000 0.230 91 D C 0.632 176.901 176.300 -0.052 0.000 1.143 91 D CA 0.284 54.252 54.000 -0.053 0.000 0.834 91 D CB 0.486 41.260 40.800 -0.044 0.000 0.944 91 D HN 0.229 nan 8.370 nan 0.000 0.504 92 Q N -0.627 119.144 119.800 -0.047 0.000 2.281 92 Q HA 0.259 4.638 4.340 0.064 0.000 0.215 92 Q C -0.166 175.805 176.000 -0.048 0.000 0.867 92 Q CA 0.169 55.945 55.803 -0.045 0.000 0.940 92 Q CB 0.762 29.479 28.738 -0.036 0.000 1.111 92 Q HN 0.202 nan 8.270 nan 0.000 0.513 93 N N 0.183 118.852 118.700 -0.051 0.000 2.264 93 N HA 0.277 5.055 4.740 0.064 0.000 0.288 93 N C -1.002 174.475 175.510 -0.055 0.000 1.094 93 N CA -0.220 52.801 53.050 -0.048 0.000 0.817 93 N CB 2.152 40.616 38.487 -0.038 0.000 1.604 93 N HN -0.166 nan 8.380 nan 0.000 0.473 94 S N 0.858 116.529 115.700 -0.049 0.000 2.585 94 S HA 0.192 4.701 4.470 0.064 0.000 0.273 94 S C 0.289 174.865 174.600 -0.041 0.000 1.339 94 S CA -0.502 57.669 58.200 -0.048 0.000 1.028 94 S CB 0.601 63.779 63.200 -0.037 0.000 0.906 94 S HN 0.384 nan 8.310 nan 0.000 0.528 95 L N 3.662 124.860 121.223 -0.041 0.000 2.360 95 L HA 0.384 4.763 4.340 0.064 0.000 0.276 95 L C 0.164 177.026 176.870 -0.012 0.000 1.121 95 L CA 0.421 55.246 54.840 -0.025 0.000 0.845 95 L CB -0.064 41.983 42.059 -0.020 0.000 1.143 95 L HN 0.722 nan 8.230 nan 0.000 0.452 96 R N 4.260 124.755 120.500 -0.009 0.000 2.808 96 R HA 0.844 5.223 4.340 0.064 0.000 0.272 96 R C -1.198 175.101 176.300 -0.001 0.000 0.995 96 R CA -0.846 55.251 56.100 -0.004 0.000 0.917 96 R CB 1.200 31.495 30.300 -0.008 0.000 1.217 96 R HN 0.587 nan 8.270 nan 0.000 0.471 97 A N 1.585 124.406 122.820 0.002 0.000 2.527 97 A HA 0.576 4.935 4.320 0.064 0.000 0.313 97 A C 0.699 178.283 177.584 0.001 0.000 1.410 97 A CA 0.343 52.382 52.037 0.003 0.000 1.060 97 A CB -0.869 18.134 19.000 0.005 0.000 1.137 97 A HN 1.269 nan 8.150 nan 0.000 0.542 98 G N 1.329 110.129 108.800 -0.000 0.000 2.733 98 G HA2 0.004 4.003 3.960 0.064 0.000 0.686 98 G HA3 0.004 4.003 3.960 0.064 0.000 0.686 98 G C 0.747 175.645 174.900 -0.004 0.000 1.373 98 G CA 0.206 45.305 45.100 -0.002 0.000 0.838 98 G HN 1.921 nan 8.290 nan 0.000 0.588 99 S N -0.327 115.370 115.700 -0.005 0.000 2.515 99 S HA 0.018 4.527 4.470 0.064 0.000 0.231 99 S C 1.515 176.110 174.600 -0.008 0.000 0.987 99 S CA 1.361 59.556 58.200 -0.008 0.000 0.936 99 S CB 0.063 63.258 63.200 -0.008 0.000 0.766 99 S HN 0.757 nan 8.310 nan 0.000 0.528 100 R N 0.948 121.444 120.500 -0.006 0.000 2.633 100 R HA 0.361 4.739 4.340 0.064 0.000 0.348 100 R C 0.804 177.101 176.300 -0.005 0.000 1.100 100 R CA 0.005 56.101 56.100 -0.006 0.000 1.068 100 R CB 0.774 31.071 30.300 -0.005 0.000 1.351 100 R HN 0.432 nan 8.270 nan 0.000 0.575 101 G N 1.594 110.391 108.800 -0.004 0.000 2.552 101 G HA2 0.416 4.414 3.960 0.064 0.000 0.318 101 G HA3 0.416 4.414 3.960 0.064 0.000 0.318 101 G C -2.416 172.482 174.900 -0.003 0.000 1.240 101 G CA -1.207 43.892 45.100 -0.003 0.000 1.002 101 G HN -0.100 nan 8.290 nan 0.000 0.493 102 P HA 0.216 nan 4.420 nan 0.000 0.274 102 P C -0.146 177.154 177.300 0.000 0.000 1.231 102 P CA -0.078 63.022 63.100 0.000 0.000 0.790 102 P CB 0.800 32.502 31.700 0.003 0.000 0.951 103 T N 2.711 117.265 114.554 -0.001 0.000 2.901 103 T HA 0.221 4.609 4.350 0.064 0.000 0.301 103 T C 0.522 175.226 174.700 0.007 0.000 1.012 103 T CA -0.061 62.038 62.100 -0.001 0.000 1.135 103 T CB -0.083 68.783 68.868 -0.004 0.000 0.936 103 T HN 0.182 nan 8.240 nan 0.000 0.539 104 L N 3.756 124.985 121.223 0.009 0.000 2.334 104 L HA 0.289 4.667 4.340 0.064 0.000 0.277 104 L C 1.466 178.353 176.870 0.028 0.000 1.075 104 L CA -0.784 54.067 54.840 0.019 0.000 0.804 104 L CB 0.749 42.821 42.059 0.023 0.000 1.174 104 L HN 0.512 nan 8.230 nan 0.000 0.438 105 L N 2.444 123.688 121.223 0.034 0.000 2.131 105 L HA -0.201 4.177 4.340 0.064 0.000 0.210 105 L C 2.364 179.274 176.870 0.066 0.000 1.092 105 L CA 1.708 56.574 54.840 0.044 0.000 0.759 105 L CB -0.593 41.489 42.059 0.039 0.000 0.903 105 L HN 0.801 nan 8.230 nan 0.000 0.435 106 E N -1.542 118.702 120.200 0.072 0.000 2.515 106 E HA -0.187 4.201 4.350 0.064 0.000 0.201 106 E C 0.257 176.956 176.600 0.164 0.000 1.071 106 E CA 0.301 56.769 56.400 0.114 0.000 0.880 106 E CB -0.543 29.216 29.700 0.098 0.000 0.828 106 E HN 0.370 nan 8.360 nan 0.000 0.540 107 D N 1.198 121.651 120.400 0.088 0.000 2.441 107 D HA -0.053 4.625 4.640 0.064 0.000 0.243 107 D C 0.416 176.733 176.300 0.028 0.000 1.257 107 D CA -0.393 53.618 54.000 0.019 0.000 1.027 107 D CB -0.155 40.626 40.800 -0.032 0.000 1.084 107 D HN 0.316 nan 8.370 nan 0.000 0.514 108 F N 1.910 121.870 119.950 0.015 0.000 2.407 108 F HA 0.083 4.649 4.527 0.064 0.000 0.299 108 F C 1.578 177.391 175.800 0.022 0.000 1.097 108 F CA 0.133 58.145 58.000 0.020 0.000 1.422 108 F CB -0.577 38.434 39.000 0.018 0.000 1.067 108 F HN 0.178 nan 8.300 nan 0.000 0.539 109 I N 0.393 120.541 120.570 -0.703 0.000 2.233 109 I HA -0.176 4.033 4.170 0.064 0.000 0.243 109 I C 2.476 178.481 176.117 -0.187 0.000 1.093 109 I CA 0.960 61.970 61.300 -0.484 0.000 1.380 109 I CB -0.519 37.134 38.000 -0.578 0.000 1.067 109 I HN 0.274 nan 8.210 nan 0.000 0.413 110 L N 1.113 122.243 121.223 -0.156 0.000 2.012 110 L HA -0.217 4.161 4.340 0.064 0.000 0.210 110 L C 2.636 179.498 176.870 -0.014 0.000 1.073 110 L CA 1.909 56.705 54.840 -0.073 0.000 0.748 110 L CB -0.520 41.502 42.059 -0.062 0.000 0.891 110 L HN 0.052 nan 8.230 nan 0.000 0.431 111 R N -0.661 119.848 120.500 0.015 0.000 2.092 111 R HA -0.167 4.211 4.340 0.064 0.000 0.231 111 R C 2.323 178.679 176.300 0.094 0.000 1.119 111 R CA 1.488 57.627 56.100 0.065 0.000 0.970 111 R CB -0.338 30.015 30.300 0.088 0.000 0.864 111 R HN 0.603 nan 8.270 nan 0.000 0.440 112 E N 1.145 121.402 120.200 0.095 0.000 2.047 112 E HA -0.236 4.153 4.350 0.064 0.000 0.191 112 E C 1.924 178.600 176.600 0.128 0.000 0.987 112 E CA 1.235 57.710 56.400 0.124 0.000 0.799 112 E CB 0.103 29.878 29.700 0.124 0.000 0.752 112 E HN 0.132 nan 8.360 nan 0.000 0.449 113 K N 0.354 120.797 120.400 0.073 0.000 2.009 113 K HA -0.156 4.202 4.320 0.064 0.000 0.210 113 K C 2.175 178.852 176.600 0.129 0.000 1.049 113 K CA 1.510 57.839 56.287 0.071 0.000 0.929 113 K CB -0.092 32.407 32.500 -0.001 0.000 0.714 113 K HN 0.168 nan 8.250 nan 0.000 0.440 114 I N 1.310 121.939 120.570 0.099 0.000 2.286 114 I HA -0.206 4.003 4.170 0.064 0.000 0.248 114 I C 2.164 178.404 176.117 0.206 0.000 1.115 114 I CA 1.397 62.783 61.300 0.143 0.000 1.392 114 I CB -1.427 36.618 38.000 0.076 0.000 1.065 114 I HN 0.268 nan 8.210 nan 0.000 0.418 115 T N -0.426 114.239 114.554 0.186 0.000 2.708 115 T HA -0.208 4.181 4.350 0.064 0.000 0.266 115 T C 1.970 176.831 174.700 0.270 0.000 1.037 115 T CA 1.336 63.571 62.100 0.226 0.000 1.146 115 T CB -0.407 68.593 68.868 0.219 0.000 0.865 115 T HN 0.341 nan 8.240 nan 0.000 0.435 116 H N 0.014 119.187 119.070 0.173 0.000 2.353 116 H HA -0.059 4.536 4.556 0.065 0.000 0.300 116 H C 2.174 177.577 175.328 0.124 0.000 1.090 116 H CA 1.450 57.585 56.048 0.145 0.000 1.327 116 H CB -0.433 29.390 29.762 0.101 0.000 1.383 116 H HN 0.391 nan 8.280 nan 0.000 0.508 117 F N 2.066 122.096 119.950 0.133 0.000 2.095 117 F HA -0.197 4.369 4.527 0.066 0.000 0.298 117 F C 1.985 177.750 175.800 -0.059 0.000 1.104 117 F CA 1.758 59.782 58.000 0.039 0.000 1.232 117 F CB -0.367 38.642 39.000 0.015 0.000 0.987 117 F HN 0.050 nan 8.300 nan 0.000 0.475 118 D N -1.070 119.239 120.400 -0.151 0.000 2.265 118 D HA -0.158 4.520 4.640 0.064 0.000 0.208 118 D C 1.280 177.212 176.300 -0.612 0.000 0.977 118 D CA 1.271 55.020 54.000 -0.419 0.000 0.871 118 D CB -0.388 40.167 40.800 -0.409 0.000 0.925 118 D HN 0.493 nan 8.370 nan 0.000 0.485 119 H N -0.276 118.676 119.070 -0.197 0.000 2.475 119 H HA 0.218 4.813 4.556 0.065 0.000 0.276 119 H C 1.011 176.184 175.328 -0.258 0.000 1.126 119 H CA -0.091 55.840 56.048 -0.195 0.000 1.023 119 H CB 0.487 30.151 29.762 -0.164 0.000 1.669 119 H HN 0.282 nan 8.280 nan 0.000 0.573 120 E N 0.680 120.727 120.200 -0.255 0.000 2.150 120 E HA -0.057 4.331 4.350 0.064 0.000 0.193 120 E C 0.527 176.976 176.600 -0.252 0.000 0.985 120 E CA 0.598 56.822 56.400 -0.293 0.000 0.814 120 E CB 0.428 29.934 29.700 -0.322 0.000 0.752 120 E HN 0.189 nan 8.360 nan 0.000 0.466 121 R N 1.119 121.529 120.500 -0.149 0.000 2.459 121 R HA 0.393 4.771 4.340 0.064 0.000 0.281 121 R C 0.484 176.824 176.300 0.067 0.000 1.050 121 R CA -0.235 55.848 56.100 -0.028 0.000 1.055 121 R CB 0.738 31.013 30.300 -0.041 0.000 1.045 121 R HN 0.152 nan 8.270 nan 0.000 0.495 122 I N -1.497 119.172 120.570 0.165 0.000 3.002 122 I HA 0.585 4.793 4.170 0.064 0.000 0.310 122 I C -2.366 173.819 176.117 0.113 0.000 1.087 122 I CA -2.989 58.403 61.300 0.153 0.000 1.017 122 I CB 2.019 40.145 38.000 0.211 0.000 1.226 122 I HN 0.236 nan 8.210 nan 0.000 0.443 123 P HA 0.106 nan 4.420 nan 0.000 0.265 123 P C -0.955 176.381 177.300 0.060 0.000 1.193 123 P CA -0.034 63.099 63.100 0.055 0.000 0.765 123 P CB 0.417 32.139 31.700 0.036 0.000 0.823 124 E N 2.710 122.947 120.200 0.062 0.000 2.371 124 E HA 0.197 4.585 4.350 0.064 0.000 0.257 124 E C -0.457 176.174 176.600 0.053 0.000 1.134 124 E CA -0.874 55.568 56.400 0.070 0.000 0.919 124 E CB 0.591 30.337 29.700 0.077 0.000 1.025 124 E HN 0.254 nan 8.360 nan 0.000 0.438 125 R N 0.806 121.342 120.500 0.060 0.000 2.619 125 R HA -0.060 4.318 4.340 0.064 0.000 0.268 125 R C 1.153 177.490 176.300 0.062 0.000 0.990 125 R CA 0.173 56.306 56.100 0.055 0.000 1.092 125 R CB 0.076 30.429 30.300 0.088 0.000 0.935 125 R HN 0.683 nan 8.270 nan 0.000 0.415 126 I N 3.101 123.701 120.570 0.050 0.000 2.226 126 I HA -0.180 4.028 4.170 0.064 0.000 0.245 126 I C 0.421 176.591 176.117 0.089 0.000 1.100 126 I CA 1.308 62.645 61.300 0.062 0.000 1.374 126 I CB 0.393 38.431 38.000 0.064 0.000 1.057 126 I HN 0.391 nan 8.210 nan 0.000 0.413 127 V N -3.098 116.903 119.914 0.145 0.000 3.074 127 V HA 0.472 4.630 4.120 0.064 0.000 0.314 127 V C 0.165 176.432 176.094 0.288 0.000 1.117 127 V CA -0.700 61.718 62.300 0.196 0.000 1.014 127 V CB 1.279 33.298 31.823 0.328 0.000 1.057 127 V HN 0.441 nan 8.190 nan 0.000 0.438 128 H N 0.136 119.275 119.070 0.116 0.000 2.820 128 H HA -0.231 4.363 4.556 0.064 0.000 0.295 128 H C 1.560 176.940 175.328 0.085 0.000 1.187 128 H CA 0.760 56.869 56.048 0.101 0.000 1.144 128 H CB -1.218 28.595 29.762 0.084 0.000 1.354 128 H HN 1.149 nan 8.280 nan 0.000 0.395 129 A N 0.758 123.670 122.820 0.154 0.000 1.972 129 A HA -0.117 4.241 4.320 0.064 0.000 0.219 129 A C 1.723 179.398 177.584 0.151 0.000 1.169 129 A CA 1.309 53.426 52.037 0.132 0.000 0.635 129 A CB -0.076 18.980 19.000 0.094 0.000 0.810 129 A HN 0.246 nan 8.150 nan 0.000 0.446 130 R N 0.289 120.877 120.500 0.146 0.000 2.196 130 R HA 0.511 4.890 4.340 0.064 0.000 0.340 130 R C -0.137 176.287 176.300 0.207 0.000 1.043 130 R CA 0.643 56.846 56.100 0.172 0.000 0.883 130 R CB 0.118 30.505 30.300 0.146 0.000 1.078 130 R HN 0.356 nan 8.270 nan 0.000 0.462 131 G N 0.709 109.656 108.800 0.246 0.000 2.646 131 G HA2 0.507 4.506 3.960 0.064 0.000 0.291 131 G HA3 0.507 4.506 3.960 0.064 0.000 0.291 131 G C -1.626 173.429 174.900 0.258 0.000 1.445 131 G CA -0.579 44.637 45.100 0.194 0.000 0.814 131 G HN 0.461 nan 8.290 nan 0.000 0.495 132 S N -0.972 114.819 115.700 0.152 0.000 2.571 132 S HA 0.866 5.374 4.470 0.064 0.000 0.284 132 S C -0.148 174.447 174.600 -0.008 0.000 1.128 132 S CA -0.134 58.214 58.200 0.247 0.000 0.970 132 S CB 1.665 65.130 63.200 0.440 0.000 1.039 132 S HN 1.543 nan 8.310 nan 0.000 0.485 133 A N 1.772 124.544 122.820 -0.080 0.000 2.469 133 A HA 1.037 5.396 4.320 0.064 0.000 0.299 133 A C -0.843 176.529 177.584 -0.354 0.000 1.098 133 A CA -0.752 51.016 52.037 -0.449 0.000 0.737 133 A CB 1.636 20.178 19.000 -0.763 0.000 1.312 133 A HN 1.323 nan 8.150 nan 0.000 0.414 134 A N 0.474 122.936 122.820 -0.596 0.000 2.606 134 A HA 0.712 5.071 4.320 0.064 0.000 0.293 134 A C -1.021 176.385 177.584 -0.297 0.000 1.082 134 A CA -0.657 51.206 52.037 -0.291 0.000 0.685 134 A CB 0.728 19.643 19.000 -0.142 0.000 1.284 134 A HN 0.882 nan 8.150 nan 0.000 0.408 135 H N -0.310 118.782 119.070 0.036 0.000 2.505 135 H HA 0.676 5.271 4.556 0.064 0.000 0.355 135 H C 0.659 175.976 175.328 -0.017 0.000 1.179 135 H CA 0.921 57.038 56.048 0.116 0.000 1.343 135 H CB 1.792 31.617 29.762 0.105 0.000 1.501 135 H HN 1.157 nan 8.280 nan 0.000 0.569 136 G N 0.424 109.318 108.800 0.156 0.000 2.435 136 G HA2 0.342 4.340 3.960 0.064 0.000 0.296 136 G HA3 0.342 4.340 3.960 0.064 0.000 0.296 136 G C -2.092 172.923 174.900 0.191 0.000 1.240 136 G CA -0.611 44.532 45.100 0.071 0.000 0.872 136 G HN 0.634 nan 8.290 nan 0.000 0.480 137 Y N -1.707 118.632 120.300 0.066 0.000 2.609 137 Y HA 0.842 5.430 4.550 0.064 0.000 0.336 137 Y C -1.747 174.293 175.900 0.233 0.000 1.129 137 Y CA -2.042 56.141 58.100 0.139 0.000 1.040 137 Y CB 1.806 40.318 38.460 0.086 0.000 1.310 137 Y HN 0.923 nan 8.280 nan 0.000 0.460 138 F N 2.833 122.947 119.950 0.273 0.000 2.576 138 F HA 0.700 5.266 4.527 0.066 0.000 0.313 138 F C -1.435 174.566 175.800 0.335 0.000 1.078 138 F CA -0.524 57.639 58.000 0.270 0.000 0.921 138 F CB 2.298 41.584 39.000 0.476 0.000 1.232 138 F HN 0.840 nan 8.300 nan 0.000 0.459 139 Q N 6.187 125.399 119.800 -0.980 0.000 2.352 139 Q HA 0.534 4.912 4.340 0.064 0.000 0.270 139 Q C -3.339 172.014 176.000 -1.079 0.000 1.006 139 Q CA -2.145 53.221 55.803 -0.728 0.000 0.880 139 Q CB 3.054 31.712 28.738 -0.133 0.000 1.392 139 Q HN 0.348 nan 8.270 nan 0.000 0.401 140 P HA 0.086 nan 4.420 nan 0.000 0.277 140 P C -0.394 176.762 177.300 -0.240 0.000 1.240 140 P CA -0.089 62.755 63.100 -0.427 0.000 0.798 140 P CB 0.552 32.173 31.700 -0.131 0.000 0.979 141 Y N 0.936 121.174 120.300 -0.103 0.000 2.263 141 Y HA -0.094 4.495 4.550 0.065 0.000 0.292 141 Y C 1.395 177.268 175.900 -0.045 0.000 1.130 141 Y CA 0.623 58.686 58.100 -0.062 0.000 1.179 141 Y CB 0.102 38.534 38.460 -0.046 0.000 0.998 141 Y HN 0.345 nan 8.280 nan 0.000 0.532 142 K N -1.040 119.424 120.400 0.106 0.000 2.522 142 K HA 0.407 4.765 4.320 0.064 0.000 0.275 142 K C -0.878 175.726 176.600 0.006 0.000 1.006 142 K CA -0.994 55.321 56.287 0.048 0.000 0.890 142 K CB 1.571 34.099 32.500 0.048 0.000 1.475 142 K HN -0.268 nan 8.250 nan 0.000 0.441 143 S N 0.722 116.423 115.700 0.002 0.000 2.546 143 S HA 0.089 4.597 4.470 0.064 0.000 0.290 143 S C 0.457 175.046 174.600 -0.019 0.000 1.290 143 S CA -0.536 57.656 58.200 -0.013 0.000 1.069 143 S CB -0.226 62.970 63.200 -0.006 0.000 0.846 143 S HN 0.556 nan 8.310 nan 0.000 0.495 144 L N 4.855 126.055 121.223 -0.038 0.000 2.791 144 L HA 0.128 4.506 4.340 0.064 0.000 0.239 144 L C 2.067 178.921 176.870 -0.027 0.000 1.203 144 L CA 0.002 54.828 54.840 -0.025 0.000 1.002 144 L CB -0.275 41.773 42.059 -0.019 0.000 1.295 144 L HN 0.844 nan 8.230 nan 0.000 0.504 145 S N -1.703 113.979 115.700 -0.030 0.000 2.440 145 S HA -0.190 4.318 4.470 0.064 0.000 0.238 145 S C 1.273 175.856 174.600 -0.028 0.000 1.010 145 S CA 1.157 59.337 58.200 -0.032 0.000 0.972 145 S CB -0.162 63.024 63.200 -0.024 0.000 0.774 145 S HN 0.385 nan 8.310 nan 0.000 0.501 146 D N 1.882 122.270 120.400 -0.019 0.000 2.219 146 D HA 0.044 4.723 4.640 0.064 0.000 0.205 146 D C 1.766 178.050 176.300 -0.027 0.000 0.970 146 D CA 1.306 55.295 54.000 -0.018 0.000 0.851 146 D CB -0.147 40.648 40.800 -0.008 0.000 0.943 146 D HN 0.809 nan 8.370 nan 0.000 0.488 147 I N -4.264 116.291 120.570 -0.025 0.000 4.323 147 I HA 0.233 4.442 4.170 0.064 0.000 0.328 147 I C 0.322 176.398 176.117 -0.068 0.000 1.310 147 I CA 0.036 61.312 61.300 -0.040 0.000 1.186 147 I CB 1.172 39.169 38.000 -0.005 0.000 1.130 147 I HN -0.245 nan 8.210 nan 0.000 0.411 148 T N 1.646 116.163 114.554 -0.061 0.000 3.041 148 T HA 0.303 4.692 4.350 0.064 0.000 0.321 148 T C 0.003 174.651 174.700 -0.087 0.000 1.184 148 T CA -0.677 61.368 62.100 -0.091 0.000 1.050 148 T CB 1.756 70.563 68.868 -0.102 0.000 1.159 148 T HN 0.431 nan 8.240 nan 0.000 0.469 149 K N 2.653 123.000 120.400 -0.088 0.000 2.458 149 K HA 0.554 4.913 4.320 0.064 0.000 0.194 149 K C 0.769 177.331 176.600 -0.063 0.000 1.024 149 K CA -0.273 55.973 56.287 -0.067 0.000 1.108 149 K CB 0.192 32.658 32.500 -0.057 0.000 0.846 149 K HN 0.508 nan 8.250 nan 0.000 0.518 150 A N 2.100 124.860 122.820 -0.100 0.000 2.548 150 A HA -0.064 4.294 4.320 0.064 0.000 0.247 150 A C 0.539 178.084 177.584 -0.064 0.000 1.067 150 A CA 0.126 52.114 52.037 -0.082 0.000 0.757 150 A CB 0.093 18.975 19.000 -0.197 0.000 0.996 150 A HN 0.468 nan 8.150 nan 0.000 0.504 151 D N 1.979 122.415 120.400 0.059 0.000 2.144 151 D HA -0.212 4.467 4.640 0.064 0.000 0.199 151 D C 1.363 177.733 176.300 0.117 0.000 0.984 151 D CA 2.167 56.216 54.000 0.082 0.000 0.834 151 D CB -0.226 40.644 40.800 0.117 0.000 0.955 151 D HN 0.732 nan 8.370 nan 0.000 0.465 152 F N -0.579 119.388 119.950 0.028 0.000 2.546 152 F HA 0.145 4.711 4.527 0.065 0.000 0.298 152 F C 0.979 176.870 175.800 0.151 0.000 1.120 152 F CA 0.443 58.500 58.000 0.096 0.000 1.456 152 F CB -0.205 38.836 39.000 0.069 0.000 1.088 152 F HN -0.060 nan 8.300 nan 0.000 0.572 153 L N 0.729 121.633 121.223 -0.532 0.000 2.857 153 L HA 0.210 4.589 4.340 0.064 0.000 0.249 153 L C 1.841 178.616 176.870 -0.159 0.000 1.172 153 L CA 0.350 54.950 54.840 -0.399 0.000 0.980 153 L CB -0.037 41.666 42.059 -0.593 0.000 1.299 153 L HN 0.319 nan 8.230 nan 0.000 0.535 154 S N -2.672 112.980 115.700 -0.080 0.000 2.503 154 S HA 0.067 4.575 4.470 0.064 0.000 0.217 154 S C 0.451 175.046 174.600 -0.009 0.000 0.999 154 S CA -0.116 58.061 58.200 -0.039 0.000 0.914 154 S CB 0.280 63.472 63.200 -0.015 0.000 0.782 154 S HN 0.286 nan 8.310 nan 0.000 0.520 155 D N 1.162 121.567 120.400 0.008 0.000 2.616 155 D HA 0.329 5.008 4.640 0.064 0.000 0.238 155 D C -2.413 173.900 176.300 0.022 0.000 1.354 155 D CA -1.873 52.139 54.000 0.021 0.000 0.970 155 D CB 2.255 43.077 40.800 0.035 0.000 1.369 155 D HN -0.110 nan 8.370 nan 0.000 0.585 156 P HA -0.065 nan 4.420 nan 0.000 0.222 156 P C 0.469 177.783 177.300 0.023 0.000 1.147 156 P CA 0.640 63.748 63.100 0.014 0.000 0.790 156 P CB 0.518 32.237 31.700 0.033 0.000 0.780 157 N N -0.369 118.348 118.700 0.030 0.000 2.336 157 N HA 0.038 4.817 4.740 0.064 0.000 0.189 157 N C 0.449 175.984 175.510 0.042 0.000 1.113 157 N CA 0.309 53.379 53.050 0.032 0.000 0.858 157 N CB 0.372 38.875 38.487 0.027 0.000 0.970 157 N HN 0.279 nan 8.380 nan 0.000 0.471 158 K N 1.186 121.621 120.400 0.058 0.000 2.263 158 K HA 0.416 4.775 4.320 0.064 0.000 0.272 158 K C -0.411 176.269 176.600 0.134 0.000 1.033 158 K CA -0.299 56.042 56.287 0.089 0.000 0.884 158 K CB 1.380 33.939 32.500 0.099 0.000 1.107 158 K HN -0.078 nan 8.250 nan 0.000 0.460 159 I N 2.274 122.927 120.570 0.138 0.000 2.385 159 I HA 0.197 4.405 4.170 0.064 0.000 0.294 159 I C -0.066 176.215 176.117 0.272 0.000 0.988 159 I CA -0.426 60.992 61.300 0.196 0.000 1.265 159 I CB 2.020 40.086 38.000 0.110 0.000 1.388 159 I HN 0.466 nan 8.210 nan 0.000 0.480 160 T N 6.760 121.562 114.554 0.413 0.000 2.815 160 T HA 0.349 4.738 4.350 0.064 0.000 0.289 160 T C -2.517 172.447 174.700 0.439 0.000 1.000 160 T CA -1.358 61.013 62.100 0.451 0.000 0.958 160 T CB 1.618 70.869 68.868 0.638 0.000 0.944 160 T HN 0.231 nan 8.240 nan 0.000 0.442 161 P HA 0.228 nan 4.420 nan 0.000 0.268 161 P C -0.603 176.943 177.300 0.411 0.000 1.205 161 P CA -0.384 62.914 63.100 0.330 0.000 0.771 161 P CB 0.503 32.323 31.700 0.200 0.000 0.858 162 V N 0.487 120.579 119.914 0.297 0.000 3.001 162 V HA 0.739 4.897 4.120 0.064 0.000 0.314 162 V C -1.246 175.010 176.094 0.269 0.000 1.099 162 V CA -0.967 61.414 62.300 0.134 0.000 0.989 162 V CB 2.188 33.881 31.823 -0.217 0.000 1.040 162 V HN 0.310 nan 8.190 nan 0.000 0.434 163 F N 2.420 122.359 119.950 -0.018 0.000 2.529 163 F HA 0.854 5.419 4.527 0.063 0.000 0.320 163 F C -0.857 174.834 175.800 -0.181 0.000 1.118 163 F CA -0.859 57.060 58.000 -0.135 0.000 0.915 163 F CB 2.070 41.013 39.000 -0.094 0.000 1.161 163 F HN 0.527 nan 8.300 nan 0.000 0.445 164 V N 6.596 126.022 119.914 -0.813 0.000 2.540 164 V HA 0.558 4.717 4.120 0.064 0.000 0.302 164 V C -0.729 174.670 176.094 -1.159 0.000 1.035 164 V CA -0.828 60.932 62.300 -0.900 0.000 0.873 164 V CB 1.962 33.201 31.823 -0.973 0.000 0.992 164 V HN 0.745 nan 8.190 nan 0.000 0.428 165 R N 3.683 123.507 120.500 -1.126 0.000 2.437 165 R HA 0.634 5.012 4.340 0.064 0.000 0.310 165 R C -1.560 174.107 176.300 -1.055 0.000 0.955 165 R CA -0.422 55.097 56.100 -0.968 0.000 0.851 165 R CB 1.159 31.085 30.300 -0.623 0.000 1.161 165 R HN 0.557 nan 8.270 nan 0.000 0.446 166 F N 1.873 121.391 119.950 -0.720 0.000 2.432 166 F HA 0.508 5.075 4.527 0.065 0.000 0.329 166 F C 0.499 175.943 175.800 -0.593 0.000 1.076 166 F CA -0.263 57.199 58.000 -0.897 0.000 1.018 166 F CB 2.111 40.030 39.000 -1.801 0.000 1.201 166 F HN 0.578 nan 8.300 nan 0.000 0.489 167 S N -0.975 114.651 115.700 -0.124 0.000 2.615 167 S HA 0.654 5.162 4.470 0.064 0.000 0.269 167 S C -0.602 174.138 174.600 0.233 0.000 1.161 167 S CA -0.912 57.361 58.200 0.121 0.000 0.817 167 S CB 1.421 64.745 63.200 0.207 0.000 1.131 167 S HN 0.711 nan 8.310 nan 0.000 0.467 168 T N -1.497 113.184 114.554 0.212 0.000 2.891 168 T HA 0.692 5.080 4.350 0.064 0.000 0.294 168 T C 0.805 175.459 174.700 -0.077 0.000 1.065 168 T CA -0.183 62.003 62.100 0.143 0.000 0.936 168 T CB 0.333 69.290 68.868 0.149 0.000 1.415 168 T HN 0.583 nan 8.240 nan 0.000 0.572 169 V N 0.362 120.198 119.914 -0.130 0.000 2.948 169 V HA 0.072 4.231 4.120 0.064 0.000 0.234 169 V C 2.649 178.667 176.094 -0.127 0.000 1.205 169 V CA 0.525 62.627 62.300 -0.330 0.000 1.234 169 V CB -0.561 31.176 31.823 -0.143 0.000 1.020 169 V HN 0.803 nan 8.190 nan 0.000 0.491 170 Q N 0.919 120.682 119.800 -0.061 0.000 2.089 170 Q HA 0.198 4.577 4.340 0.064 0.000 0.195 170 Q C 1.420 177.398 176.000 -0.036 0.000 0.963 170 Q CA 1.031 56.797 55.803 -0.060 0.000 0.834 170 Q CB -0.281 28.405 28.738 -0.086 0.000 0.906 170 Q HN 0.612 nan 8.270 nan 0.000 0.452 171 G N 0.240 109.031 108.800 -0.015 0.000 2.634 171 G HA2 0.407 4.405 3.960 0.064 0.000 0.255 171 G HA3 0.407 4.405 3.960 0.064 0.000 0.255 171 G C 0.075 174.982 174.900 0.013 0.000 1.205 171 G CA -0.099 44.996 45.100 -0.007 0.000 0.884 171 G HN 0.222 nan 8.290 nan 0.000 0.549 172 G N -1.343 107.461 108.800 0.008 0.000 2.621 172 G HA2 0.479 4.478 3.960 0.064 0.000 0.271 172 G HA3 0.479 4.478 3.960 0.064 0.000 0.271 172 G C 1.302 176.231 174.900 0.049 0.000 1.236 172 G CA 0.430 45.544 45.100 0.024 0.000 0.958 172 G HN 1.064 nan 8.290 nan 0.000 0.512 173 A N -0.785 122.075 122.820 0.067 0.000 2.070 173 A HA 0.133 4.491 4.320 0.064 0.000 0.220 173 A C 2.195 179.816 177.584 0.061 0.000 1.159 173 A CA 1.920 54.014 52.037 0.095 0.000 0.656 173 A CB -0.346 18.730 19.000 0.127 0.000 0.800 173 A HN 1.089 nan 8.150 nan 0.000 0.453 174 G N -0.190 108.628 108.800 0.030 0.000 3.284 174 G HA2 0.329 4.327 3.960 0.064 0.000 0.236 174 G HA3 0.329 4.327 3.960 0.064 0.000 0.236 174 G C 0.690 175.591 174.900 0.002 0.000 1.158 174 G CA 0.640 45.743 45.100 0.005 0.000 0.774 174 G HN 0.641 nan 8.290 nan 0.000 0.545 175 S N -0.232 115.478 115.700 0.016 0.000 2.661 175 S HA 0.746 5.255 4.470 0.064 0.000 0.265 175 S C 0.441 175.054 174.600 0.022 0.000 1.225 175 S CA -0.127 58.079 58.200 0.009 0.000 0.986 175 S CB 1.614 64.820 63.200 0.011 0.000 1.008 175 S HN 0.531 nan 8.310 nan 0.000 0.565 176 A N 0.192 123.020 122.820 0.013 0.000 2.322 176 A HA 0.423 4.782 4.320 0.064 0.000 0.269 176 A C 0.627 178.231 177.584 0.033 0.000 1.094 176 A CA -0.586 51.456 52.037 0.008 0.000 0.807 176 A CB -0.097 18.890 19.000 -0.021 0.000 1.047 176 A HN 0.858 nan 8.150 nan 0.000 0.487 177 D N 0.528 120.937 120.400 0.016 0.000 2.103 177 D HA -0.071 4.608 4.640 0.064 0.000 0.199 177 D C 1.543 177.811 176.300 -0.053 0.000 0.978 177 D CA 2.274 56.290 54.000 0.027 0.000 0.829 177 D CB -0.210 40.569 40.800 -0.036 0.000 0.981 177 D HN 0.672 nan 8.370 nan 0.000 0.464 178 T N -0.246 114.209 114.554 -0.164 0.000 3.284 178 T HA 0.308 4.696 4.350 0.064 0.000 0.249 178 T C 0.804 175.490 174.700 -0.023 0.000 0.944 178 T CA -0.591 61.403 62.100 -0.177 0.000 0.919 178 T CB -0.831 67.861 68.868 -0.293 0.000 1.089 178 T HN -0.073 nan 8.240 nan 0.000 0.576 179 V N -1.175 118.774 119.914 0.058 0.000 3.237 179 V HA 0.389 4.547 4.120 0.064 0.000 0.305 179 V C 0.760 176.989 176.094 0.225 0.000 1.096 179 V CA -1.353 61.032 62.300 0.143 0.000 1.130 179 V CB 0.324 32.218 31.823 0.118 0.000 1.048 179 V HN 0.558 nan 8.190 nan 0.000 0.484 180 R N 2.723 123.409 120.500 0.310 0.000 2.242 180 R HA 0.397 4.775 4.340 0.064 0.000 0.334 180 R C -0.393 175.987 176.300 0.133 0.000 1.071 180 R CA 0.082 56.315 56.100 0.221 0.000 0.922 180 R CB -0.280 30.084 30.300 0.107 0.000 1.023 180 R HN 1.043 nan 8.270 nan 0.000 0.458 181 N N 4.053 122.845 118.700 0.155 0.000 2.745 181 N HA 0.166 4.944 4.740 0.064 0.000 0.256 181 N C -0.807 174.822 175.510 0.197 0.000 1.268 181 N CA -0.821 52.315 53.050 0.144 0.000 0.887 181 N CB 1.203 39.770 38.487 0.133 0.000 1.575 181 N HN 0.281 nan 8.380 nan 0.000 0.496 182 I N 1.749 122.458 120.570 0.232 0.000 2.948 182 I HA 0.035 4.244 4.170 0.064 0.000 0.290 182 I C 0.723 176.985 176.117 0.242 0.000 1.226 182 I CA 0.605 62.046 61.300 0.235 0.000 1.413 182 I CB -0.137 38.030 38.000 0.278 0.000 1.352 182 I HN 0.353 nan 8.210 nan 0.000 0.597 183 R N 2.946 123.608 120.500 0.269 0.000 2.664 183 R HA 0.559 4.937 4.340 0.064 0.000 0.286 183 R C -0.044 176.454 176.300 0.330 0.000 0.967 183 R CA -0.752 55.524 56.100 0.294 0.000 0.933 183 R CB 1.531 32.022 30.300 0.319 0.000 1.146 183 R HN 0.804 nan 8.270 nan 0.000 0.468 184 G N 0.853 109.866 108.800 0.355 0.000 2.420 184 G HA2 0.465 4.463 3.960 0.064 0.000 0.284 184 G HA3 0.465 4.463 3.960 0.064 0.000 0.284 184 G C -1.245 173.742 174.900 0.144 0.000 1.177 184 G CA -0.043 45.238 45.100 0.302 0.000 0.841 184 G HN 0.358 nan 8.290 nan 0.000 0.527 185 F N 1.930 121.790 119.950 -0.150 0.000 3.090 185 F HA 0.622 5.187 4.527 0.063 0.000 0.381 185 F C -0.193 175.318 175.800 -0.482 0.000 1.231 185 F CA -1.793 56.027 58.000 -0.299 0.000 1.177 185 F CB 0.896 39.837 39.000 -0.097 0.000 1.598 185 F HN 0.665 nan 8.300 nan 0.000 0.589 186 A N 3.114 125.667 122.820 -0.446 0.000 2.304 186 A HA 0.793 5.151 4.320 0.064 0.000 0.323 186 A C -0.511 176.626 177.584 -0.746 0.000 1.195 186 A CA -0.411 51.197 52.037 -0.715 0.000 0.826 186 A CB 0.807 19.017 19.000 -1.316 0.000 1.184 186 A HN 0.513 nan 8.150 nan 0.000 0.496 187 T N 2.322 116.599 114.554 -0.462 0.000 2.812 187 T HA 0.410 4.799 4.350 0.064 0.000 0.282 187 T C -0.390 174.111 174.700 -0.332 0.000 0.990 187 T CA -0.483 61.349 62.100 -0.447 0.000 0.960 187 T CB 1.088 69.633 68.868 -0.538 0.000 0.948 187 T HN 0.635 nan 8.240 nan 0.000 0.438 188 K N 3.419 123.687 120.400 -0.220 0.000 2.293 188 K HA 0.486 4.845 4.320 0.064 0.000 0.267 188 K C -1.347 174.911 176.600 -0.571 0.000 1.010 188 K CA -0.607 55.471 56.287 -0.349 0.000 0.875 188 K CB 0.469 32.711 32.500 -0.429 0.000 1.106 188 K HN 0.404 nan 8.250 nan 0.000 0.450 189 F N 4.033 123.684 119.950 -0.499 0.000 2.404 189 F HA 0.260 4.824 4.527 0.062 0.000 0.354 189 F C -0.451 175.123 175.800 -0.376 0.000 1.122 189 F CA -0.621 57.155 58.000 -0.373 0.000 1.080 189 F CB 0.829 39.526 39.000 -0.506 0.000 1.131 189 F HN 0.445 nan 8.300 nan 0.000 0.471 190 Y N 1.906 122.272 120.300 0.109 0.000 2.714 190 Y HA 0.237 4.826 4.550 0.064 0.000 0.333 190 Y C 0.961 176.921 175.900 0.100 0.000 1.220 190 Y CA -0.828 57.314 58.100 0.070 0.000 1.513 190 Y CB -0.045 38.445 38.460 0.050 0.000 1.435 190 Y HN 0.550 nan 8.280 nan 0.000 0.489 191 T N -2.543 112.105 114.554 0.156 0.000 2.881 191 T HA 0.202 4.591 4.350 0.064 0.000 0.278 191 T C 1.001 175.795 174.700 0.157 0.000 0.982 191 T CA -0.712 61.490 62.100 0.170 0.000 0.989 191 T CB 1.125 70.069 68.868 0.128 0.000 1.058 191 T HN 0.621 nan 8.240 nan 0.000 0.529 192 E N -0.085 120.212 120.200 0.161 0.000 2.418 192 E HA -0.040 4.348 4.350 0.064 0.000 0.197 192 E C 1.023 177.690 176.600 0.112 0.000 1.026 192 E CA 0.724 57.201 56.400 0.129 0.000 0.862 192 E CB 0.118 29.890 29.700 0.121 0.000 0.799 192 E HN 0.721 nan 8.360 nan 0.000 0.518 193 E N -0.133 120.135 120.200 0.114 0.000 2.693 193 E HA 0.260 4.648 4.350 0.064 0.000 0.214 193 E C 0.045 176.695 176.600 0.083 0.000 0.990 193 E CA -0.243 56.216 56.400 0.099 0.000 1.047 193 E CB 1.473 31.234 29.700 0.102 0.000 1.039 193 E HN 0.164 nan 8.360 nan 0.000 0.475 194 G N 1.141 109.984 108.800 0.072 0.000 2.334 194 G HA2 -0.059 3.939 3.960 0.064 0.000 0.566 194 G HA3 -0.059 3.939 3.960 0.064 0.000 0.566 194 G C -0.950 173.958 174.900 0.014 0.000 1.413 194 G CA -1.129 43.991 45.100 0.033 0.000 0.993 194 G HN 0.023 nan 8.290 nan 0.000 0.642 195 I N 0.857 121.400 120.570 -0.044 0.000 2.533 195 I HA 0.302 4.511 4.170 0.064 0.000 0.284 195 I C -0.011 176.111 176.117 0.007 0.000 1.109 195 I CA 0.068 61.312 61.300 -0.094 0.000 1.412 195 I CB 0.733 38.611 38.000 -0.202 0.000 1.396 195 I HN 0.431 nan 8.210 nan 0.000 0.543 196 F N 6.905 126.741 119.950 -0.191 0.000 2.426 196 F HA 0.442 5.006 4.527 0.062 0.000 0.348 196 F C -0.546 175.211 175.800 -0.071 0.000 1.124 196 F CA -1.301 56.583 58.000 -0.193 0.000 1.008 196 F CB 0.774 39.473 39.000 -0.501 0.000 1.139 196 F HN 0.341 nan 8.300 nan 0.000 0.452 197 D N 6.922 127.141 120.400 -0.302 0.000 2.280 197 D HA 0.245 4.923 4.640 0.064 0.000 0.236 197 D C -0.639 175.176 176.300 -0.809 0.000 1.082 197 D CA 0.012 53.752 54.000 -0.434 0.000 0.834 197 D CB 2.237 42.980 40.800 -0.096 0.000 1.100 197 D HN 0.631 nan 8.370 nan 0.000 0.486 198 L N 3.291 123.988 121.223 -0.877 0.000 2.272 198 L HA 0.291 4.669 4.340 0.064 0.000 0.284 198 L C -0.994 175.646 176.870 -0.383 0.000 1.045 198 L CA -0.629 53.769 54.840 -0.735 0.000 0.842 198 L CB 0.672 42.330 42.059 -0.669 0.000 1.224 198 L HN 0.050 nan 8.230 nan 0.000 0.430 199 V N 5.384 125.115 119.914 -0.305 0.000 2.259 199 V HA 0.517 4.675 4.120 0.064 0.000 0.267 199 V C 0.776 176.767 176.094 -0.172 0.000 1.051 199 V CA -0.325 61.809 62.300 -0.277 0.000 0.830 199 V CB 0.521 32.138 31.823 -0.343 0.000 1.080 199 V HN 0.821 nan 8.190 nan 0.000 0.467 200 G N 3.184 111.903 108.800 -0.135 0.000 2.932 200 G HA2 0.680 4.678 3.960 0.064 0.000 0.283 200 G HA3 0.680 4.678 3.960 0.064 0.000 0.283 200 G C -0.892 174.033 174.900 0.042 0.000 1.336 200 G CA -0.584 44.490 45.100 -0.043 0.000 1.056 200 G HN 0.475 nan 8.290 nan 0.000 0.522 201 N N -1.136 117.638 118.700 0.122 0.000 3.038 201 N HA 0.255 5.033 4.740 0.064 0.000 0.307 201 N C 0.279 175.971 175.510 0.302 0.000 1.441 201 N CA -0.722 52.464 53.050 0.226 0.000 0.772 201 N CB 1.264 39.881 38.487 0.217 0.000 1.651 201 N HN 0.523 nan 8.380 nan 0.000 0.593 202 N N -1.219 117.676 118.700 0.325 0.000 2.268 202 N HA 0.014 4.793 4.740 0.064 0.000 0.204 202 N C -0.607 175.166 175.510 0.438 0.000 1.124 202 N CA -0.110 53.178 53.050 0.396 0.000 0.838 202 N CB -0.129 38.568 38.487 0.350 0.000 0.994 202 N HN 0.539 nan 8.380 nan 0.000 0.489 203 T N -3.593 111.060 114.554 0.166 0.000 2.906 203 T HA 0.467 4.856 4.350 0.064 0.000 0.295 203 T C -2.681 171.415 174.700 -1.007 0.000 1.075 203 T CA -1.549 60.216 62.100 -0.558 0.000 1.005 203 T CB 2.946 71.360 68.868 -0.756 0.000 1.136 203 T HN -0.232 nan 8.240 nan 0.000 0.498 204 P HA 0.223 nan 4.420 nan 0.000 0.255 204 P C 0.278 177.046 177.300 -0.887 0.000 1.248 204 P CA -0.002 62.156 63.100 -1.570 0.000 0.807 204 P CB -0.056 30.631 31.700 -1.688 0.000 1.150 205 I N -4.290 115.730 120.570 -0.917 0.000 3.174 205 I HA 0.540 4.748 4.170 0.064 0.000 0.313 205 I C -1.259 174.575 176.117 -0.471 0.000 1.155 205 I CA -2.068 58.856 61.300 -0.626 0.000 0.977 205 I CB 1.361 38.962 38.000 -0.665 0.000 1.248 205 I HN -0.259 nan 8.210 nan 0.000 0.453 206 F N 1.008 120.686 119.950 -0.453 0.000 2.518 206 F HA 0.494 5.061 4.527 0.067 0.000 0.338 206 F C 0.529 176.101 175.800 -0.380 0.000 1.065 206 F CA -0.631 57.139 58.000 -0.383 0.000 1.012 206 F CB 1.668 40.573 39.000 -0.159 0.000 1.297 206 F HN 0.399 nan 8.300 nan 0.000 0.489 207 F N 1.917 121.119 119.950 -1.246 0.000 2.367 207 F HA 0.076 4.641 4.527 0.063 0.000 0.298 207 F C 0.569 176.110 175.800 -0.432 0.000 1.094 207 F CA 0.626 58.095 58.000 -0.885 0.000 1.409 207 F CB -0.097 37.985 39.000 -1.530 0.000 1.064 207 F HN 0.126 nan 8.300 nan 0.000 0.528 208 I N -3.664 116.916 120.570 0.016 0.000 3.042 208 I HA 0.389 4.598 4.170 0.064 0.000 0.310 208 I C 0.373 176.646 176.117 0.260 0.000 1.117 208 I CA -0.830 60.577 61.300 0.178 0.000 1.003 208 I CB 1.863 40.020 38.000 0.262 0.000 1.228 208 I HN -0.204 nan 8.210 nan 0.000 0.443 209 Q N 0.143 120.094 119.800 0.253 0.000 2.324 209 Q HA 0.157 4.535 4.340 0.064 0.000 0.207 209 Q C -0.359 175.808 176.000 0.277 0.000 0.928 209 Q CA 0.599 56.587 55.803 0.308 0.000 0.890 209 Q CB 0.570 29.548 28.738 0.401 0.000 1.001 209 Q HN 0.648 nan 8.270 nan 0.000 0.517 210 D N -1.106 119.429 120.400 0.225 0.000 2.502 210 D HA 0.295 4.973 4.640 0.064 0.000 0.249 210 D C 0.099 176.517 176.300 0.197 0.000 1.092 210 D CA -0.162 53.937 54.000 0.166 0.000 0.839 210 D CB 1.829 42.701 40.800 0.120 0.000 1.264 210 D HN 0.069 nan 8.370 nan 0.000 0.511 211 A N 3.510 126.414 122.820 0.140 0.000 1.997 211 A HA -0.274 4.085 4.320 0.064 0.000 0.221 211 A C 1.820 179.518 177.584 0.189 0.000 1.172 211 A CA 1.962 54.074 52.037 0.124 0.000 0.645 211 A CB -0.847 18.174 19.000 0.035 0.000 0.813 211 A HN 0.838 nan 8.150 nan 0.000 0.454 212 H N -0.062 119.064 119.070 0.093 0.000 2.422 212 H HA -0.052 4.541 4.556 0.062 0.000 0.298 212 H C 1.669 177.077 175.328 0.132 0.000 1.098 212 H CA 1.988 58.088 56.048 0.087 0.000 1.315 212 H CB 0.047 29.836 29.762 0.045 0.000 1.382 212 H HN 0.427 nan 8.280 nan 0.000 0.523 213 K N -0.578 119.958 120.400 0.227 0.000 2.487 213 K HA -0.061 4.298 4.320 0.064 0.000 0.192 213 K C 1.559 178.306 176.600 0.245 0.000 1.027 213 K CA 0.155 56.578 56.287 0.227 0.000 1.054 213 K CB -0.006 32.680 32.500 0.310 0.000 0.824 213 K HN 0.308 nan 8.250 nan 0.000 0.510 214 F N 2.871 122.879 119.950 0.095 0.000 2.095 214 F HA -0.169 4.396 4.527 0.064 0.000 0.298 214 F C -0.984 174.828 175.800 0.018 0.000 1.104 214 F CA 1.459 59.535 58.000 0.127 0.000 1.232 214 F CB -0.515 38.546 39.000 0.101 0.000 0.987 214 F HN 0.023 nan 8.300 nan 0.000 0.475 215 P HA -0.142 nan 4.420 nan 0.000 0.218 215 P C 1.018 178.019 177.300 -0.499 0.000 1.149 215 P CA 1.768 64.641 63.100 -0.378 0.000 0.817 215 P CB -0.075 31.423 31.700 -0.336 0.000 0.785 216 D N -1.176 119.078 120.400 -0.243 0.000 2.084 216 D HA -0.174 4.504 4.640 0.064 0.000 0.194 216 D C 1.818 177.846 176.300 -0.453 0.000 0.990 216 D CA 1.105 55.002 54.000 -0.171 0.000 0.826 216 D CB -0.891 39.987 40.800 0.129 0.000 0.971 216 D HN 0.156 nan 8.370 nan 0.000 0.453 217 F N 1.858 121.399 119.950 -0.680 0.000 2.069 217 F HA -0.242 4.322 4.527 0.062 0.000 0.298 217 F C 2.303 177.713 175.800 -0.650 0.000 1.113 217 F CA 1.227 58.620 58.000 -1.012 0.000 1.214 217 F CB -0.207 38.442 39.000 -0.586 0.000 0.978 217 F HN -0.242 nan 8.300 nan 0.000 0.474 218 V N 0.242 119.756 119.914 -0.667 0.000 2.343 218 V HA -0.337 3.821 4.120 0.064 0.000 0.247 218 V C 2.264 178.150 176.094 -0.347 0.000 1.051 218 V CA 2.448 64.393 62.300 -0.593 0.000 1.036 218 V CB -1.077 30.397 31.823 -0.581 0.000 0.654 218 V HN 0.475 nan 8.190 nan 0.000 0.451 219 H N -0.184 118.670 119.070 -0.360 0.000 2.387 219 H HA -0.130 4.465 4.556 0.064 0.000 0.299 219 H C 2.335 177.524 175.328 -0.231 0.000 1.090 219 H CA 1.030 56.942 56.048 -0.227 0.000 1.332 219 H CB 0.009 29.689 29.762 -0.136 0.000 1.386 219 H HN 0.486 nan 8.280 nan 0.000 0.516 220 A N 0.439 123.107 122.820 -0.254 0.000 1.933 220 A HA -0.118 4.240 4.320 0.064 0.000 0.218 220 A C 2.501 179.952 177.584 -0.222 0.000 1.175 220 A CA 1.449 53.331 52.037 -0.257 0.000 0.628 220 A CB -0.689 18.040 19.000 -0.451 0.000 0.814 220 A HN 0.304 nan 8.150 nan 0.000 0.444 221 V N -0.192 119.463 119.914 -0.431 0.000 2.788 221 V HA 0.003 4.161 4.120 0.064 0.000 0.251 221 V C 0.889 176.939 176.094 -0.073 0.000 1.068 221 V CA 0.718 62.823 62.300 -0.324 0.000 1.090 221 V CB -0.446 30.970 31.823 -0.678 0.000 0.710 221 V HN 0.348 nan 8.190 nan 0.000 0.467 222 K N 1.073 121.404 120.400 -0.115 0.000 2.187 222 K HA 0.198 4.556 4.320 0.064 0.000 0.247 222 K C -2.263 174.291 176.600 -0.077 0.000 1.019 222 K CA -1.506 54.731 56.287 -0.084 0.000 0.893 222 K CB -0.496 31.952 32.500 -0.087 0.000 1.025 222 K HN 0.160 nan 8.250 nan 0.000 0.500 223 P HA -0.035 nan 4.420 nan 0.000 0.265 223 P C -0.529 176.712 177.300 -0.099 0.000 1.187 223 P CA 0.467 63.436 63.100 -0.218 0.000 0.766 223 P CB 0.346 31.929 31.700 -0.194 0.000 0.820 224 E N 5.033 125.218 120.200 -0.026 0.000 2.392 224 E HA 0.005 4.393 4.350 0.064 0.000 0.264 224 E C -1.256 175.419 176.600 0.124 0.000 1.024 224 E CA -1.324 55.169 56.400 0.156 0.000 0.903 224 E CB 0.157 30.076 29.700 0.365 0.000 0.963 224 E HN 0.421 nan 8.360 nan 0.000 0.432 225 P HA -0.201 nan 4.420 nan 0.000 0.223 225 P C 0.991 178.359 177.300 0.114 0.000 1.151 225 P CA 1.349 64.487 63.100 0.063 0.000 0.787 225 P CB 0.043 31.753 31.700 0.017 0.000 0.788 226 H N -0.643 118.461 119.070 0.057 0.000 2.299 226 H HA -0.085 4.509 4.556 0.064 0.000 0.302 226 H C 1.502 176.922 175.328 0.154 0.000 1.078 226 H CA 1.509 57.580 56.048 0.038 0.000 1.323 226 H CB -1.379 28.340 29.762 -0.072 0.000 1.381 226 H HN 0.296 nan 8.280 nan 0.000 0.498 227 W N 0.214 121.139 121.300 -0.624 0.000 2.870 227 W HA 0.689 5.387 4.660 0.063 0.000 0.358 227 W C 0.432 176.785 176.519 -0.277 0.000 1.043 227 W CA -1.087 56.021 57.345 -0.395 0.000 1.692 227 W CB -0.769 28.441 29.460 -0.417 0.000 1.100 227 W HN 0.451 nan 8.180 nan 0.000 0.557 228 A N 1.447 124.241 122.820 -0.042 0.000 2.519 228 A HA -0.131 4.227 4.320 0.064 0.000 0.297 228 A C -0.425 176.937 177.584 -0.370 0.000 1.472 228 A CA 1.445 53.384 52.037 -0.163 0.000 0.739 228 A CB -2.382 16.550 19.000 -0.113 0.000 1.096 228 A HN 0.476 nan 8.150 nan 0.000 0.414 229 I N 0.670 120.884 120.570 -0.592 0.000 2.686 229 I HA 0.534 4.742 4.170 0.064 0.000 0.295 229 I C -2.503 173.295 176.117 -0.531 0.000 1.114 229 I CA -2.325 58.505 61.300 -0.784 0.000 1.038 229 I CB 3.010 39.998 38.000 -1.687 0.000 1.238 229 I HN 0.227 nan 8.210 nan 0.000 0.420 230 P HA 0.300 nan 4.420 nan 0.000 0.289 230 P C -1.518 175.620 177.300 -0.270 0.000 1.293 230 P CA -0.838 62.040 63.100 -0.371 0.000 0.897 230 P CB 1.465 33.028 31.700 -0.229 0.000 1.166 231 Q N 0.703 120.389 119.800 -0.191 0.000 2.288 231 Q HA 0.465 4.843 4.340 0.064 0.000 0.258 231 Q C 1.142 177.100 176.000 -0.069 0.000 0.957 231 Q CA 1.159 56.887 55.803 -0.125 0.000 0.919 231 Q CB -0.469 28.207 28.738 -0.104 0.000 1.185 231 Q HN 0.828 nan 8.270 nan 0.000 0.408 232 G N 3.203 111.971 108.800 -0.054 0.000 2.153 232 G HA2 -0.290 3.708 3.960 0.064 0.000 0.252 232 G HA3 -0.290 3.708 3.960 0.064 0.000 0.252 232 G C -0.343 174.565 174.900 0.013 0.000 0.994 232 G CA 0.478 45.571 45.100 -0.012 0.000 0.698 232 G HN 0.553 nan 8.290 nan 0.000 0.521 233 Q N -0.842 118.956 119.800 -0.005 0.000 2.331 233 Q HA 0.571 4.950 4.340 0.064 0.000 0.272 233 Q C 0.835 176.848 176.000 0.021 0.000 1.062 233 Q CA -0.118 55.712 55.803 0.045 0.000 0.806 233 Q CB 1.832 30.640 28.738 0.117 0.000 1.312 233 Q HN 0.417 nan 8.270 nan 0.000 0.431 234 S N -0.422 115.193 115.700 -0.143 0.000 2.575 234 S HA 0.170 4.678 4.470 0.064 0.000 0.215 234 S C 0.935 175.475 174.600 -0.099 0.000 0.966 234 S CA -0.011 57.866 58.200 -0.538 0.000 0.911 234 S CB 0.305 62.643 63.200 -1.436 0.000 0.780 234 S HN 0.594 nan 8.310 nan 0.000 0.514 235 A N 2.374 125.337 122.820 0.239 0.000 3.048 235 A HA 0.512 4.870 4.320 0.064 0.000 0.264 235 A C 0.119 177.945 177.584 0.403 0.000 1.796 235 A CA -0.571 51.692 52.037 0.377 0.000 1.445 235 A CB -1.261 17.898 19.000 0.264 0.000 1.074 235 A HN 0.890 nan 8.150 nan 0.000 0.621 236 H N -3.586 115.679 119.070 0.326 0.000 3.014 236 H HA 0.498 5.092 4.556 0.064 0.000 0.337 236 H C -0.274 175.246 175.328 0.321 0.000 1.320 236 H CA -0.774 55.428 56.048 0.258 0.000 1.128 236 H CB 0.299 30.174 29.762 0.189 0.000 1.862 236 H HN 0.065 nan 8.280 nan 0.000 0.536 237 D N 0.246 120.817 120.400 0.286 0.000 2.116 237 D HA -0.207 4.472 4.640 0.064 0.000 0.193 237 D C 2.141 178.504 176.300 0.105 0.000 0.998 237 D CA 3.101 57.205 54.000 0.174 0.000 0.836 237 D CB -0.406 40.471 40.800 0.129 0.000 0.951 237 D HN 0.784 nan 8.370 nan 0.000 0.449 238 T N -1.493 113.122 114.554 0.101 0.000 2.759 238 T HA -0.225 4.163 4.350 0.064 0.000 0.269 238 T C 1.920 176.572 174.700 -0.080 0.000 1.042 238 T CA 0.825 62.953 62.100 0.047 0.000 1.140 238 T CB -0.751 68.198 68.868 0.135 0.000 0.864 238 T HN 0.168 nan 8.240 nan 0.000 0.455 239 F N 0.605 120.257 119.950 -0.496 0.000 2.113 239 F HA 0.109 4.674 4.527 0.063 0.000 0.297 239 F C 1.857 177.398 175.800 -0.431 0.000 1.103 239 F CA 0.655 58.293 58.000 -0.603 0.000 1.248 239 F CB -0.521 37.925 39.000 -0.924 0.000 0.999 239 F HN 0.146 nan 8.300 nan 0.000 0.475 240 W N 0.568 121.818 121.300 -0.083 0.000 2.467 240 W HA -0.061 4.639 4.660 0.066 0.000 0.275 240 W C 2.274 178.726 176.519 -0.113 0.000 1.239 240 W CA 0.970 58.252 57.345 -0.105 0.000 1.266 240 W CB -0.590 28.892 29.460 0.036 0.000 1.112 240 W HN 0.061 nan 8.180 nan 0.000 0.576 241 D N -0.464 119.984 120.400 0.080 0.000 2.087 241 D HA -0.309 4.370 4.640 0.064 0.000 0.192 241 D C 1.895 178.199 176.300 0.008 0.000 0.993 241 D CA 1.629 55.659 54.000 0.051 0.000 0.828 241 D CB -0.617 40.221 40.800 0.064 0.000 0.968 241 D HN 0.184 nan 8.370 nan 0.000 0.448 242 Y N 0.391 120.592 120.300 -0.166 0.000 2.128 242 Y HA -0.234 4.354 4.550 0.064 0.000 0.284 242 Y C 2.329 178.099 175.900 -0.216 0.000 1.154 242 Y CA 1.659 59.647 58.100 -0.186 0.000 1.149 242 Y CB -0.461 37.846 38.460 -0.255 0.000 0.976 242 Y HN -0.096 nan 8.280 nan 0.000 0.505 243 V N 0.078 119.873 119.914 -0.199 0.000 2.287 243 V HA -0.362 3.796 4.120 0.064 0.000 0.248 243 V C 2.587 178.624 176.094 -0.095 0.000 1.053 243 V CA 2.334 64.506 62.300 -0.214 0.000 1.027 243 V CB -1.177 30.403 31.823 -0.404 0.000 0.646 243 V HN 0.682 nan 8.190 nan 0.000 0.447 244 S N -0.411 115.277 115.700 -0.020 0.000 2.447 244 S HA -0.047 4.462 4.470 0.064 0.000 0.233 244 S C 1.687 176.257 174.600 -0.051 0.000 1.006 244 S CA 1.298 59.511 58.200 0.021 0.000 0.957 244 S CB -0.430 62.815 63.200 0.075 0.000 0.773 244 S HN 0.557 nan 8.310 nan 0.000 0.507 245 L N -0.030 121.114 121.223 -0.132 0.000 2.585 245 L HA 0.323 4.702 4.340 0.064 0.000 0.226 245 L C 0.643 177.342 176.870 -0.285 0.000 1.113 245 L CA 0.144 54.879 54.840 -0.176 0.000 0.876 245 L CB 0.035 41.992 42.059 -0.169 0.000 1.072 245 L HN 0.239 nan 8.230 nan 0.000 0.468 246 Q N 0.300 119.889 119.800 -0.353 0.000 3.244 246 Q HA 0.228 4.606 4.340 0.064 0.000 0.249 246 Q C -1.924 173.857 176.000 -0.365 0.000 0.951 246 Q CA -1.417 54.135 55.803 -0.419 0.000 0.740 246 Q CB 1.400 29.770 28.738 -0.613 0.000 1.334 246 Q HN 0.010 nan 8.270 nan 0.000 0.448 247 P HA -0.221 nan 4.420 nan 0.000 0.223 247 P C 1.015 178.021 177.300 -0.490 0.000 1.144 247 P CA 1.093 63.950 63.100 -0.405 0.000 0.783 247 P CB 0.225 31.658 31.700 -0.444 0.000 0.771 248 E N 0.764 120.548 120.200 -0.693 0.000 2.267 248 E HA -0.179 4.210 4.350 0.064 0.000 0.197 248 E C 1.395 177.959 176.600 -0.059 0.000 0.998 248 E CA 1.828 58.077 56.400 -0.253 0.000 0.830 248 E CB -1.181 28.449 29.700 -0.116 0.000 0.751 248 E HN 0.291 nan 8.360 nan 0.000 0.491 249 T N -0.811 113.709 114.554 -0.057 0.000 3.085 249 T HA 0.034 4.423 4.350 0.064 0.000 0.263 249 T C 1.938 176.712 174.700 0.123 0.000 1.127 249 T CA 0.369 62.502 62.100 0.055 0.000 1.103 249 T CB -0.276 68.649 68.868 0.095 0.000 0.921 249 T HN 0.149 nan 8.240 nan 0.000 0.510 250 L N -0.031 121.267 121.223 0.126 0.000 2.141 250 L HA -0.037 4.342 4.340 0.064 0.000 0.209 250 L C 2.830 179.878 176.870 0.298 0.000 1.094 250 L CA 1.604 56.590 54.840 0.244 0.000 0.763 250 L CB -0.751 41.464 42.059 0.259 0.000 0.908 250 L HN 0.467 nan 8.230 nan 0.000 0.437 251 H N 0.140 119.272 119.070 0.103 0.000 2.270 251 H HA -0.210 4.385 4.556 0.064 0.000 0.299 251 H C 2.156 177.507 175.328 0.038 0.000 1.077 251 H CA 1.832 57.941 56.048 0.102 0.000 1.294 251 H CB 0.204 29.991 29.762 0.043 0.000 1.371 251 H HN 0.350 nan 8.280 nan 0.000 0.491 252 N N -0.125 118.430 118.700 -0.242 0.000 2.289 252 N HA -0.131 4.647 4.740 0.064 0.000 0.184 252 N C 1.908 177.272 175.510 -0.243 0.000 1.016 252 N CA 0.733 53.425 53.050 -0.596 0.000 0.872 252 N CB 0.254 37.925 38.487 -1.359 0.000 0.973 252 N HN 0.131 nan 8.380 nan 0.000 0.433 253 V N 1.457 121.439 119.914 0.115 0.000 2.427 253 V HA -0.218 3.940 4.120 0.064 0.000 0.248 253 V C 2.461 178.688 176.094 0.222 0.000 1.051 253 V CA 1.127 63.630 62.300 0.337 0.000 1.048 253 V CB -0.315 31.759 31.823 0.419 0.000 0.666 253 V HN 0.391 nan 8.190 nan 0.000 0.456 254 M N -1.496 118.266 119.600 0.271 0.000 2.080 254 M HA -0.214 4.304 4.480 0.064 0.000 0.260 254 M C 2.079 178.349 176.300 -0.049 0.000 1.068 254 M CA 1.943 57.392 55.300 0.248 0.000 1.109 254 M CB -1.219 31.562 32.600 0.303 0.000 1.342 254 M HN 0.465 nan 8.290 nan 0.000 0.405 255 W N 0.458 121.470 121.300 -0.480 0.000 2.335 255 W HA -0.122 4.577 4.660 0.066 0.000 0.311 255 W C 2.793 179.228 176.519 -0.140 0.000 1.213 255 W CA 1.956 58.990 57.345 -0.518 0.000 1.274 255 W CB -1.093 28.008 29.460 -0.598 0.000 1.148 255 W HN 0.306 nan 8.180 nan 0.000 0.498 256 A N -0.549 122.342 122.820 0.119 0.000 1.940 256 A HA -0.210 4.148 4.320 0.064 0.000 0.219 256 A C 1.938 179.569 177.584 0.078 0.000 1.176 256 A CA 1.912 54.029 52.037 0.133 0.000 0.631 256 A CB -0.628 18.494 19.000 0.204 0.000 0.814 256 A HN 0.128 nan 8.150 nan 0.000 0.446 257 M N 0.576 120.174 119.600 -0.002 0.000 2.492 257 M HA 0.020 4.539 4.480 0.064 0.000 0.262 257 M C 1.477 177.807 176.300 0.051 0.000 1.090 257 M CA 0.849 56.086 55.300 -0.105 0.000 1.110 257 M CB -1.395 30.881 32.600 -0.541 0.000 1.407 257 M HN 0.558 nan 8.290 nan 0.000 0.470 258 S N 0.255 116.047 115.700 0.154 0.000 2.641 258 S HA 0.103 4.611 4.470 0.064 0.000 0.261 258 S C 0.746 175.476 174.600 0.217 0.000 1.257 258 S CA -0.449 57.889 58.200 0.229 0.000 0.983 258 S CB 0.966 64.360 63.200 0.324 0.000 0.990 258 S HN 0.180 nan 8.310 nan 0.000 0.572 259 D N 0.180 120.727 120.400 0.245 0.000 2.378 259 D HA 0.020 4.698 4.640 0.064 0.000 0.222 259 D C 1.854 178.299 176.300 0.241 0.000 0.980 259 D CA 0.338 54.503 54.000 0.275 0.000 0.907 259 D CB -0.172 40.860 40.800 0.387 0.000 0.899 259 D HN 0.373 nan 8.370 nan 0.000 0.527 260 R N 0.274 120.912 120.500 0.229 0.000 2.159 260 R HA -0.059 4.319 4.340 0.064 0.000 0.237 260 R C 2.054 178.509 176.300 0.259 0.000 1.131 260 R CA 0.972 57.231 56.100 0.265 0.000 0.982 260 R CB -0.801 29.721 30.300 0.370 0.000 0.868 260 R HN 0.188 nan 8.270 nan 0.000 0.453 261 G N 1.176 110.115 108.800 0.233 0.000 2.744 261 G HA2 -0.010 3.988 3.960 0.064 0.000 0.211 261 G HA3 -0.010 3.988 3.960 0.064 0.000 0.211 261 G C 0.984 176.024 174.900 0.233 0.000 1.143 261 G CA 0.088 45.317 45.100 0.215 0.000 0.788 261 G HN 0.410 nan 8.290 nan 0.000 0.534 262 I N -2.067 118.650 120.570 0.246 0.000 2.867 262 I HA 0.353 4.562 4.170 0.064 0.000 0.282 262 I C -2.895 173.376 176.117 0.255 0.000 1.437 262 I CA -2.562 58.891 61.300 0.254 0.000 0.918 262 I CB 1.844 39.995 38.000 0.252 0.000 1.612 262 I HN -0.253 nan 8.210 nan 0.000 0.592 263 P HA 0.111 nan 4.420 nan 0.000 0.272 263 P C 0.482 177.917 177.300 0.224 0.000 1.223 263 P CA -0.208 62.999 63.100 0.178 0.000 0.784 263 P CB 1.458 33.206 31.700 0.080 0.000 0.923 264 R N 1.744 122.353 120.500 0.182 0.000 2.092 264 R HA 0.007 4.386 4.340 0.064 0.000 0.231 264 R C 0.489 176.913 176.300 0.206 0.000 1.119 264 R CA 1.511 57.763 56.100 0.252 0.000 0.970 264 R CB -0.466 29.950 30.300 0.193 0.000 0.864 264 R HN 0.586 nan 8.270 nan 0.000 0.440 265 S N -2.833 112.779 115.700 -0.147 0.000 2.565 265 S HA 0.200 4.708 4.470 0.064 0.000 0.274 265 S C -0.281 173.995 174.600 -0.540 0.000 1.144 265 S CA -0.870 57.078 58.200 -0.419 0.000 0.849 265 S CB 0.059 63.161 63.200 -0.165 0.000 1.103 265 S HN 0.109 nan 8.310 nan 0.000 0.455 266 Y N 2.336 122.260 120.300 -0.626 0.000 2.333 266 Y HA 0.031 4.620 4.550 0.065 0.000 0.290 266 Y C 2.398 177.938 175.900 -0.600 0.000 1.144 266 Y CA 1.292 58.891 58.100 -0.834 0.000 1.228 266 Y CB -0.378 37.188 38.460 -1.490 0.000 0.985 266 Y HN 0.588 nan 8.280 nan 0.000 0.542 267 R N -0.503 119.854 120.500 -0.238 0.000 2.237 267 R HA -0.063 4.316 4.340 0.064 0.000 0.219 267 R C 1.090 177.314 176.300 -0.126 0.000 1.080 267 R CA 1.561 57.562 56.100 -0.165 0.000 0.995 267 R CB -0.465 29.747 30.300 -0.147 0.000 0.875 267 R HN 0.365 nan 8.270 nan 0.000 0.462 268 T N -2.170 112.334 114.554 -0.082 0.000 3.331 268 T HA 0.334 4.723 4.350 0.064 0.000 0.282 268 T C 0.215 174.934 174.700 0.033 0.000 1.010 268 T CA -0.680 61.403 62.100 -0.028 0.000 0.928 268 T CB -0.048 68.794 68.868 -0.042 0.000 1.154 268 T HN 0.068 nan 8.240 nan 0.000 0.516 269 M N -1.017 118.639 119.600 0.093 0.000 2.690 269 M HA 0.742 5.261 4.480 0.064 0.000 0.302 269 M C -0.996 175.469 176.300 0.274 0.000 1.234 269 M CA -0.911 54.493 55.300 0.173 0.000 0.853 269 M CB 2.035 34.737 32.600 0.170 0.000 1.748 269 M HN -0.156 nan 8.290 nan 0.000 0.469 270 E N 0.295 120.651 120.200 0.260 0.000 2.314 270 E HA 0.647 5.035 4.350 0.064 0.000 0.262 270 E C -0.307 176.344 176.600 0.085 0.000 1.093 270 E CA -0.530 55.955 56.400 0.142 0.000 0.908 270 E CB 1.644 31.348 29.700 0.006 0.000 1.091 270 E HN 0.855 nan 8.360 nan 0.000 0.425 271 G N 0.593 109.272 108.800 -0.203 0.000 2.533 271 G HA2 0.660 4.659 3.960 0.064 0.000 0.304 271 G HA3 0.660 4.659 3.960 0.064 0.000 0.304 271 G C -1.482 172.964 174.900 -0.756 0.000 1.263 271 G CA -0.477 44.478 45.100 -0.242 0.000 0.964 271 G HN 0.301 nan 8.290 nan 0.000 0.479 272 F N -0.855 119.036 119.950 -0.099 0.000 2.628 272 F HA 0.476 5.041 4.527 0.063 0.000 0.309 272 F C 0.983 176.690 175.800 -0.154 0.000 1.108 272 F CA -0.498 57.365 58.000 -0.228 0.000 0.971 272 F CB 2.340 41.157 39.000 -0.306 0.000 1.279 272 F HN 0.635 nan 8.300 nan 0.000 0.441 273 G N 0.951 109.811 108.800 0.099 0.000 2.712 273 G HA2 0.138 4.137 3.960 0.064 0.000 0.212 273 G HA3 0.138 4.137 3.960 0.064 0.000 0.212 273 G C 1.230 176.176 174.900 0.077 0.000 1.142 273 G CA 0.826 46.033 45.100 0.177 0.000 0.789 273 G HN 0.800 nan 8.290 nan 0.000 0.535 274 I N -0.990 119.553 120.570 -0.045 0.000 4.497 274 I HA -0.326 3.882 4.170 0.064 0.000 0.059 274 I C 0.520 176.507 176.117 -0.215 0.000 0.607 274 I CA 1.577 62.731 61.300 -0.243 0.000 0.958 274 I CB -1.209 36.557 38.000 -0.391 0.000 0.864 274 I HN 0.274 nan 8.210 nan 0.000 0.166 275 H N 2.228 121.318 119.070 0.033 0.000 2.615 275 H HA 0.245 4.840 4.556 0.065 0.000 0.363 275 H C 0.166 175.441 175.328 -0.088 0.000 1.148 275 H CA 0.339 56.316 56.048 -0.119 0.000 1.401 275 H CB 0.366 29.899 29.762 -0.382 0.000 1.461 275 H HN 0.162 nan 8.280 nan 0.000 0.588 276 T N 3.914 118.442 114.554 -0.042 0.000 2.834 276 T HA 0.184 4.572 4.350 0.064 0.000 0.298 276 T C 0.294 174.926 174.700 -0.114 0.000 0.966 276 T CA 0.243 62.302 62.100 -0.069 0.000 1.141 276 T CB -0.265 68.504 68.868 -0.165 0.000 0.905 276 T HN 0.246 nan 8.240 nan 0.000 0.535 277 F N 1.258 121.154 119.950 -0.089 0.000 2.611 277 F HA 0.651 5.215 4.527 0.062 0.000 0.374 277 F C 1.039 176.793 175.800 -0.076 0.000 1.110 277 F CA -1.381 56.593 58.000 -0.043 0.000 1.090 277 F CB 1.435 40.383 39.000 -0.086 0.000 1.388 277 F HN 0.197 nan 8.300 nan 0.000 0.501 278 R N 0.533 121.094 120.500 0.102 0.000 2.803 278 R HA 0.672 5.051 4.340 0.064 0.000 0.276 278 R C -1.613 174.577 176.300 -0.183 0.000 0.978 278 R CA -0.920 55.107 56.100 -0.121 0.000 0.939 278 R CB 1.954 32.118 30.300 -0.226 0.000 1.179 278 R HN 0.428 nan 8.270 nan 0.000 0.472 279 L N 3.312 124.374 121.223 -0.267 0.000 2.317 279 L HA 0.555 4.933 4.340 0.064 0.000 0.281 279 L C -0.534 176.178 176.870 -0.264 0.000 1.024 279 L CA -0.928 53.763 54.840 -0.250 0.000 0.810 279 L CB 1.454 43.367 42.059 -0.244 0.000 1.240 279 L HN 0.373 nan 8.230 nan 0.000 0.427 280 I N 2.827 123.267 120.570 -0.218 0.000 2.447 280 I HA 0.278 4.486 4.170 0.064 0.000 0.287 280 I C -0.330 175.699 176.117 -0.146 0.000 1.023 280 I CA -0.651 60.524 61.300 -0.209 0.000 1.083 280 I CB 1.534 39.418 38.000 -0.193 0.000 1.245 280 I HN 0.634 nan 8.210 nan 0.000 0.434 281 N N 4.861 123.486 118.700 -0.124 0.000 2.448 281 N HA 0.378 5.157 4.740 0.064 0.000 0.274 281 N C 0.782 176.251 175.510 -0.068 0.000 1.239 281 N CA -0.393 52.605 53.050 -0.087 0.000 0.982 281 N CB 0.731 39.174 38.487 -0.073 0.000 1.199 281 N HN 0.532 nan 8.380 nan 0.000 0.576 282 A N -0.612 122.177 122.820 -0.051 0.000 2.067 282 A HA -0.087 4.272 4.320 0.064 0.000 0.219 282 A C 1.596 179.160 177.584 -0.034 0.000 1.158 282 A CA 1.219 53.231 52.037 -0.041 0.000 0.661 282 A CB -0.776 18.207 19.000 -0.030 0.000 0.801 282 A HN 0.791 nan 8.150 nan 0.000 0.452 283 E N -1.656 118.525 120.200 -0.033 0.000 2.502 283 E HA 0.278 4.666 4.350 0.064 0.000 0.194 283 E C 1.210 177.799 176.600 -0.017 0.000 1.062 283 E CA 0.730 57.115 56.400 -0.023 0.000 0.867 283 E CB 0.007 29.695 29.700 -0.021 0.000 0.888 283 E HN 0.697 nan 8.360 nan 0.000 0.510 284 G N 1.230 110.016 108.800 -0.023 0.000 2.175 284 G HA2 -0.338 3.660 3.960 0.064 0.000 0.244 284 G HA3 -0.338 3.660 3.960 0.064 0.000 0.244 284 G C 0.290 175.203 174.900 0.021 0.000 0.982 284 G CA 0.213 45.319 45.100 0.010 0.000 0.641 284 G HN 0.252 nan 8.290 nan 0.000 0.527 285 K N 1.058 121.432 120.400 -0.044 0.000 2.322 285 K HA 0.649 5.007 4.320 0.064 0.000 0.283 285 K C 0.663 177.119 176.600 -0.239 0.000 1.042 285 K CA 0.193 56.426 56.287 -0.090 0.000 0.958 285 K CB 0.547 32.999 32.500 -0.080 0.000 0.984 285 K HN 0.571 nan 8.250 nan 0.000 0.473 286 A N 3.648 126.205 122.820 -0.438 0.000 2.328 286 A HA 0.324 4.683 4.320 0.064 0.000 0.284 286 A C -0.621 176.643 177.584 -0.534 0.000 1.160 286 A CA -0.362 51.255 52.037 -0.701 0.000 0.818 286 A CB 0.764 18.916 19.000 -1.415 0.000 1.087 286 A HN 0.736 nan 8.150 nan 0.000 0.504 287 T N 2.854 117.135 114.554 -0.455 0.000 2.807 287 T HA 0.520 4.908 4.350 0.064 0.000 0.279 287 T C -0.504 173.975 174.700 -0.368 0.000 0.993 287 T CA -0.082 61.807 62.100 -0.352 0.000 0.970 287 T CB 0.354 69.105 68.868 -0.195 0.000 0.950 287 T HN 0.343 nan 8.240 nan 0.000 0.441 288 F N 2.170 122.028 119.950 -0.154 0.000 2.471 288 F HA 0.483 5.048 4.527 0.063 0.000 0.353 288 F C 0.597 176.279 175.800 -0.197 0.000 1.113 288 F CA -0.380 57.524 58.000 -0.161 0.000 1.262 288 F CB 0.567 39.494 39.000 -0.122 0.000 1.146 288 F HN 0.184 nan 8.300 nan 0.000 0.578 289 V N 4.705 124.581 119.914 -0.063 0.000 2.808 289 V HA 0.569 4.728 4.120 0.064 0.000 0.308 289 V C -0.952 174.920 176.094 -0.369 0.000 1.099 289 V CA -0.762 61.349 62.300 -0.315 0.000 0.920 289 V CB 1.993 33.403 31.823 -0.689 0.000 1.014 289 V HN 0.768 nan 8.190 nan 0.000 0.425 290 R N 4.843 125.185 120.500 -0.262 0.000 2.514 290 R HA 0.573 4.951 4.340 0.064 0.000 0.301 290 R C -1.532 174.692 176.300 -0.126 0.000 0.962 290 R CA -0.491 55.481 56.100 -0.213 0.000 0.882 290 R CB 1.964 32.265 30.300 0.001 0.000 1.143 290 R HN 0.585 nan 8.270 nan 0.000 0.452 291 F N 2.160 122.151 119.950 0.069 0.000 2.384 291 F HA 0.335 4.899 4.527 0.063 0.000 0.338 291 F C 0.953 176.698 175.800 -0.090 0.000 1.103 291 F CA -0.062 57.955 58.000 0.028 0.000 1.157 291 F CB 0.804 39.703 39.000 -0.169 0.000 1.167 291 F HN 0.206 nan 8.300 nan 0.000 0.529 292 H N 1.034 120.116 119.070 0.020 0.000 2.717 292 H HA 0.233 4.827 4.556 0.064 0.000 0.366 292 H C -1.526 173.599 175.328 -0.338 0.000 1.132 292 H CA -0.989 54.972 56.048 -0.144 0.000 1.180 292 H CB 1.842 31.611 29.762 0.012 0.000 1.678 292 H HN 0.665 nan 8.280 nan 0.000 0.537 293 W N 2.384 123.572 121.300 -0.186 0.000 2.475 293 W HA 0.325 5.023 4.660 0.062 0.000 0.317 293 W C 0.007 176.564 176.519 0.064 0.000 1.046 293 W CA -0.764 56.536 57.345 -0.075 0.000 1.215 293 W CB 1.707 30.959 29.460 -0.346 0.000 1.335 293 W HN 0.291 nan 8.180 nan 0.000 0.471 294 K N 5.800 126.475 120.400 0.459 0.000 2.265 294 K HA 0.386 4.744 4.320 0.064 0.000 0.267 294 K C -2.452 174.357 176.600 0.348 0.000 0.994 294 K CA -1.894 54.593 56.287 0.333 0.000 0.860 294 K CB 1.492 34.138 32.500 0.244 0.000 1.099 294 K HN 0.059 nan 8.250 nan 0.000 0.448 295 P HA 0.073 nan 4.420 nan 0.000 0.281 295 P C 0.350 177.634 177.300 -0.026 0.000 1.286 295 P CA -0.178 62.934 63.100 0.020 0.000 0.772 295 P CB 0.848 32.582 31.700 0.056 0.000 0.862 296 L N 2.765 123.929 121.223 -0.098 0.000 2.465 296 L HA -0.055 4.324 4.340 0.064 0.000 0.224 296 L C 2.186 179.031 176.870 -0.041 0.000 1.145 296 L CA 0.939 55.763 54.840 -0.027 0.000 0.834 296 L CB -0.533 41.521 42.059 -0.008 0.000 0.944 296 L HN 0.348 nan 8.230 nan 0.000 0.451 297 A N -0.000 122.765 122.820 -0.091 0.000 2.238 297 A HA 0.409 4.768 4.320 0.064 0.000 0.208 297 A C 1.228 178.801 177.584 -0.018 0.000 1.177 297 A CA 0.690 52.693 52.037 -0.057 0.000 0.804 297 A CB -0.301 18.647 19.000 -0.087 0.000 0.823 297 A HN 0.448 nan 8.150 nan 0.000 0.482 298 G N -0.681 108.120 108.800 0.001 0.000 2.663 298 G HA2 -0.098 3.901 3.960 0.064 0.000 0.686 298 G HA3 -0.098 3.901 3.960 0.064 0.000 0.686 298 G C -0.729 174.190 174.900 0.031 0.000 1.288 298 G CA -0.546 44.575 45.100 0.035 0.000 0.836 298 G HN 0.424 nan 8.290 nan 0.000 0.584 299 K N 0.245 120.672 120.400 0.046 0.000 2.227 299 K HA 0.695 5.054 4.320 0.064 0.000 0.280 299 K C 0.264 176.852 176.600 -0.021 0.000 1.041 299 K CA 0.268 56.567 56.287 0.020 0.000 0.905 299 K CB 1.680 34.186 32.500 0.010 0.000 1.068 299 K HN 1.355 nan 8.250 nan 0.000 0.470 300 A N 1.910 124.702 122.820 -0.048 0.000 2.547 300 A HA 0.620 4.978 4.320 0.064 0.000 0.297 300 A C -1.069 176.540 177.584 0.042 0.000 1.056 300 A CA -0.689 51.268 52.037 -0.133 0.000 0.688 300 A CB 1.733 20.445 19.000 -0.480 0.000 1.282 300 A HN 0.520 nan 8.150 nan 0.000 0.400 301 S N 0.574 116.448 115.700 0.289 0.000 2.599 301 S HA 0.726 5.235 4.470 0.064 0.000 0.294 301 S C -0.065 174.849 174.600 0.523 0.000 1.094 301 S CA -0.610 57.815 58.200 0.374 0.000 0.931 301 S CB 1.186 64.594 63.200 0.346 0.000 1.093 301 S HN 0.644 nan 8.310 nan 0.000 0.488 302 L N 1.439 122.866 121.223 0.340 0.000 2.470 302 L HA 0.471 4.849 4.340 0.064 0.000 0.243 302 L C 0.177 177.171 176.870 0.208 0.000 1.227 302 L CA -0.676 54.288 54.840 0.207 0.000 0.824 302 L CB 0.099 42.196 42.059 0.064 0.000 1.175 302 L HN 0.493 nan 8.230 nan 0.000 0.503 303 V N -2.845 117.088 119.914 0.032 0.000 2.850 303 V HA 0.184 4.343 4.120 0.064 0.000 0.315 303 V C 0.674 176.722 176.094 -0.077 0.000 1.064 303 V CA -0.789 61.506 62.300 -0.008 0.000 0.979 303 V CB 1.606 33.400 31.823 -0.048 0.000 1.039 303 V HN 0.962 nan 8.190 nan 0.000 0.452 304 W N 1.833 123.004 121.300 -0.215 0.000 2.335 304 W HA -0.207 4.491 4.660 0.064 0.000 0.311 304 W C 1.708 178.078 176.519 -0.249 0.000 1.213 304 W CA 2.460 59.672 57.345 -0.221 0.000 1.274 304 W CB -0.083 29.225 29.460 -0.254 0.000 1.148 304 W HN 0.992 nan 8.180 nan 0.000 0.498 305 D N 0.253 120.390 120.400 -0.439 0.000 2.144 305 D HA -0.274 4.405 4.640 0.064 0.000 0.199 305 D C 2.156 178.124 176.300 -0.553 0.000 0.984 305 D CA 2.001 55.702 54.000 -0.497 0.000 0.834 305 D CB -0.430 40.330 40.800 -0.067 0.000 0.955 305 D HN 0.355 nan 8.370 nan 0.000 0.465 306 E N -0.291 119.461 120.200 -0.747 0.000 2.031 306 E HA -0.214 4.175 4.350 0.064 0.000 0.193 306 E C 2.048 178.317 176.600 -0.552 0.000 0.994 306 E CA 1.061 56.959 56.400 -0.838 0.000 0.800 306 E CB -0.234 28.854 29.700 -1.021 0.000 0.752 306 E HN 0.306 nan 8.360 nan 0.000 0.447 307 A N 1.197 123.719 122.820 -0.496 0.000 1.883 307 A HA -0.290 4.068 4.320 0.064 0.000 0.217 307 A C 2.190 179.452 177.584 -0.536 0.000 1.186 307 A CA 1.994 53.787 52.037 -0.407 0.000 0.624 307 A CB -0.800 18.072 19.000 -0.214 0.000 0.822 307 A HN 0.468 nan 8.150 nan 0.000 0.444 308 Q N -0.568 118.694 119.800 -0.897 0.000 2.079 308 Q HA -0.169 4.209 4.340 0.064 0.000 0.200 308 Q C 1.979 177.698 176.000 -0.469 0.000 0.974 308 Q CA 1.504 56.798 55.803 -0.849 0.000 0.840 308 Q CB -0.103 27.841 28.738 -1.324 0.000 0.898 308 Q HN 0.595 nan 8.270 nan 0.000 0.430 309 K N 0.219 120.365 120.400 -0.422 0.000 2.097 309 K HA -0.152 4.207 4.320 0.064 0.000 0.206 309 K C 2.041 178.498 176.600 -0.238 0.000 1.049 309 K CA 0.662 56.796 56.287 -0.256 0.000 0.933 309 K CB -0.154 32.236 32.500 -0.183 0.000 0.717 309 K HN 0.221 nan 8.250 nan 0.000 0.442 310 L N 1.716 122.756 121.223 -0.306 0.000 2.141 310 L HA -0.133 4.246 4.340 0.064 0.000 0.209 310 L C 2.450 179.186 176.870 -0.222 0.000 1.094 310 L CA 1.992 56.647 54.840 -0.309 0.000 0.763 310 L CB -1.302 40.483 42.059 -0.458 0.000 0.908 310 L HN 0.323 nan 8.230 nan 0.000 0.437 311 T N -4.354 110.073 114.554 -0.212 0.000 2.849 311 T HA -0.104 4.284 4.350 0.064 0.000 0.270 311 T C 1.875 176.513 174.700 -0.103 0.000 1.066 311 T CA 1.110 63.127 62.100 -0.139 0.000 1.130 311 T CB -0.890 67.907 68.868 -0.119 0.000 0.864 311 T HN 0.356 nan 8.240 nan 0.000 0.481 312 G N 1.139 109.871 108.800 -0.114 0.000 2.408 312 G HA2 -0.004 3.995 3.960 0.064 0.000 0.213 312 G HA3 -0.004 3.995 3.960 0.064 0.000 0.213 312 G C 1.923 176.780 174.900 -0.073 0.000 1.177 312 G CA -0.206 44.844 45.100 -0.084 0.000 0.802 312 G HN 0.320 nan 8.290 nan 0.000 0.533 313 R N 0.252 120.699 120.500 -0.089 0.000 2.093 313 R HA 0.056 4.435 4.340 0.064 0.000 0.224 313 R C -0.137 176.138 176.300 -0.042 0.000 1.101 313 R CA 0.761 56.823 56.100 -0.064 0.000 0.979 313 R CB -0.231 30.025 30.300 -0.074 0.000 0.877 313 R HN 0.324 nan 8.270 nan 0.000 0.441 314 D N -0.063 120.306 120.400 -0.051 0.000 2.381 314 D HA 0.155 4.834 4.640 0.064 0.000 0.245 314 D C -2.067 174.239 176.300 0.008 0.000 1.297 314 D CA -1.945 52.061 54.000 0.010 0.000 0.931 314 D CB 1.425 42.285 40.800 0.101 0.000 1.334 314 D HN -0.135 nan 8.370 nan 0.000 0.535 315 P HA -0.004 nan 4.420 nan 0.000 0.228 315 P C -0.016 177.292 177.300 0.014 0.000 1.151 315 P CA 0.635 63.726 63.100 -0.015 0.000 0.770 315 P CB 0.525 32.212 31.700 -0.021 0.000 0.786 316 D N -1.443 118.978 120.400 0.035 0.000 2.463 316 D HA 0.079 4.757 4.640 0.064 0.000 0.224 316 D C 1.199 177.539 176.300 0.066 0.000 1.174 316 D CA -0.470 53.555 54.000 0.041 0.000 0.829 316 D CB -0.496 40.305 40.800 0.002 0.000 0.993 316 D HN 0.114 nan 8.370 nan 0.000 0.497 317 F N 1.305 121.201 119.950 -0.089 0.000 2.095 317 F HA -0.244 4.321 4.527 0.064 0.000 0.298 317 F C 2.102 177.884 175.800 -0.030 0.000 1.104 317 F CA 1.877 59.821 58.000 -0.094 0.000 1.232 317 F CB 0.075 38.966 39.000 -0.182 0.000 0.987 317 F HN 0.115 nan 8.300 nan 0.000 0.475 318 H N -1.286 117.703 119.070 -0.135 0.000 2.395 318 H HA -0.077 4.517 4.556 0.064 0.000 0.299 318 H C 2.381 177.605 175.328 -0.173 0.000 1.070 318 H CA 0.799 56.624 56.048 -0.372 0.000 1.356 318 H CB -0.074 29.298 29.762 -0.650 0.000 1.401 318 H HN 0.170 nan 8.280 nan 0.000 0.524 319 R N 1.214 121.807 120.500 0.156 0.000 2.083 319 R HA -0.141 4.238 4.340 0.064 0.000 0.237 319 R C 2.443 178.846 176.300 0.171 0.000 1.137 319 R CA 1.410 57.654 56.100 0.240 0.000 0.951 319 R CB -0.027 30.395 30.300 0.203 0.000 0.851 319 R HN 0.191 nan 8.270 nan 0.000 0.434 320 R N 0.260 120.781 120.500 0.034 0.000 2.066 320 R HA -0.136 4.242 4.340 0.064 0.000 0.232 320 R C 2.192 178.484 176.300 -0.014 0.000 1.131 320 R CA 1.614 57.714 56.100 -0.000 0.000 0.955 320 R CB -0.236 30.023 30.300 -0.069 0.000 0.851 320 R HN 0.249 nan 8.270 nan 0.000 0.432 321 E N 0.748 120.824 120.200 -0.205 0.000 2.085 321 E HA -0.215 4.174 4.350 0.064 0.000 0.194 321 E C 2.011 178.582 176.600 -0.047 0.000 0.994 321 E CA 1.223 57.480 56.400 -0.238 0.000 0.801 321 E CB -0.107 29.281 29.700 -0.519 0.000 0.743 321 E HN 0.265 nan 8.360 nan 0.000 0.453 322 L N 0.676 121.921 121.223 0.037 0.000 2.017 322 L HA -0.144 4.235 4.340 0.064 0.000 0.208 322 L C 2.268 179.252 176.870 0.191 0.000 1.073 322 L CA 1.846 56.764 54.840 0.130 0.000 0.745 322 L CB -0.866 41.341 42.059 0.247 0.000 0.894 322 L HN 0.295 nan 8.230 nan 0.000 0.432 323 W N 0.936 122.276 121.300 0.067 0.000 2.358 323 W HA -0.191 4.507 4.660 0.063 0.000 0.303 323 W C 2.194 178.746 176.519 0.054 0.000 1.208 323 W CA 2.074 59.469 57.345 0.083 0.000 1.274 323 W CB -0.130 29.382 29.460 0.086 0.000 1.138 323 W HN 0.355 nan 8.180 nan 0.000 0.515 324 E N 0.117 120.503 120.200 0.310 0.000 2.106 324 E HA -0.156 4.232 4.350 0.064 0.000 0.192 324 E C 2.382 179.019 176.600 0.062 0.000 0.984 324 E CA 1.252 57.749 56.400 0.163 0.000 0.806 324 E CB -0.385 29.359 29.700 0.074 0.000 0.750 324 E HN 0.185 nan 8.360 nan 0.000 0.458 325 A N 1.269 124.123 122.820 0.056 0.000 1.877 325 A HA -0.190 4.168 4.320 0.064 0.000 0.216 325 A C 2.176 179.795 177.584 0.058 0.000 1.186 325 A CA 1.152 53.215 52.037 0.045 0.000 0.620 325 A CB -0.589 18.438 19.000 0.045 0.000 0.822 325 A HN 0.140 nan 8.150 nan 0.000 0.443 326 I N -0.411 120.215 120.570 0.094 0.000 2.226 326 I HA -0.253 3.955 4.170 0.064 0.000 0.245 326 I C 2.472 178.674 176.117 0.141 0.000 1.100 326 I CA 1.536 62.944 61.300 0.179 0.000 1.374 326 I CB -0.448 37.586 38.000 0.055 0.000 1.057 326 I HN 0.428 nan 8.210 nan 0.000 0.413 327 E N 0.814 121.038 120.200 0.041 0.000 2.153 327 E HA -0.192 4.196 4.350 0.064 0.000 0.194 327 E C 2.034 178.657 176.600 0.038 0.000 0.988 327 E CA 1.239 57.673 56.400 0.057 0.000 0.811 327 E CB -0.126 29.635 29.700 0.102 0.000 0.746 327 E HN 0.507 nan 8.360 nan 0.000 0.466 328 A N 0.170 122.988 122.820 -0.003 0.000 2.238 328 A HA 0.246 4.605 4.320 0.064 0.000 0.208 328 A C 1.725 179.250 177.584 -0.099 0.000 1.177 328 A CA 0.800 52.815 52.037 -0.036 0.000 0.804 328 A CB -0.257 18.701 19.000 -0.070 0.000 0.823 328 A HN 0.324 nan 8.150 nan 0.000 0.482 329 G N -0.180 108.473 108.800 -0.244 0.000 2.168 329 G HA2 -0.239 3.759 3.960 0.064 0.000 0.263 329 G HA3 -0.239 3.759 3.960 0.064 0.000 0.263 329 G C -0.140 174.269 174.900 -0.819 0.000 0.977 329 G CA 0.344 44.980 45.100 -0.773 0.000 0.659 329 G HN 0.507 nan 8.290 nan 0.000 0.533 330 D N 0.790 120.981 120.400 -0.348 0.000 2.845 330 D HA 0.261 4.940 4.640 0.064 0.000 0.235 330 D C 0.729 176.981 176.300 -0.079 0.000 1.158 330 D CA -0.175 53.715 54.000 -0.183 0.000 0.990 330 D CB -0.689 40.101 40.800 -0.017 0.000 1.094 330 D HN 0.433 nan 8.370 nan 0.000 0.486 331 F N 1.400 121.356 119.950 0.009 0.000 2.602 331 F HA 0.081 4.647 4.527 0.065 0.000 0.385 331 F C -1.381 174.398 175.800 -0.034 0.000 1.063 331 F CA -1.925 56.074 58.000 -0.003 0.000 1.233 331 F CB 0.012 39.020 39.000 0.012 0.000 1.067 331 F HN -0.114 nan 8.300 nan 0.000 0.564 332 P HA -0.027 nan 4.420 nan 0.000 0.261 332 P C -1.041 176.239 177.300 -0.034 0.000 1.183 332 P CA 0.508 63.612 63.100 0.006 0.000 0.761 332 P CB 0.411 32.194 31.700 0.139 0.000 0.785 333 E N 2.690 122.740 120.200 -0.250 0.000 2.222 333 E HA 0.432 4.820 4.350 0.064 0.000 0.267 333 E C -0.965 175.384 176.600 -0.417 0.000 0.884 333 E CA -0.582 55.720 56.400 -0.164 0.000 0.764 333 E CB 1.488 31.168 29.700 -0.034 0.000 1.169 333 E HN 0.397 nan 8.360 nan 0.000 0.413 334 Y N 0.306 120.680 120.300 0.123 0.000 2.512 334 Y HA 0.244 4.834 4.550 0.065 0.000 0.348 334 Y C -0.173 175.954 175.900 0.378 0.000 0.990 334 Y CA -1.002 57.245 58.100 0.245 0.000 1.033 334 Y CB 2.095 40.685 38.460 0.217 0.000 1.259 334 Y HN 0.479 nan 8.280 nan 0.000 0.461 335 E N 2.678 123.205 120.200 0.546 0.000 2.134 335 E HA 0.384 4.772 4.350 0.064 0.000 0.278 335 E C -1.505 175.375 176.600 0.466 0.000 0.959 335 E CA -0.928 55.747 56.400 0.458 0.000 0.783 335 E CB 1.013 30.920 29.700 0.345 0.000 1.095 335 E HN 0.584 nan 8.360 nan 0.000 0.399 336 L N 4.254 125.681 121.223 0.339 0.000 2.416 336 L HA 0.514 4.893 4.340 0.064 0.000 0.272 336 L C -0.055 176.751 176.870 -0.107 0.000 1.161 336 L CA 0.654 55.425 54.840 -0.115 0.000 0.845 336 L CB 1.081 43.002 42.059 -0.230 0.000 1.119 336 L HN 0.592 nan 8.230 nan 0.000 0.464 337 G N 4.387 113.135 108.800 -0.087 0.000 2.667 337 G HA2 0.524 4.523 3.960 0.064 0.000 0.298 337 G HA3 0.524 4.523 3.960 0.064 0.000 0.298 337 G C -1.654 173.382 174.900 0.227 0.000 1.377 337 G CA -0.491 44.605 45.100 -0.008 0.000 0.964 337 G HN 0.452 nan 8.290 nan 0.000 0.493 338 F N 0.468 120.439 119.950 0.036 0.000 2.507 338 F HA 0.382 4.948 4.527 0.065 0.000 0.325 338 F C 0.401 176.198 175.800 -0.005 0.000 1.116 338 F CA -0.970 57.056 58.000 0.044 0.000 0.930 338 F CB 2.555 41.567 39.000 0.019 0.000 1.146 338 F HN 0.154 nan 8.300 nan 0.000 0.447 339 Q N 4.425 124.345 119.800 0.199 0.000 2.274 339 Q HA 0.486 4.865 4.340 0.064 0.000 0.256 339 Q C -1.048 174.996 176.000 0.074 0.000 0.927 339 Q CA -0.400 55.465 55.803 0.104 0.000 0.939 339 Q CB 2.070 30.875 28.738 0.112 0.000 1.201 339 Q HN 0.534 nan 8.270 nan 0.000 0.426 340 L N 4.443 125.718 121.223 0.086 0.000 2.333 340 L HA 0.586 4.965 4.340 0.064 0.000 0.280 340 L C -0.614 176.313 176.870 0.095 0.000 1.004 340 L CA -0.569 54.309 54.840 0.064 0.000 0.820 340 L CB 1.311 43.415 42.059 0.076 0.000 1.247 340 L HN 0.510 nan 8.230 nan 0.000 0.416 341 I N 4.179 124.819 120.570 0.118 0.000 2.447 341 I HA 0.358 4.566 4.170 0.064 0.000 0.287 341 I C -2.332 173.896 176.117 0.185 0.000 1.023 341 I CA -2.119 59.296 61.300 0.191 0.000 1.083 341 I CB 2.246 40.386 38.000 0.234 0.000 1.245 341 I HN 0.251 nan 8.210 nan 0.000 0.434 342 P HA 0.001 nan 4.420 nan 0.000 0.267 342 P C 0.702 178.074 177.300 0.120 0.000 1.200 342 P CA 0.070 63.209 63.100 0.065 0.000 0.772 342 P CB 0.881 32.614 31.700 0.056 0.000 0.855 343 E N 2.659 122.846 120.200 -0.022 0.000 2.085 343 E HA -0.264 4.124 4.350 0.064 0.000 0.194 343 E C 1.426 178.135 176.600 0.181 0.000 0.994 343 E CA 1.146 57.541 56.400 -0.008 0.000 0.801 343 E CB -0.059 29.536 29.700 -0.174 0.000 0.743 343 E HN 0.501 nan 8.360 nan 0.000 0.453 344 E N 0.281 120.550 120.200 0.114 0.000 2.463 344 E HA -0.193 4.196 4.350 0.064 0.000 0.201 344 E C 0.288 176.969 176.600 0.135 0.000 1.045 344 E CA 0.948 57.423 56.400 0.125 0.000 0.872 344 E CB -0.005 29.740 29.700 0.076 0.000 0.797 344 E HN 0.263 nan 8.360 nan 0.000 0.538 345 D N 1.087 121.576 120.400 0.148 0.000 2.368 345 D HA 0.006 4.685 4.640 0.064 0.000 0.218 345 D C 1.299 177.676 176.300 0.128 0.000 1.112 345 D CA 0.005 54.069 54.000 0.106 0.000 0.834 345 D CB 0.216 41.070 40.800 0.091 0.000 0.953 345 D HN 0.433 nan 8.370 nan 0.000 0.505 346 E N -0.183 120.088 120.200 0.119 0.000 2.130 346 E HA -0.192 4.196 4.350 0.064 0.000 0.196 346 E C 0.496 176.889 176.600 -0.346 0.000 0.998 346 E CA 1.115 57.403 56.400 -0.187 0.000 0.806 346 E CB 0.029 29.536 29.700 -0.322 0.000 0.738 346 E HN 0.237 nan 8.360 nan 0.000 0.459 347 F N -0.325 119.641 119.950 0.028 0.000 2.639 347 F HA 0.288 4.853 4.527 0.064 0.000 0.302 347 F C 1.391 177.149 175.800 -0.070 0.000 1.097 347 F CA -0.241 57.752 58.000 -0.011 0.000 1.294 347 F CB 0.617 39.614 39.000 -0.006 0.000 1.027 347 F HN -0.174 nan 8.300 nan 0.000 0.550 348 K N -0.018 120.358 120.400 -0.040 0.000 2.487 348 K HA 0.103 4.462 4.320 0.064 0.000 0.192 348 K C -0.224 176.049 176.600 -0.546 0.000 1.027 348 K CA 0.331 56.440 56.287 -0.297 0.000 1.054 348 K CB 0.159 32.417 32.500 -0.403 0.000 0.824 348 K HN 0.109 nan 8.250 nan 0.000 0.510 349 F N 0.667 120.465 119.950 -0.253 0.000 2.457 349 F HA 0.080 4.646 4.527 0.064 0.000 0.330 349 F C 1.278 176.896 175.800 -0.303 0.000 1.069 349 F CA -1.359 56.399 58.000 -0.403 0.000 1.009 349 F CB 0.557 38.956 39.000 -1.002 0.000 1.276 349 F HN -0.028 nan 8.300 nan 0.000 0.492 350 D N -0.347 120.069 120.400 0.027 0.000 2.336 350 D HA 0.021 4.699 4.640 0.064 0.000 0.229 350 D C -0.370 176.031 176.300 0.169 0.000 1.061 350 D CA 0.185 54.246 54.000 0.102 0.000 0.875 350 D CB -0.912 39.969 40.800 0.135 0.000 0.904 350 D HN 0.252 nan 8.370 nan 0.000 0.525 351 F N -1.698 118.328 119.950 0.127 0.000 2.611 351 F HA 0.524 5.089 4.527 0.063 0.000 0.324 351 F C -0.203 175.568 175.800 -0.048 0.000 1.061 351 F CA -1.746 56.246 58.000 -0.014 0.000 0.954 351 F CB 0.892 39.839 39.000 -0.088 0.000 1.301 351 F HN -0.338 nan 8.300 nan 0.000 0.482 352 D N 1.779 122.164 120.400 -0.026 0.000 2.312 352 D HA 0.190 4.868 4.640 0.064 0.000 0.252 352 D C 1.024 177.226 176.300 -0.163 0.000 1.150 352 D CA -0.023 53.900 54.000 -0.129 0.000 0.870 352 D CB 1.470 42.199 40.800 -0.118 0.000 1.153 352 D HN 0.755 nan 8.370 nan 0.000 0.457 353 L N 3.457 124.518 121.223 -0.269 0.000 2.265 353 L HA -0.140 4.239 4.340 0.064 0.000 0.215 353 L C 1.971 178.687 176.870 -0.257 0.000 1.117 353 L CA 0.717 55.382 54.840 -0.292 0.000 0.782 353 L CB -0.093 41.663 42.059 -0.505 0.000 0.914 353 L HN 0.454 nan 8.230 nan 0.000 0.441 354 L N -0.982 120.112 121.223 -0.216 0.000 2.591 354 L HA 0.074 4.453 4.340 0.064 0.000 0.228 354 L C 0.364 177.182 176.870 -0.085 0.000 1.133 354 L CA -0.142 54.649 54.840 -0.083 0.000 0.880 354 L CB -0.263 41.843 42.059 0.078 0.000 1.033 354 L HN 0.094 nan 8.230 nan 0.000 0.450 355 D N 1.842 121.953 120.400 -0.483 0.000 2.347 355 D HA 0.129 4.807 4.640 0.064 0.000 0.235 355 D C -1.608 174.491 176.300 -0.335 0.000 1.149 355 D CA -2.246 51.249 54.000 -0.840 0.000 0.850 355 D CB 1.642 41.628 40.800 -1.357 0.000 1.061 355 D HN -0.073 nan 8.370 nan 0.000 0.487 356 P HA -0.022 nan 4.420 nan 0.000 0.245 356 P C 0.860 178.079 177.300 -0.134 0.000 1.212 356 P CA 0.488 63.538 63.100 -0.084 0.000 0.774 356 P CB -0.022 31.721 31.700 0.072 0.000 0.999 357 T N -4.112 110.354 114.554 -0.146 0.000 3.129 357 T HA 0.124 4.512 4.350 0.064 0.000 0.251 357 T C 0.761 175.379 174.700 -0.137 0.000 1.117 357 T CA 0.069 62.089 62.100 -0.134 0.000 1.034 357 T CB -0.257 68.579 68.868 -0.052 0.000 0.968 357 T HN -0.124 nan 8.240 nan 0.000 0.526 358 K N 2.027 122.255 120.400 -0.287 0.000 2.221 358 K HA 0.553 4.912 4.320 0.064 0.000 0.258 358 K C -0.368 176.065 176.600 -0.280 0.000 0.944 358 K CA -0.886 55.112 56.287 -0.482 0.000 0.823 358 K CB 2.186 34.271 32.500 -0.692 0.000 1.113 358 K HN 0.293 nan 8.250 nan 0.000 0.431 359 L N -0.115 121.074 121.223 -0.056 0.000 2.375 359 L HA 0.636 5.015 4.340 0.064 0.000 0.268 359 L C -0.039 176.673 176.870 -0.264 0.000 1.058 359 L CA -0.406 54.355 54.840 -0.131 0.000 0.803 359 L CB 0.303 42.359 42.059 -0.005 0.000 1.212 359 L HN 0.444 nan 8.230 nan 0.000 0.451 360 I N 1.659 122.157 120.570 -0.120 0.000 2.307 360 I HA 0.362 4.570 4.170 0.064 0.000 0.289 360 I C -2.108 174.040 176.117 0.051 0.000 1.021 360 I CA -1.713 59.573 61.300 -0.023 0.000 1.224 360 I CB 1.049 39.051 38.000 0.003 0.000 1.376 360 I HN 0.450 nan 8.210 nan 0.000 0.470 361 P HA 0.041 nan 4.420 nan 0.000 0.267 361 P C 0.380 177.756 177.300 0.126 0.000 1.209 361 P CA 0.044 63.199 63.100 0.091 0.000 0.763 361 P CB 0.552 32.296 31.700 0.074 0.000 0.816 362 E N 2.036 122.314 120.200 0.131 0.000 2.267 362 E HA -0.222 4.167 4.350 0.064 0.000 0.197 362 E C 1.272 177.931 176.600 0.099 0.000 0.998 362 E CA 0.899 57.364 56.400 0.109 0.000 0.830 362 E CB -0.012 29.753 29.700 0.108 0.000 0.751 362 E HN 0.534 nan 8.360 nan 0.000 0.491 363 E N 0.201 120.459 120.200 0.098 0.000 2.268 363 E HA -0.116 4.272 4.350 0.064 0.000 0.195 363 E C 1.978 178.644 176.600 0.111 0.000 0.995 363 E CA 0.640 57.093 56.400 0.088 0.000 0.836 363 E CB 0.137 29.881 29.700 0.073 0.000 0.763 363 E HN 0.380 nan 8.360 nan 0.000 0.491 364 L N -0.509 120.805 121.223 0.153 0.000 2.221 364 L HA 0.074 4.452 4.340 0.064 0.000 0.202 364 L C 0.586 177.585 176.870 0.214 0.000 1.074 364 L CA 0.377 55.345 54.840 0.212 0.000 0.795 364 L CB 0.544 42.811 42.059 0.346 0.000 0.960 364 L HN -0.214 nan 8.230 nan 0.000 0.458 365 V N 1.420 121.444 119.914 0.184 0.000 2.462 365 V HA 0.329 4.487 4.120 0.064 0.000 0.288 365 V C -2.394 173.757 176.094 0.096 0.000 1.020 365 V CA -1.443 60.948 62.300 0.153 0.000 0.857 365 V CB 1.645 33.565 31.823 0.162 0.000 1.013 365 V HN -0.046 nan 8.190 nan 0.000 0.431 366 P HA 0.210 nan 4.420 nan 0.000 0.274 366 P C -0.328 176.977 177.300 0.007 0.000 1.237 366 P CA -0.125 63.000 63.100 0.042 0.000 0.793 366 P CB 1.183 32.911 31.700 0.047 0.000 0.977 367 V N 3.001 122.885 119.914 -0.050 0.000 2.405 367 V HA 0.059 4.218 4.120 0.064 0.000 0.264 367 V C 0.962 177.050 176.094 -0.011 0.000 1.048 367 V CA 0.096 62.331 62.300 -0.109 0.000 0.966 367 V CB -0.143 31.532 31.823 -0.247 0.000 1.015 367 V HN 0.555 nan 8.190 nan 0.000 0.477 368 Q N 5.882 125.700 119.800 0.030 0.000 2.288 368 Q HA 0.301 4.679 4.340 0.064 0.000 0.258 368 Q C -0.013 175.992 176.000 0.009 0.000 0.957 368 Q CA -0.642 55.184 55.803 0.037 0.000 0.919 368 Q CB 0.666 29.442 28.738 0.063 0.000 1.185 368 Q HN 0.673 nan 8.270 nan 0.000 0.408 369 R N 2.378 122.907 120.500 0.049 0.000 2.537 369 R HA 0.074 4.453 4.340 0.064 0.000 0.280 369 R C 0.293 176.630 176.300 0.061 0.000 1.058 369 R CA -0.222 55.948 56.100 0.116 0.000 1.057 369 R CB 0.732 31.180 30.300 0.246 0.000 0.973 369 R HN 0.529 nan 8.270 nan 0.000 0.438 370 V N 0.751 120.603 119.914 -0.104 0.000 3.159 370 V HA 0.355 4.514 4.120 0.064 0.000 0.234 370 V C 0.700 176.504 176.094 -0.484 0.000 1.313 370 V CA 0.968 63.069 62.300 -0.332 0.000 1.271 370 V CB 1.034 32.399 31.823 -0.763 0.000 1.053 370 V HN 0.994 nan 8.190 nan 0.000 0.476 371 G N -0.226 108.172 108.800 -0.671 0.000 2.488 371 G HA2 0.524 4.522 3.960 0.064 0.000 0.301 371 G HA3 0.524 4.522 3.960 0.064 0.000 0.301 371 G C -1.901 172.626 174.900 -0.623 0.000 1.339 371 G CA -0.516 43.947 45.100 -1.063 0.000 0.803 371 G HN 0.077 nan 8.290 nan 0.000 0.482 372 K N -0.427 119.678 120.400 -0.491 0.000 2.378 372 K HA 0.740 5.098 4.320 0.064 0.000 0.252 372 K C -0.856 175.796 176.600 0.087 0.000 0.931 372 K CA -0.762 55.518 56.287 -0.012 0.000 0.794 372 K CB 2.062 34.611 32.500 0.083 0.000 1.181 372 K HN 0.572 nan 8.250 nan 0.000 0.425 373 M N 4.556 124.331 119.600 0.293 0.000 2.311 373 M HA 0.427 4.945 4.480 0.064 0.000 0.325 373 M C -1.745 174.549 176.300 -0.010 0.000 1.061 373 M CA -0.788 54.624 55.300 0.186 0.000 0.957 373 M CB 1.746 34.490 32.600 0.240 0.000 1.646 373 M HN 0.370 nan 8.290 nan 0.000 0.434 374 V N 5.654 125.387 119.914 -0.302 0.000 2.531 374 V HA 0.440 4.599 4.120 0.064 0.000 0.301 374 V C -0.982 174.958 176.094 -0.258 0.000 1.034 374 V CA -0.847 61.277 62.300 -0.293 0.000 0.865 374 V CB 1.773 33.264 31.823 -0.554 0.000 0.995 374 V HN 0.650 nan 8.190 nan 0.000 0.424 375 L N 5.990 127.165 121.223 -0.080 0.000 2.259 375 L HA 0.481 4.859 4.340 0.064 0.000 0.288 375 L C 0.734 177.502 176.870 -0.169 0.000 1.051 375 L CA 0.168 54.958 54.840 -0.082 0.000 0.824 375 L CB 0.878 42.948 42.059 0.018 0.000 1.206 375 L HN 0.888 nan 8.230 nan 0.000 0.429 376 N N 2.227 120.728 118.700 -0.332 0.000 2.160 376 N HA 0.136 4.914 4.740 0.064 0.000 0.226 376 N C 0.126 175.395 175.510 -0.401 0.000 1.256 376 N CA -0.232 52.334 53.050 -0.808 0.000 0.890 376 N CB 0.805 38.516 38.487 -1.294 0.000 1.116 376 N HN 0.397 nan 8.380 nan 0.000 0.517 377 R N 0.166 120.566 120.500 -0.166 0.000 2.584 377 R HA 0.336 4.715 4.340 0.064 0.000 0.276 377 R C -1.220 175.016 176.300 -0.107 0.000 1.046 377 R CA -0.590 55.438 56.100 -0.120 0.000 0.906 377 R CB 1.400 31.638 30.300 -0.103 0.000 1.215 377 R HN 0.050 nan 8.270 nan 0.000 0.449 378 N N 2.769 121.292 118.700 -0.296 0.000 2.467 378 N HA 0.282 5.061 4.740 0.064 0.000 0.262 378 N C -2.318 173.109 175.510 -0.137 0.000 1.234 378 N CA -1.269 51.475 53.050 -0.511 0.000 0.952 378 N CB 0.587 38.135 38.487 -1.564 0.000 1.158 378 N HN 0.303 nan 8.380 nan 0.000 0.463 379 P HA 0.093 nan 4.420 nan 0.000 0.271 379 P C 0.212 177.681 177.300 0.282 0.000 1.244 379 P CA -0.071 63.208 63.100 0.298 0.000 0.793 379 P CB 0.930 32.854 31.700 0.373 0.000 0.984 380 D N -0.966 119.578 120.400 0.240 0.000 2.197 380 D HA -0.024 4.654 4.640 0.064 0.000 0.212 380 D C 0.418 176.888 176.300 0.284 0.000 0.963 380 D CA 1.394 55.533 54.000 0.232 0.000 0.864 380 D CB 0.132 41.010 40.800 0.131 0.000 1.009 380 D HN 0.381 nan 8.370 nan 0.000 0.479 381 N N -0.219 118.638 118.700 0.261 0.000 2.461 381 N HA 0.007 4.786 4.740 0.064 0.000 0.284 381 N C 0.064 175.775 175.510 0.336 0.000 1.049 381 N CA -0.349 52.872 53.050 0.285 0.000 0.889 381 N CB 1.635 40.258 38.487 0.227 0.000 1.365 381 N HN -0.160 nan 8.380 nan 0.000 0.499 382 F N 4.386 124.486 119.950 0.250 0.000 2.095 382 F HA -0.180 4.386 4.527 0.064 0.000 0.298 382 F C 1.679 177.616 175.800 0.228 0.000 1.104 382 F CA 1.566 59.716 58.000 0.250 0.000 1.232 382 F CB -0.137 38.984 39.000 0.201 0.000 0.987 382 F HN 0.614 nan 8.300 nan 0.000 0.475 383 F N 0.822 121.018 119.950 0.411 0.000 2.075 383 F HA -0.140 4.426 4.527 0.064 0.000 0.297 383 F C 2.333 178.190 175.800 0.095 0.000 1.113 383 F CA 1.772 59.930 58.000 0.263 0.000 1.218 383 F CB -0.965 38.166 39.000 0.219 0.000 0.984 383 F HN 0.001 nan 8.300 nan 0.000 0.472 384 A N -0.276 122.683 122.820 0.231 0.000 1.908 384 A HA -0.194 4.164 4.320 0.064 0.000 0.218 384 A C 2.063 179.573 177.584 -0.124 0.000 1.181 384 A CA 2.168 54.245 52.037 0.067 0.000 0.627 384 A CB -0.684 18.406 19.000 0.151 0.000 0.818 384 A HN 0.616 nan 8.150 nan 0.000 0.445 385 E N -1.623 118.517 120.200 -0.100 0.000 2.206 385 E HA -0.047 4.342 4.350 0.064 0.000 0.195 385 E C 1.968 178.472 176.600 -0.160 0.000 0.935 385 E CA 0.334 56.615 56.400 -0.198 0.000 0.875 385 E CB -0.131 29.490 29.700 -0.132 0.000 0.841 385 E HN 0.552 nan 8.360 nan 0.000 0.477 386 N N 1.530 120.129 118.700 -0.167 0.000 2.124 386 N HA -0.176 4.602 4.740 0.064 0.000 0.188 386 N C 1.842 177.188 175.510 -0.273 0.000 1.045 386 N CA 1.458 54.356 53.050 -0.254 0.000 0.846 386 N CB -0.008 37.911 38.487 -0.946 0.000 1.020 386 N HN -0.069 nan 8.380 nan 0.000 0.432 387 E N 0.738 120.709 120.200 -0.381 0.000 2.130 387 E HA -0.138 4.250 4.350 0.064 0.000 0.196 387 E C 1.652 178.063 176.600 -0.315 0.000 0.998 387 E CA 1.555 57.811 56.400 -0.240 0.000 0.806 387 E CB -0.155 29.437 29.700 -0.180 0.000 0.738 387 E HN 0.526 nan 8.360 nan 0.000 0.459 388 Q N -0.439 119.101 119.800 -0.434 0.000 2.403 388 Q HA 0.272 4.651 4.340 0.064 0.000 0.203 388 Q C 0.069 175.943 176.000 -0.210 0.000 0.932 388 Q CA 0.174 55.770 55.803 -0.345 0.000 0.945 388 Q CB 0.553 29.061 28.738 -0.384 0.000 1.045 388 Q HN 0.220 nan 8.270 nan 0.000 0.511 389 A N 1.209 123.931 122.820 -0.164 0.000 2.483 389 A HA 0.450 4.809 4.320 0.064 0.000 0.238 389 A C -0.103 177.373 177.584 -0.179 0.000 1.070 389 A CA 0.253 52.179 52.037 -0.185 0.000 0.770 389 A CB 0.247 19.221 19.000 -0.044 0.000 1.008 389 A HN 0.276 nan 8.150 nan 0.000 0.497 390 A N 2.022 124.670 122.820 -0.288 0.000 2.340 390 A HA 0.682 5.041 4.320 0.064 0.000 0.297 390 A C -0.815 176.634 177.584 -0.226 0.000 1.195 390 A CA -0.408 51.527 52.037 -0.170 0.000 0.769 390 A CB 0.307 19.208 19.000 -0.166 0.000 1.163 390 A HN 0.633 nan 8.150 nan 0.000 0.472 391 F N 1.014 120.962 119.950 -0.003 0.000 2.450 391 F HA 0.654 5.219 4.527 0.064 0.000 0.332 391 F C 0.346 176.101 175.800 -0.075 0.000 1.093 391 F CA -0.130 57.840 58.000 -0.050 0.000 1.003 391 F CB 1.970 40.888 39.000 -0.138 0.000 1.151 391 F HN 0.744 nan 8.300 nan 0.000 0.474 392 H N 3.379 122.295 119.070 -0.256 0.000 3.042 392 H HA 0.283 4.883 4.556 0.073 0.000 0.345 392 H C -2.451 172.485 175.328 -0.654 0.000 1.052 392 H CA -1.804 53.840 56.048 -0.673 0.000 1.311 392 H CB 2.678 31.996 29.762 -0.740 0.000 1.810 392 H HN 0.184 nan 8.280 nan 0.000 0.505 393 P HA -0.002 nan 4.420 nan 0.000 0.230 393 P C 1.214 178.391 177.300 -0.204 0.000 1.158 393 P CA 1.227 64.020 63.100 -0.511 0.000 0.769 393 P CB 0.124 31.573 31.700 -0.419 0.000 0.807 394 G N -0.768 107.690 108.800 -0.570 0.000 2.509 394 G HA2 -0.178 3.821 3.960 0.064 0.000 0.218 394 G HA3 -0.178 3.821 3.960 0.064 0.000 0.218 394 G C 0.491 175.610 174.900 0.366 0.000 1.124 394 G CA 0.095 45.239 45.100 0.073 0.000 0.776 394 G HN 0.437 nan 8.290 nan 0.000 0.547 395 H N 0.735 119.929 119.070 0.207 0.000 3.118 395 H HA 0.357 4.949 4.556 0.059 0.000 0.266 395 H C 0.585 176.024 175.328 0.184 0.000 1.465 395 H CA -0.775 55.362 56.048 0.147 0.000 1.460 395 H CB 0.010 29.822 29.762 0.083 0.000 1.661 395 H HN 0.373 nan 8.280 nan 0.000 0.516 396 I N -0.093 120.605 120.570 0.214 0.000 3.449 396 I HA 0.711 4.920 4.170 0.064 0.000 0.294 396 I C -0.229 175.875 176.117 -0.022 0.000 1.163 396 I CA -1.397 59.951 61.300 0.080 0.000 1.010 396 I CB 1.895 39.823 38.000 -0.120 0.000 1.307 396 I HN 0.155 nan 8.210 nan 0.000 0.518 397 V N -2.802 117.083 119.914 -0.048 0.000 3.130 397 V HA 0.657 4.816 4.120 0.064 0.000 0.310 397 V C -2.882 173.322 176.094 0.184 0.000 1.158 397 V CA -2.474 59.861 62.300 0.058 0.000 1.029 397 V CB 1.005 32.839 31.823 0.018 0.000 1.057 397 V HN 0.627 nan 8.190 nan 0.000 0.436 398 P HA 0.358 nan 4.420 nan 0.000 0.264 398 P C 0.950 178.248 177.300 -0.002 0.000 1.183 398 P CA 2.043 65.213 63.100 0.117 0.000 0.763 398 P CB 0.684 32.427 31.700 0.072 0.000 0.807 399 G N 1.612 110.363 108.800 -0.082 0.000 2.232 399 G HA2 -0.176 3.822 3.960 0.064 0.000 0.226 399 G HA3 -0.176 3.822 3.960 0.064 0.000 0.226 399 G C -0.209 174.606 174.900 -0.140 0.000 0.996 399 G CA -0.371 44.663 45.100 -0.111 0.000 0.626 399 G HN 0.451 nan 8.290 nan 0.000 0.509 400 L N 0.169 121.323 121.223 -0.115 0.000 2.319 400 L HA 0.912 5.290 4.340 0.064 0.000 0.267 400 L C -0.364 176.452 176.870 -0.090 0.000 1.011 400 L CA -1.036 53.714 54.840 -0.150 0.000 0.818 400 L CB 1.967 43.861 42.059 -0.276 0.000 1.316 400 L HN 0.119 nan 8.230 nan 0.000 0.432 401 D N -0.644 119.688 120.400 -0.114 0.000 2.665 401 D HA 0.438 5.117 4.640 0.064 0.000 0.287 401 D C -1.158 175.069 176.300 -0.121 0.000 1.266 401 D CA -0.384 53.510 54.000 -0.176 0.000 0.830 401 D CB 1.808 42.585 40.800 -0.039 0.000 1.356 401 D HN 0.107 nan 8.370 nan 0.000 0.437 402 F N -0.150 119.928 119.950 0.214 0.000 2.291 402 F HA 0.503 5.069 4.527 0.065 0.000 0.305 402 F C 1.550 177.371 175.800 0.035 0.000 1.171 402 F CA -0.226 57.824 58.000 0.084 0.000 1.090 402 F CB 0.929 39.948 39.000 0.032 0.000 1.436 402 F HN 0.207 nan 8.300 nan 0.000 0.509 403 T N -3.274 111.366 114.554 0.144 0.000 2.742 403 T HA 0.318 4.706 4.350 0.064 0.000 0.282 403 T C -0.066 174.660 174.700 0.043 0.000 1.025 403 T CA -0.980 61.189 62.100 0.115 0.000 1.020 403 T CB 1.157 70.062 68.868 0.063 0.000 1.317 403 T HN 0.353 nan 8.240 nan 0.000 0.538 404 N N 1.030 119.754 118.700 0.041 0.000 2.370 404 N HA 0.076 4.855 4.740 0.064 0.000 0.198 404 N C -0.016 175.485 175.510 -0.016 0.000 1.156 404 N CA 0.005 53.060 53.050 0.008 0.000 0.839 404 N CB -0.376 38.133 38.487 0.036 0.000 0.989 404 N HN 0.686 nan 8.380 nan 0.000 0.468 405 D N 2.534 122.910 120.400 -0.041 0.000 2.819 405 D HA -0.097 4.582 4.640 0.064 0.000 0.236 405 D C -1.344 174.923 176.300 -0.056 0.000 1.181 405 D CA -0.708 53.282 54.000 -0.016 0.000 0.855 405 D CB 1.148 41.874 40.800 -0.123 0.000 1.146 405 D HN 0.174 nan 8.370 nan 0.000 0.540 406 P HA -0.095 nan 4.420 nan 0.000 0.233 406 P C 1.485 178.781 177.300 -0.007 0.000 1.167 406 P CA 0.076 63.166 63.100 -0.015 0.000 0.770 406 P CB 0.448 32.129 31.700 -0.031 0.000 0.837 407 L N -0.087 121.148 121.223 0.020 0.000 2.084 407 L HA 0.021 4.399 4.340 0.064 0.000 0.202 407 L C 2.388 179.155 176.870 -0.173 0.000 1.074 407 L CA 1.218 56.069 54.840 0.018 0.000 0.757 407 L CB -1.581 40.583 42.059 0.176 0.000 0.918 407 L HN -0.175 nan 8.230 nan 0.000 0.444 408 L N -0.475 120.444 121.223 -0.506 0.000 2.043 408 L HA -0.240 4.138 4.340 0.064 0.000 0.212 408 L C 2.425 179.033 176.870 -0.436 0.000 1.075 408 L CA 1.837 56.184 54.840 -0.822 0.000 0.752 408 L CB -0.906 40.418 42.059 -1.224 0.000 0.891 408 L HN 0.382 nan 8.230 nan 0.000 0.432 409 Q N -0.165 119.450 119.800 -0.309 0.000 2.096 409 Q HA -0.136 4.243 4.340 0.064 0.000 0.204 409 Q C 2.110 178.025 176.000 -0.141 0.000 0.982 409 Q CA 1.775 57.441 55.803 -0.227 0.000 0.850 409 Q CB -0.726 27.928 28.738 -0.139 0.000 0.901 409 Q HN 0.712 nan 8.270 nan 0.000 0.422 410 G N 0.351 109.100 108.800 -0.085 0.000 2.464 410 G HA2 -0.186 3.813 3.960 0.064 0.000 0.217 410 G HA3 -0.186 3.813 3.960 0.064 0.000 0.217 410 G C 1.492 176.411 174.900 0.032 0.000 1.138 410 G CA 0.025 45.126 45.100 0.001 0.000 0.793 410 G HN 0.237 nan 8.290 nan 0.000 0.539 411 R N -0.064 120.402 120.500 -0.056 0.000 2.117 411 R HA -0.022 4.356 4.340 0.064 0.000 0.243 411 R C 2.469 178.840 176.300 0.118 0.000 1.143 411 R CA 0.990 57.113 56.100 0.038 0.000 0.968 411 R CB -0.495 29.788 30.300 -0.028 0.000 0.863 411 R HN 0.351 nan 8.270 nan 0.000 0.444 412 L N -0.449 120.739 121.223 -0.057 0.000 2.127 412 L HA -0.206 4.173 4.340 0.064 0.000 0.211 412 L C 2.317 179.323 176.870 0.226 0.000 1.089 412 L CA 1.148 55.978 54.840 -0.017 0.000 0.757 412 L CB -0.492 41.414 42.059 -0.256 0.000 0.899 412 L HN 0.151 nan 8.230 nan 0.000 0.434 413 F N 0.162 120.146 119.950 0.056 0.000 2.146 413 F HA -0.204 4.344 4.527 0.035 0.000 0.298 413 F C 2.753 178.598 175.800 0.075 0.000 1.096 413 F CA 1.613 59.643 58.000 0.050 0.000 1.275 413 F CB -0.210 38.797 39.000 0.011 0.000 1.008 413 F HN -0.016 nan 8.300 nan 0.000 0.480 414 S N -0.974 114.727 115.700 0.001 0.000 2.395 414 S HA -0.155 4.354 4.470 0.064 0.000 0.225 414 S C 2.035 176.486 174.600 -0.248 0.000 1.027 414 S CA 0.998 59.081 58.200 -0.195 0.000 0.965 414 S CB -0.751 62.383 63.200 -0.110 0.000 0.812 414 S HN 0.514 nan 8.310 nan 0.000 0.482 415 Y N 1.815 122.108 120.300 -0.012 0.000 2.242 415 Y HA -0.061 4.524 4.550 0.059 0.000 0.291 415 Y C 3.002 178.619 175.900 -0.472 0.000 1.137 415 Y CA 1.613 59.697 58.100 -0.026 0.000 1.181 415 Y CB -0.885 38.352 38.460 1.296 0.000 0.989 415 Y HN 0.259 nan 8.280 nan 0.000 0.527 416 T N -0.531 113.673 114.554 -0.584 0.000 2.708 416 T HA -0.218 4.170 4.350 0.064 0.000 0.266 416 T C 1.434 175.932 174.700 -0.337 0.000 1.037 416 T CA 1.755 63.586 62.100 -0.449 0.000 1.146 416 T CB -0.452 68.205 68.868 -0.351 0.000 0.865 416 T HN 0.376 nan 8.240 nan 0.000 0.435 417 D N 0.478 120.620 120.400 -0.430 0.000 2.097 417 D HA -0.100 4.579 4.640 0.064 0.000 0.197 417 D C 2.313 178.460 176.300 -0.253 0.000 0.984 417 D CA 1.535 55.303 54.000 -0.387 0.000 0.826 417 D CB -0.500 39.888 40.800 -0.687 0.000 0.973 417 D HN 0.246 nan 8.370 nan 0.000 0.460 418 T N -1.078 113.318 114.554 -0.263 0.000 2.915 418 T HA -0.127 4.262 4.350 0.064 0.000 0.269 418 T C 1.821 176.404 174.700 -0.196 0.000 1.071 418 T CA 1.323 63.310 62.100 -0.188 0.000 1.132 418 T CB -0.212 68.541 68.868 -0.191 0.000 0.878 418 T HN 0.220 nan 8.240 nan 0.000 0.479 419 Q N -0.059 119.560 119.800 -0.302 0.000 2.224 419 Q HA -0.018 4.361 4.340 0.064 0.000 0.203 419 Q C 2.142 177.978 176.000 -0.274 0.000 0.970 419 Q CA 0.895 56.439 55.803 -0.431 0.000 0.865 419 Q CB -0.079 28.112 28.738 -0.911 0.000 0.922 419 Q HN 0.449 nan 8.270 nan 0.000 0.445 420 I N 0.605 121.092 120.570 -0.138 0.000 2.286 420 I HA -0.244 3.964 4.170 0.064 0.000 0.248 420 I C 2.437 178.563 176.117 0.016 0.000 1.115 420 I CA 1.742 63.048 61.300 0.010 0.000 1.392 420 I CB -1.295 36.720 38.000 0.026 0.000 1.065 420 I HN 0.224 nan 8.210 nan 0.000 0.418 421 S N 0.187 115.877 115.700 -0.017 0.000 2.421 421 S HA -0.084 4.424 4.470 0.064 0.000 0.224 421 S C 2.167 176.769 174.600 0.004 0.000 1.035 421 S CA 0.242 58.446 58.200 0.007 0.000 0.953 421 S CB -0.331 62.873 63.200 0.006 0.000 0.810 421 S HN 0.352 nan 8.310 nan 0.000 0.497 422 R N 0.987 121.466 120.500 -0.034 0.000 2.075 422 R HA 0.173 4.551 4.340 0.064 0.000 0.232 422 R C 1.366 177.654 176.300 -0.019 0.000 1.126 422 R CA 1.323 57.405 56.100 -0.030 0.000 0.963 422 R CB -0.251 30.011 30.300 -0.064 0.000 0.858 422 R HN 0.457 nan 8.270 nan 0.000 0.435 423 L N -0.411 120.790 121.223 -0.037 0.000 2.818 423 L HA 0.342 4.720 4.340 0.064 0.000 0.243 423 L C 0.777 177.681 176.870 0.056 0.000 1.185 423 L CA 0.268 55.101 54.840 -0.011 0.000 0.988 423 L CB 1.033 43.072 42.059 -0.033 0.000 1.292 423 L HN 0.561 nan 8.230 nan 0.000 0.519 424 G N 0.001 108.854 108.800 0.089 0.000 2.148 424 G HA2 -0.100 3.899 3.960 0.064 0.000 0.254 424 G HA3 -0.100 3.899 3.960 0.064 0.000 0.254 424 G C 0.451 175.483 174.900 0.219 0.000 0.981 424 G CA 0.046 45.249 45.100 0.172 0.000 0.670 424 G HN 0.816 nan 8.290 nan 0.000 0.528 425 G N -1.686 107.229 108.800 0.192 0.000 2.369 425 G HA2 0.577 4.575 3.960 0.064 0.000 0.293 425 G HA3 0.577 4.575 3.960 0.064 0.000 0.293 425 G C -2.143 172.910 174.900 0.256 0.000 1.301 425 G CA 0.342 45.560 45.100 0.196 0.000 0.913 425 G HN 0.509 nan 8.290 nan 0.000 0.540 426 P HA 0.138 nan 4.420 nan 0.000 0.255 426 P C 0.323 177.631 177.300 0.013 0.000 1.248 426 P CA 0.304 63.498 63.100 0.157 0.000 0.807 426 P CB 0.204 31.960 31.700 0.093 0.000 1.150 427 N N 0.413 119.134 118.700 0.034 0.000 2.327 427 N HA 0.055 4.833 4.740 0.064 0.000 0.231 427 N C 1.073 176.419 175.510 -0.273 0.000 1.130 427 N CA -0.154 52.804 53.050 -0.153 0.000 0.845 427 N CB -0.624 37.813 38.487 -0.084 0.000 1.073 427 N HN 0.257 nan 8.380 nan 0.000 0.496 428 F N 0.983 120.914 119.950 -0.032 0.000 2.333 428 F HA -0.116 4.439 4.527 0.047 0.000 0.300 428 F C 2.198 177.928 175.800 -0.117 0.000 1.083 428 F CA 0.898 58.850 58.000 -0.080 0.000 1.395 428 F CB -0.826 38.150 39.000 -0.041 0.000 1.056 428 F HN 0.178 nan 8.300 nan 0.000 0.529 429 H N 0.251 118.984 119.070 -0.562 0.000 2.546 429 H HA 0.088 4.681 4.556 0.063 0.000 0.277 429 H C 0.915 176.090 175.328 -0.255 0.000 1.004 429 H CA 1.270 57.077 56.048 -0.401 0.000 1.231 429 H CB -0.766 28.612 29.762 -0.640 0.000 1.382 429 H HN 0.525 nan 8.280 nan 0.000 0.580 430 E N 0.924 120.696 120.200 -0.714 0.000 2.442 430 E HA 0.170 4.559 4.350 0.064 0.000 0.195 430 E C 0.308 176.783 176.600 -0.209 0.000 1.030 430 E CA -0.281 55.864 56.400 -0.425 0.000 0.869 430 E CB 0.463 29.916 29.700 -0.412 0.000 0.857 430 E HN 0.417 nan 8.360 nan 0.000 0.505 431 I N 2.675 123.143 120.570 -0.170 0.000 2.668 431 I HA -0.056 4.152 4.170 0.064 0.000 0.285 431 I C -1.615 174.436 176.117 -0.111 0.000 1.168 431 I CA -1.276 59.955 61.300 -0.115 0.000 1.424 431 I CB 0.569 38.514 38.000 -0.092 0.000 1.377 431 I HN -0.186 nan 8.210 nan 0.000 0.560 432 P HA -0.243 nan 4.420 nan 0.000 0.216 432 P C 1.741 178.959 177.300 -0.135 0.000 1.154 432 P CA 1.260 64.296 63.100 -0.106 0.000 0.865 432 P CB 0.177 31.821 31.700 -0.093 0.000 0.789 433 I N -0.798 119.665 120.570 -0.179 0.000 2.454 433 I HA -0.182 4.026 4.170 0.064 0.000 0.254 433 I C 1.298 177.328 176.117 -0.144 0.000 1.156 433 I CA 1.679 62.821 61.300 -0.264 0.000 1.433 433 I CB -0.563 37.168 38.000 -0.449 0.000 1.082 433 I HN -0.106 nan 8.210 nan 0.000 0.432 434 N N 0.686 119.325 118.700 -0.101 0.000 2.422 434 N HA 0.042 4.820 4.740 0.064 0.000 0.181 434 N C 0.237 175.758 175.510 0.019 0.000 1.080 434 N CA 0.226 53.252 53.050 -0.041 0.000 0.893 434 N CB -0.077 38.403 38.487 -0.011 0.000 0.973 434 N HN 0.377 nan 8.380 nan 0.000 0.456 435 R N 1.471 121.977 120.500 0.011 0.000 2.491 435 R HA 0.211 4.589 4.340 0.064 0.000 0.283 435 R C -2.264 174.097 176.300 0.103 0.000 1.072 435 R CA -1.342 54.766 56.100 0.013 0.000 1.048 435 R CB -0.025 30.264 30.300 -0.018 0.000 0.983 435 R HN -0.013 nan 8.270 nan 0.000 0.450 436 P HA -0.034 nan 4.420 nan 0.000 0.269 436 P C 0.588 177.959 177.300 0.118 0.000 1.209 436 P CA 0.153 63.334 63.100 0.134 0.000 0.776 436 P CB 0.675 32.418 31.700 0.072 0.000 0.876 437 T N -2.330 112.305 114.554 0.135 0.000 3.100 437 T HA 0.058 4.446 4.350 0.064 0.000 0.253 437 T C 0.831 175.574 174.700 0.070 0.000 1.118 437 T CA 0.009 62.144 62.100 0.058 0.000 1.058 437 T CB -1.018 67.866 68.868 0.027 0.000 0.953 437 T HN 0.558 nan 8.240 nan 0.000 0.515 438 C N 0.690 120.047 119.300 0.096 0.000 2.345 438 C HA 0.804 5.302 4.460 0.064 0.000 0.370 438 C C -2.583 172.464 174.990 0.096 0.000 1.209 438 C CA -2.686 56.387 59.018 0.092 0.000 2.133 438 C CB 0.257 28.058 27.740 0.100 0.000 2.293 438 C HN 0.141 nan 8.230 nan 0.000 0.544 439 P HA 0.267 nan 4.420 nan 0.000 0.268 439 P C -1.231 176.143 177.300 0.123 0.000 1.204 439 P CA 0.465 63.638 63.100 0.122 0.000 0.768 439 P CB -0.067 31.744 31.700 0.185 0.000 0.842 440 Y N 1.334 121.530 120.300 -0.172 0.000 2.373 440 Y HA 0.664 5.252 4.550 0.064 0.000 0.336 440 Y C -1.309 174.261 175.900 -0.549 0.000 0.979 440 Y CA -0.945 57.025 58.100 -0.216 0.000 1.080 440 Y CB 1.473 39.830 38.460 -0.171 0.000 1.190 440 Y HN 0.438 nan 8.280 nan 0.000 0.446 441 H N 3.986 122.979 119.070 -0.129 0.000 2.966 441 H HA 0.485 5.080 4.556 0.064 0.000 0.347 441 H C -1.223 173.994 175.328 -0.186 0.000 1.048 441 H CA -0.787 55.096 56.048 -0.274 0.000 1.295 441 H CB 1.533 31.157 29.762 -0.230 0.000 1.744 441 H HN 0.896 nan 8.280 nan 0.000 0.513 442 N N 0.512 119.109 118.700 -0.171 0.000 3.378 442 N HA 0.191 4.970 4.740 0.064 0.000 0.294 442 N C -1.150 174.135 175.510 -0.374 0.000 1.544 442 N CA -0.948 51.957 53.050 -0.241 0.000 0.872 442 N CB 0.654 39.153 38.487 0.020 0.000 1.670 442 N HN 0.279 nan 8.380 nan 0.000 0.551 443 F N -0.344 119.648 119.950 0.070 0.000 2.641 443 F HA 0.357 4.918 4.527 0.057 0.000 0.302 443 F C 0.452 176.294 175.800 0.070 0.000 1.098 443 F CA -0.362 57.674 58.000 0.060 0.000 1.318 443 F CB 0.149 39.178 39.000 0.048 0.000 1.035 443 F HN 0.137 nan 8.300 nan 0.000 0.551 444 Q N 1.501 121.409 119.800 0.180 0.000 2.373 444 Q HA 0.425 4.804 4.340 0.064 0.000 0.255 444 Q C 0.053 176.129 176.000 0.126 0.000 0.980 444 Q CA -0.032 55.854 55.803 0.139 0.000 0.882 444 Q CB 1.008 29.803 28.738 0.095 0.000 1.249 444 Q HN 0.094 nan 8.270 nan 0.000 0.438 445 R N 1.498 122.065 120.500 0.112 0.000 2.764 445 R HA 0.344 4.722 4.340 0.064 0.000 0.270 445 R C -0.810 175.538 176.300 0.079 0.000 1.014 445 R CA -0.616 55.542 56.100 0.097 0.000 0.904 445 R CB 1.332 31.692 30.300 0.100 0.000 1.236 445 R HN 0.738 nan 8.270 nan 0.000 0.466 446 D N -0.229 120.210 120.400 0.066 0.000 3.496 446 D HA -0.142 4.536 4.640 0.064 0.000 0.238 446 D C 0.279 176.609 176.300 0.049 0.000 1.707 446 D CA 1.885 55.915 54.000 0.050 0.000 1.150 446 D CB -1.048 39.779 40.800 0.044 0.000 0.759 446 D HN 0.907 nan 8.370 nan 0.000 0.936 447 G N -1.270 107.553 108.800 0.037 0.000 2.705 447 G HA2 0.219 4.218 3.960 0.064 0.000 0.686 447 G HA3 0.219 4.218 3.960 0.064 0.000 0.686 447 G C -0.223 174.687 174.900 0.017 0.000 1.285 447 G CA 0.050 45.173 45.100 0.038 0.000 0.800 447 G HN 0.809 nan 8.290 nan 0.000 0.611 448 M N 1.443 121.041 119.600 -0.004 0.000 2.252 448 M HA 0.419 4.937 4.480 0.064 0.000 0.329 448 M C 1.290 177.568 176.300 -0.036 0.000 1.101 448 M CA 1.210 56.438 55.300 -0.119 0.000 1.117 448 M CB -0.583 31.904 32.600 -0.188 0.000 1.563 448 M HN 1.233 nan 8.290 nan 0.000 0.445 449 H N -0.077 118.996 119.070 0.005 0.000 2.626 449 H HA -0.190 4.403 4.556 0.061 0.000 0.317 449 H C -0.471 174.846 175.328 -0.018 0.000 1.140 449 H CA 0.670 56.717 56.048 -0.003 0.000 1.134 449 H CB -1.623 28.138 29.762 -0.002 0.000 1.486 449 H HN 0.536 nan 8.280 nan 0.000 0.417 450 R N 1.366 121.907 120.500 0.067 0.000 2.351 450 R HA 0.072 4.451 4.340 0.064 0.000 0.318 450 R C 0.928 177.245 176.300 0.028 0.000 1.055 450 R CA 0.004 56.127 56.100 0.039 0.000 0.968 450 R CB 0.288 30.608 30.300 0.033 0.000 0.974 450 R HN 0.333 nan 8.270 nan 0.000 0.439 451 M N 2.592 122.196 119.600 0.006 0.000 2.299 451 M HA 0.185 4.703 4.480 0.064 0.000 0.264 451 M C 0.990 177.289 176.300 -0.001 0.000 1.095 451 M CA 1.061 56.360 55.300 -0.002 0.000 1.165 451 M CB -0.915 31.668 32.600 -0.027 0.000 1.349 451 M HN 0.698 nan 8.290 nan 0.000 0.446 452 G N 1.934 110.737 108.800 0.004 0.000 2.313 452 G HA2 0.325 4.323 3.960 0.064 0.000 0.250 452 G HA3 0.325 4.323 3.960 0.064 0.000 0.250 452 G C -0.375 174.524 174.900 -0.002 0.000 1.281 452 G CA -0.300 44.798 45.100 -0.002 0.000 0.917 452 G HN 0.331 nan 8.290 nan 0.000 0.501 453 I N 2.899 123.461 120.570 -0.013 0.000 2.306 453 I HA 0.102 4.310 4.170 0.064 0.000 0.288 453 I C -0.230 175.879 176.117 -0.012 0.000 1.036 453 I CA -0.518 60.779 61.300 -0.005 0.000 1.221 453 I CB 1.001 38.999 38.000 -0.004 0.000 1.385 453 I HN 0.367 nan 8.210 nan 0.000 0.472 454 D N 4.819 125.217 120.400 -0.004 0.000 2.351 454 D HA 0.081 4.759 4.640 0.064 0.000 0.251 454 D C 1.126 177.429 176.300 0.006 0.000 1.137 454 D CA 0.229 54.224 54.000 -0.007 0.000 0.879 454 D CB 1.778 42.582 40.800 0.006 0.000 1.181 454 D HN 0.563 nan 8.370 nan 0.000 0.448 455 T N -0.928 113.625 114.554 -0.002 0.000 3.069 455 T HA -0.048 4.340 4.350 0.064 0.000 0.252 455 T C 0.831 175.541 174.700 0.017 0.000 1.053 455 T CA -0.557 61.546 62.100 0.006 0.000 0.964 455 T CB 0.154 69.019 68.868 -0.005 0.000 1.005 455 T HN 0.110 nan 8.240 nan 0.000 0.532 456 N N 3.681 122.393 118.700 0.019 0.000 2.414 456 N HA 0.069 4.847 4.740 0.064 0.000 0.268 456 N C -1.498 174.055 175.510 0.071 0.000 1.286 456 N CA -1.513 51.562 53.050 0.041 0.000 0.896 456 N CB 1.391 39.902 38.487 0.040 0.000 1.093 456 N HN 0.106 nan 8.380 nan 0.000 0.480 457 P HA -0.044 nan 4.420 nan 0.000 0.221 457 P C -0.439 176.926 177.300 0.109 0.000 1.145 457 P CA 0.892 64.041 63.100 0.081 0.000 0.795 457 P CB 0.199 31.941 31.700 0.070 0.000 0.775 458 A N 0.868 123.747 122.820 0.098 0.000 2.305 458 A HA 0.416 4.774 4.320 0.064 0.000 0.322 458 A C 0.504 178.205 177.584 0.195 0.000 1.187 458 A CA -0.709 51.348 52.037 0.033 0.000 0.825 458 A CB 0.015 18.878 19.000 -0.229 0.000 1.164 458 A HN 0.271 nan 8.150 nan 0.000 0.498 459 N N 0.502 119.351 118.700 0.248 0.000 2.338 459 N HA 0.372 5.151 4.740 0.064 0.000 0.251 459 N C -0.913 174.766 175.510 0.281 0.000 1.199 459 N CA -0.367 52.907 53.050 0.373 0.000 0.879 459 N CB 0.296 38.951 38.487 0.280 0.000 1.159 459 N HN 0.683 nan 8.380 nan 0.000 0.514 460 Y N -1.216 118.960 120.300 -0.207 0.000 2.609 460 Y HA 0.648 5.234 4.550 0.060 0.000 0.336 460 Y C -1.510 173.803 175.900 -0.979 0.000 1.129 460 Y CA -1.359 56.456 58.100 -0.475 0.000 1.040 460 Y CB 1.006 39.341 38.460 -0.208 0.000 1.310 460 Y HN 0.087 nan 8.280 nan 0.000 0.460 461 E N 1.148 120.854 120.200 -0.823 0.000 2.383 461 E HA 0.656 5.044 4.350 0.064 0.000 0.275 461 E C -3.135 173.351 176.600 -0.190 0.000 0.918 461 E CA -2.094 53.935 56.400 -0.618 0.000 0.764 461 E CB 1.577 30.835 29.700 -0.735 0.000 1.252 461 E HN 0.577 nan 8.360 nan 0.000 0.449 462 P HA 0.235 nan 4.420 nan 0.000 0.271 462 P C -1.271 175.969 177.300 -0.101 0.000 1.216 462 P CA -0.369 62.657 63.100 -0.124 0.000 0.776 462 P CB 0.430 32.094 31.700 -0.059 0.000 0.881 463 N N -1.008 117.551 118.700 -0.234 0.000 2.240 463 N HA 0.334 5.112 4.740 0.064 0.000 0.302 463 N C 0.395 175.850 175.510 -0.092 0.000 1.106 463 N CA -0.770 52.150 53.050 -0.218 0.000 0.778 463 N CB 1.576 39.646 38.487 -0.696 0.000 1.431 463 N HN 0.194 nan 8.380 nan 0.000 0.479 464 S N 0.927 116.625 115.700 -0.004 0.000 2.492 464 S HA -0.018 4.490 4.470 0.064 0.000 0.218 464 S C 1.574 176.186 174.600 0.020 0.000 1.016 464 S CA 0.063 58.265 58.200 0.004 0.000 0.916 464 S CB -0.804 62.411 63.200 0.025 0.000 0.791 464 S HN 0.718 nan 8.310 nan 0.000 0.513 465 I N -0.615 119.975 120.570 0.033 0.000 2.830 465 I HA 0.206 4.414 4.170 0.064 0.000 0.263 465 I C 1.350 177.499 176.117 0.053 0.000 1.230 465 I CA 1.297 62.629 61.300 0.055 0.000 1.480 465 I CB -0.397 37.657 38.000 0.090 0.000 1.095 465 I HN 0.180 nan 8.210 nan 0.000 0.455 466 N N 1.166 119.893 118.700 0.044 0.000 2.291 466 N HA 0.032 4.810 4.740 0.064 0.000 0.244 466 N C -0.026 175.586 175.510 0.170 0.000 1.216 466 N CA -0.040 53.076 53.050 0.110 0.000 0.879 466 N CB -0.019 38.548 38.487 0.133 0.000 1.167 466 N HN 0.206 nan 8.380 nan 0.000 0.515 467 D N 0.729 121.180 120.400 0.084 0.000 2.751 467 D HA -0.264 4.415 4.640 0.064 0.000 0.233 467 D C -0.064 176.129 176.300 -0.178 0.000 1.149 467 D CA 1.119 55.134 54.000 0.025 0.000 0.682 467 D CB -1.336 39.554 40.800 0.150 0.000 1.068 467 D HN 0.490 nan 8.370 nan 0.000 0.429 468 N N -1.859 116.767 118.700 -0.124 0.000 2.828 468 N HA -0.244 4.535 4.740 0.064 0.000 0.248 468 N C -0.776 174.657 175.510 -0.128 0.000 1.044 468 N CA 1.375 54.317 53.050 -0.179 0.000 0.851 468 N CB -1.357 36.971 38.487 -0.265 0.000 1.136 468 N HN 0.533 nan 8.380 nan 0.000 0.572 469 W N 1.287 122.643 121.300 0.093 0.000 2.313 469 W HA 0.413 5.111 4.660 0.062 0.000 0.328 469 W C -1.658 174.907 176.519 0.076 0.000 1.197 469 W CA -1.567 55.815 57.345 0.062 0.000 1.235 469 W CB 0.575 30.020 29.460 -0.025 0.000 1.158 469 W HN -0.030 nan 8.180 nan 0.000 0.578 470 P HA 0.187 nan 4.420 nan 0.000 0.275 470 P C -0.726 176.706 177.300 0.219 0.000 1.227 470 P CA -0.167 63.066 63.100 0.222 0.000 0.781 470 P CB 0.930 32.614 31.700 -0.027 0.000 0.906 471 R N 1.514 122.113 120.500 0.165 0.000 2.428 471 R HA 0.282 4.660 4.340 0.064 0.000 0.294 471 R C 0.392 176.722 176.300 0.050 0.000 1.000 471 R CA -0.765 55.313 56.100 -0.037 0.000 0.960 471 R CB 0.923 30.981 30.300 -0.403 0.000 1.076 471 R HN 0.492 nan 8.270 nan 0.000 0.475 472 E N 0.912 121.135 120.200 0.038 0.000 2.508 472 E HA -0.049 4.339 4.350 0.064 0.000 0.266 472 E C -0.501 176.120 176.600 0.035 0.000 1.010 472 E CA 0.843 57.272 56.400 0.049 0.000 0.955 472 E CB 0.480 30.198 29.700 0.030 0.000 0.946 472 E HN 0.369 nan 8.360 nan 0.000 0.454 473 T N 3.902 118.489 114.554 0.055 0.000 2.840 473 T HA 0.333 4.721 4.350 0.064 0.000 0.287 473 T C -2.402 172.323 174.700 0.040 0.000 0.991 473 T CA -1.523 60.608 62.100 0.052 0.000 0.964 473 T CB 1.500 70.412 68.868 0.072 0.000 0.954 473 T HN 0.235 nan 8.240 nan 0.000 0.438 474 P HA 0.224 nan 4.420 nan 0.000 0.270 474 P C -2.437 174.870 177.300 0.012 0.000 1.223 474 P CA -1.138 61.970 63.100 0.014 0.000 0.785 474 P CB -0.214 31.489 31.700 0.005 0.000 0.923 475 P HA 0.310 nan 4.420 nan 0.000 0.272 475 P C -0.064 177.224 177.300 -0.019 0.000 1.223 475 P CA 0.301 63.388 63.100 -0.023 0.000 0.784 475 P CB 0.851 32.517 31.700 -0.056 0.000 0.923 476 G N 0.973 109.760 108.800 -0.021 0.000 2.427 476 G HA2 0.353 4.351 3.960 0.064 0.000 0.306 476 G HA3 0.353 4.351 3.960 0.064 0.000 0.306 476 G C -2.581 172.307 174.900 -0.019 0.000 1.280 476 G CA -0.663 44.426 45.100 -0.017 0.000 0.837 476 G HN 0.108 nan 8.290 nan 0.000 0.482 477 P HA 0.129 nan 4.420 nan 0.000 0.218 477 P C 0.240 177.535 177.300 -0.008 0.000 1.149 477 P CA 1.162 64.253 63.100 -0.015 0.000 0.817 477 P CB 0.181 31.874 31.700 -0.011 0.000 0.785 478 K N -1.695 118.707 120.400 0.003 0.000 2.527 478 K HA 0.389 4.747 4.320 0.064 0.000 0.260 478 K C -0.232 176.383 176.600 0.025 0.000 0.937 478 K CA -0.863 55.432 56.287 0.014 0.000 0.826 478 K CB 1.834 34.344 32.500 0.017 0.000 1.359 478 K HN -0.341 nan 8.250 nan 0.000 0.434 479 R N -0.343 120.180 120.500 0.038 0.000 3.758 479 R HA -0.150 4.228 4.340 0.064 0.000 0.299 479 R C -0.063 176.267 176.300 0.050 0.000 1.182 479 R CA 1.007 57.136 56.100 0.049 0.000 0.809 479 R CB -2.049 28.279 30.300 0.048 0.000 1.249 479 R HN 0.935 nan 8.270 nan 0.000 0.497 480 G N -0.838 107.986 108.800 0.041 0.000 2.488 480 G HA2 0.606 4.604 3.960 0.064 0.000 0.318 480 G HA3 0.606 4.604 3.960 0.064 0.000 0.318 480 G C 0.336 175.269 174.900 0.055 0.000 1.188 480 G CA 0.086 45.208 45.100 0.037 0.000 0.944 480 G HN 0.236 nan 8.290 nan 0.000 0.495 481 G N -1.168 107.666 108.800 0.057 0.000 2.544 481 G HA2 0.382 4.381 3.960 0.064 0.000 0.242 481 G HA3 0.382 4.381 3.960 0.064 0.000 0.242 481 G C -0.541 174.413 174.900 0.091 0.000 1.247 481 G CA -0.498 44.656 45.100 0.091 0.000 0.840 481 G HN 0.454 nan 8.290 nan 0.000 0.578 482 F N 0.631 120.598 119.950 0.028 0.000 2.504 482 F HA 0.331 4.900 4.527 0.069 0.000 0.369 482 F C 0.626 176.442 175.800 0.027 0.000 1.082 482 F CA -0.057 57.956 58.000 0.022 0.000 1.216 482 F CB 0.771 39.788 39.000 0.028 0.000 1.108 482 F HN 0.455 nan 8.300 nan 0.000 0.554 483 E N 4.183 124.043 120.200 -0.566 0.000 2.234 483 E HA 0.307 4.696 4.350 0.064 0.000 0.266 483 E C -1.071 175.217 176.600 -0.519 0.000 0.877 483 E CA -0.800 55.410 56.400 -0.317 0.000 0.758 483 E CB 1.485 31.078 29.700 -0.177 0.000 1.170 483 E HN 0.604 nan 8.360 nan 0.000 0.415 484 S N 2.686 118.305 115.700 -0.134 0.000 2.562 484 S HA -0.024 4.484 4.470 0.064 0.000 0.281 484 S C -0.515 174.071 174.600 -0.023 0.000 1.333 484 S CA -0.294 57.904 58.200 -0.004 0.000 1.052 484 S CB 0.076 63.395 63.200 0.199 0.000 0.884 484 S HN 0.471 nan 8.310 nan 0.000 0.506 485 Y N 2.831 123.065 120.300 -0.110 0.000 2.721 485 Y HA -0.057 4.530 4.550 0.063 0.000 0.329 485 Y C 0.882 176.764 175.900 -0.030 0.000 1.211 485 Y CA 0.180 58.229 58.100 -0.086 0.000 1.512 485 Y CB 0.091 38.500 38.460 -0.085 0.000 1.249 485 Y HN 0.584 nan 8.280 nan 0.000 0.549 486 Q N 5.404 124.853 119.800 -0.584 0.000 3.184 486 Q HA 0.010 4.388 4.340 0.064 0.000 0.288 486 Q C -0.123 175.564 176.000 -0.523 0.000 1.412 486 Q CA -0.041 55.511 55.803 -0.419 0.000 0.991 486 Q CB -0.204 28.360 28.738 -0.289 0.000 1.688 486 Q HN 0.652 nan 8.270 nan 0.000 0.554 487 E N 1.469 121.447 120.200 -0.369 0.000 2.413 487 E HA -0.018 4.370 4.350 0.064 0.000 0.263 487 E C -0.238 176.322 176.600 -0.067 0.000 1.015 487 E CA -0.424 55.889 56.400 -0.144 0.000 0.916 487 E CB 0.649 30.416 29.700 0.112 0.000 0.947 487 E HN 0.142 nan 8.360 nan 0.000 0.440 488 R N 3.109 123.595 120.500 -0.024 0.000 2.347 488 R HA 0.212 4.590 4.340 0.064 0.000 0.304 488 R C -1.465 174.857 176.300 0.036 0.000 1.072 488 R CA -0.220 55.880 56.100 0.001 0.000 0.980 488 R CB 0.821 31.128 30.300 0.010 0.000 0.986 488 R HN 0.294 nan 8.270 nan 0.000 0.448 489 V N 5.096 125.025 119.914 0.024 0.000 2.448 489 V HA 0.422 4.580 4.120 0.064 0.000 0.295 489 V C -0.524 175.582 176.094 0.021 0.000 1.025 489 V CA -0.559 61.759 62.300 0.031 0.000 0.859 489 V CB 1.626 33.464 31.823 0.024 0.000 0.988 489 V HN 0.833 nan 8.190 nan 0.000 0.431 490 E N 2.978 123.192 120.200 0.024 0.000 2.317 490 E HA 0.666 5.055 4.350 0.064 0.000 0.270 490 E C -0.176 176.431 176.600 0.011 0.000 0.899 490 E CA -0.411 55.998 56.400 0.014 0.000 0.814 490 E CB 2.240 31.949 29.700 0.015 0.000 1.296 490 E HN 0.974 nan 8.360 nan 0.000 0.404 491 G N 2.363 111.165 108.800 0.003 0.000 2.338 491 G HA2 0.177 4.176 3.960 0.064 0.000 0.295 491 G HA3 0.177 4.176 3.960 0.064 0.000 0.295 491 G C -1.454 173.441 174.900 -0.009 0.000 1.461 491 G CA -1.027 44.071 45.100 -0.003 0.000 0.817 491 G HN 0.339 nan 8.290 nan 0.000 0.556 492 N N -0.020 118.671 118.700 -0.013 0.000 2.476 492 N HA 0.437 5.215 4.740 0.064 0.000 0.275 492 N C -0.230 175.268 175.510 -0.021 0.000 1.190 492 N CA -0.557 52.484 53.050 -0.016 0.000 0.977 492 N CB 0.953 39.430 38.487 -0.017 0.000 1.200 492 N HN 0.423 nan 8.380 nan 0.000 0.515 493 K N 0.994 121.380 120.400 -0.022 0.000 2.351 493 K HA 0.189 4.547 4.320 0.064 0.000 0.287 493 K C -0.747 175.832 176.600 -0.035 0.000 1.068 493 K CA -0.171 56.099 56.287 -0.028 0.000 0.998 493 K CB -0.235 32.250 32.500 -0.026 0.000 0.968 493 K HN 0.357 nan 8.250 nan 0.000 0.464 494 V N 0.340 120.228 119.914 -0.044 0.000 2.841 494 V HA 0.464 4.623 4.120 0.064 0.000 0.310 494 V C -0.552 175.501 176.094 -0.068 0.000 1.090 494 V CA -1.340 60.929 62.300 -0.051 0.000 0.930 494 V CB 1.973 33.768 31.823 -0.048 0.000 1.014 494 V HN 0.619 nan 8.190 nan 0.000 0.425 495 R N 2.505 122.960 120.500 -0.074 0.000 2.391 495 R HA 0.603 4.982 4.340 0.064 0.000 0.310 495 R C -0.442 175.807 176.300 -0.086 0.000 1.174 495 R CA -0.111 55.931 56.100 -0.097 0.000 1.118 495 R CB 0.763 30.990 30.300 -0.120 0.000 1.134 495 R HN 0.925 nan 8.270 nan 0.000 0.524 496 E N 1.985 122.130 120.200 -0.091 0.000 2.321 496 E HA 0.236 4.625 4.350 0.064 0.000 0.278 496 E C -1.266 175.262 176.600 -0.119 0.000 0.902 496 E CA -1.042 55.307 56.400 -0.084 0.000 0.758 496 E CB 1.690 31.349 29.700 -0.069 0.000 1.213 496 E HN 0.128 nan 8.360 nan 0.000 0.426 497 R N 1.555 121.991 120.500 -0.107 0.000 2.390 497 R HA 0.214 4.592 4.340 0.064 0.000 0.291 497 R C -0.548 175.642 176.300 -0.183 0.000 1.070 497 R CA 0.053 56.054 56.100 -0.166 0.000 1.014 497 R CB 1.207 31.469 30.300 -0.063 0.000 1.007 497 R HN 0.376 nan 8.270 nan 0.000 0.466 498 S N 5.043 120.531 115.700 -0.353 0.000 2.537 498 S HA 0.108 4.617 4.470 0.064 0.000 0.286 498 S C -1.514 173.078 174.600 -0.013 0.000 1.299 498 S CA -1.159 56.928 58.200 -0.187 0.000 1.067 498 S CB 0.647 63.708 63.200 -0.232 0.000 0.864 498 S HN 0.543 nan 8.310 nan 0.000 0.494 499 P HA -0.142 nan 4.420 nan 0.000 0.217 499 P C 1.538 178.897 177.300 0.097 0.000 1.148 499 P CA 1.518 64.648 63.100 0.050 0.000 0.834 499 P CB -0.110 31.609 31.700 0.032 0.000 0.783 500 S N -2.310 113.489 115.700 0.165 0.000 2.474 500 S HA -0.109 4.399 4.470 0.064 0.000 0.235 500 S C 1.477 176.218 174.600 0.235 0.000 0.997 500 S CA 0.811 59.127 58.200 0.194 0.000 0.949 500 S CB -1.384 61.964 63.200 0.246 0.000 0.766 500 S HN -0.007 nan 8.310 nan 0.000 0.517 501 F N 2.337 122.270 119.950 -0.029 0.000 2.780 501 F HA 0.360 4.926 4.527 0.064 0.000 0.299 501 F C 1.970 177.685 175.800 -0.142 0.000 1.146 501 F CA -0.628 57.348 58.000 -0.040 0.000 1.428 501 F CB -0.566 38.443 39.000 0.015 0.000 1.115 501 F HN 0.360 nan 8.300 nan 0.000 0.583 502 G N 0.336 109.111 108.800 -0.041 0.000 3.709 502 G HA2 0.114 4.112 3.960 0.064 0.000 0.272 502 G HA3 0.114 4.112 3.960 0.064 0.000 0.272 502 G C -0.093 174.361 174.900 -0.744 0.000 1.259 502 G CA 0.055 44.956 45.100 -0.333 0.000 1.512 502 G HN 0.047 nan 8.290 nan 0.000 0.625 503 E N 0.080 119.772 120.200 -0.847 0.000 2.275 503 E HA 0.361 4.750 4.350 0.064 0.000 0.270 503 E C -0.906 175.263 176.600 -0.718 0.000 0.882 503 E CA -0.729 55.243 56.400 -0.713 0.000 0.758 503 E CB 1.679 31.218 29.700 -0.268 0.000 1.195 503 E HN 0.205 nan 8.360 nan 0.000 0.419 504 Y N 2.371 122.468 120.300 -0.338 0.000 2.499 504 Y HA 0.193 4.781 4.550 0.064 0.000 0.253 504 Y C 0.712 176.346 175.900 -0.443 0.000 1.105 504 Y CA -0.146 57.663 58.100 -0.484 0.000 1.240 504 Y CB 0.403 38.419 38.460 -0.740 0.000 1.289 504 Y HN 0.423 nan 8.280 nan 0.000 0.534 505 Y N -1.126 119.260 120.300 0.143 0.000 2.535 505 Y HA 0.079 4.668 4.550 0.065 0.000 0.264 505 Y C 2.430 178.390 175.900 0.101 0.000 1.087 505 Y CA 0.248 58.426 58.100 0.130 0.000 1.285 505 Y CB -0.348 38.195 38.460 0.139 0.000 1.200 505 Y HN 0.055 nan 8.280 nan 0.000 0.514 506 S N -0.744 115.087 115.700 0.218 0.000 2.383 506 S HA -0.177 4.332 4.470 0.064 0.000 0.227 506 S C 1.627 176.292 174.600 0.108 0.000 1.026 506 S CA 1.391 59.698 58.200 0.178 0.000 0.981 506 S CB -0.778 62.532 63.200 0.184 0.000 0.818 506 S HN 0.521 nan 8.310 nan 0.000 0.472 507 H N 2.523 121.507 119.070 -0.144 0.000 2.357 507 H HA 0.049 4.643 4.556 0.064 0.000 0.301 507 H C -0.492 174.620 175.328 -0.360 0.000 1.082 507 H CA 1.466 57.276 56.048 -0.397 0.000 1.342 507 H CB -1.356 27.956 29.762 -0.750 0.000 1.389 507 H HN 0.408 nan 8.280 nan 0.000 0.511 508 P HA -0.182 nan 4.420 nan 0.000 0.216 508 P C 1.660 179.140 177.300 0.302 0.000 1.153 508 P CA 1.506 64.751 63.100 0.242 0.000 0.858 508 P CB -0.127 31.743 31.700 0.284 0.000 0.789 509 R N -0.372 120.255 120.500 0.211 0.000 2.073 509 R HA -0.143 4.236 4.340 0.064 0.000 0.234 509 R C 2.178 178.604 176.300 0.210 0.000 1.134 509 R CA 1.289 57.518 56.100 0.216 0.000 0.952 509 R CB -1.147 29.242 30.300 0.149 0.000 0.850 509 R HN 0.056 nan 8.270 nan 0.000 0.433 510 L N 0.515 121.802 121.223 0.107 0.000 2.042 510 L HA -0.162 4.217 4.340 0.064 0.000 0.210 510 L C 2.021 178.941 176.870 0.082 0.000 1.076 510 L CA 1.821 56.688 54.840 0.044 0.000 0.749 510 L CB -0.760 41.250 42.059 -0.081 0.000 0.893 510 L HN 0.271 nan 8.230 nan 0.000 0.432 511 F N -0.720 119.252 119.950 0.037 0.000 2.102 511 F HA -0.271 4.295 4.527 0.065 0.000 0.298 511 F C 2.334 178.131 175.800 -0.005 0.000 1.105 511 F CA 2.174 60.171 58.000 -0.006 0.000 1.239 511 F CB -0.688 38.333 39.000 0.034 0.000 0.991 511 F HN 0.396 nan 8.300 nan 0.000 0.474 512 W N 1.409 122.683 121.300 -0.043 0.000 2.318 512 W HA -0.252 4.446 4.660 0.064 0.000 0.313 512 W C 1.670 178.060 176.519 -0.215 0.000 1.221 512 W CA 1.867 59.139 57.345 -0.121 0.000 1.266 512 W CB -0.707 28.777 29.460 0.041 0.000 1.150 512 W HN 0.091 nan 8.180 nan 0.000 0.496 513 L N 1.077 122.224 121.223 -0.128 0.000 2.465 513 L HA -0.119 4.259 4.340 0.064 0.000 0.224 513 L C 2.296 178.972 176.870 -0.324 0.000 1.145 513 L CA 0.893 55.584 54.840 -0.249 0.000 0.834 513 L CB -0.580 41.459 42.059 -0.034 0.000 0.944 513 L HN -0.141 nan 8.230 nan 0.000 0.451 514 S N -1.496 113.992 115.700 -0.352 0.000 2.558 514 S HA 0.064 4.573 4.470 0.064 0.000 0.217 514 S C 0.709 175.026 174.600 -0.473 0.000 0.975 514 S CA 0.015 58.008 58.200 -0.344 0.000 0.912 514 S CB 0.064 63.095 63.200 -0.282 0.000 0.776 514 S HN 0.295 nan 8.310 nan 0.000 0.526 515 Q N 2.342 121.752 119.800 -0.650 0.000 2.299 515 Q HA 0.262 4.640 4.340 0.064 0.000 0.246 515 Q C 0.637 176.249 176.000 -0.647 0.000 0.935 515 Q CA -0.078 55.305 55.803 -0.700 0.000 0.887 515 Q CB 0.351 28.600 28.738 -0.816 0.000 1.223 515 Q HN 0.429 nan 8.270 nan 0.000 0.439 516 T N -1.521 112.620 114.554 -0.689 0.000 2.748 516 T HA 0.121 4.509 4.350 0.064 0.000 0.304 516 T C -1.702 172.554 174.700 -0.741 0.000 1.041 516 T CA -1.223 60.443 62.100 -0.724 0.000 1.033 516 T CB 0.268 68.495 68.868 -1.068 0.000 0.995 516 T HN 0.238 nan 8.240 nan 0.000 0.536 517 P HA -0.026 nan 4.420 nan 0.000 0.215 517 P C 1.428 178.517 177.300 -0.351 0.000 1.153 517 P CA 1.076 63.959 63.100 -0.362 0.000 0.853 517 P CB -0.282 31.321 31.700 -0.162 0.000 0.788 518 F N -0.040 119.702 119.950 -0.348 0.000 2.259 518 F HA 0.038 4.603 4.527 0.064 0.000 0.298 518 F C 1.785 177.189 175.800 -0.661 0.000 1.088 518 F CA 0.865 58.586 58.000 -0.465 0.000 1.358 518 F CB -1.560 37.151 39.000 -0.481 0.000 1.040 518 F HN -0.092 nan 8.300 nan 0.000 0.505 519 E N 0.523 120.128 120.200 -0.993 0.000 2.107 519 E HA -0.179 4.209 4.350 0.064 0.000 0.191 519 E C 2.207 178.598 176.600 -0.347 0.000 0.982 519 E CA 1.172 57.208 56.400 -0.607 0.000 0.809 519 E CB -0.236 29.077 29.700 -0.644 0.000 0.756 519 E HN 0.614 nan 8.360 nan 0.000 0.459 520 Q N 0.508 120.027 119.800 -0.468 0.000 2.061 520 Q HA -0.208 4.170 4.340 0.064 0.000 0.204 520 Q C 2.295 178.319 176.000 0.040 0.000 0.984 520 Q CA 1.315 56.888 55.803 -0.384 0.000 0.846 520 Q CB -0.224 28.012 28.738 -0.837 0.000 0.902 520 Q HN 0.142 nan 8.270 nan 0.000 0.421 521 R N 0.282 120.782 120.500 0.000 0.000 2.096 521 R HA -0.222 4.156 4.340 0.064 0.000 0.240 521 R C 1.857 178.338 176.300 0.302 0.000 1.139 521 R CA 1.997 58.191 56.100 0.157 0.000 0.952 521 R CB -0.286 30.088 30.300 0.123 0.000 0.854 521 R HN 0.510 nan 8.270 nan 0.000 0.436 522 H N -0.485 118.672 119.070 0.146 0.000 2.389 522 H HA -0.070 4.525 4.556 0.064 0.000 0.299 522 H C 2.280 177.715 175.328 0.178 0.000 1.081 522 H CA 1.217 57.365 56.048 0.167 0.000 1.345 522 H CB 0.001 29.867 29.762 0.173 0.000 1.393 522 H HN 0.236 nan 8.280 nan 0.000 0.520 523 I N 0.261 121.038 120.570 0.345 0.000 2.127 523 I HA -0.288 3.920 4.170 0.064 0.000 0.241 523 I C 2.374 178.769 176.117 0.463 0.000 1.075 523 I CA 0.992 62.527 61.300 0.392 0.000 1.334 523 I CB -0.249 38.077 38.000 0.543 0.000 1.040 523 I HN 0.073 nan 8.210 nan 0.000 0.405 524 V N 0.815 121.005 119.914 0.462 0.000 2.324 524 V HA -0.337 3.821 4.120 0.064 0.000 0.250 524 V C 2.041 178.312 176.094 0.294 0.000 1.060 524 V CA 2.160 64.684 62.300 0.374 0.000 1.042 524 V CB -0.692 31.308 31.823 0.295 0.000 0.650 524 V HN 0.429 nan 8.190 nan 0.000 0.450 525 D N 0.239 120.791 120.400 0.255 0.000 2.178 525 D HA -0.079 4.599 4.640 0.064 0.000 0.202 525 D C 2.152 178.524 176.300 0.120 0.000 0.974 525 D CA 1.451 55.565 54.000 0.190 0.000 0.841 525 D CB -0.499 40.413 40.800 0.187 0.000 0.953 525 D HN 0.482 nan 8.370 nan 0.000 0.478 526 G N 0.025 108.873 108.800 0.080 0.000 2.414 526 G HA2 -0.240 3.759 3.960 0.064 0.000 0.215 526 G HA3 -0.240 3.759 3.960 0.064 0.000 0.215 526 G C 1.447 176.342 174.900 -0.009 0.000 1.188 526 G CA 0.136 45.188 45.100 -0.079 0.000 0.783 526 G HN 0.157 nan 8.290 nan 0.000 0.537 527 F N 1.946 121.932 119.950 0.059 0.000 2.126 527 F HA -0.104 4.461 4.527 0.064 0.000 0.299 527 F C 3.171 178.888 175.800 -0.139 0.000 1.096 527 F CA 1.675 59.642 58.000 -0.054 0.000 1.255 527 F CB -0.342 38.637 39.000 -0.035 0.000 0.997 527 F HN 0.093 nan 8.300 nan 0.000 0.479 528 S N -0.215 115.586 115.700 0.168 0.000 2.355 528 S HA -0.198 4.311 4.470 0.064 0.000 0.222 528 S C 1.874 176.498 174.600 0.040 0.000 1.031 528 S CA 1.163 59.406 58.200 0.071 0.000 0.993 528 S CB -0.836 62.425 63.200 0.103 0.000 0.859 528 S HN 0.392 nan 8.310 nan 0.000 0.453 529 F N 2.714 122.625 119.950 -0.064 0.000 2.069 529 F HA -0.143 4.422 4.527 0.064 0.000 0.298 529 F C 2.369 178.107 175.800 -0.103 0.000 1.113 529 F CA 1.608 59.560 58.000 -0.081 0.000 1.214 529 F CB -0.288 38.602 39.000 -0.182 0.000 0.978 529 F HN 0.140 nan 8.300 nan 0.000 0.474 530 E N 0.556 120.757 120.200 0.003 0.000 2.051 530 E HA -0.218 4.170 4.350 0.064 0.000 0.192 530 E C 2.379 178.790 176.600 -0.315 0.000 0.991 530 E CA 1.693 58.049 56.400 -0.073 0.000 0.799 530 E CB -0.588 29.204 29.700 0.154 0.000 0.748 530 E HN 0.476 nan 8.360 nan 0.000 0.449 531 L N 1.426 122.381 121.223 -0.447 0.000 2.201 531 L HA -0.141 4.237 4.340 0.064 0.000 0.212 531 L C 2.759 179.473 176.870 -0.260 0.000 1.105 531 L CA 1.159 55.721 54.840 -0.463 0.000 0.775 531 L CB -0.490 41.310 42.059 -0.431 0.000 0.913 531 L HN 0.156 nan 8.230 nan 0.000 0.440 532 S N -0.473 115.090 115.700 -0.228 0.000 2.447 532 S HA -0.118 4.390 4.470 0.064 0.000 0.233 532 S C 1.757 176.248 174.600 -0.181 0.000 1.006 532 S CA 0.616 58.707 58.200 -0.182 0.000 0.957 532 S CB -0.133 62.964 63.200 -0.173 0.000 0.773 532 S HN 0.338 nan 8.310 nan 0.000 0.507 533 K N 1.157 121.423 120.400 -0.222 0.000 2.444 533 K HA 0.259 4.618 4.320 0.064 0.000 0.193 533 K C -0.010 176.583 176.600 -0.011 0.000 1.024 533 K CA 0.038 56.250 56.287 -0.124 0.000 1.077 533 K CB 0.014 32.429 32.500 -0.141 0.000 0.833 533 K HN 0.316 nan 8.250 nan 0.000 0.517 534 V N 2.224 122.113 119.914 -0.041 0.000 2.455 534 V HA -0.021 4.138 4.120 0.064 0.000 0.273 534 V C 1.756 177.836 176.094 -0.023 0.000 1.045 534 V CA -0.016 62.285 62.300 0.003 0.000 0.976 534 V CB 1.334 33.135 31.823 -0.037 0.000 0.993 534 V HN -0.099 nan 8.190 nan 0.000 0.475 535 V N 5.310 125.231 119.914 0.011 0.000 2.453 535 V HA -0.044 4.114 4.120 0.064 0.000 0.247 535 V C 1.314 177.387 176.094 -0.034 0.000 1.048 535 V CA 1.342 63.644 62.300 0.003 0.000 1.049 535 V CB -0.383 31.460 31.823 0.034 0.000 0.672 535 V HN 0.768 nan 8.190 nan 0.000 0.457 536 R N 0.709 121.156 120.500 -0.088 0.000 2.210 536 R HA 0.208 4.587 4.340 0.064 0.000 0.338 536 R C -1.775 174.386 176.300 -0.232 0.000 1.062 536 R CA -1.477 54.530 56.100 -0.156 0.000 0.902 536 R CB 0.719 30.836 30.300 -0.304 0.000 1.050 536 R HN 0.223 nan 8.270 nan 0.000 0.461 537 P HA -0.210 nan 4.420 nan 0.000 0.218 537 P C 0.695 177.955 177.300 -0.067 0.000 1.148 537 P CA 1.130 64.192 63.100 -0.063 0.000 0.822 537 P CB 0.008 31.712 31.700 0.007 0.000 0.784 538 Y N -1.399 118.903 120.300 0.003 0.000 2.333 538 Y HA -0.085 4.503 4.550 0.064 0.000 0.290 538 Y C 1.897 177.805 175.900 0.013 0.000 1.144 538 Y CA 0.696 58.798 58.100 0.004 0.000 1.228 538 Y CB -1.756 36.707 38.460 0.004 0.000 0.985 538 Y HN -0.092 nan 8.280 nan 0.000 0.542 539 I N 0.809 121.002 120.570 -0.630 0.000 2.252 539 I HA -0.231 3.977 4.170 0.064 0.000 0.245 539 I C 2.525 178.571 176.117 -0.118 0.000 1.102 539 I CA 1.257 62.354 61.300 -0.339 0.000 1.385 539 I CB -0.348 37.440 38.000 -0.354 0.000 1.064 539 I HN 0.173 nan 8.210 nan 0.000 0.414 540 R N 0.837 121.252 120.500 -0.142 0.000 2.083 540 R HA -0.205 4.174 4.340 0.064 0.000 0.237 540 R C 2.131 178.389 176.300 -0.070 0.000 1.137 540 R CA 1.643 57.672 56.100 -0.118 0.000 0.951 540 R CB -0.520 29.706 30.300 -0.123 0.000 0.851 540 R HN 0.455 nan 8.270 nan 0.000 0.434 541 E N 0.487 120.667 120.200 -0.033 0.000 2.085 541 E HA -0.193 4.196 4.350 0.064 0.000 0.194 541 E C 2.157 178.766 176.600 0.015 0.000 0.994 541 E CA 1.137 57.535 56.400 -0.002 0.000 0.801 541 E CB -0.069 29.651 29.700 0.034 0.000 0.743 541 E HN 0.311 nan 8.360 nan 0.000 0.453 542 R N 0.255 120.782 120.500 0.044 0.000 2.115 542 R HA -0.076 4.302 4.340 0.064 0.000 0.230 542 R C 2.381 178.711 176.300 0.050 0.000 1.111 542 R CA 0.825 56.963 56.100 0.064 0.000 0.976 542 R CB -0.117 30.243 30.300 0.100 0.000 0.870 542 R HN 0.042 nan 8.270 nan 0.000 0.445 543 V N 0.173 120.111 119.914 0.039 0.000 2.379 543 V HA -0.176 3.983 4.120 0.064 0.000 0.245 543 V C 2.238 178.311 176.094 -0.035 0.000 1.044 543 V CA 1.350 63.682 62.300 0.055 0.000 1.036 543 V CB -0.185 31.691 31.823 0.089 0.000 0.664 543 V HN 0.109 nan 8.190 nan 0.000 0.453 544 V N 0.585 120.453 119.914 -0.077 0.000 2.332 544 V HA -0.320 3.838 4.120 0.064 0.000 0.248 544 V C 2.327 178.375 176.094 -0.077 0.000 1.055 544 V CA 2.506 64.734 62.300 -0.119 0.000 1.038 544 V CB -0.665 31.096 31.823 -0.104 0.000 0.651 544 V HN 0.662 nan 8.190 nan 0.000 0.450 545 D N -0.806 119.583 120.400 -0.019 0.000 2.123 545 D HA -0.209 4.469 4.640 0.064 0.000 0.196 545 D C 2.262 178.625 176.300 0.104 0.000 0.992 545 D CA 1.254 55.272 54.000 0.030 0.000 0.833 545 D CB -0.027 40.812 40.800 0.065 0.000 0.954 545 D HN 0.320 nan 8.370 nan 0.000 0.455 546 Q N -0.163 119.686 119.800 0.082 0.000 2.084 546 Q HA -0.093 4.285 4.340 0.064 0.000 0.202 546 Q C 2.587 178.614 176.000 0.044 0.000 0.978 546 Q CA 0.705 56.574 55.803 0.111 0.000 0.844 546 Q CB -0.410 28.409 28.738 0.135 0.000 0.898 546 Q HN 0.462 nan 8.270 nan 0.000 0.426 547 L N 0.102 121.282 121.223 -0.072 0.000 2.127 547 L HA -0.155 4.223 4.340 0.064 0.000 0.211 547 L C 2.328 179.078 176.870 -0.201 0.000 1.089 547 L CA 1.020 55.740 54.840 -0.200 0.000 0.757 547 L CB -0.676 41.155 42.059 -0.380 0.000 0.899 547 L HN 0.104 nan 8.230 nan 0.000 0.434 548 A N -0.788 121.933 122.820 -0.166 0.000 2.067 548 A HA -0.200 4.159 4.320 0.064 0.000 0.219 548 A C 1.749 179.136 177.584 -0.327 0.000 1.158 548 A CA 1.232 53.132 52.037 -0.228 0.000 0.661 548 A CB -0.727 18.145 19.000 -0.213 0.000 0.801 548 A HN 0.452 nan 8.150 nan 0.000 0.452 549 H N -1.238 117.623 119.070 -0.349 0.000 2.551 549 H HA 0.245 4.839 4.556 0.064 0.000 0.266 549 H C 1.544 176.596 175.328 -0.459 0.000 0.977 549 H CA 1.017 56.721 56.048 -0.572 0.000 1.163 549 H CB 0.065 29.064 29.762 -1.271 0.000 1.381 549 H HN 0.513 nan 8.280 nan 0.000 0.581 550 I N -1.222 119.244 120.570 -0.172 0.000 2.900 550 I HA 0.085 4.293 4.170 0.064 0.000 0.251 550 I C -0.112 175.930 176.117 -0.126 0.000 1.102 550 I CA 0.452 61.715 61.300 -0.061 0.000 1.457 550 I CB 0.682 38.675 38.000 -0.013 0.000 1.285 550 I HN 0.091 nan 8.210 nan 0.000 0.459 551 D N -1.104 119.151 120.400 -0.242 0.000 2.871 551 D HA 0.215 4.893 4.640 0.064 0.000 0.209 551 D C 0.075 176.209 176.300 -0.276 0.000 1.292 551 D CA -0.403 53.438 54.000 -0.264 0.000 0.869 551 D CB 1.277 41.799 40.800 -0.463 0.000 1.663 551 D HN -0.207 nan 8.370 nan 0.000 0.557 552 L N 2.440 123.561 121.223 -0.170 0.000 2.156 552 L HA 0.035 4.414 4.340 0.064 0.000 0.208 552 L C 2.231 179.024 176.870 -0.130 0.000 1.095 552 L CA 1.624 56.376 54.840 -0.148 0.000 0.770 552 L CB -1.088 40.912 42.059 -0.099 0.000 0.914 552 L HN 0.637 nan 8.230 nan 0.000 0.439 553 T N -0.257 114.246 114.554 -0.084 0.000 2.737 553 T HA -0.182 4.206 4.350 0.064 0.000 0.265 553 T C 1.884 176.532 174.700 -0.086 0.000 1.038 553 T CA 1.441 63.538 62.100 -0.006 0.000 1.144 553 T CB -0.344 68.612 68.868 0.147 0.000 0.866 553 T HN 0.194 nan 8.240 nan 0.000 0.434 554 L N 1.719 122.732 121.223 -0.349 0.000 1.990 554 L HA -0.058 4.321 4.340 0.064 0.000 0.213 554 L C 2.589 179.232 176.870 -0.380 0.000 1.072 554 L CA 2.256 56.710 54.840 -0.643 0.000 0.755 554 L CB -1.133 40.085 42.059 -1.403 0.000 0.889 554 L HN 0.224 nan 8.230 nan 0.000 0.432 555 A N -1.245 121.369 122.820 -0.344 0.000 1.902 555 A HA -0.255 4.104 4.320 0.064 0.000 0.217 555 A C 2.225 179.706 177.584 -0.171 0.000 1.181 555 A CA 1.874 53.753 52.037 -0.263 0.000 0.623 555 A CB -0.643 18.218 19.000 -0.231 0.000 0.818 555 A HN 0.703 nan 8.150 nan 0.000 0.443 556 Q N -0.889 118.835 119.800 -0.126 0.000 2.119 556 Q HA -0.059 4.319 4.340 0.064 0.000 0.201 556 Q C 2.392 178.365 176.000 -0.046 0.000 0.972 556 Q CA 1.203 56.963 55.803 -0.072 0.000 0.847 556 Q CB -0.315 28.395 28.738 -0.046 0.000 0.903 556 Q HN 0.699 nan 8.270 nan 0.000 0.433 557 A N 0.133 122.932 122.820 -0.035 0.000 1.897 557 A HA -0.102 4.256 4.320 0.064 0.000 0.215 557 A C 2.278 179.865 177.584 0.004 0.000 1.181 557 A CA 1.040 53.085 52.037 0.014 0.000 0.620 557 A CB -0.498 18.545 19.000 0.071 0.000 0.821 557 A HN 0.192 nan 8.150 nan 0.000 0.443 558 V N 0.037 119.926 119.914 -0.042 0.000 2.295 558 V HA -0.243 3.915 4.120 0.064 0.000 0.246 558 V C 3.075 179.136 176.094 -0.055 0.000 1.049 558 V CA 1.915 64.184 62.300 -0.050 0.000 1.024 558 V CB -1.372 30.363 31.823 -0.146 0.000 0.648 558 V HN 0.595 nan 8.190 nan 0.000 0.447 559 A N -0.107 122.668 122.820 -0.076 0.000 1.917 559 A HA -0.328 4.031 4.320 0.064 0.000 0.219 559 A C 2.345 179.909 177.584 -0.033 0.000 1.182 559 A CA 2.499 54.500 52.037 -0.061 0.000 0.633 559 A CB -0.577 18.384 19.000 -0.064 0.000 0.819 559 A HN 0.549 nan 8.150 nan 0.000 0.448 560 K N -0.511 119.877 120.400 -0.020 0.000 2.032 560 K HA -0.204 4.155 4.320 0.064 0.000 0.209 560 K C 1.611 178.215 176.600 0.006 0.000 1.048 560 K CA 1.650 57.936 56.287 -0.002 0.000 0.927 560 K CB -0.234 32.272 32.500 0.009 0.000 0.712 560 K HN 0.423 nan 8.250 nan 0.000 0.441 561 N N 0.677 119.385 118.700 0.013 0.000 2.348 561 N HA -0.138 4.640 4.740 0.064 0.000 0.185 561 N C 1.252 176.764 175.510 0.004 0.000 1.019 561 N CA 0.951 54.014 53.050 0.023 0.000 0.880 561 N CB 0.035 38.547 38.487 0.043 0.000 0.965 561 N HN 0.289 nan 8.380 nan 0.000 0.437 562 L N -1.188 120.025 121.223 -0.015 0.000 2.640 562 L HA 0.253 4.631 4.340 0.064 0.000 0.230 562 L C 0.930 177.787 176.870 -0.023 0.000 1.123 562 L CA -0.056 54.766 54.840 -0.030 0.000 0.900 562 L CB 0.053 42.079 42.059 -0.055 0.000 1.146 562 L HN 0.081 nan 8.230 nan 0.000 0.484 563 G N 1.635 110.427 108.800 -0.013 0.000 2.221 563 G HA2 -0.289 3.710 3.960 0.064 0.000 0.265 563 G HA3 -0.289 3.710 3.960 0.064 0.000 0.265 563 G C -0.029 174.863 174.900 -0.013 0.000 1.041 563 G CA 0.136 45.230 45.100 -0.009 0.000 0.807 563 G HN 0.306 nan 8.290 nan 0.000 0.502 564 I N -0.304 120.254 120.570 -0.021 0.000 2.460 564 I HA 0.528 4.737 4.170 0.064 0.000 0.298 564 I C 0.240 176.343 176.117 -0.024 0.000 0.989 564 I CA -0.868 60.418 61.300 -0.023 0.000 1.173 564 I CB 1.887 39.867 38.000 -0.034 0.000 1.338 564 I HN 0.215 nan 8.210 nan 0.000 0.456 565 E N 6.070 126.258 120.200 -0.021 0.000 2.158 565 E HA 0.443 4.831 4.350 0.064 0.000 0.271 565 E C -1.202 175.381 176.600 -0.028 0.000 0.911 565 E CA -0.608 55.779 56.400 -0.022 0.000 0.767 565 E CB 1.107 30.798 29.700 -0.015 0.000 1.120 565 E HN 0.444 nan 8.360 nan 0.000 0.405 566 L N 3.820 125.021 121.223 -0.036 0.000 2.456 566 L HA 0.185 4.564 4.340 0.064 0.000 0.272 566 L C 0.965 177.813 176.870 -0.036 0.000 1.189 566 L CA -0.273 54.540 54.840 -0.044 0.000 0.846 566 L CB 0.519 42.542 42.059 -0.060 0.000 1.111 566 L HN 0.735 nan 8.230 nan 0.000 0.475 567 T N -2.337 112.195 114.554 -0.036 0.000 2.788 567 T HA 0.054 4.443 4.350 0.064 0.000 0.287 567 T C 0.814 175.493 174.700 -0.036 0.000 1.007 567 T CA -0.782 61.300 62.100 -0.030 0.000 1.005 567 T CB 1.020 69.873 68.868 -0.024 0.000 1.012 567 T HN 0.505 nan 8.240 nan 0.000 0.530 568 D N 0.571 120.954 120.400 -0.029 0.000 2.123 568 D HA -0.098 4.581 4.640 0.064 0.000 0.196 568 D C 1.667 177.943 176.300 -0.040 0.000 0.992 568 D CA 1.392 55.373 54.000 -0.031 0.000 0.833 568 D CB -0.388 40.398 40.800 -0.023 0.000 0.954 568 D HN 0.632 nan 8.370 nan 0.000 0.455 569 D N 0.365 120.742 120.400 -0.038 0.000 2.117 569 D HA -0.110 4.569 4.640 0.064 0.000 0.197 569 D C 2.158 178.412 176.300 -0.076 0.000 0.987 569 D CA 0.758 54.730 54.000 -0.046 0.000 0.829 569 D CB -0.203 40.577 40.800 -0.033 0.000 0.961 569 D HN 0.282 nan 8.370 nan 0.000 0.460 570 Q N -0.292 119.462 119.800 -0.078 0.000 2.096 570 Q HA -0.100 4.279 4.340 0.064 0.000 0.204 570 Q C 2.276 178.200 176.000 -0.128 0.000 0.982 570 Q CA 0.791 56.524 55.803 -0.117 0.000 0.850 570 Q CB -0.118 28.565 28.738 -0.093 0.000 0.901 570 Q HN 0.333 nan 8.270 nan 0.000 0.422 571 L N 0.655 121.823 121.223 -0.091 0.000 2.362 571 L HA -0.122 4.257 4.340 0.064 0.000 0.219 571 L C 1.173 177.993 176.870 -0.082 0.000 1.134 571 L CA 0.453 55.244 54.840 -0.082 0.000 0.807 571 L CB -0.150 41.875 42.059 -0.057 0.000 0.927 571 L HN 0.206 nan 8.230 nan 0.000 0.447 572 N N -0.027 118.622 118.700 -0.084 0.000 2.235 572 N HA 0.226 5.005 4.740 0.064 0.000 0.209 572 N C 0.339 175.790 175.510 -0.099 0.000 1.122 572 N CA 0.057 53.061 53.050 -0.076 0.000 0.845 572 N CB 0.532 38.987 38.487 -0.053 0.000 1.004 572 N HN 0.249 nan 8.380 nan 0.000 0.499 573 I N 1.872 122.349 120.570 -0.156 0.000 2.662 573 I HA -0.064 4.145 4.170 0.064 0.000 0.285 573 I C 0.487 176.509 176.117 -0.159 0.000 1.161 573 I CA 0.401 61.572 61.300 -0.214 0.000 1.415 573 I CB 0.185 37.928 38.000 -0.429 0.000 1.385 573 I HN -0.151 nan 8.210 nan 0.000 0.552 574 T N 8.450 122.941 114.554 -0.105 0.000 2.888 574 T HA 0.118 4.506 4.350 0.064 0.000 0.301 574 T C -2.004 172.659 174.700 -0.063 0.000 1.001 574 T CA -0.779 61.286 62.100 -0.059 0.000 1.147 574 T CB 0.030 68.886 68.868 -0.021 0.000 0.931 574 T HN 0.412 nan 8.240 nan 0.000 0.541 575 P HA 0.173 nan 4.420 nan 0.000 0.267 575 P C -2.350 174.963 177.300 0.022 0.000 1.200 575 P CA -1.312 61.775 63.100 -0.021 0.000 0.772 575 P CB -0.443 31.255 31.700 -0.003 0.000 0.855 576 P HA 0.230 nan 4.420 nan 0.000 0.272 576 P C -2.495 174.858 177.300 0.089 0.000 1.230 576 P CA -1.341 61.824 63.100 0.109 0.000 0.788 576 P CB -0.941 30.870 31.700 0.185 0.000 0.949 577 P HA 0.094 nan 4.420 nan 0.000 0.270 577 P C -0.202 177.146 177.300 0.081 0.000 1.223 577 P CA 0.178 63.324 63.100 0.077 0.000 0.785 577 P CB 0.146 31.895 31.700 0.081 0.000 0.923 578 D N -0.114 120.326 120.400 0.066 0.000 2.364 578 D HA 0.020 4.698 4.640 0.064 0.000 0.236 578 D C -0.096 176.250 176.300 0.077 0.000 1.221 578 D CA 0.226 54.261 54.000 0.059 0.000 0.891 578 D CB 0.227 41.057 40.800 0.050 0.000 1.190 578 D HN -0.036 nan 8.370 nan 0.000 0.449 579 V N 2.293 122.241 119.914 0.058 0.000 2.334 579 V HA 0.066 4.224 4.120 0.064 0.000 0.267 579 V C 0.278 176.460 176.094 0.146 0.000 1.040 579 V CA -0.495 61.864 62.300 0.099 0.000 0.866 579 V CB -0.282 31.508 31.823 -0.055 0.000 1.019 579 V HN 0.590 nan 8.190 nan 0.000 0.468 580 N N 4.488 123.294 118.700 0.177 0.000 2.707 580 N HA -0.236 4.542 4.740 0.064 0.000 0.253 580 N C 1.180 176.747 175.510 0.095 0.000 0.998 580 N CA 0.971 54.106 53.050 0.142 0.000 0.751 580 N CB -0.821 37.785 38.487 0.199 0.000 0.920 580 N HN 1.280 nan 8.380 nan 0.000 0.539 581 G N -1.886 106.958 108.800 0.074 0.000 2.179 581 G HA2 -0.330 3.669 3.960 0.064 0.000 0.260 581 G HA3 -0.330 3.669 3.960 0.064 0.000 0.260 581 G C 0.106 175.034 174.900 0.046 0.000 0.977 581 G CA 0.322 45.453 45.100 0.052 0.000 0.641 581 G HN 0.399 nan 8.290 nan 0.000 0.533 582 L N 0.338 121.592 121.223 0.052 0.000 2.319 582 L HA 0.395 4.773 4.340 0.064 0.000 0.280 582 L C 1.373 178.256 176.870 0.022 0.000 1.099 582 L CA -0.289 54.572 54.840 0.035 0.000 0.828 582 L CB 1.098 43.178 42.059 0.035 0.000 1.150 582 L HN 0.087 nan 8.230 nan 0.000 0.442 583 K N 3.354 123.763 120.400 0.014 0.000 2.372 583 K HA 0.146 4.504 4.320 0.064 0.000 0.200 583 K C -0.414 176.179 176.600 -0.011 0.000 1.022 583 K CA -0.023 56.269 56.287 0.009 0.000 1.125 583 K CB 0.297 32.803 32.500 0.010 0.000 0.855 583 K HN 0.564 nan 8.250 nan 0.000 0.524 584 K N -0.244 120.146 120.400 -0.017 0.000 2.818 584 K HA 0.184 4.542 4.320 0.064 0.000 0.287 584 K C -2.313 174.270 176.600 -0.028 0.000 1.061 584 K CA -0.929 55.332 56.287 -0.043 0.000 0.858 584 K CB 1.104 33.561 32.500 -0.072 0.000 1.456 584 K HN -0.195 nan 8.250 nan 0.000 0.364 585 D N 2.276 122.654 120.400 -0.036 0.000 2.479 585 D HA 0.324 5.003 4.640 0.064 0.000 0.246 585 D C -2.185 174.102 176.300 -0.022 0.000 1.336 585 D CA -2.047 51.950 54.000 -0.004 0.000 0.967 585 D CB 2.169 42.988 40.800 0.032 0.000 1.275 585 D HN 0.296 nan 8.370 nan 0.000 0.577 586 P HA -0.070 nan 4.420 nan 0.000 0.230 586 P C 1.250 178.545 177.300 -0.008 0.000 1.158 586 P CA 0.663 63.736 63.100 -0.046 0.000 0.769 586 P CB 0.190 31.872 31.700 -0.031 0.000 0.807 587 S N -0.956 114.772 115.700 0.046 0.000 2.507 587 S HA -0.049 4.459 4.470 0.064 0.000 0.235 587 S C 1.624 176.309 174.600 0.143 0.000 0.988 587 S CA 0.708 58.972 58.200 0.105 0.000 0.944 587 S CB -1.394 61.894 63.200 0.147 0.000 0.762 587 S HN 0.148 nan 8.310 nan 0.000 0.526 588 L N 1.268 122.539 121.223 0.079 0.000 2.492 588 L HA 0.204 4.583 4.340 0.064 0.000 0.223 588 L C 1.457 178.239 176.870 -0.145 0.000 1.132 588 L CA 0.116 55.001 54.840 0.074 0.000 0.850 588 L CB -0.311 41.775 42.059 0.046 0.000 0.966 588 L HN 0.317 nan 8.230 nan 0.000 0.454 589 S N -0.314 115.280 115.700 -0.178 0.000 2.586 589 S HA 0.286 4.795 4.470 0.064 0.000 0.274 589 S C 1.088 175.576 174.600 -0.186 0.000 1.281 589 S CA -0.628 57.409 58.200 -0.271 0.000 1.035 589 S CB 1.302 64.342 63.200 -0.266 0.000 0.962 589 S HN 0.176 nan 8.310 nan 0.000 0.512 590 L N 3.265 124.298 121.223 -0.316 0.000 2.217 590 L HA 0.005 4.383 4.340 0.064 0.000 0.211 590 L C 0.819 177.435 176.870 -0.423 0.000 1.107 590 L CA 1.120 55.679 54.840 -0.469 0.000 0.783 590 L CB -0.249 41.216 42.059 -0.991 0.000 0.919 590 L HN 0.767 nan 8.230 nan 0.000 0.442 591 Y N -2.527 117.773 120.300 0.000 0.000 2.425 591 Y HA 0.315 4.904 4.550 0.064 0.000 0.261 591 Y C 2.159 178.083 175.900 0.040 0.000 1.084 591 Y CA -0.210 57.938 58.100 0.080 0.000 1.248 591 Y CB -0.476 38.056 38.460 0.121 0.000 1.270 591 Y HN -0.061 nan 8.280 nan 0.000 0.524 592 A N 0.848 123.708 122.820 0.066 0.000 1.917 592 A HA -0.096 4.263 4.320 0.064 0.000 0.219 592 A C 0.984 178.608 177.584 0.067 0.000 1.182 592 A CA 1.165 53.211 52.037 0.014 0.000 0.633 592 A CB -0.750 18.203 19.000 -0.078 0.000 0.819 592 A HN 0.242 nan 8.150 nan 0.000 0.448 593 I N 0.736 121.351 120.570 0.076 0.000 2.330 593 I HA 0.246 4.454 4.170 0.064 0.000 0.289 593 I C -2.591 173.599 176.117 0.122 0.000 1.001 593 I CA -2.097 59.254 61.300 0.084 0.000 1.193 593 I CB 1.136 39.173 38.000 0.063 0.000 1.345 593 I HN -0.001 nan 8.210 nan 0.000 0.461 594 P HA 0.008 nan 4.420 nan 0.000 0.264 594 P C -0.224 177.147 177.300 0.119 0.000 1.183 594 P CA 0.385 63.572 63.100 0.145 0.000 0.763 594 P CB 0.464 32.232 31.700 0.114 0.000 0.807 595 D N 0.502 120.981 120.400 0.131 0.000 2.583 595 D HA 0.079 4.758 4.640 0.064 0.000 0.282 595 D C 0.570 176.927 176.300 0.095 0.000 1.485 595 D CA -0.312 53.749 54.000 0.101 0.000 0.834 595 D CB -0.622 40.236 40.800 0.097 0.000 1.258 595 D HN 0.340 nan 8.370 nan 0.000 0.470 596 G N 0.192 109.059 108.800 0.113 0.000 2.432 596 G HA2 0.347 4.345 3.960 0.064 0.000 0.239 596 G HA3 0.347 4.345 3.960 0.064 0.000 0.239 596 G C -0.664 174.272 174.900 0.061 0.000 1.291 596 G CA 0.110 45.270 45.100 0.099 0.000 0.863 596 G HN 0.164 nan 8.290 nan 0.000 0.560 597 D N 0.607 121.036 120.400 0.047 0.000 2.736 597 D HA 0.192 4.870 4.640 0.064 0.000 0.243 597 D C 0.859 177.170 176.300 0.018 0.000 1.304 597 D CA -0.517 53.497 54.000 0.024 0.000 0.934 597 D CB 1.749 42.556 40.800 0.012 0.000 1.382 597 D HN 0.324 nan 8.370 nan 0.000 0.571 598 V N 1.856 121.774 119.914 0.007 0.000 3.406 598 V HA 0.255 4.414 4.120 0.064 0.000 0.263 598 V C 0.966 177.044 176.094 -0.026 0.000 1.172 598 V CA 0.178 62.479 62.300 0.001 0.000 1.140 598 V CB -0.681 31.139 31.823 -0.005 0.000 0.784 598 V HN 0.388 nan 8.190 nan 0.000 0.467 599 K N 1.247 121.624 120.400 -0.038 0.000 2.451 599 K HA 0.406 4.764 4.320 0.064 0.000 0.280 599 K C 1.244 177.806 176.600 -0.064 0.000 1.020 599 K CA 1.107 57.349 56.287 -0.074 0.000 1.008 599 K CB 0.186 32.645 32.500 -0.068 0.000 0.917 599 K HN 0.713 nan 8.250 nan 0.000 0.478 600 G N 2.998 111.731 108.800 -0.112 0.000 2.199 600 G HA2 -0.227 3.771 3.960 0.064 0.000 0.254 600 G HA3 -0.227 3.771 3.960 0.064 0.000 0.254 600 G C 0.111 175.064 174.900 0.087 0.000 0.982 600 G CA -0.108 45.000 45.100 0.014 0.000 0.632 600 G HN 0.573 nan 8.290 nan 0.000 0.529 601 R N -0.200 120.320 120.500 0.032 0.000 2.738 601 R HA 0.666 5.045 4.340 0.064 0.000 0.275 601 R C 0.091 176.452 176.300 0.103 0.000 1.121 601 R CA 0.033 56.179 56.100 0.077 0.000 1.207 601 R CB 0.880 31.215 30.300 0.060 0.000 1.141 601 R HN 0.675 nan 8.270 nan 0.000 0.571 602 V N 0.276 120.265 119.914 0.125 0.000 2.841 602 V HA 0.450 4.608 4.120 0.064 0.000 0.310 602 V C -1.141 175.021 176.094 0.113 0.000 1.090 602 V CA -0.740 61.648 62.300 0.146 0.000 0.930 602 V CB 2.488 34.419 31.823 0.180 0.000 1.014 602 V HN 0.350 nan 8.190 nan 0.000 0.425 603 V N 5.666 125.644 119.914 0.105 0.000 2.495 603 V HA 0.774 4.932 4.120 0.064 0.000 0.298 603 V C 0.502 176.657 176.094 0.102 0.000 1.031 603 V CA -0.215 62.138 62.300 0.088 0.000 0.871 603 V CB 1.695 33.557 31.823 0.064 0.000 0.988 603 V HN 1.198 nan 8.190 nan 0.000 0.432 604 A N 6.225 129.115 122.820 0.117 0.000 2.409 604 A HA 0.708 5.066 4.320 0.064 0.000 0.262 604 A C -0.374 177.235 177.584 0.042 0.000 1.113 604 A CA -0.072 52.026 52.037 0.100 0.000 0.790 604 A CB -0.065 19.036 19.000 0.168 0.000 1.046 604 A HN 0.764 nan 8.150 nan 0.000 0.496 605 I N 3.506 124.094 120.570 0.030 0.000 2.355 605 I HA 0.199 4.408 4.170 0.064 0.000 0.288 605 I C -0.575 175.556 176.117 0.024 0.000 0.999 605 I CA -0.210 61.106 61.300 0.027 0.000 1.163 605 I CB 1.403 39.429 38.000 0.042 0.000 1.316 605 I HN 0.493 nan 8.210 nan 0.000 0.454 606 L N 7.407 128.633 121.223 0.005 0.000 2.312 606 L HA 0.397 4.775 4.340 0.064 0.000 0.287 606 L C 0.002 176.975 176.870 0.172 0.000 1.091 606 L CA -0.349 54.545 54.840 0.090 0.000 0.846 606 L CB 0.040 42.014 42.059 -0.142 0.000 1.219 606 L HN 0.441 nan 8.230 nan 0.000 0.439 607 L N 3.503 124.868 121.223 0.237 0.000 2.453 607 L HA 0.258 4.637 4.340 0.064 0.000 0.261 607 L C 0.267 177.320 176.870 0.305 0.000 1.179 607 L CA -0.272 54.669 54.840 0.168 0.000 0.813 607 L CB 0.781 42.848 42.059 0.014 0.000 1.110 607 L HN 0.699 nan 8.230 nan 0.000 0.466 608 N N -1.769 117.016 118.700 0.141 0.000 2.701 608 N HA 0.250 5.028 4.740 0.064 0.000 0.290 608 N C -0.358 175.119 175.510 -0.054 0.000 1.338 608 N CA -0.758 52.419 53.050 0.211 0.000 0.799 608 N CB 0.651 39.252 38.487 0.189 0.000 1.491 608 N HN 0.537 nan 8.380 nan 0.000 0.540 609 D N -2.225 118.182 120.400 0.012 0.000 2.349 609 D HA 0.026 4.704 4.640 0.064 0.000 0.224 609 D C -0.245 176.018 176.300 -0.063 0.000 1.029 609 D CA 0.547 54.487 54.000 -0.101 0.000 0.879 609 D CB -0.050 40.762 40.800 0.019 0.000 0.906 609 D HN 0.648 nan 8.370 nan 0.000 0.528 610 E N 0.316 120.497 120.200 -0.031 0.000 3.832 610 E HA 0.211 4.599 4.350 0.064 0.000 0.250 610 E C -1.501 175.086 176.600 -0.022 0.000 1.215 610 E CA -0.511 55.873 56.400 -0.026 0.000 1.179 610 E CB 0.535 30.230 29.700 -0.008 0.000 1.270 610 E HN -0.010 nan 8.360 nan 0.000 0.405 611 V N 1.770 121.662 119.914 -0.037 0.000 2.715 611 V HA 0.260 4.418 4.120 0.064 0.000 0.299 611 V C 0.333 176.411 176.094 -0.026 0.000 1.054 611 V CA -0.198 62.087 62.300 -0.024 0.000 1.077 611 V CB 0.989 32.794 31.823 -0.030 0.000 0.972 611 V HN 0.489 nan 8.190 nan 0.000 0.484 612 R N 3.941 124.426 120.500 -0.024 0.000 2.309 612 R HA 0.099 4.478 4.340 0.064 0.000 0.331 612 R C 1.630 177.908 176.300 -0.036 0.000 1.116 612 R CA 0.569 56.650 56.100 -0.032 0.000 0.970 612 R CB 0.408 30.685 30.300 -0.039 0.000 1.024 612 R HN 1.050 nan 8.270 nan 0.000 0.472 613 S N 2.969 118.649 115.700 -0.032 0.000 2.400 613 S HA -0.235 4.273 4.470 0.064 0.000 0.232 613 S C 1.920 176.500 174.600 -0.033 0.000 1.025 613 S CA 1.110 59.292 58.200 -0.030 0.000 0.993 613 S CB -0.052 63.133 63.200 -0.026 0.000 0.808 613 S HN 0.671 nan 8.310 nan 0.000 0.478 614 A N 2.120 124.917 122.820 -0.038 0.000 1.933 614 A HA -0.088 4.271 4.320 0.064 0.000 0.218 614 A C 1.989 179.538 177.584 -0.059 0.000 1.175 614 A CA 1.612 53.623 52.037 -0.043 0.000 0.628 614 A CB -0.852 18.122 19.000 -0.044 0.000 0.814 614 A HN 0.496 nan 8.150 nan 0.000 0.444 615 D N -0.449 119.905 120.400 -0.075 0.000 2.097 615 D HA -0.128 4.550 4.640 0.064 0.000 0.195 615 D C 1.844 178.103 176.300 -0.068 0.000 0.989 615 D CA 1.259 55.194 54.000 -0.108 0.000 0.827 615 D CB -0.399 40.327 40.800 -0.123 0.000 0.966 615 D HN 0.319 nan 8.370 nan 0.000 0.456 616 L N 0.257 121.456 121.223 -0.041 0.000 2.056 616 L HA -0.083 4.296 4.340 0.064 0.000 0.207 616 L C 2.149 179.012 176.870 -0.011 0.000 1.078 616 L CA 1.119 55.948 54.840 -0.018 0.000 0.749 616 L CB -0.554 41.495 42.059 -0.015 0.000 0.901 616 L HN -0.023 nan 8.230 nan 0.000 0.433 617 L N -0.412 120.801 121.223 -0.018 0.000 2.012 617 L HA -0.202 4.176 4.340 0.064 0.000 0.210 617 L C 2.554 179.421 176.870 -0.006 0.000 1.073 617 L CA 2.116 56.950 54.840 -0.011 0.000 0.748 617 L CB -0.920 41.130 42.059 -0.014 0.000 0.891 617 L HN 0.339 nan 8.230 nan 0.000 0.431 618 A N -1.036 121.775 122.820 -0.016 0.000 1.968 618 A HA -0.122 4.237 4.320 0.064 0.000 0.217 618 A C 2.246 179.843 177.584 0.022 0.000 1.169 618 A CA 1.504 53.538 52.037 -0.005 0.000 0.638 618 A CB -0.686 18.297 19.000 -0.027 0.000 0.812 618 A HN 0.414 nan 8.150 nan 0.000 0.446 619 I N -0.210 120.373 120.570 0.022 0.000 2.142 619 I HA -0.262 3.946 4.170 0.064 0.000 0.240 619 I C 2.327 178.473 176.117 0.048 0.000 1.078 619 I CA 1.284 62.621 61.300 0.062 0.000 1.343 619 I CB -0.285 37.753 38.000 0.064 0.000 1.046 619 I HN 0.278 nan 8.210 nan 0.000 0.405 620 L N 0.474 121.715 121.223 0.030 0.000 2.141 620 L HA -0.196 4.183 4.340 0.064 0.000 0.209 620 L C 2.583 179.465 176.870 0.020 0.000 1.094 620 L CA 1.205 56.060 54.840 0.026 0.000 0.763 620 L CB -0.656 41.416 42.059 0.021 0.000 0.908 620 L HN 0.273 nan 8.230 nan 0.000 0.437 621 K N 0.988 121.399 120.400 0.017 0.000 2.026 621 K HA -0.176 4.182 4.320 0.064 0.000 0.208 621 K C 2.150 178.758 176.600 0.014 0.000 1.048 621 K CA 1.498 57.793 56.287 0.013 0.000 0.929 621 K CB -0.106 32.401 32.500 0.010 0.000 0.713 621 K HN 0.210 nan 8.250 nan 0.000 0.439 622 A N 1.458 124.292 122.820 0.023 0.000 1.897 622 A HA -0.042 4.316 4.320 0.064 0.000 0.215 622 A C 2.169 179.759 177.584 0.011 0.000 1.181 622 A CA 1.087 53.139 52.037 0.024 0.000 0.620 622 A CB -0.577 18.449 19.000 0.044 0.000 0.821 622 A HN 0.331 nan 8.150 nan 0.000 0.443 623 L N -0.469 120.763 121.223 0.014 0.000 2.012 623 L HA -0.235 4.144 4.340 0.064 0.000 0.210 623 L C 2.693 179.545 176.870 -0.029 0.000 1.073 623 L CA 2.072 56.909 54.840 -0.004 0.000 0.748 623 L CB -0.498 41.567 42.059 0.010 0.000 0.891 623 L HN 0.464 nan 8.230 nan 0.000 0.431 624 K N 0.353 120.743 120.400 -0.016 0.000 2.097 624 K HA -0.187 4.171 4.320 0.064 0.000 0.206 624 K C 2.043 178.624 176.600 -0.031 0.000 1.049 624 K CA 1.353 57.625 56.287 -0.024 0.000 0.933 624 K CB -0.046 32.452 32.500 -0.004 0.000 0.717 624 K HN 0.288 nan 8.250 nan 0.000 0.442 625 A N 1.066 123.874 122.820 -0.019 0.000 2.070 625 A HA -0.092 4.266 4.320 0.064 0.000 0.220 625 A C 1.436 179.003 177.584 -0.028 0.000 1.159 625 A CA 1.235 53.261 52.037 -0.018 0.000 0.656 625 A CB -0.020 18.976 19.000 -0.007 0.000 0.800 625 A HN 0.174 nan 8.150 nan 0.000 0.453 626 K N -1.399 118.977 120.400 -0.038 0.000 2.373 626 K HA 0.238 4.597 4.320 0.064 0.000 0.202 626 K C 0.834 177.385 176.600 -0.082 0.000 1.025 626 K CA 0.564 56.823 56.287 -0.047 0.000 1.115 626 K CB 0.211 32.690 32.500 -0.035 0.000 0.858 626 K HN 0.681 nan 8.250 nan 0.000 0.525 627 G N 1.732 110.465 108.800 -0.113 0.000 2.198 627 G HA2 -0.232 3.766 3.960 0.064 0.000 0.257 627 G HA3 -0.232 3.766 3.960 0.064 0.000 0.257 627 G C 0.048 174.745 174.900 -0.339 0.000 1.042 627 G CA 0.164 45.145 45.100 -0.198 0.000 0.791 627 G HN 0.117 nan 8.290 nan 0.000 0.502 628 V N 2.223 121.986 119.914 -0.251 0.000 2.509 628 V HA 0.455 4.614 4.120 0.064 0.000 0.284 628 V C 0.760 176.702 176.094 -0.254 0.000 1.047 628 V CA -1.012 61.147 62.300 -0.234 0.000 0.952 628 V CB 1.254 33.027 31.823 -0.084 0.000 0.988 628 V HN 0.380 nan 8.190 nan 0.000 0.469 629 H N 2.342 121.426 119.070 0.022 0.000 2.495 629 H HA 0.767 5.361 4.556 0.064 0.000 0.350 629 H C 0.083 175.433 175.328 0.036 0.000 1.202 629 H CA -0.243 55.821 56.048 0.026 0.000 1.322 629 H CB 1.874 31.653 29.762 0.027 0.000 1.544 629 H HN 0.750 nan 8.280 nan 0.000 0.565 630 A N 1.347 124.272 122.820 0.176 0.000 2.401 630 A HA 0.518 4.876 4.320 0.064 0.000 0.310 630 A C -0.632 177.011 177.584 0.100 0.000 1.075 630 A CA -0.934 51.171 52.037 0.114 0.000 0.746 630 A CB 1.231 20.280 19.000 0.081 0.000 1.277 630 A HN 0.735 nan 8.150 nan 0.000 0.425 631 K N 2.402 122.856 120.400 0.090 0.000 2.358 631 K HA 0.676 5.034 4.320 0.064 0.000 0.260 631 K C -1.481 175.152 176.600 0.055 0.000 0.956 631 K CA -0.472 55.859 56.287 0.073 0.000 0.834 631 K CB 1.334 33.886 32.500 0.086 0.000 1.102 631 K HN 0.512 nan 8.250 nan 0.000 0.431 632 L N 5.258 126.503 121.223 0.037 0.000 2.278 632 L HA 0.356 4.734 4.340 0.064 0.000 0.287 632 L C -0.441 176.436 176.870 0.012 0.000 1.072 632 L CA -0.683 54.171 54.840 0.023 0.000 0.819 632 L CB 0.174 42.237 42.059 0.008 0.000 1.176 632 L HN 0.535 nan 8.230 nan 0.000 0.435 633 L N 3.741 124.973 121.223 0.015 0.000 2.333 633 L HA 0.612 4.990 4.340 0.064 0.000 0.269 633 L C -0.871 175.933 176.870 -0.110 0.000 1.010 633 L CA -0.791 54.018 54.840 -0.051 0.000 0.818 633 L CB 2.081 44.125 42.059 -0.025 0.000 1.306 633 L HN 0.406 nan 8.230 nan 0.000 0.430 634 Y N -0.499 119.405 120.300 -0.660 0.000 2.840 634 Y HA 0.187 4.775 4.550 0.064 0.000 0.324 634 Y C 0.716 175.895 175.900 -1.201 0.000 1.378 634 Y CA -0.775 56.834 58.100 -0.819 0.000 1.077 634 Y CB 1.608 39.886 38.460 -0.304 0.000 1.361 634 Y HN 0.546 nan 8.280 nan 0.000 0.459 635 S N 0.709 115.486 115.700 -1.539 0.000 2.593 635 S HA 0.260 4.769 4.470 0.064 0.000 0.217 635 S C 0.026 174.336 174.600 -0.484 0.000 0.966 635 S CA 0.339 58.009 58.200 -0.884 0.000 0.914 635 S CB -0.257 62.572 63.200 -0.618 0.000 0.776 635 S HN 0.611 nan 8.310 nan 0.000 0.523 636 R N -1.306 118.987 120.500 -0.344 0.000 2.781 636 R HA 0.639 5.018 4.340 0.064 0.000 0.268 636 R C -1.001 175.295 176.300 -0.006 0.000 1.047 636 R CA -1.124 54.915 56.100 -0.102 0.000 0.925 636 R CB 0.453 30.741 30.300 -0.020 0.000 1.246 636 R HN -0.068 nan 8.270 nan 0.000 0.456 637 M N -0.044 119.557 119.600 0.002 0.000 2.363 637 M HA 0.600 5.118 4.480 0.064 0.000 0.280 637 M C 0.868 177.185 176.300 0.029 0.000 1.182 637 M CA 0.603 55.910 55.300 0.011 0.000 0.974 637 M CB 0.748 33.346 32.600 -0.004 0.000 1.452 637 M HN 1.049 nan 8.290 nan 0.000 0.507 638 G N 1.058 109.865 108.800 0.012 0.000 2.594 638 G HA2 -0.108 3.891 3.960 0.064 0.000 0.217 638 G HA3 -0.108 3.891 3.960 0.064 0.000 0.217 638 G C -1.007 173.887 174.900 -0.010 0.000 1.163 638 G CA -0.589 44.514 45.100 0.005 0.000 1.074 638 G HN 0.625 nan 8.290 nan 0.000 0.589 639 E N -0.905 119.281 120.200 -0.023 0.000 2.369 639 E HA 0.621 5.009 4.350 0.064 0.000 0.270 639 E C -0.480 176.056 176.600 -0.107 0.000 0.909 639 E CA -0.604 55.762 56.400 -0.056 0.000 0.775 639 E CB 2.954 32.629 29.700 -0.042 0.000 1.270 639 E HN 1.220 nan 8.360 nan 0.000 0.445 640 V N -1.669 118.147 119.914 -0.163 0.000 2.914 640 V HA 0.705 4.864 4.120 0.064 0.000 0.314 640 V C -0.498 175.510 176.094 -0.144 0.000 1.084 640 V CA -0.704 61.461 62.300 -0.226 0.000 0.963 640 V CB 1.942 33.494 31.823 -0.450 0.000 1.025 640 V HN 0.621 nan 8.190 nan 0.000 0.432 641 T N 2.880 117.363 114.554 -0.117 0.000 2.779 641 T HA 0.769 5.158 4.350 0.064 0.000 0.280 641 T C 0.372 175.028 174.700 -0.074 0.000 0.987 641 T CA 0.267 62.321 62.100 -0.077 0.000 0.966 641 T CB 1.357 70.193 68.868 -0.054 0.000 0.933 641 T HN 1.357 nan 8.240 nan 0.000 0.442 642 A N 2.365 125.148 122.820 -0.061 0.000 2.346 642 A HA 0.308 4.667 4.320 0.064 0.000 0.255 642 A C 1.554 179.115 177.584 -0.038 0.000 1.113 642 A CA -0.307 51.700 52.037 -0.051 0.000 0.798 642 A CB 0.042 19.017 19.000 -0.042 0.000 1.073 642 A HN 0.911 nan 8.150 nan 0.000 0.502 643 D N -0.257 120.124 120.400 -0.032 0.000 2.311 643 D HA -0.177 4.501 4.640 0.064 0.000 0.212 643 D C 0.520 176.806 176.300 -0.023 0.000 0.972 643 D CA 1.492 55.477 54.000 -0.025 0.000 0.887 643 D CB -0.197 40.590 40.800 -0.023 0.000 0.915 643 D HN 0.594 nan 8.370 nan 0.000 0.497 644 D N -1.630 118.756 120.400 -0.023 0.000 2.402 644 D HA 0.215 4.893 4.640 0.064 0.000 0.216 644 D C 1.581 177.869 176.300 -0.020 0.000 1.128 644 D CA 0.245 54.233 54.000 -0.020 0.000 0.833 644 D CB -0.036 40.753 40.800 -0.019 0.000 0.971 644 D HN 0.305 nan 8.370 nan 0.000 0.503 645 G N 0.045 108.831 108.800 -0.023 0.000 2.176 645 G HA2 -0.269 3.730 3.960 0.064 0.000 0.253 645 G HA3 -0.269 3.730 3.960 0.064 0.000 0.253 645 G C 0.415 175.301 174.900 -0.024 0.000 0.979 645 G CA 0.249 45.335 45.100 -0.022 0.000 0.641 645 G HN 0.419 nan 8.290 nan 0.000 0.530 646 T N 1.658 116.196 114.554 -0.026 0.000 2.829 646 T HA 0.397 4.785 4.350 0.064 0.000 0.293 646 T C 0.755 175.435 174.700 -0.033 0.000 0.970 646 T CA 0.153 62.238 62.100 -0.026 0.000 1.168 646 T CB 1.792 70.645 68.868 -0.025 0.000 0.911 646 T HN 0.474 nan 8.240 nan 0.000 0.535 647 V N 6.297 126.193 119.914 -0.030 0.000 2.455 647 V HA 0.235 4.394 4.120 0.064 0.000 0.273 647 V C 0.320 176.392 176.094 -0.037 0.000 1.045 647 V CA -0.367 61.912 62.300 -0.036 0.000 0.976 647 V CB 0.313 32.119 31.823 -0.028 0.000 0.993 647 V HN 0.688 nan 8.190 nan 0.000 0.475 648 L N 8.349 129.540 121.223 -0.052 0.000 2.294 648 L HA 0.463 4.841 4.340 0.064 0.000 0.283 648 L C -2.403 174.436 176.870 -0.052 0.000 1.015 648 L CA -1.758 53.051 54.840 -0.051 0.000 0.831 648 L CB 1.948 43.966 42.059 -0.068 0.000 1.217 648 L HN 0.439 nan 8.230 nan 0.000 0.420 649 P HA 0.271 nan 4.420 nan 0.000 0.279 649 P C -0.568 176.717 177.300 -0.024 0.000 1.239 649 P CA -0.177 62.908 63.100 -0.025 0.000 0.789 649 P CB 0.921 32.614 31.700 -0.012 0.000 0.933 650 I N 1.813 122.370 120.570 -0.021 0.000 2.331 650 I HA 0.238 4.446 4.170 0.064 0.000 0.292 650 I C 1.475 177.588 176.117 -0.006 0.000 0.998 650 I CA -0.314 60.977 61.300 -0.015 0.000 1.267 650 I CB 1.418 39.416 38.000 -0.003 0.000 1.386 650 I HN 0.377 nan 8.210 nan 0.000 0.476 651 A N 5.329 128.149 122.820 -0.001 0.000 1.929 651 A HA 0.468 4.826 4.320 0.064 0.000 0.216 651 A C 1.015 178.604 177.584 0.008 0.000 1.176 651 A CA 1.445 53.488 52.037 0.010 0.000 0.628 651 A CB -0.038 18.976 19.000 0.023 0.000 0.816 651 A HN 0.843 nan 8.150 nan 0.000 0.444 652 A N -2.472 120.346 122.820 -0.004 0.000 2.544 652 A HA 0.561 4.919 4.320 0.064 0.000 0.291 652 A C -0.111 177.437 177.584 -0.061 0.000 1.055 652 A CA 0.089 52.122 52.037 -0.007 0.000 0.651 652 A CB -0.301 18.719 19.000 0.034 0.000 1.296 652 A HN 0.854 nan 8.150 nan 0.000 0.431 653 T N -1.667 112.844 114.554 -0.071 0.000 2.902 653 T HA 0.598 4.987 4.350 0.064 0.000 0.280 653 T C 0.948 175.602 174.700 -0.077 0.000 0.992 653 T CA -0.043 61.945 62.100 -0.188 0.000 1.015 653 T CB 0.220 69.003 68.868 -0.142 0.000 1.044 653 T HN 0.513 nan 8.240 nan 0.000 0.520 654 F N 0.612 120.575 119.950 0.023 0.000 2.120 654 F HA -0.055 4.510 4.527 0.064 0.000 0.300 654 F C 2.936 178.874 175.800 0.231 0.000 1.095 654 F CA 1.117 59.177 58.000 0.100 0.000 1.249 654 F CB -0.612 38.416 39.000 0.047 0.000 0.995 654 F HN 0.710 nan 8.300 nan 0.000 0.480 655 A N 0.112 123.100 122.820 0.280 0.000 2.016 655 A HA 0.092 4.450 4.320 0.064 0.000 0.217 655 A C 2.402 180.061 177.584 0.126 0.000 1.162 655 A CA 1.324 53.471 52.037 0.184 0.000 0.662 655 A CB -1.290 17.773 19.000 0.105 0.000 0.812 655 A HN 0.388 nan 8.150 nan 0.000 0.450 656 G N -0.739 108.120 108.800 0.099 0.000 2.430 656 G HA2 0.303 4.302 3.960 0.064 0.000 0.216 656 G HA3 0.303 4.302 3.960 0.064 0.000 0.216 656 G C 0.704 175.657 174.900 0.088 0.000 1.146 656 G CA 0.850 45.990 45.100 0.065 0.000 0.793 656 G HN 0.930 nan 8.290 nan 0.000 0.537 657 A N 1.653 124.560 122.820 0.145 0.000 2.802 657 A HA 0.672 5.030 4.320 0.064 0.000 0.344 657 A C -2.349 175.394 177.584 0.264 0.000 1.215 657 A CA -1.318 50.820 52.037 0.169 0.000 0.821 657 A CB 0.981 20.078 19.000 0.162 0.000 1.099 657 A HN 0.170 nan 8.150 nan 0.000 0.479 658 P HA 0.002 nan 4.420 nan 0.000 0.271 658 P C 1.186 178.306 177.300 -0.300 0.000 1.233 658 P CA 0.350 63.404 63.100 -0.076 0.000 0.789 658 P CB 0.754 32.402 31.700 -0.087 0.000 0.951 659 S N 0.669 115.814 115.700 -0.926 0.000 2.442 659 S HA -0.151 4.358 4.470 0.064 0.000 0.236 659 S C 1.939 176.394 174.600 -0.242 0.000 1.007 659 S CA 0.908 58.726 58.200 -0.637 0.000 0.965 659 S CB -1.377 61.365 63.200 -0.763 0.000 0.773 659 S HN 0.383 nan 8.310 nan 0.000 0.504 660 L N 1.877 122.963 121.223 -0.230 0.000 2.197 660 L HA -0.118 4.260 4.340 0.064 0.000 0.215 660 L C 2.805 179.507 176.870 -0.281 0.000 1.095 660 L CA 1.649 56.352 54.840 -0.229 0.000 0.764 660 L CB -1.421 40.481 42.059 -0.262 0.000 0.897 660 L HN 0.649 nan 8.230 nan 0.000 0.436 661 T N -3.470 110.993 114.554 -0.151 0.000 3.122 661 T HA 0.313 4.702 4.350 0.064 0.000 0.250 661 T C 0.245 175.045 174.700 0.166 0.000 1.067 661 T CA 0.094 62.187 62.100 -0.011 0.000 0.966 661 T CB -0.259 68.699 68.868 0.149 0.000 1.002 661 T HN 0.148 nan 8.240 nan 0.000 0.542 662 V N -2.789 117.179 119.914 0.090 0.000 3.126 662 V HA 0.591 4.750 4.120 0.064 0.000 0.314 662 V C -0.290 175.852 176.094 0.080 0.000 1.138 662 V CA -0.940 61.437 62.300 0.130 0.000 1.034 662 V CB 2.158 34.075 31.823 0.156 0.000 1.075 662 V HN -0.006 nan 8.190 nan 0.000 0.442 663 D N 0.944 121.393 120.400 0.081 0.000 2.366 663 D HA 0.517 5.195 4.640 0.064 0.000 0.205 663 D C 0.548 176.836 176.300 -0.020 0.000 1.022 663 D CA 1.474 55.495 54.000 0.035 0.000 0.868 663 D CB 1.497 42.338 40.800 0.069 0.000 0.953 663 D HN 1.035 nan 8.370 nan 0.000 0.514 664 A N 0.044 122.870 122.820 0.011 0.000 2.586 664 A HA 0.516 4.874 4.320 0.064 0.000 0.291 664 A C -1.618 175.989 177.584 0.039 0.000 1.062 664 A CA -0.576 51.454 52.037 -0.011 0.000 0.666 664 A CB 1.312 20.295 19.000 -0.029 0.000 1.281 664 A HN -0.110 nan 8.150 nan 0.000 0.421 665 V N 1.090 121.021 119.914 0.028 0.000 2.656 665 V HA 0.613 4.771 4.120 0.064 0.000 0.307 665 V C -0.637 175.472 176.094 0.024 0.000 1.051 665 V CA -0.281 62.050 62.300 0.052 0.000 0.893 665 V CB 1.664 33.536 31.823 0.083 0.000 0.999 665 V HN 0.715 nan 8.190 nan 0.000 0.426 666 I N 3.793 124.386 120.570 0.038 0.000 2.465 666 I HA 0.550 4.758 4.170 0.064 0.000 0.291 666 I C -0.898 175.254 176.117 0.058 0.000 1.014 666 I CA -0.948 60.404 61.300 0.086 0.000 1.093 666 I CB 2.317 40.399 38.000 0.137 0.000 1.267 666 I HN 0.288 nan 8.210 nan 0.000 0.431 667 V N 7.463 127.428 119.914 0.086 0.000 2.326 667 V HA 0.337 4.495 4.120 0.064 0.000 0.281 667 V C -2.141 174.013 176.094 0.101 0.000 1.015 667 V CA -1.585 60.753 62.300 0.063 0.000 0.823 667 V CB 1.111 32.950 31.823 0.026 0.000 1.009 667 V HN 0.552 nan 8.190 nan 0.000 0.436 668 P HA 0.244 nan 4.420 nan 0.000 0.276 668 P C 0.063 177.379 177.300 0.027 0.000 1.261 668 P CA -0.319 62.789 63.100 0.014 0.000 0.800 668 P CB 1.148 32.849 31.700 0.002 0.000 1.066 669 C N -0.375 118.916 119.300 -0.014 0.000 2.480 669 C HA 0.818 5.316 4.460 0.064 0.000 0.344 669 C C 1.159 176.153 174.990 0.007 0.000 1.380 669 C CA 1.344 60.364 59.018 0.002 0.000 2.386 669 C CB -0.260 27.465 27.740 -0.026 0.000 2.210 669 C HN 0.909 nan 8.230 nan 0.000 0.640 670 G N 1.505 110.310 108.800 0.009 0.000 2.366 670 G HA2 0.025 4.024 3.960 0.064 0.000 0.190 670 G HA3 0.025 4.024 3.960 0.064 0.000 0.190 670 G C -0.972 173.938 174.900 0.016 0.000 1.299 670 G CA -0.143 44.962 45.100 0.007 0.000 1.056 670 G HN 0.823 nan 8.290 nan 0.000 0.468 671 N N 1.827 120.542 118.700 0.025 0.000 2.744 671 N HA 0.178 4.957 4.740 0.064 0.000 0.290 671 N C 1.637 177.180 175.510 0.054 0.000 1.206 671 N CA -0.310 52.760 53.050 0.033 0.000 1.119 671 N CB -0.204 38.306 38.487 0.037 0.000 1.449 671 N HN 0.372 nan 8.380 nan 0.000 0.514 672 I N 1.217 121.806 120.570 0.032 0.000 2.493 672 I HA -0.168 4.040 4.170 0.064 0.000 0.254 672 I C 2.041 178.159 176.117 0.001 0.000 1.160 672 I CA 0.576 61.894 61.300 0.029 0.000 1.445 672 I CB -1.481 36.499 38.000 -0.034 0.000 1.086 672 I HN 0.482 nan 8.210 nan 0.000 0.433 673 A N 0.568 123.382 122.820 -0.010 0.000 2.032 673 A HA -0.288 4.071 4.320 0.064 0.000 0.221 673 A C 2.086 179.688 177.584 0.030 0.000 1.165 673 A CA 2.114 54.144 52.037 -0.012 0.000 0.645 673 A CB -0.724 18.270 19.000 -0.009 0.000 0.807 673 A HN 0.418 nan 8.150 nan 0.000 0.453 674 D N 0.178 120.621 120.400 0.073 0.000 2.149 674 D HA -0.150 4.528 4.640 0.064 0.000 0.198 674 D C 1.560 177.944 176.300 0.140 0.000 0.990 674 D CA 1.833 55.906 54.000 0.122 0.000 0.839 674 D CB -0.171 40.741 40.800 0.186 0.000 0.948 674 D HN 0.663 nan 8.370 nan 0.000 0.460 675 I N -4.175 116.493 120.570 0.163 0.000 4.288 675 I HA 0.478 4.686 4.170 0.064 0.000 0.331 675 I C 1.905 178.141 176.117 0.198 0.000 1.322 675 I CA -0.039 61.381 61.300 0.201 0.000 1.149 675 I CB 0.093 38.263 38.000 0.283 0.000 1.112 675 I HN -0.104 nan 8.210 nan 0.000 0.403 676 A N 1.619 124.468 122.820 0.048 0.000 1.986 676 A HA -0.190 4.168 4.320 0.064 0.000 0.220 676 A C 1.507 179.068 177.584 -0.039 0.000 1.171 676 A CA 2.247 54.181 52.037 -0.172 0.000 0.640 676 A CB -0.543 18.284 19.000 -0.289 0.000 0.811 676 A HN 0.538 nan 8.150 nan 0.000 0.451 677 D N -0.782 119.625 120.400 0.012 0.000 2.402 677 D HA 0.047 4.725 4.640 0.064 0.000 0.216 677 D C -0.034 176.295 176.300 0.047 0.000 1.128 677 D CA -0.206 53.807 54.000 0.021 0.000 0.833 677 D CB -0.240 40.562 40.800 0.003 0.000 0.971 677 D HN 0.316 nan 8.370 nan 0.000 0.503 678 N N 1.095 119.839 118.700 0.072 0.000 2.420 678 N HA 0.024 4.803 4.740 0.064 0.000 0.262 678 N C 1.411 176.956 175.510 0.058 0.000 1.144 678 N CA 0.076 53.165 53.050 0.066 0.000 0.952 678 N CB 1.446 39.980 38.487 0.079 0.000 1.081 678 N HN 0.033 nan 8.380 nan 0.000 0.480 679 G N 3.455 112.289 108.800 0.056 0.000 2.469 679 G HA2 -0.277 3.722 3.960 0.064 0.000 0.219 679 G HA3 -0.277 3.722 3.960 0.064 0.000 0.219 679 G C 0.983 175.934 174.900 0.086 0.000 1.150 679 G CA 0.660 45.797 45.100 0.061 0.000 0.763 679 G HN 0.588 nan 8.290 nan 0.000 0.561 680 D N 0.751 121.208 120.400 0.095 0.000 2.117 680 D HA 0.040 4.718 4.640 0.064 0.000 0.198 680 D C 2.828 179.144 176.300 0.028 0.000 0.982 680 D CA 1.125 55.218 54.000 0.154 0.000 0.828 680 D CB -0.480 40.472 40.800 0.253 0.000 0.967 680 D HN 0.295 nan 8.370 nan 0.000 0.464 681 A N 1.128 123.785 122.820 -0.272 0.000 1.877 681 A HA -0.203 4.156 4.320 0.064 0.000 0.216 681 A C 2.024 179.407 177.584 -0.336 0.000 1.186 681 A CA 1.356 52.990 52.037 -0.673 0.000 0.620 681 A CB -0.516 18.034 19.000 -0.751 0.000 0.822 681 A HN 0.162 nan 8.150 nan 0.000 0.443 682 N N -1.584 117.060 118.700 -0.093 0.000 2.084 682 N HA -0.182 4.597 4.740 0.064 0.000 0.190 682 N C 1.728 177.222 175.510 -0.026 0.000 1.030 682 N CA 1.769 54.812 53.050 -0.013 0.000 0.849 682 N CB -0.477 38.071 38.487 0.102 0.000 1.012 682 N HN 0.673 nan 8.380 nan 0.000 0.423 683 Y N 0.782 121.051 120.300 -0.052 0.000 2.165 683 Y HA -0.304 4.284 4.550 0.064 0.000 0.286 683 Y C 2.416 178.277 175.900 -0.065 0.000 1.155 683 Y CA 1.458 59.527 58.100 -0.052 0.000 1.164 683 Y CB -0.472 37.966 38.460 -0.036 0.000 0.978 683 Y HN 0.037 nan 8.280 nan 0.000 0.513 684 Y N 0.326 120.502 120.300 -0.206 0.000 2.102 684 Y HA -0.344 4.244 4.550 0.064 0.000 0.280 684 Y C 2.110 177.813 175.900 -0.327 0.000 1.178 684 Y CA 2.278 60.228 58.100 -0.250 0.000 1.146 684 Y CB -0.493 37.826 38.460 -0.235 0.000 0.968 684 Y HN 0.147 nan 8.280 nan 0.000 0.504 685 L N -1.243 119.909 121.223 -0.120 0.000 2.156 685 L HA -0.220 4.158 4.340 0.064 0.000 0.208 685 L C 2.380 179.133 176.870 -0.196 0.000 1.095 685 L CA 1.107 55.856 54.840 -0.152 0.000 0.770 685 L CB -0.437 41.487 42.059 -0.224 0.000 0.914 685 L HN 0.269 nan 8.230 nan 0.000 0.439 686 M N -0.727 118.698 119.600 -0.292 0.000 2.175 686 M HA -0.196 4.322 4.480 0.064 0.000 0.264 686 M C 2.230 178.285 176.300 -0.408 0.000 1.063 686 M CA 1.583 56.703 55.300 -0.300 0.000 1.119 686 M CB -0.286 32.136 32.600 -0.298 0.000 1.377 686 M HN 0.221 nan 8.290 nan 0.000 0.415 687 E N 0.636 120.418 120.200 -0.697 0.000 2.046 687 E HA -0.158 4.231 4.350 0.064 0.000 0.190 687 E C 2.013 178.286 176.600 -0.546 0.000 0.982 687 E CA 1.188 57.141 56.400 -0.746 0.000 0.800 687 E CB 0.039 29.227 29.700 -0.852 0.000 0.756 687 E HN 0.455 nan 8.360 nan 0.000 0.449 688 A N 0.287 122.890 122.820 -0.362 0.000 1.940 688 A HA -0.211 4.147 4.320 0.064 0.000 0.219 688 A C 2.001 179.497 177.584 -0.147 0.000 1.176 688 A CA 1.448 53.364 52.037 -0.203 0.000 0.631 688 A CB -0.838 18.094 19.000 -0.114 0.000 0.814 688 A HN 0.546 nan 8.150 nan 0.000 0.446 689 Y N 0.382 120.532 120.300 -0.250 0.000 2.133 689 Y HA -0.186 4.403 4.550 0.064 0.000 0.287 689 Y C 2.417 178.201 175.900 -0.194 0.000 1.134 689 Y CA 2.318 60.299 58.100 -0.198 0.000 1.133 689 Y CB -0.269 38.088 38.460 -0.172 0.000 0.987 689 Y HN 0.270 nan 8.280 nan 0.000 0.502 690 K N -0.494 119.829 120.400 -0.129 0.000 2.127 690 K HA -0.270 4.088 4.320 0.064 0.000 0.208 690 K C 1.216 177.721 176.600 -0.158 0.000 1.047 690 K CA 2.239 58.414 56.287 -0.187 0.000 0.927 690 K CB -0.496 31.829 32.500 -0.291 0.000 0.716 690 K HN 0.610 nan 8.250 nan 0.000 0.450 691 H N -0.091 118.866 119.070 -0.187 0.000 2.536 691 H HA 0.176 4.770 4.556 0.064 0.000 0.276 691 H C 0.055 175.225 175.328 -0.264 0.000 1.019 691 H CA 0.152 56.083 56.048 -0.195 0.000 1.159 691 H CB 0.192 29.836 29.762 -0.197 0.000 1.373 691 H HN 0.135 nan 8.280 nan 0.000 0.584 692 L N 0.012 121.094 121.223 -0.235 0.000 4.140 692 L HA -0.255 4.123 4.340 0.064 0.000 0.406 692 L C -0.359 176.252 176.870 -0.433 0.000 1.175 692 L CA 0.536 55.139 54.840 -0.395 0.000 0.939 692 L CB -1.634 40.162 42.059 -0.439 0.000 2.105 692 L HN 0.265 nan 8.230 nan 0.000 0.803 693 K N 0.678 120.891 120.400 -0.311 0.000 2.118 693 K HA 0.494 4.853 4.320 0.064 0.000 0.267 693 K C -2.175 174.288 176.600 -0.230 0.000 0.991 693 K CA -1.764 54.358 56.287 -0.275 0.000 0.916 693 K CB 0.860 33.255 32.500 -0.175 0.000 1.041 693 K HN -0.235 nan 8.250 nan 0.000 0.455 694 P HA 0.030 nan 4.420 nan 0.000 0.265 694 P C -0.831 176.405 177.300 -0.107 0.000 1.193 694 P CA 0.407 63.406 63.100 -0.168 0.000 0.765 694 P CB 0.428 32.030 31.700 -0.164 0.000 0.823 695 I N 1.997 122.517 120.570 -0.082 0.000 2.509 695 I HA 0.629 4.837 4.170 0.064 0.000 0.293 695 I C -0.251 175.821 176.117 -0.076 0.000 1.020 695 I CA -0.767 60.505 61.300 -0.046 0.000 1.088 695 I CB 2.151 40.153 38.000 0.003 0.000 1.267 695 I HN 0.252 nan 8.210 nan 0.000 0.430 696 A N 7.547 130.333 122.820 -0.057 0.000 2.343 696 A HA 0.861 5.219 4.320 0.064 0.000 0.308 696 A C -1.127 176.567 177.584 0.184 0.000 1.092 696 A CA -0.425 51.553 52.037 -0.099 0.000 0.751 696 A CB 0.909 19.703 19.000 -0.342 0.000 1.203 696 A HN 0.654 nan 8.150 nan 0.000 0.452 697 L N 2.278 123.661 121.223 0.265 0.000 2.349 697 L HA 0.726 5.104 4.340 0.064 0.000 0.278 697 L C 0.249 177.332 176.870 0.356 0.000 0.996 697 L CA -0.580 54.428 54.840 0.279 0.000 0.825 697 L CB 1.993 44.163 42.059 0.185 0.000 1.243 697 L HN 0.778 nan 8.230 nan 0.000 0.412 698 A N 2.398 125.336 122.820 0.197 0.000 2.304 698 A HA 0.837 5.195 4.320 0.064 0.000 0.323 698 A C 0.636 178.220 177.584 -0.000 0.000 1.195 698 A CA 0.298 52.326 52.037 -0.016 0.000 0.826 698 A CB 1.154 19.960 19.000 -0.323 0.000 1.184 698 A HN 0.988 nan 8.150 nan 0.000 0.496 699 G N 2.250 111.043 108.800 -0.012 0.000 2.611 699 G HA2 -0.342 3.657 3.960 0.064 0.000 0.301 699 G HA3 -0.342 3.657 3.960 0.064 0.000 0.301 699 G C 0.498 175.403 174.900 0.007 0.000 1.233 699 G CA 0.865 45.958 45.100 -0.011 0.000 0.993 699 G HN 0.702 nan 8.290 nan 0.000 0.553 700 D N 1.296 121.693 120.400 -0.005 0.000 2.351 700 D HA 0.203 4.882 4.640 0.064 0.000 0.216 700 D C 2.579 178.870 176.300 -0.016 0.000 0.968 700 D CA 1.668 55.656 54.000 -0.020 0.000 0.899 700 D CB -0.647 40.133 40.800 -0.033 0.000 0.907 700 D HN 0.822 nan 8.370 nan 0.000 0.514 701 A N 0.605 123.458 122.820 0.055 0.000 2.070 701 A HA -0.186 4.172 4.320 0.064 0.000 0.220 701 A C 2.053 179.745 177.584 0.180 0.000 1.159 701 A CA 0.865 53.007 52.037 0.176 0.000 0.656 701 A CB -0.397 18.738 19.000 0.226 0.000 0.800 701 A HN 0.143 nan 8.150 nan 0.000 0.453 702 R N -0.187 120.368 120.500 0.092 0.000 2.200 702 R HA -0.101 4.277 4.340 0.064 0.000 0.234 702 R C 1.593 177.902 176.300 0.014 0.000 1.127 702 R CA 1.079 57.221 56.100 0.071 0.000 0.989 702 R CB -0.149 30.181 30.300 0.049 0.000 0.869 702 R HN 0.362 nan 8.270 nan 0.000 0.459 703 K N -0.038 120.319 120.400 -0.073 0.000 2.281 703 K HA -0.148 4.210 4.320 0.064 0.000 0.203 703 K C 1.508 177.991 176.600 -0.196 0.000 1.046 703 K CA 1.209 57.395 56.287 -0.168 0.000 0.938 703 K CB -0.135 32.200 32.500 -0.275 0.000 0.737 703 K HN 0.276 nan 8.250 nan 0.000 0.458 704 F N 1.337 121.264 119.950 -0.039 0.000 2.558 704 F HA -0.046 4.519 4.527 0.064 0.000 0.298 704 F C 2.004 177.757 175.800 -0.079 0.000 1.119 704 F CA 0.562 58.527 58.000 -0.059 0.000 1.451 704 F CB 0.006 38.970 39.000 -0.059 0.000 1.091 704 F HN -0.048 nan 8.300 nan 0.000 0.563 705 K N 0.388 120.840 120.400 0.087 0.000 2.228 705 K HA -0.236 4.123 4.320 0.064 0.000 0.205 705 K C 2.217 178.792 176.600 -0.041 0.000 1.045 705 K CA 1.204 57.491 56.287 0.001 0.000 0.931 705 K CB -0.374 32.123 32.500 -0.005 0.000 0.727 705 K HN 0.286 nan 8.250 nan 0.000 0.458 706 A N 0.867 123.670 122.820 -0.027 0.000 1.968 706 A HA -0.109 4.250 4.320 0.064 0.000 0.217 706 A C 2.096 179.653 177.584 -0.045 0.000 1.169 706 A CA 1.728 53.739 52.037 -0.043 0.000 0.638 706 A CB -0.654 18.320 19.000 -0.044 0.000 0.812 706 A HN 0.350 nan 8.150 nan 0.000 0.446 707 T N 0.526 115.070 114.554 -0.016 0.000 2.951 707 T HA -0.015 4.373 4.350 0.064 0.000 0.268 707 T C 1.430 176.061 174.700 -0.115 0.000 1.073 707 T CA 1.204 63.287 62.100 -0.028 0.000 1.134 707 T CB -0.549 68.340 68.868 0.034 0.000 0.884 707 T HN 0.710 nan 8.240 nan 0.000 0.479 708 I N -1.565 118.883 120.570 -0.203 0.000 3.858 708 I HA 0.508 4.716 4.170 0.064 0.000 0.325 708 I C 0.463 176.357 176.117 -0.372 0.000 1.403 708 I CA -0.565 60.476 61.300 -0.433 0.000 1.169 708 I CB -0.311 37.222 38.000 -0.778 0.000 1.077 708 I HN -0.082 nan 8.210 nan 0.000 0.403 709 K N 1.446 121.732 120.400 -0.190 0.000 3.003 709 K HA -0.166 4.192 4.320 0.064 0.000 0.257 709 K C -0.843 175.696 176.600 -0.102 0.000 0.958 709 K CA 0.728 56.946 56.287 -0.116 0.000 0.707 709 K CB -1.297 31.151 32.500 -0.085 0.000 1.279 709 K HN 0.789 nan 8.250 nan 0.000 0.479 710 I N -1.540 118.961 120.570 -0.115 0.000 2.771 710 I HA 0.482 4.691 4.170 0.064 0.000 0.291 710 I C -1.215 174.879 176.117 -0.038 0.000 1.527 710 I CA 0.495 61.757 61.300 -0.062 0.000 1.024 710 I CB 1.509 39.490 38.000 -0.032 0.000 1.388 710 I HN 0.386 nan 8.210 nan 0.000 0.447 711 A N 4.456 127.271 122.820 -0.009 0.000 2.923 711 A HA -0.158 4.200 4.320 0.064 0.000 0.668 711 A C -0.020 177.560 177.584 -0.007 0.000 1.313 711 A CA 1.461 53.498 52.037 -0.000 0.000 1.501 711 A CB -0.845 18.163 19.000 0.014 0.000 3.124 711 A HN 1.065 nan 8.150 nan 0.000 0.572 712 D N -1.286 119.113 120.400 -0.002 0.000 2.218 712 D HA 0.093 4.772 4.640 0.064 0.000 0.307 712 D C 1.276 177.577 176.300 0.003 0.000 1.086 712 D CA 0.230 54.228 54.000 -0.002 0.000 0.886 712 D CB -0.197 40.599 40.800 -0.006 0.000 1.645 712 D HN 0.430 nan 8.370 nan 0.000 0.523 713 Q N 1.273 121.075 119.800 0.004 0.000 2.437 713 Q HA 0.213 4.591 4.340 0.064 0.000 0.210 713 Q C 1.153 177.157 176.000 0.007 0.000 0.972 713 Q CA 1.313 57.120 55.803 0.006 0.000 0.903 713 Q CB 0.163 28.904 28.738 0.005 0.000 0.967 713 Q HN 0.417 nan 8.270 nan 0.000 0.486 714 G N 0.919 109.724 108.800 0.008 0.000 2.592 714 G HA2 -0.154 3.845 3.960 0.064 0.000 0.684 714 G HA3 -0.154 3.845 3.960 0.064 0.000 0.684 714 G C -1.373 173.533 174.900 0.011 0.000 1.291 714 G CA -0.537 44.569 45.100 0.009 0.000 0.891 714 G HN 0.130 nan 8.290 nan 0.000 0.544 715 E N -0.450 119.757 120.200 0.012 0.000 2.308 715 E HA 0.461 4.850 4.350 0.064 0.000 0.275 715 E C -0.346 176.249 176.600 -0.008 0.000 0.890 715 E CA -0.660 55.749 56.400 0.015 0.000 0.754 715 E CB 1.551 31.282 29.700 0.052 0.000 1.207 715 E HN 0.555 nan 8.360 nan 0.000 0.426 716 E N 0.934 121.121 120.200 -0.021 0.000 2.465 716 E HA 0.205 4.594 4.350 0.064 0.000 0.260 716 E C 0.753 177.312 176.600 -0.070 0.000 0.980 716 E CA 1.794 58.166 56.400 -0.047 0.000 0.927 716 E CB 0.559 30.230 29.700 -0.048 0.000 0.934 716 E HN 0.797 nan 8.360 nan 0.000 0.459 717 G N 3.150 111.894 108.800 -0.094 0.000 2.259 717 G HA2 -0.196 3.803 3.960 0.064 0.000 0.217 717 G HA3 -0.196 3.803 3.960 0.064 0.000 0.217 717 G C -0.027 174.821 174.900 -0.087 0.000 1.001 717 G CA -0.396 44.630 45.100 -0.123 0.000 0.627 717 G HN 0.404 nan 8.290 nan 0.000 0.501 718 I N 2.170 122.711 120.570 -0.048 0.000 2.382 718 I HA 0.526 4.735 4.170 0.064 0.000 0.285 718 I C 0.382 176.454 176.117 -0.076 0.000 1.007 718 I CA -1.303 59.977 61.300 -0.034 0.000 1.142 718 I CB 1.237 39.252 38.000 0.025 0.000 1.289 718 I HN -0.080 nan 8.210 nan 0.000 0.453 719 V N 7.236 127.059 119.914 -0.153 0.000 2.509 719 V HA 0.464 4.623 4.120 0.064 0.000 0.284 719 V C 0.171 176.167 176.094 -0.163 0.000 1.047 719 V CA -0.403 61.745 62.300 -0.252 0.000 0.952 719 V CB 1.451 32.965 31.823 -0.514 0.000 0.988 719 V HN 0.889 nan 8.190 nan 0.000 0.469 720 E N 4.063 124.255 120.200 -0.013 0.000 2.363 720 E HA 0.841 5.230 4.350 0.064 0.000 0.281 720 E C -1.126 175.620 176.600 0.244 0.000 0.953 720 E CA -0.897 55.614 56.400 0.185 0.000 0.778 720 E CB 2.349 32.111 29.700 0.103 0.000 1.220 720 E HN 0.866 nan 8.360 nan 0.000 0.431 721 A N 2.051 125.042 122.820 0.285 0.000 2.566 721 A HA 0.366 4.725 4.320 0.064 0.000 0.290 721 A C -0.551 177.073 177.584 0.067 0.000 1.071 721 A CA -0.585 51.556 52.037 0.175 0.000 0.658 721 A CB 1.190 20.333 19.000 0.239 0.000 1.285 721 A HN 0.606 nan 8.150 nan 0.000 0.427 722 D N 0.515 120.927 120.400 0.020 0.000 2.178 722 D HA 0.037 4.715 4.640 0.064 0.000 0.201 722 D C 1.047 177.307 176.300 -0.067 0.000 0.980 722 D CA 2.286 56.277 54.000 -0.015 0.000 0.842 722 D CB 0.126 40.918 40.800 -0.013 0.000 0.948 722 D HN 0.790 nan 8.370 nan 0.000 0.472 723 S N -1.358 114.272 115.700 -0.116 0.000 2.618 723 S HA 0.680 5.188 4.470 0.064 0.000 0.277 723 S C -1.035 173.296 174.600 -0.448 0.000 1.138 723 S CA -0.878 57.192 58.200 -0.217 0.000 0.844 723 S CB 2.244 65.362 63.200 -0.137 0.000 1.127 723 S HN 0.018 nan 8.310 nan 0.000 0.474 724 A N 1.958 124.405 122.820 -0.622 0.000 2.347 724 A HA 0.635 4.994 4.320 0.064 0.000 0.287 724 A C -0.130 177.250 177.584 -0.341 0.000 1.199 724 A CA -0.155 51.310 52.037 -0.953 0.000 0.851 724 A CB -0.883 17.653 19.000 -0.773 0.000 1.118 724 A HN 0.957 nan 8.150 nan 0.000 0.525 725 D N 1.156 121.480 120.400 -0.127 0.000 2.837 725 D HA 0.538 5.216 4.640 0.064 0.000 0.294 725 D C 1.216 177.572 176.300 0.094 0.000 1.158 725 D CA 0.075 54.075 54.000 0.000 0.000 1.073 725 D CB -0.008 40.792 40.800 0.001 0.000 1.419 725 D HN 0.242 nan 8.370 nan 0.000 0.584 726 G N -0.467 108.371 108.800 0.064 0.000 2.459 726 G HA2 -0.305 3.694 3.960 0.064 0.000 0.217 726 G HA3 -0.305 3.694 3.960 0.064 0.000 0.217 726 G C 1.504 176.455 174.900 0.085 0.000 1.183 726 G CA 1.516 46.655 45.100 0.065 0.000 0.776 726 G HN 0.438 nan 8.290 nan 0.000 0.552 727 S N -0.305 115.449 115.700 0.090 0.000 2.356 727 S HA -0.120 4.388 4.470 0.064 0.000 0.223 727 S C 2.070 176.743 174.600 0.122 0.000 1.032 727 S CA 1.487 59.739 58.200 0.086 0.000 1.005 727 S CB -0.440 62.805 63.200 0.075 0.000 0.867 727 S HN 0.378 nan 8.310 nan 0.000 0.449 728 F N 1.810 121.759 119.950 -0.002 0.000 2.095 728 F HA -0.128 4.438 4.527 0.064 0.000 0.298 728 F C 2.119 177.916 175.800 -0.005 0.000 1.104 728 F CA 1.817 59.815 58.000 -0.002 0.000 1.232 728 F CB -0.293 38.707 39.000 -0.000 0.000 0.987 728 F HN 0.213 nan 8.300 nan 0.000 0.475 729 M N 0.174 119.932 119.600 0.264 0.000 2.175 729 M HA -0.155 4.364 4.480 0.064 0.000 0.264 729 M C 1.809 178.120 176.300 0.018 0.000 1.063 729 M CA 1.311 56.691 55.300 0.134 0.000 1.119 729 M CB -1.390 31.307 32.600 0.163 0.000 1.377 729 M HN 0.115 nan 8.290 nan 0.000 0.415 730 D N 0.518 120.933 120.400 0.024 0.000 2.123 730 D HA -0.157 4.522 4.640 0.064 0.000 0.196 730 D C 1.993 178.271 176.300 -0.038 0.000 0.992 730 D CA 1.219 55.218 54.000 -0.002 0.000 0.833 730 D CB -0.115 40.691 40.800 0.010 0.000 0.954 730 D HN 0.471 nan 8.370 nan 0.000 0.455 731 E N 0.084 120.245 120.200 -0.065 0.000 2.077 731 E HA -0.119 4.269 4.350 0.064 0.000 0.193 731 E C 2.080 178.596 176.600 -0.139 0.000 0.989 731 E CA 0.218 56.556 56.400 -0.103 0.000 0.800 731 E CB -0.022 29.599 29.700 -0.132 0.000 0.746 731 E HN 0.165 nan 8.360 nan 0.000 0.452 732 L N 0.985 122.095 121.223 -0.188 0.000 2.027 732 L HA -0.140 4.239 4.340 0.064 0.000 0.206 732 L C 2.152 178.956 176.870 -0.109 0.000 1.074 732 L CA 1.511 56.236 54.840 -0.192 0.000 0.745 732 L CB -0.504 41.411 42.059 -0.240 0.000 0.898 732 L HN 0.223 nan 8.230 nan 0.000 0.433 733 L N -0.353 120.827 121.223 -0.071 0.000 2.131 733 L HA -0.210 4.168 4.340 0.064 0.000 0.210 733 L C 2.468 179.314 176.870 -0.040 0.000 1.092 733 L CA 1.557 56.371 54.840 -0.043 0.000 0.759 733 L CB -0.808 41.237 42.059 -0.023 0.000 0.903 733 L HN 0.262 nan 8.230 nan 0.000 0.435 734 T N 0.158 114.685 114.554 -0.046 0.000 2.708 734 T HA -0.164 4.225 4.350 0.064 0.000 0.266 734 T C 1.962 176.631 174.700 -0.052 0.000 1.037 734 T CA 1.241 63.319 62.100 -0.038 0.000 1.146 734 T CB -0.272 68.574 68.868 -0.037 0.000 0.865 734 T HN 0.192 nan 8.240 nan 0.000 0.435 735 L N 0.282 121.455 121.223 -0.084 0.000 2.042 735 L HA -0.142 4.236 4.340 0.064 0.000 0.210 735 L C 2.740 179.544 176.870 -0.110 0.000 1.076 735 L CA 1.450 56.219 54.840 -0.117 0.000 0.749 735 L CB -0.576 41.394 42.059 -0.148 0.000 0.893 735 L HN 0.321 nan 8.230 nan 0.000 0.432 736 M N -0.837 118.715 119.600 -0.080 0.000 2.159 736 M HA -0.175 4.343 4.480 0.064 0.000 0.263 736 M C 2.500 178.801 176.300 0.001 0.000 1.063 736 M CA 1.717 56.989 55.300 -0.047 0.000 1.110 736 M CB -0.495 32.087 32.600 -0.029 0.000 1.374 736 M HN 0.325 nan 8.290 nan 0.000 0.411 737 A N 0.307 123.128 122.820 0.003 0.000 2.024 737 A HA -0.036 4.323 4.320 0.064 0.000 0.220 737 A C 2.134 179.757 177.584 0.066 0.000 1.164 737 A CA 1.858 53.916 52.037 0.034 0.000 0.643 737 A CB -0.681 18.333 19.000 0.024 0.000 0.806 737 A HN 0.524 nan 8.150 nan 0.000 0.451 738 A N -2.949 119.889 122.820 0.030 0.000 2.275 738 A HA 0.378 4.736 4.320 0.064 0.000 0.212 738 A C 0.889 178.497 177.584 0.039 0.000 1.201 738 A CA 1.244 53.312 52.037 0.052 0.000 0.843 738 A CB -0.410 18.582 19.000 -0.012 0.000 0.873 738 A HN 1.009 nan 8.150 nan 0.000 0.492 739 H N -1.411 117.599 119.070 -0.100 0.000 4.806 739 H HA -0.175 4.419 4.556 0.064 0.000 0.061 739 H C 0.071 175.188 175.328 -0.350 0.000 0.604 739 H CA 2.297 58.271 56.048 -0.122 0.000 0.938 739 H CB -0.637 29.165 29.762 0.066 0.000 0.431 739 H HN 0.439 nan 8.280 nan 0.000 0.803 740 R N -0.267 119.662 120.500 -0.953 0.000 2.888 740 R HA 0.649 5.028 4.340 0.064 0.000 0.264 740 R C -0.648 174.812 176.300 -1.400 0.000 1.045 740 R CA -0.298 55.012 56.100 -1.316 0.000 0.962 740 R CB 1.697 30.879 30.300 -1.864 0.000 1.210 740 R HN 0.087 nan 8.270 nan 0.000 0.479 741 V N 2.258 121.550 119.914 -1.037 0.000 2.184 741 V HA 0.124 4.282 4.120 0.064 0.000 0.262 741 V C 0.607 176.335 176.094 -0.610 0.000 1.209 741 V CA -0.494 61.389 62.300 -0.695 0.000 1.070 741 V CB -0.130 31.417 31.823 -0.460 0.000 1.244 741 V HN 0.710 nan 8.190 nan 0.000 0.477 742 W N 1.513 122.534 121.300 -0.465 0.000 2.363 742 W HA -0.202 4.497 4.660 0.064 0.000 0.296 742 W C 2.569 178.878 176.519 -0.349 0.000 1.212 742 W CA 0.994 57.979 57.345 -0.600 0.000 1.260 742 W CB -0.485 28.253 29.460 -1.205 0.000 1.131 742 W HN 0.643 nan 8.180 nan 0.000 0.530 743 S N 0.920 116.575 115.700 -0.075 0.000 2.493 743 S HA -0.212 4.296 4.470 0.064 0.000 0.243 743 S C 1.719 176.279 174.600 -0.066 0.000 0.991 743 S CA 1.225 59.397 58.200 -0.047 0.000 0.957 743 S CB -0.466 62.706 63.200 -0.047 0.000 0.756 743 S HN 0.451 nan 8.310 nan 0.000 0.521 744 R N 0.495 120.915 120.500 -0.132 0.000 2.280 744 R HA 0.293 4.671 4.340 0.064 0.000 0.195 744 R C 1.826 178.060 176.300 -0.110 0.000 0.935 744 R CA 0.266 56.268 56.100 -0.163 0.000 1.033 744 R CB -0.304 29.787 30.300 -0.349 0.000 0.964 744 R HN 0.469 nan 8.270 nan 0.000 0.489 745 I N 1.982 122.523 120.570 -0.048 0.000 2.145 745 I HA -0.258 3.951 4.170 0.064 0.000 0.244 745 I C -0.814 175.329 176.117 0.044 0.000 1.075 745 I CA 1.555 62.872 61.300 0.028 0.000 1.332 745 I CB -0.870 37.194 38.000 0.107 0.000 1.033 745 I HN 0.180 nan 8.210 nan 0.000 0.410 746 P HA -0.165 nan 4.420 nan 0.000 0.219 746 P C 1.315 178.647 177.300 0.052 0.000 1.146 746 P CA 1.436 64.566 63.100 0.050 0.000 0.808 746 P CB 0.031 31.756 31.700 0.042 0.000 0.779 747 K N -0.605 119.823 120.400 0.047 0.000 2.365 747 K HA 0.058 4.416 4.320 0.064 0.000 0.197 747 K C 1.904 178.574 176.600 0.116 0.000 1.042 747 K CA 0.491 56.829 56.287 0.086 0.000 0.987 747 K CB -0.442 32.133 32.500 0.125 0.000 0.779 747 K HN 0.262 nan 8.250 nan 0.000 0.484 748 I N -2.398 118.213 120.570 0.069 0.000 2.876 748 I HA -0.037 4.171 4.170 0.064 0.000 0.264 748 I C 1.148 177.311 176.117 0.076 0.000 1.204 748 I CA 1.085 62.429 61.300 0.074 0.000 1.485 748 I CB -0.029 37.970 38.000 -0.001 0.000 1.103 748 I HN -0.122 nan 8.210 nan 0.000 0.446 749 D N 2.027 122.472 120.400 0.075 0.000 2.190 749 D HA -0.183 4.496 4.640 0.064 0.000 0.200 749 D C 2.127 178.467 176.300 0.066 0.000 0.992 749 D CA 1.325 55.370 54.000 0.074 0.000 0.854 749 D CB 0.026 40.870 40.800 0.073 0.000 0.936 749 D HN 0.376 nan 8.370 nan 0.000 0.462 750 K N -0.301 120.138 120.400 0.064 0.000 2.211 750 K HA 0.063 4.421 4.320 0.064 0.000 0.201 750 K C 0.802 177.430 176.600 0.048 0.000 1.052 750 K CA -0.058 56.260 56.287 0.053 0.000 0.973 750 K CB 0.129 32.657 32.500 0.047 0.000 0.766 750 K HN 0.295 nan 8.250 nan 0.000 0.466 751 I N 1.323 121.927 120.570 0.057 0.000 2.556 751 I HA 0.118 4.327 4.170 0.064 0.000 0.284 751 I C -2.401 173.738 176.117 0.037 0.000 1.114 751 I CA -1.619 59.705 61.300 0.041 0.000 1.418 751 I CB 0.546 38.578 38.000 0.054 0.000 1.394 751 I HN -0.147 nan 8.210 nan 0.000 0.552 752 P HA 0.506 nan 4.420 nan 0.000 0.245 752 P C -0.846 176.505 177.300 0.085 0.000 1.740 752 P CA -0.059 63.073 63.100 0.052 0.000 1.125 752 P CB 0.719 32.447 31.700 0.046 0.000 1.747 753 A N 0.000 122.869 122.820 0.082 0.000 2.254 753 A HA 0.000 4.358 4.320 0.064 0.000 0.244 753 A CA 0.000 52.125 52.037 0.147 0.000 0.836 753 A CB 0.000 18.946 19.000 -0.090 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486