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 1ggf_1_D DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VNARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE DTVRDIRGFA TKFYTEEGIF DLVGNNTPIF FIQDAHKFPD FVHAVKPEPH DATA SEQUENCE WAIPQGQSAH DTFWDYVSLQ PETLHNVMWA MSDRGIPRSY RTMEGFGIHT DATA SEQUENCE FRLINAEGKA TFVRFHWKPL AGKASLVWDE AQKLTGRDPD FHRRELWEAI DATA SEQUENCE EAGDFPEYEL GFQLIPEEDE FKFDFDLLDP TKLIPEELVP VQRVGKMVLN DATA SEQUENCE RNPDNFFAEN EQAAFHPGHI VPGLDFTNDP LLQGRLFSYT DTQISRLGGP DATA SEQUENCE NFHEIPINRP TCPYHNFQRD GMHRMGIDTN PANYEPNSIN DNWPRETPPG DATA SEQUENCE PKRGGFESYQ ERVEGNKVRE RSPSFGEYYS HPRLFWLSQT PFEQRHIVDG DATA SEQUENCE FSFELSKVVR PYIRERVVDQ LAHIDLTLAQ AVAKNLGIEL TDDQLNITPP DATA SEQUENCE PDVNGLKKDP SLSLYAIPDG DVKGRVVAIL LNDEVRSADL LAILKALKAK DATA SEQUENCE GVHAKLLYSR MGEVTADDGT VLPIAATFAG APSLTVDAVI VPCGNIADIA DATA SEQUENCE DNGDANYYLM EAYKHLKPIA LAGDARKFKA TIKIADQGEE GIVEADSADG DATA SEQUENCE SFMDELLTLM AAHRVWSRIP KIDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 D HA 0.000 nan 4.640 nan 0.000 0.175 27 D C 0.000 176.287 176.300 -0.022 0.000 2.045 27 D CA 0.000 53.990 54.000 -0.017 0.000 0.868 27 D CB 0.000 40.789 40.800 -0.019 0.000 0.688 28 S N 0.395 116.080 115.700 -0.026 0.000 4.044 28 S HA -0.137 4.346 4.470 0.021 0.000 0.371 28 S C 0.930 175.497 174.600 -0.055 0.000 0.977 28 S CA 0.356 58.534 58.200 -0.037 0.000 1.092 28 S CB -1.804 61.378 63.200 -0.030 0.000 0.845 28 S HN 0.331 nan 8.310 nan 0.000 0.496 29 L N 0.592 121.778 121.223 -0.061 0.000 2.341 29 L HA 0.293 4.646 4.340 0.021 0.000 0.214 29 L C 1.693 178.487 176.870 -0.126 0.000 1.115 29 L CA 0.716 55.513 54.840 -0.072 0.000 0.820 29 L CB -0.532 41.497 42.059 -0.050 0.000 0.944 29 L HN 0.671 nan 8.230 nan 0.000 0.452 30 A N 1.516 124.216 122.820 -0.200 0.000 2.507 30 A HA 0.237 4.570 4.320 0.021 0.000 0.235 30 A C -1.979 175.411 177.584 -0.323 0.000 1.070 30 A CA -0.716 51.054 52.037 -0.444 0.000 0.768 30 A CB -0.683 17.890 19.000 -0.711 0.000 1.011 30 A HN 0.026 nan 8.150 nan 0.000 0.502 31 P HA 0.195 nan 4.420 nan 0.000 0.276 31 P C -0.660 176.585 177.300 -0.092 0.000 1.230 31 P CA -0.227 62.788 63.100 -0.141 0.000 0.776 31 P CB 0.770 32.429 31.700 -0.067 0.000 0.888 32 E N 2.943 123.115 120.200 -0.046 0.000 1.858 32 E HA 0.065 4.428 4.350 0.021 0.000 0.267 32 E C -0.011 176.596 176.600 0.010 0.000 1.215 32 E CA 0.254 56.645 56.400 -0.016 0.000 0.952 32 E CB -0.621 29.070 29.700 -0.015 0.000 1.058 32 E HN 0.464 nan 8.360 nan 0.000 0.407 33 D N 2.368 122.792 120.400 0.039 0.000 3.060 33 D HA -0.048 4.604 4.640 0.021 0.000 0.590 33 D C 1.070 177.422 176.300 0.087 0.000 0.629 33 D CA 0.383 54.414 54.000 0.051 0.000 1.082 33 D CB -1.170 39.653 40.800 0.038 0.000 1.508 33 D HN 0.658 nan 8.370 nan 0.000 0.290 34 G N 0.732 109.630 108.800 0.162 0.000 2.168 34 G HA2 -0.358 3.615 3.960 0.021 0.000 0.263 34 G HA3 -0.358 3.615 3.960 0.021 0.000 0.263 34 G C 1.175 176.170 174.900 0.158 0.000 0.977 34 G CA 1.621 46.844 45.100 0.205 0.000 0.659 34 G HN 1.267 nan 8.290 nan 0.000 0.533 35 S N 0.514 116.329 115.700 0.192 0.000 2.474 35 S HA -0.134 4.349 4.470 0.021 0.000 0.235 35 S C 2.017 176.694 174.600 0.128 0.000 0.997 35 S CA 1.559 59.830 58.200 0.118 0.000 0.949 35 S CB -0.583 62.670 63.200 0.089 0.000 0.766 35 S HN 1.029 nan 8.310 nan 0.000 0.517 36 H N 1.648 120.725 119.070 0.012 0.000 2.524 36 H HA 0.217 4.786 4.556 0.021 0.000 0.282 36 H C 0.287 175.627 175.328 0.020 0.000 1.016 36 H CA 0.236 56.292 56.048 0.014 0.000 1.270 36 H CB -0.352 29.417 29.762 0.011 0.000 1.394 36 H HN 0.427 nan 8.280 nan 0.000 0.568 37 R N 2.527 122.762 120.500 -0.442 0.000 2.393 37 R HA 0.351 4.703 4.340 0.021 0.000 0.315 37 R C -2.468 173.756 176.300 -0.127 0.000 0.952 37 R CA -2.039 53.880 56.100 -0.302 0.000 0.842 37 R CB 1.495 31.547 30.300 -0.412 0.000 1.163 37 R HN 0.180 nan 8.270 nan 0.000 0.450 38 P HA -0.016 nan 4.420 nan 0.000 0.269 38 P C -0.601 176.693 177.300 -0.010 0.000 1.217 38 P CA -0.256 62.837 63.100 -0.011 0.000 0.783 38 P CB 0.576 32.290 31.700 0.024 0.000 0.898 39 A N 1.651 124.474 122.820 0.004 0.000 2.409 39 A HA 0.453 4.786 4.320 0.021 0.000 0.267 39 A C 0.928 178.523 177.584 0.018 0.000 1.127 39 A CA -0.209 51.832 52.037 0.007 0.000 0.795 39 A CB -0.334 18.672 19.000 0.010 0.000 1.061 39 A HN 0.564 nan 8.150 nan 0.000 0.502 40 A N 3.509 126.339 122.820 0.016 0.000 3.052 40 A HA 0.476 4.809 4.320 0.021 0.000 0.266 40 A C 0.384 177.984 177.584 0.028 0.000 1.855 40 A CA 0.382 52.434 52.037 0.025 0.000 1.473 40 A CB -1.003 18.009 19.000 0.020 0.000 1.038 40 A HN 0.950 nan 8.150 nan 0.000 0.619 41 E N -0.428 119.792 120.200 0.033 0.000 2.407 41 E HA 0.532 4.894 4.350 0.021 0.000 0.279 41 E C -3.301 173.322 176.600 0.038 0.000 1.012 41 E CA -2.389 54.032 56.400 0.035 0.000 0.800 41 E CB 0.872 30.588 29.700 0.027 0.000 1.276 41 E HN 0.054 nan 8.360 nan 0.000 0.452 42 P HA 0.086 nan 4.420 nan 0.000 0.267 42 P C -0.730 176.581 177.300 0.018 0.000 1.209 42 P CA 0.230 63.348 63.100 0.030 0.000 0.763 42 P CB 0.519 32.230 31.700 0.018 0.000 0.816 43 T N 1.143 115.703 114.554 0.011 0.000 2.906 43 T HA 0.672 5.035 4.350 0.021 0.000 0.295 43 T C -2.961 171.713 174.700 -0.044 0.000 1.075 43 T CA -2.795 59.304 62.100 -0.001 0.000 1.005 43 T CB 1.594 70.467 68.868 0.009 0.000 1.136 43 T HN 0.052 nan 8.240 nan 0.000 0.498 44 P HA 0.336 nan 4.420 nan 0.000 0.275 44 P C -2.695 174.487 177.300 -0.196 0.000 1.228 44 P CA -1.821 61.150 63.100 -0.215 0.000 0.786 44 P CB -0.729 30.906 31.700 -0.109 0.000 0.927 45 P HA 0.012 nan 4.420 nan 0.000 0.262 45 P C 0.997 178.258 177.300 -0.064 0.000 1.199 45 P CA 1.142 64.154 63.100 -0.146 0.000 0.763 45 P CB -0.237 31.367 31.700 -0.160 0.000 0.790 46 G N 3.140 111.931 108.800 -0.016 0.000 2.213 46 G HA2 -0.316 3.656 3.960 0.021 0.000 0.236 46 G HA3 -0.316 3.656 3.960 0.021 0.000 0.236 46 G C 1.093 175.996 174.900 0.005 0.000 0.991 46 G CA 0.397 45.500 45.100 0.004 0.000 0.629 46 G HN 0.678 nan 8.290 nan 0.000 0.517 47 A N -0.686 122.131 122.820 -0.004 0.000 1.929 47 A HA 0.393 4.726 4.320 0.021 0.000 0.216 47 A C 1.321 178.912 177.584 0.011 0.000 1.176 47 A CA 2.096 54.134 52.037 0.003 0.000 0.628 47 A CB -0.063 18.934 19.000 -0.004 0.000 0.816 47 A HN 0.598 nan 8.150 nan 0.000 0.444 48 Q N -1.075 118.736 119.800 0.018 0.000 2.456 48 Q HA 0.430 4.782 4.340 0.021 0.000 0.283 48 Q C -3.001 173.019 176.000 0.033 0.000 1.084 48 Q CA -2.315 53.503 55.803 0.024 0.000 0.801 48 Q CB 0.580 29.335 28.738 0.028 0.000 1.434 48 Q HN 0.024 nan 8.270 nan 0.000 0.419 49 P HA -0.016 nan 4.420 nan 0.000 0.264 49 P C -0.174 177.162 177.300 0.060 0.000 1.193 49 P CA 0.340 63.459 63.100 0.032 0.000 0.763 49 P CB 0.181 31.896 31.700 0.025 0.000 0.810 50 T N 0.263 114.856 114.554 0.065 0.000 2.813 50 T HA 0.599 4.962 4.350 0.021 0.000 0.297 50 T C 0.074 174.873 174.700 0.164 0.000 1.036 50 T CA -0.445 61.750 62.100 0.158 0.000 1.044 50 T CB 0.805 69.736 68.868 0.105 0.000 0.993 50 T HN 0.564 nan 8.240 nan 0.000 0.535 51 A N 1.404 124.418 122.820 0.322 0.000 2.599 51 A HA 0.769 5.101 4.320 0.021 0.000 0.290 51 A C -3.082 174.764 177.584 0.437 0.000 1.101 51 A CA -1.957 50.239 52.037 0.264 0.000 0.674 51 A CB 0.357 19.456 19.000 0.165 0.000 1.277 51 A HN 0.646 nan 8.150 nan 0.000 0.419 52 P HA 0.102 nan 4.420 nan 0.000 0.263 52 P C 1.289 178.745 177.300 0.261 0.000 1.175 52 P CA 1.137 64.449 63.100 0.353 0.000 0.761 52 P CB 0.532 32.361 31.700 0.215 0.000 0.794 53 G N 2.531 111.447 108.800 0.194 0.000 2.556 53 G HA2 -0.326 3.647 3.960 0.021 0.000 0.220 53 G HA3 -0.326 3.647 3.960 0.021 0.000 0.220 53 G C 1.426 176.344 174.900 0.030 0.000 1.156 53 G CA 1.285 46.408 45.100 0.039 0.000 0.766 53 G HN 0.600 nan 8.290 nan 0.000 0.583 54 S N -0.362 115.360 115.700 0.038 0.000 2.603 54 S HA 0.280 4.763 4.470 0.021 0.000 0.220 54 S C 2.045 176.664 174.600 0.032 0.000 0.967 54 S CA 0.318 58.527 58.200 0.014 0.000 0.920 54 S CB 0.001 63.201 63.200 -0.000 0.000 0.773 54 S HN 0.314 nan 8.310 nan 0.000 0.529 55 L N -0.204 121.054 121.223 0.058 0.000 2.357 55 L HA 0.313 4.666 4.340 0.021 0.000 0.211 55 L C 2.564 179.466 176.870 0.052 0.000 1.075 55 L CA 0.631 55.504 54.840 0.054 0.000 0.830 55 L CB -0.222 41.878 42.059 0.067 0.000 0.996 55 L HN 0.238 nan 8.230 nan 0.000 0.467 56 K N 1.424 121.865 120.400 0.068 0.000 2.076 56 K HA 0.057 4.390 4.320 0.021 0.000 0.204 56 K C 0.737 177.364 176.600 0.046 0.000 1.051 56 K CA 1.317 57.644 56.287 0.067 0.000 0.949 56 K CB 0.142 32.696 32.500 0.089 0.000 0.726 56 K HN 0.119 nan 8.250 nan 0.000 0.443 57 A N 0.959 123.797 122.820 0.031 0.000 3.258 57 A HA 0.354 4.686 4.320 0.021 0.000 0.318 57 A C -2.162 175.425 177.584 0.005 0.000 0.990 57 A CA -1.130 50.922 52.037 0.025 0.000 0.885 57 A CB 0.571 19.588 19.000 0.028 0.000 1.090 57 A HN 0.166 nan 8.150 nan 0.000 0.479 58 P HA -0.176 nan 4.420 nan 0.000 0.217 58 P C 0.308 177.600 177.300 -0.014 0.000 1.148 58 P CA 1.302 64.400 63.100 -0.003 0.000 0.828 58 P CB 0.360 32.062 31.700 0.003 0.000 0.783 59 D N -0.985 119.410 120.400 -0.008 0.000 2.333 59 D HA -0.010 4.643 4.640 0.021 0.000 0.208 59 D C 0.375 176.658 176.300 -0.029 0.000 0.984 59 D CA 0.653 54.644 54.000 -0.015 0.000 0.873 59 D CB -0.538 40.261 40.800 -0.002 0.000 0.935 59 D HN 0.125 nan 8.370 nan 0.000 0.521 60 T N 3.405 117.940 114.554 -0.032 0.000 2.754 60 T HA 0.142 4.505 4.350 0.021 0.000 0.282 60 T C 0.508 175.159 174.700 -0.082 0.000 0.923 60 T CA 0.004 62.068 62.100 -0.061 0.000 1.164 60 T CB 0.558 69.383 68.868 -0.073 0.000 0.873 60 T HN -0.113 nan 8.240 nan 0.000 0.537 61 R N 2.956 123.402 120.500 -0.091 0.000 2.867 61 R HA 0.693 5.045 4.340 0.021 0.000 0.268 61 R C -0.325 175.911 176.300 -0.107 0.000 1.014 61 R CA -1.116 54.926 56.100 -0.097 0.000 0.946 61 R CB 1.567 31.818 30.300 -0.081 0.000 1.208 61 R HN 0.801 nan 8.270 nan 0.000 0.477 62 N N -2.520 116.121 118.700 -0.098 0.000 3.046 62 N HA 0.034 4.787 4.740 0.021 0.000 0.243 62 N C 0.164 175.626 175.510 -0.080 0.000 1.452 62 N CA -0.733 52.269 53.050 -0.080 0.000 0.882 62 N CB 0.691 39.154 38.487 -0.039 0.000 1.425 62 N HN 0.539 nan 8.380 nan 0.000 0.517 63 E N -0.070 120.095 120.200 -0.058 0.000 2.085 63 E HA -0.271 4.092 4.350 0.021 0.000 0.194 63 E C 1.033 177.563 176.600 -0.116 0.000 0.994 63 E CA 1.551 57.912 56.400 -0.065 0.000 0.801 63 E CB 0.076 29.760 29.700 -0.028 0.000 0.743 63 E HN 0.517 nan 8.360 nan 0.000 0.453 64 K N 0.666 120.965 120.400 -0.169 0.000 2.057 64 K HA -0.083 4.249 4.320 0.021 0.000 0.206 64 K C 2.144 178.586 176.600 -0.263 0.000 1.050 64 K CA 1.075 57.176 56.287 -0.310 0.000 0.935 64 K CB -0.341 31.796 32.500 -0.606 0.000 0.715 64 K HN 0.163 nan 8.250 nan 0.000 0.439 65 L N 0.845 121.930 121.223 -0.231 0.000 2.131 65 L HA -0.180 4.172 4.340 0.021 0.000 0.210 65 L C 1.843 178.604 176.870 -0.183 0.000 1.092 65 L CA 1.044 55.726 54.840 -0.263 0.000 0.759 65 L CB -0.521 41.376 42.059 -0.270 0.000 0.903 65 L HN 0.266 nan 8.230 nan 0.000 0.435 66 N N -0.375 118.241 118.700 -0.139 0.000 2.142 66 N HA -0.144 4.608 4.740 0.021 0.000 0.186 66 N C 2.070 177.520 175.510 -0.100 0.000 1.023 66 N CA 1.645 54.633 53.050 -0.104 0.000 0.852 66 N CB -0.337 38.102 38.487 -0.081 0.000 0.998 66 N HN 0.334 nan 8.380 nan 0.000 0.424 67 S N 0.302 115.933 115.700 -0.115 0.000 2.507 67 S HA 0.044 4.526 4.470 0.021 0.000 0.235 67 S C 1.826 176.362 174.600 -0.106 0.000 0.988 67 S CA 0.368 58.506 58.200 -0.103 0.000 0.944 67 S CB -0.398 62.735 63.200 -0.111 0.000 0.762 67 S HN 0.234 nan 8.310 nan 0.000 0.526 68 L N 0.527 121.674 121.223 -0.127 0.000 2.492 68 L HA 0.174 4.526 4.340 0.021 0.000 0.223 68 L C 2.704 179.524 176.870 -0.082 0.000 1.132 68 L CA 0.658 55.429 54.840 -0.114 0.000 0.850 68 L CB -0.388 41.581 42.059 -0.150 0.000 0.966 68 L HN 0.282 nan 8.230 nan 0.000 0.454 69 E N 1.079 121.234 120.200 -0.076 0.000 2.171 69 E HA -0.268 4.095 4.350 0.021 0.000 0.197 69 E C 1.668 178.244 176.600 -0.039 0.000 0.997 69 E CA 1.596 57.964 56.400 -0.052 0.000 0.810 69 E CB -0.086 29.585 29.700 -0.048 0.000 0.738 69 E HN 0.573 nan 8.360 nan 0.000 0.467 70 D N -0.592 119.783 120.400 -0.042 0.000 2.263 70 D HA -0.140 4.513 4.640 0.021 0.000 0.208 70 D C 1.700 177.980 176.300 -0.032 0.000 0.971 70 D CA 1.541 55.521 54.000 -0.034 0.000 0.867 70 D CB -0.369 40.410 40.800 -0.036 0.000 0.929 70 D HN 0.311 nan 8.370 nan 0.000 0.492 71 V N -2.938 116.955 119.914 -0.035 0.000 3.644 71 V HA 0.281 4.414 4.120 0.021 0.000 0.267 71 V C 0.947 177.030 176.094 -0.018 0.000 1.277 71 V CA -0.596 61.687 62.300 -0.027 0.000 1.096 71 V CB -0.523 31.284 31.823 -0.028 0.000 0.828 71 V HN -0.137 nan 8.190 nan 0.000 0.446 72 R N 1.967 122.457 120.500 -0.017 0.000 2.623 72 R HA 0.410 4.763 4.340 0.021 0.000 0.271 72 R C -0.319 175.981 176.300 -0.001 0.000 1.043 72 R CA 0.210 56.309 56.100 -0.002 0.000 1.083 72 R CB 0.433 30.734 30.300 0.001 0.000 0.974 72 R HN 0.405 nan 8.270 nan 0.000 0.436 73 K N 0.698 121.102 120.400 0.008 0.000 2.316 73 K HA 0.349 4.682 4.320 0.021 0.000 0.251 73 K C 0.032 176.654 176.600 0.036 0.000 0.934 73 K CA -0.561 55.722 56.287 -0.007 0.000 0.802 73 K CB 2.452 34.933 32.500 -0.031 0.000 1.171 73 K HN 0.735 nan 8.250 nan 0.000 0.426 74 G N -0.088 108.752 108.800 0.067 0.000 2.531 74 G HA2 0.326 4.299 3.960 0.021 0.000 0.281 74 G HA3 0.326 4.299 3.960 0.021 0.000 0.281 74 G C 0.472 175.499 174.900 0.212 0.000 1.382 74 G CA -0.028 45.179 45.100 0.178 0.000 1.045 74 G HN 0.640 nan 8.290 nan 0.000 0.533 75 S N -2.506 113.382 115.700 0.313 0.000 2.961 75 S HA 0.149 4.632 4.470 0.021 0.000 0.253 75 S C 0.286 175.050 174.600 0.273 0.000 1.029 75 S CA -0.197 58.181 58.200 0.296 0.000 1.087 75 S CB 0.052 63.339 63.200 0.145 0.000 0.932 75 S HN 0.513 nan 8.310 nan 0.000 0.418 76 E N 2.980 123.252 120.200 0.119 0.000 2.465 76 E HA 0.190 4.553 4.350 0.021 0.000 0.260 76 E C -0.231 176.267 176.600 -0.170 0.000 0.980 76 E CA 0.363 56.765 56.400 0.003 0.000 0.927 76 E CB 0.050 29.744 29.700 -0.010 0.000 0.934 76 E HN 0.402 nan 8.360 nan 0.000 0.459 77 N N 0.693 119.311 118.700 -0.137 0.000 2.909 77 N HA -0.217 4.536 4.740 0.021 0.000 0.242 77 N C -1.009 174.338 175.510 -0.271 0.000 0.975 77 N CA 1.121 54.045 53.050 -0.211 0.000 0.921 77 N CB -1.364 36.963 38.487 -0.266 0.000 1.112 77 N HN 0.377 nan 8.380 nan 0.000 0.581 78 Y N 0.786 121.092 120.300 0.010 0.000 2.335 78 Y HA 0.604 5.168 4.550 0.022 0.000 0.323 78 Y C 1.070 176.974 175.900 0.006 0.000 1.224 78 Y CA -0.442 57.663 58.100 0.007 0.000 1.241 78 Y CB 0.853 39.318 38.460 0.007 0.000 1.235 78 Y HN 0.123 nan 8.280 nan 0.000 0.492 79 A N 2.532 125.466 122.820 0.190 0.000 2.425 79 A HA 0.372 4.704 4.320 0.021 0.000 0.249 79 A C -0.676 176.961 177.584 0.089 0.000 1.084 79 A CA -0.531 51.568 52.037 0.103 0.000 0.781 79 A CB 0.023 19.070 19.000 0.078 0.000 1.019 79 A HN 0.704 nan 8.150 nan 0.000 0.490 80 L N 3.142 124.398 121.223 0.055 0.000 2.410 80 L HA 0.469 4.821 4.340 0.021 0.000 0.273 80 L C 0.650 177.533 176.870 0.021 0.000 1.144 80 L CA 1.143 56.002 54.840 0.033 0.000 0.863 80 L CB 0.147 42.216 42.059 0.017 0.000 1.140 80 L HN 0.888 nan 8.230 nan 0.000 0.463 81 T N 0.421 114.981 114.554 0.010 0.000 2.887 81 T HA 0.676 5.039 4.350 0.021 0.000 0.292 81 T C 0.232 174.936 174.700 0.007 0.000 1.087 81 T CA -0.213 61.894 62.100 0.012 0.000 1.009 81 T CB 1.086 69.960 68.868 0.010 0.000 1.203 81 T HN 0.758 nan 8.240 nan 0.000 0.518 82 T N -0.071 114.501 114.554 0.030 0.000 2.732 82 T HA 0.237 4.600 4.350 0.021 0.000 0.287 82 T C 1.097 175.809 174.700 0.020 0.000 0.993 82 T CA -0.475 61.649 62.100 0.040 0.000 0.966 82 T CB -0.041 68.894 68.868 0.111 0.000 1.047 82 T HN 0.517 nan 8.240 nan 0.000 0.527 83 N N 0.565 119.277 118.700 0.020 0.000 2.364 83 N HA -0.076 4.677 4.740 0.021 0.000 0.183 83 N C 1.595 177.112 175.510 0.011 0.000 1.022 83 N CA 0.783 53.835 53.050 0.003 0.000 0.883 83 N CB -0.213 38.283 38.487 0.015 0.000 0.965 83 N HN 0.573 nan 8.380 nan 0.000 0.438 84 Q N -0.501 119.317 119.800 0.029 0.000 2.280 84 Q HA 0.218 4.571 4.340 0.021 0.000 0.202 84 Q C 0.737 176.747 176.000 0.018 0.000 0.903 84 Q CA 0.160 55.976 55.803 0.021 0.000 0.948 84 Q CB 0.261 29.015 28.738 0.025 0.000 1.058 84 Q HN 0.352 nan 8.270 nan 0.000 0.493 85 G N 0.551 109.361 108.800 0.016 0.000 2.143 85 G HA2 -0.248 3.725 3.960 0.021 0.000 0.248 85 G HA3 -0.248 3.725 3.960 0.021 0.000 0.248 85 G C 0.082 175.001 174.900 0.032 0.000 0.991 85 G CA 0.204 45.312 45.100 0.013 0.000 0.689 85 G HN 0.252 nan 8.290 nan 0.000 0.522 86 V N 0.975 120.924 119.914 0.057 0.000 2.465 86 V HA 0.431 4.563 4.120 0.021 0.000 0.279 86 V C 1.205 177.339 176.094 0.066 0.000 1.045 86 V CA -0.672 61.675 62.300 0.077 0.000 0.938 86 V CB 1.294 33.201 31.823 0.141 0.000 0.986 86 V HN 0.420 nan 8.190 nan 0.000 0.467 87 R N 4.289 124.822 120.500 0.054 0.000 2.491 87 R HA 0.424 4.777 4.340 0.021 0.000 0.283 87 R C -0.526 175.793 176.300 0.032 0.000 1.072 87 R CA -0.095 56.029 56.100 0.039 0.000 1.048 87 R CB 0.559 30.881 30.300 0.035 0.000 0.983 87 R HN 0.578 nan 8.270 nan 0.000 0.450 88 I N 2.304 122.883 120.570 0.014 0.000 2.331 88 I HA 0.138 4.321 4.170 0.021 0.000 0.292 88 I C 0.947 177.059 176.117 -0.008 0.000 0.998 88 I CA -0.104 61.191 61.300 -0.009 0.000 1.267 88 I CB 1.830 39.815 38.000 -0.026 0.000 1.386 88 I HN 0.795 nan 8.210 nan 0.000 0.476 89 A N 4.326 127.137 122.820 -0.015 0.000 1.887 89 A HA -0.003 4.329 4.320 0.021 0.000 0.212 89 A C 0.715 178.286 177.584 -0.021 0.000 1.198 89 A CA 1.000 53.029 52.037 -0.013 0.000 0.628 89 A CB 0.065 19.058 19.000 -0.011 0.000 0.847 89 A HN 0.694 nan 8.150 nan 0.000 0.449 90 D N -0.622 119.757 120.400 -0.035 0.000 2.421 90 D HA 0.325 4.978 4.640 0.021 0.000 0.254 90 D C -1.377 174.893 176.300 -0.050 0.000 1.238 90 D CA -0.342 53.635 54.000 -0.038 0.000 0.919 90 D CB 1.177 41.953 40.800 -0.039 0.000 1.152 90 D HN 0.050 nan 8.370 nan 0.000 0.552 91 D N 1.850 122.224 120.400 -0.043 0.000 2.395 91 D HA 0.053 4.706 4.640 0.021 0.000 0.226 91 D C 0.796 177.067 176.300 -0.048 0.000 1.146 91 D CA 0.303 54.274 54.000 -0.049 0.000 0.830 91 D CB 0.554 41.331 40.800 -0.039 0.000 0.958 91 D HN 0.240 nan 8.370 nan 0.000 0.501 92 Q N -0.689 119.084 119.800 -0.045 0.000 2.350 92 Q HA 0.254 4.607 4.340 0.021 0.000 0.225 92 Q C -0.076 175.896 176.000 -0.046 0.000 0.878 92 Q CA 0.290 56.068 55.803 -0.043 0.000 0.935 92 Q CB 0.736 29.453 28.738 -0.035 0.000 1.099 92 Q HN 0.194 nan 8.270 nan 0.000 0.527 93 N N 0.074 118.744 118.700 -0.050 0.000 2.242 93 N HA 0.333 5.086 4.740 0.021 0.000 0.292 93 N C -0.955 174.520 175.510 -0.058 0.000 1.125 93 N CA -0.259 52.762 53.050 -0.049 0.000 0.783 93 N CB 2.128 40.591 38.487 -0.040 0.000 1.558 93 N HN -0.179 nan 8.380 nan 0.000 0.472 94 S N 0.754 116.423 115.700 -0.052 0.000 2.617 94 S HA 0.307 4.790 4.470 0.021 0.000 0.269 94 S C 0.075 174.646 174.600 -0.047 0.000 1.292 94 S CA -0.575 57.593 58.200 -0.054 0.000 1.010 94 S CB 0.795 63.970 63.200 -0.043 0.000 0.944 94 S HN 0.375 nan 8.310 nan 0.000 0.536 95 L N 3.539 124.732 121.223 -0.050 0.000 2.319 95 L HA 0.466 4.819 4.340 0.021 0.000 0.280 95 L C 0.052 176.909 176.870 -0.021 0.000 1.099 95 L CA 0.391 55.209 54.840 -0.037 0.000 0.828 95 L CB -0.040 41.996 42.059 -0.038 0.000 1.150 95 L HN 0.752 nan 8.230 nan 0.000 0.442 96 R N 3.985 124.476 120.500 -0.015 0.000 2.817 96 R HA 0.853 5.205 4.340 0.021 0.000 0.268 96 R C -1.151 175.146 176.300 -0.005 0.000 1.027 96 R CA -0.832 55.263 56.100 -0.009 0.000 0.928 96 R CB 1.073 31.366 30.300 -0.011 0.000 1.228 96 R HN 0.549 nan 8.270 nan 0.000 0.469 97 A N 1.065 123.884 122.820 -0.002 0.000 2.922 97 A HA 0.600 4.933 4.320 0.021 0.000 0.298 97 A C 0.469 178.052 177.584 -0.002 0.000 1.588 97 A CA 0.270 52.307 52.037 0.000 0.000 1.288 97 A CB -0.989 18.012 19.000 0.002 0.000 1.130 97 A HN 1.216 nan 8.150 nan 0.000 0.557 98 G N 0.644 109.442 108.800 -0.003 0.000 2.697 98 G HA2 0.093 4.066 3.960 0.021 0.000 0.686 98 G HA3 0.093 4.066 3.960 0.021 0.000 0.686 98 G C 0.640 175.536 174.900 -0.006 0.000 1.179 98 G CA 0.068 45.166 45.100 -0.004 0.000 0.765 98 G HN 1.627 nan 8.290 nan 0.000 0.649 99 S N 0.190 115.886 115.700 -0.007 0.000 2.442 99 S HA -0.057 4.426 4.470 0.021 0.000 0.236 99 S C 1.724 176.318 174.600 -0.010 0.000 1.007 99 S CA 1.513 59.707 58.200 -0.010 0.000 0.965 99 S CB 0.033 63.227 63.200 -0.010 0.000 0.773 99 S HN 0.729 nan 8.310 nan 0.000 0.504 100 R N 1.080 121.575 120.500 -0.008 0.000 2.393 100 R HA 0.305 4.658 4.340 0.021 0.000 0.244 100 R C 1.081 177.377 176.300 -0.007 0.000 0.920 100 R CA 0.148 56.243 56.100 -0.008 0.000 1.076 100 R CB 0.436 30.732 30.300 -0.006 0.000 1.119 100 R HN 0.486 nan 8.270 nan 0.000 0.524 101 G N 1.841 110.637 108.800 -0.006 0.000 2.543 101 G HA2 0.291 4.264 3.960 0.021 0.000 0.290 101 G HA3 0.291 4.264 3.960 0.021 0.000 0.290 101 G C -2.342 172.556 174.900 -0.005 0.000 1.310 101 G CA -0.993 44.104 45.100 -0.004 0.000 1.025 101 G HN -0.080 nan 8.290 nan 0.000 0.502 102 P HA 0.192 nan 4.420 nan 0.000 0.275 102 P C -0.141 177.158 177.300 -0.003 0.000 1.228 102 P CA -0.062 63.037 63.100 -0.002 0.000 0.786 102 P CB 0.783 32.484 31.700 0.001 0.000 0.927 103 T N 3.064 117.616 114.554 -0.004 0.000 2.916 103 T HA 0.210 4.573 4.350 0.021 0.000 0.303 103 T C 0.480 175.181 174.700 0.001 0.000 1.025 103 T CA 0.017 62.114 62.100 -0.005 0.000 1.142 103 T CB -0.120 68.743 68.868 -0.008 0.000 0.947 103 T HN 0.194 nan 8.240 nan 0.000 0.544 104 L N 4.147 125.372 121.223 0.002 0.000 2.312 104 L HA 0.289 4.642 4.340 0.021 0.000 0.281 104 L C 1.459 178.340 176.870 0.019 0.000 1.070 104 L CA -0.761 54.086 54.840 0.011 0.000 0.805 104 L CB 0.962 43.030 42.059 0.014 0.000 1.174 104 L HN 0.526 nan 8.230 nan 0.000 0.434 105 L N 2.879 124.118 121.223 0.026 0.000 2.187 105 L HA -0.218 4.135 4.340 0.021 0.000 0.213 105 L C 2.329 179.232 176.870 0.055 0.000 1.100 105 L CA 1.828 56.689 54.840 0.036 0.000 0.765 105 L CB -0.611 41.468 42.059 0.034 0.000 0.904 105 L HN 0.819 nan 8.230 nan 0.000 0.437 106 E N -1.338 118.899 120.200 0.062 0.000 2.515 106 E HA -0.195 4.167 4.350 0.021 0.000 0.201 106 E C 0.282 176.965 176.600 0.139 0.000 1.071 106 E CA 0.379 56.841 56.400 0.103 0.000 0.880 106 E CB -0.573 29.182 29.700 0.091 0.000 0.828 106 E HN 0.439 nan 8.360 nan 0.000 0.540 107 D N 1.128 121.562 120.400 0.056 0.000 2.441 107 D HA -0.056 4.597 4.640 0.021 0.000 0.243 107 D C 0.437 176.711 176.300 -0.043 0.000 1.257 107 D CA -0.429 53.547 54.000 -0.041 0.000 1.027 107 D CB -0.110 40.648 40.800 -0.069 0.000 1.084 107 D HN 0.295 nan 8.370 nan 0.000 0.514 108 F N 2.189 122.144 119.950 0.008 0.000 2.456 108 F HA 0.092 4.628 4.527 0.014 0.000 0.298 108 F C 1.587 177.394 175.800 0.012 0.000 1.104 108 F CA 0.022 58.028 58.000 0.011 0.000 1.435 108 F CB -0.674 38.332 39.000 0.009 0.000 1.078 108 F HN 0.188 nan 8.300 nan 0.000 0.546 109 I N 0.404 120.528 120.570 -0.743 0.000 2.193 109 I HA -0.190 3.993 4.170 0.021 0.000 0.240 109 I C 2.475 178.482 176.117 -0.184 0.000 1.084 109 I CA 0.978 62.011 61.300 -0.446 0.000 1.365 109 I CB -0.590 37.109 38.000 -0.502 0.000 1.064 109 I HN 0.239 nan 8.210 nan 0.000 0.410 110 L N 1.140 122.262 121.223 -0.169 0.000 2.013 110 L HA -0.244 4.109 4.340 0.021 0.000 0.212 110 L C 2.658 179.513 176.870 -0.025 0.000 1.073 110 L CA 1.898 56.688 54.840 -0.083 0.000 0.753 110 L CB -0.656 41.360 42.059 -0.072 0.000 0.890 110 L HN 0.120 nan 8.230 nan 0.000 0.432 111 R N -0.579 119.920 120.500 -0.002 0.000 2.091 111 R HA -0.231 4.122 4.340 0.021 0.000 0.238 111 R C 2.364 178.710 176.300 0.076 0.000 1.136 111 R CA 1.914 58.045 56.100 0.052 0.000 0.959 111 R CB -0.368 29.980 30.300 0.080 0.000 0.856 111 R HN 0.678 nan 8.270 nan 0.000 0.437 112 E N 0.536 120.784 120.200 0.081 0.000 2.072 112 E HA -0.227 4.136 4.350 0.021 0.000 0.190 112 E C 1.901 178.566 176.600 0.108 0.000 0.982 112 E CA 1.126 57.587 56.400 0.102 0.000 0.803 112 E CB 0.032 29.798 29.700 0.110 0.000 0.755 112 E HN 0.247 nan 8.360 nan 0.000 0.453 113 K N 0.331 120.768 120.400 0.062 0.000 2.009 113 K HA -0.157 4.176 4.320 0.021 0.000 0.210 113 K C 2.118 178.791 176.600 0.121 0.000 1.049 113 K CA 1.560 57.885 56.287 0.064 0.000 0.929 113 K CB -0.071 32.427 32.500 -0.002 0.000 0.714 113 K HN 0.133 nan 8.250 nan 0.000 0.440 114 I N 1.379 122.007 120.570 0.097 0.000 2.315 114 I HA -0.189 3.994 4.170 0.021 0.000 0.248 114 I C 2.179 178.442 176.117 0.244 0.000 1.117 114 I CA 1.389 62.776 61.300 0.145 0.000 1.404 114 I CB -1.549 36.503 38.000 0.086 0.000 1.071 114 I HN 0.251 nan 8.210 nan 0.000 0.419 115 T N -0.376 114.299 114.554 0.201 0.000 2.708 115 T HA -0.206 4.157 4.350 0.021 0.000 0.266 115 T C 1.966 176.824 174.700 0.263 0.000 1.037 115 T CA 1.375 63.607 62.100 0.221 0.000 1.146 115 T CB -0.396 68.552 68.868 0.133 0.000 0.865 115 T HN 0.360 nan 8.240 nan 0.000 0.435 116 H N -0.117 119.044 119.070 0.152 0.000 2.353 116 H HA -0.062 4.507 4.556 0.021 0.000 0.300 116 H C 2.204 177.629 175.328 0.162 0.000 1.090 116 H CA 1.567 57.691 56.048 0.126 0.000 1.327 116 H CB -0.387 29.425 29.762 0.083 0.000 1.383 116 H HN 0.400 nan 8.280 nan 0.000 0.508 117 F N 2.110 122.164 119.950 0.173 0.000 2.126 117 F HA -0.197 4.340 4.527 0.017 0.000 0.299 117 F C 1.895 177.712 175.800 0.027 0.000 1.096 117 F CA 1.684 59.736 58.000 0.087 0.000 1.255 117 F CB -0.288 38.750 39.000 0.063 0.000 0.997 117 F HN 0.056 nan 8.300 nan 0.000 0.479 118 D N -1.154 119.311 120.400 0.107 0.000 2.351 118 D HA -0.141 4.512 4.640 0.021 0.000 0.216 118 D C 1.187 177.299 176.300 -0.315 0.000 0.968 118 D CA 1.167 55.108 54.000 -0.099 0.000 0.899 118 D CB -0.407 40.413 40.800 0.033 0.000 0.907 118 D HN 0.557 nan 8.370 nan 0.000 0.514 119 H N -0.652 118.299 119.070 -0.198 0.000 2.662 119 H HA 0.192 4.756 4.556 0.014 0.000 0.268 119 H C 0.992 176.156 175.328 -0.272 0.000 1.152 119 H CA -0.096 55.828 56.048 -0.207 0.000 1.072 119 H CB 0.829 30.467 29.762 -0.206 0.000 1.660 119 H HN 0.227 nan 8.280 nan 0.000 0.584 120 E N 0.900 120.957 120.200 -0.238 0.000 2.110 120 E HA -0.054 4.309 4.350 0.021 0.000 0.193 120 E C 0.606 177.064 176.600 -0.238 0.000 0.988 120 E CA 0.642 56.875 56.400 -0.279 0.000 0.804 120 E CB 0.392 29.915 29.700 -0.294 0.000 0.745 120 E HN 0.194 nan 8.360 nan 0.000 0.458 121 R N 1.266 121.668 120.500 -0.164 0.000 2.490 121 R HA 0.333 4.686 4.340 0.021 0.000 0.278 121 R C 0.475 176.795 176.300 0.034 0.000 1.069 121 R CA -0.125 55.946 56.100 -0.049 0.000 1.080 121 R CB 0.707 30.966 30.300 -0.068 0.000 1.030 121 R HN 0.172 nan 8.270 nan 0.000 0.491 122 I N -1.057 119.595 120.570 0.137 0.000 2.846 122 I HA 0.563 4.746 4.170 0.021 0.000 0.307 122 I C -2.292 173.873 176.117 0.079 0.000 1.053 122 I CA -2.998 58.376 61.300 0.124 0.000 1.050 122 I CB 1.855 39.966 38.000 0.185 0.000 1.239 122 I HN 0.267 nan 8.210 nan 0.000 0.439 123 P HA 0.107 nan 4.420 nan 0.000 0.266 123 P C -0.918 176.397 177.300 0.024 0.000 1.195 123 P CA 0.002 63.116 63.100 0.022 0.000 0.768 123 P CB 0.402 32.105 31.700 0.006 0.000 0.838 124 E N 2.388 122.603 120.200 0.025 0.000 2.345 124 E HA 0.250 4.613 4.350 0.021 0.000 0.259 124 E C -0.460 176.145 176.600 0.008 0.000 1.117 124 E CA -0.951 55.466 56.400 0.028 0.000 0.913 124 E CB 0.696 30.422 29.700 0.042 0.000 1.057 124 E HN 0.232 nan 8.360 nan 0.000 0.432 125 R N 0.991 121.495 120.500 0.007 0.000 2.638 125 R HA -0.030 4.322 4.340 0.021 0.000 0.268 125 R C 1.035 177.337 176.300 0.004 0.000 1.006 125 R CA -0.006 56.091 56.100 -0.006 0.000 1.088 125 R CB 0.077 30.383 30.300 0.011 0.000 0.950 125 R HN 0.562 nan 8.270 nan 0.000 0.419 126 I N 2.029 122.595 120.570 -0.006 0.000 2.163 126 I HA -0.210 3.973 4.170 0.021 0.000 0.243 126 I C 1.023 177.161 176.117 0.035 0.000 1.085 126 I CA 1.264 62.572 61.300 0.013 0.000 1.347 126 I CB -0.672 37.341 38.000 0.023 0.000 1.044 126 I HN 0.386 nan 8.210 nan 0.000 0.408 127 V N -2.104 117.847 119.914 0.061 0.000 2.864 127 V HA 0.563 4.695 4.120 0.021 0.000 0.314 127 V C -0.121 176.029 176.094 0.094 0.000 1.073 127 V CA -1.090 61.271 62.300 0.101 0.000 0.956 127 V CB 1.340 33.283 31.823 0.200 0.000 1.023 127 V HN 0.481 nan 8.190 nan 0.000 0.435 128 N N 0.726 119.492 118.700 0.109 0.000 2.754 128 N HA -0.175 4.577 4.740 0.021 0.000 0.248 128 N C 0.939 176.497 175.510 0.080 0.000 1.093 128 N CA 0.989 54.099 53.050 0.101 0.000 0.699 128 N CB -1.282 37.259 38.487 0.090 0.000 1.016 128 N HN 1.269 nan 8.380 nan 0.000 0.552 129 A N -0.455 122.410 122.820 0.076 0.000 2.019 129 A HA -0.056 4.276 4.320 0.021 0.000 0.219 129 A C 1.380 179.028 177.584 0.106 0.000 1.164 129 A CA 1.320 53.402 52.037 0.075 0.000 0.644 129 A CB -0.003 19.033 19.000 0.061 0.000 0.805 129 A HN 0.371 nan 8.150 nan 0.000 0.449 130 R N -0.084 120.487 120.500 0.119 0.000 2.229 130 R HA 0.523 4.876 4.340 0.021 0.000 0.332 130 R C -0.163 176.242 176.300 0.175 0.000 0.989 130 R CA 0.711 56.906 56.100 0.159 0.000 0.842 130 R CB 0.511 30.902 30.300 0.152 0.000 1.119 130 R HN 0.277 nan 8.270 nan 0.000 0.456 131 G N 0.902 109.823 108.800 0.201 0.000 2.698 131 G HA2 0.522 4.495 3.960 0.021 0.000 0.293 131 G HA3 0.522 4.495 3.960 0.021 0.000 0.293 131 G C -1.594 173.440 174.900 0.223 0.000 1.437 131 G CA -0.626 44.562 45.100 0.146 0.000 0.852 131 G HN 0.498 nan 8.290 nan 0.000 0.499 132 S N -1.023 114.768 115.700 0.152 0.000 2.538 132 S HA 0.891 5.374 4.470 0.021 0.000 0.288 132 S C -0.162 174.451 174.600 0.023 0.000 1.108 132 S CA -0.167 58.179 58.200 0.244 0.000 0.971 132 S CB 1.744 65.200 63.200 0.427 0.000 1.041 132 S HN 1.552 nan 8.310 nan 0.000 0.483 133 A N 1.528 124.330 122.820 -0.030 0.000 2.527 133 A HA 1.035 5.368 4.320 0.021 0.000 0.293 133 A C -1.030 176.366 177.584 -0.313 0.000 1.117 133 A CA -0.713 51.103 52.037 -0.368 0.000 0.723 133 A CB 1.586 20.168 19.000 -0.697 0.000 1.313 133 A HN 1.349 nan 8.150 nan 0.000 0.411 134 A N 0.301 122.769 122.820 -0.586 0.000 2.606 134 A HA 0.734 5.067 4.320 0.021 0.000 0.293 134 A C -1.180 176.190 177.584 -0.356 0.000 1.082 134 A CA -0.639 51.208 52.037 -0.316 0.000 0.685 134 A CB 0.800 19.718 19.000 -0.135 0.000 1.284 134 A HN 0.871 nan 8.150 nan 0.000 0.408 135 H N -0.341 118.745 119.070 0.026 0.000 2.482 135 H HA 0.699 5.268 4.556 0.021 0.000 0.344 135 H C 0.590 175.922 175.328 0.008 0.000 1.151 135 H CA 0.840 56.964 56.048 0.126 0.000 1.300 135 H CB 1.847 31.691 29.762 0.136 0.000 1.494 135 H HN 1.162 nan 8.280 nan 0.000 0.542 136 G N 0.753 109.658 108.800 0.174 0.000 2.500 136 G HA2 0.348 4.321 3.960 0.021 0.000 0.299 136 G HA3 0.348 4.321 3.960 0.021 0.000 0.299 136 G C -2.018 173.031 174.900 0.249 0.000 1.242 136 G CA -0.683 44.490 45.100 0.123 0.000 0.859 136 G HN 0.618 nan 8.290 nan 0.000 0.481 137 Y N -1.731 118.610 120.300 0.069 0.000 2.588 137 Y HA 0.843 5.405 4.550 0.021 0.000 0.343 137 Y C -1.509 174.533 175.900 0.236 0.000 1.065 137 Y CA -1.840 56.347 58.100 0.146 0.000 1.038 137 Y CB 2.003 40.522 38.460 0.099 0.000 1.297 137 Y HN 0.764 nan 8.280 nan 0.000 0.467 138 F N 2.093 122.181 119.950 0.231 0.000 2.561 138 F HA 0.690 5.230 4.527 0.021 0.000 0.321 138 F C -1.160 174.825 175.800 0.309 0.000 1.065 138 F CA -0.687 57.459 58.000 0.244 0.000 0.934 138 F CB 2.354 41.661 39.000 0.512 0.000 1.215 138 F HN 0.772 nan 8.300 nan 0.000 0.471 139 Q N 6.789 125.943 119.800 -1.078 0.000 2.313 139 Q HA 0.402 4.755 4.340 0.021 0.000 0.255 139 Q C -3.067 172.351 176.000 -0.970 0.000 0.944 139 Q CA -2.131 53.278 55.803 -0.657 0.000 0.881 139 Q CB 2.797 31.465 28.738 -0.116 0.000 1.375 139 Q HN 0.374 nan 8.270 nan 0.000 0.422 140 P HA 0.042 nan 4.420 nan 0.000 0.275 140 P C -0.427 176.737 177.300 -0.226 0.000 1.228 140 P CA 0.081 62.941 63.100 -0.400 0.000 0.786 140 P CB 0.636 32.280 31.700 -0.093 0.000 0.927 141 Y N 1.229 121.472 120.300 -0.094 0.000 2.286 141 Y HA -0.054 4.509 4.550 0.022 0.000 0.293 141 Y C 1.554 177.428 175.900 -0.043 0.000 1.124 141 Y CA 0.543 58.607 58.100 -0.059 0.000 1.178 141 Y CB 0.132 38.565 38.460 -0.044 0.000 1.010 141 Y HN 0.357 nan 8.280 nan 0.000 0.536 142 K N -0.847 119.608 120.400 0.091 0.000 2.533 142 K HA 0.437 4.770 4.320 0.021 0.000 0.272 142 K C -0.838 175.763 176.600 0.002 0.000 0.985 142 K CA -0.945 55.369 56.287 0.045 0.000 0.876 142 K CB 1.743 34.270 32.500 0.045 0.000 1.452 142 K HN -0.242 nan 8.250 nan 0.000 0.439 143 S N 0.780 116.480 115.700 -0.001 0.000 2.560 143 S HA 0.130 4.612 4.470 0.021 0.000 0.284 143 S C 0.446 175.030 174.600 -0.026 0.000 1.327 143 S CA -0.530 57.660 58.200 -0.016 0.000 1.055 143 S CB -0.137 63.058 63.200 -0.009 0.000 0.868 143 S HN 0.545 nan 8.310 nan 0.000 0.506 144 L N 4.472 125.667 121.223 -0.046 0.000 2.965 144 L HA 0.180 4.533 4.340 0.021 0.000 0.254 144 L C 1.781 178.630 176.870 -0.035 0.000 1.220 144 L CA -0.192 54.627 54.840 -0.035 0.000 1.023 144 L CB -0.139 41.899 42.059 -0.034 0.000 1.355 144 L HN 0.596 nan 8.230 nan 0.000 0.545 145 S N 0.391 116.070 115.700 -0.035 0.000 2.402 145 S HA -0.195 4.288 4.470 0.021 0.000 0.233 145 S C 1.363 175.945 174.600 -0.031 0.000 1.030 145 S CA 1.596 59.775 58.200 -0.034 0.000 1.003 145 S CB -0.086 63.100 63.200 -0.024 0.000 0.813 145 S HN 0.515 nan 8.310 nan 0.000 0.477 146 D N 1.454 121.841 120.400 -0.022 0.000 2.144 146 D HA -0.080 4.572 4.640 0.021 0.000 0.199 146 D C 1.801 178.083 176.300 -0.029 0.000 0.984 146 D CA 1.194 55.181 54.000 -0.021 0.000 0.834 146 D CB -0.242 40.551 40.800 -0.011 0.000 0.955 146 D HN 0.642 nan 8.370 nan 0.000 0.465 147 I N -3.781 116.773 120.570 -0.028 0.000 4.035 147 I HA 0.204 4.386 4.170 0.021 0.000 0.321 147 I C 0.485 176.560 176.117 -0.070 0.000 1.289 147 I CA 0.086 61.361 61.300 -0.043 0.000 1.236 147 I CB 0.916 38.908 38.000 -0.013 0.000 1.076 147 I HN -0.232 nan 8.210 nan 0.000 0.418 148 T N 1.577 116.090 114.554 -0.067 0.000 2.956 148 T HA 0.349 4.712 4.350 0.021 0.000 0.312 148 T C -0.150 174.495 174.700 -0.092 0.000 1.151 148 T CA -0.726 61.316 62.100 -0.096 0.000 1.024 148 T CB 1.797 70.597 68.868 -0.113 0.000 1.140 148 T HN 0.440 nan 8.240 nan 0.000 0.473 149 K N 2.313 122.658 120.400 -0.092 0.000 2.410 149 K HA 0.638 4.970 4.320 0.021 0.000 0.200 149 K C 0.647 177.208 176.600 -0.066 0.000 1.023 149 K CA -0.433 55.813 56.287 -0.069 0.000 1.149 149 K CB 0.417 32.882 32.500 -0.059 0.000 0.859 149 K HN 0.471 nan 8.250 nan 0.000 0.514 150 A N 1.945 124.701 122.820 -0.106 0.000 2.522 150 A HA -0.035 4.298 4.320 0.021 0.000 0.256 150 A C 0.577 178.121 177.584 -0.067 0.000 1.086 150 A CA -0.016 51.970 52.037 -0.085 0.000 0.763 150 A CB 0.073 18.971 19.000 -0.170 0.000 1.024 150 A HN 0.473 nan 8.150 nan 0.000 0.502 151 D N 2.206 122.641 120.400 0.059 0.000 2.149 151 D HA -0.247 4.405 4.640 0.021 0.000 0.198 151 D C 1.342 177.717 176.300 0.124 0.000 0.990 151 D CA 2.298 56.348 54.000 0.083 0.000 0.839 151 D CB -0.253 40.618 40.800 0.117 0.000 0.948 151 D HN 0.750 nan 8.370 nan 0.000 0.460 152 F N -0.752 119.207 119.950 0.016 0.000 2.641 152 F HA 0.144 4.685 4.527 0.022 0.000 0.298 152 F C 1.058 176.925 175.800 0.113 0.000 1.146 152 F CA 0.328 58.373 58.000 0.075 0.000 1.464 152 F CB -0.212 38.814 39.000 0.043 0.000 1.101 152 F HN -0.051 nan 8.300 nan 0.000 0.585 153 L N 0.726 121.645 121.223 -0.508 0.000 2.769 153 L HA 0.196 4.549 4.340 0.021 0.000 0.240 153 L C 1.807 178.587 176.870 -0.151 0.000 1.163 153 L CA 0.355 54.971 54.840 -0.373 0.000 0.962 153 L CB -0.046 41.687 42.059 -0.544 0.000 1.258 153 L HN 0.327 nan 8.230 nan 0.000 0.513 154 S N -2.859 112.794 115.700 -0.077 0.000 2.517 154 S HA 0.083 4.565 4.470 0.021 0.000 0.214 154 S C 0.392 174.989 174.600 -0.006 0.000 0.991 154 S CA -0.208 57.970 58.200 -0.037 0.000 0.906 154 S CB 0.297 63.485 63.200 -0.020 0.000 0.789 154 S HN 0.265 nan 8.310 nan 0.000 0.513 155 D N 1.279 121.687 120.400 0.013 0.000 2.763 155 D HA 0.340 4.993 4.640 0.021 0.000 0.235 155 D C -2.511 173.806 176.300 0.028 0.000 1.334 155 D CA -1.890 52.125 54.000 0.024 0.000 0.950 155 D CB 2.310 43.133 40.800 0.038 0.000 1.433 155 D HN -0.106 nan 8.370 nan 0.000 0.580 156 P HA -0.003 nan 4.420 nan 0.000 0.234 156 P C 0.332 177.651 177.300 0.032 0.000 1.167 156 P CA 0.405 63.517 63.100 0.021 0.000 0.763 156 P CB 0.491 32.213 31.700 0.038 0.000 0.835 157 N N -0.132 118.589 118.700 0.035 0.000 2.280 157 N HA 0.016 4.769 4.740 0.021 0.000 0.192 157 N C 0.655 176.191 175.510 0.044 0.000 1.109 157 N CA 0.231 53.303 53.050 0.036 0.000 0.855 157 N CB 0.586 39.090 38.487 0.029 0.000 0.974 157 N HN 0.330 nan 8.380 nan 0.000 0.482 158 K N 1.097 121.533 120.400 0.059 0.000 2.185 158 K HA 0.393 4.726 4.320 0.021 0.000 0.269 158 K C -1.059 175.616 176.600 0.125 0.000 0.987 158 K CA -0.463 55.876 56.287 0.086 0.000 0.865 158 K CB 0.968 33.529 32.500 0.103 0.000 1.090 158 K HN -0.222 nan 8.250 nan 0.000 0.450 159 I N 2.858 123.514 120.570 0.144 0.000 2.378 159 I HA 0.179 4.362 4.170 0.021 0.000 0.291 159 I C -0.593 175.686 176.117 0.271 0.000 0.992 159 I CA -0.147 61.277 61.300 0.208 0.000 1.154 159 I CB 2.248 40.317 38.000 0.116 0.000 1.315 159 I HN 0.574 nan 8.210 nan 0.000 0.448 160 T N 7.901 122.702 114.554 0.411 0.000 2.756 160 T HA 0.420 4.782 4.350 0.021 0.000 0.290 160 T C -2.531 172.439 174.700 0.450 0.000 0.985 160 T CA -1.380 60.990 62.100 0.450 0.000 0.955 160 T CB 1.145 70.380 68.868 0.612 0.000 0.930 160 T HN 0.198 nan 8.240 nan 0.000 0.451 161 P HA 0.275 nan 4.420 nan 0.000 0.269 161 P C -0.561 176.995 177.300 0.428 0.000 1.209 161 P CA -0.416 62.888 63.100 0.339 0.000 0.776 161 P CB 0.526 32.343 31.700 0.194 0.000 0.876 162 V N -0.641 119.470 119.914 0.329 0.000 3.102 162 V HA 0.753 4.886 4.120 0.021 0.000 0.312 162 V C -1.346 174.916 176.094 0.278 0.000 1.135 162 V CA -0.993 61.400 62.300 0.154 0.000 1.022 162 V CB 2.285 33.997 31.823 -0.185 0.000 1.056 162 V HN 0.363 nan 8.190 nan 0.000 0.436 163 F N 1.515 121.433 119.950 -0.052 0.000 2.562 163 F HA 0.826 5.366 4.527 0.021 0.000 0.319 163 F C -0.974 174.716 175.800 -0.184 0.000 1.154 163 F CA -0.630 57.294 58.000 -0.126 0.000 0.931 163 F CB 1.872 40.815 39.000 -0.095 0.000 1.198 163 F HN 0.522 nan 8.300 nan 0.000 0.444 164 V N 6.501 125.968 119.914 -0.744 0.000 2.513 164 V HA 0.590 4.723 4.120 0.021 0.000 0.299 164 V C -0.623 174.826 176.094 -1.074 0.000 1.035 164 V CA -0.817 60.960 62.300 -0.872 0.000 0.889 164 V CB 1.932 33.133 31.823 -1.037 0.000 0.988 164 V HN 0.740 nan 8.190 nan 0.000 0.440 165 R N 3.318 123.212 120.500 -1.010 0.000 2.476 165 R HA 0.609 4.962 4.340 0.021 0.000 0.305 165 R C -1.657 174.101 176.300 -0.903 0.000 0.965 165 R CA -0.397 55.219 56.100 -0.806 0.000 0.867 165 R CB 1.152 31.195 30.300 -0.428 0.000 1.176 165 R HN 0.554 nan 8.270 nan 0.000 0.447 166 F N 1.915 121.458 119.950 -0.677 0.000 2.432 166 F HA 0.572 5.111 4.527 0.021 0.000 0.329 166 F C 0.484 175.929 175.800 -0.592 0.000 1.076 166 F CA -0.229 57.253 58.000 -0.865 0.000 1.018 166 F CB 2.202 40.238 39.000 -1.608 0.000 1.201 166 F HN 0.643 nan 8.300 nan 0.000 0.489 167 S N -1.136 114.466 115.700 -0.164 0.000 2.643 167 S HA 0.632 5.115 4.470 0.021 0.000 0.270 167 S C -0.634 174.069 174.600 0.172 0.000 1.166 167 S CA -0.880 57.340 58.200 0.033 0.000 0.815 167 S CB 1.350 64.564 63.200 0.023 0.000 1.139 167 S HN 0.731 nan 8.310 nan 0.000 0.472 168 T N -1.709 112.972 114.554 0.211 0.000 2.852 168 T HA 0.699 5.062 4.350 0.021 0.000 0.281 168 T C 0.766 175.574 174.700 0.179 0.000 0.993 168 T CA -0.194 62.035 62.100 0.215 0.000 0.933 168 T CB 0.576 69.568 68.868 0.207 0.000 1.187 168 T HN 0.596 nan 8.240 nan 0.000 0.559 169 V N -0.049 119.971 119.914 0.177 0.000 2.854 169 V HA 0.101 4.234 4.120 0.021 0.000 0.236 169 V C 2.771 178.937 176.094 0.120 0.000 1.157 169 V CA 0.404 62.813 62.300 0.182 0.000 1.187 169 V CB -0.330 31.651 31.823 0.264 0.000 0.949 169 V HN 0.887 nan 8.190 nan 0.000 0.488 170 Q N 1.148 120.994 119.800 0.077 0.000 2.062 170 Q HA 0.046 4.399 4.340 0.021 0.000 0.196 170 Q C 1.300 177.308 176.000 0.014 0.000 0.967 170 Q CA 1.465 57.277 55.803 0.014 0.000 0.832 170 Q CB -0.369 28.349 28.738 -0.034 0.000 0.899 170 Q HN 0.577 nan 8.270 nan 0.000 0.442 171 G N -0.067 108.751 108.800 0.031 0.000 2.606 171 G HA2 0.376 4.349 3.960 0.021 0.000 0.252 171 G HA3 0.376 4.349 3.960 0.021 0.000 0.252 171 G C 0.185 175.103 174.900 0.030 0.000 1.206 171 G CA 0.060 45.172 45.100 0.021 0.000 0.861 171 G HN 0.355 nan 8.290 nan 0.000 0.561 172 G N -0.949 107.859 108.800 0.014 0.000 2.683 172 G HA2 0.455 4.428 3.960 0.021 0.000 0.260 172 G HA3 0.455 4.428 3.960 0.021 0.000 0.260 172 G C 1.388 176.318 174.900 0.050 0.000 1.238 172 G CA 0.460 45.574 45.100 0.023 0.000 0.934 172 G HN 1.105 nan 8.290 nan 0.000 0.534 173 A N -0.734 122.123 122.820 0.061 0.000 2.019 173 A HA 0.119 4.451 4.320 0.021 0.000 0.219 173 A C 2.230 179.857 177.584 0.073 0.000 1.164 173 A CA 2.023 54.116 52.037 0.093 0.000 0.644 173 A CB -0.385 18.682 19.000 0.111 0.000 0.805 173 A HN 1.160 nan 8.150 nan 0.000 0.449 174 G N -0.339 108.485 108.800 0.039 0.000 3.337 174 G HA2 0.351 4.324 3.960 0.021 0.000 0.246 174 G HA3 0.351 4.324 3.960 0.021 0.000 0.246 174 G C 0.682 175.588 174.900 0.010 0.000 1.131 174 G CA 0.677 45.786 45.100 0.015 0.000 0.773 174 G HN 0.641 nan 8.290 nan 0.000 0.544 175 S N -0.174 115.541 115.700 0.024 0.000 2.646 175 S HA 0.771 5.254 4.470 0.021 0.000 0.273 175 S C 0.393 175.011 174.600 0.030 0.000 1.168 175 S CA -0.146 58.065 58.200 0.018 0.000 1.013 175 S CB 1.451 64.663 63.200 0.021 0.000 1.098 175 S HN 0.532 nan 8.310 nan 0.000 0.544 176 A N -0.050 122.784 122.820 0.024 0.000 2.293 176 A HA 0.484 4.817 4.320 0.021 0.000 0.302 176 A C 0.501 178.117 177.584 0.052 0.000 1.119 176 A CA -0.637 51.411 52.037 0.018 0.000 0.823 176 A CB 0.024 19.015 19.000 -0.016 0.000 1.097 176 A HN 0.809 nan 8.150 nan 0.000 0.491 177 D N 0.686 121.110 120.400 0.040 0.000 2.123 177 D HA -0.083 4.569 4.640 0.021 0.000 0.200 177 D C 1.711 178.039 176.300 0.047 0.000 0.976 177 D CA 2.299 56.346 54.000 0.078 0.000 0.831 177 D CB -0.208 40.596 40.800 0.006 0.000 0.974 177 D HN 0.683 nan 8.370 nan 0.000 0.469 178 T N -0.404 114.095 114.554 -0.093 0.000 3.393 178 T HA 0.245 4.608 4.350 0.021 0.000 0.248 178 T C 0.931 175.645 174.700 0.023 0.000 0.992 178 T CA -0.502 61.547 62.100 -0.084 0.000 0.929 178 T CB -0.947 67.782 68.868 -0.232 0.000 1.065 178 T HN -0.055 nan 8.240 nan 0.000 0.597 179 V N -1.131 118.840 119.914 0.096 0.000 3.376 179 V HA 0.397 4.530 4.120 0.021 0.000 0.303 179 V C 0.719 176.973 176.094 0.267 0.000 1.100 179 V CA -1.389 61.016 62.300 0.176 0.000 1.126 179 V CB 0.303 32.218 31.823 0.154 0.000 1.085 179 V HN 0.544 nan 8.190 nan 0.000 0.480 180 R N 1.404 122.117 120.500 0.355 0.000 2.298 180 R HA 0.499 4.852 4.340 0.021 0.000 0.310 180 R C -0.796 175.602 176.300 0.163 0.000 1.068 180 R CA 0.022 56.279 56.100 0.262 0.000 0.957 180 R CB 0.344 30.713 30.300 0.114 0.000 1.003 180 R HN 1.097 nan 8.270 nan 0.000 0.454 181 D N 2.828 123.332 120.400 0.172 0.000 2.913 181 D HA 0.133 4.786 4.640 0.021 0.000 0.293 181 D C -1.132 175.293 176.300 0.209 0.000 1.238 181 D CA -0.606 53.492 54.000 0.164 0.000 0.738 181 D CB 0.842 41.734 40.800 0.153 0.000 1.254 181 D HN 0.228 nan 8.370 nan 0.000 0.429 182 I N 1.341 122.054 120.570 0.239 0.000 2.662 182 I HA 0.340 4.523 4.170 0.021 0.000 0.291 182 I C 0.723 176.988 176.117 0.246 0.000 1.046 182 I CA -0.207 61.234 61.300 0.236 0.000 1.361 182 I CB 0.377 38.540 38.000 0.273 0.000 1.429 182 I HN 0.280 nan 8.210 nan 0.000 0.558 183 R N 3.076 123.723 120.500 0.245 0.000 2.589 183 R HA 0.559 4.911 4.340 0.021 0.000 0.293 183 R C -0.024 176.408 176.300 0.220 0.000 0.963 183 R CA -0.721 55.528 56.100 0.248 0.000 0.905 183 R CB 1.419 31.889 30.300 0.283 0.000 1.144 183 R HN 0.795 nan 8.270 nan 0.000 0.459 184 G N 0.982 109.880 108.800 0.162 0.000 2.448 184 G HA2 0.460 4.432 3.960 0.021 0.000 0.285 184 G HA3 0.460 4.432 3.960 0.021 0.000 0.285 184 G C -1.245 173.710 174.900 0.091 0.000 1.176 184 G CA -0.083 45.083 45.100 0.110 0.000 0.852 184 G HN 0.378 nan 8.290 nan 0.000 0.530 185 F N 1.662 121.527 119.950 -0.142 0.000 3.034 185 F HA 0.631 5.171 4.527 0.021 0.000 0.371 185 F C -0.242 175.307 175.800 -0.419 0.000 1.233 185 F CA -1.795 56.044 58.000 -0.267 0.000 1.134 185 F CB 1.005 39.947 39.000 -0.097 0.000 1.495 185 F HN 0.669 nan 8.300 nan 0.000 0.563 186 A N 3.384 125.970 122.820 -0.391 0.000 2.318 186 A HA 0.780 5.113 4.320 0.021 0.000 0.324 186 A C -0.586 176.559 177.584 -0.732 0.000 1.170 186 A CA -0.457 51.172 52.037 -0.681 0.000 0.810 186 A CB 0.883 19.086 19.000 -1.328 0.000 1.198 186 A HN 0.540 nan 8.150 nan 0.000 0.484 187 T N 2.433 116.719 114.554 -0.447 0.000 2.809 187 T HA 0.384 4.747 4.350 0.021 0.000 0.284 187 T C -0.353 174.158 174.700 -0.315 0.000 0.992 187 T CA -0.427 61.426 62.100 -0.411 0.000 0.957 187 T CB 0.902 69.510 68.868 -0.433 0.000 0.942 187 T HN 0.636 nan 8.240 nan 0.000 0.439 188 K N 3.540 123.841 120.400 -0.164 0.000 2.240 188 K HA 0.459 4.792 4.320 0.021 0.000 0.271 188 K C -1.303 174.973 176.600 -0.540 0.000 1.018 188 K CA -0.599 55.518 56.287 -0.284 0.000 0.874 188 K CB 0.450 32.752 32.500 -0.330 0.000 1.098 188 K HN 0.406 nan 8.250 nan 0.000 0.458 189 F N 4.598 124.282 119.950 -0.442 0.000 2.361 189 F HA 0.247 4.787 4.527 0.021 0.000 0.364 189 F C -0.547 175.067 175.800 -0.309 0.000 1.120 189 F CA -0.654 57.148 58.000 -0.330 0.000 1.102 189 F CB 0.699 39.420 39.000 -0.464 0.000 1.183 189 F HN 0.454 nan 8.300 nan 0.000 0.476 190 Y N 1.928 122.295 120.300 0.112 0.000 2.636 190 Y HA 0.205 4.768 4.550 0.021 0.000 0.341 190 Y C 1.153 177.111 175.900 0.097 0.000 1.169 190 Y CA -0.873 57.270 58.100 0.072 0.000 1.498 190 Y CB -0.292 38.199 38.460 0.052 0.000 1.362 190 Y HN 0.551 nan 8.280 nan 0.000 0.494 191 T N -2.174 112.477 114.554 0.162 0.000 2.770 191 T HA 0.127 4.490 4.350 0.021 0.000 0.281 191 T C 1.012 175.804 174.700 0.154 0.000 0.981 191 T CA -0.635 61.564 62.100 0.164 0.000 0.955 191 T CB 0.917 69.850 68.868 0.107 0.000 1.060 191 T HN 0.655 nan 8.240 nan 0.000 0.531 192 E N -0.144 120.147 120.200 0.152 0.000 2.427 192 E HA -0.005 4.358 4.350 0.021 0.000 0.196 192 E C 0.914 177.574 176.600 0.099 0.000 1.028 192 E CA 0.574 57.044 56.400 0.117 0.000 0.864 192 E CB 0.129 29.894 29.700 0.108 0.000 0.813 192 E HN 0.723 nan 8.360 nan 0.000 0.514 193 E N 0.337 120.598 120.200 0.101 0.000 2.789 193 E HA 0.274 4.637 4.350 0.021 0.000 0.208 193 E C 0.004 176.642 176.600 0.064 0.000 0.988 193 E CA -0.307 56.143 56.400 0.083 0.000 1.092 193 E CB 1.314 31.067 29.700 0.088 0.000 1.066 193 E HN 0.185 nan 8.360 nan 0.000 0.465 194 G N 1.117 109.950 108.800 0.055 0.000 2.406 194 G HA2 -0.117 3.856 3.960 0.021 0.000 0.680 194 G HA3 -0.117 3.856 3.960 0.021 0.000 0.680 194 G C -0.891 174.009 174.900 -0.001 0.000 1.338 194 G CA -1.163 43.946 45.100 0.015 0.000 0.941 194 G HN 0.021 nan 8.290 nan 0.000 0.633 195 I N 0.858 121.392 120.570 -0.060 0.000 2.598 195 I HA 0.365 4.548 4.170 0.021 0.000 0.284 195 I C 0.244 176.349 176.117 -0.020 0.000 1.140 195 I CA -0.187 61.050 61.300 -0.106 0.000 1.420 195 I CB 0.472 38.339 38.000 -0.221 0.000 1.387 195 I HN 0.465 nan 8.210 nan 0.000 0.553 196 F N 6.845 126.683 119.950 -0.187 0.000 2.427 196 F HA 0.462 5.002 4.527 0.021 0.000 0.348 196 F C -0.561 175.203 175.800 -0.060 0.000 1.125 196 F CA -1.297 56.588 58.000 -0.191 0.000 0.989 196 F CB 0.774 39.491 39.000 -0.472 0.000 1.165 196 F HN 0.366 nan 8.300 nan 0.000 0.442 197 D N 6.594 126.791 120.400 -0.339 0.000 2.303 197 D HA 0.262 4.915 4.640 0.021 0.000 0.236 197 D C -1.003 174.856 176.300 -0.736 0.000 1.068 197 D CA -0.153 53.615 54.000 -0.388 0.000 0.830 197 D CB 2.303 43.091 40.800 -0.019 0.000 1.109 197 D HN 0.515 nan 8.370 nan 0.000 0.496 198 L N 3.887 124.660 121.223 -0.751 0.000 2.321 198 L HA 0.265 4.618 4.340 0.021 0.000 0.272 198 L C -1.115 175.576 176.870 -0.299 0.000 1.050 198 L CA -0.669 53.799 54.840 -0.619 0.000 0.893 198 L CB 0.961 42.647 42.059 -0.622 0.000 1.272 198 L HN 0.067 nan 8.230 nan 0.000 0.435 199 V N 5.822 125.613 119.914 -0.204 0.000 2.284 199 V HA 0.711 4.844 4.120 0.021 0.000 0.260 199 V C 0.920 176.972 176.094 -0.070 0.000 1.084 199 V CA 0.166 62.367 62.300 -0.165 0.000 0.894 199 V CB -0.166 31.561 31.823 -0.160 0.000 1.119 199 V HN 0.840 nan 8.190 nan 0.000 0.484 200 G N 3.455 112.218 108.800 -0.062 0.000 3.209 200 G HA2 0.651 4.624 3.960 0.021 0.000 0.236 200 G HA3 0.651 4.624 3.960 0.021 0.000 0.236 200 G C -0.884 174.046 174.900 0.050 0.000 1.329 200 G CA -0.616 44.480 45.100 -0.007 0.000 1.015 200 G HN 0.478 nan 8.290 nan 0.000 0.571 201 N N -0.913 117.848 118.700 0.101 0.000 2.966 201 N HA 0.259 5.012 4.740 0.021 0.000 0.314 201 N C 0.287 175.961 175.510 0.273 0.000 1.397 201 N CA -0.700 52.456 53.050 0.177 0.000 0.776 201 N CB 1.158 39.734 38.487 0.148 0.000 1.576 201 N HN 0.523 nan 8.380 nan 0.000 0.592 202 N N -1.296 117.586 118.700 0.304 0.000 2.270 202 N HA 0.007 4.760 4.740 0.021 0.000 0.198 202 N C -0.622 175.140 175.510 0.420 0.000 1.117 202 N CA -0.068 53.220 53.050 0.397 0.000 0.845 202 N CB -0.055 38.645 38.487 0.355 0.000 0.980 202 N HN 0.540 nan 8.380 nan 0.000 0.486 203 T N -3.247 111.378 114.554 0.118 0.000 2.900 203 T HA 0.439 4.802 4.350 0.021 0.000 0.295 203 T C -2.609 171.496 174.700 -0.991 0.000 1.044 203 T CA -1.585 60.198 62.100 -0.528 0.000 0.995 203 T CB 3.015 71.514 68.868 -0.615 0.000 1.072 203 T HN -0.242 nan 8.240 nan 0.000 0.473 204 P HA 0.174 nan 4.420 nan 0.000 0.245 204 P C 0.427 177.186 177.300 -0.902 0.000 1.212 204 P CA 0.113 62.267 63.100 -1.577 0.000 0.774 204 P CB -0.074 30.608 31.700 -1.697 0.000 0.999 205 I N -4.652 115.380 120.570 -0.898 0.000 3.264 205 I HA 0.545 4.728 4.170 0.021 0.000 0.315 205 I C -1.384 174.456 176.117 -0.461 0.000 1.154 205 I CA -1.945 58.988 61.300 -0.611 0.000 0.962 205 I CB 1.490 39.115 38.000 -0.624 0.000 1.265 205 I HN -0.253 nan 8.210 nan 0.000 0.463 206 F N 0.508 120.175 119.950 -0.471 0.000 2.613 206 F HA 0.514 5.054 4.527 0.021 0.000 0.342 206 F C 0.391 175.959 175.800 -0.386 0.000 1.066 206 F CA -0.708 57.054 58.000 -0.398 0.000 1.002 206 F CB 1.926 40.809 39.000 -0.194 0.000 1.319 206 F HN 0.392 nan 8.300 nan 0.000 0.495 207 F N 1.818 121.126 119.950 -1.069 0.000 2.293 207 F HA 0.074 4.614 4.527 0.021 0.000 0.297 207 F C 0.612 176.175 175.800 -0.396 0.000 1.089 207 F CA 0.639 58.160 58.000 -0.797 0.000 1.377 207 F CB -0.129 38.030 39.000 -1.403 0.000 1.051 207 F HN 0.113 nan 8.300 nan 0.000 0.511 208 I N -3.183 117.395 120.570 0.014 0.000 2.957 208 I HA 0.385 4.568 4.170 0.021 0.000 0.310 208 I C 0.474 176.725 176.117 0.224 0.000 1.063 208 I CA -0.805 60.583 61.300 0.148 0.000 1.033 208 I CB 1.742 39.870 38.000 0.214 0.000 1.230 208 I HN -0.132 nan 8.210 nan 0.000 0.447 209 Q N 0.271 120.204 119.800 0.221 0.000 2.304 209 Q HA 0.133 4.486 4.340 0.021 0.000 0.204 209 Q C -0.244 175.905 176.000 0.247 0.000 0.936 209 Q CA 0.563 56.533 55.803 0.279 0.000 0.878 209 Q CB 0.410 29.371 28.738 0.371 0.000 0.983 209 Q HN 0.680 nan 8.270 nan 0.000 0.516 210 D N -0.845 119.670 120.400 0.192 0.000 2.278 210 D HA 0.312 4.964 4.640 0.021 0.000 0.245 210 D C 0.136 176.545 176.300 0.182 0.000 1.052 210 D CA -0.178 53.908 54.000 0.145 0.000 0.834 210 D CB 1.835 42.691 40.800 0.092 0.000 1.194 210 D HN 0.078 nan 8.370 nan 0.000 0.481 211 A N 3.585 126.487 122.820 0.136 0.000 2.024 211 A HA -0.247 4.086 4.320 0.021 0.000 0.220 211 A C 1.843 179.524 177.584 0.162 0.000 1.164 211 A CA 1.808 53.920 52.037 0.125 0.000 0.643 211 A CB -0.849 18.174 19.000 0.039 0.000 0.806 211 A HN 0.857 nan 8.150 nan 0.000 0.451 212 H N 0.164 119.278 119.070 0.072 0.000 2.394 212 H HA -0.126 4.443 4.556 0.022 0.000 0.297 212 H C 1.296 176.689 175.328 0.107 0.000 1.113 212 H CA 2.105 58.191 56.048 0.063 0.000 1.277 212 H CB 0.189 29.968 29.762 0.029 0.000 1.370 212 H HN 0.265 nan 8.280 nan 0.000 0.506 213 K N -0.080 120.469 120.400 0.248 0.000 2.444 213 K HA -0.051 4.281 4.320 0.021 0.000 0.193 213 K C 1.649 178.396 176.600 0.246 0.000 1.024 213 K CA 0.110 56.542 56.287 0.242 0.000 1.077 213 K CB -0.432 32.250 32.500 0.303 0.000 0.833 213 K HN 0.354 nan 8.250 nan 0.000 0.517 214 F N 2.889 122.896 119.950 0.095 0.000 2.091 214 F HA -0.183 4.357 4.527 0.021 0.000 0.299 214 F C -0.850 174.966 175.800 0.027 0.000 1.103 214 F CA 1.612 59.681 58.000 0.116 0.000 1.228 214 F CB -0.537 38.511 39.000 0.080 0.000 0.984 214 F HN 0.078 nan 8.300 nan 0.000 0.477 215 P HA -0.128 nan 4.420 nan 0.000 0.218 215 P C 0.906 177.907 177.300 -0.498 0.000 1.149 215 P CA 1.709 64.582 63.100 -0.379 0.000 0.817 215 P CB -0.066 31.439 31.700 -0.326 0.000 0.785 216 D N -1.247 119.008 120.400 -0.241 0.000 2.123 216 D HA -0.131 4.522 4.640 0.021 0.000 0.200 216 D C 1.823 177.861 176.300 -0.438 0.000 0.976 216 D CA 0.930 54.821 54.000 -0.181 0.000 0.831 216 D CB -0.775 40.093 40.800 0.113 0.000 0.974 216 D HN 0.165 nan 8.370 nan 0.000 0.469 217 F N 2.095 121.665 119.950 -0.633 0.000 2.075 217 F HA -0.229 4.311 4.527 0.021 0.000 0.297 217 F C 2.276 177.696 175.800 -0.632 0.000 1.113 217 F CA 1.186 58.612 58.000 -0.956 0.000 1.218 217 F CB -0.230 38.442 39.000 -0.547 0.000 0.984 217 F HN -0.265 nan 8.300 nan 0.000 0.472 218 V N 0.382 119.906 119.914 -0.649 0.000 2.343 218 V HA -0.345 3.788 4.120 0.021 0.000 0.247 218 V C 2.282 178.172 176.094 -0.340 0.000 1.051 218 V CA 2.459 64.409 62.300 -0.583 0.000 1.036 218 V CB -1.071 30.407 31.823 -0.575 0.000 0.654 218 V HN 0.486 nan 8.190 nan 0.000 0.451 219 H N -0.377 118.473 119.070 -0.366 0.000 2.421 219 H HA -0.115 4.454 4.556 0.021 0.000 0.298 219 H C 2.303 177.487 175.328 -0.239 0.000 1.087 219 H CA 1.011 56.920 56.048 -0.232 0.000 1.330 219 H CB 0.074 29.748 29.762 -0.147 0.000 1.388 219 H HN 0.493 nan 8.280 nan 0.000 0.526 220 A N 0.377 123.030 122.820 -0.279 0.000 1.929 220 A HA -0.087 4.246 4.320 0.021 0.000 0.216 220 A C 2.470 179.909 177.584 -0.241 0.000 1.176 220 A CA 1.167 53.041 52.037 -0.272 0.000 0.628 220 A CB -0.591 18.151 19.000 -0.431 0.000 0.816 220 A HN 0.294 nan 8.150 nan 0.000 0.444 221 V N -0.166 119.483 119.914 -0.440 0.000 2.788 221 V HA 0.002 4.135 4.120 0.021 0.000 0.251 221 V C 0.936 177.006 176.094 -0.041 0.000 1.068 221 V CA 0.791 62.910 62.300 -0.302 0.000 1.090 221 V CB -0.461 30.988 31.823 -0.625 0.000 0.710 221 V HN 0.339 nan 8.190 nan 0.000 0.467 222 K N 0.955 121.296 120.400 -0.099 0.000 2.156 222 K HA 0.201 4.534 4.320 0.021 0.000 0.242 222 K C -2.271 174.289 176.600 -0.067 0.000 1.033 222 K CA -1.497 54.744 56.287 -0.077 0.000 0.878 222 K CB -0.421 32.024 32.500 -0.091 0.000 1.057 222 K HN 0.168 nan 8.250 nan 0.000 0.505 223 P HA -0.014 nan 4.420 nan 0.000 0.265 223 P C -0.642 176.608 177.300 -0.084 0.000 1.193 223 P CA 0.398 63.377 63.100 -0.201 0.000 0.765 223 P CB 0.337 31.925 31.700 -0.187 0.000 0.823 224 E N 5.549 125.742 120.200 -0.011 0.000 2.414 224 E HA -0.032 4.331 4.350 0.021 0.000 0.263 224 E C -1.153 175.518 176.600 0.118 0.000 1.000 224 E CA -1.162 55.333 56.400 0.158 0.000 0.914 224 E CB 0.139 30.057 29.700 0.363 0.000 0.948 224 E HN 0.433 nan 8.360 nan 0.000 0.444 225 P HA -0.234 nan 4.420 nan 0.000 0.218 225 P C 1.063 178.422 177.300 0.098 0.000 1.149 225 P CA 1.530 64.668 63.100 0.063 0.000 0.817 225 P CB 0.001 31.718 31.700 0.027 0.000 0.785 226 H N -0.800 118.293 119.070 0.039 0.000 2.326 226 H HA -0.088 4.480 4.556 0.021 0.000 0.301 226 H C 1.432 176.838 175.328 0.130 0.000 1.081 226 H CA 1.489 57.543 56.048 0.010 0.000 1.334 226 H CB -1.361 28.333 29.762 -0.112 0.000 1.385 226 H HN 0.317 nan 8.280 nan 0.000 0.504 227 W N -0.299 120.596 121.300 -0.675 0.000 2.870 227 W HA 0.721 5.393 4.660 0.021 0.000 0.358 227 W C 0.472 176.824 176.519 -0.278 0.000 1.043 227 W CA -1.445 55.661 57.345 -0.398 0.000 1.692 227 W CB -0.843 28.379 29.460 -0.397 0.000 1.100 227 W HN 0.436 nan 8.180 nan 0.000 0.557 228 A N 1.163 123.980 122.820 -0.005 0.000 2.667 228 A HA -0.135 4.198 4.320 0.021 0.000 0.298 228 A C -0.430 176.953 177.584 -0.335 0.000 1.483 228 A CA 1.438 53.395 52.037 -0.135 0.000 0.738 228 A CB -2.384 16.552 19.000 -0.107 0.000 1.067 228 A HN 0.489 nan 8.150 nan 0.000 0.451 229 I N 0.388 120.633 120.570 -0.540 0.000 2.722 229 I HA 0.562 4.744 4.170 0.021 0.000 0.295 229 I C -2.557 173.261 176.117 -0.498 0.000 1.161 229 I CA -2.311 58.551 61.300 -0.729 0.000 1.032 229 I CB 3.098 40.190 38.000 -1.514 0.000 1.244 229 I HN 0.209 nan 8.210 nan 0.000 0.421 230 P HA 0.329 nan 4.420 nan 0.000 0.292 230 P C -1.679 175.458 177.300 -0.271 0.000 1.308 230 P CA -0.898 61.977 63.100 -0.374 0.000 0.933 230 P CB 1.666 33.208 31.700 -0.264 0.000 1.217 231 Q N 0.747 120.435 119.800 -0.187 0.000 2.288 231 Q HA 0.486 4.838 4.340 0.021 0.000 0.258 231 Q C 1.041 177.007 176.000 -0.056 0.000 0.957 231 Q CA 0.970 56.702 55.803 -0.118 0.000 0.919 231 Q CB -0.370 28.310 28.738 -0.097 0.000 1.185 231 Q HN 0.823 nan 8.270 nan 0.000 0.408 232 G N 3.248 112.026 108.800 -0.036 0.000 2.198 232 G HA2 -0.288 3.685 3.960 0.021 0.000 0.260 232 G HA3 -0.288 3.685 3.960 0.021 0.000 0.260 232 G C -0.386 174.536 174.900 0.037 0.000 1.025 232 G CA 0.502 45.610 45.100 0.013 0.000 0.769 232 G HN 0.551 nan 8.290 nan 0.000 0.507 233 Q N -1.174 118.632 119.800 0.009 0.000 2.345 233 Q HA 0.571 4.924 4.340 0.021 0.000 0.275 233 Q C 0.712 176.730 176.000 0.029 0.000 1.063 233 Q CA -0.154 55.682 55.803 0.054 0.000 0.819 233 Q CB 1.792 30.601 28.738 0.118 0.000 1.356 233 Q HN 0.462 nan 8.270 nan 0.000 0.418 234 S N -0.729 114.899 115.700 -0.119 0.000 2.556 234 S HA 0.252 4.735 4.470 0.021 0.000 0.216 234 S C 0.760 175.319 174.600 -0.068 0.000 0.970 234 S CA -0.085 57.833 58.200 -0.471 0.000 0.912 234 S CB 0.407 62.784 63.200 -1.372 0.000 0.790 234 S HN 0.584 nan 8.310 nan 0.000 0.504 235 A N 2.411 125.368 122.820 0.229 0.000 3.037 235 A HA 0.543 4.876 4.320 0.021 0.000 0.272 235 A C 0.064 177.874 177.584 0.376 0.000 1.723 235 A CA -0.575 51.653 52.037 0.318 0.000 1.413 235 A CB -1.191 17.933 19.000 0.205 0.000 1.112 235 A HN 0.892 nan 8.150 nan 0.000 0.606 236 H N -3.150 116.087 119.070 0.279 0.000 3.003 236 H HA 0.461 5.030 4.556 0.022 0.000 0.327 236 H C -0.261 175.254 175.328 0.312 0.000 1.353 236 H CA -0.785 55.401 56.048 0.231 0.000 1.142 236 H CB 0.276 30.139 29.762 0.168 0.000 1.864 236 H HN 0.106 nan 8.280 nan 0.000 0.529 237 D N 0.339 120.905 120.400 0.278 0.000 2.116 237 D HA -0.223 4.430 4.640 0.021 0.000 0.193 237 D C 2.131 178.497 176.300 0.110 0.000 0.998 237 D CA 3.240 57.347 54.000 0.177 0.000 0.836 237 D CB -0.306 40.576 40.800 0.138 0.000 0.951 237 D HN 0.788 nan 8.370 nan 0.000 0.449 238 T N -1.594 113.017 114.554 0.096 0.000 2.833 238 T HA -0.216 4.146 4.350 0.021 0.000 0.269 238 T C 1.885 176.527 174.700 -0.097 0.000 1.054 238 T CA 0.760 62.881 62.100 0.035 0.000 1.135 238 T CB -0.720 68.216 68.868 0.113 0.000 0.869 238 T HN 0.189 nan 8.240 nan 0.000 0.466 239 F N 0.787 120.422 119.950 -0.524 0.000 2.075 239 F HA 0.067 4.607 4.527 0.021 0.000 0.297 239 F C 1.905 177.424 175.800 -0.468 0.000 1.113 239 F CA 0.836 58.449 58.000 -0.645 0.000 1.218 239 F CB -0.574 37.857 39.000 -0.948 0.000 0.984 239 F HN 0.143 nan 8.300 nan 0.000 0.472 240 W N 0.653 121.894 121.300 -0.098 0.000 2.425 240 W HA -0.104 4.569 4.660 0.022 0.000 0.277 240 W C 2.308 178.765 176.519 -0.103 0.000 1.231 240 W CA 1.060 58.342 57.345 -0.105 0.000 1.248 240 W CB -0.643 28.828 29.460 0.017 0.000 1.117 240 W HN 0.091 nan 8.180 nan 0.000 0.568 241 D N -0.599 119.854 120.400 0.089 0.000 2.084 241 D HA -0.297 4.356 4.640 0.021 0.000 0.194 241 D C 1.900 178.210 176.300 0.016 0.000 0.990 241 D CA 1.562 55.597 54.000 0.059 0.000 0.826 241 D CB -0.624 40.217 40.800 0.067 0.000 0.971 241 D HN 0.170 nan 8.370 nan 0.000 0.453 242 Y N 0.531 120.743 120.300 -0.146 0.000 2.081 242 Y HA -0.245 4.318 4.550 0.022 0.000 0.280 242 Y C 2.321 178.101 175.900 -0.200 0.000 1.163 242 Y CA 1.769 59.766 58.100 -0.171 0.000 1.135 242 Y CB -0.533 37.788 38.460 -0.232 0.000 0.970 242 Y HN -0.094 nan 8.280 nan 0.000 0.498 243 V N 0.119 119.925 119.914 -0.181 0.000 2.332 243 V HA -0.350 3.782 4.120 0.021 0.000 0.248 243 V C 2.593 178.640 176.094 -0.078 0.000 1.055 243 V CA 2.268 64.447 62.300 -0.202 0.000 1.038 243 V CB -1.246 30.332 31.823 -0.409 0.000 0.651 243 V HN 0.677 nan 8.190 nan 0.000 0.450 244 S N -0.587 115.113 115.700 0.001 0.000 2.474 244 S HA -0.040 4.443 4.470 0.021 0.000 0.235 244 S C 1.694 176.271 174.600 -0.039 0.000 0.997 244 S CA 1.292 59.513 58.200 0.036 0.000 0.949 244 S CB -0.375 62.877 63.200 0.086 0.000 0.766 244 S HN 0.566 nan 8.310 nan 0.000 0.517 245 L N -0.232 120.915 121.223 -0.127 0.000 2.590 245 L HA 0.325 4.677 4.340 0.021 0.000 0.227 245 L C 0.505 177.213 176.870 -0.271 0.000 1.099 245 L CA 0.136 54.875 54.840 -0.169 0.000 0.872 245 L CB 0.102 42.052 42.059 -0.181 0.000 1.088 245 L HN 0.251 nan 8.230 nan 0.000 0.479 246 Q N 0.506 120.098 119.800 -0.346 0.000 2.771 246 Q HA 0.241 4.594 4.340 0.021 0.000 0.247 246 Q C -1.958 173.835 176.000 -0.346 0.000 0.986 246 Q CA -1.514 54.049 55.803 -0.400 0.000 0.713 246 Q CB 1.679 30.070 28.738 -0.579 0.000 1.241 246 Q HN -0.012 nan 8.270 nan 0.000 0.488 247 P HA -0.204 nan 4.420 nan 0.000 0.225 247 P C 1.023 178.017 177.300 -0.510 0.000 1.148 247 P CA 1.024 63.878 63.100 -0.410 0.000 0.779 247 P CB 0.260 31.702 31.700 -0.430 0.000 0.780 248 E N 0.764 120.524 120.200 -0.734 0.000 2.219 248 E HA -0.200 4.162 4.350 0.021 0.000 0.198 248 E C 1.434 177.991 176.600 -0.071 0.000 0.998 248 E CA 1.934 58.160 56.400 -0.289 0.000 0.818 248 E CB -1.279 28.318 29.700 -0.172 0.000 0.741 248 E HN 0.292 nan 8.360 nan 0.000 0.477 249 T N -0.543 113.976 114.554 -0.059 0.000 3.055 249 T HA 0.015 4.378 4.350 0.021 0.000 0.265 249 T C 1.969 176.743 174.700 0.123 0.000 1.111 249 T CA 0.555 62.688 62.100 0.054 0.000 1.118 249 T CB -0.373 68.548 68.868 0.089 0.000 0.909 249 T HN 0.164 nan 8.240 nan 0.000 0.501 250 L N 0.107 121.407 121.223 0.128 0.000 2.187 250 L HA -0.089 4.263 4.340 0.021 0.000 0.213 250 L C 2.821 179.869 176.870 0.297 0.000 1.100 250 L CA 1.746 56.735 54.840 0.248 0.000 0.765 250 L CB -0.902 41.320 42.059 0.271 0.000 0.904 250 L HN 0.466 nan 8.230 nan 0.000 0.437 251 H N 0.160 119.284 119.070 0.089 0.000 2.276 251 H HA -0.183 4.386 4.556 0.022 0.000 0.301 251 H C 2.153 177.492 175.328 0.018 0.000 1.073 251 H CA 1.701 57.799 56.048 0.082 0.000 1.311 251 H CB 0.214 29.986 29.762 0.016 0.000 1.379 251 H HN 0.360 nan 8.280 nan 0.000 0.494 252 N N -0.055 118.483 118.700 -0.269 0.000 2.309 252 N HA -0.122 4.630 4.740 0.021 0.000 0.182 252 N C 1.875 177.213 175.510 -0.286 0.000 1.018 252 N CA 0.631 53.303 53.050 -0.630 0.000 0.876 252 N CB 0.300 37.992 38.487 -1.326 0.000 0.972 252 N HN 0.129 nan 8.380 nan 0.000 0.434 253 V N 1.484 121.454 119.914 0.094 0.000 2.358 253 V HA -0.218 3.915 4.120 0.021 0.000 0.246 253 V C 2.475 178.715 176.094 0.244 0.000 1.047 253 V CA 1.140 63.640 62.300 0.334 0.000 1.035 253 V CB -0.310 31.772 31.823 0.431 0.000 0.658 253 V HN 0.378 nan 8.190 nan 0.000 0.452 254 M N -1.477 118.294 119.600 0.285 0.000 2.065 254 M HA -0.223 4.270 4.480 0.021 0.000 0.259 254 M C 2.118 178.384 176.300 -0.056 0.000 1.069 254 M CA 2.028 57.481 55.300 0.255 0.000 1.110 254 M CB -1.163 31.608 32.600 0.286 0.000 1.328 254 M HN 0.453 nan 8.290 nan 0.000 0.405 255 W N 0.525 121.532 121.300 -0.489 0.000 2.318 255 W HA -0.179 4.494 4.660 0.021 0.000 0.313 255 W C 2.812 179.237 176.519 -0.157 0.000 1.221 255 W CA 2.140 59.166 57.345 -0.532 0.000 1.266 255 W CB -1.020 28.082 29.460 -0.597 0.000 1.150 255 W HN 0.312 nan 8.180 nan 0.000 0.496 256 A N -1.006 121.884 122.820 0.116 0.000 1.969 256 A HA -0.157 4.176 4.320 0.021 0.000 0.218 256 A C 1.931 179.561 177.584 0.076 0.000 1.169 256 A CA 1.521 53.636 52.037 0.131 0.000 0.635 256 A CB -0.587 18.526 19.000 0.189 0.000 0.810 256 A HN 0.103 nan 8.150 nan 0.000 0.445 257 M N 0.766 120.369 119.600 0.005 0.000 2.394 257 M HA -0.014 4.479 4.480 0.021 0.000 0.264 257 M C 1.599 177.924 176.300 0.041 0.000 1.073 257 M CA 0.967 56.199 55.300 -0.113 0.000 1.111 257 M CB -1.411 30.857 32.600 -0.554 0.000 1.401 257 M HN 0.567 nan 8.290 nan 0.000 0.448 258 S N 0.080 115.863 115.700 0.137 0.000 2.640 258 S HA 0.075 4.557 4.470 0.021 0.000 0.262 258 S C 0.857 175.581 174.600 0.207 0.000 1.232 258 S CA -0.385 57.944 58.200 0.215 0.000 0.988 258 S CB 0.811 64.182 63.200 0.285 0.000 1.034 258 S HN 0.178 nan 8.310 nan 0.000 0.569 259 D N 0.158 120.704 120.400 0.244 0.000 2.310 259 D HA 0.021 4.673 4.640 0.021 0.000 0.212 259 D C 2.018 178.461 176.300 0.239 0.000 0.965 259 D CA 0.463 54.630 54.000 0.279 0.000 0.879 259 D CB -0.186 40.851 40.800 0.395 0.000 0.921 259 D HN 0.368 nan 8.370 nan 0.000 0.510 260 R N 0.242 120.870 120.500 0.213 0.000 2.139 260 R HA -0.078 4.274 4.340 0.021 0.000 0.243 260 R C 2.119 178.567 176.300 0.247 0.000 1.145 260 R CA 1.113 57.359 56.100 0.244 0.000 0.976 260 R CB -0.864 29.628 30.300 0.320 0.000 0.866 260 R HN 0.200 nan 8.270 nan 0.000 0.449 261 G N 1.281 110.215 108.800 0.223 0.000 2.559 261 G HA2 -0.078 3.894 3.960 0.021 0.000 0.216 261 G HA3 -0.078 3.894 3.960 0.021 0.000 0.216 261 G C 1.049 176.089 174.900 0.234 0.000 1.126 261 G CA 0.363 45.590 45.100 0.211 0.000 0.778 261 G HN 0.454 nan 8.290 nan 0.000 0.543 262 I N -2.448 118.272 120.570 0.249 0.000 2.917 262 I HA 0.343 4.526 4.170 0.021 0.000 0.292 262 I C -2.793 173.481 176.117 0.261 0.000 1.510 262 I CA -2.524 58.934 61.300 0.263 0.000 0.858 262 I CB 1.723 39.886 38.000 0.272 0.000 1.862 262 I HN -0.263 nan 8.210 nan 0.000 0.615 263 P HA -0.016 nan 4.420 nan 0.000 0.267 263 P C 0.560 178.012 177.300 0.253 0.000 1.200 263 P CA -0.024 63.191 63.100 0.191 0.000 0.772 263 P CB 1.190 32.934 31.700 0.074 0.000 0.855 264 R N 2.196 122.839 120.500 0.238 0.000 2.115 264 R HA -0.025 4.328 4.340 0.021 0.000 0.230 264 R C 0.567 177.028 176.300 0.268 0.000 1.111 264 R CA 1.611 57.899 56.100 0.313 0.000 0.976 264 R CB -0.419 30.043 30.300 0.271 0.000 0.870 264 R HN 0.657 nan 8.270 nan 0.000 0.445 265 S N -3.308 112.357 115.700 -0.058 0.000 2.611 265 S HA 0.158 4.641 4.470 0.021 0.000 0.270 265 S C -0.185 174.125 174.600 -0.483 0.000 1.131 265 S CA -0.837 57.142 58.200 -0.369 0.000 0.826 265 S CB -0.220 62.895 63.200 -0.142 0.000 1.095 265 S HN 0.045 nan 8.310 nan 0.000 0.461 266 Y N 1.738 121.691 120.300 -0.578 0.000 2.333 266 Y HA 0.092 4.654 4.550 0.021 0.000 0.290 266 Y C 2.451 178.031 175.900 -0.535 0.000 1.144 266 Y CA 1.304 58.933 58.100 -0.785 0.000 1.228 266 Y CB -0.412 37.229 38.460 -1.366 0.000 0.985 266 Y HN 0.585 nan 8.280 nan 0.000 0.542 267 R N -0.561 119.828 120.500 -0.184 0.000 2.235 267 R HA -0.021 4.332 4.340 0.021 0.000 0.213 267 R C 0.981 177.249 176.300 -0.053 0.000 1.059 267 R CA 1.454 57.490 56.100 -0.106 0.000 0.997 267 R CB -0.387 29.838 30.300 -0.124 0.000 0.884 267 R HN 0.309 nan 8.270 nan 0.000 0.462 268 T N -1.407 113.135 114.554 -0.021 0.000 3.393 268 T HA 0.396 4.759 4.350 0.021 0.000 0.255 268 T C 0.080 174.829 174.700 0.082 0.000 1.008 268 T CA -0.711 61.403 62.100 0.024 0.000 1.053 268 T CB -0.098 68.769 68.868 -0.001 0.000 1.120 268 T HN 0.092 nan 8.240 nan 0.000 0.538 269 M N -1.313 118.383 119.600 0.161 0.000 2.575 269 M HA 0.725 5.218 4.480 0.021 0.000 0.284 269 M C -1.204 175.285 176.300 0.314 0.000 1.253 269 M CA -0.903 54.528 55.300 0.218 0.000 0.861 269 M CB 2.117 34.842 32.600 0.209 0.000 1.733 269 M HN -0.123 nan 8.290 nan 0.000 0.462 270 E N 0.333 120.711 120.200 0.297 0.000 2.342 270 E HA 0.685 5.048 4.350 0.021 0.000 0.257 270 E C -0.280 176.395 176.600 0.125 0.000 1.150 270 E CA -0.494 56.019 56.400 0.189 0.000 0.926 270 E CB 1.577 31.337 29.700 0.100 0.000 1.074 270 E HN 0.855 nan 8.360 nan 0.000 0.449 271 G N 0.668 109.318 108.800 -0.250 0.000 2.638 271 G HA2 0.598 4.571 3.960 0.021 0.000 0.302 271 G HA3 0.598 4.571 3.960 0.021 0.000 0.302 271 G C -1.572 172.855 174.900 -0.787 0.000 1.365 271 G CA -0.482 44.404 45.100 -0.357 0.000 0.987 271 G HN 0.260 nan 8.290 nan 0.000 0.495 272 F N 0.344 120.203 119.950 -0.152 0.000 2.581 272 F HA 0.500 5.039 4.527 0.021 0.000 0.311 272 F C 1.163 176.862 175.800 -0.167 0.000 1.113 272 F CA -0.483 57.371 58.000 -0.243 0.000 0.935 272 F CB 2.608 41.427 39.000 -0.302 0.000 1.232 272 F HN 0.602 nan 8.300 nan 0.000 0.445 273 G N 1.279 110.124 108.800 0.076 0.000 2.484 273 G HA2 0.036 4.009 3.960 0.021 0.000 0.218 273 G HA3 0.036 4.009 3.960 0.021 0.000 0.218 273 G C 1.230 176.196 174.900 0.111 0.000 1.130 273 G CA 1.087 46.296 45.100 0.182 0.000 0.784 273 G HN 0.810 nan 8.290 nan 0.000 0.543 274 I N -1.379 119.188 120.570 -0.006 0.000 4.788 274 I HA -0.315 3.868 4.170 0.021 0.000 0.041 274 I C 0.563 176.579 176.117 -0.169 0.000 0.631 274 I CA 1.475 62.656 61.300 -0.198 0.000 0.589 274 I CB -1.201 36.576 38.000 -0.372 0.000 0.571 274 I HN 0.249 nan 8.210 nan 0.000 0.153 275 H N 2.214 121.299 119.070 0.023 0.000 2.757 275 H HA 0.211 4.780 4.556 0.021 0.000 0.370 275 H C 0.027 175.286 175.328 -0.115 0.000 1.172 275 H CA 0.636 56.609 56.048 -0.124 0.000 1.426 275 H CB 0.259 29.805 29.762 -0.361 0.000 1.438 275 H HN 0.223 nan 8.280 nan 0.000 0.612 276 T N 3.585 118.098 114.554 -0.067 0.000 2.761 276 T HA 0.265 4.628 4.350 0.021 0.000 0.296 276 T C 0.181 174.786 174.700 -0.158 0.000 0.934 276 T CA -0.005 62.043 62.100 -0.086 0.000 1.091 276 T CB -0.220 68.555 68.868 -0.155 0.000 0.896 276 T HN 0.233 nan 8.240 nan 0.000 0.515 277 F N 1.282 121.185 119.950 -0.078 0.000 2.671 277 F HA 0.637 5.177 4.527 0.021 0.000 0.373 277 F C 1.006 176.757 175.800 -0.082 0.000 1.122 277 F CA -1.416 56.558 58.000 -0.043 0.000 1.082 277 F CB 1.422 40.371 39.000 -0.085 0.000 1.399 277 F HN 0.150 nan 8.300 nan 0.000 0.509 278 R N 0.822 121.389 120.500 0.112 0.000 2.637 278 R HA 0.627 4.979 4.340 0.021 0.000 0.291 278 R C -1.517 174.676 176.300 -0.178 0.000 0.963 278 R CA -0.852 55.175 56.100 -0.121 0.000 0.901 278 R CB 1.855 32.018 30.300 -0.228 0.000 1.160 278 R HN 0.448 nan 8.270 nan 0.000 0.457 279 L N 3.922 124.989 121.223 -0.259 0.000 2.322 279 L HA 0.542 4.895 4.340 0.021 0.000 0.279 279 L C -0.389 176.325 176.870 -0.260 0.000 1.036 279 L CA -0.846 53.850 54.840 -0.241 0.000 0.807 279 L CB 1.241 43.164 42.059 -0.226 0.000 1.226 279 L HN 0.383 nan 8.230 nan 0.000 0.433 280 I N 2.572 123.014 120.570 -0.215 0.000 2.478 280 I HA 0.256 4.439 4.170 0.021 0.000 0.287 280 I C -0.382 175.648 176.117 -0.146 0.000 1.042 280 I CA -0.765 60.410 61.300 -0.209 0.000 1.067 280 I CB 1.453 39.334 38.000 -0.198 0.000 1.233 280 I HN 0.614 nan 8.210 nan 0.000 0.431 281 N N 4.816 123.443 118.700 -0.123 0.000 2.405 281 N HA 0.354 5.107 4.740 0.021 0.000 0.269 281 N C 0.926 176.393 175.510 -0.072 0.000 1.249 281 N CA -0.234 52.763 53.050 -0.088 0.000 0.974 281 N CB 0.624 39.068 38.487 -0.072 0.000 1.204 281 N HN 0.551 nan 8.380 nan 0.000 0.565 282 A N -0.480 122.307 122.820 -0.055 0.000 2.019 282 A HA -0.131 4.202 4.320 0.021 0.000 0.219 282 A C 1.531 179.092 177.584 -0.037 0.000 1.164 282 A CA 1.363 53.374 52.037 -0.044 0.000 0.644 282 A CB -0.807 18.173 19.000 -0.033 0.000 0.805 282 A HN 0.798 nan 8.150 nan 0.000 0.449 283 E N -1.468 118.711 120.200 -0.035 0.000 2.482 283 E HA 0.286 4.649 4.350 0.021 0.000 0.196 283 E C 1.266 177.853 176.600 -0.021 0.000 1.047 283 E CA 0.687 57.071 56.400 -0.026 0.000 0.869 283 E CB -0.087 29.599 29.700 -0.024 0.000 0.836 283 E HN 0.732 nan 8.360 nan 0.000 0.520 284 G N 1.248 110.031 108.800 -0.028 0.000 2.175 284 G HA2 -0.360 3.613 3.960 0.021 0.000 0.244 284 G HA3 -0.360 3.613 3.960 0.021 0.000 0.244 284 G C 0.276 175.181 174.900 0.008 0.000 0.982 284 G CA 0.175 45.275 45.100 -0.000 0.000 0.641 284 G HN 0.256 nan 8.290 nan 0.000 0.527 285 K N 1.006 121.380 120.400 -0.044 0.000 2.368 285 K HA 0.616 4.949 4.320 0.021 0.000 0.282 285 K C 0.606 177.081 176.600 -0.208 0.000 1.035 285 K CA 0.307 56.546 56.287 -0.080 0.000 0.973 285 K CB 0.438 32.894 32.500 -0.075 0.000 0.957 285 K HN 0.581 nan 8.250 nan 0.000 0.474 286 A N 3.562 126.161 122.820 -0.368 0.000 2.301 286 A HA 0.441 4.774 4.320 0.021 0.000 0.312 286 A C -0.707 176.559 177.584 -0.531 0.000 1.182 286 A CA -0.515 51.133 52.037 -0.649 0.000 0.826 286 A CB 1.178 19.331 19.000 -1.412 0.000 1.134 286 A HN 0.729 nan 8.150 nan 0.000 0.501 287 T N 1.846 116.114 114.554 -0.476 0.000 2.887 287 T HA 0.584 4.947 4.350 0.021 0.000 0.288 287 T C -0.787 173.663 174.700 -0.418 0.000 1.021 287 T CA -0.098 61.770 62.100 -0.387 0.000 1.000 287 T CB 0.666 69.410 68.868 -0.206 0.000 1.034 287 T HN 0.331 nan 8.240 nan 0.000 0.467 288 F N 1.709 121.573 119.950 -0.144 0.000 2.396 288 F HA 0.619 5.159 4.527 0.021 0.000 0.343 288 F C 0.410 176.098 175.800 -0.186 0.000 1.104 288 F CA -0.662 57.247 58.000 -0.152 0.000 1.161 288 F CB 1.081 40.014 39.000 -0.110 0.000 1.146 288 F HN 0.187 nan 8.300 nan 0.000 0.522 289 V N 4.794 124.664 119.914 -0.074 0.000 2.888 289 V HA 0.603 4.736 4.120 0.021 0.000 0.309 289 V C -1.080 174.785 176.094 -0.380 0.000 1.114 289 V CA -0.749 61.364 62.300 -0.311 0.000 0.940 289 V CB 2.146 33.560 31.823 -0.682 0.000 1.021 289 V HN 0.743 nan 8.190 nan 0.000 0.426 290 R N 4.875 125.204 120.500 -0.285 0.000 2.494 290 R HA 0.516 4.869 4.340 0.021 0.000 0.305 290 R C -1.629 174.590 176.300 -0.134 0.000 0.959 290 R CA -0.460 55.524 56.100 -0.193 0.000 0.864 290 R CB 1.950 32.253 30.300 0.004 0.000 1.159 290 R HN 0.583 nan 8.270 nan 0.000 0.446 291 F N 2.579 122.544 119.950 0.025 0.000 2.410 291 F HA 0.332 4.872 4.527 0.021 0.000 0.348 291 F C 1.081 176.788 175.800 -0.155 0.000 1.106 291 F CA -0.015 57.957 58.000 -0.047 0.000 1.163 291 F CB 0.709 39.587 39.000 -0.203 0.000 1.129 291 F HN 0.197 nan 8.300 nan 0.000 0.516 292 H N 1.242 120.305 119.070 -0.012 0.000 2.747 292 H HA 0.289 4.858 4.556 0.022 0.000 0.371 292 H C -1.477 173.646 175.328 -0.342 0.000 1.161 292 H CA -0.959 54.974 56.048 -0.191 0.000 1.167 292 H CB 2.037 31.779 29.762 -0.033 0.000 1.732 292 H HN 0.677 nan 8.280 nan 0.000 0.544 293 W N 2.059 123.241 121.300 -0.197 0.000 2.683 293 W HA 0.313 4.986 4.660 0.021 0.000 0.329 293 W C -0.250 176.282 176.519 0.021 0.000 1.037 293 W CA -0.765 56.515 57.345 -0.109 0.000 1.232 293 W CB 1.902 31.128 29.460 -0.389 0.000 1.390 293 W HN 0.291 nan 8.180 nan 0.000 0.465 294 K N 5.508 126.173 120.400 0.440 0.000 2.235 294 K HA 0.416 4.749 4.320 0.021 0.000 0.266 294 K C -2.437 174.388 176.600 0.374 0.000 0.980 294 K CA -1.929 54.552 56.287 0.323 0.000 0.849 294 K CB 1.601 34.244 32.500 0.238 0.000 1.098 294 K HN 0.033 nan 8.250 nan 0.000 0.445 295 P HA 0.032 nan 4.420 nan 0.000 0.270 295 P C 0.394 177.709 177.300 0.026 0.000 1.242 295 P CA 0.008 63.201 63.100 0.156 0.000 0.768 295 P CB 0.614 32.413 31.700 0.165 0.000 0.820 296 L N 2.683 123.861 121.223 -0.076 0.000 2.456 296 L HA -0.093 4.260 4.340 0.021 0.000 0.224 296 L C 2.146 178.993 176.870 -0.038 0.000 1.148 296 L CA 1.042 55.869 54.840 -0.022 0.000 0.825 296 L CB -0.551 41.506 42.059 -0.002 0.000 0.937 296 L HN 0.339 nan 8.230 nan 0.000 0.450 297 A N -0.117 122.655 122.820 -0.080 0.000 2.251 297 A HA 0.430 4.763 4.320 0.021 0.000 0.209 297 A C 1.252 178.833 177.584 -0.004 0.000 1.187 297 A CA 0.625 52.634 52.037 -0.047 0.000 0.823 297 A CB -0.298 18.655 19.000 -0.079 0.000 0.846 297 A HN 0.445 nan 8.150 nan 0.000 0.486 298 G N -0.596 108.217 108.800 0.021 0.000 2.757 298 G HA2 -0.130 3.843 3.960 0.021 0.000 0.638 298 G HA3 -0.130 3.843 3.960 0.021 0.000 0.638 298 G C -0.645 174.287 174.900 0.053 0.000 1.344 298 G CA -0.434 44.697 45.100 0.051 0.000 0.855 298 G HN 0.452 nan 8.290 nan 0.000 0.537 299 K N 0.133 120.569 120.400 0.059 0.000 2.183 299 K HA 0.729 5.062 4.320 0.021 0.000 0.274 299 K C 0.188 176.784 176.600 -0.007 0.000 1.009 299 K CA 0.196 56.503 56.287 0.033 0.000 0.888 299 K CB 1.779 34.286 32.500 0.010 0.000 1.078 299 K HN 1.473 nan 8.250 nan 0.000 0.459 300 A N 1.718 124.527 122.820 -0.018 0.000 2.566 300 A HA 0.602 4.935 4.320 0.021 0.000 0.297 300 A C -1.160 176.488 177.584 0.107 0.000 1.059 300 A CA -0.669 51.321 52.037 -0.078 0.000 0.691 300 A CB 1.711 20.468 19.000 -0.405 0.000 1.282 300 A HN 0.516 nan 8.150 nan 0.000 0.401 301 S N 0.341 116.271 115.700 0.385 0.000 2.667 301 S HA 0.772 5.255 4.470 0.021 0.000 0.292 301 S C -0.097 174.829 174.600 0.543 0.000 1.126 301 S CA -0.588 57.866 58.200 0.424 0.000 0.881 301 S CB 1.226 64.648 63.200 0.369 0.000 1.132 301 S HN 0.651 nan 8.310 nan 0.000 0.492 302 L N 1.139 122.570 121.223 0.346 0.000 2.600 302 L HA 0.593 4.946 4.340 0.021 0.000 0.221 302 L C -0.044 176.937 176.870 0.185 0.000 1.197 302 L CA -0.740 54.221 54.840 0.201 0.000 0.838 302 L CB 0.224 42.318 42.059 0.059 0.000 1.474 302 L HN 0.511 nan 8.230 nan 0.000 0.514 303 V N -3.375 116.544 119.914 0.010 0.000 2.815 303 V HA 0.190 4.323 4.120 0.021 0.000 0.314 303 V C 0.631 176.687 176.094 -0.063 0.000 1.064 303 V CA -0.824 61.466 62.300 -0.016 0.000 0.952 303 V CB 1.592 33.385 31.823 -0.050 0.000 1.020 303 V HN 0.918 nan 8.190 nan 0.000 0.439 304 W N 2.058 123.238 121.300 -0.200 0.000 2.302 304 W HA -0.265 4.407 4.660 0.021 0.000 0.320 304 W C 1.824 178.198 176.519 -0.242 0.000 1.241 304 W CA 2.733 59.954 57.345 -0.207 0.000 1.264 304 W CB -0.124 29.196 29.460 -0.234 0.000 1.154 304 W HN 1.032 nan 8.180 nan 0.000 0.483 305 D N 0.099 120.239 120.400 -0.433 0.000 2.123 305 D HA -0.303 4.350 4.640 0.021 0.000 0.196 305 D C 2.142 178.111 176.300 -0.551 0.000 0.992 305 D CA 2.242 55.947 54.000 -0.491 0.000 0.833 305 D CB -0.542 40.203 40.800 -0.091 0.000 0.954 305 D HN 0.379 nan 8.370 nan 0.000 0.455 306 E N -0.409 119.354 120.200 -0.727 0.000 2.051 306 E HA -0.219 4.144 4.350 0.021 0.000 0.192 306 E C 2.038 178.295 176.600 -0.571 0.000 0.991 306 E CA 1.103 56.981 56.400 -0.869 0.000 0.799 306 E CB -0.252 28.795 29.700 -1.088 0.000 0.748 306 E HN 0.335 nan 8.360 nan 0.000 0.449 307 A N 1.087 123.601 122.820 -0.509 0.000 1.877 307 A HA -0.262 4.070 4.320 0.021 0.000 0.216 307 A C 2.177 179.414 177.584 -0.578 0.000 1.186 307 A CA 1.815 53.597 52.037 -0.425 0.000 0.620 307 A CB -0.722 18.153 19.000 -0.210 0.000 0.822 307 A HN 0.439 nan 8.150 nan 0.000 0.443 308 Q N -0.559 118.654 119.800 -0.979 0.000 2.084 308 Q HA -0.201 4.152 4.340 0.021 0.000 0.202 308 Q C 2.137 177.848 176.000 -0.481 0.000 0.978 308 Q CA 1.916 57.183 55.803 -0.893 0.000 0.844 308 Q CB -0.130 27.853 28.738 -1.258 0.000 0.898 308 Q HN 0.662 nan 8.270 nan 0.000 0.426 309 K N -0.130 120.014 120.400 -0.427 0.000 2.097 309 K HA -0.146 4.187 4.320 0.021 0.000 0.205 309 K C 1.982 178.433 176.600 -0.248 0.000 1.050 309 K CA 0.759 56.887 56.287 -0.265 0.000 0.938 309 K CB -0.062 32.318 32.500 -0.199 0.000 0.718 309 K HN 0.147 nan 8.250 nan 0.000 0.442 310 L N 1.187 122.219 121.223 -0.319 0.000 2.191 310 L HA -0.144 4.209 4.340 0.021 0.000 0.212 310 L C 2.169 178.892 176.870 -0.246 0.000 1.103 310 L CA 1.962 56.605 54.840 -0.328 0.000 0.769 310 L CB -0.833 40.939 42.059 -0.479 0.000 0.908 310 L HN 0.325 nan 8.230 nan 0.000 0.438 311 T N -4.654 109.767 114.554 -0.222 0.000 2.915 311 T HA -0.045 4.318 4.350 0.021 0.000 0.269 311 T C 1.874 176.506 174.700 -0.113 0.000 1.071 311 T CA 0.885 62.898 62.100 -0.145 0.000 1.132 311 T CB -0.892 67.906 68.868 -0.117 0.000 0.878 311 T HN 0.355 nan 8.240 nan 0.000 0.479 312 G N 1.452 110.178 108.800 -0.124 0.000 2.404 312 G HA2 -0.041 3.932 3.960 0.021 0.000 0.213 312 G HA3 -0.041 3.932 3.960 0.021 0.000 0.213 312 G C 1.884 176.734 174.900 -0.083 0.000 1.189 312 G CA -0.178 44.866 45.100 -0.093 0.000 0.796 312 G HN 0.308 nan 8.290 nan 0.000 0.532 313 R N 0.357 120.797 120.500 -0.099 0.000 2.148 313 R HA 0.041 4.394 4.340 0.021 0.000 0.223 313 R C -0.131 176.133 176.300 -0.059 0.000 1.088 313 R CA 0.811 56.865 56.100 -0.077 0.000 0.985 313 R CB -0.244 30.002 30.300 -0.091 0.000 0.880 313 R HN 0.383 nan 8.270 nan 0.000 0.451 314 D N -0.650 119.708 120.400 -0.070 0.000 2.445 314 D HA 0.123 4.775 4.640 0.021 0.000 0.236 314 D C -2.114 174.174 176.300 -0.019 0.000 1.315 314 D CA -1.550 52.438 54.000 -0.020 0.000 0.924 314 D CB 1.264 42.089 40.800 0.041 0.000 1.447 314 D HN -0.143 nan 8.370 nan 0.000 0.532 315 P HA -0.006 nan 4.420 nan 0.000 0.228 315 P C -0.010 177.292 177.300 0.003 0.000 1.151 315 P CA 0.679 63.763 63.100 -0.025 0.000 0.770 315 P CB 0.470 32.153 31.700 -0.028 0.000 0.786 316 D N -1.331 119.082 120.400 0.021 0.000 2.427 316 D HA 0.069 4.722 4.640 0.021 0.000 0.224 316 D C 1.226 177.565 176.300 0.065 0.000 1.157 316 D CA -0.448 53.571 54.000 0.032 0.000 0.828 316 D CB -0.533 40.265 40.800 -0.003 0.000 0.974 316 D HN 0.131 nan 8.370 nan 0.000 0.498 317 F N 1.411 121.293 119.950 -0.113 0.000 2.095 317 F HA -0.258 4.281 4.527 0.021 0.000 0.298 317 F C 2.079 177.826 175.800 -0.088 0.000 1.104 317 F CA 1.889 59.811 58.000 -0.130 0.000 1.232 317 F CB 0.036 38.905 39.000 -0.220 0.000 0.987 317 F HN 0.095 nan 8.300 nan 0.000 0.475 318 H N -1.172 117.824 119.070 -0.124 0.000 2.389 318 H HA -0.101 4.468 4.556 0.021 0.000 0.299 318 H C 2.394 177.625 175.328 -0.162 0.000 1.081 318 H CA 1.066 56.895 56.048 -0.364 0.000 1.345 318 H CB -0.134 29.219 29.762 -0.681 0.000 1.393 318 H HN 0.180 nan 8.280 nan 0.000 0.520 319 R N 1.081 121.674 120.500 0.153 0.000 2.073 319 R HA -0.135 4.218 4.340 0.021 0.000 0.234 319 R C 2.467 178.871 176.300 0.174 0.000 1.134 319 R CA 1.360 57.598 56.100 0.230 0.000 0.952 319 R CB -0.032 30.383 30.300 0.192 0.000 0.850 319 R HN 0.193 nan 8.270 nan 0.000 0.433 320 R N 0.343 120.877 120.500 0.057 0.000 2.073 320 R HA -0.158 4.195 4.340 0.021 0.000 0.234 320 R C 2.184 178.511 176.300 0.044 0.000 1.134 320 R CA 1.725 57.848 56.100 0.039 0.000 0.952 320 R CB -0.277 30.011 30.300 -0.019 0.000 0.850 320 R HN 0.270 nan 8.270 nan 0.000 0.433 321 E N 0.741 120.868 120.200 -0.122 0.000 2.085 321 E HA -0.216 4.147 4.350 0.021 0.000 0.194 321 E C 2.045 178.631 176.600 -0.023 0.000 0.994 321 E CA 1.237 57.532 56.400 -0.174 0.000 0.801 321 E CB -0.134 29.283 29.700 -0.471 0.000 0.743 321 E HN 0.269 nan 8.360 nan 0.000 0.453 322 L N 0.746 121.996 121.223 0.045 0.000 2.017 322 L HA -0.150 4.202 4.340 0.021 0.000 0.208 322 L C 2.303 179.281 176.870 0.180 0.000 1.073 322 L CA 1.858 56.770 54.840 0.120 0.000 0.745 322 L CB -0.806 41.384 42.059 0.218 0.000 0.894 322 L HN 0.303 nan 8.230 nan 0.000 0.432 323 W N 1.003 122.344 121.300 0.068 0.000 2.355 323 W HA -0.204 4.468 4.660 0.021 0.000 0.309 323 W C 2.183 178.738 176.519 0.059 0.000 1.206 323 W CA 2.196 59.591 57.345 0.084 0.000 1.284 323 W CB -0.181 29.331 29.460 0.086 0.000 1.145 323 W HN 0.352 nan 8.180 nan 0.000 0.502 324 E N 0.100 120.482 120.200 0.304 0.000 2.150 324 E HA -0.128 4.235 4.350 0.021 0.000 0.193 324 E C 2.366 179.000 176.600 0.057 0.000 0.985 324 E CA 1.036 57.539 56.400 0.172 0.000 0.814 324 E CB -0.382 29.378 29.700 0.101 0.000 0.752 324 E HN 0.192 nan 8.360 nan 0.000 0.466 325 A N 1.471 124.323 122.820 0.052 0.000 1.883 325 A HA -0.195 4.138 4.320 0.021 0.000 0.217 325 A C 2.184 179.789 177.584 0.035 0.000 1.186 325 A CA 1.188 53.248 52.037 0.038 0.000 0.624 325 A CB -0.596 18.426 19.000 0.036 0.000 0.822 325 A HN 0.137 nan 8.150 nan 0.000 0.444 326 I N -0.534 120.072 120.570 0.060 0.000 2.252 326 I HA -0.231 3.951 4.170 0.021 0.000 0.245 326 I C 2.388 178.560 176.117 0.091 0.000 1.102 326 I CA 1.477 62.857 61.300 0.133 0.000 1.385 326 I CB -0.437 37.577 38.000 0.022 0.000 1.064 326 I HN 0.421 nan 8.210 nan 0.000 0.414 327 E N 0.810 121.010 120.200 -0.000 0.000 2.268 327 E HA -0.134 4.229 4.350 0.021 0.000 0.195 327 E C 2.104 178.715 176.600 0.018 0.000 0.995 327 E CA 1.021 57.437 56.400 0.026 0.000 0.836 327 E CB -0.045 29.695 29.700 0.068 0.000 0.763 327 E HN 0.500 nan 8.360 nan 0.000 0.491 328 A N 0.098 122.907 122.820 -0.019 0.000 2.178 328 A HA 0.254 4.587 4.320 0.021 0.000 0.211 328 A C 1.774 179.301 177.584 -0.095 0.000 1.157 328 A CA 0.877 52.887 52.037 -0.045 0.000 0.780 328 A CB 0.034 18.993 19.000 -0.067 0.000 0.828 328 A HN 0.320 nan 8.150 nan 0.000 0.476 329 G N -0.400 108.265 108.800 -0.226 0.000 2.159 329 G HA2 -0.173 3.799 3.960 0.021 0.000 0.227 329 G HA3 -0.173 3.799 3.960 0.021 0.000 0.227 329 G C -0.367 174.041 174.900 -0.820 0.000 0.986 329 G CA 0.159 44.857 45.100 -0.671 0.000 0.651 329 G HN 0.436 nan 8.290 nan 0.000 0.523 330 D N 1.183 121.349 120.400 -0.390 0.000 2.713 330 D HA 0.312 4.964 4.640 0.021 0.000 0.229 330 D C 0.639 176.838 176.300 -0.168 0.000 1.136 330 D CA -0.175 53.680 54.000 -0.241 0.000 1.010 330 D CB -0.646 40.123 40.800 -0.053 0.000 1.084 330 D HN 0.398 nan 8.370 nan 0.000 0.495 331 F N 1.365 121.317 119.950 0.003 0.000 2.578 331 F HA 0.115 4.655 4.527 0.021 0.000 0.381 331 F C -1.416 174.356 175.800 -0.046 0.000 1.069 331 F CA -1.988 56.007 58.000 -0.008 0.000 1.231 331 F CB -0.092 38.915 39.000 0.012 0.000 1.086 331 F HN -0.082 nan 8.300 nan 0.000 0.564 332 P HA -0.030 nan 4.420 nan 0.000 0.260 332 P C -0.932 176.301 177.300 -0.112 0.000 1.185 332 P CA 0.542 63.622 63.100 -0.034 0.000 0.763 332 P CB 0.360 32.133 31.700 0.120 0.000 0.776 333 E N 2.850 122.853 120.200 -0.328 0.000 2.210 333 E HA 0.416 4.778 4.350 0.021 0.000 0.266 333 E C -0.981 175.371 176.600 -0.415 0.000 0.883 333 E CA -0.589 55.685 56.400 -0.210 0.000 0.761 333 E CB 1.467 31.133 29.700 -0.057 0.000 1.156 333 E HN 0.384 nan 8.360 nan 0.000 0.412 334 Y N 0.340 120.702 120.300 0.103 0.000 2.457 334 Y HA 0.218 4.781 4.550 0.021 0.000 0.343 334 Y C -0.169 175.946 175.900 0.358 0.000 0.994 334 Y CA -0.979 57.245 58.100 0.207 0.000 1.031 334 Y CB 1.975 40.511 38.460 0.125 0.000 1.246 334 Y HN 0.468 nan 8.280 nan 0.000 0.449 335 E N 3.046 123.571 120.200 0.541 0.000 2.115 335 E HA 0.349 4.712 4.350 0.021 0.000 0.282 335 E C -1.371 175.530 176.600 0.501 0.000 0.987 335 E CA -0.945 55.737 56.400 0.470 0.000 0.797 335 E CB 0.865 30.774 29.700 0.348 0.000 1.086 335 E HN 0.598 nan 8.360 nan 0.000 0.397 336 L N 4.728 126.200 121.223 0.414 0.000 2.410 336 L HA 0.418 4.771 4.340 0.021 0.000 0.273 336 L C -0.043 176.778 176.870 -0.080 0.000 1.144 336 L CA 0.741 55.527 54.840 -0.091 0.000 0.863 336 L CB 0.762 42.721 42.059 -0.167 0.000 1.140 336 L HN 0.580 nan 8.230 nan 0.000 0.463 337 G N 4.785 113.563 108.800 -0.037 0.000 2.563 337 G HA2 0.537 4.510 3.960 0.021 0.000 0.302 337 G HA3 0.537 4.510 3.960 0.021 0.000 0.302 337 G C -1.508 173.563 174.900 0.285 0.000 1.301 337 G CA -0.565 44.552 45.100 0.028 0.000 0.965 337 G HN 0.461 nan 8.290 nan 0.000 0.480 338 F N 0.367 120.342 119.950 0.043 0.000 2.458 338 F HA 0.377 4.916 4.527 0.021 0.000 0.336 338 F C 0.396 176.204 175.800 0.013 0.000 1.114 338 F CA -0.959 57.070 58.000 0.048 0.000 0.987 338 F CB 2.370 41.383 39.000 0.022 0.000 1.130 338 F HN 0.134 nan 8.300 nan 0.000 0.458 339 Q N 4.510 124.434 119.800 0.205 0.000 2.303 339 Q HA 0.493 4.846 4.340 0.021 0.000 0.257 339 Q C -1.011 175.037 176.000 0.080 0.000 0.941 339 Q CA -0.482 55.391 55.803 0.117 0.000 0.931 339 Q CB 2.311 31.123 28.738 0.123 0.000 1.215 339 Q HN 0.558 nan 8.270 nan 0.000 0.437 340 L N 4.250 125.529 121.223 0.094 0.000 2.322 340 L HA 0.589 4.942 4.340 0.021 0.000 0.281 340 L C -0.527 176.406 176.870 0.105 0.000 1.014 340 L CA -0.593 54.291 54.840 0.073 0.000 0.815 340 L CB 1.262 43.371 42.059 0.083 0.000 1.247 340 L HN 0.527 nan 8.230 nan 0.000 0.421 341 I N 4.324 124.973 120.570 0.131 0.000 2.468 341 I HA 0.314 4.497 4.170 0.021 0.000 0.284 341 I C -2.348 173.898 176.117 0.215 0.000 1.038 341 I CA -1.968 59.454 61.300 0.203 0.000 1.083 341 I CB 2.238 40.384 38.000 0.245 0.000 1.223 341 I HN 0.250 nan 8.210 nan 0.000 0.443 342 P HA -0.002 nan 4.420 nan 0.000 0.267 342 P C 0.792 178.174 177.300 0.138 0.000 1.200 342 P CA 0.140 63.285 63.100 0.076 0.000 0.772 342 P CB 0.903 32.637 31.700 0.057 0.000 0.855 343 E N 1.413 121.620 120.200 0.012 0.000 2.097 343 E HA -0.288 4.074 4.350 0.021 0.000 0.196 343 E C 1.037 177.747 176.600 0.183 0.000 1.000 343 E CA 1.548 57.979 56.400 0.051 0.000 0.804 343 E CB 0.028 29.674 29.700 -0.090 0.000 0.740 343 E HN 0.446 nan 8.360 nan 0.000 0.454 344 E N 0.588 120.861 120.200 0.121 0.000 2.338 344 E HA -0.134 4.229 4.350 0.021 0.000 0.197 344 E C 0.807 177.478 176.600 0.118 0.000 1.007 344 E CA 1.017 57.489 56.400 0.120 0.000 0.849 344 E CB 0.001 29.745 29.700 0.073 0.000 0.774 344 E HN 0.282 nan 8.360 nan 0.000 0.506 345 D N 0.146 120.614 120.400 0.113 0.000 2.340 345 D HA -0.023 4.630 4.640 0.021 0.000 0.217 345 D C 1.315 177.650 176.300 0.058 0.000 1.081 345 D CA 0.087 54.119 54.000 0.053 0.000 0.842 345 D CB -0.004 40.814 40.800 0.030 0.000 0.934 345 D HN 0.325 nan 8.370 nan 0.000 0.511 346 E N 0.207 120.435 120.200 0.046 0.000 2.108 346 E HA -0.240 4.123 4.350 0.021 0.000 0.203 346 E C 0.490 176.856 176.600 -0.389 0.000 1.022 346 E CA 1.302 57.544 56.400 -0.263 0.000 0.823 346 E CB -0.095 29.274 29.700 -0.551 0.000 0.744 346 E HN 0.268 nan 8.360 nan 0.000 0.456 347 F N -0.071 119.893 119.950 0.022 0.000 2.645 347 F HA 0.241 4.780 4.527 0.021 0.000 0.300 347 F C 1.175 176.917 175.800 -0.097 0.000 1.115 347 F CA -0.002 57.988 58.000 -0.016 0.000 1.355 347 F CB 0.451 39.443 39.000 -0.014 0.000 1.026 347 F HN -0.168 nan 8.300 nan 0.000 0.536 348 K N 0.187 120.505 120.400 -0.137 0.000 2.504 348 K HA 0.163 4.496 4.320 0.021 0.000 0.199 348 K C -0.455 175.720 176.600 -0.708 0.000 1.028 348 K CA 0.153 56.198 56.287 -0.403 0.000 1.164 348 K CB 0.084 32.297 32.500 -0.479 0.000 0.877 348 K HN 0.166 nan 8.250 nan 0.000 0.508 349 F N -0.677 119.113 119.950 -0.267 0.000 2.613 349 F HA 0.193 4.733 4.527 0.022 0.000 0.342 349 F C 1.291 176.852 175.800 -0.398 0.000 1.066 349 F CA -1.067 56.653 58.000 -0.467 0.000 1.002 349 F CB 0.779 39.110 39.000 -1.116 0.000 1.319 349 F HN -0.212 nan 8.300 nan 0.000 0.495 350 D N 0.079 120.395 120.400 -0.141 0.000 2.277 350 D HA 0.004 4.657 4.640 0.021 0.000 0.208 350 D C -0.187 176.138 176.300 0.042 0.000 0.962 350 D CA 1.146 55.158 54.000 0.020 0.000 0.865 350 D CB -0.041 40.889 40.800 0.217 0.000 0.939 350 D HN 0.227 nan 8.370 nan 0.000 0.510 351 F N -0.835 119.186 119.950 0.119 0.000 2.598 351 F HA 0.459 4.998 4.527 0.021 0.000 0.327 351 F C 0.011 175.768 175.800 -0.073 0.000 1.057 351 F CA -1.658 56.324 58.000 -0.031 0.000 0.957 351 F CB 0.640 39.581 39.000 -0.098 0.000 1.278 351 F HN -0.397 nan 8.300 nan 0.000 0.484 352 D N 1.842 122.239 120.400 -0.005 0.000 2.348 352 D HA 0.104 4.757 4.640 0.021 0.000 0.253 352 D C 1.052 177.283 176.300 -0.115 0.000 1.161 352 D CA 0.019 53.953 54.000 -0.109 0.000 0.876 352 D CB 1.404 42.096 40.800 -0.180 0.000 1.160 352 D HN 0.725 nan 8.370 nan 0.000 0.459 353 L N 3.728 124.833 121.223 -0.195 0.000 2.127 353 L HA -0.156 4.197 4.340 0.021 0.000 0.211 353 L C 1.884 178.610 176.870 -0.239 0.000 1.089 353 L CA 0.935 55.630 54.840 -0.242 0.000 0.757 353 L CB 0.023 41.814 42.059 -0.446 0.000 0.899 353 L HN 0.537 nan 8.230 nan 0.000 0.434 354 L N -0.894 120.205 121.223 -0.207 0.000 2.591 354 L HA 0.032 4.385 4.340 0.021 0.000 0.228 354 L C 0.333 177.138 176.870 -0.110 0.000 1.133 354 L CA -0.167 54.618 54.840 -0.092 0.000 0.880 354 L CB -0.301 41.787 42.059 0.049 0.000 1.033 354 L HN 0.106 nan 8.230 nan 0.000 0.450 355 D N 1.831 121.933 120.400 -0.497 0.000 2.347 355 D HA 0.115 4.768 4.640 0.021 0.000 0.235 355 D C -1.540 174.555 176.300 -0.342 0.000 1.149 355 D CA -2.349 51.157 54.000 -0.824 0.000 0.850 355 D CB 1.572 41.523 40.800 -1.417 0.000 1.061 355 D HN -0.078 nan 8.370 nan 0.000 0.487 356 P HA -0.053 nan 4.420 nan 0.000 0.242 356 P C 0.801 178.014 177.300 -0.145 0.000 1.197 356 P CA 0.616 63.657 63.100 -0.098 0.000 0.765 356 P CB 0.007 31.734 31.700 0.044 0.000 0.936 357 T N -4.491 109.970 114.554 -0.155 0.000 3.107 357 T HA 0.141 4.504 4.350 0.021 0.000 0.249 357 T C 0.775 175.376 174.700 -0.165 0.000 1.096 357 T CA -0.053 61.964 62.100 -0.138 0.000 1.012 357 T CB -0.157 68.677 68.868 -0.057 0.000 0.977 357 T HN -0.131 nan 8.240 nan 0.000 0.527 358 K N 2.345 122.547 120.400 -0.331 0.000 2.206 358 K HA 0.553 4.886 4.320 0.021 0.000 0.264 358 K C -0.273 176.087 176.600 -0.401 0.000 0.967 358 K CA -0.846 55.099 56.287 -0.571 0.000 0.844 358 K CB 1.958 34.006 32.500 -0.753 0.000 1.099 358 K HN 0.315 nan 8.250 nan 0.000 0.441 359 L N -0.065 121.065 121.223 -0.155 0.000 2.387 359 L HA 0.641 4.994 4.340 0.021 0.000 0.266 359 L C 0.016 176.668 176.870 -0.363 0.000 1.059 359 L CA -0.458 54.270 54.840 -0.187 0.000 0.801 359 L CB 0.340 42.389 42.059 -0.016 0.000 1.223 359 L HN 0.434 nan 8.230 nan 0.000 0.456 360 I N 1.573 122.034 120.570 -0.182 0.000 2.330 360 I HA 0.364 4.547 4.170 0.021 0.000 0.286 360 I C -2.145 174.004 176.117 0.053 0.000 1.025 360 I CA -1.710 59.546 61.300 -0.072 0.000 1.197 360 I CB 1.280 39.267 38.000 -0.021 0.000 1.358 360 I HN 0.454 nan 8.210 nan 0.000 0.467 361 P HA 0.051 nan 4.420 nan 0.000 0.267 361 P C 0.239 177.621 177.300 0.136 0.000 1.205 361 P CA 0.033 63.197 63.100 0.107 0.000 0.765 361 P CB 0.551 32.309 31.700 0.096 0.000 0.828 362 E N 1.848 122.127 120.200 0.132 0.000 2.333 362 E HA -0.180 4.183 4.350 0.021 0.000 0.198 362 E C 1.196 177.854 176.600 0.097 0.000 1.007 362 E CA 0.723 57.187 56.400 0.106 0.000 0.845 362 E CB -0.030 29.727 29.700 0.095 0.000 0.766 362 E HN 0.524 nan 8.360 nan 0.000 0.507 363 E N 0.210 120.469 120.200 0.097 0.000 2.347 363 E HA -0.073 4.290 4.350 0.021 0.000 0.196 363 E C 1.869 178.531 176.600 0.104 0.000 1.008 363 E CA 0.539 56.991 56.400 0.085 0.000 0.852 363 E CB 0.254 29.996 29.700 0.070 0.000 0.783 363 E HN 0.377 nan 8.360 nan 0.000 0.505 364 L N -0.552 120.758 121.223 0.144 0.000 2.269 364 L HA 0.102 4.454 4.340 0.021 0.000 0.200 364 L C 0.621 177.604 176.870 0.188 0.000 1.069 364 L CA 0.439 55.393 54.840 0.190 0.000 0.804 364 L CB 0.524 42.766 42.059 0.305 0.000 0.987 364 L HN -0.217 nan 8.230 nan 0.000 0.468 365 V N 1.980 122.003 119.914 0.181 0.000 2.398 365 V HA 0.310 4.443 4.120 0.021 0.000 0.282 365 V C -2.329 173.825 176.094 0.100 0.000 1.014 365 V CA -1.450 60.944 62.300 0.156 0.000 0.838 365 V CB 1.471 33.408 31.823 0.189 0.000 1.018 365 V HN 0.001 nan 8.190 nan 0.000 0.432 366 P HA 0.167 nan 4.420 nan 0.000 0.272 366 P C -0.292 177.016 177.300 0.014 0.000 1.230 366 P CA -0.000 63.126 63.100 0.043 0.000 0.788 366 P CB 1.304 33.032 31.700 0.046 0.000 0.949 367 V N 3.366 123.254 119.914 -0.043 0.000 2.455 367 V HA 0.072 4.205 4.120 0.021 0.000 0.273 367 V C 0.816 176.909 176.094 -0.002 0.000 1.045 367 V CA 0.066 62.311 62.300 -0.091 0.000 0.976 367 V CB 0.118 31.795 31.823 -0.243 0.000 0.993 367 V HN 0.474 nan 8.190 nan 0.000 0.475 368 Q N 4.878 124.703 119.800 0.040 0.000 2.274 368 Q HA 0.422 4.775 4.340 0.021 0.000 0.256 368 Q C -0.237 175.769 176.000 0.010 0.000 0.927 368 Q CA -0.564 55.263 55.803 0.039 0.000 0.939 368 Q CB 1.577 30.351 28.738 0.060 0.000 1.201 368 Q HN 0.600 nan 8.270 nan 0.000 0.426 369 R N 1.253 121.782 120.500 0.049 0.000 2.570 369 R HA 0.032 4.384 4.340 0.021 0.000 0.277 369 R C 0.341 176.663 176.300 0.037 0.000 1.039 369 R CA -0.006 56.163 56.100 0.116 0.000 1.065 369 R CB 0.489 30.928 30.300 0.232 0.000 0.964 369 R HN 0.460 nan 8.270 nan 0.000 0.428 370 V N 1.036 120.872 119.914 -0.131 0.000 3.137 370 V HA 0.319 4.452 4.120 0.021 0.000 0.236 370 V C 0.730 176.529 176.094 -0.492 0.000 1.260 370 V CA 0.939 63.026 62.300 -0.356 0.000 1.244 370 V CB 1.052 32.407 31.823 -0.780 0.000 1.016 370 V HN 1.001 nan 8.190 nan 0.000 0.477 371 G N -0.374 108.037 108.800 -0.648 0.000 2.488 371 G HA2 0.520 4.492 3.960 0.021 0.000 0.301 371 G HA3 0.520 4.492 3.960 0.021 0.000 0.301 371 G C -1.914 172.664 174.900 -0.536 0.000 1.339 371 G CA -0.493 44.021 45.100 -0.978 0.000 0.803 371 G HN 0.029 nan 8.290 nan 0.000 0.482 372 K N -0.395 119.745 120.400 -0.434 0.000 2.371 372 K HA 0.708 5.041 4.320 0.021 0.000 0.251 372 K C -1.123 175.533 176.600 0.093 0.000 0.934 372 K CA -0.813 55.487 56.287 0.021 0.000 0.798 372 K CB 2.146 34.691 32.500 0.075 0.000 1.204 372 K HN 0.578 nan 8.250 nan 0.000 0.427 373 M N 4.593 124.342 119.600 0.248 0.000 2.243 373 M HA 0.373 4.866 4.480 0.021 0.000 0.324 373 M C -1.767 174.500 176.300 -0.056 0.000 1.031 373 M CA -0.733 54.650 55.300 0.138 0.000 0.949 373 M CB 1.655 34.342 32.600 0.145 0.000 1.615 373 M HN 0.306 nan 8.290 nan 0.000 0.430 374 V N 5.576 125.293 119.914 -0.328 0.000 2.495 374 V HA 0.480 4.613 4.120 0.021 0.000 0.298 374 V C -0.899 175.099 176.094 -0.160 0.000 1.031 374 V CA -0.825 61.331 62.300 -0.241 0.000 0.871 374 V CB 1.763 33.373 31.823 -0.355 0.000 0.988 374 V HN 0.678 nan 8.190 nan 0.000 0.432 375 L N 5.707 126.911 121.223 -0.031 0.000 2.283 375 L HA 0.486 4.838 4.340 0.021 0.000 0.281 375 L C 0.568 177.366 176.870 -0.120 0.000 1.033 375 L CA 0.053 54.872 54.840 -0.036 0.000 0.848 375 L CB 0.915 42.998 42.059 0.041 0.000 1.226 375 L HN 0.857 nan 8.230 nan 0.000 0.429 376 N N 2.369 120.876 118.700 -0.320 0.000 2.238 376 N HA 0.185 4.938 4.740 0.021 0.000 0.235 376 N C 0.010 175.293 175.510 -0.377 0.000 1.209 376 N CA -0.271 52.286 53.050 -0.822 0.000 0.879 376 N CB 0.630 38.283 38.487 -1.389 0.000 1.136 376 N HN 0.369 nan 8.380 nan 0.000 0.517 377 R N 0.107 120.521 120.500 -0.144 0.000 2.536 377 R HA 0.289 4.642 4.340 0.021 0.000 0.269 377 R C -1.293 174.966 176.300 -0.068 0.000 1.113 377 R CA -0.558 55.487 56.100 -0.092 0.000 0.948 377 R CB 1.234 31.494 30.300 -0.067 0.000 1.237 377 R HN 0.067 nan 8.270 nan 0.000 0.441 378 N N 2.713 121.261 118.700 -0.253 0.000 2.424 378 N HA 0.304 5.056 4.740 0.021 0.000 0.257 378 N C -2.353 173.130 175.510 -0.046 0.000 1.250 378 N CA -1.338 51.448 53.050 -0.440 0.000 0.946 378 N CB 0.579 38.141 38.487 -1.543 0.000 1.175 378 N HN 0.278 nan 8.380 nan 0.000 0.477 379 P HA 0.105 nan 4.420 nan 0.000 0.272 379 P C 0.228 177.733 177.300 0.342 0.000 1.254 379 P CA -0.060 63.259 63.100 0.365 0.000 0.795 379 P CB 0.811 32.773 31.700 0.438 0.000 1.022 380 D N -1.286 119.289 120.400 0.291 0.000 2.338 380 D HA 0.003 4.656 4.640 0.021 0.000 0.224 380 D C 0.227 176.703 176.300 0.292 0.000 0.967 380 D CA 1.191 55.349 54.000 0.264 0.000 0.896 380 D CB 0.182 41.076 40.800 0.156 0.000 1.028 380 D HN 0.334 nan 8.370 nan 0.000 0.493 381 N N 0.079 118.945 118.700 0.276 0.000 2.504 381 N HA 0.008 4.761 4.740 0.021 0.000 0.280 381 N C 0.080 175.786 175.510 0.328 0.000 1.052 381 N CA -0.315 52.906 53.050 0.284 0.000 0.887 381 N CB 1.343 39.964 38.487 0.224 0.000 1.323 381 N HN -0.177 nan 8.380 nan 0.000 0.509 382 F N 4.259 124.346 119.950 0.228 0.000 2.091 382 F HA -0.220 4.319 4.527 0.020 0.000 0.299 382 F C 1.598 177.498 175.800 0.166 0.000 1.103 382 F CA 1.690 59.817 58.000 0.211 0.000 1.228 382 F CB -0.134 38.965 39.000 0.166 0.000 0.984 382 F HN 0.594 nan 8.300 nan 0.000 0.477 383 F N 0.705 120.869 119.950 0.357 0.000 2.026 383 F HA -0.172 4.368 4.527 0.023 0.000 0.296 383 F C 2.450 178.300 175.800 0.083 0.000 1.133 383 F CA 1.999 60.127 58.000 0.214 0.000 1.188 383 F CB -1.131 37.979 39.000 0.184 0.000 0.968 383 F HN 0.000 nan 8.300 nan 0.000 0.476 384 A N -0.338 122.638 122.820 0.260 0.000 1.917 384 A HA -0.255 4.078 4.320 0.021 0.000 0.219 384 A C 2.063 179.598 177.584 -0.082 0.000 1.182 384 A CA 2.376 54.474 52.037 0.103 0.000 0.633 384 A CB -0.830 18.258 19.000 0.146 0.000 0.819 384 A HN 0.651 nan 8.150 nan 0.000 0.448 385 E N -1.770 118.385 120.200 -0.075 0.000 2.175 385 E HA -0.053 4.310 4.350 0.021 0.000 0.195 385 E C 2.031 178.544 176.600 -0.145 0.000 0.934 385 E CA 0.375 56.678 56.400 -0.162 0.000 0.870 385 E CB -0.161 29.512 29.700 -0.045 0.000 0.838 385 E HN 0.577 nan 8.360 nan 0.000 0.474 386 N N 1.561 120.177 118.700 -0.140 0.000 2.124 386 N HA -0.176 4.577 4.740 0.021 0.000 0.189 386 N C 1.845 177.158 175.510 -0.328 0.000 1.050 386 N CA 1.480 54.385 53.050 -0.241 0.000 0.848 386 N CB -0.005 37.986 38.487 -0.827 0.000 1.027 386 N HN -0.048 nan 8.380 nan 0.000 0.435 387 E N 0.589 120.501 120.200 -0.481 0.000 2.160 387 E HA -0.126 4.237 4.350 0.021 0.000 0.195 387 E C 1.572 177.934 176.600 -0.398 0.000 0.991 387 E CA 1.448 57.614 56.400 -0.390 0.000 0.810 387 E CB -0.085 29.383 29.700 -0.385 0.000 0.742 387 E HN 0.511 nan 8.360 nan 0.000 0.466 388 Q N -0.372 119.159 119.800 -0.448 0.000 2.360 388 Q HA 0.264 4.616 4.340 0.021 0.000 0.202 388 Q C -0.114 175.760 176.000 -0.211 0.000 0.915 388 Q CA 0.140 55.750 55.803 -0.321 0.000 0.943 388 Q CB 0.671 29.228 28.738 -0.301 0.000 1.064 388 Q HN 0.216 nan 8.270 nan 0.000 0.511 389 A N 1.177 123.885 122.820 -0.187 0.000 2.477 389 A HA 0.501 4.834 4.320 0.021 0.000 0.246 389 A C -0.173 177.290 177.584 -0.202 0.000 1.078 389 A CA 0.084 51.996 52.037 -0.209 0.000 0.770 389 A CB 0.286 19.239 19.000 -0.079 0.000 1.011 389 A HN 0.267 nan 8.150 nan 0.000 0.494 390 A N 2.501 125.158 122.820 -0.273 0.000 2.332 390 A HA 0.710 5.043 4.320 0.021 0.000 0.300 390 A C -0.743 176.738 177.584 -0.171 0.000 1.153 390 A CA -0.440 51.514 52.037 -0.137 0.000 0.764 390 A CB 0.342 19.304 19.000 -0.063 0.000 1.174 390 A HN 0.654 nan 8.150 nan 0.000 0.467 391 F N 1.511 121.472 119.950 0.018 0.000 2.470 391 F HA 0.648 5.188 4.527 0.022 0.000 0.329 391 F C 0.445 176.179 175.800 -0.110 0.000 1.072 391 F CA -0.344 57.640 58.000 -0.026 0.000 0.989 391 F CB 1.736 40.687 39.000 -0.083 0.000 1.193 391 F HN 0.647 nan 8.300 nan 0.000 0.481 392 H N 3.361 122.268 119.070 -0.272 0.000 3.017 392 H HA 0.272 4.841 4.556 0.022 0.000 0.340 392 H C -2.351 172.652 175.328 -0.542 0.000 1.014 392 H CA -2.799 52.841 56.048 -0.681 0.000 1.341 392 H CB 2.624 31.745 29.762 -1.068 0.000 1.739 392 H HN 0.190 nan 8.280 nan 0.000 0.506 393 P HA -0.042 nan 4.420 nan 0.000 0.225 393 P C 1.113 178.434 177.300 0.036 0.000 1.148 393 P CA 1.233 64.285 63.100 -0.079 0.000 0.779 393 P CB 0.116 31.775 31.700 -0.068 0.000 0.780 394 G N -1.427 107.170 108.800 -0.338 0.000 2.813 394 G HA2 -0.106 3.867 3.960 0.021 0.000 0.209 394 G HA3 -0.106 3.867 3.960 0.021 0.000 0.209 394 G C 0.397 175.202 174.900 -0.159 0.000 1.150 394 G CA -0.083 44.817 45.100 -0.333 0.000 0.785 394 G HN 0.418 nan 8.290 nan 0.000 0.535 395 H N 0.856 119.783 119.070 -0.238 0.000 3.092 395 H HA 0.330 4.898 4.556 0.021 0.000 0.263 395 H C 0.381 175.748 175.328 0.066 0.000 1.611 395 H CA -0.710 55.278 56.048 -0.101 0.000 1.457 395 H CB -0.090 29.632 29.762 -0.066 0.000 1.731 395 H HN 0.355 nan 8.280 nan 0.000 0.532 396 I N -0.321 120.319 120.570 0.118 0.000 2.982 396 I HA 0.644 4.827 4.170 0.021 0.000 0.312 396 I C -0.073 176.011 176.117 -0.055 0.000 1.041 396 I CA -1.439 59.887 61.300 0.044 0.000 1.053 396 I CB 1.907 39.834 38.000 -0.122 0.000 1.248 396 I HN 0.091 nan 8.210 nan 0.000 0.471 397 V N -0.891 118.980 119.914 -0.072 0.000 3.046 397 V HA 0.684 4.817 4.120 0.021 0.000 0.316 397 V C -2.762 173.405 176.094 0.121 0.000 1.104 397 V CA -2.647 59.666 62.300 0.022 0.000 1.006 397 V CB 0.976 32.800 31.823 0.002 0.000 1.058 397 V HN 0.647 nan 8.190 nan 0.000 0.440 398 P HA 0.354 nan 4.420 nan 0.000 0.261 398 P C 0.878 178.174 177.300 -0.007 0.000 1.183 398 P CA 1.775 64.942 63.100 0.112 0.000 0.761 398 P CB 0.552 32.302 31.700 0.083 0.000 0.785 399 G N 1.910 110.663 108.800 -0.078 0.000 2.284 399 G HA2 -0.138 3.835 3.960 0.021 0.000 0.201 399 G HA3 -0.138 3.835 3.960 0.021 0.000 0.201 399 G C -0.293 174.520 174.900 -0.146 0.000 0.998 399 G CA -0.462 44.571 45.100 -0.112 0.000 0.651 399 G HN 0.448 nan 8.290 nan 0.000 0.489 400 L N 0.239 121.385 121.223 -0.129 0.000 2.301 400 L HA 0.922 5.275 4.340 0.021 0.000 0.264 400 L C -0.657 176.141 176.870 -0.120 0.000 1.016 400 L CA -1.036 53.708 54.840 -0.160 0.000 0.821 400 L CB 2.129 44.023 42.059 -0.274 0.000 1.346 400 L HN 0.101 nan 8.230 nan 0.000 0.429 401 D N -0.767 119.553 120.400 -0.133 0.000 2.653 401 D HA 0.400 5.053 4.640 0.021 0.000 0.258 401 D C -1.057 175.179 176.300 -0.107 0.000 1.252 401 D CA -0.384 53.491 54.000 -0.208 0.000 0.777 401 D CB 1.778 42.531 40.800 -0.077 0.000 1.339 401 D HN 0.104 nan 8.370 nan 0.000 0.422 402 F N -0.052 120.019 119.950 0.201 0.000 2.234 402 F HA 0.515 5.055 4.527 0.021 0.000 0.292 402 F C 1.643 177.461 175.800 0.029 0.000 1.187 402 F CA -0.067 57.982 58.000 0.082 0.000 1.128 402 F CB 0.578 39.597 39.000 0.031 0.000 1.507 402 F HN 0.259 nan 8.300 nan 0.000 0.512 403 T N -3.478 111.175 114.554 0.165 0.000 2.696 403 T HA 0.306 4.669 4.350 0.021 0.000 0.291 403 T C -0.242 174.492 174.700 0.057 0.000 1.095 403 T CA -0.983 61.191 62.100 0.122 0.000 1.026 403 T CB 1.175 70.087 68.868 0.073 0.000 1.390 403 T HN 0.316 nan 8.240 nan 0.000 0.513 404 N N 1.080 119.813 118.700 0.056 0.000 2.322 404 N HA 0.091 4.844 4.740 0.021 0.000 0.194 404 N C -0.016 175.495 175.510 0.003 0.000 1.126 404 N CA -0.001 53.066 53.050 0.028 0.000 0.845 404 N CB -0.334 38.186 38.487 0.055 0.000 0.976 404 N HN 0.695 nan 8.380 nan 0.000 0.475 405 D N 2.342 122.729 120.400 -0.023 0.000 2.662 405 D HA -0.088 4.565 4.640 0.021 0.000 0.233 405 D C -1.363 174.919 176.300 -0.029 0.000 1.129 405 D CA -0.809 53.197 54.000 0.011 0.000 0.851 405 D CB 1.332 42.079 40.800 -0.087 0.000 1.152 405 D HN 0.136 nan 8.370 nan 0.000 0.507 406 P HA -0.113 nan 4.420 nan 0.000 0.223 406 P C 1.543 178.846 177.300 0.005 0.000 1.151 406 P CA 0.242 63.342 63.100 -0.001 0.000 0.787 406 P CB 0.347 32.029 31.700 -0.029 0.000 0.788 407 L N -0.477 120.773 121.223 0.044 0.000 2.102 407 L HA 0.022 4.375 4.340 0.021 0.000 0.202 407 L C 2.362 179.177 176.870 -0.091 0.000 1.076 407 L CA 1.258 56.133 54.840 0.058 0.000 0.761 407 L CB -1.560 40.619 42.059 0.200 0.000 0.921 407 L HN -0.180 nan 8.230 nan 0.000 0.444 408 L N -0.531 120.454 121.223 -0.397 0.000 2.012 408 L HA -0.220 4.133 4.340 0.021 0.000 0.210 408 L C 2.468 179.116 176.870 -0.369 0.000 1.073 408 L CA 1.801 56.199 54.840 -0.736 0.000 0.748 408 L CB -0.882 40.420 42.059 -1.262 0.000 0.891 408 L HN 0.366 nan 8.230 nan 0.000 0.431 409 Q N -0.156 119.480 119.800 -0.273 0.000 2.077 409 Q HA -0.174 4.178 4.340 0.021 0.000 0.206 409 Q C 2.085 178.018 176.000 -0.113 0.000 0.989 409 Q CA 1.864 57.551 55.803 -0.193 0.000 0.853 409 Q CB -0.812 27.854 28.738 -0.120 0.000 0.907 409 Q HN 0.714 nan 8.270 nan 0.000 0.418 410 G N 0.333 109.095 108.800 -0.063 0.000 2.484 410 G HA2 -0.200 3.773 3.960 0.021 0.000 0.218 410 G HA3 -0.200 3.773 3.960 0.021 0.000 0.218 410 G C 1.486 176.411 174.900 0.042 0.000 1.130 410 G CA 0.091 45.192 45.100 0.002 0.000 0.784 410 G HN 0.244 nan 8.290 nan 0.000 0.543 411 R N -0.188 120.305 120.500 -0.012 0.000 2.115 411 R HA 0.109 4.462 4.340 0.021 0.000 0.230 411 R C 2.411 178.815 176.300 0.173 0.000 1.111 411 R CA 0.513 56.666 56.100 0.088 0.000 0.976 411 R CB -0.367 29.990 30.300 0.095 0.000 0.870 411 R HN 0.325 nan 8.270 nan 0.000 0.445 412 L N -0.331 120.912 121.223 0.035 0.000 2.127 412 L HA -0.213 4.140 4.340 0.021 0.000 0.211 412 L C 2.195 179.173 176.870 0.179 0.000 1.089 412 L CA 1.205 56.062 54.840 0.029 0.000 0.757 412 L CB -0.404 41.516 42.059 -0.232 0.000 0.899 412 L HN 0.179 nan 8.230 nan 0.000 0.434 413 F N -0.067 119.902 119.950 0.032 0.000 2.293 413 F HA -0.052 4.488 4.527 0.021 0.000 0.297 413 F C 2.144 177.960 175.800 0.026 0.000 1.089 413 F CA 0.616 58.637 58.000 0.035 0.000 1.377 413 F CB 0.057 39.058 39.000 0.001 0.000 1.051 413 F HN -0.034 nan 8.300 nan 0.000 0.511 414 S N -1.509 114.157 115.700 -0.058 0.000 2.298 414 S HA 0.226 4.709 4.470 0.021 0.000 0.245 414 S C 0.473 174.887 174.600 -0.310 0.000 1.230 414 S CA 0.395 58.435 58.200 -0.266 0.000 1.009 414 S CB -0.173 62.893 63.200 -0.222 0.000 1.019 414 S HN 0.487 nan 8.310 nan 0.000 0.459 415 Y N -0.791 119.275 120.300 -0.391 0.000 2.745 415 Y HA -0.365 4.198 4.550 0.021 0.000 0.477 415 Y C 2.398 178.012 175.900 -0.478 0.000 1.099 415 Y CA 1.974 59.765 58.100 -0.514 0.000 2.900 415 Y CB -2.346 35.571 38.460 -0.904 0.000 1.080 415 Y HN 0.609 nan 8.280 nan 0.000 0.599 416 T N 0.129 114.484 114.554 -0.332 0.000 2.699 416 T HA -0.285 4.078 4.350 0.021 0.000 0.268 416 T C 1.231 175.863 174.700 -0.113 0.000 1.036 416 T CA 1.860 63.920 62.100 -0.067 0.000 1.147 416 T CB -0.628 68.310 68.868 0.117 0.000 0.862 416 T HN 0.559 nan 8.240 nan 0.000 0.446 417 D N 0.275 120.541 120.400 -0.224 0.000 2.108 417 D HA -0.131 4.522 4.640 0.021 0.000 0.190 417 D C 2.364 178.560 176.300 -0.174 0.000 0.995 417 D CA 1.768 55.633 54.000 -0.224 0.000 0.834 417 D CB -0.516 40.036 40.800 -0.414 0.000 0.967 417 D HN 0.247 nan 8.370 nan 0.000 0.446 418 T N -0.959 113.465 114.554 -0.217 0.000 2.746 418 T HA -0.177 4.186 4.350 0.021 0.000 0.267 418 T C 1.907 176.478 174.700 -0.216 0.000 1.039 418 T CA 1.619 63.605 62.100 -0.190 0.000 1.142 418 T CB -0.213 68.524 68.868 -0.219 0.000 0.866 418 T HN 0.209 nan 8.240 nan 0.000 0.444 419 Q N -0.107 119.503 119.800 -0.316 0.000 2.124 419 Q HA -0.003 4.350 4.340 0.021 0.000 0.202 419 Q C 2.298 178.002 176.000 -0.494 0.000 0.977 419 Q CA 1.464 56.950 55.803 -0.527 0.000 0.850 419 Q CB -0.204 27.977 28.738 -0.928 0.000 0.901 419 Q HN 0.546 nan 8.270 nan 0.000 0.429 420 I N -0.134 120.282 120.570 -0.257 0.000 2.252 420 I HA -0.275 3.908 4.170 0.021 0.000 0.245 420 I C 2.557 178.663 176.117 -0.019 0.000 1.102 420 I CA 0.885 62.175 61.300 -0.016 0.000 1.385 420 I CB -0.286 37.784 38.000 0.116 0.000 1.064 420 I HN 0.191 nan 8.210 nan 0.000 0.414 421 S N 0.857 116.528 115.700 -0.048 0.000 2.353 421 S HA -0.284 4.198 4.470 0.021 0.000 0.222 421 S C 2.279 176.861 174.600 -0.029 0.000 1.035 421 S CA 1.838 60.022 58.200 -0.027 0.000 1.025 421 S CB -0.249 62.928 63.200 -0.039 0.000 0.902 421 S HN 0.335 nan 8.310 nan 0.000 0.440 422 R N -0.004 120.452 120.500 -0.074 0.000 2.066 422 R HA 0.106 4.459 4.340 0.021 0.000 0.232 422 R C 2.168 178.443 176.300 -0.043 0.000 1.131 422 R CA 1.625 57.687 56.100 -0.065 0.000 0.955 422 R CB -0.291 29.941 30.300 -0.114 0.000 0.851 422 R HN 0.472 nan 8.270 nan 0.000 0.432 423 L N -0.987 120.187 121.223 -0.081 0.000 2.558 423 L HA 0.240 4.593 4.340 0.021 0.000 0.225 423 L C 1.255 178.173 176.870 0.080 0.000 1.128 423 L CA 0.558 55.381 54.840 -0.028 0.000 0.868 423 L CB 0.571 42.568 42.059 -0.104 0.000 1.006 423 L HN 0.675 nan 8.230 nan 0.000 0.454 424 G N -0.595 108.276 108.800 0.119 0.000 2.195 424 G HA2 -0.111 3.861 3.960 0.021 0.000 0.224 424 G HA3 -0.111 3.861 3.960 0.021 0.000 0.224 424 G C 0.384 175.441 174.900 0.262 0.000 0.990 424 G CA -0.333 44.908 45.100 0.234 0.000 0.639 424 G HN 0.689 nan 8.290 nan 0.000 0.514 425 G N -1.322 107.626 108.800 0.248 0.000 2.349 425 G HA2 0.674 4.647 3.960 0.021 0.000 0.294 425 G HA3 0.674 4.647 3.960 0.021 0.000 0.294 425 G C -2.379 172.712 174.900 0.318 0.000 1.380 425 G CA 0.418 45.665 45.100 0.244 0.000 0.811 425 G HN 0.272 nan 8.290 nan 0.000 0.519 426 P HA 0.089 nan 4.420 nan 0.000 0.245 426 P C 0.364 177.676 177.300 0.020 0.000 1.206 426 P CA 0.388 63.599 63.100 0.185 0.000 0.781 426 P CB 0.313 32.087 31.700 0.123 0.000 0.994 427 N N 0.262 118.946 118.700 -0.028 0.000 2.276 427 N HA 0.055 4.808 4.740 0.021 0.000 0.212 427 N C 1.024 176.226 175.510 -0.514 0.000 1.127 427 N CA -0.107 52.724 53.050 -0.365 0.000 0.834 427 N CB -0.546 37.851 38.487 -0.150 0.000 1.014 427 N HN 0.270 nan 8.380 nan 0.000 0.491 428 F N 0.822 120.663 119.950 -0.181 0.000 2.546 428 F HA -0.026 4.513 4.527 0.020 0.000 0.298 428 F C 2.133 177.837 175.800 -0.161 0.000 1.120 428 F CA 0.585 58.498 58.000 -0.144 0.000 1.456 428 F CB -0.767 38.202 39.000 -0.052 0.000 1.088 428 F HN 0.173 nan 8.300 nan 0.000 0.572 429 H N 0.187 118.930 119.070 -0.546 0.000 2.524 429 H HA 0.081 4.650 4.556 0.022 0.000 0.282 429 H C 0.829 176.061 175.328 -0.160 0.000 1.016 429 H CA 1.260 57.088 56.048 -0.368 0.000 1.270 429 H CB -0.610 28.814 29.762 -0.563 0.000 1.394 429 H HN 0.497 nan 8.280 nan 0.000 0.568 430 E N 1.090 120.985 120.200 -0.508 0.000 2.435 430 E HA 0.164 4.527 4.350 0.021 0.000 0.195 430 E C 0.363 176.893 176.600 -0.117 0.000 1.029 430 E CA -0.263 56.010 56.400 -0.211 0.000 0.865 430 E CB 0.421 30.004 29.700 -0.194 0.000 0.833 430 E HN 0.437 nan 8.360 nan 0.000 0.510 431 I N 2.485 122.994 120.570 -0.102 0.000 2.683 431 I HA -0.063 4.120 4.170 0.021 0.000 0.286 431 I C -1.480 174.599 176.117 -0.063 0.000 1.175 431 I CA -1.478 59.781 61.300 -0.068 0.000 1.429 431 I CB 0.535 38.506 38.000 -0.048 0.000 1.371 431 I HN -0.165 nan 8.210 nan 0.000 0.569 432 P HA -0.271 nan 4.420 nan 0.000 0.217 432 P C 1.720 178.960 177.300 -0.099 0.000 1.162 432 P CA 1.426 64.482 63.100 -0.074 0.000 0.901 432 P CB 0.133 31.791 31.700 -0.070 0.000 0.793 433 I N -0.899 119.584 120.570 -0.144 0.000 2.335 433 I HA -0.210 3.973 4.170 0.021 0.000 0.251 433 I C 1.396 177.446 176.117 -0.112 0.000 1.129 433 I CA 1.752 62.916 61.300 -0.226 0.000 1.402 433 I CB -0.650 37.100 38.000 -0.417 0.000 1.069 433 I HN -0.108 nan 8.210 nan 0.000 0.424 434 N N 0.645 119.305 118.700 -0.067 0.000 2.424 434 N HA 0.029 4.781 4.740 0.021 0.000 0.178 434 N C 0.269 175.814 175.510 0.057 0.000 1.060 434 N CA 0.256 53.300 53.050 -0.010 0.000 0.901 434 N CB -0.113 38.390 38.487 0.027 0.000 0.979 434 N HN 0.407 nan 8.380 nan 0.000 0.451 435 R N 1.648 122.185 120.500 0.061 0.000 2.590 435 R HA 0.198 4.551 4.340 0.021 0.000 0.274 435 R C -2.178 174.207 176.300 0.142 0.000 1.061 435 R CA -1.266 54.880 56.100 0.077 0.000 1.081 435 R CB -0.246 30.078 30.300 0.040 0.000 0.984 435 R HN 0.051 nan 8.270 nan 0.000 0.448 436 P HA -0.021 nan 4.420 nan 0.000 0.271 436 P C 0.547 177.911 177.300 0.106 0.000 1.233 436 P CA -0.118 63.069 63.100 0.146 0.000 0.789 436 P CB 0.478 32.230 31.700 0.086 0.000 0.951 437 T N -2.560 112.059 114.554 0.108 0.000 2.942 437 T HA -0.008 4.354 4.350 0.021 0.000 0.265 437 T C 0.739 175.456 174.700 0.028 0.000 1.062 437 T CA 0.733 62.849 62.100 0.027 0.000 1.139 437 T CB -0.660 68.223 68.868 0.025 0.000 0.883 437 T HN 0.342 nan 8.240 nan 0.000 0.468 438 C N 4.164 123.495 119.300 0.051 0.000 2.281 438 C HA 0.519 4.992 4.460 0.021 0.000 0.325 438 C C -2.094 172.917 174.990 0.035 0.000 1.282 438 C CA -2.034 57.008 59.018 0.040 0.000 1.640 438 C CB 0.594 28.365 27.740 0.052 0.000 2.288 438 C HN 0.428 nan 8.230 nan 0.000 0.507 439 P HA -0.042 nan 4.420 nan 0.000 0.264 439 P C -0.902 176.264 177.300 -0.223 0.000 1.173 439 P CA 0.455 63.474 63.100 -0.135 0.000 0.761 439 P CB 0.176 31.748 31.700 -0.213 0.000 0.794 440 Y N 0.425 120.543 120.300 -0.302 0.000 2.354 440 Y HA 0.615 5.177 4.550 0.021 0.000 0.322 440 Y C -0.220 175.282 175.900 -0.663 0.000 1.253 440 Y CA -0.994 56.919 58.100 -0.310 0.000 1.272 440 Y CB 0.906 39.238 38.460 -0.213 0.000 1.255 440 Y HN 0.360 nan 8.280 nan 0.000 0.500 441 H N 2.034 121.082 119.070 -0.036 0.000 2.744 441 H HA 0.448 5.017 4.556 0.022 0.000 0.339 441 H C -1.123 174.156 175.328 -0.081 0.000 1.004 441 H CA -0.733 55.229 56.048 -0.144 0.000 1.257 441 H CB 1.111 30.783 29.762 -0.150 0.000 1.552 441 H HN 0.853 nan 8.280 nan 0.000 0.522 442 N N 0.666 119.323 118.700 -0.070 0.000 3.364 442 N HA 0.199 4.952 4.740 0.021 0.000 0.294 442 N C -1.229 174.110 175.510 -0.284 0.000 1.562 442 N CA -0.935 52.016 53.050 -0.165 0.000 0.862 442 N CB 0.751 39.260 38.487 0.038 0.000 1.691 442 N HN 0.255 nan 8.380 nan 0.000 0.572 443 F N -0.463 119.547 119.950 0.099 0.000 2.647 443 F HA 0.364 4.903 4.527 0.021 0.000 0.300 443 F C 0.326 176.181 175.800 0.092 0.000 1.106 443 F CA -0.402 57.651 58.000 0.088 0.000 1.313 443 F CB 0.279 39.322 39.000 0.072 0.000 1.007 443 F HN 0.157 nan 8.300 nan 0.000 0.536 444 Q N 1.683 121.605 119.800 0.202 0.000 2.304 444 Q HA 0.377 4.729 4.340 0.021 0.000 0.260 444 Q C 0.096 176.186 176.000 0.150 0.000 0.965 444 Q CA -0.035 55.858 55.803 0.151 0.000 0.898 444 Q CB 1.102 29.892 28.738 0.087 0.000 1.196 444 Q HN 0.132 nan 8.270 nan 0.000 0.402 445 R N 1.773 122.352 120.500 0.132 0.000 2.888 445 R HA 0.369 4.722 4.340 0.021 0.000 0.264 445 R C -0.437 175.922 176.300 0.097 0.000 1.045 445 R CA -0.665 55.506 56.100 0.118 0.000 0.962 445 R CB 1.004 31.375 30.300 0.119 0.000 1.210 445 R HN 0.702 nan 8.270 nan 0.000 0.479 446 D N -0.191 120.259 120.400 0.084 0.000 3.301 446 D HA -0.210 4.443 4.640 0.021 0.000 0.217 446 D C 0.468 176.809 176.300 0.067 0.000 1.548 446 D CA 2.040 56.080 54.000 0.067 0.000 1.118 446 D CB -1.081 39.754 40.800 0.057 0.000 0.684 446 D HN 0.887 nan 8.370 nan 0.000 0.821 447 G N -1.289 107.543 108.800 0.053 0.000 2.730 447 G HA2 -0.000 3.972 3.960 0.021 0.000 0.686 447 G HA3 -0.000 3.972 3.960 0.021 0.000 0.686 447 G C -0.189 174.732 174.900 0.035 0.000 1.343 447 G CA 0.003 45.134 45.100 0.051 0.000 0.826 447 G HN 0.725 nan 8.290 nan 0.000 0.582 448 M N 2.676 122.284 119.600 0.013 0.000 2.251 448 M HA 0.279 4.772 4.480 0.021 0.000 0.343 448 M C 1.390 177.708 176.300 0.030 0.000 1.245 448 M CA 0.832 56.084 55.300 -0.080 0.000 1.061 448 M CB -0.102 32.398 32.600 -0.168 0.000 1.723 448 M HN 0.996 nan 8.290 nan 0.000 0.449 449 H N 1.032 120.112 119.070 0.016 0.000 2.680 449 H HA -0.172 4.397 4.556 0.023 0.000 0.328 449 H C -0.470 174.854 175.328 -0.006 0.000 1.139 449 H CA -0.017 56.036 56.048 0.008 0.000 1.124 449 H CB -1.639 28.130 29.762 0.011 0.000 1.584 449 H HN 0.544 nan 8.280 nan 0.000 0.410 450 R N 1.757 122.317 120.500 0.100 0.000 2.316 450 R HA 0.151 4.504 4.340 0.021 0.000 0.314 450 R C 1.283 177.612 176.300 0.048 0.000 1.069 450 R CA -0.304 55.833 56.100 0.062 0.000 0.959 450 R CB 0.455 30.790 30.300 0.058 0.000 0.987 450 R HN 0.357 nan 8.270 nan 0.000 0.446 451 M N 2.210 121.826 119.600 0.026 0.000 2.552 451 M HA 0.235 4.728 4.480 0.021 0.000 0.264 451 M C 0.978 177.282 176.300 0.008 0.000 1.159 451 M CA 0.673 55.981 55.300 0.014 0.000 1.176 451 M CB -0.538 32.058 32.600 -0.006 0.000 1.327 451 M HN 0.654 nan 8.290 nan 0.000 0.481 452 G N 1.776 110.582 108.800 0.011 0.000 2.442 452 G HA2 0.441 4.414 3.960 0.021 0.000 0.249 452 G HA3 0.441 4.414 3.960 0.021 0.000 0.249 452 G C -0.408 174.492 174.900 0.001 0.000 1.263 452 G CA -0.439 44.654 45.100 -0.011 0.000 0.846 452 G HN 0.284 nan 8.290 nan 0.000 0.555 453 I N 2.546 123.111 120.570 -0.009 0.000 2.306 453 I HA 0.108 4.291 4.170 0.021 0.000 0.288 453 I C -0.224 175.892 176.117 -0.001 0.000 1.036 453 I CA -0.550 60.752 61.300 0.003 0.000 1.221 453 I CB 0.931 38.932 38.000 0.002 0.000 1.385 453 I HN 0.366 nan 8.210 nan 0.000 0.472 454 D N 4.564 124.972 120.400 0.012 0.000 2.382 454 D HA 0.093 4.746 4.640 0.021 0.000 0.245 454 D C 1.028 177.342 176.300 0.023 0.000 1.120 454 D CA 0.344 54.353 54.000 0.014 0.000 0.890 454 D CB 1.781 42.602 40.800 0.034 0.000 1.201 454 D HN 0.581 nan 8.370 nan 0.000 0.433 455 T N -1.696 112.868 114.554 0.018 0.000 3.004 455 T HA -0.031 4.332 4.350 0.021 0.000 0.266 455 T C 0.738 175.457 174.700 0.032 0.000 0.986 455 T CA -0.551 61.561 62.100 0.020 0.000 0.902 455 T CB 0.240 69.111 68.868 0.005 0.000 1.118 455 T HN 0.149 nan 8.240 nan 0.000 0.522 456 N N 3.420 122.143 118.700 0.040 0.000 2.411 456 N HA 0.105 4.858 4.740 0.021 0.000 0.261 456 N C -1.689 173.870 175.510 0.082 0.000 1.248 456 N CA -1.345 51.742 53.050 0.061 0.000 0.885 456 N CB 1.469 40.005 38.487 0.080 0.000 1.062 456 N HN 0.037 nan 8.380 nan 0.000 0.471 457 P HA -0.020 nan 4.420 nan 0.000 0.218 457 P C -0.588 176.774 177.300 0.103 0.000 1.148 457 P CA 0.956 64.106 63.100 0.083 0.000 0.822 457 P CB 0.188 31.929 31.700 0.070 0.000 0.784 458 A N 0.621 123.489 122.820 0.080 0.000 2.290 458 A HA 0.339 4.672 4.320 0.021 0.000 0.310 458 A C 0.593 178.269 177.584 0.153 0.000 1.202 458 A CA -0.560 51.458 52.037 -0.031 0.000 0.837 458 A CB -0.306 18.551 19.000 -0.238 0.000 1.139 458 A HN 0.300 nan 8.150 nan 0.000 0.509 459 N N 0.674 119.498 118.700 0.207 0.000 2.200 459 N HA 0.313 5.066 4.740 0.021 0.000 0.224 459 N C -0.550 175.124 175.510 0.274 0.000 1.179 459 N CA -0.363 52.897 53.050 0.350 0.000 0.877 459 N CB 0.254 38.910 38.487 0.281 0.000 1.072 459 N HN 0.711 nan 8.380 nan 0.000 0.519 460 Y N -0.797 119.369 120.300 -0.223 0.000 2.644 460 Y HA 0.726 5.289 4.550 0.021 0.000 0.338 460 Y C -1.351 173.968 175.900 -0.968 0.000 1.119 460 Y CA -1.412 56.394 58.100 -0.489 0.000 1.060 460 Y CB 1.076 39.405 38.460 -0.219 0.000 1.294 460 Y HN 0.057 nan 8.280 nan 0.000 0.472 461 E N 0.264 120.062 120.200 -0.670 0.000 2.390 461 E HA 0.609 4.972 4.350 0.021 0.000 0.277 461 E C -3.228 173.279 176.600 -0.154 0.000 0.939 461 E CA -1.986 54.076 56.400 -0.563 0.000 0.769 461 E CB 1.614 30.907 29.700 -0.678 0.000 1.251 461 E HN 0.571 nan 8.360 nan 0.000 0.450 462 P HA 0.319 nan 4.420 nan 0.000 0.278 462 P C -1.278 175.971 177.300 -0.084 0.000 1.238 462 P CA -0.454 62.579 63.100 -0.112 0.000 0.794 462 P CB 0.621 32.288 31.700 -0.055 0.000 0.955 463 N N -1.292 117.286 118.700 -0.204 0.000 2.405 463 N HA 0.416 5.168 4.740 0.021 0.000 0.285 463 N C 0.306 175.767 175.510 -0.081 0.000 1.262 463 N CA -0.741 52.193 53.050 -0.193 0.000 0.773 463 N CB 1.418 39.514 38.487 -0.652 0.000 1.490 463 N HN 0.211 nan 8.380 nan 0.000 0.486 464 S N -0.094 115.601 115.700 -0.007 0.000 2.524 464 S HA 0.022 4.505 4.470 0.021 0.000 0.222 464 S C 1.512 176.126 174.600 0.024 0.000 1.040 464 S CA -0.141 58.063 58.200 0.007 0.000 0.915 464 S CB -0.711 62.505 63.200 0.028 0.000 0.831 464 S HN 0.707 nan 8.310 nan 0.000 0.492 465 I N -0.653 119.936 120.570 0.032 0.000 3.001 465 I HA 0.235 4.418 4.170 0.021 0.000 0.268 465 I C 1.165 177.314 176.117 0.053 0.000 1.267 465 I CA 1.204 62.534 61.300 0.049 0.000 1.472 465 I CB -0.349 37.696 38.000 0.075 0.000 1.089 465 I HN 0.182 nan 8.210 nan 0.000 0.468 466 N N 1.308 120.038 118.700 0.050 0.000 2.291 466 N HA 0.043 4.796 4.740 0.021 0.000 0.244 466 N C -0.210 175.421 175.510 0.201 0.000 1.216 466 N CA -0.078 53.047 53.050 0.125 0.000 0.879 466 N CB 0.031 38.605 38.487 0.145 0.000 1.167 466 N HN 0.207 nan 8.380 nan 0.000 0.515 467 D N 0.788 121.253 120.400 0.108 0.000 2.689 467 D HA -0.250 4.403 4.640 0.021 0.000 0.237 467 D C -0.030 176.187 176.300 -0.138 0.000 1.148 467 D CA 0.939 54.972 54.000 0.056 0.000 0.656 467 D CB -1.375 39.532 40.800 0.179 0.000 1.050 467 D HN 0.444 nan 8.370 nan 0.000 0.426 468 N N -1.565 117.067 118.700 -0.113 0.000 2.732 468 N HA -0.254 4.499 4.740 0.021 0.000 0.250 468 N C -0.758 174.672 175.510 -0.132 0.000 1.097 468 N CA 1.436 54.385 53.050 -0.169 0.000 0.812 468 N CB -1.173 37.163 38.487 -0.253 0.000 1.148 468 N HN 0.551 nan 8.380 nan 0.000 0.572 469 W N 1.105 122.455 121.300 0.084 0.000 2.313 469 W HA 0.418 5.090 4.660 0.021 0.000 0.328 469 W C -1.601 174.973 176.519 0.093 0.000 1.197 469 W CA -1.497 55.885 57.345 0.063 0.000 1.235 469 W CB 0.458 29.908 29.460 -0.018 0.000 1.158 469 W HN -0.027 nan 8.180 nan 0.000 0.578 470 P HA 0.245 nan 4.420 nan 0.000 0.277 470 P C -0.724 176.700 177.300 0.206 0.000 1.240 470 P CA -0.243 63.009 63.100 0.254 0.000 0.798 470 P CB 1.189 32.900 31.700 0.019 0.000 0.979 471 R N 0.879 121.475 120.500 0.159 0.000 2.604 471 R HA 0.313 4.666 4.340 0.021 0.000 0.287 471 R C 0.331 176.655 176.300 0.041 0.000 0.970 471 R CA -0.812 55.267 56.100 -0.035 0.000 0.946 471 R CB 1.122 31.192 30.300 -0.383 0.000 1.127 471 R HN 0.501 nan 8.270 nan 0.000 0.473 472 E N 0.717 120.931 120.200 0.022 0.000 2.436 472 E HA 0.001 4.364 4.350 0.021 0.000 0.262 472 E C -0.554 176.063 176.600 0.027 0.000 1.063 472 E CA 0.741 57.164 56.400 0.039 0.000 0.944 472 E CB 0.582 30.297 29.700 0.025 0.000 0.950 472 E HN 0.346 nan 8.360 nan 0.000 0.444 473 T N 3.890 118.472 114.554 0.045 0.000 2.890 473 T HA 0.296 4.659 4.350 0.021 0.000 0.295 473 T C -2.438 172.282 174.700 0.034 0.000 0.993 473 T CA -1.549 60.577 62.100 0.043 0.000 0.979 473 T CB 1.364 70.270 68.868 0.062 0.000 0.967 473 T HN 0.242 nan 8.240 nan 0.000 0.441 474 P HA 0.160 nan 4.420 nan 0.000 0.269 474 P C -2.491 174.812 177.300 0.005 0.000 1.211 474 P CA -1.064 62.041 63.100 0.008 0.000 0.781 474 P CB -0.389 31.311 31.700 0.001 0.000 0.877 475 P HA 0.294 nan 4.420 nan 0.000 0.272 475 P C 0.007 177.293 177.300 -0.023 0.000 1.223 475 P CA 0.367 63.449 63.100 -0.031 0.000 0.784 475 P CB 0.658 32.321 31.700 -0.062 0.000 0.923 476 G N 1.175 109.961 108.800 -0.024 0.000 2.548 476 G HA2 0.428 4.401 3.960 0.021 0.000 0.301 476 G HA3 0.428 4.401 3.960 0.021 0.000 0.301 476 G C -2.540 172.348 174.900 -0.021 0.000 1.349 476 G CA -0.757 44.333 45.100 -0.017 0.000 0.792 476 G HN 0.134 nan 8.290 nan 0.000 0.481 477 P HA 0.121 nan 4.420 nan 0.000 0.217 477 P C 0.042 177.336 177.300 -0.011 0.000 1.151 477 P CA 1.055 64.144 63.100 -0.018 0.000 0.828 477 P CB 0.180 31.871 31.700 -0.014 0.000 0.788 478 K N -0.990 119.410 120.400 -0.000 0.000 2.468 478 K HA 0.429 4.762 4.320 0.021 0.000 0.252 478 K C 0.013 176.625 176.600 0.020 0.000 0.932 478 K CA -0.768 55.525 56.287 0.011 0.000 0.794 478 K CB 1.604 34.112 32.500 0.014 0.000 1.241 478 K HN -0.283 nan 8.250 nan 0.000 0.428 479 R N -0.173 120.346 120.500 0.031 0.000 3.741 479 R HA -0.156 4.196 4.340 0.021 0.000 0.292 479 R C 0.170 176.495 176.300 0.041 0.000 1.176 479 R CA 1.030 57.155 56.100 0.042 0.000 0.794 479 R CB -2.096 28.230 30.300 0.043 0.000 1.213 479 R HN 0.963 nan 8.270 nan 0.000 0.494 480 G N -0.661 108.158 108.800 0.031 0.000 2.522 480 G HA2 0.588 4.561 3.960 0.021 0.000 0.304 480 G HA3 0.588 4.561 3.960 0.021 0.000 0.304 480 G C 0.466 175.392 174.900 0.044 0.000 1.210 480 G CA 0.098 45.215 45.100 0.027 0.000 0.960 480 G HN 0.240 nan 8.290 nan 0.000 0.497 481 G N -1.431 107.397 108.800 0.047 0.000 2.599 481 G HA2 0.410 4.382 3.960 0.021 0.000 0.264 481 G HA3 0.410 4.382 3.960 0.021 0.000 0.264 481 G C -0.773 174.174 174.900 0.078 0.000 1.200 481 G CA -0.614 44.535 45.100 0.082 0.000 0.896 481 G HN 0.450 nan 8.290 nan 0.000 0.536 482 F N 0.155 120.111 119.950 0.010 0.000 2.445 482 F HA 0.412 4.952 4.527 0.022 0.000 0.359 482 F C 0.481 176.286 175.800 0.010 0.000 1.101 482 F CA -0.374 57.627 58.000 0.002 0.000 1.177 482 F CB 0.964 39.965 39.000 0.002 0.000 1.110 482 F HN 0.435 nan 8.300 nan 0.000 0.522 483 E N 4.054 123.834 120.200 -0.700 0.000 2.224 483 E HA 0.335 4.698 4.350 0.021 0.000 0.265 483 E C -1.026 175.155 176.600 -0.698 0.000 0.878 483 E CA -0.728 55.400 56.400 -0.453 0.000 0.759 483 E CB 1.439 30.988 29.700 -0.253 0.000 1.164 483 E HN 0.610 nan 8.360 nan 0.000 0.414 484 S N 2.580 118.137 115.700 -0.237 0.000 2.576 484 S HA 0.033 4.515 4.470 0.021 0.000 0.276 484 S C -0.720 173.866 174.600 -0.024 0.000 1.339 484 S CA -0.384 57.787 58.200 -0.047 0.000 1.039 484 S CB 0.191 63.497 63.200 0.176 0.000 0.902 484 S HN 0.490 nan 8.310 nan 0.000 0.516 485 Y N 2.544 122.785 120.300 -0.099 0.000 2.632 485 Y HA 0.011 4.574 4.550 0.021 0.000 0.329 485 Y C 0.886 176.765 175.900 -0.036 0.000 1.174 485 Y CA -0.011 58.038 58.100 -0.086 0.000 1.469 485 Y CB 0.132 38.541 38.460 -0.085 0.000 1.242 485 Y HN 0.585 nan 8.280 nan 0.000 0.540 486 Q N 5.210 124.697 119.800 -0.521 0.000 3.151 486 Q HA -0.024 4.328 4.340 0.021 0.000 0.277 486 Q C -0.105 175.591 176.000 -0.505 0.000 1.343 486 Q CA 0.096 55.657 55.803 -0.404 0.000 0.925 486 Q CB -0.302 28.270 28.738 -0.277 0.000 1.771 486 Q HN 0.659 nan 8.270 nan 0.000 0.514 487 E N 1.581 121.538 120.200 -0.404 0.000 2.413 487 E HA -0.023 4.340 4.350 0.021 0.000 0.263 487 E C -0.154 176.396 176.600 -0.083 0.000 1.015 487 E CA -0.254 56.035 56.400 -0.186 0.000 0.916 487 E CB 0.655 30.401 29.700 0.077 0.000 0.947 487 E HN 0.258 nan 8.360 nan 0.000 0.440 488 R N 2.765 123.244 120.500 -0.035 0.000 2.438 488 R HA 0.210 4.563 4.340 0.021 0.000 0.287 488 R C -1.317 175.000 176.300 0.028 0.000 1.077 488 R CA -0.369 55.727 56.100 -0.007 0.000 1.034 488 R CB 0.778 31.082 30.300 0.006 0.000 0.993 488 R HN 0.273 nan 8.270 nan 0.000 0.459 489 V N 4.506 124.432 119.914 0.019 0.000 2.409 489 V HA 0.378 4.511 4.120 0.021 0.000 0.291 489 V C -0.446 175.660 176.094 0.020 0.000 1.020 489 V CA -0.496 61.821 62.300 0.027 0.000 0.848 489 V CB 1.390 33.226 31.823 0.021 0.000 0.990 489 V HN 0.847 nan 8.190 nan 0.000 0.430 490 E N 2.804 123.019 120.200 0.024 0.000 2.294 490 E HA 0.649 5.011 4.350 0.021 0.000 0.272 490 E C -0.310 176.297 176.600 0.011 0.000 0.896 490 E CA -0.101 56.307 56.400 0.015 0.000 0.802 490 E CB 2.172 31.881 29.700 0.014 0.000 1.267 490 E HN 0.957 nan 8.360 nan 0.000 0.406 491 G N 2.867 111.669 108.800 0.004 0.000 2.327 491 G HA2 0.078 4.051 3.960 0.021 0.000 0.291 491 G HA3 0.078 4.051 3.960 0.021 0.000 0.291 491 G C -1.427 173.470 174.900 -0.006 0.000 1.290 491 G CA -0.884 44.215 45.100 -0.002 0.000 0.857 491 G HN 0.394 nan 8.290 nan 0.000 0.520 492 N N 0.083 118.777 118.700 -0.011 0.000 2.485 492 N HA 0.445 5.198 4.740 0.021 0.000 0.280 492 N C -0.347 175.153 175.510 -0.017 0.000 1.205 492 N CA -0.484 52.558 53.050 -0.013 0.000 0.959 492 N CB 1.041 39.519 38.487 -0.015 0.000 1.206 492 N HN 0.456 nan 8.380 nan 0.000 0.545 493 K N 0.920 121.310 120.400 -0.017 0.000 2.278 493 K HA 0.237 4.569 4.320 0.021 0.000 0.289 493 K C -0.528 176.055 176.600 -0.028 0.000 1.080 493 K CA -0.234 56.040 56.287 -0.022 0.000 0.934 493 K CB -0.146 32.343 32.500 -0.018 0.000 1.093 493 K HN 0.362 nan 8.250 nan 0.000 0.459 494 V N 0.106 119.998 119.914 -0.036 0.000 3.007 494 V HA 0.479 4.612 4.120 0.021 0.000 0.311 494 V C -0.447 175.611 176.094 -0.060 0.000 1.120 494 V CA -1.363 60.910 62.300 -0.044 0.000 0.980 494 V CB 2.058 33.855 31.823 -0.043 0.000 1.033 494 V HN 0.608 nan 8.190 nan 0.000 0.429 495 R N 1.959 122.417 120.500 -0.069 0.000 3.070 495 R HA 0.528 4.881 4.340 0.021 0.000 0.252 495 R C -0.412 175.833 176.300 -0.092 0.000 1.370 495 R CA -0.056 55.988 56.100 -0.094 0.000 1.482 495 R CB 0.492 30.724 30.300 -0.113 0.000 1.220 495 R HN 0.922 nan 8.270 nan 0.000 0.622 496 E N 1.413 121.556 120.200 -0.094 0.000 2.292 496 E HA 0.260 4.623 4.350 0.021 0.000 0.272 496 E C -1.182 175.343 176.600 -0.124 0.000 0.881 496 E CA -1.090 55.255 56.400 -0.091 0.000 0.754 496 E CB 1.476 31.134 29.700 -0.070 0.000 1.201 496 E HN 0.057 nan 8.360 nan 0.000 0.425 497 R N 1.880 122.311 120.500 -0.116 0.000 2.298 497 R HA 0.193 4.546 4.340 0.021 0.000 0.310 497 R C -0.595 175.604 176.300 -0.169 0.000 1.068 497 R CA 0.064 56.062 56.100 -0.170 0.000 0.957 497 R CB 1.080 31.329 30.300 -0.085 0.000 1.003 497 R HN 0.380 nan 8.270 nan 0.000 0.454 498 S N 5.494 121.008 115.700 -0.309 0.000 2.537 498 S HA 0.107 4.589 4.470 0.021 0.000 0.286 498 S C -1.474 173.124 174.600 -0.003 0.000 1.299 498 S CA -1.249 56.857 58.200 -0.157 0.000 1.067 498 S CB 0.644 63.737 63.200 -0.179 0.000 0.864 498 S HN 0.549 nan 8.310 nan 0.000 0.494 499 P HA -0.109 nan 4.420 nan 0.000 0.219 499 P C 1.481 178.839 177.300 0.097 0.000 1.146 499 P CA 1.215 64.346 63.100 0.053 0.000 0.808 499 P CB -0.215 31.502 31.700 0.028 0.000 0.779 500 S N -1.987 113.808 115.700 0.159 0.000 2.469 500 S HA -0.105 4.377 4.470 0.021 0.000 0.238 500 S C 1.490 176.215 174.600 0.208 0.000 0.998 500 S CA 0.745 59.050 58.200 0.175 0.000 0.957 500 S CB -1.427 61.900 63.200 0.212 0.000 0.764 500 S HN -0.031 nan 8.310 nan 0.000 0.514 501 F N 2.316 122.253 119.950 -0.021 0.000 2.789 501 F HA 0.367 4.907 4.527 0.021 0.000 0.300 501 F C 1.993 177.726 175.800 -0.111 0.000 1.132 501 F CA -0.646 57.336 58.000 -0.031 0.000 1.404 501 F CB -0.618 38.393 39.000 0.018 0.000 1.114 501 F HN 0.348 nan 8.300 nan 0.000 0.584 502 G N 0.620 109.420 108.800 0.000 0.000 3.455 502 G HA2 0.080 4.053 3.960 0.021 0.000 0.250 502 G HA3 0.080 4.053 3.960 0.021 0.000 0.250 502 G C -0.047 174.442 174.900 -0.685 0.000 1.071 502 G CA 0.141 45.078 45.100 -0.273 0.000 1.812 502 G HN 0.056 nan 8.290 nan 0.000 0.643 503 E N 0.111 119.791 120.200 -0.866 0.000 2.278 503 E HA 0.332 4.694 4.350 0.021 0.000 0.272 503 E C -0.905 175.220 176.600 -0.791 0.000 0.890 503 E CA -0.760 55.219 56.400 -0.701 0.000 0.770 503 E CB 1.536 31.078 29.700 -0.263 0.000 1.212 503 E HN 0.213 nan 8.360 nan 0.000 0.415 504 Y N 2.540 122.636 120.300 -0.341 0.000 2.448 504 Y HA 0.195 4.758 4.550 0.021 0.000 0.257 504 Y C 0.802 176.427 175.900 -0.459 0.000 1.089 504 Y CA -0.130 57.680 58.100 -0.483 0.000 1.245 504 Y CB 0.362 38.384 38.460 -0.731 0.000 1.282 504 Y HN 0.415 nan 8.280 nan 0.000 0.529 505 Y N -1.026 119.358 120.300 0.140 0.000 2.498 505 Y HA 0.101 4.664 4.550 0.021 0.000 0.259 505 Y C 2.433 178.399 175.900 0.109 0.000 1.086 505 Y CA 0.195 58.374 58.100 0.131 0.000 1.287 505 Y CB -0.249 38.291 38.460 0.134 0.000 1.146 505 Y HN 0.082 nan 8.280 nan 0.000 0.523 506 S N -0.722 115.110 115.700 0.221 0.000 2.406 506 S HA -0.176 4.306 4.470 0.021 0.000 0.228 506 S C 1.470 176.165 174.600 0.160 0.000 1.020 506 S CA 1.380 59.698 58.200 0.197 0.000 0.965 506 S CB -0.424 62.889 63.200 0.189 0.000 0.798 506 S HN 0.436 nan 8.310 nan 0.000 0.488 507 H N 2.581 121.576 119.070 -0.126 0.000 2.363 507 H HA 0.203 4.771 4.556 0.021 0.000 0.301 507 H C -0.662 174.474 175.328 -0.319 0.000 1.074 507 H CA 1.361 57.187 56.048 -0.369 0.000 1.354 507 H CB -1.701 27.599 29.762 -0.771 0.000 1.397 507 H HN 0.403 nan 8.280 nan 0.000 0.516 508 P HA -0.168 nan 4.420 nan 0.000 0.216 508 P C 1.464 178.963 177.300 0.332 0.000 1.150 508 P CA 1.683 64.946 63.100 0.270 0.000 0.843 508 P CB 0.101 31.981 31.700 0.299 0.000 0.787 509 R N -0.380 120.265 120.500 0.242 0.000 2.075 509 R HA -0.108 4.245 4.340 0.021 0.000 0.232 509 R C 2.131 178.571 176.300 0.232 0.000 1.126 509 R CA 1.071 57.317 56.100 0.243 0.000 0.963 509 R CB -1.062 29.340 30.300 0.170 0.000 0.858 509 R HN 0.060 nan 8.270 nan 0.000 0.435 510 L N 0.533 121.837 121.223 0.134 0.000 2.042 510 L HA -0.131 4.222 4.340 0.021 0.000 0.210 510 L C 1.960 178.894 176.870 0.106 0.000 1.076 510 L CA 1.736 56.617 54.840 0.068 0.000 0.749 510 L CB -0.761 41.268 42.059 -0.049 0.000 0.893 510 L HN 0.241 nan 8.230 nan 0.000 0.432 511 F N -0.676 119.320 119.950 0.076 0.000 2.075 511 F HA -0.283 4.257 4.527 0.022 0.000 0.297 511 F C 2.362 178.169 175.800 0.012 0.000 1.113 511 F CA 2.277 60.301 58.000 0.041 0.000 1.218 511 F CB -0.676 38.391 39.000 0.113 0.000 0.984 511 F HN 0.392 nan 8.300 nan 0.000 0.472 512 W N 1.478 122.809 121.300 0.052 0.000 2.318 512 W HA -0.262 4.411 4.660 0.021 0.000 0.313 512 W C 1.776 178.194 176.519 -0.169 0.000 1.221 512 W CA 1.999 59.314 57.345 -0.050 0.000 1.266 512 W CB -0.803 28.702 29.460 0.075 0.000 1.150 512 W HN 0.110 nan 8.180 nan 0.000 0.496 513 L N 1.185 122.339 121.223 -0.116 0.000 2.275 513 L HA -0.161 4.191 4.340 0.021 0.000 0.215 513 L C 2.406 179.078 176.870 -0.330 0.000 1.119 513 L CA 1.225 55.917 54.840 -0.246 0.000 0.790 513 L CB -0.782 41.260 42.059 -0.028 0.000 0.919 513 L HN -0.146 nan 8.230 nan 0.000 0.443 514 S N -1.430 114.059 115.700 -0.351 0.000 2.527 514 S HA 0.023 4.506 4.470 0.021 0.000 0.222 514 S C 0.780 175.094 174.600 -0.477 0.000 0.985 514 S CA 0.165 58.154 58.200 -0.352 0.000 0.921 514 S CB -0.059 62.961 63.200 -0.299 0.000 0.772 514 S HN 0.319 nan 8.310 nan 0.000 0.529 515 Q N 2.325 121.733 119.800 -0.652 0.000 2.354 515 Q HA 0.248 4.601 4.340 0.021 0.000 0.244 515 Q C 0.746 176.364 176.000 -0.636 0.000 0.969 515 Q CA -0.004 55.385 55.803 -0.690 0.000 0.885 515 Q CB 0.174 28.432 28.738 -0.800 0.000 1.241 515 Q HN 0.447 nan 8.270 nan 0.000 0.461 516 T N -1.876 112.263 114.554 -0.693 0.000 2.726 516 T HA 0.151 4.514 4.350 0.021 0.000 0.294 516 T C -1.755 172.471 174.700 -0.790 0.000 1.013 516 T CA -1.294 60.350 62.100 -0.759 0.000 0.996 516 T CB 0.253 68.407 68.868 -1.191 0.000 1.016 516 T HN 0.229 nan 8.240 nan 0.000 0.529 517 P HA 0.008 nan 4.420 nan 0.000 0.216 517 P C 1.393 178.464 177.300 -0.382 0.000 1.153 517 P CA 0.925 63.791 63.100 -0.390 0.000 0.848 517 P CB -0.243 31.352 31.700 -0.176 0.000 0.787 518 F N -0.180 119.576 119.950 -0.322 0.000 2.325 518 F HA 0.051 4.590 4.527 0.021 0.000 0.299 518 F C 1.776 177.195 175.800 -0.636 0.000 1.090 518 F CA 0.803 58.548 58.000 -0.424 0.000 1.392 518 F CB -1.606 37.146 39.000 -0.414 0.000 1.053 518 F HN -0.094 nan 8.300 nan 0.000 0.521 519 E N 0.590 120.192 120.200 -0.996 0.000 2.072 519 E HA -0.190 4.173 4.350 0.021 0.000 0.191 519 E C 2.212 178.604 176.600 -0.347 0.000 0.985 519 E CA 1.282 57.320 56.400 -0.604 0.000 0.801 519 E CB -0.257 29.076 29.700 -0.612 0.000 0.750 519 E HN 0.601 nan 8.360 nan 0.000 0.452 520 Q N 0.319 119.840 119.800 -0.465 0.000 2.061 520 Q HA -0.231 4.122 4.340 0.021 0.000 0.204 520 Q C 2.268 178.305 176.000 0.062 0.000 0.984 520 Q CA 1.636 57.213 55.803 -0.376 0.000 0.846 520 Q CB -0.180 28.074 28.738 -0.807 0.000 0.902 520 Q HN 0.032 nan 8.270 nan 0.000 0.421 521 R N 0.272 120.784 120.500 0.019 0.000 2.081 521 R HA -0.154 4.199 4.340 0.021 0.000 0.235 521 R C 1.677 178.157 176.300 0.300 0.000 1.131 521 R CA 1.879 58.081 56.100 0.171 0.000 0.960 521 R CB -0.495 29.883 30.300 0.129 0.000 0.856 521 R HN 0.457 nan 8.270 nan 0.000 0.436 522 H N -0.517 118.644 119.070 0.152 0.000 2.352 522 H HA -0.078 4.491 4.556 0.021 0.000 0.299 522 H C 2.044 177.484 175.328 0.187 0.000 1.097 522 H CA 1.444 57.595 56.048 0.172 0.000 1.311 522 H CB -0.046 29.818 29.762 0.171 0.000 1.377 522 H HN 0.203 nan 8.280 nan 0.000 0.504 523 I N 0.114 120.901 120.570 0.362 0.000 2.202 523 I HA -0.246 3.937 4.170 0.021 0.000 0.242 523 I C 2.375 178.768 176.117 0.460 0.000 1.091 523 I CA 0.709 62.250 61.300 0.402 0.000 1.368 523 I CB -0.149 38.173 38.000 0.536 0.000 1.058 523 I HN 0.064 nan 8.210 nan 0.000 0.410 524 V N 0.867 121.043 119.914 0.437 0.000 2.287 524 V HA -0.327 3.806 4.120 0.021 0.000 0.248 524 V C 1.986 178.249 176.094 0.281 0.000 1.053 524 V CA 2.112 64.619 62.300 0.345 0.000 1.027 524 V CB -0.665 31.320 31.823 0.271 0.000 0.646 524 V HN 0.423 nan 8.190 nan 0.000 0.447 525 D N 0.230 120.780 120.400 0.250 0.000 2.219 525 D HA -0.062 4.591 4.640 0.021 0.000 0.205 525 D C 2.144 178.521 176.300 0.129 0.000 0.970 525 D CA 1.361 55.476 54.000 0.192 0.000 0.851 525 D CB -0.442 40.474 40.800 0.194 0.000 0.943 525 D HN 0.482 nan 8.370 nan 0.000 0.488 526 G N 0.131 108.989 108.800 0.096 0.000 2.414 526 G HA2 -0.239 3.734 3.960 0.021 0.000 0.215 526 G HA3 -0.239 3.734 3.960 0.021 0.000 0.215 526 G C 1.431 176.319 174.900 -0.020 0.000 1.188 526 G CA 0.157 45.223 45.100 -0.056 0.000 0.783 526 G HN 0.153 nan 8.290 nan 0.000 0.537 527 F N 1.885 121.873 119.950 0.064 0.000 2.095 527 F HA -0.096 4.444 4.527 0.022 0.000 0.298 527 F C 3.201 178.930 175.800 -0.117 0.000 1.104 527 F CA 1.648 59.622 58.000 -0.042 0.000 1.232 527 F CB -0.523 38.459 39.000 -0.030 0.000 0.987 527 F HN 0.084 nan 8.300 nan 0.000 0.475 528 S N 0.028 115.823 115.700 0.157 0.000 2.353 528 S HA -0.248 4.235 4.470 0.021 0.000 0.222 528 S C 1.898 176.522 174.600 0.040 0.000 1.035 528 S CA 1.530 59.774 58.200 0.073 0.000 1.025 528 S CB -0.931 62.334 63.200 0.109 0.000 0.902 528 S HN 0.405 nan 8.310 nan 0.000 0.440 529 F N 2.542 122.458 119.950 -0.056 0.000 2.095 529 F HA -0.140 4.400 4.527 0.021 0.000 0.298 529 F C 2.342 178.088 175.800 -0.090 0.000 1.104 529 F CA 1.599 59.555 58.000 -0.073 0.000 1.232 529 F CB -0.288 38.619 39.000 -0.155 0.000 0.987 529 F HN 0.163 nan 8.300 nan 0.000 0.475 530 E N 0.514 120.666 120.200 -0.080 0.000 2.072 530 E HA -0.192 4.171 4.350 0.021 0.000 0.191 530 E C 2.381 178.802 176.600 -0.298 0.000 0.985 530 E CA 1.486 57.813 56.400 -0.122 0.000 0.801 530 E CB -0.475 29.311 29.700 0.143 0.000 0.750 530 E HN 0.480 nan 8.360 nan 0.000 0.452 531 L N 1.393 122.374 121.223 -0.404 0.000 2.201 531 L HA -0.129 4.224 4.340 0.021 0.000 0.212 531 L C 2.725 179.442 176.870 -0.256 0.000 1.105 531 L CA 1.107 55.688 54.840 -0.432 0.000 0.775 531 L CB -0.457 41.359 42.059 -0.406 0.000 0.913 531 L HN 0.156 nan 8.230 nan 0.000 0.440 532 S N -0.678 114.879 115.700 -0.238 0.000 2.453 532 S HA -0.093 4.390 4.470 0.021 0.000 0.231 532 S C 1.719 176.203 174.600 -0.194 0.000 1.005 532 S CA 0.543 58.626 58.200 -0.194 0.000 0.949 532 S CB -0.054 63.032 63.200 -0.190 0.000 0.774 532 S HN 0.271 nan 8.310 nan 0.000 0.510 533 K N 1.304 121.566 120.400 -0.230 0.000 2.404 533 K HA 0.328 4.660 4.320 0.021 0.000 0.194 533 K C -0.139 176.459 176.600 -0.003 0.000 1.023 533 K CA -0.008 56.205 56.287 -0.123 0.000 1.094 533 K CB 0.129 32.550 32.500 -0.132 0.000 0.841 533 K HN 0.317 nan 8.250 nan 0.000 0.523 534 V N 2.386 122.281 119.914 -0.032 0.000 2.389 534 V HA 0.000 4.133 4.120 0.021 0.000 0.264 534 V C 1.778 177.865 176.094 -0.012 0.000 1.049 534 V CA -0.110 62.198 62.300 0.013 0.000 0.932 534 V CB 1.138 32.941 31.823 -0.034 0.000 1.011 534 V HN -0.117 nan 8.190 nan 0.000 0.475 535 V N 5.114 125.043 119.914 0.025 0.000 2.343 535 V HA -0.106 4.027 4.120 0.021 0.000 0.247 535 V C 1.351 177.432 176.094 -0.022 0.000 1.051 535 V CA 1.420 63.728 62.300 0.015 0.000 1.036 535 V CB -0.524 31.326 31.823 0.046 0.000 0.654 535 V HN 0.771 nan 8.190 nan 0.000 0.451 536 R N 0.866 121.326 120.500 -0.066 0.000 2.242 536 R HA 0.171 4.524 4.340 0.021 0.000 0.334 536 R C -1.670 174.506 176.300 -0.206 0.000 1.071 536 R CA -1.398 54.622 56.100 -0.132 0.000 0.922 536 R CB 0.474 30.626 30.300 -0.246 0.000 1.023 536 R HN 0.248 nan 8.270 nan 0.000 0.458 537 P HA -0.232 nan 4.420 nan 0.000 0.216 537 P C 0.808 178.071 177.300 -0.062 0.000 1.150 537 P CA 1.331 64.400 63.100 -0.050 0.000 0.843 537 P CB -0.020 31.694 31.700 0.023 0.000 0.787 538 Y N -1.495 118.808 120.300 0.004 0.000 2.293 538 Y HA -0.071 4.492 4.550 0.021 0.000 0.291 538 Y C 1.969 177.878 175.900 0.014 0.000 1.137 538 Y CA 0.685 58.788 58.100 0.005 0.000 1.202 538 Y CB -1.702 36.762 38.460 0.006 0.000 0.990 538 Y HN -0.102 nan 8.280 nan 0.000 0.537 539 I N 0.924 121.095 120.570 -0.664 0.000 2.226 539 I HA -0.267 3.915 4.170 0.021 0.000 0.245 539 I C 2.514 178.556 176.117 -0.125 0.000 1.100 539 I CA 1.548 62.646 61.300 -0.337 0.000 1.374 539 I CB -0.460 37.333 38.000 -0.345 0.000 1.057 539 I HN 0.225 nan 8.210 nan 0.000 0.413 540 R N 0.821 121.232 120.500 -0.148 0.000 2.091 540 R HA -0.205 4.148 4.340 0.021 0.000 0.238 540 R C 2.142 178.393 176.300 -0.081 0.000 1.136 540 R CA 1.581 57.603 56.100 -0.130 0.000 0.959 540 R CB -0.362 29.861 30.300 -0.128 0.000 0.856 540 R HN 0.467 nan 8.270 nan 0.000 0.437 541 E N 0.284 120.461 120.200 -0.038 0.000 2.072 541 E HA -0.141 4.222 4.350 0.021 0.000 0.191 541 E C 2.128 178.735 176.600 0.011 0.000 0.985 541 E CA 0.985 57.381 56.400 -0.006 0.000 0.801 541 E CB 0.028 29.747 29.700 0.031 0.000 0.750 541 E HN 0.279 nan 8.360 nan 0.000 0.452 542 R N 0.304 120.829 120.500 0.041 0.000 2.092 542 R HA -0.091 4.262 4.340 0.021 0.000 0.231 542 R C 2.385 178.716 176.300 0.051 0.000 1.119 542 R CA 1.031 57.168 56.100 0.061 0.000 0.970 542 R CB -0.281 30.076 30.300 0.096 0.000 0.864 542 R HN 0.065 nan 8.270 nan 0.000 0.440 543 V N 0.508 120.443 119.914 0.036 0.000 2.358 543 V HA -0.201 3.932 4.120 0.021 0.000 0.246 543 V C 2.347 178.421 176.094 -0.034 0.000 1.047 543 V CA 1.491 63.821 62.300 0.050 0.000 1.035 543 V CB -0.349 31.498 31.823 0.040 0.000 0.658 543 V HN 0.109 nan 8.190 nan 0.000 0.452 544 V N 0.661 120.529 119.914 -0.077 0.000 2.332 544 V HA -0.341 3.792 4.120 0.021 0.000 0.248 544 V C 2.334 178.384 176.094 -0.072 0.000 1.055 544 V CA 2.567 64.801 62.300 -0.109 0.000 1.038 544 V CB -0.711 31.053 31.823 -0.098 0.000 0.651 544 V HN 0.677 nan 8.190 nan 0.000 0.450 545 D N -0.850 119.541 120.400 -0.015 0.000 2.104 545 D HA -0.206 4.447 4.640 0.021 0.000 0.194 545 D C 2.272 178.638 176.300 0.111 0.000 0.994 545 D CA 1.300 55.318 54.000 0.031 0.000 0.830 545 D CB -0.039 40.803 40.800 0.071 0.000 0.959 545 D HN 0.356 nan 8.370 nan 0.000 0.452 546 Q N -0.168 119.690 119.800 0.097 0.000 2.084 546 Q HA -0.089 4.264 4.340 0.021 0.000 0.202 546 Q C 2.610 178.641 176.000 0.052 0.000 0.978 546 Q CA 0.690 56.570 55.803 0.128 0.000 0.844 546 Q CB -0.317 28.507 28.738 0.144 0.000 0.898 546 Q HN 0.465 nan 8.270 nan 0.000 0.426 547 L N 0.194 121.375 121.223 -0.071 0.000 2.131 547 L HA -0.139 4.214 4.340 0.021 0.000 0.210 547 L C 2.328 179.076 176.870 -0.204 0.000 1.092 547 L CA 0.986 55.705 54.840 -0.201 0.000 0.759 547 L CB -0.673 41.156 42.059 -0.383 0.000 0.903 547 L HN 0.103 nan 8.230 nan 0.000 0.435 548 A N -0.880 121.835 122.820 -0.175 0.000 2.172 548 A HA -0.179 4.154 4.320 0.021 0.000 0.216 548 A C 1.686 179.074 177.584 -0.326 0.000 1.154 548 A CA 1.093 52.990 52.037 -0.234 0.000 0.701 548 A CB -0.709 18.155 19.000 -0.228 0.000 0.789 548 A HN 0.448 nan 8.150 nan 0.000 0.465 549 H N -1.284 117.585 119.070 -0.335 0.000 2.548 549 H HA 0.279 4.848 4.556 0.021 0.000 0.265 549 H C 1.557 176.642 175.328 -0.404 0.000 0.969 549 H CA 0.861 56.595 56.048 -0.522 0.000 1.155 549 H CB 0.113 29.160 29.762 -1.193 0.000 1.394 549 H HN 0.495 nan 8.280 nan 0.000 0.570 550 I N -1.120 119.365 120.570 -0.141 0.000 2.685 550 I HA 0.076 4.259 4.170 0.021 0.000 0.251 550 I C -0.123 175.925 176.117 -0.114 0.000 1.102 550 I CA 0.475 61.751 61.300 -0.039 0.000 1.442 550 I CB 0.665 38.667 38.000 0.003 0.000 1.194 550 I HN 0.100 nan 8.210 nan 0.000 0.448 551 D N -0.589 119.664 120.400 -0.244 0.000 2.871 551 D HA 0.164 4.817 4.640 0.021 0.000 0.209 551 D C 0.248 176.366 176.300 -0.303 0.000 1.292 551 D CA -0.388 53.436 54.000 -0.293 0.000 0.869 551 D CB 1.455 41.925 40.800 -0.550 0.000 1.663 551 D HN -0.162 nan 8.370 nan 0.000 0.557 552 L N 2.819 123.928 121.223 -0.190 0.000 2.093 552 L HA -0.044 4.308 4.340 0.021 0.000 0.208 552 L C 1.542 178.320 176.870 -0.153 0.000 1.085 552 L CA 1.880 56.624 54.840 -0.160 0.000 0.755 552 L CB -0.806 41.191 42.059 -0.104 0.000 0.904 552 L HN 0.618 nan 8.230 nan 0.000 0.435 553 T N 0.345 114.830 114.554 -0.116 0.000 2.821 553 T HA -0.189 4.174 4.350 0.021 0.000 0.267 553 T C 2.006 176.610 174.700 -0.161 0.000 1.046 553 T CA 1.011 63.081 62.100 -0.050 0.000 1.139 553 T CB -0.162 68.773 68.868 0.113 0.000 0.871 553 T HN 0.250 nan 8.240 nan 0.000 0.454 554 L N 0.622 121.547 121.223 -0.497 0.000 2.012 554 L HA -0.148 4.205 4.340 0.021 0.000 0.210 554 L C 2.844 179.481 176.870 -0.388 0.000 1.073 554 L CA 1.684 56.096 54.840 -0.713 0.000 0.748 554 L CB -0.654 40.719 42.059 -1.143 0.000 0.891 554 L HN 0.291 nan 8.230 nan 0.000 0.431 555 A N -0.723 121.889 122.820 -0.347 0.000 1.877 555 A HA -0.281 4.052 4.320 0.021 0.000 0.216 555 A C 2.069 179.553 177.584 -0.166 0.000 1.186 555 A CA 1.773 53.657 52.037 -0.254 0.000 0.620 555 A CB -0.566 18.298 19.000 -0.227 0.000 0.822 555 A HN 0.592 nan 8.150 nan 0.000 0.443 556 Q N -0.749 118.973 119.800 -0.129 0.000 2.050 556 Q HA -0.131 4.221 4.340 0.021 0.000 0.202 556 Q C 2.468 178.437 176.000 -0.051 0.000 0.980 556 Q CA 1.479 57.236 55.803 -0.076 0.000 0.840 556 Q CB -0.402 28.306 28.738 -0.051 0.000 0.898 556 Q HN 0.684 nan 8.270 nan 0.000 0.424 557 A N 0.323 123.121 122.820 -0.037 0.000 1.902 557 A HA -0.137 4.196 4.320 0.021 0.000 0.217 557 A C 2.333 179.917 177.584 0.000 0.000 1.181 557 A CA 1.348 53.390 52.037 0.008 0.000 0.623 557 A CB -0.658 18.377 19.000 0.058 0.000 0.818 557 A HN 0.213 nan 8.150 nan 0.000 0.443 558 V N -0.154 119.735 119.914 -0.043 0.000 2.307 558 V HA -0.230 3.903 4.120 0.021 0.000 0.245 558 V C 3.071 179.134 176.094 -0.051 0.000 1.045 558 V CA 1.839 64.114 62.300 -0.043 0.000 1.024 558 V CB -1.305 30.449 31.823 -0.116 0.000 0.651 558 V HN 0.620 nan 8.190 nan 0.000 0.449 559 A N 0.237 123.014 122.820 -0.073 0.000 1.892 559 A HA -0.348 3.985 4.320 0.021 0.000 0.218 559 A C 2.323 179.887 177.584 -0.033 0.000 1.188 559 A CA 2.620 54.622 52.037 -0.060 0.000 0.631 559 A CB -0.608 18.354 19.000 -0.063 0.000 0.822 559 A HN 0.568 nan 8.150 nan 0.000 0.447 560 K N -0.475 119.912 120.400 -0.020 0.000 2.063 560 K HA -0.197 4.135 4.320 0.021 0.000 0.208 560 K C 1.575 178.179 176.600 0.007 0.000 1.048 560 K CA 1.732 58.017 56.287 -0.003 0.000 0.928 560 K CB -0.233 32.271 32.500 0.007 0.000 0.713 560 K HN 0.449 nan 8.250 nan 0.000 0.442 561 N N 0.621 119.329 118.700 0.014 0.000 2.381 561 N HA -0.106 4.647 4.740 0.021 0.000 0.182 561 N C 1.178 176.693 175.510 0.007 0.000 1.025 561 N CA 0.934 53.999 53.050 0.025 0.000 0.888 561 N CB 0.051 38.566 38.487 0.047 0.000 0.965 561 N HN 0.296 nan 8.380 nan 0.000 0.438 562 L N -0.689 120.526 121.223 -0.013 0.000 2.628 562 L HA 0.278 4.630 4.340 0.021 0.000 0.229 562 L C 0.934 177.793 176.870 -0.018 0.000 1.137 562 L CA -0.155 54.669 54.840 -0.026 0.000 0.909 562 L CB -0.133 41.895 42.059 -0.050 0.000 1.137 562 L HN 0.028 nan 8.230 nan 0.000 0.470 563 G N 1.557 110.352 108.800 -0.009 0.000 2.273 563 G HA2 -0.282 3.691 3.960 0.021 0.000 0.280 563 G HA3 -0.282 3.691 3.960 0.021 0.000 0.280 563 G C -0.047 174.846 174.900 -0.011 0.000 1.047 563 G CA 0.129 45.225 45.100 -0.006 0.000 0.869 563 G HN 0.343 nan 8.290 nan 0.000 0.502 564 I N 0.301 120.861 120.570 -0.017 0.000 2.474 564 I HA 0.439 4.622 4.170 0.021 0.000 0.294 564 I C 0.276 176.379 176.117 -0.023 0.000 1.005 564 I CA -0.971 60.316 61.300 -0.021 0.000 1.113 564 I CB 1.699 39.680 38.000 -0.032 0.000 1.289 564 I HN 0.394 nan 8.210 nan 0.000 0.436 565 E N 7.027 127.215 120.200 -0.020 0.000 2.171 565 E HA 0.548 4.910 4.350 0.021 0.000 0.271 565 E C -1.241 175.342 176.600 -0.029 0.000 0.916 565 E CA -0.826 55.560 56.400 -0.023 0.000 0.774 565 E CB 1.892 31.582 29.700 -0.016 0.000 1.128 565 E HN 0.444 nan 8.360 nan 0.000 0.403 566 L N 2.680 123.880 121.223 -0.039 0.000 2.439 566 L HA 0.160 4.513 4.340 0.021 0.000 0.269 566 L C 1.146 177.992 176.870 -0.039 0.000 1.179 566 L CA -0.455 54.357 54.840 -0.047 0.000 0.828 566 L CB 0.500 42.520 42.059 -0.064 0.000 1.106 566 L HN 0.739 nan 8.230 nan 0.000 0.467 567 T N -2.520 112.011 114.554 -0.039 0.000 2.766 567 T HA 0.040 4.403 4.350 0.021 0.000 0.295 567 T C 0.719 175.395 174.700 -0.040 0.000 1.024 567 T CA -0.641 61.439 62.100 -0.033 0.000 1.018 567 T CB 0.861 69.711 68.868 -0.029 0.000 1.002 567 T HN 0.541 nan 8.240 nan 0.000 0.532 568 D N 0.311 120.692 120.400 -0.033 0.000 2.117 568 D HA -0.070 4.583 4.640 0.021 0.000 0.197 568 D C 1.781 178.055 176.300 -0.044 0.000 0.987 568 D CA 1.054 55.033 54.000 -0.034 0.000 0.829 568 D CB -0.335 40.450 40.800 -0.026 0.000 0.961 568 D HN 0.595 nan 8.370 nan 0.000 0.460 569 D N 0.561 120.935 120.400 -0.043 0.000 2.104 569 D HA -0.148 4.505 4.640 0.021 0.000 0.194 569 D C 2.088 178.339 176.300 -0.082 0.000 0.994 569 D CA 0.902 54.871 54.000 -0.052 0.000 0.830 569 D CB -0.180 40.597 40.800 -0.039 0.000 0.959 569 D HN 0.325 nan 8.370 nan 0.000 0.452 570 Q N -0.118 119.628 119.800 -0.089 0.000 2.084 570 Q HA -0.062 4.290 4.340 0.021 0.000 0.202 570 Q C 2.458 178.376 176.000 -0.136 0.000 0.978 570 Q CA 0.676 56.400 55.803 -0.131 0.000 0.844 570 Q CB -0.084 28.587 28.738 -0.111 0.000 0.898 570 Q HN 0.300 nan 8.270 nan 0.000 0.426 571 L N 0.712 121.877 121.223 -0.096 0.000 2.362 571 L HA -0.139 4.214 4.340 0.021 0.000 0.219 571 L C 1.105 177.926 176.870 -0.082 0.000 1.134 571 L CA 0.455 55.245 54.840 -0.084 0.000 0.807 571 L CB -0.121 41.902 42.059 -0.060 0.000 0.927 571 L HN 0.234 nan 8.230 nan 0.000 0.447 572 N N -0.368 118.282 118.700 -0.083 0.000 2.203 572 N HA 0.219 4.972 4.740 0.021 0.000 0.207 572 N C 0.359 175.814 175.510 -0.090 0.000 1.130 572 N CA 0.009 53.017 53.050 -0.071 0.000 0.861 572 N CB 0.512 38.968 38.487 -0.052 0.000 1.005 572 N HN 0.195 nan 8.380 nan 0.000 0.507 573 I N 1.240 121.726 120.570 -0.141 0.000 2.752 573 I HA -0.108 4.075 4.170 0.021 0.000 0.289 573 I C 1.101 177.138 176.117 -0.132 0.000 1.197 573 I CA 0.620 61.810 61.300 -0.184 0.000 1.432 573 I CB 0.485 38.267 38.000 -0.364 0.000 1.359 573 I HN -0.101 nan 8.210 nan 0.000 0.571 574 T N 8.170 122.672 114.554 -0.086 0.000 2.832 574 T HA 0.282 4.645 4.350 0.021 0.000 0.296 574 T C -2.105 172.569 174.700 -0.043 0.000 0.968 574 T CA -1.471 60.600 62.100 -0.048 0.000 1.107 574 T CB 0.499 69.357 68.868 -0.017 0.000 0.916 574 T HN 0.311 nan 8.240 nan 0.000 0.517 575 P HA 0.218 nan 4.420 nan 0.000 0.267 575 P C -2.463 174.859 177.300 0.036 0.000 1.200 575 P CA -1.203 61.892 63.100 -0.010 0.000 0.772 575 P CB -0.520 31.182 31.700 0.003 0.000 0.855 576 P HA 0.159 nan 4.420 nan 0.000 0.270 576 P C -2.391 174.966 177.300 0.095 0.000 1.223 576 P CA -1.039 62.133 63.100 0.121 0.000 0.785 576 P CB -1.052 30.764 31.700 0.193 0.000 0.923 577 P HA 0.075 nan 4.420 nan 0.000 0.270 577 P C -0.154 177.197 177.300 0.084 0.000 1.223 577 P CA 0.209 63.356 63.100 0.079 0.000 0.785 577 P CB 0.220 31.967 31.700 0.078 0.000 0.923 578 D N -0.308 120.134 120.400 0.069 0.000 2.354 578 D HA 0.060 4.712 4.640 0.021 0.000 0.238 578 D C -0.095 176.253 176.300 0.080 0.000 1.250 578 D CA 0.102 54.141 54.000 0.064 0.000 0.911 578 D CB 0.222 41.053 40.800 0.052 0.000 1.163 578 D HN -0.029 nan 8.370 nan 0.000 0.456 579 V N 1.920 121.873 119.914 0.065 0.000 2.348 579 V HA 0.078 4.211 4.120 0.021 0.000 0.270 579 V C 0.236 176.408 176.094 0.129 0.000 1.037 579 V CA -0.490 61.872 62.300 0.103 0.000 0.872 579 V CB -0.132 31.671 31.823 -0.034 0.000 1.002 579 V HN 0.589 nan 8.190 nan 0.000 0.464 580 N N 4.414 123.203 118.700 0.148 0.000 2.716 580 N HA -0.236 4.517 4.740 0.021 0.000 0.250 580 N C 1.188 176.745 175.510 0.078 0.000 1.033 580 N CA 0.909 54.027 53.050 0.115 0.000 0.727 580 N CB -0.831 37.750 38.487 0.157 0.000 0.950 580 N HN 1.300 nan 8.380 nan 0.000 0.541 581 G N -2.417 106.420 108.800 0.063 0.000 2.189 581 G HA2 -0.334 3.639 3.960 0.021 0.000 0.267 581 G HA3 -0.334 3.639 3.960 0.021 0.000 0.267 581 G C 0.076 175.001 174.900 0.041 0.000 0.975 581 G CA 0.252 45.379 45.100 0.046 0.000 0.644 581 G HN 0.335 nan 8.290 nan 0.000 0.537 582 L N 0.277 121.528 121.223 0.047 0.000 2.416 582 L HA 0.444 4.797 4.340 0.021 0.000 0.272 582 L C 1.441 178.326 176.870 0.024 0.000 1.161 582 L CA 0.156 55.017 54.840 0.035 0.000 0.845 582 L CB 1.233 43.315 42.059 0.037 0.000 1.119 582 L HN 0.008 nan 8.230 nan 0.000 0.464 583 K N 2.727 123.136 120.400 0.014 0.000 2.354 583 K HA 0.162 4.495 4.320 0.021 0.000 0.194 583 K C -0.128 176.467 176.600 -0.009 0.000 1.038 583 K CA 0.248 56.540 56.287 0.009 0.000 1.052 583 K CB 0.398 32.901 32.500 0.004 0.000 0.861 583 K HN 0.745 nan 8.250 nan 0.000 0.535 584 K N -0.604 119.787 120.400 -0.016 0.000 2.870 584 K HA 0.251 4.584 4.320 0.021 0.000 0.290 584 K C -2.086 174.497 176.600 -0.028 0.000 1.070 584 K CA -0.829 55.431 56.287 -0.043 0.000 0.843 584 K CB 0.971 33.425 32.500 -0.076 0.000 1.475 584 K HN -0.239 nan 8.250 nan 0.000 0.359 585 D N 1.374 121.751 120.400 -0.038 0.000 2.478 585 D HA 0.291 4.944 4.640 0.021 0.000 0.240 585 D C -2.103 174.184 176.300 -0.022 0.000 1.364 585 D CA -2.015 51.983 54.000 -0.004 0.000 0.987 585 D CB 2.028 42.849 40.800 0.035 0.000 1.328 585 D HN 0.276 nan 8.370 nan 0.000 0.584 586 P HA -0.093 nan 4.420 nan 0.000 0.225 586 P C 1.202 178.499 177.300 -0.005 0.000 1.148 586 P CA 0.689 63.765 63.100 -0.039 0.000 0.779 586 P CB 0.104 31.787 31.700 -0.028 0.000 0.780 587 S N -0.596 115.134 115.700 0.050 0.000 2.474 587 S HA -0.046 4.437 4.470 0.021 0.000 0.235 587 S C 1.769 176.460 174.600 0.152 0.000 0.997 587 S CA 0.637 58.903 58.200 0.110 0.000 0.949 587 S CB -1.456 61.835 63.200 0.150 0.000 0.766 587 S HN 0.140 nan 8.310 nan 0.000 0.517 588 L N 1.549 122.832 121.223 0.099 0.000 2.478 588 L HA 0.186 4.539 4.340 0.021 0.000 0.223 588 L C 1.453 178.222 176.870 -0.168 0.000 1.140 588 L CA 0.212 55.104 54.840 0.086 0.000 0.842 588 L CB -0.389 41.710 42.059 0.066 0.000 0.953 588 L HN 0.359 nan 8.230 nan 0.000 0.452 589 S N -0.543 115.045 115.700 -0.186 0.000 2.578 589 S HA 0.334 4.817 4.470 0.021 0.000 0.283 589 S C 1.027 175.513 174.600 -0.191 0.000 1.195 589 S CA -0.690 57.341 58.200 -0.282 0.000 1.050 589 S CB 1.630 64.650 63.200 -0.301 0.000 1.012 589 S HN 0.157 nan 8.310 nan 0.000 0.511 590 L N 2.572 123.604 121.223 -0.319 0.000 2.109 590 L HA 0.011 4.364 4.340 0.021 0.000 0.207 590 L C 0.962 177.578 176.870 -0.423 0.000 1.086 590 L CA 1.198 55.756 54.840 -0.471 0.000 0.760 590 L CB -0.289 41.163 42.059 -1.012 0.000 0.910 590 L HN 0.775 nan 8.230 nan 0.000 0.437 591 Y N -2.346 117.953 120.300 -0.003 0.000 2.432 591 Y HA 0.335 4.898 4.550 0.021 0.000 0.252 591 Y C 2.143 178.059 175.900 0.027 0.000 1.097 591 Y CA -0.217 57.922 58.100 0.065 0.000 1.250 591 Y CB -0.561 37.964 38.460 0.109 0.000 1.245 591 Y HN -0.041 nan 8.280 nan 0.000 0.522 592 A N 0.769 123.619 122.820 0.049 0.000 1.903 592 A HA -0.141 4.192 4.320 0.021 0.000 0.219 592 A C 0.930 178.551 177.584 0.063 0.000 1.191 592 A CA 1.382 53.423 52.037 0.006 0.000 0.638 592 A CB -0.661 18.289 19.000 -0.083 0.000 0.823 592 A HN 0.154 nan 8.150 nan 0.000 0.451 593 I N 1.334 121.946 120.570 0.070 0.000 2.337 593 I HA 0.243 4.426 4.170 0.021 0.000 0.285 593 I C -2.447 173.741 176.117 0.118 0.000 1.041 593 I CA -3.202 58.146 61.300 0.080 0.000 1.199 593 I CB 0.221 38.258 38.000 0.061 0.000 1.370 593 I HN 0.091 nan 8.210 nan 0.000 0.470 594 P HA 0.024 nan 4.420 nan 0.000 0.258 594 P C -0.131 177.243 177.300 0.123 0.000 1.172 594 P CA 0.359 63.551 63.100 0.153 0.000 0.762 594 P CB 0.615 32.390 31.700 0.125 0.000 0.764 595 D N 1.119 121.600 120.400 0.134 0.000 2.582 595 D HA 0.124 4.777 4.640 0.021 0.000 0.246 595 D C 0.826 177.182 176.300 0.094 0.000 1.334 595 D CA -0.486 53.575 54.000 0.102 0.000 0.805 595 D CB -0.520 40.338 40.800 0.095 0.000 1.087 595 D HN 0.310 nan 8.370 nan 0.000 0.499 596 G N 0.283 109.149 108.800 0.110 0.000 2.460 596 G HA2 0.276 4.248 3.960 0.021 0.000 0.230 596 G HA3 0.276 4.248 3.960 0.021 0.000 0.230 596 G C -0.480 174.455 174.900 0.059 0.000 1.248 596 G CA 0.272 45.429 45.100 0.094 0.000 0.863 596 G HN 0.253 nan 8.290 nan 0.000 0.549 597 D N 0.251 120.678 120.400 0.046 0.000 2.861 597 D HA 0.135 4.788 4.640 0.021 0.000 0.216 597 D C 0.072 176.382 176.300 0.016 0.000 1.323 597 D CA -0.608 53.405 54.000 0.022 0.000 0.917 597 D CB 1.670 42.477 40.800 0.012 0.000 1.582 597 D HN 0.149 nan 8.370 nan 0.000 0.576 598 V N 3.997 123.913 119.914 0.003 0.000 3.650 598 V HA 0.187 4.320 4.120 0.021 0.000 0.271 598 V C 0.907 176.976 176.094 -0.041 0.000 1.281 598 V CA 0.256 62.552 62.300 -0.007 0.000 1.120 598 V CB -0.359 31.459 31.823 -0.008 0.000 0.856 598 V HN 0.484 nan 8.190 nan 0.000 0.443 599 K N 0.365 120.734 120.400 -0.052 0.000 2.484 599 K HA 0.293 4.626 4.320 0.021 0.000 0.280 599 K C 1.178 177.723 176.600 -0.091 0.000 1.013 599 K CA 1.081 57.313 56.287 -0.092 0.000 1.029 599 K CB 0.183 32.636 32.500 -0.078 0.000 0.902 599 K HN 0.446 nan 8.250 nan 0.000 0.481 600 G N 3.234 111.941 108.800 -0.155 0.000 2.217 600 G HA2 -0.226 3.747 3.960 0.021 0.000 0.246 600 G HA3 -0.226 3.747 3.960 0.021 0.000 0.246 600 G C 0.168 175.077 174.900 0.015 0.000 0.990 600 G CA -0.157 44.908 45.100 -0.058 0.000 0.627 600 G HN 0.580 nan 8.290 nan 0.000 0.522 601 R N -0.109 120.383 120.500 -0.014 0.000 2.822 601 R HA 0.636 4.989 4.340 0.021 0.000 0.277 601 R C 0.148 176.490 176.300 0.069 0.000 1.102 601 R CA 0.178 56.307 56.100 0.049 0.000 1.207 601 R CB 0.601 30.928 30.300 0.044 0.000 1.139 601 R HN 0.758 nan 8.270 nan 0.000 0.557 602 V N 0.136 120.116 119.914 0.111 0.000 2.888 602 V HA 0.442 4.575 4.120 0.021 0.000 0.309 602 V C -1.142 175.018 176.094 0.110 0.000 1.114 602 V CA -0.732 61.651 62.300 0.140 0.000 0.940 602 V CB 2.510 34.444 31.823 0.184 0.000 1.021 602 V HN 0.347 nan 8.190 nan 0.000 0.426 603 V N 5.441 125.414 119.914 0.099 0.000 2.555 603 V HA 0.843 4.976 4.120 0.021 0.000 0.302 603 V C 0.437 176.587 176.094 0.092 0.000 1.038 603 V CA -0.133 62.215 62.300 0.081 0.000 0.887 603 V CB 1.744 33.600 31.823 0.055 0.000 0.991 603 V HN 1.201 nan 8.190 nan 0.000 0.434 604 A N 5.656 128.535 122.820 0.098 0.000 2.301 604 A HA 0.814 5.147 4.320 0.021 0.000 0.298 604 A C -0.530 177.066 177.584 0.020 0.000 1.185 604 A CA -0.339 51.744 52.037 0.078 0.000 0.830 604 A CB 0.177 19.252 19.000 0.126 0.000 1.112 604 A HN 0.770 nan 8.150 nan 0.000 0.508 605 I N 3.736 124.314 120.570 0.013 0.000 2.359 605 I HA 0.193 4.376 4.170 0.021 0.000 0.284 605 I C -0.594 175.531 176.117 0.013 0.000 1.018 605 I CA -0.168 61.142 61.300 0.016 0.000 1.173 605 I CB 1.210 39.231 38.000 0.036 0.000 1.326 605 I HN 0.491 nan 8.210 nan 0.000 0.462 606 L N 7.173 128.391 121.223 -0.008 0.000 2.325 606 L HA 0.378 4.731 4.340 0.021 0.000 0.284 606 L C 0.088 177.047 176.870 0.149 0.000 1.089 606 L CA -0.196 54.687 54.840 0.072 0.000 0.836 606 L CB -0.028 41.960 42.059 -0.118 0.000 1.184 606 L HN 0.460 nan 8.230 nan 0.000 0.444 607 L N 3.489 124.836 121.223 0.206 0.000 2.469 607 L HA 0.405 4.758 4.340 0.021 0.000 0.253 607 L C 0.097 177.103 176.870 0.226 0.000 1.143 607 L CA -0.590 54.319 54.840 0.116 0.000 0.804 607 L CB 1.072 43.101 42.059 -0.050 0.000 1.214 607 L HN 0.699 nan 8.230 nan 0.000 0.476 608 N N -2.263 116.484 118.700 0.078 0.000 2.761 608 N HA 0.203 4.955 4.740 0.021 0.000 0.283 608 N C -0.548 174.922 175.510 -0.066 0.000 1.377 608 N CA -0.777 52.364 53.050 0.152 0.000 0.791 608 N CB 0.594 39.174 38.487 0.154 0.000 1.540 608 N HN 0.524 nan 8.380 nan 0.000 0.539 609 D N -1.588 118.820 120.400 0.013 0.000 2.338 609 D HA 0.012 4.665 4.640 0.021 0.000 0.239 609 D C -0.511 175.754 176.300 -0.059 0.000 1.095 609 D CA 0.555 54.508 54.000 -0.079 0.000 0.888 609 D CB -0.230 40.590 40.800 0.032 0.000 0.899 609 D HN 0.666 nan 8.370 nan 0.000 0.525 610 E N 0.241 120.416 120.200 -0.042 0.000 3.844 610 E HA 0.112 4.475 4.350 0.021 0.000 0.260 610 E C -1.009 175.573 176.600 -0.030 0.000 1.163 610 E CA -0.276 56.103 56.400 -0.035 0.000 1.261 610 E CB 1.485 31.175 29.700 -0.016 0.000 1.261 610 E HN -0.044 nan 8.360 nan 0.000 0.399 611 V N 1.907 121.796 119.914 -0.043 0.000 2.694 611 V HA -0.045 4.088 4.120 0.021 0.000 0.306 611 V C 0.949 177.025 176.094 -0.031 0.000 1.054 611 V CA 0.539 62.820 62.300 -0.031 0.000 1.161 611 V CB 0.372 32.170 31.823 -0.040 0.000 0.916 611 V HN 0.423 nan 8.190 nan 0.000 0.490 612 R N 4.024 124.507 120.500 -0.029 0.000 2.402 612 R HA 0.044 4.397 4.340 0.021 0.000 0.331 612 R C 1.454 177.732 176.300 -0.037 0.000 1.040 612 R CA 0.553 56.632 56.100 -0.035 0.000 0.980 612 R CB 0.342 30.617 30.300 -0.042 0.000 0.967 612 R HN 0.921 nan 8.270 nan 0.000 0.440 613 S N 3.568 119.248 115.700 -0.033 0.000 2.419 613 S HA -0.226 4.256 4.470 0.021 0.000 0.235 613 S C 1.991 176.572 174.600 -0.032 0.000 1.019 613 S CA 0.796 58.978 58.200 -0.030 0.000 0.982 613 S CB -0.163 63.021 63.200 -0.026 0.000 0.789 613 S HN 0.742 nan 8.310 nan 0.000 0.490 614 A N 2.265 125.063 122.820 -0.037 0.000 1.908 614 A HA -0.142 4.190 4.320 0.021 0.000 0.218 614 A C 1.984 179.536 177.584 -0.054 0.000 1.181 614 A CA 1.799 53.811 52.037 -0.041 0.000 0.627 614 A CB -0.844 18.129 19.000 -0.044 0.000 0.818 614 A HN 0.472 nan 8.150 nan 0.000 0.445 615 D N -0.400 119.958 120.400 -0.070 0.000 2.103 615 D HA -0.073 4.580 4.640 0.021 0.000 0.199 615 D C 1.938 178.205 176.300 -0.056 0.000 0.978 615 D CA 0.620 54.561 54.000 -0.099 0.000 0.829 615 D CB -0.327 40.397 40.800 -0.128 0.000 0.981 615 D HN 0.342 nan 8.370 nan 0.000 0.464 616 L N 0.471 121.673 121.223 -0.035 0.000 2.042 616 L HA -0.153 4.200 4.340 0.021 0.000 0.210 616 L C 2.371 179.238 176.870 -0.005 0.000 1.076 616 L CA 0.876 55.708 54.840 -0.013 0.000 0.749 616 L CB -0.229 41.821 42.059 -0.015 0.000 0.893 616 L HN 0.123 nan 8.230 nan 0.000 0.432 617 L N -0.685 120.531 121.223 -0.012 0.000 2.012 617 L HA -0.239 4.114 4.340 0.021 0.000 0.210 617 L C 2.784 179.654 176.870 0.001 0.000 1.073 617 L CA 1.463 56.300 54.840 -0.006 0.000 0.748 617 L CB -0.638 41.415 42.059 -0.011 0.000 0.891 617 L HN 0.310 nan 8.230 nan 0.000 0.431 618 A N -0.019 122.798 122.820 -0.006 0.000 1.898 618 A HA -0.161 4.172 4.320 0.021 0.000 0.216 618 A C 2.143 179.745 177.584 0.031 0.000 1.181 618 A CA 1.291 53.331 52.037 0.005 0.000 0.620 618 A CB -0.512 18.480 19.000 -0.014 0.000 0.819 618 A HN 0.351 nan 8.150 nan 0.000 0.442 619 I N -0.339 120.252 120.570 0.035 0.000 2.163 619 I HA -0.253 3.930 4.170 0.021 0.000 0.240 619 I C 2.389 178.537 176.117 0.053 0.000 1.081 619 I CA 1.228 62.571 61.300 0.072 0.000 1.353 619 I CB -0.398 37.648 38.000 0.078 0.000 1.054 619 I HN 0.276 nan 8.210 nan 0.000 0.407 620 L N 0.364 121.609 121.223 0.037 0.000 2.083 620 L HA -0.228 4.125 4.340 0.021 0.000 0.209 620 L C 2.604 179.491 176.870 0.027 0.000 1.083 620 L CA 1.424 56.283 54.840 0.033 0.000 0.752 620 L CB -0.583 41.492 42.059 0.027 0.000 0.899 620 L HN 0.215 nan 8.230 nan 0.000 0.433 621 K N -0.025 120.389 120.400 0.023 0.000 2.103 621 K HA -0.108 4.225 4.320 0.021 0.000 0.204 621 K C 2.178 178.789 176.600 0.017 0.000 1.052 621 K CA 1.104 57.401 56.287 0.017 0.000 0.945 621 K CB 0.001 32.509 32.500 0.014 0.000 0.722 621 K HN 0.277 nan 8.250 nan 0.000 0.443 622 A N 1.305 124.140 122.820 0.025 0.000 1.898 622 A HA -0.111 4.222 4.320 0.021 0.000 0.216 622 A C 2.069 179.661 177.584 0.013 0.000 1.181 622 A CA 1.003 53.055 52.037 0.025 0.000 0.620 622 A CB -0.511 18.516 19.000 0.044 0.000 0.819 622 A HN 0.199 nan 8.150 nan 0.000 0.442 623 L N -0.630 120.603 121.223 0.017 0.000 1.994 623 L HA -0.221 4.132 4.340 0.021 0.000 0.208 623 L C 2.665 179.522 176.870 -0.022 0.000 1.071 623 L CA 1.982 56.822 54.840 0.000 0.000 0.745 623 L CB -0.463 41.605 42.059 0.016 0.000 0.892 623 L HN 0.403 nan 8.230 nan 0.000 0.431 624 K N 0.861 121.257 120.400 -0.006 0.000 2.103 624 K HA -0.170 4.163 4.320 0.021 0.000 0.207 624 K C 1.893 178.481 176.600 -0.019 0.000 1.048 624 K CA 1.756 58.038 56.287 -0.009 0.000 0.930 624 K CB -0.410 32.098 32.500 0.013 0.000 0.716 624 K HN 0.256 nan 8.250 nan 0.000 0.444 625 A N 0.655 123.468 122.820 -0.012 0.000 1.969 625 A HA -0.081 4.252 4.320 0.021 0.000 0.218 625 A C 1.443 179.012 177.584 -0.024 0.000 1.169 625 A CA 1.422 53.452 52.037 -0.012 0.000 0.635 625 A CB -0.263 18.734 19.000 -0.004 0.000 0.810 625 A HN 0.237 nan 8.150 nan 0.000 0.445 626 K N -1.102 119.278 120.400 -0.034 0.000 2.387 626 K HA 0.216 4.549 4.320 0.021 0.000 0.198 626 K C 0.941 177.494 176.600 -0.079 0.000 1.022 626 K CA 0.608 56.868 56.287 -0.045 0.000 1.128 626 K CB -0.046 32.432 32.500 -0.037 0.000 0.853 626 K HN 0.710 nan 8.250 nan 0.000 0.523 627 G N 1.494 110.232 108.800 -0.104 0.000 2.160 627 G HA2 -0.243 3.730 3.960 0.021 0.000 0.251 627 G HA3 -0.243 3.730 3.960 0.021 0.000 0.251 627 G C 0.127 174.820 174.900 -0.345 0.000 1.008 627 G CA 0.230 45.222 45.100 -0.181 0.000 0.724 627 G HN 0.142 nan 8.290 nan 0.000 0.514 628 V N 0.869 120.630 119.914 -0.254 0.000 2.498 628 V HA 0.451 4.584 4.120 0.021 0.000 0.279 628 V C 0.829 176.768 176.094 -0.258 0.000 1.048 628 V CA -0.669 61.474 62.300 -0.262 0.000 0.967 628 V CB 0.976 32.739 31.823 -0.100 0.000 0.988 628 V HN 0.452 nan 8.190 nan 0.000 0.473 629 H N 1.929 121.011 119.070 0.019 0.000 2.505 629 H HA 0.754 5.322 4.556 0.022 0.000 0.355 629 H C 0.213 175.562 175.328 0.035 0.000 1.179 629 H CA 0.084 56.147 56.048 0.025 0.000 1.343 629 H CB 1.233 31.011 29.762 0.027 0.000 1.501 629 H HN 0.854 nan 8.280 nan 0.000 0.569 630 A N 1.232 124.159 122.820 0.178 0.000 2.498 630 A HA 0.587 4.920 4.320 0.021 0.000 0.298 630 A C -1.202 176.439 177.584 0.095 0.000 1.075 630 A CA -1.030 51.074 52.037 0.111 0.000 0.714 630 A CB 1.391 20.438 19.000 0.079 0.000 1.299 630 A HN 0.798 nan 8.150 nan 0.000 0.407 631 K N 1.545 121.994 120.400 0.082 0.000 2.471 631 K HA 0.676 5.008 4.320 0.021 0.000 0.252 631 K C -1.685 174.945 176.600 0.050 0.000 0.938 631 K CA -0.520 55.807 56.287 0.066 0.000 0.796 631 K CB 1.465 34.013 32.500 0.080 0.000 1.161 631 K HN 0.483 nan 8.250 nan 0.000 0.425 632 L N 4.335 125.578 121.223 0.034 0.000 2.283 632 L HA 0.298 4.651 4.340 0.021 0.000 0.287 632 L C -0.779 176.100 176.870 0.015 0.000 1.073 632 L CA -0.957 53.895 54.840 0.020 0.000 0.822 632 L CB 0.221 42.282 42.059 0.004 0.000 1.186 632 L HN 0.493 nan 8.230 nan 0.000 0.436 633 L N 4.541 125.778 121.223 0.024 0.000 2.334 633 L HA 0.606 4.959 4.340 0.021 0.000 0.276 633 L C -0.511 176.335 176.870 -0.040 0.000 1.014 633 L CA -0.296 54.538 54.840 -0.010 0.000 0.815 633 L CB 1.531 43.608 42.059 0.029 0.000 1.268 633 L HN 0.308 nan 8.230 nan 0.000 0.428 634 Y N -0.535 119.411 120.300 -0.590 0.000 2.744 634 Y HA 0.280 4.843 4.550 0.021 0.000 0.330 634 Y C 0.841 175.974 175.900 -1.278 0.000 1.263 634 Y CA -0.859 56.758 58.100 -0.806 0.000 1.065 634 Y CB 1.587 39.862 38.460 -0.310 0.000 1.306 634 Y HN 0.561 nan 8.280 nan 0.000 0.459 635 S N 0.912 115.647 115.700 -1.608 0.000 2.603 635 S HA 0.219 4.702 4.470 0.021 0.000 0.220 635 S C 0.100 174.368 174.600 -0.553 0.000 0.967 635 S CA 0.473 58.113 58.200 -0.933 0.000 0.920 635 S CB -0.336 62.503 63.200 -0.602 0.000 0.773 635 S HN 0.636 nan 8.310 nan 0.000 0.529 636 R N -1.388 118.844 120.500 -0.446 0.000 2.733 636 R HA 0.607 4.960 4.340 0.021 0.000 0.272 636 R C -1.011 175.266 176.300 -0.038 0.000 1.029 636 R CA -1.069 54.933 56.100 -0.164 0.000 0.888 636 R CB 0.496 30.744 30.300 -0.087 0.000 1.251 636 R HN -0.048 nan 8.270 nan 0.000 0.464 637 M N 0.187 119.779 119.600 -0.014 0.000 2.363 637 M HA 0.587 5.080 4.480 0.021 0.000 0.280 637 M C 0.886 177.204 176.300 0.031 0.000 1.182 637 M CA 0.787 56.092 55.300 0.007 0.000 0.974 637 M CB 0.829 33.425 32.600 -0.008 0.000 1.452 637 M HN 1.064 nan 8.290 nan 0.000 0.507 638 G N 1.100 109.911 108.800 0.018 0.000 2.545 638 G HA2 -0.100 3.873 3.960 0.021 0.000 0.211 638 G HA3 -0.100 3.873 3.960 0.021 0.000 0.211 638 G C -1.020 173.881 174.900 0.001 0.000 1.167 638 G CA -0.576 44.532 45.100 0.014 0.000 1.151 638 G HN 0.610 nan 8.290 nan 0.000 0.581 639 E N -1.101 119.093 120.200 -0.009 0.000 2.393 639 E HA 0.623 4.986 4.350 0.021 0.000 0.273 639 E C -0.570 175.981 176.600 -0.082 0.000 0.918 639 E CA -0.534 55.840 56.400 -0.042 0.000 0.773 639 E CB 3.031 32.712 29.700 -0.033 0.000 1.275 639 E HN 1.283 nan 8.360 nan 0.000 0.451 640 V N -1.890 117.941 119.914 -0.139 0.000 2.914 640 V HA 0.756 4.889 4.120 0.021 0.000 0.314 640 V C -0.633 175.386 176.094 -0.125 0.000 1.084 640 V CA -0.627 61.555 62.300 -0.196 0.000 0.963 640 V CB 1.994 33.580 31.823 -0.395 0.000 1.025 640 V HN 0.635 nan 8.190 nan 0.000 0.432 641 T N 2.823 117.315 114.554 -0.102 0.000 2.786 641 T HA 0.783 5.146 4.350 0.021 0.000 0.283 641 T C 0.273 174.935 174.700 -0.065 0.000 0.992 641 T CA 0.208 62.268 62.100 -0.068 0.000 0.954 641 T CB 1.320 70.161 68.868 -0.045 0.000 0.934 641 T HN 1.380 nan 8.240 nan 0.000 0.440 642 A N 2.475 125.261 122.820 -0.056 0.000 2.346 642 A HA 0.360 4.693 4.320 0.021 0.000 0.252 642 A C 1.548 179.111 177.584 -0.035 0.000 1.089 642 A CA -0.318 51.690 52.037 -0.047 0.000 0.797 642 A CB 0.029 19.003 19.000 -0.042 0.000 1.047 642 A HN 0.940 nan 8.150 nan 0.000 0.494 643 D N 0.651 121.032 120.400 -0.031 0.000 2.157 643 D HA -0.264 4.388 4.640 0.021 0.000 0.191 643 D C 0.733 177.019 176.300 -0.022 0.000 1.004 643 D CA 1.948 55.933 54.000 -0.025 0.000 0.854 643 D CB -0.547 40.239 40.800 -0.023 0.000 0.936 643 D HN 0.649 nan 8.370 nan 0.000 0.446 644 D N -1.463 118.924 120.400 -0.022 0.000 2.324 644 D HA 0.174 4.827 4.640 0.021 0.000 0.235 644 D C 1.661 177.950 176.300 -0.018 0.000 1.095 644 D CA 0.606 54.595 54.000 -0.019 0.000 0.871 644 D CB -0.215 40.574 40.800 -0.018 0.000 0.906 644 D HN 0.529 nan 8.370 nan 0.000 0.522 645 G N -0.528 108.260 108.800 -0.021 0.000 2.175 645 G HA2 -0.258 3.715 3.960 0.021 0.000 0.244 645 G HA3 -0.258 3.715 3.960 0.021 0.000 0.244 645 G C 0.359 175.246 174.900 -0.022 0.000 0.982 645 G CA 0.154 45.242 45.100 -0.020 0.000 0.641 645 G HN 0.428 nan 8.290 nan 0.000 0.527 646 T N 1.457 115.997 114.554 -0.024 0.000 2.817 646 T HA 0.406 4.768 4.350 0.021 0.000 0.295 646 T C 0.675 175.356 174.700 -0.032 0.000 0.958 646 T CA 0.076 62.162 62.100 -0.024 0.000 1.157 646 T CB 1.973 70.827 68.868 -0.023 0.000 0.898 646 T HN 0.422 nan 8.240 nan 0.000 0.536 647 V N 5.906 125.803 119.914 -0.028 0.000 2.389 647 V HA 0.175 4.308 4.120 0.021 0.000 0.264 647 V C -0.129 175.943 176.094 -0.036 0.000 1.049 647 V CA -0.676 61.604 62.300 -0.034 0.000 0.932 647 V CB 0.494 32.302 31.823 -0.025 0.000 1.011 647 V HN 0.559 nan 8.190 nan 0.000 0.475 648 L N 9.426 130.618 121.223 -0.051 0.000 2.262 648 L HA 0.497 4.849 4.340 0.021 0.000 0.288 648 L C -2.009 174.830 176.870 -0.052 0.000 1.035 648 L CA -2.566 52.243 54.840 -0.051 0.000 0.820 648 L CB 1.259 43.277 42.059 -0.070 0.000 1.204 648 L HN 0.408 nan 8.230 nan 0.000 0.424 649 P HA 0.231 nan 4.420 nan 0.000 0.276 649 P C -0.393 176.894 177.300 -0.021 0.000 1.230 649 P CA -0.200 62.887 63.100 -0.022 0.000 0.776 649 P CB 1.066 32.760 31.700 -0.010 0.000 0.888 650 I N 2.339 122.899 120.570 -0.016 0.000 2.331 650 I HA 0.216 4.399 4.170 0.021 0.000 0.292 650 I C 1.636 177.753 176.117 -0.000 0.000 0.998 650 I CA -0.462 60.833 61.300 -0.008 0.000 1.267 650 I CB 1.449 39.453 38.000 0.007 0.000 1.386 650 I HN 0.358 nan 8.210 nan 0.000 0.476 651 A N 5.339 128.162 122.820 0.004 0.000 1.872 651 A HA 0.471 4.804 4.320 0.021 0.000 0.214 651 A C 1.015 178.605 177.584 0.011 0.000 1.187 651 A CA 1.460 53.505 52.037 0.012 0.000 0.614 651 A CB -0.049 18.966 19.000 0.025 0.000 0.826 651 A HN 0.832 nan 8.150 nan 0.000 0.442 652 A N -2.435 120.386 122.820 0.002 0.000 2.586 652 A HA 0.569 4.901 4.320 0.021 0.000 0.291 652 A C -0.031 177.524 177.584 -0.050 0.000 1.062 652 A CA 0.072 52.108 52.037 -0.002 0.000 0.666 652 A CB -0.206 18.816 19.000 0.036 0.000 1.281 652 A HN 0.820 nan 8.150 nan 0.000 0.421 653 T N -1.488 113.026 114.554 -0.067 0.000 2.824 653 T HA 0.573 4.936 4.350 0.021 0.000 0.277 653 T C 1.021 175.689 174.700 -0.053 0.000 0.975 653 T CA 0.077 62.066 62.100 -0.186 0.000 0.966 653 T CB 0.088 68.863 68.868 -0.154 0.000 1.054 653 T HN 0.452 nan 8.240 nan 0.000 0.533 654 F N 0.521 120.497 119.950 0.043 0.000 2.069 654 F HA -0.024 4.516 4.527 0.021 0.000 0.298 654 F C 3.072 179.004 175.800 0.220 0.000 1.113 654 F CA 1.029 59.111 58.000 0.137 0.000 1.214 654 F CB -0.776 38.281 39.000 0.094 0.000 0.978 654 F HN 0.687 nan 8.300 nan 0.000 0.474 655 A N 0.367 123.363 122.820 0.294 0.000 1.969 655 A HA -0.039 4.294 4.320 0.021 0.000 0.218 655 A C 2.408 180.061 177.584 0.115 0.000 1.169 655 A CA 1.637 53.775 52.037 0.167 0.000 0.635 655 A CB -1.497 17.556 19.000 0.088 0.000 0.810 655 A HN 0.425 nan 8.150 nan 0.000 0.445 656 G N -1.034 107.824 108.800 0.096 0.000 2.421 656 G HA2 0.282 4.255 3.960 0.021 0.000 0.217 656 G HA3 0.282 4.255 3.960 0.021 0.000 0.217 656 G C 0.664 175.615 174.900 0.086 0.000 1.143 656 G CA 0.949 46.087 45.100 0.063 0.000 0.784 656 G HN 1.091 nan 8.290 nan 0.000 0.541 657 A N 1.034 123.944 122.820 0.150 0.000 3.030 657 A HA 0.689 5.021 4.320 0.021 0.000 0.335 657 A C -2.627 175.118 177.584 0.268 0.000 1.089 657 A CA -1.188 50.950 52.037 0.169 0.000 0.807 657 A CB 1.252 20.349 19.000 0.161 0.000 1.099 657 A HN 0.115 nan 8.150 nan 0.000 0.474 658 P HA 0.056 nan 4.420 nan 0.000 0.271 658 P C 1.338 178.476 177.300 -0.270 0.000 1.233 658 P CA 0.278 63.325 63.100 -0.089 0.000 0.789 658 P CB 0.788 32.421 31.700 -0.112 0.000 0.951 659 S N 0.787 115.966 115.700 -0.868 0.000 2.419 659 S HA -0.160 4.323 4.470 0.021 0.000 0.235 659 S C 1.874 176.347 174.600 -0.211 0.000 1.019 659 S CA 1.042 58.905 58.200 -0.562 0.000 0.982 659 S CB -1.353 61.414 63.200 -0.722 0.000 0.789 659 S HN 0.350 nan 8.310 nan 0.000 0.490 660 L N 1.763 122.861 121.223 -0.208 0.000 2.081 660 L HA -0.116 4.236 4.340 0.021 0.000 0.212 660 L C 3.037 179.733 176.870 -0.291 0.000 1.080 660 L CA 1.765 56.471 54.840 -0.223 0.000 0.754 660 L CB -1.382 40.520 42.059 -0.262 0.000 0.893 660 L HN 0.665 nan 8.230 nan 0.000 0.433 661 T N -3.047 111.398 114.554 -0.182 0.000 3.148 661 T HA 0.161 4.524 4.350 0.021 0.000 0.253 661 T C 0.395 175.190 174.700 0.158 0.000 1.134 661 T CA 0.221 62.303 62.100 -0.030 0.000 1.051 661 T CB -0.431 68.503 68.868 0.111 0.000 0.959 661 T HN 0.160 nan 8.240 nan 0.000 0.525 662 V N -2.097 117.876 119.914 0.098 0.000 3.113 662 V HA 0.660 4.793 4.120 0.021 0.000 0.316 662 V C -0.263 175.888 176.094 0.095 0.000 1.125 662 V CA -0.981 61.403 62.300 0.140 0.000 1.026 662 V CB 1.973 33.894 31.823 0.162 0.000 1.080 662 V HN 0.033 nan 8.190 nan 0.000 0.444 663 D N 0.947 121.402 120.400 0.091 0.000 2.367 663 D HA 0.634 5.287 4.640 0.021 0.000 0.207 663 D C 0.453 176.748 176.300 -0.008 0.000 1.034 663 D CA 1.261 55.288 54.000 0.046 0.000 0.861 663 D CB 0.853 41.700 40.800 0.078 0.000 0.943 663 D HN 1.118 nan 8.370 nan 0.000 0.515 664 A N -0.282 122.550 122.820 0.020 0.000 2.567 664 A HA 0.548 4.881 4.320 0.021 0.000 0.291 664 A C -1.813 175.794 177.584 0.040 0.000 1.048 664 A CA -0.706 51.329 52.037 -0.004 0.000 0.661 664 A CB 0.934 19.914 19.000 -0.034 0.000 1.288 664 A HN -0.083 nan 8.150 nan 0.000 0.424 665 V N 1.134 121.063 119.914 0.025 0.000 2.604 665 V HA 0.637 4.769 4.120 0.021 0.000 0.305 665 V C -0.577 175.524 176.094 0.012 0.000 1.043 665 V CA -0.280 62.043 62.300 0.038 0.000 0.888 665 V CB 1.573 33.432 31.823 0.060 0.000 0.995 665 V HN 0.692 nan 8.190 nan 0.000 0.429 666 I N 4.005 124.590 120.570 0.024 0.000 2.498 666 I HA 0.523 4.706 4.170 0.021 0.000 0.290 666 I C -0.880 175.272 176.117 0.058 0.000 1.032 666 I CA -0.885 60.455 61.300 0.067 0.000 1.073 666 I CB 2.319 40.387 38.000 0.114 0.000 1.251 666 I HN 0.278 nan 8.210 nan 0.000 0.426 667 V N 7.720 127.689 119.914 0.092 0.000 2.334 667 V HA 0.375 4.508 4.120 0.021 0.000 0.281 667 V C -2.228 173.935 176.094 0.115 0.000 1.016 667 V CA -1.686 60.661 62.300 0.079 0.000 0.832 667 V CB 1.286 33.151 31.823 0.071 0.000 0.999 667 V HN 0.528 nan 8.190 nan 0.000 0.439 668 P HA 0.244 nan 4.420 nan 0.000 0.276 668 P C 0.018 177.336 177.300 0.030 0.000 1.244 668 P CA -0.482 62.636 63.100 0.029 0.000 0.801 668 P CB 0.831 32.538 31.700 0.011 0.000 1.006 669 C N 1.284 120.575 119.300 -0.015 0.000 2.705 669 C HA 0.685 5.158 4.460 0.021 0.000 0.382 669 C C 1.110 176.098 174.990 -0.002 0.000 1.322 669 C CA 1.714 60.726 59.018 -0.010 0.000 2.290 669 C CB -1.255 26.458 27.740 -0.045 0.000 2.650 669 C HN 0.882 nan 8.230 nan 0.000 0.695 670 G N 2.087 110.890 108.800 0.003 0.000 2.398 670 G HA2 0.068 4.041 3.960 0.021 0.000 0.251 670 G HA3 0.068 4.041 3.960 0.021 0.000 0.251 670 G C -0.934 173.972 174.900 0.010 0.000 1.277 670 G CA -0.253 44.849 45.100 0.003 0.000 0.927 670 G HN 0.978 nan 8.290 nan 0.000 0.477 671 N N 1.189 119.900 118.700 0.018 0.000 2.549 671 N HA 0.127 4.880 4.740 0.021 0.000 0.267 671 N C 1.163 176.701 175.510 0.046 0.000 1.182 671 N CA -0.656 52.409 53.050 0.024 0.000 1.019 671 N CB -0.021 38.483 38.487 0.027 0.000 1.380 671 N HN 0.330 nan 8.380 nan 0.000 0.505 672 I N 2.360 122.947 120.570 0.028 0.000 2.493 672 I HA -0.172 4.011 4.170 0.021 0.000 0.254 672 I C 2.354 178.475 176.117 0.008 0.000 1.160 672 I CA 0.646 61.965 61.300 0.031 0.000 1.445 672 I CB -1.385 36.599 38.000 -0.026 0.000 1.086 672 I HN 0.528 nan 8.210 nan 0.000 0.433 673 A N 0.650 123.467 122.820 -0.005 0.000 2.019 673 A HA -0.257 4.075 4.320 0.021 0.000 0.219 673 A C 2.061 179.669 177.584 0.040 0.000 1.164 673 A CA 1.883 53.916 52.037 -0.006 0.000 0.644 673 A CB -0.622 18.373 19.000 -0.009 0.000 0.805 673 A HN 0.415 nan 8.150 nan 0.000 0.449 674 D N 0.510 120.958 120.400 0.079 0.000 2.149 674 D HA -0.154 4.498 4.640 0.021 0.000 0.198 674 D C 1.568 177.963 176.300 0.158 0.000 0.990 674 D CA 1.852 55.927 54.000 0.126 0.000 0.839 674 D CB -0.196 40.707 40.800 0.171 0.000 0.948 674 D HN 0.635 nan 8.370 nan 0.000 0.460 675 I N -3.708 116.977 120.570 0.190 0.000 4.181 675 I HA 0.457 4.640 4.170 0.021 0.000 0.331 675 I C 1.968 178.224 176.117 0.232 0.000 1.312 675 I CA 0.031 61.471 61.300 0.234 0.000 1.146 675 I CB -0.030 38.165 38.000 0.326 0.000 1.074 675 I HN -0.086 nan 8.210 nan 0.000 0.402 676 A N 1.282 124.171 122.820 0.115 0.000 2.131 676 A HA -0.158 4.175 4.320 0.021 0.000 0.220 676 A C 1.550 179.153 177.584 0.032 0.000 1.158 676 A CA 1.880 53.885 52.037 -0.053 0.000 0.665 676 A CB -0.523 18.295 19.000 -0.304 0.000 0.795 676 A HN 0.515 nan 8.150 nan 0.000 0.460 677 D N -0.777 119.655 120.400 0.053 0.000 2.395 677 D HA 0.018 4.671 4.640 0.021 0.000 0.213 677 D C -0.040 176.299 176.300 0.065 0.000 1.110 677 D CA -0.153 53.873 54.000 0.044 0.000 0.835 677 D CB -0.112 40.701 40.800 0.021 0.000 0.965 677 D HN 0.368 nan 8.370 nan 0.000 0.505 678 N N 1.165 119.920 118.700 0.093 0.000 2.401 678 N HA 0.029 4.781 4.740 0.021 0.000 0.255 678 N C 1.372 176.921 175.510 0.064 0.000 1.110 678 N CA -0.022 53.078 53.050 0.083 0.000 0.949 678 N CB 1.422 39.980 38.487 0.118 0.000 1.110 678 N HN -0.025 nan 8.380 nan 0.000 0.490 679 G N 3.540 112.375 108.800 0.059 0.000 2.505 679 G HA2 -0.297 3.675 3.960 0.021 0.000 0.220 679 G HA3 -0.297 3.675 3.960 0.021 0.000 0.220 679 G C 0.991 175.935 174.900 0.074 0.000 1.145 679 G CA 0.696 45.832 45.100 0.059 0.000 0.761 679 G HN 0.605 nan 8.290 nan 0.000 0.571 680 D N 0.766 121.213 120.400 0.078 0.000 2.144 680 D HA 0.005 4.658 4.640 0.021 0.000 0.199 680 D C 2.817 179.080 176.300 -0.062 0.000 0.984 680 D CA 1.172 55.242 54.000 0.117 0.000 0.834 680 D CB -0.450 40.494 40.800 0.240 0.000 0.955 680 D HN 0.323 nan 8.370 nan 0.000 0.465 681 A N 1.263 123.879 122.820 -0.341 0.000 1.858 681 A HA -0.187 4.145 4.320 0.021 0.000 0.216 681 A C 2.023 179.368 177.584 -0.398 0.000 1.190 681 A CA 1.317 52.904 52.037 -0.751 0.000 0.617 681 A CB -0.568 18.074 19.000 -0.597 0.000 0.827 681 A HN 0.168 nan 8.150 nan 0.000 0.443 682 N N -1.488 117.132 118.700 -0.134 0.000 2.084 682 N HA -0.207 4.546 4.740 0.021 0.000 0.190 682 N C 1.763 177.233 175.510 -0.066 0.000 1.030 682 N CA 1.878 54.896 53.050 -0.054 0.000 0.849 682 N CB -0.505 38.043 38.487 0.102 0.000 1.012 682 N HN 0.651 nan 8.380 nan 0.000 0.423 683 Y N 0.974 121.224 120.300 -0.084 0.000 2.165 683 Y HA -0.319 4.244 4.550 0.021 0.000 0.286 683 Y C 2.443 178.285 175.900 -0.095 0.000 1.155 683 Y CA 1.503 59.556 58.100 -0.079 0.000 1.164 683 Y CB -0.539 37.885 38.460 -0.059 0.000 0.978 683 Y HN 0.044 nan 8.280 nan 0.000 0.513 684 Y N 0.393 120.571 120.300 -0.203 0.000 2.102 684 Y HA -0.343 4.220 4.550 0.021 0.000 0.280 684 Y C 2.123 177.826 175.900 -0.329 0.000 1.178 684 Y CA 2.299 60.250 58.100 -0.249 0.000 1.146 684 Y CB -0.574 37.732 38.460 -0.256 0.000 0.968 684 Y HN 0.153 nan 8.280 nan 0.000 0.504 685 L N -1.293 119.845 121.223 -0.142 0.000 2.156 685 L HA -0.228 4.124 4.340 0.021 0.000 0.208 685 L C 2.386 179.128 176.870 -0.214 0.000 1.095 685 L CA 1.225 55.963 54.840 -0.170 0.000 0.770 685 L CB -0.488 41.424 42.059 -0.244 0.000 0.914 685 L HN 0.268 nan 8.230 nan 0.000 0.439 686 M N -0.508 118.897 119.600 -0.326 0.000 2.200 686 M HA -0.188 4.304 4.480 0.021 0.000 0.265 686 M C 2.302 178.337 176.300 -0.441 0.000 1.066 686 M CA 1.602 56.700 55.300 -0.338 0.000 1.127 686 M CB -0.226 32.156 32.600 -0.363 0.000 1.379 686 M HN 0.216 nan 8.290 nan 0.000 0.420 687 E N 0.577 120.338 120.200 -0.732 0.000 2.072 687 E HA -0.177 4.186 4.350 0.021 0.000 0.191 687 E C 1.937 178.182 176.600 -0.592 0.000 0.985 687 E CA 1.289 57.236 56.400 -0.755 0.000 0.801 687 E CB 0.002 29.256 29.700 -0.743 0.000 0.750 687 E HN 0.459 nan 8.360 nan 0.000 0.452 688 A N 0.275 122.869 122.820 -0.377 0.000 1.933 688 A HA -0.186 4.147 4.320 0.021 0.000 0.218 688 A C 2.043 179.532 177.584 -0.157 0.000 1.175 688 A CA 1.371 53.281 52.037 -0.212 0.000 0.628 688 A CB -0.912 18.021 19.000 -0.112 0.000 0.814 688 A HN 0.593 nan 8.150 nan 0.000 0.444 689 Y N 0.582 120.732 120.300 -0.251 0.000 2.200 689 Y HA -0.197 4.365 4.550 0.021 0.000 0.290 689 Y C 2.378 178.159 175.900 -0.198 0.000 1.137 689 Y CA 2.307 60.289 58.100 -0.198 0.000 1.163 689 Y CB -0.151 38.206 38.460 -0.172 0.000 0.988 689 Y HN 0.325 nan 8.280 nan 0.000 0.518 690 K N -0.482 119.829 120.400 -0.149 0.000 2.057 690 K HA -0.220 4.112 4.320 0.021 0.000 0.207 690 K C 0.851 177.343 176.600 -0.180 0.000 1.049 690 K CA 2.040 58.205 56.287 -0.204 0.000 0.931 690 K CB -0.450 31.865 32.500 -0.308 0.000 0.714 690 K HN 0.564 nan 8.250 nan 0.000 0.440 691 H N 0.716 119.679 119.070 -0.178 0.000 2.592 691 H HA 0.191 4.760 4.556 0.021 0.000 0.291 691 H C -0.108 175.070 175.328 -0.250 0.000 1.052 691 H CA 0.113 56.050 56.048 -0.186 0.000 1.175 691 H CB -0.030 29.621 29.762 -0.185 0.000 1.378 691 H HN 0.137 nan 8.280 nan 0.000 0.576 692 L N -0.260 120.831 121.223 -0.220 0.000 4.232 692 L HA -0.300 4.053 4.340 0.021 0.000 0.415 692 L C -0.266 176.353 176.870 -0.419 0.000 1.168 692 L CA 0.700 55.315 54.840 -0.375 0.000 0.966 692 L CB -1.705 40.115 42.059 -0.398 0.000 2.052 692 L HN 0.352 nan 8.230 nan 0.000 0.887 693 K N 0.709 120.927 120.400 -0.304 0.000 2.144 693 K HA 0.460 4.793 4.320 0.021 0.000 0.270 693 K C -2.124 174.343 176.600 -0.221 0.000 1.005 693 K CA -1.832 54.296 56.287 -0.266 0.000 0.932 693 K CB 0.659 33.058 32.500 -0.167 0.000 1.021 693 K HN -0.220 nan 8.250 nan 0.000 0.462 694 P HA 0.002 nan 4.420 nan 0.000 0.264 694 P C -0.771 176.465 177.300 -0.107 0.000 1.193 694 P CA 0.533 63.535 63.100 -0.163 0.000 0.763 694 P CB 0.368 31.973 31.700 -0.158 0.000 0.810 695 I N 2.240 122.761 120.570 -0.083 0.000 2.465 695 I HA 0.599 4.782 4.170 0.021 0.000 0.291 695 I C -0.187 175.890 176.117 -0.067 0.000 1.014 695 I CA -0.850 60.423 61.300 -0.045 0.000 1.093 695 I CB 2.105 40.108 38.000 0.006 0.000 1.267 695 I HN 0.267 nan 8.210 nan 0.000 0.431 696 A N 7.834 130.620 122.820 -0.056 0.000 2.335 696 A HA 0.851 5.184 4.320 0.021 0.000 0.304 696 A C -1.061 176.611 177.584 0.145 0.000 1.118 696 A CA -0.435 51.543 52.037 -0.097 0.000 0.757 696 A CB 0.889 19.695 19.000 -0.323 0.000 1.188 696 A HN 0.659 nan 8.150 nan 0.000 0.460 697 L N 2.148 123.509 121.223 0.231 0.000 2.333 697 L HA 0.756 5.109 4.340 0.021 0.000 0.280 697 L C 0.315 177.404 176.870 0.365 0.000 1.004 697 L CA -0.601 54.404 54.840 0.275 0.000 0.820 697 L CB 2.021 44.191 42.059 0.185 0.000 1.247 697 L HN 0.739 nan 8.230 nan 0.000 0.416 698 A N 2.228 125.168 122.820 0.200 0.000 2.304 698 A HA 0.803 5.136 4.320 0.021 0.000 0.323 698 A C 0.735 178.312 177.584 -0.012 0.000 1.195 698 A CA 0.265 52.289 52.037 -0.022 0.000 0.826 698 A CB 1.003 19.832 19.000 -0.286 0.000 1.184 698 A HN 0.999 nan 8.150 nan 0.000 0.496 699 G N 2.390 111.174 108.800 -0.026 0.000 2.660 699 G HA2 -0.381 3.592 3.960 0.021 0.000 0.321 699 G HA3 -0.381 3.592 3.960 0.021 0.000 0.321 699 G C 0.585 175.485 174.900 0.000 0.000 1.246 699 G CA 1.027 46.115 45.100 -0.020 0.000 1.000 699 G HN 0.692 nan 8.290 nan 0.000 0.550 700 D N 1.458 121.852 120.400 -0.010 0.000 2.310 700 D HA 0.226 4.879 4.640 0.021 0.000 0.212 700 D C 2.598 178.887 176.300 -0.019 0.000 0.965 700 D CA 1.593 55.580 54.000 -0.022 0.000 0.879 700 D CB -0.678 40.103 40.800 -0.032 0.000 0.921 700 D HN 0.778 nan 8.370 nan 0.000 0.510 701 A N 0.728 123.575 122.820 0.045 0.000 2.076 701 A HA -0.201 4.132 4.320 0.021 0.000 0.220 701 A C 2.018 179.691 177.584 0.149 0.000 1.160 701 A CA 0.920 53.046 52.037 0.149 0.000 0.653 701 A CB -0.442 18.676 19.000 0.197 0.000 0.801 701 A HN 0.160 nan 8.150 nan 0.000 0.455 702 R N -0.431 120.114 120.500 0.075 0.000 2.293 702 R HA -0.096 4.257 4.340 0.021 0.000 0.219 702 R C 1.726 178.023 176.300 -0.005 0.000 1.091 702 R CA 1.249 57.382 56.100 0.056 0.000 1.004 702 R CB -0.205 30.120 30.300 0.042 0.000 0.865 702 R HN 0.512 nan 8.270 nan 0.000 0.469 703 K N -0.156 120.187 120.400 -0.095 0.000 2.209 703 K HA -0.102 4.231 4.320 0.021 0.000 0.204 703 K C 1.283 177.738 176.600 -0.242 0.000 1.048 703 K CA 1.158 57.328 56.287 -0.195 0.000 0.940 703 K CB -0.047 32.274 32.500 -0.298 0.000 0.729 703 K HN 0.143 nan 8.250 nan 0.000 0.451 704 F N 1.324 121.252 119.950 -0.036 0.000 2.451 704 F HA -0.123 4.417 4.527 0.022 0.000 0.299 704 F C 1.857 177.611 175.800 -0.076 0.000 1.101 704 F CA 0.795 58.761 58.000 -0.056 0.000 1.436 704 F CB -0.010 38.957 39.000 -0.056 0.000 1.074 704 F HN -0.058 nan 8.300 nan 0.000 0.553 705 K N 0.393 120.838 120.400 0.076 0.000 2.074 705 K HA -0.246 4.087 4.320 0.021 0.000 0.209 705 K C 2.344 178.920 176.600 -0.039 0.000 1.048 705 K CA 1.370 57.659 56.287 0.003 0.000 0.926 705 K CB -0.461 32.038 32.500 -0.003 0.000 0.713 705 K HN 0.273 nan 8.250 nan 0.000 0.444 706 A N 0.783 123.582 122.820 -0.034 0.000 1.933 706 A HA -0.171 4.162 4.320 0.021 0.000 0.218 706 A C 2.200 179.757 177.584 -0.045 0.000 1.175 706 A CA 2.062 54.072 52.037 -0.046 0.000 0.628 706 A CB -0.933 18.038 19.000 -0.049 0.000 0.814 706 A HN 0.277 nan 8.150 nan 0.000 0.444 707 T N 0.692 115.242 114.554 -0.007 0.000 2.759 707 T HA -0.126 4.237 4.350 0.021 0.000 0.269 707 T C 1.399 176.039 174.700 -0.101 0.000 1.042 707 T CA 1.672 63.771 62.100 -0.001 0.000 1.140 707 T CB -0.509 68.434 68.868 0.125 0.000 0.864 707 T HN 0.715 nan 8.240 nan 0.000 0.455 708 I N -1.559 118.900 120.570 -0.185 0.000 3.889 708 I HA 0.334 4.517 4.170 0.021 0.000 0.332 708 I C -0.593 175.274 176.117 -0.416 0.000 1.493 708 I CA -0.626 60.423 61.300 -0.418 0.000 1.158 708 I CB -0.065 37.511 38.000 -0.705 0.000 1.117 708 I HN -0.130 nan 8.210 nan 0.000 0.411 709 K N 1.772 122.045 120.400 -0.212 0.000 3.689 709 K HA -0.140 4.193 4.320 0.021 0.000 0.276 709 K C -0.453 176.069 176.600 -0.129 0.000 0.932 709 K CA 0.637 56.842 56.287 -0.137 0.000 0.758 709 K CB -1.836 30.605 32.500 -0.098 0.000 1.500 709 K HN 0.460 nan 8.250 nan 0.000 0.448 710 I N 0.246 120.749 120.570 -0.112 0.000 2.359 710 I HA 0.327 4.510 4.170 0.021 0.000 0.294 710 I C 1.391 177.491 176.117 -0.028 0.000 0.987 710 I CA -1.180 60.083 61.300 -0.061 0.000 1.225 710 I CB 1.136 39.108 38.000 -0.045 0.000 1.366 710 I HN 0.366 nan 8.210 nan 0.000 0.466 711 A N 4.623 127.437 122.820 -0.009 0.000 2.475 711 A HA 0.027 4.359 4.320 0.021 0.000 0.239 711 A C 0.987 178.568 177.584 -0.003 0.000 1.087 711 A CA 0.098 52.132 52.037 -0.005 0.000 0.779 711 A CB 0.019 19.021 19.000 0.003 0.000 1.036 711 A HN 0.777 nan 8.150 nan 0.000 0.506 712 D N -0.450 119.948 120.400 -0.003 0.000 2.117 712 D HA -0.150 4.503 4.640 0.021 0.000 0.197 712 D C 1.920 178.222 176.300 0.003 0.000 0.987 712 D CA 1.720 55.719 54.000 -0.002 0.000 0.829 712 D CB -0.109 40.689 40.800 -0.003 0.000 0.961 712 D HN 0.680 nan 8.370 nan 0.000 0.460 713 Q N -0.148 119.655 119.800 0.004 0.000 2.077 713 Q HA -0.079 4.273 4.340 0.021 0.000 0.206 713 Q C 0.870 176.876 176.000 0.009 0.000 0.989 713 Q CA 1.597 57.404 55.803 0.007 0.000 0.853 713 Q CB -0.042 28.700 28.738 0.007 0.000 0.907 713 Q HN 0.328 nan 8.270 nan 0.000 0.418 714 G N 0.198 109.004 108.800 0.010 0.000 2.498 714 G HA2 -0.148 3.825 3.960 0.021 0.000 0.651 714 G HA3 -0.148 3.825 3.960 0.021 0.000 0.651 714 G C -1.386 173.523 174.900 0.015 0.000 1.284 714 G CA -0.214 44.894 45.100 0.013 0.000 0.950 714 G HN 0.420 nan 8.290 nan 0.000 0.511 715 E N -1.285 118.924 120.200 0.016 0.000 2.390 715 E HA 0.573 4.936 4.350 0.021 0.000 0.280 715 E C -0.675 175.924 176.600 -0.002 0.000 0.992 715 E CA -0.968 55.441 56.400 0.016 0.000 0.790 715 E CB 1.446 31.170 29.700 0.039 0.000 1.248 715 E HN 0.542 nan 8.360 nan 0.000 0.447 716 E N 0.293 120.483 120.200 -0.016 0.000 2.493 716 E HA 0.169 4.532 4.350 0.021 0.000 0.255 716 E C 0.499 177.059 176.600 -0.068 0.000 0.999 716 E CA 1.833 58.208 56.400 -0.042 0.000 0.934 716 E CB 0.411 30.083 29.700 -0.046 0.000 0.940 716 E HN 0.853 nan 8.360 nan 0.000 0.473 717 G N 3.922 112.670 108.800 -0.088 0.000 2.231 717 G HA2 -0.175 3.797 3.960 0.021 0.000 0.206 717 G HA3 -0.175 3.797 3.960 0.021 0.000 0.206 717 G C -0.003 174.845 174.900 -0.087 0.000 0.996 717 G CA -0.409 44.617 45.100 -0.123 0.000 0.645 717 G HN 0.453 nan 8.290 nan 0.000 0.498 718 I N 2.172 122.715 120.570 -0.046 0.000 2.411 718 I HA 0.492 4.675 4.170 0.021 0.000 0.284 718 I C 0.254 176.335 176.117 -0.060 0.000 1.012 718 I CA -1.273 60.011 61.300 -0.026 0.000 1.119 718 I CB 1.343 39.361 38.000 0.031 0.000 1.261 718 I HN -0.097 nan 8.210 nan 0.000 0.448 719 V N 7.276 127.117 119.914 -0.121 0.000 2.432 719 V HA 0.436 4.569 4.120 0.021 0.000 0.275 719 V C 0.197 176.228 176.094 -0.104 0.000 1.043 719 V CA -0.460 61.725 62.300 -0.192 0.000 0.925 719 V CB 1.293 32.856 31.823 -0.432 0.000 0.985 719 V HN 0.866 nan 8.190 nan 0.000 0.466 720 E N 4.344 124.557 120.200 0.021 0.000 2.356 720 E HA 0.899 5.262 4.350 0.021 0.000 0.275 720 E C -0.964 175.773 176.600 0.227 0.000 0.904 720 E CA -0.946 55.557 56.400 0.170 0.000 0.757 720 E CB 2.603 32.364 29.700 0.101 0.000 1.232 720 E HN 0.811 nan 8.360 nan 0.000 0.442 721 A N 1.771 124.754 122.820 0.272 0.000 2.540 721 A HA 0.349 4.682 4.320 0.021 0.000 0.291 721 A C -0.564 177.058 177.584 0.064 0.000 1.083 721 A CA -0.592 51.547 52.037 0.171 0.000 0.650 721 A CB 1.089 20.235 19.000 0.244 0.000 1.292 721 A HN 0.618 nan 8.150 nan 0.000 0.435 722 D N 0.439 120.849 120.400 0.017 0.000 2.219 722 D HA 0.055 4.708 4.640 0.021 0.000 0.205 722 D C 1.019 177.271 176.300 -0.080 0.000 0.970 722 D CA 2.251 56.238 54.000 -0.022 0.000 0.851 722 D CB 0.119 40.908 40.800 -0.017 0.000 0.943 722 D HN 0.814 nan 8.370 nan 0.000 0.488 723 S N -1.727 113.890 115.700 -0.139 0.000 2.625 723 S HA 0.632 5.115 4.470 0.021 0.000 0.271 723 S C -0.749 173.549 174.600 -0.504 0.000 1.161 723 S CA -0.605 57.445 58.200 -0.250 0.000 0.820 723 S CB 1.887 64.993 63.200 -0.157 0.000 1.137 723 S HN -0.056 nan 8.310 nan 0.000 0.470 724 A N 1.614 124.049 122.820 -0.641 0.000 3.197 724 A HA 0.443 4.776 4.320 0.021 0.000 0.263 724 A C 0.370 177.772 177.584 -0.303 0.000 1.524 724 A CA -0.202 51.263 52.037 -0.953 0.000 1.176 724 A CB -1.904 16.653 19.000 -0.738 0.000 1.096 724 A HN 0.897 nan 8.150 nan 0.000 0.655 725 D N -0.428 119.885 120.400 -0.145 0.000 2.169 725 D HA 0.253 4.906 4.640 0.021 0.000 0.253 725 D C 1.503 177.850 176.300 0.078 0.000 1.257 725 D CA 0.316 54.309 54.000 -0.011 0.000 0.976 725 D CB -0.051 40.755 40.800 0.009 0.000 1.195 725 D HN 0.021 nan 8.370 nan 0.000 0.534 726 G N -1.378 107.461 108.800 0.064 0.000 2.394 726 G HA2 -0.253 3.719 3.960 0.021 0.000 0.214 726 G HA3 -0.253 3.719 3.960 0.021 0.000 0.214 726 G C 1.663 176.617 174.900 0.091 0.000 1.176 726 G CA 0.877 46.018 45.100 0.068 0.000 0.786 726 G HN 0.453 nan 8.290 nan 0.000 0.533 727 S N -0.151 115.605 115.700 0.092 0.000 2.356 727 S HA -0.143 4.339 4.470 0.021 0.000 0.223 727 S C 2.054 176.728 174.600 0.124 0.000 1.032 727 S CA 1.504 59.757 58.200 0.088 0.000 1.005 727 S CB -0.450 62.794 63.200 0.075 0.000 0.867 727 S HN 0.363 nan 8.310 nan 0.000 0.449 728 F N 1.903 121.851 119.950 -0.002 0.000 2.091 728 F HA -0.145 4.395 4.527 0.021 0.000 0.299 728 F C 2.114 177.911 175.800 -0.004 0.000 1.103 728 F CA 1.837 59.836 58.000 -0.002 0.000 1.228 728 F CB -0.338 38.662 39.000 -0.000 0.000 0.984 728 F HN 0.210 nan 8.300 nan 0.000 0.477 729 M N 0.135 119.890 119.600 0.258 0.000 2.229 729 M HA -0.163 4.330 4.480 0.021 0.000 0.264 729 M C 1.759 178.066 176.300 0.012 0.000 1.063 729 M CA 1.317 56.689 55.300 0.121 0.000 1.114 729 M CB -1.338 31.352 32.600 0.149 0.000 1.387 729 M HN 0.137 nan 8.290 nan 0.000 0.420 730 D N 0.262 120.673 120.400 0.019 0.000 2.178 730 D HA -0.124 4.529 4.640 0.021 0.000 0.202 730 D C 1.931 178.207 176.300 -0.041 0.000 0.974 730 D CA 1.001 54.997 54.000 -0.006 0.000 0.841 730 D CB -0.018 40.787 40.800 0.008 0.000 0.953 730 D HN 0.466 nan 8.370 nan 0.000 0.478 731 E N 0.319 120.476 120.200 -0.071 0.000 2.072 731 E HA -0.085 4.278 4.350 0.021 0.000 0.190 731 E C 2.063 178.579 176.600 -0.140 0.000 0.982 731 E CA 0.082 56.420 56.400 -0.103 0.000 0.803 731 E CB 0.004 29.632 29.700 -0.119 0.000 0.755 731 E HN 0.105 nan 8.360 nan 0.000 0.453 732 L N 1.073 122.177 121.223 -0.198 0.000 2.012 732 L HA -0.177 4.176 4.340 0.021 0.000 0.210 732 L C 2.044 178.846 176.870 -0.112 0.000 1.073 732 L CA 1.709 56.434 54.840 -0.193 0.000 0.748 732 L CB -0.611 41.301 42.059 -0.245 0.000 0.891 732 L HN 0.249 nan 8.230 nan 0.000 0.431 733 L N -0.520 120.657 121.223 -0.076 0.000 2.131 733 L HA -0.195 4.158 4.340 0.021 0.000 0.210 733 L C 2.424 179.268 176.870 -0.044 0.000 1.092 733 L CA 1.419 56.230 54.840 -0.047 0.000 0.759 733 L CB -0.651 41.391 42.059 -0.028 0.000 0.903 733 L HN 0.265 nan 8.230 nan 0.000 0.435 734 T N -0.050 114.474 114.554 -0.050 0.000 2.857 734 T HA -0.086 4.276 4.350 0.021 0.000 0.266 734 T C 1.934 176.602 174.700 -0.054 0.000 1.048 734 T CA 1.011 63.087 62.100 -0.040 0.000 1.139 734 T CB -0.118 68.727 68.868 -0.039 0.000 0.874 734 T HN 0.186 nan 8.240 nan 0.000 0.455 735 L N 0.324 121.497 121.223 -0.084 0.000 2.083 735 L HA -0.040 4.313 4.340 0.021 0.000 0.209 735 L C 2.655 179.461 176.870 -0.107 0.000 1.083 735 L CA 1.209 55.980 54.840 -0.115 0.000 0.752 735 L CB -0.554 41.418 42.059 -0.145 0.000 0.899 735 L HN 0.284 nan 8.230 nan 0.000 0.433 736 M N -0.647 118.907 119.600 -0.078 0.000 2.213 736 M HA -0.182 4.311 4.480 0.021 0.000 0.263 736 M C 2.452 178.752 176.300 -0.001 0.000 1.062 736 M CA 1.730 57.003 55.300 -0.045 0.000 1.105 736 M CB -0.434 32.148 32.600 -0.030 0.000 1.385 736 M HN 0.336 nan 8.290 nan 0.000 0.417 737 A N 0.101 122.920 122.820 -0.002 0.000 1.969 737 A HA 0.065 4.398 4.320 0.021 0.000 0.218 737 A C 2.081 179.700 177.584 0.058 0.000 1.169 737 A CA 1.614 53.669 52.037 0.029 0.000 0.635 737 A CB -0.607 18.404 19.000 0.019 0.000 0.810 737 A HN 0.490 nan 8.150 nan 0.000 0.445 738 A N -2.228 120.607 122.820 0.025 0.000 2.302 738 A HA 0.351 4.684 4.320 0.021 0.000 0.219 738 A C 0.924 178.528 177.584 0.033 0.000 1.243 738 A CA 1.154 53.218 52.037 0.045 0.000 0.856 738 A CB -0.653 18.338 19.000 -0.014 0.000 0.893 738 A HN 0.941 nan 8.150 nan 0.000 0.491 739 H N -1.000 118.013 119.070 -0.095 0.000 5.079 739 H HA -0.226 4.343 4.556 0.021 0.000 0.060 739 H C 0.162 175.276 175.328 -0.356 0.000 0.559 739 H CA 2.558 58.529 56.048 -0.128 0.000 0.996 739 H CB -0.491 29.291 29.762 0.033 0.000 0.490 739 H HN 0.474 nan 8.280 nan 0.000 0.776 740 R N -0.520 119.453 120.500 -0.877 0.000 2.836 740 R HA 0.587 4.939 4.340 0.021 0.000 0.269 740 R C -0.637 174.848 176.300 -1.358 0.000 1.010 740 R CA -0.294 55.047 56.100 -1.264 0.000 0.930 740 R CB 1.634 30.886 30.300 -1.748 0.000 1.218 740 R HN 0.063 nan 8.270 nan 0.000 0.473 741 V N 2.455 121.785 119.914 -0.974 0.000 2.174 741 V HA 0.093 4.226 4.120 0.021 0.000 0.259 741 V C 0.786 176.515 176.094 -0.609 0.000 1.261 741 V CA -0.456 61.438 62.300 -0.677 0.000 1.137 741 V CB -0.547 31.014 31.823 -0.437 0.000 1.290 741 V HN 0.705 nan 8.190 nan 0.000 0.486 742 W N 1.521 122.548 121.300 -0.455 0.000 2.331 742 W HA -0.244 4.429 4.660 0.021 0.000 0.291 742 W C 2.582 178.890 176.519 -0.352 0.000 1.214 742 W CA 1.049 58.037 57.345 -0.594 0.000 1.228 742 W CB -0.571 28.135 29.460 -1.257 0.000 1.135 742 W HN 0.644 nan 8.180 nan 0.000 0.537 743 S N 0.708 116.356 115.700 -0.087 0.000 2.500 743 S HA -0.171 4.311 4.470 0.021 0.000 0.239 743 S C 1.706 176.268 174.600 -0.064 0.000 0.989 743 S CA 1.045 59.216 58.200 -0.049 0.000 0.951 743 S CB -0.433 62.737 63.200 -0.049 0.000 0.759 743 S HN 0.410 nan 8.310 nan 0.000 0.523 744 R N 0.438 120.860 120.500 -0.130 0.000 2.275 744 R HA 0.259 4.611 4.340 0.021 0.000 0.199 744 R C 1.805 178.044 176.300 -0.101 0.000 0.989 744 R CA 0.434 56.435 56.100 -0.165 0.000 1.016 744 R CB -0.366 29.722 30.300 -0.353 0.000 0.918 744 R HN 0.496 nan 8.270 nan 0.000 0.473 745 I N 1.911 122.464 120.570 -0.028 0.000 2.087 745 I HA -0.284 3.899 4.170 0.021 0.000 0.240 745 I C -0.788 175.360 176.117 0.052 0.000 1.054 745 I CA 1.636 62.963 61.300 0.045 0.000 1.311 745 I CB -1.131 36.943 38.000 0.123 0.000 1.024 745 I HN 0.157 nan 8.210 nan 0.000 0.402 746 P HA -0.159 nan 4.420 nan 0.000 0.219 746 P C 1.281 178.614 177.300 0.055 0.000 1.146 746 P CA 1.488 64.621 63.100 0.056 0.000 0.808 746 P CB -0.025 31.705 31.700 0.050 0.000 0.779 747 K N -0.158 120.271 120.400 0.047 0.000 2.217 747 K HA -0.018 4.314 4.320 0.021 0.000 0.202 747 K C 2.068 178.738 176.600 0.116 0.000 1.051 747 K CA 0.824 57.162 56.287 0.085 0.000 0.952 747 K CB -1.005 31.563 32.500 0.114 0.000 0.736 747 K HN 0.306 nan 8.250 nan 0.000 0.453 748 I N -1.731 118.876 120.570 0.062 0.000 2.500 748 I HA -0.130 4.053 4.170 0.021 0.000 0.252 748 I C 0.834 176.997 176.117 0.076 0.000 1.142 748 I CA 1.265 62.607 61.300 0.071 0.000 1.451 748 I CB -0.284 37.714 38.000 -0.004 0.000 1.093 748 I HN -0.096 nan 8.210 nan 0.000 0.430 749 D N 2.548 122.991 120.400 0.072 0.000 2.248 749 D HA -0.301 4.352 4.640 0.021 0.000 0.189 749 D C 2.036 178.375 176.300 0.065 0.000 1.011 749 D CA 3.006 57.050 54.000 0.073 0.000 0.868 749 D CB -0.222 40.621 40.800 0.071 0.000 0.931 749 D HN 0.639 nan 8.370 nan 0.000 0.449 750 K N 0.482 120.920 120.400 0.063 0.000 2.076 750 K HA 0.025 4.358 4.320 0.021 0.000 0.204 750 K C 0.742 177.370 176.600 0.046 0.000 1.051 750 K CA 0.544 56.862 56.287 0.052 0.000 0.949 750 K CB -0.456 32.072 32.500 0.046 0.000 0.726 750 K HN 0.152 nan 8.250 nan 0.000 0.443 751 I N 4.154 124.755 120.570 0.052 0.000 2.618 751 I HA 0.044 4.227 4.170 0.021 0.000 0.284 751 I C -1.885 174.249 176.117 0.029 0.000 1.146 751 I CA -1.929 59.389 61.300 0.030 0.000 1.425 751 I CB 0.525 38.535 38.000 0.017 0.000 1.383 751 I HN 0.197 nan 8.210 nan 0.000 0.562 752 P HA 0.297 nan 4.420 nan 0.000 0.277 752 P C -0.891 176.439 177.300 0.050 0.000 1.354 752 P CA 0.029 63.153 63.100 0.039 0.000 0.891 752 P CB 0.764 32.487 31.700 0.039 0.000 1.058 753 A N 0.000 122.847 122.820 0.044 0.000 2.254 753 A HA 0.000 4.333 4.320 0.021 0.000 0.244 753 A CA 0.000 52.068 52.037 0.052 0.000 0.836 753 A CB 0.000 18.935 19.000 -0.108 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486