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 1ggk_1_B 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 DTVRDIRGFA TKFYTEEGIF DLVGHNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.285 176.300 -0.025 0.000 2.045 27 D CA 0.000 53.988 54.000 -0.019 0.000 0.868 27 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 28 S N -0.080 115.600 115.700 -0.033 0.000 3.820 28 S HA -0.061 4.432 4.470 0.038 0.000 0.761 28 S C 0.473 175.039 174.600 -0.057 0.000 0.478 28 S CA 0.511 58.683 58.200 -0.047 0.000 1.364 28 S CB -1.667 61.509 63.200 -0.041 0.000 0.736 28 S HN 0.340 nan 8.310 nan 0.000 1.000 29 L N 1.737 122.919 121.223 -0.068 0.000 2.529 29 L HA 0.376 4.739 4.340 0.038 0.000 0.223 29 L C 1.508 178.311 176.870 -0.110 0.000 1.113 29 L CA 0.735 55.533 54.840 -0.070 0.000 0.861 29 L CB -0.260 41.767 42.059 -0.054 0.000 1.012 29 L HN 0.712 nan 8.230 nan 0.000 0.461 30 A N 1.381 124.094 122.820 -0.178 0.000 2.386 30 A HA 0.441 4.784 4.320 0.038 0.000 0.248 30 A C -2.062 175.401 177.584 -0.202 0.000 1.082 30 A CA -0.959 50.882 52.037 -0.327 0.000 0.789 30 A CB -0.414 18.206 19.000 -0.633 0.000 1.025 30 A HN -0.035 nan 8.150 nan 0.000 0.490 31 P HA 0.184 nan 4.420 nan 0.000 0.275 31 P C 0.209 177.500 177.300 -0.016 0.000 1.227 31 P CA -0.220 62.851 63.100 -0.048 0.000 0.781 31 P CB 0.963 32.667 31.700 0.008 0.000 0.906 32 E N 2.107 122.305 120.200 -0.004 0.000 2.086 32 E HA -0.248 4.125 4.350 0.038 0.000 0.205 32 E C 1.279 177.899 176.600 0.033 0.000 1.027 32 E CA 2.232 58.638 56.400 0.009 0.000 0.830 32 E CB -0.810 28.894 29.700 0.006 0.000 0.751 32 E HN 0.664 nan 8.360 nan 0.000 0.456 33 D N -1.286 119.139 120.400 0.042 0.000 2.378 33 D HA -0.022 4.641 4.640 0.038 0.000 0.222 33 D C 1.189 177.537 176.300 0.080 0.000 0.980 33 D CA 1.077 55.108 54.000 0.051 0.000 0.907 33 D CB -0.534 40.291 40.800 0.042 0.000 0.899 33 D HN 0.270 nan 8.370 nan 0.000 0.527 34 G N 0.084 108.970 108.800 0.144 0.000 2.179 34 G HA2 -0.330 3.653 3.960 0.038 0.000 0.257 34 G HA3 -0.330 3.653 3.960 0.038 0.000 0.257 34 G C 0.819 175.812 174.900 0.155 0.000 1.010 34 G CA 0.795 46.036 45.100 0.236 0.000 0.736 34 G HN 0.768 nan 8.290 nan 0.000 0.513 35 S N 0.346 116.144 115.700 0.163 0.000 2.754 35 S HA 0.109 4.602 4.470 0.038 0.000 0.223 35 S C 1.585 176.239 174.600 0.090 0.000 0.951 35 S CA 0.698 58.944 58.200 0.077 0.000 0.954 35 S CB -0.408 62.829 63.200 0.061 0.000 0.780 35 S HN 0.901 nan 8.310 nan 0.000 0.509 36 H N 0.388 119.466 119.070 0.014 0.000 2.553 36 H HA 0.403 4.982 4.556 0.038 0.000 0.265 36 H C 0.512 175.853 175.328 0.021 0.000 0.964 36 H CA -0.325 55.732 56.048 0.015 0.000 1.156 36 H CB -0.105 29.664 29.762 0.013 0.000 1.411 36 H HN 0.372 nan 8.280 nan 0.000 0.558 37 R N 2.296 122.456 120.500 -0.566 0.000 2.599 37 R HA 0.408 4.771 4.340 0.038 0.000 0.295 37 R C -2.770 173.429 176.300 -0.169 0.000 0.963 37 R CA -1.883 53.983 56.100 -0.390 0.000 0.883 37 R CB 1.683 31.624 30.300 -0.598 0.000 1.171 37 R HN 0.058 nan 8.270 nan 0.000 0.450 38 P HA 0.266 nan 4.420 nan 0.000 0.281 38 P C -1.050 176.241 177.300 -0.015 0.000 1.249 38 P CA -0.575 62.510 63.100 -0.025 0.000 0.810 38 P CB 1.403 33.112 31.700 0.015 0.000 1.008 39 A N 1.999 124.818 122.820 -0.001 0.000 2.462 39 A HA 0.444 4.787 4.320 0.038 0.000 0.243 39 A C 0.825 178.421 177.584 0.020 0.000 1.076 39 A CA -0.123 51.917 52.037 0.006 0.000 0.773 39 A CB -0.356 18.650 19.000 0.010 0.000 1.010 39 A HN 0.578 nan 8.150 nan 0.000 0.493 40 A N 2.945 125.777 122.820 0.020 0.000 3.091 40 A HA 0.517 4.860 4.320 0.038 0.000 0.264 40 A C 0.227 177.831 177.584 0.032 0.000 1.673 40 A CA 0.030 52.085 52.037 0.029 0.000 1.362 40 A CB -0.868 18.147 19.000 0.025 0.000 1.137 40 A HN 0.880 nan 8.150 nan 0.000 0.617 41 E N -0.403 119.818 120.200 0.036 0.000 2.390 41 E HA 0.471 4.844 4.350 0.038 0.000 0.280 41 E C -3.259 173.365 176.600 0.040 0.000 0.992 41 E CA -2.475 53.947 56.400 0.037 0.000 0.790 41 E CB 0.530 30.246 29.700 0.028 0.000 1.248 41 E HN 0.056 nan 8.360 nan 0.000 0.447 42 P HA 0.035 nan 4.420 nan 0.000 0.261 42 P C -0.797 176.517 177.300 0.025 0.000 1.183 42 P CA 0.466 63.586 63.100 0.033 0.000 0.761 42 P CB 0.415 32.125 31.700 0.016 0.000 0.785 43 T N 0.917 115.483 114.554 0.020 0.000 2.916 43 T HA 0.605 4.978 4.350 0.038 0.000 0.305 43 T C -3.033 171.650 174.700 -0.027 0.000 1.119 43 T CA -2.629 59.477 62.100 0.011 0.000 1.008 43 T CB 1.679 70.558 68.868 0.018 0.000 1.129 43 T HN 0.024 nan 8.240 nan 0.000 0.480 44 P HA 0.328 nan 4.420 nan 0.000 0.271 44 P C -2.711 174.489 177.300 -0.168 0.000 1.218 44 P CA -1.462 61.527 63.100 -0.184 0.000 0.780 44 P CB -0.899 30.759 31.700 -0.069 0.000 0.901 45 P HA 0.028 nan 4.420 nan 0.000 0.261 45 P C 1.097 178.369 177.300 -0.048 0.000 1.183 45 P CA 1.319 64.346 63.100 -0.121 0.000 0.761 45 P CB -0.293 31.329 31.700 -0.130 0.000 0.785 46 G N 2.839 111.633 108.800 -0.010 0.000 2.179 46 G HA2 -0.317 3.666 3.960 0.038 0.000 0.260 46 G HA3 -0.317 3.666 3.960 0.038 0.000 0.260 46 G C 1.072 175.977 174.900 0.009 0.000 0.977 46 G CA 0.380 45.484 45.100 0.007 0.000 0.641 46 G HN 0.686 nan 8.290 nan 0.000 0.533 47 A N -1.109 121.713 122.820 0.004 0.000 1.970 47 A HA 0.441 4.784 4.320 0.038 0.000 0.216 47 A C 1.390 178.982 177.584 0.013 0.000 1.170 47 A CA 1.961 54.004 52.037 0.009 0.000 0.645 47 A CB 0.018 19.022 19.000 0.007 0.000 0.816 47 A HN 0.546 nan 8.150 nan 0.000 0.447 48 Q N -1.034 118.777 119.800 0.018 0.000 2.544 48 Q HA 0.430 4.793 4.340 0.038 0.000 0.291 48 Q C -2.938 173.077 176.000 0.026 0.000 1.068 48 Q CA -2.062 53.753 55.803 0.020 0.000 0.785 48 Q CB 0.714 29.466 28.738 0.024 0.000 1.481 48 Q HN 0.105 nan 8.270 nan 0.000 0.430 49 P HA 0.062 nan 4.420 nan 0.000 0.271 49 P C -0.289 177.041 177.300 0.050 0.000 1.216 49 P CA 0.015 63.129 63.100 0.023 0.000 0.776 49 P CB 0.288 31.997 31.700 0.016 0.000 0.881 50 T N -0.628 113.953 114.554 0.045 0.000 2.828 50 T HA 0.670 5.043 4.350 0.038 0.000 0.290 50 T C -0.009 174.776 174.700 0.141 0.000 1.019 50 T CA -0.513 61.666 62.100 0.131 0.000 1.031 50 T CB 0.887 69.781 68.868 0.045 0.000 1.001 50 T HN 0.637 nan 8.240 nan 0.000 0.531 51 A N 1.296 124.300 122.820 0.307 0.000 2.602 51 A HA 0.780 5.123 4.320 0.038 0.000 0.290 51 A C -3.052 174.790 177.584 0.430 0.000 1.114 51 A CA -1.943 50.251 52.037 0.261 0.000 0.683 51 A CB 0.431 19.529 19.000 0.163 0.000 1.281 51 A HN 0.671 nan 8.150 nan 0.000 0.416 52 P HA 0.097 nan 4.420 nan 0.000 0.263 52 P C 1.235 178.681 177.300 0.242 0.000 1.175 52 P CA 1.020 64.320 63.100 0.334 0.000 0.761 52 P CB 0.413 32.240 31.700 0.212 0.000 0.794 53 G N 2.430 111.339 108.800 0.182 0.000 2.475 53 G HA2 -0.298 3.685 3.960 0.038 0.000 0.220 53 G HA3 -0.298 3.685 3.960 0.038 0.000 0.220 53 G C 1.398 176.319 174.900 0.036 0.000 1.125 53 G CA 1.135 46.261 45.100 0.043 0.000 0.755 53 G HN 0.609 nan 8.290 nan 0.000 0.565 54 S N -0.514 115.215 115.700 0.049 0.000 2.593 54 S HA 0.283 4.776 4.470 0.038 0.000 0.217 54 S C 2.017 176.642 174.600 0.042 0.000 0.966 54 S CA 0.091 58.306 58.200 0.025 0.000 0.914 54 S CB -0.022 63.184 63.200 0.009 0.000 0.776 54 S HN 0.303 nan 8.310 nan 0.000 0.523 55 L N -0.249 121.013 121.223 0.065 0.000 2.316 55 L HA 0.336 4.699 4.340 0.038 0.000 0.207 55 L C 2.581 179.487 176.870 0.059 0.000 1.070 55 L CA 0.554 55.431 54.840 0.062 0.000 0.820 55 L CB -0.304 41.798 42.059 0.072 0.000 0.992 55 L HN 0.220 nan 8.230 nan 0.000 0.466 56 K N 1.414 121.860 120.400 0.076 0.000 2.116 56 K HA 0.065 4.408 4.320 0.038 0.000 0.203 56 K C 0.644 177.275 176.600 0.052 0.000 1.052 56 K CA 1.199 57.530 56.287 0.073 0.000 0.952 56 K CB 0.149 32.711 32.500 0.103 0.000 0.729 56 K HN 0.151 nan 8.250 nan 0.000 0.446 57 A N 0.765 123.608 122.820 0.038 0.000 3.266 57 A HA 0.352 4.695 4.320 0.038 0.000 0.310 57 A C -2.255 175.336 177.584 0.011 0.000 1.066 57 A CA -0.996 51.059 52.037 0.030 0.000 0.839 57 A CB 0.702 19.722 19.000 0.033 0.000 1.192 57 A HN 0.123 nan 8.150 nan 0.000 0.496 58 P HA -0.074 nan 4.420 nan 0.000 0.223 58 P C 0.095 177.392 177.300 -0.005 0.000 1.151 58 P CA 1.118 64.220 63.100 0.003 0.000 0.787 58 P CB 0.355 32.062 31.700 0.010 0.000 0.788 59 D N -0.924 119.477 120.400 0.002 0.000 2.349 59 D HA 0.033 4.696 4.640 0.038 0.000 0.214 59 D C 0.144 176.438 176.300 -0.010 0.000 1.063 59 D CA 0.480 54.478 54.000 -0.003 0.000 0.847 59 D CB -0.147 40.657 40.800 0.007 0.000 0.933 59 D HN 0.084 nan 8.370 nan 0.000 0.513 60 T N 1.899 116.444 114.554 -0.015 0.000 2.739 60 T HA 0.357 4.730 4.350 0.038 0.000 0.298 60 T C 0.423 175.089 174.700 -0.058 0.000 0.929 60 T CA -0.297 61.783 62.100 -0.032 0.000 1.014 60 T CB 0.680 69.523 68.868 -0.043 0.000 0.914 60 T HN -0.093 nan 8.240 nan 0.000 0.509 61 R N 2.945 123.409 120.500 -0.060 0.000 2.892 61 R HA 0.769 5.132 4.340 0.038 0.000 0.265 61 R C -0.288 175.967 176.300 -0.075 0.000 1.025 61 R CA -1.016 55.040 56.100 -0.073 0.000 0.982 61 R CB 1.197 31.461 30.300 -0.061 0.000 1.185 61 R HN 0.704 nan 8.270 nan 0.000 0.484 62 N N -1.840 116.814 118.700 -0.078 0.000 2.823 62 N HA 0.012 4.775 4.740 0.038 0.000 0.251 62 N C -0.126 175.341 175.510 -0.071 0.000 1.392 62 N CA -0.908 52.107 53.050 -0.059 0.000 0.864 62 N CB 0.860 39.340 38.487 -0.010 0.000 1.481 62 N HN 0.664 nan 8.380 nan 0.000 0.508 63 E N 0.069 120.239 120.200 -0.050 0.000 2.118 63 E HA -0.285 4.088 4.350 0.038 0.000 0.195 63 E C 1.037 177.565 176.600 -0.121 0.000 0.992 63 E CA 1.501 57.864 56.400 -0.061 0.000 0.804 63 E CB 0.091 29.778 29.700 -0.022 0.000 0.741 63 E HN 0.503 nan 8.360 nan 0.000 0.458 64 K N 0.660 120.951 120.400 -0.181 0.000 2.062 64 K HA -0.047 4.296 4.320 0.038 0.000 0.205 64 K C 2.086 178.528 176.600 -0.264 0.000 1.051 64 K CA 1.122 57.212 56.287 -0.329 0.000 0.941 64 K CB -0.331 31.803 32.500 -0.610 0.000 0.719 64 K HN 0.212 nan 8.250 nan 0.000 0.440 65 L N 0.866 121.943 121.223 -0.243 0.000 2.083 65 L HA -0.169 4.194 4.340 0.038 0.000 0.209 65 L C 1.752 178.516 176.870 -0.176 0.000 1.083 65 L CA 1.106 55.784 54.840 -0.269 0.000 0.752 65 L CB -0.526 41.358 42.059 -0.293 0.000 0.899 65 L HN 0.237 nan 8.230 nan 0.000 0.433 66 N N -0.924 117.697 118.700 -0.131 0.000 2.216 66 N HA -0.154 4.609 4.740 0.038 0.000 0.183 66 N C 2.041 177.497 175.510 -0.088 0.000 1.017 66 N CA 1.262 54.257 53.050 -0.093 0.000 0.861 66 N CB -0.316 38.129 38.487 -0.070 0.000 0.986 66 N HN 0.086 nan 8.380 nan 0.000 0.428 67 S N 0.513 116.150 115.700 -0.105 0.000 2.399 67 S HA 0.059 4.552 4.470 0.038 0.000 0.231 67 S C 1.642 176.186 174.600 -0.093 0.000 1.022 67 S CA 0.559 58.702 58.200 -0.094 0.000 0.983 67 S CB -0.151 62.979 63.200 -0.118 0.000 0.803 67 S HN 0.238 nan 8.310 nan 0.000 0.480 68 L N 1.064 122.218 121.223 -0.115 0.000 2.610 68 L HA 0.106 4.469 4.340 0.038 0.000 0.232 68 L C 2.166 178.995 176.870 -0.068 0.000 1.149 68 L CA 0.414 55.196 54.840 -0.097 0.000 0.872 68 L CB -0.277 41.709 42.059 -0.121 0.000 0.992 68 L HN 0.235 nan 8.230 nan 0.000 0.447 69 E N 0.773 120.937 120.200 -0.060 0.000 2.268 69 E HA -0.222 4.151 4.350 0.038 0.000 0.195 69 E C 1.727 178.310 176.600 -0.028 0.000 0.995 69 E CA 1.119 57.495 56.400 -0.040 0.000 0.836 69 E CB 0.028 29.706 29.700 -0.035 0.000 0.763 69 E HN 0.549 nan 8.360 nan 0.000 0.491 70 D N -0.483 119.900 120.400 -0.030 0.000 2.219 70 D HA -0.145 4.519 4.640 0.038 0.000 0.205 70 D C 1.672 177.961 176.300 -0.018 0.000 0.970 70 D CA 1.518 55.505 54.000 -0.021 0.000 0.851 70 D CB -0.306 40.481 40.800 -0.022 0.000 0.943 70 D HN 0.299 nan 8.370 nan 0.000 0.488 71 V N -3.103 116.799 119.914 -0.021 0.000 3.660 71 V HA 0.294 4.437 4.120 0.038 0.000 0.276 71 V C 0.947 177.036 176.094 -0.008 0.000 1.317 71 V CA -0.621 61.671 62.300 -0.013 0.000 1.097 71 V CB -0.467 31.348 31.823 -0.013 0.000 0.863 71 V HN -0.143 nan 8.190 nan 0.000 0.438 72 R N 1.833 122.328 120.500 -0.009 0.000 2.590 72 R HA 0.431 4.794 4.340 0.038 0.000 0.274 72 R C -0.284 176.017 176.300 0.003 0.000 1.061 72 R CA -0.006 56.095 56.100 0.002 0.000 1.081 72 R CB 0.762 31.063 30.300 0.003 0.000 0.984 72 R HN 0.350 nan 8.270 nan 0.000 0.448 73 K N 0.667 121.072 120.400 0.008 0.000 2.292 73 K HA 0.349 4.692 4.320 0.038 0.000 0.257 73 K C -0.081 176.531 176.600 0.020 0.000 0.940 73 K CA -0.397 55.885 56.287 -0.010 0.000 0.811 73 K CB 1.839 34.322 32.500 -0.028 0.000 1.120 73 K HN 0.720 nan 8.250 nan 0.000 0.428 74 G N 0.287 109.110 108.800 0.037 0.000 2.509 74 G HA2 0.304 4.287 3.960 0.038 0.000 0.269 74 G HA3 0.304 4.287 3.960 0.038 0.000 0.269 74 G C 0.232 175.210 174.900 0.129 0.000 1.416 74 G CA 0.178 45.345 45.100 0.112 0.000 1.052 74 G HN 0.725 nan 8.290 nan 0.000 0.542 75 S N -2.559 113.279 115.700 0.230 0.000 2.842 75 S HA 0.108 4.601 4.470 0.038 0.000 0.240 75 S C 0.195 174.958 174.600 0.272 0.000 0.987 75 S CA -0.119 58.224 58.200 0.238 0.000 1.166 75 S CB -0.031 63.243 63.200 0.123 0.000 0.942 75 S HN 0.524 nan 8.310 nan 0.000 0.403 76 E N 3.143 123.439 120.200 0.160 0.000 2.414 76 E HA 0.302 4.675 4.350 0.038 0.000 0.263 76 E C -0.123 176.454 176.600 -0.039 0.000 1.000 76 E CA 0.254 56.693 56.400 0.064 0.000 0.914 76 E CB -0.002 29.722 29.700 0.040 0.000 0.948 76 E HN 0.399 nan 8.360 nan 0.000 0.444 77 N N 0.456 119.124 118.700 -0.055 0.000 2.909 77 N HA -0.211 4.552 4.740 0.038 0.000 0.242 77 N C -0.987 174.401 175.510 -0.204 0.000 0.975 77 N CA 1.093 54.056 53.050 -0.146 0.000 0.921 77 N CB -1.040 37.312 38.487 -0.224 0.000 1.112 77 N HN 0.401 nan 8.380 nan 0.000 0.581 78 Y N 0.729 121.034 120.300 0.009 0.000 2.419 78 Y HA 0.618 5.191 4.550 0.039 0.000 0.328 78 Y C 0.942 176.845 175.900 0.005 0.000 1.162 78 Y CA -0.284 57.820 58.100 0.008 0.000 1.174 78 Y CB 0.955 39.420 38.460 0.009 0.000 1.228 78 Y HN 0.090 nan 8.280 nan 0.000 0.473 79 A N 2.139 125.075 122.820 0.194 0.000 2.351 79 A HA 0.419 4.762 4.320 0.038 0.000 0.257 79 A C -0.827 176.805 177.584 0.080 0.000 1.087 79 A CA -0.532 51.567 52.037 0.103 0.000 0.798 79 A CB 0.120 19.167 19.000 0.078 0.000 1.033 79 A HN 0.707 nan 8.150 nan 0.000 0.488 80 L N 2.540 123.791 121.223 0.046 0.000 2.360 80 L HA 0.529 4.892 4.340 0.038 0.000 0.276 80 L C 0.595 177.473 176.870 0.015 0.000 1.121 80 L CA 1.098 55.952 54.840 0.023 0.000 0.845 80 L CB 0.392 42.457 42.059 0.010 0.000 1.143 80 L HN 0.930 nan 8.230 nan 0.000 0.452 81 T N 0.397 114.954 114.554 0.005 0.000 2.838 81 T HA 0.667 5.040 4.350 0.038 0.000 0.292 81 T C 0.160 174.862 174.700 0.004 0.000 1.113 81 T CA -0.172 61.934 62.100 0.009 0.000 1.008 81 T CB 1.047 69.923 68.868 0.013 0.000 1.259 81 T HN 0.790 nan 8.240 nan 0.000 0.520 82 T N 0.087 114.657 114.554 0.027 0.000 2.754 82 T HA 0.274 4.647 4.350 0.038 0.000 0.286 82 T C 0.953 175.669 174.700 0.027 0.000 0.997 82 T CA -0.568 61.557 62.100 0.042 0.000 0.982 82 T CB 0.046 68.981 68.868 0.110 0.000 1.027 82 T HN 0.556 nan 8.240 nan 0.000 0.529 83 N N 0.447 119.165 118.700 0.031 0.000 2.459 83 N HA -0.049 4.714 4.740 0.038 0.000 0.181 83 N C 1.540 177.067 175.510 0.028 0.000 1.046 83 N CA 0.498 53.559 53.050 0.018 0.000 0.904 83 N CB -0.133 38.372 38.487 0.030 0.000 0.964 83 N HN 0.562 nan 8.380 nan 0.000 0.444 84 Q N -0.516 119.312 119.800 0.046 0.000 2.403 84 Q HA 0.199 4.562 4.340 0.038 0.000 0.203 84 Q C 0.869 176.888 176.000 0.031 0.000 0.932 84 Q CA 0.253 56.078 55.803 0.037 0.000 0.945 84 Q CB 0.425 29.188 28.738 0.041 0.000 1.045 84 Q HN 0.407 nan 8.270 nan 0.000 0.511 85 G N 0.223 109.041 108.800 0.030 0.000 2.157 85 G HA2 -0.230 3.753 3.960 0.038 0.000 0.239 85 G HA3 -0.230 3.753 3.960 0.038 0.000 0.239 85 G C 0.084 175.008 174.900 0.041 0.000 0.982 85 G CA 0.097 45.211 45.100 0.024 0.000 0.650 85 G HN 0.216 nan 8.290 nan 0.000 0.527 86 V N 1.950 121.903 119.914 0.065 0.000 2.432 86 V HA 0.404 4.547 4.120 0.038 0.000 0.275 86 V C 1.231 177.364 176.094 0.065 0.000 1.043 86 V CA -0.688 61.662 62.300 0.084 0.000 0.925 86 V CB 1.226 33.140 31.823 0.150 0.000 0.985 86 V HN 0.380 nan 8.190 nan 0.000 0.466 87 R N 4.388 124.920 120.500 0.053 0.000 2.537 87 R HA 0.343 4.706 4.340 0.038 0.000 0.280 87 R C -0.517 175.797 176.300 0.024 0.000 1.058 87 R CA -0.009 56.113 56.100 0.037 0.000 1.057 87 R CB 0.466 30.788 30.300 0.035 0.000 0.973 87 R HN 0.578 nan 8.270 nan 0.000 0.438 88 I N 2.044 122.618 120.570 0.006 0.000 2.353 88 I HA 0.126 4.319 4.170 0.038 0.000 0.293 88 I C 0.959 177.067 176.117 -0.015 0.000 0.992 88 I CA 0.000 61.289 61.300 -0.019 0.000 1.268 88 I CB 1.865 39.846 38.000 -0.033 0.000 1.387 88 I HN 0.763 nan 8.210 nan 0.000 0.478 89 A N 4.002 126.809 122.820 -0.022 0.000 1.924 89 A HA 0.046 4.389 4.320 0.038 0.000 0.211 89 A C 0.569 178.139 177.584 -0.023 0.000 1.198 89 A CA 0.775 52.803 52.037 -0.016 0.000 0.657 89 A CB 0.115 19.108 19.000 -0.012 0.000 0.852 89 A HN 0.683 nan 8.150 nan 0.000 0.454 90 D N -0.600 119.779 120.400 -0.035 0.000 2.473 90 D HA 0.333 4.996 4.640 0.038 0.000 0.253 90 D C -1.377 174.894 176.300 -0.049 0.000 1.233 90 D CA -0.345 53.632 54.000 -0.038 0.000 0.908 90 D CB 1.384 42.162 40.800 -0.037 0.000 1.170 90 D HN 0.025 nan 8.370 nan 0.000 0.558 91 D N 2.070 122.444 120.400 -0.043 0.000 2.358 91 D HA 0.051 4.714 4.640 0.038 0.000 0.224 91 D C 0.668 176.938 176.300 -0.049 0.000 1.123 91 D CA 0.300 54.271 54.000 -0.049 0.000 0.833 91 D CB 0.543 41.318 40.800 -0.041 0.000 0.946 91 D HN 0.258 nan 8.370 nan 0.000 0.505 92 Q N -0.707 119.065 119.800 -0.045 0.000 2.280 92 Q HA 0.251 4.614 4.340 0.038 0.000 0.228 92 Q C -0.058 175.914 176.000 -0.045 0.000 0.857 92 Q CA 0.226 56.003 55.803 -0.044 0.000 0.939 92 Q CB 0.745 29.461 28.738 -0.036 0.000 1.114 92 Q HN 0.196 nan 8.270 nan 0.000 0.514 93 N N 0.050 118.722 118.700 -0.048 0.000 2.357 93 N HA 0.343 5.106 4.740 0.038 0.000 0.284 93 N C -0.962 174.516 175.510 -0.053 0.000 1.236 93 N CA -0.324 52.699 53.050 -0.045 0.000 0.774 93 N CB 2.042 40.507 38.487 -0.037 0.000 1.534 93 N HN -0.191 nan 8.380 nan 0.000 0.478 94 S N 0.685 116.357 115.700 -0.046 0.000 2.610 94 S HA 0.315 4.808 4.470 0.038 0.000 0.273 94 S C 0.024 174.599 174.600 -0.042 0.000 1.274 94 S CA -0.603 57.569 58.200 -0.047 0.000 1.023 94 S CB 0.801 63.980 63.200 -0.036 0.000 0.962 94 S HN 0.377 nan 8.310 nan 0.000 0.523 95 L N 4.200 125.397 121.223 -0.044 0.000 2.410 95 L HA 0.332 4.695 4.340 0.038 0.000 0.273 95 L C 0.068 176.928 176.870 -0.017 0.000 1.144 95 L CA 0.600 55.422 54.840 -0.030 0.000 0.863 95 L CB -0.205 41.837 42.059 -0.029 0.000 1.140 95 L HN 0.662 nan 8.230 nan 0.000 0.463 96 R N 4.314 124.807 120.500 -0.012 0.000 2.837 96 R HA 0.839 5.202 4.340 0.038 0.000 0.271 96 R C -0.955 175.343 176.300 -0.003 0.000 0.993 96 R CA -0.818 55.278 56.100 -0.007 0.000 0.931 96 R CB 1.112 31.407 30.300 -0.009 0.000 1.206 96 R HN 0.611 nan 8.270 nan 0.000 0.474 97 A N 1.389 124.209 122.820 -0.000 0.000 2.807 97 A HA 0.571 4.914 4.320 0.038 0.000 0.307 97 A C 0.540 178.124 177.584 -0.000 0.000 1.532 97 A CA 0.312 52.349 52.037 0.002 0.000 1.215 97 A CB -0.921 18.081 19.000 0.004 0.000 1.127 97 A HN 1.130 nan 8.150 nan 0.000 0.543 98 G N 0.964 109.763 108.800 -0.002 0.000 2.712 98 G HA2 0.057 4.040 3.960 0.038 0.000 0.686 98 G HA3 0.057 4.040 3.960 0.038 0.000 0.686 98 G C 0.633 175.530 174.900 -0.005 0.000 1.181 98 G CA 0.064 45.163 45.100 -0.003 0.000 0.762 98 G HN 1.722 nan 8.290 nan 0.000 0.641 99 S N -0.005 115.691 115.700 -0.006 0.000 2.474 99 S HA -0.004 4.489 4.470 0.038 0.000 0.235 99 S C 1.571 176.166 174.600 -0.008 0.000 0.997 99 S CA 1.369 59.564 58.200 -0.008 0.000 0.949 99 S CB 0.094 63.289 63.200 -0.009 0.000 0.766 99 S HN 0.728 nan 8.310 nan 0.000 0.517 100 R N 1.052 121.548 120.500 -0.007 0.000 2.586 100 R HA 0.340 4.703 4.340 0.038 0.000 0.336 100 R C 0.873 177.170 176.300 -0.005 0.000 1.060 100 R CA 0.012 56.109 56.100 -0.006 0.000 1.079 100 R CB 0.686 30.983 30.300 -0.005 0.000 1.317 100 R HN 0.458 nan 8.270 nan 0.000 0.568 101 G N 1.552 110.349 108.800 -0.005 0.000 2.557 101 G HA2 0.371 4.354 3.960 0.038 0.000 0.302 101 G HA3 0.371 4.354 3.960 0.038 0.000 0.302 101 G C -2.371 172.527 174.900 -0.003 0.000 1.311 101 G CA -1.078 44.020 45.100 -0.003 0.000 1.030 101 G HN -0.082 nan 8.290 nan 0.000 0.509 102 P HA 0.202 nan 4.420 nan 0.000 0.275 102 P C -0.077 177.223 177.300 -0.000 0.000 1.227 102 P CA -0.065 63.035 63.100 -0.000 0.000 0.781 102 P CB 0.679 32.381 31.700 0.003 0.000 0.906 103 T N 3.101 117.655 114.554 -0.001 0.000 2.916 103 T HA 0.164 4.537 4.350 0.038 0.000 0.303 103 T C 0.545 175.248 174.700 0.005 0.000 1.025 103 T CA 0.014 62.113 62.100 -0.002 0.000 1.142 103 T CB -0.096 68.770 68.868 -0.004 0.000 0.947 103 T HN 0.186 nan 8.240 nan 0.000 0.544 104 L N 4.043 125.270 121.223 0.007 0.000 2.312 104 L HA 0.263 4.626 4.340 0.038 0.000 0.281 104 L C 1.454 178.339 176.870 0.024 0.000 1.070 104 L CA -0.724 54.126 54.840 0.016 0.000 0.805 104 L CB 0.856 42.925 42.059 0.017 0.000 1.174 104 L HN 0.535 nan 8.230 nan 0.000 0.434 105 L N 2.882 124.123 121.223 0.031 0.000 2.191 105 L HA -0.193 4.170 4.340 0.038 0.000 0.212 105 L C 2.334 179.241 176.870 0.061 0.000 1.103 105 L CA 1.669 56.534 54.840 0.041 0.000 0.769 105 L CB -0.562 41.520 42.059 0.037 0.000 0.908 105 L HN 0.795 nan 8.230 nan 0.000 0.438 106 E N -1.395 118.846 120.200 0.068 0.000 2.516 106 E HA -0.186 4.187 4.350 0.038 0.000 0.199 106 E C 0.252 176.943 176.600 0.151 0.000 1.069 106 E CA 0.318 56.784 56.400 0.110 0.000 0.876 106 E CB -0.522 29.236 29.700 0.097 0.000 0.843 106 E HN 0.398 nan 8.360 nan 0.000 0.530 107 D N 1.096 121.539 120.400 0.073 0.000 2.416 107 D HA -0.052 4.611 4.640 0.038 0.000 0.240 107 D C 0.496 176.805 176.300 0.015 0.000 1.250 107 D CA -0.473 53.524 54.000 -0.006 0.000 0.967 107 D CB -0.033 40.734 40.800 -0.054 0.000 1.059 107 D HN 0.275 nan 8.370 nan 0.000 0.512 108 F N 2.518 122.476 119.950 0.014 0.000 2.325 108 F HA 0.053 4.603 4.527 0.038 0.000 0.299 108 F C 1.713 177.525 175.800 0.020 0.000 1.090 108 F CA 0.140 58.151 58.000 0.018 0.000 1.392 108 F CB -0.726 38.284 39.000 0.016 0.000 1.053 108 F HN 0.218 nan 8.300 nan 0.000 0.521 109 I N 0.473 120.649 120.570 -0.657 0.000 2.163 109 I HA -0.235 3.958 4.170 0.038 0.000 0.240 109 I C 2.528 178.548 176.117 -0.162 0.000 1.081 109 I CA 1.275 62.315 61.300 -0.433 0.000 1.353 109 I CB -0.500 37.182 38.000 -0.530 0.000 1.054 109 I HN 0.277 nan 8.210 nan 0.000 0.407 110 L N 0.985 122.125 121.223 -0.138 0.000 2.012 110 L HA -0.211 4.152 4.340 0.038 0.000 0.210 110 L C 2.620 179.486 176.870 -0.006 0.000 1.073 110 L CA 1.861 56.663 54.840 -0.064 0.000 0.748 110 L CB -0.537 41.489 42.059 -0.056 0.000 0.891 110 L HN 0.059 nan 8.230 nan 0.000 0.431 111 R N -0.613 119.900 120.500 0.021 0.000 2.120 111 R HA -0.176 4.187 4.340 0.038 0.000 0.234 111 R C 2.273 178.629 176.300 0.094 0.000 1.123 111 R CA 1.468 57.608 56.100 0.067 0.000 0.975 111 R CB -0.353 29.998 30.300 0.085 0.000 0.866 111 R HN 0.607 nan 8.270 nan 0.000 0.446 112 E N 1.200 121.457 120.200 0.095 0.000 2.046 112 E HA -0.202 4.171 4.350 0.038 0.000 0.190 112 E C 1.918 178.592 176.600 0.124 0.000 0.982 112 E CA 1.026 57.498 56.400 0.120 0.000 0.800 112 E CB 0.129 29.904 29.700 0.125 0.000 0.756 112 E HN 0.131 nan 8.360 nan 0.000 0.449 113 K N 0.312 120.757 120.400 0.075 0.000 2.057 113 K HA -0.143 4.200 4.320 0.038 0.000 0.207 113 K C 2.078 178.750 176.600 0.121 0.000 1.049 113 K CA 1.295 57.625 56.287 0.071 0.000 0.931 113 K CB -0.002 32.500 32.500 0.003 0.000 0.714 113 K HN 0.153 nan 8.250 nan 0.000 0.440 114 I N 1.134 121.764 120.570 0.100 0.000 2.353 114 I HA -0.158 4.035 4.170 0.038 0.000 0.248 114 I C 2.133 178.377 176.117 0.211 0.000 1.119 114 I CA 1.250 62.634 61.300 0.140 0.000 1.417 114 I CB -1.551 36.501 38.000 0.086 0.000 1.078 114 I HN 0.174 nan 8.210 nan 0.000 0.421 115 T N -0.106 114.564 114.554 0.192 0.000 2.746 115 T HA -0.219 4.154 4.350 0.038 0.000 0.267 115 T C 1.963 176.836 174.700 0.289 0.000 1.039 115 T CA 1.475 63.718 62.100 0.239 0.000 1.142 115 T CB -0.442 68.547 68.868 0.201 0.000 0.866 115 T HN 0.346 nan 8.240 nan 0.000 0.444 116 H N -0.071 119.103 119.070 0.175 0.000 2.353 116 H HA -0.056 4.523 4.556 0.039 0.000 0.300 116 H C 2.185 177.594 175.328 0.135 0.000 1.090 116 H CA 1.527 57.662 56.048 0.145 0.000 1.327 116 H CB -0.410 29.410 29.762 0.097 0.000 1.383 116 H HN 0.399 nan 8.280 nan 0.000 0.508 117 F N 2.086 122.121 119.950 0.142 0.000 2.126 117 F HA -0.205 4.346 4.527 0.041 0.000 0.299 117 F C 1.994 177.766 175.800 -0.047 0.000 1.096 117 F CA 1.756 59.783 58.000 0.044 0.000 1.255 117 F CB -0.289 38.726 39.000 0.024 0.000 0.997 117 F HN 0.067 nan 8.300 nan 0.000 0.479 118 D N -1.050 119.304 120.400 -0.076 0.000 2.218 118 D HA -0.164 4.499 4.640 0.038 0.000 0.204 118 D C 1.333 177.248 176.300 -0.642 0.000 0.976 118 D CA 1.288 55.063 54.000 -0.375 0.000 0.853 118 D CB -0.478 40.132 40.800 -0.318 0.000 0.939 118 D HN 0.517 nan 8.370 nan 0.000 0.481 119 H N -0.011 118.948 119.070 -0.185 0.000 2.487 119 H HA 0.211 4.789 4.556 0.037 0.000 0.290 119 H C 1.045 176.225 175.328 -0.247 0.000 1.081 119 H CA -0.046 55.886 56.048 -0.194 0.000 1.116 119 H CB 0.498 30.156 29.762 -0.173 0.000 1.560 119 H HN 0.296 nan 8.280 nan 0.000 0.548 120 E N 0.786 120.835 120.200 -0.251 0.000 2.106 120 E HA -0.049 4.324 4.350 0.038 0.000 0.192 120 E C 0.625 177.108 176.600 -0.195 0.000 0.984 120 E CA 0.548 56.791 56.400 -0.262 0.000 0.806 120 E CB 0.411 29.938 29.700 -0.288 0.000 0.750 120 E HN 0.219 nan 8.360 nan 0.000 0.458 121 R N 1.244 121.666 120.500 -0.129 0.000 2.531 121 R HA 0.346 4.709 4.340 0.038 0.000 0.273 121 R C 0.523 176.860 176.300 0.062 0.000 1.070 121 R CA -0.131 55.962 56.100 -0.011 0.000 1.112 121 R CB 0.661 30.942 30.300 -0.032 0.000 1.049 121 R HN 0.174 nan 8.270 nan 0.000 0.508 122 I N -1.379 119.277 120.570 0.144 0.000 3.002 122 I HA 0.575 4.768 4.170 0.038 0.000 0.310 122 I C -2.354 173.812 176.117 0.082 0.000 1.087 122 I CA -2.976 58.394 61.300 0.117 0.000 1.017 122 I CB 1.978 40.069 38.000 0.152 0.000 1.226 122 I HN 0.250 nan 8.210 nan 0.000 0.443 123 P HA 0.155 nan 4.420 nan 0.000 0.268 123 P C -0.911 176.411 177.300 0.037 0.000 1.205 123 P CA -0.103 63.017 63.100 0.033 0.000 0.771 123 P CB 0.457 32.168 31.700 0.017 0.000 0.858 124 E N 2.401 122.626 120.200 0.042 0.000 2.369 124 E HA 0.228 4.601 4.350 0.038 0.000 0.255 124 E C -0.422 176.199 176.600 0.036 0.000 1.172 124 E CA -0.866 55.564 56.400 0.050 0.000 0.932 124 E CB 0.547 30.283 29.700 0.059 0.000 1.040 124 E HN 0.261 nan 8.360 nan 0.000 0.454 125 R N 0.387 120.914 120.500 0.046 0.000 2.623 125 R HA 0.040 4.403 4.340 0.038 0.000 0.271 125 R C 1.168 177.497 176.300 0.047 0.000 1.043 125 R CA 0.087 56.210 56.100 0.039 0.000 1.083 125 R CB 0.233 30.574 30.300 0.068 0.000 0.974 125 R HN 0.671 nan 8.270 nan 0.000 0.436 126 I N 2.499 123.090 120.570 0.035 0.000 2.361 126 I HA -0.157 4.036 4.170 0.038 0.000 0.251 126 I C 0.242 176.404 176.117 0.075 0.000 1.133 126 I CA 1.088 62.417 61.300 0.048 0.000 1.413 126 I CB 0.462 38.487 38.000 0.042 0.000 1.073 126 I HN 0.348 nan 8.210 nan 0.000 0.424 127 V N -2.774 117.213 119.914 0.122 0.000 3.040 127 V HA 0.484 4.627 4.120 0.038 0.000 0.312 127 V C -0.005 176.236 176.094 0.245 0.000 1.115 127 V CA -0.802 61.591 62.300 0.155 0.000 0.998 127 V CB 1.299 33.278 31.823 0.259 0.000 1.042 127 V HN 0.385 nan 8.190 nan 0.000 0.433 128 H N 0.567 119.711 119.070 0.123 0.000 2.839 128 H HA -0.207 4.368 4.556 0.032 0.000 0.298 128 H C 1.446 176.826 175.328 0.086 0.000 1.224 128 H CA 0.843 56.959 56.048 0.115 0.000 1.144 128 H CB -1.160 28.671 29.762 0.115 0.000 1.372 128 H HN 1.170 nan 8.280 nan 0.000 0.408 129 A N 0.603 123.513 122.820 0.151 0.000 2.066 129 A HA -0.040 4.303 4.320 0.038 0.000 0.218 129 A C 1.629 179.300 177.584 0.146 0.000 1.157 129 A CA 1.058 53.172 52.037 0.128 0.000 0.670 129 A CB 0.039 19.092 19.000 0.089 0.000 0.804 129 A HN 0.266 nan 8.150 nan 0.000 0.453 130 R N 0.069 120.659 120.500 0.150 0.000 2.207 130 R HA 0.535 4.898 4.340 0.038 0.000 0.334 130 R C -0.190 176.235 176.300 0.207 0.000 1.013 130 R CA 0.684 56.889 56.100 0.174 0.000 0.858 130 R CB 0.508 30.895 30.300 0.144 0.000 1.094 130 R HN 0.293 nan 8.270 nan 0.000 0.457 131 G N 0.847 109.791 108.800 0.240 0.000 2.673 131 G HA2 0.483 4.466 3.960 0.038 0.000 0.292 131 G HA3 0.483 4.466 3.960 0.038 0.000 0.292 131 G C -1.648 173.405 174.900 0.255 0.000 1.450 131 G CA -0.633 44.581 45.100 0.189 0.000 0.837 131 G HN 0.488 nan 8.290 nan 0.000 0.505 132 S N -0.887 114.908 115.700 0.158 0.000 2.557 132 S HA 0.868 5.361 4.470 0.038 0.000 0.291 132 S C -0.073 174.528 174.600 0.001 0.000 1.116 132 S CA -0.140 58.200 58.200 0.234 0.000 0.992 132 S CB 1.663 65.099 63.200 0.393 0.000 1.028 132 S HN 1.511 nan 8.310 nan 0.000 0.484 133 A N 1.826 124.603 122.820 -0.072 0.000 2.423 133 A HA 1.037 5.380 4.320 0.038 0.000 0.304 133 A C -0.762 176.616 177.584 -0.343 0.000 1.104 133 A CA -0.760 51.036 52.037 -0.402 0.000 0.757 133 A CB 1.607 20.231 19.000 -0.626 0.000 1.313 133 A HN 1.292 nan 8.150 nan 0.000 0.423 134 A N 0.385 122.854 122.820 -0.585 0.000 2.606 134 A HA 0.707 5.050 4.320 0.038 0.000 0.293 134 A C -0.966 176.389 177.584 -0.383 0.000 1.082 134 A CA -0.662 51.178 52.037 -0.328 0.000 0.685 134 A CB 0.680 19.579 19.000 -0.168 0.000 1.284 134 A HN 0.882 nan 8.150 nan 0.000 0.408 135 H N -0.420 118.637 119.070 -0.021 0.000 2.508 135 H HA 0.690 5.269 4.556 0.040 0.000 0.358 135 H C 0.704 176.009 175.328 -0.038 0.000 1.212 135 H CA 1.011 57.105 56.048 0.077 0.000 1.356 135 H CB 1.732 31.553 29.762 0.099 0.000 1.525 135 H HN 1.190 nan 8.280 nan 0.000 0.578 136 G N 0.016 108.897 108.800 0.136 0.000 2.435 136 G HA2 0.330 4.313 3.960 0.038 0.000 0.296 136 G HA3 0.330 4.313 3.960 0.038 0.000 0.296 136 G C -2.105 172.898 174.900 0.172 0.000 1.240 136 G CA -0.549 44.581 45.100 0.052 0.000 0.872 136 G HN 0.636 nan 8.290 nan 0.000 0.480 137 Y N -1.606 118.734 120.300 0.067 0.000 2.597 137 Y HA 0.834 5.407 4.550 0.038 0.000 0.340 137 Y C -1.737 174.300 175.900 0.229 0.000 1.097 137 Y CA -2.094 56.090 58.100 0.140 0.000 1.037 137 Y CB 1.720 40.240 38.460 0.100 0.000 1.305 137 Y HN 0.836 nan 8.280 nan 0.000 0.463 138 F N 2.335 122.442 119.950 0.262 0.000 2.522 138 F HA 0.712 5.263 4.527 0.041 0.000 0.324 138 F C -1.037 175.004 175.800 0.402 0.000 1.077 138 F CA -0.580 57.596 58.000 0.293 0.000 0.944 138 F CB 2.183 41.467 39.000 0.473 0.000 1.175 138 F HN 0.771 nan 8.300 nan 0.000 0.468 139 Q N 6.314 125.654 119.800 -0.767 0.000 2.284 139 Q HA 0.445 4.808 4.340 0.038 0.000 0.269 139 Q C -2.825 172.631 176.000 -0.907 0.000 1.026 139 Q CA -2.381 53.127 55.803 -0.492 0.000 0.831 139 Q CB 2.998 31.726 28.738 -0.016 0.000 1.322 139 Q HN 0.344 nan 8.270 nan 0.000 0.419 140 P HA 0.074 nan 4.420 nan 0.000 0.276 140 P C -0.544 176.727 177.300 -0.048 0.000 1.252 140 P CA 0.103 63.034 63.100 -0.282 0.000 0.802 140 P CB 0.504 32.193 31.700 -0.019 0.000 1.035 141 Y N 0.123 120.373 120.300 -0.084 0.000 2.490 141 Y HA 0.023 4.596 4.550 0.040 0.000 0.285 141 Y C 1.188 177.066 175.900 -0.037 0.000 1.117 141 Y CA 0.079 58.147 58.100 -0.053 0.000 1.262 141 Y CB 0.404 38.838 38.460 -0.044 0.000 1.043 141 Y HN 0.380 nan 8.280 nan 0.000 0.553 142 K N -1.614 118.859 120.400 0.122 0.000 2.672 142 K HA 0.276 4.619 4.320 0.038 0.000 0.295 142 K C -1.175 175.439 176.600 0.023 0.000 1.042 142 K CA -0.883 55.441 56.287 0.060 0.000 0.869 142 K CB 1.085 33.618 32.500 0.055 0.000 1.541 142 K HN -0.272 nan 8.250 nan 0.000 0.396 143 S N 0.359 116.068 115.700 0.014 0.000 2.531 143 S HA 0.292 4.785 4.470 0.038 0.000 0.279 143 S C 0.085 174.679 174.600 -0.010 0.000 1.305 143 S CA -0.705 57.495 58.200 0.000 0.000 1.058 143 S CB -0.124 63.078 63.200 0.003 0.000 0.899 143 S HN 0.515 nan 8.310 nan 0.000 0.493 144 L N 4.659 125.867 121.223 -0.025 0.000 3.017 144 L HA 0.169 4.532 4.340 0.038 0.000 0.255 144 L C 1.920 178.777 176.870 -0.022 0.000 1.247 144 L CA -0.135 54.694 54.840 -0.018 0.000 1.038 144 L CB 0.082 42.132 42.059 -0.016 0.000 1.380 144 L HN 0.831 nan 8.230 nan 0.000 0.548 145 S N -1.847 113.839 115.700 -0.024 0.000 2.440 145 S HA -0.188 4.305 4.470 0.038 0.000 0.238 145 S C 1.340 175.925 174.600 -0.025 0.000 1.010 145 S CA 1.161 59.346 58.200 -0.026 0.000 0.972 145 S CB -0.127 63.062 63.200 -0.018 0.000 0.774 145 S HN 0.389 nan 8.310 nan 0.000 0.501 146 D N 2.025 122.415 120.400 -0.018 0.000 2.178 146 D HA 0.012 4.675 4.640 0.038 0.000 0.202 146 D C 1.865 178.148 176.300 -0.029 0.000 0.974 146 D CA 1.481 55.470 54.000 -0.019 0.000 0.841 146 D CB -0.177 40.617 40.800 -0.009 0.000 0.953 146 D HN 0.793 nan 8.370 nan 0.000 0.478 147 I N -3.980 116.575 120.570 -0.026 0.000 3.939 147 I HA 0.204 4.397 4.170 0.038 0.000 0.313 147 I C 0.684 176.759 176.117 -0.071 0.000 1.274 147 I CA 0.039 61.313 61.300 -0.043 0.000 1.301 147 I CB 0.968 38.959 38.000 -0.015 0.000 1.105 147 I HN -0.245 nan 8.210 nan 0.000 0.427 148 T N 1.239 115.756 114.554 -0.062 0.000 2.900 148 T HA 0.360 4.733 4.350 0.038 0.000 0.303 148 T C -0.052 174.600 174.700 -0.081 0.000 1.142 148 T CA -0.716 61.330 62.100 -0.090 0.000 1.007 148 T CB 1.886 70.689 68.868 -0.108 0.000 1.156 148 T HN 0.415 nan 8.240 nan 0.000 0.490 149 K N 1.909 122.259 120.400 -0.085 0.000 2.387 149 K HA 0.580 4.923 4.320 0.038 0.000 0.198 149 K C 0.712 177.278 176.600 -0.057 0.000 1.022 149 K CA -0.326 55.923 56.287 -0.063 0.000 1.128 149 K CB 0.285 32.752 32.500 -0.055 0.000 0.853 149 K HN 0.498 nan 8.250 nan 0.000 0.523 150 A N 2.271 125.038 122.820 -0.088 0.000 2.545 150 A HA -0.070 4.273 4.320 0.038 0.000 0.253 150 A C 0.587 178.146 177.584 -0.042 0.000 1.074 150 A CA 0.217 52.215 52.037 -0.065 0.000 0.760 150 A CB 0.001 18.913 19.000 -0.146 0.000 1.005 150 A HN 0.486 nan 8.150 nan 0.000 0.506 151 D N 2.278 122.718 120.400 0.067 0.000 2.144 151 D HA -0.233 4.430 4.640 0.038 0.000 0.199 151 D C 1.359 177.737 176.300 0.130 0.000 0.984 151 D CA 2.195 56.248 54.000 0.089 0.000 0.834 151 D CB -0.243 40.629 40.800 0.120 0.000 0.955 151 D HN 0.741 nan 8.370 nan 0.000 0.465 152 F N -0.511 119.468 119.950 0.047 0.000 2.546 152 F HA 0.125 4.676 4.527 0.040 0.000 0.298 152 F C 1.065 176.958 175.800 0.155 0.000 1.120 152 F CA 0.438 58.507 58.000 0.116 0.000 1.456 152 F CB -0.237 38.836 39.000 0.123 0.000 1.088 152 F HN -0.052 nan 8.300 nan 0.000 0.572 153 L N 0.882 121.804 121.223 -0.501 0.000 2.818 153 L HA 0.193 4.556 4.340 0.038 0.000 0.243 153 L C 1.794 178.582 176.870 -0.136 0.000 1.185 153 L CA 0.344 54.952 54.840 -0.386 0.000 0.988 153 L CB -0.113 41.619 42.059 -0.545 0.000 1.292 153 L HN 0.360 nan 8.230 nan 0.000 0.519 154 S N -2.617 113.048 115.700 -0.058 0.000 2.535 154 S HA 0.080 4.573 4.470 0.038 0.000 0.214 154 S C 0.270 174.875 174.600 0.009 0.000 0.980 154 S CA -0.239 57.950 58.200 -0.020 0.000 0.907 154 S CB 0.226 63.425 63.200 -0.002 0.000 0.790 154 S HN 0.331 nan 8.310 nan 0.000 0.510 155 D N 0.709 121.126 120.400 0.028 0.000 2.931 155 D HA 0.315 4.978 4.640 0.038 0.000 0.215 155 D C -2.534 173.794 176.300 0.048 0.000 1.297 155 D CA -1.712 52.310 54.000 0.037 0.000 0.892 155 D CB 2.116 42.943 40.800 0.044 0.000 1.642 155 D HN -0.150 nan 8.370 nan 0.000 0.560 156 P HA -0.062 nan 4.420 nan 0.000 0.225 156 P C 0.167 177.496 177.300 0.049 0.000 1.148 156 P CA 0.861 63.989 63.100 0.047 0.000 0.779 156 P CB 0.228 31.960 31.700 0.053 0.000 0.780 157 N N -0.759 117.969 118.700 0.047 0.000 2.270 157 N HA 0.032 4.795 4.740 0.038 0.000 0.198 157 N C 0.572 176.119 175.510 0.061 0.000 1.117 157 N CA -0.169 52.908 53.050 0.045 0.000 0.845 157 N CB 0.053 38.560 38.487 0.033 0.000 0.980 157 N HN 0.109 nan 8.380 nan 0.000 0.486 158 K N 1.856 122.307 120.400 0.086 0.000 2.262 158 K HA 0.295 4.638 4.320 0.038 0.000 0.282 158 K C -0.872 175.830 176.600 0.170 0.000 1.066 158 K CA -0.282 56.078 56.287 0.122 0.000 0.901 158 K CB 0.526 33.107 32.500 0.135 0.000 1.089 158 K HN -0.004 nan 8.250 nan 0.000 0.476 159 I N 3.421 124.086 120.570 0.157 0.000 2.365 159 I HA 0.147 4.340 4.170 0.038 0.000 0.291 159 I C -0.123 176.169 176.117 0.292 0.000 1.004 159 I CA -0.340 61.082 61.300 0.202 0.000 1.311 159 I CB 1.955 40.002 38.000 0.078 0.000 1.401 159 I HN 0.556 nan 8.210 nan 0.000 0.491 160 T N 7.284 122.099 114.554 0.435 0.000 2.786 160 T HA 0.366 4.739 4.350 0.038 0.000 0.283 160 T C -2.499 172.453 174.700 0.419 0.000 0.992 160 T CA -1.367 61.003 62.100 0.449 0.000 0.954 160 T CB 1.559 70.791 68.868 0.606 0.000 0.934 160 T HN 0.237 nan 8.240 nan 0.000 0.440 161 P HA 0.306 nan 4.420 nan 0.000 0.269 161 P C -0.738 176.804 177.300 0.403 0.000 1.209 161 P CA -0.391 62.892 63.100 0.305 0.000 0.776 161 P CB 0.566 32.354 31.700 0.147 0.000 0.876 162 V N -0.262 119.844 119.914 0.321 0.000 3.159 162 V HA 0.769 4.912 4.120 0.038 0.000 0.308 162 V C -1.673 174.586 176.094 0.275 0.000 1.190 162 V CA -0.962 61.437 62.300 0.165 0.000 1.037 162 V CB 2.342 34.045 31.823 -0.201 0.000 1.060 162 V HN 0.351 nan 8.190 nan 0.000 0.437 163 F N 2.150 122.081 119.950 -0.031 0.000 2.617 163 F HA 0.831 5.379 4.527 0.035 0.000 0.325 163 F C -1.101 174.603 175.800 -0.160 0.000 1.179 163 F CA -0.587 57.342 58.000 -0.119 0.000 0.965 163 F CB 1.897 40.847 39.000 -0.082 0.000 1.232 163 F HN 0.559 nan 8.300 nan 0.000 0.461 164 V N 6.541 126.000 119.914 -0.757 0.000 2.495 164 V HA 0.585 4.728 4.120 0.038 0.000 0.298 164 V C -0.608 174.834 176.094 -1.087 0.000 1.031 164 V CA -0.827 60.966 62.300 -0.846 0.000 0.871 164 V CB 1.956 33.238 31.823 -0.902 0.000 0.988 164 V HN 0.733 nan 8.190 nan 0.000 0.432 165 R N 3.527 123.391 120.500 -1.060 0.000 2.437 165 R HA 0.640 5.003 4.340 0.038 0.000 0.310 165 R C -1.719 173.972 176.300 -1.015 0.000 0.955 165 R CA -0.430 55.136 56.100 -0.890 0.000 0.851 165 R CB 1.188 31.150 30.300 -0.564 0.000 1.161 165 R HN 0.532 nan 8.270 nan 0.000 0.446 166 F N 2.128 121.682 119.950 -0.660 0.000 2.458 166 F HA 0.534 5.085 4.527 0.039 0.000 0.330 166 F C 0.463 175.920 175.800 -0.570 0.000 1.082 166 F CA -0.235 57.259 58.000 -0.844 0.000 0.995 166 F CB 2.183 40.211 39.000 -1.621 0.000 1.170 166 F HN 0.668 nan 8.300 nan 0.000 0.478 167 S N -0.787 114.854 115.700 -0.097 0.000 2.688 167 S HA 0.714 5.207 4.470 0.038 0.000 0.275 167 S C -0.592 174.177 174.600 0.282 0.000 1.175 167 S CA -0.756 57.530 58.200 0.142 0.000 0.818 167 S CB 1.419 64.743 63.200 0.206 0.000 1.157 167 S HN 0.707 nan 8.310 nan 0.000 0.482 168 T N -1.703 113.005 114.554 0.257 0.000 2.888 168 T HA 0.706 5.079 4.350 0.038 0.000 0.283 168 T C 0.822 175.512 174.700 -0.017 0.000 1.013 168 T CA -0.174 62.027 62.100 0.169 0.000 0.938 168 T CB 0.569 69.526 68.868 0.147 0.000 1.298 168 T HN 0.614 nan 8.240 nan 0.000 0.580 169 V N -0.121 119.712 119.914 -0.135 0.000 2.854 169 V HA 0.096 4.239 4.120 0.038 0.000 0.236 169 V C 2.793 178.790 176.094 -0.161 0.000 1.157 169 V CA 0.370 62.458 62.300 -0.354 0.000 1.187 169 V CB -0.498 31.188 31.823 -0.228 0.000 0.949 169 V HN 0.858 nan 8.190 nan 0.000 0.488 170 Q N 1.049 120.790 119.800 -0.097 0.000 2.033 170 Q HA 0.050 4.413 4.340 0.038 0.000 0.196 170 Q C 1.364 177.332 176.000 -0.054 0.000 0.970 170 Q CA 1.481 57.230 55.803 -0.089 0.000 0.828 170 Q CB -0.448 28.221 28.738 -0.115 0.000 0.895 170 Q HN 0.586 nan 8.270 nan 0.000 0.440 171 G N -0.287 108.496 108.800 -0.028 0.000 2.667 171 G HA2 0.344 4.327 3.960 0.038 0.000 0.250 171 G HA3 0.344 4.327 3.960 0.038 0.000 0.250 171 G C 0.180 175.083 174.900 0.006 0.000 1.212 171 G CA 0.078 45.169 45.100 -0.015 0.000 0.874 171 G HN 0.373 nan 8.290 nan 0.000 0.561 172 G N -1.456 107.347 108.800 0.004 0.000 2.563 172 G HA2 0.494 4.477 3.960 0.038 0.000 0.283 172 G HA3 0.494 4.477 3.960 0.038 0.000 0.283 172 G C 1.307 176.234 174.900 0.045 0.000 1.309 172 G CA 0.476 45.588 45.100 0.020 0.000 1.022 172 G HN 1.037 nan 8.290 nan 0.000 0.501 173 A N -1.011 121.844 122.820 0.058 0.000 1.972 173 A HA 0.126 4.469 4.320 0.038 0.000 0.219 173 A C 2.289 179.907 177.584 0.055 0.000 1.169 173 A CA 2.067 54.155 52.037 0.084 0.000 0.635 173 A CB -0.541 18.523 19.000 0.108 0.000 0.810 173 A HN 1.062 nan 8.150 nan 0.000 0.446 174 G N -0.204 108.611 108.800 0.026 0.000 3.042 174 G HA2 0.288 4.271 3.960 0.038 0.000 0.212 174 G HA3 0.288 4.271 3.960 0.038 0.000 0.212 174 G C 0.811 175.712 174.900 0.002 0.000 1.166 174 G CA 0.674 45.777 45.100 0.005 0.000 0.767 174 G HN 0.677 nan 8.290 nan 0.000 0.546 175 S N -0.092 115.615 115.700 0.012 0.000 2.617 175 S HA 0.685 5.178 4.470 0.038 0.000 0.259 175 S C 0.501 175.112 174.600 0.019 0.000 1.301 175 S CA -0.084 58.120 58.200 0.007 0.000 0.984 175 S CB 1.511 64.715 63.200 0.007 0.000 0.954 175 S HN 0.551 nan 8.310 nan 0.000 0.572 176 A N 0.310 123.137 122.820 0.010 0.000 2.304 176 A HA 0.417 4.760 4.320 0.038 0.000 0.271 176 A C 0.646 178.249 177.584 0.032 0.000 1.091 176 A CA -0.587 51.454 52.037 0.007 0.000 0.812 176 A CB -0.054 18.932 19.000 -0.023 0.000 1.056 176 A HN 0.873 nan 8.150 nan 0.000 0.489 177 D N 0.306 120.717 120.400 0.018 0.000 2.162 177 D HA -0.056 4.607 4.640 0.038 0.000 0.205 177 D C 1.531 177.802 176.300 -0.047 0.000 0.964 177 D CA 2.157 56.182 54.000 0.041 0.000 0.847 177 D CB -0.276 40.526 40.800 0.004 0.000 0.988 177 D HN 0.676 nan 8.370 nan 0.000 0.480 178 T N 0.031 114.476 114.554 -0.182 0.000 3.327 178 T HA 0.297 4.670 4.350 0.038 0.000 0.241 178 T C 0.870 175.556 174.700 -0.023 0.000 0.907 178 T CA -0.576 61.416 62.100 -0.179 0.000 0.931 178 T CB -0.983 67.701 68.868 -0.307 0.000 1.112 178 T HN -0.088 nan 8.240 nan 0.000 0.589 179 V N -1.300 118.650 119.914 0.060 0.000 3.546 179 V HA 0.438 4.581 4.120 0.038 0.000 0.296 179 V C 0.734 176.965 176.094 0.229 0.000 1.082 179 V CA -1.366 61.019 62.300 0.142 0.000 1.086 179 V CB 0.339 32.228 31.823 0.111 0.000 1.174 179 V HN 0.544 nan 8.190 nan 0.000 0.464 180 R N 1.257 121.927 120.500 0.282 0.000 2.198 180 R HA 0.497 4.860 4.340 0.038 0.000 0.339 180 R C -1.079 175.270 176.300 0.082 0.000 1.020 180 R CA -0.126 56.085 56.100 0.185 0.000 0.864 180 R CB 0.160 30.476 30.300 0.027 0.000 1.105 180 R HN 1.067 nan 8.270 nan 0.000 0.463 181 D N 3.178 123.637 120.400 0.097 0.000 2.738 181 D HA 0.213 4.876 4.640 0.038 0.000 0.308 181 D C -0.627 175.734 176.300 0.102 0.000 1.311 181 D CA -0.601 53.435 54.000 0.061 0.000 0.799 181 D CB 1.215 42.048 40.800 0.054 0.000 1.332 181 D HN 0.201 nan 8.370 nan 0.000 0.441 182 I N 1.002 121.626 120.570 0.089 0.000 2.886 182 I HA 0.366 4.559 4.170 0.038 0.000 0.299 182 I C 0.745 176.925 176.117 0.105 0.000 1.044 182 I CA -0.310 61.027 61.300 0.062 0.000 1.310 182 I CB 0.298 38.260 38.000 -0.063 0.000 1.441 182 I HN 0.276 nan 8.210 nan 0.000 0.578 183 R N 1.876 122.479 120.500 0.173 0.000 2.637 183 R HA 0.574 4.937 4.340 0.038 0.000 0.291 183 R C -0.177 176.365 176.300 0.403 0.000 0.963 183 R CA -0.748 55.521 56.100 0.282 0.000 0.901 183 R CB 1.600 32.093 30.300 0.321 0.000 1.160 183 R HN 0.818 nan 8.270 nan 0.000 0.457 184 G N 0.871 109.958 108.800 0.477 0.000 2.400 184 G HA2 0.496 4.479 3.960 0.038 0.000 0.301 184 G HA3 0.496 4.479 3.960 0.038 0.000 0.301 184 G C -1.290 173.718 174.900 0.180 0.000 1.154 184 G CA -0.098 45.265 45.100 0.439 0.000 0.852 184 G HN 0.350 nan 8.290 nan 0.000 0.511 185 F N 2.060 121.948 119.950 -0.104 0.000 2.949 185 F HA 0.629 5.177 4.527 0.036 0.000 0.376 185 F C -0.058 175.460 175.800 -0.470 0.000 1.205 185 F CA -1.650 56.169 58.000 -0.301 0.000 1.155 185 F CB 1.097 40.021 39.000 -0.126 0.000 1.495 185 F HN 0.652 nan 8.300 nan 0.000 0.551 186 A N 3.206 125.751 122.820 -0.457 0.000 2.303 186 A HA 0.794 5.137 4.320 0.038 0.000 0.320 186 A C -0.544 176.617 177.584 -0.705 0.000 1.192 186 A CA -0.410 51.219 52.037 -0.680 0.000 0.821 186 A CB 0.783 19.041 19.000 -1.238 0.000 1.188 186 A HN 0.515 nan 8.150 nan 0.000 0.492 187 T N 2.249 116.550 114.554 -0.422 0.000 2.812 187 T HA 0.412 4.785 4.350 0.038 0.000 0.282 187 T C -0.388 174.152 174.700 -0.265 0.000 0.990 187 T CA -0.505 61.363 62.100 -0.387 0.000 0.960 187 T CB 1.192 69.786 68.868 -0.457 0.000 0.948 187 T HN 0.635 nan 8.240 nan 0.000 0.438 188 K N 3.177 123.473 120.400 -0.174 0.000 2.240 188 K HA 0.481 4.824 4.320 0.038 0.000 0.271 188 K C -1.317 174.961 176.600 -0.537 0.000 1.018 188 K CA -0.614 55.487 56.287 -0.310 0.000 0.874 188 K CB 0.425 32.680 32.500 -0.408 0.000 1.098 188 K HN 0.387 nan 8.250 nan 0.000 0.458 189 F N 4.243 123.906 119.950 -0.478 0.000 2.385 189 F HA 0.248 4.797 4.527 0.036 0.000 0.360 189 F C -0.424 175.174 175.800 -0.336 0.000 1.122 189 F CA -0.581 57.200 58.000 -0.364 0.000 1.090 189 F CB 0.737 39.439 39.000 -0.498 0.000 1.150 189 F HN 0.436 nan 8.300 nan 0.000 0.472 190 Y N 1.781 122.127 120.300 0.077 0.000 2.636 190 Y HA 0.222 4.796 4.550 0.041 0.000 0.334 190 Y C 1.087 177.038 175.900 0.084 0.000 1.286 190 Y CA -0.852 57.280 58.100 0.054 0.000 1.688 190 Y CB -0.287 38.196 38.460 0.039 0.000 1.662 190 Y HN 0.574 nan 8.280 nan 0.000 0.465 191 T N -2.413 112.232 114.554 0.152 0.000 2.788 191 T HA 0.156 4.529 4.350 0.038 0.000 0.280 191 T C 0.988 175.776 174.700 0.148 0.000 0.984 191 T CA -0.605 61.587 62.100 0.153 0.000 0.972 191 T CB 1.024 69.945 68.868 0.089 0.000 1.039 191 T HN 0.636 nan 8.240 nan 0.000 0.530 192 E N -0.221 120.070 120.200 0.152 0.000 2.435 192 E HA 0.014 4.387 4.350 0.038 0.000 0.195 192 E C 1.035 177.698 176.600 0.105 0.000 1.029 192 E CA 0.458 56.932 56.400 0.122 0.000 0.865 192 E CB 0.191 29.961 29.700 0.117 0.000 0.833 192 E HN 0.714 nan 8.360 nan 0.000 0.510 193 E N 0.450 120.713 120.200 0.105 0.000 2.569 193 E HA 0.251 4.624 4.350 0.038 0.000 0.205 193 E C 0.197 176.841 176.600 0.073 0.000 1.006 193 E CA -0.236 56.219 56.400 0.091 0.000 0.985 193 E CB 1.232 30.989 29.700 0.094 0.000 1.060 193 E HN 0.180 nan 8.360 nan 0.000 0.460 194 G N 1.225 110.063 108.800 0.063 0.000 2.440 194 G HA2 -0.126 3.857 3.960 0.038 0.000 0.684 194 G HA3 -0.126 3.857 3.960 0.038 0.000 0.684 194 G C -0.795 174.108 174.900 0.005 0.000 1.309 194 G CA -1.095 44.020 45.100 0.025 0.000 0.931 194 G HN 0.043 nan 8.290 nan 0.000 0.612 195 I N 0.599 121.135 120.570 -0.057 0.000 2.496 195 I HA 0.402 4.595 4.170 0.038 0.000 0.285 195 I C 0.002 176.120 176.117 0.000 0.000 1.080 195 I CA 0.010 61.249 61.300 -0.102 0.000 1.404 195 I CB 0.958 38.815 38.000 -0.238 0.000 1.403 195 I HN 0.475 nan 8.210 nan 0.000 0.539 196 F N 6.678 126.527 119.950 -0.169 0.000 2.460 196 F HA 0.462 5.011 4.527 0.037 0.000 0.341 196 F C -0.704 175.067 175.800 -0.047 0.000 1.130 196 F CA -1.290 56.614 58.000 -0.160 0.000 0.962 196 F CB 0.749 39.519 39.000 -0.384 0.000 1.171 196 F HN 0.341 nan 8.300 nan 0.000 0.436 197 D N 6.258 126.530 120.400 -0.213 0.000 2.217 197 D HA 0.310 4.973 4.640 0.038 0.000 0.243 197 D C -1.124 174.782 176.300 -0.657 0.000 1.054 197 D CA -0.157 53.636 54.000 -0.346 0.000 0.838 197 D CB 2.453 43.234 40.800 -0.030 0.000 1.162 197 D HN 0.510 nan 8.370 nan 0.000 0.472 198 L N 3.479 124.313 121.223 -0.648 0.000 2.301 198 L HA 0.273 4.636 4.340 0.038 0.000 0.278 198 L C -1.084 175.604 176.870 -0.304 0.000 1.022 198 L CA -0.755 53.768 54.840 -0.529 0.000 0.854 198 L CB 1.210 42.939 42.059 -0.550 0.000 1.226 198 L HN 0.089 nan 8.230 nan 0.000 0.429 199 V N 5.746 125.499 119.914 -0.268 0.000 2.284 199 V HA 0.717 4.860 4.120 0.038 0.000 0.260 199 V C 0.903 176.860 176.094 -0.228 0.000 1.084 199 V CA 0.001 62.136 62.300 -0.275 0.000 0.894 199 V CB -0.076 31.563 31.823 -0.307 0.000 1.119 199 V HN 0.831 nan 8.190 nan 0.000 0.484 200 G N 2.421 111.109 108.800 -0.186 0.000 2.938 200 G HA2 0.719 4.702 3.960 0.038 0.000 0.258 200 G HA3 0.719 4.702 3.960 0.038 0.000 0.258 200 G C -1.013 173.858 174.900 -0.048 0.000 1.356 200 G CA -0.551 44.477 45.100 -0.121 0.000 1.052 200 G HN 0.629 nan 8.290 nan 0.000 0.550 201 H N -1.510 117.631 119.070 0.119 0.000 2.949 201 H HA 0.281 4.859 4.556 0.037 0.000 0.310 201 H C 0.213 175.715 175.328 0.289 0.000 1.405 201 H CA -0.771 55.398 56.048 0.201 0.000 1.253 201 H CB 1.979 31.840 29.762 0.165 0.000 1.932 201 H HN 0.496 nan 8.280 nan 0.000 0.602 202 N N 0.092 119.054 118.700 0.437 0.000 2.235 202 N HA -0.005 4.758 4.740 0.038 0.000 0.209 202 N C -0.530 175.235 175.510 0.425 0.000 1.122 202 N CA 0.009 53.334 53.050 0.457 0.000 0.845 202 N CB 0.492 39.211 38.487 0.386 0.000 1.004 202 N HN 0.535 nan 8.380 nan 0.000 0.499 203 T N -3.190 111.413 114.554 0.082 0.000 2.906 203 T HA 0.462 4.835 4.350 0.038 0.000 0.295 203 T C -2.582 171.396 174.700 -1.203 0.000 1.061 203 T CA -1.585 60.105 62.100 -0.684 0.000 1.000 203 T CB 2.983 71.368 68.868 -0.805 0.000 1.103 203 T HN -0.251 nan 8.240 nan 0.000 0.486 204 P HA 0.194 nan 4.420 nan 0.000 0.245 204 P C 0.442 177.227 177.300 -0.859 0.000 1.212 204 P CA 0.127 62.270 63.100 -1.596 0.000 0.774 204 P CB -0.080 30.716 31.700 -1.506 0.000 0.999 205 I N -4.667 115.401 120.570 -0.837 0.000 3.264 205 I HA 0.553 4.746 4.170 0.038 0.000 0.315 205 I C -1.377 174.503 176.117 -0.394 0.000 1.154 205 I CA -1.884 59.088 61.300 -0.546 0.000 0.962 205 I CB 1.536 39.206 38.000 -0.551 0.000 1.265 205 I HN -0.242 nan 8.210 nan 0.000 0.463 206 F N 0.691 120.401 119.950 -0.399 0.000 2.613 206 F HA 0.527 5.081 4.527 0.044 0.000 0.342 206 F C 0.313 175.906 175.800 -0.344 0.000 1.066 206 F CA -0.715 57.091 58.000 -0.324 0.000 1.002 206 F CB 1.793 40.735 39.000 -0.096 0.000 1.319 206 F HN 0.382 nan 8.300 nan 0.000 0.495 207 F N 2.170 121.385 119.950 -1.224 0.000 2.325 207 F HA 0.047 4.595 4.527 0.035 0.000 0.299 207 F C 0.611 176.129 175.800 -0.470 0.000 1.090 207 F CA 0.803 58.277 58.000 -0.876 0.000 1.392 207 F CB -0.259 37.900 39.000 -1.401 0.000 1.053 207 F HN 0.151 nan 8.300 nan 0.000 0.521 208 I N -3.597 116.944 120.570 -0.048 0.000 3.042 208 I HA 0.379 4.572 4.170 0.038 0.000 0.310 208 I C 0.390 176.638 176.117 0.218 0.000 1.117 208 I CA -0.851 60.523 61.300 0.123 0.000 1.003 208 I CB 1.868 39.983 38.000 0.193 0.000 1.228 208 I HN -0.195 nan 8.210 nan 0.000 0.443 209 Q N 0.295 120.222 119.800 0.212 0.000 2.259 209 Q HA 0.137 4.500 4.340 0.038 0.000 0.201 209 Q C -0.278 175.888 176.000 0.277 0.000 0.938 209 Q CA 0.671 56.629 55.803 0.259 0.000 0.872 209 Q CB 0.424 29.366 28.738 0.340 0.000 0.971 209 Q HN 0.652 nan 8.270 nan 0.000 0.494 210 D N -1.130 119.416 120.400 0.242 0.000 2.498 210 D HA 0.315 4.978 4.640 0.038 0.000 0.247 210 D C -0.002 176.431 176.300 0.221 0.000 1.070 210 D CA -0.244 53.878 54.000 0.203 0.000 0.842 210 D CB 1.835 42.733 40.800 0.164 0.000 1.361 210 D HN 0.036 nan 8.370 nan 0.000 0.484 211 A N 3.208 126.130 122.820 0.170 0.000 2.076 211 A HA -0.231 4.112 4.320 0.038 0.000 0.220 211 A C 1.765 179.470 177.584 0.202 0.000 1.160 211 A CA 1.604 53.733 52.037 0.153 0.000 0.653 211 A CB -0.776 18.261 19.000 0.062 0.000 0.801 211 A HN 0.810 nan 8.150 nan 0.000 0.455 212 H N -0.136 119.000 119.070 0.111 0.000 2.518 212 H HA 0.003 4.588 4.556 0.048 0.000 0.292 212 H C 1.565 176.982 175.328 0.148 0.000 1.068 212 H CA 1.723 57.833 56.048 0.103 0.000 1.275 212 H CB 0.106 29.907 29.762 0.065 0.000 1.375 212 H HN 0.413 nan 8.280 nan 0.000 0.563 213 K N -0.828 119.723 120.400 0.252 0.000 2.374 213 K HA -0.026 4.317 4.320 0.038 0.000 0.196 213 K C 1.334 178.094 176.600 0.266 0.000 1.023 213 K CA -0.083 56.355 56.287 0.251 0.000 1.103 213 K CB 0.164 32.854 32.500 0.316 0.000 0.848 213 K HN 0.262 nan 8.250 nan 0.000 0.528 214 F N 3.215 123.240 119.950 0.125 0.000 2.065 214 F HA -0.195 4.342 4.527 0.017 0.000 0.298 214 F C -0.936 174.888 175.800 0.040 0.000 1.112 214 F CA 1.716 59.803 58.000 0.145 0.000 1.212 214 F CB -0.564 38.509 39.000 0.122 0.000 0.975 214 F HN 0.024 nan 8.300 nan 0.000 0.476 215 P HA -0.150 nan 4.420 nan 0.000 0.218 215 P C 0.947 177.994 177.300 -0.422 0.000 1.148 215 P CA 1.813 64.724 63.100 -0.316 0.000 0.822 215 P CB -0.109 31.438 31.700 -0.255 0.000 0.784 216 D N -1.372 118.923 120.400 -0.174 0.000 2.103 216 D HA -0.131 4.532 4.640 0.038 0.000 0.199 216 D C 1.829 177.922 176.300 -0.345 0.000 0.978 216 D CA 0.922 54.860 54.000 -0.104 0.000 0.829 216 D CB -0.762 40.140 40.800 0.171 0.000 0.981 216 D HN 0.148 nan 8.370 nan 0.000 0.464 217 F N 1.957 121.560 119.950 -0.579 0.000 2.069 217 F HA -0.239 4.305 4.527 0.029 0.000 0.298 217 F C 2.303 177.734 175.800 -0.615 0.000 1.113 217 F CA 1.197 58.658 58.000 -0.897 0.000 1.214 217 F CB -0.214 38.453 39.000 -0.553 0.000 0.978 217 F HN -0.255 nan 8.300 nan 0.000 0.474 218 V N 0.237 119.805 119.914 -0.577 0.000 2.295 218 V HA -0.355 3.788 4.120 0.038 0.000 0.246 218 V C 2.258 178.149 176.094 -0.338 0.000 1.049 218 V CA 2.497 64.475 62.300 -0.537 0.000 1.024 218 V CB -1.099 30.422 31.823 -0.504 0.000 0.648 218 V HN 0.471 nan 8.190 nan 0.000 0.447 219 H N -0.185 118.692 119.070 -0.321 0.000 2.387 219 H HA -0.155 4.428 4.556 0.044 0.000 0.299 219 H C 2.313 177.505 175.328 -0.228 0.000 1.099 219 H CA 1.093 57.018 56.048 -0.205 0.000 1.315 219 H CB -0.025 29.664 29.762 -0.121 0.000 1.380 219 H HN 0.487 nan 8.280 nan 0.000 0.513 220 A N 0.355 123.022 122.820 -0.254 0.000 1.969 220 A HA -0.100 4.243 4.320 0.038 0.000 0.218 220 A C 2.462 179.896 177.584 -0.249 0.000 1.169 220 A CA 1.355 53.233 52.037 -0.265 0.000 0.635 220 A CB -0.557 18.159 19.000 -0.474 0.000 0.810 220 A HN 0.314 nan 8.150 nan 0.000 0.445 221 V N -0.343 119.307 119.914 -0.440 0.000 2.878 221 V HA 0.028 4.171 4.120 0.038 0.000 0.250 221 V C 0.836 176.883 176.094 -0.078 0.000 1.075 221 V CA 0.622 62.711 62.300 -0.352 0.000 1.096 221 V CB -0.432 30.981 31.823 -0.684 0.000 0.724 221 V HN 0.332 nan 8.190 nan 0.000 0.467 222 K N 1.247 121.582 120.400 -0.109 0.000 2.187 222 K HA 0.234 4.577 4.320 0.038 0.000 0.247 222 K C -2.309 174.248 176.600 -0.071 0.000 1.019 222 K CA -1.641 54.599 56.287 -0.079 0.000 0.893 222 K CB -0.412 32.044 32.500 -0.073 0.000 1.025 222 K HN 0.148 nan 8.250 nan 0.000 0.500 223 P HA -0.034 nan 4.420 nan 0.000 0.264 223 P C -0.575 176.673 177.300 -0.087 0.000 1.183 223 P CA 0.461 63.438 63.100 -0.206 0.000 0.763 223 P CB 0.283 31.867 31.700 -0.193 0.000 0.807 224 E N 5.362 125.555 120.200 -0.011 0.000 2.398 224 E HA 0.005 4.378 4.350 0.038 0.000 0.263 224 E C -1.247 175.445 176.600 0.154 0.000 1.046 224 E CA -1.319 55.184 56.400 0.172 0.000 0.908 224 E CB 0.101 30.026 29.700 0.376 0.000 0.963 224 E HN 0.434 nan 8.360 nan 0.000 0.431 225 P HA -0.176 nan 4.420 nan 0.000 0.229 225 P C 0.807 178.196 177.300 0.148 0.000 1.160 225 P CA 1.262 64.419 63.100 0.097 0.000 0.777 225 P CB 0.121 31.841 31.700 0.034 0.000 0.814 226 H N -1.063 118.054 119.070 0.079 0.000 2.355 226 H HA -0.028 4.550 4.556 0.037 0.000 0.303 226 H C 1.464 176.902 175.328 0.182 0.000 1.061 226 H CA 1.176 57.259 56.048 0.058 0.000 1.368 226 H CB -1.213 28.518 29.762 -0.052 0.000 1.412 226 H HN 0.277 nan 8.280 nan 0.000 0.523 227 W N 0.220 121.130 121.300 -0.650 0.000 2.870 227 W HA 0.691 5.372 4.660 0.036 0.000 0.358 227 W C 0.413 176.768 176.519 -0.273 0.000 1.043 227 W CA -0.908 56.193 57.345 -0.406 0.000 1.692 227 W CB -0.690 28.499 29.460 -0.452 0.000 1.100 227 W HN 0.425 nan 8.180 nan 0.000 0.557 228 A N 1.269 124.048 122.820 -0.068 0.000 2.667 228 A HA -0.142 4.201 4.320 0.038 0.000 0.298 228 A C -0.470 176.878 177.584 -0.393 0.000 1.483 228 A CA 1.380 53.308 52.037 -0.183 0.000 0.738 228 A CB -2.408 16.517 19.000 -0.124 0.000 1.067 228 A HN 0.457 nan 8.150 nan 0.000 0.451 229 I N 0.446 120.636 120.570 -0.634 0.000 2.730 229 I HA 0.572 4.765 4.170 0.038 0.000 0.298 229 I C -2.413 173.397 176.117 -0.511 0.000 1.089 229 I CA -2.445 58.395 61.300 -0.767 0.000 1.041 229 I CB 2.917 39.988 38.000 -1.548 0.000 1.235 229 I HN 0.216 nan 8.210 nan 0.000 0.423 230 P HA 0.317 nan 4.420 nan 0.000 0.287 230 P C -1.630 175.508 177.300 -0.271 0.000 1.290 230 P CA -0.853 62.026 63.100 -0.367 0.000 0.889 230 P CB 1.304 32.855 31.700 -0.248 0.000 1.190 231 Q N 0.311 119.996 119.800 -0.191 0.000 2.267 231 Q HA 0.492 4.855 4.340 0.038 0.000 0.255 231 Q C 0.975 176.929 176.000 -0.076 0.000 0.923 231 Q CA 0.808 56.533 55.803 -0.129 0.000 0.925 231 Q CB -0.365 28.310 28.738 -0.105 0.000 1.195 231 Q HN 0.811 nan 8.270 nan 0.000 0.417 232 G N 3.331 112.094 108.800 -0.062 0.000 2.225 232 G HA2 -0.291 3.692 3.960 0.038 0.000 0.267 232 G HA3 -0.291 3.692 3.960 0.038 0.000 0.267 232 G C -0.420 174.478 174.900 -0.004 0.000 1.024 232 G CA 0.655 45.739 45.100 -0.025 0.000 0.784 232 G HN 0.554 nan 8.290 nan 0.000 0.507 233 Q N -1.300 118.484 119.800 -0.027 0.000 2.377 233 Q HA 0.586 4.949 4.340 0.038 0.000 0.279 233 Q C 0.713 176.707 176.000 -0.009 0.000 1.049 233 Q CA -0.203 55.609 55.803 0.015 0.000 0.825 233 Q CB 1.798 30.592 28.738 0.094 0.000 1.401 233 Q HN 0.472 nan 8.270 nan 0.000 0.404 234 S N -0.791 114.831 115.700 -0.130 0.000 2.556 234 S HA 0.237 4.730 4.470 0.038 0.000 0.216 234 S C 0.855 175.422 174.600 -0.056 0.000 0.970 234 S CA 0.005 57.947 58.200 -0.429 0.000 0.912 234 S CB 0.404 62.900 63.200 -1.173 0.000 0.790 234 S HN 0.606 nan 8.310 nan 0.000 0.504 235 A N 2.428 125.387 122.820 0.231 0.000 3.026 235 A HA 0.505 4.848 4.320 0.038 0.000 0.272 235 A C 0.092 177.923 177.584 0.411 0.000 1.782 235 A CA -0.480 51.781 52.037 0.373 0.000 1.451 235 A CB -1.364 17.807 19.000 0.284 0.000 1.081 235 A HN 0.908 nan 8.150 nan 0.000 0.611 236 H N -3.332 115.923 119.070 0.308 0.000 3.037 236 H HA 0.458 5.036 4.556 0.036 0.000 0.336 236 H C -0.254 175.253 175.328 0.298 0.000 1.323 236 H CA -0.760 55.434 56.048 0.243 0.000 1.159 236 H CB 0.278 30.143 29.762 0.171 0.000 1.882 236 H HN 0.092 nan 8.280 nan 0.000 0.535 237 D N 0.571 121.131 120.400 0.266 0.000 2.126 237 D HA -0.249 4.414 4.640 0.038 0.000 0.190 237 D C 2.160 178.506 176.300 0.078 0.000 1.001 237 D CA 3.344 57.437 54.000 0.154 0.000 0.841 237 D CB -0.418 40.457 40.800 0.124 0.000 0.949 237 D HN 0.799 nan 8.370 nan 0.000 0.446 238 T N -1.611 112.987 114.554 0.074 0.000 2.788 238 T HA -0.210 4.163 4.350 0.038 0.000 0.268 238 T C 1.918 176.542 174.700 -0.127 0.000 1.044 238 T CA 0.882 62.991 62.100 0.015 0.000 1.139 238 T CB -0.778 68.152 68.868 0.104 0.000 0.867 238 T HN 0.172 nan 8.240 nan 0.000 0.454 239 F N 0.969 120.583 119.950 -0.561 0.000 2.075 239 F HA 0.045 4.592 4.527 0.035 0.000 0.297 239 F C 1.914 177.448 175.800 -0.445 0.000 1.113 239 F CA 0.815 58.419 58.000 -0.660 0.000 1.218 239 F CB -0.715 37.711 39.000 -0.956 0.000 0.984 239 F HN 0.160 nan 8.300 nan 0.000 0.472 240 W N 0.644 121.829 121.300 -0.191 0.000 2.425 240 W HA -0.115 4.572 4.660 0.044 0.000 0.277 240 W C 2.289 178.704 176.519 -0.173 0.000 1.231 240 W CA 1.044 58.266 57.345 -0.204 0.000 1.248 240 W CB -0.626 28.803 29.460 -0.051 0.000 1.117 240 W HN 0.104 nan 8.180 nan 0.000 0.568 241 D N -0.696 119.725 120.400 0.034 0.000 2.084 241 D HA -0.287 4.376 4.640 0.038 0.000 0.194 241 D C 1.891 178.193 176.300 0.002 0.000 0.990 241 D CA 1.426 55.441 54.000 0.025 0.000 0.826 241 D CB -0.526 40.299 40.800 0.042 0.000 0.971 241 D HN 0.169 nan 8.370 nan 0.000 0.453 242 Y N 0.366 120.564 120.300 -0.169 0.000 2.165 242 Y HA -0.190 4.384 4.550 0.040 0.000 0.286 242 Y C 2.221 177.998 175.900 -0.206 0.000 1.155 242 Y CA 1.395 59.389 58.100 -0.177 0.000 1.164 242 Y CB -0.370 37.961 38.460 -0.215 0.000 0.978 242 Y HN -0.101 nan 8.280 nan 0.000 0.513 243 V N -0.066 119.751 119.914 -0.161 0.000 2.343 243 V HA -0.314 3.829 4.120 0.038 0.000 0.247 243 V C 2.544 178.595 176.094 -0.071 0.000 1.051 243 V CA 2.169 64.364 62.300 -0.175 0.000 1.036 243 V CB -1.113 30.485 31.823 -0.375 0.000 0.654 243 V HN 0.650 nan 8.190 nan 0.000 0.451 244 S N -0.410 115.280 115.700 -0.017 0.000 2.453 244 S HA 0.013 4.506 4.470 0.038 0.000 0.231 244 S C 1.657 176.225 174.600 -0.055 0.000 1.005 244 S CA 1.009 59.212 58.200 0.006 0.000 0.949 244 S CB -0.381 62.848 63.200 0.048 0.000 0.774 244 S HN 0.558 nan 8.310 nan 0.000 0.510 245 L N 0.133 121.284 121.223 -0.120 0.000 2.607 245 L HA 0.322 4.685 4.340 0.038 0.000 0.228 245 L C 0.410 177.131 176.870 -0.250 0.000 1.123 245 L CA 0.102 54.847 54.840 -0.158 0.000 0.890 245 L CB -0.002 41.963 42.059 -0.156 0.000 1.103 245 L HN 0.258 nan 8.230 nan 0.000 0.468 246 Q N 0.487 120.105 119.800 -0.305 0.000 3.090 246 Q HA 0.232 4.595 4.340 0.038 0.000 0.241 246 Q C -1.969 173.834 176.000 -0.328 0.000 0.958 246 Q CA -1.408 54.178 55.803 -0.362 0.000 0.715 246 Q CB 1.635 30.080 28.738 -0.488 0.000 1.298 246 Q HN -0.020 nan 8.270 nan 0.000 0.468 247 P HA -0.212 nan 4.420 nan 0.000 0.228 247 P C 0.958 177.909 177.300 -0.582 0.000 1.151 247 P CA 1.049 63.879 63.100 -0.451 0.000 0.770 247 P CB 0.281 31.690 31.700 -0.485 0.000 0.786 248 E N 0.799 120.569 120.200 -0.717 0.000 2.209 248 E HA -0.183 4.190 4.350 0.038 0.000 0.196 248 E C 1.532 178.086 176.600 -0.076 0.000 0.993 248 E CA 1.893 58.131 56.400 -0.270 0.000 0.819 248 E CB -1.300 28.321 29.700 -0.132 0.000 0.745 248 E HN 0.289 nan 8.360 nan 0.000 0.477 249 T N -0.530 113.989 114.554 -0.059 0.000 3.035 249 T HA 0.013 4.386 4.350 0.038 0.000 0.268 249 T C 1.982 176.749 174.700 0.113 0.000 1.109 249 T CA 0.488 62.621 62.100 0.055 0.000 1.119 249 T CB -0.367 68.574 68.868 0.122 0.000 0.900 249 T HN 0.159 nan 8.240 nan 0.000 0.503 250 L N 0.071 121.356 121.223 0.103 0.000 2.127 250 L HA -0.109 4.254 4.340 0.038 0.000 0.211 250 L C 2.856 179.876 176.870 0.249 0.000 1.089 250 L CA 1.848 56.809 54.840 0.202 0.000 0.757 250 L CB -0.862 41.320 42.059 0.205 0.000 0.899 250 L HN 0.478 nan 8.230 nan 0.000 0.434 251 H N 0.164 119.269 119.070 0.059 0.000 2.293 251 H HA -0.210 4.369 4.556 0.038 0.000 0.300 251 H C 2.165 177.479 175.328 -0.023 0.000 1.082 251 H CA 1.821 57.894 56.048 0.042 0.000 1.308 251 H CB 0.214 29.965 29.762 -0.017 0.000 1.375 251 H HN 0.381 nan 8.280 nan 0.000 0.495 252 N N -0.173 118.377 118.700 -0.250 0.000 2.309 252 N HA -0.123 4.640 4.740 0.038 0.000 0.182 252 N C 1.900 177.271 175.510 -0.233 0.000 1.018 252 N CA 0.622 53.307 53.050 -0.609 0.000 0.876 252 N CB 0.296 37.917 38.487 -1.443 0.000 0.972 252 N HN 0.114 nan 8.380 nan 0.000 0.434 253 V N 1.572 121.558 119.914 0.120 0.000 2.358 253 V HA -0.232 3.911 4.120 0.038 0.000 0.246 253 V C 2.476 178.703 176.094 0.220 0.000 1.047 253 V CA 1.207 63.697 62.300 0.316 0.000 1.035 253 V CB -0.334 31.744 31.823 0.425 0.000 0.658 253 V HN 0.394 nan 8.190 nan 0.000 0.452 254 M N -1.549 118.196 119.600 0.241 0.000 2.082 254 M HA -0.235 4.268 4.480 0.038 0.000 0.258 254 M C 2.107 178.346 176.300 -0.102 0.000 1.069 254 M CA 2.030 57.438 55.300 0.181 0.000 1.102 254 M CB -1.132 31.596 32.600 0.213 0.000 1.336 254 M HN 0.466 nan 8.290 nan 0.000 0.404 255 W N 0.570 121.584 121.300 -0.476 0.000 2.335 255 W HA -0.136 4.550 4.660 0.042 0.000 0.311 255 W C 2.859 179.295 176.519 -0.139 0.000 1.213 255 W CA 1.971 59.051 57.345 -0.441 0.000 1.274 255 W CB -1.138 28.027 29.460 -0.492 0.000 1.148 255 W HN 0.295 nan 8.180 nan 0.000 0.498 256 A N -0.738 122.153 122.820 0.119 0.000 1.933 256 A HA -0.188 4.155 4.320 0.038 0.000 0.218 256 A C 1.928 179.539 177.584 0.046 0.000 1.175 256 A CA 1.766 53.867 52.037 0.107 0.000 0.628 256 A CB -0.610 18.486 19.000 0.160 0.000 0.814 256 A HN 0.115 nan 8.150 nan 0.000 0.444 257 M N 0.596 120.183 119.600 -0.023 0.000 2.492 257 M HA 0.017 4.520 4.480 0.038 0.000 0.262 257 M C 1.510 177.811 176.300 0.002 0.000 1.090 257 M CA 0.799 56.014 55.300 -0.141 0.000 1.110 257 M CB -1.414 30.844 32.600 -0.569 0.000 1.407 257 M HN 0.556 nan 8.290 nan 0.000 0.470 258 S N 0.208 115.970 115.700 0.103 0.000 2.641 258 S HA 0.086 4.579 4.470 0.038 0.000 0.261 258 S C 0.753 175.462 174.600 0.182 0.000 1.257 258 S CA -0.392 57.920 58.200 0.187 0.000 0.983 258 S CB 0.977 64.331 63.200 0.256 0.000 0.990 258 S HN 0.196 nan 8.310 nan 0.000 0.572 259 D N 0.105 120.640 120.400 0.225 0.000 2.378 259 D HA 0.062 4.725 4.640 0.038 0.000 0.227 259 D C 1.809 178.248 176.300 0.231 0.000 1.012 259 D CA 0.256 54.413 54.000 0.262 0.000 0.905 259 D CB -0.141 40.892 40.800 0.388 0.000 0.895 259 D HN 0.372 nan 8.370 nan 0.000 0.532 260 R N 0.232 120.858 120.500 0.210 0.000 2.152 260 R HA -0.041 4.322 4.340 0.038 0.000 0.232 260 R C 2.058 178.500 176.300 0.238 0.000 1.117 260 R CA 0.895 57.142 56.100 0.244 0.000 0.981 260 R CB -0.731 29.773 30.300 0.340 0.000 0.870 260 R HN 0.178 nan 8.270 nan 0.000 0.451 261 G N 1.297 110.221 108.800 0.206 0.000 2.598 261 G HA2 -0.064 3.919 3.960 0.038 0.000 0.215 261 G HA3 -0.064 3.919 3.960 0.038 0.000 0.215 261 G C 1.031 176.055 174.900 0.207 0.000 1.131 261 G CA 0.194 45.404 45.100 0.183 0.000 0.785 261 G HN 0.410 nan 8.290 nan 0.000 0.539 262 I N -1.845 118.861 120.570 0.228 0.000 2.926 262 I HA 0.345 4.538 4.170 0.038 0.000 0.295 262 I C -2.825 173.441 176.117 0.247 0.000 1.463 262 I CA -2.559 58.886 61.300 0.242 0.000 0.892 262 I CB 1.612 39.758 38.000 0.243 0.000 1.874 262 I HN -0.259 nan 8.210 nan 0.000 0.620 263 P HA 0.020 nan 4.420 nan 0.000 0.267 263 P C 0.514 177.962 177.300 0.246 0.000 1.200 263 P CA -0.050 63.161 63.100 0.184 0.000 0.772 263 P CB 1.106 32.852 31.700 0.078 0.000 0.855 264 R N 1.352 121.975 120.500 0.204 0.000 2.193 264 R HA 0.110 4.473 4.340 0.038 0.000 0.213 264 R C 0.321 176.764 176.300 0.239 0.000 1.055 264 R CA 1.043 57.313 56.100 0.283 0.000 0.995 264 R CB -0.147 30.306 30.300 0.255 0.000 0.893 264 R HN 0.502 nan 8.270 nan 0.000 0.459 265 S N -2.564 113.091 115.700 -0.075 0.000 2.578 265 S HA 0.211 4.704 4.470 0.038 0.000 0.272 265 S C -0.572 173.747 174.600 -0.470 0.000 1.145 265 S CA -0.864 57.127 58.200 -0.348 0.000 0.835 265 S CB 0.090 63.216 63.200 -0.123 0.000 1.104 265 S HN 0.102 nan 8.310 nan 0.000 0.458 266 Y N 2.156 122.118 120.300 -0.565 0.000 2.421 266 Y HA 0.097 4.671 4.550 0.040 0.000 0.292 266 Y C 2.372 177.949 175.900 -0.539 0.000 1.136 266 Y CA 0.985 58.622 58.100 -0.772 0.000 1.255 266 Y CB -0.273 37.392 38.460 -1.325 0.000 0.991 266 Y HN 0.540 nan 8.280 nan 0.000 0.552 267 R N -0.457 119.927 120.500 -0.194 0.000 2.148 267 R HA -0.050 4.313 4.340 0.038 0.000 0.227 267 R C 1.062 177.335 176.300 -0.045 0.000 1.103 267 R CA 1.590 57.624 56.100 -0.111 0.000 0.983 267 R CB -0.571 29.657 30.300 -0.119 0.000 0.874 267 R HN 0.333 nan 8.270 nan 0.000 0.451 268 T N -1.341 113.199 114.554 -0.023 0.000 3.275 268 T HA 0.370 4.743 4.350 0.038 0.000 0.265 268 T C 0.260 175.006 174.700 0.077 0.000 0.978 268 T CA -0.633 61.480 62.100 0.022 0.000 0.923 268 T CB -0.181 68.685 68.868 -0.004 0.000 1.126 268 T HN 0.099 nan 8.240 nan 0.000 0.538 269 M N -1.190 118.499 119.600 0.149 0.000 2.619 269 M HA 0.730 5.233 4.480 0.038 0.000 0.297 269 M C -1.177 175.302 176.300 0.298 0.000 1.229 269 M CA -0.896 54.527 55.300 0.206 0.000 0.860 269 M CB 2.196 34.915 32.600 0.198 0.000 1.741 269 M HN -0.141 nan 8.290 nan 0.000 0.462 270 E N 0.427 120.798 120.200 0.286 0.000 2.312 270 E HA 0.703 5.076 4.350 0.038 0.000 0.259 270 E C -0.276 176.407 176.600 0.138 0.000 1.122 270 E CA -0.677 55.830 56.400 0.178 0.000 0.922 270 E CB 1.573 31.299 29.700 0.045 0.000 1.109 270 E HN 0.864 nan 8.360 nan 0.000 0.442 271 G N 0.461 109.152 108.800 -0.183 0.000 2.571 271 G HA2 0.631 4.614 3.960 0.038 0.000 0.304 271 G HA3 0.631 4.614 3.960 0.038 0.000 0.304 271 G C -1.523 173.031 174.900 -0.576 0.000 1.314 271 G CA -0.492 44.479 45.100 -0.214 0.000 0.975 271 G HN 0.289 nan 8.290 nan 0.000 0.485 272 F N -0.347 119.555 119.950 -0.080 0.000 2.619 272 F HA 0.526 5.074 4.527 0.037 0.000 0.308 272 F C 1.062 176.791 175.800 -0.119 0.000 1.097 272 F CA -0.503 57.385 58.000 -0.188 0.000 0.953 272 F CB 2.472 41.311 39.000 -0.268 0.000 1.287 272 F HN 0.617 nan 8.300 nan 0.000 0.446 273 G N 0.516 109.382 108.800 0.110 0.000 2.603 273 G HA2 0.171 4.154 3.960 0.038 0.000 0.214 273 G HA3 0.171 4.154 3.960 0.038 0.000 0.214 273 G C 1.155 176.100 174.900 0.076 0.000 1.140 273 G CA 0.836 46.031 45.100 0.158 0.000 0.800 273 G HN 0.790 nan 8.290 nan 0.000 0.533 274 I N -0.996 119.564 120.570 -0.016 0.000 4.624 274 I HA -0.323 3.870 4.170 0.038 0.000 0.049 274 I C 0.728 176.713 176.117 -0.219 0.000 0.621 274 I CA 1.562 62.731 61.300 -0.219 0.000 0.836 274 I CB -1.257 36.507 38.000 -0.394 0.000 0.765 274 I HN 0.273 nan 8.210 nan 0.000 0.159 275 H N 1.773 120.871 119.070 0.046 0.000 2.660 275 H HA 0.266 4.845 4.556 0.037 0.000 0.374 275 H C 0.060 175.383 175.328 -0.008 0.000 1.291 275 H CA 0.501 56.506 56.048 -0.072 0.000 1.437 275 H CB 0.269 29.843 29.762 -0.313 0.000 1.509 275 H HN 0.161 nan 8.280 nan 0.000 0.614 276 T N 2.737 117.310 114.554 0.032 0.000 2.743 276 T HA 0.291 4.664 4.350 0.038 0.000 0.293 276 T C 0.076 174.778 174.700 0.004 0.000 0.945 276 T CA -0.173 61.939 62.100 0.019 0.000 1.030 276 T CB -0.201 68.622 68.868 -0.076 0.000 0.912 276 T HN 0.230 nan 8.240 nan 0.000 0.483 277 F N 1.380 121.332 119.950 0.003 0.000 2.629 277 F HA 0.658 5.207 4.527 0.035 0.000 0.386 277 F C 1.051 176.829 175.800 -0.035 0.000 1.135 277 F CA -1.394 56.624 58.000 0.031 0.000 1.116 277 F CB 1.309 40.350 39.000 0.067 0.000 1.426 277 F HN 0.150 nan 8.300 nan 0.000 0.501 278 R N 0.574 121.142 120.500 0.114 0.000 2.670 278 R HA 0.631 4.994 4.340 0.038 0.000 0.289 278 R C -1.646 174.545 176.300 -0.182 0.000 0.965 278 R CA -0.827 55.200 56.100 -0.122 0.000 0.899 278 R CB 1.873 32.027 30.300 -0.244 0.000 1.173 278 R HN 0.448 nan 8.270 nan 0.000 0.456 279 L N 4.153 125.216 121.223 -0.267 0.000 2.296 279 L HA 0.509 4.872 4.340 0.038 0.000 0.286 279 L C -0.587 176.127 176.870 -0.259 0.000 1.023 279 L CA -0.833 53.855 54.840 -0.253 0.000 0.812 279 L CB 1.425 43.324 42.059 -0.266 0.000 1.223 279 L HN 0.380 nan 8.230 nan 0.000 0.421 280 I N 3.390 123.829 120.570 -0.219 0.000 2.389 280 I HA 0.268 4.461 4.170 0.038 0.000 0.288 280 I C -0.091 175.938 176.117 -0.147 0.000 0.999 280 I CA -0.638 60.538 61.300 -0.206 0.000 1.129 280 I CB 1.370 39.256 38.000 -0.190 0.000 1.288 280 I HN 0.623 nan 8.210 nan 0.000 0.444 281 N N 5.126 123.750 118.700 -0.127 0.000 2.448 281 N HA 0.334 5.097 4.740 0.038 0.000 0.274 281 N C 0.777 176.244 175.510 -0.072 0.000 1.239 281 N CA -0.314 52.682 53.050 -0.090 0.000 0.982 281 N CB 0.759 39.201 38.487 -0.075 0.000 1.199 281 N HN 0.527 nan 8.380 nan 0.000 0.576 282 A N -0.344 122.443 122.820 -0.055 0.000 2.015 282 A HA -0.098 4.245 4.320 0.038 0.000 0.219 282 A C 1.655 179.217 177.584 -0.036 0.000 1.163 282 A CA 1.155 53.166 52.037 -0.043 0.000 0.646 282 A CB -0.784 18.197 19.000 -0.032 0.000 0.806 282 A HN 0.834 nan 8.150 nan 0.000 0.448 283 E N -1.670 118.510 120.200 -0.034 0.000 2.481 283 E HA 0.229 4.602 4.350 0.038 0.000 0.195 283 E C 1.151 177.738 176.600 -0.021 0.000 1.047 283 E CA 0.373 56.758 56.400 -0.026 0.000 0.867 283 E CB -0.054 29.632 29.700 -0.023 0.000 0.858 283 E HN 0.730 nan 8.360 nan 0.000 0.513 284 G N 1.959 110.743 108.800 -0.027 0.000 2.159 284 G HA2 -0.300 3.683 3.960 0.038 0.000 0.227 284 G HA3 -0.300 3.683 3.960 0.038 0.000 0.227 284 G C 0.193 175.102 174.900 0.013 0.000 0.986 284 G CA 0.062 45.161 45.100 -0.002 0.000 0.651 284 G HN 0.188 nan 8.290 nan 0.000 0.523 285 K N 0.848 121.224 120.400 -0.041 0.000 2.298 285 K HA 0.652 4.995 4.320 0.038 0.000 0.280 285 K C 0.491 176.968 176.600 -0.205 0.000 1.032 285 K CA 0.253 56.492 56.287 -0.080 0.000 0.958 285 K CB 0.612 33.066 32.500 -0.076 0.000 0.978 285 K HN 0.556 nan 8.250 nan 0.000 0.472 286 A N 3.095 125.706 122.820 -0.349 0.000 2.304 286 A HA 0.455 4.798 4.320 0.038 0.000 0.323 286 A C -0.864 176.413 177.584 -0.512 0.000 1.195 286 A CA -0.513 51.156 52.037 -0.613 0.000 0.826 286 A CB 1.289 19.507 19.000 -1.304 0.000 1.184 286 A HN 0.688 nan 8.150 nan 0.000 0.496 287 T N 2.395 116.670 114.554 -0.465 0.000 2.848 287 T HA 0.524 4.897 4.350 0.038 0.000 0.285 287 T C -0.733 173.747 174.700 -0.368 0.000 0.995 287 T CA -0.097 61.787 62.100 -0.360 0.000 0.970 287 T CB 0.396 69.137 68.868 -0.211 0.000 0.976 287 T HN 0.346 nan 8.240 nan 0.000 0.441 288 F N 2.197 122.054 119.950 -0.156 0.000 2.429 288 F HA 0.559 5.108 4.527 0.037 0.000 0.348 288 F C 0.570 176.252 175.800 -0.196 0.000 1.109 288 F CA -0.399 57.510 58.000 -0.152 0.000 1.232 288 F CB 0.768 39.709 39.000 -0.098 0.000 1.157 288 F HN 0.199 nan 8.300 nan 0.000 0.564 289 V N 4.440 124.318 119.914 -0.060 0.000 2.971 289 V HA 0.600 4.743 4.120 0.038 0.000 0.309 289 V C -1.084 174.805 176.094 -0.342 0.000 1.130 289 V CA -0.807 61.304 62.300 -0.315 0.000 0.964 289 V CB 2.312 33.702 31.823 -0.722 0.000 1.029 289 V HN 0.760 nan 8.190 nan 0.000 0.427 290 R N 4.157 124.488 120.500 -0.282 0.000 2.599 290 R HA 0.554 4.917 4.340 0.038 0.000 0.295 290 R C -1.624 174.586 176.300 -0.149 0.000 0.963 290 R CA -0.461 55.548 56.100 -0.150 0.000 0.883 290 R CB 2.024 32.349 30.300 0.042 0.000 1.171 290 R HN 0.586 nan 8.270 nan 0.000 0.450 291 F N 2.206 122.200 119.950 0.073 0.000 2.384 291 F HA 0.347 4.896 4.527 0.037 0.000 0.338 291 F C 0.964 176.726 175.800 -0.062 0.000 1.103 291 F CA 0.106 58.104 58.000 -0.003 0.000 1.157 291 F CB 0.849 39.754 39.000 -0.159 0.000 1.167 291 F HN 0.209 nan 8.300 nan 0.000 0.529 292 H N 0.943 119.995 119.070 -0.031 0.000 2.851 292 H HA 0.232 4.812 4.556 0.040 0.000 0.372 292 H C -1.631 173.462 175.328 -0.393 0.000 1.158 292 H CA -1.011 54.918 56.048 -0.198 0.000 1.159 292 H CB 1.997 31.714 29.762 -0.074 0.000 1.757 292 H HN 0.672 nan 8.280 nan 0.000 0.546 293 W N 2.562 123.748 121.300 -0.190 0.000 2.538 293 W HA 0.323 5.004 4.660 0.035 0.000 0.322 293 W C -0.224 176.282 176.519 -0.022 0.000 1.028 293 W CA -0.679 56.571 57.345 -0.158 0.000 1.228 293 W CB 1.800 30.954 29.460 -0.511 0.000 1.356 293 W HN 0.208 nan 8.180 nan 0.000 0.452 294 K N 5.865 126.502 120.400 0.396 0.000 2.274 294 K HA 0.431 4.774 4.320 0.038 0.000 0.262 294 K C -2.595 174.218 176.600 0.355 0.000 0.961 294 K CA -1.861 54.603 56.287 0.296 0.000 0.833 294 K CB 1.953 34.579 32.500 0.209 0.000 1.102 294 K HN 0.067 nan 8.250 nan 0.000 0.436 295 P HA 0.097 nan 4.420 nan 0.000 0.281 295 P C 0.524 177.853 177.300 0.048 0.000 1.252 295 P CA -0.280 62.910 63.100 0.150 0.000 0.778 295 P CB 1.003 32.794 31.700 0.150 0.000 0.895 296 L N 2.673 123.868 121.223 -0.045 0.000 2.291 296 L HA -0.065 4.298 4.340 0.038 0.000 0.214 296 L C 2.227 179.084 176.870 -0.022 0.000 1.120 296 L CA 1.277 56.112 54.840 -0.009 0.000 0.799 296 L CB -0.540 41.515 42.059 -0.007 0.000 0.925 296 L HN 0.387 nan 8.230 nan 0.000 0.446 297 A N -0.159 122.625 122.820 -0.060 0.000 2.251 297 A HA 0.416 4.759 4.320 0.038 0.000 0.209 297 A C 1.186 178.771 177.584 0.002 0.000 1.187 297 A CA 0.650 52.667 52.037 -0.033 0.000 0.823 297 A CB -0.337 18.628 19.000 -0.058 0.000 0.846 297 A HN 0.437 nan 8.150 nan 0.000 0.486 298 G N -0.444 108.368 108.800 0.020 0.000 2.707 298 G HA2 -0.119 3.864 3.960 0.038 0.000 0.686 298 G HA3 -0.119 3.864 3.960 0.038 0.000 0.686 298 G C -0.691 174.229 174.900 0.035 0.000 1.315 298 G CA -0.530 44.594 45.100 0.041 0.000 0.832 298 G HN 0.424 nan 8.290 nan 0.000 0.573 299 K N 0.237 120.654 120.400 0.029 0.000 2.201 299 K HA 0.686 5.029 4.320 0.038 0.000 0.278 299 K C 0.173 176.732 176.600 -0.068 0.000 1.027 299 K CA 0.205 56.487 56.287 -0.008 0.000 0.909 299 K CB 1.759 34.239 32.500 -0.033 0.000 1.062 299 K HN 1.432 nan 8.250 nan 0.000 0.465 300 A N 1.921 124.695 122.820 -0.077 0.000 2.517 300 A HA 0.583 4.926 4.320 0.038 0.000 0.297 300 A C -1.054 176.558 177.584 0.047 0.000 1.050 300 A CA -0.660 51.275 52.037 -0.170 0.000 0.694 300 A CB 1.695 20.422 19.000 -0.454 0.000 1.277 300 A HN 0.532 nan 8.150 nan 0.000 0.400 301 S N 0.539 116.419 115.700 0.300 0.000 2.667 301 S HA 0.765 5.258 4.470 0.038 0.000 0.292 301 S C 0.006 174.898 174.600 0.486 0.000 1.126 301 S CA -0.603 57.818 58.200 0.368 0.000 0.881 301 S CB 1.217 64.633 63.200 0.359 0.000 1.132 301 S HN 0.642 nan 8.310 nan 0.000 0.492 302 L N 1.019 122.431 121.223 0.314 0.000 2.682 302 L HA 0.599 4.962 4.340 0.038 0.000 0.209 302 L C -0.119 176.862 176.870 0.185 0.000 1.195 302 L CA -0.792 54.163 54.840 0.190 0.000 0.869 302 L CB 0.114 42.195 42.059 0.037 0.000 1.599 302 L HN 0.501 nan 8.230 nan 0.000 0.518 303 V N -3.652 116.271 119.914 0.015 0.000 2.815 303 V HA 0.194 4.337 4.120 0.038 0.000 0.314 303 V C 0.555 176.601 176.094 -0.079 0.000 1.064 303 V CA -0.866 61.415 62.300 -0.033 0.000 0.952 303 V CB 1.641 33.414 31.823 -0.083 0.000 1.020 303 V HN 0.898 nan 8.190 nan 0.000 0.439 304 W N 1.759 122.927 121.300 -0.220 0.000 2.321 304 W HA -0.219 4.464 4.660 0.037 0.000 0.306 304 W C 1.730 178.096 176.519 -0.256 0.000 1.217 304 W CA 2.609 59.818 57.345 -0.226 0.000 1.257 304 W CB 0.005 29.317 29.460 -0.246 0.000 1.145 304 W HN 1.024 nan 8.180 nan 0.000 0.509 305 D N 0.167 120.288 120.400 -0.464 0.000 2.144 305 D HA -0.266 4.397 4.640 0.038 0.000 0.199 305 D C 2.124 178.093 176.300 -0.552 0.000 0.984 305 D CA 1.951 55.649 54.000 -0.503 0.000 0.834 305 D CB -0.423 40.313 40.800 -0.107 0.000 0.955 305 D HN 0.364 nan 8.370 nan 0.000 0.465 306 E N -0.349 119.426 120.200 -0.709 0.000 2.046 306 E HA -0.155 4.218 4.350 0.038 0.000 0.190 306 E C 2.028 178.307 176.600 -0.536 0.000 0.982 306 E CA 0.918 56.858 56.400 -0.766 0.000 0.800 306 E CB -0.193 28.880 29.700 -1.044 0.000 0.756 306 E HN 0.282 nan 8.360 nan 0.000 0.449 307 A N 1.368 123.892 122.820 -0.494 0.000 1.865 307 A HA -0.269 4.074 4.320 0.038 0.000 0.217 307 A C 2.212 179.475 177.584 -0.536 0.000 1.191 307 A CA 1.855 53.646 52.037 -0.409 0.000 0.623 307 A CB -0.802 18.068 19.000 -0.217 0.000 0.826 307 A HN 0.436 nan 8.150 nan 0.000 0.444 308 Q N -0.550 118.713 119.800 -0.896 0.000 2.061 308 Q HA -0.248 4.115 4.340 0.038 0.000 0.204 308 Q C 2.152 177.865 176.000 -0.479 0.000 0.984 308 Q CA 2.138 57.418 55.803 -0.871 0.000 0.846 308 Q CB -0.145 27.753 28.738 -1.400 0.000 0.902 308 Q HN 0.658 nan 8.270 nan 0.000 0.421 309 K N -0.141 120.009 120.400 -0.418 0.000 2.211 309 K HA -0.148 4.195 4.320 0.038 0.000 0.203 309 K C 1.925 178.384 176.600 -0.234 0.000 1.050 309 K CA 0.656 56.790 56.287 -0.255 0.000 0.945 309 K CB -0.094 32.297 32.500 -0.181 0.000 0.732 309 K HN 0.153 nan 8.250 nan 0.000 0.451 310 L N 1.162 122.206 121.223 -0.299 0.000 2.201 310 L HA -0.103 4.260 4.340 0.038 0.000 0.212 310 L C 2.048 178.788 176.870 -0.216 0.000 1.105 310 L CA 2.126 56.789 54.840 -0.295 0.000 0.775 310 L CB -0.877 40.923 42.059 -0.433 0.000 0.913 310 L HN 0.432 nan 8.230 nan 0.000 0.440 311 T N -4.590 109.842 114.554 -0.204 0.000 2.881 311 T HA -0.051 4.322 4.350 0.038 0.000 0.270 311 T C 1.799 176.438 174.700 -0.102 0.000 1.068 311 T CA 0.982 63.001 62.100 -0.134 0.000 1.131 311 T CB -0.761 68.037 68.868 -0.116 0.000 0.871 311 T HN 0.363 nan 8.240 nan 0.000 0.479 312 G N 1.002 109.736 108.800 -0.110 0.000 2.486 312 G HA2 0.043 4.026 3.960 0.038 0.000 0.210 312 G HA3 0.043 4.026 3.960 0.038 0.000 0.210 312 G C 1.891 176.750 174.900 -0.070 0.000 1.168 312 G CA -0.326 44.725 45.100 -0.081 0.000 0.820 312 G HN 0.284 nan 8.290 nan 0.000 0.544 313 R N 0.433 120.883 120.500 -0.083 0.000 2.075 313 R HA 0.003 4.366 4.340 0.038 0.000 0.232 313 R C -0.087 176.189 176.300 -0.040 0.000 1.126 313 R CA 1.026 57.089 56.100 -0.062 0.000 0.963 313 R CB -0.285 29.969 30.300 -0.078 0.000 0.858 313 R HN 0.335 nan 8.270 nan 0.000 0.435 314 D N -0.427 119.946 120.400 -0.045 0.000 2.472 314 D HA 0.149 4.812 4.640 0.038 0.000 0.248 314 D C -2.057 174.250 176.300 0.012 0.000 1.271 314 D CA -1.893 52.114 54.000 0.012 0.000 0.888 314 D CB 1.287 42.146 40.800 0.099 0.000 1.337 314 D HN -0.128 nan 8.370 nan 0.000 0.526 315 P HA 0.002 nan 4.420 nan 0.000 0.228 315 P C -0.018 177.290 177.300 0.013 0.000 1.151 315 P CA 0.626 63.717 63.100 -0.015 0.000 0.770 315 P CB 0.501 32.187 31.700 -0.023 0.000 0.786 316 D N -1.321 119.098 120.400 0.031 0.000 2.525 316 D HA 0.081 4.744 4.640 0.038 0.000 0.229 316 D C 1.138 177.472 176.300 0.056 0.000 1.202 316 D CA -0.477 53.544 54.000 0.034 0.000 0.828 316 D CB -0.478 40.320 40.800 -0.003 0.000 1.008 316 D HN 0.111 nan 8.370 nan 0.000 0.493 317 F N 1.373 121.274 119.950 -0.083 0.000 2.046 317 F HA -0.243 4.307 4.527 0.038 0.000 0.297 317 F C 2.173 177.960 175.800 -0.021 0.000 1.123 317 F CA 1.893 59.840 58.000 -0.089 0.000 1.199 317 F CB 0.006 38.899 39.000 -0.179 0.000 0.972 317 F HN 0.111 nan 8.300 nan 0.000 0.474 318 H N -1.018 117.934 119.070 -0.197 0.000 2.353 318 H HA -0.142 4.436 4.556 0.038 0.000 0.300 318 H C 2.405 177.624 175.328 -0.182 0.000 1.090 318 H CA 1.078 56.888 56.048 -0.396 0.000 1.327 318 H CB -0.146 29.253 29.762 -0.606 0.000 1.383 318 H HN 0.208 nan 8.280 nan 0.000 0.508 319 R N 1.229 121.820 120.500 0.152 0.000 2.081 319 R HA -0.134 4.229 4.340 0.038 0.000 0.235 319 R C 2.465 178.856 176.300 0.152 0.000 1.131 319 R CA 1.396 57.633 56.100 0.228 0.000 0.960 319 R CB -0.043 30.378 30.300 0.203 0.000 0.856 319 R HN 0.206 nan 8.270 nan 0.000 0.436 320 R N 0.562 121.075 120.500 0.022 0.000 2.066 320 R HA -0.174 4.189 4.340 0.038 0.000 0.232 320 R C 2.168 178.462 176.300 -0.010 0.000 1.131 320 R CA 2.050 58.149 56.100 -0.002 0.000 0.955 320 R CB -0.169 30.093 30.300 -0.063 0.000 0.851 320 R HN 0.376 nan 8.270 nan 0.000 0.432 321 E N 0.512 120.592 120.200 -0.200 0.000 2.150 321 E HA -0.194 4.179 4.350 0.038 0.000 0.193 321 E C 1.920 178.495 176.600 -0.043 0.000 0.985 321 E CA 1.071 57.352 56.400 -0.199 0.000 0.814 321 E CB -0.563 28.897 29.700 -0.401 0.000 0.752 321 E HN 0.375 nan 8.360 nan 0.000 0.466 322 L N 0.018 121.255 121.223 0.025 0.000 2.056 322 L HA -0.053 4.310 4.340 0.038 0.000 0.207 322 L C 2.234 179.200 176.870 0.161 0.000 1.078 322 L CA 1.810 56.710 54.840 0.099 0.000 0.749 322 L CB -0.605 41.568 42.059 0.189 0.000 0.901 322 L HN 0.385 nan 8.230 nan 0.000 0.433 323 W N 0.872 122.203 121.300 0.052 0.000 2.335 323 W HA -0.245 4.437 4.660 0.036 0.000 0.311 323 W C 2.205 178.753 176.519 0.047 0.000 1.213 323 W CA 2.306 59.692 57.345 0.068 0.000 1.274 323 W CB -0.143 29.358 29.460 0.069 0.000 1.148 323 W HN 0.330 nan 8.180 nan 0.000 0.498 324 E N -0.270 120.105 120.200 0.290 0.000 2.152 324 E HA -0.106 4.267 4.350 0.038 0.000 0.192 324 E C 2.351 178.984 176.600 0.055 0.000 0.983 324 E CA 0.916 57.414 56.400 0.163 0.000 0.818 324 E CB -0.279 29.475 29.700 0.089 0.000 0.758 324 E HN 0.184 nan 8.360 nan 0.000 0.467 325 A N 1.316 124.166 122.820 0.049 0.000 1.877 325 A HA -0.176 4.167 4.320 0.038 0.000 0.216 325 A C 2.140 179.757 177.584 0.055 0.000 1.186 325 A CA 1.066 53.125 52.037 0.037 0.000 0.620 325 A CB -0.566 18.456 19.000 0.037 0.000 0.822 325 A HN 0.145 nan 8.150 nan 0.000 0.443 326 I N -0.543 120.075 120.570 0.081 0.000 2.286 326 I HA -0.227 3.966 4.170 0.038 0.000 0.248 326 I C 2.326 178.513 176.117 0.117 0.000 1.115 326 I CA 1.419 62.811 61.300 0.153 0.000 1.392 326 I CB -0.448 37.563 38.000 0.017 0.000 1.065 326 I HN 0.434 nan 8.210 nan 0.000 0.418 327 E N 0.753 120.974 120.200 0.035 0.000 2.274 327 E HA -0.081 4.292 4.350 0.038 0.000 0.194 327 E C 2.079 178.701 176.600 0.038 0.000 0.996 327 E CA 0.859 57.291 56.400 0.053 0.000 0.840 327 E CB 0.055 29.816 29.700 0.100 0.000 0.772 327 E HN 0.479 nan 8.360 nan 0.000 0.491 328 A N -0.015 122.805 122.820 -0.000 0.000 2.195 328 A HA 0.269 4.612 4.320 0.038 0.000 0.210 328 A C 1.682 179.216 177.584 -0.083 0.000 1.165 328 A CA 0.806 52.823 52.037 -0.033 0.000 0.806 328 A CB 0.081 19.039 19.000 -0.071 0.000 0.847 328 A HN 0.295 nan 8.150 nan 0.000 0.482 329 G N -0.277 108.413 108.800 -0.184 0.000 2.141 329 G HA2 -0.180 3.803 3.960 0.038 0.000 0.242 329 G HA3 -0.180 3.803 3.960 0.038 0.000 0.242 329 G C -0.280 174.192 174.900 -0.712 0.000 0.982 329 G CA 0.217 44.926 45.100 -0.652 0.000 0.662 329 G HN 0.406 nan 8.290 nan 0.000 0.527 330 D N 0.899 121.120 120.400 -0.299 0.000 3.057 330 D HA 0.260 4.923 4.640 0.038 0.000 0.246 330 D C 0.888 177.151 176.300 -0.062 0.000 1.238 330 D CA -0.248 53.657 54.000 -0.159 0.000 0.949 330 D CB -0.671 40.127 40.800 -0.003 0.000 1.086 330 D HN 0.468 nan 8.370 nan 0.000 0.487 331 F N 1.327 121.277 119.950 0.000 0.000 2.612 331 F HA 0.056 4.606 4.527 0.039 0.000 0.389 331 F C -1.373 174.395 175.800 -0.053 0.000 1.055 331 F CA -1.791 56.199 58.000 -0.016 0.000 1.232 331 F CB -0.208 38.792 39.000 -0.000 0.000 1.044 331 F HN -0.107 nan 8.300 nan 0.000 0.560 332 P HA 0.033 nan 4.420 nan 0.000 0.263 332 P C -1.002 176.213 177.300 -0.142 0.000 1.195 332 P CA 0.338 63.404 63.100 -0.057 0.000 0.762 332 P CB 0.479 32.215 31.700 0.059 0.000 0.799 333 E N 2.587 122.568 120.200 -0.364 0.000 2.248 333 E HA 0.449 4.822 4.350 0.038 0.000 0.267 333 E C -1.042 175.294 176.600 -0.439 0.000 0.877 333 E CA -0.595 55.662 56.400 -0.238 0.000 0.759 333 E CB 1.554 31.220 29.700 -0.056 0.000 1.182 333 E HN 0.387 nan 8.360 nan 0.000 0.418 334 Y N 0.229 120.615 120.300 0.143 0.000 2.524 334 Y HA 0.285 4.860 4.550 0.041 0.000 0.347 334 Y C -0.041 176.091 175.900 0.388 0.000 1.005 334 Y CA -1.001 57.256 58.100 0.261 0.000 1.025 334 Y CB 1.895 40.504 38.460 0.248 0.000 1.275 334 Y HN 0.335 nan 8.280 nan 0.000 0.460 335 E N 2.285 122.799 120.200 0.523 0.000 2.191 335 E HA 0.359 4.732 4.350 0.038 0.000 0.278 335 E C -1.369 175.441 176.600 0.351 0.000 0.972 335 E CA -1.072 55.553 56.400 0.374 0.000 0.804 335 E CB 2.375 32.220 29.700 0.241 0.000 1.110 335 E HN 0.405 nan 8.360 nan 0.000 0.394 336 L N 2.159 123.467 121.223 0.142 0.000 2.326 336 L HA 0.485 4.848 4.340 0.038 0.000 0.278 336 L C -0.121 176.623 176.870 -0.210 0.000 1.092 336 L CA 0.316 54.982 54.840 -0.290 0.000 0.810 336 L CB 1.044 42.875 42.059 -0.379 0.000 1.153 336 L HN 0.552 nan 8.230 nan 0.000 0.439 337 G N 4.669 113.381 108.800 -0.147 0.000 2.662 337 G HA2 0.504 4.487 3.960 0.038 0.000 0.302 337 G HA3 0.504 4.487 3.960 0.038 0.000 0.302 337 G C -1.473 173.553 174.900 0.211 0.000 1.389 337 G CA -0.482 44.590 45.100 -0.046 0.000 0.998 337 G HN 0.473 nan 8.290 nan 0.000 0.502 338 F N 0.610 120.530 119.950 -0.050 0.000 2.436 338 F HA 0.373 4.923 4.527 0.039 0.000 0.340 338 F C 0.564 176.313 175.800 -0.086 0.000 1.113 338 F CA -0.934 57.026 58.000 -0.067 0.000 1.022 338 F CB 2.357 41.312 39.000 -0.075 0.000 1.128 338 F HN 0.129 nan 8.300 nan 0.000 0.466 339 Q N 4.411 124.266 119.800 0.092 0.000 2.331 339 Q HA 0.439 4.802 4.340 0.038 0.000 0.257 339 Q C -1.010 175.002 176.000 0.020 0.000 0.957 339 Q CA -0.404 55.420 55.803 0.035 0.000 0.923 339 Q CB 1.762 30.523 28.738 0.039 0.000 1.212 339 Q HN 0.550 nan 8.270 nan 0.000 0.443 340 L N 4.365 125.616 121.223 0.047 0.000 2.307 340 L HA 0.553 4.916 4.340 0.038 0.000 0.284 340 L C -0.837 176.078 176.870 0.075 0.000 1.023 340 L CA -0.818 54.042 54.840 0.033 0.000 0.810 340 L CB 1.159 43.245 42.059 0.045 0.000 1.231 340 L HN 0.508 nan 8.230 nan 0.000 0.423 341 I N 4.561 125.195 120.570 0.107 0.000 2.468 341 I HA 0.404 4.597 4.170 0.038 0.000 0.285 341 I C -2.306 173.912 176.117 0.168 0.000 1.039 341 I CA -1.850 59.554 61.300 0.174 0.000 1.074 341 I CB 1.643 39.793 38.000 0.250 0.000 1.228 341 I HN 0.297 nan 8.210 nan 0.000 0.436 342 P HA 0.065 nan 4.420 nan 0.000 0.269 342 P C 0.764 178.120 177.300 0.094 0.000 1.215 342 P CA -0.205 62.921 63.100 0.043 0.000 0.780 342 P CB 0.886 32.601 31.700 0.025 0.000 0.898 343 E N 1.226 121.408 120.200 -0.031 0.000 2.118 343 E HA -0.263 4.110 4.350 0.038 0.000 0.195 343 E C 0.865 177.538 176.600 0.121 0.000 0.992 343 E CA 1.399 57.788 56.400 -0.019 0.000 0.804 343 E CB 0.010 29.581 29.700 -0.215 0.000 0.741 343 E HN 0.412 nan 8.360 nan 0.000 0.458 344 E N 0.619 120.861 120.200 0.070 0.000 2.338 344 E HA -0.128 4.245 4.350 0.038 0.000 0.197 344 E C 0.827 177.467 176.600 0.067 0.000 1.007 344 E CA 1.046 57.490 56.400 0.074 0.000 0.849 344 E CB 0.035 29.760 29.700 0.042 0.000 0.774 344 E HN 0.257 nan 8.360 nan 0.000 0.506 345 D N 0.087 120.519 120.400 0.054 0.000 2.328 345 D HA -0.032 4.631 4.640 0.038 0.000 0.221 345 D C 1.294 177.559 176.300 -0.058 0.000 1.072 345 D CA 0.110 54.097 54.000 -0.021 0.000 0.850 345 D CB -0.009 40.776 40.800 -0.026 0.000 0.922 345 D HN 0.307 nan 8.370 nan 0.000 0.516 346 E N -0.044 120.122 120.200 -0.056 0.000 2.147 346 E HA -0.216 4.157 4.350 0.038 0.000 0.199 346 E C 0.340 176.614 176.600 -0.543 0.000 1.005 346 E CA 1.082 57.268 56.400 -0.356 0.000 0.810 346 E CB -0.047 29.335 29.700 -0.530 0.000 0.736 346 E HN 0.281 nan 8.360 nan 0.000 0.460 347 F N -0.408 119.508 119.950 -0.057 0.000 2.730 347 F HA 0.288 4.838 4.527 0.038 0.000 0.295 347 F C 1.316 176.996 175.800 -0.200 0.000 1.143 347 F CA -0.453 57.490 58.000 -0.096 0.000 1.367 347 F CB 0.554 39.522 39.000 -0.052 0.000 0.970 347 F HN -0.165 nan 8.300 nan 0.000 0.514 348 K N 0.292 120.518 120.400 -0.289 0.000 2.305 348 K HA 0.105 4.448 4.320 0.038 0.000 0.199 348 K C 0.071 176.281 176.600 -0.650 0.000 1.047 348 K CA 0.616 56.584 56.287 -0.531 0.000 0.976 348 K CB -0.052 31.936 32.500 -0.853 0.000 0.765 348 K HN 0.091 nan 8.250 nan 0.000 0.474 349 F N 0.528 120.312 119.950 -0.277 0.000 2.380 349 F HA 0.143 4.693 4.527 0.039 0.000 0.319 349 F C 1.046 176.641 175.800 -0.341 0.000 1.113 349 F CA -1.122 56.613 58.000 -0.442 0.000 1.056 349 F CB 0.541 38.923 39.000 -1.031 0.000 1.289 349 F HN 0.003 nan 8.300 nan 0.000 0.515 350 D N -0.416 119.972 120.400 -0.021 0.000 2.336 350 D HA 0.091 4.754 4.640 0.038 0.000 0.228 350 D C -0.552 175.832 176.300 0.141 0.000 1.120 350 D CA 0.003 54.040 54.000 0.062 0.000 0.839 350 D CB -0.931 39.934 40.800 0.108 0.000 0.932 350 D HN 0.247 nan 8.370 nan 0.000 0.509 351 F N -1.773 118.270 119.950 0.154 0.000 2.611 351 F HA 0.568 5.118 4.527 0.038 0.000 0.324 351 F C -0.306 175.515 175.800 0.034 0.000 1.061 351 F CA -1.779 56.250 58.000 0.048 0.000 0.954 351 F CB 0.998 39.991 39.000 -0.011 0.000 1.301 351 F HN -0.334 nan 8.300 nan 0.000 0.482 352 D N 1.588 122.095 120.400 0.179 0.000 2.304 352 D HA 0.211 4.874 4.640 0.038 0.000 0.250 352 D C 0.911 177.252 176.300 0.068 0.000 1.107 352 D CA -0.059 53.982 54.000 0.068 0.000 0.885 352 D CB 1.589 42.434 40.800 0.076 0.000 1.192 352 D HN 0.760 nan 8.370 nan 0.000 0.436 353 L N 3.240 124.429 121.223 -0.058 0.000 2.275 353 L HA -0.082 4.281 4.340 0.038 0.000 0.215 353 L C 1.906 178.689 176.870 -0.145 0.000 1.119 353 L CA 0.611 55.389 54.840 -0.104 0.000 0.790 353 L CB 0.001 41.861 42.059 -0.330 0.000 0.919 353 L HN 0.425 nan 8.230 nan 0.000 0.443 354 L N -1.060 120.090 121.223 -0.122 0.000 2.592 354 L HA 0.074 4.437 4.340 0.038 0.000 0.227 354 L C 0.355 177.120 176.870 -0.175 0.000 1.127 354 L CA -0.142 54.666 54.840 -0.054 0.000 0.884 354 L CB -0.255 41.880 42.059 0.126 0.000 1.065 354 L HN 0.087 nan 8.230 nan 0.000 0.457 355 D N 2.136 122.234 120.400 -0.504 0.000 2.347 355 D HA 0.118 4.781 4.640 0.038 0.000 0.235 355 D C -1.613 174.457 176.300 -0.382 0.000 1.149 355 D CA -2.303 51.187 54.000 -0.850 0.000 0.850 355 D CB 1.532 41.646 40.800 -1.144 0.000 1.061 355 D HN -0.065 nan 8.370 nan 0.000 0.487 356 P HA -0.021 nan 4.420 nan 0.000 0.245 356 P C 0.738 177.943 177.300 -0.159 0.000 1.212 356 P CA 0.514 63.530 63.100 -0.139 0.000 0.774 356 P CB -0.060 31.637 31.700 -0.005 0.000 0.999 357 T N -4.536 109.907 114.554 -0.185 0.000 3.069 357 T HA 0.186 4.559 4.350 0.038 0.000 0.252 357 T C 0.646 175.241 174.700 -0.176 0.000 1.053 357 T CA -0.217 61.793 62.100 -0.149 0.000 0.964 357 T CB -0.132 68.688 68.868 -0.081 0.000 1.005 357 T HN -0.178 nan 8.240 nan 0.000 0.532 358 K N 2.385 122.585 120.400 -0.333 0.000 2.274 358 K HA 0.564 4.907 4.320 0.038 0.000 0.262 358 K C -0.259 176.108 176.600 -0.388 0.000 0.961 358 K CA -0.865 55.084 56.287 -0.564 0.000 0.833 358 K CB 2.058 34.105 32.500 -0.755 0.000 1.102 358 K HN 0.323 nan 8.250 nan 0.000 0.436 359 L N -0.188 120.941 121.223 -0.157 0.000 2.431 359 L HA 0.652 5.015 4.340 0.038 0.000 0.260 359 L C -0.005 176.685 176.870 -0.299 0.000 1.098 359 L CA -0.403 54.346 54.840 -0.151 0.000 0.800 359 L CB 0.305 42.376 42.059 0.021 0.000 1.210 359 L HN 0.457 nan 8.230 nan 0.000 0.465 360 I N 1.434 121.921 120.570 -0.138 0.000 2.371 360 I HA 0.368 4.561 4.170 0.038 0.000 0.282 360 I C -2.175 173.953 176.117 0.019 0.000 1.031 360 I CA -1.741 59.515 61.300 -0.074 0.000 1.180 360 I CB 1.297 39.268 38.000 -0.047 0.000 1.336 360 I HN 0.476 nan 8.210 nan 0.000 0.467 361 P HA 0.023 nan 4.420 nan 0.000 0.264 361 P C 0.385 177.731 177.300 0.077 0.000 1.193 361 P CA 0.104 63.242 63.100 0.063 0.000 0.763 361 P CB 0.560 32.287 31.700 0.045 0.000 0.810 362 E N 2.140 122.398 120.200 0.097 0.000 2.204 362 E HA -0.200 4.173 4.350 0.038 0.000 0.195 362 E C 1.335 177.973 176.600 0.064 0.000 0.990 362 E CA 0.829 57.271 56.400 0.070 0.000 0.821 362 E CB -0.044 29.701 29.700 0.076 0.000 0.750 362 E HN 0.555 nan 8.360 nan 0.000 0.477 363 E N 0.600 120.841 120.200 0.068 0.000 2.160 363 E HA -0.154 4.219 4.350 0.038 0.000 0.195 363 E C 2.136 178.785 176.600 0.082 0.000 0.991 363 E CA 0.767 57.206 56.400 0.065 0.000 0.810 363 E CB 0.033 29.767 29.700 0.057 0.000 0.742 363 E HN 0.372 nan 8.360 nan 0.000 0.466 364 L N -0.226 121.058 121.223 0.101 0.000 2.168 364 L HA 0.032 4.395 4.340 0.038 0.000 0.203 364 L C 0.724 177.680 176.870 0.143 0.000 1.078 364 L CA 0.524 55.453 54.840 0.149 0.000 0.780 364 L CB 0.428 42.615 42.059 0.213 0.000 0.939 364 L HN -0.182 nan 8.230 nan 0.000 0.451 365 V N 1.624 121.596 119.914 0.097 0.000 2.445 365 V HA 0.288 4.431 4.120 0.038 0.000 0.283 365 V C -2.302 173.819 176.094 0.044 0.000 1.014 365 V CA -1.428 60.923 62.300 0.085 0.000 0.852 365 V CB 1.545 33.416 31.823 0.079 0.000 1.021 365 V HN -0.009 nan 8.190 nan 0.000 0.435 366 P HA 0.132 nan 4.420 nan 0.000 0.269 366 P C -0.311 176.978 177.300 -0.019 0.000 1.215 366 P CA 0.091 63.199 63.100 0.013 0.000 0.780 366 P CB 1.254 32.970 31.700 0.026 0.000 0.898 367 V N 3.120 122.994 119.914 -0.067 0.000 2.432 367 V HA 0.112 4.255 4.120 0.038 0.000 0.271 367 V C 0.914 176.988 176.094 -0.035 0.000 1.046 367 V CA -0.028 62.203 62.300 -0.114 0.000 0.945 367 V CB 0.285 31.965 31.823 -0.237 0.000 0.992 367 V HN 0.530 nan 8.190 nan 0.000 0.471 368 Q N 5.366 125.162 119.800 -0.006 0.000 2.314 368 Q HA 0.273 4.636 4.340 0.038 0.000 0.257 368 Q C 0.329 176.301 176.000 -0.046 0.000 0.975 368 Q CA -0.646 55.154 55.803 -0.004 0.000 0.933 368 Q CB 0.617 29.366 28.738 0.019 0.000 1.195 368 Q HN 0.768 nan 8.270 nan 0.000 0.426 369 R N 1.935 122.436 120.500 0.002 0.000 2.449 369 R HA 0.084 4.447 4.340 0.038 0.000 0.296 369 R C -0.233 176.038 176.300 -0.049 0.000 1.047 369 R CA -0.207 55.907 56.100 0.022 0.000 1.018 369 R CB 0.644 31.047 30.300 0.172 0.000 0.962 369 R HN 0.410 nan 8.270 nan 0.000 0.428 370 V N 1.602 121.358 119.914 -0.263 0.000 3.451 370 V HA 0.315 4.458 4.120 0.038 0.000 0.288 370 V C 0.429 176.218 176.094 -0.508 0.000 1.502 370 V CA 0.880 62.958 62.300 -0.371 0.000 1.026 370 V CB 0.926 32.322 31.823 -0.711 0.000 0.840 370 V HN 1.085 nan 8.190 nan 0.000 0.437 371 G N -0.113 108.207 108.800 -0.800 0.000 2.349 371 G HA2 0.455 4.438 3.960 0.038 0.000 0.294 371 G HA3 0.455 4.438 3.960 0.038 0.000 0.294 371 G C -1.823 172.694 174.900 -0.638 0.000 1.380 371 G CA -0.535 44.005 45.100 -0.934 0.000 0.811 371 G HN 0.029 nan 8.290 nan 0.000 0.519 372 K N -0.582 119.541 120.400 -0.461 0.000 2.426 372 K HA 0.740 5.083 4.320 0.038 0.000 0.251 372 K C -1.034 175.661 176.600 0.159 0.000 0.941 372 K CA -0.891 55.412 56.287 0.027 0.000 0.808 372 K CB 2.277 34.849 32.500 0.120 0.000 1.265 372 K HN 0.643 nan 8.250 nan 0.000 0.432 373 M N 4.128 123.942 119.600 0.357 0.000 2.383 373 M HA 0.424 4.927 4.480 0.038 0.000 0.325 373 M C -1.782 174.523 176.300 0.010 0.000 1.092 373 M CA -0.720 54.705 55.300 0.209 0.000 0.961 373 M CB 1.785 34.544 32.600 0.265 0.000 1.672 373 M HN 0.339 nan 8.290 nan 0.000 0.438 374 V N 5.226 124.977 119.914 -0.272 0.000 2.604 374 V HA 0.520 4.663 4.120 0.038 0.000 0.305 374 V C -1.102 174.839 176.094 -0.255 0.000 1.043 374 V CA -0.815 61.324 62.300 -0.269 0.000 0.888 374 V CB 1.869 33.436 31.823 -0.425 0.000 0.995 374 V HN 0.701 nan 8.190 nan 0.000 0.429 375 L N 5.440 126.592 121.223 -0.119 0.000 2.295 375 L HA 0.544 4.907 4.340 0.038 0.000 0.281 375 L C 0.480 177.214 176.870 -0.227 0.000 1.018 375 L CA 0.104 54.877 54.840 -0.111 0.000 0.841 375 L CB 1.207 43.265 42.059 -0.000 0.000 1.218 375 L HN 0.854 nan 8.230 nan 0.000 0.424 376 N N 1.831 120.309 118.700 -0.370 0.000 2.240 376 N HA 0.191 4.954 4.740 0.038 0.000 0.240 376 N C -0.068 175.205 175.510 -0.394 0.000 1.277 376 N CA -0.334 52.220 53.050 -0.826 0.000 0.873 376 N CB 0.772 38.458 38.487 -1.335 0.000 1.222 376 N HN 0.249 nan 8.380 nan 0.000 0.507 377 R N 0.614 121.011 120.500 -0.173 0.000 2.536 377 R HA 0.313 4.676 4.340 0.038 0.000 0.269 377 R C -1.422 174.833 176.300 -0.076 0.000 1.113 377 R CA -0.381 55.656 56.100 -0.106 0.000 0.948 377 R CB 1.324 31.579 30.300 -0.075 0.000 1.237 377 R HN 0.068 nan 8.270 nan 0.000 0.441 378 N N 3.528 122.084 118.700 -0.240 0.000 2.503 378 N HA 0.332 5.095 4.740 0.038 0.000 0.267 378 N C -2.171 173.282 175.510 -0.095 0.000 1.214 378 N CA -1.286 51.495 53.050 -0.450 0.000 0.959 378 N CB 0.691 38.406 38.487 -1.288 0.000 1.142 378 N HN 0.292 nan 8.380 nan 0.000 0.455 379 P HA 0.109 nan 4.420 nan 0.000 0.274 379 P C 0.089 177.555 177.300 0.278 0.000 1.260 379 P CA -0.084 63.188 63.100 0.287 0.000 0.793 379 P CB 1.091 32.999 31.700 0.346 0.000 1.048 380 D N -1.252 119.294 120.400 0.242 0.000 2.262 380 D HA -0.006 4.657 4.640 0.038 0.000 0.212 380 D C 0.391 176.853 176.300 0.270 0.000 0.964 380 D CA 1.250 55.388 54.000 0.230 0.000 0.875 380 D CB 0.302 41.186 40.800 0.139 0.000 0.996 380 D HN 0.386 nan 8.370 nan 0.000 0.497 381 N N -0.234 118.622 118.700 0.261 0.000 2.480 381 N HA 0.001 4.764 4.740 0.038 0.000 0.289 381 N C -0.001 175.698 175.510 0.316 0.000 1.073 381 N CA -0.341 52.875 53.050 0.277 0.000 0.885 381 N CB 1.534 40.153 38.487 0.221 0.000 1.421 381 N HN -0.193 nan 8.380 nan 0.000 0.503 382 F N 4.188 124.282 119.950 0.240 0.000 2.065 382 F HA -0.197 4.352 4.527 0.038 0.000 0.298 382 F C 1.720 177.650 175.800 0.216 0.000 1.112 382 F CA 1.696 59.837 58.000 0.235 0.000 1.212 382 F CB -0.150 38.965 39.000 0.192 0.000 0.975 382 F HN 0.622 nan 8.300 nan 0.000 0.476 383 F N 0.799 120.942 119.950 0.322 0.000 2.075 383 F HA -0.123 4.429 4.527 0.041 0.000 0.297 383 F C 2.313 178.149 175.800 0.059 0.000 1.113 383 F CA 1.752 59.867 58.000 0.192 0.000 1.218 383 F CB -0.993 38.115 39.000 0.180 0.000 0.984 383 F HN -0.009 nan 8.300 nan 0.000 0.472 384 A N -0.506 122.457 122.820 0.239 0.000 1.972 384 A HA -0.164 4.179 4.320 0.038 0.000 0.219 384 A C 2.077 179.595 177.584 -0.110 0.000 1.169 384 A CA 2.086 54.170 52.037 0.078 0.000 0.635 384 A CB -0.618 18.473 19.000 0.152 0.000 0.810 384 A HN 0.612 nan 8.150 nan 0.000 0.446 385 E N -1.741 118.398 120.200 -0.103 0.000 2.228 385 E HA -0.042 4.331 4.350 0.038 0.000 0.197 385 E C 1.921 178.419 176.600 -0.169 0.000 0.909 385 E CA 0.332 56.620 56.400 -0.186 0.000 0.911 385 E CB -0.076 29.579 29.700 -0.075 0.000 0.887 385 E HN 0.545 nan 8.360 nan 0.000 0.481 386 N N 1.279 119.858 118.700 -0.202 0.000 2.197 386 N HA -0.152 4.611 4.740 0.038 0.000 0.184 386 N C 1.780 177.110 175.510 -0.300 0.000 1.030 386 N CA 1.293 54.180 53.050 -0.272 0.000 0.851 386 N CB 0.134 38.124 38.487 -0.829 0.000 1.003 386 N HN -0.068 nan 8.380 nan 0.000 0.430 387 E N 0.814 120.774 120.200 -0.400 0.000 2.110 387 E HA -0.081 4.292 4.350 0.038 0.000 0.193 387 E C 1.626 178.030 176.600 -0.327 0.000 0.988 387 E CA 1.394 57.623 56.400 -0.286 0.000 0.804 387 E CB -0.115 29.447 29.700 -0.231 0.000 0.745 387 E HN 0.496 nan 8.360 nan 0.000 0.458 388 Q N -0.346 119.208 119.800 -0.410 0.000 2.403 388 Q HA 0.245 4.608 4.340 0.038 0.000 0.203 388 Q C 0.010 175.884 176.000 -0.211 0.000 0.932 388 Q CA 0.227 55.836 55.803 -0.324 0.000 0.945 388 Q CB 0.499 29.036 28.738 -0.335 0.000 1.045 388 Q HN 0.194 nan 8.270 nan 0.000 0.511 389 A N 1.194 123.907 122.820 -0.178 0.000 2.477 389 A HA 0.475 4.818 4.320 0.038 0.000 0.246 389 A C -0.162 177.310 177.584 -0.188 0.000 1.078 389 A CA 0.092 52.006 52.037 -0.204 0.000 0.770 389 A CB 0.271 19.214 19.000 -0.095 0.000 1.011 389 A HN 0.267 nan 8.150 nan 0.000 0.494 390 A N 2.587 125.223 122.820 -0.306 0.000 2.310 390 A HA 0.696 5.039 4.320 0.038 0.000 0.304 390 A C -0.740 176.702 177.584 -0.235 0.000 1.231 390 A CA -0.422 51.496 52.037 -0.199 0.000 0.799 390 A CB 0.194 19.074 19.000 -0.200 0.000 1.162 390 A HN 0.649 nan 8.150 nan 0.000 0.486 391 F N 1.136 121.085 119.950 -0.002 0.000 2.450 391 F HA 0.618 5.164 4.527 0.030 0.000 0.332 391 F C 0.347 176.142 175.800 -0.009 0.000 1.093 391 F CA -0.258 57.735 58.000 -0.013 0.000 1.003 391 F CB 1.897 40.840 39.000 -0.095 0.000 1.151 391 F HN 0.722 nan 8.300 nan 0.000 0.474 392 H N 3.630 122.587 119.070 -0.189 0.000 3.017 392 H HA 0.301 4.879 4.556 0.037 0.000 0.340 392 H C -2.366 172.603 175.328 -0.598 0.000 1.014 392 H CA -2.246 53.440 56.048 -0.604 0.000 1.341 392 H CB 2.543 31.836 29.762 -0.783 0.000 1.739 392 H HN 0.160 nan 8.280 nan 0.000 0.506 393 P HA -0.061 nan 4.420 nan 0.000 0.222 393 P C 1.215 178.268 177.300 -0.411 0.000 1.147 393 P CA 1.490 64.239 63.100 -0.586 0.000 0.790 393 P CB 0.107 31.477 31.700 -0.549 0.000 0.780 394 G N -1.317 106.912 108.800 -0.952 0.000 2.598 394 G HA2 -0.144 3.839 3.960 0.038 0.000 0.215 394 G HA3 -0.144 3.839 3.960 0.038 0.000 0.215 394 G C 0.385 175.301 174.900 0.028 0.000 1.131 394 G CA 0.001 44.853 45.100 -0.413 0.000 0.785 394 G HN 0.423 nan 8.290 nan 0.000 0.539 395 H N 0.765 119.811 119.070 -0.041 0.000 3.118 395 H HA 0.364 4.948 4.556 0.048 0.000 0.266 395 H C 0.570 175.968 175.328 0.115 0.000 1.465 395 H CA -0.743 55.339 56.048 0.058 0.000 1.460 395 H CB -0.006 29.783 29.762 0.045 0.000 1.661 395 H HN 0.374 nan 8.280 nan 0.000 0.516 396 I N -0.364 120.305 120.570 0.166 0.000 3.237 396 I HA 0.698 4.891 4.170 0.038 0.000 0.308 396 I C -0.240 175.853 176.117 -0.039 0.000 1.093 396 I CA -1.458 59.873 61.300 0.051 0.000 1.001 396 I CB 1.837 39.768 38.000 -0.114 0.000 1.245 396 I HN 0.123 nan 8.210 nan 0.000 0.485 397 V N -2.572 117.284 119.914 -0.097 0.000 3.074 397 V HA 0.664 4.807 4.120 0.038 0.000 0.314 397 V C -2.816 173.344 176.094 0.110 0.000 1.117 397 V CA -2.550 59.756 62.300 0.010 0.000 1.014 397 V CB 0.918 32.726 31.823 -0.025 0.000 1.057 397 V HN 0.622 nan 8.190 nan 0.000 0.438 398 P HA 0.374 nan 4.420 nan 0.000 0.264 398 P C 0.893 178.184 177.300 -0.014 0.000 1.193 398 P CA 1.803 64.966 63.100 0.106 0.000 0.763 398 P CB 0.669 32.414 31.700 0.075 0.000 0.810 399 G N 1.679 110.428 108.800 -0.084 0.000 2.231 399 G HA2 -0.154 3.829 3.960 0.038 0.000 0.206 399 G HA3 -0.154 3.829 3.960 0.038 0.000 0.206 399 G C -0.325 174.484 174.900 -0.152 0.000 0.996 399 G CA -0.449 44.581 45.100 -0.116 0.000 0.645 399 G HN 0.449 nan 8.290 nan 0.000 0.498 400 L N 0.257 121.398 121.223 -0.138 0.000 2.323 400 L HA 0.937 5.300 4.340 0.038 0.000 0.265 400 L C -0.543 176.251 176.870 -0.127 0.000 1.012 400 L CA -0.959 53.778 54.840 -0.172 0.000 0.820 400 L CB 2.201 44.084 42.059 -0.294 0.000 1.334 400 L HN 0.109 nan 8.230 nan 0.000 0.427 401 D N -0.706 119.603 120.400 -0.153 0.000 2.671 401 D HA 0.419 5.082 4.640 0.038 0.000 0.273 401 D C -1.244 174.939 176.300 -0.195 0.000 1.264 401 D CA -0.391 53.474 54.000 -0.224 0.000 0.788 401 D CB 1.680 42.434 40.800 -0.077 0.000 1.324 401 D HN 0.107 nan 8.370 nan 0.000 0.424 402 F N -0.124 119.936 119.950 0.182 0.000 2.321 402 F HA 0.558 5.116 4.527 0.053 0.000 0.318 402 F C 1.496 177.320 175.800 0.040 0.000 1.129 402 F CA -0.211 57.828 58.000 0.065 0.000 1.074 402 F CB 0.992 39.996 39.000 0.006 0.000 1.432 402 F HN 0.222 nan 8.300 nan 0.000 0.502 403 T N -3.260 111.408 114.554 0.190 0.000 2.804 403 T HA 0.311 4.684 4.350 0.038 0.000 0.290 403 T C -0.218 174.526 174.700 0.074 0.000 1.099 403 T CA -1.020 61.164 62.100 0.140 0.000 1.011 403 T CB 1.243 70.174 68.868 0.104 0.000 1.291 403 T HN 0.336 nan 8.240 nan 0.000 0.523 404 N N 1.186 119.933 118.700 0.079 0.000 2.434 404 N HA 0.071 4.834 4.740 0.038 0.000 0.196 404 N C -0.051 175.487 175.510 0.047 0.000 1.183 404 N CA 0.031 53.114 53.050 0.054 0.000 0.849 404 N CB -0.373 38.159 38.487 0.075 0.000 0.992 404 N HN 0.673 nan 8.380 nan 0.000 0.460 405 D N 2.224 122.637 120.400 0.022 0.000 2.502 405 D HA -0.049 4.614 4.640 0.038 0.000 0.249 405 D C -1.254 175.069 176.300 0.038 0.000 1.188 405 D CA -1.175 52.862 54.000 0.063 0.000 0.890 405 D CB 1.335 42.123 40.800 -0.019 0.000 1.140 405 D HN 0.128 nan 8.370 nan 0.000 0.505 406 P HA -0.160 nan 4.420 nan 0.000 0.220 406 P C 1.605 178.935 177.300 0.050 0.000 1.148 406 P CA 0.458 63.601 63.100 0.071 0.000 0.803 406 P CB 0.329 32.088 31.700 0.097 0.000 0.782 407 L N -0.645 120.623 121.223 0.076 0.000 2.095 407 L HA -0.002 4.361 4.340 0.038 0.000 0.204 407 L C 2.388 179.196 176.870 -0.102 0.000 1.080 407 L CA 1.210 56.083 54.840 0.056 0.000 0.759 407 L CB -1.397 40.764 42.059 0.171 0.000 0.914 407 L HN -0.175 nan 8.230 nan 0.000 0.439 408 L N -0.566 120.461 121.223 -0.327 0.000 2.046 408 L HA -0.184 4.179 4.340 0.038 0.000 0.208 408 L C 2.435 179.066 176.870 -0.399 0.000 1.077 408 L CA 1.712 56.150 54.840 -0.669 0.000 0.747 408 L CB -0.931 40.445 42.059 -1.139 0.000 0.896 408 L HN 0.346 nan 8.230 nan 0.000 0.432 409 Q N 0.056 119.693 119.800 -0.271 0.000 2.077 409 Q HA -0.182 4.181 4.340 0.038 0.000 0.206 409 Q C 2.094 178.017 176.000 -0.128 0.000 0.989 409 Q CA 1.927 57.612 55.803 -0.197 0.000 0.853 409 Q CB -0.874 27.801 28.738 -0.106 0.000 0.907 409 Q HN 0.711 nan 8.270 nan 0.000 0.418 410 G N 0.229 108.986 108.800 -0.072 0.000 2.464 410 G HA2 -0.180 3.803 3.960 0.038 0.000 0.217 410 G HA3 -0.180 3.803 3.960 0.038 0.000 0.217 410 G C 1.510 176.426 174.900 0.026 0.000 1.138 410 G CA 0.096 45.196 45.100 -0.000 0.000 0.793 410 G HN 0.241 nan 8.290 nan 0.000 0.539 411 R N -0.046 120.421 120.500 -0.055 0.000 2.105 411 R HA -0.003 4.360 4.340 0.038 0.000 0.239 411 R C 2.459 178.818 176.300 0.098 0.000 1.135 411 R CA 0.964 57.075 56.100 0.019 0.000 0.967 411 R CB -0.465 29.789 30.300 -0.076 0.000 0.861 411 R HN 0.349 nan 8.270 nan 0.000 0.442 412 L N -0.500 120.689 121.223 -0.056 0.000 2.127 412 L HA -0.193 4.170 4.340 0.038 0.000 0.211 412 L C 2.237 179.230 176.870 0.205 0.000 1.089 412 L CA 0.995 55.816 54.840 -0.031 0.000 0.757 412 L CB -0.482 41.412 42.059 -0.276 0.000 0.899 412 L HN 0.143 nan 8.230 nan 0.000 0.434 413 F N 0.349 120.324 119.950 0.042 0.000 2.098 413 F HA -0.192 4.309 4.527 -0.042 0.000 0.294 413 F C 2.829 178.652 175.800 0.038 0.000 1.107 413 F CA 1.630 59.650 58.000 0.033 0.000 1.234 413 F CB -0.409 38.594 39.000 0.006 0.000 1.002 413 F HN -0.043 nan 8.300 nan 0.000 0.472 414 S N -0.860 114.832 115.700 -0.014 0.000 2.382 414 S HA -0.228 4.265 4.470 0.038 0.000 0.228 414 S C 2.099 176.547 174.600 -0.253 0.000 1.027 414 S CA 1.495 59.590 58.200 -0.174 0.000 0.991 414 S CB -0.784 62.379 63.200 -0.061 0.000 0.823 414 S HN 0.542 nan 8.310 nan 0.000 0.469 415 Y N 1.601 121.767 120.300 -0.223 0.000 2.200 415 Y HA -0.079 4.515 4.550 0.074 0.000 0.290 415 Y C 2.997 178.502 175.900 -0.657 0.000 1.137 415 Y CA 1.569 59.468 58.100 -0.336 0.000 1.163 415 Y CB -0.735 37.897 38.460 0.286 0.000 0.988 415 Y HN 0.299 nan 8.280 nan 0.000 0.518 416 T N -0.865 113.275 114.554 -0.691 0.000 2.777 416 T HA -0.190 4.183 4.350 0.038 0.000 0.266 416 T C 1.358 175.847 174.700 -0.351 0.000 1.040 416 T CA 1.505 63.323 62.100 -0.469 0.000 1.141 416 T CB -0.437 68.232 68.868 -0.331 0.000 0.868 416 T HN 0.323 nan 8.240 nan 0.000 0.444 417 D N 0.910 121.054 120.400 -0.427 0.000 2.092 417 D HA -0.139 4.524 4.640 0.038 0.000 0.193 417 D C 2.337 178.482 176.300 -0.258 0.000 0.994 417 D CA 1.725 55.498 54.000 -0.379 0.000 0.828 417 D CB -0.574 39.842 40.800 -0.641 0.000 0.963 417 D HN 0.232 nan 8.370 nan 0.000 0.450 418 T N -0.939 113.454 114.554 -0.269 0.000 2.720 418 T HA -0.206 4.167 4.350 0.038 0.000 0.268 418 T C 1.890 176.468 174.700 -0.204 0.000 1.037 418 T CA 1.798 63.774 62.100 -0.206 0.000 1.144 418 T CB -0.258 68.480 68.868 -0.218 0.000 0.864 418 T HN 0.233 nan 8.240 nan 0.000 0.444 419 Q N -0.258 119.364 119.800 -0.297 0.000 2.291 419 Q HA 0.028 4.391 4.340 0.038 0.000 0.205 419 Q C 2.211 178.074 176.000 -0.228 0.000 0.970 419 Q CA 0.724 56.302 55.803 -0.375 0.000 0.876 419 Q CB -0.055 28.215 28.738 -0.779 0.000 0.935 419 Q HN 0.437 nan 8.270 nan 0.000 0.455 420 I N 0.390 120.885 120.570 -0.125 0.000 2.226 420 I HA -0.247 3.946 4.170 0.038 0.000 0.245 420 I C 2.414 178.527 176.117 -0.008 0.000 1.100 420 I CA 1.794 63.093 61.300 -0.002 0.000 1.374 420 I CB -1.191 36.810 38.000 0.001 0.000 1.057 420 I HN 0.246 nan 8.210 nan 0.000 0.413 421 S N 0.121 115.798 115.700 -0.039 0.000 2.421 421 S HA -0.100 4.393 4.470 0.038 0.000 0.224 421 S C 2.195 176.780 174.600 -0.025 0.000 1.035 421 S CA 0.288 58.476 58.200 -0.020 0.000 0.953 421 S CB -0.277 62.913 63.200 -0.017 0.000 0.810 421 S HN 0.345 nan 8.310 nan 0.000 0.497 422 R N 0.722 121.188 120.500 -0.056 0.000 2.092 422 R HA 0.199 4.562 4.340 0.038 0.000 0.231 422 R C 1.377 177.653 176.300 -0.040 0.000 1.119 422 R CA 1.321 57.391 56.100 -0.050 0.000 0.970 422 R CB -0.207 30.045 30.300 -0.079 0.000 0.864 422 R HN 0.474 nan 8.270 nan 0.000 0.440 423 L N -0.903 120.291 121.223 -0.048 0.000 2.769 423 L HA 0.361 4.724 4.340 0.038 0.000 0.240 423 L C 0.850 177.736 176.870 0.027 0.000 1.163 423 L CA 0.290 55.121 54.840 -0.016 0.000 0.962 423 L CB 1.182 43.230 42.059 -0.019 0.000 1.258 423 L HN 0.516 nan 8.230 nan 0.000 0.513 424 G N -0.135 108.682 108.800 0.029 0.000 2.176 424 G HA2 -0.100 3.883 3.960 0.038 0.000 0.253 424 G HA3 -0.100 3.883 3.960 0.038 0.000 0.253 424 G C 0.393 175.329 174.900 0.060 0.000 0.979 424 G CA -0.120 45.004 45.100 0.039 0.000 0.641 424 G HN 0.762 nan 8.290 nan 0.000 0.530 425 G N -1.537 107.319 108.800 0.094 0.000 2.324 425 G HA2 0.650 4.633 3.960 0.038 0.000 0.293 425 G HA3 0.650 4.633 3.960 0.038 0.000 0.293 425 G C -2.326 172.676 174.900 0.170 0.000 1.297 425 G CA 0.400 45.562 45.100 0.102 0.000 0.853 425 G HN 0.416 nan 8.290 nan 0.000 0.535 426 P HA 0.131 nan 4.420 nan 0.000 0.249 426 P C 0.170 177.434 177.300 -0.059 0.000 1.229 426 P CA 0.255 63.416 63.100 0.102 0.000 0.788 426 P CB 0.225 31.965 31.700 0.066 0.000 1.072 427 N N 0.439 119.101 118.700 -0.063 0.000 2.327 427 N HA 0.066 4.829 4.740 0.038 0.000 0.231 427 N C 1.052 176.338 175.510 -0.373 0.000 1.130 427 N CA -0.186 52.716 53.050 -0.247 0.000 0.845 427 N CB -0.597 37.798 38.487 -0.152 0.000 1.073 427 N HN 0.265 nan 8.380 nan 0.000 0.496 428 F N 0.923 120.841 119.950 -0.053 0.000 2.269 428 F HA -0.121 4.437 4.527 0.052 0.000 0.301 428 F C 2.273 177.996 175.800 -0.129 0.000 1.082 428 F CA 0.823 58.768 58.000 -0.091 0.000 1.360 428 F CB -0.896 38.070 39.000 -0.058 0.000 1.041 428 F HN 0.186 nan 8.300 nan 0.000 0.512 429 H N 0.676 119.361 119.070 -0.642 0.000 2.545 429 H HA 0.009 4.586 4.556 0.036 0.000 0.282 429 H C 0.728 175.909 175.328 -0.245 0.000 1.020 429 H CA 1.408 57.220 56.048 -0.394 0.000 1.243 429 H CB -0.845 28.566 29.762 -0.586 0.000 1.377 429 H HN 0.553 nan 8.280 nan 0.000 0.581 430 E N 0.873 120.655 120.200 -0.696 0.000 2.479 430 E HA 0.202 4.575 4.350 0.038 0.000 0.193 430 E C 0.234 176.726 176.600 -0.180 0.000 1.049 430 E CA -0.290 55.874 56.400 -0.393 0.000 0.870 430 E CB 0.548 30.034 29.700 -0.356 0.000 0.944 430 E HN 0.419 nan 8.360 nan 0.000 0.492 431 I N 2.816 123.296 120.570 -0.149 0.000 2.533 431 I HA -0.019 4.174 4.170 0.038 0.000 0.284 431 I C -1.502 174.562 176.117 -0.089 0.000 1.109 431 I CA -1.770 59.474 61.300 -0.094 0.000 1.412 431 I CB 0.800 38.754 38.000 -0.077 0.000 1.396 431 I HN -0.188 nan 8.210 nan 0.000 0.543 432 P HA -0.270 nan 4.420 nan 0.000 0.219 432 P C 1.664 178.901 177.300 -0.105 0.000 1.158 432 P CA 1.422 64.475 63.100 -0.078 0.000 0.895 432 P CB 0.169 31.830 31.700 -0.066 0.000 0.792 433 I N -1.021 119.459 120.570 -0.150 0.000 2.493 433 I HA -0.151 4.042 4.170 0.038 0.000 0.254 433 I C 1.391 177.431 176.117 -0.128 0.000 1.160 433 I CA 1.579 62.744 61.300 -0.225 0.000 1.445 433 I CB -0.636 37.124 38.000 -0.401 0.000 1.086 433 I HN -0.118 nan 8.210 nan 0.000 0.433 434 N N 0.633 119.275 118.700 -0.097 0.000 2.424 434 N HA 0.042 4.805 4.740 0.038 0.000 0.178 434 N C 0.289 175.803 175.510 0.006 0.000 1.060 434 N CA 0.189 53.207 53.050 -0.054 0.000 0.901 434 N CB -0.090 38.386 38.487 -0.019 0.000 0.979 434 N HN 0.359 nan 8.380 nan 0.000 0.451 435 R N 1.657 122.160 120.500 0.005 0.000 2.570 435 R HA 0.133 4.496 4.340 0.038 0.000 0.277 435 R C -2.209 174.150 176.300 0.099 0.000 1.039 435 R CA -1.113 54.999 56.100 0.020 0.000 1.065 435 R CB -0.217 30.087 30.300 0.008 0.000 0.964 435 R HN 0.042 nan 8.270 nan 0.000 0.428 436 P HA -0.027 nan 4.420 nan 0.000 0.270 436 P C 0.635 178.006 177.300 0.119 0.000 1.223 436 P CA 0.016 63.189 63.100 0.122 0.000 0.785 436 P CB 0.650 32.383 31.700 0.055 0.000 0.923 437 T N -2.941 111.694 114.554 0.135 0.000 3.051 437 T HA 0.035 4.408 4.350 0.038 0.000 0.255 437 T C 0.981 175.724 174.700 0.073 0.000 1.085 437 T CA 0.138 62.277 62.100 0.065 0.000 1.109 437 T CB -1.009 67.880 68.868 0.036 0.000 0.921 437 T HN 0.584 nan 8.240 nan 0.000 0.488 438 C N 1.704 121.060 119.300 0.094 0.000 2.411 438 C HA 0.756 5.239 4.460 0.038 0.000 0.358 438 C C -2.339 172.710 174.990 0.097 0.000 1.349 438 C CA -2.316 56.756 59.018 0.089 0.000 2.326 438 C CB -0.231 27.566 27.740 0.094 0.000 2.166 438 C HN 0.219 nan 8.230 nan 0.000 0.609 439 P HA 0.326 nan 4.420 nan 0.000 0.271 439 P C -1.283 176.093 177.300 0.126 0.000 1.218 439 P CA 0.288 63.460 63.100 0.121 0.000 0.780 439 P CB 0.002 31.828 31.700 0.211 0.000 0.901 440 Y N 0.367 120.552 120.300 -0.192 0.000 2.322 440 Y HA 0.620 5.196 4.550 0.043 0.000 0.324 440 Y C -1.454 174.162 175.900 -0.473 0.000 1.027 440 Y CA -0.926 57.048 58.100 -0.209 0.000 1.179 440 Y CB 1.067 39.423 38.460 -0.172 0.000 1.136 440 Y HN 0.386 nan 8.280 nan 0.000 0.449 441 H N 4.155 123.173 119.070 -0.086 0.000 2.689 441 H HA 0.555 5.134 4.556 0.039 0.000 0.346 441 H C -0.995 174.238 175.328 -0.159 0.000 1.037 441 H CA -0.721 55.199 56.048 -0.213 0.000 1.234 441 H CB 1.620 31.267 29.762 -0.193 0.000 1.572 441 H HN 0.894 nan 8.280 nan 0.000 0.524 442 N N 0.456 119.065 118.700 -0.151 0.000 3.449 442 N HA 0.221 4.984 4.740 0.038 0.000 0.312 442 N C -1.151 174.142 175.510 -0.361 0.000 1.582 442 N CA -0.875 52.042 53.050 -0.222 0.000 0.850 442 N CB 0.797 39.287 38.487 0.005 0.000 1.822 442 N HN 0.285 nan 8.380 nan 0.000 0.577 443 F N -0.437 119.554 119.950 0.067 0.000 2.654 443 F HA 0.377 4.926 4.527 0.037 0.000 0.303 443 F C 0.270 176.110 175.800 0.066 0.000 1.099 443 F CA -0.412 57.623 58.000 0.058 0.000 1.270 443 F CB 0.292 39.322 39.000 0.050 0.000 1.024 443 F HN 0.132 nan 8.300 nan 0.000 0.548 444 Q N 1.696 121.601 119.800 0.175 0.000 2.327 444 Q HA 0.429 4.792 4.340 0.038 0.000 0.254 444 Q C 0.051 176.123 176.000 0.120 0.000 0.952 444 Q CA -0.063 55.821 55.803 0.135 0.000 0.884 444 Q CB 1.145 29.941 28.738 0.096 0.000 1.224 444 Q HN 0.095 nan 8.270 nan 0.000 0.422 445 R N 1.480 122.044 120.500 0.106 0.000 2.817 445 R HA 0.356 4.719 4.340 0.038 0.000 0.268 445 R C -0.646 175.698 176.300 0.072 0.000 1.027 445 R CA -0.662 55.492 56.100 0.089 0.000 0.928 445 R CB 1.091 31.446 30.300 0.092 0.000 1.228 445 R HN 0.709 nan 8.270 nan 0.000 0.469 446 D N -0.240 120.194 120.400 0.058 0.000 3.439 446 D HA -0.157 4.506 4.640 0.038 0.000 0.238 446 D C 0.338 176.666 176.300 0.047 0.000 1.727 446 D CA 2.060 56.087 54.000 0.046 0.000 1.145 446 D CB -0.964 39.862 40.800 0.044 0.000 0.764 446 D HN 0.894 nan 8.370 nan 0.000 0.938 447 G N -1.640 107.186 108.800 0.043 0.000 2.692 447 G HA2 0.228 4.211 3.960 0.038 0.000 0.686 447 G HA3 0.228 4.211 3.960 0.038 0.000 0.686 447 G C -0.254 174.674 174.900 0.047 0.000 1.243 447 G CA -0.014 45.114 45.100 0.046 0.000 0.782 447 G HN 0.780 nan 8.290 nan 0.000 0.625 448 M N 1.098 120.731 119.600 0.056 0.000 2.245 448 M HA 0.389 4.892 4.480 0.038 0.000 0.335 448 M C 1.123 177.493 176.300 0.116 0.000 1.155 448 M CA 1.199 56.543 55.300 0.073 0.000 1.055 448 M CB -0.585 32.061 32.600 0.076 0.000 1.670 448 M HN 1.463 nan 8.290 nan 0.000 0.447 449 H N 0.955 120.025 119.070 -0.000 0.000 2.496 449 H HA -0.193 4.386 4.556 0.039 0.000 0.323 449 H C -0.693 174.622 175.328 -0.022 0.000 1.054 449 H CA 0.864 56.907 56.048 -0.008 0.000 1.095 449 H CB -0.614 29.145 29.762 -0.005 0.000 1.595 449 H HN 0.573 nan 8.280 nan 0.000 0.388 450 R N 2.058 122.567 120.500 0.014 0.000 2.316 450 R HA 0.101 4.464 4.340 0.038 0.000 0.314 450 R C 0.777 177.065 176.300 -0.020 0.000 1.069 450 R CA -0.163 55.940 56.100 0.005 0.000 0.959 450 R CB 0.338 30.643 30.300 0.007 0.000 0.987 450 R HN 0.376 nan 8.270 nan 0.000 0.446 451 M N 2.588 122.188 119.600 -0.000 0.000 2.398 451 M HA 0.234 4.737 4.480 0.038 0.000 0.261 451 M C 0.940 177.233 176.300 -0.011 0.000 1.125 451 M CA 1.077 56.375 55.300 -0.004 0.000 1.183 451 M CB -1.019 31.590 32.600 0.014 0.000 1.322 451 M HN 0.727 nan 8.290 nan 0.000 0.467 452 G N 1.876 110.676 108.800 -0.000 0.000 2.305 452 G HA2 0.321 4.304 3.960 0.038 0.000 0.243 452 G HA3 0.321 4.304 3.960 0.038 0.000 0.243 452 G C -0.328 174.560 174.900 -0.019 0.000 1.288 452 G CA -0.304 44.787 45.100 -0.014 0.000 0.901 452 G HN 0.350 nan 8.290 nan 0.000 0.516 453 I N 2.888 123.440 120.570 -0.030 0.000 2.347 453 I HA 0.106 4.299 4.170 0.038 0.000 0.283 453 I C -0.304 175.798 176.117 -0.025 0.000 1.058 453 I CA -0.566 60.721 61.300 -0.022 0.000 1.202 453 I CB 0.924 38.911 38.000 -0.021 0.000 1.386 453 I HN 0.392 nan 8.210 nan 0.000 0.475 454 D N 4.687 125.076 120.400 -0.017 0.000 2.390 454 D HA 0.063 4.726 4.640 0.038 0.000 0.249 454 D C 1.182 177.480 176.300 -0.003 0.000 1.144 454 D CA 0.260 54.250 54.000 -0.017 0.000 0.880 454 D CB 1.837 42.634 40.800 -0.006 0.000 1.182 454 D HN 0.549 nan 8.370 nan 0.000 0.451 455 T N -1.100 113.449 114.554 -0.007 0.000 3.040 455 T HA -0.061 4.312 4.350 0.038 0.000 0.250 455 T C 0.846 175.554 174.700 0.012 0.000 1.058 455 T CA -0.539 61.562 62.100 0.000 0.000 0.988 455 T CB 0.170 69.033 68.868 -0.009 0.000 0.993 455 T HN 0.133 nan 8.240 nan 0.000 0.519 456 N N 3.604 122.313 118.700 0.014 0.000 2.411 456 N HA 0.069 4.832 4.740 0.038 0.000 0.261 456 N C -1.449 174.096 175.510 0.058 0.000 1.248 456 N CA -1.437 51.634 53.050 0.035 0.000 0.885 456 N CB 1.427 39.937 38.487 0.037 0.000 1.062 456 N HN 0.100 nan 8.380 nan 0.000 0.471 457 P HA -0.005 nan 4.420 nan 0.000 0.222 457 P C -0.366 176.987 177.300 0.088 0.000 1.147 457 P CA 0.775 63.916 63.100 0.068 0.000 0.790 457 P CB 0.184 31.919 31.700 0.060 0.000 0.780 458 A N 0.914 123.780 122.820 0.076 0.000 2.303 458 A HA 0.437 4.780 4.320 0.038 0.000 0.317 458 A C 0.552 178.234 177.584 0.164 0.000 1.149 458 A CA -0.623 51.422 52.037 0.013 0.000 0.822 458 A CB 0.014 18.892 19.000 -0.203 0.000 1.131 458 A HN 0.296 nan 8.150 nan 0.000 0.493 459 N N -0.356 118.465 118.700 0.201 0.000 2.299 459 N HA 0.348 5.111 4.740 0.038 0.000 0.246 459 N C -0.791 174.868 175.510 0.249 0.000 1.254 459 N CA -0.380 52.876 53.050 0.343 0.000 0.879 459 N CB 0.371 39.015 38.487 0.262 0.000 1.214 459 N HN 0.697 nan 8.380 nan 0.000 0.510 460 Y N -0.825 119.335 120.300 -0.233 0.000 2.655 460 Y HA 0.742 5.314 4.550 0.037 0.000 0.336 460 Y C -1.498 173.812 175.900 -0.983 0.000 1.154 460 Y CA -1.333 56.459 58.100 -0.514 0.000 1.055 460 Y CB 1.062 39.388 38.460 -0.224 0.000 1.295 460 Y HN 0.069 nan 8.280 nan 0.000 0.465 461 E N 0.259 120.065 120.200 -0.657 0.000 2.352 461 E HA 0.554 4.927 4.350 0.038 0.000 0.280 461 E C -3.271 173.239 176.600 -0.149 0.000 0.930 461 E CA -1.852 54.231 56.400 -0.527 0.000 0.765 461 E CB 1.488 30.803 29.700 -0.641 0.000 1.219 461 E HN 0.590 nan 8.360 nan 0.000 0.434 462 P HA 0.279 nan 4.420 nan 0.000 0.271 462 P C -1.198 176.065 177.300 -0.060 0.000 1.216 462 P CA -0.331 62.714 63.100 -0.091 0.000 0.776 462 P CB 0.447 32.121 31.700 -0.043 0.000 0.881 463 N N -1.167 117.418 118.700 -0.191 0.000 2.265 463 N HA 0.397 5.160 4.740 0.038 0.000 0.300 463 N C 0.326 175.788 175.510 -0.079 0.000 1.148 463 N CA -0.765 52.172 53.050 -0.189 0.000 0.772 463 N CB 1.558 39.674 38.487 -0.618 0.000 1.434 463 N HN 0.214 nan 8.380 nan 0.000 0.481 464 S N 0.365 116.063 115.700 -0.004 0.000 2.506 464 S HA 0.013 4.506 4.470 0.038 0.000 0.219 464 S C 1.495 176.105 174.600 0.015 0.000 1.031 464 S CA -0.139 58.061 58.200 0.000 0.000 0.911 464 S CB -0.758 62.454 63.200 0.020 0.000 0.812 464 S HN 0.701 nan 8.310 nan 0.000 0.497 465 I N -0.631 119.955 120.570 0.026 0.000 2.830 465 I HA 0.232 4.425 4.170 0.038 0.000 0.263 465 I C 1.336 177.480 176.117 0.046 0.000 1.230 465 I CA 1.230 62.555 61.300 0.043 0.000 1.480 465 I CB -0.405 37.636 38.000 0.068 0.000 1.095 465 I HN 0.204 nan 8.210 nan 0.000 0.455 466 N N 1.095 119.821 118.700 0.044 0.000 2.291 466 N HA 0.028 4.791 4.740 0.038 0.000 0.244 466 N C -0.022 175.586 175.510 0.164 0.000 1.216 466 N CA -0.033 53.082 53.050 0.108 0.000 0.879 466 N CB 0.040 38.602 38.487 0.124 0.000 1.167 466 N HN 0.216 nan 8.380 nan 0.000 0.515 467 D N 0.731 121.175 120.400 0.073 0.000 2.751 467 D HA -0.255 4.408 4.640 0.038 0.000 0.233 467 D C -0.081 176.114 176.300 -0.175 0.000 1.149 467 D CA 1.160 55.164 54.000 0.007 0.000 0.682 467 D CB -1.388 39.483 40.800 0.118 0.000 1.068 467 D HN 0.473 nan 8.370 nan 0.000 0.429 468 N N -1.828 116.788 118.700 -0.139 0.000 2.878 468 N HA -0.239 4.524 4.740 0.038 0.000 0.247 468 N C -0.814 174.596 175.510 -0.167 0.000 1.021 468 N CA 1.385 54.323 53.050 -0.186 0.000 0.873 468 N CB -1.347 36.988 38.487 -0.252 0.000 1.128 468 N HN 0.538 nan 8.380 nan 0.000 0.571 469 W N 1.294 122.643 121.300 0.082 0.000 2.313 469 W HA 0.443 5.125 4.660 0.037 0.000 0.328 469 W C -1.622 174.929 176.519 0.054 0.000 1.197 469 W CA -1.592 55.782 57.345 0.049 0.000 1.235 469 W CB 0.519 29.963 29.460 -0.027 0.000 1.158 469 W HN -0.036 nan 8.180 nan 0.000 0.578 470 P HA 0.184 nan 4.420 nan 0.000 0.274 470 P C -0.621 176.807 177.300 0.213 0.000 1.231 470 P CA -0.139 63.100 63.100 0.232 0.000 0.790 470 P CB 0.937 32.642 31.700 0.009 0.000 0.951 471 R N 0.835 121.451 120.500 0.193 0.000 2.668 471 R HA 0.322 4.685 4.340 0.038 0.000 0.279 471 R C 0.333 176.672 176.300 0.065 0.000 0.976 471 R CA -0.848 55.260 56.100 0.012 0.000 0.978 471 R CB 1.193 31.335 30.300 -0.263 0.000 1.133 471 R HN 0.499 nan 8.270 nan 0.000 0.484 472 E N 0.572 120.796 120.200 0.040 0.000 2.438 472 E HA 0.024 4.397 4.350 0.038 0.000 0.261 472 E C -0.600 176.028 176.600 0.047 0.000 1.103 472 E CA 0.750 57.183 56.400 0.055 0.000 0.959 472 E CB 0.701 30.423 29.700 0.036 0.000 0.958 472 E HN 0.354 nan 8.360 nan 0.000 0.447 473 T N 3.585 118.175 114.554 0.060 0.000 2.879 473 T HA 0.328 4.701 4.350 0.038 0.000 0.290 473 T C -2.503 172.223 174.700 0.044 0.000 0.993 473 T CA -1.564 60.569 62.100 0.055 0.000 0.975 473 T CB 1.476 70.386 68.868 0.071 0.000 0.981 473 T HN 0.242 nan 8.240 nan 0.000 0.439 474 P HA 0.227 nan 4.420 nan 0.000 0.269 474 P C -2.503 174.804 177.300 0.012 0.000 1.209 474 P CA -1.263 61.847 63.100 0.016 0.000 0.776 474 P CB -0.522 31.183 31.700 0.008 0.000 0.876 475 P HA 0.229 nan 4.420 nan 0.000 0.267 475 P C 0.169 177.457 177.300 -0.020 0.000 1.200 475 P CA 0.535 63.620 63.100 -0.025 0.000 0.772 475 P CB 0.473 32.139 31.700 -0.058 0.000 0.855 476 G N 1.610 110.397 108.800 -0.022 0.000 2.548 476 G HA2 0.407 4.390 3.960 0.038 0.000 0.301 476 G HA3 0.407 4.390 3.960 0.038 0.000 0.301 476 G C -2.500 172.388 174.900 -0.019 0.000 1.349 476 G CA -0.730 44.361 45.100 -0.015 0.000 0.792 476 G HN 0.200 nan 8.290 nan 0.000 0.481 477 P HA 0.060 nan 4.420 nan 0.000 0.223 477 P C 0.218 177.515 177.300 -0.006 0.000 1.151 477 P CA 1.169 64.260 63.100 -0.014 0.000 0.787 477 P CB 0.514 32.209 31.700 -0.010 0.000 0.788 478 K N -1.160 119.242 120.400 0.005 0.000 2.572 478 K HA 0.270 4.613 4.320 0.038 0.000 0.263 478 K C -0.323 176.293 176.600 0.027 0.000 0.932 478 K CA -0.680 55.617 56.287 0.017 0.000 0.838 478 K CB 1.153 33.664 32.500 0.018 0.000 1.366 478 K HN -0.400 nan 8.250 nan 0.000 0.425 479 R N -0.215 120.309 120.500 0.039 0.000 3.863 479 R HA -0.143 4.220 4.340 0.038 0.000 0.313 479 R C -0.091 176.238 176.300 0.048 0.000 1.202 479 R CA 1.190 57.319 56.100 0.048 0.000 0.852 479 R CB -2.312 28.015 30.300 0.046 0.000 1.292 479 R HN 0.864 nan 8.270 nan 0.000 0.519 480 G N -1.071 107.753 108.800 0.040 0.000 2.521 480 G HA2 0.640 4.623 3.960 0.038 0.000 0.323 480 G HA3 0.640 4.623 3.960 0.038 0.000 0.323 480 G C 0.234 175.168 174.900 0.056 0.000 1.211 480 G CA 0.020 45.143 45.100 0.038 0.000 0.979 480 G HN 0.251 nan 8.290 nan 0.000 0.490 481 G N -1.334 107.501 108.800 0.057 0.000 2.527 481 G HA2 0.401 4.384 3.960 0.038 0.000 0.248 481 G HA3 0.401 4.384 3.960 0.038 0.000 0.248 481 G C -0.617 174.338 174.900 0.091 0.000 1.231 481 G CA -0.500 44.655 45.100 0.092 0.000 0.838 481 G HN 0.451 nan 8.290 nan 0.000 0.570 482 F N 0.577 120.542 119.950 0.025 0.000 2.495 482 F HA 0.365 4.918 4.527 0.044 0.000 0.365 482 F C 0.580 176.394 175.800 0.022 0.000 1.090 482 F CA -0.048 57.963 58.000 0.018 0.000 1.235 482 F CB 0.799 39.813 39.000 0.023 0.000 1.119 482 F HN 0.435 nan 8.300 nan 0.000 0.562 483 E N 3.827 123.643 120.200 -0.639 0.000 2.272 483 E HA 0.319 4.692 4.350 0.038 0.000 0.269 483 E C -1.205 175.058 176.600 -0.563 0.000 0.877 483 E CA -0.806 55.378 56.400 -0.360 0.000 0.755 483 E CB 1.672 31.260 29.700 -0.187 0.000 1.192 483 E HN 0.621 nan 8.360 nan 0.000 0.422 484 S N 2.289 117.895 115.700 -0.157 0.000 2.580 484 S HA 0.052 4.545 4.470 0.038 0.000 0.274 484 S C -0.601 173.983 174.600 -0.026 0.000 1.329 484 S CA -0.428 57.760 58.200 -0.019 0.000 1.036 484 S CB 0.239 63.551 63.200 0.187 0.000 0.919 484 S HN 0.469 nan 8.310 nan 0.000 0.515 485 Y N 2.767 123.006 120.300 -0.101 0.000 2.632 485 Y HA -0.032 4.540 4.550 0.037 0.000 0.329 485 Y C 0.845 176.722 175.900 -0.039 0.000 1.174 485 Y CA 0.038 58.085 58.100 -0.089 0.000 1.469 485 Y CB 0.076 38.481 38.460 -0.091 0.000 1.242 485 Y HN 0.579 nan 8.280 nan 0.000 0.540 486 Q N 5.449 124.862 119.800 -0.646 0.000 3.107 486 Q HA -0.028 4.335 4.340 0.038 0.000 0.268 486 Q C -0.100 175.587 176.000 -0.521 0.000 1.382 486 Q CA 0.129 55.654 55.803 -0.464 0.000 0.927 486 Q CB -0.263 28.285 28.738 -0.316 0.000 1.755 486 Q HN 0.679 nan 8.270 nan 0.000 0.545 487 E N 1.344 121.339 120.200 -0.343 0.000 2.415 487 E HA 0.022 4.395 4.350 0.038 0.000 0.262 487 E C -0.208 176.356 176.600 -0.061 0.000 1.038 487 E CA -0.358 55.968 56.400 -0.123 0.000 0.921 487 E CB 0.671 30.422 29.700 0.086 0.000 0.950 487 E HN 0.164 nan 8.360 nan 0.000 0.438 488 R N 2.623 123.114 120.500 -0.014 0.000 2.265 488 R HA 0.260 4.623 4.340 0.038 0.000 0.314 488 R C -1.532 174.786 176.300 0.031 0.000 1.053 488 R CA -0.299 55.803 56.100 0.002 0.000 0.931 488 R CB 0.887 31.195 30.300 0.013 0.000 1.024 488 R HN 0.254 nan 8.270 nan 0.000 0.457 489 V N 4.718 124.644 119.914 0.021 0.000 2.448 489 V HA 0.418 4.561 4.120 0.038 0.000 0.295 489 V C -0.468 175.638 176.094 0.021 0.000 1.025 489 V CA -0.544 61.773 62.300 0.029 0.000 0.859 489 V CB 1.624 33.463 31.823 0.026 0.000 0.988 489 V HN 0.825 nan 8.190 nan 0.000 0.431 490 E N 2.536 122.750 120.200 0.023 0.000 2.274 490 E HA 0.699 5.072 4.350 0.038 0.000 0.269 490 E C -0.117 176.488 176.600 0.010 0.000 0.891 490 E CA -0.262 56.146 56.400 0.014 0.000 0.784 490 E CB 2.258 31.967 29.700 0.015 0.000 1.225 490 E HN 0.997 nan 8.360 nan 0.000 0.412 491 G N 2.437 111.238 108.800 0.002 0.000 2.341 491 G HA2 0.038 4.021 3.960 0.038 0.000 0.293 491 G HA3 0.038 4.021 3.960 0.038 0.000 0.293 491 G C -1.474 173.422 174.900 -0.008 0.000 1.298 491 G CA -1.050 44.048 45.100 -0.004 0.000 0.868 491 G HN 0.469 nan 8.290 nan 0.000 0.540 492 N N -0.186 118.506 118.700 -0.013 0.000 2.482 492 N HA 0.426 5.189 4.740 0.038 0.000 0.279 492 N C -0.336 175.163 175.510 -0.018 0.000 1.182 492 N CA -0.751 52.290 53.050 -0.015 0.000 0.969 492 N CB 1.149 39.626 38.487 -0.017 0.000 1.201 492 N HN 0.350 nan 8.380 nan 0.000 0.523 493 K N 1.506 121.895 120.400 -0.018 0.000 2.363 493 K HA 0.162 4.505 4.320 0.038 0.000 0.289 493 K C -0.581 176.002 176.600 -0.029 0.000 1.063 493 K CA -0.122 56.151 56.287 -0.023 0.000 0.967 493 K CB 0.023 32.511 32.500 -0.021 0.000 0.987 493 K HN 0.302 nan 8.250 nan 0.000 0.473 494 V N 0.208 120.100 119.914 -0.037 0.000 3.130 494 V HA 0.536 4.679 4.120 0.038 0.000 0.310 494 V C -0.692 175.368 176.094 -0.057 0.000 1.158 494 V CA -1.356 60.918 62.300 -0.044 0.000 1.029 494 V CB 2.168 33.965 31.823 -0.043 0.000 1.057 494 V HN 0.663 nan 8.190 nan 0.000 0.436 495 R N 1.719 122.180 120.500 -0.064 0.000 2.477 495 R HA 0.603 4.966 4.340 0.038 0.000 0.285 495 R C -0.689 175.566 176.300 -0.077 0.000 1.415 495 R CA -0.217 55.833 56.100 -0.083 0.000 1.446 495 R CB 1.068 31.307 30.300 -0.102 0.000 1.110 495 R HN 0.968 nan 8.270 nan 0.000 0.590 496 E N 1.732 121.884 120.200 -0.079 0.000 2.372 496 E HA 0.314 4.686 4.350 0.038 0.000 0.279 496 E C -1.342 175.195 176.600 -0.106 0.000 0.946 496 E CA -1.016 55.338 56.400 -0.075 0.000 0.769 496 E CB 1.895 31.557 29.700 -0.063 0.000 1.230 496 E HN 0.094 nan 8.360 nan 0.000 0.442 497 R N 1.239 121.681 120.500 -0.095 0.000 2.410 497 R HA 0.281 4.644 4.340 0.038 0.000 0.288 497 R C -0.616 175.564 176.300 -0.201 0.000 1.051 497 R CA -0.055 55.956 56.100 -0.149 0.000 1.021 497 R CB 1.431 31.706 30.300 -0.042 0.000 1.032 497 R HN 0.436 nan 8.270 nan 0.000 0.481 498 S N 4.227 119.680 115.700 -0.411 0.000 2.548 498 S HA 0.219 4.712 4.470 0.038 0.000 0.277 498 S C -1.624 172.929 174.600 -0.079 0.000 1.315 498 S CA -1.317 56.721 58.200 -0.271 0.000 1.050 498 S CB 0.888 63.854 63.200 -0.391 0.000 0.918 498 S HN 0.554 nan 8.310 nan 0.000 0.497 499 P HA -0.113 nan 4.420 nan 0.000 0.217 499 P C 1.490 178.838 177.300 0.080 0.000 1.148 499 P CA 1.356 64.474 63.100 0.030 0.000 0.828 499 P CB -0.117 31.591 31.700 0.014 0.000 0.783 500 S N -2.263 113.520 115.700 0.138 0.000 2.507 500 S HA -0.089 4.404 4.470 0.038 0.000 0.235 500 S C 1.380 176.153 174.600 0.288 0.000 0.988 500 S CA 0.769 59.089 58.200 0.200 0.000 0.944 500 S CB -1.293 62.059 63.200 0.253 0.000 0.762 500 S HN -0.024 nan 8.310 nan 0.000 0.526 501 F N 2.151 122.099 119.950 -0.003 0.000 2.765 501 F HA 0.400 4.948 4.527 0.035 0.000 0.302 501 F C 2.063 177.813 175.800 -0.083 0.000 1.111 501 F CA -0.991 57.002 58.000 -0.011 0.000 1.359 501 F CB -0.703 38.316 39.000 0.032 0.000 1.097 501 F HN 0.350 nan 8.300 nan 0.000 0.577 502 G N 0.193 109.015 108.800 0.037 0.000 3.340 502 G HA2 -0.027 3.956 3.960 0.038 0.000 0.240 502 G HA3 -0.027 3.956 3.960 0.038 0.000 0.240 502 G C 0.212 174.733 174.900 -0.631 0.000 1.327 502 G CA 0.207 45.179 45.100 -0.213 0.000 1.170 502 G HN 0.079 nan 8.290 nan 0.000 0.520 503 E N -0.041 119.720 120.200 -0.731 0.000 2.241 503 E HA 0.318 4.691 4.350 0.038 0.000 0.263 503 E C -0.804 175.337 176.600 -0.765 0.000 0.882 503 E CA -0.810 55.171 56.400 -0.698 0.000 0.769 503 E CB 1.382 30.932 29.700 -0.250 0.000 1.185 503 E HN 0.232 nan 8.360 nan 0.000 0.415 504 Y N 2.778 122.864 120.300 -0.356 0.000 2.500 504 Y HA 0.194 4.766 4.550 0.038 0.000 0.246 504 Y C 0.653 176.274 175.900 -0.466 0.000 1.146 504 Y CA -0.153 57.655 58.100 -0.486 0.000 1.230 504 Y CB 0.350 38.368 38.460 -0.737 0.000 1.214 504 Y HN 0.429 nan 8.280 nan 0.000 0.526 505 Y N -1.326 119.046 120.300 0.120 0.000 2.483 505 Y HA 0.075 4.649 4.550 0.040 0.000 0.258 505 Y C 2.352 178.308 175.900 0.093 0.000 1.083 505 Y CA 0.140 58.309 58.100 0.115 0.000 1.283 505 Y CB -0.332 38.204 38.460 0.126 0.000 1.178 505 Y HN 0.061 nan 8.280 nan 0.000 0.515 506 S N -0.899 114.934 115.700 0.221 0.000 2.423 506 S HA -0.175 4.318 4.470 0.038 0.000 0.231 506 S C 1.361 176.046 174.600 0.141 0.000 1.014 506 S CA 1.492 59.804 58.200 0.187 0.000 0.965 506 S CB -0.532 62.776 63.200 0.179 0.000 0.785 506 S HN 0.421 nan 8.310 nan 0.000 0.495 507 H N 2.890 121.863 119.070 -0.161 0.000 2.363 507 H HA 0.161 4.740 4.556 0.039 0.000 0.301 507 H C -0.672 174.498 175.328 -0.263 0.000 1.074 507 H CA 1.222 57.040 56.048 -0.383 0.000 1.354 507 H CB -1.741 27.523 29.762 -0.830 0.000 1.397 507 H HN 0.378 nan 8.280 nan 0.000 0.516 508 P HA -0.174 nan 4.420 nan 0.000 0.216 508 P C 1.496 179.000 177.300 0.340 0.000 1.153 508 P CA 1.625 64.900 63.100 0.292 0.000 0.858 508 P CB 0.107 31.979 31.700 0.287 0.000 0.789 509 R N -0.328 120.318 120.500 0.243 0.000 2.075 509 R HA -0.110 4.253 4.340 0.038 0.000 0.232 509 R C 2.175 178.618 176.300 0.238 0.000 1.126 509 R CA 1.107 57.355 56.100 0.246 0.000 0.963 509 R CB -0.976 29.430 30.300 0.175 0.000 0.858 509 R HN 0.100 nan 8.270 nan 0.000 0.435 510 L N 0.425 121.738 121.223 0.151 0.000 2.141 510 L HA -0.096 4.267 4.340 0.038 0.000 0.209 510 L C 1.934 178.890 176.870 0.143 0.000 1.094 510 L CA 1.534 56.429 54.840 0.092 0.000 0.763 510 L CB -0.531 41.517 42.059 -0.018 0.000 0.908 510 L HN 0.204 nan 8.230 nan 0.000 0.437 511 F N -0.783 119.236 119.950 0.116 0.000 2.146 511 F HA -0.221 4.330 4.527 0.041 0.000 0.298 511 F C 2.246 178.090 175.800 0.074 0.000 1.096 511 F CA 1.888 59.942 58.000 0.090 0.000 1.275 511 F CB -0.649 38.447 39.000 0.160 0.000 1.008 511 F HN 0.355 nan 8.300 nan 0.000 0.480 512 W N 1.463 122.823 121.300 0.099 0.000 2.333 512 W HA -0.245 4.438 4.660 0.038 0.000 0.316 512 W C 1.697 178.126 176.519 -0.151 0.000 1.215 512 W CA 1.839 59.169 57.345 -0.024 0.000 1.278 512 W CB -0.754 28.761 29.460 0.091 0.000 1.154 512 W HN 0.063 nan 8.180 nan 0.000 0.486 513 L N 1.314 122.458 121.223 -0.131 0.000 2.456 513 L HA -0.164 4.199 4.340 0.038 0.000 0.224 513 L C 2.174 178.870 176.870 -0.290 0.000 1.148 513 L CA 1.080 55.778 54.840 -0.236 0.000 0.825 513 L CB -0.606 41.430 42.059 -0.038 0.000 0.937 513 L HN -0.108 nan 8.230 nan 0.000 0.450 514 S N -1.716 113.791 115.700 -0.323 0.000 2.575 514 S HA 0.084 4.577 4.470 0.038 0.000 0.215 514 S C 0.654 174.979 174.600 -0.460 0.000 0.966 514 S CA -0.121 57.883 58.200 -0.327 0.000 0.911 514 S CB 0.092 63.139 63.200 -0.256 0.000 0.780 514 S HN 0.276 nan 8.310 nan 0.000 0.514 515 Q N 2.476 121.908 119.800 -0.613 0.000 2.259 515 Q HA 0.286 4.649 4.340 0.038 0.000 0.246 515 Q C 0.660 176.298 176.000 -0.603 0.000 0.920 515 Q CA -0.066 55.344 55.803 -0.656 0.000 0.895 515 Q CB 0.526 28.823 28.738 -0.736 0.000 1.220 515 Q HN 0.443 nan 8.270 nan 0.000 0.439 516 T N -1.544 112.623 114.554 -0.646 0.000 2.766 516 T HA 0.155 4.528 4.350 0.038 0.000 0.295 516 T C -1.716 172.557 174.700 -0.711 0.000 1.024 516 T CA -1.279 60.418 62.100 -0.672 0.000 1.018 516 T CB 0.258 68.556 68.868 -0.950 0.000 1.002 516 T HN 0.235 nan 8.240 nan 0.000 0.532 517 P HA -0.018 nan 4.420 nan 0.000 0.216 517 P C 1.446 178.550 177.300 -0.327 0.000 1.153 517 P CA 1.041 63.934 63.100 -0.346 0.000 0.848 517 P CB -0.273 31.338 31.700 -0.149 0.000 0.787 518 F N 0.097 119.846 119.950 -0.335 0.000 2.259 518 F HA 0.026 4.576 4.527 0.038 0.000 0.298 518 F C 1.788 177.239 175.800 -0.582 0.000 1.088 518 F CA 0.837 58.578 58.000 -0.433 0.000 1.358 518 F CB -1.666 37.045 39.000 -0.482 0.000 1.040 518 F HN -0.091 nan 8.300 nan 0.000 0.505 519 E N 0.634 120.271 120.200 -0.938 0.000 2.072 519 E HA -0.210 4.163 4.350 0.038 0.000 0.191 519 E C 2.198 178.625 176.600 -0.289 0.000 0.985 519 E CA 1.464 57.531 56.400 -0.555 0.000 0.801 519 E CB -0.318 29.032 29.700 -0.584 0.000 0.750 519 E HN 0.622 nan 8.360 nan 0.000 0.452 520 Q N 0.302 119.865 119.800 -0.394 0.000 2.124 520 Q HA -0.177 4.186 4.340 0.038 0.000 0.202 520 Q C 2.234 178.287 176.000 0.088 0.000 0.977 520 Q CA 1.133 56.766 55.803 -0.284 0.000 0.850 520 Q CB -0.139 28.162 28.738 -0.729 0.000 0.901 520 Q HN 0.120 nan 8.270 nan 0.000 0.429 521 R N 0.052 120.575 120.500 0.038 0.000 2.075 521 R HA -0.143 4.220 4.340 0.038 0.000 0.232 521 R C 1.831 178.318 176.300 0.312 0.000 1.126 521 R CA 1.429 57.637 56.100 0.180 0.000 0.963 521 R CB -0.092 30.298 30.300 0.150 0.000 0.858 521 R HN 0.458 nan 8.270 nan 0.000 0.435 522 H N -0.268 118.887 119.070 0.142 0.000 2.353 522 H HA -0.109 4.470 4.556 0.038 0.000 0.300 522 H C 2.168 177.599 175.328 0.171 0.000 1.090 522 H CA 1.455 57.599 56.048 0.159 0.000 1.327 522 H CB -0.010 29.848 29.762 0.160 0.000 1.383 522 H HN 0.233 nan 8.280 nan 0.000 0.508 523 I N 0.285 121.061 120.570 0.342 0.000 2.179 523 I HA -0.253 3.940 4.170 0.038 0.000 0.242 523 I C 2.385 178.752 176.117 0.417 0.000 1.088 523 I CA 0.825 62.347 61.300 0.370 0.000 1.357 523 I CB -0.247 38.081 38.000 0.546 0.000 1.051 523 I HN 0.076 nan 8.210 nan 0.000 0.409 524 V N 0.958 121.126 119.914 0.423 0.000 2.332 524 V HA -0.306 3.837 4.120 0.038 0.000 0.248 524 V C 1.996 178.251 176.094 0.270 0.000 1.055 524 V CA 2.074 64.580 62.300 0.344 0.000 1.038 524 V CB -0.696 31.294 31.823 0.277 0.000 0.651 524 V HN 0.421 nan 8.190 nan 0.000 0.450 525 D N 0.341 120.881 120.400 0.233 0.000 2.219 525 D HA -0.063 4.600 4.640 0.038 0.000 0.205 525 D C 2.149 178.517 176.300 0.113 0.000 0.970 525 D CA 1.377 55.484 54.000 0.178 0.000 0.851 525 D CB -0.400 40.507 40.800 0.179 0.000 0.943 525 D HN 0.489 nan 8.370 nan 0.000 0.488 526 G N 0.192 109.033 108.800 0.068 0.000 2.414 526 G HA2 -0.233 3.750 3.960 0.038 0.000 0.215 526 G HA3 -0.233 3.750 3.960 0.038 0.000 0.215 526 G C 1.397 176.260 174.900 -0.062 0.000 1.188 526 G CA 0.090 45.136 45.100 -0.089 0.000 0.783 526 G HN 0.153 nan 8.290 nan 0.000 0.537 527 F N 1.939 121.921 119.950 0.054 0.000 2.171 527 F HA -0.062 4.488 4.527 0.038 0.000 0.300 527 F C 3.100 178.834 175.800 -0.111 0.000 1.090 527 F CA 1.560 59.535 58.000 -0.041 0.000 1.293 527 F CB -0.162 38.810 39.000 -0.047 0.000 1.013 527 F HN 0.097 nan 8.300 nan 0.000 0.486 528 S N -0.314 115.479 115.700 0.155 0.000 2.362 528 S HA -0.147 4.346 4.470 0.038 0.000 0.221 528 S C 1.860 176.491 174.600 0.052 0.000 1.032 528 S CA 0.804 59.048 58.200 0.073 0.000 0.973 528 S CB -0.850 62.408 63.200 0.097 0.000 0.849 528 S HN 0.369 nan 8.310 nan 0.000 0.465 529 F N 2.872 122.797 119.950 -0.042 0.000 2.095 529 F HA -0.154 4.395 4.527 0.037 0.000 0.298 529 F C 2.339 178.097 175.800 -0.071 0.000 1.104 529 F CA 1.633 59.603 58.000 -0.048 0.000 1.232 529 F CB -0.264 38.676 39.000 -0.099 0.000 0.987 529 F HN 0.148 nan 8.300 nan 0.000 0.475 530 E N 0.374 120.612 120.200 0.064 0.000 2.106 530 E HA -0.193 4.180 4.350 0.038 0.000 0.192 530 E C 2.389 178.861 176.600 -0.213 0.000 0.984 530 E CA 1.396 57.804 56.400 0.014 0.000 0.806 530 E CB -0.433 29.424 29.700 0.262 0.000 0.750 530 E HN 0.483 nan 8.360 nan 0.000 0.458 531 L N 0.922 121.940 121.223 -0.341 0.000 2.201 531 L HA -0.107 4.256 4.340 0.038 0.000 0.212 531 L C 2.340 179.062 176.870 -0.246 0.000 1.105 531 L CA 0.595 55.183 54.840 -0.420 0.000 0.775 531 L CB -0.156 41.658 42.059 -0.409 0.000 0.913 531 L HN 0.013 nan 8.230 nan 0.000 0.440 532 S N -0.498 115.076 115.700 -0.211 0.000 2.474 532 S HA -0.085 4.408 4.470 0.038 0.000 0.235 532 S C 1.681 176.179 174.600 -0.171 0.000 0.997 532 S CA 0.866 58.959 58.200 -0.178 0.000 0.949 532 S CB -0.046 63.035 63.200 -0.198 0.000 0.766 532 S HN 0.368 nan 8.310 nan 0.000 0.517 533 K N 0.998 121.287 120.400 -0.185 0.000 2.393 533 K HA 0.181 4.524 4.320 0.038 0.000 0.193 533 K C -0.050 176.553 176.600 0.005 0.000 1.026 533 K CA 0.107 56.336 56.287 -0.096 0.000 1.064 533 K CB 0.273 32.716 32.500 -0.095 0.000 0.833 533 K HN 0.172 nan 8.250 nan 0.000 0.521 534 V N 2.172 122.072 119.914 -0.024 0.000 2.470 534 V HA -0.041 4.102 4.120 0.038 0.000 0.276 534 V C 1.632 177.718 176.094 -0.013 0.000 1.040 534 V CA 0.077 62.384 62.300 0.011 0.000 1.008 534 V CB 1.409 33.204 31.823 -0.047 0.000 0.990 534 V HN -0.060 nan 8.190 nan 0.000 0.477 535 V N 5.450 125.375 119.914 0.019 0.000 2.407 535 V HA -0.032 4.111 4.120 0.038 0.000 0.245 535 V C 1.273 177.357 176.094 -0.017 0.000 1.041 535 V CA 1.211 63.517 62.300 0.011 0.000 1.040 535 V CB -0.445 31.402 31.823 0.040 0.000 0.671 535 V HN 0.775 nan 8.190 nan 0.000 0.455 536 R N 1.155 121.621 120.500 -0.057 0.000 2.242 536 R HA 0.178 4.541 4.340 0.038 0.000 0.334 536 R C -1.794 174.402 176.300 -0.174 0.000 1.071 536 R CA -1.389 54.654 56.100 -0.095 0.000 0.922 536 R CB 0.381 30.577 30.300 -0.173 0.000 1.023 536 R HN 0.250 nan 8.270 nan 0.000 0.458 537 P HA -0.183 nan 4.420 nan 0.000 0.220 537 P C 0.747 178.025 177.300 -0.037 0.000 1.148 537 P CA 1.048 64.124 63.100 -0.040 0.000 0.803 537 P CB -0.020 31.689 31.700 0.016 0.000 0.782 538 Y N -1.255 119.041 120.300 -0.006 0.000 2.333 538 Y HA -0.058 4.514 4.550 0.038 0.000 0.290 538 Y C 1.854 177.754 175.900 -0.001 0.000 1.144 538 Y CA 0.736 58.833 58.100 -0.005 0.000 1.228 538 Y CB -1.687 36.771 38.460 -0.003 0.000 0.985 538 Y HN -0.117 nan 8.280 nan 0.000 0.542 539 I N 0.672 120.868 120.570 -0.623 0.000 2.286 539 I HA -0.186 4.007 4.170 0.038 0.000 0.245 539 I C 2.514 178.534 176.117 -0.161 0.000 1.104 539 I CA 1.007 62.084 61.300 -0.372 0.000 1.397 539 I CB -0.380 37.391 38.000 -0.381 0.000 1.072 539 I HN 0.119 nan 8.210 nan 0.000 0.417 540 R N 1.046 121.444 120.500 -0.171 0.000 2.094 540 R HA -0.226 4.137 4.340 0.038 0.000 0.239 540 R C 2.161 178.402 176.300 -0.100 0.000 1.137 540 R CA 1.945 57.956 56.100 -0.147 0.000 0.943 540 R CB -0.536 29.685 30.300 -0.132 0.000 0.850 540 R HN 0.490 nan 8.270 nan 0.000 0.433 541 E N 0.316 120.484 120.200 -0.053 0.000 2.051 541 E HA -0.185 4.188 4.350 0.038 0.000 0.192 541 E C 2.174 178.769 176.600 -0.008 0.000 0.991 541 E CA 1.017 57.403 56.400 -0.022 0.000 0.799 541 E CB -0.144 29.567 29.700 0.018 0.000 0.748 541 E HN 0.292 nan 8.360 nan 0.000 0.449 542 R N 0.587 121.098 120.500 0.018 0.000 2.091 542 R HA -0.129 4.234 4.340 0.038 0.000 0.238 542 R C 2.451 178.761 176.300 0.016 0.000 1.136 542 R CA 1.169 57.289 56.100 0.034 0.000 0.959 542 R CB -0.369 29.971 30.300 0.065 0.000 0.856 542 R HN 0.046 nan 8.270 nan 0.000 0.437 543 V N 0.173 120.086 119.914 -0.003 0.000 2.295 543 V HA -0.220 3.923 4.120 0.038 0.000 0.246 543 V C 2.277 178.335 176.094 -0.059 0.000 1.049 543 V CA 1.612 63.915 62.300 0.005 0.000 1.024 543 V CB -0.308 31.511 31.823 -0.006 0.000 0.648 543 V HN 0.141 nan 8.190 nan 0.000 0.447 544 V N 0.537 120.392 119.914 -0.098 0.000 2.332 544 V HA -0.344 3.799 4.120 0.038 0.000 0.248 544 V C 2.332 178.380 176.094 -0.076 0.000 1.055 544 V CA 2.544 64.770 62.300 -0.124 0.000 1.038 544 V CB -0.751 31.004 31.823 -0.113 0.000 0.651 544 V HN 0.687 nan 8.190 nan 0.000 0.450 545 D N -0.833 119.554 120.400 -0.023 0.000 2.158 545 D HA -0.218 4.445 4.640 0.038 0.000 0.197 545 D C 2.241 178.604 176.300 0.105 0.000 0.995 545 D CA 1.253 55.272 54.000 0.032 0.000 0.846 545 D CB -0.027 40.806 40.800 0.056 0.000 0.941 545 D HN 0.345 nan 8.370 nan 0.000 0.456 546 Q N -0.285 119.550 119.800 0.059 0.000 2.119 546 Q HA -0.064 4.299 4.340 0.038 0.000 0.201 546 Q C 2.522 178.553 176.000 0.051 0.000 0.972 546 Q CA 0.643 56.492 55.803 0.076 0.000 0.847 546 Q CB -0.255 28.532 28.738 0.083 0.000 0.903 546 Q HN 0.470 nan 8.270 nan 0.000 0.433 547 L N -0.005 121.179 121.223 -0.065 0.000 2.141 547 L HA -0.101 4.262 4.340 0.038 0.000 0.209 547 L C 2.364 179.130 176.870 -0.173 0.000 1.094 547 L CA 0.834 55.566 54.840 -0.180 0.000 0.763 547 L CB -0.679 41.162 42.059 -0.365 0.000 0.908 547 L HN 0.090 nan 8.230 nan 0.000 0.437 548 A N -0.356 122.386 122.820 -0.130 0.000 2.019 548 A HA -0.233 4.110 4.320 0.038 0.000 0.219 548 A C 1.825 179.263 177.584 -0.243 0.000 1.164 548 A CA 1.538 53.469 52.037 -0.177 0.000 0.644 548 A CB -0.734 18.162 19.000 -0.174 0.000 0.805 548 A HN 0.447 nan 8.150 nan 0.000 0.449 549 H N -1.120 117.765 119.070 -0.307 0.000 2.547 549 H HA 0.204 4.783 4.556 0.039 0.000 0.272 549 H C 1.621 176.700 175.328 -0.416 0.000 0.989 549 H CA 1.104 56.854 56.048 -0.496 0.000 1.214 549 H CB -0.024 29.090 29.762 -1.079 0.000 1.389 549 H HN 0.513 nan 8.280 nan 0.000 0.577 550 I N -1.081 119.411 120.570 -0.131 0.000 2.499 550 I HA 0.049 4.242 4.170 0.038 0.000 0.243 550 I C -0.061 176.006 176.117 -0.083 0.000 1.085 550 I CA 0.576 61.858 61.300 -0.030 0.000 1.422 550 I CB 0.601 38.607 38.000 0.010 0.000 1.165 550 I HN 0.123 nan 8.210 nan 0.000 0.440 551 D N -0.591 119.695 120.400 -0.191 0.000 2.878 551 D HA 0.123 4.786 4.640 0.038 0.000 0.211 551 D C 0.297 176.453 176.300 -0.239 0.000 1.271 551 D CA -0.418 53.456 54.000 -0.209 0.000 0.845 551 D CB 1.315 41.919 40.800 -0.326 0.000 1.679 551 D HN -0.066 nan 8.370 nan 0.000 0.536 552 L N 3.185 124.321 121.223 -0.145 0.000 2.046 552 L HA -0.046 4.317 4.340 0.038 0.000 0.208 552 L C 1.277 178.083 176.870 -0.107 0.000 1.077 552 L CA 2.181 56.947 54.840 -0.123 0.000 0.747 552 L CB -1.155 40.857 42.059 -0.078 0.000 0.896 552 L HN 0.622 nan 8.230 nan 0.000 0.432 553 T N 1.223 115.744 114.554 -0.054 0.000 2.720 553 T HA -0.208 4.165 4.350 0.038 0.000 0.268 553 T C 1.919 176.585 174.700 -0.057 0.000 1.037 553 T CA 1.768 63.877 62.100 0.016 0.000 1.144 553 T CB -0.378 68.593 68.868 0.172 0.000 0.864 553 T HN 0.358 nan 8.240 nan 0.000 0.444 554 L N 1.482 122.535 121.223 -0.284 0.000 2.017 554 L HA 0.085 4.448 4.340 0.038 0.000 0.208 554 L C 2.568 179.225 176.870 -0.355 0.000 1.073 554 L CA 1.998 56.510 54.840 -0.547 0.000 0.745 554 L CB -1.071 40.270 42.059 -1.196 0.000 0.894 554 L HN 0.202 nan 8.230 nan 0.000 0.432 555 A N -1.078 121.558 122.820 -0.306 0.000 1.873 555 A HA -0.248 4.095 4.320 0.038 0.000 0.215 555 A C 2.270 179.761 177.584 -0.155 0.000 1.186 555 A CA 1.754 53.648 52.037 -0.238 0.000 0.616 555 A CB -0.680 18.198 19.000 -0.205 0.000 0.823 555 A HN 0.634 nan 8.150 nan 0.000 0.442 556 Q N -0.728 119.005 119.800 -0.113 0.000 2.096 556 Q HA -0.138 4.225 4.340 0.038 0.000 0.204 556 Q C 2.383 178.357 176.000 -0.042 0.000 0.982 556 Q CA 1.648 57.412 55.803 -0.064 0.000 0.850 556 Q CB -0.373 28.342 28.738 -0.038 0.000 0.901 556 Q HN 0.697 nan 8.270 nan 0.000 0.422 557 A N -0.297 122.502 122.820 -0.034 0.000 1.877 557 A HA -0.145 4.198 4.320 0.038 0.000 0.216 557 A C 2.241 179.824 177.584 -0.002 0.000 1.186 557 A CA 1.489 53.531 52.037 0.008 0.000 0.620 557 A CB -0.686 18.347 19.000 0.054 0.000 0.822 557 A HN 0.245 nan 8.150 nan 0.000 0.443 558 V N -0.123 119.761 119.914 -0.050 0.000 2.358 558 V HA -0.205 3.938 4.120 0.038 0.000 0.246 558 V C 3.038 179.099 176.094 -0.055 0.000 1.047 558 V CA 1.827 64.097 62.300 -0.050 0.000 1.035 558 V CB -1.265 30.478 31.823 -0.134 0.000 0.658 558 V HN 0.604 nan 8.190 nan 0.000 0.452 559 A N -0.102 122.675 122.820 -0.073 0.000 1.933 559 A HA -0.260 4.083 4.320 0.038 0.000 0.218 559 A C 2.362 179.927 177.584 -0.031 0.000 1.175 559 A CA 2.116 54.118 52.037 -0.058 0.000 0.628 559 A CB -0.509 18.453 19.000 -0.063 0.000 0.814 559 A HN 0.509 nan 8.150 nan 0.000 0.444 560 K N -0.161 120.229 120.400 -0.017 0.000 2.063 560 K HA -0.200 4.143 4.320 0.038 0.000 0.208 560 K C 1.339 177.943 176.600 0.007 0.000 1.048 560 K CA 1.678 57.965 56.287 -0.000 0.000 0.928 560 K CB -0.282 32.225 32.500 0.012 0.000 0.713 560 K HN 0.458 nan 8.250 nan 0.000 0.442 561 N N 0.613 119.321 118.700 0.012 0.000 2.396 561 N HA -0.106 4.657 4.740 0.038 0.000 0.180 561 N C 1.144 176.655 175.510 0.002 0.000 1.028 561 N CA 0.680 53.742 53.050 0.021 0.000 0.893 561 N CB 0.076 38.589 38.487 0.042 0.000 0.967 561 N HN 0.155 nan 8.380 nan 0.000 0.440 562 L N -0.083 121.129 121.223 -0.018 0.000 2.607 562 L HA 0.275 4.638 4.340 0.038 0.000 0.228 562 L C 1.095 177.951 176.870 -0.024 0.000 1.123 562 L CA 0.035 54.855 54.840 -0.033 0.000 0.890 562 L CB -0.930 41.094 42.059 -0.058 0.000 1.103 562 L HN 0.165 nan 8.230 nan 0.000 0.468 563 G N 0.857 109.649 108.800 -0.014 0.000 2.295 563 G HA2 -0.289 3.694 3.960 0.038 0.000 0.287 563 G HA3 -0.289 3.694 3.960 0.038 0.000 0.287 563 G C 0.232 175.124 174.900 -0.014 0.000 1.055 563 G CA 0.372 45.467 45.100 -0.009 0.000 0.922 563 G HN 0.322 nan 8.290 nan 0.000 0.503 564 I N -0.382 120.176 120.570 -0.020 0.000 2.530 564 I HA 0.419 4.612 4.170 0.038 0.000 0.297 564 I C 0.143 176.246 176.117 -0.023 0.000 1.011 564 I CA -0.831 60.455 61.300 -0.023 0.000 1.107 564 I CB 1.836 39.815 38.000 -0.034 0.000 1.285 564 I HN 0.025 nan 8.210 nan 0.000 0.436 565 E N 4.550 124.738 120.200 -0.020 0.000 2.179 565 E HA 0.373 4.746 4.350 0.038 0.000 0.275 565 E C -1.205 175.380 176.600 -0.026 0.000 0.945 565 E CA -1.053 55.334 56.400 -0.021 0.000 0.792 565 E CB 2.360 32.052 29.700 -0.014 0.000 1.125 565 E HN 0.235 nan 8.360 nan 0.000 0.397 566 L N 2.658 123.862 121.223 -0.032 0.000 2.380 566 L HA 0.070 4.433 4.340 0.038 0.000 0.273 566 L C 1.181 178.032 176.870 -0.032 0.000 1.138 566 L CA 0.414 55.230 54.840 -0.039 0.000 0.832 566 L CB 0.747 42.776 42.059 -0.050 0.000 1.124 566 L HN 0.589 nan 8.230 nan 0.000 0.454 567 T N -1.050 113.485 114.554 -0.031 0.000 2.732 567 T HA 0.125 4.498 4.350 0.038 0.000 0.287 567 T C 1.063 175.744 174.700 -0.032 0.000 0.993 567 T CA -0.095 61.989 62.100 -0.026 0.000 0.966 567 T CB 0.462 69.318 68.868 -0.021 0.000 1.047 567 T HN 0.681 nan 8.240 nan 0.000 0.527 568 D N 0.633 121.016 120.400 -0.027 0.000 2.087 568 D HA -0.171 4.492 4.640 0.038 0.000 0.192 568 D C 1.397 177.675 176.300 -0.037 0.000 0.993 568 D CA 1.510 55.493 54.000 -0.028 0.000 0.828 568 D CB -0.724 40.063 40.800 -0.021 0.000 0.968 568 D HN 0.605 nan 8.370 nan 0.000 0.448 569 D N 1.110 121.490 120.400 -0.034 0.000 2.126 569 D HA -0.176 4.487 4.640 0.038 0.000 0.190 569 D C 2.332 178.591 176.300 -0.068 0.000 1.001 569 D CA 1.337 55.312 54.000 -0.042 0.000 0.841 569 D CB -0.314 40.469 40.800 -0.028 0.000 0.949 569 D HN 0.365 nan 8.370 nan 0.000 0.446 570 Q N -0.682 119.076 119.800 -0.071 0.000 2.226 570 Q HA -0.068 4.295 4.340 0.038 0.000 0.204 570 Q C 1.506 177.436 176.000 -0.115 0.000 0.975 570 Q CA 0.476 56.215 55.803 -0.106 0.000 0.866 570 Q CB 0.103 28.791 28.738 -0.084 0.000 0.915 570 Q HN 0.240 nan 8.270 nan 0.000 0.440 571 L N 0.759 121.932 121.223 -0.083 0.000 2.478 571 L HA -0.034 4.329 4.340 0.038 0.000 0.223 571 L C 0.919 177.743 176.870 -0.076 0.000 1.140 571 L CA 1.153 55.948 54.840 -0.075 0.000 0.842 571 L CB -0.516 41.512 42.059 -0.052 0.000 0.953 571 L HN 0.257 nan 8.230 nan 0.000 0.452 572 N N -0.595 118.057 118.700 -0.080 0.000 2.205 572 N HA 0.162 4.925 4.740 0.038 0.000 0.201 572 N C 0.591 176.046 175.510 -0.092 0.000 1.128 572 N CA -0.079 52.929 53.050 -0.070 0.000 0.867 572 N CB 0.956 39.413 38.487 -0.051 0.000 0.996 572 N HN 0.214 nan 8.380 nan 0.000 0.503 573 I N 1.900 122.385 120.570 -0.142 0.000 2.741 573 I HA -0.106 4.087 4.170 0.038 0.000 0.288 573 I C 0.398 176.427 176.117 -0.145 0.000 1.192 573 I CA 0.663 61.846 61.300 -0.196 0.000 1.426 573 I CB 0.140 37.919 38.000 -0.368 0.000 1.367 573 I HN -0.128 nan 8.210 nan 0.000 0.563 574 T N 8.283 122.775 114.554 -0.104 0.000 2.834 574 T HA 0.176 4.549 4.350 0.038 0.000 0.298 574 T C -1.916 172.747 174.700 -0.062 0.000 0.966 574 T CA -0.883 61.181 62.100 -0.060 0.000 1.141 574 T CB 0.213 69.065 68.868 -0.027 0.000 0.905 574 T HN 0.398 nan 8.240 nan 0.000 0.535 575 P HA 0.241 nan 4.420 nan 0.000 0.270 575 P C -2.493 174.819 177.300 0.020 0.000 1.223 575 P CA -1.367 61.720 63.100 -0.023 0.000 0.785 575 P CB -0.515 31.185 31.700 -0.001 0.000 0.923 576 P HA 0.271 nan 4.420 nan 0.000 0.274 576 P C -2.318 175.035 177.300 0.088 0.000 1.246 576 P CA -1.441 61.721 63.100 0.104 0.000 0.795 576 P CB -1.120 30.686 31.700 0.176 0.000 1.006 577 P HA 0.141 nan 4.420 nan 0.000 0.273 577 P C -0.389 176.961 177.300 0.083 0.000 1.250 577 P CA 0.037 63.184 63.100 0.078 0.000 0.793 577 P CB 0.415 32.162 31.700 0.078 0.000 1.011 578 D N -0.648 119.794 120.400 0.070 0.000 2.398 578 D HA 0.164 4.827 4.640 0.038 0.000 0.247 578 D C -0.232 176.113 176.300 0.075 0.000 1.227 578 D CA -0.093 53.944 54.000 0.062 0.000 0.980 578 D CB 0.422 41.253 40.800 0.052 0.000 1.106 578 D HN -0.019 nan 8.370 nan 0.000 0.493 579 V N 1.878 121.824 119.914 0.054 0.000 2.318 579 V HA 0.098 4.241 4.120 0.038 0.000 0.271 579 V C 0.028 176.202 176.094 0.133 0.000 1.030 579 V CA -0.586 61.770 62.300 0.092 0.000 0.844 579 V CB -0.025 31.767 31.823 -0.052 0.000 1.015 579 V HN 0.559 nan 8.190 nan 0.000 0.460 580 N N 4.418 123.216 118.700 0.163 0.000 2.714 580 N HA -0.222 4.541 4.740 0.038 0.000 0.252 580 N C 1.204 176.776 175.510 0.103 0.000 1.014 580 N CA 1.344 54.482 53.050 0.147 0.000 0.735 580 N CB -0.940 37.680 38.487 0.221 0.000 0.924 580 N HN 1.325 nan 8.380 nan 0.000 0.540 581 G N -2.146 106.701 108.800 0.078 0.000 2.205 581 G HA2 -0.339 3.644 3.960 0.038 0.000 0.261 581 G HA3 -0.339 3.644 3.960 0.038 0.000 0.261 581 G C 0.163 175.093 174.900 0.051 0.000 0.980 581 G CA 0.408 45.543 45.100 0.058 0.000 0.632 581 G HN 0.430 nan 8.290 nan 0.000 0.533 582 L N 1.093 122.350 121.223 0.056 0.000 2.380 582 L HA 0.372 4.735 4.340 0.038 0.000 0.273 582 L C 1.745 178.631 176.870 0.027 0.000 1.138 582 L CA -0.052 54.812 54.840 0.040 0.000 0.832 582 L CB 1.016 43.097 42.059 0.038 0.000 1.124 582 L HN 0.267 nan 8.230 nan 0.000 0.454 583 K N 3.129 123.540 120.400 0.018 0.000 2.360 583 K HA 0.175 4.518 4.320 0.038 0.000 0.196 583 K C -0.155 176.443 176.600 -0.003 0.000 1.049 583 K CA 0.090 56.385 56.287 0.013 0.000 1.049 583 K CB 0.699 33.206 32.500 0.011 0.000 0.881 583 K HN 0.674 nan 8.250 nan 0.000 0.542 584 K N -0.111 120.283 120.400 -0.011 0.000 2.639 584 K HA 0.243 4.586 4.320 0.038 0.000 0.279 584 K C -2.277 174.309 176.600 -0.023 0.000 0.976 584 K CA -0.699 55.568 56.287 -0.034 0.000 0.861 584 K CB 1.336 33.798 32.500 -0.064 0.000 1.436 584 K HN -0.153 nan 8.250 nan 0.000 0.400 585 D N 2.800 123.181 120.400 -0.031 0.000 2.479 585 D HA 0.257 4.920 4.640 0.038 0.000 0.246 585 D C -1.921 174.364 176.300 -0.026 0.000 1.336 585 D CA -2.045 51.953 54.000 -0.004 0.000 0.967 585 D CB 2.069 42.888 40.800 0.032 0.000 1.275 585 D HN 0.325 nan 8.370 nan 0.000 0.577 586 P HA -0.141 nan 4.420 nan 0.000 0.221 586 P C 1.265 178.556 177.300 -0.014 0.000 1.145 586 P CA 0.757 63.830 63.100 -0.045 0.000 0.795 586 P CB 0.095 31.777 31.700 -0.030 0.000 0.775 587 S N -0.700 115.021 115.700 0.036 0.000 2.500 587 S HA -0.066 4.427 4.470 0.038 0.000 0.239 587 S C 1.786 176.461 174.600 0.125 0.000 0.989 587 S CA 0.615 58.870 58.200 0.092 0.000 0.951 587 S CB -1.400 61.878 63.200 0.129 0.000 0.759 587 S HN 0.141 nan 8.310 nan 0.000 0.523 588 L N 1.199 122.460 121.223 0.063 0.000 2.509 588 L HA 0.225 4.588 4.340 0.038 0.000 0.222 588 L C 1.504 178.264 176.870 -0.183 0.000 1.123 588 L CA 0.114 54.980 54.840 0.044 0.000 0.856 588 L CB -0.282 41.790 42.059 0.022 0.000 0.985 588 L HN 0.331 nan 8.230 nan 0.000 0.456 589 S N -0.501 115.075 115.700 -0.208 0.000 2.610 589 S HA 0.316 4.809 4.470 0.038 0.000 0.273 589 S C 0.971 175.446 174.600 -0.208 0.000 1.274 589 S CA -0.601 57.426 58.200 -0.289 0.000 1.023 589 S CB 1.430 64.464 63.200 -0.277 0.000 0.962 589 S HN 0.155 nan 8.310 nan 0.000 0.523 590 L N 2.420 123.449 121.223 -0.324 0.000 2.162 590 L HA 0.124 4.487 4.340 0.038 0.000 0.205 590 L C 0.813 177.354 176.870 -0.548 0.000 1.086 590 L CA 0.842 55.389 54.840 -0.488 0.000 0.778 590 L CB -0.199 41.324 42.059 -0.893 0.000 0.928 590 L HN 0.767 nan 8.230 nan 0.000 0.446 591 Y N -1.959 118.326 120.300 -0.025 0.000 2.500 591 Y HA 0.343 4.917 4.550 0.039 0.000 0.246 591 Y C 2.148 178.053 175.900 0.009 0.000 1.146 591 Y CA -0.032 58.101 58.100 0.056 0.000 1.230 591 Y CB -0.453 38.089 38.460 0.137 0.000 1.214 591 Y HN -0.020 nan 8.280 nan 0.000 0.526 592 A N 0.670 123.499 122.820 0.014 0.000 1.917 592 A HA -0.110 4.233 4.320 0.038 0.000 0.219 592 A C 0.891 178.506 177.584 0.051 0.000 1.182 592 A CA 1.349 53.380 52.037 -0.009 0.000 0.633 592 A CB -0.614 18.337 19.000 -0.082 0.000 0.819 592 A HN 0.337 nan 8.150 nan 0.000 0.448 593 I N 1.484 122.089 120.570 0.059 0.000 2.390 593 I HA 0.241 4.434 4.170 0.038 0.000 0.283 593 I C -2.275 173.904 176.117 0.103 0.000 1.016 593 I CA -2.321 59.022 61.300 0.072 0.000 1.151 593 I CB 1.882 39.910 38.000 0.047 0.000 1.293 593 I HN 0.132 nan 8.210 nan 0.000 0.458 594 P HA 0.074 nan 4.420 nan 0.000 0.265 594 P C -0.622 176.747 177.300 0.116 0.000 1.193 594 P CA 0.286 63.479 63.100 0.154 0.000 0.765 594 P CB 0.904 32.693 31.700 0.149 0.000 0.823 595 D N -0.050 120.422 120.400 0.120 0.000 2.475 595 D HA 0.055 4.718 4.640 0.038 0.000 0.306 595 D C 0.743 177.094 176.300 0.085 0.000 1.304 595 D CA -0.241 53.813 54.000 0.090 0.000 0.862 595 D CB -0.788 40.059 40.800 0.079 0.000 1.306 595 D HN 0.382 nan 8.370 nan 0.000 0.494 596 G N 0.665 109.531 108.800 0.111 0.000 2.265 596 G HA2 0.308 4.291 3.960 0.038 0.000 0.240 596 G HA3 0.308 4.291 3.960 0.038 0.000 0.240 596 G C -0.583 174.361 174.900 0.073 0.000 1.270 596 G CA 0.250 45.411 45.100 0.101 0.000 0.901 596 G HN 0.239 nan 8.290 nan 0.000 0.507 597 D N 0.163 120.595 120.400 0.054 0.000 2.481 597 D HA 0.339 5.002 4.640 0.038 0.000 0.244 597 D C 1.018 177.336 176.300 0.030 0.000 1.057 597 D CA -0.452 53.568 54.000 0.034 0.000 0.848 597 D CB 2.067 42.880 40.800 0.021 0.000 1.388 597 D HN 0.342 nan 8.370 nan 0.000 0.475 598 V N 1.074 120.997 119.914 0.016 0.000 3.406 598 V HA 0.231 4.374 4.120 0.038 0.000 0.263 598 V C 0.999 177.083 176.094 -0.017 0.000 1.172 598 V CA 0.086 62.391 62.300 0.008 0.000 1.140 598 V CB -0.861 30.961 31.823 -0.003 0.000 0.784 598 V HN 0.460 nan 8.190 nan 0.000 0.467 599 K N 1.340 121.723 120.400 -0.028 0.000 2.451 599 K HA 0.352 4.695 4.320 0.038 0.000 0.280 599 K C 1.263 177.838 176.600 -0.041 0.000 1.020 599 K CA 1.053 57.305 56.287 -0.059 0.000 1.008 599 K CB 0.171 32.639 32.500 -0.054 0.000 0.917 599 K HN 0.742 nan 8.250 nan 0.000 0.478 600 G N 3.165 111.923 108.800 -0.070 0.000 2.176 600 G HA2 -0.214 3.769 3.960 0.038 0.000 0.253 600 G HA3 -0.214 3.769 3.960 0.038 0.000 0.253 600 G C 0.076 175.035 174.900 0.098 0.000 0.979 600 G CA -0.196 44.930 45.100 0.043 0.000 0.641 600 G HN 0.556 nan 8.290 nan 0.000 0.530 601 R N -0.267 120.259 120.500 0.043 0.000 2.649 601 R HA 0.645 5.008 4.340 0.038 0.000 0.270 601 R C 0.330 176.696 176.300 0.110 0.000 1.105 601 R CA -0.135 56.015 56.100 0.083 0.000 1.193 601 R CB 0.804 31.141 30.300 0.062 0.000 1.120 601 R HN 0.353 nan 8.270 nan 0.000 0.561 602 V N 0.441 120.433 119.914 0.130 0.000 2.735 602 V HA 0.487 4.630 4.120 0.038 0.000 0.310 602 V C -0.246 175.912 176.094 0.106 0.000 1.061 602 V CA -0.932 61.455 62.300 0.145 0.000 0.913 602 V CB 2.303 34.227 31.823 0.168 0.000 1.005 602 V HN 0.355 nan 8.190 nan 0.000 0.428 603 V N 2.309 122.283 119.914 0.099 0.000 2.588 603 V HA 0.793 4.936 4.120 0.038 0.000 0.304 603 V C 0.276 176.425 176.094 0.091 0.000 1.042 603 V CA -0.569 61.779 62.300 0.079 0.000 0.877 603 V CB 1.941 33.795 31.823 0.052 0.000 0.996 603 V HN 1.097 nan 8.190 nan 0.000 0.425 604 A N 5.890 128.770 122.820 0.101 0.000 2.331 604 A HA 0.821 5.164 4.320 0.038 0.000 0.283 604 A C -0.510 177.089 177.584 0.025 0.000 1.142 604 A CA -0.292 51.795 52.037 0.084 0.000 0.812 604 A CB 0.233 19.313 19.000 0.134 0.000 1.074 604 A HN 0.773 nan 8.150 nan 0.000 0.497 605 I N 3.543 124.123 120.570 0.017 0.000 2.390 605 I HA 0.183 4.376 4.170 0.038 0.000 0.283 605 I C -0.650 175.476 176.117 0.015 0.000 1.016 605 I CA -0.254 61.056 61.300 0.017 0.000 1.151 605 I CB 1.336 39.358 38.000 0.038 0.000 1.293 605 I HN 0.512 nan 8.210 nan 0.000 0.458 606 L N 7.122 128.337 121.223 -0.012 0.000 2.385 606 L HA 0.307 4.670 4.340 0.038 0.000 0.281 606 L C -0.002 176.963 176.870 0.158 0.000 1.106 606 L CA -0.097 54.788 54.840 0.074 0.000 0.856 606 L CB -0.063 41.923 42.059 -0.122 0.000 1.186 606 L HN 0.427 nan 8.230 nan 0.000 0.453 607 L N 3.858 125.218 121.223 0.228 0.000 2.421 607 L HA 0.345 4.708 4.340 0.038 0.000 0.263 607 L C 0.131 177.154 176.870 0.254 0.000 1.122 607 L CA -0.442 54.480 54.840 0.136 0.000 0.804 607 L CB 1.310 43.356 42.059 -0.023 0.000 1.150 607 L HN 0.717 nan 8.230 nan 0.000 0.457 608 N N -1.856 116.903 118.700 0.099 0.000 2.469 608 N HA 0.211 4.974 4.740 0.038 0.000 0.286 608 N C -0.136 175.330 175.510 -0.074 0.000 1.275 608 N CA -0.796 52.351 53.050 0.161 0.000 0.790 608 N CB 0.814 39.392 38.487 0.152 0.000 1.446 608 N HN 0.551 nan 8.380 nan 0.000 0.501 609 D N -1.485 118.907 120.400 -0.013 0.000 2.392 609 D HA -0.126 4.537 4.640 0.038 0.000 0.228 609 D C -0.390 175.863 176.300 -0.079 0.000 1.003 609 D CA 0.871 54.808 54.000 -0.105 0.000 0.917 609 D CB -0.112 40.701 40.800 0.021 0.000 0.890 609 D HN 0.780 nan 8.370 nan 0.000 0.532 610 E N 0.311 120.482 120.200 -0.049 0.000 3.079 610 E HA 0.210 4.583 4.350 0.038 0.000 0.329 610 E C -1.145 175.437 176.600 -0.031 0.000 1.166 610 E CA -0.420 55.956 56.400 -0.040 0.000 0.876 610 E CB 0.766 30.453 29.700 -0.021 0.000 1.479 610 E HN -0.097 nan 8.360 nan 0.000 0.384 611 V N 1.805 121.694 119.914 -0.043 0.000 2.788 611 V HA 0.029 4.172 4.120 0.038 0.000 0.307 611 V C 0.892 176.970 176.094 -0.027 0.000 1.069 611 V CA 0.182 62.464 62.300 -0.029 0.000 1.173 611 V CB 0.489 32.290 31.823 -0.035 0.000 0.925 611 V HN 0.508 nan 8.190 nan 0.000 0.492 612 R N 3.216 123.702 120.500 -0.024 0.000 2.351 612 R HA 0.112 4.475 4.340 0.038 0.000 0.321 612 R C 1.695 177.977 176.300 -0.030 0.000 1.182 612 R CA 0.660 56.742 56.100 -0.029 0.000 1.011 612 R CB 0.060 30.339 30.300 -0.036 0.000 1.048 612 R HN 1.040 nan 8.270 nan 0.000 0.490 613 S N 2.497 118.180 115.700 -0.027 0.000 2.400 613 S HA -0.343 4.150 4.470 0.038 0.000 0.234 613 S C 2.095 176.680 174.600 -0.026 0.000 1.049 613 S CA 1.257 59.443 58.200 -0.025 0.000 1.039 613 S CB -0.378 62.809 63.200 -0.022 0.000 0.856 613 S HN 0.635 nan 8.310 nan 0.000 0.465 614 A N 2.494 125.296 122.820 -0.031 0.000 1.903 614 A HA -0.234 4.109 4.320 0.038 0.000 0.219 614 A C 2.008 179.566 177.584 -0.044 0.000 1.191 614 A CA 2.090 54.106 52.037 -0.035 0.000 0.638 614 A CB -1.146 17.829 19.000 -0.041 0.000 0.823 614 A HN 0.545 nan 8.150 nan 0.000 0.451 615 D N -0.236 120.130 120.400 -0.057 0.000 2.077 615 D HA -0.097 4.566 4.640 0.038 0.000 0.193 615 D C 2.028 178.307 176.300 -0.036 0.000 0.989 615 D CA 1.076 55.031 54.000 -0.074 0.000 0.831 615 D CB -0.572 40.173 40.800 -0.090 0.000 0.979 615 D HN 0.402 nan 8.370 nan 0.000 0.449 616 L N 0.531 121.742 121.223 -0.020 0.000 1.957 616 L HA -0.262 4.101 4.340 0.038 0.000 0.228 616 L C 2.715 179.587 176.870 0.003 0.000 1.086 616 L CA 1.152 55.990 54.840 -0.002 0.000 0.796 616 L CB -0.654 41.402 42.059 -0.005 0.000 0.900 616 L HN 0.129 nan 8.230 nan 0.000 0.439 617 L N -0.834 120.387 121.223 -0.004 0.000 2.054 617 L HA -0.359 4.004 4.340 0.038 0.000 0.220 617 L C 2.771 179.645 176.870 0.006 0.000 1.081 617 L CA 1.733 56.573 54.840 0.000 0.000 0.780 617 L CB -0.587 41.469 42.059 -0.005 0.000 0.893 617 L HN 0.443 nan 8.230 nan 0.000 0.438 618 A N -0.079 122.741 122.820 0.001 0.000 1.883 618 A HA -0.231 4.112 4.320 0.038 0.000 0.217 618 A C 2.070 179.676 177.584 0.036 0.000 1.186 618 A CA 1.930 53.974 52.037 0.012 0.000 0.624 618 A CB -0.678 18.322 19.000 -0.001 0.000 0.822 618 A HN 0.448 nan 8.150 nan 0.000 0.444 619 I N -0.443 120.153 120.570 0.044 0.000 2.142 619 I HA -0.267 3.926 4.170 0.038 0.000 0.240 619 I C 2.416 178.562 176.117 0.048 0.000 1.078 619 I CA 1.297 62.640 61.300 0.071 0.000 1.343 619 I CB -0.461 37.588 38.000 0.082 0.000 1.046 619 I HN 0.271 nan 8.210 nan 0.000 0.405 620 L N 0.926 122.169 121.223 0.034 0.000 2.083 620 L HA -0.225 4.138 4.340 0.038 0.000 0.209 620 L C 2.641 179.523 176.870 0.021 0.000 1.083 620 L CA 1.676 56.532 54.840 0.027 0.000 0.752 620 L CB -0.623 41.450 42.059 0.023 0.000 0.899 620 L HN 0.356 nan 8.230 nan 0.000 0.433 621 K N 0.388 120.799 120.400 0.019 0.000 2.155 621 K HA -0.031 4.312 4.320 0.038 0.000 0.203 621 K C 2.062 178.670 176.600 0.013 0.000 1.052 621 K CA 1.148 57.443 56.287 0.013 0.000 0.948 621 K CB -0.255 32.252 32.500 0.011 0.000 0.728 621 K HN 0.115 nan 8.250 nan 0.000 0.448 622 A N 1.803 124.636 122.820 0.022 0.000 1.930 622 A HA -0.006 4.337 4.320 0.038 0.000 0.217 622 A C 2.185 179.773 177.584 0.006 0.000 1.175 622 A CA 1.078 53.127 52.037 0.020 0.000 0.627 622 A CB -0.621 18.403 19.000 0.039 0.000 0.815 622 A HN 0.302 nan 8.150 nan 0.000 0.443 623 L N -0.759 120.469 121.223 0.008 0.000 1.976 623 L HA -0.214 4.149 4.340 0.038 0.000 0.209 623 L C 2.663 179.513 176.870 -0.034 0.000 1.071 623 L CA 2.126 56.960 54.840 -0.010 0.000 0.746 623 L CB -0.523 41.538 42.059 0.004 0.000 0.890 623 L HN 0.438 nan 8.230 nan 0.000 0.432 624 K N 0.120 120.508 120.400 -0.021 0.000 2.152 624 K HA -0.183 4.160 4.320 0.038 0.000 0.206 624 K C 2.003 178.583 176.600 -0.033 0.000 1.048 624 K CA 1.258 57.528 56.287 -0.029 0.000 0.933 624 K CB -0.053 32.444 32.500 -0.005 0.000 0.721 624 K HN 0.308 nan 8.250 nan 0.000 0.447 625 A N 0.685 123.491 122.820 -0.023 0.000 2.015 625 A HA -0.092 4.251 4.320 0.038 0.000 0.219 625 A C 1.557 179.123 177.584 -0.030 0.000 1.163 625 A CA 1.257 53.282 52.037 -0.020 0.000 0.646 625 A CB -0.069 18.925 19.000 -0.010 0.000 0.806 625 A HN 0.106 nan 8.150 nan 0.000 0.448 626 K N -1.461 118.914 120.400 -0.041 0.000 2.358 626 K HA 0.206 4.549 4.320 0.038 0.000 0.197 626 K C 0.931 177.483 176.600 -0.080 0.000 1.025 626 K CA 0.631 56.889 56.287 -0.048 0.000 1.104 626 K CB 0.115 32.592 32.500 -0.039 0.000 0.855 626 K HN 0.720 nan 8.250 nan 0.000 0.531 627 G N 1.513 110.247 108.800 -0.110 0.000 2.160 627 G HA2 -0.220 3.763 3.960 0.038 0.000 0.244 627 G HA3 -0.220 3.763 3.960 0.038 0.000 0.244 627 G C -0.023 174.672 174.900 -0.342 0.000 1.022 627 G CA 0.200 45.188 45.100 -0.186 0.000 0.741 627 G HN 0.087 nan 8.290 nan 0.000 0.508 628 V N 0.710 120.459 119.914 -0.275 0.000 2.439 628 V HA 0.515 4.658 4.120 0.038 0.000 0.282 628 V C 0.698 176.622 176.094 -0.284 0.000 1.039 628 V CA -0.784 61.357 62.300 -0.265 0.000 0.913 628 V CB 1.161 32.924 31.823 -0.101 0.000 0.983 628 V HN 0.446 nan 8.190 nan 0.000 0.460 629 H N 1.826 120.909 119.070 0.022 0.000 2.488 629 H HA 0.776 5.355 4.556 0.038 0.000 0.347 629 H C 0.180 175.529 175.328 0.035 0.000 1.174 629 H CA 0.054 56.118 56.048 0.026 0.000 1.307 629 H CB 1.368 31.148 29.762 0.030 0.000 1.517 629 H HN 0.862 nan 8.280 nan 0.000 0.554 630 A N 1.443 124.366 122.820 0.172 0.000 2.435 630 A HA 0.543 4.886 4.320 0.038 0.000 0.304 630 A C -1.117 176.525 177.584 0.096 0.000 1.064 630 A CA -0.993 51.109 52.037 0.109 0.000 0.727 630 A CB 1.223 20.269 19.000 0.076 0.000 1.284 630 A HN 0.791 nan 8.150 nan 0.000 0.415 631 K N 2.475 122.927 120.400 0.086 0.000 2.507 631 K HA 0.639 4.982 4.320 0.038 0.000 0.252 631 K C -1.662 174.974 176.600 0.060 0.000 0.943 631 K CA -0.516 55.816 56.287 0.075 0.000 0.808 631 K CB 1.298 33.851 32.500 0.088 0.000 1.142 631 K HN 0.538 nan 8.250 nan 0.000 0.426 632 L N 4.683 125.933 121.223 0.045 0.000 2.283 632 L HA 0.277 4.640 4.340 0.038 0.000 0.287 632 L C -0.781 176.108 176.870 0.032 0.000 1.073 632 L CA -0.979 53.882 54.840 0.034 0.000 0.822 632 L CB 0.220 42.289 42.059 0.017 0.000 1.186 632 L HN 0.506 nan 8.230 nan 0.000 0.436 633 L N 4.537 125.786 121.223 0.044 0.000 2.329 633 L HA 0.550 4.913 4.340 0.038 0.000 0.279 633 L C -0.360 176.492 176.870 -0.030 0.000 1.014 633 L CA -0.256 54.591 54.840 0.011 0.000 0.814 633 L CB 1.404 43.508 42.059 0.076 0.000 1.257 633 L HN 0.309 nan 8.230 nan 0.000 0.424 634 Y N 0.032 120.027 120.300 -0.510 0.000 2.876 634 Y HA 0.363 4.936 4.550 0.038 0.000 0.317 634 Y C 1.038 176.233 175.900 -1.175 0.000 1.369 634 Y CA -0.618 57.061 58.100 -0.702 0.000 1.101 634 Y CB 1.624 39.914 38.460 -0.284 0.000 1.346 634 Y HN 0.563 nan 8.280 nan 0.000 0.505 635 S N 0.545 115.312 115.700 -1.554 0.000 2.575 635 S HA 0.283 4.776 4.470 0.038 0.000 0.215 635 S C 0.017 174.293 174.600 -0.540 0.000 0.966 635 S CA 0.177 57.791 58.200 -0.978 0.000 0.911 635 S CB -0.159 62.617 63.200 -0.707 0.000 0.780 635 S HN 0.643 nan 8.310 nan 0.000 0.514 636 R N -1.267 118.985 120.500 -0.414 0.000 2.766 636 R HA 0.641 5.004 4.340 0.038 0.000 0.270 636 R C -0.725 175.562 176.300 -0.021 0.000 1.035 636 R CA -1.102 54.914 56.100 -0.141 0.000 0.911 636 R CB 0.463 30.719 30.300 -0.072 0.000 1.243 636 R HN -0.034 nan 8.270 nan 0.000 0.460 637 M N -0.012 119.585 119.600 -0.005 0.000 2.310 637 M HA 0.502 5.005 4.480 0.038 0.000 0.241 637 M C 1.049 177.368 176.300 0.031 0.000 1.162 637 M CA 0.739 56.046 55.300 0.013 0.000 0.958 637 M CB 0.291 32.889 32.600 -0.002 0.000 1.348 637 M HN 1.043 nan 8.290 nan 0.000 0.541 638 G N 0.683 109.493 108.800 0.016 0.000 2.520 638 G HA2 -0.150 3.833 3.960 0.038 0.000 0.248 638 G HA3 -0.150 3.833 3.960 0.038 0.000 0.248 638 G C -0.552 174.349 174.900 0.002 0.000 1.161 638 G CA 0.197 45.304 45.100 0.011 0.000 0.946 638 G HN 0.921 nan 8.290 nan 0.000 0.565 639 E N -1.025 119.169 120.200 -0.009 0.000 2.450 639 E HA 0.717 5.090 4.350 0.038 0.000 0.272 639 E C -0.545 176.007 176.600 -0.080 0.000 0.967 639 E CA -0.504 55.872 56.400 -0.041 0.000 0.818 639 E CB 2.286 31.965 29.700 -0.036 0.000 1.401 639 E HN 1.708 nan 8.360 nan 0.000 0.450 640 V N -2.513 117.323 119.914 -0.130 0.000 3.078 640 V HA 0.747 4.890 4.120 0.038 0.000 0.311 640 V C -0.398 175.623 176.094 -0.122 0.000 1.138 640 V CA -0.733 61.458 62.300 -0.181 0.000 1.007 640 V CB 1.352 32.956 31.823 -0.365 0.000 1.045 640 V HN 0.916 nan 8.190 nan 0.000 0.432 641 T N 0.144 114.637 114.554 -0.103 0.000 2.823 641 T HA 0.889 5.262 4.350 0.038 0.000 0.279 641 T C 0.207 174.865 174.700 -0.069 0.000 0.998 641 T CA 0.036 62.094 62.100 -0.070 0.000 0.994 641 T CB 1.506 70.346 68.868 -0.047 0.000 0.960 641 T HN 1.727 nan 8.240 nan 0.000 0.448 642 A N 2.349 125.136 122.820 -0.055 0.000 2.262 642 A HA 0.400 4.743 4.320 0.038 0.000 0.273 642 A C 1.543 179.106 177.584 -0.036 0.000 1.202 642 A CA 0.038 52.047 52.037 -0.046 0.000 0.811 642 A CB -0.189 18.789 19.000 -0.037 0.000 1.159 642 A HN 0.995 nan 8.150 nan 0.000 0.505 643 D N -0.526 119.856 120.400 -0.030 0.000 2.264 643 D HA -0.161 4.502 4.640 0.038 0.000 0.208 643 D C 0.630 176.918 176.300 -0.021 0.000 0.966 643 D CA 1.416 55.402 54.000 -0.024 0.000 0.864 643 D CB -0.272 40.515 40.800 -0.022 0.000 0.933 643 D HN 0.602 nan 8.370 nan 0.000 0.499 644 D N -0.979 119.408 120.400 -0.021 0.000 2.342 644 D HA 0.162 4.825 4.640 0.038 0.000 0.221 644 D C 1.454 177.744 176.300 -0.018 0.000 1.101 644 D CA 0.379 54.368 54.000 -0.018 0.000 0.837 644 D CB -0.187 40.603 40.800 -0.017 0.000 0.938 644 D HN 0.331 nan 8.370 nan 0.000 0.508 645 G N 0.526 109.313 108.800 -0.021 0.000 2.143 645 G HA2 -0.260 3.723 3.960 0.038 0.000 0.249 645 G HA3 -0.260 3.723 3.960 0.038 0.000 0.249 645 G C 0.295 175.183 174.900 -0.021 0.000 0.981 645 G CA 0.400 45.488 45.100 -0.020 0.000 0.665 645 G HN 0.432 nan 8.290 nan 0.000 0.528 646 T N 0.734 115.274 114.554 -0.023 0.000 2.851 646 T HA 0.464 4.837 4.350 0.038 0.000 0.298 646 T C 0.647 175.329 174.700 -0.029 0.000 0.977 646 T CA -0.250 61.837 62.100 -0.022 0.000 1.126 646 T CB 2.364 71.220 68.868 -0.019 0.000 0.916 646 T HN 0.436 nan 8.240 nan 0.000 0.529 647 V N 5.320 125.219 119.914 -0.025 0.000 2.389 647 V HA 0.223 4.366 4.120 0.038 0.000 0.264 647 V C 0.135 176.210 176.094 -0.031 0.000 1.049 647 V CA -0.409 61.873 62.300 -0.030 0.000 0.932 647 V CB 0.047 31.856 31.823 -0.022 0.000 1.011 647 V HN 0.681 nan 8.190 nan 0.000 0.475 648 L N 9.046 130.242 121.223 -0.046 0.000 2.262 648 L HA 0.452 4.815 4.340 0.038 0.000 0.288 648 L C -2.112 174.730 176.870 -0.047 0.000 1.035 648 L CA -1.601 53.212 54.840 -0.045 0.000 0.820 648 L CB 1.831 43.853 42.059 -0.061 0.000 1.204 648 L HN 0.434 nan 8.230 nan 0.000 0.424 649 P HA 0.227 nan 4.420 nan 0.000 0.279 649 P C -0.599 176.692 177.300 -0.016 0.000 1.239 649 P CA -0.202 62.886 63.100 -0.019 0.000 0.789 649 P CB 1.294 32.990 31.700 -0.007 0.000 0.933 650 I N 2.284 122.847 120.570 -0.011 0.000 2.331 650 I HA 0.226 4.419 4.170 0.038 0.000 0.292 650 I C 1.564 177.684 176.117 0.006 0.000 0.998 650 I CA -0.326 60.973 61.300 -0.001 0.000 1.267 650 I CB 1.413 39.420 38.000 0.013 0.000 1.386 650 I HN 0.372 nan 8.210 nan 0.000 0.476 651 A N 5.210 128.038 122.820 0.012 0.000 1.903 651 A HA 0.604 4.947 4.320 0.038 0.000 0.213 651 A C 0.983 178.578 177.584 0.019 0.000 1.185 651 A CA 1.195 53.243 52.037 0.019 0.000 0.628 651 A CB 0.037 19.054 19.000 0.030 0.000 0.830 651 A HN 0.778 nan 8.150 nan 0.000 0.446 652 A N -1.922 120.907 122.820 0.015 0.000 2.599 652 A HA 0.596 4.939 4.320 0.038 0.000 0.290 652 A C -0.030 177.535 177.584 -0.033 0.000 1.101 652 A CA 0.114 52.157 52.037 0.011 0.000 0.674 652 A CB -0.084 18.944 19.000 0.047 0.000 1.277 652 A HN 0.711 nan 8.150 nan 0.000 0.419 653 T N -1.789 112.734 114.554 -0.052 0.000 2.847 653 T HA 0.564 4.937 4.350 0.038 0.000 0.279 653 T C 0.882 175.559 174.700 -0.037 0.000 0.984 653 T CA -0.091 61.912 62.100 -0.162 0.000 0.988 653 T CB 0.165 68.955 68.868 -0.130 0.000 1.040 653 T HN 0.435 nan 8.240 nan 0.000 0.528 654 F N 0.270 120.242 119.950 0.037 0.000 2.161 654 F HA 0.017 4.567 4.527 0.038 0.000 0.300 654 F C 2.871 178.793 175.800 0.204 0.000 1.089 654 F CA 0.776 58.850 58.000 0.122 0.000 1.282 654 F CB -0.378 38.673 39.000 0.085 0.000 1.010 654 F HN 0.694 nan 8.300 nan 0.000 0.485 655 A N -0.087 122.898 122.820 0.275 0.000 2.081 655 A HA 0.163 4.506 4.320 0.038 0.000 0.214 655 A C 2.334 179.987 177.584 0.116 0.000 1.158 655 A CA 1.076 53.218 52.037 0.174 0.000 0.724 655 A CB -1.094 17.968 19.000 0.104 0.000 0.826 655 A HN 0.357 nan 8.150 nan 0.000 0.463 656 G N -0.879 107.982 108.800 0.102 0.000 2.511 656 G HA2 0.321 4.304 3.960 0.038 0.000 0.217 656 G HA3 0.321 4.304 3.960 0.038 0.000 0.217 656 G C 0.643 175.597 174.900 0.090 0.000 1.133 656 G CA 0.907 46.048 45.100 0.069 0.000 0.792 656 G HN 0.982 nan 8.290 nan 0.000 0.539 657 A N 0.723 123.632 122.820 0.149 0.000 3.159 657 A HA 0.700 5.043 4.320 0.038 0.000 0.330 657 A C -2.647 175.082 177.584 0.241 0.000 1.032 657 A CA -1.074 51.063 52.037 0.167 0.000 0.841 657 A CB 1.088 20.188 19.000 0.168 0.000 1.093 657 A HN 0.087 nan 8.150 nan 0.000 0.478 658 P HA 0.003 nan 4.420 nan 0.000 0.271 658 P C 1.427 178.568 177.300 -0.264 0.000 1.238 658 P CA 0.547 63.600 63.100 -0.078 0.000 0.794 658 P CB 0.678 32.320 31.700 -0.097 0.000 0.959 659 S N 0.430 115.633 115.700 -0.828 0.000 2.419 659 S HA -0.159 4.334 4.470 0.038 0.000 0.235 659 S C 1.787 176.239 174.600 -0.248 0.000 1.019 659 S CA 1.147 58.961 58.200 -0.645 0.000 0.982 659 S CB -1.358 61.383 63.200 -0.765 0.000 0.789 659 S HN 0.319 nan 8.310 nan 0.000 0.490 660 L N 1.850 122.940 121.223 -0.222 0.000 2.081 660 L HA -0.106 4.257 4.340 0.038 0.000 0.212 660 L C 3.024 179.744 176.870 -0.250 0.000 1.080 660 L CA 1.724 56.437 54.840 -0.212 0.000 0.754 660 L CB -1.446 40.467 42.059 -0.243 0.000 0.893 660 L HN 0.633 nan 8.230 nan 0.000 0.433 661 T N -2.971 111.492 114.554 -0.153 0.000 3.148 661 T HA 0.170 4.543 4.350 0.038 0.000 0.253 661 T C 0.391 175.165 174.700 0.124 0.000 1.134 661 T CA 0.168 62.255 62.100 -0.022 0.000 1.051 661 T CB -0.542 68.400 68.868 0.124 0.000 0.959 661 T HN 0.160 nan 8.240 nan 0.000 0.525 662 V N -2.433 117.524 119.914 0.072 0.000 3.046 662 V HA 0.553 4.696 4.120 0.038 0.000 0.316 662 V C 0.041 176.174 176.094 0.065 0.000 1.104 662 V CA -0.996 61.371 62.300 0.112 0.000 1.006 662 V CB 2.136 34.045 31.823 0.142 0.000 1.058 662 V HN 0.028 nan 8.190 nan 0.000 0.440 663 D N 1.161 121.603 120.400 0.070 0.000 2.327 663 D HA 0.419 5.082 4.640 0.038 0.000 0.205 663 D C 0.624 176.909 176.300 -0.026 0.000 0.989 663 D CA 1.543 55.556 54.000 0.021 0.000 0.873 663 D CB 1.318 42.151 40.800 0.054 0.000 0.955 663 D HN 0.935 nan 8.370 nan 0.000 0.515 664 A N 0.238 123.060 122.820 0.003 0.000 2.610 664 A HA 0.553 4.896 4.320 0.038 0.000 0.291 664 A C -1.498 176.100 177.584 0.022 0.000 1.086 664 A CA -0.562 51.462 52.037 -0.022 0.000 0.677 664 A CB 1.769 20.737 19.000 -0.053 0.000 1.278 664 A HN -0.094 nan 8.150 nan 0.000 0.414 665 V N 1.206 121.126 119.914 0.011 0.000 2.531 665 V HA 0.534 4.677 4.120 0.038 0.000 0.301 665 V C -0.673 175.424 176.094 0.005 0.000 1.034 665 V CA -0.174 62.146 62.300 0.033 0.000 0.865 665 V CB 1.433 33.300 31.823 0.074 0.000 0.995 665 V HN 0.699 nan 8.190 nan 0.000 0.424 666 I N 4.378 124.958 120.570 0.016 0.000 2.433 666 I HA 0.581 4.774 4.170 0.038 0.000 0.292 666 I C -0.886 175.259 176.117 0.046 0.000 1.001 666 I CA -0.915 60.418 61.300 0.055 0.000 1.119 666 I CB 2.307 40.360 38.000 0.088 0.000 1.289 666 I HN 0.306 nan 8.210 nan 0.000 0.438 667 V N 7.290 127.254 119.914 0.082 0.000 2.357 667 V HA 0.326 4.469 4.120 0.038 0.000 0.281 667 V C -2.322 173.833 176.094 0.102 0.000 1.015 667 V CA -1.662 60.678 62.300 0.066 0.000 0.827 667 V CB 1.213 33.060 31.823 0.040 0.000 1.018 667 V HN 0.544 nan 8.190 nan 0.000 0.432 668 P HA 0.239 nan 4.420 nan 0.000 0.274 668 P C 0.004 177.325 177.300 0.037 0.000 1.246 668 P CA -0.339 62.781 63.100 0.034 0.000 0.795 668 P CB 0.713 32.424 31.700 0.019 0.000 1.006 669 C N 0.361 119.659 119.300 -0.004 0.000 2.500 669 C HA 0.797 5.280 4.460 0.038 0.000 0.367 669 C C 1.077 176.069 174.990 0.002 0.000 1.283 669 C CA 1.443 60.460 59.018 -0.002 0.000 2.456 669 C CB -0.755 26.966 27.740 -0.033 0.000 2.457 669 C HN 0.880 nan 8.230 nan 0.000 0.632 670 G N 2.386 111.188 108.800 0.004 0.000 2.439 670 G HA2 0.039 4.022 3.960 0.038 0.000 0.186 670 G HA3 0.039 4.022 3.960 0.038 0.000 0.186 670 G C -0.935 173.972 174.900 0.011 0.000 1.260 670 G CA -0.295 44.807 45.100 0.003 0.000 1.020 670 G HN 0.773 nan 8.290 nan 0.000 0.470 671 N N 1.916 120.628 118.700 0.019 0.000 2.819 671 N HA 0.162 4.925 4.740 0.038 0.000 0.284 671 N C 1.710 177.248 175.510 0.047 0.000 1.196 671 N CA -0.398 52.667 53.050 0.026 0.000 1.114 671 N CB -0.253 38.252 38.487 0.030 0.000 1.437 671 N HN 0.380 nan 8.380 nan 0.000 0.518 672 I N 1.128 121.714 120.570 0.028 0.000 2.454 672 I HA -0.216 3.977 4.170 0.038 0.000 0.254 672 I C 2.079 178.200 176.117 0.008 0.000 1.156 672 I CA 0.628 61.944 61.300 0.028 0.000 1.433 672 I CB -1.442 36.535 38.000 -0.039 0.000 1.082 672 I HN 0.447 nan 8.210 nan 0.000 0.432 673 A N 0.918 123.735 122.820 -0.006 0.000 1.927 673 A HA -0.323 4.020 4.320 0.038 0.000 0.220 673 A C 2.120 179.728 177.584 0.040 0.000 1.185 673 A CA 2.344 54.379 52.037 -0.004 0.000 0.639 673 A CB -0.860 18.139 19.000 -0.003 0.000 0.820 673 A HN 0.429 nan 8.150 nan 0.000 0.451 674 D N 0.187 120.632 120.400 0.075 0.000 2.149 674 D HA -0.189 4.474 4.640 0.038 0.000 0.194 674 D C 1.522 177.915 176.300 0.155 0.000 1.001 674 D CA 1.961 56.034 54.000 0.122 0.000 0.849 674 D CB -0.229 40.669 40.800 0.165 0.000 0.939 674 D HN 0.686 nan 8.370 nan 0.000 0.449 675 I N -4.104 116.581 120.570 0.190 0.000 4.154 675 I HA 0.493 4.686 4.170 0.038 0.000 0.334 675 I C 1.645 177.911 176.117 0.248 0.000 1.371 675 I CA -0.088 61.355 61.300 0.237 0.000 1.110 675 I CB 0.286 38.482 38.000 0.327 0.000 1.085 675 I HN -0.074 nan 8.210 nan 0.000 0.398 676 A N 0.894 123.791 122.820 0.128 0.000 2.067 676 A HA -0.070 4.273 4.320 0.038 0.000 0.219 676 A C 1.564 179.177 177.584 0.048 0.000 1.158 676 A CA 1.410 53.442 52.037 -0.009 0.000 0.661 676 A CB -0.347 18.519 19.000 -0.225 0.000 0.801 676 A HN 0.461 nan 8.150 nan 0.000 0.452 677 D N -0.451 119.986 120.400 0.062 0.000 2.402 677 D HA 0.026 4.689 4.640 0.038 0.000 0.216 677 D C -0.229 176.114 176.300 0.071 0.000 1.128 677 D CA -0.095 53.937 54.000 0.053 0.000 0.833 677 D CB -0.045 40.772 40.800 0.028 0.000 0.971 677 D HN 0.343 nan 8.370 nan 0.000 0.503 678 N N 0.696 119.457 118.700 0.102 0.000 2.420 678 N HA 0.060 4.823 4.740 0.038 0.000 0.249 678 N C 1.346 176.902 175.510 0.077 0.000 1.033 678 N CA -0.114 52.992 53.050 0.093 0.000 0.944 678 N CB 1.514 40.079 38.487 0.129 0.000 1.113 678 N HN -0.029 nan 8.380 nan 0.000 0.502 679 G N 3.410 112.248 108.800 0.064 0.000 2.513 679 G HA2 -0.299 3.684 3.960 0.038 0.000 0.219 679 G HA3 -0.299 3.684 3.960 0.038 0.000 0.219 679 G C 0.944 175.887 174.900 0.071 0.000 1.160 679 G CA 0.764 45.899 45.100 0.058 0.000 0.767 679 G HN 0.616 nan 8.290 nan 0.000 0.571 680 D N 0.753 121.203 120.400 0.083 0.000 2.144 680 D HA 0.028 4.691 4.640 0.038 0.000 0.200 680 D C 2.823 179.105 176.300 -0.030 0.000 0.978 680 D CA 1.119 55.187 54.000 0.115 0.000 0.833 680 D CB -0.454 40.476 40.800 0.217 0.000 0.961 680 D HN 0.321 nan 8.370 nan 0.000 0.470 681 A N 1.215 123.886 122.820 -0.249 0.000 1.902 681 A HA -0.180 4.163 4.320 0.038 0.000 0.217 681 A C 2.007 179.372 177.584 -0.365 0.000 1.181 681 A CA 1.199 52.833 52.037 -0.672 0.000 0.623 681 A CB -0.437 18.140 19.000 -0.706 0.000 0.818 681 A HN 0.158 nan 8.150 nan 0.000 0.443 682 N N -1.500 117.123 118.700 -0.127 0.000 2.142 682 N HA -0.179 4.584 4.740 0.038 0.000 0.186 682 N C 1.706 177.188 175.510 -0.047 0.000 1.023 682 N CA 1.682 54.695 53.050 -0.062 0.000 0.852 682 N CB -0.473 38.063 38.487 0.082 0.000 0.998 682 N HN 0.688 nan 8.380 nan 0.000 0.424 683 Y N 0.766 121.016 120.300 -0.084 0.000 2.165 683 Y HA -0.319 4.254 4.550 0.038 0.000 0.286 683 Y C 2.412 178.253 175.900 -0.098 0.000 1.155 683 Y CA 1.410 59.461 58.100 -0.081 0.000 1.164 683 Y CB -0.359 38.063 38.460 -0.063 0.000 0.978 683 Y HN 0.023 nan 8.280 nan 0.000 0.513 684 Y N 0.232 120.400 120.300 -0.220 0.000 2.102 684 Y HA -0.361 4.212 4.550 0.039 0.000 0.280 684 Y C 2.142 177.839 175.900 -0.338 0.000 1.178 684 Y CA 2.195 60.126 58.100 -0.281 0.000 1.146 684 Y CB -0.518 37.755 38.460 -0.313 0.000 0.968 684 Y HN 0.141 nan 8.280 nan 0.000 0.504 685 L N -1.276 119.854 121.223 -0.155 0.000 2.044 685 L HA -0.258 4.105 4.340 0.038 0.000 0.205 685 L C 2.454 179.200 176.870 -0.206 0.000 1.075 685 L CA 1.468 56.202 54.840 -0.176 0.000 0.747 685 L CB -0.476 41.439 42.059 -0.240 0.000 0.903 685 L HN 0.237 nan 8.230 nan 0.000 0.435 686 M N -0.736 118.693 119.600 -0.284 0.000 2.149 686 M HA -0.249 4.254 4.480 0.038 0.000 0.261 686 M C 2.222 178.274 176.300 -0.413 0.000 1.064 686 M CA 1.698 56.822 55.300 -0.293 0.000 1.102 686 M CB -0.407 32.022 32.600 -0.285 0.000 1.369 686 M HN 0.232 nan 8.290 nan 0.000 0.408 687 E N 0.540 120.312 120.200 -0.714 0.000 2.051 687 E HA -0.189 4.184 4.350 0.038 0.000 0.192 687 E C 2.002 178.242 176.600 -0.600 0.000 0.991 687 E CA 1.377 57.315 56.400 -0.769 0.000 0.799 687 E CB 0.001 29.197 29.700 -0.841 0.000 0.748 687 E HN 0.486 nan 8.360 nan 0.000 0.449 688 A N -0.028 122.564 122.820 -0.381 0.000 1.969 688 A HA -0.179 4.164 4.320 0.038 0.000 0.218 688 A C 1.981 179.462 177.584 -0.171 0.000 1.169 688 A CA 1.272 53.176 52.037 -0.222 0.000 0.635 688 A CB -0.738 18.179 19.000 -0.137 0.000 0.810 688 A HN 0.566 nan 8.150 nan 0.000 0.445 689 Y N 0.407 120.554 120.300 -0.255 0.000 2.220 689 Y HA -0.123 4.451 4.550 0.039 0.000 0.291 689 Y C 2.352 178.135 175.900 -0.196 0.000 1.129 689 Y CA 2.149 60.131 58.100 -0.197 0.000 1.161 689 Y CB -0.128 38.228 38.460 -0.173 0.000 0.997 689 Y HN 0.255 nan 8.280 nan 0.000 0.522 690 K N -0.355 119.958 120.400 -0.146 0.000 2.097 690 K HA -0.215 4.128 4.320 0.038 0.000 0.206 690 K C 0.684 177.184 176.600 -0.168 0.000 1.049 690 K CA 1.934 58.107 56.287 -0.190 0.000 0.933 690 K CB -0.430 31.904 32.500 -0.276 0.000 0.717 690 K HN 0.582 nan 8.250 nan 0.000 0.442 691 H N 0.720 119.680 119.070 -0.183 0.000 2.567 691 H HA 0.191 4.771 4.556 0.039 0.000 0.294 691 H C -0.056 175.125 175.328 -0.245 0.000 1.050 691 H CA -0.081 55.856 56.048 -0.185 0.000 1.168 691 H CB 0.027 29.678 29.762 -0.185 0.000 1.422 691 H HN 0.119 nan 8.280 nan 0.000 0.562 692 L N -0.078 121.010 121.223 -0.224 0.000 4.040 692 L HA -0.291 4.072 4.340 0.038 0.000 0.410 692 L C -0.343 176.286 176.870 -0.403 0.000 1.187 692 L CA 0.704 55.329 54.840 -0.357 0.000 0.956 692 L CB -1.777 40.078 42.059 -0.339 0.000 2.022 692 L HN 0.347 nan 8.230 nan 0.000 0.897 693 K N 0.795 121.010 120.400 -0.308 0.000 2.143 693 K HA 0.489 4.832 4.320 0.038 0.000 0.272 693 K C -2.117 174.350 176.600 -0.222 0.000 1.001 693 K CA -1.794 54.332 56.287 -0.268 0.000 0.915 693 K CB 0.881 33.274 32.500 -0.179 0.000 1.047 693 K HN -0.203 nan 8.250 nan 0.000 0.458 694 P HA 0.059 nan 4.420 nan 0.000 0.268 694 P C -0.794 176.441 177.300 -0.109 0.000 1.204 694 P CA 0.342 63.344 63.100 -0.164 0.000 0.768 694 P CB 0.443 32.044 31.700 -0.165 0.000 0.842 695 I N 1.789 122.309 120.570 -0.084 0.000 2.582 695 I HA 0.643 4.836 4.170 0.038 0.000 0.292 695 I C -0.431 175.653 176.117 -0.054 0.000 1.066 695 I CA -0.800 60.473 61.300 -0.045 0.000 1.053 695 I CB 2.259 40.259 38.000 0.000 0.000 1.241 695 I HN 0.264 nan 8.210 nan 0.000 0.421 696 A N 7.427 130.230 122.820 -0.029 0.000 2.374 696 A HA 0.913 5.256 4.320 0.038 0.000 0.305 696 A C -1.243 176.453 177.584 0.187 0.000 1.053 696 A CA -0.419 51.616 52.037 -0.003 0.000 0.726 696 A CB 1.068 19.957 19.000 -0.185 0.000 1.229 696 A HN 0.643 nan 8.150 nan 0.000 0.431 697 L N 2.128 123.514 121.223 0.272 0.000 2.406 697 L HA 0.714 5.077 4.340 0.038 0.000 0.270 697 L C 0.231 177.244 176.870 0.238 0.000 0.982 697 L CA -0.570 54.414 54.840 0.240 0.000 0.843 697 L CB 1.828 43.993 42.059 0.177 0.000 1.225 697 L HN 0.757 nan 8.230 nan 0.000 0.412 698 A N 2.057 124.941 122.820 0.107 0.000 2.306 698 A HA 0.869 5.212 4.320 0.038 0.000 0.314 698 A C 0.870 178.438 177.584 -0.027 0.000 1.164 698 A CA 0.402 52.401 52.037 -0.064 0.000 0.822 698 A CB 0.945 19.758 19.000 -0.312 0.000 1.130 698 A HN 1.048 nan 8.150 nan 0.000 0.496 699 G N 1.916 110.695 108.800 -0.035 0.000 2.629 699 G HA2 -0.357 3.626 3.960 0.038 0.000 0.313 699 G HA3 -0.357 3.626 3.960 0.038 0.000 0.313 699 G C 0.479 175.373 174.900 -0.009 0.000 1.217 699 G CA 0.988 46.073 45.100 -0.026 0.000 0.994 699 G HN 0.721 nan 8.290 nan 0.000 0.549 700 D N 1.549 121.939 120.400 -0.018 0.000 2.371 700 D HA 0.331 4.994 4.640 0.038 0.000 0.221 700 D C 2.486 178.768 176.300 -0.030 0.000 0.986 700 D CA 1.528 55.508 54.000 -0.033 0.000 0.899 700 D CB -0.494 40.279 40.800 -0.044 0.000 0.902 700 D HN 0.760 nan 8.370 nan 0.000 0.530 701 A N 0.534 123.375 122.820 0.035 0.000 2.015 701 A HA -0.156 4.187 4.320 0.038 0.000 0.219 701 A C 2.045 179.716 177.584 0.145 0.000 1.163 701 A CA 0.752 52.874 52.037 0.141 0.000 0.646 701 A CB -0.305 18.808 19.000 0.188 0.000 0.806 701 A HN 0.116 nan 8.150 nan 0.000 0.448 702 R N -0.430 120.115 120.500 0.076 0.000 2.211 702 R HA -0.159 4.204 4.340 0.038 0.000 0.240 702 R C 1.492 177.805 176.300 0.022 0.000 1.144 702 R CA 1.453 57.591 56.100 0.063 0.000 0.992 702 R CB -0.191 30.132 30.300 0.038 0.000 0.869 702 R HN 0.290 nan 8.270 nan 0.000 0.462 703 K N -0.213 120.154 120.400 -0.055 0.000 2.360 703 K HA -0.091 4.252 4.320 0.038 0.000 0.201 703 K C 1.252 177.752 176.600 -0.166 0.000 1.046 703 K CA 1.091 57.296 56.287 -0.137 0.000 0.945 703 K CB -0.198 32.178 32.500 -0.207 0.000 0.750 703 K HN 0.178 nan 8.250 nan 0.000 0.464 704 F N 0.850 120.783 119.950 -0.029 0.000 2.604 704 F HA -0.054 4.496 4.527 0.039 0.000 0.298 704 F C 1.617 177.380 175.800 -0.062 0.000 1.131 704 F CA 0.588 58.562 58.000 -0.044 0.000 1.457 704 F CB 0.021 38.994 39.000 -0.045 0.000 1.095 704 F HN -0.052 nan 8.300 nan 0.000 0.574 705 K N 0.272 120.730 120.400 0.098 0.000 2.218 705 K HA -0.198 4.145 4.320 0.038 0.000 0.205 705 K C 2.242 178.831 176.600 -0.019 0.000 1.046 705 K CA 1.058 57.356 56.287 0.018 0.000 0.933 705 K CB -0.311 32.194 32.500 0.008 0.000 0.728 705 K HN 0.262 nan 8.250 nan 0.000 0.454 706 A N 0.876 123.690 122.820 -0.011 0.000 1.969 706 A HA -0.155 4.188 4.320 0.038 0.000 0.218 706 A C 2.220 179.791 177.584 -0.022 0.000 1.169 706 A CA 2.049 54.070 52.037 -0.026 0.000 0.635 706 A CB -0.831 18.149 19.000 -0.033 0.000 0.810 706 A HN 0.461 nan 8.150 nan 0.000 0.445 707 T N -1.398 113.163 114.554 0.013 0.000 3.055 707 T HA 0.081 4.454 4.350 0.038 0.000 0.265 707 T C 1.248 175.900 174.700 -0.081 0.000 1.111 707 T CA 1.104 63.207 62.100 0.005 0.000 1.118 707 T CB -0.518 68.396 68.868 0.078 0.000 0.909 707 T HN 0.707 nan 8.240 nan 0.000 0.501 708 I N -2.892 117.587 120.570 -0.151 0.000 3.974 708 I HA 0.486 4.679 4.170 0.038 0.000 0.334 708 I C -0.448 175.469 176.117 -0.334 0.000 1.437 708 I CA -0.897 60.198 61.300 -0.342 0.000 1.113 708 I CB -0.022 37.633 38.000 -0.575 0.000 1.063 708 I HN -0.170 nan 8.210 nan 0.000 0.400 709 K N 2.582 122.878 120.400 -0.174 0.000 4.040 709 K HA -0.102 4.241 4.320 0.038 0.000 0.279 709 K C -0.461 176.070 176.600 -0.114 0.000 0.890 709 K CA 0.735 56.951 56.287 -0.117 0.000 0.782 709 K CB -1.612 30.835 32.500 -0.087 0.000 1.613 709 K HN 0.606 nan 8.250 nan 0.000 0.440 710 I N 0.673 121.184 120.570 -0.098 0.000 2.499 710 I HA 0.259 4.452 4.170 0.038 0.000 0.296 710 I C 1.350 177.452 176.117 -0.024 0.000 0.992 710 I CA -0.561 60.705 61.300 -0.056 0.000 1.297 710 I CB 1.359 39.332 38.000 -0.045 0.000 1.410 710 I HN 0.428 nan 8.210 nan 0.000 0.507 711 A N 3.774 126.591 122.820 -0.006 0.000 2.433 711 A HA -0.032 4.311 4.320 0.038 0.000 0.250 711 A C 0.902 178.485 177.584 -0.001 0.000 1.113 711 A CA 0.200 52.236 52.037 -0.001 0.000 0.794 711 A CB 0.078 19.082 19.000 0.007 0.000 1.067 711 A HN 0.819 nan 8.150 nan 0.000 0.510 712 D N -0.955 119.445 120.400 0.000 0.000 2.110 712 D HA -0.093 4.570 4.640 0.038 0.000 0.202 712 D C 2.332 178.635 176.300 0.005 0.000 0.975 712 D CA 1.751 55.751 54.000 0.001 0.000 0.839 712 D CB -0.240 40.560 40.800 -0.000 0.000 0.996 712 D HN 0.700 nan 8.370 nan 0.000 0.464 713 Q N 0.017 119.821 119.800 0.006 0.000 1.985 713 Q HA 0.081 4.444 4.340 0.038 0.000 0.207 713 Q C 1.066 177.073 176.000 0.011 0.000 0.996 713 Q CA 1.325 57.133 55.803 0.008 0.000 0.851 713 Q CB -0.128 28.614 28.738 0.008 0.000 0.921 713 Q HN 0.221 nan 8.270 nan 0.000 0.418 714 G N -0.394 108.413 108.800 0.011 0.000 2.327 714 G HA2 0.321 4.304 3.960 0.038 0.000 0.291 714 G HA3 0.321 4.304 3.960 0.038 0.000 0.291 714 G C -2.041 172.868 174.900 0.015 0.000 1.290 714 G CA -0.555 44.553 45.100 0.014 0.000 0.857 714 G HN 0.160 nan 8.290 nan 0.000 0.520 715 E N -0.356 119.854 120.200 0.016 0.000 2.354 715 E HA 0.352 4.725 4.350 0.038 0.000 0.283 715 E C -0.990 175.612 176.600 0.003 0.000 0.938 715 E CA -0.693 55.718 56.400 0.019 0.000 0.777 715 E CB 1.712 31.439 29.700 0.045 0.000 1.222 715 E HN 0.328 nan 8.360 nan 0.000 0.423 716 E N 0.930 121.123 120.200 -0.012 0.000 2.413 716 E HA 0.201 4.574 4.350 0.038 0.000 0.263 716 E C 0.822 177.388 176.600 -0.057 0.000 1.015 716 E CA 1.524 57.901 56.400 -0.038 0.000 0.916 716 E CB 1.190 30.861 29.700 -0.048 0.000 0.947 716 E HN 0.875 nan 8.360 nan 0.000 0.440 717 G N 2.536 111.287 108.800 -0.081 0.000 2.234 717 G HA2 -0.211 3.772 3.960 0.038 0.000 0.235 717 G HA3 -0.211 3.772 3.960 0.038 0.000 0.235 717 G C 0.180 175.038 174.900 -0.071 0.000 0.997 717 G CA -0.168 44.867 45.100 -0.109 0.000 0.623 717 G HN 0.393 nan 8.290 nan 0.000 0.514 718 I N 2.342 122.894 120.570 -0.030 0.000 2.328 718 I HA 0.465 4.658 4.170 0.038 0.000 0.287 718 I C 0.492 176.589 176.117 -0.034 0.000 1.012 718 I CA -1.099 60.197 61.300 -0.008 0.000 1.195 718 I CB 1.147 39.171 38.000 0.040 0.000 1.350 718 I HN -0.077 nan 8.210 nan 0.000 0.464 719 V N 7.511 127.376 119.914 -0.082 0.000 2.432 719 V HA 0.380 4.523 4.120 0.038 0.000 0.275 719 V C 0.301 176.399 176.094 0.007 0.000 1.043 719 V CA -0.486 61.733 62.300 -0.134 0.000 0.925 719 V CB 1.102 32.697 31.823 -0.381 0.000 0.985 719 V HN 0.842 nan 8.190 nan 0.000 0.466 720 E N 4.211 124.476 120.200 0.108 0.000 2.356 720 E HA 0.896 5.269 4.350 0.038 0.000 0.275 720 E C -0.956 175.803 176.600 0.266 0.000 0.904 720 E CA -1.024 55.514 56.400 0.230 0.000 0.757 720 E CB 2.722 32.497 29.700 0.124 0.000 1.232 720 E HN 0.776 nan 8.360 nan 0.000 0.442 721 A N 1.569 124.532 122.820 0.238 0.000 2.586 721 A HA 0.289 4.632 4.320 0.038 0.000 0.290 721 A C -0.420 177.163 177.584 -0.000 0.000 1.086 721 A CA -0.599 51.511 52.037 0.121 0.000 0.665 721 A CB 1.298 20.406 19.000 0.179 0.000 1.279 721 A HN 0.694 nan 8.150 nan 0.000 0.423 722 D N 0.156 120.541 120.400 -0.025 0.000 2.224 722 D HA 0.039 4.702 4.640 0.038 0.000 0.205 722 D C 0.798 177.037 176.300 -0.101 0.000 0.965 722 D CA 2.178 56.149 54.000 -0.047 0.000 0.852 722 D CB 0.242 41.024 40.800 -0.031 0.000 0.947 722 D HN 0.780 nan 8.370 nan 0.000 0.494 723 S N -1.514 114.086 115.700 -0.167 0.000 2.588 723 S HA 0.541 5.034 4.470 0.038 0.000 0.269 723 S C -1.010 173.312 174.600 -0.464 0.000 1.157 723 S CA -0.830 57.219 58.200 -0.251 0.000 0.824 723 S CB 1.852 64.960 63.200 -0.153 0.000 1.126 723 S HN -0.001 nan 8.310 nan 0.000 0.464 724 A N 1.974 124.467 122.820 -0.544 0.000 2.770 724 A HA 0.472 4.815 4.320 0.038 0.000 0.292 724 A C 0.274 177.703 177.584 -0.258 0.000 1.604 724 A CA 0.235 51.863 52.037 -0.682 0.000 1.271 724 A CB -1.873 16.889 19.000 -0.397 0.000 1.075 724 A HN 0.879 nan 8.150 nan 0.000 0.573 725 D N 0.509 120.823 120.400 -0.144 0.000 2.567 725 D HA 0.524 5.187 4.640 0.038 0.000 0.275 725 D C 1.259 177.623 176.300 0.106 0.000 1.195 725 D CA 0.032 54.034 54.000 0.004 0.000 1.087 725 D CB 0.368 41.175 40.800 0.013 0.000 1.165 725 D HN 0.072 nan 8.370 nan 0.000 0.609 726 G N -1.520 107.329 108.800 0.082 0.000 2.551 726 G HA2 -0.105 3.878 3.960 0.038 0.000 0.216 726 G HA3 -0.105 3.878 3.960 0.038 0.000 0.216 726 G C 1.395 176.349 174.900 0.091 0.000 1.137 726 G CA 0.672 45.822 45.100 0.083 0.000 0.798 726 G HN 0.508 nan 8.290 nan 0.000 0.536 727 S N -0.179 115.581 115.700 0.099 0.000 2.436 727 S HA 0.031 4.524 4.470 0.038 0.000 0.228 727 S C 2.034 176.701 174.600 0.112 0.000 1.014 727 S CA 0.702 58.951 58.200 0.083 0.000 0.950 727 S CB -0.377 62.864 63.200 0.068 0.000 0.784 727 S HN 0.280 nan 8.310 nan 0.000 0.504 728 F N 2.026 121.974 119.950 -0.003 0.000 2.163 728 F HA 0.134 4.684 4.527 0.038 0.000 0.297 728 F C 2.233 178.030 175.800 -0.006 0.000 1.094 728 F CA 1.344 59.342 58.000 -0.004 0.000 1.290 728 F CB -0.172 38.827 39.000 -0.002 0.000 1.017 728 F HN 0.122 nan 8.300 nan 0.000 0.483 729 M N 0.171 119.874 119.600 0.171 0.000 2.200 729 M HA -0.124 4.379 4.480 0.038 0.000 0.265 729 M C 1.638 177.918 176.300 -0.034 0.000 1.066 729 M CA 1.157 56.481 55.300 0.041 0.000 1.127 729 M CB -1.258 31.411 32.600 0.116 0.000 1.379 729 M HN 0.116 nan 8.290 nan 0.000 0.420 730 D N 0.599 120.994 120.400 -0.007 0.000 2.178 730 D HA -0.147 4.516 4.640 0.038 0.000 0.201 730 D C 1.905 178.171 176.300 -0.057 0.000 0.980 730 D CA 1.058 55.045 54.000 -0.022 0.000 0.842 730 D CB -0.171 40.627 40.800 -0.003 0.000 0.948 730 D HN 0.494 nan 8.370 nan 0.000 0.472 731 E N 0.283 120.430 120.200 -0.088 0.000 2.072 731 E HA -0.095 4.278 4.350 0.038 0.000 0.191 731 E C 2.134 178.636 176.600 -0.164 0.000 0.985 731 E CA 0.143 56.470 56.400 -0.122 0.000 0.801 731 E CB 0.010 29.622 29.700 -0.146 0.000 0.750 731 E HN 0.151 nan 8.360 nan 0.000 0.452 732 L N 0.987 122.072 121.223 -0.229 0.000 2.005 732 L HA -0.158 4.205 4.340 0.038 0.000 0.207 732 L C 2.185 178.978 176.870 -0.129 0.000 1.072 732 L CA 1.551 56.260 54.840 -0.218 0.000 0.744 732 L CB -0.443 41.449 42.059 -0.279 0.000 0.895 732 L HN 0.235 nan 8.230 nan 0.000 0.433 733 L N -0.631 120.537 121.223 -0.092 0.000 2.201 733 L HA -0.185 4.178 4.340 0.038 0.000 0.212 733 L C 2.405 179.245 176.870 -0.050 0.000 1.105 733 L CA 1.221 56.026 54.840 -0.058 0.000 0.775 733 L CB -0.624 41.412 42.059 -0.037 0.000 0.913 733 L HN 0.261 nan 8.230 nan 0.000 0.440 734 T N -0.089 114.430 114.554 -0.057 0.000 2.857 734 T HA -0.044 4.329 4.350 0.038 0.000 0.266 734 T C 1.930 176.596 174.700 -0.057 0.000 1.048 734 T CA 0.934 63.007 62.100 -0.045 0.000 1.139 734 T CB -0.044 68.799 68.868 -0.041 0.000 0.874 734 T HN 0.189 nan 8.240 nan 0.000 0.455 735 L N 0.255 121.425 121.223 -0.089 0.000 2.072 735 L HA 0.016 4.379 4.340 0.038 0.000 0.205 735 L C 2.632 179.432 176.870 -0.118 0.000 1.079 735 L CA 1.091 55.860 54.840 -0.119 0.000 0.752 735 L CB -0.552 41.416 42.059 -0.152 0.000 0.906 735 L HN 0.272 nan 8.230 nan 0.000 0.436 736 M N -0.310 119.234 119.600 -0.093 0.000 2.149 736 M HA -0.199 4.304 4.480 0.038 0.000 0.261 736 M C 2.403 178.697 176.300 -0.010 0.000 1.064 736 M CA 1.841 57.103 55.300 -0.063 0.000 1.102 736 M CB -0.458 32.115 32.600 -0.045 0.000 1.369 736 M HN 0.328 nan 8.290 nan 0.000 0.408 737 A N -0.067 122.752 122.820 -0.001 0.000 2.121 737 A HA 0.097 4.440 4.320 0.038 0.000 0.218 737 A C 2.090 179.716 177.584 0.070 0.000 1.154 737 A CA 1.543 53.602 52.037 0.037 0.000 0.679 737 A CB -0.600 18.417 19.000 0.028 0.000 0.795 737 A HN 0.501 nan 8.150 nan 0.000 0.458 738 A N -2.660 120.180 122.820 0.034 0.000 2.275 738 A HA 0.371 4.714 4.320 0.038 0.000 0.212 738 A C 0.908 178.513 177.584 0.036 0.000 1.201 738 A CA 1.185 53.252 52.037 0.050 0.000 0.843 738 A CB -0.410 18.571 19.000 -0.031 0.000 0.873 738 A HN 0.885 nan 8.150 nan 0.000 0.492 739 H N -1.367 117.645 119.070 -0.097 0.000 4.806 739 H HA -0.171 4.408 4.556 0.038 0.000 0.061 739 H C 0.007 175.126 175.328 -0.347 0.000 0.604 739 H CA 2.296 58.272 56.048 -0.121 0.000 0.938 739 H CB -0.597 29.209 29.762 0.073 0.000 0.431 739 H HN 0.440 nan 8.280 nan 0.000 0.803 740 R N -0.067 119.887 120.500 -0.911 0.000 2.837 740 R HA 0.604 4.967 4.340 0.038 0.000 0.271 740 R C -0.636 174.855 176.300 -1.349 0.000 0.993 740 R CA -0.330 55.020 56.100 -1.251 0.000 0.931 740 R CB 1.823 31.067 30.300 -1.761 0.000 1.206 740 R HN 0.100 nan 8.270 nan 0.000 0.474 741 V N 2.650 122.006 119.914 -0.930 0.000 2.222 741 V HA 0.090 4.233 4.120 0.038 0.000 0.253 741 V C 0.818 176.572 176.094 -0.566 0.000 1.210 741 V CA -0.373 61.539 62.300 -0.647 0.000 1.079 741 V CB -0.348 31.224 31.823 -0.418 0.000 1.265 741 V HN 0.722 nan 8.190 nan 0.000 0.494 742 W N 1.722 122.763 121.300 -0.431 0.000 2.350 742 W HA -0.198 4.485 4.660 0.038 0.000 0.289 742 W C 2.485 178.779 176.519 -0.376 0.000 1.215 742 W CA 0.849 57.838 57.345 -0.594 0.000 1.236 742 W CB -0.345 28.451 29.460 -1.107 0.000 1.130 742 W HN 0.658 nan 8.180 nan 0.000 0.541 743 S N 0.518 116.175 115.700 -0.072 0.000 2.547 743 S HA -0.102 4.391 4.470 0.038 0.000 0.235 743 S C 1.629 176.195 174.600 -0.056 0.000 0.980 743 S CA 0.776 58.949 58.200 -0.045 0.000 0.941 743 S CB -0.354 62.823 63.200 -0.038 0.000 0.763 743 S HN 0.404 nan 8.310 nan 0.000 0.532 744 R N 0.736 121.171 120.500 -0.108 0.000 2.246 744 R HA 0.257 4.620 4.340 0.038 0.000 0.199 744 R C 1.785 178.043 176.300 -0.071 0.000 0.984 744 R CA 0.366 56.391 56.100 -0.124 0.000 1.015 744 R CB -0.364 29.763 30.300 -0.288 0.000 0.930 744 R HN 0.448 nan 8.270 nan 0.000 0.475 745 I N 2.305 122.863 120.570 -0.021 0.000 2.091 745 I HA -0.309 3.884 4.170 0.038 0.000 0.240 745 I C -0.754 175.395 176.117 0.053 0.000 1.046 745 I CA 1.747 63.076 61.300 0.047 0.000 1.306 745 I CB -1.247 36.820 38.000 0.112 0.000 1.018 745 I HN 0.191 nan 8.210 nan 0.000 0.404 746 P HA -0.220 nan 4.420 nan 0.000 0.216 746 P C 1.076 178.410 177.300 0.057 0.000 1.154 746 P CA 1.840 64.973 63.100 0.054 0.000 0.865 746 P CB -0.257 31.470 31.700 0.045 0.000 0.789 747 K N -0.354 120.080 120.400 0.056 0.000 2.366 747 K HA 0.015 4.358 4.320 0.038 0.000 0.198 747 K C 1.984 178.653 176.600 0.115 0.000 1.044 747 K CA 0.971 57.312 56.287 0.089 0.000 0.973 747 K CB -0.563 32.012 32.500 0.125 0.000 0.767 747 K HN 0.328 nan 8.250 nan 0.000 0.475 748 I N -1.529 119.093 120.570 0.086 0.000 3.564 748 I HA 0.035 4.228 4.170 0.038 0.000 0.294 748 I C 1.368 177.537 176.117 0.087 0.000 1.289 748 I CA 0.726 62.086 61.300 0.099 0.000 1.325 748 I CB -0.093 37.926 38.000 0.033 0.000 1.039 748 I HN -0.153 nan 8.210 nan 0.000 0.474 749 D N 2.121 122.569 120.400 0.081 0.000 2.144 749 D HA -0.122 4.541 4.640 0.038 0.000 0.200 749 D C 1.372 177.712 176.300 0.066 0.000 0.978 749 D CA 1.185 55.230 54.000 0.075 0.000 0.833 749 D CB 0.230 41.072 40.800 0.071 0.000 0.961 749 D HN 0.194 nan 8.370 nan 0.000 0.470 750 K N 0.221 120.658 120.400 0.063 0.000 2.811 750 K HA 0.170 4.513 4.320 0.038 0.000 0.217 750 K C -0.223 176.404 176.600 0.044 0.000 1.115 750 K CA -0.308 56.008 56.287 0.049 0.000 1.179 750 K CB 1.090 33.615 32.500 0.042 0.000 0.994 750 K HN 0.214 nan 8.250 nan 0.000 0.464 751 I N 3.206 123.808 120.570 0.053 0.000 2.439 751 I HA 0.265 4.458 4.170 0.038 0.000 0.285 751 I C -2.696 173.442 176.117 0.035 0.000 1.021 751 I CA -2.562 58.761 61.300 0.039 0.000 1.091 751 I CB 2.180 40.222 38.000 0.070 0.000 1.242 751 I HN -0.065 nan 8.210 nan 0.000 0.439 752 P HA 0.547 nan 4.420 nan 0.000 0.274 752 P C -0.881 176.462 177.300 0.071 0.000 1.470 752 P CA -0.070 63.057 63.100 0.046 0.000 1.001 752 P CB 0.844 32.568 31.700 0.040 0.000 1.332 753 A N 0.000 122.866 122.820 0.076 0.000 2.254 753 A HA 0.000 4.343 4.320 0.038 0.000 0.244 753 A CA 0.000 52.125 52.037 0.147 0.000 0.836 753 A CB 0.000 18.978 19.000 -0.036 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486