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 1p7z_1_D 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 DTVRSIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.284 176.300 -0.026 0.000 2.045 27 D CA 0.000 53.987 54.000 -0.022 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 28 S N 0.006 115.686 115.700 -0.034 0.000 4.043 28 S HA -0.040 4.444 4.470 0.023 0.000 0.402 28 S C 0.408 174.971 174.600 -0.061 0.000 0.815 28 S CA 0.045 58.217 58.200 -0.046 0.000 0.987 28 S CB -1.591 61.586 63.200 -0.038 0.000 0.643 28 S HN 0.223 nan 8.310 nan 0.000 0.663 29 L N 0.850 122.030 121.223 -0.072 0.000 2.529 29 L HA 0.414 4.768 4.340 0.023 0.000 0.223 29 L C 1.516 178.311 176.870 -0.126 0.000 1.113 29 L CA 0.683 55.476 54.840 -0.078 0.000 0.861 29 L CB -0.323 41.702 42.059 -0.056 0.000 1.012 29 L HN 0.642 nan 8.230 nan 0.000 0.461 30 A N 1.463 124.153 122.820 -0.216 0.000 2.425 30 A HA 0.371 4.705 4.320 0.023 0.000 0.242 30 A C -1.963 175.470 177.584 -0.251 0.000 1.077 30 A CA -0.884 50.908 52.037 -0.408 0.000 0.781 30 A CB -0.580 17.898 19.000 -0.869 0.000 1.020 30 A HN -0.004 nan 8.150 nan 0.000 0.494 31 P HA 0.118 nan 4.420 nan 0.000 0.271 31 P C 0.127 177.404 177.300 -0.038 0.000 1.216 31 P CA -0.006 63.057 63.100 -0.062 0.000 0.776 31 P CB 0.887 32.591 31.700 0.006 0.000 0.881 32 E N 2.118 122.307 120.200 -0.018 0.000 2.268 32 E HA -0.208 4.155 4.350 0.023 0.000 0.195 32 E C 1.117 177.733 176.600 0.026 0.000 0.995 32 E CA 1.478 57.877 56.400 -0.002 0.000 0.836 32 E CB -0.442 29.255 29.700 -0.005 0.000 0.763 32 E HN 0.477 nan 8.360 nan 0.000 0.491 33 D N -0.950 119.472 120.400 0.036 0.000 2.348 33 D HA -0.017 4.637 4.640 0.023 0.000 0.216 33 D C 1.414 177.761 176.300 0.079 0.000 0.970 33 D CA 0.950 54.978 54.000 0.047 0.000 0.889 33 D CB -0.458 40.365 40.800 0.038 0.000 0.912 33 D HN 0.267 nan 8.370 nan 0.000 0.524 34 G N 0.083 108.969 108.800 0.143 0.000 2.148 34 G HA2 -0.335 3.638 3.960 0.023 0.000 0.254 34 G HA3 -0.335 3.638 3.960 0.023 0.000 0.254 34 G C 0.955 175.954 174.900 0.164 0.000 0.981 34 G CA 0.876 46.107 45.100 0.218 0.000 0.670 34 G HN 0.762 nan 8.290 nan 0.000 0.528 35 S N 0.435 116.241 115.700 0.176 0.000 2.603 35 S HA 0.027 4.511 4.470 0.023 0.000 0.220 35 S C 1.851 176.514 174.600 0.105 0.000 0.967 35 S CA 0.995 59.252 58.200 0.094 0.000 0.920 35 S CB -0.486 62.756 63.200 0.069 0.000 0.773 35 S HN 0.940 nan 8.310 nan 0.000 0.529 36 H N 0.404 119.481 119.070 0.013 0.000 2.535 36 H HA 0.315 4.885 4.556 0.022 0.000 0.273 36 H C 0.615 175.955 175.328 0.021 0.000 0.983 36 H CA 0.100 56.156 56.048 0.015 0.000 1.238 36 H CB -0.259 29.511 29.762 0.013 0.000 1.412 36 H HN 0.262 nan 8.280 nan 0.000 0.562 37 R N 3.122 123.293 120.500 -0.548 0.000 2.246 37 R HA 0.326 4.679 4.340 0.023 0.000 0.332 37 R C -2.548 173.655 176.300 -0.162 0.000 0.974 37 R CA -2.507 53.351 56.100 -0.403 0.000 0.837 37 R CB 0.677 30.610 30.300 -0.613 0.000 1.145 37 R HN 0.136 nan 8.270 nan 0.000 0.467 38 P HA 0.103 nan 4.420 nan 0.000 0.268 38 P C -0.792 176.497 177.300 -0.019 0.000 1.205 38 P CA -0.281 62.805 63.100 -0.023 0.000 0.771 38 P CB 0.919 32.629 31.700 0.017 0.000 0.858 39 A N 3.130 125.947 122.820 -0.006 0.000 2.477 39 A HA 0.390 4.724 4.320 0.023 0.000 0.246 39 A C 1.022 178.615 177.584 0.015 0.000 1.078 39 A CA -0.008 52.029 52.037 0.001 0.000 0.770 39 A CB -0.281 18.722 19.000 0.006 0.000 1.011 39 A HN 0.595 nan 8.150 nan 0.000 0.494 40 A N 2.345 125.174 122.820 0.015 0.000 3.077 40 A HA 0.498 4.831 4.320 0.023 0.000 0.255 40 A C 0.276 177.877 177.584 0.028 0.000 1.728 40 A CA 0.456 52.508 52.037 0.025 0.000 1.383 40 A CB -0.911 18.102 19.000 0.021 0.000 1.097 40 A HN 0.998 nan 8.150 nan 0.000 0.634 41 E N 0.214 120.433 120.200 0.031 0.000 2.390 41 E HA 0.566 4.930 4.350 0.023 0.000 0.280 41 E C -3.313 173.308 176.600 0.035 0.000 0.992 41 E CA -1.851 54.569 56.400 0.033 0.000 0.790 41 E CB 1.399 31.114 29.700 0.025 0.000 1.248 41 E HN 0.029 nan 8.360 nan 0.000 0.447 42 P HA 0.135 nan 4.420 nan 0.000 0.263 42 P C -0.966 176.344 177.300 0.016 0.000 1.195 42 P CA 0.164 63.279 63.100 0.024 0.000 0.762 42 P CB 0.558 32.261 31.700 0.005 0.000 0.799 43 T N 0.776 115.336 114.554 0.011 0.000 2.916 43 T HA 0.627 4.991 4.350 0.023 0.000 0.305 43 T C -3.077 171.602 174.700 -0.035 0.000 1.119 43 T CA -2.736 59.366 62.100 0.002 0.000 1.008 43 T CB 1.627 70.500 68.868 0.009 0.000 1.129 43 T HN -0.000 nan 8.240 nan 0.000 0.480 44 P HA 0.343 nan 4.420 nan 0.000 0.272 44 P C -2.738 174.438 177.300 -0.206 0.000 1.223 44 P CA -1.579 61.389 63.100 -0.219 0.000 0.784 44 P CB -0.957 30.685 31.700 -0.097 0.000 0.923 45 P HA 0.046 nan 4.420 nan 0.000 0.260 45 P C 1.089 178.341 177.300 -0.080 0.000 1.185 45 P CA 1.356 64.357 63.100 -0.165 0.000 0.763 45 P CB -0.300 31.291 31.700 -0.181 0.000 0.776 46 G N 3.140 111.923 108.800 -0.028 0.000 2.258 46 G HA2 -0.345 3.629 3.960 0.023 0.000 0.233 46 G HA3 -0.345 3.629 3.960 0.023 0.000 0.233 46 G C 1.225 176.124 174.900 -0.002 0.000 1.006 46 G CA 0.445 45.542 45.100 -0.005 0.000 0.620 46 G HN 0.646 nan 8.290 nan 0.000 0.511 47 A N -0.409 122.405 122.820 -0.010 0.000 1.902 47 A HA 0.294 4.628 4.320 0.023 0.000 0.217 47 A C 1.438 179.026 177.584 0.008 0.000 1.181 47 A CA 2.292 54.329 52.037 -0.000 0.000 0.623 47 A CB -0.160 18.838 19.000 -0.003 0.000 0.818 47 A HN 0.674 nan 8.150 nan 0.000 0.443 48 Q N -1.271 118.537 119.800 0.013 0.000 2.528 48 Q HA 0.466 4.819 4.340 0.023 0.000 0.289 48 Q C -2.985 173.031 176.000 0.027 0.000 1.091 48 Q CA -2.359 53.455 55.803 0.018 0.000 0.797 48 Q CB 0.384 29.134 28.738 0.021 0.000 1.466 48 Q HN 0.092 nan 8.270 nan 0.000 0.436 49 P HA 0.017 nan 4.420 nan 0.000 0.268 49 P C -0.155 177.178 177.300 0.056 0.000 1.204 49 P CA 0.170 63.287 63.100 0.027 0.000 0.768 49 P CB 0.191 31.903 31.700 0.020 0.000 0.842 50 T N -0.138 114.454 114.554 0.064 0.000 2.766 50 T HA 0.605 4.968 4.350 0.023 0.000 0.295 50 T C 0.082 174.886 174.700 0.173 0.000 1.024 50 T CA -0.461 61.735 62.100 0.160 0.000 1.018 50 T CB 0.699 69.637 68.868 0.117 0.000 1.002 50 T HN 0.620 nan 8.240 nan 0.000 0.532 51 A N 1.116 124.136 122.820 0.334 0.000 2.599 51 A HA 0.754 5.087 4.320 0.023 0.000 0.290 51 A C -3.094 174.756 177.584 0.442 0.000 1.101 51 A CA -1.958 50.244 52.037 0.274 0.000 0.674 51 A CB 0.448 19.550 19.000 0.169 0.000 1.277 51 A HN 0.649 nan 8.150 nan 0.000 0.419 52 P HA 0.097 nan 4.420 nan 0.000 0.263 52 P C 1.285 178.734 177.300 0.249 0.000 1.175 52 P CA 1.114 64.422 63.100 0.348 0.000 0.761 52 P CB 0.511 32.338 31.700 0.211 0.000 0.794 53 G N 2.731 111.644 108.800 0.189 0.000 2.529 53 G HA2 -0.336 3.638 3.960 0.023 0.000 0.219 53 G HA3 -0.336 3.638 3.960 0.023 0.000 0.219 53 G C 1.593 176.511 174.900 0.031 0.000 1.177 53 G CA 1.288 46.408 45.100 0.034 0.000 0.773 53 G HN 0.597 nan 8.290 nan 0.000 0.573 54 S N -0.036 115.685 115.700 0.035 0.000 2.515 54 S HA 0.156 4.640 4.470 0.023 0.000 0.231 54 S C 2.206 176.824 174.600 0.030 0.000 0.987 54 S CA 0.846 59.052 58.200 0.011 0.000 0.936 54 S CB -0.159 63.037 63.200 -0.006 0.000 0.766 54 S HN 0.339 nan 8.310 nan 0.000 0.528 55 L N -0.236 121.021 121.223 0.056 0.000 2.298 55 L HA 0.287 4.641 4.340 0.023 0.000 0.209 55 L C 2.632 179.534 176.870 0.052 0.000 1.084 55 L CA 0.744 55.616 54.840 0.054 0.000 0.816 55 L CB -0.336 41.763 42.059 0.067 0.000 0.967 55 L HN 0.244 nan 8.230 nan 0.000 0.460 56 K N 1.526 121.966 120.400 0.067 0.000 2.116 56 K HA 0.066 4.400 4.320 0.023 0.000 0.203 56 K C 0.721 177.349 176.600 0.046 0.000 1.052 56 K CA 1.238 57.565 56.287 0.066 0.000 0.952 56 K CB 0.159 32.715 32.500 0.093 0.000 0.729 56 K HN 0.130 nan 8.250 nan 0.000 0.446 57 A N 0.915 123.755 122.820 0.032 0.000 3.317 57 A HA 0.365 4.698 4.320 0.023 0.000 0.307 57 A C -2.212 175.376 177.584 0.007 0.000 1.003 57 A CA -1.092 50.961 52.037 0.027 0.000 0.882 57 A CB 0.613 19.632 19.000 0.031 0.000 1.136 57 A HN 0.132 nan 8.150 nan 0.000 0.488 58 P HA -0.151 nan 4.420 nan 0.000 0.218 58 P C 0.296 177.589 177.300 -0.012 0.000 1.148 58 P CA 1.309 64.407 63.100 -0.002 0.000 0.822 58 P CB 0.310 32.013 31.700 0.005 0.000 0.784 59 D N -1.233 119.164 120.400 -0.005 0.000 2.349 59 D HA -0.002 4.651 4.640 0.023 0.000 0.215 59 D C 0.301 176.588 176.300 -0.021 0.000 1.016 59 D CA 0.653 54.647 54.000 -0.010 0.000 0.870 59 D CB -0.507 40.295 40.800 0.003 0.000 0.917 59 D HN 0.121 nan 8.370 nan 0.000 0.524 60 T N 3.249 117.789 114.554 -0.024 0.000 2.776 60 T HA 0.216 4.579 4.350 0.023 0.000 0.292 60 T C 0.485 175.140 174.700 -0.074 0.000 0.921 60 T CA -0.345 61.725 62.100 -0.049 0.000 1.038 60 T CB 0.683 69.518 68.868 -0.054 0.000 0.910 60 T HN -0.143 nan 8.240 nan 0.000 0.536 61 R N 3.075 123.525 120.500 -0.083 0.000 2.892 61 R HA 0.698 5.051 4.340 0.023 0.000 0.265 61 R C -0.139 176.101 176.300 -0.099 0.000 1.025 61 R CA -1.068 54.976 56.100 -0.092 0.000 0.982 61 R CB 1.435 31.688 30.300 -0.078 0.000 1.185 61 R HN 0.778 nan 8.270 nan 0.000 0.484 62 N N -2.567 116.078 118.700 -0.093 0.000 3.020 62 N HA 0.038 4.792 4.740 0.023 0.000 0.248 62 N C 0.194 175.661 175.510 -0.072 0.000 1.480 62 N CA -0.759 52.249 53.050 -0.070 0.000 0.874 62 N CB 0.761 39.237 38.487 -0.019 0.000 1.433 62 N HN 0.547 nan 8.380 nan 0.000 0.530 63 E N -0.247 119.924 120.200 -0.048 0.000 2.110 63 E HA -0.245 4.118 4.350 0.023 0.000 0.193 63 E C 1.043 177.575 176.600 -0.113 0.000 0.988 63 E CA 1.362 57.727 56.400 -0.058 0.000 0.804 63 E CB 0.069 29.758 29.700 -0.018 0.000 0.745 63 E HN 0.491 nan 8.360 nan 0.000 0.458 64 K N 0.774 121.076 120.400 -0.163 0.000 2.062 64 K HA -0.063 4.270 4.320 0.023 0.000 0.205 64 K C 2.138 178.582 176.600 -0.259 0.000 1.051 64 K CA 1.032 57.132 56.287 -0.312 0.000 0.941 64 K CB -0.383 31.767 32.500 -0.584 0.000 0.719 64 K HN 0.180 nan 8.250 nan 0.000 0.440 65 L N 0.835 121.922 121.223 -0.226 0.000 2.046 65 L HA -0.213 4.141 4.340 0.023 0.000 0.208 65 L C 1.857 178.615 176.870 -0.187 0.000 1.077 65 L CA 1.288 55.967 54.840 -0.269 0.000 0.747 65 L CB -0.582 41.313 42.059 -0.273 0.000 0.896 65 L HN 0.263 nan 8.230 nan 0.000 0.432 66 N N -0.345 118.271 118.700 -0.140 0.000 2.188 66 N HA -0.149 4.605 4.740 0.023 0.000 0.184 66 N C 2.047 177.498 175.510 -0.100 0.000 1.018 66 N CA 1.647 54.635 53.050 -0.104 0.000 0.858 66 N CB -0.371 38.068 38.487 -0.080 0.000 0.989 66 N HN 0.355 nan 8.380 nan 0.000 0.426 67 S N 0.172 115.802 115.700 -0.116 0.000 2.515 67 S HA 0.055 4.538 4.470 0.023 0.000 0.231 67 S C 1.762 176.298 174.600 -0.108 0.000 0.987 67 S CA 0.325 58.463 58.200 -0.104 0.000 0.936 67 S CB -0.357 62.775 63.200 -0.113 0.000 0.766 67 S HN 0.233 nan 8.310 nan 0.000 0.528 68 L N 0.607 121.753 121.223 -0.129 0.000 2.558 68 L HA 0.225 4.579 4.340 0.023 0.000 0.225 68 L C 2.586 179.404 176.870 -0.087 0.000 1.128 68 L CA 0.461 55.231 54.840 -0.117 0.000 0.868 68 L CB -0.279 41.691 42.059 -0.149 0.000 1.006 68 L HN 0.270 nan 8.230 nan 0.000 0.454 69 E N 1.034 121.186 120.200 -0.080 0.000 2.160 69 E HA -0.256 4.108 4.350 0.023 0.000 0.195 69 E C 1.663 178.236 176.600 -0.046 0.000 0.991 69 E CA 1.465 57.830 56.400 -0.058 0.000 0.810 69 E CB -0.059 29.611 29.700 -0.051 0.000 0.742 69 E HN 0.553 nan 8.360 nan 0.000 0.466 70 D N -0.544 119.827 120.400 -0.047 0.000 2.263 70 D HA -0.144 4.509 4.640 0.023 0.000 0.208 70 D C 1.565 177.842 176.300 -0.039 0.000 0.971 70 D CA 1.533 55.509 54.000 -0.040 0.000 0.867 70 D CB -0.287 40.490 40.800 -0.039 0.000 0.929 70 D HN 0.302 nan 8.370 nan 0.000 0.492 71 V N -3.726 116.162 119.914 -0.043 0.000 3.528 71 V HA 0.333 4.467 4.120 0.023 0.000 0.294 71 V C 0.826 176.901 176.094 -0.031 0.000 1.404 71 V CA -0.725 61.553 62.300 -0.037 0.000 1.065 71 V CB -0.471 31.329 31.823 -0.038 0.000 0.904 71 V HN -0.163 nan 8.190 nan 0.000 0.435 72 R N 1.930 122.411 120.500 -0.032 0.000 2.537 72 R HA 0.419 4.772 4.340 0.023 0.000 0.280 72 R C -0.167 176.118 176.300 -0.024 0.000 1.058 72 R CA 0.159 56.247 56.100 -0.020 0.000 1.057 72 R CB 0.620 30.910 30.300 -0.017 0.000 0.973 72 R HN 0.328 nan 8.270 nan 0.000 0.438 73 K N 1.065 121.453 120.400 -0.020 0.000 2.345 73 K HA 0.313 4.646 4.320 0.023 0.000 0.255 73 K C -0.100 176.487 176.600 -0.021 0.000 0.934 73 K CA -0.406 55.852 56.287 -0.048 0.000 0.801 73 K CB 2.126 34.589 32.500 -0.062 0.000 1.137 73 K HN 0.765 nan 8.250 nan 0.000 0.424 74 G N 0.272 109.057 108.800 -0.025 0.000 2.509 74 G HA2 0.252 4.225 3.960 0.023 0.000 0.269 74 G HA3 0.252 4.225 3.960 0.023 0.000 0.269 74 G C 0.482 175.429 174.900 0.080 0.000 1.416 74 G CA 0.178 45.321 45.100 0.071 0.000 1.052 74 G HN 0.666 nan 8.290 nan 0.000 0.542 75 S N -2.556 113.281 115.700 0.228 0.000 3.352 75 S HA 0.137 4.621 4.470 0.023 0.000 0.242 75 S C 0.278 175.076 174.600 0.329 0.000 1.075 75 S CA -0.153 58.193 58.200 0.243 0.000 1.026 75 S CB 0.004 63.279 63.200 0.126 0.000 1.009 75 S HN 0.522 nan 8.310 nan 0.000 0.429 76 E N 3.144 123.465 120.200 0.201 0.000 2.502 76 E HA 0.177 4.541 4.350 0.023 0.000 0.261 76 E C -0.253 176.319 176.600 -0.046 0.000 0.974 76 E CA 0.440 56.890 56.400 0.084 0.000 0.936 76 E CB -0.000 29.731 29.700 0.053 0.000 0.926 76 E HN 0.419 nan 8.360 nan 0.000 0.459 77 N N 0.506 119.158 118.700 -0.080 0.000 2.828 77 N HA -0.218 4.536 4.740 0.023 0.000 0.248 77 N C -1.088 174.249 175.510 -0.288 0.000 1.044 77 N CA 1.177 54.112 53.050 -0.192 0.000 0.851 77 N CB -1.472 36.857 38.487 -0.263 0.000 1.136 77 N HN 0.385 nan 8.380 nan 0.000 0.572 78 Y N 0.628 120.932 120.300 0.007 0.000 2.419 78 Y HA 0.632 5.196 4.550 0.024 0.000 0.328 78 Y C 0.994 176.895 175.900 0.002 0.000 1.162 78 Y CA -0.471 57.632 58.100 0.005 0.000 1.174 78 Y CB 1.012 39.475 38.460 0.005 0.000 1.228 78 Y HN 0.132 nan 8.280 nan 0.000 0.473 79 A N 2.442 125.372 122.820 0.183 0.000 2.407 79 A HA 0.379 4.713 4.320 0.023 0.000 0.248 79 A C -0.732 176.902 177.584 0.084 0.000 1.082 79 A CA -0.499 51.596 52.037 0.097 0.000 0.785 79 A CB 0.056 19.101 19.000 0.075 0.000 1.020 79 A HN 0.699 nan 8.150 nan 0.000 0.489 80 L N 2.918 124.169 121.223 0.047 0.000 2.360 80 L HA 0.513 4.866 4.340 0.023 0.000 0.276 80 L C 0.649 177.528 176.870 0.015 0.000 1.121 80 L CA 1.102 55.957 54.840 0.025 0.000 0.845 80 L CB 0.250 42.314 42.059 0.009 0.000 1.143 80 L HN 0.927 nan 8.230 nan 0.000 0.452 81 T N 0.440 114.997 114.554 0.005 0.000 2.831 81 T HA 0.695 5.059 4.350 0.023 0.000 0.287 81 T C 0.265 174.965 174.700 0.000 0.000 1.070 81 T CA -0.150 61.955 62.100 0.008 0.000 1.010 81 T CB 0.960 69.837 68.868 0.014 0.000 1.264 81 T HN 0.770 nan 8.240 nan 0.000 0.532 82 T N -0.160 114.408 114.554 0.023 0.000 2.732 82 T HA 0.275 4.639 4.350 0.023 0.000 0.287 82 T C 1.017 175.728 174.700 0.018 0.000 0.993 82 T CA -0.603 61.517 62.100 0.032 0.000 0.966 82 T CB -0.034 68.898 68.868 0.106 0.000 1.047 82 T HN 0.548 nan 8.240 nan 0.000 0.527 83 N N 0.387 119.098 118.700 0.019 0.000 2.459 83 N HA -0.059 4.695 4.740 0.023 0.000 0.181 83 N C 1.608 177.129 175.510 0.019 0.000 1.046 83 N CA 0.571 53.621 53.050 0.001 0.000 0.904 83 N CB -0.141 38.349 38.487 0.005 0.000 0.964 83 N HN 0.557 nan 8.380 nan 0.000 0.444 84 Q N -0.510 119.316 119.800 0.043 0.000 2.403 84 Q HA 0.180 4.534 4.340 0.023 0.000 0.203 84 Q C 0.845 176.864 176.000 0.032 0.000 0.932 84 Q CA 0.274 56.100 55.803 0.038 0.000 0.945 84 Q CB 0.493 29.260 28.738 0.049 0.000 1.045 84 Q HN 0.406 nan 8.270 nan 0.000 0.511 85 G N 0.381 109.199 108.800 0.030 0.000 2.157 85 G HA2 -0.234 3.740 3.960 0.023 0.000 0.239 85 G HA3 -0.234 3.740 3.960 0.023 0.000 0.239 85 G C 0.119 175.044 174.900 0.042 0.000 0.982 85 G CA 0.092 45.206 45.100 0.025 0.000 0.650 85 G HN 0.220 nan 8.290 nan 0.000 0.527 86 V N 1.990 121.945 119.914 0.067 0.000 2.461 86 V HA 0.376 4.509 4.120 0.023 0.000 0.275 86 V C 1.301 177.434 176.094 0.066 0.000 1.047 86 V CA -0.492 61.860 62.300 0.087 0.000 0.955 86 V CB 1.006 32.926 31.823 0.162 0.000 0.988 86 V HN 0.415 nan 8.190 nan 0.000 0.471 87 R N 4.328 124.860 120.500 0.052 0.000 2.643 87 R HA 0.414 4.768 4.340 0.023 0.000 0.270 87 R C -0.520 175.794 176.300 0.023 0.000 1.061 87 R CA -0.114 56.007 56.100 0.035 0.000 1.107 87 R CB 0.571 30.890 30.300 0.033 0.000 0.999 87 R HN 0.571 nan 8.270 nan 0.000 0.460 88 I N 1.439 122.011 120.570 0.003 0.000 2.392 88 I HA 0.179 4.362 4.170 0.023 0.000 0.295 88 I C 0.784 176.890 176.117 -0.018 0.000 0.985 88 I CA -0.064 61.222 61.300 -0.023 0.000 1.221 88 I CB 1.969 39.944 38.000 -0.041 0.000 1.366 88 I HN 0.771 nan 8.210 nan 0.000 0.467 89 A N 3.624 126.429 122.820 -0.025 0.000 1.942 89 A HA 0.072 4.406 4.320 0.023 0.000 0.209 89 A C 0.541 178.109 177.584 -0.026 0.000 1.214 89 A CA 0.736 52.762 52.037 -0.019 0.000 0.686 89 A CB 0.138 19.130 19.000 -0.014 0.000 0.871 89 A HN 0.671 nan 8.150 nan 0.000 0.460 90 D N -0.379 119.998 120.400 -0.039 0.000 2.421 90 D HA 0.327 4.981 4.640 0.023 0.000 0.254 90 D C -1.356 174.911 176.300 -0.054 0.000 1.238 90 D CA -0.327 53.648 54.000 -0.041 0.000 0.919 90 D CB 1.185 41.961 40.800 -0.039 0.000 1.152 90 D HN 0.058 nan 8.370 nan 0.000 0.552 91 D N 1.971 122.342 120.400 -0.049 0.000 2.395 91 D HA 0.053 4.707 4.640 0.023 0.000 0.226 91 D C 0.618 176.886 176.300 -0.053 0.000 1.146 91 D CA 0.273 54.240 54.000 -0.055 0.000 0.830 91 D CB 0.500 41.272 40.800 -0.047 0.000 0.958 91 D HN 0.224 nan 8.370 nan 0.000 0.501 92 Q N -0.630 119.141 119.800 -0.049 0.000 2.246 92 Q HA 0.274 4.627 4.340 0.023 0.000 0.222 92 Q C -0.186 175.785 176.000 -0.049 0.000 0.851 92 Q CA 0.175 55.950 55.803 -0.047 0.000 0.945 92 Q CB 0.813 29.528 28.738 -0.038 0.000 1.122 92 Q HN 0.202 nan 8.270 nan 0.000 0.508 93 N N -0.013 118.656 118.700 -0.052 0.000 2.277 93 N HA 0.310 5.063 4.740 0.023 0.000 0.286 93 N C -0.973 174.504 175.510 -0.056 0.000 1.140 93 N CA -0.252 52.769 53.050 -0.048 0.000 0.799 93 N CB 2.105 40.568 38.487 -0.039 0.000 1.596 93 N HN -0.184 nan 8.380 nan 0.000 0.473 94 S N 0.679 116.349 115.700 -0.049 0.000 2.632 94 S HA 0.313 4.796 4.470 0.023 0.000 0.267 94 S C 0.078 174.653 174.600 -0.042 0.000 1.276 94 S CA -0.545 57.625 58.200 -0.049 0.000 0.998 94 S CB 0.703 63.880 63.200 -0.038 0.000 0.953 94 S HN 0.383 nan 8.310 nan 0.000 0.547 95 L N 3.047 124.245 121.223 -0.041 0.000 2.290 95 L HA 0.437 4.790 4.340 0.023 0.000 0.284 95 L C 0.046 176.908 176.870 -0.014 0.000 1.078 95 L CA 0.317 55.141 54.840 -0.027 0.000 0.815 95 L CB -0.038 42.007 42.059 -0.023 0.000 1.162 95 L HN 0.700 nan 8.230 nan 0.000 0.435 96 R N 4.097 124.591 120.500 -0.010 0.000 2.867 96 R HA 0.861 5.214 4.340 0.023 0.000 0.268 96 R C -1.027 175.272 176.300 -0.001 0.000 1.014 96 R CA -0.886 55.211 56.100 -0.005 0.000 0.946 96 R CB 1.097 31.392 30.300 -0.008 0.000 1.208 96 R HN 0.565 nan 8.270 nan 0.000 0.477 97 A N 1.147 123.967 122.820 0.001 0.000 2.807 97 A HA 0.575 4.909 4.320 0.023 0.000 0.307 97 A C 0.522 178.106 177.584 0.000 0.000 1.532 97 A CA 0.315 52.354 52.037 0.003 0.000 1.215 97 A CB -1.016 17.987 19.000 0.005 0.000 1.127 97 A HN 1.175 nan 8.150 nan 0.000 0.543 98 G N 0.759 109.558 108.800 -0.001 0.000 2.675 98 G HA2 0.073 4.047 3.960 0.023 0.000 0.686 98 G HA3 0.073 4.047 3.960 0.023 0.000 0.686 98 G C 0.670 175.567 174.900 -0.005 0.000 1.215 98 G CA 0.129 45.228 45.100 -0.002 0.000 0.777 98 G HN 1.745 nan 8.290 nan 0.000 0.638 99 S N -0.261 115.435 115.700 -0.006 0.000 2.474 99 S HA -0.015 4.469 4.470 0.023 0.000 0.235 99 S C 1.550 176.145 174.600 -0.009 0.000 0.997 99 S CA 1.470 59.665 58.200 -0.008 0.000 0.949 99 S CB 0.012 63.207 63.200 -0.009 0.000 0.766 99 S HN 0.757 nan 8.310 nan 0.000 0.517 100 R N 0.711 121.207 120.500 -0.007 0.000 2.577 100 R HA 0.326 4.680 4.340 0.023 0.000 0.344 100 R C 0.906 177.203 176.300 -0.005 0.000 1.037 100 R CA 0.124 56.220 56.100 -0.007 0.000 1.102 100 R CB 0.817 31.114 30.300 -0.006 0.000 1.313 100 R HN 0.434 nan 8.270 nan 0.000 0.561 101 G N 1.973 110.770 108.800 -0.005 0.000 2.537 101 G HA2 0.371 4.345 3.960 0.023 0.000 0.297 101 G HA3 0.371 4.345 3.960 0.023 0.000 0.297 101 G C -2.378 172.520 174.900 -0.003 0.000 1.310 101 G CA -1.030 44.068 45.100 -0.003 0.000 1.027 101 G HN -0.112 nan 8.290 nan 0.000 0.505 102 P HA 0.228 nan 4.420 nan 0.000 0.274 102 P C -0.237 177.063 177.300 0.000 0.000 1.231 102 P CA -0.102 62.999 63.100 0.000 0.000 0.790 102 P CB 0.842 32.544 31.700 0.003 0.000 0.951 103 T N 2.579 117.133 114.554 -0.001 0.000 2.884 103 T HA 0.271 4.634 4.350 0.023 0.000 0.298 103 T C 0.471 175.175 174.700 0.006 0.000 0.998 103 T CA -0.147 61.953 62.100 -0.001 0.000 1.124 103 T CB -0.055 68.810 68.868 -0.005 0.000 0.931 103 T HN 0.178 nan 8.240 nan 0.000 0.531 104 L N 3.766 124.994 121.223 0.008 0.000 2.334 104 L HA 0.291 4.645 4.340 0.023 0.000 0.277 104 L C 1.443 178.330 176.870 0.027 0.000 1.075 104 L CA -0.764 54.087 54.840 0.018 0.000 0.804 104 L CB 0.731 42.803 42.059 0.022 0.000 1.174 104 L HN 0.509 nan 8.230 nan 0.000 0.438 105 L N 2.484 123.727 121.223 0.033 0.000 2.131 105 L HA -0.195 4.159 4.340 0.023 0.000 0.210 105 L C 2.371 179.280 176.870 0.064 0.000 1.092 105 L CA 1.683 56.549 54.840 0.043 0.000 0.759 105 L CB -0.610 41.472 42.059 0.038 0.000 0.903 105 L HN 0.809 nan 8.230 nan 0.000 0.435 106 E N -1.439 118.804 120.200 0.070 0.000 2.478 106 E HA -0.189 4.175 4.350 0.023 0.000 0.198 106 E C 0.256 176.951 176.600 0.159 0.000 1.046 106 E CA 0.321 56.788 56.400 0.111 0.000 0.870 106 E CB -0.526 29.233 29.700 0.098 0.000 0.818 106 E HN 0.389 nan 8.360 nan 0.000 0.527 107 D N 1.200 121.651 120.400 0.085 0.000 2.441 107 D HA -0.058 4.595 4.640 0.023 0.000 0.243 107 D C 0.492 176.804 176.300 0.019 0.000 1.257 107 D CA -0.414 53.593 54.000 0.012 0.000 1.027 107 D CB -0.164 40.615 40.800 -0.034 0.000 1.084 107 D HN 0.294 nan 8.370 nan 0.000 0.514 108 F N 2.175 122.133 119.950 0.013 0.000 2.407 108 F HA 0.082 4.619 4.527 0.016 0.000 0.299 108 F C 1.615 177.426 175.800 0.019 0.000 1.097 108 F CA 0.117 58.128 58.000 0.018 0.000 1.422 108 F CB -0.624 38.386 39.000 0.016 0.000 1.067 108 F HN 0.189 nan 8.300 nan 0.000 0.539 109 I N 0.406 120.542 120.570 -0.724 0.000 2.193 109 I HA -0.201 3.983 4.170 0.023 0.000 0.240 109 I C 2.507 178.514 176.117 -0.184 0.000 1.084 109 I CA 1.052 62.074 61.300 -0.463 0.000 1.365 109 I CB -0.572 37.094 38.000 -0.556 0.000 1.064 109 I HN 0.263 nan 8.210 nan 0.000 0.410 110 L N 1.181 122.310 121.223 -0.156 0.000 1.990 110 L HA -0.253 4.101 4.340 0.023 0.000 0.213 110 L C 2.639 179.499 176.870 -0.018 0.000 1.072 110 L CA 1.960 56.755 54.840 -0.075 0.000 0.755 110 L CB -0.612 41.410 42.059 -0.062 0.000 0.889 110 L HN 0.083 nan 8.230 nan 0.000 0.432 111 R N -0.694 119.814 120.500 0.013 0.000 2.096 111 R HA -0.180 4.174 4.340 0.023 0.000 0.235 111 R C 2.329 178.685 176.300 0.093 0.000 1.127 111 R CA 1.579 57.718 56.100 0.064 0.000 0.968 111 R CB -0.424 29.928 30.300 0.087 0.000 0.861 111 R HN 0.617 nan 8.270 nan 0.000 0.440 112 E N 1.230 121.487 120.200 0.096 0.000 2.072 112 E HA -0.224 4.140 4.350 0.023 0.000 0.191 112 E C 1.948 178.620 176.600 0.120 0.000 0.985 112 E CA 1.159 57.631 56.400 0.121 0.000 0.801 112 E CB 0.108 29.883 29.700 0.125 0.000 0.750 112 E HN 0.151 nan 8.360 nan 0.000 0.452 113 K N 0.314 120.753 120.400 0.065 0.000 2.032 113 K HA -0.156 4.178 4.320 0.023 0.000 0.209 113 K C 2.138 178.805 176.600 0.112 0.000 1.048 113 K CA 1.526 57.849 56.287 0.061 0.000 0.927 113 K CB -0.064 32.431 32.500 -0.009 0.000 0.712 113 K HN 0.132 nan 8.250 nan 0.000 0.441 114 I N 1.352 121.975 120.570 0.088 0.000 2.252 114 I HA -0.189 3.995 4.170 0.023 0.000 0.245 114 I C 2.212 178.452 176.117 0.206 0.000 1.102 114 I CA 1.362 62.740 61.300 0.129 0.000 1.385 114 I CB -1.581 36.462 38.000 0.071 0.000 1.064 114 I HN 0.251 nan 8.210 nan 0.000 0.414 115 T N -0.145 114.521 114.554 0.186 0.000 2.684 115 T HA -0.242 4.121 4.350 0.023 0.000 0.267 115 T C 1.970 176.841 174.700 0.285 0.000 1.036 115 T CA 1.589 63.831 62.100 0.236 0.000 1.148 115 T CB -0.481 68.517 68.868 0.217 0.000 0.863 115 T HN 0.363 nan 8.240 nan 0.000 0.436 116 H N -0.221 118.954 119.070 0.174 0.000 2.353 116 H HA -0.079 4.490 4.556 0.022 0.000 0.300 116 H C 2.211 177.620 175.328 0.135 0.000 1.090 116 H CA 1.610 57.745 56.048 0.145 0.000 1.327 116 H CB -0.351 29.468 29.762 0.095 0.000 1.383 116 H HN 0.406 nan 8.280 nan 0.000 0.508 117 F N 2.030 122.047 119.950 0.112 0.000 2.102 117 F HA -0.178 4.360 4.527 0.018 0.000 0.298 117 F C 2.021 177.780 175.800 -0.069 0.000 1.105 117 F CA 1.645 59.660 58.000 0.025 0.000 1.239 117 F CB -0.392 38.617 39.000 0.014 0.000 0.991 117 F HN 0.034 nan 8.300 nan 0.000 0.474 118 D N -0.983 119.382 120.400 -0.058 0.000 2.221 118 D HA -0.165 4.489 4.640 0.023 0.000 0.204 118 D C 1.213 177.169 176.300 -0.573 0.000 0.982 118 D CA 1.294 55.085 54.000 -0.347 0.000 0.857 118 D CB -0.417 40.185 40.800 -0.330 0.000 0.934 118 D HN 0.500 nan 8.370 nan 0.000 0.475 119 H N -0.167 118.790 119.070 -0.188 0.000 2.472 119 H HA 0.222 4.788 4.556 0.017 0.000 0.287 119 H C 0.956 176.122 175.328 -0.269 0.000 1.112 119 H CA -0.081 55.851 56.048 -0.194 0.000 1.021 119 H CB 0.482 30.146 29.762 -0.164 0.000 1.635 119 H HN 0.281 nan 8.280 nan 0.000 0.559 120 E N 0.613 120.656 120.200 -0.262 0.000 2.152 120 E HA -0.031 4.333 4.350 0.023 0.000 0.192 120 E C 0.585 177.039 176.600 -0.243 0.000 0.983 120 E CA 0.449 56.664 56.400 -0.308 0.000 0.818 120 E CB 0.495 30.000 29.700 -0.325 0.000 0.758 120 E HN 0.204 nan 8.360 nan 0.000 0.467 121 R N 1.142 121.556 120.500 -0.143 0.000 2.531 121 R HA 0.382 4.736 4.340 0.023 0.000 0.273 121 R C 0.483 176.828 176.300 0.074 0.000 1.070 121 R CA -0.180 55.911 56.100 -0.015 0.000 1.112 121 R CB 0.697 30.976 30.300 -0.035 0.000 1.049 121 R HN 0.133 nan 8.270 nan 0.000 0.508 122 I N -1.592 119.078 120.570 0.166 0.000 2.934 122 I HA 0.550 4.734 4.170 0.023 0.000 0.306 122 I C -2.401 173.777 176.117 0.102 0.000 1.110 122 I CA -2.988 58.400 61.300 0.146 0.000 1.019 122 I CB 1.956 40.072 38.000 0.193 0.000 1.227 122 I HN 0.249 nan 8.210 nan 0.000 0.434 123 P HA 0.105 nan 4.420 nan 0.000 0.266 123 P C -0.947 176.379 177.300 0.042 0.000 1.195 123 P CA 0.011 63.136 63.100 0.042 0.000 0.768 123 P CB 0.389 32.103 31.700 0.024 0.000 0.838 124 E N 2.249 122.474 120.200 0.042 0.000 2.345 124 E HA 0.280 4.644 4.350 0.023 0.000 0.259 124 E C -0.475 176.144 176.600 0.032 0.000 1.117 124 E CA -0.976 55.453 56.400 0.048 0.000 0.913 124 E CB 0.706 30.441 29.700 0.059 0.000 1.057 124 E HN 0.232 nan 8.360 nan 0.000 0.432 125 R N 0.996 121.520 120.500 0.040 0.000 2.640 125 R HA 0.008 4.362 4.340 0.023 0.000 0.270 125 R C 1.301 177.626 176.300 0.042 0.000 1.024 125 R CA -0.315 55.804 56.100 0.032 0.000 1.085 125 R CB 0.268 30.606 30.300 0.063 0.000 0.963 125 R HN 0.592 nan 8.270 nan 0.000 0.426 126 I N 1.807 122.393 120.570 0.027 0.000 2.163 126 I HA -0.164 4.019 4.170 0.023 0.000 0.243 126 I C 1.208 177.371 176.117 0.076 0.000 1.085 126 I CA 1.685 63.011 61.300 0.043 0.000 1.347 126 I CB -0.831 37.194 38.000 0.042 0.000 1.044 126 I HN 0.401 nan 8.210 nan 0.000 0.408 127 V N -3.295 116.699 119.914 0.134 0.000 3.001 127 V HA 0.509 4.642 4.120 0.023 0.000 0.314 127 V C 0.346 176.607 176.094 0.278 0.000 1.099 127 V CA -0.814 61.598 62.300 0.187 0.000 0.989 127 V CB 1.823 33.835 31.823 0.315 0.000 1.040 127 V HN 0.437 nan 8.190 nan 0.000 0.434 128 H N 0.470 119.605 119.070 0.108 0.000 2.903 128 H HA -0.210 4.360 4.556 0.022 0.000 0.285 128 H C 1.522 176.898 175.328 0.080 0.000 1.231 128 H CA 0.731 56.838 56.048 0.099 0.000 1.135 128 H CB -1.231 28.584 29.762 0.088 0.000 1.328 128 H HN 1.167 nan 8.280 nan 0.000 0.388 129 A N 0.781 123.687 122.820 0.143 0.000 1.972 129 A HA -0.113 4.221 4.320 0.023 0.000 0.219 129 A C 1.684 179.353 177.584 0.142 0.000 1.169 129 A CA 1.411 53.520 52.037 0.120 0.000 0.635 129 A CB -0.082 18.968 19.000 0.083 0.000 0.810 129 A HN 0.280 nan 8.150 nan 0.000 0.446 130 R N 0.022 120.608 120.500 0.142 0.000 2.202 130 R HA 0.516 4.869 4.340 0.023 0.000 0.334 130 R C -0.109 176.316 176.300 0.208 0.000 1.036 130 R CA 0.758 56.962 56.100 0.174 0.000 0.878 130 R CB 0.394 30.783 30.300 0.147 0.000 1.067 130 R HN 0.341 nan 8.270 nan 0.000 0.457 131 G N 0.654 109.601 108.800 0.246 0.000 2.646 131 G HA2 0.517 4.490 3.960 0.023 0.000 0.291 131 G HA3 0.517 4.490 3.960 0.023 0.000 0.291 131 G C -1.604 173.468 174.900 0.287 0.000 1.445 131 G CA -0.582 44.638 45.100 0.200 0.000 0.814 131 G HN 0.480 nan 8.290 nan 0.000 0.495 132 S N -1.051 114.771 115.700 0.203 0.000 2.575 132 S HA 0.855 5.339 4.470 0.023 0.000 0.278 132 S C -0.155 174.489 174.600 0.073 0.000 1.139 132 S CA -0.036 58.348 58.200 0.307 0.000 0.954 132 S CB 1.600 65.089 63.200 0.483 0.000 1.054 132 S HN 1.529 nan 8.310 nan 0.000 0.483 133 A N 1.862 124.681 122.820 -0.001 0.000 2.479 133 A HA 1.050 5.384 4.320 0.023 0.000 0.296 133 A C -0.893 176.506 177.584 -0.308 0.000 1.121 133 A CA -0.677 51.137 52.037 -0.371 0.000 0.743 133 A CB 1.636 20.237 19.000 -0.665 0.000 1.323 133 A HN 1.342 nan 8.150 nan 0.000 0.415 134 A N 0.208 122.682 122.820 -0.577 0.000 2.612 134 A HA 0.705 5.039 4.320 0.023 0.000 0.293 134 A C -1.179 176.221 177.584 -0.307 0.000 1.075 134 A CA -0.660 51.207 52.037 -0.283 0.000 0.680 134 A CB 0.724 19.656 19.000 -0.114 0.000 1.279 134 A HN 0.875 nan 8.150 nan 0.000 0.411 135 H N -0.287 118.812 119.070 0.049 0.000 2.482 135 H HA 0.685 5.254 4.556 0.022 0.000 0.344 135 H C 0.592 175.928 175.328 0.013 0.000 1.151 135 H CA 0.832 56.961 56.048 0.136 0.000 1.300 135 H CB 1.837 31.681 29.762 0.136 0.000 1.494 135 H HN 1.149 nan 8.280 nan 0.000 0.542 136 G N 0.740 109.645 108.800 0.176 0.000 2.578 136 G HA2 0.378 4.352 3.960 0.023 0.000 0.302 136 G HA3 0.378 4.352 3.960 0.023 0.000 0.302 136 G C -2.053 172.987 174.900 0.234 0.000 1.243 136 G CA -0.672 44.491 45.100 0.105 0.000 0.843 136 G HN 0.629 nan 8.290 nan 0.000 0.486 137 Y N -1.902 118.439 120.300 0.068 0.000 2.609 137 Y HA 0.831 5.394 4.550 0.022 0.000 0.336 137 Y C -1.838 174.202 175.900 0.235 0.000 1.129 137 Y CA -1.931 56.255 58.100 0.143 0.000 1.040 137 Y CB 1.848 40.366 38.460 0.097 0.000 1.310 137 Y HN 0.813 nan 8.280 nan 0.000 0.460 138 F N 2.204 122.293 119.950 0.231 0.000 2.563 138 F HA 0.697 5.238 4.527 0.023 0.000 0.316 138 F C -1.246 174.750 175.800 0.325 0.000 1.076 138 F CA -0.589 57.551 58.000 0.234 0.000 0.921 138 F CB 2.383 41.650 39.000 0.445 0.000 1.209 138 F HN 0.793 nan 8.300 nan 0.000 0.462 139 Q N 7.093 126.420 119.800 -0.789 0.000 2.268 139 Q HA 0.460 4.814 4.340 0.023 0.000 0.266 139 Q C -2.996 172.384 176.000 -1.032 0.000 1.006 139 Q CA -2.284 53.166 55.803 -0.588 0.000 0.824 139 Q CB 2.991 31.661 28.738 -0.113 0.000 1.306 139 Q HN 0.349 nan 8.270 nan 0.000 0.424 140 P HA 0.048 nan 4.420 nan 0.000 0.277 140 P C -0.460 176.687 177.300 -0.255 0.000 1.240 140 P CA 0.094 62.926 63.100 -0.447 0.000 0.798 140 P CB 0.603 32.224 31.700 -0.132 0.000 0.979 141 Y N 1.230 121.465 120.300 -0.109 0.000 2.263 141 Y HA -0.075 4.489 4.550 0.023 0.000 0.292 141 Y C 1.443 177.314 175.900 -0.049 0.000 1.130 141 Y CA 0.595 58.655 58.100 -0.067 0.000 1.179 141 Y CB 0.131 38.560 38.460 -0.052 0.000 0.998 141 Y HN 0.380 nan 8.280 nan 0.000 0.532 142 K N -1.411 119.042 120.400 0.088 0.000 2.555 142 K HA 0.407 4.741 4.320 0.023 0.000 0.279 142 K C -0.903 175.697 176.600 0.001 0.000 0.986 142 K CA -0.937 55.376 56.287 0.043 0.000 0.880 142 K CB 1.455 33.982 32.500 0.046 0.000 1.474 142 K HN -0.270 nan 8.250 nan 0.000 0.433 143 S N 0.566 116.265 115.700 -0.002 0.000 2.552 143 S HA 0.130 4.613 4.470 0.023 0.000 0.289 143 S C 0.390 174.976 174.600 -0.024 0.000 1.304 143 S CA -0.516 57.674 58.200 -0.017 0.000 1.063 143 S CB -0.134 63.060 63.200 -0.010 0.000 0.848 143 S HN 0.548 nan 8.310 nan 0.000 0.499 144 L N 4.433 125.630 121.223 -0.042 0.000 2.910 144 L HA 0.162 4.516 4.340 0.023 0.000 0.252 144 L C 1.823 178.673 176.870 -0.032 0.000 1.195 144 L CA -0.150 54.673 54.840 -0.029 0.000 1.003 144 L CB -0.119 41.927 42.059 -0.023 0.000 1.328 144 L HN 0.607 nan 8.230 nan 0.000 0.540 145 S N 0.287 115.966 115.700 -0.036 0.000 2.407 145 S HA -0.203 4.280 4.470 0.023 0.000 0.235 145 S C 1.366 175.946 174.600 -0.033 0.000 1.036 145 S CA 1.500 59.678 58.200 -0.037 0.000 1.013 145 S CB -0.112 63.072 63.200 -0.026 0.000 0.820 145 S HN 0.494 nan 8.310 nan 0.000 0.476 146 D N 1.355 121.741 120.400 -0.024 0.000 2.178 146 D HA -0.061 4.592 4.640 0.023 0.000 0.201 146 D C 1.779 178.058 176.300 -0.034 0.000 0.980 146 D CA 1.076 55.061 54.000 -0.024 0.000 0.842 146 D CB -0.163 40.629 40.800 -0.014 0.000 0.948 146 D HN 0.633 nan 8.370 nan 0.000 0.472 147 I N -3.777 116.774 120.570 -0.032 0.000 4.035 147 I HA 0.197 4.381 4.170 0.023 0.000 0.321 147 I C 0.469 176.539 176.117 -0.079 0.000 1.289 147 I CA 0.102 61.373 61.300 -0.048 0.000 1.236 147 I CB 0.988 38.978 38.000 -0.016 0.000 1.076 147 I HN -0.238 nan 8.210 nan 0.000 0.418 148 T N 1.704 116.213 114.554 -0.074 0.000 2.982 148 T HA 0.315 4.679 4.350 0.023 0.000 0.321 148 T C -0.091 174.552 174.700 -0.095 0.000 1.229 148 T CA -0.720 61.318 62.100 -0.103 0.000 1.044 148 T CB 1.785 70.584 68.868 -0.115 0.000 1.184 148 T HN 0.441 nan 8.240 nan 0.000 0.477 149 K N 2.542 122.884 120.400 -0.096 0.000 2.410 149 K HA 0.600 4.934 4.320 0.023 0.000 0.200 149 K C 0.699 177.259 176.600 -0.066 0.000 1.023 149 K CA -0.372 55.871 56.287 -0.072 0.000 1.149 149 K CB 0.315 32.776 32.500 -0.063 0.000 0.859 149 K HN 0.491 nan 8.250 nan 0.000 0.514 150 A N 2.044 124.804 122.820 -0.101 0.000 2.545 150 A HA -0.051 4.283 4.320 0.023 0.000 0.253 150 A C 0.558 178.108 177.584 -0.057 0.000 1.074 150 A CA 0.041 52.030 52.037 -0.080 0.000 0.760 150 A CB 0.028 18.927 19.000 -0.169 0.000 1.005 150 A HN 0.449 nan 8.150 nan 0.000 0.506 151 D N 2.250 122.684 120.400 0.057 0.000 2.149 151 D HA -0.244 4.410 4.640 0.023 0.000 0.198 151 D C 1.360 177.739 176.300 0.132 0.000 0.990 151 D CA 2.364 56.415 54.000 0.085 0.000 0.839 151 D CB -0.255 40.615 40.800 0.117 0.000 0.948 151 D HN 0.751 nan 8.370 nan 0.000 0.460 152 F N -1.024 118.939 119.950 0.021 0.000 2.641 152 F HA 0.159 4.701 4.527 0.023 0.000 0.298 152 F C 1.209 177.087 175.800 0.131 0.000 1.146 152 F CA 0.283 58.337 58.000 0.091 0.000 1.464 152 F CB -0.190 38.866 39.000 0.093 0.000 1.101 152 F HN -0.055 nan 8.300 nan 0.000 0.585 153 L N 0.659 121.583 121.223 -0.498 0.000 2.808 153 L HA 0.159 4.512 4.340 0.023 0.000 0.246 153 L C 1.960 178.735 176.870 -0.158 0.000 1.153 153 L CA 0.380 54.984 54.840 -0.392 0.000 0.956 153 L CB 0.004 41.698 42.059 -0.608 0.000 1.270 153 L HN 0.316 nan 8.230 nan 0.000 0.528 154 S N -2.358 113.291 115.700 -0.085 0.000 2.528 154 S HA 0.034 4.517 4.470 0.023 0.000 0.219 154 S C 0.357 174.950 174.600 -0.012 0.000 0.985 154 S CA -0.089 58.086 58.200 -0.041 0.000 0.914 154 S CB 0.108 63.297 63.200 -0.019 0.000 0.776 154 S HN 0.344 nan 8.310 nan 0.000 0.526 155 D N 0.567 120.969 120.400 0.004 0.000 2.937 155 D HA 0.318 4.972 4.640 0.023 0.000 0.215 155 D C -2.622 173.690 176.300 0.020 0.000 1.274 155 D CA -1.826 52.183 54.000 0.016 0.000 0.869 155 D CB 2.116 42.933 40.800 0.028 0.000 1.675 155 D HN -0.174 nan 8.370 nan 0.000 0.538 156 P HA -0.020 nan 4.420 nan 0.000 0.228 156 P C 0.360 177.675 177.300 0.025 0.000 1.151 156 P CA 0.547 63.655 63.100 0.013 0.000 0.770 156 P CB 0.429 32.149 31.700 0.033 0.000 0.786 157 N N -0.406 118.314 118.700 0.033 0.000 2.280 157 N HA 0.020 4.774 4.740 0.023 0.000 0.192 157 N C 0.550 176.091 175.510 0.053 0.000 1.109 157 N CA 0.127 53.200 53.050 0.038 0.000 0.855 157 N CB 0.366 38.871 38.487 0.030 0.000 0.974 157 N HN 0.252 nan 8.380 nan 0.000 0.482 158 K N 1.867 122.308 120.400 0.069 0.000 2.284 158 K HA 0.202 4.535 4.320 0.023 0.000 0.287 158 K C -0.539 176.155 176.600 0.156 0.000 1.081 158 K CA -0.266 56.085 56.287 0.107 0.000 0.910 158 K CB 0.470 33.044 32.500 0.123 0.000 1.088 158 K HN -0.137 nan 8.250 nan 0.000 0.478 159 I N 3.996 124.661 120.570 0.158 0.000 2.331 159 I HA 0.154 4.338 4.170 0.023 0.000 0.292 159 I C 0.075 176.364 176.117 0.287 0.000 0.998 159 I CA -0.388 61.040 61.300 0.214 0.000 1.267 159 I CB 1.408 39.482 38.000 0.123 0.000 1.386 159 I HN 0.540 nan 8.210 nan 0.000 0.476 160 T N 7.924 122.737 114.554 0.432 0.000 2.770 160 T HA 0.381 4.745 4.350 0.023 0.000 0.283 160 T C -2.467 172.497 174.700 0.439 0.000 0.988 160 T CA -1.386 60.985 62.100 0.452 0.000 0.957 160 T CB 1.674 70.899 68.868 0.595 0.000 0.930 160 T HN 0.282 nan 8.240 nan 0.000 0.443 161 P HA 0.276 nan 4.420 nan 0.000 0.269 161 P C -0.577 176.969 177.300 0.410 0.000 1.209 161 P CA -0.426 62.877 63.100 0.338 0.000 0.776 161 P CB 0.554 32.380 31.700 0.210 0.000 0.876 162 V N -0.131 119.967 119.914 0.307 0.000 3.141 162 V HA 0.747 4.881 4.120 0.023 0.000 0.312 162 V C -1.301 174.957 176.094 0.272 0.000 1.157 162 V CA -0.979 61.401 62.300 0.133 0.000 1.041 162 V CB 2.260 33.939 31.823 -0.240 0.000 1.071 162 V HN 0.340 nan 8.190 nan 0.000 0.441 163 F N 1.446 121.376 119.950 -0.034 0.000 2.562 163 F HA 0.842 5.383 4.527 0.023 0.000 0.319 163 F C -0.987 174.722 175.800 -0.152 0.000 1.154 163 F CA -0.667 57.264 58.000 -0.114 0.000 0.931 163 F CB 1.905 40.854 39.000 -0.085 0.000 1.198 163 F HN 0.523 nan 8.300 nan 0.000 0.444 164 V N 6.400 125.868 119.914 -0.743 0.000 2.680 164 V HA 0.623 4.757 4.120 0.023 0.000 0.309 164 V C -0.781 174.674 176.094 -1.064 0.000 1.052 164 V CA -0.882 60.916 62.300 -0.838 0.000 0.908 164 V CB 2.096 33.351 31.823 -0.947 0.000 1.001 164 V HN 0.759 nan 8.190 nan 0.000 0.431 165 R N 2.936 122.790 120.500 -1.077 0.000 2.561 165 R HA 0.639 4.993 4.340 0.023 0.000 0.297 165 R C -1.814 173.892 176.300 -0.991 0.000 0.969 165 R CA -0.435 55.148 56.100 -0.862 0.000 0.879 165 R CB 1.386 31.395 30.300 -0.485 0.000 1.178 165 R HN 0.543 nan 8.270 nan 0.000 0.445 166 F N 1.755 121.311 119.950 -0.656 0.000 2.432 166 F HA 0.575 5.116 4.527 0.023 0.000 0.329 166 F C 0.398 175.854 175.800 -0.574 0.000 1.076 166 F CA -0.251 57.223 58.000 -0.877 0.000 1.018 166 F CB 2.234 40.181 39.000 -1.755 0.000 1.201 166 F HN 0.646 nan 8.300 nan 0.000 0.489 167 S N -1.232 114.402 115.700 -0.110 0.000 2.615 167 S HA 0.647 5.131 4.470 0.023 0.000 0.269 167 S C -0.646 174.088 174.600 0.223 0.000 1.161 167 S CA -0.950 57.325 58.200 0.125 0.000 0.817 167 S CB 1.348 64.684 63.200 0.228 0.000 1.131 167 S HN 0.712 nan 8.310 nan 0.000 0.467 168 T N -1.534 113.140 114.554 0.200 0.000 2.867 168 T HA 0.688 5.052 4.350 0.023 0.000 0.286 168 T C 0.864 175.507 174.700 -0.095 0.000 1.022 168 T CA -0.287 61.890 62.100 0.128 0.000 0.933 168 T CB 0.434 69.384 68.868 0.137 0.000 1.280 168 T HN 0.514 nan 8.240 nan 0.000 0.566 169 V N 0.188 120.021 119.914 -0.135 0.000 2.735 169 V HA 0.077 4.211 4.120 0.023 0.000 0.234 169 V C 2.800 178.809 176.094 -0.142 0.000 1.121 169 V CA 0.552 62.662 62.300 -0.317 0.000 1.160 169 V CB -0.505 31.250 31.823 -0.113 0.000 0.908 169 V HN 0.904 nan 8.190 nan 0.000 0.495 170 Q N 1.066 120.820 119.800 -0.077 0.000 2.096 170 Q HA 0.051 4.404 4.340 0.023 0.000 0.197 170 Q C 1.292 177.264 176.000 -0.048 0.000 0.964 170 Q CA 1.231 56.989 55.803 -0.076 0.000 0.838 170 Q CB -0.384 28.289 28.738 -0.108 0.000 0.906 170 Q HN 0.583 nan 8.270 nan 0.000 0.444 171 G N 0.325 109.110 108.800 -0.026 0.000 2.554 171 G HA2 0.307 4.280 3.960 0.023 0.000 0.238 171 G HA3 0.307 4.280 3.960 0.023 0.000 0.238 171 G C 0.278 175.182 174.900 0.008 0.000 1.259 171 G CA 0.132 45.225 45.100 -0.011 0.000 0.843 171 G HN 0.352 nan 8.290 nan 0.000 0.582 172 G N -0.493 108.308 108.800 0.001 0.000 2.683 172 G HA2 0.464 4.438 3.960 0.023 0.000 0.260 172 G HA3 0.464 4.438 3.960 0.023 0.000 0.260 172 G C 1.353 176.280 174.900 0.045 0.000 1.238 172 G CA 0.406 45.516 45.100 0.017 0.000 0.934 172 G HN 1.122 nan 8.290 nan 0.000 0.534 173 A N -0.919 121.937 122.820 0.060 0.000 2.067 173 A HA 0.171 4.505 4.320 0.023 0.000 0.219 173 A C 2.256 179.880 177.584 0.067 0.000 1.158 173 A CA 1.898 53.991 52.037 0.093 0.000 0.661 173 A CB -0.333 18.737 19.000 0.117 0.000 0.801 173 A HN 1.071 nan 8.150 nan 0.000 0.452 174 G N -0.162 108.658 108.800 0.034 0.000 3.189 174 G HA2 0.303 4.277 3.960 0.023 0.000 0.225 174 G HA3 0.303 4.277 3.960 0.023 0.000 0.225 174 G C 0.797 175.698 174.900 0.003 0.000 1.159 174 G CA 0.670 45.776 45.100 0.009 0.000 0.763 174 G HN 0.650 nan 8.290 nan 0.000 0.549 175 S N -0.102 115.606 115.700 0.015 0.000 2.641 175 S HA 0.708 5.191 4.470 0.023 0.000 0.261 175 S C 0.431 175.043 174.600 0.021 0.000 1.257 175 S CA -0.049 58.156 58.200 0.008 0.000 0.983 175 S CB 1.474 64.680 63.200 0.009 0.000 0.990 175 S HN 0.560 nan 8.310 nan 0.000 0.572 176 A N 0.115 122.943 122.820 0.014 0.000 2.293 176 A HA 0.451 4.785 4.320 0.023 0.000 0.302 176 A C 0.653 178.260 177.584 0.038 0.000 1.119 176 A CA -0.646 51.397 52.037 0.009 0.000 0.823 176 A CB 0.024 19.010 19.000 -0.023 0.000 1.097 176 A HN 0.850 nan 8.150 nan 0.000 0.491 177 D N 0.765 121.179 120.400 0.024 0.000 2.084 177 D HA -0.095 4.559 4.640 0.023 0.000 0.196 177 D C 1.717 178.009 176.300 -0.012 0.000 0.985 177 D CA 2.354 56.383 54.000 0.049 0.000 0.826 177 D CB -0.294 40.484 40.800 -0.036 0.000 0.978 177 D HN 0.689 nan 8.370 nan 0.000 0.456 178 T N -0.240 114.221 114.554 -0.155 0.000 3.406 178 T HA 0.249 4.613 4.350 0.023 0.000 0.244 178 T C 0.859 175.556 174.700 -0.005 0.000 0.949 178 T CA -0.518 61.494 62.100 -0.146 0.000 0.926 178 T CB -1.035 67.668 68.868 -0.275 0.000 1.089 178 T HN -0.062 nan 8.240 nan 0.000 0.604 179 V N -1.371 118.589 119.914 0.076 0.000 3.264 179 V HA 0.469 4.602 4.120 0.023 0.000 0.304 179 V C 0.704 176.941 176.094 0.237 0.000 1.086 179 V CA -1.559 60.828 62.300 0.146 0.000 1.090 179 V CB 0.515 32.413 31.823 0.124 0.000 1.112 179 V HN 0.531 nan 8.190 nan 0.000 0.472 180 R N 1.398 122.093 120.500 0.326 0.000 2.298 180 R HA 0.581 4.935 4.340 0.023 0.000 0.310 180 R C -0.257 176.140 176.300 0.162 0.000 1.068 180 R CA 0.651 56.907 56.100 0.260 0.000 0.957 180 R CB 0.564 30.962 30.300 0.163 0.000 1.003 180 R HN 1.190 nan 8.270 nan 0.000 0.454 181 S N 4.440 120.243 115.700 0.171 0.000 2.683 181 S HA 0.230 4.714 4.470 0.023 0.000 0.278 181 S C -0.914 173.806 174.600 0.201 0.000 1.059 181 S CA -0.970 57.323 58.200 0.155 0.000 0.847 181 S CB 0.570 63.849 63.200 0.132 0.000 1.078 181 S HN 0.424 nan 8.310 nan 0.000 0.456 182 I N 2.904 123.607 120.570 0.222 0.000 2.938 182 I HA 0.369 4.553 4.170 0.023 0.000 0.285 182 I C 0.786 177.047 176.117 0.240 0.000 1.182 182 I CA 0.068 61.503 61.300 0.225 0.000 1.388 182 I CB 0.223 38.376 38.000 0.256 0.000 1.390 182 I HN 0.601 nan 8.210 nan 0.000 0.600 183 R N 2.828 123.489 120.500 0.268 0.000 2.589 183 R HA 0.552 4.905 4.340 0.023 0.000 0.293 183 R C -0.032 176.464 176.300 0.327 0.000 0.963 183 R CA -0.751 55.523 56.100 0.290 0.000 0.905 183 R CB 1.336 31.824 30.300 0.313 0.000 1.144 183 R HN 0.794 nan 8.270 nan 0.000 0.459 184 G N 0.776 109.789 108.800 0.355 0.000 2.448 184 G HA2 0.467 4.441 3.960 0.023 0.000 0.285 184 G HA3 0.467 4.441 3.960 0.023 0.000 0.285 184 G C -1.232 173.755 174.900 0.146 0.000 1.176 184 G CA -0.069 45.218 45.100 0.312 0.000 0.852 184 G HN 0.374 nan 8.290 nan 0.000 0.530 185 F N 1.654 121.515 119.950 -0.148 0.000 3.094 185 F HA 0.611 5.152 4.527 0.023 0.000 0.385 185 F C -0.171 175.356 175.800 -0.455 0.000 1.231 185 F CA -1.719 56.105 58.000 -0.294 0.000 1.207 185 F CB 0.832 39.773 39.000 -0.099 0.000 1.703 185 F HN 0.662 nan 8.300 nan 0.000 0.610 186 A N 2.976 125.534 122.820 -0.437 0.000 2.288 186 A HA 0.780 5.113 4.320 0.023 0.000 0.320 186 A C -0.493 176.616 177.584 -0.792 0.000 1.217 186 A CA -0.408 51.194 52.037 -0.725 0.000 0.840 186 A CB 0.745 18.927 19.000 -1.362 0.000 1.179 186 A HN 0.492 nan 8.150 nan 0.000 0.504 187 T N 2.394 116.670 114.554 -0.463 0.000 2.809 187 T HA 0.387 4.751 4.350 0.023 0.000 0.284 187 T C -0.329 174.191 174.700 -0.300 0.000 0.992 187 T CA -0.448 61.403 62.100 -0.414 0.000 0.957 187 T CB 1.019 69.608 68.868 -0.465 0.000 0.942 187 T HN 0.625 nan 8.240 nan 0.000 0.439 188 K N 3.503 123.795 120.400 -0.181 0.000 2.281 188 K HA 0.460 4.794 4.320 0.023 0.000 0.272 188 K C -1.304 174.959 176.600 -0.562 0.000 1.048 188 K CA -0.589 55.508 56.287 -0.317 0.000 0.898 188 K CB 0.341 32.598 32.500 -0.404 0.000 1.128 188 K HN 0.392 nan 8.250 nan 0.000 0.460 189 F N 4.199 123.846 119.950 -0.505 0.000 2.404 189 F HA 0.254 4.795 4.527 0.023 0.000 0.354 189 F C -0.461 175.130 175.800 -0.348 0.000 1.122 189 F CA -0.632 57.139 58.000 -0.382 0.000 1.080 189 F CB 0.777 39.478 39.000 -0.498 0.000 1.131 189 F HN 0.429 nan 8.300 nan 0.000 0.471 190 Y N 1.754 122.112 120.300 0.096 0.000 2.714 190 Y HA 0.241 4.804 4.550 0.022 0.000 0.333 190 Y C 0.969 176.917 175.900 0.080 0.000 1.220 190 Y CA -0.864 57.270 58.100 0.057 0.000 1.513 190 Y CB -0.016 38.470 38.460 0.043 0.000 1.435 190 Y HN 0.553 nan 8.280 nan 0.000 0.489 191 T N -2.102 112.538 114.554 0.144 0.000 2.847 191 T HA 0.174 4.538 4.350 0.023 0.000 0.279 191 T C 0.987 175.769 174.700 0.137 0.000 0.984 191 T CA -0.672 61.513 62.100 0.142 0.000 0.988 191 T CB 1.068 69.988 68.868 0.087 0.000 1.040 191 T HN 0.660 nan 8.240 nan 0.000 0.528 192 E N 0.097 120.383 120.200 0.143 0.000 2.418 192 E HA -0.030 4.334 4.350 0.023 0.000 0.197 192 E C 1.045 177.704 176.600 0.098 0.000 1.026 192 E CA 0.665 57.134 56.400 0.114 0.000 0.862 192 E CB 0.137 29.902 29.700 0.109 0.000 0.799 192 E HN 0.735 nan 8.360 nan 0.000 0.518 193 E N 0.171 120.430 120.200 0.098 0.000 2.651 193 E HA 0.253 4.617 4.350 0.023 0.000 0.208 193 E C 0.056 176.694 176.600 0.063 0.000 0.997 193 E CA -0.260 56.190 56.400 0.083 0.000 1.020 193 E CB 1.289 31.042 29.700 0.088 0.000 1.052 193 E HN 0.185 nan 8.360 nan 0.000 0.465 194 G N 0.988 109.819 108.800 0.052 0.000 2.362 194 G HA2 -0.085 3.889 3.960 0.023 0.000 0.656 194 G HA3 -0.085 3.889 3.960 0.023 0.000 0.656 194 G C -1.046 173.849 174.900 -0.008 0.000 1.376 194 G CA -1.135 43.971 45.100 0.010 0.000 0.971 194 G HN -0.015 nan 8.290 nan 0.000 0.636 195 I N 0.632 121.160 120.570 -0.070 0.000 2.588 195 I HA 0.491 4.675 4.170 0.023 0.000 0.283 195 I C 0.243 176.344 176.117 -0.026 0.000 1.119 195 I CA -0.668 60.566 61.300 -0.110 0.000 1.419 195 I CB 0.767 38.634 38.000 -0.221 0.000 1.394 195 I HN 0.503 nan 8.210 nan 0.000 0.562 196 F N 6.349 126.178 119.950 -0.203 0.000 2.477 196 F HA 0.474 5.015 4.527 0.023 0.000 0.335 196 F C -0.747 175.007 175.800 -0.078 0.000 1.130 196 F CA -1.122 56.755 58.000 -0.206 0.000 0.948 196 F CB 0.872 39.602 39.000 -0.450 0.000 1.154 196 F HN 0.365 nan 8.300 nan 0.000 0.439 197 D N 6.354 126.506 120.400 -0.414 0.000 2.217 197 D HA 0.304 4.958 4.640 0.023 0.000 0.243 197 D C -1.083 174.738 176.300 -0.798 0.000 1.054 197 D CA -0.133 53.600 54.000 -0.445 0.000 0.838 197 D CB 2.376 43.136 40.800 -0.066 0.000 1.162 197 D HN 0.538 nan 8.370 nan 0.000 0.472 198 L N 3.517 124.303 121.223 -0.729 0.000 2.313 198 L HA 0.271 4.625 4.340 0.023 0.000 0.273 198 L C -1.110 175.576 176.870 -0.305 0.000 1.028 198 L CA -0.694 53.789 54.840 -0.595 0.000 0.871 198 L CB 1.123 42.871 42.059 -0.519 0.000 1.242 198 L HN 0.087 nan 8.230 nan 0.000 0.434 199 V N 5.944 125.721 119.914 -0.229 0.000 2.258 199 V HA 0.692 4.826 4.120 0.023 0.000 0.258 199 V C 0.919 176.949 176.094 -0.107 0.000 1.121 199 V CA 0.113 62.290 62.300 -0.205 0.000 0.942 199 V CB -0.130 31.556 31.823 -0.230 0.000 1.170 199 V HN 0.844 nan 8.190 nan 0.000 0.487 200 G N 3.186 111.933 108.800 -0.088 0.000 3.075 200 G HA2 0.627 4.600 3.960 0.023 0.000 0.253 200 G HA3 0.627 4.600 3.960 0.023 0.000 0.253 200 G C -0.786 174.149 174.900 0.058 0.000 1.353 200 G CA -0.599 44.495 45.100 -0.011 0.000 1.051 200 G HN 0.466 nan 8.290 nan 0.000 0.553 201 N N -0.974 117.803 118.700 0.130 0.000 3.091 201 N HA 0.251 5.005 4.740 0.023 0.000 0.329 201 N C 0.378 176.068 175.510 0.299 0.000 1.430 201 N CA -0.685 52.500 53.050 0.224 0.000 0.755 201 N CB 1.186 39.800 38.487 0.213 0.000 1.626 201 N HN 0.525 nan 8.380 nan 0.000 0.614 202 N N -1.284 117.607 118.700 0.319 0.000 2.230 202 N HA 0.009 4.763 4.740 0.023 0.000 0.202 202 N C -0.607 175.154 175.510 0.419 0.000 1.119 202 N CA -0.087 53.200 53.050 0.396 0.000 0.851 202 N CB -0.072 38.630 38.487 0.358 0.000 0.990 202 N HN 0.523 nan 8.380 nan 0.000 0.497 203 T N -3.352 111.276 114.554 0.123 0.000 2.900 203 T HA 0.450 4.813 4.350 0.023 0.000 0.295 203 T C -2.632 171.463 174.700 -1.007 0.000 1.044 203 T CA -1.587 60.167 62.100 -0.577 0.000 0.995 203 T CB 2.980 71.415 68.868 -0.722 0.000 1.072 203 T HN -0.258 nan 8.240 nan 0.000 0.473 204 P HA 0.183 nan 4.420 nan 0.000 0.245 204 P C 0.402 177.156 177.300 -0.909 0.000 1.212 204 P CA 0.127 62.272 63.100 -1.592 0.000 0.774 204 P CB -0.107 30.618 31.700 -1.626 0.000 0.999 205 I N -4.769 115.260 120.570 -0.902 0.000 3.174 205 I HA 0.536 4.719 4.170 0.023 0.000 0.313 205 I C -1.264 174.571 176.117 -0.469 0.000 1.155 205 I CA -1.955 58.972 61.300 -0.621 0.000 0.977 205 I CB 1.422 39.027 38.000 -0.658 0.000 1.248 205 I HN -0.251 nan 8.210 nan 0.000 0.453 206 F N 0.660 120.327 119.950 -0.472 0.000 2.572 206 F HA 0.513 5.053 4.527 0.023 0.000 0.342 206 F C 0.474 176.038 175.800 -0.393 0.000 1.064 206 F CA -0.685 57.076 58.000 -0.398 0.000 1.008 206 F CB 1.827 40.714 39.000 -0.188 0.000 1.303 206 F HN 0.396 nan 8.300 nan 0.000 0.492 207 F N 1.758 121.048 119.950 -1.100 0.000 2.206 207 F HA 0.055 4.596 4.527 0.023 0.000 0.298 207 F C 0.625 176.175 175.800 -0.417 0.000 1.090 207 F CA 0.769 58.269 58.000 -0.834 0.000 1.323 207 F CB -0.084 38.019 39.000 -1.495 0.000 1.028 207 F HN 0.119 nan 8.300 nan 0.000 0.492 208 I N -3.137 117.427 120.570 -0.011 0.000 2.846 208 I HA 0.378 4.562 4.170 0.023 0.000 0.307 208 I C 0.362 176.620 176.117 0.234 0.000 1.053 208 I CA -0.816 60.572 61.300 0.147 0.000 1.050 208 I CB 1.858 39.991 38.000 0.221 0.000 1.239 208 I HN -0.124 nan 8.210 nan 0.000 0.439 209 Q N 0.462 120.399 119.800 0.229 0.000 2.259 209 Q HA 0.123 4.477 4.340 0.023 0.000 0.201 209 Q C -0.214 175.947 176.000 0.269 0.000 0.938 209 Q CA 0.610 56.586 55.803 0.290 0.000 0.872 209 Q CB 0.379 29.361 28.738 0.408 0.000 0.971 209 Q HN 0.693 nan 8.270 nan 0.000 0.494 210 D N -1.045 119.484 120.400 0.215 0.000 2.350 210 D HA 0.314 4.968 4.640 0.023 0.000 0.245 210 D C 0.006 176.421 176.300 0.193 0.000 1.036 210 D CA -0.269 53.829 54.000 0.163 0.000 0.848 210 D CB 1.824 42.689 40.800 0.108 0.000 1.307 210 D HN 0.042 nan 8.370 nan 0.000 0.469 211 A N 3.123 126.029 122.820 0.144 0.000 2.070 211 A HA -0.211 4.123 4.320 0.023 0.000 0.220 211 A C 1.784 179.478 177.584 0.183 0.000 1.159 211 A CA 1.543 53.660 52.037 0.134 0.000 0.656 211 A CB -0.780 18.247 19.000 0.045 0.000 0.800 211 A HN 0.811 nan 8.150 nan 0.000 0.453 212 H N 0.088 119.210 119.070 0.087 0.000 2.457 212 H HA -0.023 4.547 4.556 0.023 0.000 0.297 212 H C 1.272 176.673 175.328 0.121 0.000 1.092 212 H CA 1.680 57.774 56.048 0.078 0.000 1.309 212 H CB 0.220 30.005 29.762 0.038 0.000 1.382 212 H HN 0.234 nan 8.280 nan 0.000 0.535 213 K N -0.275 120.251 120.400 0.209 0.000 2.404 213 K HA -0.039 4.295 4.320 0.023 0.000 0.194 213 K C 1.440 178.184 176.600 0.239 0.000 1.023 213 K CA -0.011 56.404 56.287 0.213 0.000 1.094 213 K CB -0.263 32.418 32.500 0.301 0.000 0.841 213 K HN 0.335 nan 8.250 nan 0.000 0.523 214 F N 3.089 123.094 119.950 0.092 0.000 2.095 214 F HA -0.141 4.399 4.527 0.022 0.000 0.298 214 F C -0.888 174.926 175.800 0.024 0.000 1.104 214 F CA 1.430 59.506 58.000 0.126 0.000 1.232 214 F CB -0.499 38.566 39.000 0.109 0.000 0.987 214 F HN 0.054 nan 8.300 nan 0.000 0.475 215 P HA -0.142 nan 4.420 nan 0.000 0.217 215 P C 0.990 177.985 177.300 -0.508 0.000 1.150 215 P CA 1.755 64.633 63.100 -0.370 0.000 0.832 215 P CB -0.076 31.419 31.700 -0.341 0.000 0.787 216 D N -1.252 118.996 120.400 -0.253 0.000 2.097 216 D HA -0.140 4.514 4.640 0.023 0.000 0.197 216 D C 1.829 177.865 176.300 -0.439 0.000 0.984 216 D CA 0.985 54.875 54.000 -0.184 0.000 0.826 216 D CB -0.817 40.047 40.800 0.107 0.000 0.973 216 D HN 0.158 nan 8.370 nan 0.000 0.460 217 F N 1.814 121.372 119.950 -0.653 0.000 2.102 217 F HA -0.206 4.334 4.527 0.023 0.000 0.298 217 F C 2.212 177.626 175.800 -0.642 0.000 1.105 217 F CA 1.071 58.475 58.000 -0.994 0.000 1.239 217 F CB -0.152 38.495 39.000 -0.588 0.000 0.991 217 F HN -0.255 nan 8.300 nan 0.000 0.474 218 V N 0.266 119.793 119.914 -0.645 0.000 2.358 218 V HA -0.322 3.812 4.120 0.023 0.000 0.246 218 V C 2.260 178.143 176.094 -0.352 0.000 1.047 218 V CA 2.400 64.341 62.300 -0.599 0.000 1.035 218 V CB -1.041 30.436 31.823 -0.577 0.000 0.658 218 V HN 0.471 nan 8.190 nan 0.000 0.452 219 H N -0.297 118.556 119.070 -0.362 0.000 2.387 219 H HA -0.112 4.457 4.556 0.023 0.000 0.299 219 H C 2.308 177.496 175.328 -0.234 0.000 1.090 219 H CA 1.006 56.917 56.048 -0.228 0.000 1.332 219 H CB 0.077 29.756 29.762 -0.139 0.000 1.386 219 H HN 0.487 nan 8.280 nan 0.000 0.516 220 A N 0.368 123.031 122.820 -0.262 0.000 1.930 220 A HA -0.093 4.241 4.320 0.023 0.000 0.217 220 A C 2.463 179.903 177.584 -0.241 0.000 1.175 220 A CA 1.220 53.102 52.037 -0.258 0.000 0.627 220 A CB -0.578 18.160 19.000 -0.436 0.000 0.815 220 A HN 0.301 nan 8.150 nan 0.000 0.443 221 V N -0.217 119.429 119.914 -0.447 0.000 2.788 221 V HA 0.010 4.144 4.120 0.023 0.000 0.251 221 V C 0.983 177.021 176.094 -0.093 0.000 1.068 221 V CA 0.766 62.849 62.300 -0.361 0.000 1.090 221 V CB -0.428 30.965 31.823 -0.717 0.000 0.710 221 V HN 0.361 nan 8.190 nan 0.000 0.467 222 K N 1.024 121.349 120.400 -0.126 0.000 2.156 222 K HA 0.224 4.558 4.320 0.023 0.000 0.242 222 K C -2.303 174.252 176.600 -0.076 0.000 1.033 222 K CA -1.531 54.703 56.287 -0.089 0.000 0.878 222 K CB -0.396 32.044 32.500 -0.100 0.000 1.057 222 K HN 0.157 nan 8.250 nan 0.000 0.505 223 P HA -0.004 nan 4.420 nan 0.000 0.265 223 P C -0.737 176.504 177.300 -0.098 0.000 1.193 223 P CA 0.369 63.337 63.100 -0.220 0.000 0.765 223 P CB 0.297 31.872 31.700 -0.208 0.000 0.823 224 E N 5.605 125.787 120.200 -0.030 0.000 2.414 224 E HA -0.025 4.339 4.350 0.023 0.000 0.263 224 E C -1.172 175.510 176.600 0.135 0.000 1.000 224 E CA -1.228 55.267 56.400 0.159 0.000 0.914 224 E CB 0.120 30.037 29.700 0.362 0.000 0.948 224 E HN 0.421 nan 8.360 nan 0.000 0.444 225 P HA -0.246 nan 4.420 nan 0.000 0.218 225 P C 1.076 178.447 177.300 0.118 0.000 1.148 225 P CA 1.553 64.697 63.100 0.073 0.000 0.822 225 P CB -0.028 31.691 31.700 0.032 0.000 0.784 226 H N -0.814 118.290 119.070 0.057 0.000 2.299 226 H HA -0.095 4.475 4.556 0.023 0.000 0.302 226 H C 1.492 176.913 175.328 0.155 0.000 1.078 226 H CA 1.558 57.625 56.048 0.032 0.000 1.323 226 H CB -1.430 28.280 29.762 -0.087 0.000 1.381 226 H HN 0.310 nan 8.280 nan 0.000 0.498 227 W N -0.111 120.806 121.300 -0.637 0.000 2.870 227 W HA 0.716 5.389 4.660 0.022 0.000 0.358 227 W C 0.416 176.770 176.519 -0.275 0.000 1.043 227 W CA -1.464 55.649 57.345 -0.387 0.000 1.692 227 W CB -0.880 28.335 29.460 -0.408 0.000 1.100 227 W HN 0.457 nan 8.180 nan 0.000 0.557 228 A N 1.351 124.152 122.820 -0.031 0.000 2.519 228 A HA -0.127 4.207 4.320 0.023 0.000 0.297 228 A C -0.445 176.908 177.584 -0.385 0.000 1.472 228 A CA 1.418 53.357 52.037 -0.163 0.000 0.739 228 A CB -2.365 16.564 19.000 -0.119 0.000 1.096 228 A HN 0.487 nan 8.150 nan 0.000 0.414 229 I N 0.920 121.115 120.570 -0.625 0.000 2.686 229 I HA 0.540 4.724 4.170 0.023 0.000 0.295 229 I C -2.517 173.270 176.117 -0.548 0.000 1.114 229 I CA -2.293 58.531 61.300 -0.794 0.000 1.038 229 I CB 3.073 40.104 38.000 -1.615 0.000 1.238 229 I HN 0.243 nan 8.210 nan 0.000 0.420 230 P HA 0.302 nan 4.420 nan 0.000 0.292 230 P C -1.558 175.572 177.300 -0.284 0.000 1.300 230 P CA -0.846 62.025 63.100 -0.381 0.000 0.900 230 P CB 1.617 33.172 31.700 -0.242 0.000 1.139 231 Q N 0.946 120.625 119.800 -0.203 0.000 2.286 231 Q HA 0.459 4.813 4.340 0.023 0.000 0.257 231 Q C 1.176 177.129 176.000 -0.079 0.000 0.941 231 Q CA 1.179 56.901 55.803 -0.136 0.000 0.912 231 Q CB -0.487 28.185 28.738 -0.109 0.000 1.192 231 Q HN 0.827 nan 8.270 nan 0.000 0.410 232 G N 3.190 111.951 108.800 -0.064 0.000 2.168 232 G HA2 -0.296 3.677 3.960 0.023 0.000 0.257 232 G HA3 -0.296 3.677 3.960 0.023 0.000 0.257 232 G C -0.316 174.582 174.900 -0.004 0.000 0.997 232 G CA 0.621 45.706 45.100 -0.025 0.000 0.708 232 G HN 0.560 nan 8.290 nan 0.000 0.520 233 Q N -1.133 118.656 119.800 -0.017 0.000 2.389 233 Q HA 0.593 4.946 4.340 0.023 0.000 0.277 233 Q C 0.813 176.810 176.000 -0.005 0.000 1.082 233 Q CA -0.179 55.639 55.803 0.025 0.000 0.810 233 Q CB 1.821 30.621 28.738 0.103 0.000 1.374 233 Q HN 0.410 nan 8.270 nan 0.000 0.422 234 S N -0.753 114.842 115.700 -0.174 0.000 2.556 234 S HA 0.206 4.690 4.470 0.023 0.000 0.216 234 S C 0.884 175.403 174.600 -0.134 0.000 0.970 234 S CA -0.043 57.797 58.200 -0.599 0.000 0.912 234 S CB 0.349 62.597 63.200 -1.587 0.000 0.790 234 S HN 0.600 nan 8.310 nan 0.000 0.504 235 A N 2.476 125.421 122.820 0.209 0.000 3.026 235 A HA 0.509 4.843 4.320 0.023 0.000 0.272 235 A C 0.123 177.942 177.584 0.390 0.000 1.782 235 A CA -0.479 51.768 52.037 0.351 0.000 1.451 235 A CB -1.310 17.841 19.000 0.250 0.000 1.081 235 A HN 0.891 nan 8.150 nan 0.000 0.611 236 H N -3.348 115.909 119.070 0.312 0.000 3.003 236 H HA 0.471 5.041 4.556 0.023 0.000 0.327 236 H C -0.228 175.293 175.328 0.323 0.000 1.353 236 H CA -0.649 55.548 56.048 0.248 0.000 1.142 236 H CB 0.183 30.044 29.762 0.165 0.000 1.864 236 H HN 0.090 nan 8.280 nan 0.000 0.529 237 D N 0.295 120.873 120.400 0.296 0.000 2.126 237 D HA -0.240 4.414 4.640 0.023 0.000 0.190 237 D C 2.148 178.517 176.300 0.114 0.000 1.001 237 D CA 3.327 57.440 54.000 0.188 0.000 0.841 237 D CB -0.501 40.387 40.800 0.148 0.000 0.949 237 D HN 0.802 nan 8.370 nan 0.000 0.446 238 T N -1.582 113.044 114.554 0.121 0.000 2.759 238 T HA -0.232 4.132 4.350 0.023 0.000 0.269 238 T C 1.895 176.547 174.700 -0.080 0.000 1.042 238 T CA 0.861 62.994 62.100 0.054 0.000 1.140 238 T CB -0.730 68.224 68.868 0.144 0.000 0.864 238 T HN 0.167 nan 8.240 nan 0.000 0.455 239 F N 0.732 120.372 119.950 -0.517 0.000 2.075 239 F HA 0.077 4.618 4.527 0.023 0.000 0.297 239 F C 1.922 177.462 175.800 -0.434 0.000 1.113 239 F CA 0.834 58.459 58.000 -0.625 0.000 1.218 239 F CB -0.628 37.803 39.000 -0.950 0.000 0.984 239 F HN 0.159 nan 8.300 nan 0.000 0.472 240 W N 0.592 121.829 121.300 -0.104 0.000 2.425 240 W HA -0.111 4.563 4.660 0.023 0.000 0.277 240 W C 2.302 178.742 176.519 -0.131 0.000 1.231 240 W CA 1.065 58.332 57.345 -0.130 0.000 1.248 240 W CB -0.587 28.876 29.460 0.005 0.000 1.117 240 W HN 0.092 nan 8.180 nan 0.000 0.568 241 D N -0.740 119.697 120.400 0.061 0.000 2.097 241 D HA -0.287 4.367 4.640 0.023 0.000 0.195 241 D C 1.885 178.187 176.300 0.003 0.000 0.989 241 D CA 1.446 55.466 54.000 0.033 0.000 0.827 241 D CB -0.497 40.333 40.800 0.050 0.000 0.966 241 D HN 0.183 nan 8.370 nan 0.000 0.456 242 Y N 0.404 120.606 120.300 -0.164 0.000 2.145 242 Y HA -0.169 4.395 4.550 0.023 0.000 0.286 242 Y C 2.250 178.022 175.900 -0.213 0.000 1.145 242 Y CA 1.452 59.444 58.100 -0.180 0.000 1.148 242 Y CB -0.477 37.848 38.460 -0.224 0.000 0.981 242 Y HN -0.113 nan 8.280 nan 0.000 0.507 243 V N 0.200 120.005 119.914 -0.181 0.000 2.332 243 V HA -0.337 3.797 4.120 0.023 0.000 0.248 243 V C 2.581 178.615 176.094 -0.101 0.000 1.055 243 V CA 2.292 64.467 62.300 -0.208 0.000 1.038 243 V CB -1.161 30.412 31.823 -0.416 0.000 0.651 243 V HN 0.672 nan 8.190 nan 0.000 0.450 244 S N -0.444 115.236 115.700 -0.033 0.000 2.453 244 S HA -0.005 4.479 4.470 0.023 0.000 0.231 244 S C 1.662 176.222 174.600 -0.066 0.000 1.005 244 S CA 1.094 59.295 58.200 0.001 0.000 0.949 244 S CB -0.395 62.832 63.200 0.044 0.000 0.774 244 S HN 0.558 nan 8.310 nan 0.000 0.510 245 L N 0.073 121.211 121.223 -0.141 0.000 2.585 245 L HA 0.321 4.675 4.340 0.023 0.000 0.226 245 L C 0.488 177.188 176.870 -0.284 0.000 1.113 245 L CA 0.127 54.859 54.840 -0.180 0.000 0.876 245 L CB 0.006 41.959 42.059 -0.177 0.000 1.072 245 L HN 0.242 nan 8.230 nan 0.000 0.468 246 Q N 0.373 119.961 119.800 -0.354 0.000 3.090 246 Q HA 0.237 4.591 4.340 0.023 0.000 0.241 246 Q C -1.971 173.814 176.000 -0.358 0.000 0.958 246 Q CA -1.433 54.123 55.803 -0.411 0.000 0.715 246 Q CB 1.636 30.014 28.738 -0.599 0.000 1.298 246 Q HN -0.024 nan 8.270 nan 0.000 0.468 247 P HA -0.211 nan 4.420 nan 0.000 0.225 247 P C 0.982 177.985 177.300 -0.496 0.000 1.148 247 P CA 1.046 63.894 63.100 -0.420 0.000 0.779 247 P CB 0.267 31.693 31.700 -0.456 0.000 0.780 248 E N 0.742 120.544 120.200 -0.663 0.000 2.267 248 E HA -0.184 4.179 4.350 0.023 0.000 0.197 248 E C 1.438 178.001 176.600 -0.060 0.000 0.998 248 E CA 1.860 58.113 56.400 -0.245 0.000 0.830 248 E CB -1.239 28.379 29.700 -0.137 0.000 0.751 248 E HN 0.285 nan 8.360 nan 0.000 0.491 249 T N -0.789 113.735 114.554 -0.051 0.000 3.055 249 T HA 0.051 4.414 4.350 0.023 0.000 0.265 249 T C 1.941 176.715 174.700 0.123 0.000 1.111 249 T CA 0.351 62.486 62.100 0.058 0.000 1.118 249 T CB -0.301 68.622 68.868 0.092 0.000 0.909 249 T HN 0.141 nan 8.240 nan 0.000 0.501 250 L N 0.163 121.462 121.223 0.126 0.000 2.079 250 L HA -0.098 4.256 4.340 0.023 0.000 0.210 250 L C 2.848 179.899 176.870 0.303 0.000 1.081 250 L CA 1.847 56.836 54.840 0.247 0.000 0.752 250 L CB -0.858 41.357 42.059 0.260 0.000 0.896 250 L HN 0.461 nan 8.230 nan 0.000 0.433 251 H N 0.143 119.276 119.070 0.105 0.000 2.267 251 H HA -0.228 4.342 4.556 0.023 0.000 0.297 251 H C 2.176 177.526 175.328 0.037 0.000 1.080 251 H CA 1.946 58.052 56.048 0.096 0.000 1.278 251 H CB 0.181 29.954 29.762 0.017 0.000 1.365 251 H HN 0.369 nan 8.280 nan 0.000 0.489 252 N N -0.182 118.369 118.700 -0.249 0.000 2.331 252 N HA -0.118 4.636 4.740 0.023 0.000 0.180 252 N C 1.925 177.293 175.510 -0.236 0.000 1.019 252 N CA 0.643 53.340 53.050 -0.589 0.000 0.881 252 N CB 0.299 38.013 38.487 -1.288 0.000 0.972 252 N HN 0.124 nan 8.380 nan 0.000 0.435 253 V N 1.625 121.617 119.914 0.130 0.000 2.343 253 V HA -0.232 3.901 4.120 0.023 0.000 0.247 253 V C 2.497 178.729 176.094 0.230 0.000 1.051 253 V CA 1.163 63.666 62.300 0.339 0.000 1.036 253 V CB -0.338 31.730 31.823 0.409 0.000 0.654 253 V HN 0.386 nan 8.190 nan 0.000 0.451 254 M N -1.478 118.299 119.600 0.296 0.000 2.065 254 M HA -0.229 4.265 4.480 0.023 0.000 0.259 254 M C 2.094 178.429 176.300 0.058 0.000 1.069 254 M CA 2.027 57.513 55.300 0.311 0.000 1.110 254 M CB -1.248 31.599 32.600 0.413 0.000 1.328 254 M HN 0.461 nan 8.290 nan 0.000 0.405 255 W N 0.450 121.499 121.300 -0.420 0.000 2.335 255 W HA -0.140 4.533 4.660 0.023 0.000 0.311 255 W C 2.807 179.257 176.519 -0.115 0.000 1.213 255 W CA 2.038 59.094 57.345 -0.482 0.000 1.274 255 W CB -1.053 28.038 29.460 -0.614 0.000 1.148 255 W HN 0.315 nan 8.180 nan 0.000 0.498 256 A N -0.820 122.086 122.820 0.143 0.000 1.972 256 A HA -0.183 4.151 4.320 0.023 0.000 0.219 256 A C 1.943 179.586 177.584 0.098 0.000 1.169 256 A CA 1.683 53.811 52.037 0.152 0.000 0.635 256 A CB -0.572 18.559 19.000 0.219 0.000 0.810 256 A HN 0.114 nan 8.150 nan 0.000 0.446 257 M N 0.652 120.262 119.600 0.017 0.000 2.349 257 M HA 0.005 4.499 4.480 0.023 0.000 0.266 257 M C 1.607 177.938 176.300 0.052 0.000 1.076 257 M CA 0.913 56.152 55.300 -0.101 0.000 1.126 257 M CB -1.411 30.845 32.600 -0.574 0.000 1.392 257 M HN 0.559 nan 8.290 nan 0.000 0.440 258 S N 0.407 116.205 115.700 0.162 0.000 2.633 258 S HA 0.035 4.518 4.470 0.023 0.000 0.257 258 S C 0.820 175.549 174.600 0.214 0.000 1.265 258 S CA -0.265 58.070 58.200 0.225 0.000 0.980 258 S CB 0.650 64.036 63.200 0.309 0.000 1.017 258 S HN 0.204 nan 8.310 nan 0.000 0.577 259 D N 0.127 120.671 120.400 0.239 0.000 2.348 259 D HA 0.031 4.685 4.640 0.023 0.000 0.216 259 D C 2.012 178.459 176.300 0.245 0.000 0.970 259 D CA 0.356 54.521 54.000 0.275 0.000 0.889 259 D CB -0.181 40.852 40.800 0.388 0.000 0.912 259 D HN 0.365 nan 8.370 nan 0.000 0.524 260 R N 0.288 120.926 120.500 0.230 0.000 2.117 260 R HA -0.082 4.271 4.340 0.023 0.000 0.243 260 R C 2.113 178.571 176.300 0.264 0.000 1.143 260 R CA 1.170 57.431 56.100 0.268 0.000 0.968 260 R CB -0.970 29.549 30.300 0.366 0.000 0.863 260 R HN 0.193 nan 8.270 nan 0.000 0.444 261 G N 1.358 110.301 108.800 0.238 0.000 2.679 261 G HA2 -0.040 3.934 3.960 0.023 0.000 0.212 261 G HA3 -0.040 3.934 3.960 0.023 0.000 0.212 261 G C 1.021 176.067 174.900 0.244 0.000 1.137 261 G CA 0.201 45.436 45.100 0.225 0.000 0.787 261 G HN 0.443 nan 8.290 nan 0.000 0.534 262 I N -2.186 118.538 120.570 0.256 0.000 2.926 262 I HA 0.362 4.546 4.170 0.023 0.000 0.295 262 I C -2.841 173.437 176.117 0.269 0.000 1.463 262 I CA -2.683 58.777 61.300 0.267 0.000 0.892 262 I CB 1.831 39.989 38.000 0.264 0.000 1.874 262 I HN -0.264 nan 8.210 nan 0.000 0.620 263 P HA 0.060 nan 4.420 nan 0.000 0.269 263 P C 0.524 177.968 177.300 0.239 0.000 1.209 263 P CA -0.128 63.090 63.100 0.196 0.000 0.776 263 P CB 1.322 33.079 31.700 0.095 0.000 0.876 264 R N 2.150 122.780 120.500 0.216 0.000 2.092 264 R HA -0.002 4.352 4.340 0.023 0.000 0.231 264 R C 0.529 176.976 176.300 0.246 0.000 1.119 264 R CA 1.554 57.830 56.100 0.293 0.000 0.970 264 R CB -0.422 30.028 30.300 0.250 0.000 0.864 264 R HN 0.575 nan 8.270 nan 0.000 0.440 265 S N -2.880 112.773 115.700 -0.078 0.000 2.567 265 S HA 0.213 4.697 4.470 0.023 0.000 0.270 265 S C -0.259 174.041 174.600 -0.499 0.000 1.152 265 S CA -0.875 57.100 58.200 -0.375 0.000 0.835 265 S CB 0.091 63.205 63.200 -0.143 0.000 1.115 265 S HN 0.102 nan 8.310 nan 0.000 0.459 266 Y N 1.834 121.783 120.300 -0.585 0.000 2.403 266 Y HA 0.098 4.661 4.550 0.023 0.000 0.291 266 Y C 2.406 177.959 175.900 -0.578 0.000 1.143 266 Y CA 1.042 58.663 58.100 -0.797 0.000 1.257 266 Y CB -0.377 37.196 38.460 -1.478 0.000 0.984 266 Y HN 0.561 nan 8.280 nan 0.000 0.550 267 R N -0.543 119.827 120.500 -0.217 0.000 2.189 267 R HA -0.039 4.315 4.340 0.023 0.000 0.218 267 R C 1.101 177.363 176.300 -0.064 0.000 1.074 267 R CA 1.501 57.523 56.100 -0.130 0.000 0.991 267 R CB -0.337 29.879 30.300 -0.139 0.000 0.883 267 R HN 0.313 nan 8.270 nan 0.000 0.457 268 T N -1.487 113.047 114.554 -0.034 0.000 3.268 268 T HA 0.370 4.734 4.350 0.023 0.000 0.258 268 T C 0.160 174.907 174.700 0.078 0.000 0.966 268 T CA -0.647 61.463 62.100 0.017 0.000 0.952 268 T CB -0.133 68.732 68.868 -0.004 0.000 1.132 268 T HN 0.077 nan 8.240 nan 0.000 0.536 269 M N -1.252 118.437 119.600 0.149 0.000 2.593 269 M HA 0.724 5.217 4.480 0.023 0.000 0.290 269 M C -1.328 175.154 176.300 0.302 0.000 1.244 269 M CA -0.864 54.562 55.300 0.210 0.000 0.857 269 M CB 2.245 34.965 32.600 0.200 0.000 1.738 269 M HN -0.126 nan 8.290 nan 0.000 0.461 270 E N 0.244 120.618 120.200 0.291 0.000 2.312 270 E HA 0.711 5.074 4.350 0.023 0.000 0.259 270 E C -0.418 176.246 176.600 0.107 0.000 1.122 270 E CA -0.626 55.882 56.400 0.181 0.000 0.922 270 E CB 1.876 31.632 29.700 0.092 0.000 1.109 270 E HN 0.861 nan 8.360 nan 0.000 0.442 271 G N 0.659 109.316 108.800 -0.239 0.000 2.620 271 G HA2 0.625 4.599 3.960 0.023 0.000 0.301 271 G HA3 0.625 4.599 3.960 0.023 0.000 0.301 271 G C -1.553 172.890 174.900 -0.761 0.000 1.347 271 G CA -0.466 44.465 45.100 -0.281 0.000 0.971 271 G HN 0.277 nan 8.290 nan 0.000 0.488 272 F N -0.240 119.635 119.950 -0.125 0.000 2.601 272 F HA 0.518 5.058 4.527 0.022 0.000 0.309 272 F C 1.116 176.825 175.800 -0.152 0.000 1.089 272 F CA -0.466 57.396 58.000 -0.230 0.000 0.940 272 F CB 2.536 41.349 39.000 -0.313 0.000 1.273 272 F HN 0.609 nan 8.300 nan 0.000 0.450 273 G N 0.799 109.663 108.800 0.106 0.000 2.572 273 G HA2 0.097 4.071 3.960 0.023 0.000 0.216 273 G HA3 0.097 4.071 3.960 0.023 0.000 0.216 273 G C 1.219 176.182 174.900 0.104 0.000 1.133 273 G CA 0.914 46.136 45.100 0.204 0.000 0.791 273 G HN 0.795 nan 8.290 nan 0.000 0.538 274 I N -1.059 119.492 120.570 -0.032 0.000 4.624 274 I HA -0.324 3.859 4.170 0.023 0.000 0.049 274 I C 0.583 176.548 176.117 -0.252 0.000 0.621 274 I CA 1.584 62.734 61.300 -0.251 0.000 0.836 274 I CB -1.256 36.496 38.000 -0.412 0.000 0.765 274 I HN 0.278 nan 8.210 nan 0.000 0.159 275 H N 2.196 121.267 119.070 0.002 0.000 2.679 275 H HA 0.225 4.795 4.556 0.023 0.000 0.369 275 H C 0.093 175.351 175.328 -0.117 0.000 1.178 275 H CA 0.540 56.504 56.048 -0.141 0.000 1.419 275 H CB 0.271 29.789 29.762 -0.406 0.000 1.458 275 H HN 0.200 nan 8.280 nan 0.000 0.605 276 T N 3.595 118.110 114.554 -0.066 0.000 2.794 276 T HA 0.270 4.633 4.350 0.023 0.000 0.296 276 T C 0.205 174.841 174.700 -0.107 0.000 0.949 276 T CA -0.048 62.008 62.100 -0.072 0.000 1.101 276 T CB -0.127 68.645 68.868 -0.161 0.000 0.905 276 T HN 0.252 nan 8.240 nan 0.000 0.516 277 F N 1.301 121.212 119.950 -0.066 0.000 2.629 277 F HA 0.664 5.205 4.527 0.022 0.000 0.386 277 F C 0.990 176.759 175.800 -0.052 0.000 1.135 277 F CA -1.451 56.540 58.000 -0.015 0.000 1.116 277 F CB 1.400 40.381 39.000 -0.032 0.000 1.426 277 F HN 0.169 nan 8.300 nan 0.000 0.501 278 R N 0.581 121.155 120.500 0.123 0.000 2.740 278 R HA 0.648 5.002 4.340 0.023 0.000 0.282 278 R C -1.651 174.542 176.300 -0.179 0.000 0.969 278 R CA -0.890 55.144 56.100 -0.110 0.000 0.918 278 R CB 1.964 32.130 30.300 -0.224 0.000 1.175 278 R HN 0.427 nan 8.270 nan 0.000 0.464 279 L N 3.614 124.682 121.223 -0.259 0.000 2.295 279 L HA 0.516 4.870 4.340 0.023 0.000 0.285 279 L C -0.461 176.249 176.870 -0.267 0.000 1.035 279 L CA -0.870 53.820 54.840 -0.249 0.000 0.806 279 L CB 1.255 43.170 42.059 -0.240 0.000 1.214 279 L HN 0.365 nan 8.230 nan 0.000 0.426 280 I N 3.098 123.530 120.570 -0.230 0.000 2.418 280 I HA 0.278 4.462 4.170 0.023 0.000 0.287 280 I C -0.180 175.839 176.117 -0.163 0.000 1.008 280 I CA -0.649 60.513 61.300 -0.229 0.000 1.104 280 I CB 1.404 39.270 38.000 -0.223 0.000 1.264 280 I HN 0.636 nan 8.210 nan 0.000 0.438 281 N N 5.004 123.621 118.700 -0.139 0.000 2.476 281 N HA 0.368 5.122 4.740 0.023 0.000 0.287 281 N C 0.801 176.262 175.510 -0.081 0.000 1.262 281 N CA -0.418 52.572 53.050 -0.099 0.000 0.980 281 N CB 0.552 38.990 38.487 -0.082 0.000 1.163 281 N HN 0.513 nan 8.380 nan 0.000 0.592 282 A N -0.785 121.999 122.820 -0.061 0.000 2.067 282 A HA -0.077 4.257 4.320 0.023 0.000 0.219 282 A C 1.239 178.798 177.584 -0.041 0.000 1.158 282 A CA 1.094 53.102 52.037 -0.048 0.000 0.661 282 A CB -0.718 18.260 19.000 -0.035 0.000 0.801 282 A HN 0.771 nan 8.150 nan 0.000 0.452 283 E N -1.197 118.978 120.200 -0.041 0.000 2.489 283 E HA 0.322 4.686 4.350 0.023 0.000 0.193 283 E C 1.165 177.748 176.600 -0.027 0.000 1.057 283 E CA 0.614 56.996 56.400 -0.031 0.000 0.866 283 E CB -0.086 29.597 29.700 -0.028 0.000 0.916 283 E HN 0.670 nan 8.360 nan 0.000 0.500 284 G N 1.419 110.197 108.800 -0.036 0.000 2.159 284 G HA2 -0.378 3.596 3.960 0.023 0.000 0.256 284 G HA3 -0.378 3.596 3.960 0.023 0.000 0.256 284 G C 0.241 175.132 174.900 -0.016 0.000 0.977 284 G CA 0.299 45.392 45.100 -0.012 0.000 0.652 284 G HN 0.274 nan 8.290 nan 0.000 0.531 285 K N 0.804 121.161 120.400 -0.072 0.000 2.276 285 K HA 0.658 4.992 4.320 0.023 0.000 0.283 285 K C 0.588 177.026 176.600 -0.269 0.000 1.044 285 K CA 0.151 56.367 56.287 -0.119 0.000 0.944 285 K CB 0.557 32.999 32.500 -0.096 0.000 1.012 285 K HN 0.542 nan 8.250 nan 0.000 0.472 286 A N 3.555 126.099 122.820 -0.459 0.000 2.301 286 A HA 0.385 4.718 4.320 0.023 0.000 0.298 286 A C -0.707 176.546 177.584 -0.551 0.000 1.185 286 A CA -0.441 51.168 52.037 -0.714 0.000 0.830 286 A CB 0.912 19.047 19.000 -1.443 0.000 1.112 286 A HN 0.726 nan 8.150 nan 0.000 0.508 287 T N 2.526 116.800 114.554 -0.466 0.000 2.824 287 T HA 0.536 4.899 4.350 0.023 0.000 0.282 287 T C -0.642 173.844 174.700 -0.357 0.000 0.993 287 T CA -0.118 61.765 62.100 -0.361 0.000 0.967 287 T CB 0.500 69.247 68.868 -0.201 0.000 0.960 287 T HN 0.334 nan 8.240 nan 0.000 0.441 288 F N 2.103 121.960 119.950 -0.154 0.000 2.443 288 F HA 0.537 5.078 4.527 0.023 0.000 0.353 288 F C 0.518 176.199 175.800 -0.198 0.000 1.101 288 F CA -0.533 57.372 58.000 -0.158 0.000 1.226 288 F CB 0.746 39.675 39.000 -0.119 0.000 1.140 288 F HN 0.191 nan 8.300 nan 0.000 0.557 289 V N 4.935 124.806 119.914 -0.072 0.000 2.888 289 V HA 0.579 4.713 4.120 0.023 0.000 0.309 289 V C -0.983 174.874 176.094 -0.395 0.000 1.114 289 V CA -0.786 61.315 62.300 -0.332 0.000 0.940 289 V CB 2.133 33.526 31.823 -0.716 0.000 1.021 289 V HN 0.749 nan 8.190 nan 0.000 0.426 290 R N 4.915 125.232 120.500 -0.305 0.000 2.437 290 R HA 0.526 4.879 4.340 0.023 0.000 0.310 290 R C -1.616 174.603 176.300 -0.134 0.000 0.955 290 R CA -0.448 55.527 56.100 -0.208 0.000 0.851 290 R CB 1.838 32.133 30.300 -0.008 0.000 1.161 290 R HN 0.575 nan 8.270 nan 0.000 0.446 291 F N 2.652 122.639 119.950 0.063 0.000 2.396 291 F HA 0.341 4.881 4.527 0.023 0.000 0.343 291 F C 1.027 176.771 175.800 -0.095 0.000 1.104 291 F CA -0.024 57.977 58.000 0.003 0.000 1.161 291 F CB 0.770 39.669 39.000 -0.168 0.000 1.146 291 F HN 0.226 nan 8.300 nan 0.000 0.522 292 H N 1.113 120.181 119.070 -0.003 0.000 2.821 292 H HA 0.287 4.857 4.556 0.023 0.000 0.373 292 H C -1.535 173.576 175.328 -0.362 0.000 1.165 292 H CA -0.983 54.955 56.048 -0.184 0.000 1.154 292 H CB 2.109 31.857 29.762 -0.024 0.000 1.765 292 H HN 0.669 nan 8.280 nan 0.000 0.549 293 W N 1.975 123.166 121.300 -0.181 0.000 2.683 293 W HA 0.313 4.987 4.660 0.023 0.000 0.329 293 W C -0.294 176.243 176.519 0.030 0.000 1.037 293 W CA -0.755 56.529 57.345 -0.102 0.000 1.232 293 W CB 1.892 31.134 29.460 -0.363 0.000 1.390 293 W HN 0.298 nan 8.180 nan 0.000 0.465 294 K N 5.508 126.185 120.400 0.460 0.000 2.235 294 K HA 0.417 4.750 4.320 0.023 0.000 0.266 294 K C -2.403 174.438 176.600 0.402 0.000 0.980 294 K CA -1.910 54.586 56.287 0.347 0.000 0.849 294 K CB 1.469 34.123 32.500 0.256 0.000 1.098 294 K HN 0.020 nan 8.250 nan 0.000 0.445 295 P HA 0.038 nan 4.420 nan 0.000 0.276 295 P C 0.353 177.674 177.300 0.035 0.000 1.264 295 P CA -0.023 63.172 63.100 0.158 0.000 0.769 295 P CB 0.670 32.475 31.700 0.175 0.000 0.840 296 L N 2.790 123.976 121.223 -0.063 0.000 2.362 296 L HA -0.096 4.258 4.340 0.023 0.000 0.219 296 L C 2.224 179.076 176.870 -0.031 0.000 1.134 296 L CA 1.175 56.006 54.840 -0.015 0.000 0.807 296 L CB -0.633 41.423 42.059 -0.005 0.000 0.927 296 L HN 0.331 nan 8.230 nan 0.000 0.447 297 A N 0.013 122.790 122.820 -0.073 0.000 2.235 297 A HA 0.384 4.717 4.320 0.023 0.000 0.208 297 A C 1.277 178.861 177.584 0.000 0.000 1.172 297 A CA 0.731 52.742 52.037 -0.043 0.000 0.786 297 A CB -0.411 18.547 19.000 -0.072 0.000 0.804 297 A HN 0.468 nan 8.150 nan 0.000 0.479 298 G N -0.770 108.045 108.800 0.024 0.000 2.712 298 G HA2 -0.119 3.854 3.960 0.023 0.000 0.683 298 G HA3 -0.119 3.854 3.960 0.023 0.000 0.683 298 G C -0.667 174.265 174.900 0.054 0.000 1.320 298 G CA -0.435 44.698 45.100 0.055 0.000 0.847 298 G HN 0.441 nan 8.290 nan 0.000 0.553 299 K N 0.175 120.612 120.400 0.061 0.000 2.183 299 K HA 0.717 5.050 4.320 0.023 0.000 0.274 299 K C 0.149 176.752 176.600 0.006 0.000 1.009 299 K CA 0.161 56.472 56.287 0.040 0.000 0.888 299 K CB 1.801 34.313 32.500 0.020 0.000 1.078 299 K HN 1.402 nan 8.250 nan 0.000 0.459 300 A N 1.840 124.654 122.820 -0.010 0.000 2.517 300 A HA 0.599 4.933 4.320 0.023 0.000 0.297 300 A C -1.085 176.560 177.584 0.102 0.000 1.050 300 A CA -0.653 51.329 52.037 -0.092 0.000 0.694 300 A CB 1.723 20.453 19.000 -0.449 0.000 1.277 300 A HN 0.524 nan 8.150 nan 0.000 0.400 301 S N 0.444 116.363 115.700 0.365 0.000 2.671 301 S HA 0.774 5.258 4.470 0.023 0.000 0.299 301 S C -0.051 174.872 174.600 0.538 0.000 1.116 301 S CA -0.586 57.861 58.200 0.413 0.000 0.912 301 S CB 1.178 64.605 63.200 0.379 0.000 1.130 301 S HN 0.641 nan 8.310 nan 0.000 0.501 302 L N 1.156 122.587 121.223 0.346 0.000 2.543 302 L HA 0.605 4.959 4.340 0.023 0.000 0.231 302 L C -0.024 176.960 176.870 0.189 0.000 1.194 302 L CA -0.831 54.134 54.840 0.208 0.000 0.823 302 L CB 0.161 42.259 42.059 0.064 0.000 1.374 302 L HN 0.485 nan 8.230 nan 0.000 0.507 303 V N -3.294 116.626 119.914 0.010 0.000 2.769 303 V HA 0.191 4.324 4.120 0.023 0.000 0.312 303 V C 0.653 176.692 176.094 -0.092 0.000 1.058 303 V CA -0.810 61.470 62.300 -0.032 0.000 0.952 303 V CB 1.604 33.392 31.823 -0.060 0.000 1.019 303 V HN 0.932 nan 8.190 nan 0.000 0.445 304 W N 1.981 123.140 121.300 -0.234 0.000 2.317 304 W HA -0.256 4.417 4.660 0.022 0.000 0.318 304 W C 1.772 178.130 176.519 -0.268 0.000 1.227 304 W CA 2.644 59.849 57.345 -0.234 0.000 1.269 304 W CB -0.100 29.208 29.460 -0.254 0.000 1.155 304 W HN 1.013 nan 8.180 nan 0.000 0.484 305 D N 0.147 120.278 120.400 -0.448 0.000 2.123 305 D HA -0.299 4.354 4.640 0.023 0.000 0.196 305 D C 2.170 178.115 176.300 -0.591 0.000 0.992 305 D CA 2.211 55.905 54.000 -0.511 0.000 0.833 305 D CB -0.498 40.256 40.800 -0.077 0.000 0.954 305 D HN 0.403 nan 8.370 nan 0.000 0.455 306 E N -0.350 119.355 120.200 -0.825 0.000 2.047 306 E HA -0.193 4.171 4.350 0.023 0.000 0.191 306 E C 2.034 178.304 176.600 -0.551 0.000 0.987 306 E CA 1.031 56.920 56.400 -0.852 0.000 0.799 306 E CB -0.226 28.832 29.700 -1.069 0.000 0.752 306 E HN 0.296 nan 8.360 nan 0.000 0.449 307 A N 1.291 123.807 122.820 -0.506 0.000 1.883 307 A HA -0.286 4.048 4.320 0.023 0.000 0.217 307 A C 2.215 179.475 177.584 -0.538 0.000 1.186 307 A CA 1.950 53.735 52.037 -0.419 0.000 0.624 307 A CB -0.828 18.035 19.000 -0.228 0.000 0.822 307 A HN 0.480 nan 8.150 nan 0.000 0.444 308 Q N -0.324 118.950 119.800 -0.877 0.000 2.050 308 Q HA -0.207 4.147 4.340 0.023 0.000 0.202 308 Q C 2.015 177.737 176.000 -0.462 0.000 0.980 308 Q CA 1.925 57.224 55.803 -0.841 0.000 0.840 308 Q CB -0.144 27.830 28.738 -1.273 0.000 0.898 308 Q HN 0.677 nan 8.270 nan 0.000 0.424 309 K N -0.031 120.121 120.400 -0.413 0.000 2.097 309 K HA -0.154 4.180 4.320 0.023 0.000 0.206 309 K C 2.017 178.475 176.600 -0.237 0.000 1.049 309 K CA 0.884 57.019 56.287 -0.254 0.000 0.933 309 K CB -0.103 32.292 32.500 -0.174 0.000 0.717 309 K HN 0.170 nan 8.250 nan 0.000 0.442 310 L N 1.449 122.488 121.223 -0.306 0.000 2.201 310 L HA -0.142 4.211 4.340 0.023 0.000 0.212 310 L C 2.388 179.119 176.870 -0.232 0.000 1.105 310 L CA 1.918 56.571 54.840 -0.312 0.000 0.775 310 L CB -1.014 40.767 42.059 -0.465 0.000 0.913 310 L HN 0.334 nan 8.230 nan 0.000 0.440 311 T N -4.617 109.806 114.554 -0.218 0.000 2.881 311 T HA -0.078 4.285 4.350 0.023 0.000 0.270 311 T C 1.847 176.481 174.700 -0.110 0.000 1.068 311 T CA 1.050 63.062 62.100 -0.145 0.000 1.131 311 T CB -0.819 67.975 68.868 -0.122 0.000 0.871 311 T HN 0.352 nan 8.240 nan 0.000 0.479 312 G N 0.998 109.726 108.800 -0.120 0.000 2.437 312 G HA2 0.020 3.993 3.960 0.023 0.000 0.212 312 G HA3 0.020 3.993 3.960 0.023 0.000 0.212 312 G C 1.897 176.751 174.900 -0.076 0.000 1.174 312 G CA -0.279 44.769 45.100 -0.087 0.000 0.811 312 G HN 0.277 nan 8.290 nan 0.000 0.537 313 R N 0.357 120.803 120.500 -0.091 0.000 2.092 313 R HA 0.029 4.383 4.340 0.023 0.000 0.231 313 R C -0.116 176.155 176.300 -0.048 0.000 1.119 313 R CA 0.882 56.941 56.100 -0.068 0.000 0.970 313 R CB -0.276 29.977 30.300 -0.078 0.000 0.864 313 R HN 0.354 nan 8.270 nan 0.000 0.440 314 D N -0.540 119.825 120.400 -0.059 0.000 2.411 314 D HA 0.143 4.796 4.640 0.023 0.000 0.239 314 D C -2.087 174.207 176.300 -0.011 0.000 1.307 314 D CA -1.825 52.170 54.000 -0.008 0.000 0.930 314 D CB 1.327 42.165 40.800 0.063 0.000 1.395 314 D HN -0.141 nan 8.370 nan 0.000 0.536 315 P HA -0.034 nan 4.420 nan 0.000 0.223 315 P C -0.038 177.262 177.300 -0.000 0.000 1.144 315 P CA 0.788 63.872 63.100 -0.026 0.000 0.783 315 P CB 0.462 32.145 31.700 -0.028 0.000 0.771 316 D N -1.462 118.949 120.400 0.018 0.000 2.525 316 D HA 0.082 4.735 4.640 0.023 0.000 0.229 316 D C 1.104 177.436 176.300 0.055 0.000 1.202 316 D CA -0.487 53.528 54.000 0.025 0.000 0.828 316 D CB -0.425 40.367 40.800 -0.013 0.000 1.008 316 D HN 0.110 nan 8.370 nan 0.000 0.493 317 F N 1.340 121.223 119.950 -0.112 0.000 2.095 317 F HA -0.237 4.303 4.527 0.022 0.000 0.298 317 F C 2.068 177.830 175.800 -0.065 0.000 1.104 317 F CA 1.869 59.798 58.000 -0.118 0.000 1.232 317 F CB 0.055 38.936 39.000 -0.198 0.000 0.987 317 F HN 0.112 nan 8.300 nan 0.000 0.475 318 H N -1.193 117.806 119.070 -0.118 0.000 2.363 318 H HA -0.096 4.473 4.556 0.023 0.000 0.301 318 H C 2.391 177.609 175.328 -0.184 0.000 1.074 318 H CA 0.991 56.825 56.048 -0.358 0.000 1.354 318 H CB -0.125 29.243 29.762 -0.656 0.000 1.397 318 H HN 0.171 nan 8.280 nan 0.000 0.516 319 R N 1.184 121.772 120.500 0.147 0.000 2.083 319 R HA -0.142 4.212 4.340 0.023 0.000 0.237 319 R C 2.470 178.867 176.300 0.162 0.000 1.137 319 R CA 1.454 57.691 56.100 0.227 0.000 0.951 319 R CB -0.043 30.366 30.300 0.181 0.000 0.851 319 R HN 0.191 nan 8.270 nan 0.000 0.434 320 R N 0.292 120.812 120.500 0.034 0.000 2.073 320 R HA -0.151 4.203 4.340 0.023 0.000 0.234 320 R C 2.202 178.500 176.300 -0.002 0.000 1.134 320 R CA 1.730 57.833 56.100 0.004 0.000 0.952 320 R CB -0.274 29.992 30.300 -0.056 0.000 0.850 320 R HN 0.265 nan 8.270 nan 0.000 0.433 321 E N 0.749 120.844 120.200 -0.175 0.000 2.110 321 E HA -0.201 4.162 4.350 0.023 0.000 0.193 321 E C 2.001 178.578 176.600 -0.040 0.000 0.988 321 E CA 1.037 57.314 56.400 -0.205 0.000 0.804 321 E CB -0.087 29.328 29.700 -0.476 0.000 0.745 321 E HN 0.267 nan 8.360 nan 0.000 0.458 322 L N 0.827 122.069 121.223 0.032 0.000 2.017 322 L HA -0.151 4.202 4.340 0.023 0.000 0.208 322 L C 2.238 179.214 176.870 0.178 0.000 1.073 322 L CA 1.880 56.789 54.840 0.115 0.000 0.745 322 L CB -0.976 41.218 42.059 0.225 0.000 0.894 322 L HN 0.308 nan 8.230 nan 0.000 0.432 323 W N 0.874 122.211 121.300 0.062 0.000 2.358 323 W HA -0.185 4.489 4.660 0.023 0.000 0.303 323 W C 2.179 178.730 176.519 0.053 0.000 1.208 323 W CA 2.078 59.471 57.345 0.080 0.000 1.274 323 W CB -0.061 29.448 29.460 0.081 0.000 1.138 323 W HN 0.358 nan 8.180 nan 0.000 0.515 324 E N 0.028 120.402 120.200 0.290 0.000 2.152 324 E HA -0.104 4.260 4.350 0.023 0.000 0.192 324 E C 2.353 178.981 176.600 0.048 0.000 0.983 324 E CA 0.907 57.400 56.400 0.154 0.000 0.818 324 E CB -0.346 29.404 29.700 0.083 0.000 0.758 324 E HN 0.163 nan 8.360 nan 0.000 0.467 325 A N 1.585 124.432 122.820 0.045 0.000 1.865 325 A HA -0.194 4.140 4.320 0.023 0.000 0.217 325 A C 2.193 179.803 177.584 0.043 0.000 1.191 325 A CA 1.216 53.273 52.037 0.034 0.000 0.623 325 A CB -0.629 18.391 19.000 0.033 0.000 0.826 325 A HN 0.130 nan 8.150 nan 0.000 0.444 326 I N -0.441 120.172 120.570 0.071 0.000 2.315 326 I HA -0.228 3.956 4.170 0.023 0.000 0.248 326 I C 2.405 178.580 176.117 0.097 0.000 1.117 326 I CA 1.372 62.761 61.300 0.147 0.000 1.404 326 I CB -0.368 37.660 38.000 0.047 0.000 1.071 326 I HN 0.416 nan 8.210 nan 0.000 0.419 327 E N 0.749 120.954 120.200 0.009 0.000 2.204 327 E HA -0.153 4.210 4.350 0.023 0.000 0.194 327 E C 2.067 178.680 176.600 0.022 0.000 0.989 327 E CA 1.119 57.537 56.400 0.030 0.000 0.824 327 E CB -0.055 29.691 29.700 0.076 0.000 0.756 327 E HN 0.507 nan 8.360 nan 0.000 0.477 328 A N 0.002 122.814 122.820 -0.013 0.000 2.218 328 A HA 0.279 4.613 4.320 0.023 0.000 0.209 328 A C 1.715 179.239 177.584 -0.100 0.000 1.168 328 A CA 0.838 52.851 52.037 -0.039 0.000 0.804 328 A CB 0.056 19.024 19.000 -0.053 0.000 0.834 328 A HN 0.313 nan 8.150 nan 0.000 0.482 329 G N -0.360 108.301 108.800 -0.233 0.000 2.175 329 G HA2 -0.198 3.776 3.960 0.023 0.000 0.244 329 G HA3 -0.198 3.776 3.960 0.023 0.000 0.244 329 G C -0.175 174.254 174.900 -0.784 0.000 0.982 329 G CA 0.217 44.889 45.100 -0.713 0.000 0.641 329 G HN 0.426 nan 8.290 nan 0.000 0.527 330 D N 1.123 121.324 120.400 -0.332 0.000 2.934 330 D HA 0.261 4.915 4.640 0.023 0.000 0.237 330 D C 0.789 177.034 176.300 -0.090 0.000 1.158 330 D CA -0.142 53.748 54.000 -0.183 0.000 0.971 330 D CB -0.808 39.979 40.800 -0.021 0.000 1.123 330 D HN 0.452 nan 8.370 nan 0.000 0.467 331 F N 1.678 121.627 119.950 -0.000 0.000 2.590 331 F HA 0.062 4.603 4.527 0.023 0.000 0.389 331 F C -1.344 174.422 175.800 -0.056 0.000 1.049 331 F CA -1.928 56.064 58.000 -0.014 0.000 1.199 331 F CB -0.101 38.904 39.000 0.008 0.000 1.058 331 F HN -0.061 nan 8.300 nan 0.000 0.556 332 P HA 0.041 nan 4.420 nan 0.000 0.263 332 P C -1.067 176.155 177.300 -0.130 0.000 1.195 332 P CA 0.227 63.288 63.100 -0.066 0.000 0.762 332 P CB 0.495 32.213 31.700 0.031 0.000 0.799 333 E N 2.383 122.360 120.200 -0.372 0.000 2.272 333 E HA 0.482 4.846 4.350 0.023 0.000 0.269 333 E C -1.082 175.236 176.600 -0.470 0.000 0.877 333 E CA -0.568 55.681 56.400 -0.252 0.000 0.755 333 E CB 1.620 31.275 29.700 -0.076 0.000 1.192 333 E HN 0.387 nan 8.360 nan 0.000 0.422 334 Y N 0.182 120.539 120.300 0.096 0.000 2.524 334 Y HA 0.278 4.842 4.550 0.023 0.000 0.347 334 Y C -0.298 175.817 175.900 0.357 0.000 1.005 334 Y CA -1.027 57.198 58.100 0.208 0.000 1.025 334 Y CB 2.101 40.646 38.460 0.142 0.000 1.275 334 Y HN 0.468 nan 8.280 nan 0.000 0.460 335 E N 2.484 123.013 120.200 0.549 0.000 2.134 335 E HA 0.387 4.750 4.350 0.023 0.000 0.278 335 E C -1.509 175.393 176.600 0.504 0.000 0.959 335 E CA -0.991 55.694 56.400 0.474 0.000 0.783 335 E CB 1.036 30.945 29.700 0.348 0.000 1.095 335 E HN 0.593 nan 8.360 nan 0.000 0.399 336 L N 4.581 126.038 121.223 0.390 0.000 2.410 336 L HA 0.463 4.817 4.340 0.023 0.000 0.273 336 L C -0.114 176.698 176.870 -0.097 0.000 1.144 336 L CA 0.640 55.419 54.840 -0.101 0.000 0.863 336 L CB 0.803 42.754 42.059 -0.180 0.000 1.140 336 L HN 0.565 nan 8.230 nan 0.000 0.463 337 G N 4.780 113.543 108.800 -0.061 0.000 2.571 337 G HA2 0.568 4.541 3.960 0.023 0.000 0.304 337 G HA3 0.568 4.541 3.960 0.023 0.000 0.304 337 G C -1.566 173.473 174.900 0.233 0.000 1.314 337 G CA -0.528 44.572 45.100 -0.001 0.000 0.975 337 G HN 0.463 nan 8.290 nan 0.000 0.485 338 F N 0.381 120.349 119.950 0.030 0.000 2.493 338 F HA 0.367 4.907 4.527 0.023 0.000 0.329 338 F C 0.393 176.188 175.800 -0.009 0.000 1.126 338 F CA -0.962 57.056 58.000 0.029 0.000 0.937 338 F CB 2.555 41.562 39.000 0.011 0.000 1.146 338 F HN 0.130 nan 8.300 nan 0.000 0.442 339 Q N 3.908 123.820 119.800 0.188 0.000 2.349 339 Q HA 0.326 4.679 4.340 0.023 0.000 0.254 339 Q C -1.110 174.929 176.000 0.064 0.000 0.980 339 Q CA -0.736 55.127 55.803 0.100 0.000 0.924 339 Q CB 1.461 30.271 28.738 0.120 0.000 1.209 339 Q HN 0.333 nan 8.270 nan 0.000 0.445 340 L N 4.470 125.741 121.223 0.079 0.000 2.307 340 L HA 0.555 4.909 4.340 0.023 0.000 0.284 340 L C -0.450 176.471 176.870 0.086 0.000 1.023 340 L CA -0.356 54.519 54.840 0.058 0.000 0.810 340 L CB 1.463 43.565 42.059 0.073 0.000 1.231 340 L HN 0.594 nan 8.230 nan 0.000 0.423 341 I N 5.330 125.966 120.570 0.110 0.000 2.512 341 I HA 0.328 4.511 4.170 0.023 0.000 0.287 341 I C -2.220 174.008 176.117 0.185 0.000 1.069 341 I CA -1.809 59.597 61.300 0.177 0.000 1.056 341 I CB 2.612 40.740 38.000 0.213 0.000 1.229 341 I HN 0.389 nan 8.210 nan 0.000 0.429 342 P HA 0.017 nan 4.420 nan 0.000 0.267 342 P C 0.571 177.933 177.300 0.103 0.000 1.200 342 P CA 0.048 63.181 63.100 0.056 0.000 0.772 342 P CB 0.841 32.566 31.700 0.043 0.000 0.855 343 E N 1.408 121.584 120.200 -0.041 0.000 2.130 343 E HA -0.278 4.086 4.350 0.023 0.000 0.196 343 E C 1.057 177.733 176.600 0.128 0.000 0.998 343 E CA 1.532 57.908 56.400 -0.040 0.000 0.806 343 E CB -0.003 29.603 29.700 -0.157 0.000 0.738 343 E HN 0.436 nan 8.360 nan 0.000 0.459 344 E N 0.632 120.886 120.200 0.089 0.000 2.265 344 E HA -0.157 4.207 4.350 0.023 0.000 0.196 344 E C 0.893 177.552 176.600 0.098 0.000 0.996 344 E CA 1.217 57.674 56.400 0.096 0.000 0.832 344 E CB 0.011 29.747 29.700 0.060 0.000 0.756 344 E HN 0.273 nan 8.360 nan 0.000 0.491 345 D N -0.032 120.430 120.400 0.103 0.000 2.342 345 D HA -0.020 4.633 4.640 0.023 0.000 0.221 345 D C 1.228 177.557 176.300 0.049 0.000 1.101 345 D CA 0.082 54.119 54.000 0.061 0.000 0.837 345 D CB 0.002 40.851 40.800 0.081 0.000 0.938 345 D HN 0.295 nan 8.370 nan 0.000 0.508 346 E N -0.044 120.142 120.200 -0.024 0.000 2.114 346 E HA -0.214 4.149 4.350 0.023 0.000 0.199 346 E C 0.545 176.815 176.600 -0.549 0.000 1.008 346 E CA 1.184 57.352 56.400 -0.387 0.000 0.810 346 E CB -0.028 29.274 29.700 -0.663 0.000 0.739 346 E HN 0.289 nan 8.360 nan 0.000 0.456 347 F N -0.284 119.685 119.950 0.031 0.000 2.641 347 F HA 0.257 4.798 4.527 0.023 0.000 0.302 347 F C 1.375 177.129 175.800 -0.075 0.000 1.098 347 F CA -0.218 57.776 58.000 -0.010 0.000 1.318 347 F CB 0.525 39.522 39.000 -0.004 0.000 1.035 347 F HN -0.168 nan 8.300 nan 0.000 0.551 348 K N 0.121 120.477 120.400 -0.072 0.000 2.487 348 K HA 0.093 4.426 4.320 0.023 0.000 0.192 348 K C -0.210 176.061 176.600 -0.549 0.000 1.027 348 K CA 0.376 56.474 56.287 -0.316 0.000 1.054 348 K CB 0.099 32.319 32.500 -0.466 0.000 0.824 348 K HN 0.158 nan 8.250 nan 0.000 0.510 349 F N 0.188 119.973 119.950 -0.274 0.000 2.509 349 F HA 0.139 4.680 4.527 0.023 0.000 0.334 349 F C 1.365 176.953 175.800 -0.353 0.000 1.060 349 F CA -0.977 56.749 58.000 -0.456 0.000 0.997 349 F CB 0.669 39.019 39.000 -1.084 0.000 1.271 349 F HN -0.214 nan 8.300 nan 0.000 0.488 350 D N 0.155 120.515 120.400 -0.066 0.000 2.264 350 D HA -0.050 4.604 4.640 0.023 0.000 0.208 350 D C -0.138 176.228 176.300 0.110 0.000 0.966 350 D CA 1.268 55.311 54.000 0.071 0.000 0.864 350 D CB -0.201 40.737 40.800 0.230 0.000 0.933 350 D HN 0.247 nan 8.370 nan 0.000 0.499 351 F N -0.957 119.074 119.950 0.136 0.000 2.575 351 F HA 0.468 5.009 4.527 0.023 0.000 0.330 351 F C 0.041 175.818 175.800 -0.038 0.000 1.056 351 F CA -1.656 56.344 58.000 -0.000 0.000 0.964 351 F CB 0.726 39.691 39.000 -0.059 0.000 1.258 351 F HN -0.392 nan 8.300 nan 0.000 0.484 352 D N 1.676 122.098 120.400 0.037 0.000 2.308 352 D HA 0.154 4.807 4.640 0.023 0.000 0.251 352 D C 0.981 177.227 176.300 -0.090 0.000 1.127 352 D CA 0.019 53.982 54.000 -0.063 0.000 0.876 352 D CB 1.403 42.145 40.800 -0.098 0.000 1.176 352 D HN 0.756 nan 8.370 nan 0.000 0.446 353 L N 3.401 124.514 121.223 -0.183 0.000 2.191 353 L HA -0.130 4.224 4.340 0.023 0.000 0.212 353 L C 1.947 178.680 176.870 -0.229 0.000 1.103 353 L CA 0.698 55.397 54.840 -0.237 0.000 0.769 353 L CB -0.066 41.707 42.059 -0.477 0.000 0.908 353 L HN 0.453 nan 8.230 nan 0.000 0.438 354 L N -1.065 120.047 121.223 -0.185 0.000 2.591 354 L HA 0.072 4.426 4.340 0.023 0.000 0.228 354 L C 0.340 177.150 176.870 -0.101 0.000 1.133 354 L CA -0.156 54.641 54.840 -0.071 0.000 0.880 354 L CB -0.279 41.828 42.059 0.080 0.000 1.033 354 L HN 0.073 nan 8.230 nan 0.000 0.450 355 D N 1.745 121.857 120.400 -0.481 0.000 2.347 355 D HA 0.134 4.788 4.640 0.023 0.000 0.235 355 D C -1.571 174.516 176.300 -0.355 0.000 1.149 355 D CA -2.290 51.215 54.000 -0.824 0.000 0.850 355 D CB 1.659 41.715 40.800 -1.241 0.000 1.061 355 D HN -0.082 nan 8.370 nan 0.000 0.487 356 P HA -0.042 nan 4.420 nan 0.000 0.241 356 P C 0.841 178.038 177.300 -0.172 0.000 1.191 356 P CA 0.594 63.615 63.100 -0.130 0.000 0.771 356 P CB 0.033 31.734 31.700 0.002 0.000 0.929 357 T N -4.266 110.182 114.554 -0.176 0.000 3.107 357 T HA 0.145 4.508 4.350 0.023 0.000 0.249 357 T C 0.737 175.319 174.700 -0.198 0.000 1.096 357 T CA -0.081 61.923 62.100 -0.160 0.000 1.012 357 T CB -0.207 68.620 68.868 -0.069 0.000 0.977 357 T HN -0.128 nan 8.240 nan 0.000 0.527 358 K N 2.200 122.377 120.400 -0.370 0.000 2.244 358 K HA 0.552 4.886 4.320 0.023 0.000 0.260 358 K C -0.263 176.070 176.600 -0.445 0.000 0.951 358 K CA -0.804 55.090 56.287 -0.655 0.000 0.826 358 K CB 2.138 34.129 32.500 -0.848 0.000 1.108 358 K HN 0.287 nan 8.250 nan 0.000 0.433 359 L N -0.177 120.947 121.223 -0.166 0.000 2.400 359 L HA 0.640 4.994 4.340 0.023 0.000 0.264 359 L C 0.069 176.738 176.870 -0.334 0.000 1.061 359 L CA -0.505 54.216 54.840 -0.198 0.000 0.799 359 L CB 0.210 42.242 42.059 -0.046 0.000 1.240 359 L HN 0.430 nan 8.230 nan 0.000 0.461 360 I N 1.149 121.628 120.570 -0.151 0.000 2.330 360 I HA 0.361 4.544 4.170 0.023 0.000 0.286 360 I C -2.165 173.994 176.117 0.070 0.000 1.025 360 I CA -1.731 59.551 61.300 -0.029 0.000 1.197 360 I CB 1.166 39.166 38.000 0.000 0.000 1.358 360 I HN 0.436 nan 8.210 nan 0.000 0.467 361 P HA 0.037 nan 4.420 nan 0.000 0.263 361 P C 0.359 177.745 177.300 0.143 0.000 1.195 361 P CA 0.106 63.278 63.100 0.120 0.000 0.762 361 P CB 0.581 32.347 31.700 0.111 0.000 0.799 362 E N 2.030 122.316 120.200 0.144 0.000 2.204 362 E HA -0.203 4.161 4.350 0.023 0.000 0.195 362 E C 1.331 177.994 176.600 0.104 0.000 0.990 362 E CA 0.838 57.308 56.400 0.117 0.000 0.821 362 E CB 0.006 29.774 29.700 0.114 0.000 0.750 362 E HN 0.514 nan 8.360 nan 0.000 0.477 363 E N 0.255 120.518 120.200 0.105 0.000 2.265 363 E HA -0.136 4.228 4.350 0.023 0.000 0.196 363 E C 1.987 178.655 176.600 0.113 0.000 0.996 363 E CA 0.709 57.166 56.400 0.094 0.000 0.832 363 E CB 0.109 29.858 29.700 0.081 0.000 0.756 363 E HN 0.381 nan 8.360 nan 0.000 0.491 364 L N -0.555 120.761 121.223 0.155 0.000 2.200 364 L HA 0.083 4.436 4.340 0.023 0.000 0.200 364 L C 0.620 177.610 176.870 0.201 0.000 1.072 364 L CA 0.405 55.370 54.840 0.207 0.000 0.787 364 L CB 0.463 42.726 42.059 0.340 0.000 0.957 364 L HN -0.212 nan 8.230 nan 0.000 0.459 365 V N 1.671 121.690 119.914 0.175 0.000 2.462 365 V HA 0.314 4.448 4.120 0.023 0.000 0.288 365 V C -2.385 173.764 176.094 0.092 0.000 1.020 365 V CA -1.431 60.956 62.300 0.145 0.000 0.857 365 V CB 1.629 33.544 31.823 0.153 0.000 1.013 365 V HN -0.026 nan 8.190 nan 0.000 0.431 366 P HA 0.179 nan 4.420 nan 0.000 0.272 366 P C -0.333 176.970 177.300 0.006 0.000 1.223 366 P CA -0.006 63.118 63.100 0.039 0.000 0.784 366 P CB 1.323 33.048 31.700 0.043 0.000 0.923 367 V N 3.798 123.682 119.914 -0.051 0.000 2.455 367 V HA 0.071 4.204 4.120 0.023 0.000 0.273 367 V C 0.828 176.913 176.094 -0.015 0.000 1.045 367 V CA 0.058 62.293 62.300 -0.108 0.000 0.976 367 V CB 0.014 31.678 31.823 -0.266 0.000 0.993 367 V HN 0.465 nan 8.190 nan 0.000 0.475 368 Q N 5.158 124.973 119.800 0.025 0.000 2.303 368 Q HA 0.424 4.778 4.340 0.023 0.000 0.257 368 Q C -0.277 175.724 176.000 0.001 0.000 0.941 368 Q CA -0.590 55.231 55.803 0.031 0.000 0.931 368 Q CB 1.592 30.363 28.738 0.055 0.000 1.215 368 Q HN 0.600 nan 8.270 nan 0.000 0.437 369 R N 1.287 121.812 120.500 0.041 0.000 2.538 369 R HA 0.006 4.360 4.340 0.023 0.000 0.282 369 R C 0.454 176.794 176.300 0.066 0.000 1.009 369 R CA 0.036 56.202 56.100 0.111 0.000 1.063 369 R CB 0.441 30.867 30.300 0.210 0.000 0.945 369 R HN 0.462 nan 8.270 nan 0.000 0.414 370 V N 1.284 121.142 119.914 -0.093 0.000 3.250 370 V HA 0.319 4.453 4.120 0.023 0.000 0.240 370 V C 0.764 176.597 176.094 -0.435 0.000 1.275 370 V CA 0.964 63.080 62.300 -0.308 0.000 1.206 370 V CB 1.027 32.394 31.823 -0.760 0.000 0.976 370 V HN 1.009 nan 8.190 nan 0.000 0.467 371 G N -0.196 108.231 108.800 -0.622 0.000 2.441 371 G HA2 0.497 4.471 3.960 0.023 0.000 0.294 371 G HA3 0.497 4.471 3.960 0.023 0.000 0.294 371 G C -1.881 172.680 174.900 -0.565 0.000 1.393 371 G CA -0.566 43.920 45.100 -1.024 0.000 0.796 371 G HN 0.049 nan 8.290 nan 0.000 0.494 372 K N -0.323 119.759 120.400 -0.529 0.000 2.397 372 K HA 0.719 5.053 4.320 0.023 0.000 0.253 372 K C -0.828 175.794 176.600 0.037 0.000 0.932 372 K CA -0.771 55.487 56.287 -0.049 0.000 0.795 372 K CB 1.947 34.472 32.500 0.040 0.000 1.159 372 K HN 0.576 nan 8.250 nan 0.000 0.424 373 M N 4.989 124.743 119.600 0.257 0.000 2.227 373 M HA 0.387 4.880 4.480 0.023 0.000 0.335 373 M C -1.721 174.548 176.300 -0.052 0.000 1.053 373 M CA -0.738 54.656 55.300 0.156 0.000 0.973 373 M CB 1.551 34.254 32.600 0.172 0.000 1.623 373 M HN 0.351 nan 8.290 nan 0.000 0.434 374 V N 5.841 125.558 119.914 -0.328 0.000 2.487 374 V HA 0.459 4.593 4.120 0.023 0.000 0.298 374 V C -0.897 175.067 176.094 -0.217 0.000 1.028 374 V CA -0.849 61.280 62.300 -0.284 0.000 0.860 374 V CB 1.698 33.262 31.823 -0.431 0.000 0.991 374 V HN 0.657 nan 8.190 nan 0.000 0.427 375 L N 5.888 127.069 121.223 -0.070 0.000 2.264 375 L HA 0.494 4.847 4.340 0.023 0.000 0.287 375 L C 0.649 177.435 176.870 -0.141 0.000 1.039 375 L CA 0.093 54.898 54.840 -0.057 0.000 0.829 375 L CB 0.971 43.049 42.059 0.031 0.000 1.211 375 L HN 0.877 nan 8.230 nan 0.000 0.427 376 N N 2.433 120.963 118.700 -0.284 0.000 2.241 376 N HA 0.169 4.922 4.740 0.023 0.000 0.238 376 N C 0.014 175.336 175.510 -0.313 0.000 1.244 376 N CA -0.272 52.362 53.050 -0.694 0.000 0.880 376 N CB 0.772 38.508 38.487 -1.252 0.000 1.179 376 N HN 0.404 nan 8.380 nan 0.000 0.513 377 R N 0.107 120.537 120.500 -0.118 0.000 2.561 377 R HA 0.295 4.649 4.340 0.023 0.000 0.266 377 R C -1.268 174.995 176.300 -0.062 0.000 1.091 377 R CA -0.560 55.493 56.100 -0.079 0.000 0.927 377 R CB 1.345 31.608 30.300 -0.061 0.000 1.240 377 R HN 0.061 nan 8.270 nan 0.000 0.449 378 N N 2.782 121.327 118.700 -0.260 0.000 2.445 378 N HA 0.320 5.074 4.740 0.023 0.000 0.264 378 N C -2.269 173.216 175.510 -0.042 0.000 1.227 378 N CA -1.245 51.530 53.050 -0.459 0.000 0.963 378 N CB 0.518 38.057 38.487 -1.579 0.000 1.188 378 N HN 0.310 nan 8.380 nan 0.000 0.491 379 P HA 0.115 nan 4.420 nan 0.000 0.275 379 P C 0.130 177.625 177.300 0.324 0.000 1.270 379 P CA -0.050 63.268 63.100 0.363 0.000 0.791 379 P CB 0.992 32.946 31.700 0.422 0.000 1.089 380 D N -1.383 119.180 120.400 0.272 0.000 2.369 380 D HA -0.006 4.648 4.640 0.023 0.000 0.231 380 D C 0.383 176.854 176.300 0.286 0.000 0.967 380 D CA 1.190 55.339 54.000 0.247 0.000 0.905 380 D CB 0.179 41.064 40.800 0.141 0.000 1.044 380 D HN 0.369 nan 8.370 nan 0.000 0.487 381 N N 0.014 118.872 118.700 0.263 0.000 2.448 381 N HA 0.021 4.774 4.740 0.023 0.000 0.279 381 N C 0.098 175.804 175.510 0.327 0.000 1.025 381 N CA -0.313 52.902 53.050 0.276 0.000 0.898 381 N CB 1.546 40.161 38.487 0.214 0.000 1.303 381 N HN -0.156 nan 8.380 nan 0.000 0.495 382 F N 4.331 124.423 119.950 0.237 0.000 2.095 382 F HA -0.195 4.345 4.527 0.022 0.000 0.298 382 F C 1.647 177.571 175.800 0.208 0.000 1.104 382 F CA 1.552 59.692 58.000 0.233 0.000 1.232 382 F CB -0.109 38.999 39.000 0.181 0.000 0.987 382 F HN 0.604 nan 8.300 nan 0.000 0.475 383 F N 0.770 120.915 119.950 0.325 0.000 2.075 383 F HA -0.143 4.398 4.527 0.024 0.000 0.297 383 F C 2.345 178.185 175.800 0.067 0.000 1.113 383 F CA 1.795 59.914 58.000 0.198 0.000 1.218 383 F CB -1.017 38.090 39.000 0.179 0.000 0.984 383 F HN -0.010 nan 8.300 nan 0.000 0.472 384 A N -0.252 122.722 122.820 0.257 0.000 1.902 384 A HA -0.183 4.150 4.320 0.023 0.000 0.217 384 A C 2.071 179.599 177.584 -0.093 0.000 1.181 384 A CA 2.088 54.180 52.037 0.092 0.000 0.623 384 A CB -0.726 18.363 19.000 0.149 0.000 0.818 384 A HN 0.602 nan 8.150 nan 0.000 0.443 385 E N -1.282 118.867 120.200 -0.086 0.000 2.132 385 E HA -0.065 4.299 4.350 0.023 0.000 0.193 385 E C 2.022 178.521 176.600 -0.168 0.000 0.951 385 E CA 0.494 56.772 56.400 -0.203 0.000 0.843 385 E CB -0.158 29.456 29.700 -0.145 0.000 0.807 385 E HN 0.569 nan 8.360 nan 0.000 0.467 386 N N 1.382 119.992 118.700 -0.150 0.000 2.124 386 N HA -0.171 4.582 4.740 0.023 0.000 0.188 386 N C 1.856 177.185 175.510 -0.302 0.000 1.045 386 N CA 1.421 54.331 53.050 -0.234 0.000 0.846 386 N CB -0.015 37.946 38.487 -0.875 0.000 1.020 386 N HN -0.063 nan 8.380 nan 0.000 0.432 387 E N 0.763 120.699 120.200 -0.440 0.000 2.070 387 E HA -0.156 4.208 4.350 0.023 0.000 0.197 387 E C 1.590 177.969 176.600 -0.369 0.000 1.004 387 E CA 1.658 57.849 56.400 -0.348 0.000 0.805 387 E CB -0.186 29.279 29.700 -0.391 0.000 0.744 387 E HN 0.527 nan 8.360 nan 0.000 0.451 388 Q N -0.326 119.209 119.800 -0.442 0.000 2.403 388 Q HA 0.269 4.622 4.340 0.023 0.000 0.203 388 Q C -0.142 175.738 176.000 -0.200 0.000 0.932 388 Q CA 0.137 55.751 55.803 -0.315 0.000 0.945 388 Q CB 0.572 29.125 28.738 -0.308 0.000 1.045 388 Q HN 0.212 nan 8.270 nan 0.000 0.511 389 A N 1.277 123.991 122.820 -0.175 0.000 2.511 389 A HA 0.446 4.779 4.320 0.023 0.000 0.242 389 A C -0.057 177.396 177.584 -0.218 0.000 1.069 389 A CA 0.119 52.026 52.037 -0.216 0.000 0.763 389 A CB 0.224 19.168 19.000 -0.093 0.000 1.001 389 A HN 0.295 nan 8.150 nan 0.000 0.498 390 A N 2.869 125.524 122.820 -0.275 0.000 2.310 390 A HA 0.690 5.023 4.320 0.023 0.000 0.304 390 A C -0.682 176.797 177.584 -0.175 0.000 1.231 390 A CA -0.428 51.520 52.037 -0.148 0.000 0.799 390 A CB 0.128 19.070 19.000 -0.096 0.000 1.162 390 A HN 0.641 nan 8.150 nan 0.000 0.486 391 F N 1.535 121.486 119.950 0.002 0.000 2.425 391 F HA 0.630 5.170 4.527 0.023 0.000 0.331 391 F C 0.459 176.213 175.800 -0.076 0.000 1.085 391 F CA -0.192 57.787 58.000 -0.034 0.000 1.028 391 F CB 1.710 40.644 39.000 -0.110 0.000 1.177 391 F HN 0.671 nan 8.300 nan 0.000 0.487 392 H N 3.584 122.511 119.070 -0.238 0.000 3.083 392 H HA 0.279 4.849 4.556 0.023 0.000 0.339 392 H C -2.431 172.537 175.328 -0.600 0.000 1.020 392 H CA -2.816 52.831 56.048 -0.669 0.000 1.360 392 H CB 2.499 31.658 29.762 -1.006 0.000 1.811 392 H HN 0.173 nan 8.280 nan 0.000 0.493 393 P HA -0.037 nan 4.420 nan 0.000 0.225 393 P C 1.164 178.398 177.300 -0.110 0.000 1.148 393 P CA 1.353 64.316 63.100 -0.229 0.000 0.779 393 P CB 0.091 31.684 31.700 -0.178 0.000 0.780 394 G N -1.390 107.051 108.800 -0.598 0.000 2.650 394 G HA2 -0.124 3.849 3.960 0.023 0.000 0.214 394 G HA3 -0.124 3.849 3.960 0.023 0.000 0.214 394 G C 0.420 175.229 174.900 -0.153 0.000 1.136 394 G CA -0.051 44.814 45.100 -0.392 0.000 0.789 394 G HN 0.415 nan 8.290 nan 0.000 0.536 395 H N 0.853 119.747 119.070 -0.293 0.000 3.224 395 H HA 0.332 4.902 4.556 0.022 0.000 0.265 395 H C 0.473 175.826 175.328 0.041 0.000 1.461 395 H CA -0.709 55.270 56.048 -0.114 0.000 1.509 395 H CB -0.080 29.633 29.762 -0.082 0.000 1.686 395 H HN 0.364 nan 8.280 nan 0.000 0.514 396 I N -0.276 120.359 120.570 0.108 0.000 3.133 396 I HA 0.678 4.862 4.170 0.023 0.000 0.311 396 I C -0.177 175.908 176.117 -0.054 0.000 1.072 396 I CA -1.429 59.890 61.300 0.032 0.000 1.015 396 I CB 1.951 39.850 38.000 -0.168 0.000 1.233 396 I HN 0.111 nan 8.210 nan 0.000 0.473 397 V N -1.692 118.178 119.914 -0.073 0.000 3.074 397 V HA 0.668 4.802 4.120 0.023 0.000 0.314 397 V C -2.799 173.367 176.094 0.120 0.000 1.117 397 V CA -2.627 59.687 62.300 0.024 0.000 1.014 397 V CB 0.994 32.817 31.823 -0.001 0.000 1.057 397 V HN 0.646 nan 8.190 nan 0.000 0.438 398 P HA 0.296 nan 4.420 nan 0.000 0.258 398 P C 0.898 178.187 177.300 -0.018 0.000 1.172 398 P CA 2.009 65.172 63.100 0.106 0.000 0.762 398 P CB 0.318 32.063 31.700 0.075 0.000 0.764 399 G N 1.843 110.586 108.800 -0.095 0.000 2.229 399 G HA2 -0.136 3.838 3.960 0.023 0.000 0.189 399 G HA3 -0.136 3.838 3.960 0.023 0.000 0.189 399 G C -0.295 174.506 174.900 -0.164 0.000 1.000 399 G CA -0.489 44.535 45.100 -0.127 0.000 0.663 399 G HN 0.456 nan 8.290 nan 0.000 0.493 400 L N -0.023 121.111 121.223 -0.147 0.000 2.309 400 L HA 0.906 5.260 4.340 0.023 0.000 0.261 400 L C -0.792 176.001 176.870 -0.128 0.000 1.021 400 L CA -1.038 53.695 54.840 -0.179 0.000 0.823 400 L CB 2.276 44.156 42.059 -0.299 0.000 1.366 400 L HN 0.102 nan 8.230 nan 0.000 0.423 401 D N -0.692 119.633 120.400 -0.125 0.000 2.671 401 D HA 0.413 5.067 4.640 0.023 0.000 0.273 401 D C -1.252 175.019 176.300 -0.048 0.000 1.264 401 D CA -0.355 53.547 54.000 -0.164 0.000 0.788 401 D CB 1.889 42.669 40.800 -0.034 0.000 1.324 401 D HN 0.113 nan 8.370 nan 0.000 0.424 402 F N -0.065 120.018 119.950 0.220 0.000 2.291 402 F HA 0.499 5.040 4.527 0.023 0.000 0.305 402 F C 1.549 177.382 175.800 0.054 0.000 1.171 402 F CA -0.123 57.942 58.000 0.109 0.000 1.090 402 F CB 1.049 40.087 39.000 0.062 0.000 1.436 402 F HN 0.217 nan 8.300 nan 0.000 0.509 403 T N -3.251 111.407 114.554 0.172 0.000 2.804 403 T HA 0.305 4.669 4.350 0.023 0.000 0.290 403 T C -0.103 174.632 174.700 0.058 0.000 1.099 403 T CA -0.987 61.190 62.100 0.129 0.000 1.011 403 T CB 1.260 70.188 68.868 0.100 0.000 1.291 403 T HN 0.332 nan 8.240 nan 0.000 0.523 404 N N 1.062 119.802 118.700 0.068 0.000 2.461 404 N HA 0.066 4.820 4.740 0.023 0.000 0.188 404 N C 0.074 175.597 175.510 0.022 0.000 1.134 404 N CA 0.079 53.153 53.050 0.040 0.000 0.878 404 N CB -0.408 38.119 38.487 0.068 0.000 0.972 404 N HN 0.707 nan 8.380 nan 0.000 0.456 405 D N 2.166 122.568 120.400 0.004 0.000 2.662 405 D HA -0.084 4.570 4.640 0.023 0.000 0.233 405 D C -1.413 174.892 176.300 0.009 0.000 1.129 405 D CA -0.851 53.179 54.000 0.050 0.000 0.851 405 D CB 1.306 42.090 40.800 -0.026 0.000 1.152 405 D HN 0.142 nan 8.370 nan 0.000 0.507 406 P HA -0.102 nan 4.420 nan 0.000 0.225 406 P C 1.583 178.897 177.300 0.023 0.000 1.156 406 P CA 0.151 63.264 63.100 0.023 0.000 0.787 406 P CB 0.389 32.092 31.700 0.004 0.000 0.802 407 L N -0.215 121.049 121.223 0.068 0.000 2.049 407 L HA -0.027 4.327 4.340 0.023 0.000 0.203 407 L C 2.385 179.197 176.870 -0.096 0.000 1.074 407 L CA 1.348 56.225 54.840 0.063 0.000 0.749 407 L CB -1.662 40.511 42.059 0.190 0.000 0.907 407 L HN -0.180 nan 8.230 nan 0.000 0.439 408 L N -0.308 120.709 121.223 -0.344 0.000 1.990 408 L HA -0.266 4.088 4.340 0.023 0.000 0.213 408 L C 2.498 179.151 176.870 -0.363 0.000 1.072 408 L CA 1.903 56.323 54.840 -0.700 0.000 0.755 408 L CB -1.012 40.394 42.059 -1.087 0.000 0.889 408 L HN 0.403 nan 8.230 nan 0.000 0.432 409 Q N -0.256 119.393 119.800 -0.252 0.000 2.112 409 Q HA -0.191 4.163 4.340 0.023 0.000 0.206 409 Q C 2.082 178.013 176.000 -0.115 0.000 0.987 409 Q CA 1.865 57.556 55.803 -0.187 0.000 0.858 409 Q CB -0.816 27.854 28.738 -0.114 0.000 0.905 409 Q HN 0.735 nan 8.270 nan 0.000 0.420 410 G N 0.269 109.031 108.800 -0.064 0.000 2.430 410 G HA2 -0.177 3.797 3.960 0.023 0.000 0.216 410 G HA3 -0.177 3.797 3.960 0.023 0.000 0.216 410 G C 1.513 176.442 174.900 0.049 0.000 1.146 410 G CA 0.025 45.131 45.100 0.010 0.000 0.793 410 G HN 0.226 nan 8.290 nan 0.000 0.537 411 R N -0.038 120.450 120.500 -0.021 0.000 2.105 411 R HA 0.007 4.361 4.340 0.023 0.000 0.239 411 R C 2.477 178.886 176.300 0.183 0.000 1.135 411 R CA 0.930 57.080 56.100 0.083 0.000 0.967 411 R CB -0.478 29.833 30.300 0.018 0.000 0.861 411 R HN 0.353 nan 8.270 nan 0.000 0.442 412 L N -0.468 120.776 121.223 0.034 0.000 2.187 412 L HA -0.187 4.166 4.340 0.023 0.000 0.213 412 L C 2.258 179.241 176.870 0.188 0.000 1.100 412 L CA 1.061 55.933 54.840 0.054 0.000 0.765 412 L CB -0.454 41.452 42.059 -0.254 0.000 0.904 412 L HN 0.149 nan 8.230 nan 0.000 0.437 413 F N 0.080 120.045 119.950 0.025 0.000 2.187 413 F HA -0.142 4.399 4.527 0.023 0.000 0.295 413 F C 2.768 178.566 175.800 -0.004 0.000 1.091 413 F CA 1.441 59.452 58.000 0.018 0.000 1.308 413 F CB -0.193 38.802 39.000 -0.007 0.000 1.030 413 F HN -0.070 nan 8.300 nan 0.000 0.487 414 S N -0.633 115.011 115.700 -0.093 0.000 2.355 414 S HA -0.217 4.266 4.470 0.023 0.000 0.222 414 S C 2.075 176.422 174.600 -0.423 0.000 1.031 414 S CA 1.591 59.633 58.200 -0.264 0.000 0.993 414 S CB -0.762 62.343 63.200 -0.158 0.000 0.859 414 S HN 0.538 nan 8.310 nan 0.000 0.453 415 Y N 1.701 121.693 120.300 -0.513 0.000 2.181 415 Y HA -0.110 4.454 4.550 0.023 0.000 0.288 415 Y C 3.028 178.487 175.900 -0.735 0.000 1.146 415 Y CA 1.635 59.320 58.100 -0.692 0.000 1.164 415 Y CB -1.037 36.809 38.460 -1.023 0.000 0.982 415 Y HN 0.258 nan 8.280 nan 0.000 0.515 416 T N -0.430 113.764 114.554 -0.600 0.000 2.652 416 T HA -0.261 4.103 4.350 0.023 0.000 0.267 416 T C 1.433 175.939 174.700 -0.325 0.000 1.039 416 T CA 1.790 63.694 62.100 -0.328 0.000 1.153 416 T CB -0.572 68.219 68.868 -0.130 0.000 0.863 416 T HN 0.379 nan 8.240 nan 0.000 0.428 417 D N 0.405 120.542 120.400 -0.438 0.000 2.092 417 D HA -0.130 4.523 4.640 0.023 0.000 0.193 417 D C 2.329 178.464 176.300 -0.275 0.000 0.994 417 D CA 1.777 55.544 54.000 -0.389 0.000 0.828 417 D CB -0.552 39.872 40.800 -0.627 0.000 0.963 417 D HN 0.265 nan 8.370 nan 0.000 0.450 418 T N -1.048 113.326 114.554 -0.300 0.000 2.788 418 T HA -0.161 4.202 4.350 0.023 0.000 0.268 418 T C 1.861 176.422 174.700 -0.231 0.000 1.044 418 T CA 1.504 63.466 62.100 -0.231 0.000 1.139 418 T CB -0.236 68.480 68.868 -0.254 0.000 0.867 418 T HN 0.238 nan 8.240 nan 0.000 0.454 419 Q N -0.117 119.479 119.800 -0.339 0.000 2.224 419 Q HA -0.021 4.333 4.340 0.023 0.000 0.203 419 Q C 2.150 177.972 176.000 -0.297 0.000 0.970 419 Q CA 0.868 56.407 55.803 -0.441 0.000 0.865 419 Q CB -0.077 28.134 28.738 -0.878 0.000 0.922 419 Q HN 0.460 nan 8.270 nan 0.000 0.445 420 I N 0.436 120.905 120.570 -0.168 0.000 2.286 420 I HA -0.229 3.954 4.170 0.023 0.000 0.248 420 I C 2.430 178.543 176.117 -0.007 0.000 1.115 420 I CA 1.670 62.959 61.300 -0.019 0.000 1.392 420 I CB -1.346 36.656 38.000 0.004 0.000 1.065 420 I HN 0.219 nan 8.210 nan 0.000 0.418 421 S N 0.334 116.011 115.700 -0.039 0.000 2.404 421 S HA -0.078 4.406 4.470 0.023 0.000 0.223 421 S C 2.195 176.790 174.600 -0.007 0.000 1.040 421 S CA 0.231 58.425 58.200 -0.010 0.000 0.957 421 S CB -0.368 62.825 63.200 -0.012 0.000 0.826 421 S HN 0.290 nan 8.310 nan 0.000 0.491 422 R N 0.995 121.469 120.500 -0.043 0.000 2.083 422 R HA 0.103 4.456 4.340 0.023 0.000 0.237 422 R C 1.388 177.683 176.300 -0.008 0.000 1.137 422 R CA 1.628 57.708 56.100 -0.034 0.000 0.951 422 R CB -0.376 29.878 30.300 -0.076 0.000 0.851 422 R HN 0.472 nan 8.270 nan 0.000 0.434 423 L N -0.453 120.758 121.223 -0.019 0.000 2.741 423 L HA 0.313 4.666 4.340 0.023 0.000 0.237 423 L C 0.887 177.846 176.870 0.148 0.000 1.178 423 L CA 0.273 55.137 54.840 0.040 0.000 0.973 423 L CB 0.892 42.962 42.059 0.018 0.000 1.255 423 L HN 0.599 nan 8.230 nan 0.000 0.498 424 G N -0.135 108.753 108.800 0.146 0.000 2.162 424 G HA2 -0.139 3.835 3.960 0.023 0.000 0.260 424 G HA3 -0.139 3.835 3.960 0.023 0.000 0.260 424 G C 0.463 175.465 174.900 0.169 0.000 0.976 424 G CA 0.053 45.286 45.100 0.221 0.000 0.655 424 G HN 0.806 nan 8.290 nan 0.000 0.533 425 G N -1.736 107.171 108.800 0.177 0.000 2.343 425 G HA2 0.593 4.567 3.960 0.023 0.000 0.289 425 G HA3 0.593 4.567 3.960 0.023 0.000 0.289 425 G C -2.348 172.720 174.900 0.280 0.000 1.295 425 G CA 0.364 45.557 45.100 0.155 0.000 0.869 425 G HN 0.463 nan 8.290 nan 0.000 0.522 426 P HA 0.158 nan 4.420 nan 0.000 0.255 426 P C 0.170 177.523 177.300 0.090 0.000 1.248 426 P CA 0.261 63.512 63.100 0.252 0.000 0.807 426 P CB 0.266 32.058 31.700 0.154 0.000 1.150 427 N N 0.453 119.183 118.700 0.050 0.000 2.376 427 N HA 0.085 4.839 4.740 0.023 0.000 0.249 427 N C 0.909 176.235 175.510 -0.307 0.000 1.140 427 N CA -0.210 52.718 53.050 -0.202 0.000 0.870 427 N CB -0.515 37.905 38.487 -0.112 0.000 1.124 427 N HN 0.258 nan 8.380 nan 0.000 0.505 428 F N 0.328 120.261 119.950 -0.029 0.000 2.604 428 F HA -0.000 4.539 4.527 0.021 0.000 0.298 428 F C 2.150 177.898 175.800 -0.087 0.000 1.131 428 F CA 0.561 58.530 58.000 -0.051 0.000 1.457 428 F CB -0.626 38.374 39.000 -0.001 0.000 1.095 428 F HN 0.165 nan 8.300 nan 0.000 0.574 429 H N 0.282 118.978 119.070 -0.623 0.000 2.547 429 H HA 0.110 4.680 4.556 0.023 0.000 0.272 429 H C 0.791 175.956 175.328 -0.271 0.000 0.989 429 H CA 1.191 56.973 56.048 -0.444 0.000 1.214 429 H CB -0.636 28.739 29.762 -0.646 0.000 1.389 429 H HN 0.505 nan 8.280 nan 0.000 0.577 430 E N 1.039 120.862 120.200 -0.629 0.000 2.478 430 E HA 0.179 4.542 4.350 0.023 0.000 0.194 430 E C 0.306 176.794 176.600 -0.187 0.000 1.045 430 E CA -0.254 55.925 56.400 -0.369 0.000 0.868 430 E CB 0.525 30.007 29.700 -0.364 0.000 0.885 430 E HN 0.429 nan 8.360 nan 0.000 0.505 431 I N 2.659 123.141 120.570 -0.148 0.000 2.618 431 I HA -0.035 4.149 4.170 0.023 0.000 0.284 431 I C -1.536 174.522 176.117 -0.098 0.000 1.146 431 I CA -1.653 59.589 61.300 -0.097 0.000 1.425 431 I CB 0.594 38.553 38.000 -0.068 0.000 1.383 431 I HN -0.181 nan 8.210 nan 0.000 0.562 432 P HA -0.271 nan 4.420 nan 0.000 0.216 432 P C 1.753 178.978 177.300 -0.125 0.000 1.167 432 P CA 1.375 64.416 63.100 -0.099 0.000 0.914 432 P CB 0.140 31.787 31.700 -0.087 0.000 0.793 433 I N -0.795 119.675 120.570 -0.167 0.000 2.315 433 I HA -0.230 3.954 4.170 0.023 0.000 0.251 433 I C 1.359 177.401 176.117 -0.124 0.000 1.125 433 I CA 1.789 62.942 61.300 -0.245 0.000 1.392 433 I CB -0.714 37.026 38.000 -0.433 0.000 1.065 433 I HN -0.094 nan 8.210 nan 0.000 0.424 434 N N 0.538 119.185 118.700 -0.087 0.000 2.422 434 N HA 0.036 4.790 4.740 0.023 0.000 0.181 434 N C 0.327 175.853 175.510 0.027 0.000 1.080 434 N CA 0.217 53.251 53.050 -0.026 0.000 0.893 434 N CB -0.109 38.378 38.487 -0.001 0.000 0.973 434 N HN 0.389 nan 8.380 nan 0.000 0.456 435 R N 1.530 122.032 120.500 0.003 0.000 2.590 435 R HA 0.156 4.509 4.340 0.023 0.000 0.274 435 R C -2.229 174.117 176.300 0.076 0.000 1.061 435 R CA -1.210 54.889 56.100 -0.001 0.000 1.081 435 R CB -0.123 30.161 30.300 -0.027 0.000 0.984 435 R HN 0.020 nan 8.270 nan 0.000 0.448 436 P HA -0.027 nan 4.420 nan 0.000 0.269 436 P C 0.513 177.862 177.300 0.083 0.000 1.209 436 P CA 0.094 63.250 63.100 0.094 0.000 0.776 436 P CB 0.684 32.404 31.700 0.033 0.000 0.876 437 T N -2.393 112.220 114.554 0.098 0.000 3.065 437 T HA 0.057 4.420 4.350 0.023 0.000 0.252 437 T C 0.903 175.636 174.700 0.056 0.000 1.099 437 T CA 0.039 62.160 62.100 0.034 0.000 1.063 437 T CB -0.960 67.913 68.868 0.008 0.000 0.948 437 T HN 0.579 nan 8.240 nan 0.000 0.506 438 C N 1.233 120.582 119.300 0.081 0.000 2.347 438 C HA 0.771 5.245 4.460 0.023 0.000 0.366 438 C C -2.486 172.558 174.990 0.089 0.000 1.241 438 C CA -2.571 56.495 59.018 0.080 0.000 2.360 438 C CB 0.114 27.906 27.740 0.086 0.000 2.290 438 C HN 0.163 nan 8.230 nan 0.000 0.587 439 P HA 0.280 nan 4.420 nan 0.000 0.268 439 P C -1.211 176.161 177.300 0.120 0.000 1.205 439 P CA 0.480 63.644 63.100 0.106 0.000 0.771 439 P CB -0.059 31.742 31.700 0.168 0.000 0.858 440 Y N 0.822 121.014 120.300 -0.179 0.000 2.386 440 Y HA 0.668 5.232 4.550 0.022 0.000 0.334 440 Y C -1.419 174.181 175.900 -0.500 0.000 1.002 440 Y CA -0.957 57.018 58.100 -0.208 0.000 1.068 440 Y CB 1.385 39.738 38.460 -0.178 0.000 1.203 440 Y HN 0.423 nan 8.280 nan 0.000 0.443 441 H N 3.700 122.659 119.070 -0.185 0.000 2.947 441 H HA 0.548 5.118 4.556 0.023 0.000 0.354 441 H C -1.132 174.074 175.328 -0.203 0.000 1.085 441 H CA -0.808 55.049 56.048 -0.318 0.000 1.253 441 H CB 1.708 31.314 29.762 -0.260 0.000 1.757 441 H HN 0.894 nan 8.280 nan 0.000 0.523 442 N N 0.282 118.875 118.700 -0.178 0.000 3.526 442 N HA 0.215 4.968 4.740 0.023 0.000 0.328 442 N C -1.141 174.152 175.510 -0.362 0.000 1.601 442 N CA -0.893 52.028 53.050 -0.215 0.000 0.834 442 N CB 0.764 39.268 38.487 0.030 0.000 1.983 442 N HN 0.303 nan 8.380 nan 0.000 0.579 443 F N -0.369 119.625 119.950 0.072 0.000 2.639 443 F HA 0.371 4.912 4.527 0.022 0.000 0.302 443 F C 0.290 176.136 175.800 0.077 0.000 1.097 443 F CA -0.380 57.660 58.000 0.066 0.000 1.294 443 F CB 0.255 39.291 39.000 0.060 0.000 1.027 443 F HN 0.126 nan 8.300 nan 0.000 0.550 444 Q N 1.825 121.740 119.800 0.192 0.000 2.332 444 Q HA 0.363 4.716 4.340 0.023 0.000 0.263 444 Q C 0.071 176.153 176.000 0.137 0.000 0.979 444 Q CA 0.046 55.942 55.803 0.154 0.000 0.885 444 Q CB 1.035 29.846 28.738 0.121 0.000 1.218 444 Q HN 0.106 nan 8.270 nan 0.000 0.405 445 R N 1.772 122.346 120.500 0.124 0.000 2.867 445 R HA 0.362 4.715 4.340 0.023 0.000 0.268 445 R C -0.475 175.876 176.300 0.086 0.000 1.014 445 R CA -0.655 55.507 56.100 0.104 0.000 0.946 445 R CB 1.118 31.482 30.300 0.105 0.000 1.208 445 R HN 0.706 nan 8.270 nan 0.000 0.477 446 D N -0.169 120.272 120.400 0.070 0.000 3.301 446 D HA -0.199 4.455 4.640 0.023 0.000 0.217 446 D C 0.423 176.753 176.300 0.049 0.000 1.548 446 D CA 2.023 56.055 54.000 0.053 0.000 1.118 446 D CB -1.060 39.768 40.800 0.046 0.000 0.684 446 D HN 0.896 nan 8.370 nan 0.000 0.821 447 G N -1.482 107.338 108.800 0.034 0.000 2.690 447 G HA2 0.209 4.183 3.960 0.023 0.000 0.686 447 G HA3 0.209 4.183 3.960 0.023 0.000 0.686 447 G C -0.323 174.573 174.900 -0.007 0.000 1.277 447 G CA 0.026 45.141 45.100 0.025 0.000 0.799 447 G HN 0.779 nan 8.290 nan 0.000 0.613 448 M N 1.478 121.046 119.600 -0.055 0.000 2.250 448 M HA 0.461 4.954 4.480 0.023 0.000 0.337 448 M C 1.266 177.498 176.300 -0.112 0.000 1.161 448 M CA 1.377 56.570 55.300 -0.178 0.000 1.088 448 M CB -0.728 31.657 32.600 -0.358 0.000 1.639 448 M HN 1.252 nan 8.290 nan 0.000 0.447 449 H N -0.226 118.849 119.070 0.007 0.000 2.886 449 H HA -0.165 4.404 4.556 0.022 0.000 0.294 449 H C -0.498 174.818 175.328 -0.020 0.000 1.246 449 H CA 0.392 56.439 56.048 -0.003 0.000 1.142 449 H CB -1.549 28.214 29.762 0.001 0.000 1.358 449 H HN 0.579 nan 8.280 nan 0.000 0.406 450 R N 1.522 122.065 120.500 0.071 0.000 2.296 450 R HA 0.132 4.486 4.340 0.023 0.000 0.323 450 R C 0.901 177.216 176.300 0.024 0.000 1.067 450 R CA -0.072 56.049 56.100 0.034 0.000 0.946 450 R CB 0.353 30.673 30.300 0.033 0.000 0.991 450 R HN 0.328 nan 8.270 nan 0.000 0.448 451 M N 2.444 122.045 119.600 0.001 0.000 2.556 451 M HA 0.234 4.728 4.480 0.023 0.000 0.264 451 M C 0.935 177.235 176.300 -0.001 0.000 1.163 451 M CA 0.798 56.096 55.300 -0.004 0.000 1.186 451 M CB -0.669 31.915 32.600 -0.027 0.000 1.321 451 M HN 0.679 nan 8.290 nan 0.000 0.485 452 G N 2.315 111.119 108.800 0.006 0.000 2.334 452 G HA2 0.374 4.348 3.960 0.023 0.000 0.261 452 G HA3 0.374 4.348 3.960 0.023 0.000 0.261 452 G C -0.325 174.577 174.900 0.003 0.000 1.257 452 G CA -0.320 44.783 45.100 0.005 0.000 0.935 452 G HN 0.320 nan 8.290 nan 0.000 0.480 453 I N 3.159 123.724 120.570 -0.008 0.000 2.307 453 I HA 0.095 4.279 4.170 0.023 0.000 0.287 453 I C -0.236 175.875 176.117 -0.009 0.000 1.054 453 I CA -0.576 60.723 61.300 -0.002 0.000 1.218 453 I CB 0.824 38.824 38.000 -0.001 0.000 1.398 453 I HN 0.359 nan 8.210 nan 0.000 0.475 454 D N 4.648 125.047 120.400 -0.002 0.000 2.390 454 D HA 0.054 4.708 4.640 0.023 0.000 0.249 454 D C 1.228 177.532 176.300 0.006 0.000 1.144 454 D CA 0.288 54.284 54.000 -0.007 0.000 0.880 454 D CB 1.780 42.583 40.800 0.005 0.000 1.182 454 D HN 0.563 nan 8.370 nan 0.000 0.451 455 T N -0.977 113.576 114.554 -0.002 0.000 3.022 455 T HA -0.056 4.308 4.350 0.023 0.000 0.250 455 T C 0.842 175.550 174.700 0.013 0.000 1.060 455 T CA -0.521 61.581 62.100 0.004 0.000 1.013 455 T CB 0.182 69.045 68.868 -0.009 0.000 0.982 455 T HN 0.123 nan 8.240 nan 0.000 0.508 456 N N 3.504 122.211 118.700 0.013 0.000 2.359 456 N HA 0.076 4.830 4.740 0.023 0.000 0.261 456 N C -1.640 173.908 175.510 0.064 0.000 1.267 456 N CA -1.402 51.667 53.050 0.033 0.000 0.864 456 N CB 1.436 39.944 38.487 0.035 0.000 1.063 456 N HN 0.086 nan 8.380 nan 0.000 0.474 457 P HA -0.029 nan 4.420 nan 0.000 0.216 457 P C -0.449 176.913 177.300 0.102 0.000 1.150 457 P CA 0.967 64.112 63.100 0.075 0.000 0.837 457 P CB 0.154 31.893 31.700 0.065 0.000 0.786 458 A N 0.671 123.542 122.820 0.085 0.000 2.310 458 A HA 0.366 4.700 4.320 0.023 0.000 0.299 458 A C 0.556 178.251 177.584 0.185 0.000 1.147 458 A CA -0.533 51.513 52.037 0.015 0.000 0.818 458 A CB -0.250 18.625 19.000 -0.208 0.000 1.096 458 A HN 0.324 nan 8.150 nan 0.000 0.495 459 N N 0.063 118.910 118.700 0.245 0.000 2.299 459 N HA 0.349 5.103 4.740 0.023 0.000 0.246 459 N C -0.863 174.825 175.510 0.297 0.000 1.254 459 N CA -0.380 52.892 53.050 0.371 0.000 0.879 459 N CB 0.365 39.020 38.487 0.279 0.000 1.214 459 N HN 0.698 nan 8.380 nan 0.000 0.510 460 Y N -0.945 119.244 120.300 -0.185 0.000 2.609 460 Y HA 0.687 5.250 4.550 0.022 0.000 0.336 460 Y C -1.462 173.868 175.900 -0.950 0.000 1.129 460 Y CA -1.365 56.439 58.100 -0.495 0.000 1.040 460 Y CB 1.067 39.398 38.460 -0.216 0.000 1.310 460 Y HN 0.061 nan 8.280 nan 0.000 0.460 461 E N 0.917 120.658 120.200 -0.766 0.000 2.367 461 E HA 0.651 5.015 4.350 0.023 0.000 0.273 461 E C -3.149 173.348 176.600 -0.171 0.000 0.903 461 E CA -2.140 53.904 56.400 -0.594 0.000 0.764 461 E CB 1.549 30.842 29.700 -0.679 0.000 1.252 461 E HN 0.549 nan 8.360 nan 0.000 0.446 462 P HA 0.241 nan 4.420 nan 0.000 0.271 462 P C -1.235 176.005 177.300 -0.100 0.000 1.218 462 P CA -0.336 62.697 63.100 -0.111 0.000 0.780 462 P CB 0.410 32.081 31.700 -0.049 0.000 0.901 463 N N -1.315 117.262 118.700 -0.204 0.000 2.321 463 N HA 0.386 5.140 4.740 0.023 0.000 0.290 463 N C 0.291 175.754 175.510 -0.078 0.000 1.212 463 N CA -0.790 52.146 53.050 -0.189 0.000 0.767 463 N CB 1.282 39.379 38.487 -0.650 0.000 1.494 463 N HN 0.196 nan 8.380 nan 0.000 0.479 464 S N -0.197 115.502 115.700 -0.002 0.000 2.505 464 S HA 0.019 4.503 4.470 0.023 0.000 0.216 464 S C 1.510 176.122 174.600 0.020 0.000 1.018 464 S CA -0.095 58.108 58.200 0.005 0.000 0.911 464 S CB -0.779 62.436 63.200 0.025 0.000 0.818 464 S HN 0.706 nan 8.310 nan 0.000 0.497 465 I N -0.793 119.792 120.570 0.026 0.000 2.830 465 I HA 0.232 4.416 4.170 0.023 0.000 0.263 465 I C 1.320 177.467 176.117 0.050 0.000 1.230 465 I CA 1.204 62.531 61.300 0.046 0.000 1.480 465 I CB -0.327 37.717 38.000 0.074 0.000 1.095 465 I HN 0.169 nan 8.210 nan 0.000 0.455 466 N N 1.027 119.757 118.700 0.048 0.000 2.238 466 N HA 0.034 4.788 4.740 0.023 0.000 0.235 466 N C -0.082 175.542 175.510 0.190 0.000 1.209 466 N CA 0.015 53.136 53.050 0.118 0.000 0.879 466 N CB 0.063 38.633 38.487 0.138 0.000 1.136 466 N HN 0.220 nan 8.380 nan 0.000 0.517 467 D N 0.609 121.067 120.400 0.096 0.000 2.837 467 D HA -0.248 4.405 4.640 0.023 0.000 0.230 467 D C -0.225 175.987 176.300 -0.147 0.000 1.152 467 D CA 0.980 55.003 54.000 0.040 0.000 0.736 467 D CB -1.416 39.481 40.800 0.160 0.000 1.084 467 D HN 0.442 nan 8.370 nan 0.000 0.429 468 N N -1.671 116.964 118.700 -0.109 0.000 2.782 468 N HA -0.240 4.514 4.740 0.023 0.000 0.251 468 N C -0.835 174.612 175.510 -0.105 0.000 1.101 468 N CA 1.353 54.312 53.050 -0.152 0.000 0.764 468 N CB -1.314 37.032 38.487 -0.235 0.000 1.122 468 N HN 0.532 nan 8.380 nan 0.000 0.561 469 W N 0.963 122.310 121.300 0.078 0.000 2.381 469 W HA 0.458 5.132 4.660 0.022 0.000 0.329 469 W C -1.621 174.912 176.519 0.024 0.000 1.157 469 W CA -1.586 55.781 57.345 0.037 0.000 1.240 469 W CB 0.559 29.994 29.460 -0.042 0.000 1.199 469 W HN -0.040 nan 8.180 nan 0.000 0.579 470 P HA 0.196 nan 4.420 nan 0.000 0.274 470 P C -0.676 176.756 177.300 0.220 0.000 1.231 470 P CA -0.139 63.094 63.100 0.222 0.000 0.790 470 P CB 1.017 32.703 31.700 -0.023 0.000 0.951 471 R N 0.847 121.457 120.500 0.183 0.000 2.668 471 R HA 0.323 4.677 4.340 0.023 0.000 0.279 471 R C 0.332 176.661 176.300 0.049 0.000 0.976 471 R CA -0.811 55.274 56.100 -0.024 0.000 0.978 471 R CB 1.096 31.165 30.300 -0.385 0.000 1.133 471 R HN 0.496 nan 8.270 nan 0.000 0.484 472 E N 0.623 120.841 120.200 0.030 0.000 2.418 472 E HA 0.056 4.419 4.350 0.023 0.000 0.261 472 E C -0.574 176.045 176.600 0.031 0.000 1.070 472 E CA 0.576 57.005 56.400 0.048 0.000 0.931 472 E CB 0.708 30.431 29.700 0.037 0.000 0.954 472 E HN 0.344 nan 8.360 nan 0.000 0.439 473 T N 3.393 117.977 114.554 0.050 0.000 2.879 473 T HA 0.320 4.684 4.350 0.023 0.000 0.290 473 T C -2.471 172.252 174.700 0.038 0.000 0.993 473 T CA -1.577 60.550 62.100 0.045 0.000 0.975 473 T CB 1.394 70.302 68.868 0.066 0.000 0.981 473 T HN 0.261 nan 8.240 nan 0.000 0.439 474 P HA 0.236 nan 4.420 nan 0.000 0.269 474 P C -2.562 174.744 177.300 0.011 0.000 1.215 474 P CA -1.326 61.782 63.100 0.013 0.000 0.780 474 P CB -0.487 31.215 31.700 0.004 0.000 0.898 475 P HA 0.322 nan 4.420 nan 0.000 0.271 475 P C 0.011 177.299 177.300 -0.019 0.000 1.218 475 P CA 0.368 63.455 63.100 -0.022 0.000 0.780 475 P CB 0.696 32.363 31.700 -0.054 0.000 0.901 476 G N 1.368 110.155 108.800 -0.021 0.000 2.488 476 G HA2 0.391 4.365 3.960 0.023 0.000 0.301 476 G HA3 0.391 4.365 3.960 0.023 0.000 0.301 476 G C -2.531 172.358 174.900 -0.020 0.000 1.339 476 G CA -0.746 44.344 45.100 -0.016 0.000 0.803 476 G HN 0.141 nan 8.290 nan 0.000 0.482 477 P HA 0.069 nan 4.420 nan 0.000 0.218 477 P C 0.222 177.515 177.300 -0.011 0.000 1.149 477 P CA 1.148 64.237 63.100 -0.018 0.000 0.817 477 P CB 0.300 31.992 31.700 -0.014 0.000 0.785 478 K N -0.992 119.408 120.400 0.001 0.000 2.523 478 K HA 0.337 4.671 4.320 0.023 0.000 0.257 478 K C -0.075 176.539 176.600 0.023 0.000 0.932 478 K CA -0.868 55.426 56.287 0.012 0.000 0.812 478 K CB 2.087 34.596 32.500 0.014 0.000 1.326 478 K HN -0.329 nan 8.250 nan 0.000 0.433 479 R N -0.384 120.137 120.500 0.034 0.000 3.741 479 R HA -0.158 4.196 4.340 0.023 0.000 0.292 479 R C 0.061 176.389 176.300 0.045 0.000 1.176 479 R CA 1.019 57.146 56.100 0.045 0.000 0.794 479 R CB -2.154 28.172 30.300 0.045 0.000 1.213 479 R HN 0.949 nan 8.270 nan 0.000 0.494 480 G N -0.795 108.027 108.800 0.036 0.000 2.511 480 G HA2 0.609 4.583 3.960 0.023 0.000 0.316 480 G HA3 0.609 4.583 3.960 0.023 0.000 0.316 480 G C 0.361 175.293 174.900 0.053 0.000 1.210 480 G CA 0.061 45.182 45.100 0.034 0.000 0.969 480 G HN 0.242 nan 8.290 nan 0.000 0.492 481 G N -1.390 107.444 108.800 0.056 0.000 2.569 481 G HA2 0.402 4.375 3.960 0.023 0.000 0.249 481 G HA3 0.402 4.375 3.960 0.023 0.000 0.249 481 G C -0.673 174.287 174.900 0.099 0.000 1.216 481 G CA -0.527 44.628 45.100 0.092 0.000 0.845 481 G HN 0.451 nan 8.290 nan 0.000 0.568 482 F N 0.276 120.237 119.950 0.019 0.000 2.456 482 F HA 0.418 4.959 4.527 0.023 0.000 0.358 482 F C 0.505 176.317 175.800 0.020 0.000 1.095 482 F CA -0.241 57.766 58.000 0.011 0.000 1.216 482 F CB 0.965 39.972 39.000 0.012 0.000 1.125 482 F HN 0.454 nan 8.300 nan 0.000 0.549 483 E N 4.115 123.981 120.200 -0.556 0.000 2.263 483 E HA 0.313 4.677 4.350 0.023 0.000 0.268 483 E C -1.231 175.031 176.600 -0.564 0.000 0.884 483 E CA -0.760 55.454 56.400 -0.311 0.000 0.766 483 E CB 1.534 31.132 29.700 -0.170 0.000 1.196 483 E HN 0.632 nan 8.360 nan 0.000 0.416 484 S N 2.488 118.092 115.700 -0.160 0.000 2.576 484 S HA 0.012 4.495 4.470 0.023 0.000 0.276 484 S C -0.540 174.044 174.600 -0.027 0.000 1.339 484 S CA -0.386 57.791 58.200 -0.038 0.000 1.039 484 S CB 0.165 63.480 63.200 0.193 0.000 0.902 484 S HN 0.486 nan 8.310 nan 0.000 0.516 485 Y N 2.376 122.607 120.300 -0.114 0.000 2.620 485 Y HA -0.010 4.553 4.550 0.023 0.000 0.330 485 Y C 0.819 176.697 175.900 -0.038 0.000 1.186 485 Y CA -0.079 57.965 58.100 -0.093 0.000 1.467 485 Y CB 0.085 38.492 38.460 -0.088 0.000 1.262 485 Y HN 0.582 nan 8.280 nan 0.000 0.550 486 Q N 5.277 124.726 119.800 -0.585 0.000 3.223 486 Q HA -0.002 4.351 4.340 0.023 0.000 0.299 486 Q C -0.146 175.526 176.000 -0.547 0.000 1.385 486 Q CA 0.016 55.552 55.803 -0.445 0.000 0.942 486 Q CB -0.269 28.299 28.738 -0.282 0.000 1.748 486 Q HN 0.650 nan 8.270 nan 0.000 0.523 487 E N 1.701 121.629 120.200 -0.453 0.000 2.414 487 E HA -0.046 4.318 4.350 0.023 0.000 0.263 487 E C -0.274 176.263 176.600 -0.104 0.000 1.000 487 E CA -0.245 56.020 56.400 -0.224 0.000 0.914 487 E CB 0.655 30.374 29.700 0.031 0.000 0.948 487 E HN 0.276 nan 8.360 nan 0.000 0.444 488 R N 3.159 123.626 120.500 -0.054 0.000 2.442 488 R HA 0.158 4.512 4.340 0.023 0.000 0.291 488 R C -1.158 175.153 176.300 0.018 0.000 1.069 488 R CA -0.333 55.756 56.100 -0.017 0.000 1.022 488 R CB 0.627 30.930 30.300 0.004 0.000 0.976 488 R HN 0.325 nan 8.270 nan 0.000 0.443 489 V N 4.494 124.414 119.914 0.010 0.000 2.459 489 V HA 0.404 4.537 4.120 0.023 0.000 0.295 489 V C -0.308 175.795 176.094 0.015 0.000 1.029 489 V CA -0.480 61.833 62.300 0.021 0.000 0.874 489 V CB 1.581 33.414 31.823 0.017 0.000 0.985 489 V HN 0.818 nan 8.190 nan 0.000 0.438 490 E N 2.371 122.583 120.200 0.019 0.000 2.343 490 E HA 0.600 4.964 4.350 0.023 0.000 0.288 490 E C -0.431 176.173 176.600 0.007 0.000 0.907 490 E CA -0.004 56.402 56.400 0.011 0.000 0.792 490 E CB 2.185 31.892 29.700 0.012 0.000 1.275 490 E HN 1.000 nan 8.360 nan 0.000 0.402 491 G N 2.888 111.687 108.800 -0.001 0.000 2.343 491 G HA2 0.036 4.009 3.960 0.023 0.000 0.289 491 G HA3 0.036 4.009 3.960 0.023 0.000 0.289 491 G C -1.375 173.519 174.900 -0.010 0.000 1.295 491 G CA -0.922 44.174 45.100 -0.006 0.000 0.869 491 G HN 0.378 nan 8.290 nan 0.000 0.522 492 N N 0.157 118.848 118.700 -0.015 0.000 2.482 492 N HA 0.386 5.140 4.740 0.023 0.000 0.279 492 N C -0.256 175.241 175.510 -0.022 0.000 1.182 492 N CA -0.370 52.670 53.050 -0.017 0.000 0.969 492 N CB 1.128 39.604 38.487 -0.019 0.000 1.201 492 N HN 0.485 nan 8.380 nan 0.000 0.523 493 K N 0.949 121.335 120.400 -0.023 0.000 2.336 493 K HA 0.198 4.532 4.320 0.023 0.000 0.290 493 K C -0.359 176.219 176.600 -0.036 0.000 1.067 493 K CA -0.160 56.110 56.287 -0.029 0.000 0.962 493 K CB -0.090 32.395 32.500 -0.026 0.000 1.008 493 K HN 0.340 nan 8.250 nan 0.000 0.467 494 V N 0.198 120.086 119.914 -0.044 0.000 3.007 494 V HA 0.491 4.624 4.120 0.023 0.000 0.311 494 V C -0.468 175.585 176.094 -0.068 0.000 1.120 494 V CA -1.351 60.918 62.300 -0.051 0.000 0.980 494 V CB 2.088 33.883 31.823 -0.048 0.000 1.033 494 V HN 0.612 nan 8.190 nan 0.000 0.429 495 R N 1.942 122.396 120.500 -0.076 0.000 2.666 495 R HA 0.565 4.919 4.340 0.023 0.000 0.275 495 R C -0.581 175.666 176.300 -0.089 0.000 1.266 495 R CA -0.127 55.913 56.100 -0.100 0.000 1.401 495 R CB 0.797 31.024 30.300 -0.121 0.000 1.145 495 R HN 0.923 nan 8.270 nan 0.000 0.581 496 E N 1.779 121.924 120.200 -0.093 0.000 2.290 496 E HA 0.225 4.588 4.350 0.023 0.000 0.274 496 E C -1.179 175.348 176.600 -0.122 0.000 0.889 496 E CA -1.038 55.310 56.400 -0.088 0.000 0.760 496 E CB 1.594 31.251 29.700 -0.072 0.000 1.206 496 E HN 0.084 nan 8.360 nan 0.000 0.419 497 R N 1.816 122.249 120.500 -0.111 0.000 2.389 497 R HA 0.166 4.520 4.340 0.023 0.000 0.295 497 R C -0.495 175.690 176.300 -0.192 0.000 1.075 497 R CA 0.162 56.158 56.100 -0.174 0.000 1.005 497 R CB 1.004 31.259 30.300 -0.074 0.000 0.987 497 R HN 0.378 nan 8.270 nan 0.000 0.452 498 S N 5.433 120.922 115.700 -0.352 0.000 2.537 498 S HA 0.112 4.595 4.470 0.023 0.000 0.286 498 S C -1.448 173.141 174.600 -0.017 0.000 1.299 498 S CA -1.245 56.847 58.200 -0.181 0.000 1.067 498 S CB 0.631 63.703 63.200 -0.214 0.000 0.864 498 S HN 0.553 nan 8.310 nan 0.000 0.494 499 P HA -0.099 nan 4.420 nan 0.000 0.219 499 P C 1.417 178.772 177.300 0.092 0.000 1.146 499 P CA 1.166 64.295 63.100 0.047 0.000 0.808 499 P CB -0.294 31.421 31.700 0.025 0.000 0.779 500 S N -1.992 113.802 115.700 0.156 0.000 2.474 500 S HA -0.092 4.391 4.470 0.023 0.000 0.235 500 S C 1.513 176.262 174.600 0.248 0.000 0.997 500 S CA 0.708 59.022 58.200 0.191 0.000 0.949 500 S CB -1.334 62.010 63.200 0.240 0.000 0.766 500 S HN -0.041 nan 8.310 nan 0.000 0.517 501 F N 2.250 122.192 119.950 -0.013 0.000 2.664 501 F HA 0.374 4.915 4.527 0.023 0.000 0.296 501 F C 2.141 177.876 175.800 -0.108 0.000 1.125 501 F CA -0.694 57.293 58.000 -0.021 0.000 1.444 501 F CB -0.837 38.180 39.000 0.029 0.000 1.114 501 F HN 0.343 nan 8.300 nan 0.000 0.576 502 G N 0.565 109.374 108.800 0.015 0.000 3.324 502 G HA2 -0.025 3.949 3.960 0.023 0.000 0.232 502 G HA3 -0.025 3.949 3.960 0.023 0.000 0.232 502 G C 0.150 174.591 174.900 -0.766 0.000 1.213 502 G CA 0.218 45.141 45.100 -0.294 0.000 1.637 502 G HN 0.068 nan 8.290 nan 0.000 0.572 503 E N -0.089 119.622 120.200 -0.815 0.000 2.246 503 E HA 0.339 4.702 4.350 0.023 0.000 0.266 503 E C -0.805 175.379 176.600 -0.693 0.000 0.880 503 E CA -0.815 55.186 56.400 -0.665 0.000 0.762 503 E CB 1.425 30.986 29.700 -0.231 0.000 1.180 503 E HN 0.218 nan 8.360 nan 0.000 0.416 504 Y N 2.746 122.852 120.300 -0.323 0.000 2.471 504 Y HA 0.201 4.765 4.550 0.023 0.000 0.249 504 Y C 0.615 176.252 175.900 -0.438 0.000 1.116 504 Y CA -0.147 57.663 58.100 -0.482 0.000 1.240 504 Y CB 0.416 38.396 38.460 -0.800 0.000 1.251 504 Y HN 0.432 nan 8.280 nan 0.000 0.527 505 Y N -1.470 118.923 120.300 0.155 0.000 2.467 505 Y HA 0.097 4.661 4.550 0.023 0.000 0.259 505 Y C 2.374 178.340 175.900 0.110 0.000 1.084 505 Y CA 0.111 58.295 58.100 0.140 0.000 1.275 505 Y CB -0.293 38.255 38.460 0.146 0.000 1.208 505 Y HN 0.050 nan 8.280 nan 0.000 0.511 506 S N -0.821 115.024 115.700 0.243 0.000 2.406 506 S HA -0.173 4.310 4.470 0.023 0.000 0.228 506 S C 1.432 176.098 174.600 0.109 0.000 1.020 506 S CA 1.503 59.810 58.200 0.178 0.000 0.965 506 S CB -0.502 62.802 63.200 0.173 0.000 0.798 506 S HN 0.423 nan 8.310 nan 0.000 0.488 507 H N 2.973 121.964 119.070 -0.132 0.000 2.333 507 H HA 0.165 4.735 4.556 0.023 0.000 0.302 507 H C -0.669 174.463 175.328 -0.328 0.000 1.075 507 H CA 1.502 57.304 56.048 -0.410 0.000 1.348 507 H CB -1.700 27.545 29.762 -0.862 0.000 1.393 507 H HN 0.383 nan 8.280 nan 0.000 0.509 508 P HA -0.200 nan 4.420 nan 0.000 0.216 508 P C 1.462 178.960 177.300 0.329 0.000 1.153 508 P CA 1.787 65.063 63.100 0.293 0.000 0.858 508 P CB 0.072 31.967 31.700 0.325 0.000 0.789 509 R N -0.380 120.258 120.500 0.230 0.000 2.075 509 R HA -0.113 4.240 4.340 0.023 0.000 0.232 509 R C 2.210 178.644 176.300 0.224 0.000 1.126 509 R CA 1.105 57.342 56.100 0.227 0.000 0.963 509 R CB -1.091 29.302 30.300 0.156 0.000 0.858 509 R HN 0.051 nan 8.270 nan 0.000 0.435 510 L N 0.575 121.873 121.223 0.125 0.000 2.042 510 L HA -0.135 4.218 4.340 0.023 0.000 0.210 510 L C 1.993 178.937 176.870 0.123 0.000 1.076 510 L CA 1.764 56.646 54.840 0.071 0.000 0.749 510 L CB -0.734 41.296 42.059 -0.048 0.000 0.893 510 L HN 0.277 nan 8.230 nan 0.000 0.432 511 F N -0.796 119.201 119.950 0.079 0.000 2.102 511 F HA -0.271 4.270 4.527 0.023 0.000 0.298 511 F C 2.333 178.141 175.800 0.014 0.000 1.105 511 F CA 2.110 60.134 58.000 0.040 0.000 1.239 511 F CB -0.630 38.431 39.000 0.102 0.000 0.991 511 F HN 0.383 nan 8.300 nan 0.000 0.474 512 W N 1.506 122.775 121.300 -0.052 0.000 2.335 512 W HA -0.245 4.429 4.660 0.023 0.000 0.311 512 W C 1.675 178.068 176.519 -0.211 0.000 1.213 512 W CA 1.813 59.073 57.345 -0.143 0.000 1.274 512 W CB -0.709 28.771 29.460 0.034 0.000 1.148 512 W HN 0.101 nan 8.180 nan 0.000 0.498 513 L N 1.082 122.225 121.223 -0.134 0.000 2.376 513 L HA -0.136 4.218 4.340 0.023 0.000 0.219 513 L C 2.334 179.018 176.870 -0.310 0.000 1.133 513 L CA 1.015 55.712 54.840 -0.239 0.000 0.816 513 L CB -0.691 41.356 42.059 -0.020 0.000 0.933 513 L HN -0.147 nan 8.230 nan 0.000 0.449 514 S N -1.364 114.140 115.700 -0.327 0.000 2.562 514 S HA 0.035 4.518 4.470 0.023 0.000 0.221 514 S C 0.743 175.072 174.600 -0.451 0.000 0.975 514 S CA 0.147 58.157 58.200 -0.317 0.000 0.918 514 S CB -0.012 63.042 63.200 -0.243 0.000 0.772 514 S HN 0.311 nan 8.310 nan 0.000 0.531 515 Q N 2.379 121.800 119.800 -0.632 0.000 2.299 515 Q HA 0.248 4.601 4.340 0.023 0.000 0.246 515 Q C 0.638 176.254 176.000 -0.640 0.000 0.935 515 Q CA -0.076 55.316 55.803 -0.685 0.000 0.887 515 Q CB 0.371 28.612 28.738 -0.828 0.000 1.223 515 Q HN 0.441 nan 8.270 nan 0.000 0.439 516 T N -1.300 112.839 114.554 -0.691 0.000 2.795 516 T HA 0.090 4.454 4.350 0.023 0.000 0.314 516 T C -1.706 172.516 174.700 -0.796 0.000 1.069 516 T CA -1.159 60.479 62.100 -0.770 0.000 1.071 516 T CB 0.206 68.346 68.868 -1.214 0.000 0.988 516 T HN 0.256 nan 8.240 nan 0.000 0.543 517 P HA -0.035 nan 4.420 nan 0.000 0.215 517 P C 1.422 178.485 177.300 -0.394 0.000 1.153 517 P CA 1.100 63.959 63.100 -0.403 0.000 0.853 517 P CB -0.276 31.312 31.700 -0.187 0.000 0.788 518 F N -0.111 119.643 119.950 -0.327 0.000 2.325 518 F HA 0.043 4.584 4.527 0.023 0.000 0.299 518 F C 1.784 177.213 175.800 -0.618 0.000 1.090 518 F CA 0.786 58.528 58.000 -0.429 0.000 1.392 518 F CB -1.512 37.231 39.000 -0.428 0.000 1.053 518 F HN -0.092 nan 8.300 nan 0.000 0.521 519 E N 0.639 120.261 120.200 -0.963 0.000 2.072 519 E HA -0.199 4.165 4.350 0.023 0.000 0.191 519 E C 2.228 178.624 176.600 -0.341 0.000 0.985 519 E CA 1.350 57.406 56.400 -0.574 0.000 0.801 519 E CB -0.265 29.061 29.700 -0.623 0.000 0.750 519 E HN 0.604 nan 8.360 nan 0.000 0.452 520 Q N 0.372 119.885 119.800 -0.478 0.000 2.061 520 Q HA -0.230 4.124 4.340 0.023 0.000 0.204 520 Q C 2.277 178.294 176.000 0.029 0.000 0.984 520 Q CA 1.527 57.077 55.803 -0.422 0.000 0.846 520 Q CB -0.161 28.040 28.738 -0.895 0.000 0.902 520 Q HN 0.009 nan 8.270 nan 0.000 0.421 521 R N 0.247 120.741 120.500 -0.010 0.000 2.096 521 R HA -0.184 4.170 4.340 0.023 0.000 0.240 521 R C 1.766 178.239 176.300 0.288 0.000 1.139 521 R CA 1.979 58.169 56.100 0.149 0.000 0.952 521 R CB -0.445 29.920 30.300 0.109 0.000 0.854 521 R HN 0.486 nan 8.270 nan 0.000 0.436 522 H N -0.737 118.416 119.070 0.137 0.000 2.387 522 H HA -0.098 4.472 4.556 0.023 0.000 0.299 522 H C 2.083 177.511 175.328 0.167 0.000 1.099 522 H CA 1.381 57.523 56.048 0.157 0.000 1.315 522 H CB -0.053 29.806 29.762 0.161 0.000 1.380 522 H HN 0.222 nan 8.280 nan 0.000 0.513 523 I N 0.104 120.876 120.570 0.335 0.000 2.202 523 I HA -0.249 3.935 4.170 0.023 0.000 0.242 523 I C 2.385 178.772 176.117 0.450 0.000 1.091 523 I CA 0.774 62.297 61.300 0.371 0.000 1.368 523 I CB -0.185 38.119 38.000 0.507 0.000 1.058 523 I HN 0.074 nan 8.210 nan 0.000 0.410 524 V N 0.953 121.139 119.914 0.453 0.000 2.287 524 V HA -0.322 3.812 4.120 0.023 0.000 0.248 524 V C 2.030 178.293 176.094 0.283 0.000 1.053 524 V CA 2.101 64.620 62.300 0.365 0.000 1.027 524 V CB -0.678 31.319 31.823 0.289 0.000 0.646 524 V HN 0.420 nan 8.190 nan 0.000 0.447 525 D N 0.274 120.821 120.400 0.244 0.000 2.178 525 D HA -0.081 4.573 4.640 0.023 0.000 0.202 525 D C 2.142 178.502 176.300 0.100 0.000 0.974 525 D CA 1.443 55.549 54.000 0.176 0.000 0.841 525 D CB -0.498 40.410 40.800 0.180 0.000 0.953 525 D HN 0.483 nan 8.370 nan 0.000 0.478 526 G N 0.213 109.050 108.800 0.062 0.000 2.434 526 G HA2 -0.242 3.731 3.960 0.023 0.000 0.214 526 G HA3 -0.242 3.731 3.960 0.023 0.000 0.214 526 G C 1.438 176.333 174.900 -0.008 0.000 1.202 526 G CA 0.199 45.248 45.100 -0.085 0.000 0.788 526 G HN 0.151 nan 8.290 nan 0.000 0.539 527 F N 1.907 121.890 119.950 0.055 0.000 2.091 527 F HA -0.125 4.415 4.527 0.023 0.000 0.299 527 F C 3.216 178.920 175.800 -0.160 0.000 1.103 527 F CA 1.689 59.650 58.000 -0.064 0.000 1.228 527 F CB -0.596 38.380 39.000 -0.040 0.000 0.984 527 F HN 0.086 nan 8.300 nan 0.000 0.477 528 S N 0.004 115.787 115.700 0.138 0.000 2.353 528 S HA -0.251 4.233 4.470 0.023 0.000 0.222 528 S C 1.884 176.492 174.600 0.014 0.000 1.035 528 S CA 1.580 59.810 58.200 0.050 0.000 1.025 528 S CB -0.927 62.329 63.200 0.093 0.000 0.902 528 S HN 0.409 nan 8.310 nan 0.000 0.440 529 F N 2.512 122.413 119.950 -0.081 0.000 2.102 529 F HA -0.120 4.420 4.527 0.022 0.000 0.298 529 F C 2.377 178.111 175.800 -0.109 0.000 1.105 529 F CA 1.572 59.517 58.000 -0.093 0.000 1.239 529 F CB -0.331 38.552 39.000 -0.194 0.000 0.991 529 F HN 0.138 nan 8.300 nan 0.000 0.474 530 E N 0.665 120.834 120.200 -0.051 0.000 2.051 530 E HA -0.226 4.137 4.350 0.023 0.000 0.192 530 E C 2.382 178.766 176.600 -0.360 0.000 0.991 530 E CA 1.706 58.037 56.400 -0.116 0.000 0.799 530 E CB -0.591 29.215 29.700 0.177 0.000 0.748 530 E HN 0.484 nan 8.360 nan 0.000 0.449 531 L N 1.423 122.346 121.223 -0.500 0.000 2.191 531 L HA -0.164 4.190 4.340 0.023 0.000 0.212 531 L C 2.753 179.448 176.870 -0.293 0.000 1.103 531 L CA 1.236 55.773 54.840 -0.506 0.000 0.769 531 L CB -0.539 41.249 42.059 -0.452 0.000 0.908 531 L HN 0.165 nan 8.230 nan 0.000 0.438 532 S N -0.597 114.944 115.700 -0.265 0.000 2.447 532 S HA -0.118 4.366 4.470 0.023 0.000 0.233 532 S C 1.751 176.223 174.600 -0.213 0.000 1.006 532 S CA 0.642 58.714 58.200 -0.214 0.000 0.957 532 S CB -0.107 62.967 63.200 -0.210 0.000 0.773 532 S HN 0.323 nan 8.310 nan 0.000 0.507 533 K N 1.149 121.400 120.400 -0.249 0.000 2.404 533 K HA 0.309 4.643 4.320 0.023 0.000 0.194 533 K C 0.003 176.596 176.600 -0.012 0.000 1.023 533 K CA 0.010 56.218 56.287 -0.130 0.000 1.094 533 K CB 0.058 32.480 32.500 -0.131 0.000 0.841 533 K HN 0.321 nan 8.250 nan 0.000 0.523 534 V N 2.451 122.340 119.914 -0.042 0.000 2.470 534 V HA -0.020 4.114 4.120 0.023 0.000 0.276 534 V C 1.786 177.874 176.094 -0.009 0.000 1.040 534 V CA -0.044 62.264 62.300 0.012 0.000 1.008 534 V CB 1.229 33.031 31.823 -0.034 0.000 0.990 534 V HN -0.114 nan 8.190 nan 0.000 0.477 535 V N 4.979 124.912 119.914 0.031 0.000 2.453 535 V HA -0.046 4.088 4.120 0.023 0.000 0.247 535 V C 1.296 177.390 176.094 -0.000 0.000 1.048 535 V CA 1.199 63.514 62.300 0.026 0.000 1.049 535 V CB -0.539 31.318 31.823 0.057 0.000 0.672 535 V HN 0.770 nan 8.190 nan 0.000 0.457 536 R N 1.056 121.535 120.500 -0.034 0.000 2.248 536 R HA 0.182 4.536 4.340 0.023 0.000 0.337 536 R C -1.695 174.507 176.300 -0.163 0.000 1.085 536 R CA -1.418 54.641 56.100 -0.068 0.000 0.934 536 R CB 0.480 30.692 30.300 -0.148 0.000 1.034 536 R HN 0.258 nan 8.270 nan 0.000 0.465 537 P HA -0.231 nan 4.420 nan 0.000 0.216 537 P C 0.826 178.104 177.300 -0.037 0.000 1.150 537 P CA 1.275 64.358 63.100 -0.029 0.000 0.843 537 P CB -0.032 31.686 31.700 0.028 0.000 0.787 538 Y N -1.234 119.067 120.300 0.002 0.000 2.274 538 Y HA -0.104 4.460 4.550 0.023 0.000 0.290 538 Y C 1.972 177.878 175.900 0.010 0.000 1.145 538 Y CA 0.801 58.903 58.100 0.003 0.000 1.203 538 Y CB -1.725 36.737 38.460 0.004 0.000 0.984 538 Y HN -0.110 nan 8.280 nan 0.000 0.533 539 I N 0.919 121.055 120.570 -0.723 0.000 2.226 539 I HA -0.258 3.926 4.170 0.023 0.000 0.245 539 I C 2.531 178.555 176.117 -0.154 0.000 1.100 539 I CA 1.446 62.507 61.300 -0.399 0.000 1.374 539 I CB -0.409 37.350 38.000 -0.402 0.000 1.057 539 I HN 0.199 nan 8.210 nan 0.000 0.413 540 R N 0.756 121.160 120.500 -0.159 0.000 2.105 540 R HA -0.199 4.155 4.340 0.023 0.000 0.239 540 R C 2.118 178.366 176.300 -0.087 0.000 1.135 540 R CA 1.525 57.544 56.100 -0.135 0.000 0.967 540 R CB -0.401 29.820 30.300 -0.131 0.000 0.861 540 R HN 0.477 nan 8.270 nan 0.000 0.442 541 E N 0.394 120.566 120.200 -0.046 0.000 2.047 541 E HA -0.143 4.220 4.350 0.023 0.000 0.191 541 E C 2.147 178.748 176.600 0.002 0.000 0.987 541 E CA 0.955 57.349 56.400 -0.011 0.000 0.799 541 E CB 0.001 29.719 29.700 0.031 0.000 0.752 541 E HN 0.276 nan 8.360 nan 0.000 0.449 542 R N 0.336 120.850 120.500 0.023 0.000 2.096 542 R HA -0.107 4.247 4.340 0.023 0.000 0.235 542 R C 2.381 178.698 176.300 0.027 0.000 1.127 542 R CA 1.131 57.255 56.100 0.040 0.000 0.968 542 R CB -0.266 30.074 30.300 0.066 0.000 0.861 542 R HN 0.077 nan 8.270 nan 0.000 0.440 543 V N 0.386 120.310 119.914 0.017 0.000 2.427 543 V HA -0.169 3.964 4.120 0.023 0.000 0.248 543 V C 2.301 178.368 176.094 -0.046 0.000 1.051 543 V CA 1.311 63.632 62.300 0.034 0.000 1.048 543 V CB -0.232 31.636 31.823 0.075 0.000 0.666 543 V HN 0.108 nan 8.190 nan 0.000 0.456 544 V N 0.732 120.599 119.914 -0.078 0.000 2.343 544 V HA -0.313 3.821 4.120 0.023 0.000 0.247 544 V C 2.315 178.369 176.094 -0.067 0.000 1.051 544 V CA 2.490 64.725 62.300 -0.109 0.000 1.036 544 V CB -0.681 31.083 31.823 -0.099 0.000 0.654 544 V HN 0.670 nan 8.190 nan 0.000 0.451 545 D N -0.822 119.570 120.400 -0.013 0.000 2.123 545 D HA -0.204 4.450 4.640 0.023 0.000 0.196 545 D C 2.256 178.631 176.300 0.124 0.000 0.992 545 D CA 1.188 55.214 54.000 0.044 0.000 0.833 545 D CB 0.002 40.840 40.800 0.063 0.000 0.954 545 D HN 0.347 nan 8.370 nan 0.000 0.455 546 Q N -0.140 119.699 119.800 0.065 0.000 2.079 546 Q HA -0.086 4.268 4.340 0.023 0.000 0.200 546 Q C 2.617 178.644 176.000 0.046 0.000 0.974 546 Q CA 0.702 56.546 55.803 0.068 0.000 0.840 546 Q CB -0.319 28.474 28.738 0.091 0.000 0.898 546 Q HN 0.456 nan 8.270 nan 0.000 0.430 547 L N 0.308 121.492 121.223 -0.065 0.000 2.127 547 L HA -0.164 4.190 4.340 0.023 0.000 0.211 547 L C 2.382 179.147 176.870 -0.176 0.000 1.089 547 L CA 1.024 55.753 54.840 -0.185 0.000 0.757 547 L CB -0.666 41.177 42.059 -0.360 0.000 0.899 547 L HN 0.113 nan 8.230 nan 0.000 0.434 548 A N -0.862 121.879 122.820 -0.131 0.000 2.125 548 A HA -0.204 4.130 4.320 0.023 0.000 0.219 548 A C 1.705 179.130 177.584 -0.264 0.000 1.156 548 A CA 1.298 53.227 52.037 -0.180 0.000 0.671 548 A CB -0.722 18.178 19.000 -0.166 0.000 0.794 548 A HN 0.455 nan 8.150 nan 0.000 0.459 549 H N -1.446 117.424 119.070 -0.332 0.000 2.539 549 H HA 0.304 4.874 4.556 0.023 0.000 0.267 549 H C 1.482 176.548 175.328 -0.437 0.000 0.982 549 H CA 0.759 56.492 56.048 -0.526 0.000 1.146 549 H CB 0.100 29.123 29.762 -1.231 0.000 1.382 549 H HN 0.507 nan 8.280 nan 0.000 0.577 550 I N -1.303 119.176 120.570 -0.151 0.000 2.899 550 I HA 0.107 4.291 4.170 0.023 0.000 0.257 550 I C -0.135 175.906 176.117 -0.126 0.000 1.115 550 I CA 0.387 61.656 61.300 -0.053 0.000 1.451 550 I CB 0.768 38.766 38.000 -0.005 0.000 1.251 550 I HN 0.082 nan 8.210 nan 0.000 0.456 551 D N -0.876 119.380 120.400 -0.240 0.000 2.878 551 D HA 0.174 4.828 4.640 0.023 0.000 0.211 551 D C 0.152 176.279 176.300 -0.288 0.000 1.271 551 D CA -0.414 53.419 54.000 -0.277 0.000 0.845 551 D CB 1.393 41.907 40.800 -0.477 0.000 1.679 551 D HN -0.161 nan 8.370 nan 0.000 0.536 552 L N 2.577 123.692 121.223 -0.181 0.000 2.109 552 L HA -0.027 4.327 4.340 0.023 0.000 0.207 552 L C 1.623 178.413 176.870 -0.134 0.000 1.086 552 L CA 1.751 56.503 54.840 -0.147 0.000 0.760 552 L CB -0.782 41.220 42.059 -0.095 0.000 0.910 552 L HN 0.641 nan 8.230 nan 0.000 0.437 553 T N 0.426 114.925 114.554 -0.092 0.000 2.708 553 T HA -0.205 4.159 4.350 0.023 0.000 0.266 553 T C 1.980 176.612 174.700 -0.113 0.000 1.037 553 T CA 1.109 63.197 62.100 -0.020 0.000 1.146 553 T CB -0.253 68.699 68.868 0.140 0.000 0.865 553 T HN 0.238 nan 8.240 nan 0.000 0.435 554 L N 0.764 121.741 121.223 -0.410 0.000 1.989 554 L HA -0.180 4.174 4.340 0.023 0.000 0.211 554 L C 2.805 179.451 176.870 -0.375 0.000 1.071 554 L CA 1.957 56.406 54.840 -0.652 0.000 0.749 554 L CB -0.766 40.533 42.059 -1.268 0.000 0.890 554 L HN 0.306 nan 8.230 nan 0.000 0.431 555 A N -0.679 121.936 122.820 -0.343 0.000 1.877 555 A HA -0.285 4.049 4.320 0.023 0.000 0.216 555 A C 2.059 179.545 177.584 -0.164 0.000 1.186 555 A CA 1.839 53.725 52.037 -0.253 0.000 0.620 555 A CB -0.575 18.294 19.000 -0.219 0.000 0.822 555 A HN 0.633 nan 8.150 nan 0.000 0.443 556 Q N -0.765 118.960 119.800 -0.124 0.000 2.084 556 Q HA -0.091 4.263 4.340 0.023 0.000 0.202 556 Q C 2.461 178.432 176.000 -0.047 0.000 0.978 556 Q CA 1.385 57.144 55.803 -0.072 0.000 0.844 556 Q CB -0.387 28.322 28.738 -0.048 0.000 0.898 556 Q HN 0.688 nan 8.270 nan 0.000 0.426 557 A N 0.288 123.087 122.820 -0.035 0.000 1.877 557 A HA -0.148 4.185 4.320 0.023 0.000 0.216 557 A C 2.334 179.919 177.584 0.001 0.000 1.186 557 A CA 1.422 53.465 52.037 0.011 0.000 0.620 557 A CB -0.766 18.272 19.000 0.062 0.000 0.822 557 A HN 0.213 nan 8.150 nan 0.000 0.443 558 V N -0.087 119.802 119.914 -0.042 0.000 2.295 558 V HA -0.254 3.879 4.120 0.023 0.000 0.246 558 V C 3.083 179.143 176.094 -0.057 0.000 1.049 558 V CA 1.994 64.264 62.300 -0.049 0.000 1.024 558 V CB -1.321 30.419 31.823 -0.138 0.000 0.648 558 V HN 0.622 nan 8.190 nan 0.000 0.447 559 A N -0.275 122.499 122.820 -0.076 0.000 1.908 559 A HA -0.309 4.025 4.320 0.023 0.000 0.218 559 A C 2.355 179.919 177.584 -0.033 0.000 1.181 559 A CA 2.372 54.372 52.037 -0.061 0.000 0.627 559 A CB -0.558 18.404 19.000 -0.063 0.000 0.818 559 A HN 0.538 nan 8.150 nan 0.000 0.445 560 K N -0.477 119.911 120.400 -0.020 0.000 2.063 560 K HA -0.197 4.137 4.320 0.023 0.000 0.208 560 K C 1.511 178.115 176.600 0.006 0.000 1.048 560 K CA 1.585 57.870 56.287 -0.003 0.000 0.928 560 K CB -0.231 32.274 32.500 0.008 0.000 0.713 560 K HN 0.417 nan 8.250 nan 0.000 0.442 561 N N 0.772 119.479 118.700 0.012 0.000 2.364 561 N HA -0.120 4.634 4.740 0.023 0.000 0.183 561 N C 1.243 176.756 175.510 0.005 0.000 1.022 561 N CA 0.893 53.957 53.050 0.023 0.000 0.883 561 N CB 0.047 38.560 38.487 0.042 0.000 0.965 561 N HN 0.283 nan 8.380 nan 0.000 0.438 562 L N -0.948 120.266 121.223 -0.015 0.000 2.667 562 L HA 0.269 4.623 4.340 0.023 0.000 0.232 562 L C 0.896 177.753 176.870 -0.020 0.000 1.138 562 L CA -0.139 54.683 54.840 -0.029 0.000 0.921 562 L CB -0.057 41.968 42.059 -0.055 0.000 1.180 562 L HN 0.051 nan 8.230 nan 0.000 0.487 563 G N 1.659 110.453 108.800 -0.011 0.000 2.273 563 G HA2 -0.291 3.683 3.960 0.023 0.000 0.280 563 G HA3 -0.291 3.683 3.960 0.023 0.000 0.280 563 G C -0.039 174.854 174.900 -0.011 0.000 1.047 563 G CA 0.178 45.274 45.100 -0.007 0.000 0.869 563 G HN 0.336 nan 8.290 nan 0.000 0.502 564 I N -0.245 120.314 120.570 -0.019 0.000 2.441 564 I HA 0.410 4.594 4.170 0.023 0.000 0.295 564 I C 0.268 176.372 176.117 -0.022 0.000 0.994 564 I CA -0.730 60.557 61.300 -0.022 0.000 1.144 564 I CB 1.759 39.740 38.000 -0.033 0.000 1.314 564 I HN 0.096 nan 8.210 nan 0.000 0.445 565 E N 5.722 125.910 120.200 -0.019 0.000 2.175 565 E HA 0.461 4.824 4.350 0.023 0.000 0.278 565 E C -1.003 175.582 176.600 -0.026 0.000 0.969 565 E CA -0.697 55.691 56.400 -0.020 0.000 0.796 565 E CB 1.722 31.414 29.700 -0.014 0.000 1.104 565 E HN 0.400 nan 8.360 nan 0.000 0.395 566 L N 2.585 123.788 121.223 -0.034 0.000 2.439 566 L HA 0.164 4.517 4.340 0.023 0.000 0.269 566 L C 1.046 177.897 176.870 -0.033 0.000 1.179 566 L CA -0.308 54.508 54.840 -0.041 0.000 0.828 566 L CB 0.310 42.336 42.059 -0.055 0.000 1.106 566 L HN 0.649 nan 8.230 nan 0.000 0.467 567 T N -2.685 111.850 114.554 -0.032 0.000 2.816 567 T HA 0.086 4.450 4.350 0.023 0.000 0.282 567 T C 0.674 175.353 174.700 -0.034 0.000 0.993 567 T CA -0.760 61.323 62.100 -0.027 0.000 0.994 567 T CB 1.004 69.859 68.868 -0.022 0.000 1.025 567 T HN 0.495 nan 8.240 nan 0.000 0.529 568 D N 0.282 120.665 120.400 -0.029 0.000 2.149 568 D HA -0.076 4.578 4.640 0.023 0.000 0.198 568 D C 1.700 177.976 176.300 -0.040 0.000 0.990 568 D CA 1.111 55.093 54.000 -0.031 0.000 0.839 568 D CB -0.296 40.490 40.800 -0.023 0.000 0.948 568 D HN 0.575 nan 8.370 nan 0.000 0.460 569 D N 0.252 120.628 120.400 -0.039 0.000 2.144 569 D HA -0.109 4.545 4.640 0.023 0.000 0.199 569 D C 2.034 178.288 176.300 -0.078 0.000 0.984 569 D CA 0.699 54.670 54.000 -0.049 0.000 0.834 569 D CB -0.158 40.621 40.800 -0.036 0.000 0.955 569 D HN 0.338 nan 8.370 nan 0.000 0.465 570 Q N -0.140 119.614 119.800 -0.077 0.000 2.119 570 Q HA 0.012 4.365 4.340 0.023 0.000 0.201 570 Q C 2.364 178.290 176.000 -0.122 0.000 0.972 570 Q CA 0.539 56.275 55.803 -0.112 0.000 0.847 570 Q CB 0.025 28.711 28.738 -0.087 0.000 0.903 570 Q HN 0.294 nan 8.270 nan 0.000 0.433 571 L N 0.704 121.875 121.223 -0.087 0.000 2.275 571 L HA -0.123 4.231 4.340 0.023 0.000 0.215 571 L C 1.195 178.015 176.870 -0.083 0.000 1.119 571 L CA 0.496 55.288 54.840 -0.080 0.000 0.790 571 L CB -0.172 41.853 42.059 -0.056 0.000 0.919 571 L HN 0.242 nan 8.230 nan 0.000 0.443 572 N N -0.043 118.605 118.700 -0.085 0.000 2.230 572 N HA 0.229 4.982 4.740 0.023 0.000 0.202 572 N C 0.398 175.845 175.510 -0.106 0.000 1.119 572 N CA 0.024 53.027 53.050 -0.078 0.000 0.851 572 N CB 0.655 39.108 38.487 -0.057 0.000 0.990 572 N HN 0.238 nan 8.380 nan 0.000 0.497 573 I N 1.282 121.755 120.570 -0.162 0.000 2.683 573 I HA -0.095 4.089 4.170 0.023 0.000 0.286 573 I C 1.202 177.218 176.117 -0.168 0.000 1.175 573 I CA 0.536 61.701 61.300 -0.224 0.000 1.429 573 I CB 0.452 38.191 38.000 -0.436 0.000 1.371 573 I HN -0.122 nan 8.210 nan 0.000 0.569 574 T N 7.885 122.366 114.554 -0.122 0.000 2.851 574 T HA 0.261 4.625 4.350 0.023 0.000 0.298 574 T C -2.173 172.481 174.700 -0.077 0.000 0.977 574 T CA -1.429 60.626 62.100 -0.075 0.000 1.126 574 T CB 0.541 69.388 68.868 -0.036 0.000 0.916 574 T HN 0.309 nan 8.240 nan 0.000 0.529 575 P HA 0.229 nan 4.420 nan 0.000 0.267 575 P C -2.486 174.822 177.300 0.013 0.000 1.200 575 P CA -1.229 61.852 63.100 -0.033 0.000 0.772 575 P CB -0.450 31.243 31.700 -0.012 0.000 0.855 576 P HA 0.201 nan 4.420 nan 0.000 0.272 576 P C -2.398 174.953 177.300 0.085 0.000 1.230 576 P CA -1.368 61.795 63.100 0.105 0.000 0.788 576 P CB -0.988 30.823 31.700 0.184 0.000 0.949 577 P HA 0.057 nan 4.420 nan 0.000 0.269 577 P C -0.154 177.192 177.300 0.076 0.000 1.217 577 P CA 0.225 63.370 63.100 0.074 0.000 0.783 577 P CB 0.277 32.023 31.700 0.077 0.000 0.898 578 D N -0.246 120.192 120.400 0.063 0.000 2.354 578 D HA 0.052 4.706 4.640 0.023 0.000 0.238 578 D C -0.054 176.289 176.300 0.071 0.000 1.250 578 D CA 0.104 54.138 54.000 0.057 0.000 0.911 578 D CB 0.301 41.130 40.800 0.049 0.000 1.163 578 D HN -0.008 nan 8.370 nan 0.000 0.456 579 V N 2.102 122.050 119.914 0.056 0.000 2.320 579 V HA 0.062 4.195 4.120 0.023 0.000 0.265 579 V C 0.090 176.271 176.094 0.145 0.000 1.048 579 V CA -0.449 61.911 62.300 0.100 0.000 0.865 579 V CB -0.299 31.494 31.823 -0.051 0.000 1.043 579 V HN 0.577 nan 8.190 nan 0.000 0.474 580 N N 4.500 123.294 118.700 0.156 0.000 2.725 580 N HA -0.218 4.536 4.740 0.023 0.000 0.251 580 N C 1.181 176.742 175.510 0.085 0.000 1.031 580 N CA 1.213 54.337 53.050 0.123 0.000 0.720 580 N CB -0.952 37.639 38.487 0.173 0.000 0.930 580 N HN 1.261 nan 8.380 nan 0.000 0.543 581 G N -2.614 106.225 108.800 0.066 0.000 2.234 581 G HA2 -0.333 3.641 3.960 0.023 0.000 0.260 581 G HA3 -0.333 3.641 3.960 0.023 0.000 0.260 581 G C -0.006 174.922 174.900 0.046 0.000 0.987 581 G CA 0.325 45.453 45.100 0.048 0.000 0.625 581 G HN 0.355 nan 8.290 nan 0.000 0.532 582 L N 0.657 121.913 121.223 0.054 0.000 2.367 582 L HA 0.492 4.846 4.340 0.023 0.000 0.275 582 L C 1.340 178.227 176.870 0.029 0.000 1.129 582 L CA 0.567 55.432 54.840 0.042 0.000 0.839 582 L CB 1.358 43.446 42.059 0.049 0.000 1.133 582 L HN 0.193 nan 8.230 nan 0.000 0.453 583 K N 2.860 123.273 120.400 0.021 0.000 2.373 583 K HA 0.170 4.503 4.320 0.023 0.000 0.202 583 K C -0.509 176.091 176.600 0.001 0.000 1.025 583 K CA 0.013 56.310 56.287 0.016 0.000 1.115 583 K CB 0.425 32.934 32.500 0.015 0.000 0.858 583 K HN 0.667 nan 8.250 nan 0.000 0.525 584 K N -0.654 119.743 120.400 -0.005 0.000 2.894 584 K HA 0.177 4.510 4.320 0.023 0.000 0.293 584 K C -2.270 174.323 176.600 -0.012 0.000 1.091 584 K CA -0.975 55.295 56.287 -0.028 0.000 0.865 584 K CB 0.902 33.366 32.500 -0.060 0.000 1.441 584 K HN -0.205 nan 8.250 nan 0.000 0.361 585 D N 2.074 122.464 120.400 -0.016 0.000 2.478 585 D HA 0.281 4.935 4.640 0.023 0.000 0.240 585 D C -2.017 174.284 176.300 0.001 0.000 1.364 585 D CA -2.056 51.953 54.000 0.016 0.000 0.987 585 D CB 2.028 42.862 40.800 0.056 0.000 1.328 585 D HN 0.331 nan 8.370 nan 0.000 0.584 586 P HA -0.129 nan 4.420 nan 0.000 0.222 586 P C 1.273 178.580 177.300 0.013 0.000 1.147 586 P CA 0.751 63.837 63.100 -0.023 0.000 0.790 586 P CB 0.096 31.786 31.700 -0.017 0.000 0.780 587 S N -0.088 115.652 115.700 0.067 0.000 2.440 587 S HA -0.114 4.369 4.470 0.023 0.000 0.238 587 S C 1.899 176.600 174.600 0.168 0.000 1.010 587 S CA 0.899 59.176 58.200 0.127 0.000 0.972 587 S CB -1.615 61.685 63.200 0.168 0.000 0.774 587 S HN 0.150 nan 8.310 nan 0.000 0.501 588 L N 1.308 122.604 121.223 0.121 0.000 2.395 588 L HA 0.167 4.521 4.340 0.023 0.000 0.218 588 L C 1.574 178.381 176.870 -0.106 0.000 1.130 588 L CA 0.285 55.197 54.840 0.120 0.000 0.826 588 L CB -0.452 41.677 42.059 0.117 0.000 0.941 588 L HN 0.343 nan 8.230 nan 0.000 0.451 589 S N -0.483 115.131 115.700 -0.144 0.000 2.610 589 S HA 0.305 4.788 4.470 0.023 0.000 0.273 589 S C 1.012 175.504 174.600 -0.179 0.000 1.274 589 S CA -0.637 57.415 58.200 -0.247 0.000 1.023 589 S CB 1.461 64.506 63.200 -0.258 0.000 0.962 589 S HN 0.155 nan 8.310 nan 0.000 0.523 590 L N 2.680 123.712 121.223 -0.319 0.000 2.131 590 L HA 0.068 4.421 4.340 0.023 0.000 0.206 590 L C 0.870 177.452 176.870 -0.480 0.000 1.087 590 L CA 1.006 55.559 54.840 -0.479 0.000 0.767 590 L CB -0.242 41.243 42.059 -0.957 0.000 0.917 590 L HN 0.761 nan 8.230 nan 0.000 0.441 591 Y N -2.198 118.108 120.300 0.011 0.000 2.471 591 Y HA 0.350 4.913 4.550 0.023 0.000 0.249 591 Y C 2.123 178.047 175.900 0.040 0.000 1.116 591 Y CA -0.241 57.908 58.100 0.082 0.000 1.240 591 Y CB -0.550 37.997 38.460 0.145 0.000 1.251 591 Y HN -0.037 nan 8.280 nan 0.000 0.527 592 A N 0.634 123.485 122.820 0.051 0.000 1.917 592 A HA -0.125 4.208 4.320 0.023 0.000 0.219 592 A C 0.954 178.576 177.584 0.063 0.000 1.182 592 A CA 1.353 53.393 52.037 0.005 0.000 0.633 592 A CB -0.524 18.429 19.000 -0.078 0.000 0.819 592 A HN 0.164 nan 8.150 nan 0.000 0.448 593 I N 0.747 121.362 120.570 0.074 0.000 2.371 593 I HA 0.276 4.460 4.170 0.023 0.000 0.282 593 I C -2.546 173.645 176.117 0.123 0.000 1.031 593 I CA -2.827 58.524 61.300 0.085 0.000 1.180 593 I CB 0.328 38.367 38.000 0.066 0.000 1.336 593 I HN -0.007 nan 8.210 nan 0.000 0.467 594 P HA -0.029 nan 4.420 nan 0.000 0.265 594 P C 0.032 177.410 177.300 0.130 0.000 1.167 594 P CA 0.661 63.857 63.100 0.160 0.000 0.760 594 P CB 0.512 32.290 31.700 0.130 0.000 0.783 595 D N 0.060 120.544 120.400 0.139 0.000 3.048 595 D HA 0.054 4.708 4.640 0.023 0.000 0.290 595 D C 0.271 176.632 176.300 0.102 0.000 1.667 595 D CA -0.376 53.688 54.000 0.107 0.000 0.835 595 D CB -0.761 40.099 40.800 0.101 0.000 1.438 595 D HN 0.378 nan 8.370 nan 0.000 0.463 596 G N 0.302 109.171 108.800 0.115 0.000 2.380 596 G HA2 0.355 4.329 3.960 0.023 0.000 0.242 596 G HA3 0.355 4.329 3.960 0.023 0.000 0.242 596 G C -0.605 174.334 174.900 0.065 0.000 1.298 596 G CA 0.114 45.276 45.100 0.102 0.000 0.878 596 G HN 0.176 nan 8.290 nan 0.000 0.542 597 D N 1.605 122.036 120.400 0.051 0.000 2.788 597 D HA 0.218 4.871 4.640 0.023 0.000 0.247 597 D C 0.528 176.842 176.300 0.023 0.000 1.236 597 D CA -0.635 53.382 54.000 0.028 0.000 0.898 597 D CB 2.151 42.961 40.800 0.015 0.000 1.401 597 D HN 0.057 nan 8.370 nan 0.000 0.549 598 V N 3.890 123.810 119.914 0.011 0.000 3.052 598 V HA 0.047 4.181 4.120 0.023 0.000 0.254 598 V C 1.185 177.262 176.094 -0.028 0.000 1.100 598 V CA 0.536 62.837 62.300 0.002 0.000 1.112 598 V CB -0.238 31.583 31.823 -0.003 0.000 0.738 598 V HN 0.457 nan 8.190 nan 0.000 0.469 599 K N 0.396 120.771 120.400 -0.043 0.000 2.436 599 K HA 0.262 4.596 4.320 0.023 0.000 0.282 599 K C 1.074 177.631 176.600 -0.073 0.000 1.044 599 K CA 0.994 57.232 56.287 -0.081 0.000 1.028 599 K CB 0.099 32.558 32.500 -0.069 0.000 0.919 599 K HN 0.396 nan 8.250 nan 0.000 0.474 600 G N 3.322 112.047 108.800 -0.125 0.000 2.194 600 G HA2 -0.200 3.773 3.960 0.023 0.000 0.236 600 G HA3 -0.200 3.773 3.960 0.023 0.000 0.236 600 G C 0.081 175.024 174.900 0.071 0.000 0.987 600 G CA -0.315 44.784 45.100 -0.003 0.000 0.635 600 G HN 0.560 nan 8.290 nan 0.000 0.520 601 R N -0.193 120.320 120.500 0.022 0.000 2.652 601 R HA 0.701 5.055 4.340 0.023 0.000 0.271 601 R C 0.090 176.450 176.300 0.100 0.000 1.129 601 R CA -0.069 56.075 56.100 0.074 0.000 1.200 601 R CB 0.873 31.210 30.300 0.062 0.000 1.146 601 R HN 0.703 nan 8.270 nan 0.000 0.581 602 V N 0.269 120.258 119.914 0.125 0.000 2.841 602 V HA 0.461 4.594 4.120 0.023 0.000 0.310 602 V C -1.099 175.063 176.094 0.113 0.000 1.090 602 V CA -0.731 61.657 62.300 0.147 0.000 0.930 602 V CB 2.460 34.392 31.823 0.181 0.000 1.014 602 V HN 0.346 nan 8.190 nan 0.000 0.425 603 V N 5.540 125.515 119.914 0.101 0.000 2.555 603 V HA 0.832 4.966 4.120 0.023 0.000 0.302 603 V C 0.458 176.608 176.094 0.093 0.000 1.038 603 V CA -0.133 62.216 62.300 0.082 0.000 0.887 603 V CB 1.786 33.644 31.823 0.058 0.000 0.991 603 V HN 1.197 nan 8.190 nan 0.000 0.434 604 A N 5.666 128.545 122.820 0.099 0.000 2.301 604 A HA 0.805 5.138 4.320 0.023 0.000 0.298 604 A C -0.552 177.048 177.584 0.027 0.000 1.185 604 A CA -0.295 51.791 52.037 0.083 0.000 0.830 604 A CB 0.141 19.219 19.000 0.131 0.000 1.112 604 A HN 0.756 nan 8.150 nan 0.000 0.508 605 I N 3.406 123.988 120.570 0.020 0.000 2.354 605 I HA 0.209 4.393 4.170 0.023 0.000 0.286 605 I C -0.584 175.544 176.117 0.019 0.000 1.007 605 I CA -0.136 61.176 61.300 0.021 0.000 1.167 605 I CB 1.363 39.386 38.000 0.039 0.000 1.320 605 I HN 0.486 nan 8.210 nan 0.000 0.458 606 L N 7.293 128.515 121.223 -0.003 0.000 2.295 606 L HA 0.412 4.766 4.340 0.023 0.000 0.288 606 L C 0.002 176.974 176.870 0.169 0.000 1.079 606 L CA -0.270 54.617 54.840 0.077 0.000 0.830 606 L CB 0.114 42.083 42.059 -0.150 0.000 1.200 606 L HN 0.456 nan 8.230 nan 0.000 0.438 607 L N 3.486 124.866 121.223 0.260 0.000 2.454 607 L HA 0.414 4.767 4.340 0.023 0.000 0.256 607 L C 0.068 177.125 176.870 0.311 0.000 1.136 607 L CA -0.571 54.373 54.840 0.174 0.000 0.804 607 L CB 1.154 43.214 42.059 0.000 0.000 1.181 607 L HN 0.692 nan 8.230 nan 0.000 0.469 608 N N -2.227 116.550 118.700 0.129 0.000 2.831 608 N HA 0.214 4.967 4.740 0.023 0.000 0.276 608 N C -0.614 174.871 175.510 -0.041 0.000 1.416 608 N CA -0.775 52.397 53.050 0.203 0.000 0.799 608 N CB 0.663 39.258 38.487 0.180 0.000 1.554 608 N HN 0.520 nan 8.380 nan 0.000 0.541 609 D N -1.639 118.772 120.400 0.018 0.000 2.324 609 D HA 0.037 4.691 4.640 0.023 0.000 0.235 609 D C -0.451 175.817 176.300 -0.055 0.000 1.095 609 D CA 0.484 54.436 54.000 -0.080 0.000 0.871 609 D CB -0.193 40.619 40.800 0.021 0.000 0.906 609 D HN 0.667 nan 8.370 nan 0.000 0.522 610 E N 0.400 120.579 120.200 -0.035 0.000 3.844 610 E HA 0.109 4.473 4.350 0.023 0.000 0.260 610 E C -0.954 175.632 176.600 -0.025 0.000 1.163 610 E CA -0.250 56.132 56.400 -0.030 0.000 1.261 610 E CB 1.397 31.090 29.700 -0.013 0.000 1.261 610 E HN -0.055 nan 8.360 nan 0.000 0.399 611 V N 1.628 121.521 119.914 -0.035 0.000 2.788 611 V HA -0.033 4.101 4.120 0.023 0.000 0.307 611 V C 1.010 177.088 176.094 -0.027 0.000 1.069 611 V CA 0.606 62.891 62.300 -0.024 0.000 1.173 611 V CB 0.499 32.303 31.823 -0.032 0.000 0.925 611 V HN 0.383 nan 8.190 nan 0.000 0.492 612 R N 3.442 123.926 120.500 -0.026 0.000 2.399 612 R HA 0.035 4.389 4.340 0.023 0.000 0.324 612 R C 1.472 177.751 176.300 -0.036 0.000 1.030 612 R CA 0.493 56.572 56.100 -0.034 0.000 0.984 612 R CB 0.435 30.709 30.300 -0.043 0.000 0.961 612 R HN 0.982 nan 8.270 nan 0.000 0.433 613 S N 3.423 119.104 115.700 -0.033 0.000 2.447 613 S HA -0.151 4.333 4.470 0.023 0.000 0.233 613 S C 1.920 176.501 174.600 -0.032 0.000 1.006 613 S CA 0.637 58.819 58.200 -0.031 0.000 0.957 613 S CB 0.019 63.203 63.200 -0.027 0.000 0.773 613 S HN 0.709 nan 8.310 nan 0.000 0.507 614 A N 2.381 125.178 122.820 -0.038 0.000 1.902 614 A HA -0.119 4.215 4.320 0.023 0.000 0.217 614 A C 1.983 179.532 177.584 -0.058 0.000 1.181 614 A CA 1.678 53.689 52.037 -0.043 0.000 0.623 614 A CB -0.768 18.204 19.000 -0.046 0.000 0.818 614 A HN 0.444 nan 8.150 nan 0.000 0.443 615 D N -0.234 120.122 120.400 -0.073 0.000 2.097 615 D HA -0.092 4.561 4.640 0.023 0.000 0.197 615 D C 1.954 178.217 176.300 -0.062 0.000 0.984 615 D CA 0.739 54.677 54.000 -0.103 0.000 0.826 615 D CB -0.346 40.379 40.800 -0.124 0.000 0.973 615 D HN 0.360 nan 8.370 nan 0.000 0.460 616 L N 0.485 121.686 121.223 -0.038 0.000 2.046 616 L HA -0.151 4.203 4.340 0.023 0.000 0.208 616 L C 2.429 179.293 176.870 -0.009 0.000 1.077 616 L CA 0.793 55.624 54.840 -0.016 0.000 0.747 616 L CB -0.191 41.859 42.059 -0.015 0.000 0.896 616 L HN 0.102 nan 8.230 nan 0.000 0.432 617 L N -0.836 120.377 121.223 -0.016 0.000 2.046 617 L HA -0.216 4.137 4.340 0.023 0.000 0.208 617 L C 2.815 179.683 176.870 -0.004 0.000 1.077 617 L CA 1.281 56.116 54.840 -0.009 0.000 0.747 617 L CB -0.707 41.344 42.059 -0.014 0.000 0.896 617 L HN 0.287 nan 8.230 nan 0.000 0.432 618 A N 0.345 123.157 122.820 -0.013 0.000 1.877 618 A HA -0.186 4.147 4.320 0.023 0.000 0.216 618 A C 2.163 179.761 177.584 0.023 0.000 1.186 618 A CA 1.505 53.541 52.037 -0.003 0.000 0.620 618 A CB -0.604 18.381 19.000 -0.024 0.000 0.822 618 A HN 0.333 nan 8.150 nan 0.000 0.443 619 I N -0.327 120.258 120.570 0.024 0.000 2.142 619 I HA -0.269 3.915 4.170 0.023 0.000 0.240 619 I C 2.431 178.575 176.117 0.045 0.000 1.078 619 I CA 1.295 62.631 61.300 0.060 0.000 1.343 619 I CB -0.432 37.608 38.000 0.067 0.000 1.046 619 I HN 0.279 nan 8.210 nan 0.000 0.405 620 L N 0.286 121.527 121.223 0.030 0.000 2.042 620 L HA -0.239 4.115 4.340 0.023 0.000 0.210 620 L C 2.668 179.551 176.870 0.022 0.000 1.076 620 L CA 1.409 56.265 54.840 0.027 0.000 0.749 620 L CB -0.668 41.404 42.059 0.022 0.000 0.893 620 L HN 0.211 nan 8.230 nan 0.000 0.432 621 K N 0.108 120.518 120.400 0.017 0.000 2.057 621 K HA -0.168 4.166 4.320 0.023 0.000 0.207 621 K C 2.188 178.796 176.600 0.013 0.000 1.049 621 K CA 1.461 57.756 56.287 0.013 0.000 0.931 621 K CB -0.142 32.364 32.500 0.010 0.000 0.714 621 K HN 0.295 nan 8.250 nan 0.000 0.440 622 A N 1.421 124.254 122.820 0.021 0.000 1.902 622 A HA -0.144 4.190 4.320 0.023 0.000 0.217 622 A C 2.187 179.777 177.584 0.009 0.000 1.181 622 A CA 1.217 53.266 52.037 0.021 0.000 0.623 622 A CB -0.560 18.465 19.000 0.041 0.000 0.818 622 A HN 0.215 nan 8.150 nan 0.000 0.443 623 L N -0.725 120.505 121.223 0.012 0.000 2.017 623 L HA -0.182 4.172 4.340 0.023 0.000 0.208 623 L C 2.700 179.550 176.870 -0.032 0.000 1.073 623 L CA 1.655 56.490 54.840 -0.007 0.000 0.745 623 L CB -0.521 41.543 42.059 0.008 0.000 0.894 623 L HN 0.326 nan 8.230 nan 0.000 0.432 624 K N 0.858 121.248 120.400 -0.016 0.000 2.063 624 K HA -0.199 4.135 4.320 0.023 0.000 0.208 624 K C 2.031 178.614 176.600 -0.029 0.000 1.048 624 K CA 1.724 57.998 56.287 -0.021 0.000 0.928 624 K CB -0.181 32.321 32.500 0.002 0.000 0.713 624 K HN 0.286 nan 8.250 nan 0.000 0.442 625 A N 1.326 124.136 122.820 -0.018 0.000 1.933 625 A HA -0.119 4.215 4.320 0.023 0.000 0.218 625 A C 1.707 179.273 177.584 -0.028 0.000 1.175 625 A CA 1.446 53.473 52.037 -0.017 0.000 0.628 625 A CB -0.151 18.845 19.000 -0.007 0.000 0.814 625 A HN 0.189 nan 8.150 nan 0.000 0.444 626 K N -1.187 119.190 120.400 -0.038 0.000 2.387 626 K HA 0.215 4.548 4.320 0.023 0.000 0.198 626 K C 0.987 177.536 176.600 -0.085 0.000 1.022 626 K CA 0.615 56.873 56.287 -0.049 0.000 1.128 626 K CB -0.244 32.234 32.500 -0.038 0.000 0.853 626 K HN 0.783 nan 8.250 nan 0.000 0.523 627 G N 1.260 109.990 108.800 -0.116 0.000 2.147 627 G HA2 -0.234 3.740 3.960 0.023 0.000 0.244 627 G HA3 -0.234 3.740 3.960 0.023 0.000 0.244 627 G C 0.004 174.685 174.900 -0.364 0.000 1.005 627 G CA 0.174 45.153 45.100 -0.202 0.000 0.713 627 G HN 0.134 nan 8.290 nan 0.000 0.515 628 V N 1.174 120.929 119.914 -0.265 0.000 2.406 628 V HA 0.437 4.571 4.120 0.023 0.000 0.272 628 V C 0.820 176.769 176.094 -0.242 0.000 1.043 628 V CA -0.678 61.477 62.300 -0.242 0.000 0.915 628 V CB 0.852 32.620 31.823 -0.091 0.000 0.988 628 V HN 0.457 nan 8.190 nan 0.000 0.466 629 H N 2.172 121.253 119.070 0.019 0.000 2.546 629 H HA 0.738 5.308 4.556 0.023 0.000 0.365 629 H C 0.263 175.611 175.328 0.033 0.000 1.220 629 H CA 0.157 56.219 56.048 0.023 0.000 1.386 629 H CB 1.188 30.965 29.762 0.025 0.000 1.510 629 H HN 0.823 nan 8.280 nan 0.000 0.591 630 A N 1.171 124.100 122.820 0.182 0.000 2.454 630 A HA 0.552 4.885 4.320 0.023 0.000 0.302 630 A C -1.152 176.489 177.584 0.095 0.000 1.079 630 A CA -1.010 51.094 52.037 0.111 0.000 0.731 630 A CB 1.252 20.300 19.000 0.079 0.000 1.299 630 A HN 0.793 nan 8.150 nan 0.000 0.413 631 K N 2.169 122.619 120.400 0.082 0.000 2.545 631 K HA 0.635 4.969 4.320 0.023 0.000 0.252 631 K C -1.642 174.989 176.600 0.052 0.000 0.948 631 K CA -0.472 55.855 56.287 0.068 0.000 0.827 631 K CB 1.240 33.789 32.500 0.081 0.000 1.128 631 K HN 0.516 nan 8.250 nan 0.000 0.429 632 L N 4.453 125.698 121.223 0.037 0.000 2.315 632 L HA 0.268 4.622 4.340 0.023 0.000 0.283 632 L C -0.617 176.265 176.870 0.021 0.000 1.089 632 L CA -0.872 53.983 54.840 0.026 0.000 0.833 632 L CB 0.178 42.242 42.059 0.010 0.000 1.170 632 L HN 0.513 nan 8.230 nan 0.000 0.442 633 L N 4.471 125.712 121.223 0.030 0.000 2.330 633 L HA 0.627 4.981 4.340 0.023 0.000 0.271 633 L C -0.502 176.346 176.870 -0.036 0.000 1.013 633 L CA -0.339 54.493 54.840 -0.014 0.000 0.816 633 L CB 1.653 43.722 42.059 0.016 0.000 1.287 633 L HN 0.339 nan 8.230 nan 0.000 0.435 634 Y N -1.001 118.953 120.300 -0.577 0.000 2.853 634 Y HA 0.259 4.823 4.550 0.023 0.000 0.326 634 Y C 0.747 175.915 175.900 -1.220 0.000 1.384 634 Y CA -0.556 57.069 58.100 -0.792 0.000 1.077 634 Y CB 1.310 39.597 38.460 -0.290 0.000 1.395 634 Y HN 0.545 nan 8.280 nan 0.000 0.451 635 S N 0.909 115.590 115.700 -1.698 0.000 2.603 635 S HA 0.236 4.719 4.470 0.023 0.000 0.220 635 S C 0.039 174.311 174.600 -0.548 0.000 0.967 635 S CA 0.495 58.111 58.200 -0.974 0.000 0.920 635 S CB -0.364 62.447 63.200 -0.650 0.000 0.773 635 S HN 0.629 nan 8.310 nan 0.000 0.529 636 R N -1.360 118.909 120.500 -0.385 0.000 2.716 636 R HA 0.583 4.937 4.340 0.023 0.000 0.271 636 R C -0.852 175.443 176.300 -0.008 0.000 1.028 636 R CA -1.087 54.941 56.100 -0.120 0.000 0.883 636 R CB 0.480 30.758 30.300 -0.037 0.000 1.250 636 R HN -0.063 nan 8.270 nan 0.000 0.465 637 M N 0.329 119.924 119.600 -0.007 0.000 2.012 637 M HA 0.523 5.017 4.480 0.023 0.000 0.248 637 M C 1.031 177.349 176.300 0.030 0.000 1.238 637 M CA 1.083 56.389 55.300 0.009 0.000 0.980 637 M CB 0.455 33.052 32.600 -0.005 0.000 1.346 637 M HN 1.059 nan 8.290 nan 0.000 0.511 638 G N 0.771 109.580 108.800 0.015 0.000 2.460 638 G HA2 -0.098 3.875 3.960 0.023 0.000 0.207 638 G HA3 -0.098 3.875 3.960 0.023 0.000 0.207 638 G C -1.067 173.829 174.900 -0.006 0.000 1.170 638 G CA -0.555 44.551 45.100 0.010 0.000 1.151 638 G HN 0.619 nan 8.290 nan 0.000 0.575 639 E N -1.167 119.021 120.200 -0.019 0.000 2.393 639 E HA 0.631 4.995 4.350 0.023 0.000 0.273 639 E C -0.544 175.999 176.600 -0.095 0.000 0.918 639 E CA -0.556 55.813 56.400 -0.052 0.000 0.773 639 E CB 2.996 32.672 29.700 -0.039 0.000 1.275 639 E HN 1.338 nan 8.360 nan 0.000 0.451 640 V N -2.005 117.820 119.914 -0.149 0.000 3.040 640 V HA 0.737 4.871 4.120 0.023 0.000 0.312 640 V C -0.653 175.362 176.094 -0.131 0.000 1.115 640 V CA -0.652 61.525 62.300 -0.204 0.000 0.998 640 V CB 2.000 33.566 31.823 -0.427 0.000 1.042 640 V HN 0.641 nan 8.190 nan 0.000 0.433 641 T N 2.809 117.299 114.554 -0.105 0.000 2.770 641 T HA 0.779 5.142 4.350 0.023 0.000 0.283 641 T C 0.396 175.056 174.700 -0.067 0.000 0.988 641 T CA 0.308 62.366 62.100 -0.071 0.000 0.957 641 T CB 1.253 70.093 68.868 -0.047 0.000 0.930 641 T HN 1.402 nan 8.240 nan 0.000 0.443 642 A N 2.565 125.350 122.820 -0.058 0.000 2.387 642 A HA 0.251 4.584 4.320 0.023 0.000 0.251 642 A C 1.678 179.240 177.584 -0.037 0.000 1.113 642 A CA -0.114 51.894 52.037 -0.049 0.000 0.794 642 A CB 0.019 18.995 19.000 -0.041 0.000 1.069 642 A HN 0.925 nan 8.150 nan 0.000 0.506 643 D N -0.116 120.266 120.400 -0.031 0.000 2.182 643 D HA -0.198 4.455 4.640 0.023 0.000 0.201 643 D C 0.671 176.957 176.300 -0.022 0.000 0.986 643 D CA 1.633 55.618 54.000 -0.025 0.000 0.847 643 D CB -0.356 40.431 40.800 -0.023 0.000 0.942 643 D HN 0.614 nan 8.370 nan 0.000 0.467 644 D N -1.409 118.977 120.400 -0.023 0.000 2.328 644 D HA 0.180 4.834 4.640 0.023 0.000 0.221 644 D C 1.616 177.904 176.300 -0.019 0.000 1.072 644 D CA 0.503 54.491 54.000 -0.020 0.000 0.850 644 D CB -0.114 40.675 40.800 -0.019 0.000 0.922 644 D HN 0.398 nan 8.370 nan 0.000 0.516 645 G N -0.053 108.733 108.800 -0.022 0.000 2.175 645 G HA2 -0.261 3.713 3.960 0.023 0.000 0.244 645 G HA3 -0.261 3.713 3.960 0.023 0.000 0.244 645 G C 0.381 175.267 174.900 -0.023 0.000 0.982 645 G CA 0.218 45.305 45.100 -0.022 0.000 0.641 645 G HN 0.427 nan 8.290 nan 0.000 0.527 646 T N 1.203 115.742 114.554 -0.025 0.000 2.902 646 T HA 0.407 4.770 4.350 0.023 0.000 0.301 646 T C 0.697 175.377 174.700 -0.032 0.000 1.012 646 T CA 0.096 62.181 62.100 -0.025 0.000 1.151 646 T CB 2.115 70.968 68.868 -0.025 0.000 0.946 646 T HN 0.436 nan 8.240 nan 0.000 0.542 647 V N 5.239 125.135 119.914 -0.029 0.000 2.432 647 V HA 0.235 4.369 4.120 0.023 0.000 0.271 647 V C -0.183 175.889 176.094 -0.037 0.000 1.046 647 V CA -0.669 61.611 62.300 -0.035 0.000 0.945 647 V CB 0.909 32.717 31.823 -0.026 0.000 0.992 647 V HN 0.543 nan 8.190 nan 0.000 0.471 648 L N 9.050 130.241 121.223 -0.053 0.000 2.298 648 L HA 0.534 4.887 4.340 0.023 0.000 0.284 648 L C -2.179 174.659 176.870 -0.054 0.000 1.013 648 L CA -2.386 52.422 54.840 -0.053 0.000 0.824 648 L CB 1.719 43.734 42.059 -0.074 0.000 1.221 648 L HN 0.423 nan 8.230 nan 0.000 0.418 649 P HA 0.245 nan 4.420 nan 0.000 0.281 649 P C -0.383 176.904 177.300 -0.021 0.000 1.252 649 P CA -0.173 62.913 63.100 -0.023 0.000 0.778 649 P CB 0.924 32.617 31.700 -0.011 0.000 0.895 650 I N 2.695 123.255 120.570 -0.018 0.000 2.342 650 I HA 0.205 4.389 4.170 0.023 0.000 0.291 650 I C 1.605 177.722 176.117 -0.001 0.000 1.010 650 I CA -0.358 60.937 61.300 -0.009 0.000 1.308 650 I CB 1.438 39.441 38.000 0.006 0.000 1.400 650 I HN 0.360 nan 8.210 nan 0.000 0.488 651 A N 5.282 128.105 122.820 0.004 0.000 1.930 651 A HA 0.561 4.894 4.320 0.023 0.000 0.215 651 A C 0.972 178.561 177.584 0.008 0.000 1.176 651 A CA 1.271 53.315 52.037 0.011 0.000 0.632 651 A CB 0.007 19.020 19.000 0.023 0.000 0.819 651 A HN 0.826 nan 8.150 nan 0.000 0.445 652 A N -2.283 120.535 122.820 -0.003 0.000 2.544 652 A HA 0.558 4.891 4.320 0.023 0.000 0.291 652 A C -0.028 177.517 177.584 -0.065 0.000 1.055 652 A CA 0.062 52.092 52.037 -0.010 0.000 0.651 652 A CB -0.372 18.644 19.000 0.027 0.000 1.296 652 A HN 0.789 nan 8.150 nan 0.000 0.431 653 T N -1.548 112.956 114.554 -0.083 0.000 2.824 653 T HA 0.568 4.931 4.350 0.023 0.000 0.277 653 T C 0.974 175.609 174.700 -0.107 0.000 0.975 653 T CA 0.198 62.170 62.100 -0.213 0.000 0.966 653 T CB 0.051 68.820 68.868 -0.165 0.000 1.054 653 T HN 0.496 nan 8.240 nan 0.000 0.533 654 F N 0.429 120.397 119.950 0.030 0.000 2.126 654 F HA 0.016 4.557 4.527 0.023 0.000 0.299 654 F C 2.990 178.919 175.800 0.215 0.000 1.096 654 F CA 0.949 59.024 58.000 0.124 0.000 1.255 654 F CB -0.747 38.301 39.000 0.079 0.000 0.997 654 F HN 0.684 nan 8.300 nan 0.000 0.479 655 A N 0.347 123.327 122.820 0.266 0.000 1.968 655 A HA 0.038 4.372 4.320 0.023 0.000 0.217 655 A C 2.429 180.079 177.584 0.110 0.000 1.169 655 A CA 1.470 53.606 52.037 0.165 0.000 0.638 655 A CB -1.408 17.647 19.000 0.093 0.000 0.812 655 A HN 0.399 nan 8.150 nan 0.000 0.446 656 G N -0.822 108.028 108.800 0.084 0.000 2.430 656 G HA2 0.281 4.255 3.960 0.023 0.000 0.216 656 G HA3 0.281 4.255 3.960 0.023 0.000 0.216 656 G C 0.729 175.676 174.900 0.079 0.000 1.146 656 G CA 0.886 46.020 45.100 0.057 0.000 0.793 656 G HN 0.984 nan 8.290 nan 0.000 0.537 657 A N 1.423 124.324 122.820 0.136 0.000 2.938 657 A HA 0.673 5.007 4.320 0.023 0.000 0.344 657 A C -2.448 175.277 177.584 0.234 0.000 1.142 657 A CA -1.284 50.846 52.037 0.155 0.000 0.841 657 A CB 0.911 20.002 19.000 0.152 0.000 1.083 657 A HN 0.154 nan 8.150 nan 0.000 0.479 658 P HA -0.019 nan 4.420 nan 0.000 0.269 658 P C 1.314 178.469 177.300 -0.243 0.000 1.217 658 P CA 0.510 63.563 63.100 -0.078 0.000 0.783 658 P CB 0.770 32.405 31.700 -0.109 0.000 0.898 659 S N 1.518 116.691 115.700 -0.878 0.000 2.420 659 S HA -0.188 4.296 4.470 0.023 0.000 0.237 659 S C 1.839 176.298 174.600 -0.234 0.000 1.023 659 S CA 1.199 59.024 58.200 -0.625 0.000 0.991 659 S CB -1.358 61.363 63.200 -0.800 0.000 0.792 659 S HN 0.395 nan 8.310 nan 0.000 0.488 660 L N 1.699 122.793 121.223 -0.214 0.000 2.189 660 L HA -0.085 4.268 4.340 0.023 0.000 0.214 660 L C 2.871 179.584 176.870 -0.261 0.000 1.097 660 L CA 1.603 56.320 54.840 -0.205 0.000 0.764 660 L CB -1.294 40.620 42.059 -0.241 0.000 0.900 660 L HN 0.656 nan 8.230 nan 0.000 0.436 661 T N -3.340 111.133 114.554 -0.135 0.000 3.107 661 T HA 0.239 4.603 4.350 0.023 0.000 0.249 661 T C 0.371 175.180 174.700 0.182 0.000 1.096 661 T CA 0.073 62.185 62.100 0.020 0.000 1.012 661 T CB -0.317 68.643 68.868 0.153 0.000 0.977 661 T HN 0.130 nan 8.240 nan 0.000 0.527 662 V N -2.398 117.581 119.914 0.108 0.000 3.103 662 V HA 0.573 4.707 4.120 0.023 0.000 0.318 662 V C 0.026 176.173 176.094 0.090 0.000 1.114 662 V CA -0.944 61.438 62.300 0.137 0.000 1.020 662 V CB 2.089 34.003 31.823 0.151 0.000 1.085 662 V HN 0.020 nan 8.190 nan 0.000 0.446 663 D N 0.954 121.407 120.400 0.089 0.000 2.327 663 D HA 0.446 5.100 4.640 0.023 0.000 0.205 663 D C 0.590 176.883 176.300 -0.011 0.000 0.989 663 D CA 1.513 55.538 54.000 0.043 0.000 0.873 663 D CB 1.423 42.270 40.800 0.078 0.000 0.955 663 D HN 0.938 nan 8.370 nan 0.000 0.515 664 A N 0.196 123.026 122.820 0.017 0.000 2.599 664 A HA 0.564 4.898 4.320 0.023 0.000 0.290 664 A C -1.523 176.082 177.584 0.035 0.000 1.101 664 A CA -0.540 51.492 52.037 -0.008 0.000 0.674 664 A CB 1.712 20.696 19.000 -0.027 0.000 1.277 664 A HN -0.101 nan 8.150 nan 0.000 0.419 665 V N 1.109 121.035 119.914 0.020 0.000 2.638 665 V HA 0.564 4.698 4.120 0.023 0.000 0.306 665 V C -0.785 175.316 176.094 0.011 0.000 1.052 665 V CA -0.212 62.109 62.300 0.035 0.000 0.885 665 V CB 1.543 33.401 31.823 0.058 0.000 0.999 665 V HN 0.694 nan 8.190 nan 0.000 0.424 666 I N 4.369 124.953 120.570 0.024 0.000 2.466 666 I HA 0.555 4.738 4.170 0.023 0.000 0.289 666 I C -0.958 175.194 176.117 0.058 0.000 1.026 666 I CA -0.914 60.429 61.300 0.071 0.000 1.078 666 I CB 2.247 40.317 38.000 0.116 0.000 1.249 666 I HN 0.276 nan 8.210 nan 0.000 0.429 667 V N 7.488 127.458 119.914 0.092 0.000 2.350 667 V HA 0.352 4.485 4.120 0.023 0.000 0.285 667 V C -2.178 173.989 176.094 0.121 0.000 1.014 667 V CA -1.612 60.737 62.300 0.081 0.000 0.831 667 V CB 1.465 33.329 31.823 0.068 0.000 1.000 667 V HN 0.564 nan 8.190 nan 0.000 0.433 668 P HA 0.234 nan 4.420 nan 0.000 0.276 668 P C 0.073 177.393 177.300 0.034 0.000 1.252 668 P CA -0.317 62.800 63.100 0.028 0.000 0.802 668 P CB 1.231 32.935 31.700 0.007 0.000 1.035 669 C N 0.695 119.989 119.300 -0.011 0.000 2.553 669 C HA 0.747 5.221 4.460 0.023 0.000 0.345 669 C C 1.261 176.252 174.990 0.002 0.000 1.369 669 C CA 1.535 60.551 59.018 -0.003 0.000 2.447 669 C CB -0.625 27.096 27.740 -0.032 0.000 2.358 669 C HN 0.908 nan 8.230 nan 0.000 0.676 670 G N 1.121 109.922 108.800 0.003 0.000 2.470 670 G HA2 0.027 4.001 3.960 0.023 0.000 0.145 670 G HA3 0.027 4.001 3.960 0.023 0.000 0.145 670 G C -0.788 174.117 174.900 0.008 0.000 1.223 670 G CA -0.072 45.030 45.100 0.003 0.000 1.058 670 G HN 0.932 nan 8.290 nan 0.000 0.469 671 N N 1.569 120.281 118.700 0.020 0.000 3.034 671 N HA 0.172 4.925 4.740 0.023 0.000 0.265 671 N C 1.240 176.776 175.510 0.043 0.000 1.166 671 N CA -0.658 52.406 53.050 0.023 0.000 1.081 671 N CB -0.041 38.461 38.487 0.026 0.000 1.378 671 N HN 0.331 nan 8.380 nan 0.000 0.520 672 I N 1.838 122.420 120.570 0.021 0.000 2.423 672 I HA -0.224 3.960 4.170 0.023 0.000 0.254 672 I C 2.415 178.523 176.117 -0.014 0.000 1.151 672 I CA 0.746 62.052 61.300 0.010 0.000 1.421 672 I CB -1.485 36.474 38.000 -0.068 0.000 1.079 672 I HN 0.459 nan 8.210 nan 0.000 0.431 673 A N 0.611 123.420 122.820 -0.018 0.000 2.019 673 A HA -0.269 4.064 4.320 0.023 0.000 0.219 673 A C 2.083 179.686 177.584 0.031 0.000 1.164 673 A CA 1.947 53.974 52.037 -0.016 0.000 0.644 673 A CB -0.697 18.295 19.000 -0.014 0.000 0.805 673 A HN 0.418 nan 8.150 nan 0.000 0.449 674 D N 0.469 120.911 120.400 0.069 0.000 2.133 674 D HA -0.172 4.481 4.640 0.023 0.000 0.195 674 D C 1.513 177.899 176.300 0.144 0.000 0.997 674 D CA 1.915 55.987 54.000 0.119 0.000 0.840 674 D CB -0.187 40.715 40.800 0.171 0.000 0.947 674 D HN 0.642 nan 8.370 nan 0.000 0.452 675 I N -3.945 116.728 120.570 0.171 0.000 4.154 675 I HA 0.489 4.673 4.170 0.023 0.000 0.334 675 I C 1.837 178.078 176.117 0.207 0.000 1.371 675 I CA -0.085 61.337 61.300 0.204 0.000 1.110 675 I CB 0.148 38.316 38.000 0.279 0.000 1.085 675 I HN -0.091 nan 8.210 nan 0.000 0.398 676 A N 1.634 124.502 122.820 0.080 0.000 1.986 676 A HA -0.208 4.126 4.320 0.023 0.000 0.220 676 A C 1.404 179.005 177.584 0.029 0.000 1.171 676 A CA 2.261 54.254 52.037 -0.073 0.000 0.640 676 A CB -0.528 18.361 19.000 -0.185 0.000 0.811 676 A HN 0.489 nan 8.150 nan 0.000 0.451 677 D N -0.942 119.484 120.400 0.045 0.000 2.424 677 D HA 0.072 4.725 4.640 0.023 0.000 0.220 677 D C -0.010 176.324 176.300 0.058 0.000 1.150 677 D CA -0.217 53.808 54.000 0.042 0.000 0.831 677 D CB -0.098 40.713 40.800 0.018 0.000 0.981 677 D HN 0.329 nan 8.370 nan 0.000 0.500 678 N N 0.709 119.458 118.700 0.081 0.000 2.401 678 N HA 0.044 4.798 4.740 0.023 0.000 0.255 678 N C 1.401 176.941 175.510 0.050 0.000 1.110 678 N CA 0.059 53.150 53.050 0.069 0.000 0.949 678 N CB 1.366 39.908 38.487 0.092 0.000 1.110 678 N HN 0.093 nan 8.380 nan 0.000 0.490 679 G N 3.426 112.258 108.800 0.053 0.000 2.469 679 G HA2 -0.284 3.690 3.960 0.023 0.000 0.219 679 G HA3 -0.284 3.690 3.960 0.023 0.000 0.219 679 G C 1.002 175.946 174.900 0.073 0.000 1.150 679 G CA 0.625 45.757 45.100 0.055 0.000 0.763 679 G HN 0.593 nan 8.290 nan 0.000 0.561 680 D N 0.782 121.231 120.400 0.083 0.000 2.144 680 D HA -0.003 4.651 4.640 0.023 0.000 0.199 680 D C 2.818 179.114 176.300 -0.007 0.000 0.984 680 D CA 1.170 55.252 54.000 0.136 0.000 0.834 680 D CB -0.402 40.544 40.800 0.244 0.000 0.955 680 D HN 0.317 nan 8.370 nan 0.000 0.465 681 A N 1.079 123.721 122.820 -0.297 0.000 1.873 681 A HA -0.171 4.162 4.320 0.023 0.000 0.215 681 A C 2.036 179.380 177.584 -0.400 0.000 1.186 681 A CA 1.178 52.781 52.037 -0.724 0.000 0.616 681 A CB -0.434 18.084 19.000 -0.804 0.000 0.823 681 A HN 0.151 nan 8.150 nan 0.000 0.442 682 N N -1.417 117.194 118.700 -0.149 0.000 2.058 682 N HA -0.189 4.565 4.740 0.023 0.000 0.191 682 N C 1.748 177.230 175.510 -0.048 0.000 1.037 682 N CA 1.806 54.821 53.050 -0.058 0.000 0.848 682 N CB -0.527 38.005 38.487 0.076 0.000 1.021 682 N HN 0.648 nan 8.380 nan 0.000 0.422 683 Y N 0.908 121.164 120.300 -0.072 0.000 2.151 683 Y HA -0.337 4.226 4.550 0.023 0.000 0.284 683 Y C 2.445 178.295 175.900 -0.083 0.000 1.166 683 Y CA 1.579 59.638 58.100 -0.069 0.000 1.163 683 Y CB -0.504 37.925 38.460 -0.053 0.000 0.974 683 Y HN 0.052 nan 8.280 nan 0.000 0.511 684 Y N 0.367 120.545 120.300 -0.204 0.000 2.102 684 Y HA -0.375 4.189 4.550 0.023 0.000 0.280 684 Y C 2.184 177.883 175.900 -0.335 0.000 1.178 684 Y CA 2.327 60.272 58.100 -0.258 0.000 1.146 684 Y CB -0.604 37.706 38.460 -0.250 0.000 0.968 684 Y HN 0.149 nan 8.280 nan 0.000 0.504 685 L N -1.273 119.873 121.223 -0.129 0.000 2.093 685 L HA -0.257 4.097 4.340 0.023 0.000 0.208 685 L C 2.463 179.209 176.870 -0.207 0.000 1.085 685 L CA 1.338 56.082 54.840 -0.160 0.000 0.755 685 L CB -0.517 41.405 42.059 -0.229 0.000 0.904 685 L HN 0.285 nan 8.230 nan 0.000 0.435 686 M N -0.507 118.911 119.600 -0.303 0.000 2.108 686 M HA -0.249 4.245 4.480 0.023 0.000 0.261 686 M C 2.290 178.337 176.300 -0.420 0.000 1.066 686 M CA 1.812 56.922 55.300 -0.316 0.000 1.107 686 M CB -0.363 32.043 32.600 -0.324 0.000 1.356 686 M HN 0.232 nan 8.290 nan 0.000 0.406 687 E N 0.409 120.177 120.200 -0.719 0.000 2.028 687 E HA -0.187 4.177 4.350 0.023 0.000 0.191 687 E C 1.984 178.232 176.600 -0.586 0.000 0.988 687 E CA 1.314 57.254 56.400 -0.766 0.000 0.799 687 E CB -0.018 29.181 29.700 -0.835 0.000 0.755 687 E HN 0.471 nan 8.360 nan 0.000 0.447 688 A N 0.192 122.784 122.820 -0.381 0.000 1.933 688 A HA -0.206 4.127 4.320 0.023 0.000 0.218 688 A C 2.024 179.515 177.584 -0.156 0.000 1.175 688 A CA 1.479 53.388 52.037 -0.213 0.000 0.628 688 A CB -0.853 18.081 19.000 -0.110 0.000 0.814 688 A HN 0.582 nan 8.150 nan 0.000 0.444 689 Y N 0.387 120.538 120.300 -0.248 0.000 2.163 689 Y HA -0.152 4.412 4.550 0.023 0.000 0.288 689 Y C 2.377 178.162 175.900 -0.192 0.000 1.136 689 Y CA 2.229 60.213 58.100 -0.193 0.000 1.147 689 Y CB -0.194 38.166 38.460 -0.167 0.000 0.987 689 Y HN 0.286 nan 8.280 nan 0.000 0.509 690 K N -0.494 119.816 120.400 -0.151 0.000 2.103 690 K HA -0.228 4.105 4.320 0.023 0.000 0.207 690 K C 0.814 177.323 176.600 -0.152 0.000 1.048 690 K CA 2.016 58.185 56.287 -0.196 0.000 0.930 690 K CB -0.434 31.895 32.500 -0.285 0.000 0.716 690 K HN 0.580 nan 8.250 nan 0.000 0.444 691 H N 0.470 119.433 119.070 -0.180 0.000 2.567 691 H HA 0.184 4.754 4.556 0.023 0.000 0.294 691 H C -0.082 175.098 175.328 -0.246 0.000 1.050 691 H CA 0.020 55.958 56.048 -0.183 0.000 1.168 691 H CB 0.042 29.692 29.762 -0.186 0.000 1.422 691 H HN 0.127 nan 8.280 nan 0.000 0.562 692 L N -0.183 120.912 121.223 -0.213 0.000 4.040 692 L HA -0.289 4.065 4.340 0.023 0.000 0.410 692 L C -0.300 176.320 176.870 -0.416 0.000 1.187 692 L CA 0.675 55.294 54.840 -0.368 0.000 0.956 692 L CB -1.762 40.060 42.059 -0.395 0.000 2.022 692 L HN 0.329 nan 8.230 nan 0.000 0.897 693 K N 0.875 121.094 120.400 -0.302 0.000 2.174 693 K HA 0.461 4.795 4.320 0.023 0.000 0.275 693 K C -2.131 174.339 176.600 -0.217 0.000 1.015 693 K CA -1.809 54.320 56.287 -0.262 0.000 0.933 693 K CB 0.704 33.107 32.500 -0.162 0.000 1.025 693 K HN -0.209 nan 8.250 nan 0.000 0.463 694 P HA 0.056 nan 4.420 nan 0.000 0.268 694 P C -0.767 176.471 177.300 -0.103 0.000 1.204 694 P CA 0.400 63.403 63.100 -0.162 0.000 0.768 694 P CB 0.424 32.030 31.700 -0.157 0.000 0.842 695 I N 1.895 122.416 120.570 -0.081 0.000 2.608 695 I HA 0.655 4.839 4.170 0.023 0.000 0.295 695 I C -0.320 175.753 176.117 -0.073 0.000 1.049 695 I CA -0.858 60.415 61.300 -0.046 0.000 1.063 695 I CB 2.285 40.285 38.000 0.000 0.000 1.248 695 I HN 0.244 nan 8.210 nan 0.000 0.424 696 A N 7.214 130.003 122.820 -0.053 0.000 2.343 696 A HA 0.841 5.174 4.320 0.023 0.000 0.308 696 A C -1.135 176.539 177.584 0.150 0.000 1.092 696 A CA -0.438 51.541 52.037 -0.097 0.000 0.751 696 A CB 0.939 19.750 19.000 -0.314 0.000 1.203 696 A HN 0.650 nan 8.150 nan 0.000 0.452 697 L N 2.434 123.791 121.223 0.223 0.000 2.319 697 L HA 0.704 5.058 4.340 0.023 0.000 0.281 697 L C 0.390 177.472 176.870 0.354 0.000 1.005 697 L CA -0.534 54.464 54.840 0.264 0.000 0.828 697 L CB 1.780 43.947 42.059 0.180 0.000 1.227 697 L HN 0.777 nan 8.230 nan 0.000 0.415 698 A N 2.383 125.338 122.820 0.223 0.000 2.312 698 A HA 0.814 5.148 4.320 0.023 0.000 0.326 698 A C 0.786 178.371 177.584 0.001 0.000 1.172 698 A CA 0.336 52.375 52.037 0.004 0.000 0.821 698 A CB 1.101 19.922 19.000 -0.298 0.000 1.166 698 A HN 0.958 nan 8.150 nan 0.000 0.493 699 G N 1.760 110.545 108.800 -0.026 0.000 2.685 699 G HA2 -0.375 3.598 3.960 0.023 0.000 0.329 699 G HA3 -0.375 3.598 3.960 0.023 0.000 0.329 699 G C 0.593 175.491 174.900 -0.003 0.000 1.271 699 G CA 0.973 46.060 45.100 -0.022 0.000 1.003 699 G HN 0.722 nan 8.290 nan 0.000 0.549 700 D N 1.389 121.780 120.400 -0.016 0.000 2.351 700 D HA 0.157 4.811 4.640 0.023 0.000 0.216 700 D C 2.591 178.872 176.300 -0.032 0.000 0.968 700 D CA 1.448 55.429 54.000 -0.032 0.000 0.899 700 D CB -0.669 40.105 40.800 -0.043 0.000 0.907 700 D HN 0.745 nan 8.370 nan 0.000 0.514 701 A N 0.648 123.490 122.820 0.037 0.000 2.125 701 A HA -0.175 4.159 4.320 0.023 0.000 0.219 701 A C 2.004 179.672 177.584 0.140 0.000 1.156 701 A CA 0.735 52.856 52.037 0.141 0.000 0.671 701 A CB -0.406 18.725 19.000 0.218 0.000 0.794 701 A HN 0.165 nan 8.150 nan 0.000 0.459 702 R N -0.219 120.320 120.500 0.065 0.000 2.328 702 R HA -0.068 4.285 4.340 0.023 0.000 0.207 702 R C 1.502 177.791 176.300 -0.019 0.000 1.056 702 R CA 1.140 57.270 56.100 0.049 0.000 1.016 702 R CB -0.179 30.143 30.300 0.038 0.000 0.872 702 R HN 0.522 nan 8.270 nan 0.000 0.471 703 K N -0.133 120.195 120.400 -0.120 0.000 2.283 703 K HA -0.083 4.251 4.320 0.023 0.000 0.202 703 K C 1.093 177.543 176.600 -0.251 0.000 1.048 703 K CA 1.024 57.185 56.287 -0.211 0.000 0.948 703 K CB -0.008 32.310 32.500 -0.303 0.000 0.742 703 K HN 0.165 nan 8.250 nan 0.000 0.458 704 F N 1.473 121.398 119.950 -0.041 0.000 2.699 704 F HA -0.038 4.503 4.527 0.023 0.000 0.298 704 F C 1.777 177.529 175.800 -0.080 0.000 1.154 704 F CA 0.596 58.559 58.000 -0.061 0.000 1.457 704 F CB 0.000 38.962 39.000 -0.064 0.000 1.106 704 F HN -0.076 nan 8.300 nan 0.000 0.585 705 K N 0.421 120.862 120.400 0.068 0.000 2.103 705 K HA -0.187 4.147 4.320 0.023 0.000 0.207 705 K C 2.337 178.911 176.600 -0.043 0.000 1.048 705 K CA 1.198 57.483 56.287 -0.003 0.000 0.930 705 K CB -0.376 32.120 32.500 -0.008 0.000 0.716 705 K HN 0.261 nan 8.250 nan 0.000 0.444 706 A N 0.947 123.747 122.820 -0.033 0.000 1.972 706 A HA -0.142 4.192 4.320 0.023 0.000 0.219 706 A C 2.151 179.708 177.584 -0.045 0.000 1.169 706 A CA 1.873 53.884 52.037 -0.043 0.000 0.635 706 A CB -0.821 18.154 19.000 -0.042 0.000 0.810 706 A HN 0.250 nan 8.150 nan 0.000 0.446 707 T N 0.755 115.301 114.554 -0.012 0.000 2.788 707 T HA -0.103 4.261 4.350 0.023 0.000 0.268 707 T C 1.459 176.094 174.700 -0.109 0.000 1.044 707 T CA 1.586 63.678 62.100 -0.013 0.000 1.139 707 T CB -0.476 68.437 68.868 0.074 0.000 0.867 707 T HN 0.741 nan 8.240 nan 0.000 0.454 708 I N -2.063 118.388 120.570 -0.199 0.000 3.914 708 I HA 0.357 4.541 4.170 0.023 0.000 0.333 708 I C -0.648 175.211 176.117 -0.430 0.000 1.449 708 I CA -0.606 60.431 61.300 -0.439 0.000 1.135 708 I CB -0.025 37.528 38.000 -0.746 0.000 1.073 708 I HN -0.141 nan 8.210 nan 0.000 0.401 709 K N 1.837 122.108 120.400 -0.215 0.000 3.419 709 K HA -0.126 4.208 4.320 0.023 0.000 0.272 709 K C -0.409 176.118 176.600 -0.123 0.000 0.973 709 K CA 0.590 56.797 56.287 -0.134 0.000 0.749 709 K CB -1.894 30.552 32.500 -0.091 0.000 1.403 709 K HN 0.459 nan 8.250 nan 0.000 0.456 710 I N 0.273 120.776 120.570 -0.112 0.000 2.385 710 I HA 0.324 4.507 4.170 0.023 0.000 0.294 710 I C 1.452 177.552 176.117 -0.029 0.000 0.988 710 I CA -1.101 60.163 61.300 -0.061 0.000 1.265 710 I CB 1.107 39.076 38.000 -0.051 0.000 1.388 710 I HN 0.348 nan 8.210 nan 0.000 0.480 711 A N 4.904 127.718 122.820 -0.010 0.000 2.409 711 A HA 0.069 4.402 4.320 0.023 0.000 0.246 711 A C 1.044 178.626 177.584 -0.004 0.000 1.099 711 A CA -0.043 51.991 52.037 -0.005 0.000 0.789 711 A CB 0.119 19.121 19.000 0.003 0.000 1.053 711 A HN 0.767 nan 8.150 nan 0.000 0.503 712 D N -0.228 120.170 120.400 -0.004 0.000 2.117 712 D HA -0.161 4.493 4.640 0.023 0.000 0.197 712 D C 1.966 178.268 176.300 0.003 0.000 0.987 712 D CA 1.700 55.698 54.000 -0.002 0.000 0.829 712 D CB -0.160 40.638 40.800 -0.003 0.000 0.961 712 D HN 0.738 nan 8.370 nan 0.000 0.460 713 Q N 1.162 120.964 119.800 0.004 0.000 2.364 713 Q HA -0.008 4.345 4.340 0.023 0.000 0.207 713 Q C 0.763 176.767 176.000 0.007 0.000 0.970 713 Q CA 1.433 57.240 55.803 0.006 0.000 0.888 713 Q CB 0.095 28.837 28.738 0.005 0.000 0.951 713 Q HN 0.201 nan 8.270 nan 0.000 0.469 714 G N 0.982 109.786 108.800 0.008 0.000 2.549 714 G HA2 -0.187 3.786 3.960 0.023 0.000 0.404 714 G HA3 -0.187 3.786 3.960 0.023 0.000 0.404 714 G C -1.335 173.572 174.900 0.012 0.000 1.292 714 G CA -0.184 44.921 45.100 0.009 0.000 0.935 714 G HN 0.610 nan 8.290 nan 0.000 0.512 715 E N -1.012 119.195 120.200 0.012 0.000 2.400 715 E HA 0.482 4.846 4.350 0.023 0.000 0.285 715 E C -0.692 175.906 176.600 -0.003 0.000 1.005 715 E CA -0.725 55.684 56.400 0.014 0.000 0.816 715 E CB 1.014 30.737 29.700 0.039 0.000 1.220 715 E HN 0.626 nan 8.360 nan 0.000 0.426 716 E N 1.108 121.297 120.200 -0.017 0.000 2.585 716 E HA 0.217 4.581 4.350 0.023 0.000 0.252 716 E C 0.692 177.252 176.600 -0.065 0.000 0.981 716 E CA 1.753 58.128 56.400 -0.042 0.000 0.943 716 E CB 0.526 30.200 29.700 -0.045 0.000 0.923 716 E HN 0.865 nan 8.360 nan 0.000 0.486 717 G N 3.491 112.240 108.800 -0.085 0.000 2.231 717 G HA2 -0.177 3.797 3.960 0.023 0.000 0.206 717 G HA3 -0.177 3.797 3.960 0.023 0.000 0.206 717 G C 0.017 174.865 174.900 -0.087 0.000 0.996 717 G CA -0.599 44.429 45.100 -0.119 0.000 0.645 717 G HN 0.437 nan 8.290 nan 0.000 0.498 718 I N 2.297 122.837 120.570 -0.049 0.000 2.382 718 I HA 0.486 4.670 4.170 0.023 0.000 0.286 718 I C 0.351 176.422 176.117 -0.077 0.000 1.002 718 I CA -1.059 60.221 61.300 -0.034 0.000 1.135 718 I CB 1.337 39.350 38.000 0.022 0.000 1.288 718 I HN -0.107 nan 8.210 nan 0.000 0.448 719 V N 7.333 127.159 119.914 -0.147 0.000 2.465 719 V HA 0.387 4.521 4.120 0.023 0.000 0.279 719 V C 0.220 176.222 176.094 -0.154 0.000 1.045 719 V CA -0.462 61.688 62.300 -0.249 0.000 0.938 719 V CB 1.282 32.797 31.823 -0.512 0.000 0.986 719 V HN 0.855 nan 8.190 nan 0.000 0.467 720 E N 4.269 124.460 120.200 -0.016 0.000 2.321 720 E HA 0.862 5.225 4.350 0.023 0.000 0.278 720 E C -0.985 175.758 176.600 0.238 0.000 0.902 720 E CA -0.903 55.593 56.400 0.161 0.000 0.758 720 E CB 2.545 32.302 29.700 0.095 0.000 1.213 720 E HN 0.758 nan 8.360 nan 0.000 0.426 721 A N 2.055 125.066 122.820 0.318 0.000 2.581 721 A HA 0.377 4.711 4.320 0.023 0.000 0.290 721 A C -0.474 177.156 177.584 0.076 0.000 1.119 721 A CA -0.613 51.545 52.037 0.201 0.000 0.670 721 A CB 1.274 20.442 19.000 0.280 0.000 1.280 721 A HN 0.616 nan 8.150 nan 0.000 0.425 722 D N 0.300 120.713 120.400 0.021 0.000 2.224 722 D HA 0.068 4.721 4.640 0.023 0.000 0.205 722 D C 0.959 177.211 176.300 -0.079 0.000 0.965 722 D CA 2.093 56.082 54.000 -0.019 0.000 0.852 722 D CB 0.184 40.975 40.800 -0.016 0.000 0.947 722 D HN 0.727 nan 8.370 nan 0.000 0.494 723 S N -1.681 113.936 115.700 -0.139 0.000 2.671 723 S HA 0.613 5.097 4.470 0.023 0.000 0.277 723 S C -0.104 174.180 174.600 -0.526 0.000 1.165 723 S CA -0.442 57.604 58.200 -0.256 0.000 0.822 723 S CB 1.827 64.933 63.200 -0.158 0.000 1.150 723 S HN -0.082 nan 8.310 nan 0.000 0.479 724 A N 0.909 123.351 122.820 -0.630 0.000 2.346 724 A HA 0.348 4.681 4.320 0.023 0.000 0.242 724 A C 0.404 177.823 177.584 -0.276 0.000 1.323 724 A CA 0.261 51.786 52.037 -0.853 0.000 0.940 724 A CB -1.535 17.087 19.000 -0.630 0.000 0.943 724 A HN 0.861 nan 8.150 nan 0.000 0.501 725 D N -2.070 118.237 120.400 -0.156 0.000 2.539 725 D HA 0.555 5.208 4.640 0.023 0.000 0.276 725 D C 1.076 177.398 176.300 0.038 0.000 1.206 725 D CA 0.221 54.200 54.000 -0.035 0.000 1.081 725 D CB -0.315 40.462 40.800 -0.039 0.000 1.142 725 D HN 0.631 nan 8.370 nan 0.000 0.595 726 G N -0.174 108.648 108.800 0.035 0.000 2.614 726 G HA2 -0.313 3.661 3.960 0.023 0.000 0.303 726 G HA3 -0.313 3.661 3.960 0.023 0.000 0.303 726 G C 0.869 175.817 174.900 0.081 0.000 1.270 726 G CA 1.740 46.871 45.100 0.051 0.000 0.988 726 G HN 1.397 nan 8.290 nan 0.000 0.551 727 S N -0.154 115.599 115.700 0.088 0.000 2.603 727 S HA 0.276 4.760 4.470 0.023 0.000 0.220 727 S C 1.837 176.508 174.600 0.119 0.000 0.967 727 S CA 1.168 59.416 58.200 0.080 0.000 0.920 727 S CB -0.084 63.147 63.200 0.051 0.000 0.773 727 S HN 1.039 nan 8.310 nan 0.000 0.529 728 F N 2.607 122.556 119.950 -0.002 0.000 2.069 728 F HA -0.066 4.475 4.527 0.023 0.000 0.298 728 F C 2.197 177.995 175.800 -0.004 0.000 1.113 728 F CA 1.674 59.672 58.000 -0.003 0.000 1.214 728 F CB -0.252 38.748 39.000 -0.001 0.000 0.978 728 F HN 0.169 nan 8.300 nan 0.000 0.474 729 M N 0.014 119.771 119.600 0.263 0.000 2.254 729 M HA -0.149 4.345 4.480 0.023 0.000 0.265 729 M C 1.749 178.063 176.300 0.024 0.000 1.066 729 M CA 1.223 56.601 55.300 0.130 0.000 1.123 729 M CB -1.304 31.384 32.600 0.146 0.000 1.388 729 M HN 0.137 nan 8.290 nan 0.000 0.425 730 D N 0.456 120.873 120.400 0.027 0.000 2.144 730 D HA -0.138 4.515 4.640 0.023 0.000 0.199 730 D C 1.942 178.223 176.300 -0.032 0.000 0.984 730 D CA 1.137 55.137 54.000 0.001 0.000 0.834 730 D CB -0.062 40.745 40.800 0.012 0.000 0.955 730 D HN 0.450 nan 8.370 nan 0.000 0.465 731 E N 0.375 120.540 120.200 -0.058 0.000 2.047 731 E HA -0.097 4.266 4.350 0.023 0.000 0.191 731 E C 2.077 178.598 176.600 -0.132 0.000 0.987 731 E CA 0.176 56.519 56.400 -0.096 0.000 0.799 731 E CB -0.038 29.589 29.700 -0.120 0.000 0.752 731 E HN 0.113 nan 8.360 nan 0.000 0.449 732 L N 0.880 121.993 121.223 -0.183 0.000 2.083 732 L HA -0.150 4.204 4.340 0.023 0.000 0.209 732 L C 1.977 178.786 176.870 -0.102 0.000 1.083 732 L CA 1.594 56.328 54.840 -0.177 0.000 0.752 732 L CB -0.414 41.517 42.059 -0.214 0.000 0.899 732 L HN 0.251 nan 8.230 nan 0.000 0.433 733 L N -0.654 120.528 121.223 -0.067 0.000 2.217 733 L HA -0.155 4.199 4.340 0.023 0.000 0.211 733 L C 2.380 179.228 176.870 -0.038 0.000 1.107 733 L CA 1.085 55.901 54.840 -0.041 0.000 0.783 733 L CB -0.533 41.513 42.059 -0.022 0.000 0.919 733 L HN 0.218 nan 8.230 nan 0.000 0.442 734 T N -0.061 114.466 114.554 -0.045 0.000 2.857 734 T HA -0.073 4.290 4.350 0.023 0.000 0.266 734 T C 1.930 176.599 174.700 -0.050 0.000 1.048 734 T CA 0.987 63.066 62.100 -0.036 0.000 1.139 734 T CB -0.069 68.777 68.868 -0.036 0.000 0.874 734 T HN 0.184 nan 8.240 nan 0.000 0.455 735 L N 0.311 121.486 121.223 -0.080 0.000 2.093 735 L HA -0.011 4.342 4.340 0.023 0.000 0.208 735 L C 2.638 179.445 176.870 -0.107 0.000 1.085 735 L CA 1.151 55.923 54.840 -0.113 0.000 0.755 735 L CB -0.513 41.459 42.059 -0.145 0.000 0.904 735 L HN 0.290 nan 8.230 nan 0.000 0.435 736 M N -0.627 118.928 119.600 -0.075 0.000 2.159 736 M HA -0.175 4.319 4.480 0.023 0.000 0.263 736 M C 2.460 178.761 176.300 0.003 0.000 1.063 736 M CA 1.742 57.016 55.300 -0.043 0.000 1.110 736 M CB -0.496 32.090 32.600 -0.025 0.000 1.374 736 M HN 0.315 nan 8.290 nan 0.000 0.411 737 A N 0.209 123.031 122.820 0.005 0.000 2.015 737 A HA 0.068 4.402 4.320 0.023 0.000 0.219 737 A C 2.112 179.734 177.584 0.063 0.000 1.163 737 A CA 1.641 53.699 52.037 0.035 0.000 0.646 737 A CB -0.605 18.410 19.000 0.024 0.000 0.806 737 A HN 0.497 nan 8.150 nan 0.000 0.448 738 A N -2.497 120.340 122.820 0.027 0.000 2.307 738 A HA 0.370 4.704 4.320 0.023 0.000 0.218 738 A C 0.897 178.500 177.584 0.033 0.000 1.228 738 A CA 1.149 53.213 52.037 0.045 0.000 0.857 738 A CB -0.531 18.456 19.000 -0.020 0.000 0.897 738 A HN 0.913 nan 8.150 nan 0.000 0.495 739 H N -1.129 117.879 119.070 -0.103 0.000 4.891 739 H HA -0.205 4.365 4.556 0.023 0.000 0.059 739 H C 0.119 175.222 175.328 -0.376 0.000 0.587 739 H CA 2.480 58.443 56.048 -0.142 0.000 0.970 739 H CB -0.530 29.248 29.762 0.027 0.000 0.535 739 H HN 0.463 nan 8.280 nan 0.000 0.802 740 R N -0.474 119.444 120.500 -0.971 0.000 2.855 740 R HA 0.606 4.960 4.340 0.023 0.000 0.266 740 R C -0.629 174.836 176.300 -1.393 0.000 1.034 740 R CA -0.278 55.053 56.100 -1.282 0.000 0.944 740 R CB 1.582 30.841 30.300 -1.734 0.000 1.219 740 R HN 0.084 nan 8.270 nan 0.000 0.474 741 V N 2.342 121.664 119.914 -0.986 0.000 2.174 741 V HA 0.103 4.236 4.120 0.023 0.000 0.259 741 V C 0.769 176.502 176.094 -0.601 0.000 1.261 741 V CA -0.483 61.405 62.300 -0.687 0.000 1.137 741 V CB -0.472 31.089 31.823 -0.437 0.000 1.290 741 V HN 0.704 nan 8.190 nan 0.000 0.486 742 W N 1.536 122.561 121.300 -0.459 0.000 2.331 742 W HA -0.244 4.430 4.660 0.022 0.000 0.291 742 W C 2.595 178.915 176.519 -0.332 0.000 1.214 742 W CA 1.011 58.007 57.345 -0.583 0.000 1.228 742 W CB -0.568 28.177 29.460 -1.192 0.000 1.135 742 W HN 0.648 nan 8.180 nan 0.000 0.537 743 S N 0.922 116.584 115.700 -0.063 0.000 2.465 743 S HA -0.231 4.252 4.470 0.023 0.000 0.241 743 S C 1.752 176.320 174.600 -0.053 0.000 1.000 743 S CA 1.278 59.457 58.200 -0.034 0.000 0.964 743 S CB -0.498 62.677 63.200 -0.040 0.000 0.763 743 S HN 0.458 nan 8.310 nan 0.000 0.512 744 R N 0.624 121.054 120.500 -0.117 0.000 2.275 744 R HA 0.243 4.596 4.340 0.023 0.000 0.199 744 R C 1.851 178.090 176.300 -0.103 0.000 0.989 744 R CA 0.426 56.434 56.100 -0.154 0.000 1.016 744 R CB -0.368 29.734 30.300 -0.330 0.000 0.918 744 R HN 0.493 nan 8.270 nan 0.000 0.473 745 I N 2.077 122.625 120.570 -0.036 0.000 2.087 745 I HA -0.269 3.914 4.170 0.023 0.000 0.240 745 I C -0.769 175.375 176.117 0.045 0.000 1.054 745 I CA 1.588 62.909 61.300 0.035 0.000 1.311 745 I CB -1.172 36.895 38.000 0.112 0.000 1.024 745 I HN 0.181 nan 8.210 nan 0.000 0.402 746 P HA -0.180 nan 4.420 nan 0.000 0.216 746 P C 1.258 178.589 177.300 0.051 0.000 1.150 746 P CA 1.604 64.735 63.100 0.053 0.000 0.843 746 P CB -0.061 31.668 31.700 0.047 0.000 0.787 747 K N -0.253 120.173 120.400 0.043 0.000 2.217 747 K HA -0.024 4.309 4.320 0.023 0.000 0.202 747 K C 2.045 178.704 176.600 0.099 0.000 1.051 747 K CA 0.895 57.227 56.287 0.076 0.000 0.952 747 K CB -1.066 31.500 32.500 0.109 0.000 0.736 747 K HN 0.348 nan 8.250 nan 0.000 0.453 748 I N -2.220 118.381 120.570 0.051 0.000 2.716 748 I HA -0.091 4.092 4.170 0.023 0.000 0.259 748 I C 1.422 177.584 176.117 0.074 0.000 1.172 748 I CA 0.948 62.285 61.300 0.062 0.000 1.478 748 I CB -0.086 37.910 38.000 -0.007 0.000 1.104 748 I HN -0.060 nan 8.210 nan 0.000 0.439 749 D N 2.943 123.387 120.400 0.073 0.000 2.303 749 D HA -0.289 4.364 4.640 0.023 0.000 0.190 749 D C 1.796 178.140 176.300 0.072 0.000 1.011 749 D CA 3.092 57.138 54.000 0.077 0.000 0.860 749 D CB -0.064 40.780 40.800 0.073 0.000 0.961 749 D HN 0.645 nan 8.370 nan 0.000 0.453 750 K N 0.960 121.401 120.400 0.068 0.000 1.986 750 K HA -0.085 4.248 4.320 0.023 0.000 0.216 750 K C 1.158 177.794 176.600 0.060 0.000 1.012 750 K CA -0.235 56.087 56.287 0.060 0.000 1.025 750 K CB -0.789 31.743 32.500 0.054 0.000 0.975 750 K HN 0.140 nan 8.250 nan 0.000 0.453 751 I N 2.861 123.467 120.570 0.059 0.000 2.749 751 I HA -0.116 4.067 4.170 0.023 0.000 0.127 751 I C -2.217 173.929 176.117 0.049 0.000 0.884 751 I CA -0.127 61.204 61.300 0.052 0.000 2.784 751 I CB -0.076 37.971 38.000 0.078 0.000 0.569 751 I HN 0.628 nan 8.210 nan 0.000 0.352 752 P HA 0.481 nan 4.420 nan 0.000 0.251 752 P C -0.749 176.604 177.300 0.087 0.000 1.718 752 P CA -0.121 63.013 63.100 0.057 0.000 1.119 752 P CB 0.582 32.310 31.700 0.048 0.000 1.762 753 A N 0.000 122.872 122.820 0.087 0.000 2.254 753 A HA 0.000 4.334 4.320 0.023 0.000 0.244 753 A CA 0.000 52.128 52.037 0.152 0.000 0.836 753 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486