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 1p7y_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 DTVRAIRGFA 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 0.000 176.283 176.300 -0.029 0.000 2.045 27 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.021 0.000 0.688 28 S N -0.319 115.363 115.700 -0.029 0.000 3.477 28 S HA -0.170 4.300 4.470 -0.000 0.000 0.371 28 S C -0.134 174.438 174.600 -0.046 0.000 0.965 28 S CA 1.384 59.564 58.200 -0.033 0.000 1.239 28 S CB -2.497 60.686 63.200 -0.027 0.000 0.918 28 S HN 0.634 nan 8.310 nan 0.000 0.498 29 L N -0.830 120.358 121.223 -0.058 0.000 2.397 29 L HA 1.025 5.365 4.340 -0.000 0.000 0.266 29 L C 0.976 177.766 176.870 -0.134 0.000 1.040 29 L CA -0.719 54.067 54.840 -0.089 0.000 0.800 29 L CB -0.333 41.680 42.059 -0.077 0.000 1.324 29 L HN 0.430 nan 8.230 nan 0.000 0.469 30 A N 0.161 122.838 122.820 -0.238 0.000 2.507 30 A HA 0.470 4.790 4.320 -0.000 0.000 0.235 30 A C -2.030 175.420 177.584 -0.224 0.000 1.070 30 A CA -0.628 51.149 52.037 -0.433 0.000 0.768 30 A CB -1.225 17.204 19.000 -0.953 0.000 1.011 30 A HN 0.689 nan 8.150 nan 0.000 0.502 31 P HA 0.075 nan 4.420 nan 0.000 0.269 31 P C 0.340 177.634 177.300 -0.010 0.000 1.209 31 P CA 0.015 63.097 63.100 -0.030 0.000 0.776 31 P CB 0.743 32.465 31.700 0.038 0.000 0.876 32 E N 1.988 122.188 120.200 -0.000 0.000 2.097 32 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 32 E C 1.116 177.739 176.600 0.038 0.000 1.000 32 E CA 1.932 58.338 56.400 0.011 0.000 0.804 32 E CB -0.417 29.287 29.700 0.007 0.000 0.740 32 E HN 0.521 nan 8.360 nan 0.000 0.454 33 D N -0.961 119.468 120.400 0.048 0.000 2.371 33 D HA -0.002 4.638 4.640 -0.000 0.000 0.234 33 D C 1.251 177.602 176.300 0.084 0.000 1.049 33 D CA 0.832 54.864 54.000 0.054 0.000 0.907 33 D CB -0.564 40.260 40.800 0.041 0.000 0.891 33 D HN 0.339 nan 8.370 nan 0.000 0.531 34 G N 0.635 109.528 108.800 0.155 0.000 2.200 34 G HA2 -0.386 3.573 3.960 -0.000 0.000 0.267 34 G HA3 -0.386 3.573 3.960 -0.000 0.000 0.267 34 G C 0.998 175.962 174.900 0.106 0.000 0.993 34 G CA 1.019 46.242 45.100 0.205 0.000 0.701 34 G HN 0.721 nan 8.290 nan 0.000 0.524 35 S N -0.278 115.502 115.700 0.133 0.000 2.660 35 S HA 0.101 4.571 4.470 -0.000 0.000 0.223 35 S C 1.589 176.224 174.600 0.059 0.000 0.963 35 S CA 1.045 59.278 58.200 0.055 0.000 0.932 35 S CB -0.566 62.668 63.200 0.057 0.000 0.775 35 S HN 0.997 nan 8.310 nan 0.000 0.531 36 H N 0.101 119.179 119.070 0.012 0.000 2.512 36 H HA 0.367 4.923 4.556 -0.000 0.000 0.279 36 H C 1.022 176.362 175.328 0.020 0.000 0.999 36 H CA -0.056 56.001 56.048 0.014 0.000 1.283 36 H CB -0.011 29.759 29.762 0.012 0.000 1.421 36 H HN 0.327 nan 8.280 nan 0.000 0.554 37 R N 2.021 122.173 120.500 -0.581 0.000 2.387 37 R HA 0.325 4.665 4.340 -0.000 0.000 0.314 37 R C -2.736 173.460 176.300 -0.175 0.000 0.958 37 R CA -2.483 53.392 56.100 -0.376 0.000 0.846 37 R CB 0.926 30.899 30.300 -0.544 0.000 1.147 37 R HN 0.091 nan 8.270 nan 0.000 0.447 38 P HA 0.045 nan 4.420 nan 0.000 0.268 38 P C -0.945 176.342 177.300 -0.022 0.000 1.204 38 P CA -0.142 62.943 63.100 -0.025 0.000 0.768 38 P CB 0.908 32.621 31.700 0.021 0.000 0.842 39 A N 3.044 125.857 122.820 -0.011 0.000 2.511 39 A HA 0.388 4.708 4.320 -0.000 0.000 0.242 39 A C 0.896 178.488 177.584 0.013 0.000 1.069 39 A CA 0.109 52.144 52.037 -0.003 0.000 0.763 39 A CB -0.301 18.701 19.000 0.002 0.000 1.001 39 A HN 0.570 nan 8.150 nan 0.000 0.498 40 A N 2.918 125.746 122.820 0.014 0.000 3.168 40 A HA 0.528 4.848 4.320 -0.000 0.000 0.260 40 A C 0.188 177.790 177.584 0.029 0.000 1.598 40 A CA -0.100 51.952 52.037 0.025 0.000 1.285 40 A CB -0.416 18.597 19.000 0.021 0.000 1.149 40 A HN 0.744 nan 8.150 nan 0.000 0.630 41 E N -0.032 120.187 120.200 0.032 0.000 2.430 41 E HA 0.376 4.726 4.350 -0.000 0.000 0.279 41 E C -3.147 173.475 176.600 0.036 0.000 1.003 41 E CA -1.998 54.423 56.400 0.034 0.000 0.801 41 E CB 1.371 31.086 29.700 0.025 0.000 1.313 41 E HN 0.028 nan 8.360 nan 0.000 0.459 42 P HA 0.095 nan 4.420 nan 0.000 0.263 42 P C -0.682 176.623 177.300 0.009 0.000 1.195 42 P CA 0.291 63.406 63.100 0.025 0.000 0.762 42 P CB 0.264 31.970 31.700 0.009 0.000 0.799 43 T N 0.987 115.539 114.554 -0.004 0.000 2.909 43 T HA 0.605 4.954 4.350 -0.000 0.000 0.299 43 T C -2.999 171.655 174.700 -0.078 0.000 1.073 43 T CA -2.745 59.344 62.100 -0.019 0.000 0.999 43 T CB 1.545 70.411 68.868 -0.004 0.000 1.098 43 T HN 0.022 nan 8.240 nan 0.000 0.477 44 P HA 0.299 nan 4.420 nan 0.000 0.269 44 P C -2.703 174.459 177.300 -0.231 0.000 1.215 44 P CA -1.409 61.493 63.100 -0.329 0.000 0.780 44 P CB -1.032 30.551 31.700 -0.196 0.000 0.898 45 P HA -0.001 nan 4.420 nan 0.000 0.260 45 P C 1.097 178.367 177.300 -0.050 0.000 1.172 45 P CA 1.584 64.611 63.100 -0.121 0.000 0.760 45 P CB -0.376 31.266 31.700 -0.098 0.000 0.773 46 G N 2.985 111.777 108.800 -0.013 0.000 2.184 46 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.264 46 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.264 46 G C 1.081 175.981 174.900 0.000 0.000 0.975 46 G CA 0.384 45.485 45.100 0.003 0.000 0.642 46 G HN 0.688 nan 8.290 nan 0.000 0.536 47 A N -1.461 121.354 122.820 -0.009 0.000 2.016 47 A HA 0.445 4.765 4.320 -0.000 0.000 0.217 47 A C 1.335 178.921 177.584 0.003 0.000 1.162 47 A CA 1.891 53.926 52.037 -0.004 0.000 0.662 47 A CB 0.057 19.051 19.000 -0.010 0.000 0.812 47 A HN 0.503 nan 8.150 nan 0.000 0.450 48 Q N -1.218 118.587 119.800 0.009 0.000 2.501 48 Q HA 0.419 4.758 4.340 -0.000 0.000 0.288 48 Q C -3.025 172.989 176.000 0.023 0.000 1.051 48 Q CA -2.071 53.741 55.803 0.014 0.000 0.788 48 Q CB 0.789 29.538 28.738 0.017 0.000 1.469 48 Q HN 0.020 nan 8.270 nan 0.000 0.416 49 P HA 0.046 nan 4.420 nan 0.000 0.268 49 P C -0.212 177.118 177.300 0.050 0.000 1.205 49 P CA 0.147 63.260 63.100 0.023 0.000 0.771 49 P CB 0.270 31.981 31.700 0.018 0.000 0.858 50 T N -0.158 114.430 114.554 0.055 0.000 2.828 50 T HA 0.656 5.006 4.350 -0.000 0.000 0.290 50 T C 0.005 174.795 174.700 0.151 0.000 1.019 50 T CA -0.480 61.704 62.100 0.141 0.000 1.031 50 T CB 0.842 69.755 68.868 0.077 0.000 1.001 50 T HN 0.561 nan 8.240 nan 0.000 0.531 51 A N 1.138 124.150 122.820 0.320 0.000 2.581 51 A HA 0.781 5.101 4.320 -0.000 0.000 0.290 51 A C -3.091 174.790 177.584 0.495 0.000 1.119 51 A CA -1.926 50.282 52.037 0.283 0.000 0.670 51 A CB 0.389 19.499 19.000 0.184 0.000 1.280 51 A HN 0.657 nan 8.150 nan 0.000 0.425 52 P HA 0.141 nan 4.420 nan 0.000 0.265 52 P C 1.140 178.591 177.300 0.251 0.000 1.187 52 P CA 0.925 64.255 63.100 0.382 0.000 0.766 52 P CB 0.516 32.355 31.700 0.231 0.000 0.820 53 G N 1.908 110.793 108.800 0.141 0.000 2.422 53 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 53 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 53 G C 1.512 176.422 174.900 0.016 0.000 1.146 53 G CA 1.006 46.110 45.100 0.007 0.000 0.769 53 G HN 0.592 nan 8.290 nan 0.000 0.547 54 S N -0.080 115.637 115.700 0.027 0.000 2.481 54 S HA 0.162 4.632 4.470 -0.000 0.000 0.231 54 S C 2.156 176.775 174.600 0.030 0.000 0.996 54 S CA 0.507 58.712 58.200 0.008 0.000 0.942 54 S CB -0.148 63.050 63.200 -0.004 0.000 0.768 54 S HN 0.301 nan 8.310 nan 0.000 0.520 55 L N -0.222 121.036 121.223 0.058 0.000 2.354 55 L HA 0.296 4.636 4.340 -0.000 0.000 0.212 55 L C 2.596 179.500 176.870 0.057 0.000 1.091 55 L CA 0.690 55.565 54.840 0.058 0.000 0.828 55 L CB -0.281 41.822 42.059 0.073 0.000 0.973 55 L HN 0.250 nan 8.230 nan 0.000 0.461 56 K N 1.328 121.770 120.400 0.071 0.000 2.167 56 K HA 0.088 4.408 4.320 -0.000 0.000 0.203 56 K C 0.617 177.245 176.600 0.046 0.000 1.052 56 K CA 1.010 57.338 56.287 0.067 0.000 0.956 56 K CB 0.254 32.810 32.500 0.093 0.000 0.735 56 K HN 0.134 nan 8.250 nan 0.000 0.451 57 A N 0.749 123.587 122.820 0.030 0.000 3.266 57 A HA 0.350 4.669 4.320 -0.000 0.000 0.310 57 A C -2.289 175.297 177.584 0.003 0.000 1.066 57 A CA -1.013 51.038 52.037 0.022 0.000 0.839 57 A CB 0.693 19.706 19.000 0.021 0.000 1.192 57 A HN 0.087 nan 8.150 nan 0.000 0.496 58 P HA -0.119 nan 4.420 nan 0.000 0.218 58 P C 0.236 177.529 177.300 -0.013 0.000 1.149 58 P CA 1.254 64.352 63.100 -0.003 0.000 0.817 58 P CB 0.277 31.981 31.700 0.005 0.000 0.785 59 D N -1.032 119.364 120.400 -0.006 0.000 2.355 59 D HA -0.006 4.634 4.640 -0.000 0.000 0.218 59 D C 0.345 176.632 176.300 -0.023 0.000 1.004 59 D CA 0.642 54.636 54.000 -0.011 0.000 0.880 59 D CB -0.677 40.125 40.800 0.003 0.000 0.911 59 D HN 0.124 nan 8.370 nan 0.000 0.528 60 T N 2.160 116.696 114.554 -0.029 0.000 2.727 60 T HA 0.353 4.703 4.350 -0.000 0.000 0.295 60 T C 0.499 175.154 174.700 -0.075 0.000 0.915 60 T CA -0.223 61.846 62.100 -0.052 0.000 1.066 60 T CB 0.736 69.567 68.868 -0.063 0.000 0.891 60 T HN -0.028 nan 8.240 nan 0.000 0.516 61 R N 2.952 123.404 120.500 -0.081 0.000 2.888 61 R HA 0.742 5.081 4.340 -0.000 0.000 0.266 61 R C -0.530 175.711 176.300 -0.098 0.000 1.020 61 R CA -1.143 54.902 56.100 -0.091 0.000 0.963 61 R CB 1.400 31.653 30.300 -0.079 0.000 1.197 61 R HN 0.710 nan 8.270 nan 0.000 0.481 62 N N -1.574 117.069 118.700 -0.094 0.000 3.046 62 N HA -0.011 4.729 4.740 -0.000 0.000 0.243 62 N C -0.202 175.260 175.510 -0.079 0.000 1.452 62 N CA -0.916 52.091 53.050 -0.072 0.000 0.882 62 N CB 0.916 39.391 38.487 -0.021 0.000 1.425 62 N HN 0.681 nan 8.380 nan 0.000 0.517 63 E N -0.200 119.966 120.200 -0.056 0.000 2.110 63 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 63 E C 1.015 177.541 176.600 -0.123 0.000 0.988 63 E CA 1.322 57.683 56.400 -0.066 0.000 0.804 63 E CB 0.123 29.810 29.700 -0.021 0.000 0.745 63 E HN 0.480 nan 8.360 nan 0.000 0.458 64 K N 0.708 120.995 120.400 -0.188 0.000 2.031 64 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 64 K C 2.056 178.485 176.600 -0.286 0.000 1.049 64 K CA 1.107 57.187 56.287 -0.346 0.000 0.939 64 K CB -0.486 31.618 32.500 -0.660 0.000 0.717 64 K HN 0.168 nan 8.250 nan 0.000 0.438 65 L N 0.941 122.007 121.223 -0.262 0.000 1.990 65 L HA -0.294 4.046 4.340 -0.000 0.000 0.213 65 L C 2.011 178.758 176.870 -0.205 0.000 1.072 65 L CA 1.695 56.354 54.840 -0.302 0.000 0.755 65 L CB -0.749 41.133 42.059 -0.294 0.000 0.889 65 L HN 0.289 nan 8.230 nan 0.000 0.432 66 N N -0.130 118.479 118.700 -0.151 0.000 2.069 66 N HA -0.179 4.561 4.740 -0.000 0.000 0.191 66 N C 2.022 177.469 175.510 -0.104 0.000 1.031 66 N CA 1.798 54.783 53.050 -0.109 0.000 0.852 66 N CB -0.593 37.845 38.487 -0.083 0.000 1.018 66 N HN 0.410 nan 8.380 nan 0.000 0.423 67 S N 0.594 116.223 115.700 -0.119 0.000 2.442 67 S HA -0.019 4.451 4.470 -0.000 0.000 0.236 67 S C 1.863 176.399 174.600 -0.107 0.000 1.007 67 S CA 0.516 58.654 58.200 -0.103 0.000 0.965 67 S CB -0.590 62.544 63.200 -0.109 0.000 0.773 67 S HN 0.277 nan 8.310 nan 0.000 0.504 68 L N 0.763 121.907 121.223 -0.132 0.000 2.551 68 L HA 0.103 4.443 4.340 -0.000 0.000 0.228 68 L C 2.677 179.498 176.870 -0.081 0.000 1.153 68 L CA 0.816 55.587 54.840 -0.115 0.000 0.851 68 L CB -0.523 41.450 42.059 -0.142 0.000 0.959 68 L HN 0.308 nan 8.230 nan 0.000 0.451 69 E N 1.107 121.263 120.200 -0.074 0.000 2.160 69 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 69 E C 1.682 178.259 176.600 -0.037 0.000 0.991 69 E CA 1.551 57.921 56.400 -0.051 0.000 0.810 69 E CB -0.033 29.639 29.700 -0.046 0.000 0.742 69 E HN 0.587 nan 8.360 nan 0.000 0.466 70 D N -0.535 119.843 120.400 -0.038 0.000 2.263 70 D HA -0.150 4.489 4.640 -0.000 0.000 0.208 70 D C 1.641 177.926 176.300 -0.024 0.000 0.971 70 D CA 1.546 55.530 54.000 -0.027 0.000 0.867 70 D CB -0.362 40.422 40.800 -0.027 0.000 0.929 70 D HN 0.321 nan 8.370 nan 0.000 0.492 71 V N -3.651 116.246 119.914 -0.029 0.000 3.528 71 V HA 0.303 4.423 4.120 -0.000 0.000 0.294 71 V C 0.851 176.935 176.094 -0.017 0.000 1.404 71 V CA -0.709 61.578 62.300 -0.021 0.000 1.065 71 V CB -0.432 31.378 31.823 -0.021 0.000 0.904 71 V HN -0.148 nan 8.190 nan 0.000 0.435 72 R N 2.076 122.564 120.500 -0.020 0.000 2.623 72 R HA 0.386 4.726 4.340 -0.000 0.000 0.271 72 R C -0.269 176.025 176.300 -0.010 0.000 1.043 72 R CA 0.193 56.287 56.100 -0.009 0.000 1.083 72 R CB 0.554 30.850 30.300 -0.007 0.000 0.974 72 R HN 0.393 nan 8.270 nan 0.000 0.436 73 K N 0.807 121.203 120.400 -0.007 0.000 2.426 73 K HA 0.323 4.643 4.320 -0.000 0.000 0.254 73 K C -0.022 176.571 176.600 -0.013 0.000 0.936 73 K CA -0.404 55.861 56.287 -0.036 0.000 0.801 73 K CB 1.803 34.267 32.500 -0.061 0.000 1.139 73 K HN 0.675 nan 8.250 nan 0.000 0.424 74 G N 0.759 109.554 108.800 -0.007 0.000 2.580 74 G HA2 0.290 4.249 3.960 -0.000 0.000 0.225 74 G HA3 0.290 4.249 3.960 -0.000 0.000 0.225 74 G C 0.325 175.267 174.900 0.069 0.000 1.521 74 G CA 0.430 45.581 45.100 0.084 0.000 1.068 74 G HN 0.853 nan 8.290 nan 0.000 0.564 75 S N -2.842 112.995 115.700 0.229 0.000 3.327 75 S HA 0.027 4.497 4.470 -0.000 0.000 0.175 75 S C 0.164 174.958 174.600 0.322 0.000 0.888 75 S CA 0.174 58.507 58.200 0.222 0.000 1.332 75 S CB -0.344 62.922 63.200 0.110 0.000 1.191 75 S HN 0.498 nan 8.310 nan 0.000 0.367 76 E N 2.976 123.302 120.200 0.211 0.000 2.452 76 E HA 0.308 4.658 4.350 -0.000 0.000 0.261 76 E C -0.175 176.430 176.600 0.010 0.000 0.987 76 E CA 0.507 56.971 56.400 0.106 0.000 0.926 76 E CB 0.017 29.754 29.700 0.062 0.000 0.934 76 E HN 0.449 nan 8.360 nan 0.000 0.452 77 N N 0.381 119.061 118.700 -0.034 0.000 2.878 77 N HA -0.206 4.534 4.740 -0.000 0.000 0.247 77 N C -1.276 174.127 175.510 -0.178 0.000 1.021 77 N CA 1.149 54.114 53.050 -0.141 0.000 0.873 77 N CB -1.399 36.943 38.487 -0.242 0.000 1.128 77 N HN 0.384 nan 8.380 nan 0.000 0.571 78 Y N 0.342 120.647 120.300 0.007 0.000 2.487 78 Y HA 0.677 5.227 4.550 -0.000 0.000 0.337 78 Y C 0.676 176.578 175.900 0.003 0.000 1.076 78 Y CA -0.680 57.423 58.100 0.006 0.000 1.115 78 Y CB 1.278 39.742 38.460 0.007 0.000 1.235 78 Y HN 0.109 nan 8.280 nan 0.000 0.468 79 A N 2.444 125.378 122.820 0.191 0.000 2.401 79 A HA 0.420 4.740 4.320 -0.000 0.000 0.259 79 A C -0.758 176.869 177.584 0.072 0.000 1.103 79 A CA -0.515 51.581 52.037 0.098 0.000 0.789 79 A CB 0.060 19.106 19.000 0.077 0.000 1.035 79 A HN 0.695 nan 8.150 nan 0.000 0.491 80 L N 3.502 124.749 121.223 0.041 0.000 2.513 80 L HA 0.413 4.752 4.340 -0.000 0.000 0.272 80 L C 0.729 177.602 176.870 0.005 0.000 1.187 80 L CA 1.495 56.343 54.840 0.014 0.000 0.895 80 L CB -0.080 41.980 42.059 0.001 0.000 1.147 80 L HN 0.926 nan 8.230 nan 0.000 0.483 81 T N 0.514 115.064 114.554 -0.006 0.000 2.838 81 T HA 0.693 5.042 4.350 -0.000 0.000 0.292 81 T C 0.232 174.926 174.700 -0.010 0.000 1.113 81 T CA -0.186 61.913 62.100 -0.002 0.000 1.008 81 T CB 1.032 69.903 68.868 0.005 0.000 1.259 81 T HN 0.783 nan 8.240 nan 0.000 0.520 82 T N 0.056 114.616 114.554 0.011 0.000 2.729 82 T HA 0.263 4.612 4.350 -0.000 0.000 0.298 82 T C 1.005 175.715 174.700 0.016 0.000 1.013 82 T CA -0.518 61.594 62.100 0.020 0.000 0.957 82 T CB -0.093 68.824 68.868 0.082 0.000 1.130 82 T HN 0.573 nan 8.240 nan 0.000 0.526 83 N N 0.328 119.044 118.700 0.026 0.000 2.494 83 N HA -0.039 4.700 4.740 -0.000 0.000 0.182 83 N C 1.568 177.096 175.510 0.030 0.000 1.076 83 N CA 0.425 53.484 53.050 0.015 0.000 0.908 83 N CB -0.104 38.399 38.487 0.027 0.000 0.967 83 N HN 0.535 nan 8.380 nan 0.000 0.449 84 Q N -0.404 119.428 119.800 0.053 0.000 2.403 84 Q HA 0.179 4.519 4.340 -0.000 0.000 0.203 84 Q C 0.858 176.882 176.000 0.041 0.000 0.932 84 Q CA 0.212 56.044 55.803 0.049 0.000 0.945 84 Q CB 0.445 29.221 28.738 0.063 0.000 1.045 84 Q HN 0.414 nan 8.270 nan 0.000 0.511 85 G N 0.339 109.161 108.800 0.036 0.000 2.157 85 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.239 85 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.239 85 G C 0.119 175.045 174.900 0.043 0.000 0.982 85 G CA 0.126 45.243 45.100 0.028 0.000 0.650 85 G HN 0.213 nan 8.290 nan 0.000 0.527 86 V N 1.597 121.552 119.914 0.068 0.000 2.461 86 V HA 0.396 4.516 4.120 -0.000 0.000 0.275 86 V C 1.277 177.407 176.094 0.061 0.000 1.047 86 V CA -0.489 61.862 62.300 0.085 0.000 0.955 86 V CB 1.090 33.011 31.823 0.162 0.000 0.988 86 V HN 0.411 nan 8.190 nan 0.000 0.471 87 R N 4.117 124.647 120.500 0.050 0.000 2.543 87 R HA 0.417 4.756 4.340 -0.000 0.000 0.277 87 R C -0.517 175.792 176.300 0.015 0.000 1.074 87 R CA -0.142 55.976 56.100 0.031 0.000 1.076 87 R CB 0.559 30.877 30.300 0.031 0.000 0.993 87 R HN 0.583 nan 8.270 nan 0.000 0.459 88 I N 2.084 122.652 120.570 -0.004 0.000 2.331 88 I HA 0.135 4.305 4.170 -0.000 0.000 0.292 88 I C 0.923 177.027 176.117 -0.022 0.000 0.998 88 I CA -0.017 61.264 61.300 -0.031 0.000 1.267 88 I CB 1.864 39.834 38.000 -0.051 0.000 1.386 88 I HN 0.791 nan 8.210 nan 0.000 0.476 89 A N 4.187 126.992 122.820 -0.026 0.000 1.911 89 A HA 0.001 4.321 4.320 -0.000 0.000 0.212 89 A C 0.667 178.235 177.584 -0.027 0.000 1.189 89 A CA 0.976 53.001 52.037 -0.019 0.000 0.639 89 A CB 0.047 19.038 19.000 -0.014 0.000 0.839 89 A HN 0.688 nan 8.150 nan 0.000 0.449 90 D N -0.733 119.642 120.400 -0.041 0.000 2.473 90 D HA 0.330 4.970 4.640 -0.000 0.000 0.253 90 D C -1.367 174.900 176.300 -0.055 0.000 1.233 90 D CA -0.382 53.593 54.000 -0.042 0.000 0.908 90 D CB 1.238 42.015 40.800 -0.038 0.000 1.170 90 D HN 0.032 nan 8.370 nan 0.000 0.558 91 D N 2.011 122.381 120.400 -0.050 0.000 2.395 91 D HA 0.061 4.701 4.640 -0.000 0.000 0.226 91 D C 0.590 176.858 176.300 -0.054 0.000 1.146 91 D CA 0.275 54.241 54.000 -0.057 0.000 0.830 91 D CB 0.519 41.290 40.800 -0.048 0.000 0.958 91 D HN 0.241 nan 8.370 nan 0.000 0.501 92 Q N -0.629 119.141 119.800 -0.050 0.000 2.246 92 Q HA 0.268 4.607 4.340 -0.000 0.000 0.222 92 Q C -0.189 175.781 176.000 -0.050 0.000 0.851 92 Q CA 0.141 55.915 55.803 -0.047 0.000 0.945 92 Q CB 0.843 29.558 28.738 -0.038 0.000 1.122 92 Q HN 0.166 nan 8.270 nan 0.000 0.508 93 N N 0.047 118.715 118.700 -0.053 0.000 2.277 93 N HA 0.315 5.055 4.740 -0.000 0.000 0.286 93 N C -1.018 174.458 175.510 -0.056 0.000 1.140 93 N CA -0.249 52.771 53.050 -0.050 0.000 0.799 93 N CB 2.110 40.572 38.487 -0.041 0.000 1.596 93 N HN -0.177 nan 8.380 nan 0.000 0.473 94 S N 0.704 116.374 115.700 -0.050 0.000 2.617 94 S HA 0.313 4.783 4.470 -0.000 0.000 0.269 94 S C 0.180 174.756 174.600 -0.040 0.000 1.292 94 S CA -0.628 57.543 58.200 -0.049 0.000 1.010 94 S CB 0.910 64.086 63.200 -0.041 0.000 0.944 94 S HN 0.415 nan 8.310 nan 0.000 0.536 95 L N 3.517 124.717 121.223 -0.038 0.000 2.418 95 L HA 0.328 4.667 4.340 -0.000 0.000 0.274 95 L C 0.157 177.020 176.870 -0.011 0.000 1.135 95 L CA 0.532 55.358 54.840 -0.023 0.000 0.870 95 L CB -0.271 41.778 42.059 -0.016 0.000 1.154 95 L HN 0.706 nan 8.230 nan 0.000 0.462 96 R N 4.262 124.757 120.500 -0.008 0.000 2.808 96 R HA 0.830 5.170 4.340 -0.000 0.000 0.272 96 R C -0.982 175.318 176.300 -0.001 0.000 0.995 96 R CA -0.810 55.288 56.100 -0.004 0.000 0.917 96 R CB 1.131 31.426 30.300 -0.008 0.000 1.217 96 R HN 0.569 nan 8.270 nan 0.000 0.471 97 A N 1.362 124.183 122.820 0.001 0.000 2.922 97 A HA 0.554 4.874 4.320 -0.000 0.000 0.298 97 A C 0.613 178.198 177.584 0.001 0.000 1.588 97 A CA 0.354 52.393 52.037 0.003 0.000 1.288 97 A CB -1.070 17.933 19.000 0.005 0.000 1.130 97 A HN 1.190 nan 8.150 nan 0.000 0.557 98 G N 0.696 109.495 108.800 -0.001 0.000 2.692 98 G HA2 0.042 4.002 3.960 -0.000 0.000 0.686 98 G HA3 0.042 4.002 3.960 -0.000 0.000 0.686 98 G C 0.720 175.617 174.900 -0.005 0.000 1.243 98 G CA 0.159 45.257 45.100 -0.002 0.000 0.782 98 G HN 1.763 nan 8.290 nan 0.000 0.625 99 S N -0.176 115.520 115.700 -0.006 0.000 2.474 99 S HA -0.018 4.452 4.470 -0.000 0.000 0.235 99 S C 1.649 176.243 174.600 -0.009 0.000 0.997 99 S CA 1.550 59.745 58.200 -0.008 0.000 0.949 99 S CB 0.043 63.237 63.200 -0.009 0.000 0.766 99 S HN 0.746 nan 8.310 nan 0.000 0.517 100 R N 0.549 121.045 120.500 -0.007 0.000 2.543 100 R HA 0.306 4.646 4.340 -0.000 0.000 0.323 100 R C 0.985 177.281 176.300 -0.006 0.000 1.002 100 R CA 0.163 56.259 56.100 -0.007 0.000 1.106 100 R CB 0.781 31.078 30.300 -0.006 0.000 1.280 100 R HN 0.459 nan 8.270 nan 0.000 0.549 101 G N 1.946 110.743 108.800 -0.005 0.000 2.557 101 G HA2 0.327 4.286 3.960 -0.000 0.000 0.292 101 G HA3 0.327 4.286 3.960 -0.000 0.000 0.292 101 G C -2.347 172.550 174.900 -0.004 0.000 1.237 101 G CA -0.909 44.189 45.100 -0.004 0.000 0.978 101 G HN -0.098 nan 8.290 nan 0.000 0.498 102 P HA 0.235 nan 4.420 nan 0.000 0.277 102 P C -0.259 177.041 177.300 -0.001 0.000 1.240 102 P CA -0.168 62.931 63.100 -0.001 0.000 0.798 102 P CB 0.921 32.622 31.700 0.002 0.000 0.979 103 T N 2.618 117.171 114.554 -0.002 0.000 2.870 103 T HA 0.250 4.599 4.350 -0.000 0.000 0.300 103 T C 0.549 175.252 174.700 0.006 0.000 0.989 103 T CA -0.157 61.942 62.100 -0.002 0.000 1.139 103 T CB -0.106 68.758 68.868 -0.006 0.000 0.920 103 T HN 0.173 nan 8.240 nan 0.000 0.537 104 L N 3.559 124.788 121.223 0.010 0.000 2.395 104 L HA 0.285 4.625 4.340 -0.000 0.000 0.269 104 L C 1.546 178.432 176.870 0.028 0.000 1.133 104 L CA -0.784 54.067 54.840 0.019 0.000 0.812 104 L CB 0.382 42.455 42.059 0.024 0.000 1.125 104 L HN 0.494 nan 8.230 nan 0.000 0.452 105 L N 1.971 123.213 121.223 0.033 0.000 2.201 105 L HA -0.176 4.163 4.340 -0.000 0.000 0.212 105 L C 2.367 179.275 176.870 0.064 0.000 1.105 105 L CA 1.571 56.436 54.840 0.042 0.000 0.775 105 L CB -0.646 41.434 42.059 0.036 0.000 0.913 105 L HN 0.807 nan 8.230 nan 0.000 0.440 106 E N -1.549 118.693 120.200 0.070 0.000 2.478 106 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 106 E C 0.276 176.977 176.600 0.169 0.000 1.046 106 E CA 0.283 56.749 56.400 0.111 0.000 0.870 106 E CB -0.516 29.239 29.700 0.093 0.000 0.818 106 E HN 0.362 nan 8.360 nan 0.000 0.527 107 D N 1.259 121.719 120.400 0.100 0.000 2.441 107 D HA -0.066 4.574 4.640 -0.000 0.000 0.243 107 D C 0.515 176.851 176.300 0.059 0.000 1.257 107 D CA -0.335 53.691 54.000 0.044 0.000 1.027 107 D CB -0.176 40.613 40.800 -0.019 0.000 1.084 107 D HN 0.309 nan 8.370 nan 0.000 0.514 108 F N 2.152 122.109 119.950 0.012 0.000 2.293 108 F HA 0.011 4.538 4.527 -0.000 0.000 0.300 108 F C 1.665 177.475 175.800 0.018 0.000 1.086 108 F CA 0.271 58.281 58.000 0.017 0.000 1.375 108 F CB -0.626 38.383 39.000 0.015 0.000 1.045 108 F HN 0.188 nan 8.300 nan 0.000 0.516 109 I N 0.490 120.654 120.570 -0.677 0.000 2.163 109 I HA -0.220 3.949 4.170 -0.000 0.000 0.240 109 I C 2.522 178.526 176.117 -0.188 0.000 1.081 109 I CA 1.316 62.333 61.300 -0.472 0.000 1.353 109 I CB -0.588 37.079 38.000 -0.556 0.000 1.054 109 I HN 0.302 nan 8.210 nan 0.000 0.407 110 L N 1.130 122.263 121.223 -0.151 0.000 2.012 110 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 110 L C 2.637 179.495 176.870 -0.020 0.000 1.073 110 L CA 1.842 56.637 54.840 -0.076 0.000 0.748 110 L CB -0.536 41.486 42.059 -0.062 0.000 0.891 110 L HN 0.042 nan 8.230 nan 0.000 0.431 111 R N -0.623 119.887 120.500 0.016 0.000 2.092 111 R HA -0.152 4.187 4.340 -0.000 0.000 0.231 111 R C 2.301 178.654 176.300 0.089 0.000 1.119 111 R CA 1.415 57.552 56.100 0.061 0.000 0.970 111 R CB -0.331 30.019 30.300 0.084 0.000 0.864 111 R HN 0.594 nan 8.270 nan 0.000 0.440 112 E N 1.259 121.514 120.200 0.093 0.000 2.072 112 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 112 E C 1.886 178.561 176.600 0.126 0.000 0.985 112 E CA 1.053 57.526 56.400 0.122 0.000 0.801 112 E CB 0.135 29.908 29.700 0.121 0.000 0.750 112 E HN 0.138 nan 8.360 nan 0.000 0.452 113 K N 0.409 120.849 120.400 0.066 0.000 2.009 113 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 113 K C 2.108 178.771 176.600 0.106 0.000 1.049 113 K CA 1.581 57.903 56.287 0.057 0.000 0.929 113 K CB -0.074 32.417 32.500 -0.014 0.000 0.714 113 K HN 0.166 nan 8.250 nan 0.000 0.440 114 I N 1.277 121.892 120.570 0.075 0.000 2.439 114 I HA -0.170 4.000 4.170 -0.000 0.000 0.251 114 I C 2.152 178.379 176.117 0.183 0.000 1.139 114 I CA 1.255 62.619 61.300 0.106 0.000 1.438 114 I CB -1.441 36.585 38.000 0.043 0.000 1.085 114 I HN 0.252 nan 8.210 nan 0.000 0.427 115 T N -0.297 114.357 114.554 0.168 0.000 2.708 115 T HA -0.212 4.138 4.350 -0.000 0.000 0.266 115 T C 1.963 176.804 174.700 0.235 0.000 1.037 115 T CA 1.363 63.586 62.100 0.205 0.000 1.146 115 T CB -0.437 68.565 68.868 0.223 0.000 0.865 115 T HN 0.342 nan 8.240 nan 0.000 0.435 116 H N -0.098 119.071 119.070 0.165 0.000 2.352 116 H HA -0.099 4.456 4.556 -0.000 0.000 0.299 116 H C 2.212 177.600 175.328 0.101 0.000 1.097 116 H CA 1.768 57.896 56.048 0.133 0.000 1.311 116 H CB -0.426 29.393 29.762 0.094 0.000 1.377 116 H HN 0.388 nan 8.280 nan 0.000 0.504 117 F N 2.112 122.119 119.950 0.096 0.000 2.095 117 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 117 F C 2.023 177.767 175.800 -0.092 0.000 1.104 117 F CA 1.837 59.842 58.000 0.008 0.000 1.232 117 F CB -0.323 38.677 39.000 0.000 0.000 0.987 117 F HN 0.082 nan 8.300 nan 0.000 0.475 118 D N -1.199 119.114 120.400 -0.146 0.000 2.263 118 D HA -0.156 4.484 4.640 -0.000 0.000 0.208 118 D C 1.387 177.330 176.300 -0.595 0.000 0.971 118 D CA 1.240 54.983 54.000 -0.428 0.000 0.867 118 D CB -0.489 40.040 40.800 -0.452 0.000 0.929 118 D HN 0.504 nan 8.370 nan 0.000 0.492 119 H N -0.004 118.953 119.070 -0.188 0.000 2.505 119 H HA 0.213 4.769 4.556 -0.000 0.000 0.286 119 H C 1.244 176.416 175.328 -0.259 0.000 1.072 119 H CA -0.098 55.833 56.048 -0.194 0.000 1.141 119 H CB 0.480 30.142 29.762 -0.167 0.000 1.550 119 H HN 0.288 nan 8.280 nan 0.000 0.547 120 E N 0.799 120.846 120.200 -0.256 0.000 2.077 120 E HA -0.080 4.270 4.350 -0.000 0.000 0.193 120 E C 0.512 176.968 176.600 -0.240 0.000 0.989 120 E CA 0.704 56.923 56.400 -0.302 0.000 0.800 120 E CB 0.372 29.864 29.700 -0.345 0.000 0.746 120 E HN 0.170 nan 8.360 nan 0.000 0.452 121 R N 1.154 121.569 120.500 -0.142 0.000 2.441 121 R HA 0.319 4.659 4.340 -0.000 0.000 0.284 121 R C 0.414 176.750 176.300 0.060 0.000 1.070 121 R CA -0.116 55.971 56.100 -0.022 0.000 1.047 121 R CB 0.442 30.717 30.300 -0.041 0.000 1.016 121 R HN 0.204 nan 8.270 nan 0.000 0.477 122 I N -0.969 119.692 120.570 0.151 0.000 2.892 122 I HA 0.584 4.754 4.170 -0.000 0.000 0.306 122 I C -2.326 173.849 176.117 0.095 0.000 1.078 122 I CA -2.998 58.382 61.300 0.133 0.000 1.032 122 I CB 2.096 40.206 38.000 0.183 0.000 1.229 122 I HN 0.249 nan 8.210 nan 0.000 0.435 123 P HA 0.125 nan 4.420 nan 0.000 0.268 123 P C -0.857 176.467 177.300 0.039 0.000 1.204 123 P CA -0.015 63.107 63.100 0.037 0.000 0.768 123 P CB 0.438 32.149 31.700 0.019 0.000 0.842 124 E N 2.767 122.992 120.200 0.042 0.000 2.369 124 E HA 0.216 4.566 4.350 -0.000 0.000 0.255 124 E C -0.436 176.184 176.600 0.033 0.000 1.172 124 E CA -0.875 55.555 56.400 0.050 0.000 0.932 124 E CB 0.603 30.339 29.700 0.060 0.000 1.040 124 E HN 0.250 nan 8.360 nan 0.000 0.454 125 R N 0.501 121.027 120.500 0.043 0.000 2.623 125 R HA 0.041 4.380 4.340 -0.000 0.000 0.271 125 R C 1.096 177.419 176.300 0.040 0.000 1.043 125 R CA -0.065 56.056 56.100 0.035 0.000 1.083 125 R CB 0.248 30.590 30.300 0.070 0.000 0.974 125 R HN 0.639 nan 8.270 nan 0.000 0.436 126 I N 2.923 123.508 120.570 0.024 0.000 2.208 126 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 126 I C 0.377 176.533 176.117 0.065 0.000 1.097 126 I CA 1.413 62.736 61.300 0.038 0.000 1.363 126 I CB 0.391 38.412 38.000 0.034 0.000 1.051 126 I HN 0.403 nan 8.210 nan 0.000 0.413 127 V N -3.051 116.930 119.914 0.112 0.000 3.001 127 V HA 0.480 4.600 4.120 -0.000 0.000 0.314 127 V C 0.043 176.269 176.094 0.220 0.000 1.099 127 V CA -0.767 61.620 62.300 0.144 0.000 0.989 127 V CB 1.430 33.409 31.823 0.259 0.000 1.040 127 V HN 0.412 nan 8.190 nan 0.000 0.434 128 H N 0.579 119.713 119.070 0.106 0.000 2.903 128 H HA -0.206 4.349 4.556 -0.000 0.000 0.285 128 H C 1.502 176.879 175.328 0.082 0.000 1.231 128 H CA 0.829 56.936 56.048 0.098 0.000 1.135 128 H CB -1.237 28.577 29.762 0.087 0.000 1.328 128 H HN 1.178 nan 8.280 nan 0.000 0.388 129 A N 0.582 123.485 122.820 0.137 0.000 1.972 129 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 129 A C 1.740 179.413 177.584 0.148 0.000 1.169 129 A CA 1.192 53.302 52.037 0.123 0.000 0.635 129 A CB -0.034 19.016 19.000 0.084 0.000 0.810 129 A HN 0.199 nan 8.150 nan 0.000 0.446 130 R N 0.537 121.126 120.500 0.148 0.000 2.210 130 R HA 0.501 4.841 4.340 -0.000 0.000 0.338 130 R C -0.168 176.262 176.300 0.217 0.000 1.062 130 R CA 0.459 56.666 56.100 0.178 0.000 0.902 130 R CB -0.007 30.386 30.300 0.156 0.000 1.050 130 R HN 0.334 nan 8.270 nan 0.000 0.461 131 G N 0.842 109.792 108.800 0.251 0.000 2.718 131 G HA2 0.502 4.461 3.960 -0.000 0.000 0.295 131 G HA3 0.502 4.461 3.960 -0.000 0.000 0.295 131 G C -1.553 173.507 174.900 0.267 0.000 1.421 131 G CA -0.525 44.697 45.100 0.203 0.000 0.902 131 G HN 0.459 nan 8.290 nan 0.000 0.501 132 S N -0.708 115.111 115.700 0.198 0.000 2.532 132 S HA 0.852 5.322 4.470 -0.000 0.000 0.299 132 S C 0.051 174.670 174.600 0.030 0.000 1.105 132 S CA -0.244 58.117 58.200 0.269 0.000 1.018 132 S CB 1.650 65.125 63.200 0.458 0.000 1.021 132 S HN 1.334 nan 8.310 nan 0.000 0.483 133 A N 1.940 124.732 122.820 -0.047 0.000 2.387 133 A HA 1.051 5.371 4.320 -0.000 0.000 0.303 133 A C -0.691 176.709 177.584 -0.307 0.000 1.145 133 A CA -0.776 51.031 52.037 -0.382 0.000 0.801 133 A CB 1.529 20.150 19.000 -0.630 0.000 1.342 133 A HN 1.349 nan 8.150 nan 0.000 0.440 134 A N -0.006 122.444 122.820 -0.615 0.000 2.608 134 A HA 0.662 4.982 4.320 -0.000 0.000 0.292 134 A C -1.065 176.303 177.584 -0.360 0.000 1.066 134 A CA -0.697 51.146 52.037 -0.323 0.000 0.676 134 A CB 0.561 19.467 19.000 -0.156 0.000 1.277 134 A HN 0.886 nan 8.150 nan 0.000 0.413 135 H N -0.270 118.821 119.070 0.036 0.000 2.508 135 H HA 0.713 5.268 4.556 -0.000 0.000 0.358 135 H C 0.662 175.981 175.328 -0.015 0.000 1.212 135 H CA 0.669 56.785 56.048 0.114 0.000 1.356 135 H CB 1.783 31.619 29.762 0.125 0.000 1.525 135 H HN 1.186 nan 8.280 nan 0.000 0.578 136 G N 0.137 109.030 108.800 0.154 0.000 2.500 136 G HA2 0.348 4.308 3.960 -0.000 0.000 0.299 136 G HA3 0.348 4.308 3.960 -0.000 0.000 0.299 136 G C -2.067 172.951 174.900 0.197 0.000 1.242 136 G CA -0.677 44.468 45.100 0.075 0.000 0.859 136 G HN 0.637 nan 8.290 nan 0.000 0.481 137 Y N -1.742 118.597 120.300 0.065 0.000 2.588 137 Y HA 0.854 5.404 4.550 -0.000 0.000 0.343 137 Y C -1.546 174.491 175.900 0.229 0.000 1.065 137 Y CA -1.951 56.232 58.100 0.138 0.000 1.038 137 Y CB 1.937 40.452 38.460 0.091 0.000 1.297 137 Y HN 0.797 nan 8.280 nan 0.000 0.467 138 F N 2.428 122.543 119.950 0.275 0.000 2.577 138 F HA 0.706 5.233 4.527 -0.000 0.000 0.318 138 F C -1.383 174.617 175.800 0.334 0.000 1.065 138 F CA -0.594 57.575 58.000 0.281 0.000 0.929 138 F CB 2.317 41.604 39.000 0.477 0.000 1.237 138 F HN 0.812 nan 8.300 nan 0.000 0.468 139 Q N 5.405 124.569 119.800 -1.061 0.000 2.378 139 Q HA 0.445 4.785 4.340 -0.000 0.000 0.262 139 Q C -3.349 172.048 176.000 -1.004 0.000 0.978 139 Q CA -2.022 53.354 55.803 -0.712 0.000 0.918 139 Q CB 2.619 31.274 28.738 -0.139 0.000 1.415 139 Q HN 0.340 nan 8.270 nan 0.000 0.409 140 P HA 0.020 nan 4.420 nan 0.000 0.271 140 P C -0.418 176.755 177.300 -0.212 0.000 1.218 140 P CA 0.049 62.922 63.100 -0.378 0.000 0.780 140 P CB 0.532 32.162 31.700 -0.116 0.000 0.901 141 Y N 1.182 121.422 120.300 -0.101 0.000 2.337 141 Y HA -0.058 4.492 4.550 -0.000 0.000 0.293 141 Y C 1.444 177.316 175.900 -0.046 0.000 1.123 141 Y CA 0.447 58.510 58.100 -0.062 0.000 1.201 141 Y CB 0.229 38.662 38.460 -0.045 0.000 1.011 141 Y HN 0.376 nan 8.280 nan 0.000 0.545 142 K N -1.242 119.214 120.400 0.093 0.000 2.579 142 K HA 0.358 4.678 4.320 -0.000 0.000 0.284 142 K C -0.968 175.632 176.600 0.001 0.000 0.990 142 K CA -0.914 55.401 56.287 0.046 0.000 0.880 142 K CB 1.431 33.962 32.500 0.051 0.000 1.488 142 K HN -0.246 nan 8.250 nan 0.000 0.425 143 S N 0.817 116.516 115.700 -0.002 0.000 2.549 143 S HA 0.137 4.607 4.470 -0.000 0.000 0.286 143 S C 0.348 174.933 174.600 -0.024 0.000 1.314 143 S CA -0.500 57.689 58.200 -0.018 0.000 1.062 143 S CB -0.128 63.066 63.200 -0.010 0.000 0.865 143 S HN 0.552 nan 8.310 nan 0.000 0.498 144 L N 4.580 125.777 121.223 -0.044 0.000 2.965 144 L HA 0.164 4.504 4.340 -0.000 0.000 0.254 144 L C 1.995 178.846 176.870 -0.032 0.000 1.220 144 L CA 0.004 54.826 54.840 -0.030 0.000 1.023 144 L CB -0.007 42.036 42.059 -0.028 0.000 1.355 144 L HN 0.854 nan 8.230 nan 0.000 0.545 145 S N -1.613 114.067 115.700 -0.034 0.000 2.469 145 S HA -0.173 4.297 4.470 -0.000 0.000 0.238 145 S C 1.250 175.832 174.600 -0.031 0.000 0.998 145 S CA 1.125 59.303 58.200 -0.036 0.000 0.957 145 S CB -0.106 63.077 63.200 -0.028 0.000 0.764 145 S HN 0.385 nan 8.310 nan 0.000 0.514 146 D N 1.953 122.340 120.400 -0.022 0.000 2.224 146 D HA 0.044 4.684 4.640 -0.000 0.000 0.205 146 D C 1.790 178.073 176.300 -0.029 0.000 0.965 146 D CA 1.391 55.379 54.000 -0.021 0.000 0.852 146 D CB -0.150 40.643 40.800 -0.011 0.000 0.947 146 D HN 0.809 nan 8.370 nan 0.000 0.494 147 I N -3.821 116.732 120.570 -0.027 0.000 4.181 147 I HA 0.243 4.412 4.170 -0.000 0.000 0.331 147 I C 0.334 176.409 176.117 -0.070 0.000 1.312 147 I CA 0.015 61.290 61.300 -0.041 0.000 1.146 147 I CB 1.147 39.141 38.000 -0.009 0.000 1.074 147 I HN -0.249 nan 8.210 nan 0.000 0.402 148 T N 1.477 115.990 114.554 -0.067 0.000 2.942 148 T HA 0.298 4.647 4.350 -0.000 0.000 0.327 148 T C -0.213 174.432 174.700 -0.093 0.000 1.360 148 T CA -0.677 61.365 62.100 -0.098 0.000 1.055 148 T CB 1.788 70.590 68.868 -0.111 0.000 1.261 148 T HN 0.426 nan 8.240 nan 0.000 0.485 149 K N 2.205 122.547 120.400 -0.097 0.000 2.410 149 K HA 0.598 4.918 4.320 -0.000 0.000 0.200 149 K C 0.688 177.243 176.600 -0.074 0.000 1.023 149 K CA -0.355 55.886 56.287 -0.076 0.000 1.149 149 K CB 0.333 32.794 32.500 -0.067 0.000 0.859 149 K HN 0.506 nan 8.250 nan 0.000 0.514 150 A N 2.094 124.845 122.820 -0.116 0.000 2.522 150 A HA -0.048 4.272 4.320 -0.000 0.000 0.256 150 A C 0.517 178.048 177.584 -0.089 0.000 1.086 150 A CA 0.063 52.036 52.037 -0.106 0.000 0.763 150 A CB 0.063 18.920 19.000 -0.239 0.000 1.024 150 A HN 0.458 nan 8.150 nan 0.000 0.502 151 D N 2.100 122.528 120.400 0.045 0.000 2.178 151 D HA -0.212 4.428 4.640 -0.000 0.000 0.201 151 D C 1.338 177.712 176.300 0.125 0.000 0.980 151 D CA 2.161 56.208 54.000 0.077 0.000 0.842 151 D CB -0.240 40.629 40.800 0.115 0.000 0.948 151 D HN 0.741 nan 8.370 nan 0.000 0.472 152 F N -0.894 119.079 119.950 0.038 0.000 2.699 152 F HA 0.160 4.687 4.527 -0.000 0.000 0.298 152 F C 1.059 176.956 175.800 0.162 0.000 1.154 152 F CA 0.317 58.384 58.000 0.112 0.000 1.457 152 F CB -0.208 38.856 39.000 0.107 0.000 1.106 152 F HN -0.064 nan 8.300 nan 0.000 0.585 153 L N 0.637 121.553 121.223 -0.512 0.000 2.808 153 L HA 0.198 4.537 4.340 -0.000 0.000 0.246 153 L C 1.926 178.701 176.870 -0.158 0.000 1.153 153 L CA 0.368 54.989 54.840 -0.365 0.000 0.956 153 L CB -0.003 41.703 42.059 -0.587 0.000 1.270 153 L HN 0.295 nan 8.230 nan 0.000 0.528 154 S N -2.332 113.314 115.700 -0.090 0.000 2.528 154 S HA 0.038 4.508 4.470 -0.000 0.000 0.219 154 S C 0.392 174.986 174.600 -0.011 0.000 0.985 154 S CA -0.054 58.119 58.200 -0.044 0.000 0.914 154 S CB 0.124 63.310 63.200 -0.023 0.000 0.776 154 S HN 0.336 nan 8.310 nan 0.000 0.526 155 D N 0.740 121.144 120.400 0.006 0.000 2.891 155 D HA 0.334 4.974 4.640 -0.000 0.000 0.224 155 D C -2.479 173.832 176.300 0.019 0.000 1.321 155 D CA -1.912 52.098 54.000 0.017 0.000 0.929 155 D CB 2.181 42.999 40.800 0.029 0.000 1.551 155 D HN -0.168 nan 8.370 nan 0.000 0.574 156 P HA -0.067 nan 4.420 nan 0.000 0.221 156 P C 0.313 177.625 177.300 0.019 0.000 1.145 156 P CA 0.799 63.907 63.100 0.013 0.000 0.795 156 P CB 0.416 32.135 31.700 0.032 0.000 0.775 157 N N -0.553 118.163 118.700 0.027 0.000 2.238 157 N HA 0.074 4.814 4.740 -0.000 0.000 0.222 157 N C 0.164 175.698 175.510 0.040 0.000 1.133 157 N CA 0.054 53.122 53.050 0.030 0.000 0.854 157 N CB 0.672 39.173 38.487 0.024 0.000 1.041 157 N HN 0.227 nan 8.380 nan 0.000 0.510 158 K N 1.528 121.962 120.400 0.055 0.000 2.404 158 K HA 0.411 4.731 4.320 -0.000 0.000 0.257 158 K C -0.320 176.361 176.600 0.134 0.000 1.026 158 K CA -0.313 56.027 56.287 0.088 0.000 0.951 158 K CB 1.090 33.648 32.500 0.096 0.000 1.203 158 K HN -0.027 nan 8.250 nan 0.000 0.446 159 I N 2.493 123.142 120.570 0.132 0.000 2.519 159 I HA 0.135 4.305 4.170 -0.000 0.000 0.287 159 I C 0.115 176.395 176.117 0.271 0.000 1.047 159 I CA -0.163 61.252 61.300 0.192 0.000 1.381 159 I CB 1.650 39.717 38.000 0.112 0.000 1.417 159 I HN 0.455 nan 8.210 nan 0.000 0.540 160 T N 6.670 121.470 114.554 0.409 0.000 2.809 160 T HA 0.340 4.690 4.350 -0.000 0.000 0.284 160 T C -2.506 172.456 174.700 0.437 0.000 0.992 160 T CA -1.395 60.975 62.100 0.451 0.000 0.957 160 T CB 1.672 70.917 68.868 0.628 0.000 0.942 160 T HN 0.278 nan 8.240 nan 0.000 0.439 161 P HA 0.270 nan 4.420 nan 0.000 0.268 161 P C -0.607 176.938 177.300 0.408 0.000 1.204 161 P CA -0.389 62.900 63.100 0.314 0.000 0.768 161 P CB 0.516 32.314 31.700 0.164 0.000 0.842 162 V N 0.437 120.536 119.914 0.309 0.000 3.040 162 V HA 0.727 4.846 4.120 -0.000 0.000 0.312 162 V C -1.281 174.994 176.094 0.303 0.000 1.115 162 V CA -1.005 61.400 62.300 0.175 0.000 0.998 162 V CB 2.303 34.005 31.823 -0.201 0.000 1.042 162 V HN 0.306 nan 8.190 nan 0.000 0.433 163 F N 2.066 122.040 119.950 0.041 0.000 2.536 163 F HA 0.841 5.368 4.527 -0.000 0.000 0.322 163 F C -0.808 174.900 175.800 -0.153 0.000 1.144 163 F CA -0.739 57.217 58.000 -0.074 0.000 0.924 163 F CB 1.893 40.886 39.000 -0.010 0.000 1.181 163 F HN 0.523 nan 8.300 nan 0.000 0.438 164 V N 6.487 125.931 119.914 -0.783 0.000 2.628 164 V HA 0.604 4.724 4.120 -0.000 0.000 0.306 164 V C -0.647 174.798 176.094 -1.083 0.000 1.045 164 V CA -0.874 60.910 62.300 -0.860 0.000 0.905 164 V CB 2.043 33.326 31.823 -0.899 0.000 0.997 164 V HN 0.745 nan 8.190 nan 0.000 0.436 165 R N 2.767 122.623 120.500 -1.074 0.000 2.621 165 R HA 0.651 4.991 4.340 -0.000 0.000 0.292 165 R C -1.806 173.851 176.300 -1.073 0.000 0.969 165 R CA -0.475 55.088 56.100 -0.895 0.000 0.887 165 R CB 1.460 31.447 30.300 -0.522 0.000 1.180 165 R HN 0.562 nan 8.270 nan 0.000 0.450 166 F N 1.957 121.514 119.950 -0.657 0.000 2.450 166 F HA 0.509 5.036 4.527 -0.000 0.000 0.332 166 F C 0.392 175.852 175.800 -0.566 0.000 1.093 166 F CA -0.231 57.243 58.000 -0.878 0.000 1.003 166 F CB 2.219 40.118 39.000 -1.835 0.000 1.151 166 F HN 0.618 nan 8.300 nan 0.000 0.474 167 S N -0.585 115.052 115.700 -0.104 0.000 2.688 167 S HA 0.755 5.225 4.470 -0.000 0.000 0.275 167 S C -0.613 174.146 174.600 0.265 0.000 1.175 167 S CA -0.865 57.423 58.200 0.147 0.000 0.818 167 S CB 1.598 64.950 63.200 0.253 0.000 1.157 167 S HN 0.668 nan 8.310 nan 0.000 0.482 168 T N -1.937 112.760 114.554 0.240 0.000 2.910 168 T HA 0.706 5.056 4.350 -0.000 0.000 0.279 168 T C 0.787 175.460 174.700 -0.045 0.000 0.989 168 T CA -0.460 61.742 62.100 0.170 0.000 0.968 168 T CB 0.832 69.802 68.868 0.170 0.000 1.135 168 T HN 0.464 nan 8.240 nan 0.000 0.562 169 V N 1.016 120.858 119.914 -0.121 0.000 2.490 169 V HA 0.024 4.144 4.120 -0.000 0.000 0.238 169 V C 2.791 178.785 176.094 -0.167 0.000 1.056 169 V CA 1.383 63.464 62.300 -0.366 0.000 1.075 169 V CB -0.569 31.191 31.823 -0.106 0.000 0.746 169 V HN 0.998 nan 8.190 nan 0.000 0.479 170 Q N 2.137 121.893 119.800 -0.073 0.000 1.969 170 Q HA 0.104 4.444 4.340 -0.000 0.000 0.198 170 Q C 1.505 177.482 176.000 -0.039 0.000 0.978 170 Q CA 1.787 57.550 55.803 -0.067 0.000 0.830 170 Q CB -1.375 27.311 28.738 -0.087 0.000 0.896 170 Q HN 0.467 nan 8.270 nan 0.000 0.431 171 G N 0.336 109.127 108.800 -0.015 0.000 2.707 171 G HA2 0.291 4.251 3.960 -0.000 0.000 0.231 171 G HA3 0.291 4.251 3.960 -0.000 0.000 0.231 171 G C 0.371 175.278 174.900 0.011 0.000 1.246 171 G CA -0.098 45.001 45.100 -0.002 0.000 0.852 171 G HN 0.586 nan 8.290 nan 0.000 0.584 172 G N -0.761 108.042 108.800 0.005 0.000 2.651 172 G HA2 0.503 4.463 3.960 -0.000 0.000 0.260 172 G HA3 0.503 4.463 3.960 -0.000 0.000 0.260 172 G C 1.301 176.229 174.900 0.046 0.000 1.216 172 G CA 0.409 45.519 45.100 0.018 0.000 0.913 172 G HN 1.215 nan 8.290 nan 0.000 0.535 173 A N -0.774 122.082 122.820 0.060 0.000 2.121 173 A HA 0.197 4.517 4.320 -0.000 0.000 0.218 173 A C 2.086 179.705 177.584 0.059 0.000 1.154 173 A CA 1.734 53.824 52.037 0.089 0.000 0.679 173 A CB -0.192 18.878 19.000 0.116 0.000 0.795 173 A HN 1.110 nan 8.150 nan 0.000 0.458 174 G N 0.008 108.825 108.800 0.028 0.000 3.523 174 G HA2 0.360 4.319 3.960 -0.000 0.000 0.270 174 G HA3 0.360 4.319 3.960 -0.000 0.000 0.270 174 G C 0.599 175.502 174.900 0.004 0.000 1.134 174 G CA 0.605 45.708 45.100 0.004 0.000 0.825 174 G HN 0.587 nan 8.290 nan 0.000 0.534 175 S N -0.228 115.485 115.700 0.020 0.000 2.652 175 S HA 0.768 5.238 4.470 -0.000 0.000 0.267 175 S C 0.449 175.064 174.600 0.025 0.000 1.201 175 S CA -0.121 58.088 58.200 0.015 0.000 0.996 175 S CB 1.585 64.796 63.200 0.017 0.000 1.054 175 S HN 0.565 nan 8.310 nan 0.000 0.561 176 A N -0.079 122.753 122.820 0.020 0.000 2.279 176 A HA 0.494 4.814 4.320 -0.000 0.000 0.303 176 A C 0.500 178.110 177.584 0.043 0.000 1.108 176 A CA -0.642 51.405 52.037 0.016 0.000 0.830 176 A CB 0.071 19.063 19.000 -0.013 0.000 1.106 176 A HN 0.832 nan 8.150 nan 0.000 0.493 177 D N 0.404 120.820 120.400 0.027 0.000 2.137 177 D HA -0.059 4.581 4.640 -0.000 0.000 0.202 177 D C 1.583 177.874 176.300 -0.014 0.000 0.970 177 D CA 2.237 56.267 54.000 0.050 0.000 0.837 177 D CB -0.176 40.611 40.800 -0.021 0.000 0.981 177 D HN 0.669 nan 8.370 nan 0.000 0.475 178 T N -0.246 114.219 114.554 -0.149 0.000 3.332 178 T HA 0.287 4.637 4.350 -0.000 0.000 0.246 178 T C 0.855 175.558 174.700 0.005 0.000 0.943 178 T CA -0.551 61.459 62.100 -0.151 0.000 0.922 178 T CB -0.881 67.814 68.868 -0.288 0.000 1.086 178 T HN -0.078 nan 8.240 nan 0.000 0.590 179 V N -1.355 118.609 119.914 0.084 0.000 3.385 179 V HA 0.475 4.595 4.120 -0.000 0.000 0.301 179 V C 0.698 176.937 176.094 0.241 0.000 1.082 179 V CA -1.523 60.874 62.300 0.162 0.000 1.085 179 V CB 0.458 32.360 31.823 0.132 0.000 1.152 179 V HN 0.503 nan 8.190 nan 0.000 0.465 180 R N 1.311 121.991 120.500 0.300 0.000 2.267 180 R HA 0.635 4.975 4.340 -0.000 0.000 0.319 180 R C -0.328 176.052 176.300 0.133 0.000 1.067 180 R CA 0.620 56.844 56.100 0.208 0.000 0.936 180 R CB 0.291 30.637 30.300 0.077 0.000 1.006 180 R HN 1.289 nan 8.270 nan 0.000 0.452 181 A N 4.939 127.853 122.820 0.157 0.000 2.586 181 A HA 0.331 4.650 4.320 -0.000 0.000 0.291 181 A C -1.276 176.428 177.584 0.200 0.000 1.062 181 A CA -0.886 51.242 52.037 0.152 0.000 0.666 181 A CB 0.865 19.953 19.000 0.148 0.000 1.281 181 A HN 0.524 nan 8.150 nan 0.000 0.421 182 I N 0.994 121.703 120.570 0.231 0.000 2.779 182 I HA 0.317 4.486 4.170 -0.000 0.000 0.285 182 I C 0.258 176.531 176.117 0.260 0.000 1.134 182 I CA -0.103 61.342 61.300 0.241 0.000 1.398 182 I CB 0.494 38.659 38.000 0.275 0.000 1.404 182 I HN 0.523 nan 8.210 nan 0.000 0.587 183 R N 2.857 123.525 120.500 0.280 0.000 2.460 183 R HA 0.523 4.863 4.340 -0.000 0.000 0.303 183 R C -0.014 176.481 176.300 0.325 0.000 0.968 183 R CA -0.730 55.550 56.100 0.300 0.000 0.889 183 R CB 1.424 31.904 30.300 0.300 0.000 1.123 183 R HN 0.804 nan 8.270 nan 0.000 0.455 184 G N 1.069 110.082 108.800 0.354 0.000 2.448 184 G HA2 0.442 4.402 3.960 -0.000 0.000 0.285 184 G HA3 0.442 4.402 3.960 -0.000 0.000 0.285 184 G C -1.220 173.738 174.900 0.096 0.000 1.176 184 G CA -0.033 45.217 45.100 0.251 0.000 0.852 184 G HN 0.374 nan 8.290 nan 0.000 0.530 185 F N 1.734 121.561 119.950 -0.205 0.000 3.090 185 F HA 0.624 5.151 4.527 -0.000 0.000 0.381 185 F C -0.187 175.292 175.800 -0.536 0.000 1.231 185 F CA -1.787 55.993 58.000 -0.366 0.000 1.177 185 F CB 0.858 39.762 39.000 -0.159 0.000 1.598 185 F HN 0.669 nan 8.300 nan 0.000 0.589 186 A N 3.058 125.570 122.820 -0.512 0.000 2.304 186 A HA 0.810 5.130 4.320 -0.000 0.000 0.323 186 A C -0.540 176.540 177.584 -0.841 0.000 1.195 186 A CA -0.431 51.143 52.037 -0.771 0.000 0.826 186 A CB 0.884 19.108 19.000 -1.294 0.000 1.184 186 A HN 0.521 nan 8.150 nan 0.000 0.496 187 T N 2.164 116.371 114.554 -0.577 0.000 2.841 187 T HA 0.392 4.742 4.350 -0.000 0.000 0.285 187 T C -0.425 174.040 174.700 -0.392 0.000 0.991 187 T CA -0.458 61.331 62.100 -0.518 0.000 0.966 187 T CB 1.064 69.613 68.868 -0.531 0.000 0.962 187 T HN 0.618 nan 8.240 nan 0.000 0.438 188 K N 3.446 123.705 120.400 -0.235 0.000 2.281 188 K HA 0.442 4.762 4.320 -0.000 0.000 0.272 188 K C -1.258 175.017 176.600 -0.542 0.000 1.048 188 K CA -0.589 55.538 56.287 -0.266 0.000 0.898 188 K CB 0.288 32.681 32.500 -0.178 0.000 1.128 188 K HN 0.411 nan 8.250 nan 0.000 0.460 189 F N 4.433 124.106 119.950 -0.461 0.000 2.371 189 F HA 0.227 4.754 4.527 -0.000 0.000 0.363 189 F C -0.413 175.194 175.800 -0.320 0.000 1.122 189 F CA -0.557 57.232 58.000 -0.351 0.000 1.129 189 F CB 0.608 39.302 39.000 -0.510 0.000 1.173 189 F HN 0.444 nan 8.300 nan 0.000 0.489 190 Y N 1.876 122.242 120.300 0.109 0.000 2.636 190 Y HA 0.217 4.766 4.550 -0.000 0.000 0.341 190 Y C 1.054 177.022 175.900 0.114 0.000 1.169 190 Y CA -0.873 57.277 58.100 0.083 0.000 1.498 190 Y CB -0.205 38.292 38.460 0.061 0.000 1.362 190 Y HN 0.523 nan 8.280 nan 0.000 0.494 191 T N -2.191 112.472 114.554 0.182 0.000 2.874 191 T HA 0.172 4.522 4.350 -0.000 0.000 0.281 191 T C 0.934 175.736 174.700 0.170 0.000 0.994 191 T CA -0.764 61.448 62.100 0.187 0.000 1.015 191 T CB 1.084 70.043 68.868 0.151 0.000 1.028 191 T HN 0.660 nan 8.240 nan 0.000 0.523 192 E N 0.039 120.342 120.200 0.172 0.000 2.478 192 E HA -0.032 4.318 4.350 -0.000 0.000 0.198 192 E C 0.950 177.622 176.600 0.119 0.000 1.046 192 E CA 0.618 57.100 56.400 0.136 0.000 0.870 192 E CB 0.122 29.895 29.700 0.122 0.000 0.818 192 E HN 0.728 nan 8.360 nan 0.000 0.527 193 E N 0.081 120.355 120.200 0.124 0.000 2.693 193 E HA 0.250 4.600 4.350 -0.000 0.000 0.214 193 E C 0.149 176.808 176.600 0.098 0.000 0.990 193 E CA -0.206 56.260 56.400 0.110 0.000 1.047 193 E CB 1.438 31.205 29.700 0.111 0.000 1.039 193 E HN 0.180 nan 8.360 nan 0.000 0.475 194 G N 1.181 110.035 108.800 0.089 0.000 2.357 194 G HA2 -0.077 3.882 3.960 -0.000 0.000 0.643 194 G HA3 -0.077 3.882 3.960 -0.000 0.000 0.643 194 G C -0.959 173.961 174.900 0.032 0.000 1.358 194 G CA -1.103 44.029 45.100 0.053 0.000 0.986 194 G HN 0.001 nan 8.290 nan 0.000 0.620 195 I N 0.642 121.195 120.570 -0.029 0.000 2.588 195 I HA 0.388 4.558 4.170 -0.000 0.000 0.283 195 I C 0.043 176.171 176.117 0.019 0.000 1.119 195 I CA 0.017 61.272 61.300 -0.076 0.000 1.419 195 I CB 0.847 38.728 38.000 -0.197 0.000 1.394 195 I HN 0.462 nan 8.210 nan 0.000 0.562 196 F N 6.600 126.449 119.950 -0.168 0.000 2.449 196 F HA 0.453 4.980 4.527 -0.000 0.000 0.342 196 F C -0.676 175.088 175.800 -0.061 0.000 1.127 196 F CA -1.290 56.601 58.000 -0.182 0.000 0.975 196 F CB 0.819 39.539 39.000 -0.467 0.000 1.146 196 F HN 0.357 nan 8.300 nan 0.000 0.444 197 D N 7.104 127.300 120.400 -0.339 0.000 2.303 197 D HA 0.264 4.904 4.640 -0.000 0.000 0.236 197 D C -0.733 175.099 176.300 -0.780 0.000 1.068 197 D CA -0.085 53.657 54.000 -0.430 0.000 0.830 197 D CB 2.626 43.396 40.800 -0.050 0.000 1.109 197 D HN 0.625 nan 8.370 nan 0.000 0.496 198 L N 2.968 123.692 121.223 -0.832 0.000 2.283 198 L HA 0.283 4.623 4.340 -0.000 0.000 0.281 198 L C -1.022 175.623 176.870 -0.375 0.000 1.033 198 L CA -0.666 53.770 54.840 -0.674 0.000 0.848 198 L CB 0.733 42.402 42.059 -0.651 0.000 1.226 198 L HN 0.063 nan 8.230 nan 0.000 0.429 199 V N 5.050 124.797 119.914 -0.279 0.000 2.277 199 V HA 0.597 4.717 4.120 -0.000 0.000 0.269 199 V C 0.710 176.715 176.094 -0.147 0.000 1.036 199 V CA -0.323 61.826 62.300 -0.251 0.000 0.821 199 V CB 0.445 32.108 31.823 -0.267 0.000 1.052 199 V HN 0.818 nan 8.190 nan 0.000 0.462 200 G N 3.326 112.044 108.800 -0.137 0.000 3.140 200 G HA2 0.695 4.654 3.960 -0.000 0.000 0.271 200 G HA3 0.695 4.654 3.960 -0.000 0.000 0.271 200 G C -1.042 173.869 174.900 0.018 0.000 1.370 200 G CA -0.626 44.443 45.100 -0.052 0.000 1.014 200 G HN 0.469 nan 8.290 nan 0.000 0.541 201 N N -0.993 117.764 118.700 0.096 0.000 2.966 201 N HA 0.264 5.003 4.740 -0.000 0.000 0.314 201 N C 0.197 175.866 175.510 0.265 0.000 1.397 201 N CA -0.713 52.455 53.050 0.197 0.000 0.776 201 N CB 1.207 39.818 38.487 0.206 0.000 1.576 201 N HN 0.528 nan 8.380 nan 0.000 0.592 202 N N -1.271 117.603 118.700 0.290 0.000 2.268 202 N HA 0.015 4.755 4.740 -0.000 0.000 0.204 202 N C -0.645 175.101 175.510 0.394 0.000 1.124 202 N CA -0.129 53.137 53.050 0.360 0.000 0.838 202 N CB -0.185 38.502 38.487 0.332 0.000 0.994 202 N HN 0.519 nan 8.380 nan 0.000 0.489 203 T N -3.423 111.204 114.554 0.123 0.000 2.893 203 T HA 0.423 4.773 4.350 -0.000 0.000 0.293 203 T C -2.505 171.657 174.700 -0.897 0.000 1.027 203 T CA -1.633 60.135 62.100 -0.554 0.000 0.988 203 T CB 2.984 71.419 68.868 -0.721 0.000 1.043 203 T HN -0.276 nan 8.240 nan 0.000 0.461 204 P HA 0.100 nan 4.420 nan 0.000 0.234 204 P C 0.570 177.368 177.300 -0.836 0.000 1.167 204 P CA 0.355 62.575 63.100 -1.467 0.000 0.763 204 P CB -0.110 30.630 31.700 -1.600 0.000 0.835 205 I N -4.603 115.449 120.570 -0.864 0.000 3.002 205 I HA 0.533 4.703 4.170 -0.000 0.000 0.310 205 I C -0.943 174.932 176.117 -0.404 0.000 1.087 205 I CA -2.110 58.837 61.300 -0.588 0.000 1.017 205 I CB 1.307 38.922 38.000 -0.643 0.000 1.226 205 I HN -0.244 nan 8.210 nan 0.000 0.443 206 F N 1.052 120.762 119.950 -0.399 0.000 2.518 206 F HA 0.482 5.008 4.527 -0.000 0.000 0.338 206 F C 0.461 176.074 175.800 -0.312 0.000 1.065 206 F CA -0.759 57.062 58.000 -0.300 0.000 1.012 206 F CB 1.722 40.673 39.000 -0.081 0.000 1.297 206 F HN 0.389 nan 8.300 nan 0.000 0.489 207 F N 2.094 121.349 119.950 -1.158 0.000 2.325 207 F HA 0.034 4.561 4.527 -0.000 0.000 0.299 207 F C 0.636 176.156 175.800 -0.466 0.000 1.090 207 F CA 0.689 58.172 58.000 -0.861 0.000 1.392 207 F CB -0.256 37.848 39.000 -1.493 0.000 1.053 207 F HN 0.122 nan 8.300 nan 0.000 0.521 208 I N -3.397 117.157 120.570 -0.028 0.000 2.957 208 I HA 0.383 4.553 4.170 -0.000 0.000 0.310 208 I C 0.504 176.761 176.117 0.232 0.000 1.063 208 I CA -0.844 60.533 61.300 0.128 0.000 1.033 208 I CB 1.756 39.875 38.000 0.199 0.000 1.230 208 I HN -0.169 nan 8.210 nan 0.000 0.447 209 Q N 0.235 120.170 119.800 0.225 0.000 2.226 209 Q HA 0.132 4.472 4.340 -0.000 0.000 0.199 209 Q C -0.220 175.945 176.000 0.275 0.000 0.945 209 Q CA 0.678 56.651 55.803 0.284 0.000 0.861 209 Q CB 0.450 29.407 28.738 0.365 0.000 0.953 209 Q HN 0.651 nan 8.270 nan 0.000 0.490 210 D N -1.029 119.506 120.400 0.226 0.000 2.375 210 D HA 0.306 4.946 4.640 -0.000 0.000 0.247 210 D C 0.138 176.561 176.300 0.206 0.000 1.061 210 D CA -0.127 53.981 54.000 0.179 0.000 0.834 210 D CB 1.859 42.740 40.800 0.135 0.000 1.247 210 D HN 0.074 nan 8.370 nan 0.000 0.489 211 A N 3.566 126.479 122.820 0.154 0.000 1.948 211 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 211 A C 1.834 179.534 177.584 0.194 0.000 1.177 211 A CA 1.851 53.973 52.037 0.142 0.000 0.636 211 A CB -0.829 18.202 19.000 0.052 0.000 0.815 211 A HN 0.835 nan 8.150 nan 0.000 0.449 212 H N 0.032 119.156 119.070 0.089 0.000 2.426 212 H HA -0.073 4.482 4.556 -0.000 0.000 0.298 212 H C 1.546 176.947 175.328 0.123 0.000 1.107 212 H CA 2.021 58.117 56.048 0.079 0.000 1.298 212 H CB 0.044 29.830 29.762 0.040 0.000 1.377 212 H HN 0.438 nan 8.280 nan 0.000 0.519 213 K N -0.624 119.898 120.400 0.205 0.000 2.444 213 K HA -0.041 4.279 4.320 -0.000 0.000 0.193 213 K C 1.450 178.176 176.600 0.211 0.000 1.024 213 K CA -0.024 56.380 56.287 0.195 0.000 1.077 213 K CB 0.035 32.697 32.500 0.269 0.000 0.833 213 K HN 0.280 nan 8.250 nan 0.000 0.517 214 F N 3.079 123.075 119.950 0.076 0.000 2.025 214 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 214 F C -0.905 174.893 175.800 -0.004 0.000 1.132 214 F CA 1.814 59.875 58.000 0.101 0.000 1.191 214 F CB -0.666 38.383 39.000 0.081 0.000 0.963 214 F HN 0.036 nan 8.300 nan 0.000 0.481 215 P HA -0.164 nan 4.420 nan 0.000 0.216 215 P C 1.039 177.988 177.300 -0.585 0.000 1.150 215 P CA 1.975 64.812 63.100 -0.439 0.000 0.843 215 P CB -0.137 31.335 31.700 -0.380 0.000 0.787 216 D N -1.231 118.977 120.400 -0.321 0.000 2.084 216 D HA -0.174 4.466 4.640 -0.000 0.000 0.194 216 D C 1.845 177.844 176.300 -0.502 0.000 0.990 216 D CA 1.100 54.955 54.000 -0.242 0.000 0.826 216 D CB -0.954 39.868 40.800 0.036 0.000 0.971 216 D HN 0.152 nan 8.370 nan 0.000 0.453 217 F N 1.733 121.269 119.950 -0.690 0.000 2.102 217 F HA -0.219 4.308 4.527 -0.000 0.000 0.298 217 F C 2.270 177.661 175.800 -0.682 0.000 1.105 217 F CA 1.143 58.544 58.000 -0.999 0.000 1.239 217 F CB -0.169 38.429 39.000 -0.671 0.000 0.991 217 F HN -0.237 nan 8.300 nan 0.000 0.474 218 V N 0.134 119.614 119.914 -0.724 0.000 2.515 218 V HA -0.310 3.810 4.120 -0.000 0.000 0.250 218 V C 2.207 178.096 176.094 -0.342 0.000 1.058 218 V CA 2.260 64.190 62.300 -0.616 0.000 1.064 218 V CB -1.129 30.365 31.823 -0.549 0.000 0.675 218 V HN 0.486 nan 8.190 nan 0.000 0.461 219 H N 0.043 118.881 119.070 -0.387 0.000 2.353 219 H HA -0.109 4.446 4.556 -0.000 0.000 0.300 219 H C 2.378 177.558 175.328 -0.246 0.000 1.090 219 H CA 1.068 56.968 56.048 -0.247 0.000 1.327 219 H CB 0.041 29.703 29.762 -0.166 0.000 1.383 219 H HN 0.487 nan 8.280 nan 0.000 0.508 220 A N 0.487 123.140 122.820 -0.279 0.000 1.933 220 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 220 A C 2.502 179.945 177.584 -0.236 0.000 1.175 220 A CA 1.502 53.369 52.037 -0.284 0.000 0.628 220 A CB -0.729 17.968 19.000 -0.506 0.000 0.814 220 A HN 0.302 nan 8.150 nan 0.000 0.444 221 V N -0.433 119.219 119.914 -0.436 0.000 2.788 221 V HA 0.022 4.142 4.120 -0.000 0.000 0.251 221 V C 1.183 177.266 176.094 -0.019 0.000 1.068 221 V CA 0.887 63.035 62.300 -0.253 0.000 1.090 221 V CB -0.445 31.052 31.823 -0.542 0.000 0.710 221 V HN 0.464 nan 8.190 nan 0.000 0.467 222 K N 0.597 120.940 120.400 -0.094 0.000 2.156 222 K HA 0.189 4.508 4.320 -0.000 0.000 0.242 222 K C -2.292 174.258 176.600 -0.083 0.000 1.033 222 K CA -1.443 54.798 56.287 -0.077 0.000 0.878 222 K CB -0.153 32.291 32.500 -0.092 0.000 1.057 222 K HN 0.148 nan 8.250 nan 0.000 0.505 223 P HA -0.066 nan 4.420 nan 0.000 0.264 223 P C -1.025 176.216 177.300 -0.099 0.000 1.183 223 P CA 0.548 63.520 63.100 -0.214 0.000 0.763 223 P CB 0.353 31.944 31.700 -0.182 0.000 0.807 224 E N 5.549 125.740 120.200 -0.015 0.000 2.392 224 E HA -0.001 4.349 4.350 -0.000 0.000 0.264 224 E C -1.204 175.475 176.600 0.132 0.000 1.024 224 E CA -1.346 55.151 56.400 0.163 0.000 0.903 224 E CB 0.059 29.977 29.700 0.364 0.000 0.963 224 E HN 0.410 nan 8.360 nan 0.000 0.432 225 P HA -0.250 nan 4.420 nan 0.000 0.217 225 P C 1.033 178.398 177.300 0.108 0.000 1.148 225 P CA 1.581 64.723 63.100 0.070 0.000 0.828 225 P CB -0.042 31.675 31.700 0.028 0.000 0.783 226 H N -1.416 117.682 119.070 0.047 0.000 2.343 226 H HA -0.063 4.493 4.556 -0.000 0.000 0.303 226 H C 1.486 176.911 175.328 0.162 0.000 1.068 226 H CA 1.396 57.464 56.048 0.034 0.000 1.359 226 H CB -1.319 28.398 29.762 -0.075 0.000 1.402 226 H HN 0.299 nan 8.280 nan 0.000 0.515 227 W N 0.251 121.077 121.300 -0.790 0.000 3.008 227 W HA 0.703 5.363 4.660 -0.000 0.000 0.355 227 W C 0.427 176.771 176.519 -0.293 0.000 1.095 227 W CA -1.334 55.749 57.345 -0.437 0.000 1.738 227 W CB -0.852 28.344 29.460 -0.439 0.000 1.091 227 W HN 0.431 nan 8.180 nan 0.000 0.574 228 A N 1.272 124.074 122.820 -0.029 0.000 2.610 228 A HA -0.136 4.184 4.320 -0.000 0.000 0.299 228 A C -0.420 176.966 177.584 -0.330 0.000 1.487 228 A CA 1.481 53.432 52.037 -0.144 0.000 0.743 228 A CB -2.389 16.544 19.000 -0.110 0.000 1.070 228 A HN 0.494 nan 8.150 nan 0.000 0.439 229 I N 0.515 120.781 120.570 -0.507 0.000 2.722 229 I HA 0.534 4.704 4.170 -0.000 0.000 0.295 229 I C -2.549 173.304 176.117 -0.439 0.000 1.161 229 I CA -2.330 58.557 61.300 -0.688 0.000 1.032 229 I CB 3.093 40.202 38.000 -1.486 0.000 1.244 229 I HN 0.214 nan 8.210 nan 0.000 0.421 230 P HA 0.286 nan 4.420 nan 0.000 0.296 230 P C -1.518 175.627 177.300 -0.258 0.000 1.310 230 P CA -0.803 62.092 63.100 -0.342 0.000 0.900 230 P CB 1.644 33.218 31.700 -0.209 0.000 1.111 231 Q N 1.408 121.097 119.800 -0.185 0.000 2.304 231 Q HA 0.434 4.774 4.340 -0.000 0.000 0.260 231 Q C 1.176 177.136 176.000 -0.066 0.000 0.965 231 Q CA 1.213 56.943 55.803 -0.122 0.000 0.898 231 Q CB -0.528 28.150 28.738 -0.099 0.000 1.196 231 Q HN 0.823 nan 8.270 nan 0.000 0.402 232 G N 3.260 112.028 108.800 -0.052 0.000 2.283 232 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.280 232 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.280 232 G C -0.373 174.532 174.900 0.009 0.000 1.029 232 G CA 0.703 45.796 45.100 -0.013 0.000 0.840 232 G HN 0.563 nan 8.290 nan 0.000 0.505 233 Q N -1.382 118.412 119.800 -0.010 0.000 2.345 233 Q HA 0.573 4.913 4.340 -0.000 0.000 0.275 233 Q C 0.781 176.801 176.000 0.033 0.000 1.063 233 Q CA -0.153 55.670 55.803 0.033 0.000 0.819 233 Q CB 1.781 30.579 28.738 0.099 0.000 1.356 233 Q HN 0.472 nan 8.270 nan 0.000 0.418 234 S N -0.725 114.905 115.700 -0.117 0.000 2.556 234 S HA 0.214 4.684 4.470 -0.000 0.000 0.216 234 S C 0.871 175.438 174.600 -0.055 0.000 0.970 234 S CA 0.083 57.983 58.200 -0.501 0.000 0.912 234 S CB 0.441 62.834 63.200 -1.345 0.000 0.790 234 S HN 0.585 nan 8.310 nan 0.000 0.504 235 A N 2.268 125.227 122.820 0.231 0.000 3.051 235 A HA 0.506 4.826 4.320 -0.000 0.000 0.257 235 A C 0.114 177.922 177.584 0.373 0.000 1.785 235 A CA -0.519 51.728 52.037 0.350 0.000 1.420 235 A CB -1.354 17.793 19.000 0.245 0.000 1.063 235 A HN 0.911 nan 8.150 nan 0.000 0.630 236 H N -3.905 115.357 119.070 0.320 0.000 3.017 236 H HA 0.536 5.092 4.556 -0.000 0.000 0.346 236 H C -0.234 175.291 175.328 0.329 0.000 1.286 236 H CA -0.750 55.451 56.048 0.256 0.000 1.120 236 H CB 0.398 30.274 29.762 0.189 0.000 1.860 236 H HN 0.053 nan 8.280 nan 0.000 0.542 237 D N 0.299 120.859 120.400 0.267 0.000 2.116 237 D HA -0.213 4.427 4.640 -0.000 0.000 0.193 237 D C 2.129 178.484 176.300 0.091 0.000 0.998 237 D CA 3.148 57.247 54.000 0.165 0.000 0.836 237 D CB -0.405 40.469 40.800 0.122 0.000 0.951 237 D HN 0.795 nan 8.370 nan 0.000 0.449 238 T N -1.499 113.102 114.554 0.078 0.000 2.788 238 T HA -0.223 4.127 4.350 -0.000 0.000 0.268 238 T C 1.917 176.551 174.700 -0.111 0.000 1.044 238 T CA 0.794 62.906 62.100 0.020 0.000 1.139 238 T CB -0.768 68.166 68.868 0.111 0.000 0.867 238 T HN 0.144 nan 8.240 nan 0.000 0.454 239 F N 0.862 120.495 119.950 -0.528 0.000 2.075 239 F HA 0.062 4.588 4.527 -0.000 0.000 0.297 239 F C 1.904 177.431 175.800 -0.455 0.000 1.113 239 F CA 0.854 58.485 58.000 -0.614 0.000 1.218 239 F CB -0.613 37.858 39.000 -0.882 0.000 0.984 239 F HN 0.152 nan 8.300 nan 0.000 0.472 240 W N 0.522 121.789 121.300 -0.055 0.000 2.465 240 W HA -0.103 4.556 4.660 -0.000 0.000 0.268 240 W C 2.264 178.720 176.519 -0.105 0.000 1.242 240 W CA 1.072 58.370 57.345 -0.077 0.000 1.248 240 W CB -0.584 28.897 29.460 0.035 0.000 1.118 240 W HN 0.091 nan 8.180 nan 0.000 0.587 241 D N -0.867 119.572 120.400 0.066 0.000 2.097 241 D HA -0.271 4.369 4.640 -0.000 0.000 0.197 241 D C 1.891 178.186 176.300 -0.009 0.000 0.984 241 D CA 1.342 55.367 54.000 0.041 0.000 0.826 241 D CB -0.502 40.330 40.800 0.054 0.000 0.973 241 D HN 0.187 nan 8.370 nan 0.000 0.460 242 Y N 0.462 120.651 120.300 -0.185 0.000 2.145 242 Y HA -0.191 4.359 4.550 -0.000 0.000 0.286 242 Y C 2.233 177.990 175.900 -0.238 0.000 1.145 242 Y CA 1.554 59.529 58.100 -0.208 0.000 1.148 242 Y CB -0.410 37.890 38.460 -0.267 0.000 0.981 242 Y HN -0.114 nan 8.280 nan 0.000 0.507 243 V N 0.182 119.945 119.914 -0.253 0.000 2.332 243 V HA -0.338 3.781 4.120 -0.000 0.000 0.248 243 V C 2.589 178.609 176.094 -0.124 0.000 1.055 243 V CA 2.228 64.374 62.300 -0.258 0.000 1.038 243 V CB -1.197 30.345 31.823 -0.469 0.000 0.651 243 V HN 0.670 nan 8.190 nan 0.000 0.450 244 S N -0.369 115.306 115.700 -0.041 0.000 2.447 244 S HA -0.024 4.445 4.470 -0.000 0.000 0.233 244 S C 1.695 176.253 174.600 -0.071 0.000 1.006 244 S CA 1.192 59.395 58.200 0.005 0.000 0.957 244 S CB -0.396 62.846 63.200 0.070 0.000 0.773 244 S HN 0.553 nan 8.310 nan 0.000 0.507 245 L N 0.094 121.223 121.223 -0.157 0.000 2.585 245 L HA 0.324 4.664 4.340 -0.000 0.000 0.226 245 L C 0.436 177.127 176.870 -0.300 0.000 1.113 245 L CA 0.125 54.850 54.840 -0.191 0.000 0.876 245 L CB 0.050 42.007 42.059 -0.170 0.000 1.072 245 L HN 0.247 nan 8.230 nan 0.000 0.468 246 Q N 0.357 119.924 119.800 -0.388 0.000 2.891 246 Q HA 0.233 4.573 4.340 -0.000 0.000 0.242 246 Q C -2.029 173.734 176.000 -0.394 0.000 0.959 246 Q CA -1.384 54.150 55.803 -0.449 0.000 0.707 246 Q CB 1.591 29.959 28.738 -0.617 0.000 1.283 246 Q HN -0.028 nan 8.270 nan 0.000 0.480 247 P HA -0.202 nan 4.420 nan 0.000 0.228 247 P C 0.945 177.962 177.300 -0.472 0.000 1.151 247 P CA 0.994 63.853 63.100 -0.402 0.000 0.770 247 P CB 0.290 31.779 31.700 -0.353 0.000 0.786 248 E N 0.811 120.611 120.200 -0.667 0.000 2.204 248 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 248 E C 1.553 178.115 176.600 -0.064 0.000 0.990 248 E CA 1.848 58.112 56.400 -0.226 0.000 0.821 248 E CB -1.301 28.325 29.700 -0.123 0.000 0.750 248 E HN 0.265 nan 8.360 nan 0.000 0.477 249 T N -0.507 114.001 114.554 -0.078 0.000 3.035 249 T HA -0.016 4.334 4.350 -0.000 0.000 0.268 249 T C 1.962 176.714 174.700 0.086 0.000 1.109 249 T CA 0.557 62.671 62.100 0.022 0.000 1.119 249 T CB -0.363 68.543 68.868 0.063 0.000 0.900 249 T HN 0.148 nan 8.240 nan 0.000 0.503 250 L N 0.136 121.419 121.223 0.101 0.000 2.079 250 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 250 L C 2.862 179.894 176.870 0.269 0.000 1.081 250 L CA 1.977 56.947 54.840 0.217 0.000 0.752 250 L CB -0.786 41.419 42.059 0.243 0.000 0.896 250 L HN 0.485 nan 8.230 nan 0.000 0.433 251 H N -0.076 119.043 119.070 0.082 0.000 2.290 251 H HA -0.217 4.339 4.556 -0.000 0.000 0.298 251 H C 2.155 177.489 175.328 0.010 0.000 1.087 251 H CA 1.866 57.962 56.048 0.081 0.000 1.291 251 H CB 0.197 29.976 29.762 0.029 0.000 1.369 251 H HN 0.378 nan 8.280 nan 0.000 0.492 252 N N -0.155 118.382 118.700 -0.271 0.000 2.331 252 N HA -0.115 4.624 4.740 -0.000 0.000 0.180 252 N C 1.901 177.199 175.510 -0.353 0.000 1.019 252 N CA 0.605 53.277 53.050 -0.631 0.000 0.881 252 N CB 0.310 38.047 38.487 -1.250 0.000 0.972 252 N HN 0.123 nan 8.380 nan 0.000 0.435 253 V N 1.576 121.485 119.914 -0.009 0.000 2.407 253 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 253 V C 2.483 178.698 176.094 0.200 0.000 1.055 253 V CA 1.183 63.625 62.300 0.237 0.000 1.049 253 V CB -0.345 31.686 31.823 0.346 0.000 0.662 253 V HN 0.402 nan 8.190 nan 0.000 0.455 254 M N -1.513 118.245 119.600 0.263 0.000 2.080 254 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 254 M C 2.084 178.381 176.300 -0.005 0.000 1.068 254 M CA 1.929 57.392 55.300 0.272 0.000 1.109 254 M CB -1.233 31.565 32.600 0.331 0.000 1.342 254 M HN 0.471 nan 8.290 nan 0.000 0.405 255 W N 0.405 121.439 121.300 -0.443 0.000 2.358 255 W HA -0.064 4.596 4.660 -0.000 0.000 0.303 255 W C 2.769 179.216 176.519 -0.121 0.000 1.208 255 W CA 1.727 58.791 57.345 -0.469 0.000 1.274 255 W CB -1.011 28.117 29.460 -0.554 0.000 1.138 255 W HN 0.294 nan 8.180 nan 0.000 0.515 256 A N -0.601 122.294 122.820 0.125 0.000 1.933 256 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 256 A C 1.924 179.559 177.584 0.085 0.000 1.175 256 A CA 1.723 53.834 52.037 0.124 0.000 0.628 256 A CB -0.533 18.561 19.000 0.156 0.000 0.814 256 A HN 0.104 nan 8.150 nan 0.000 0.444 257 M N 0.472 120.089 119.600 0.028 0.000 2.514 257 M HA 0.051 4.531 4.480 -0.000 0.000 0.258 257 M C 1.346 177.703 176.300 0.095 0.000 1.119 257 M CA 0.670 55.940 55.300 -0.050 0.000 1.111 257 M CB -1.228 31.151 32.600 -0.368 0.000 1.390 257 M HN 0.534 nan 8.290 nan 0.000 0.475 258 S N -0.089 115.722 115.700 0.184 0.000 2.652 258 S HA 0.160 4.630 4.470 -0.000 0.000 0.267 258 S C 0.746 175.480 174.600 0.224 0.000 1.201 258 S CA -0.538 57.809 58.200 0.244 0.000 0.996 258 S CB 0.974 64.365 63.200 0.319 0.000 1.054 258 S HN 0.150 nan 8.310 nan 0.000 0.561 259 D N 0.159 120.706 120.400 0.246 0.000 2.378 259 D HA 0.011 4.651 4.640 -0.000 0.000 0.222 259 D C 1.815 178.261 176.300 0.244 0.000 0.980 259 D CA 0.396 54.559 54.000 0.272 0.000 0.907 259 D CB -0.155 40.866 40.800 0.369 0.000 0.899 259 D HN 0.389 nan 8.370 nan 0.000 0.527 260 R N 0.117 120.757 120.500 0.234 0.000 2.193 260 R HA -0.032 4.308 4.340 -0.000 0.000 0.229 260 R C 1.982 178.438 176.300 0.260 0.000 1.110 260 R CA 0.834 57.096 56.100 0.270 0.000 0.988 260 R CB -0.579 29.944 30.300 0.371 0.000 0.871 260 R HN 0.140 nan 8.270 nan 0.000 0.458 261 G N 1.406 110.345 108.800 0.231 0.000 2.848 261 G HA2 0.020 3.980 3.960 -0.000 0.000 0.208 261 G HA3 0.020 3.980 3.960 -0.000 0.000 0.208 261 G C 0.933 175.974 174.900 0.235 0.000 1.152 261 G CA 0.011 45.240 45.100 0.214 0.000 0.789 261 G HN 0.397 nan 8.290 nan 0.000 0.531 262 I N -2.459 118.261 120.570 0.250 0.000 2.854 262 I HA 0.355 4.525 4.170 -0.000 0.000 0.280 262 I C -2.968 173.305 176.117 0.260 0.000 1.482 262 I CA -2.568 58.888 61.300 0.261 0.000 0.884 262 I CB 2.021 40.174 38.000 0.254 0.000 1.600 262 I HN -0.265 nan 8.210 nan 0.000 0.585 263 P HA 0.117 nan 4.420 nan 0.000 0.272 263 P C 0.404 177.848 177.300 0.240 0.000 1.223 263 P CA -0.211 62.998 63.100 0.183 0.000 0.784 263 P CB 1.346 33.084 31.700 0.064 0.000 0.923 264 R N 1.545 122.165 120.500 0.201 0.000 2.153 264 R HA 0.061 4.401 4.340 -0.000 0.000 0.218 264 R C 0.534 176.979 176.300 0.242 0.000 1.072 264 R CA 1.261 57.523 56.100 0.271 0.000 0.990 264 R CB -0.353 30.079 30.300 0.220 0.000 0.889 264 R HN 0.585 nan 8.270 nan 0.000 0.452 265 S N -2.990 112.672 115.700 -0.064 0.000 2.611 265 S HA 0.194 4.663 4.470 -0.000 0.000 0.268 265 S C -0.389 173.898 174.600 -0.523 0.000 1.156 265 S CA -0.854 57.142 58.200 -0.342 0.000 0.817 265 S CB -0.092 63.028 63.200 -0.134 0.000 1.122 265 S HN 0.043 nan 8.310 nan 0.000 0.466 266 Y N 1.415 121.356 120.300 -0.599 0.000 2.439 266 Y HA 0.216 4.766 4.550 -0.000 0.000 0.292 266 Y C 2.451 177.956 175.900 -0.658 0.000 1.130 266 Y CA 0.809 58.384 58.100 -0.874 0.000 1.254 266 Y CB -0.319 37.248 38.460 -1.488 0.000 1.000 266 Y HN 0.541 nan 8.280 nan 0.000 0.554 267 R N -0.609 119.757 120.500 -0.223 0.000 2.148 267 R HA -0.044 4.296 4.340 -0.000 0.000 0.223 267 R C 1.092 177.366 176.300 -0.044 0.000 1.088 267 R CA 1.547 57.585 56.100 -0.104 0.000 0.985 267 R CB -0.307 29.924 30.300 -0.115 0.000 0.880 267 R HN 0.270 nan 8.270 nan 0.000 0.451 268 T N -1.082 113.445 114.554 -0.044 0.000 3.255 268 T HA 0.409 4.759 4.350 -0.000 0.000 0.243 268 T C 0.090 174.827 174.700 0.061 0.000 1.057 268 T CA -0.680 61.426 62.100 0.010 0.000 1.121 268 T CB -0.210 68.648 68.868 -0.015 0.000 1.104 268 T HN 0.049 nan 8.240 nan 0.000 0.571 269 M N -1.266 118.406 119.600 0.120 0.000 2.631 269 M HA 0.739 5.219 4.480 -0.000 0.000 0.288 269 M C -1.043 175.418 176.300 0.268 0.000 1.260 269 M CA -1.043 54.363 55.300 0.177 0.000 0.842 269 M CB 1.967 34.659 32.600 0.155 0.000 1.743 269 M HN -0.110 nan 8.290 nan 0.000 0.461 270 E N 0.161 120.510 120.200 0.248 0.000 2.292 270 E HA 0.753 5.103 4.350 -0.000 0.000 0.258 270 E C -0.388 176.255 176.600 0.071 0.000 1.115 270 E CA -0.877 55.595 56.400 0.120 0.000 0.929 270 E CB 1.772 31.461 29.700 -0.019 0.000 1.161 270 E HN 0.860 nan 8.360 nan 0.000 0.453 271 G N 0.376 109.017 108.800 -0.265 0.000 2.620 271 G HA2 0.631 4.591 3.960 -0.000 0.000 0.301 271 G HA3 0.631 4.591 3.960 -0.000 0.000 0.301 271 G C -1.614 172.897 174.900 -0.649 0.000 1.347 271 G CA -0.458 44.481 45.100 -0.269 0.000 0.971 271 G HN 0.259 nan 8.290 nan 0.000 0.488 272 F N -0.313 119.559 119.950 -0.131 0.000 2.628 272 F HA 0.492 5.019 4.527 -0.000 0.000 0.309 272 F C 0.974 176.681 175.800 -0.154 0.000 1.108 272 F CA -0.469 57.390 58.000 -0.234 0.000 0.971 272 F CB 2.538 41.349 39.000 -0.315 0.000 1.279 272 F HN 0.634 nan 8.300 nan 0.000 0.441 273 G N 1.345 110.216 108.800 0.119 0.000 2.920 273 G HA2 0.162 4.122 3.960 -0.000 0.000 0.208 273 G HA3 0.162 4.122 3.960 -0.000 0.000 0.208 273 G C 1.255 176.197 174.900 0.070 0.000 1.159 273 G CA 0.738 45.946 45.100 0.179 0.000 0.784 273 G HN 0.797 nan 8.290 nan 0.000 0.535 274 I N -0.807 119.726 120.570 -0.062 0.000 4.588 274 I HA -0.361 3.808 4.170 -0.000 0.000 0.053 274 I C 0.774 176.743 176.117 -0.248 0.000 0.617 274 I CA 1.744 62.885 61.300 -0.265 0.000 0.853 274 I CB -1.314 36.423 38.000 -0.438 0.000 0.779 274 I HN 0.293 nan 8.210 nan 0.000 0.163 275 H N 1.987 121.068 119.070 0.019 0.000 2.757 275 H HA 0.204 4.760 4.556 -0.000 0.000 0.370 275 H C 0.159 175.415 175.328 -0.120 0.000 1.172 275 H CA 0.537 56.503 56.048 -0.137 0.000 1.426 275 H CB 0.122 29.657 29.762 -0.378 0.000 1.438 275 H HN 0.203 nan 8.280 nan 0.000 0.612 276 T N 3.459 117.974 114.554 -0.066 0.000 2.737 276 T HA 0.240 4.589 4.350 -0.000 0.000 0.296 276 T C 0.277 174.909 174.700 -0.114 0.000 0.922 276 T CA -0.022 62.028 62.100 -0.083 0.000 1.079 276 T CB -0.271 68.499 68.868 -0.163 0.000 0.892 276 T HN 0.242 nan 8.240 nan 0.000 0.514 277 F N 1.474 121.366 119.950 -0.097 0.000 2.561 277 F HA 0.656 5.182 4.527 -0.000 0.000 0.384 277 F C 1.142 176.896 175.800 -0.078 0.000 1.131 277 F CA -1.310 56.669 58.000 -0.036 0.000 1.133 277 F CB 1.223 40.180 39.000 -0.071 0.000 1.506 277 F HN 0.177 nan 8.300 nan 0.000 0.499 278 R N 0.351 120.906 120.500 0.093 0.000 2.803 278 R HA 0.661 5.001 4.340 -0.000 0.000 0.276 278 R C -1.695 174.488 176.300 -0.194 0.000 0.978 278 R CA -0.919 55.105 56.100 -0.126 0.000 0.939 278 R CB 1.985 32.150 30.300 -0.225 0.000 1.179 278 R HN 0.422 nan 8.270 nan 0.000 0.472 279 L N 3.576 124.634 121.223 -0.275 0.000 2.313 279 L HA 0.521 4.861 4.340 -0.000 0.000 0.283 279 L C -0.719 175.992 176.870 -0.265 0.000 1.013 279 L CA -0.883 53.805 54.840 -0.254 0.000 0.816 279 L CB 1.565 43.478 42.059 -0.244 0.000 1.236 279 L HN 0.380 nan 8.230 nan 0.000 0.419 280 I N 3.282 123.716 120.570 -0.226 0.000 2.389 280 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 280 I C -0.112 175.911 176.117 -0.155 0.000 0.999 280 I CA -0.652 60.518 61.300 -0.217 0.000 1.129 280 I CB 1.354 39.230 38.000 -0.206 0.000 1.288 280 I HN 0.611 nan 8.210 nan 0.000 0.444 281 N N 5.031 123.655 118.700 -0.128 0.000 2.476 281 N HA 0.359 5.099 4.740 -0.000 0.000 0.287 281 N C 0.862 176.326 175.510 -0.075 0.000 1.262 281 N CA -0.382 52.612 53.050 -0.093 0.000 0.980 281 N CB 0.531 38.972 38.487 -0.076 0.000 1.163 281 N HN 0.515 nan 8.380 nan 0.000 0.592 282 A N -0.664 122.122 122.820 -0.058 0.000 2.019 282 A HA -0.112 4.207 4.320 -0.000 0.000 0.219 282 A C 1.654 179.215 177.584 -0.039 0.000 1.164 282 A CA 1.336 53.345 52.037 -0.047 0.000 0.644 282 A CB -0.797 18.182 19.000 -0.035 0.000 0.805 282 A HN 0.770 nan 8.150 nan 0.000 0.449 283 E N -1.676 118.503 120.200 -0.036 0.000 2.358 283 E HA 0.253 4.603 4.350 -0.000 0.000 0.195 283 E C 1.247 177.834 176.600 -0.022 0.000 1.010 283 E CA 0.898 57.282 56.400 -0.026 0.000 0.856 283 E CB 0.016 29.702 29.700 -0.023 0.000 0.795 283 E HN 0.747 nan 8.360 nan 0.000 0.504 284 G N 0.984 109.766 108.800 -0.030 0.000 2.148 284 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.203 284 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.203 284 G C 0.125 175.028 174.900 0.005 0.000 0.993 284 G CA 0.042 45.140 45.100 -0.004 0.000 0.661 284 G HN 0.206 nan 8.290 nan 0.000 0.518 285 K N 0.828 121.197 120.400 -0.050 0.000 2.322 285 K HA 0.680 5.000 4.320 -0.000 0.000 0.283 285 K C 0.543 177.014 176.600 -0.215 0.000 1.042 285 K CA 0.195 56.430 56.287 -0.088 0.000 0.958 285 K CB 0.683 33.136 32.500 -0.078 0.000 0.984 285 K HN 0.579 nan 8.250 nan 0.000 0.473 286 A N 3.440 126.038 122.820 -0.369 0.000 2.290 286 A HA 0.401 4.721 4.320 -0.000 0.000 0.310 286 A C -0.789 176.478 177.584 -0.528 0.000 1.202 286 A CA -0.503 51.148 52.037 -0.643 0.000 0.837 286 A CB 1.012 19.215 19.000 -1.329 0.000 1.139 286 A HN 0.731 nan 8.150 nan 0.000 0.509 287 T N 2.572 116.847 114.554 -0.466 0.000 2.824 287 T HA 0.507 4.857 4.350 -0.000 0.000 0.282 287 T C -0.622 173.847 174.700 -0.385 0.000 0.993 287 T CA -0.132 61.746 62.100 -0.370 0.000 0.967 287 T CB 0.407 69.151 68.868 -0.208 0.000 0.960 287 T HN 0.336 nan 8.240 nan 0.000 0.441 288 F N 2.352 122.207 119.950 -0.158 0.000 2.529 288 F HA 0.449 4.976 4.527 -0.000 0.000 0.365 288 F C 0.578 176.254 175.800 -0.206 0.000 1.102 288 F CA -0.371 57.530 58.000 -0.164 0.000 1.271 288 F CB 0.536 39.465 39.000 -0.118 0.000 1.120 288 F HN 0.191 nan 8.300 nan 0.000 0.579 289 V N 5.414 125.280 119.914 -0.079 0.000 2.760 289 V HA 0.610 4.730 4.120 -0.000 0.000 0.309 289 V C -0.877 174.984 176.094 -0.387 0.000 1.077 289 V CA -0.779 61.317 62.300 -0.339 0.000 0.910 289 V CB 2.038 33.429 31.823 -0.719 0.000 1.008 289 V HN 0.775 nan 8.190 nan 0.000 0.424 290 R N 4.658 124.980 120.500 -0.296 0.000 2.494 290 R HA 0.570 4.910 4.340 -0.000 0.000 0.305 290 R C -1.638 174.612 176.300 -0.083 0.000 0.959 290 R CA -0.469 55.517 56.100 -0.190 0.000 0.864 290 R CB 1.896 32.208 30.300 0.019 0.000 1.159 290 R HN 0.611 nan 8.270 nan 0.000 0.446 291 F N 2.602 122.613 119.950 0.103 0.000 2.404 291 F HA 0.362 4.889 4.527 -0.000 0.000 0.345 291 F C 0.887 176.674 175.800 -0.023 0.000 1.110 291 F CA -0.112 57.914 58.000 0.044 0.000 1.130 291 F CB 0.873 39.790 39.000 -0.138 0.000 1.129 291 F HN 0.232 nan 8.300 nan 0.000 0.500 292 H N 1.123 120.213 119.070 0.032 0.000 2.821 292 H HA 0.302 4.858 4.556 -0.000 0.000 0.373 292 H C -1.544 173.561 175.328 -0.372 0.000 1.165 292 H CA -0.984 54.983 56.048 -0.135 0.000 1.154 292 H CB 2.115 31.896 29.762 0.032 0.000 1.765 292 H HN 0.654 nan 8.280 nan 0.000 0.549 293 W N 1.932 123.135 121.300 -0.161 0.000 2.683 293 W HA 0.321 4.980 4.660 -0.000 0.000 0.329 293 W C -0.250 176.299 176.519 0.050 0.000 1.037 293 W CA -0.793 56.511 57.345 -0.068 0.000 1.232 293 W CB 1.807 31.101 29.460 -0.276 0.000 1.390 293 W HN 0.294 nan 8.180 nan 0.000 0.465 294 K N 5.303 125.970 120.400 0.445 0.000 2.240 294 K HA 0.406 4.726 4.320 -0.000 0.000 0.271 294 K C -2.401 174.431 176.600 0.387 0.000 1.018 294 K CA -1.883 54.609 56.287 0.341 0.000 0.874 294 K CB 1.416 34.070 32.500 0.256 0.000 1.098 294 K HN 0.029 nan 8.250 nan 0.000 0.458 295 P HA 0.044 nan 4.420 nan 0.000 0.275 295 P C 0.361 177.687 177.300 0.043 0.000 1.276 295 P CA -0.047 63.157 63.100 0.174 0.000 0.782 295 P CB 0.627 32.438 31.700 0.184 0.000 0.851 296 L N 2.531 123.720 121.223 -0.057 0.000 2.456 296 L HA -0.078 4.261 4.340 -0.000 0.000 0.224 296 L C 2.057 178.910 176.870 -0.030 0.000 1.148 296 L CA 1.013 55.844 54.840 -0.015 0.000 0.825 296 L CB -0.570 41.482 42.059 -0.011 0.000 0.937 296 L HN 0.334 nan 8.230 nan 0.000 0.450 297 A N -0.119 122.663 122.820 -0.064 0.000 2.251 297 A HA 0.441 4.761 4.320 -0.000 0.000 0.209 297 A C 1.253 178.836 177.584 -0.003 0.000 1.187 297 A CA 0.602 52.614 52.037 -0.042 0.000 0.823 297 A CB -0.224 18.733 19.000 -0.071 0.000 0.846 297 A HN 0.449 nan 8.150 nan 0.000 0.486 298 G N -0.531 108.284 108.800 0.025 0.000 2.757 298 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.638 298 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.638 298 G C -0.635 174.302 174.900 0.062 0.000 1.344 298 G CA -0.406 44.728 45.100 0.058 0.000 0.855 298 G HN 0.468 nan 8.290 nan 0.000 0.537 299 K N 0.053 120.499 120.400 0.077 0.000 2.159 299 K HA 0.762 5.082 4.320 -0.000 0.000 0.266 299 K C 0.175 176.799 176.600 0.039 0.000 0.975 299 K CA 0.162 56.486 56.287 0.061 0.000 0.865 299 K CB 1.857 34.389 32.500 0.054 0.000 1.087 299 K HN 1.605 nan 8.250 nan 0.000 0.446 300 A N 1.511 124.342 122.820 0.019 0.000 2.582 300 A HA 0.599 4.918 4.320 -0.000 0.000 0.297 300 A C -1.257 176.406 177.584 0.131 0.000 1.059 300 A CA -0.703 51.323 52.037 -0.018 0.000 0.705 300 A CB 1.594 20.327 19.000 -0.445 0.000 1.279 300 A HN 0.508 nan 8.150 nan 0.000 0.404 301 S N 0.244 116.197 115.700 0.423 0.000 2.651 301 S HA 0.766 5.235 4.470 -0.000 0.000 0.279 301 S C -0.266 174.641 174.600 0.511 0.000 1.148 301 S CA -0.671 57.773 58.200 0.405 0.000 0.837 301 S CB 1.205 64.615 63.200 0.350 0.000 1.138 301 S HN 0.689 nan 8.310 nan 0.000 0.478 302 L N 1.273 122.688 121.223 0.319 0.000 2.543 302 L HA 0.587 4.927 4.340 -0.000 0.000 0.231 302 L C 0.090 177.058 176.870 0.164 0.000 1.194 302 L CA -0.824 54.123 54.840 0.178 0.000 0.823 302 L CB 0.200 42.282 42.059 0.039 0.000 1.374 302 L HN 0.524 nan 8.230 nan 0.000 0.507 303 V N -2.973 116.934 119.914 -0.011 0.000 2.850 303 V HA 0.180 4.299 4.120 -0.000 0.000 0.315 303 V C 0.730 176.762 176.094 -0.102 0.000 1.064 303 V CA -0.761 61.504 62.300 -0.058 0.000 0.979 303 V CB 1.615 33.371 31.823 -0.111 0.000 1.039 303 V HN 0.941 nan 8.190 nan 0.000 0.452 304 W N 1.956 123.126 121.300 -0.216 0.000 2.317 304 W HA -0.252 4.408 4.660 -0.000 0.000 0.318 304 W C 1.817 178.184 176.519 -0.253 0.000 1.227 304 W CA 2.672 59.888 57.345 -0.215 0.000 1.269 304 W CB -0.163 29.166 29.460 -0.217 0.000 1.155 304 W HN 1.006 nan 8.180 nan 0.000 0.484 305 D N 0.119 120.176 120.400 -0.572 0.000 2.123 305 D HA -0.279 4.360 4.640 -0.000 0.000 0.196 305 D C 2.129 178.047 176.300 -0.637 0.000 0.992 305 D CA 2.199 55.847 54.000 -0.587 0.000 0.833 305 D CB -0.537 40.188 40.800 -0.124 0.000 0.954 305 D HN 0.345 nan 8.370 nan 0.000 0.455 306 E N -0.411 119.272 120.200 -0.862 0.000 2.038 306 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 306 E C 2.042 178.300 176.600 -0.570 0.000 1.000 306 E CA 1.250 57.117 56.400 -0.889 0.000 0.803 306 E CB -0.271 28.872 29.700 -0.929 0.000 0.750 306 E HN 0.327 nan 8.360 nan 0.000 0.448 307 A N 0.961 123.467 122.820 -0.522 0.000 1.883 307 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 307 A C 2.158 179.415 177.584 -0.546 0.000 1.186 307 A CA 1.951 53.732 52.037 -0.426 0.000 0.624 307 A CB -0.726 18.139 19.000 -0.224 0.000 0.822 307 A HN 0.445 nan 8.150 nan 0.000 0.444 308 Q N -0.704 118.544 119.800 -0.920 0.000 2.079 308 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 308 Q C 2.159 177.879 176.000 -0.467 0.000 0.974 308 Q CA 1.568 56.853 55.803 -0.862 0.000 0.840 308 Q CB -0.129 27.773 28.738 -1.395 0.000 0.898 308 Q HN 0.645 nan 8.270 nan 0.000 0.430 309 K N 0.112 120.255 120.400 -0.427 0.000 2.147 309 K HA -0.148 4.171 4.320 -0.000 0.000 0.205 309 K C 2.040 178.497 176.600 -0.238 0.000 1.049 309 K CA 0.672 56.801 56.287 -0.263 0.000 0.936 309 K CB -0.022 32.359 32.500 -0.197 0.000 0.722 309 K HN 0.167 nan 8.250 nan 0.000 0.446 310 L N 1.245 122.286 121.223 -0.304 0.000 2.141 310 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 310 L C 2.248 178.982 176.870 -0.227 0.000 1.094 310 L CA 1.988 56.642 54.840 -0.309 0.000 0.763 310 L CB -0.907 40.879 42.059 -0.456 0.000 0.908 310 L HN 0.279 nan 8.230 nan 0.000 0.437 311 T N -4.432 110.000 114.554 -0.204 0.000 2.929 311 T HA -0.057 4.293 4.350 -0.000 0.000 0.271 311 T C 1.807 176.448 174.700 -0.098 0.000 1.085 311 T CA 0.966 62.988 62.100 -0.130 0.000 1.125 311 T CB -0.828 67.976 68.868 -0.107 0.000 0.874 311 T HN 0.368 nan 8.240 nan 0.000 0.494 312 G N 1.241 109.976 108.800 -0.109 0.000 2.447 312 G HA2 0.017 3.977 3.960 -0.000 0.000 0.211 312 G HA3 0.017 3.977 3.960 -0.000 0.000 0.211 312 G C 1.878 176.736 174.900 -0.070 0.000 1.184 312 G CA -0.292 44.761 45.100 -0.079 0.000 0.813 312 G HN 0.288 nan 8.290 nan 0.000 0.540 313 R N 0.480 120.929 120.500 -0.085 0.000 2.096 313 R HA -0.001 4.338 4.340 -0.000 0.000 0.235 313 R C -0.105 176.170 176.300 -0.042 0.000 1.127 313 R CA 1.055 57.117 56.100 -0.063 0.000 0.968 313 R CB -0.361 29.893 30.300 -0.077 0.000 0.861 313 R HN 0.365 nan 8.270 nan 0.000 0.440 314 D N -0.801 119.568 120.400 -0.052 0.000 2.337 314 D HA 0.161 4.801 4.640 -0.000 0.000 0.238 314 D C -2.181 174.120 176.300 0.003 0.000 1.331 314 D CA -1.897 52.105 54.000 0.003 0.000 0.967 314 D CB 1.415 42.265 40.800 0.083 0.000 1.382 314 D HN -0.174 nan 8.370 nan 0.000 0.549 315 P HA 0.033 nan 4.420 nan 0.000 0.226 315 P C -0.012 177.295 177.300 0.013 0.000 1.153 315 P CA 0.735 63.827 63.100 -0.013 0.000 0.777 315 P CB 0.433 32.121 31.700 -0.019 0.000 0.794 316 D N -1.659 118.759 120.400 0.030 0.000 2.559 316 D HA 0.090 4.729 4.640 -0.000 0.000 0.234 316 D C 1.062 177.391 176.300 0.049 0.000 1.226 316 D CA -0.456 53.563 54.000 0.032 0.000 0.830 316 D CB -0.387 40.409 40.800 -0.006 0.000 1.028 316 D HN 0.099 nan 8.370 nan 0.000 0.492 317 F N 1.286 121.178 119.950 -0.096 0.000 2.126 317 F HA -0.216 4.311 4.527 -0.000 0.000 0.299 317 F C 2.054 177.813 175.800 -0.067 0.000 1.096 317 F CA 1.825 59.759 58.000 -0.110 0.000 1.255 317 F CB 0.076 38.958 39.000 -0.196 0.000 0.997 317 F HN 0.105 nan 8.300 nan 0.000 0.479 318 H N -1.359 117.607 119.070 -0.175 0.000 2.395 318 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 318 H C 2.385 177.578 175.328 -0.226 0.000 1.070 318 H CA 0.752 56.551 56.048 -0.415 0.000 1.356 318 H CB -0.024 29.318 29.762 -0.701 0.000 1.401 318 H HN 0.159 nan 8.280 nan 0.000 0.524 319 R N 1.081 121.643 120.500 0.103 0.000 2.070 319 R HA -0.130 4.210 4.340 -0.000 0.000 0.233 319 R C 2.460 178.851 176.300 0.151 0.000 1.137 319 R CA 1.362 57.583 56.100 0.202 0.000 0.945 319 R CB -0.014 30.393 30.300 0.179 0.000 0.845 319 R HN 0.179 nan 8.270 nan 0.000 0.430 320 R N 0.353 120.864 120.500 0.017 0.000 2.070 320 R HA -0.158 4.182 4.340 -0.000 0.000 0.233 320 R C 2.185 178.478 176.300 -0.012 0.000 1.137 320 R CA 1.739 57.834 56.100 -0.009 0.000 0.945 320 R CB -0.271 29.980 30.300 -0.081 0.000 0.845 320 R HN 0.264 nan 8.270 nan 0.000 0.430 321 E N 0.659 120.740 120.200 -0.198 0.000 2.085 321 E HA -0.218 4.131 4.350 -0.000 0.000 0.194 321 E C 2.024 178.596 176.600 -0.047 0.000 0.994 321 E CA 1.261 57.529 56.400 -0.221 0.000 0.801 321 E CB -0.118 29.287 29.700 -0.491 0.000 0.743 321 E HN 0.248 nan 8.360 nan 0.000 0.453 322 L N 0.709 121.946 121.223 0.023 0.000 1.994 322 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 322 L C 2.253 179.222 176.870 0.166 0.000 1.071 322 L CA 1.859 56.761 54.840 0.104 0.000 0.745 322 L CB -0.919 41.260 42.059 0.199 0.000 0.892 322 L HN 0.308 nan 8.230 nan 0.000 0.431 323 W N 0.971 122.303 121.300 0.053 0.000 2.338 323 W HA -0.211 4.449 4.660 -0.000 0.000 0.304 323 W C 2.223 178.768 176.519 0.043 0.000 1.212 323 W CA 2.205 59.592 57.345 0.069 0.000 1.264 323 W CB -0.128 29.378 29.460 0.078 0.000 1.142 323 W HN 0.384 nan 8.180 nan 0.000 0.512 324 E N -0.106 120.251 120.200 0.262 0.000 2.107 324 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 324 E C 2.377 179.005 176.600 0.047 0.000 0.982 324 E CA 1.073 57.554 56.400 0.135 0.000 0.809 324 E CB -0.405 29.332 29.700 0.061 0.000 0.756 324 E HN 0.163 nan 8.360 nan 0.000 0.459 325 A N 1.522 124.369 122.820 0.045 0.000 1.877 325 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 325 A C 2.191 179.807 177.584 0.054 0.000 1.186 325 A CA 1.165 53.224 52.037 0.037 0.000 0.620 325 A CB -0.634 18.387 19.000 0.034 0.000 0.822 325 A HN 0.132 nan 8.150 nan 0.000 0.443 326 I N -0.487 120.135 120.570 0.086 0.000 2.286 326 I HA -0.240 3.930 4.170 -0.000 0.000 0.248 326 I C 2.436 178.635 176.117 0.137 0.000 1.115 326 I CA 1.466 62.865 61.300 0.165 0.000 1.392 326 I CB -0.410 37.605 38.000 0.025 0.000 1.065 326 I HN 0.432 nan 8.210 nan 0.000 0.418 327 E N 0.790 121.014 120.200 0.040 0.000 2.204 327 E HA -0.142 4.207 4.350 -0.000 0.000 0.194 327 E C 2.105 178.727 176.600 0.035 0.000 0.989 327 E CA 1.076 57.507 56.400 0.052 0.000 0.824 327 E CB -0.058 29.697 29.700 0.092 0.000 0.756 327 E HN 0.489 nan 8.360 nan 0.000 0.477 328 A N 0.111 122.925 122.820 -0.010 0.000 2.208 328 A HA 0.221 4.541 4.320 -0.000 0.000 0.209 328 A C 1.765 179.279 177.584 -0.116 0.000 1.161 328 A CA 0.912 52.910 52.037 -0.065 0.000 0.782 328 A CB -0.157 18.767 19.000 -0.126 0.000 0.816 328 A HN 0.335 nan 8.150 nan 0.000 0.477 329 G N -0.478 108.182 108.800 -0.233 0.000 2.176 329 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.253 329 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.253 329 G C -0.163 174.185 174.900 -0.920 0.000 0.979 329 G CA 0.260 44.905 45.100 -0.758 0.000 0.641 329 G HN 0.450 nan 8.290 nan 0.000 0.530 330 D N 1.141 121.295 120.400 -0.410 0.000 2.845 330 D HA 0.326 4.966 4.640 -0.000 0.000 0.235 330 D C 0.678 176.907 176.300 -0.119 0.000 1.158 330 D CA -0.174 53.691 54.000 -0.224 0.000 0.990 330 D CB -0.759 40.022 40.800 -0.032 0.000 1.094 330 D HN 0.420 nan 8.370 nan 0.000 0.486 331 F N 1.423 121.368 119.950 -0.009 0.000 2.578 331 F HA 0.139 4.666 4.527 -0.000 0.000 0.381 331 F C -1.428 174.328 175.800 -0.073 0.000 1.069 331 F CA -2.094 55.889 58.000 -0.029 0.000 1.231 331 F CB 0.063 39.053 39.000 -0.016 0.000 1.086 331 F HN -0.078 nan 8.300 nan 0.000 0.564 332 P HA 0.047 nan 4.420 nan 0.000 0.267 332 P C -1.132 176.071 177.300 -0.161 0.000 1.209 332 P CA 0.220 63.275 63.100 -0.075 0.000 0.763 332 P CB 0.455 32.184 31.700 0.048 0.000 0.816 333 E N 2.604 122.566 120.200 -0.396 0.000 2.248 333 E HA 0.447 4.797 4.350 -0.000 0.000 0.267 333 E C -1.062 175.160 176.600 -0.629 0.000 0.877 333 E CA -0.596 55.611 56.400 -0.323 0.000 0.759 333 E CB 1.503 31.139 29.700 -0.106 0.000 1.182 333 E HN 0.370 nan 8.360 nan 0.000 0.418 334 Y N 0.395 120.766 120.300 0.118 0.000 2.477 334 Y HA 0.267 4.816 4.550 -0.000 0.000 0.347 334 Y C -0.173 175.956 175.900 0.383 0.000 0.981 334 Y CA -1.012 57.230 58.100 0.238 0.000 1.033 334 Y CB 2.009 40.560 38.460 0.153 0.000 1.245 334 Y HN 0.479 nan 8.280 nan 0.000 0.455 335 E N 2.974 123.503 120.200 0.548 0.000 2.113 335 E HA 0.377 4.727 4.350 -0.000 0.000 0.273 335 E C -1.476 175.398 176.600 0.458 0.000 0.924 335 E CA -0.999 55.673 56.400 0.452 0.000 0.764 335 E CB 1.009 30.918 29.700 0.347 0.000 1.104 335 E HN 0.628 nan 8.360 nan 0.000 0.406 336 L N 4.558 125.985 121.223 0.341 0.000 2.410 336 L HA 0.446 4.786 4.340 -0.000 0.000 0.273 336 L C -0.044 176.766 176.870 -0.100 0.000 1.152 336 L CA 0.755 55.506 54.840 -0.148 0.000 0.855 336 L CB 0.845 42.743 42.059 -0.268 0.000 1.129 336 L HN 0.592 nan 8.230 nan 0.000 0.463 337 G N 4.448 113.211 108.800 -0.062 0.000 2.605 337 G HA2 0.597 4.557 3.960 -0.000 0.000 0.296 337 G HA3 0.597 4.557 3.960 -0.000 0.000 0.296 337 G C -1.633 173.408 174.900 0.235 0.000 1.304 337 G CA -0.546 44.561 45.100 0.011 0.000 0.941 337 G HN 0.480 nan 8.290 nan 0.000 0.475 338 F N -0.175 119.781 119.950 0.011 0.000 2.547 338 F HA 0.384 4.911 4.527 -0.000 0.000 0.316 338 F C 0.094 175.873 175.800 -0.035 0.000 1.121 338 F CA -0.918 57.091 58.000 0.015 0.000 0.911 338 F CB 2.830 41.834 39.000 0.007 0.000 1.179 338 F HN 0.173 nan 8.300 nan 0.000 0.443 339 Q N 4.117 124.000 119.800 0.138 0.000 2.303 339 Q HA 0.518 4.858 4.340 -0.000 0.000 0.257 339 Q C -1.214 174.806 176.000 0.034 0.000 0.941 339 Q CA -0.507 55.330 55.803 0.055 0.000 0.931 339 Q CB 2.057 30.828 28.738 0.055 0.000 1.215 339 Q HN 0.509 nan 8.270 nan 0.000 0.437 340 L N 4.335 125.591 121.223 0.055 0.000 2.322 340 L HA 0.597 4.936 4.340 -0.000 0.000 0.281 340 L C -0.579 176.335 176.870 0.074 0.000 1.014 340 L CA -0.569 54.293 54.840 0.038 0.000 0.815 340 L CB 1.397 43.485 42.059 0.049 0.000 1.247 340 L HN 0.494 nan 8.230 nan 0.000 0.421 341 I N 3.900 124.531 120.570 0.102 0.000 2.439 341 I HA 0.345 4.515 4.170 -0.000 0.000 0.285 341 I C -2.374 173.854 176.117 0.185 0.000 1.021 341 I CA -2.055 59.352 61.300 0.178 0.000 1.091 341 I CB 2.074 40.203 38.000 0.215 0.000 1.242 341 I HN 0.256 nan 8.210 nan 0.000 0.439 342 P HA 0.031 nan 4.420 nan 0.000 0.267 342 P C 0.741 178.105 177.300 0.107 0.000 1.200 342 P CA 0.062 63.195 63.100 0.055 0.000 0.772 342 P CB 0.971 32.700 31.700 0.049 0.000 0.855 343 E N 2.211 122.385 120.200 -0.042 0.000 2.171 343 E HA -0.265 4.084 4.350 -0.000 0.000 0.197 343 E C 1.423 178.133 176.600 0.184 0.000 0.997 343 E CA 1.171 57.556 56.400 -0.025 0.000 0.810 343 E CB 0.094 29.692 29.700 -0.170 0.000 0.738 343 E HN 0.500 nan 8.360 nan 0.000 0.467 344 E N 0.227 120.501 120.200 0.123 0.000 2.478 344 E HA -0.160 4.189 4.350 -0.000 0.000 0.198 344 E C 0.342 177.027 176.600 0.142 0.000 1.046 344 E CA 0.755 57.234 56.400 0.131 0.000 0.870 344 E CB 0.062 29.808 29.700 0.078 0.000 0.818 344 E HN 0.249 nan 8.360 nan 0.000 0.527 345 D N 1.272 121.764 120.400 0.154 0.000 2.342 345 D HA 0.006 4.646 4.640 -0.000 0.000 0.221 345 D C 1.329 177.702 176.300 0.121 0.000 1.101 345 D CA -0.013 54.053 54.000 0.111 0.000 0.837 345 D CB 0.196 41.054 40.800 0.097 0.000 0.938 345 D HN 0.389 nan 8.370 nan 0.000 0.508 346 E N 0.061 120.340 120.200 0.132 0.000 2.086 346 E HA -0.226 4.124 4.350 -0.000 0.000 0.205 346 E C 0.492 176.876 176.600 -0.360 0.000 1.027 346 E CA 1.283 57.575 56.400 -0.180 0.000 0.830 346 E CB -0.022 29.528 29.700 -0.250 0.000 0.751 346 E HN 0.248 nan 8.360 nan 0.000 0.456 347 F N -0.268 119.679 119.950 -0.005 0.000 2.645 347 F HA 0.229 4.756 4.527 -0.000 0.000 0.300 347 F C 1.492 177.222 175.800 -0.117 0.000 1.115 347 F CA -0.016 57.957 58.000 -0.045 0.000 1.355 347 F CB 0.465 39.450 39.000 -0.025 0.000 1.026 347 F HN -0.140 nan 8.300 nan 0.000 0.536 348 K N -0.320 120.016 120.400 -0.106 0.000 2.426 348 K HA 0.108 4.428 4.320 -0.000 0.000 0.193 348 K C 0.038 176.234 176.600 -0.672 0.000 1.028 348 K CA 0.254 56.322 56.287 -0.365 0.000 1.047 348 K CB 0.212 32.459 32.500 -0.422 0.000 0.821 348 K HN 0.120 nan 8.250 nan 0.000 0.513 349 F N 0.799 120.571 119.950 -0.298 0.000 2.403 349 F HA 0.073 4.599 4.527 -0.000 0.000 0.326 349 F C 1.278 176.864 175.800 -0.358 0.000 1.099 349 F CA -0.985 56.742 58.000 -0.455 0.000 1.036 349 F CB 0.415 38.720 39.000 -1.158 0.000 1.336 349 F HN -0.015 nan 8.300 nan 0.000 0.497 350 D N -0.666 119.710 120.400 -0.041 0.000 2.427 350 D HA 0.116 4.756 4.640 -0.000 0.000 0.224 350 D C -0.758 175.640 176.300 0.163 0.000 1.157 350 D CA -0.023 54.019 54.000 0.070 0.000 0.828 350 D CB -0.906 39.961 40.800 0.112 0.000 0.974 350 D HN 0.233 nan 8.370 nan 0.000 0.498 351 F N -2.010 118.018 119.950 0.131 0.000 2.599 351 F HA 0.493 5.019 4.527 -0.000 0.000 0.311 351 F C -0.483 175.299 175.800 -0.031 0.000 1.076 351 F CA -1.644 56.363 58.000 0.012 0.000 0.937 351 F CB 0.999 39.987 39.000 -0.019 0.000 1.282 351 F HN -0.306 nan 8.300 nan 0.000 0.460 352 D N 2.480 122.885 120.400 0.009 0.000 2.351 352 D HA 0.142 4.782 4.640 -0.000 0.000 0.251 352 D C 1.020 177.238 176.300 -0.137 0.000 1.137 352 D CA 0.076 54.015 54.000 -0.101 0.000 0.879 352 D CB 1.410 42.186 40.800 -0.040 0.000 1.181 352 D HN 0.797 nan 8.370 nan 0.000 0.448 353 L N 3.548 124.630 121.223 -0.236 0.000 2.191 353 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 353 L C 1.997 178.716 176.870 -0.252 0.000 1.103 353 L CA 0.719 55.410 54.840 -0.248 0.000 0.769 353 L CB -0.053 41.734 42.059 -0.452 0.000 0.908 353 L HN 0.487 nan 8.230 nan 0.000 0.438 354 L N -0.929 120.151 121.223 -0.238 0.000 2.599 354 L HA 0.032 4.372 4.340 -0.000 0.000 0.230 354 L C 0.400 177.140 176.870 -0.217 0.000 1.141 354 L CA -0.110 54.652 54.840 -0.131 0.000 0.877 354 L CB -0.339 41.748 42.059 0.047 0.000 1.009 354 L HN 0.116 nan 8.230 nan 0.000 0.447 355 D N 1.280 121.316 120.400 -0.607 0.000 2.280 355 D HA 0.152 4.792 4.640 -0.000 0.000 0.243 355 D C -1.812 174.252 176.300 -0.394 0.000 1.129 355 D CA -2.292 51.138 54.000 -0.949 0.000 0.848 355 D CB 1.814 41.766 40.800 -1.413 0.000 1.107 355 D HN -0.129 nan 8.370 nan 0.000 0.471 356 P HA 0.034 nan 4.420 nan 0.000 0.249 356 P C 0.802 178.013 177.300 -0.148 0.000 1.229 356 P CA 0.496 63.530 63.100 -0.111 0.000 0.788 356 P CB 0.011 31.742 31.700 0.053 0.000 1.072 357 T N -4.519 109.937 114.554 -0.164 0.000 3.107 357 T HA 0.163 4.513 4.350 -0.000 0.000 0.249 357 T C 0.704 175.306 174.700 -0.163 0.000 1.096 357 T CA 0.004 62.023 62.100 -0.134 0.000 1.012 357 T CB -0.222 68.614 68.868 -0.052 0.000 0.977 357 T HN -0.159 nan 8.240 nan 0.000 0.527 358 K N 2.039 122.242 120.400 -0.329 0.000 2.221 358 K HA 0.625 4.945 4.320 -0.000 0.000 0.258 358 K C -0.353 176.036 176.600 -0.352 0.000 0.944 358 K CA -0.994 54.948 56.287 -0.574 0.000 0.823 358 K CB 2.126 34.155 32.500 -0.785 0.000 1.113 358 K HN 0.291 nan 8.250 nan 0.000 0.431 359 L N -0.643 120.500 121.223 -0.132 0.000 2.358 359 L HA 0.670 5.009 4.340 -0.000 0.000 0.268 359 L C -0.010 176.690 176.870 -0.284 0.000 1.032 359 L CA -0.579 54.159 54.840 -0.171 0.000 0.805 359 L CB 0.461 42.476 42.059 -0.073 0.000 1.253 359 L HN 0.436 nan 8.230 nan 0.000 0.452 360 I N 1.640 122.125 120.570 -0.142 0.000 2.307 360 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 360 I C -2.133 173.994 176.117 0.017 0.000 1.054 360 I CA -1.743 59.521 61.300 -0.061 0.000 1.218 360 I CB 0.799 38.768 38.000 -0.052 0.000 1.398 360 I HN 0.423 nan 8.210 nan 0.000 0.475 361 P HA 0.006 nan 4.420 nan 0.000 0.262 361 P C 0.441 177.801 177.300 0.100 0.000 1.182 361 P CA 0.211 63.353 63.100 0.070 0.000 0.761 361 P CB 0.695 32.427 31.700 0.053 0.000 0.795 362 E N 1.847 122.116 120.200 0.116 0.000 2.153 362 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 362 E C 1.327 177.980 176.600 0.089 0.000 0.988 362 E CA 0.883 57.342 56.400 0.099 0.000 0.811 362 E CB -0.006 29.761 29.700 0.111 0.000 0.746 362 E HN 0.532 nan 8.360 nan 0.000 0.466 363 E N 0.286 120.541 120.200 0.091 0.000 2.338 363 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 363 E C 1.943 178.606 176.600 0.106 0.000 1.007 363 E CA 0.639 57.090 56.400 0.085 0.000 0.849 363 E CB 0.169 29.914 29.700 0.074 0.000 0.774 363 E HN 0.368 nan 8.360 nan 0.000 0.506 364 L N -0.763 120.543 121.223 0.138 0.000 2.262 364 L HA 0.101 4.441 4.340 -0.000 0.000 0.197 364 L C 0.663 177.645 176.870 0.187 0.000 1.073 364 L CA 0.368 55.328 54.840 0.200 0.000 0.800 364 L CB 0.430 42.678 42.059 0.316 0.000 0.987 364 L HN -0.229 nan 8.230 nan 0.000 0.470 365 V N 1.971 121.969 119.914 0.141 0.000 2.380 365 V HA 0.332 4.451 4.120 -0.000 0.000 0.286 365 V C -2.393 173.741 176.094 0.067 0.000 1.015 365 V CA -1.503 60.863 62.300 0.110 0.000 0.834 365 V CB 1.473 33.348 31.823 0.087 0.000 1.009 365 V HN -0.005 nan 8.190 nan 0.000 0.428 366 P HA 0.203 nan 4.420 nan 0.000 0.275 366 P C -0.353 176.947 177.300 -0.000 0.000 1.228 366 P CA -0.079 63.041 63.100 0.035 0.000 0.786 366 P CB 1.248 32.975 31.700 0.045 0.000 0.927 367 V N 3.549 123.434 119.914 -0.048 0.000 2.455 367 V HA 0.086 4.206 4.120 -0.000 0.000 0.273 367 V C 0.909 177.000 176.094 -0.006 0.000 1.045 367 V CA 0.039 62.277 62.300 -0.103 0.000 0.976 367 V CB 0.100 31.789 31.823 -0.224 0.000 0.993 367 V HN 0.566 nan 8.190 nan 0.000 0.475 368 Q N 5.942 125.762 119.800 0.033 0.000 2.294 368 Q HA 0.297 4.637 4.340 -0.000 0.000 0.257 368 Q C -0.043 175.972 176.000 0.026 0.000 0.955 368 Q CA -0.673 55.157 55.803 0.046 0.000 0.936 368 Q CB 0.640 29.420 28.738 0.069 0.000 1.188 368 Q HN 0.644 nan 8.270 nan 0.000 0.420 369 R N 2.889 123.428 120.500 0.064 0.000 2.484 369 R HA 0.019 4.359 4.340 -0.000 0.000 0.293 369 R C 0.189 176.541 176.300 0.087 0.000 1.023 369 R CA -0.129 56.054 56.100 0.139 0.000 1.037 369 R CB 0.638 31.085 30.300 0.244 0.000 0.951 369 R HN 0.551 nan 8.270 nan 0.000 0.418 370 V N 1.645 121.495 119.914 -0.107 0.000 3.013 370 V HA 0.264 4.384 4.120 -0.000 0.000 0.238 370 V C 0.866 176.664 176.094 -0.492 0.000 1.161 370 V CA 1.168 63.270 62.300 -0.330 0.000 1.170 370 V CB 0.957 32.327 31.823 -0.756 0.000 0.917 370 V HN 1.002 nan 8.190 nan 0.000 0.478 371 G N -0.378 108.036 108.800 -0.643 0.000 2.550 371 G HA2 0.535 4.495 3.960 -0.000 0.000 0.293 371 G HA3 0.535 4.495 3.960 -0.000 0.000 0.293 371 G C -1.829 172.729 174.900 -0.570 0.000 1.402 371 G CA -0.533 43.995 45.100 -0.954 0.000 0.784 371 G HN 0.064 nan 8.290 nan 0.000 0.482 372 K N -0.509 119.599 120.400 -0.487 0.000 2.324 372 K HA 0.743 5.062 4.320 -0.000 0.000 0.253 372 K C -0.923 175.741 176.600 0.108 0.000 0.932 372 K CA -0.800 55.485 56.287 -0.003 0.000 0.799 372 K CB 2.039 34.594 32.500 0.092 0.000 1.154 372 K HN 0.581 nan 8.250 nan 0.000 0.425 373 M N 4.682 124.457 119.600 0.291 0.000 2.253 373 M HA 0.413 4.892 4.480 -0.000 0.000 0.314 373 M C -1.850 174.444 176.300 -0.011 0.000 1.019 373 M CA -0.675 54.752 55.300 0.211 0.000 0.932 373 M CB 1.725 34.505 32.600 0.299 0.000 1.606 373 M HN 0.341 nan 8.290 nan 0.000 0.430 374 V N 5.589 125.335 119.914 -0.279 0.000 2.540 374 V HA 0.511 4.631 4.120 -0.000 0.000 0.302 374 V C -1.018 174.913 176.094 -0.272 0.000 1.035 374 V CA -0.812 61.306 62.300 -0.305 0.000 0.873 374 V CB 1.779 33.276 31.823 -0.545 0.000 0.992 374 V HN 0.677 nan 8.190 nan 0.000 0.428 375 L N 5.633 126.787 121.223 -0.116 0.000 2.277 375 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 375 L C 0.625 177.376 176.870 -0.197 0.000 1.028 375 L CA 0.006 54.785 54.840 -0.102 0.000 0.835 375 L CB 1.002 43.056 42.059 -0.007 0.000 1.215 375 L HN 0.868 nan 8.230 nan 0.000 0.425 376 N N 2.369 120.861 118.700 -0.348 0.000 2.235 376 N HA 0.172 4.912 4.740 -0.000 0.000 0.231 376 N C 0.026 175.300 175.510 -0.392 0.000 1.177 376 N CA -0.262 52.310 53.050 -0.797 0.000 0.874 376 N CB 0.758 38.573 38.487 -1.120 0.000 1.097 376 N HN 0.431 nan 8.380 nan 0.000 0.518 377 R N 0.109 120.507 120.500 -0.170 0.000 2.563 377 R HA 0.252 4.592 4.340 -0.000 0.000 0.262 377 R C -1.370 174.874 176.300 -0.093 0.000 1.128 377 R CA -0.548 55.482 56.100 -0.117 0.000 0.969 377 R CB 1.126 31.370 30.300 -0.093 0.000 1.251 377 R HN 0.046 nan 8.270 nan 0.000 0.442 378 N N 3.292 121.816 118.700 -0.294 0.000 2.424 378 N HA 0.303 5.043 4.740 -0.000 0.000 0.257 378 N C -2.265 173.174 175.510 -0.118 0.000 1.250 378 N CA -1.173 51.571 53.050 -0.510 0.000 0.946 378 N CB 0.522 38.053 38.487 -1.593 0.000 1.175 378 N HN 0.347 nan 8.380 nan 0.000 0.477 379 P HA 0.171 nan 4.420 nan 0.000 0.275 379 P C 0.008 177.486 177.300 0.297 0.000 1.266 379 P CA -0.142 63.140 63.100 0.304 0.000 0.793 379 P CB 1.155 33.070 31.700 0.358 0.000 1.074 380 D N -1.234 119.317 120.400 0.253 0.000 2.269 380 D HA -0.015 4.625 4.640 -0.000 0.000 0.220 380 D C 0.430 176.903 176.300 0.289 0.000 0.962 380 D CA 1.312 55.458 54.000 0.242 0.000 0.884 380 D CB 0.128 41.011 40.800 0.138 0.000 1.023 380 D HN 0.373 nan 8.370 nan 0.000 0.484 381 N N -0.029 118.826 118.700 0.257 0.000 2.448 381 N HA 0.012 4.752 4.740 -0.000 0.000 0.279 381 N C 0.183 175.882 175.510 0.315 0.000 1.025 381 N CA -0.337 52.877 53.050 0.274 0.000 0.898 381 N CB 1.562 40.177 38.487 0.212 0.000 1.303 381 N HN -0.155 nan 8.380 nan 0.000 0.495 382 F N 4.539 124.632 119.950 0.238 0.000 2.043 382 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 382 F C 1.743 177.654 175.800 0.187 0.000 1.121 382 F CA 1.741 59.878 58.000 0.228 0.000 1.199 382 F CB -0.253 38.857 39.000 0.184 0.000 0.968 382 F HN 0.613 nan 8.300 nan 0.000 0.478 383 F N 0.847 121.028 119.950 0.386 0.000 2.027 383 F HA -0.284 4.242 4.527 -0.000 0.000 0.297 383 F C 2.401 178.246 175.800 0.074 0.000 1.129 383 F CA 2.279 60.417 58.000 0.230 0.000 1.195 383 F CB -1.090 38.026 39.000 0.193 0.000 0.960 383 F HN 0.037 nan 8.300 nan 0.000 0.485 384 A N -0.503 122.450 122.820 0.223 0.000 1.908 384 A HA -0.218 4.101 4.320 -0.000 0.000 0.218 384 A C 2.068 179.581 177.584 -0.118 0.000 1.181 384 A CA 2.186 54.269 52.037 0.076 0.000 0.627 384 A CB -0.773 18.316 19.000 0.148 0.000 0.818 384 A HN 0.649 nan 8.150 nan 0.000 0.445 385 E N -1.506 118.629 120.200 -0.108 0.000 2.132 385 E HA -0.063 4.286 4.350 -0.000 0.000 0.193 385 E C 2.004 178.490 176.600 -0.190 0.000 0.951 385 E CA 0.500 56.778 56.400 -0.203 0.000 0.843 385 E CB -0.149 29.480 29.700 -0.120 0.000 0.807 385 E HN 0.583 nan 8.360 nan 0.000 0.467 386 N N 1.362 119.927 118.700 -0.225 0.000 2.182 386 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 386 N C 1.821 177.136 175.510 -0.325 0.000 1.036 386 N CA 1.311 54.185 53.050 -0.293 0.000 0.850 386 N CB 0.081 38.055 38.487 -0.855 0.000 1.010 386 N HN -0.062 nan 8.380 nan 0.000 0.432 387 E N 0.798 120.726 120.200 -0.454 0.000 2.085 387 E HA -0.121 4.229 4.350 -0.000 0.000 0.194 387 E C 1.664 178.044 176.600 -0.366 0.000 0.994 387 E CA 1.532 57.728 56.400 -0.340 0.000 0.801 387 E CB -0.136 29.349 29.700 -0.358 0.000 0.743 387 E HN 0.508 nan 8.360 nan 0.000 0.453 388 Q N -0.240 119.295 119.800 -0.441 0.000 2.444 388 Q HA 0.242 4.582 4.340 -0.000 0.000 0.206 388 Q C 0.065 175.938 176.000 -0.213 0.000 0.948 388 Q CA 0.178 55.795 55.803 -0.309 0.000 0.946 388 Q CB 0.406 28.962 28.738 -0.303 0.000 1.027 388 Q HN 0.222 nan 8.270 nan 0.000 0.513 389 A N 1.314 124.017 122.820 -0.195 0.000 2.565 389 A HA 0.357 4.676 4.320 -0.000 0.000 0.237 389 A C -0.009 177.406 177.584 -0.281 0.000 1.053 389 A CA 0.406 52.298 52.037 -0.241 0.000 0.755 389 A CB 0.132 19.080 19.000 -0.086 0.000 0.980 389 A HN 0.300 nan 8.150 nan 0.000 0.506 390 A N 2.774 125.374 122.820 -0.366 0.000 2.310 390 A HA 0.685 5.004 4.320 -0.000 0.000 0.304 390 A C -0.631 176.770 177.584 -0.305 0.000 1.231 390 A CA -0.461 51.429 52.037 -0.245 0.000 0.799 390 A CB 0.210 19.106 19.000 -0.174 0.000 1.162 390 A HN 0.631 nan 8.150 nan 0.000 0.486 391 F N 1.351 121.301 119.950 0.000 0.000 2.399 391 F HA 0.635 5.162 4.527 -0.000 0.000 0.328 391 F C 0.534 176.304 175.800 -0.051 0.000 1.084 391 F CA -0.036 57.950 58.000 -0.024 0.000 1.053 391 F CB 1.511 40.445 39.000 -0.110 0.000 1.209 391 F HN 0.667 nan 8.300 nan 0.000 0.502 392 H N 2.998 121.940 119.070 -0.214 0.000 3.042 392 H HA 0.288 4.844 4.556 -0.000 0.000 0.345 392 H C -2.419 172.571 175.328 -0.564 0.000 1.052 392 H CA -2.705 52.957 56.048 -0.643 0.000 1.311 392 H CB 2.558 31.724 29.762 -0.994 0.000 1.810 392 H HN 0.158 nan 8.280 nan 0.000 0.505 393 P HA 0.020 nan 4.420 nan 0.000 0.230 393 P C 1.092 178.298 177.300 -0.157 0.000 1.158 393 P CA 1.138 64.078 63.100 -0.268 0.000 0.769 393 P CB 0.178 31.767 31.700 -0.186 0.000 0.807 394 G N -1.276 107.079 108.800 -0.740 0.000 2.712 394 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.212 394 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.212 394 G C 0.331 175.116 174.900 -0.192 0.000 1.142 394 G CA -0.056 44.731 45.100 -0.521 0.000 0.789 394 G HN 0.402 nan 8.290 nan 0.000 0.535 395 H N 0.907 119.846 119.070 -0.217 0.000 3.224 395 H HA 0.342 4.898 4.556 -0.000 0.000 0.265 395 H C 0.514 175.898 175.328 0.094 0.000 1.461 395 H CA -0.695 55.326 56.048 -0.046 0.000 1.509 395 H CB -0.045 29.703 29.762 -0.023 0.000 1.686 395 H HN 0.368 nan 8.280 nan 0.000 0.514 396 I N -0.132 120.531 120.570 0.155 0.000 3.100 396 I HA 0.693 4.863 4.170 -0.000 0.000 0.312 396 I C -0.144 175.978 176.117 0.008 0.000 1.063 396 I CA -1.417 59.923 61.300 0.066 0.000 1.031 396 I CB 1.883 39.816 38.000 -0.112 0.000 1.243 396 I HN 0.158 nan 8.210 nan 0.000 0.483 397 V N -1.785 118.127 119.914 -0.004 0.000 3.141 397 V HA 0.683 4.803 4.120 -0.000 0.000 0.312 397 V C -2.825 173.386 176.094 0.194 0.000 1.157 397 V CA -2.601 59.757 62.300 0.098 0.000 1.041 397 V CB 0.977 32.835 31.823 0.058 0.000 1.071 397 V HN 0.649 nan 8.190 nan 0.000 0.441 398 P HA 0.359 nan 4.420 nan 0.000 0.261 398 P C 0.868 178.146 177.300 -0.036 0.000 1.183 398 P CA 1.891 65.027 63.100 0.060 0.000 0.761 398 P CB 0.545 32.268 31.700 0.038 0.000 0.785 399 G N 1.820 110.544 108.800 -0.127 0.000 2.253 399 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.209 399 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.209 399 G C -0.233 174.568 174.900 -0.165 0.000 0.997 399 G CA -0.443 44.573 45.100 -0.139 0.000 0.640 399 G HN 0.446 nan 8.290 nan 0.000 0.496 400 L N 0.044 121.178 121.223 -0.149 0.000 2.303 400 L HA 0.934 5.274 4.340 -0.000 0.000 0.266 400 L C -0.512 176.280 176.870 -0.129 0.000 1.011 400 L CA -1.030 53.706 54.840 -0.172 0.000 0.818 400 L CB 2.067 43.960 42.059 -0.277 0.000 1.326 400 L HN 0.119 nan 8.230 nan 0.000 0.435 401 D N -0.876 119.432 120.400 -0.153 0.000 2.694 401 D HA 0.377 5.017 4.640 -0.000 0.000 0.260 401 D C -1.175 175.023 176.300 -0.170 0.000 1.250 401 D CA -0.397 53.468 54.000 -0.224 0.000 0.763 401 D CB 1.568 42.319 40.800 -0.083 0.000 1.311 401 D HN 0.125 nan 8.370 nan 0.000 0.420 402 F N -0.064 120.009 119.950 0.205 0.000 2.251 402 F HA 0.544 5.071 4.527 -0.001 0.000 0.302 402 F C 1.626 177.450 175.800 0.039 0.000 1.143 402 F CA -0.120 57.933 58.000 0.088 0.000 1.104 402 F CB 0.828 39.849 39.000 0.035 0.000 1.516 402 F HN 0.265 nan 8.300 nan 0.000 0.511 403 T N -3.359 111.300 114.554 0.176 0.000 2.716 403 T HA 0.296 4.646 4.350 -0.000 0.000 0.286 403 T C -0.089 174.646 174.700 0.059 0.000 1.052 403 T CA -0.987 61.188 62.100 0.126 0.000 1.024 403 T CB 1.170 70.087 68.868 0.081 0.000 1.349 403 T HN 0.338 nan 8.240 nan 0.000 0.525 404 N N 1.060 119.796 118.700 0.060 0.000 2.461 404 N HA 0.058 4.798 4.740 -0.000 0.000 0.188 404 N C 0.100 175.612 175.510 0.002 0.000 1.134 404 N CA 0.136 53.203 53.050 0.028 0.000 0.878 404 N CB -0.527 37.990 38.487 0.050 0.000 0.972 404 N HN 0.710 nan 8.380 nan 0.000 0.456 405 D N 2.335 122.719 120.400 -0.027 0.000 2.793 405 D HA -0.102 4.538 4.640 -0.000 0.000 0.230 405 D C -1.348 174.928 176.300 -0.041 0.000 1.139 405 D CA -0.815 53.182 54.000 -0.006 0.000 0.838 405 D CB 1.127 41.870 40.800 -0.095 0.000 1.149 405 D HN 0.157 nan 8.370 nan 0.000 0.526 406 P HA -0.102 nan 4.420 nan 0.000 0.229 406 P C 1.521 178.827 177.300 0.011 0.000 1.160 406 P CA 0.142 63.252 63.100 0.017 0.000 0.777 406 P CB 0.383 32.094 31.700 0.020 0.000 0.814 407 L N -0.198 121.037 121.223 0.022 0.000 2.034 407 L HA -0.002 4.338 4.340 -0.000 0.000 0.203 407 L C 2.385 179.146 176.870 -0.181 0.000 1.074 407 L CA 1.312 56.160 54.840 0.015 0.000 0.748 407 L CB -1.660 40.500 42.059 0.168 0.000 0.905 407 L HN -0.170 nan 8.230 nan 0.000 0.439 408 L N -0.345 120.571 121.223 -0.511 0.000 2.013 408 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 408 L C 2.479 179.108 176.870 -0.401 0.000 1.073 408 L CA 1.860 56.237 54.840 -0.772 0.000 0.753 408 L CB -1.025 40.387 42.059 -1.078 0.000 0.890 408 L HN 0.404 nan 8.230 nan 0.000 0.432 409 Q N -0.211 119.417 119.800 -0.288 0.000 2.112 409 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 409 Q C 2.111 178.038 176.000 -0.121 0.000 0.987 409 Q CA 1.865 57.546 55.803 -0.204 0.000 0.858 409 Q CB -0.858 27.808 28.738 -0.121 0.000 0.905 409 Q HN 0.712 nan 8.270 nan 0.000 0.420 410 G N 0.370 109.125 108.800 -0.075 0.000 2.448 410 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.218 410 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.218 410 G C 1.497 176.414 174.900 0.028 0.000 1.135 410 G CA 0.093 45.192 45.100 -0.001 0.000 0.784 410 G HN 0.254 nan 8.290 nan 0.000 0.543 411 R N -0.104 120.375 120.500 -0.036 0.000 2.115 411 R HA 0.096 4.436 4.340 -0.000 0.000 0.230 411 R C 2.409 178.820 176.300 0.185 0.000 1.111 411 R CA 0.568 56.717 56.100 0.083 0.000 0.976 411 R CB -0.376 29.955 30.300 0.053 0.000 0.870 411 R HN 0.344 nan 8.270 nan 0.000 0.445 412 L N -0.348 120.886 121.223 0.020 0.000 2.131 412 L HA -0.167 4.172 4.340 -0.000 0.000 0.210 412 L C 2.267 179.257 176.870 0.200 0.000 1.092 412 L CA 1.101 55.967 54.840 0.043 0.000 0.759 412 L CB -0.456 41.450 42.059 -0.256 0.000 0.903 412 L HN 0.143 nan 8.230 nan 0.000 0.435 413 F N 0.305 120.270 119.950 0.025 0.000 2.128 413 F HA -0.187 4.340 4.527 -0.001 0.000 0.295 413 F C 2.796 178.592 175.800 -0.007 0.000 1.100 413 F CA 1.587 59.596 58.000 0.015 0.000 1.260 413 F CB -0.224 38.771 39.000 -0.008 0.000 1.009 413 F HN -0.032 nan 8.300 nan 0.000 0.476 414 S N -0.806 114.856 115.700 -0.063 0.000 2.387 414 S HA -0.185 4.285 4.470 -0.000 0.000 0.226 414 S C 2.044 176.395 174.600 -0.414 0.000 1.026 414 S CA 1.154 59.191 58.200 -0.272 0.000 0.972 414 S CB -0.855 62.281 63.200 -0.108 0.000 0.814 414 S HN 0.547 nan 8.310 nan 0.000 0.477 415 Y N 1.719 121.700 120.300 -0.533 0.000 2.224 415 Y HA -0.084 4.466 4.550 -0.000 0.000 0.289 415 Y C 3.015 178.453 175.900 -0.771 0.000 1.146 415 Y CA 1.598 59.279 58.100 -0.697 0.000 1.182 415 Y CB -0.878 37.062 38.460 -0.866 0.000 0.983 415 Y HN 0.265 nan 8.280 nan 0.000 0.524 416 T N -0.533 113.613 114.554 -0.681 0.000 2.708 416 T HA -0.216 4.134 4.350 -0.000 0.000 0.266 416 T C 1.439 175.922 174.700 -0.362 0.000 1.037 416 T CA 1.771 63.623 62.100 -0.415 0.000 1.146 416 T CB -0.459 68.277 68.868 -0.220 0.000 0.865 416 T HN 0.374 nan 8.240 nan 0.000 0.435 417 D N 0.364 120.482 120.400 -0.471 0.000 2.097 417 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 417 D C 2.310 178.438 176.300 -0.287 0.000 0.984 417 D CA 1.494 55.250 54.000 -0.407 0.000 0.826 417 D CB -0.504 39.887 40.800 -0.681 0.000 0.973 417 D HN 0.214 nan 8.370 nan 0.000 0.460 418 T N -0.913 113.457 114.554 -0.308 0.000 2.803 418 T HA -0.170 4.179 4.350 -0.000 0.000 0.269 418 T C 1.850 176.415 174.700 -0.224 0.000 1.052 418 T CA 1.463 63.426 62.100 -0.229 0.000 1.136 418 T CB -0.230 68.492 68.868 -0.243 0.000 0.864 418 T HN 0.232 nan 8.240 nan 0.000 0.467 419 Q N -0.190 119.414 119.800 -0.327 0.000 2.226 419 Q HA -0.019 4.321 4.340 -0.000 0.000 0.204 419 Q C 2.137 177.982 176.000 -0.258 0.000 0.975 419 Q CA 0.963 56.512 55.803 -0.424 0.000 0.866 419 Q CB -0.059 28.163 28.738 -0.860 0.000 0.915 419 Q HN 0.471 nan 8.270 nan 0.000 0.440 420 I N 0.295 120.781 120.570 -0.141 0.000 2.493 420 I HA -0.189 3.980 4.170 -0.000 0.000 0.254 420 I C 2.325 178.441 176.117 -0.002 0.000 1.160 420 I CA 1.433 62.735 61.300 0.002 0.000 1.445 420 I CB -1.129 36.882 38.000 0.019 0.000 1.086 420 I HN 0.210 nan 8.210 nan 0.000 0.433 421 S N 0.162 115.840 115.700 -0.037 0.000 2.468 421 S HA -0.021 4.449 4.470 -0.000 0.000 0.226 421 S C 2.153 176.742 174.600 -0.019 0.000 1.051 421 S CA -0.076 58.116 58.200 -0.014 0.000 0.943 421 S CB -0.192 63.000 63.200 -0.013 0.000 0.810 421 S HN 0.281 nan 8.310 nan 0.000 0.509 422 R N 0.954 121.422 120.500 -0.053 0.000 2.083 422 R HA 0.129 4.469 4.340 -0.000 0.000 0.237 422 R C 1.205 177.487 176.300 -0.029 0.000 1.137 422 R CA 1.543 57.614 56.100 -0.048 0.000 0.951 422 R CB -0.296 29.956 30.300 -0.080 0.000 0.851 422 R HN 0.461 nan 8.270 nan 0.000 0.434 423 L N -0.201 120.999 121.223 -0.037 0.000 2.872 423 L HA 0.307 4.647 4.340 -0.000 0.000 0.245 423 L C 0.804 177.703 176.870 0.050 0.000 1.211 423 L CA 0.210 55.053 54.840 0.004 0.000 1.013 423 L CB 0.916 42.979 42.059 0.007 0.000 1.326 423 L HN 0.550 nan 8.230 nan 0.000 0.525 424 G N 0.233 109.058 108.800 0.043 0.000 2.180 424 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.263 424 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.263 424 G C 0.489 175.435 174.900 0.077 0.000 0.989 424 G CA 0.273 45.406 45.100 0.054 0.000 0.692 424 G HN 0.773 nan 8.290 nan 0.000 0.526 425 G N -2.042 106.825 108.800 0.111 0.000 2.324 425 G HA2 0.604 4.564 3.960 -0.000 0.000 0.293 425 G HA3 0.604 4.564 3.960 -0.000 0.000 0.293 425 G C -2.339 172.699 174.900 0.229 0.000 1.297 425 G CA 0.296 45.475 45.100 0.131 0.000 0.853 425 G HN 0.370 nan 8.290 nan 0.000 0.535 426 P HA 0.140 nan 4.420 nan 0.000 0.255 426 P C 0.227 177.503 177.300 -0.041 0.000 1.248 426 P CA 0.283 63.476 63.100 0.154 0.000 0.807 426 P CB 0.230 31.991 31.700 0.102 0.000 1.150 427 N N 0.283 118.964 118.700 -0.032 0.000 2.320 427 N HA 0.070 4.810 4.740 -0.000 0.000 0.237 427 N C 1.061 176.382 175.510 -0.315 0.000 1.129 427 N CA -0.184 52.748 53.050 -0.196 0.000 0.854 427 N CB -0.456 37.964 38.487 -0.111 0.000 1.083 427 N HN 0.236 nan 8.380 nan 0.000 0.504 428 F N 1.162 121.098 119.950 -0.025 0.000 2.269 428 F HA -0.115 4.412 4.527 -0.000 0.000 0.301 428 F C 2.320 178.059 175.800 -0.102 0.000 1.082 428 F CA 0.886 58.845 58.000 -0.068 0.000 1.360 428 F CB -0.880 38.100 39.000 -0.034 0.000 1.041 428 F HN 0.148 nan 8.300 nan 0.000 0.512 429 H N 0.650 119.320 119.070 -0.667 0.000 2.521 429 H HA -0.009 4.547 4.556 -0.000 0.000 0.286 429 H C 0.952 176.125 175.328 -0.258 0.000 1.034 429 H CA 1.502 57.303 56.048 -0.411 0.000 1.278 429 H CB -0.965 28.447 29.762 -0.584 0.000 1.386 429 H HN 0.534 nan 8.280 nan 0.000 0.567 430 E N 0.946 120.676 120.200 -0.784 0.000 2.481 430 E HA 0.165 4.515 4.350 -0.000 0.000 0.195 430 E C 0.350 176.816 176.600 -0.223 0.000 1.047 430 E CA -0.242 55.890 56.400 -0.448 0.000 0.867 430 E CB 0.378 29.833 29.700 -0.408 0.000 0.858 430 E HN 0.436 nan 8.360 nan 0.000 0.513 431 I N 2.584 123.044 120.570 -0.185 0.000 2.598 431 I HA -0.041 4.129 4.170 -0.000 0.000 0.284 431 I C -1.537 174.511 176.117 -0.114 0.000 1.140 431 I CA -1.558 59.667 61.300 -0.126 0.000 1.420 431 I CB 0.564 38.507 38.000 -0.096 0.000 1.387 431 I HN -0.203 nan 8.210 nan 0.000 0.553 432 P HA -0.291 nan 4.420 nan 0.000 0.221 432 P C 1.746 178.970 177.300 -0.127 0.000 1.160 432 P CA 1.515 64.555 63.100 -0.100 0.000 0.933 432 P CB 0.143 31.793 31.700 -0.083 0.000 0.793 433 I N -0.947 119.519 120.570 -0.173 0.000 2.335 433 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 433 I C 1.368 177.405 176.117 -0.134 0.000 1.129 433 I CA 1.763 62.912 61.300 -0.252 0.000 1.402 433 I CB -0.617 37.116 38.000 -0.444 0.000 1.069 433 I HN -0.081 nan 8.210 nan 0.000 0.424 434 N N 0.764 119.402 118.700 -0.104 0.000 2.467 434 N HA 0.017 4.757 4.740 -0.000 0.000 0.184 434 N C 0.249 175.766 175.510 0.013 0.000 1.106 434 N CA 0.223 53.243 53.050 -0.050 0.000 0.892 434 N CB -0.143 38.327 38.487 -0.028 0.000 0.969 434 N HN 0.405 nan 8.380 nan 0.000 0.454 435 R N 1.593 122.098 120.500 0.008 0.000 2.537 435 R HA 0.185 4.525 4.340 -0.000 0.000 0.280 435 R C -2.247 174.124 176.300 0.118 0.000 1.058 435 R CA -1.288 54.824 56.100 0.019 0.000 1.057 435 R CB -0.152 30.145 30.300 -0.005 0.000 0.973 435 R HN 0.007 nan 8.270 nan 0.000 0.438 436 P HA -0.026 nan 4.420 nan 0.000 0.269 436 P C 0.535 177.914 177.300 0.132 0.000 1.215 436 P CA 0.071 63.260 63.100 0.148 0.000 0.780 436 P CB 0.675 32.428 31.700 0.089 0.000 0.898 437 T N -2.582 112.060 114.554 0.145 0.000 3.060 437 T HA 0.092 4.442 4.350 -0.000 0.000 0.249 437 T C 0.820 175.571 174.700 0.085 0.000 1.079 437 T CA -0.020 62.123 62.100 0.072 0.000 1.013 437 T CB -0.998 67.894 68.868 0.039 0.000 0.975 437 T HN 0.557 nan 8.240 nan 0.000 0.518 438 C N 0.941 120.308 119.300 0.111 0.000 2.328 438 C HA 0.820 5.280 4.460 -0.000 0.000 0.378 438 C C -2.507 172.554 174.990 0.118 0.000 1.249 438 C CA -2.553 56.529 59.018 0.106 0.000 2.204 438 C CB 0.196 28.004 27.740 0.113 0.000 2.218 438 C HN 0.166 nan 8.230 nan 0.000 0.564 439 P HA 0.300 nan 4.420 nan 0.000 0.268 439 P C -1.254 176.155 177.300 0.182 0.000 1.205 439 P CA 0.398 63.593 63.100 0.157 0.000 0.771 439 P CB -0.047 31.773 31.700 0.201 0.000 0.858 440 Y N 0.940 121.203 120.300 -0.063 0.000 2.331 440 Y HA 0.639 5.188 4.550 -0.000 0.000 0.326 440 Y C -1.484 174.198 175.900 -0.365 0.000 1.020 440 Y CA -0.917 57.116 58.100 -0.111 0.000 1.136 440 Y CB 1.273 39.668 38.460 -0.108 0.000 1.157 440 Y HN 0.410 nan 8.280 nan 0.000 0.444 441 H N 4.195 123.171 119.070 -0.156 0.000 2.877 441 H HA 0.502 5.057 4.556 -0.000 0.000 0.347 441 H C -1.076 174.140 175.328 -0.187 0.000 1.042 441 H CA -0.751 55.130 56.048 -0.279 0.000 1.276 441 H CB 1.578 31.208 29.762 -0.220 0.000 1.681 441 H HN 0.895 nan 8.280 nan 0.000 0.521 442 N N 0.497 119.098 118.700 -0.164 0.000 3.526 442 N HA 0.222 4.961 4.740 -0.000 0.000 0.328 442 N C -1.014 174.243 175.510 -0.422 0.000 1.601 442 N CA -0.865 52.035 53.050 -0.249 0.000 0.834 442 N CB 0.743 39.234 38.487 0.006 0.000 1.983 442 N HN 0.286 nan 8.380 nan 0.000 0.579 443 F N -0.400 119.593 119.950 0.073 0.000 2.678 443 F HA 0.363 4.890 4.527 -0.000 0.000 0.305 443 F C 0.252 176.095 175.800 0.072 0.000 1.090 443 F CA -0.418 57.619 58.000 0.062 0.000 1.272 443 F CB 0.291 39.323 39.000 0.053 0.000 1.060 443 F HN 0.120 nan 8.300 nan 0.000 0.576 444 Q N 2.092 122.007 119.800 0.192 0.000 2.337 444 Q HA 0.334 4.674 4.340 -0.000 0.000 0.270 444 Q C 0.011 176.089 176.000 0.130 0.000 1.002 444 Q CA 0.109 55.999 55.803 0.145 0.000 0.888 444 Q CB 0.934 29.731 28.738 0.099 0.000 1.222 444 Q HN 0.094 nan 8.270 nan 0.000 0.400 445 R N 1.722 122.293 120.500 0.117 0.000 2.888 445 R HA 0.364 4.703 4.340 -0.000 0.000 0.264 445 R C -0.430 175.920 176.300 0.083 0.000 1.045 445 R CA -0.685 55.475 56.100 0.100 0.000 0.962 445 R CB 0.992 31.354 30.300 0.102 0.000 1.210 445 R HN 0.699 nan 8.270 nan 0.000 0.479 446 D N -0.176 120.266 120.400 0.069 0.000 3.395 446 D HA -0.199 4.441 4.640 -0.000 0.000 0.238 446 D C 0.453 176.788 176.300 0.058 0.000 1.741 446 D CA 2.082 56.116 54.000 0.055 0.000 1.135 446 D CB -1.028 39.803 40.800 0.051 0.000 0.767 446 D HN 0.890 nan 8.370 nan 0.000 0.934 447 G N -1.577 107.255 108.800 0.053 0.000 2.690 447 G HA2 0.222 4.182 3.960 -0.000 0.000 0.686 447 G HA3 0.222 4.182 3.960 -0.000 0.000 0.686 447 G C -0.327 174.607 174.900 0.056 0.000 1.277 447 G CA 0.029 45.164 45.100 0.058 0.000 0.799 447 G HN 0.813 nan 8.290 nan 0.000 0.613 448 M N 1.042 120.681 119.600 0.065 0.000 2.249 448 M HA 0.497 4.977 4.480 -0.000 0.000 0.340 448 M C 1.096 177.470 176.300 0.124 0.000 1.166 448 M CA 1.196 56.541 55.300 0.076 0.000 1.115 448 M CB -0.483 32.163 32.600 0.077 0.000 1.606 448 M HN 1.540 nan 8.290 nan 0.000 0.448 449 H N 0.885 119.959 119.070 0.006 0.000 2.604 449 H HA -0.194 4.361 4.556 -0.000 0.000 0.321 449 H C -0.735 174.583 175.328 -0.016 0.000 1.132 449 H CA 0.624 56.670 56.048 -0.002 0.000 1.129 449 H CB -0.623 29.139 29.762 0.000 0.000 1.526 449 H HN 0.621 nan 8.280 nan 0.000 0.415 450 R N 1.408 121.942 120.500 0.056 0.000 2.370 450 R HA 0.048 4.387 4.340 -0.000 0.000 0.309 450 R C 0.928 177.248 176.300 0.033 0.000 1.059 450 R CA 0.032 56.157 56.100 0.042 0.000 0.981 450 R CB 0.295 30.611 30.300 0.027 0.000 0.972 450 R HN 0.386 nan 8.270 nan 0.000 0.437 451 M N 2.607 122.235 119.600 0.046 0.000 2.412 451 M HA 0.210 4.690 4.480 -0.000 0.000 0.263 451 M C 0.953 177.259 176.300 0.011 0.000 1.122 451 M CA 1.035 56.357 55.300 0.037 0.000 1.179 451 M CB -0.956 31.665 32.600 0.035 0.000 1.335 451 M HN 0.701 nan 8.290 nan 0.000 0.465 452 G N 2.286 111.093 108.800 0.012 0.000 2.299 452 G HA2 0.336 4.296 3.960 -0.000 0.000 0.256 452 G HA3 0.336 4.296 3.960 -0.000 0.000 0.256 452 G C -0.322 174.577 174.900 -0.003 0.000 1.259 452 G CA -0.281 44.820 45.100 0.001 0.000 0.943 452 G HN 0.331 nan 8.290 nan 0.000 0.479 453 I N 3.047 123.607 120.570 -0.016 0.000 2.306 453 I HA 0.111 4.280 4.170 -0.000 0.000 0.288 453 I C -0.233 175.874 176.117 -0.017 0.000 1.036 453 I CA -0.507 60.786 61.300 -0.010 0.000 1.221 453 I CB 1.030 39.024 38.000 -0.010 0.000 1.385 453 I HN 0.363 nan 8.210 nan 0.000 0.472 454 D N 4.734 125.130 120.400 -0.007 0.000 2.308 454 D HA 0.084 4.724 4.640 -0.000 0.000 0.251 454 D C 1.153 177.456 176.300 0.005 0.000 1.127 454 D CA 0.181 54.175 54.000 -0.011 0.000 0.876 454 D CB 2.012 42.814 40.800 0.003 0.000 1.176 454 D HN 0.574 nan 8.370 nan 0.000 0.446 455 T N -0.513 114.041 114.554 -0.001 0.000 3.022 455 T HA -0.063 4.287 4.350 -0.000 0.000 0.250 455 T C 0.845 175.558 174.700 0.021 0.000 1.060 455 T CA -0.457 61.648 62.100 0.008 0.000 1.013 455 T CB 0.174 69.041 68.868 -0.002 0.000 0.982 455 T HN 0.125 nan 8.240 nan 0.000 0.508 456 N N 3.496 122.211 118.700 0.024 0.000 2.359 456 N HA 0.074 4.813 4.740 -0.000 0.000 0.261 456 N C -1.517 174.033 175.510 0.067 0.000 1.267 456 N CA -1.459 51.619 53.050 0.046 0.000 0.864 456 N CB 1.452 39.968 38.487 0.048 0.000 1.063 456 N HN 0.103 nan 8.380 nan 0.000 0.474 457 P HA -0.020 nan 4.420 nan 0.000 0.220 457 P C -0.437 176.922 177.300 0.097 0.000 1.148 457 P CA 0.907 64.052 63.100 0.076 0.000 0.803 457 P CB 0.191 31.932 31.700 0.068 0.000 0.782 458 A N 0.774 123.641 122.820 0.078 0.000 2.312 458 A HA 0.464 4.784 4.320 -0.000 0.000 0.328 458 A C 0.442 178.111 177.584 0.141 0.000 1.158 458 A CA -0.686 51.347 52.037 -0.007 0.000 0.821 458 A CB 0.180 18.985 19.000 -0.325 0.000 1.170 458 A HN 0.273 nan 8.150 nan 0.000 0.490 459 N N -0.146 118.663 118.700 0.182 0.000 2.365 459 N HA 0.359 5.099 4.740 -0.000 0.000 0.257 459 N C -0.973 174.671 175.510 0.223 0.000 1.287 459 N CA -0.333 52.916 53.050 0.332 0.000 0.882 459 N CB 0.426 39.075 38.487 0.270 0.000 1.250 459 N HN 0.683 nan 8.380 nan 0.000 0.507 460 Y N -0.954 119.194 120.300 -0.254 0.000 2.609 460 Y HA 0.683 5.233 4.550 -0.000 0.000 0.336 460 Y C -1.542 173.787 175.900 -0.952 0.000 1.129 460 Y CA -1.313 56.465 58.100 -0.537 0.000 1.040 460 Y CB 1.007 39.332 38.460 -0.225 0.000 1.310 460 Y HN 0.084 nan 8.280 nan 0.000 0.460 461 E N 0.806 120.579 120.200 -0.711 0.000 2.383 461 E HA 0.659 5.009 4.350 -0.000 0.000 0.275 461 E C -3.185 173.325 176.600 -0.151 0.000 0.918 461 E CA -2.049 54.031 56.400 -0.534 0.000 0.764 461 E CB 1.586 30.916 29.700 -0.617 0.000 1.252 461 E HN 0.551 nan 8.360 nan 0.000 0.449 462 P HA 0.252 nan 4.420 nan 0.000 0.271 462 P C -1.232 176.034 177.300 -0.056 0.000 1.218 462 P CA -0.354 62.690 63.100 -0.093 0.000 0.780 462 P CB 0.375 32.050 31.700 -0.042 0.000 0.901 463 N N -1.315 117.281 118.700 -0.174 0.000 2.262 463 N HA 0.352 5.091 4.740 -0.000 0.000 0.295 463 N C 0.331 175.800 175.510 -0.069 0.000 1.161 463 N CA -0.736 52.214 53.050 -0.167 0.000 0.767 463 N CB 1.484 39.563 38.487 -0.681 0.000 1.499 463 N HN 0.189 nan 8.380 nan 0.000 0.476 464 S N 0.911 116.619 115.700 0.013 0.000 2.499 464 S HA -0.025 4.445 4.470 -0.000 0.000 0.225 464 S C 1.621 176.235 174.600 0.023 0.000 1.050 464 S CA 0.108 58.314 58.200 0.010 0.000 0.928 464 S CB -0.827 62.389 63.200 0.027 0.000 0.803 464 S HN 0.716 nan 8.310 nan 0.000 0.506 465 I N -0.424 120.171 120.570 0.041 0.000 2.850 465 I HA 0.152 4.322 4.170 -0.000 0.000 0.266 465 I C 1.243 177.394 176.117 0.055 0.000 1.257 465 I CA 1.410 62.742 61.300 0.054 0.000 1.465 465 I CB -0.433 37.616 38.000 0.082 0.000 1.091 465 I HN 0.218 nan 8.210 nan 0.000 0.467 466 N N 0.903 119.635 118.700 0.054 0.000 2.240 466 N HA 0.035 4.775 4.740 -0.000 0.000 0.240 466 N C -0.142 175.476 175.510 0.179 0.000 1.277 466 N CA -0.059 53.062 53.050 0.118 0.000 0.873 466 N CB 0.171 38.740 38.487 0.136 0.000 1.222 466 N HN 0.205 nan 8.380 nan 0.000 0.507 467 D N 0.921 121.369 120.400 0.080 0.000 2.708 467 D HA -0.255 4.385 4.640 -0.000 0.000 0.236 467 D C -0.163 176.011 176.300 -0.209 0.000 1.146 467 D CA 1.065 55.066 54.000 0.002 0.000 0.662 467 D CB -1.402 39.468 40.800 0.118 0.000 1.059 467 D HN 0.484 nan 8.370 nan 0.000 0.428 468 N N -1.540 117.075 118.700 -0.142 0.000 2.741 468 N HA -0.250 4.490 4.740 -0.000 0.000 0.251 468 N C -0.850 174.567 175.510 -0.156 0.000 1.112 468 N CA 1.381 54.325 53.050 -0.178 0.000 0.750 468 N CB -1.234 37.094 38.487 -0.265 0.000 1.119 468 N HN 0.551 nan 8.380 nan 0.000 0.561 469 W N 0.696 122.042 121.300 0.076 0.000 2.376 469 W HA 0.420 5.080 4.660 -0.000 0.000 0.322 469 W C -1.720 174.820 176.519 0.036 0.000 1.160 469 W CA -1.766 55.601 57.345 0.036 0.000 1.218 469 W CB 0.793 30.236 29.460 -0.028 0.000 1.205 469 W HN -0.021 nan 8.180 nan 0.000 0.559 470 P HA 0.209 nan 4.420 nan 0.000 0.279 470 P C -0.704 176.721 177.300 0.209 0.000 1.239 470 P CA -0.218 63.016 63.100 0.222 0.000 0.789 470 P CB 0.918 32.605 31.700 -0.022 0.000 0.933 471 R N 1.372 121.988 120.500 0.194 0.000 2.598 471 R HA 0.338 4.678 4.340 -0.000 0.000 0.279 471 R C 0.314 176.654 176.300 0.067 0.000 0.984 471 R CA -0.852 55.248 56.100 0.001 0.000 0.999 471 R CB 0.984 31.091 30.300 -0.321 0.000 1.114 471 R HN 0.482 nan 8.270 nan 0.000 0.493 472 E N 0.797 121.023 120.200 0.045 0.000 2.436 472 E HA 0.002 4.351 4.350 -0.000 0.000 0.262 472 E C -0.559 176.067 176.600 0.044 0.000 1.063 472 E CA 0.796 57.230 56.400 0.057 0.000 0.944 472 E CB 0.615 30.339 29.700 0.039 0.000 0.950 472 E HN 0.360 nan 8.360 nan 0.000 0.444 473 T N 3.871 118.460 114.554 0.059 0.000 2.937 473 T HA 0.307 4.657 4.350 -0.000 0.000 0.297 473 T C -2.485 172.242 174.700 0.045 0.000 0.991 473 T CA -1.532 60.601 62.100 0.055 0.000 0.990 473 T CB 1.439 70.350 68.868 0.072 0.000 0.991 473 T HN 0.242 nan 8.240 nan 0.000 0.440 474 P HA 0.194 nan 4.420 nan 0.000 0.267 474 P C -2.439 174.869 177.300 0.014 0.000 1.200 474 P CA -1.134 61.977 63.100 0.018 0.000 0.772 474 P CB -0.425 31.280 31.700 0.009 0.000 0.855 475 P HA 0.292 nan 4.420 nan 0.000 0.270 475 P C 0.084 177.372 177.300 -0.020 0.000 1.223 475 P CA 0.405 63.492 63.100 -0.022 0.000 0.785 475 P CB 0.564 32.233 31.700 -0.051 0.000 0.923 476 G N 0.537 109.321 108.800 -0.027 0.000 2.349 476 G HA2 0.346 4.305 3.960 -0.000 0.000 0.294 476 G HA3 0.346 4.305 3.960 -0.000 0.000 0.294 476 G C -2.679 172.206 174.900 -0.025 0.000 1.380 476 G CA -0.728 44.361 45.100 -0.020 0.000 0.811 476 G HN 0.126 nan 8.290 nan 0.000 0.519 477 P HA 0.106 nan 4.420 nan 0.000 0.219 477 P C 0.271 177.562 177.300 -0.016 0.000 1.150 477 P CA 1.117 64.204 63.100 -0.022 0.000 0.814 477 P CB 0.226 31.916 31.700 -0.017 0.000 0.787 478 K N -1.195 119.203 120.400 -0.003 0.000 2.525 478 K HA 0.390 4.709 4.320 -0.000 0.000 0.254 478 K C -0.151 176.461 176.600 0.020 0.000 0.934 478 K CA -0.789 55.504 56.287 0.009 0.000 0.802 478 K CB 1.826 34.333 32.500 0.012 0.000 1.295 478 K HN -0.359 nan 8.250 nan 0.000 0.433 479 R N -0.516 120.004 120.500 0.033 0.000 3.770 479 R HA -0.140 4.200 4.340 -0.000 0.000 0.305 479 R C -0.056 176.269 176.300 0.043 0.000 1.184 479 R CA 1.036 57.162 56.100 0.044 0.000 0.823 479 R CB -2.316 28.009 30.300 0.041 0.000 1.285 479 R HN 0.935 nan 8.270 nan 0.000 0.499 480 G N -0.896 107.924 108.800 0.033 0.000 2.462 480 G HA2 0.624 4.584 3.960 -0.000 0.000 0.319 480 G HA3 0.624 4.584 3.960 -0.000 0.000 0.319 480 G C 0.378 175.307 174.900 0.048 0.000 1.171 480 G CA 0.072 45.190 45.100 0.029 0.000 0.920 480 G HN 0.258 nan 8.290 nan 0.000 0.499 481 G N -1.134 107.699 108.800 0.054 0.000 2.606 481 G HA2 0.398 4.358 3.960 -0.000 0.000 0.252 481 G HA3 0.398 4.358 3.960 -0.000 0.000 0.252 481 G C -0.591 174.366 174.900 0.096 0.000 1.206 481 G CA -0.557 44.597 45.100 0.091 0.000 0.861 481 G HN 0.469 nan 8.290 nan 0.000 0.561 482 F N 0.321 120.287 119.950 0.026 0.000 2.495 482 F HA 0.360 4.887 4.527 -0.001 0.000 0.365 482 F C 0.594 176.407 175.800 0.023 0.000 1.090 482 F CA -0.054 57.956 58.000 0.018 0.000 1.235 482 F CB 0.816 39.829 39.000 0.021 0.000 1.119 482 F HN 0.431 nan 8.300 nan 0.000 0.562 483 E N 4.230 124.162 120.200 -0.446 0.000 2.246 483 E HA 0.286 4.636 4.350 -0.000 0.000 0.266 483 E C -1.169 175.220 176.600 -0.351 0.000 0.880 483 E CA -0.752 55.535 56.400 -0.189 0.000 0.762 483 E CB 1.527 31.155 29.700 -0.119 0.000 1.180 483 E HN 0.612 nan 8.360 nan 0.000 0.416 484 S N 2.624 118.319 115.700 -0.009 0.000 2.562 484 S HA 0.003 4.473 4.470 -0.000 0.000 0.281 484 S C -0.480 174.131 174.600 0.018 0.000 1.333 484 S CA -0.361 57.882 58.200 0.073 0.000 1.052 484 S CB 0.124 63.469 63.200 0.242 0.000 0.884 484 S HN 0.476 nan 8.310 nan 0.000 0.506 485 Y N 2.633 122.878 120.300 -0.091 0.000 2.811 485 Y HA -0.066 4.483 4.550 -0.000 0.000 0.334 485 Y C 0.842 176.728 175.900 -0.024 0.000 1.247 485 Y CA 0.140 58.192 58.100 -0.079 0.000 1.526 485 Y CB 0.123 38.538 38.460 -0.075 0.000 1.284 485 Y HN 0.579 nan 8.280 nan 0.000 0.586 486 Q N 5.337 124.782 119.800 -0.593 0.000 3.184 486 Q HA 0.019 4.359 4.340 -0.000 0.000 0.288 486 Q C -0.186 175.477 176.000 -0.563 0.000 1.412 486 Q CA -0.035 55.502 55.803 -0.443 0.000 0.991 486 Q CB -0.195 28.363 28.738 -0.299 0.000 1.688 486 Q HN 0.640 nan 8.270 nan 0.000 0.554 487 E N 1.547 121.516 120.200 -0.385 0.000 2.392 487 E HA 0.029 4.378 4.350 -0.000 0.000 0.264 487 E C -0.262 176.301 176.600 -0.062 0.000 1.024 487 E CA -0.472 55.845 56.400 -0.140 0.000 0.903 487 E CB 0.675 30.450 29.700 0.126 0.000 0.963 487 E HN 0.158 nan 8.360 nan 0.000 0.432 488 R N 2.945 123.433 120.500 -0.019 0.000 2.340 488 R HA 0.248 4.588 4.340 -0.000 0.000 0.300 488 R C -1.512 174.810 176.300 0.037 0.000 1.069 488 R CA -0.294 55.807 56.100 0.002 0.000 0.984 488 R CB 0.994 31.302 30.300 0.013 0.000 1.003 488 R HN 0.289 nan 8.270 nan 0.000 0.459 489 V N 5.138 125.067 119.914 0.026 0.000 2.350 489 V HA 0.375 4.495 4.120 -0.000 0.000 0.285 489 V C -0.636 175.471 176.094 0.022 0.000 1.014 489 V CA -0.537 61.782 62.300 0.032 0.000 0.831 489 V CB 1.406 33.245 31.823 0.026 0.000 1.000 489 V HN 0.834 nan 8.190 nan 0.000 0.433 490 E N 3.123 123.338 120.200 0.026 0.000 2.265 490 E HA 0.731 5.081 4.350 -0.000 0.000 0.262 490 E C -0.010 176.597 176.600 0.012 0.000 0.889 490 E CA -0.393 56.016 56.400 0.015 0.000 0.789 490 E CB 2.352 32.059 29.700 0.013 0.000 1.221 490 E HN 0.922 nan 8.360 nan 0.000 0.414 491 G N 2.395 111.197 108.800 0.004 0.000 2.328 491 G HA2 0.169 4.129 3.960 -0.000 0.000 0.295 491 G HA3 0.169 4.129 3.960 -0.000 0.000 0.295 491 G C -1.483 173.412 174.900 -0.008 0.000 1.413 491 G CA -0.984 44.114 45.100 -0.002 0.000 0.817 491 G HN 0.344 nan 8.290 nan 0.000 0.546 492 N N -0.010 118.682 118.700 -0.013 0.000 2.489 492 N HA 0.440 5.180 4.740 -0.000 0.000 0.284 492 N C -0.262 175.236 175.510 -0.021 0.000 1.158 492 N CA -0.564 52.476 53.050 -0.016 0.000 0.965 492 N CB 1.145 39.622 38.487 -0.017 0.000 1.195 492 N HN 0.404 nan 8.380 nan 0.000 0.506 493 K N 1.080 121.468 120.400 -0.021 0.000 2.307 493 K HA 0.175 4.495 4.320 -0.000 0.000 0.285 493 K C -0.613 175.967 176.600 -0.035 0.000 1.073 493 K CA -0.171 56.100 56.287 -0.027 0.000 0.996 493 K CB -0.314 32.171 32.500 -0.025 0.000 0.994 493 K HN 0.369 nan 8.250 nan 0.000 0.452 494 V N 0.208 120.096 119.914 -0.042 0.000 2.962 494 V HA 0.515 4.635 4.120 -0.000 0.000 0.313 494 V C -0.534 175.520 176.094 -0.066 0.000 1.099 494 V CA -1.336 60.934 62.300 -0.050 0.000 0.971 494 V CB 2.097 33.892 31.823 -0.047 0.000 1.028 494 V HN 0.604 nan 8.190 nan 0.000 0.430 495 R N 2.075 122.531 120.500 -0.073 0.000 2.423 495 R HA 0.598 4.938 4.340 -0.000 0.000 0.293 495 R C -0.612 175.639 176.300 -0.083 0.000 1.196 495 R CA -0.161 55.882 56.100 -0.095 0.000 1.262 495 R CB 0.886 31.115 30.300 -0.119 0.000 1.116 495 R HN 0.930 nan 8.270 nan 0.000 0.566 496 E N 1.783 121.930 120.200 -0.087 0.000 2.321 496 E HA 0.235 4.584 4.350 -0.000 0.000 0.278 496 E C -1.249 175.280 176.600 -0.118 0.000 0.902 496 E CA -1.051 55.299 56.400 -0.083 0.000 0.758 496 E CB 1.720 31.378 29.700 -0.070 0.000 1.213 496 E HN 0.096 nan 8.360 nan 0.000 0.426 497 R N 1.789 122.223 120.500 -0.109 0.000 2.347 497 R HA 0.170 4.509 4.340 -0.000 0.000 0.304 497 R C -0.507 175.672 176.300 -0.202 0.000 1.072 497 R CA 0.155 56.154 56.100 -0.168 0.000 0.980 497 R CB 0.938 31.199 30.300 -0.066 0.000 0.986 497 R HN 0.371 nan 8.270 nan 0.000 0.448 498 S N 5.555 121.021 115.700 -0.390 0.000 2.546 498 S HA 0.068 4.538 4.470 -0.000 0.000 0.290 498 S C -1.442 173.112 174.600 -0.076 0.000 1.290 498 S CA -1.143 56.906 58.200 -0.252 0.000 1.069 498 S CB 0.589 63.556 63.200 -0.388 0.000 0.846 498 S HN 0.546 nan 8.310 nan 0.000 0.495 499 P HA -0.123 nan 4.420 nan 0.000 0.217 499 P C 1.460 178.805 177.300 0.076 0.000 1.148 499 P CA 1.396 64.514 63.100 0.031 0.000 0.828 499 P CB -0.178 31.535 31.700 0.022 0.000 0.783 500 S N -2.238 113.545 115.700 0.138 0.000 2.474 500 S HA -0.082 4.387 4.470 -0.000 0.000 0.235 500 S C 1.413 176.169 174.600 0.259 0.000 0.997 500 S CA 0.743 59.055 58.200 0.187 0.000 0.949 500 S CB -1.281 62.059 63.200 0.233 0.000 0.766 500 S HN -0.024 nan 8.310 nan 0.000 0.517 501 F N 2.240 122.176 119.950 -0.024 0.000 2.789 501 F HA 0.382 4.909 4.527 -0.000 0.000 0.300 501 F C 2.029 177.767 175.800 -0.104 0.000 1.132 501 F CA -0.982 57.001 58.000 -0.030 0.000 1.404 501 F CB -0.878 38.135 39.000 0.021 0.000 1.114 501 F HN 0.332 nan 8.300 nan 0.000 0.584 502 G N 0.715 109.536 108.800 0.036 0.000 3.325 502 G HA2 0.026 3.985 3.960 -0.000 0.000 0.242 502 G HA3 0.026 3.985 3.960 -0.000 0.000 0.242 502 G C 0.091 174.609 174.900 -0.636 0.000 1.120 502 G CA 0.209 45.166 45.100 -0.240 0.000 1.778 502 G HN 0.078 nan 8.290 nan 0.000 0.610 503 E N 0.021 119.752 120.200 -0.782 0.000 2.260 503 E HA 0.309 4.658 4.350 -0.000 0.000 0.266 503 E C -0.900 175.242 176.600 -0.764 0.000 0.887 503 E CA -0.768 55.225 56.400 -0.679 0.000 0.777 503 E CB 1.427 30.981 29.700 -0.243 0.000 1.205 503 E HN 0.230 nan 8.360 nan 0.000 0.414 504 Y N 2.675 122.760 120.300 -0.357 0.000 2.471 504 Y HA 0.196 4.746 4.550 -0.000 0.000 0.249 504 Y C 0.713 176.328 175.900 -0.474 0.000 1.116 504 Y CA -0.171 57.649 58.100 -0.466 0.000 1.240 504 Y CB 0.353 38.414 38.460 -0.665 0.000 1.251 504 Y HN 0.419 nan 8.280 nan 0.000 0.527 505 Y N -1.021 119.359 120.300 0.133 0.000 2.535 505 Y HA 0.061 4.611 4.550 -0.000 0.000 0.266 505 Y C 2.409 178.363 175.900 0.091 0.000 1.088 505 Y CA 0.258 58.433 58.100 0.124 0.000 1.285 505 Y CB -0.438 38.102 38.460 0.133 0.000 1.166 505 Y HN 0.061 nan 8.280 nan 0.000 0.525 506 S N -0.918 114.903 115.700 0.202 0.000 2.406 506 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 506 S C 1.602 176.244 174.600 0.069 0.000 1.020 506 S CA 1.214 59.506 58.200 0.152 0.000 0.965 506 S CB -0.736 62.554 63.200 0.150 0.000 0.798 506 S HN 0.506 nan 8.310 nan 0.000 0.488 507 H N 2.670 121.646 119.070 -0.157 0.000 2.321 507 H HA 0.025 4.581 4.556 -0.000 0.000 0.300 507 H C -0.513 174.591 175.328 -0.373 0.000 1.087 507 H CA 1.684 57.483 56.048 -0.415 0.000 1.319 507 H CB -1.403 27.901 29.762 -0.764 0.000 1.379 507 H HN 0.402 nan 8.280 nan 0.000 0.501 508 P HA -0.167 nan 4.420 nan 0.000 0.216 508 P C 1.680 179.154 177.300 0.291 0.000 1.153 508 P CA 1.492 64.728 63.100 0.227 0.000 0.858 508 P CB -0.140 31.725 31.700 0.276 0.000 0.789 509 R N -0.419 120.202 120.500 0.202 0.000 2.075 509 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 509 R C 2.166 178.588 176.300 0.203 0.000 1.126 509 R CA 1.112 57.337 56.100 0.209 0.000 0.963 509 R CB -1.118 29.265 30.300 0.139 0.000 0.858 509 R HN 0.036 nan 8.270 nan 0.000 0.435 510 L N 0.659 121.944 121.223 0.104 0.000 1.990 510 L HA -0.194 4.146 4.340 -0.000 0.000 0.213 510 L C 2.020 178.943 176.870 0.088 0.000 1.072 510 L CA 1.909 56.777 54.840 0.046 0.000 0.755 510 L CB -0.901 41.116 42.059 -0.070 0.000 0.889 510 L HN 0.265 nan 8.230 nan 0.000 0.432 511 F N -0.781 119.192 119.950 0.039 0.000 2.095 511 F HA -0.296 4.230 4.527 -0.000 0.000 0.298 511 F C 2.351 178.150 175.800 -0.002 0.000 1.104 511 F CA 2.254 60.252 58.000 -0.003 0.000 1.232 511 F CB -0.631 38.394 39.000 0.042 0.000 0.987 511 F HN 0.412 nan 8.300 nan 0.000 0.475 512 W N 1.420 122.698 121.300 -0.037 0.000 2.315 512 W HA -0.275 4.385 4.660 -0.000 0.000 0.323 512 W C 1.880 178.268 176.519 -0.219 0.000 1.233 512 W CA 2.063 59.334 57.345 -0.124 0.000 1.267 512 W CB -0.857 28.613 29.460 0.016 0.000 1.160 512 W HN 0.076 nan 8.180 nan 0.000 0.474 513 L N 1.191 122.357 121.223 -0.094 0.000 2.265 513 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 513 L C 2.262 178.957 176.870 -0.291 0.000 1.117 513 L CA 1.198 55.912 54.840 -0.210 0.000 0.782 513 L CB -0.748 41.307 42.059 -0.007 0.000 0.914 513 L HN -0.113 nan 8.230 nan 0.000 0.441 514 S N -1.495 114.015 115.700 -0.316 0.000 2.593 514 S HA 0.068 4.538 4.470 -0.000 0.000 0.217 514 S C 0.688 175.022 174.600 -0.442 0.000 0.966 514 S CA 0.036 58.049 58.200 -0.313 0.000 0.914 514 S CB 0.025 63.079 63.200 -0.244 0.000 0.776 514 S HN 0.284 nan 8.310 nan 0.000 0.523 515 Q N 2.048 121.485 119.800 -0.606 0.000 2.221 515 Q HA 0.338 4.677 4.340 -0.000 0.000 0.242 515 Q C 0.578 176.200 176.000 -0.630 0.000 0.940 515 Q CA -0.170 55.227 55.803 -0.677 0.000 0.896 515 Q CB 0.722 28.972 28.738 -0.814 0.000 1.226 515 Q HN 0.412 nan 8.270 nan 0.000 0.463 516 T N -2.120 112.017 114.554 -0.695 0.000 2.788 516 T HA 0.195 4.545 4.350 -0.000 0.000 0.287 516 T C -1.765 172.468 174.700 -0.779 0.000 1.007 516 T CA -1.366 60.289 62.100 -0.742 0.000 1.005 516 T CB 0.390 68.604 68.868 -1.090 0.000 1.012 516 T HN 0.204 nan 8.240 nan 0.000 0.530 517 P HA -0.057 nan 4.420 nan 0.000 0.215 517 P C 1.482 178.539 177.300 -0.405 0.000 1.157 517 P CA 1.194 64.056 63.100 -0.397 0.000 0.868 517 P CB -0.290 31.299 31.700 -0.185 0.000 0.788 518 F N -0.142 119.597 119.950 -0.352 0.000 2.293 518 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 518 F C 1.884 177.284 175.800 -0.666 0.000 1.086 518 F CA 0.876 58.587 58.000 -0.483 0.000 1.375 518 F CB -1.501 37.218 39.000 -0.469 0.000 1.045 518 F HN -0.085 nan 8.300 nan 0.000 0.516 519 E N 0.535 120.102 120.200 -1.056 0.000 2.047 519 E HA -0.203 4.147 4.350 -0.000 0.000 0.191 519 E C 2.265 178.641 176.600 -0.374 0.000 0.987 519 E CA 1.353 57.381 56.400 -0.621 0.000 0.799 519 E CB -0.205 29.083 29.700 -0.687 0.000 0.752 519 E HN 0.608 nan 8.360 nan 0.000 0.449 520 Q N 0.198 119.697 119.800 -0.502 0.000 2.096 520 Q HA -0.214 4.125 4.340 -0.000 0.000 0.204 520 Q C 2.309 178.305 176.000 -0.008 0.000 0.982 520 Q CA 1.200 56.731 55.803 -0.453 0.000 0.850 520 Q CB -0.226 27.997 28.738 -0.858 0.000 0.901 520 Q HN 0.149 nan 8.270 nan 0.000 0.422 521 R N 0.301 120.759 120.500 -0.070 0.000 2.081 521 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 521 R C 1.731 178.167 176.300 0.228 0.000 1.131 521 R CA 1.651 57.802 56.100 0.085 0.000 0.960 521 R CB -0.184 30.128 30.300 0.020 0.000 0.856 521 R HN 0.506 nan 8.270 nan 0.000 0.436 522 H N -0.265 118.888 119.070 0.138 0.000 2.389 522 H HA -0.053 4.503 4.556 -0.000 0.000 0.299 522 H C 2.240 177.681 175.328 0.188 0.000 1.081 522 H CA 1.298 57.446 56.048 0.167 0.000 1.345 522 H CB 0.025 29.892 29.762 0.174 0.000 1.393 522 H HN 0.202 nan 8.280 nan 0.000 0.520 523 I N 0.262 121.035 120.570 0.338 0.000 2.127 523 I HA -0.275 3.894 4.170 -0.000 0.000 0.241 523 I C 2.323 178.726 176.117 0.476 0.000 1.075 523 I CA 0.918 62.464 61.300 0.411 0.000 1.334 523 I CB -0.274 38.055 38.000 0.547 0.000 1.040 523 I HN 0.083 nan 8.210 nan 0.000 0.405 524 V N 1.042 121.224 119.914 0.446 0.000 2.252 524 V HA -0.332 3.788 4.120 -0.000 0.000 0.249 524 V C 2.089 178.361 176.094 0.296 0.000 1.056 524 V CA 2.238 64.753 62.300 0.358 0.000 1.022 524 V CB -0.733 31.258 31.823 0.281 0.000 0.641 524 V HN 0.428 nan 8.190 nan 0.000 0.445 525 D N 0.425 120.981 120.400 0.260 0.000 2.178 525 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 525 D C 2.152 178.538 176.300 0.143 0.000 0.980 525 D CA 1.535 55.660 54.000 0.209 0.000 0.842 525 D CB -0.603 40.330 40.800 0.222 0.000 0.948 525 D HN 0.496 nan 8.370 nan 0.000 0.472 526 G N -0.003 108.858 108.800 0.103 0.000 2.404 526 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 526 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 526 G C 1.460 176.349 174.900 -0.018 0.000 1.174 526 G CA 0.142 45.203 45.100 -0.065 0.000 0.780 526 G HN 0.163 nan 8.290 nan 0.000 0.537 527 F N 1.962 121.944 119.950 0.052 0.000 2.095 527 F HA -0.095 4.431 4.527 -0.000 0.000 0.298 527 F C 3.176 178.897 175.800 -0.132 0.000 1.104 527 F CA 1.707 59.677 58.000 -0.051 0.000 1.232 527 F CB -0.311 38.677 39.000 -0.021 0.000 0.987 527 F HN 0.095 nan 8.300 nan 0.000 0.475 528 S N -0.102 115.690 115.700 0.153 0.000 2.355 528 S HA -0.207 4.262 4.470 -0.000 0.000 0.222 528 S C 1.868 176.481 174.600 0.021 0.000 1.031 528 S CA 1.207 59.444 58.200 0.063 0.000 0.993 528 S CB -0.900 62.359 63.200 0.099 0.000 0.859 528 S HN 0.388 nan 8.310 nan 0.000 0.453 529 F N 2.719 122.630 119.950 -0.064 0.000 2.069 529 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 529 F C 2.437 178.170 175.800 -0.111 0.000 1.113 529 F CA 1.657 59.611 58.000 -0.078 0.000 1.214 529 F CB -0.256 38.646 39.000 -0.164 0.000 0.978 529 F HN 0.123 nan 8.300 nan 0.000 0.474 530 E N 0.484 120.633 120.200 -0.086 0.000 2.077 530 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 530 E C 2.356 178.721 176.600 -0.391 0.000 0.989 530 E CA 1.575 57.875 56.400 -0.167 0.000 0.800 530 E CB -0.508 29.186 29.700 -0.010 0.000 0.746 530 E HN 0.488 nan 8.360 nan 0.000 0.452 531 L N 1.369 122.299 121.223 -0.488 0.000 2.291 531 L HA -0.105 4.235 4.340 -0.000 0.000 0.214 531 L C 2.644 179.344 176.870 -0.284 0.000 1.120 531 L CA 0.966 55.519 54.840 -0.478 0.000 0.799 531 L CB -0.383 41.433 42.059 -0.405 0.000 0.925 531 L HN 0.132 nan 8.230 nan 0.000 0.446 532 S N -0.853 114.689 115.700 -0.264 0.000 2.481 532 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 532 S C 1.702 176.179 174.600 -0.206 0.000 0.996 532 S CA 0.490 58.564 58.200 -0.210 0.000 0.942 532 S CB -0.090 62.986 63.200 -0.207 0.000 0.768 532 S HN 0.277 nan 8.310 nan 0.000 0.520 533 K N 1.283 121.538 120.400 -0.241 0.000 2.404 533 K HA 0.315 4.635 4.320 -0.000 0.000 0.194 533 K C -0.157 176.429 176.600 -0.023 0.000 1.023 533 K CA 0.026 56.231 56.287 -0.137 0.000 1.094 533 K CB 0.177 32.597 32.500 -0.134 0.000 0.841 533 K HN 0.322 nan 8.250 nan 0.000 0.523 534 V N 2.184 122.063 119.914 -0.059 0.000 2.368 534 V HA 0.030 4.150 4.120 -0.000 0.000 0.266 534 V C 1.746 177.815 176.094 -0.041 0.000 1.045 534 V CA -0.179 62.110 62.300 -0.017 0.000 0.899 534 V CB 1.279 33.075 31.823 -0.044 0.000 1.006 534 V HN -0.138 nan 8.190 nan 0.000 0.470 535 V N 5.200 125.112 119.914 -0.003 0.000 2.343 535 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 535 V C 1.343 177.415 176.094 -0.035 0.000 1.051 535 V CA 1.533 63.831 62.300 -0.003 0.000 1.036 535 V CB -0.420 31.421 31.823 0.029 0.000 0.654 535 V HN 0.797 nan 8.190 nan 0.000 0.451 536 R N 0.859 121.310 120.500 -0.082 0.000 2.242 536 R HA 0.195 4.535 4.340 -0.000 0.000 0.334 536 R C -1.799 174.359 176.300 -0.236 0.000 1.071 536 R CA -1.460 54.554 56.100 -0.143 0.000 0.922 536 R CB 0.384 30.532 30.300 -0.254 0.000 1.023 536 R HN 0.258 nan 8.270 nan 0.000 0.458 537 P HA -0.219 nan 4.420 nan 0.000 0.216 537 P C 0.803 178.064 177.300 -0.064 0.000 1.150 537 P CA 1.197 64.259 63.100 -0.064 0.000 0.837 537 P CB -0.045 31.658 31.700 0.005 0.000 0.786 538 Y N -1.290 119.012 120.300 0.003 0.000 2.333 538 Y HA -0.107 4.442 4.550 -0.000 0.000 0.290 538 Y C 1.952 177.860 175.900 0.014 0.000 1.144 538 Y CA 0.719 58.822 58.100 0.005 0.000 1.228 538 Y CB -1.790 36.673 38.460 0.005 0.000 0.985 538 Y HN -0.091 nan 8.280 nan 0.000 0.542 539 I N 0.704 120.894 120.570 -0.634 0.000 2.252 539 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 539 I C 2.543 178.590 176.117 -0.117 0.000 1.102 539 I CA 1.326 62.418 61.300 -0.345 0.000 1.385 539 I CB -0.434 37.352 38.000 -0.357 0.000 1.064 539 I HN 0.220 nan 8.210 nan 0.000 0.414 540 R N 0.937 121.354 120.500 -0.139 0.000 2.080 540 R HA -0.211 4.129 4.340 -0.000 0.000 0.236 540 R C 2.200 178.466 176.300 -0.057 0.000 1.137 540 R CA 1.738 57.773 56.100 -0.108 0.000 0.943 540 R CB -0.463 29.770 30.300 -0.112 0.000 0.846 540 R HN 0.413 nan 8.270 nan 0.000 0.431 541 E N 0.405 120.590 120.200 -0.025 0.000 2.049 541 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 541 E C 2.152 178.767 176.600 0.026 0.000 1.007 541 E CA 1.505 57.910 56.400 0.008 0.000 0.809 541 E CB -0.090 29.636 29.700 0.044 0.000 0.749 541 E HN 0.271 nan 8.360 nan 0.000 0.450 542 R N 0.146 120.680 120.500 0.056 0.000 2.127 542 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 542 R C 2.362 178.696 176.300 0.057 0.000 1.134 542 R CA 1.014 57.154 56.100 0.067 0.000 0.975 542 R CB -0.219 30.140 30.300 0.098 0.000 0.865 542 R HN 0.072 nan 8.270 nan 0.000 0.447 543 V N 0.067 120.016 119.914 0.058 0.000 2.323 543 V HA -0.187 3.932 4.120 -0.000 0.000 0.244 543 V C 2.253 178.350 176.094 0.005 0.000 1.041 543 V CA 1.464 63.818 62.300 0.089 0.000 1.025 543 V CB -0.247 31.662 31.823 0.143 0.000 0.656 543 V HN 0.110 nan 8.190 nan 0.000 0.451 544 V N 0.690 120.577 119.914 -0.044 0.000 2.392 544 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 544 V C 2.296 178.358 176.094 -0.052 0.000 1.059 544 V CA 2.536 64.784 62.300 -0.088 0.000 1.051 544 V CB -0.727 31.046 31.823 -0.083 0.000 0.658 544 V HN 0.673 nan 8.190 nan 0.000 0.455 545 D N -0.860 119.541 120.400 0.001 0.000 2.144 545 D HA -0.175 4.464 4.640 -0.000 0.000 0.199 545 D C 2.256 178.630 176.300 0.123 0.000 0.984 545 D CA 0.957 54.986 54.000 0.048 0.000 0.834 545 D CB -0.017 40.825 40.800 0.070 0.000 0.955 545 D HN 0.336 nan 8.370 nan 0.000 0.465 546 Q N -0.219 119.624 119.800 0.072 0.000 2.167 546 Q HA -0.047 4.293 4.340 -0.000 0.000 0.202 546 Q C 2.425 178.453 176.000 0.046 0.000 0.970 546 Q CA 0.520 56.369 55.803 0.076 0.000 0.855 546 Q CB -0.109 28.692 28.738 0.104 0.000 0.911 546 Q HN 0.459 nan 8.270 nan 0.000 0.438 547 L N -0.041 121.150 121.223 -0.053 0.000 2.201 547 L HA -0.080 4.259 4.340 -0.000 0.000 0.212 547 L C 2.248 179.005 176.870 -0.189 0.000 1.105 547 L CA 0.818 55.551 54.840 -0.179 0.000 0.775 547 L CB -0.525 41.332 42.059 -0.337 0.000 0.913 547 L HN 0.088 nan 8.230 nan 0.000 0.440 548 A N -0.900 121.835 122.820 -0.142 0.000 2.121 548 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 548 A C 1.759 179.158 177.584 -0.309 0.000 1.154 548 A CA 1.169 53.086 52.037 -0.200 0.000 0.679 548 A CB -0.624 18.269 19.000 -0.178 0.000 0.795 548 A HN 0.420 nan 8.150 nan 0.000 0.458 549 H N -1.104 117.750 119.070 -0.361 0.000 2.512 549 H HA 0.232 4.788 4.556 -0.000 0.000 0.279 549 H C 1.678 176.716 175.328 -0.483 0.000 0.999 549 H CA 1.183 56.874 56.048 -0.595 0.000 1.283 549 H CB 0.081 29.055 29.762 -1.313 0.000 1.421 549 H HN 0.491 nan 8.280 nan 0.000 0.554 550 I N -1.010 119.446 120.570 -0.191 0.000 2.499 550 I HA 0.037 4.207 4.170 -0.000 0.000 0.243 550 I C -0.093 175.942 176.117 -0.138 0.000 1.085 550 I CA 0.700 61.960 61.300 -0.067 0.000 1.422 550 I CB 0.533 38.528 38.000 -0.010 0.000 1.165 550 I HN 0.114 nan 8.210 nan 0.000 0.440 551 D N -1.173 119.079 120.400 -0.248 0.000 2.804 551 D HA 0.214 4.853 4.640 -0.000 0.000 0.209 551 D C 0.088 176.213 176.300 -0.291 0.000 1.314 551 D CA -0.395 53.438 54.000 -0.278 0.000 0.894 551 D CB 1.227 41.749 40.800 -0.462 0.000 1.615 551 D HN -0.190 nan 8.370 nan 0.000 0.571 552 L N 2.431 123.543 121.223 -0.185 0.000 2.141 552 L HA 0.021 4.361 4.340 -0.000 0.000 0.209 552 L C 2.277 179.065 176.870 -0.137 0.000 1.094 552 L CA 1.674 56.421 54.840 -0.155 0.000 0.763 552 L CB -0.858 41.136 42.059 -0.109 0.000 0.908 552 L HN 0.626 nan 8.230 nan 0.000 0.437 553 T N -0.459 114.036 114.554 -0.098 0.000 2.777 553 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 553 T C 1.859 176.503 174.700 -0.094 0.000 1.040 553 T CA 1.434 63.522 62.100 -0.021 0.000 1.141 553 T CB -0.323 68.624 68.868 0.131 0.000 0.868 553 T HN 0.215 nan 8.240 nan 0.000 0.444 554 L N 1.734 122.742 121.223 -0.357 0.000 1.994 554 L HA 0.083 4.423 4.340 -0.000 0.000 0.208 554 L C 2.646 179.283 176.870 -0.388 0.000 1.071 554 L CA 2.083 56.538 54.840 -0.643 0.000 0.745 554 L CB -1.154 40.061 42.059 -1.407 0.000 0.892 554 L HN 0.202 nan 8.230 nan 0.000 0.431 555 A N -0.801 121.805 122.820 -0.356 0.000 1.892 555 A HA -0.292 4.027 4.320 -0.000 0.000 0.218 555 A C 2.190 179.672 177.584 -0.170 0.000 1.188 555 A CA 2.175 54.056 52.037 -0.260 0.000 0.631 555 A CB -0.743 18.127 19.000 -0.216 0.000 0.822 555 A HN 0.739 nan 8.150 nan 0.000 0.447 556 Q N -1.012 118.712 119.800 -0.126 0.000 2.230 556 Q HA 0.019 4.359 4.340 -0.000 0.000 0.202 556 Q C 2.344 178.317 176.000 -0.046 0.000 0.963 556 Q CA 0.969 56.728 55.803 -0.073 0.000 0.866 556 Q CB -0.287 28.423 28.738 -0.047 0.000 0.931 556 Q HN 0.703 nan 8.270 nan 0.000 0.452 557 A N 0.582 123.377 122.820 -0.043 0.000 1.897 557 A HA -0.086 4.233 4.320 -0.000 0.000 0.215 557 A C 2.334 179.919 177.584 0.001 0.000 1.181 557 A CA 0.978 53.021 52.037 0.010 0.000 0.620 557 A CB -0.475 18.562 19.000 0.062 0.000 0.821 557 A HN 0.170 nan 8.150 nan 0.000 0.443 558 V N 0.028 119.913 119.914 -0.048 0.000 2.270 558 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 558 V C 3.074 179.138 176.094 -0.050 0.000 1.043 558 V CA 1.868 64.137 62.300 -0.050 0.000 1.014 558 V CB -1.385 30.355 31.823 -0.137 0.000 0.645 558 V HN 0.590 nan 8.190 nan 0.000 0.447 559 A N 0.062 122.841 122.820 -0.068 0.000 1.892 559 A HA -0.342 3.978 4.320 -0.000 0.000 0.218 559 A C 2.324 179.891 177.584 -0.028 0.000 1.188 559 A CA 2.581 54.587 52.037 -0.052 0.000 0.631 559 A CB -0.617 18.349 19.000 -0.056 0.000 0.822 559 A HN 0.549 nan 8.150 nan 0.000 0.447 560 K N -0.509 119.881 120.400 -0.017 0.000 2.044 560 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 560 K C 1.636 178.241 176.600 0.008 0.000 1.049 560 K CA 1.861 58.148 56.287 -0.000 0.000 0.927 560 K CB -0.215 32.291 32.500 0.010 0.000 0.713 560 K HN 0.460 nan 8.250 nan 0.000 0.443 561 N N 0.473 119.182 118.700 0.014 0.000 2.381 561 N HA -0.099 4.641 4.740 -0.000 0.000 0.182 561 N C 1.324 176.838 175.510 0.007 0.000 1.025 561 N CA 0.880 53.945 53.050 0.025 0.000 0.888 561 N CB 0.058 38.573 38.487 0.046 0.000 0.965 561 N HN 0.268 nan 8.380 nan 0.000 0.438 562 L N -0.775 120.440 121.223 -0.013 0.000 2.607 562 L HA 0.226 4.566 4.340 -0.000 0.000 0.228 562 L C 0.825 177.683 176.870 -0.020 0.000 1.123 562 L CA -0.005 54.818 54.840 -0.028 0.000 0.890 562 L CB -0.114 41.915 42.059 -0.050 0.000 1.103 562 L HN 0.126 nan 8.230 nan 0.000 0.468 563 G N 1.536 110.329 108.800 -0.011 0.000 2.225 563 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 563 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 563 G C -0.045 174.848 174.900 -0.010 0.000 1.060 563 G CA -0.010 45.086 45.100 -0.006 0.000 0.833 563 G HN 0.298 nan 8.290 nan 0.000 0.498 564 I N -0.606 119.954 120.570 -0.017 0.000 2.562 564 I HA 0.528 4.698 4.170 -0.000 0.000 0.301 564 I C 0.042 176.147 176.117 -0.019 0.000 1.003 564 I CA -0.996 60.292 61.300 -0.019 0.000 1.127 564 I CB 1.949 39.932 38.000 -0.028 0.000 1.304 564 I HN 0.064 nan 8.210 nan 0.000 0.446 565 E N 5.527 125.717 120.200 -0.017 0.000 2.113 565 E HA 0.401 4.751 4.350 -0.000 0.000 0.273 565 E C -0.950 175.637 176.600 -0.022 0.000 0.924 565 E CA -0.471 55.918 56.400 -0.017 0.000 0.764 565 E CB 0.920 30.613 29.700 -0.012 0.000 1.104 565 E HN 0.360 nan 8.360 nan 0.000 0.406 566 L N 3.448 124.653 121.223 -0.031 0.000 2.485 566 L HA 0.170 4.510 4.340 -0.000 0.000 0.275 566 L C 1.012 177.864 176.870 -0.030 0.000 1.207 566 L CA -0.116 54.702 54.840 -0.037 0.000 0.855 566 L CB 0.238 42.265 42.059 -0.053 0.000 1.114 566 L HN 0.654 nan 8.230 nan 0.000 0.485 567 T N -2.236 112.301 114.554 -0.028 0.000 2.788 567 T HA 0.078 4.427 4.350 -0.000 0.000 0.280 567 T C 0.751 175.433 174.700 -0.031 0.000 0.984 567 T CA -0.715 61.370 62.100 -0.024 0.000 0.972 567 T CB 1.135 69.992 68.868 -0.018 0.000 1.039 567 T HN 0.503 nan 8.240 nan 0.000 0.530 568 D N 0.463 120.848 120.400 -0.026 0.000 2.104 568 D HA -0.076 4.564 4.640 -0.000 0.000 0.194 568 D C 1.723 178.000 176.300 -0.037 0.000 0.994 568 D CA 1.367 55.350 54.000 -0.029 0.000 0.830 568 D CB -0.446 40.341 40.800 -0.021 0.000 0.959 568 D HN 0.644 nan 8.370 nan 0.000 0.452 569 D N 0.158 120.538 120.400 -0.034 0.000 2.106 569 D HA -0.169 4.471 4.640 -0.000 0.000 0.191 569 D C 2.093 178.353 176.300 -0.068 0.000 0.997 569 D CA 0.994 54.970 54.000 -0.041 0.000 0.834 569 D CB -0.251 40.533 40.800 -0.026 0.000 0.956 569 D HN 0.297 nan 8.370 nan 0.000 0.448 570 Q N -0.474 119.285 119.800 -0.068 0.000 2.084 570 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 570 Q C 2.307 178.237 176.000 -0.117 0.000 0.978 570 Q CA 0.714 56.458 55.803 -0.100 0.000 0.844 570 Q CB -0.105 28.588 28.738 -0.074 0.000 0.898 570 Q HN 0.326 nan 8.270 nan 0.000 0.426 571 L N 0.629 121.802 121.223 -0.084 0.000 2.362 571 L HA -0.120 4.219 4.340 -0.000 0.000 0.219 571 L C 1.157 177.978 176.870 -0.081 0.000 1.134 571 L CA 0.440 55.233 54.840 -0.078 0.000 0.807 571 L CB -0.086 41.940 42.059 -0.054 0.000 0.927 571 L HN 0.203 nan 8.230 nan 0.000 0.447 572 N N -0.069 118.580 118.700 -0.085 0.000 2.238 572 N HA 0.248 4.988 4.740 -0.000 0.000 0.222 572 N C 0.214 175.659 175.510 -0.108 0.000 1.133 572 N CA 0.023 53.026 53.050 -0.079 0.000 0.854 572 N CB 0.630 39.083 38.487 -0.056 0.000 1.041 572 N HN 0.239 nan 8.380 nan 0.000 0.510 573 I N 1.754 122.224 120.570 -0.167 0.000 2.533 573 I HA -0.017 4.153 4.170 -0.000 0.000 0.284 573 I C 0.559 176.570 176.117 -0.177 0.000 1.109 573 I CA 0.182 61.342 61.300 -0.234 0.000 1.412 573 I CB 0.305 38.027 38.000 -0.463 0.000 1.396 573 I HN -0.175 nan 8.210 nan 0.000 0.543 574 T N 7.982 122.462 114.554 -0.122 0.000 2.916 574 T HA 0.140 4.489 4.350 -0.000 0.000 0.303 574 T C -2.003 172.647 174.700 -0.082 0.000 1.025 574 T CA -0.759 61.295 62.100 -0.075 0.000 1.142 574 T CB 0.068 68.915 68.868 -0.034 0.000 0.947 574 T HN 0.433 nan 8.240 nan 0.000 0.544 575 P HA 0.248 nan 4.420 nan 0.000 0.272 575 P C -2.507 174.800 177.300 0.011 0.000 1.223 575 P CA -1.543 61.535 63.100 -0.037 0.000 0.784 575 P CB -0.474 31.215 31.700 -0.018 0.000 0.923 576 P HA 0.261 nan 4.420 nan 0.000 0.274 576 P C -2.458 174.891 177.300 0.082 0.000 1.237 576 P CA -1.457 61.706 63.100 0.106 0.000 0.793 576 P CB -1.061 30.751 31.700 0.188 0.000 0.977 577 P HA 0.126 nan 4.420 nan 0.000 0.272 577 P C -0.168 177.175 177.300 0.072 0.000 1.240 577 P CA 0.110 63.253 63.100 0.071 0.000 0.791 577 P CB 0.223 31.967 31.700 0.075 0.000 0.978 578 D N -0.463 119.973 120.400 0.060 0.000 2.363 578 D HA 0.079 4.719 4.640 -0.000 0.000 0.240 578 D C -0.178 176.164 176.300 0.070 0.000 1.236 578 D CA 0.110 54.142 54.000 0.053 0.000 0.927 578 D CB 0.326 41.154 40.800 0.046 0.000 1.150 578 D HN -0.049 nan 8.370 nan 0.000 0.458 579 V N 2.161 122.107 119.914 0.054 0.000 2.304 579 V HA 0.081 4.201 4.120 -0.000 0.000 0.269 579 V C 0.098 176.282 176.094 0.150 0.000 1.036 579 V CA -0.456 61.902 62.300 0.096 0.000 0.840 579 V CB -0.282 31.503 31.823 -0.063 0.000 1.036 579 V HN 0.591 nan 8.190 nan 0.000 0.466 580 N N 4.330 123.134 118.700 0.174 0.000 2.716 580 N HA -0.231 4.509 4.740 -0.000 0.000 0.250 580 N C 1.193 176.760 175.510 0.095 0.000 1.033 580 N CA 1.007 54.141 53.050 0.140 0.000 0.727 580 N CB -0.876 37.733 38.487 0.202 0.000 0.950 580 N HN 1.259 nan 8.380 nan 0.000 0.541 581 G N -1.759 107.084 108.800 0.072 0.000 2.184 581 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.264 581 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.264 581 G C 0.128 175.057 174.900 0.048 0.000 0.975 581 G CA 0.357 45.488 45.100 0.052 0.000 0.642 581 G HN 0.415 nan 8.290 nan 0.000 0.536 582 L N 0.513 121.769 121.223 0.054 0.000 2.361 582 L HA 0.300 4.639 4.340 -0.000 0.000 0.278 582 L C 1.624 178.507 176.870 0.022 0.000 1.113 582 L CA -0.235 54.628 54.840 0.038 0.000 0.849 582 L CB 0.944 43.027 42.059 0.040 0.000 1.155 582 L HN 0.078 nan 8.230 nan 0.000 0.452 583 K N 3.221 123.631 120.400 0.016 0.000 2.379 583 K HA 0.072 4.391 4.320 -0.000 0.000 0.194 583 K C -0.162 176.434 176.600 -0.007 0.000 1.031 583 K CA 0.354 56.646 56.287 0.008 0.000 1.037 583 K CB 0.375 32.879 32.500 0.007 0.000 0.824 583 K HN 0.585 nan 8.250 nan 0.000 0.516 584 K N -0.398 119.994 120.400 -0.014 0.000 2.703 584 K HA 0.200 4.520 4.320 -0.000 0.000 0.285 584 K C -2.164 174.422 176.600 -0.023 0.000 1.014 584 K CA -0.909 55.355 56.287 -0.038 0.000 0.858 584 K CB 1.251 33.713 32.500 -0.064 0.000 1.467 584 K HN -0.259 nan 8.250 nan 0.000 0.383 585 D N 2.099 122.481 120.400 -0.030 0.000 2.375 585 D HA 0.254 4.894 4.640 -0.000 0.000 0.241 585 D C -2.000 174.292 176.300 -0.013 0.000 1.361 585 D CA -1.986 52.015 54.000 0.003 0.000 0.995 585 D CB 2.003 42.826 40.800 0.038 0.000 1.312 585 D HN 0.323 nan 8.370 nan 0.000 0.576 586 P HA -0.108 nan 4.420 nan 0.000 0.225 586 P C 1.170 178.476 177.300 0.009 0.000 1.148 586 P CA 0.677 63.760 63.100 -0.028 0.000 0.779 586 P CB 0.095 31.787 31.700 -0.014 0.000 0.780 587 S N -1.053 114.685 115.700 0.063 0.000 2.555 587 S HA 0.003 4.473 4.470 -0.000 0.000 0.230 587 S C 1.770 176.472 174.600 0.170 0.000 0.978 587 S CA 0.394 58.669 58.200 0.124 0.000 0.934 587 S CB -1.296 62.001 63.200 0.161 0.000 0.766 587 S HN 0.126 nan 8.310 nan 0.000 0.533 588 L N 1.231 122.521 121.223 0.111 0.000 2.418 588 L HA 0.205 4.545 4.340 -0.000 0.000 0.218 588 L C 1.444 178.253 176.870 -0.101 0.000 1.125 588 L CA 0.217 55.129 54.840 0.119 0.000 0.835 588 L CB -0.230 41.871 42.059 0.071 0.000 0.953 588 L HN 0.368 nan 8.230 nan 0.000 0.454 589 S N -0.445 115.163 115.700 -0.154 0.000 2.554 589 S HA 0.310 4.780 4.470 -0.000 0.000 0.278 589 S C 1.079 175.571 174.600 -0.180 0.000 1.242 589 S CA -0.665 57.379 58.200 -0.261 0.000 1.051 589 S CB 1.447 64.484 63.200 -0.272 0.000 0.986 589 S HN 0.167 nan 8.310 nan 0.000 0.502 590 L N 3.113 124.148 121.223 -0.312 0.000 2.083 590 L HA -0.030 4.309 4.340 -0.000 0.000 0.209 590 L C 0.884 177.483 176.870 -0.452 0.000 1.083 590 L CA 1.288 55.844 54.840 -0.472 0.000 0.752 590 L CB -0.367 41.077 42.059 -1.025 0.000 0.899 590 L HN 0.759 nan 8.230 nan 0.000 0.433 591 Y N -2.243 118.081 120.300 0.039 0.000 2.527 591 Y HA 0.375 4.924 4.550 -0.000 0.000 0.247 591 Y C 2.027 177.970 175.900 0.073 0.000 1.138 591 Y CA -0.275 57.895 58.100 0.117 0.000 1.228 591 Y CB -0.507 38.074 38.460 0.202 0.000 1.252 591 Y HN -0.047 nan 8.280 nan 0.000 0.531 592 A N 0.599 123.475 122.820 0.093 0.000 1.877 592 A HA -0.066 4.253 4.320 -0.000 0.000 0.216 592 A C 0.951 178.587 177.584 0.086 0.000 1.186 592 A CA 1.162 53.225 52.037 0.043 0.000 0.620 592 A CB -0.491 18.479 19.000 -0.049 0.000 0.822 592 A HN 0.134 nan 8.150 nan 0.000 0.443 593 I N 1.589 122.210 120.570 0.086 0.000 2.304 593 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 593 I C -2.431 173.767 176.117 0.136 0.000 1.018 593 I CA -2.843 58.513 61.300 0.094 0.000 1.260 593 I CB 0.451 38.498 38.000 0.078 0.000 1.390 593 I HN 0.102 nan 8.210 nan 0.000 0.475 594 P HA 0.123 nan 4.420 nan 0.000 0.267 594 P C -0.236 177.148 177.300 0.140 0.000 1.205 594 P CA 0.145 63.346 63.100 0.167 0.000 0.765 594 P CB 0.749 32.531 31.700 0.136 0.000 0.828 595 D N 1.002 121.496 120.400 0.156 0.000 2.651 595 D HA 0.103 4.742 4.640 -0.000 0.000 0.280 595 D C 0.637 177.002 176.300 0.108 0.000 1.496 595 D CA -0.470 53.602 54.000 0.119 0.000 0.792 595 D CB -0.535 40.334 40.800 0.114 0.000 1.144 595 D HN 0.315 nan 8.370 nan 0.000 0.470 596 G N 0.444 109.315 108.800 0.119 0.000 2.321 596 G HA2 0.285 4.245 3.960 -0.000 0.000 0.237 596 G HA3 0.285 4.245 3.960 -0.000 0.000 0.237 596 G C -0.533 174.402 174.900 0.058 0.000 1.282 596 G CA 0.176 45.334 45.100 0.096 0.000 0.886 596 G HN 0.222 nan 8.290 nan 0.000 0.528 597 D N 1.129 121.554 120.400 0.042 0.000 2.478 597 D HA 0.143 4.783 4.640 -0.000 0.000 0.240 597 D C 0.952 177.257 176.300 0.008 0.000 1.364 597 D CA -0.455 53.557 54.000 0.019 0.000 0.987 597 D CB 1.425 42.232 40.800 0.011 0.000 1.328 597 D HN 0.323 nan 8.370 nan 0.000 0.584 598 V N 1.902 121.815 119.914 -0.001 0.000 3.306 598 V HA 0.188 4.308 4.120 -0.000 0.000 0.264 598 V C 1.052 177.122 176.094 -0.040 0.000 1.149 598 V CA 0.331 62.624 62.300 -0.011 0.000 1.143 598 V CB -0.726 31.088 31.823 -0.016 0.000 0.767 598 V HN 0.391 nan 8.190 nan 0.000 0.476 599 K N 1.301 121.671 120.400 -0.050 0.000 2.451 599 K HA 0.392 4.711 4.320 -0.000 0.000 0.280 599 K C 1.187 177.743 176.600 -0.074 0.000 1.020 599 K CA 0.975 57.212 56.287 -0.084 0.000 1.008 599 K CB 0.156 32.612 32.500 -0.074 0.000 0.917 599 K HN 0.736 nan 8.250 nan 0.000 0.478 600 G N 2.931 111.655 108.800 -0.126 0.000 2.176 600 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.253 600 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.253 600 G C 0.060 174.979 174.900 0.030 0.000 0.979 600 G CA -0.119 44.970 45.100 -0.018 0.000 0.641 600 G HN 0.559 nan 8.290 nan 0.000 0.530 601 R N -0.518 119.969 120.500 -0.021 0.000 2.574 601 R HA 0.790 5.130 4.340 -0.000 0.000 0.266 601 R C 0.064 176.400 176.300 0.060 0.000 1.157 601 R CA -0.230 55.895 56.100 0.041 0.000 1.187 601 R CB 0.933 31.256 30.300 0.037 0.000 1.179 601 R HN 0.718 nan 8.270 nan 0.000 0.600 602 V N 0.066 120.039 119.914 0.097 0.000 2.888 602 V HA 0.440 4.560 4.120 -0.000 0.000 0.309 602 V C -1.161 174.993 176.094 0.101 0.000 1.114 602 V CA -0.719 61.655 62.300 0.122 0.000 0.940 602 V CB 2.461 34.387 31.823 0.172 0.000 1.021 602 V HN 0.344 nan 8.190 nan 0.000 0.426 603 V N 5.398 125.366 119.914 0.090 0.000 2.581 603 V HA 0.837 4.956 4.120 -0.000 0.000 0.303 603 V C 0.551 176.702 176.094 0.095 0.000 1.041 603 V CA -0.091 62.256 62.300 0.078 0.000 0.907 603 V CB 1.781 33.635 31.823 0.052 0.000 0.994 603 V HN 1.216 nan 8.190 nan 0.000 0.442 604 A N 5.478 128.363 122.820 0.108 0.000 2.301 604 A HA 0.779 5.099 4.320 -0.000 0.000 0.298 604 A C -0.517 177.081 177.584 0.023 0.000 1.185 604 A CA -0.274 51.819 52.037 0.092 0.000 0.830 604 A CB 0.028 19.126 19.000 0.164 0.000 1.112 604 A HN 0.751 nan 8.150 nan 0.000 0.508 605 I N 3.616 124.195 120.570 0.015 0.000 2.354 605 I HA 0.200 4.370 4.170 -0.000 0.000 0.286 605 I C -0.555 175.568 176.117 0.010 0.000 1.007 605 I CA -0.190 61.118 61.300 0.013 0.000 1.167 605 I CB 1.382 39.403 38.000 0.036 0.000 1.320 605 I HN 0.493 nan 8.210 nan 0.000 0.458 606 L N 7.298 128.510 121.223 -0.018 0.000 2.363 606 L HA 0.376 4.715 4.340 -0.000 0.000 0.286 606 L C 0.055 177.023 176.870 0.164 0.000 1.106 606 L CA -0.285 54.597 54.840 0.069 0.000 0.859 606 L CB -0.139 41.821 42.059 -0.164 0.000 1.223 606 L HN 0.456 nan 8.230 nan 0.000 0.446 607 L N 3.518 124.886 121.223 0.243 0.000 2.466 607 L HA 0.263 4.603 4.340 -0.000 0.000 0.257 607 L C 0.281 177.358 176.870 0.345 0.000 1.189 607 L CA -0.311 54.644 54.840 0.191 0.000 0.813 607 L CB 0.731 42.821 42.059 0.051 0.000 1.118 607 L HN 0.703 nan 8.230 nan 0.000 0.471 608 N N -1.930 116.891 118.700 0.203 0.000 2.966 608 N HA 0.263 5.003 4.740 -0.000 0.000 0.314 608 N C -0.599 174.943 175.510 0.054 0.000 1.397 608 N CA -0.781 52.444 53.050 0.293 0.000 0.776 608 N CB 0.537 39.151 38.487 0.213 0.000 1.576 608 N HN 0.517 nan 8.380 nan 0.000 0.592 609 D N -2.394 118.049 120.400 0.072 0.000 2.319 609 D HA 0.081 4.721 4.640 -0.000 0.000 0.230 609 D C -0.250 176.020 176.300 -0.050 0.000 1.094 609 D CA 0.351 54.306 54.000 -0.074 0.000 0.856 609 D CB -0.051 40.762 40.800 0.021 0.000 0.915 609 D HN 0.658 nan 8.370 nan 0.000 0.517 610 E N 0.218 120.406 120.200 -0.021 0.000 3.990 610 E HA 0.177 4.527 4.350 -0.000 0.000 0.246 610 E C -1.193 175.399 176.600 -0.014 0.000 1.179 610 E CA -0.414 55.975 56.400 -0.019 0.000 1.287 610 E CB 0.302 30.000 29.700 -0.004 0.000 1.241 610 E HN -0.079 nan 8.360 nan 0.000 0.406 611 V N 1.778 121.677 119.914 -0.026 0.000 2.720 611 V HA -0.024 4.096 4.120 -0.000 0.000 0.307 611 V C 0.887 176.970 176.094 -0.019 0.000 1.071 611 V CA 0.621 62.912 62.300 -0.016 0.000 1.199 611 V CB 0.604 32.413 31.823 -0.024 0.000 0.900 611 V HN 0.416 nan 8.190 nan 0.000 0.494 612 R N 3.557 124.047 120.500 -0.017 0.000 2.325 612 R HA 0.110 4.450 4.340 -0.000 0.000 0.323 612 R C 1.615 177.897 176.300 -0.029 0.000 1.177 612 R CA 0.466 56.551 56.100 -0.025 0.000 1.018 612 R CB 0.300 30.581 30.300 -0.031 0.000 1.070 612 R HN 0.990 nan 8.270 nan 0.000 0.495 613 S N 2.963 118.647 115.700 -0.027 0.000 2.419 613 S HA -0.227 4.243 4.470 -0.000 0.000 0.235 613 S C 1.877 176.460 174.600 -0.028 0.000 1.019 613 S CA 1.025 59.210 58.200 -0.025 0.000 0.982 613 S CB -0.059 63.127 63.200 -0.022 0.000 0.789 613 S HN 0.671 nan 8.310 nan 0.000 0.490 614 A N 1.977 124.777 122.820 -0.033 0.000 1.930 614 A HA -0.050 4.270 4.320 -0.000 0.000 0.217 614 A C 1.986 179.539 177.584 -0.052 0.000 1.175 614 A CA 1.494 53.508 52.037 -0.038 0.000 0.627 614 A CB -0.790 18.186 19.000 -0.040 0.000 0.815 614 A HN 0.472 nan 8.150 nan 0.000 0.443 615 D N -0.392 119.968 120.400 -0.067 0.000 2.097 615 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 615 D C 1.875 178.139 176.300 -0.059 0.000 0.989 615 D CA 1.332 55.274 54.000 -0.097 0.000 0.827 615 D CB -0.388 40.343 40.800 -0.114 0.000 0.966 615 D HN 0.327 nan 8.370 nan 0.000 0.456 616 L N 0.332 121.535 121.223 -0.034 0.000 2.046 616 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 616 L C 2.122 178.988 176.870 -0.006 0.000 1.077 616 L CA 1.218 56.051 54.840 -0.012 0.000 0.747 616 L CB -0.614 41.440 42.059 -0.009 0.000 0.896 616 L HN -0.002 nan 8.230 nan 0.000 0.432 617 L N -0.032 121.183 121.223 -0.013 0.000 1.990 617 L HA -0.225 4.115 4.340 -0.000 0.000 0.213 617 L C 2.587 179.456 176.870 -0.002 0.000 1.072 617 L CA 2.306 57.141 54.840 -0.008 0.000 0.755 617 L CB -1.147 40.903 42.059 -0.014 0.000 0.889 617 L HN 0.354 nan 8.230 nan 0.000 0.432 618 A N -0.739 122.075 122.820 -0.010 0.000 1.902 618 A HA -0.198 4.121 4.320 -0.000 0.000 0.217 618 A C 2.270 179.869 177.584 0.025 0.000 1.181 618 A CA 2.054 54.091 52.037 0.000 0.000 0.623 618 A CB -0.863 18.125 19.000 -0.021 0.000 0.818 618 A HN 0.492 nan 8.150 nan 0.000 0.443 619 I N -0.242 120.346 120.570 0.030 0.000 2.099 619 I HA -0.298 3.871 4.170 -0.000 0.000 0.239 619 I C 2.456 178.602 176.117 0.047 0.000 1.066 619 I CA 1.441 62.779 61.300 0.065 0.000 1.324 619 I CB -0.390 37.651 38.000 0.069 0.000 1.037 619 I HN 0.303 nan 8.210 nan 0.000 0.401 620 L N 0.347 121.589 121.223 0.032 0.000 2.046 620 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 620 L C 2.674 179.557 176.870 0.021 0.000 1.077 620 L CA 1.411 56.267 54.840 0.027 0.000 0.747 620 L CB -0.726 41.346 42.059 0.023 0.000 0.896 620 L HN 0.284 nan 8.230 nan 0.000 0.432 621 K N 0.538 120.948 120.400 0.018 0.000 2.032 621 K HA -0.217 4.103 4.320 -0.000 0.000 0.209 621 K C 2.084 178.692 176.600 0.013 0.000 1.048 621 K CA 1.662 57.957 56.287 0.013 0.000 0.927 621 K CB -0.049 32.458 32.500 0.011 0.000 0.712 621 K HN 0.287 nan 8.250 nan 0.000 0.441 622 A N 1.273 124.106 122.820 0.021 0.000 1.929 622 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 622 A C 2.160 179.749 177.584 0.008 0.000 1.176 622 A CA 0.866 52.915 52.037 0.020 0.000 0.628 622 A CB -0.391 18.633 19.000 0.039 0.000 0.816 622 A HN 0.290 nan 8.150 nan 0.000 0.444 623 L N -0.664 120.565 121.223 0.009 0.000 2.056 623 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 623 L C 2.658 179.509 176.870 -0.031 0.000 1.078 623 L CA 1.936 56.771 54.840 -0.009 0.000 0.749 623 L CB -0.423 41.640 42.059 0.006 0.000 0.901 623 L HN 0.502 nan 8.230 nan 0.000 0.433 624 K N 0.406 120.798 120.400 -0.014 0.000 2.097 624 K HA -0.151 4.169 4.320 -0.000 0.000 0.205 624 K C 2.020 178.605 176.600 -0.024 0.000 1.050 624 K CA 1.235 57.512 56.287 -0.017 0.000 0.938 624 K CB 0.003 32.505 32.500 0.003 0.000 0.718 624 K HN 0.249 nan 8.250 nan 0.000 0.442 625 A N 0.825 123.635 122.820 -0.016 0.000 2.067 625 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 625 A C 1.501 179.070 177.584 -0.026 0.000 1.158 625 A CA 1.145 53.173 52.037 -0.015 0.000 0.661 625 A CB -0.039 18.957 19.000 -0.006 0.000 0.801 625 A HN 0.118 nan 8.150 nan 0.000 0.452 626 K N -1.398 118.980 120.400 -0.037 0.000 2.358 626 K HA 0.226 4.546 4.320 -0.000 0.000 0.197 626 K C 1.012 177.564 176.600 -0.081 0.000 1.025 626 K CA 0.546 56.805 56.287 -0.047 0.000 1.104 626 K CB -0.038 32.438 32.500 -0.039 0.000 0.855 626 K HN 0.712 nan 8.250 nan 0.000 0.531 627 G N 1.144 109.879 108.800 -0.108 0.000 2.143 627 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 627 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 627 G C 0.010 174.696 174.900 -0.357 0.000 0.991 627 G CA 0.242 45.231 45.100 -0.186 0.000 0.689 627 G HN 0.106 nan 8.290 nan 0.000 0.522 628 V N 2.953 122.701 119.914 -0.278 0.000 2.432 628 V HA 0.427 4.547 4.120 -0.000 0.000 0.275 628 V C 0.769 176.680 176.094 -0.306 0.000 1.043 628 V CA -1.038 61.094 62.300 -0.279 0.000 0.925 628 V CB 1.047 32.803 31.823 -0.111 0.000 0.985 628 V HN 0.357 nan 8.190 nan 0.000 0.466 629 H N 2.724 121.804 119.070 0.017 0.000 2.505 629 H HA 0.732 5.288 4.556 -0.000 0.000 0.355 629 H C 0.171 175.518 175.328 0.032 0.000 1.179 629 H CA -0.185 55.876 56.048 0.022 0.000 1.343 629 H CB 1.681 31.456 29.762 0.022 0.000 1.501 629 H HN 0.745 nan 8.280 nan 0.000 0.569 630 A N 1.458 124.379 122.820 0.167 0.000 2.374 630 A HA 0.528 4.848 4.320 -0.000 0.000 0.317 630 A C -0.508 177.134 177.584 0.097 0.000 1.094 630 A CA -0.916 51.186 52.037 0.107 0.000 0.765 630 A CB 1.233 20.278 19.000 0.074 0.000 1.268 630 A HN 0.759 nan 8.150 nan 0.000 0.438 631 K N 2.622 123.074 120.400 0.086 0.000 2.535 631 K HA 0.611 4.930 4.320 -0.000 0.000 0.253 631 K C -1.633 175.001 176.600 0.057 0.000 0.953 631 K CA -0.421 55.911 56.287 0.074 0.000 0.863 631 K CB 0.973 33.529 32.500 0.093 0.000 1.111 631 K HN 0.541 nan 8.250 nan 0.000 0.431 632 L N 5.375 126.622 121.223 0.040 0.000 2.315 632 L HA 0.344 4.684 4.340 -0.000 0.000 0.283 632 L C -0.372 176.512 176.870 0.023 0.000 1.089 632 L CA -0.605 54.253 54.840 0.029 0.000 0.833 632 L CB 0.098 42.164 42.059 0.012 0.000 1.170 632 L HN 0.535 nan 8.230 nan 0.000 0.442 633 L N 3.825 125.068 121.223 0.034 0.000 2.342 633 L HA 0.613 4.953 4.340 -0.000 0.000 0.271 633 L C -0.883 175.961 176.870 -0.043 0.000 1.008 633 L CA -0.806 54.027 54.840 -0.012 0.000 0.818 633 L CB 2.082 44.155 42.059 0.023 0.000 1.296 633 L HN 0.415 nan 8.230 nan 0.000 0.427 634 Y N -0.472 119.465 120.300 -0.605 0.000 2.744 634 Y HA 0.182 4.732 4.550 -0.000 0.000 0.330 634 Y C 0.672 175.846 175.900 -1.211 0.000 1.263 634 Y CA -0.894 56.741 58.100 -0.774 0.000 1.065 634 Y CB 1.770 40.057 38.460 -0.289 0.000 1.306 634 Y HN 0.544 nan 8.280 nan 0.000 0.459 635 S N 0.909 115.673 115.700 -1.560 0.000 2.650 635 S HA 0.250 4.720 4.470 -0.000 0.000 0.219 635 S C -0.091 174.244 174.600 -0.442 0.000 0.960 635 S CA 0.222 57.900 58.200 -0.869 0.000 0.925 635 S CB -0.538 62.338 63.200 -0.541 0.000 0.775 635 S HN 0.581 nan 8.310 nan 0.000 0.525 636 R N -1.350 118.995 120.500 -0.259 0.000 2.716 636 R HA 0.615 4.955 4.340 -0.000 0.000 0.271 636 R C -0.945 175.367 176.300 0.019 0.000 1.028 636 R CA -1.068 54.998 56.100 -0.057 0.000 0.883 636 R CB 0.499 30.811 30.300 0.020 0.000 1.250 636 R HN -0.088 nan 8.270 nan 0.000 0.465 637 M N 0.273 119.878 119.600 0.008 0.000 2.154 637 M HA 0.535 5.015 4.480 -0.000 0.000 0.251 637 M C 1.097 177.409 176.300 0.019 0.000 1.200 637 M CA 0.926 56.231 55.300 0.008 0.000 0.967 637 M CB 0.554 33.151 32.600 -0.005 0.000 1.362 637 M HN 1.042 nan 8.290 nan 0.000 0.522 638 G N 0.849 109.651 108.800 0.004 0.000 2.754 638 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.241 638 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.241 638 G C -0.708 174.178 174.900 -0.022 0.000 1.281 638 G CA -0.281 44.816 45.100 -0.004 0.000 0.971 638 G HN 0.622 nan 8.290 nan 0.000 0.569 639 E N -1.033 119.144 120.200 -0.039 0.000 2.408 639 E HA 0.593 4.943 4.350 -0.000 0.000 0.275 639 E C -0.588 175.933 176.600 -0.132 0.000 0.935 639 E CA -0.459 55.896 56.400 -0.074 0.000 0.775 639 E CB 3.022 32.690 29.700 -0.053 0.000 1.277 639 E HN 1.252 nan 8.360 nan 0.000 0.455 640 V N -1.696 118.112 119.914 -0.177 0.000 2.962 640 V HA 0.732 4.852 4.120 -0.000 0.000 0.313 640 V C -0.559 175.448 176.094 -0.145 0.000 1.099 640 V CA -0.741 61.416 62.300 -0.238 0.000 0.971 640 V CB 1.918 33.469 31.823 -0.452 0.000 1.028 640 V HN 0.651 nan 8.190 nan 0.000 0.430 641 T N 2.668 117.152 114.554 -0.116 0.000 2.779 641 T HA 0.787 5.137 4.350 -0.000 0.000 0.280 641 T C 0.432 175.090 174.700 -0.069 0.000 0.987 641 T CA 0.248 62.303 62.100 -0.075 0.000 0.966 641 T CB 1.400 70.236 68.868 -0.053 0.000 0.933 641 T HN 1.356 nan 8.240 nan 0.000 0.442 642 A N 2.432 125.218 122.820 -0.057 0.000 2.262 642 A HA 0.324 4.644 4.320 -0.000 0.000 0.273 642 A C 1.524 179.088 177.584 -0.034 0.000 1.202 642 A CA -0.151 51.859 52.037 -0.045 0.000 0.811 642 A CB -0.073 18.904 19.000 -0.037 0.000 1.159 642 A HN 0.895 nan 8.150 nan 0.000 0.505 643 D N -0.748 119.636 120.400 -0.027 0.000 2.264 643 D HA -0.136 4.503 4.640 -0.000 0.000 0.208 643 D C 0.526 176.814 176.300 -0.020 0.000 0.966 643 D CA 1.339 55.326 54.000 -0.021 0.000 0.864 643 D CB -0.278 40.511 40.800 -0.019 0.000 0.933 643 D HN 0.564 nan 8.370 nan 0.000 0.499 644 D N -1.255 119.133 120.400 -0.020 0.000 2.358 644 D HA 0.215 4.855 4.640 -0.000 0.000 0.224 644 D C 1.602 177.892 176.300 -0.018 0.000 1.123 644 D CA 0.178 54.167 54.000 -0.018 0.000 0.833 644 D CB -0.133 40.657 40.800 -0.017 0.000 0.946 644 D HN 0.311 nan 8.370 nan 0.000 0.505 645 G N -0.119 108.669 108.800 -0.021 0.000 2.179 645 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.260 645 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.260 645 G C 0.417 175.304 174.900 -0.023 0.000 0.977 645 G CA 0.316 45.403 45.100 -0.021 0.000 0.641 645 G HN 0.442 nan 8.290 nan 0.000 0.533 646 T N 1.202 115.741 114.554 -0.024 0.000 2.853 646 T HA 0.408 4.758 4.350 -0.000 0.000 0.298 646 T C 0.645 175.326 174.700 -0.033 0.000 0.978 646 T CA 0.188 62.274 62.100 -0.024 0.000 1.152 646 T CB 1.972 70.826 68.868 -0.023 0.000 0.914 646 T HN 0.500 nan 8.240 nan 0.000 0.539 647 V N 5.975 125.871 119.914 -0.030 0.000 2.385 647 V HA 0.288 4.407 4.120 -0.000 0.000 0.269 647 V C 0.195 176.266 176.094 -0.039 0.000 1.043 647 V CA -0.593 61.685 62.300 -0.038 0.000 0.906 647 V CB 0.568 32.372 31.823 -0.031 0.000 0.995 647 V HN 0.699 nan 8.190 nan 0.000 0.467 648 L N 8.522 129.712 121.223 -0.054 0.000 2.264 648 L HA 0.418 4.758 4.340 -0.000 0.000 0.287 648 L C -2.123 174.713 176.870 -0.057 0.000 1.039 648 L CA -1.696 53.113 54.840 -0.052 0.000 0.829 648 L CB 1.577 43.597 42.059 -0.065 0.000 1.211 648 L HN 0.422 nan 8.230 nan 0.000 0.427 649 P HA 0.113 nan 4.420 nan 0.000 0.271 649 P C -0.453 176.831 177.300 -0.027 0.000 1.216 649 P CA 0.080 63.163 63.100 -0.029 0.000 0.771 649 P CB 1.027 32.718 31.700 -0.015 0.000 0.864 650 I N 2.285 122.840 120.570 -0.025 0.000 2.342 650 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 650 I C 1.669 177.783 176.117 -0.005 0.000 1.010 650 I CA -0.514 60.776 61.300 -0.016 0.000 1.308 650 I CB 1.392 39.386 38.000 -0.009 0.000 1.400 650 I HN 0.352 nan 8.210 nan 0.000 0.488 651 A N 5.349 128.170 122.820 0.003 0.000 1.930 651 A HA 0.422 4.742 4.320 -0.000 0.000 0.217 651 A C 1.035 178.626 177.584 0.010 0.000 1.175 651 A CA 1.504 53.548 52.037 0.012 0.000 0.627 651 A CB -0.049 18.966 19.000 0.027 0.000 0.815 651 A HN 0.872 nan 8.150 nan 0.000 0.443 652 A N -2.632 120.189 122.820 0.000 0.000 2.544 652 A HA 0.557 4.876 4.320 -0.000 0.000 0.291 652 A C -0.085 177.467 177.584 -0.053 0.000 1.055 652 A CA 0.080 52.114 52.037 -0.003 0.000 0.651 652 A CB -0.347 18.674 19.000 0.034 0.000 1.296 652 A HN 0.871 nan 8.150 nan 0.000 0.431 653 T N -1.710 112.803 114.554 -0.068 0.000 2.881 653 T HA 0.612 4.962 4.350 -0.000 0.000 0.278 653 T C 1.018 175.665 174.700 -0.088 0.000 0.982 653 T CA 0.026 62.009 62.100 -0.195 0.000 0.989 653 T CB 0.207 68.983 68.868 -0.153 0.000 1.058 653 T HN 0.504 nan 8.240 nan 0.000 0.529 654 F N 0.590 120.559 119.950 0.031 0.000 2.065 654 F HA -0.076 4.450 4.527 -0.000 0.000 0.298 654 F C 3.028 178.955 175.800 0.212 0.000 1.112 654 F CA 1.254 59.319 58.000 0.109 0.000 1.212 654 F CB -0.701 38.338 39.000 0.066 0.000 0.975 654 F HN 0.705 nan 8.300 nan 0.000 0.476 655 A N 0.284 123.278 122.820 0.290 0.000 1.968 655 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 655 A C 2.419 180.076 177.584 0.122 0.000 1.169 655 A CA 1.388 53.534 52.037 0.181 0.000 0.638 655 A CB -1.491 17.574 19.000 0.108 0.000 0.812 655 A HN 0.409 nan 8.150 nan 0.000 0.446 656 G N -0.647 108.208 108.800 0.092 0.000 2.432 656 G HA2 0.203 4.162 3.960 -0.000 0.000 0.219 656 G HA3 0.203 4.162 3.960 -0.000 0.000 0.219 656 G C 0.676 175.628 174.900 0.087 0.000 1.135 656 G CA 1.100 46.237 45.100 0.062 0.000 0.767 656 G HN 1.188 nan 8.290 nan 0.000 0.550 657 A N 0.882 123.790 122.820 0.147 0.000 3.082 657 A HA 0.661 4.981 4.320 -0.000 0.000 0.328 657 A C -2.585 175.150 177.584 0.251 0.000 1.089 657 A CA -1.162 50.973 52.037 0.164 0.000 0.802 657 A CB 1.288 20.384 19.000 0.161 0.000 1.138 657 A HN 0.129 nan 8.150 nan 0.000 0.474 658 P HA 0.021 nan 4.420 nan 0.000 0.269 658 P C 1.278 178.396 177.300 -0.302 0.000 1.217 658 P CA 0.471 63.517 63.100 -0.090 0.000 0.783 658 P CB 0.777 32.420 31.700 -0.094 0.000 0.898 659 S N 1.389 116.548 115.700 -0.902 0.000 2.440 659 S HA -0.184 4.285 4.470 -0.000 0.000 0.240 659 S C 1.911 176.360 174.600 -0.252 0.000 1.014 659 S CA 1.108 58.913 58.200 -0.659 0.000 0.980 659 S CB -1.387 61.365 63.200 -0.746 0.000 0.775 659 S HN 0.402 nan 8.310 nan 0.000 0.499 660 L N 1.834 122.919 121.223 -0.230 0.000 2.089 660 L HA -0.134 4.206 4.340 -0.000 0.000 0.213 660 L C 3.032 179.738 176.870 -0.274 0.000 1.079 660 L CA 1.793 56.492 54.840 -0.234 0.000 0.758 660 L CB -1.708 40.186 42.059 -0.274 0.000 0.891 660 L HN 0.669 nan 8.230 nan 0.000 0.433 661 T N -2.960 111.504 114.554 -0.150 0.000 3.129 661 T HA 0.204 4.554 4.350 -0.000 0.000 0.251 661 T C 0.417 175.213 174.700 0.160 0.000 1.117 661 T CA 0.192 62.290 62.100 -0.003 0.000 1.034 661 T CB -0.293 68.650 68.868 0.126 0.000 0.968 661 T HN 0.174 nan 8.240 nan 0.000 0.526 662 V N -2.394 117.578 119.914 0.097 0.000 3.046 662 V HA 0.579 4.699 4.120 -0.000 0.000 0.316 662 V C 0.024 176.169 176.094 0.085 0.000 1.104 662 V CA -0.919 61.460 62.300 0.132 0.000 1.006 662 V CB 2.122 34.039 31.823 0.157 0.000 1.058 662 V HN -0.009 nan 8.190 nan 0.000 0.440 663 D N 1.067 121.520 120.400 0.088 0.000 2.346 663 D HA 0.484 5.123 4.640 -0.000 0.000 0.206 663 D C 0.557 176.858 176.300 0.000 0.000 1.001 663 D CA 1.527 55.560 54.000 0.054 0.000 0.871 663 D CB 1.439 42.287 40.800 0.080 0.000 0.943 663 D HN 0.995 nan 8.370 nan 0.000 0.518 664 A N -0.161 122.671 122.820 0.021 0.000 2.566 664 A HA 0.531 4.851 4.320 -0.000 0.000 0.290 664 A C -1.640 175.966 177.584 0.037 0.000 1.071 664 A CA -0.553 51.480 52.037 -0.006 0.000 0.658 664 A CB 1.307 20.287 19.000 -0.033 0.000 1.285 664 A HN -0.115 nan 8.150 nan 0.000 0.427 665 V N 0.792 120.719 119.914 0.020 0.000 2.656 665 V HA 0.586 4.705 4.120 -0.000 0.000 0.307 665 V C -0.761 175.337 176.094 0.006 0.000 1.051 665 V CA -0.232 62.090 62.300 0.038 0.000 0.893 665 V CB 1.602 33.466 31.823 0.069 0.000 0.999 665 V HN 0.680 nan 8.190 nan 0.000 0.426 666 I N 4.182 124.762 120.570 0.016 0.000 2.436 666 I HA 0.536 4.706 4.170 -0.000 0.000 0.289 666 I C -0.874 175.267 176.117 0.039 0.000 1.010 666 I CA -0.906 60.429 61.300 0.058 0.000 1.098 666 I CB 2.174 40.237 38.000 0.106 0.000 1.266 666 I HN 0.270 nan 8.210 nan 0.000 0.434 667 V N 7.715 127.667 119.914 0.063 0.000 2.326 667 V HA 0.354 4.473 4.120 -0.000 0.000 0.281 667 V C -2.169 173.978 176.094 0.090 0.000 1.015 667 V CA -1.610 60.713 62.300 0.038 0.000 0.823 667 V CB 1.204 33.015 31.823 -0.020 0.000 1.009 667 V HN 0.551 nan 8.190 nan 0.000 0.436 668 P HA 0.306 nan 4.420 nan 0.000 0.276 668 P C 0.024 177.342 177.300 0.030 0.000 1.261 668 P CA -0.321 62.792 63.100 0.023 0.000 0.800 668 P CB 1.137 32.843 31.700 0.010 0.000 1.066 669 C N -0.323 118.973 119.300 -0.006 0.000 2.638 669 C HA 0.852 5.312 4.460 -0.000 0.000 0.348 669 C C 1.258 176.257 174.990 0.014 0.000 1.860 669 C CA 1.173 60.197 59.018 0.011 0.000 1.955 669 C CB -0.161 27.570 27.740 -0.015 0.000 1.922 669 C HN 0.906 nan 8.230 nan 0.000 0.519 670 G N 1.347 110.155 108.800 0.014 0.000 2.217 670 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.126 670 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.126 670 G C -0.914 173.999 174.900 0.022 0.000 1.293 670 G CA 0.129 45.237 45.100 0.013 0.000 1.219 670 G HN 0.908 nan 8.290 nan 0.000 0.477 671 N N 2.001 120.722 118.700 0.035 0.000 3.034 671 N HA 0.303 5.043 4.740 -0.000 0.000 0.265 671 N C 1.677 177.225 175.510 0.064 0.000 1.166 671 N CA -0.512 52.563 53.050 0.040 0.000 1.081 671 N CB -0.200 38.313 38.487 0.043 0.000 1.378 671 N HN 0.377 nan 8.380 nan 0.000 0.520 672 I N 0.909 121.508 120.570 0.048 0.000 2.454 672 I HA -0.210 3.960 4.170 -0.000 0.000 0.254 672 I C 2.012 178.140 176.117 0.019 0.000 1.156 672 I CA 0.686 62.019 61.300 0.054 0.000 1.433 672 I CB -1.359 36.650 38.000 0.016 0.000 1.082 672 I HN 0.453 nan 8.210 nan 0.000 0.432 673 A N 0.556 123.377 122.820 0.002 0.000 2.024 673 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 673 A C 2.092 179.695 177.584 0.032 0.000 1.164 673 A CA 2.078 54.112 52.037 -0.005 0.000 0.643 673 A CB -0.647 18.350 19.000 -0.005 0.000 0.806 673 A HN 0.400 nan 8.150 nan 0.000 0.451 674 D N 0.379 120.825 120.400 0.076 0.000 2.104 674 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 674 D C 1.702 178.080 176.300 0.129 0.000 0.994 674 D CA 1.870 55.941 54.000 0.119 0.000 0.830 674 D CB -0.196 40.720 40.800 0.193 0.000 0.959 674 D HN 0.646 nan 8.370 nan 0.000 0.452 675 I N -3.296 117.372 120.570 0.162 0.000 3.941 675 I HA 0.397 4.567 4.170 -0.000 0.000 0.321 675 I C 2.094 178.318 176.117 0.178 0.000 1.284 675 I CA 0.156 61.573 61.300 0.196 0.000 1.226 675 I CB -0.088 38.076 38.000 0.274 0.000 1.045 675 I HN -0.110 nan 8.210 nan 0.000 0.420 676 A N 2.018 124.846 122.820 0.012 0.000 1.940 676 A HA -0.250 4.069 4.320 -0.000 0.000 0.221 676 A C 1.667 179.179 177.584 -0.121 0.000 1.190 676 A CA 2.490 54.377 52.037 -0.250 0.000 0.647 676 A CB -0.687 18.149 19.000 -0.272 0.000 0.821 676 A HN 0.553 nan 8.150 nan 0.000 0.457 677 D N -0.592 119.791 120.400 -0.028 0.000 2.340 677 D HA 0.030 4.670 4.640 -0.000 0.000 0.217 677 D C 0.123 176.445 176.300 0.038 0.000 1.081 677 D CA -0.146 53.853 54.000 -0.002 0.000 0.842 677 D CB -0.305 40.491 40.800 -0.007 0.000 0.934 677 D HN 0.388 nan 8.370 nan 0.000 0.511 678 N N 0.949 119.691 118.700 0.070 0.000 2.442 678 N HA 0.031 4.771 4.740 -0.000 0.000 0.265 678 N C 1.343 176.892 175.510 0.066 0.000 1.138 678 N CA 0.023 53.116 53.050 0.071 0.000 0.956 678 N CB 1.551 40.092 38.487 0.089 0.000 1.067 678 N HN 0.003 nan 8.380 nan 0.000 0.474 679 G N 3.191 112.027 108.800 0.060 0.000 2.418 679 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.217 679 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.217 679 G C 0.899 175.852 174.900 0.087 0.000 1.158 679 G CA 0.596 45.734 45.100 0.064 0.000 0.771 679 G HN 0.601 nan 8.290 nan 0.000 0.545 680 D N 0.767 121.224 120.400 0.095 0.000 2.183 680 D HA 0.078 4.718 4.640 -0.000 0.000 0.203 680 D C 2.714 179.011 176.300 -0.005 0.000 0.969 680 D CA 1.009 55.097 54.000 0.146 0.000 0.842 680 D CB -0.298 40.652 40.800 0.250 0.000 0.957 680 D HN 0.317 nan 8.370 nan 0.000 0.484 681 A N 0.821 123.472 122.820 -0.283 0.000 1.897 681 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 681 A C 2.003 179.396 177.584 -0.318 0.000 1.181 681 A CA 1.003 52.639 52.037 -0.667 0.000 0.620 681 A CB -0.362 18.190 19.000 -0.748 0.000 0.821 681 A HN 0.135 nan 8.150 nan 0.000 0.443 682 N N -1.484 117.195 118.700 -0.036 0.000 2.106 682 N HA -0.169 4.570 4.740 -0.000 0.000 0.188 682 N C 1.711 177.227 175.510 0.010 0.000 1.029 682 N CA 1.721 54.809 53.050 0.064 0.000 0.848 682 N CB -0.395 38.187 38.487 0.158 0.000 1.007 682 N HN 0.658 nan 8.380 nan 0.000 0.423 683 Y N 0.661 120.937 120.300 -0.040 0.000 2.293 683 Y HA -0.239 4.310 4.550 -0.000 0.000 0.291 683 Y C 2.346 178.211 175.900 -0.057 0.000 1.137 683 Y CA 1.140 59.213 58.100 -0.045 0.000 1.202 683 Y CB -0.321 38.119 38.460 -0.033 0.000 0.990 683 Y HN 0.049 nan 8.280 nan 0.000 0.537 684 Y N 0.214 120.408 120.300 -0.176 0.000 2.128 684 Y HA -0.320 4.230 4.550 -0.000 0.000 0.284 684 Y C 2.065 177.784 175.900 -0.301 0.000 1.154 684 Y CA 2.178 60.143 58.100 -0.224 0.000 1.149 684 Y CB -0.421 37.889 38.460 -0.249 0.000 0.976 684 Y HN 0.110 nan 8.280 nan 0.000 0.505 685 L N -1.080 120.085 121.223 -0.097 0.000 2.093 685 L HA -0.249 4.090 4.340 -0.000 0.000 0.208 685 L C 2.410 179.171 176.870 -0.182 0.000 1.085 685 L CA 1.333 56.091 54.840 -0.137 0.000 0.755 685 L CB -0.474 41.464 42.059 -0.202 0.000 0.904 685 L HN 0.299 nan 8.230 nan 0.000 0.435 686 M N -0.712 118.725 119.600 -0.273 0.000 2.132 686 M HA -0.216 4.264 4.480 -0.000 0.000 0.263 686 M C 2.271 178.341 176.300 -0.383 0.000 1.065 686 M CA 1.658 56.788 55.300 -0.283 0.000 1.122 686 M CB -0.352 32.071 32.600 -0.294 0.000 1.365 686 M HN 0.195 nan 8.290 nan 0.000 0.411 687 E N 0.483 120.278 120.200 -0.675 0.000 2.051 687 E HA -0.203 4.146 4.350 -0.000 0.000 0.192 687 E C 1.970 178.224 176.600 -0.577 0.000 0.991 687 E CA 1.401 57.361 56.400 -0.732 0.000 0.799 687 E CB 0.017 29.247 29.700 -0.784 0.000 0.748 687 E HN 0.489 nan 8.360 nan 0.000 0.449 688 A N 0.076 122.673 122.820 -0.371 0.000 1.930 688 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 688 A C 1.976 179.460 177.584 -0.167 0.000 1.175 688 A CA 1.285 53.189 52.037 -0.222 0.000 0.627 688 A CB -0.756 18.168 19.000 -0.126 0.000 0.815 688 A HN 0.519 nan 8.150 nan 0.000 0.443 689 Y N 0.537 120.683 120.300 -0.257 0.000 2.133 689 Y HA -0.188 4.361 4.550 -0.000 0.000 0.287 689 Y C 2.399 178.177 175.900 -0.203 0.000 1.134 689 Y CA 2.304 60.282 58.100 -0.203 0.000 1.133 689 Y CB -0.270 38.083 38.460 -0.179 0.000 0.987 689 Y HN 0.295 nan 8.280 nan 0.000 0.502 690 K N -0.540 119.744 120.400 -0.192 0.000 2.113 690 K HA -0.252 4.068 4.320 -0.000 0.000 0.208 690 K C 1.087 177.558 176.600 -0.215 0.000 1.047 690 K CA 2.179 58.321 56.287 -0.242 0.000 0.928 690 K CB -0.473 31.832 32.500 -0.325 0.000 0.716 690 K HN 0.599 nan 8.250 nan 0.000 0.446 691 H N 0.282 119.231 119.070 -0.202 0.000 2.555 691 H HA 0.182 4.738 4.556 -0.000 0.000 0.283 691 H C -0.054 175.109 175.328 -0.274 0.000 1.037 691 H CA 0.146 56.069 56.048 -0.208 0.000 1.169 691 H CB 0.069 29.707 29.762 -0.206 0.000 1.375 691 H HN 0.127 nan 8.280 nan 0.000 0.582 692 L N 0.027 121.096 121.223 -0.256 0.000 4.089 692 L HA -0.279 4.061 4.340 -0.000 0.000 0.408 692 L C -0.453 176.158 176.870 -0.431 0.000 1.184 692 L CA 0.619 55.221 54.840 -0.397 0.000 0.947 692 L CB -1.779 40.035 42.059 -0.407 0.000 2.066 692 L HN 0.317 nan 8.230 nan 0.000 0.851 693 K N 0.748 120.960 120.400 -0.313 0.000 2.110 693 K HA 0.534 4.854 4.320 -0.000 0.000 0.263 693 K C -2.197 174.272 176.600 -0.218 0.000 0.975 693 K CA -1.867 54.260 56.287 -0.267 0.000 0.895 693 K CB 0.834 33.230 32.500 -0.174 0.000 1.060 693 K HN -0.207 nan 8.250 nan 0.000 0.448 694 P HA 0.073 nan 4.420 nan 0.000 0.268 694 P C -0.750 176.488 177.300 -0.104 0.000 1.204 694 P CA 0.322 63.327 63.100 -0.159 0.000 0.768 694 P CB 0.430 32.034 31.700 -0.160 0.000 0.842 695 I N 1.710 122.230 120.570 -0.084 0.000 2.533 695 I HA 0.577 4.747 4.170 -0.000 0.000 0.290 695 I C -0.435 175.633 176.117 -0.083 0.000 1.056 695 I CA -0.933 60.336 61.300 -0.053 0.000 1.057 695 I CB 2.252 40.249 38.000 -0.005 0.000 1.240 695 I HN 0.262 nan 8.210 nan 0.000 0.423 696 A N 7.941 130.716 122.820 -0.074 0.000 2.311 696 A HA 0.816 5.136 4.320 -0.000 0.000 0.306 696 A C -1.013 176.660 177.584 0.147 0.000 1.189 696 A CA -0.418 51.550 52.037 -0.115 0.000 0.791 696 A CB 0.778 19.589 19.000 -0.315 0.000 1.172 696 A HN 0.664 nan 8.150 nan 0.000 0.481 697 L N 2.487 123.838 121.223 0.215 0.000 2.305 697 L HA 0.733 5.073 4.340 -0.000 0.000 0.284 697 L C 0.359 177.428 176.870 0.331 0.000 1.013 697 L CA -0.502 54.486 54.840 0.248 0.000 0.819 697 L CB 1.806 43.962 42.059 0.162 0.000 1.227 697 L HN 0.757 nan 8.230 nan 0.000 0.417 698 A N 2.236 125.174 122.820 0.197 0.000 2.340 698 A HA 0.845 5.165 4.320 -0.000 0.000 0.331 698 A C 0.683 178.271 177.584 0.006 0.000 1.140 698 A CA 0.252 52.294 52.037 0.009 0.000 0.801 698 A CB 1.280 20.132 19.000 -0.246 0.000 1.234 698 A HN 0.935 nan 8.150 nan 0.000 0.469 699 G N 1.562 110.349 108.800 -0.022 0.000 2.684 699 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.332 699 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.332 699 G C 0.502 175.410 174.900 0.013 0.000 1.306 699 G CA 1.172 46.265 45.100 -0.013 0.000 1.002 699 G HN 0.752 nan 8.290 nan 0.000 0.545 700 D N 1.302 121.707 120.400 0.008 0.000 2.351 700 D HA 0.232 4.872 4.640 -0.000 0.000 0.216 700 D C 2.535 178.852 176.300 0.028 0.000 0.968 700 D CA 1.474 55.476 54.000 0.004 0.000 0.899 700 D CB -0.614 40.180 40.800 -0.009 0.000 0.907 700 D HN 0.729 nan 8.370 nan 0.000 0.514 701 A N 0.447 123.323 122.820 0.092 0.000 2.070 701 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 701 A C 2.075 179.790 177.584 0.218 0.000 1.159 701 A CA 0.781 52.947 52.037 0.215 0.000 0.656 701 A CB -0.322 18.800 19.000 0.204 0.000 0.800 701 A HN 0.117 nan 8.150 nan 0.000 0.453 702 R N -0.517 120.052 120.500 0.114 0.000 2.193 702 R HA -0.072 4.268 4.340 -0.000 0.000 0.229 702 R C 1.408 177.732 176.300 0.040 0.000 1.110 702 R CA 0.923 57.075 56.100 0.086 0.000 0.988 702 R CB -0.069 30.267 30.300 0.060 0.000 0.871 702 R HN 0.186 nan 8.270 nan 0.000 0.458 703 K N -0.035 120.350 120.400 -0.025 0.000 2.360 703 K HA -0.104 4.216 4.320 -0.000 0.000 0.201 703 K C 1.290 177.789 176.600 -0.168 0.000 1.046 703 K CA 1.129 57.344 56.287 -0.120 0.000 0.945 703 K CB -0.186 32.194 32.500 -0.200 0.000 0.750 703 K HN 0.222 nan 8.250 nan 0.000 0.464 704 F N 0.989 120.915 119.950 -0.041 0.000 2.748 704 F HA -0.012 4.515 4.527 -0.000 0.000 0.299 704 F C 1.803 177.555 175.800 -0.080 0.000 1.154 704 F CA 0.533 58.497 58.000 -0.060 0.000 1.446 704 F CB 0.070 39.032 39.000 -0.063 0.000 1.112 704 F HN -0.042 nan 8.300 nan 0.000 0.584 705 K N 0.190 120.635 120.400 0.074 0.000 2.209 705 K HA -0.151 4.168 4.320 -0.000 0.000 0.204 705 K C 2.258 178.830 176.600 -0.047 0.000 1.048 705 K CA 1.065 57.350 56.287 -0.003 0.000 0.940 705 K CB -0.265 32.230 32.500 -0.008 0.000 0.729 705 K HN 0.264 nan 8.250 nan 0.000 0.451 706 A N 0.723 123.521 122.820 -0.037 0.000 2.014 706 A HA -0.091 4.228 4.320 -0.000 0.000 0.218 706 A C 2.089 179.642 177.584 -0.051 0.000 1.163 706 A CA 1.506 53.512 52.037 -0.051 0.000 0.652 706 A CB -0.584 18.384 19.000 -0.053 0.000 0.808 706 A HN 0.195 nan 8.150 nan 0.000 0.449 707 T N 1.009 115.552 114.554 -0.017 0.000 2.746 707 T HA -0.089 4.260 4.350 -0.000 0.000 0.267 707 T C 1.246 175.891 174.700 -0.091 0.000 1.039 707 T CA 1.480 63.575 62.100 -0.007 0.000 1.142 707 T CB -0.528 68.395 68.868 0.093 0.000 0.866 707 T HN 0.678 nan 8.240 nan 0.000 0.444 708 I N -0.603 119.861 120.570 -0.176 0.000 3.595 708 I HA 0.472 4.641 4.170 -0.000 0.000 0.336 708 I C 0.211 176.104 176.117 -0.374 0.000 1.402 708 I CA -0.777 60.287 61.300 -0.393 0.000 1.223 708 I CB -0.369 37.197 38.000 -0.723 0.000 1.455 708 I HN -0.174 nan 8.210 nan 0.000 0.456 709 K N 2.224 122.506 120.400 -0.197 0.000 4.295 709 K HA -0.130 4.190 4.320 -0.000 0.000 0.270 709 K C -0.798 175.732 176.600 -0.117 0.000 0.724 709 K CA 0.709 56.923 56.287 -0.122 0.000 0.546 709 K CB -1.003 31.449 32.500 -0.080 0.000 2.062 709 K HN 0.778 nan 8.250 nan 0.000 0.406 710 I N -0.781 119.710 120.570 -0.132 0.000 2.752 710 I HA 0.452 4.622 4.170 -0.000 0.000 0.290 710 I C -1.343 174.742 176.117 -0.054 0.000 1.507 710 I CA 0.683 61.935 61.300 -0.079 0.000 1.038 710 I CB 1.334 39.300 38.000 -0.057 0.000 1.390 710 I HN 0.434 nan 8.210 nan 0.000 0.435 711 A N 4.715 127.522 122.820 -0.021 0.000 3.277 711 A HA -0.089 4.231 4.320 -0.000 0.000 0.654 711 A C -0.025 177.551 177.584 -0.012 0.000 0.495 711 A CA 1.201 53.233 52.037 -0.008 0.000 0.233 711 A CB -1.135 17.868 19.000 0.005 0.000 3.774 711 A HN 1.263 nan 8.150 nan 0.000 0.535 712 D N -2.092 118.304 120.400 -0.005 0.000 2.266 712 D HA 0.144 4.784 4.640 -0.000 0.000 0.304 712 D C 1.091 177.392 176.300 0.001 0.000 1.080 712 D CA 0.338 54.335 54.000 -0.005 0.000 0.850 712 D CB -0.006 40.789 40.800 -0.007 0.000 1.515 712 D HN 0.395 nan 8.370 nan 0.000 0.531 713 Q N 1.154 120.956 119.800 0.003 0.000 2.392 713 Q HA 0.336 4.676 4.340 -0.000 0.000 0.203 713 Q C 1.045 177.049 176.000 0.007 0.000 0.917 713 Q CA 0.926 56.732 55.803 0.005 0.000 0.939 713 Q CB 1.304 30.045 28.738 0.005 0.000 1.063 713 Q HN 0.380 nan 8.270 nan 0.000 0.516 714 G N 1.923 110.727 108.800 0.006 0.000 2.525 714 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.685 714 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.685 714 G C -1.282 173.624 174.900 0.009 0.000 1.290 714 G CA -0.325 44.779 45.100 0.007 0.000 0.915 714 G HN 0.182 nan 8.290 nan 0.000 0.548 715 E N -0.353 119.854 120.200 0.010 0.000 2.354 715 E HA 0.491 4.841 4.350 -0.000 0.000 0.283 715 E C -0.373 176.226 176.600 -0.001 0.000 0.938 715 E CA -0.612 55.798 56.400 0.016 0.000 0.777 715 E CB 1.255 30.982 29.700 0.045 0.000 1.222 715 E HN 0.654 nan 8.360 nan 0.000 0.423 716 E N 1.747 121.938 120.200 -0.015 0.000 2.652 716 E HA 0.206 4.555 4.350 -0.000 0.000 0.255 716 E C 0.797 177.360 176.600 -0.062 0.000 0.952 716 E CA 1.745 58.120 56.400 -0.041 0.000 0.947 716 E CB 0.323 29.997 29.700 -0.043 0.000 0.912 716 E HN 0.868 nan 8.360 nan 0.000 0.489 717 G N 3.044 111.793 108.800 -0.085 0.000 2.201 717 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.212 717 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.212 717 G C 0.004 174.856 174.900 -0.080 0.000 0.994 717 G CA -0.502 44.529 45.100 -0.115 0.000 0.644 717 G HN 0.422 nan 8.290 nan 0.000 0.508 718 I N 2.073 122.615 120.570 -0.046 0.000 2.411 718 I HA 0.466 4.635 4.170 -0.000 0.000 0.284 718 I C 0.381 176.453 176.117 -0.075 0.000 1.012 718 I CA -1.073 60.207 61.300 -0.033 0.000 1.119 718 I CB 1.316 39.326 38.000 0.017 0.000 1.261 718 I HN -0.110 nan 8.210 nan 0.000 0.448 719 V N 7.455 127.279 119.914 -0.150 0.000 2.546 719 V HA 0.390 4.509 4.120 -0.000 0.000 0.284 719 V C 0.252 176.256 176.094 -0.149 0.000 1.050 719 V CA -0.361 61.794 62.300 -0.242 0.000 0.981 719 V CB 1.413 32.933 31.823 -0.505 0.000 0.990 719 V HN 0.858 nan 8.190 nan 0.000 0.474 720 E N 4.039 124.240 120.200 0.001 0.000 2.390 720 E HA 0.898 5.248 4.350 -0.000 0.000 0.277 720 E C -0.931 175.840 176.600 0.284 0.000 0.939 720 E CA -0.982 55.534 56.400 0.193 0.000 0.769 720 E CB 2.617 32.381 29.700 0.108 0.000 1.251 720 E HN 0.817 nan 8.360 nan 0.000 0.450 721 A N 1.349 124.346 122.820 0.295 0.000 2.483 721 A HA 0.346 4.666 4.320 -0.000 0.000 0.294 721 A C -0.761 176.852 177.584 0.048 0.000 1.077 721 A CA -0.560 51.581 52.037 0.173 0.000 0.633 721 A CB 0.873 20.014 19.000 0.236 0.000 1.318 721 A HN 0.581 nan 8.150 nan 0.000 0.455 722 D N 0.405 120.806 120.400 0.003 0.000 2.224 722 D HA 0.111 4.750 4.640 -0.000 0.000 0.205 722 D C 0.955 177.201 176.300 -0.089 0.000 0.965 722 D CA 2.144 56.126 54.000 -0.030 0.000 0.852 722 D CB 0.082 40.870 40.800 -0.021 0.000 0.947 722 D HN 0.797 nan 8.370 nan 0.000 0.494 723 S N -1.497 114.106 115.700 -0.162 0.000 2.625 723 S HA 0.695 5.165 4.470 -0.000 0.000 0.271 723 S C -0.950 173.313 174.600 -0.562 0.000 1.161 723 S CA -1.029 57.009 58.200 -0.270 0.000 0.820 723 S CB 1.978 65.077 63.200 -0.167 0.000 1.137 723 S HN 0.015 nan 8.310 nan 0.000 0.470 724 A N 1.517 123.938 122.820 -0.664 0.000 2.376 724 A HA 0.601 4.920 4.320 -0.000 0.000 0.298 724 A C -0.030 177.347 177.584 -0.346 0.000 1.271 724 A CA -0.296 51.136 52.037 -1.008 0.000 0.926 724 A CB -1.125 17.465 19.000 -0.683 0.000 1.141 724 A HN 0.856 nan 8.150 nan 0.000 0.539 725 D N 1.639 121.957 120.400 -0.136 0.000 2.607 725 D HA 0.542 5.181 4.640 -0.000 0.000 0.253 725 D C 1.317 177.666 176.300 0.082 0.000 1.171 725 D CA 0.128 54.124 54.000 -0.007 0.000 1.084 725 D CB -0.068 40.734 40.800 0.002 0.000 1.203 725 D HN 0.194 nan 8.370 nan 0.000 0.629 726 G N -0.874 107.962 108.800 0.061 0.000 2.394 726 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 726 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 726 G C 1.526 176.476 174.900 0.084 0.000 1.165 726 G CA 1.045 46.183 45.100 0.063 0.000 0.784 726 G HN 0.426 nan 8.290 nan 0.000 0.535 727 S N -0.002 115.751 115.700 0.088 0.000 2.348 727 S HA -0.152 4.318 4.470 -0.000 0.000 0.221 727 S C 2.103 176.779 174.600 0.126 0.000 1.033 727 S CA 1.569 59.821 58.200 0.087 0.000 1.010 727 S CB -0.509 62.737 63.200 0.077 0.000 0.891 727 S HN 0.359 nan 8.310 nan 0.000 0.442 728 F N 2.159 122.107 119.950 -0.004 0.000 2.087 728 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 728 F C 2.130 177.926 175.800 -0.006 0.000 1.100 728 F CA 1.988 59.985 58.000 -0.004 0.000 1.226 728 F CB -0.383 38.615 39.000 -0.002 0.000 0.983 728 F HN 0.219 nan 8.300 nan 0.000 0.479 729 M N 0.087 119.847 119.600 0.266 0.000 2.296 729 M HA -0.143 4.337 4.480 -0.000 0.000 0.265 729 M C 1.610 177.918 176.300 0.013 0.000 1.064 729 M CA 1.210 56.583 55.300 0.121 0.000 1.109 729 M CB -1.291 31.404 32.600 0.157 0.000 1.396 729 M HN 0.145 nan 8.290 nan 0.000 0.430 730 D N 0.443 120.853 120.400 0.017 0.000 2.117 730 D HA -0.114 4.526 4.640 -0.000 0.000 0.198 730 D C 1.969 178.245 176.300 -0.040 0.000 0.982 730 D CA 1.017 55.013 54.000 -0.006 0.000 0.828 730 D CB -0.095 40.709 40.800 0.008 0.000 0.967 730 D HN 0.439 nan 8.370 nan 0.000 0.464 731 E N 0.338 120.499 120.200 -0.066 0.000 2.038 731 E HA -0.145 4.204 4.350 -0.000 0.000 0.195 731 E C 2.094 178.614 176.600 -0.133 0.000 1.000 731 E CA 0.365 56.704 56.400 -0.102 0.000 0.803 731 E CB -0.116 29.497 29.700 -0.145 0.000 0.750 731 E HN 0.138 nan 8.360 nan 0.000 0.448 732 L N 1.042 122.153 121.223 -0.186 0.000 2.042 732 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 732 L C 2.160 178.966 176.870 -0.107 0.000 1.076 732 L CA 1.599 56.330 54.840 -0.181 0.000 0.749 732 L CB -0.455 41.465 42.059 -0.232 0.000 0.893 732 L HN 0.247 nan 8.230 nan 0.000 0.432 733 L N -0.887 120.292 121.223 -0.073 0.000 2.217 733 L HA -0.162 4.177 4.340 -0.000 0.000 0.211 733 L C 2.408 179.253 176.870 -0.043 0.000 1.107 733 L CA 1.093 55.905 54.840 -0.046 0.000 0.783 733 L CB -0.608 41.435 42.059 -0.027 0.000 0.919 733 L HN 0.244 nan 8.230 nan 0.000 0.442 734 T N 0.142 114.666 114.554 -0.049 0.000 2.732 734 T HA -0.115 4.235 4.350 -0.000 0.000 0.261 734 T C 1.983 176.650 174.700 -0.055 0.000 1.040 734 T CA 1.026 63.102 62.100 -0.040 0.000 1.145 734 T CB -0.200 68.645 68.868 -0.038 0.000 0.866 734 T HN 0.146 nan 8.240 nan 0.000 0.427 735 L N 0.586 121.759 121.223 -0.085 0.000 1.997 735 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 735 L C 2.777 179.580 176.870 -0.112 0.000 1.074 735 L CA 1.676 56.446 54.840 -0.118 0.000 0.763 735 L CB -0.589 41.383 42.059 -0.145 0.000 0.890 735 L HN 0.338 nan 8.230 nan 0.000 0.434 736 M N -0.841 118.707 119.600 -0.086 0.000 2.149 736 M HA -0.221 4.259 4.480 -0.000 0.000 0.261 736 M C 2.370 178.665 176.300 -0.009 0.000 1.064 736 M CA 1.889 57.158 55.300 -0.052 0.000 1.102 736 M CB -0.617 31.963 32.600 -0.033 0.000 1.369 736 M HN 0.344 nan 8.290 nan 0.000 0.408 737 A N 0.116 122.931 122.820 -0.008 0.000 2.125 737 A HA 0.083 4.403 4.320 -0.000 0.000 0.219 737 A C 2.101 179.712 177.584 0.045 0.000 1.156 737 A CA 1.625 53.674 52.037 0.021 0.000 0.671 737 A CB -0.621 18.386 19.000 0.013 0.000 0.794 737 A HN 0.526 nan 8.150 nan 0.000 0.459 738 A N -2.716 120.110 122.820 0.010 0.000 2.308 738 A HA 0.395 4.714 4.320 -0.000 0.000 0.217 738 A C 0.911 178.498 177.584 0.004 0.000 1.216 738 A CA 1.112 53.160 52.037 0.018 0.000 0.864 738 A CB -0.347 18.621 19.000 -0.054 0.000 0.902 738 A HN 0.881 nan 8.150 nan 0.000 0.499 739 H N -1.048 117.945 119.070 -0.128 0.000 4.856 739 H HA -0.187 4.369 4.556 -0.000 0.000 0.059 739 H C 0.002 175.091 175.328 -0.399 0.000 0.596 739 H CA 2.385 58.333 56.048 -0.166 0.000 0.946 739 H CB -0.596 29.165 29.762 -0.002 0.000 0.453 739 H HN 0.437 nan 8.280 nan 0.000 0.801 740 R N -0.209 119.663 120.500 -1.047 0.000 2.867 740 R HA 0.628 4.968 4.340 -0.000 0.000 0.268 740 R C -0.570 174.877 176.300 -1.422 0.000 1.014 740 R CA -0.324 54.930 56.100 -1.410 0.000 0.946 740 R CB 1.713 30.820 30.300 -1.987 0.000 1.208 740 R HN 0.114 nan 8.270 nan 0.000 0.477 741 V N 2.451 121.770 119.914 -0.991 0.000 2.221 741 V HA 0.127 4.247 4.120 -0.000 0.000 0.258 741 V C 0.711 176.469 176.094 -0.559 0.000 1.179 741 V CA -0.510 61.387 62.300 -0.673 0.000 1.022 741 V CB -0.208 31.352 31.823 -0.437 0.000 1.228 741 V HN 0.716 nan 8.190 nan 0.000 0.487 742 W N 1.670 122.696 121.300 -0.456 0.000 2.363 742 W HA -0.207 4.452 4.660 -0.000 0.000 0.296 742 W C 2.641 178.947 176.519 -0.356 0.000 1.212 742 W CA 1.021 58.007 57.345 -0.597 0.000 1.260 742 W CB -0.503 28.243 29.460 -1.189 0.000 1.131 742 W HN 0.644 nan 8.180 nan 0.000 0.530 743 S N 0.915 116.579 115.700 -0.060 0.000 2.420 743 S HA -0.262 4.207 4.470 -0.000 0.000 0.237 743 S C 1.744 176.309 174.600 -0.059 0.000 1.023 743 S CA 1.347 59.523 58.200 -0.040 0.000 0.991 743 S CB -0.573 62.601 63.200 -0.044 0.000 0.792 743 S HN 0.392 nan 8.310 nan 0.000 0.488 744 R N 0.563 120.989 120.500 -0.124 0.000 2.307 744 R HA 0.233 4.572 4.340 -0.000 0.000 0.199 744 R C 1.837 178.075 176.300 -0.105 0.000 1.000 744 R CA 0.397 56.406 56.100 -0.152 0.000 1.023 744 R CB -0.397 29.703 30.300 -0.333 0.000 0.908 744 R HN 0.508 nan 8.270 nan 0.000 0.473 745 I N 2.189 122.736 120.570 -0.038 0.000 2.113 745 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 745 I C -0.722 175.420 176.117 0.042 0.000 1.064 745 I CA 1.611 62.931 61.300 0.033 0.000 1.320 745 I CB -1.047 37.019 38.000 0.110 0.000 1.028 745 I HN 0.189 nan 8.210 nan 0.000 0.406 746 P HA -0.198 nan 4.420 nan 0.000 0.216 746 P C 1.302 178.632 177.300 0.050 0.000 1.150 746 P CA 1.689 64.819 63.100 0.049 0.000 0.843 746 P CB -0.094 31.631 31.700 0.042 0.000 0.787 747 K N -0.368 120.059 120.400 0.044 0.000 2.432 747 K HA 0.016 4.336 4.320 -0.000 0.000 0.196 747 K C 2.096 178.758 176.600 0.103 0.000 1.038 747 K CA 0.563 56.897 56.287 0.078 0.000 0.986 747 K CB -0.437 32.128 32.500 0.108 0.000 0.782 747 K HN 0.312 nan 8.250 nan 0.000 0.485 748 I N -2.489 118.114 120.570 0.055 0.000 2.852 748 I HA -0.023 4.147 4.170 -0.000 0.000 0.264 748 I C 0.742 176.901 176.117 0.070 0.000 1.179 748 I CA 0.908 62.245 61.300 0.062 0.000 1.480 748 I CB 0.031 38.020 38.000 -0.018 0.000 1.111 748 I HN -0.110 nan 8.210 nan 0.000 0.441 749 D N 2.088 122.530 120.400 0.070 0.000 2.378 749 D HA -0.104 4.536 4.640 -0.000 0.000 0.227 749 D C 1.801 178.139 176.300 0.064 0.000 1.012 749 D CA 0.572 54.615 54.000 0.071 0.000 0.905 749 D CB 0.043 40.891 40.800 0.080 0.000 0.895 749 D HN 0.479 nan 8.370 nan 0.000 0.532 750 K N 1.183 121.620 120.400 0.062 0.000 2.284 750 K HA -0.027 4.293 4.320 -0.000 0.000 0.198 750 K C 0.745 177.374 176.600 0.048 0.000 1.048 750 K CA -0.150 56.168 56.287 0.051 0.000 0.987 750 K CB 0.287 32.813 32.500 0.044 0.000 0.800 750 K HN 0.083 nan 8.250 nan 0.000 0.486 751 I N 2.280 122.884 120.570 0.056 0.000 2.752 751 I HA 0.089 4.259 4.170 -0.000 0.000 0.289 751 I C -2.408 173.733 176.117 0.040 0.000 1.197 751 I CA -2.187 59.139 61.300 0.043 0.000 1.432 751 I CB -0.347 37.684 38.000 0.052 0.000 1.359 751 I HN -0.064 nan 8.210 nan 0.000 0.571 752 P HA 0.545 nan 4.420 nan 0.000 0.241 752 P C -0.753 176.597 177.300 0.084 0.000 1.780 752 P CA -0.034 63.099 63.100 0.054 0.000 1.111 752 P CB 0.310 32.038 31.700 0.047 0.000 1.852 753 A N 0.000 122.867 122.820 0.078 0.000 2.254 753 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 753 A CA 0.000 52.108 52.037 0.118 0.000 0.836 753 A CB 0.000 18.940 19.000 -0.100 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486