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 1gge_1_D DATA FIRST_RESID 27 DATA SEQUENCE DSLAPEDGSH RPAAEPTPPG AQPTAPGSLK APDTRNEKLN SLEDVRKGSE DATA SEQUENCE NYALTTNQGV RIADDQNSLR AGSRGPTLLE DFILREKITH FDHERIPERI DATA SEQUENCE VHARGSAAHG YFQPYKSLSD ITKADFLSDP NKITPVFVRF STVQGGAGSA DATA SEQUENCE 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 0.000 176.284 176.300 -0.026 0.000 2.045 27 D CA 0.000 53.987 54.000 -0.021 0.000 0.868 27 D CB 0.000 40.786 40.800 -0.023 0.000 0.688 28 S N -0.066 115.613 115.700 -0.035 0.000 4.177 28 S HA -0.025 4.458 4.470 0.022 0.000 0.272 28 S C 0.442 175.006 174.600 -0.061 0.000 0.839 28 S CA -0.022 58.150 58.200 -0.047 0.000 0.936 28 S CB -1.494 61.684 63.200 -0.038 0.000 0.564 28 S HN 0.218 nan 8.310 nan 0.000 0.714 29 L N 0.633 121.812 121.223 -0.072 0.000 2.477 29 L HA 0.411 4.764 4.340 0.022 0.000 0.220 29 L C 1.498 178.293 176.870 -0.126 0.000 1.106 29 L CA 0.691 55.485 54.840 -0.078 0.000 0.851 29 L CB -0.324 41.701 42.059 -0.056 0.000 0.994 29 L HN 0.625 nan 8.230 nan 0.000 0.462 30 A N 1.536 124.228 122.820 -0.214 0.000 2.466 30 A HA 0.343 4.677 4.320 0.022 0.000 0.238 30 A C -1.980 175.447 177.584 -0.261 0.000 1.074 30 A CA -0.886 50.903 52.037 -0.414 0.000 0.774 30 A CB -0.627 17.830 19.000 -0.904 0.000 1.015 30 A HN -0.002 nan 8.150 nan 0.000 0.498 31 P HA 0.102 nan 4.420 nan 0.000 0.268 31 P C 0.204 177.477 177.300 -0.044 0.000 1.204 31 P CA 0.020 63.078 63.100 -0.070 0.000 0.768 31 P CB 0.855 32.557 31.700 0.003 0.000 0.842 32 E N 2.433 122.620 120.200 -0.022 0.000 2.204 32 E HA -0.213 4.150 4.350 0.022 0.000 0.195 32 E C 1.008 177.623 176.600 0.026 0.000 0.990 32 E CA 1.519 57.917 56.400 -0.004 0.000 0.821 32 E CB -0.480 29.217 29.700 -0.006 0.000 0.750 32 E HN 0.470 nan 8.360 nan 0.000 0.477 33 D N -0.946 119.475 120.400 0.036 0.000 2.363 33 D HA 0.019 4.672 4.640 0.022 0.000 0.226 33 D C 1.297 177.646 176.300 0.081 0.000 1.020 33 D CA 0.791 54.819 54.000 0.048 0.000 0.892 33 D CB -0.537 40.285 40.800 0.037 0.000 0.900 33 D HN 0.262 nan 8.370 nan 0.000 0.531 34 G N 0.470 109.359 108.800 0.147 0.000 2.168 34 G HA2 -0.355 3.619 3.960 0.022 0.000 0.257 34 G HA3 -0.355 3.619 3.960 0.022 0.000 0.257 34 G C 0.934 175.934 174.900 0.167 0.000 0.997 34 G CA 0.879 46.118 45.100 0.232 0.000 0.708 34 G HN 0.710 nan 8.290 nan 0.000 0.520 35 S N 0.300 116.101 115.700 0.169 0.000 2.650 35 S HA 0.048 4.531 4.470 0.022 0.000 0.219 35 S C 1.803 176.469 174.600 0.111 0.000 0.960 35 S CA 0.888 59.143 58.200 0.091 0.000 0.925 35 S CB -0.420 62.819 63.200 0.065 0.000 0.775 35 S HN 0.901 nan 8.310 nan 0.000 0.525 36 H N 0.700 119.777 119.070 0.012 0.000 2.535 36 H HA 0.309 4.878 4.556 0.022 0.000 0.273 36 H C 0.713 176.053 175.328 0.020 0.000 0.983 36 H CA 0.123 56.180 56.048 0.014 0.000 1.238 36 H CB -0.243 29.526 29.762 0.012 0.000 1.412 36 H HN 0.328 nan 8.280 nan 0.000 0.562 37 R N 2.711 122.904 120.500 -0.512 0.000 2.338 37 R HA 0.357 4.711 4.340 0.022 0.000 0.317 37 R C -2.654 173.554 176.300 -0.153 0.000 0.968 37 R CA -2.321 53.555 56.100 -0.374 0.000 0.849 37 R CB 0.889 30.849 30.300 -0.566 0.000 1.128 37 R HN 0.080 nan 8.270 nan 0.000 0.448 38 P HA 0.157 nan 4.420 nan 0.000 0.271 38 P C -0.887 176.404 177.300 -0.016 0.000 1.216 38 P CA -0.372 62.716 63.100 -0.020 0.000 0.776 38 P CB 1.053 32.765 31.700 0.020 0.000 0.881 39 A N 2.955 125.771 122.820 -0.005 0.000 2.498 39 A HA 0.381 4.714 4.320 0.022 0.000 0.239 39 A C 0.927 178.519 177.584 0.014 0.000 1.068 39 A CA 0.075 52.113 52.037 0.001 0.000 0.766 39 A CB -0.329 18.675 19.000 0.006 0.000 1.003 39 A HN 0.587 nan 8.150 nan 0.000 0.497 40 A N 2.184 125.012 122.820 0.014 0.000 3.118 40 A HA 0.521 4.854 4.320 0.022 0.000 0.256 40 A C 0.204 177.804 177.584 0.027 0.000 1.667 40 A CA 0.334 52.385 52.037 0.023 0.000 1.338 40 A CB -0.814 18.198 19.000 0.019 0.000 1.127 40 A HN 0.994 nan 8.150 nan 0.000 0.634 41 E N 0.342 120.560 120.200 0.030 0.000 2.392 41 E HA 0.564 4.927 4.350 0.022 0.000 0.279 41 E C -3.279 173.340 176.600 0.033 0.000 0.964 41 E CA -1.833 54.586 56.400 0.031 0.000 0.777 41 E CB 1.426 31.140 29.700 0.023 0.000 1.249 41 E HN 0.030 nan 8.360 nan 0.000 0.449 42 P HA 0.111 nan 4.420 nan 0.000 0.261 42 P C -0.976 176.332 177.300 0.014 0.000 1.183 42 P CA 0.244 63.356 63.100 0.022 0.000 0.761 42 P CB 0.411 32.111 31.700 0.001 0.000 0.785 43 T N 1.014 115.574 114.554 0.010 0.000 2.933 43 T HA 0.590 4.953 4.350 0.022 0.000 0.305 43 T C -3.030 171.649 174.700 -0.034 0.000 1.092 43 T CA -2.641 59.459 62.100 0.002 0.000 1.008 43 T CB 1.690 70.563 68.868 0.008 0.000 1.102 43 T HN 0.039 nan 8.240 nan 0.000 0.469 44 P HA 0.309 nan 4.420 nan 0.000 0.270 44 P C -2.726 174.444 177.300 -0.217 0.000 1.223 44 P CA -1.434 61.538 63.100 -0.213 0.000 0.785 44 P CB -0.997 30.643 31.700 -0.099 0.000 0.923 45 P HA 0.038 nan 4.420 nan 0.000 0.261 45 P C 1.104 178.352 177.300 -0.087 0.000 1.183 45 P CA 1.385 64.377 63.100 -0.180 0.000 0.761 45 P CB -0.294 31.291 31.700 -0.191 0.000 0.785 46 G N 2.919 111.700 108.800 -0.031 0.000 2.225 46 G HA2 -0.347 3.626 3.960 0.022 0.000 0.254 46 G HA3 -0.347 3.626 3.960 0.022 0.000 0.254 46 G C 1.143 176.041 174.900 -0.003 0.000 0.988 46 G CA 0.404 45.500 45.100 -0.007 0.000 0.625 46 G HN 0.678 nan 8.290 nan 0.000 0.527 47 A N -0.885 121.929 122.820 -0.010 0.000 2.014 47 A HA 0.417 4.750 4.320 0.022 0.000 0.218 47 A C 1.314 178.902 177.584 0.007 0.000 1.163 47 A CA 2.052 54.088 52.037 -0.001 0.000 0.652 47 A CB -0.026 18.971 19.000 -0.004 0.000 0.808 47 A HN 0.601 nan 8.150 nan 0.000 0.449 48 Q N -1.011 118.796 119.800 0.012 0.000 2.456 48 Q HA 0.425 4.778 4.340 0.022 0.000 0.284 48 Q C -3.039 172.977 176.000 0.027 0.000 1.061 48 Q CA -2.262 53.551 55.803 0.018 0.000 0.799 48 Q CB 0.607 29.358 28.738 0.022 0.000 1.445 48 Q HN 0.024 nan 8.270 nan 0.000 0.411 49 P HA 0.005 nan 4.420 nan 0.000 0.265 49 P C -0.152 177.181 177.300 0.054 0.000 1.193 49 P CA 0.228 63.344 63.100 0.026 0.000 0.765 49 P CB 0.193 31.905 31.700 0.020 0.000 0.823 50 T N -0.112 114.477 114.554 0.058 0.000 2.813 50 T HA 0.613 4.976 4.350 0.022 0.000 0.297 50 T C 0.022 174.818 174.700 0.160 0.000 1.036 50 T CA -0.500 61.689 62.100 0.148 0.000 1.044 50 T CB 0.785 69.704 68.868 0.083 0.000 0.993 50 T HN 0.565 nan 8.240 nan 0.000 0.535 51 A N 1.653 124.662 122.820 0.316 0.000 2.593 51 A HA 0.783 5.116 4.320 0.022 0.000 0.290 51 A C -3.053 174.788 177.584 0.428 0.000 1.126 51 A CA -2.078 50.117 52.037 0.264 0.000 0.695 51 A CB 0.533 19.631 19.000 0.164 0.000 1.290 51 A HN 0.657 nan 8.150 nan 0.000 0.414 52 P HA 0.092 nan 4.420 nan 0.000 0.263 52 P C 1.249 178.697 177.300 0.247 0.000 1.175 52 P CA 1.066 64.373 63.100 0.346 0.000 0.761 52 P CB 0.526 32.353 31.700 0.210 0.000 0.794 53 G N 2.578 111.486 108.800 0.180 0.000 2.476 53 G HA2 -0.316 3.657 3.960 0.022 0.000 0.218 53 G HA3 -0.316 3.657 3.960 0.022 0.000 0.218 53 G C 1.554 176.468 174.900 0.024 0.000 1.164 53 G CA 1.183 46.300 45.100 0.028 0.000 0.768 53 G HN 0.594 nan 8.290 nan 0.000 0.560 54 S N -0.065 115.652 115.700 0.028 0.000 2.481 54 S HA 0.155 4.638 4.470 0.022 0.000 0.231 54 S C 2.178 176.794 174.600 0.026 0.000 0.996 54 S CA 0.808 59.012 58.200 0.006 0.000 0.942 54 S CB -0.142 63.054 63.200 -0.006 0.000 0.768 54 S HN 0.328 nan 8.310 nan 0.000 0.520 55 L N -0.251 121.003 121.223 0.052 0.000 2.298 55 L HA 0.281 4.634 4.340 0.022 0.000 0.209 55 L C 2.645 179.545 176.870 0.051 0.000 1.084 55 L CA 0.726 55.597 54.840 0.052 0.000 0.816 55 L CB -0.309 41.790 42.059 0.066 0.000 0.967 55 L HN 0.239 nan 8.230 nan 0.000 0.460 56 K N 1.500 121.940 120.400 0.067 0.000 2.062 56 K HA 0.040 4.373 4.320 0.022 0.000 0.205 56 K C 0.710 177.338 176.600 0.046 0.000 1.051 56 K CA 1.301 57.627 56.287 0.066 0.000 0.941 56 K CB 0.114 32.670 32.500 0.093 0.000 0.719 56 K HN 0.138 nan 8.250 nan 0.000 0.440 57 A N 0.867 123.706 122.820 0.033 0.000 3.216 57 A HA 0.358 4.691 4.320 0.022 0.000 0.321 57 A C -2.205 175.383 177.584 0.007 0.000 1.042 57 A CA -1.065 50.988 52.037 0.027 0.000 0.838 57 A CB 0.647 19.668 19.000 0.035 0.000 1.136 57 A HN 0.148 nan 8.150 nan 0.000 0.483 58 P HA -0.125 nan 4.420 nan 0.000 0.220 58 P C 0.198 177.490 177.300 -0.012 0.000 1.148 58 P CA 1.222 64.319 63.100 -0.004 0.000 0.803 58 P CB 0.335 32.037 31.700 0.004 0.000 0.782 59 D N -1.018 119.379 120.400 -0.004 0.000 2.348 59 D HA 0.000 4.654 4.640 0.022 0.000 0.211 59 D C 0.323 176.612 176.300 -0.020 0.000 0.998 59 D CA 0.663 54.658 54.000 -0.009 0.000 0.873 59 D CB -0.541 40.261 40.800 0.004 0.000 0.925 59 D HN 0.117 nan 8.370 nan 0.000 0.524 60 T N 3.008 117.549 114.554 -0.022 0.000 2.738 60 T HA 0.263 4.627 4.350 0.022 0.000 0.294 60 T C 0.465 175.121 174.700 -0.074 0.000 0.914 60 T CA -0.354 61.719 62.100 -0.045 0.000 1.052 60 T CB 0.852 69.695 68.868 -0.043 0.000 0.897 60 T HN -0.155 nan 8.240 nan 0.000 0.522 61 R N 2.978 123.427 120.500 -0.085 0.000 2.888 61 R HA 0.691 5.045 4.340 0.022 0.000 0.266 61 R C -0.313 175.924 176.300 -0.104 0.000 1.020 61 R CA -1.069 54.974 56.100 -0.095 0.000 0.963 61 R CB 1.611 31.863 30.300 -0.080 0.000 1.197 61 R HN 0.810 nan 8.270 nan 0.000 0.481 62 N N -2.584 116.057 118.700 -0.098 0.000 3.020 62 N HA 0.048 4.802 4.740 0.022 0.000 0.248 62 N C 0.180 175.642 175.510 -0.080 0.000 1.480 62 N CA -0.751 52.253 53.050 -0.077 0.000 0.874 62 N CB 0.758 39.227 38.487 -0.031 0.000 1.433 62 N HN 0.538 nan 8.380 nan 0.000 0.530 63 E N -0.224 119.943 120.200 -0.055 0.000 2.085 63 E HA -0.269 4.094 4.350 0.022 0.000 0.194 63 E C 1.044 177.572 176.600 -0.120 0.000 0.994 63 E CA 1.500 57.863 56.400 -0.062 0.000 0.801 63 E CB 0.079 29.767 29.700 -0.020 0.000 0.743 63 E HN 0.500 nan 8.360 nan 0.000 0.453 64 K N 0.659 120.952 120.400 -0.178 0.000 2.031 64 K HA -0.077 4.256 4.320 0.022 0.000 0.205 64 K C 2.120 178.560 176.600 -0.267 0.000 1.049 64 K CA 1.087 57.177 56.287 -0.328 0.000 0.939 64 K CB -0.394 31.729 32.500 -0.628 0.000 0.717 64 K HN 0.157 nan 8.250 nan 0.000 0.438 65 L N 0.937 122.017 121.223 -0.239 0.000 2.042 65 L HA -0.232 4.121 4.340 0.022 0.000 0.210 65 L C 1.880 178.637 176.870 -0.188 0.000 1.076 65 L CA 1.359 56.034 54.840 -0.274 0.000 0.749 65 L CB -0.636 41.256 42.059 -0.280 0.000 0.893 65 L HN 0.270 nan 8.230 nan 0.000 0.432 66 N N -0.327 118.288 118.700 -0.142 0.000 2.188 66 N HA -0.149 4.604 4.740 0.022 0.000 0.184 66 N C 2.060 177.510 175.510 -0.100 0.000 1.018 66 N CA 1.629 54.616 53.050 -0.104 0.000 0.858 66 N CB -0.389 38.050 38.487 -0.080 0.000 0.989 66 N HN 0.384 nan 8.380 nan 0.000 0.426 67 S N 0.309 115.938 115.700 -0.118 0.000 2.474 67 S HA 0.039 4.523 4.470 0.022 0.000 0.235 67 S C 1.800 176.336 174.600 -0.107 0.000 0.997 67 S CA 0.360 58.498 58.200 -0.105 0.000 0.949 67 S CB -0.423 62.707 63.200 -0.117 0.000 0.766 67 S HN 0.239 nan 8.310 nan 0.000 0.517 68 L N 0.699 121.845 121.223 -0.129 0.000 2.554 68 L HA 0.190 4.543 4.340 0.022 0.000 0.226 68 L C 2.621 179.440 176.870 -0.085 0.000 1.137 68 L CA 0.598 55.368 54.840 -0.116 0.000 0.863 68 L CB -0.370 41.602 42.059 -0.146 0.000 0.985 68 L HN 0.288 nan 8.230 nan 0.000 0.451 69 E N 1.021 121.175 120.200 -0.078 0.000 2.160 69 E HA -0.255 4.108 4.350 0.022 0.000 0.195 69 E C 1.712 178.286 176.600 -0.044 0.000 0.991 69 E CA 1.452 57.819 56.400 -0.056 0.000 0.810 69 E CB -0.047 29.623 29.700 -0.049 0.000 0.742 69 E HN 0.553 nan 8.360 nan 0.000 0.466 70 D N -0.477 119.896 120.400 -0.045 0.000 2.263 70 D HA -0.141 4.512 4.640 0.022 0.000 0.208 70 D C 1.611 177.889 176.300 -0.037 0.000 0.971 70 D CA 1.536 55.513 54.000 -0.037 0.000 0.867 70 D CB -0.192 40.586 40.800 -0.037 0.000 0.929 70 D HN 0.313 nan 8.370 nan 0.000 0.492 71 V N -3.508 116.381 119.914 -0.041 0.000 3.605 71 V HA 0.328 4.461 4.120 0.022 0.000 0.284 71 V C 0.937 177.014 176.094 -0.029 0.000 1.386 71 V CA -0.663 61.615 62.300 -0.035 0.000 1.053 71 V CB -0.442 31.359 31.823 -0.037 0.000 0.857 71 V HN -0.171 nan 8.190 nan 0.000 0.436 72 R N 2.056 122.538 120.500 -0.030 0.000 2.537 72 R HA 0.379 4.732 4.340 0.022 0.000 0.280 72 R C -0.113 176.175 176.300 -0.019 0.000 1.058 72 R CA 0.214 56.303 56.100 -0.018 0.000 1.057 72 R CB 0.561 30.851 30.300 -0.017 0.000 0.973 72 R HN 0.361 nan 8.270 nan 0.000 0.438 73 K N 1.315 121.707 120.400 -0.014 0.000 2.376 73 K HA 0.307 4.640 4.320 0.022 0.000 0.257 73 K C -0.106 176.488 176.600 -0.009 0.000 0.939 73 K CA -0.442 55.822 56.287 -0.039 0.000 0.809 73 K CB 1.909 34.374 32.500 -0.057 0.000 1.121 73 K HN 0.752 nan 8.250 nan 0.000 0.425 74 G N 0.528 109.331 108.800 0.005 0.000 2.504 74 G HA2 0.209 4.183 3.960 0.022 0.000 0.257 74 G HA3 0.209 4.183 3.960 0.022 0.000 0.257 74 G C 0.447 175.412 174.900 0.108 0.000 1.451 74 G CA 0.367 45.524 45.100 0.095 0.000 1.059 74 G HN 0.697 nan 8.290 nan 0.000 0.550 75 S N -2.757 113.086 115.700 0.238 0.000 2.501 75 S HA 0.114 4.597 4.470 0.022 0.000 0.250 75 S C 0.246 175.018 174.600 0.286 0.000 0.959 75 S CA -0.134 58.211 58.200 0.242 0.000 1.250 75 S CB -0.002 63.272 63.200 0.123 0.000 0.933 75 S HN 0.507 nan 8.310 nan 0.000 0.420 76 E N 3.088 123.395 120.200 0.178 0.000 2.465 76 E HA 0.213 4.576 4.350 0.022 0.000 0.260 76 E C -0.231 176.336 176.600 -0.055 0.000 0.980 76 E CA 0.370 56.812 56.400 0.070 0.000 0.927 76 E CB 0.039 29.766 29.700 0.045 0.000 0.934 76 E HN 0.412 nan 8.360 nan 0.000 0.459 77 N N 0.627 119.278 118.700 -0.081 0.000 2.828 77 N HA -0.222 4.531 4.740 0.022 0.000 0.248 77 N C -1.078 174.268 175.510 -0.273 0.000 1.044 77 N CA 1.181 54.121 53.050 -0.183 0.000 0.851 77 N CB -1.465 36.873 38.487 -0.249 0.000 1.136 77 N HN 0.383 nan 8.380 nan 0.000 0.572 78 Y N 0.609 120.915 120.300 0.009 0.000 2.419 78 Y HA 0.636 5.199 4.550 0.023 0.000 0.328 78 Y C 0.944 176.846 175.900 0.005 0.000 1.162 78 Y CA -0.509 57.595 58.100 0.007 0.000 1.174 78 Y CB 1.063 39.527 38.460 0.007 0.000 1.228 78 Y HN 0.129 nan 8.280 nan 0.000 0.473 79 A N 2.540 125.475 122.820 0.192 0.000 2.388 79 A HA 0.413 4.746 4.320 0.022 0.000 0.257 79 A C -0.768 176.868 177.584 0.087 0.000 1.095 79 A CA -0.526 51.573 52.037 0.103 0.000 0.791 79 A CB 0.093 19.142 19.000 0.081 0.000 1.029 79 A HN 0.711 nan 8.150 nan 0.000 0.489 80 L N 3.048 124.302 121.223 0.051 0.000 2.410 80 L HA 0.516 4.869 4.340 0.022 0.000 0.273 80 L C 0.631 177.512 176.870 0.019 0.000 1.144 80 L CA 1.145 56.002 54.840 0.028 0.000 0.863 80 L CB 0.329 42.395 42.059 0.012 0.000 1.140 80 L HN 0.920 nan 8.230 nan 0.000 0.463 81 T N 0.380 114.940 114.554 0.010 0.000 2.838 81 T HA 0.685 5.048 4.350 0.022 0.000 0.292 81 T C 0.218 174.923 174.700 0.008 0.000 1.113 81 T CA -0.179 61.930 62.100 0.015 0.000 1.008 81 T CB 0.978 69.857 68.868 0.019 0.000 1.259 81 T HN 0.780 nan 8.240 nan 0.000 0.520 82 T N 0.001 114.575 114.554 0.033 0.000 2.732 82 T HA 0.270 4.633 4.350 0.022 0.000 0.287 82 T C 0.998 175.716 174.700 0.029 0.000 0.993 82 T CA -0.577 61.550 62.100 0.045 0.000 0.966 82 T CB -0.046 68.895 68.868 0.121 0.000 1.047 82 T HN 0.553 nan 8.240 nan 0.000 0.527 83 N N 0.365 119.085 118.700 0.033 0.000 2.459 83 N HA -0.050 4.703 4.740 0.022 0.000 0.181 83 N C 1.531 177.058 175.510 0.029 0.000 1.046 83 N CA 0.523 53.583 53.050 0.016 0.000 0.904 83 N CB -0.138 38.366 38.487 0.028 0.000 0.964 83 N HN 0.549 nan 8.380 nan 0.000 0.444 84 Q N -0.489 119.341 119.800 0.050 0.000 2.320 84 Q HA 0.202 4.555 4.340 0.022 0.000 0.201 84 Q C 0.769 176.791 176.000 0.036 0.000 0.910 84 Q CA 0.156 55.984 55.803 0.042 0.000 0.946 84 Q CB 0.469 29.236 28.738 0.048 0.000 1.062 84 Q HN 0.387 nan 8.270 nan 0.000 0.503 85 G N 0.431 109.252 108.800 0.035 0.000 2.141 85 G HA2 -0.238 3.735 3.960 0.022 0.000 0.242 85 G HA3 -0.238 3.735 3.960 0.022 0.000 0.242 85 G C 0.113 175.040 174.900 0.045 0.000 0.982 85 G CA 0.118 45.234 45.100 0.028 0.000 0.662 85 G HN 0.228 nan 8.290 nan 0.000 0.527 86 V N 1.794 121.750 119.914 0.071 0.000 2.461 86 V HA 0.370 4.503 4.120 0.022 0.000 0.275 86 V C 1.303 177.440 176.094 0.072 0.000 1.047 86 V CA -0.564 61.790 62.300 0.091 0.000 0.955 86 V CB 1.055 32.978 31.823 0.167 0.000 0.988 86 V HN 0.412 nan 8.190 nan 0.000 0.471 87 R N 4.396 124.930 120.500 0.057 0.000 2.623 87 R HA 0.349 4.702 4.340 0.022 0.000 0.271 87 R C -0.512 175.805 176.300 0.028 0.000 1.043 87 R CA -0.002 56.123 56.100 0.040 0.000 1.083 87 R CB 0.471 30.794 30.300 0.037 0.000 0.974 87 R HN 0.578 nan 8.270 nan 0.000 0.436 88 I N 2.016 122.590 120.570 0.008 0.000 2.359 88 I HA 0.145 4.328 4.170 0.022 0.000 0.294 88 I C 0.913 177.020 176.117 -0.016 0.000 0.987 88 I CA -0.059 61.229 61.300 -0.020 0.000 1.225 88 I CB 1.898 39.876 38.000 -0.038 0.000 1.366 88 I HN 0.775 nan 8.210 nan 0.000 0.466 89 A N 4.017 126.823 122.820 -0.023 0.000 1.911 89 A HA 0.011 4.344 4.320 0.022 0.000 0.212 89 A C 0.687 178.256 177.584 -0.026 0.000 1.189 89 A CA 0.943 52.969 52.037 -0.017 0.000 0.639 89 A CB 0.049 19.041 19.000 -0.013 0.000 0.839 89 A HN 0.685 nan 8.150 nan 0.000 0.449 90 D N -0.527 119.850 120.400 -0.039 0.000 2.389 90 D HA 0.315 4.969 4.640 0.022 0.000 0.256 90 D C -1.276 174.991 176.300 -0.054 0.000 1.239 90 D CA -0.369 53.606 54.000 -0.042 0.000 0.925 90 D CB 1.029 41.804 40.800 -0.040 0.000 1.145 90 D HN 0.071 nan 8.370 nan 0.000 0.542 91 D N 1.927 122.299 120.400 -0.047 0.000 2.370 91 D HA 0.048 4.701 4.640 0.022 0.000 0.230 91 D C 0.672 176.940 176.300 -0.052 0.000 1.143 91 D CA 0.280 54.248 54.000 -0.054 0.000 0.834 91 D CB 0.495 41.268 40.800 -0.045 0.000 0.944 91 D HN 0.224 nan 8.370 nan 0.000 0.504 92 Q N -0.660 119.111 119.800 -0.049 0.000 2.280 92 Q HA 0.262 4.615 4.340 0.022 0.000 0.228 92 Q C -0.107 175.863 176.000 -0.049 0.000 0.857 92 Q CA 0.231 56.006 55.803 -0.047 0.000 0.939 92 Q CB 0.756 29.471 28.738 -0.038 0.000 1.114 92 Q HN 0.216 nan 8.270 nan 0.000 0.514 93 N N 0.024 118.692 118.700 -0.053 0.000 2.329 93 N HA 0.324 5.077 4.740 0.022 0.000 0.282 93 N C -0.992 174.483 175.510 -0.058 0.000 1.198 93 N CA -0.266 52.754 53.050 -0.050 0.000 0.790 93 N CB 2.126 40.589 38.487 -0.041 0.000 1.579 93 N HN -0.182 nan 8.380 nan 0.000 0.475 94 S N 0.723 116.392 115.700 -0.053 0.000 2.617 94 S HA 0.304 4.787 4.470 0.022 0.000 0.269 94 S C 0.072 174.644 174.600 -0.046 0.000 1.292 94 S CA -0.584 57.584 58.200 -0.054 0.000 1.010 94 S CB 0.776 63.951 63.200 -0.042 0.000 0.944 94 S HN 0.384 nan 8.310 nan 0.000 0.536 95 L N 3.672 124.866 121.223 -0.048 0.000 2.361 95 L HA 0.391 4.744 4.340 0.022 0.000 0.278 95 L C 0.107 176.966 176.870 -0.018 0.000 1.113 95 L CA 0.440 55.261 54.840 -0.033 0.000 0.849 95 L CB -0.200 41.840 42.059 -0.032 0.000 1.155 95 L HN 0.703 nan 8.230 nan 0.000 0.452 96 R N 4.190 124.682 120.500 -0.014 0.000 2.867 96 R HA 0.868 5.221 4.340 0.022 0.000 0.268 96 R C -1.035 175.263 176.300 -0.004 0.000 1.014 96 R CA -0.860 55.236 56.100 -0.008 0.000 0.946 96 R CB 1.082 31.375 30.300 -0.011 0.000 1.208 96 R HN 0.577 nan 8.270 nan 0.000 0.477 97 A N 1.132 123.951 122.820 -0.001 0.000 2.807 97 A HA 0.587 4.920 4.320 0.022 0.000 0.307 97 A C 0.492 178.076 177.584 -0.001 0.000 1.532 97 A CA 0.278 52.315 52.037 0.001 0.000 1.215 97 A CB -0.901 18.101 19.000 0.003 0.000 1.127 97 A HN 1.175 nan 8.150 nan 0.000 0.543 98 G N 0.857 109.655 108.800 -0.002 0.000 2.650 98 G HA2 0.085 4.058 3.960 0.022 0.000 0.686 98 G HA3 0.085 4.058 3.960 0.022 0.000 0.686 98 G C 0.610 175.506 174.900 -0.006 0.000 1.205 98 G CA 0.090 45.188 45.100 -0.004 0.000 0.781 98 G HN 1.747 nan 8.290 nan 0.000 0.648 99 S N -0.265 115.430 115.700 -0.007 0.000 2.515 99 S HA 0.025 4.508 4.470 0.022 0.000 0.231 99 S C 1.510 176.104 174.600 -0.010 0.000 0.987 99 S CA 1.329 59.523 58.200 -0.010 0.000 0.936 99 S CB 0.075 63.269 63.200 -0.010 0.000 0.766 99 S HN 0.721 nan 8.310 nan 0.000 0.528 100 R N 0.773 121.268 120.500 -0.008 0.000 2.613 100 R HA 0.334 4.687 4.340 0.022 0.000 0.361 100 R C 0.846 177.142 176.300 -0.007 0.000 1.072 100 R CA 0.035 56.130 56.100 -0.008 0.000 1.089 100 R CB 0.817 31.112 30.300 -0.007 0.000 1.343 100 R HN 0.449 nan 8.270 nan 0.000 0.571 101 G N 1.608 110.404 108.800 -0.006 0.000 2.557 101 G HA2 0.378 4.352 3.960 0.022 0.000 0.302 101 G HA3 0.378 4.352 3.960 0.022 0.000 0.302 101 G C -2.431 172.466 174.900 -0.005 0.000 1.311 101 G CA -1.123 43.974 45.100 -0.004 0.000 1.030 101 G HN -0.107 nan 8.290 nan 0.000 0.509 102 P HA 0.204 nan 4.420 nan 0.000 0.275 102 P C -0.148 177.151 177.300 -0.002 0.000 1.228 102 P CA -0.036 63.063 63.100 -0.002 0.000 0.786 102 P CB 0.767 32.468 31.700 0.002 0.000 0.927 103 T N 3.150 117.702 114.554 -0.003 0.000 2.901 103 T HA 0.246 4.609 4.350 0.022 0.000 0.301 103 T C 0.519 175.221 174.700 0.003 0.000 1.012 103 T CA -0.100 61.998 62.100 -0.004 0.000 1.135 103 T CB -0.035 68.828 68.868 -0.008 0.000 0.936 103 T HN 0.186 nan 8.240 nan 0.000 0.539 104 L N 3.676 124.903 121.223 0.006 0.000 2.334 104 L HA 0.310 4.663 4.340 0.022 0.000 0.277 104 L C 1.436 178.321 176.870 0.025 0.000 1.075 104 L CA -0.796 54.054 54.840 0.016 0.000 0.804 104 L CB 0.806 42.876 42.059 0.019 0.000 1.174 104 L HN 0.505 nan 8.230 nan 0.000 0.438 105 L N 2.344 123.586 121.223 0.032 0.000 2.191 105 L HA -0.191 4.162 4.340 0.022 0.000 0.212 105 L C 2.347 179.256 176.870 0.065 0.000 1.103 105 L CA 1.651 56.516 54.840 0.043 0.000 0.769 105 L CB -0.603 41.479 42.059 0.039 0.000 0.908 105 L HN 0.800 nan 8.230 nan 0.000 0.438 106 E N -1.505 118.737 120.200 0.071 0.000 2.516 106 E HA -0.186 4.177 4.350 0.022 0.000 0.199 106 E C 0.235 176.929 176.600 0.157 0.000 1.069 106 E CA 0.308 56.776 56.400 0.115 0.000 0.876 106 E CB -0.539 29.222 29.700 0.103 0.000 0.843 106 E HN 0.386 nan 8.360 nan 0.000 0.530 107 D N 1.199 121.645 120.400 0.077 0.000 2.441 107 D HA -0.051 4.602 4.640 0.022 0.000 0.243 107 D C 0.509 176.818 176.300 0.015 0.000 1.257 107 D CA -0.437 53.561 54.000 -0.004 0.000 1.027 107 D CB -0.181 40.591 40.800 -0.047 0.000 1.084 107 D HN 0.292 nan 8.370 nan 0.000 0.514 108 F N 2.069 122.027 119.950 0.014 0.000 2.325 108 F HA 0.048 4.585 4.527 0.016 0.000 0.299 108 F C 1.645 177.457 175.800 0.020 0.000 1.090 108 F CA 0.186 58.197 58.000 0.019 0.000 1.392 108 F CB -0.643 38.367 39.000 0.018 0.000 1.053 108 F HN 0.184 nan 8.300 nan 0.000 0.521 109 I N 0.461 120.631 120.570 -0.666 0.000 2.163 109 I HA -0.211 3.972 4.170 0.022 0.000 0.240 109 I C 2.514 178.530 176.117 -0.169 0.000 1.081 109 I CA 1.143 62.182 61.300 -0.435 0.000 1.353 109 I CB -0.581 37.100 38.000 -0.531 0.000 1.054 109 I HN 0.274 nan 8.210 nan 0.000 0.407 110 L N 1.149 122.282 121.223 -0.150 0.000 1.990 110 L HA -0.229 4.124 4.340 0.022 0.000 0.213 110 L C 2.650 179.511 176.870 -0.015 0.000 1.072 110 L CA 1.920 56.717 54.840 -0.073 0.000 0.755 110 L CB -0.586 41.435 42.059 -0.063 0.000 0.889 110 L HN 0.062 nan 8.230 nan 0.000 0.432 111 R N -0.641 119.869 120.500 0.017 0.000 2.096 111 R HA -0.185 4.168 4.340 0.022 0.000 0.235 111 R C 2.323 178.679 176.300 0.093 0.000 1.127 111 R CA 1.567 57.706 56.100 0.064 0.000 0.968 111 R CB -0.395 29.958 30.300 0.088 0.000 0.861 111 R HN 0.614 nan 8.270 nan 0.000 0.440 112 E N 1.170 121.430 120.200 0.100 0.000 2.047 112 E HA -0.236 4.128 4.350 0.022 0.000 0.191 112 E C 1.932 178.610 176.600 0.129 0.000 0.987 112 E CA 1.235 57.712 56.400 0.128 0.000 0.799 112 E CB 0.101 29.882 29.700 0.135 0.000 0.752 112 E HN 0.145 nan 8.360 nan 0.000 0.449 113 K N 0.249 120.694 120.400 0.076 0.000 2.032 113 K HA -0.151 4.182 4.320 0.022 0.000 0.209 113 K C 2.131 178.798 176.600 0.112 0.000 1.048 113 K CA 1.467 57.796 56.287 0.069 0.000 0.927 113 K CB -0.042 32.457 32.500 -0.002 0.000 0.712 113 K HN 0.155 nan 8.250 nan 0.000 0.441 114 I N 1.186 121.805 120.570 0.082 0.000 2.353 114 I HA -0.179 4.004 4.170 0.022 0.000 0.248 114 I C 2.133 178.356 176.117 0.177 0.000 1.119 114 I CA 1.299 62.665 61.300 0.110 0.000 1.417 114 I CB -1.421 36.610 38.000 0.051 0.000 1.078 114 I HN 0.244 nan 8.210 nan 0.000 0.421 115 T N -0.230 114.423 114.554 0.164 0.000 2.684 115 T HA -0.230 4.134 4.350 0.022 0.000 0.267 115 T C 1.969 176.809 174.700 0.233 0.000 1.036 115 T CA 1.474 63.694 62.100 0.199 0.000 1.148 115 T CB -0.445 68.549 68.868 0.210 0.000 0.863 115 T HN 0.347 nan 8.240 nan 0.000 0.436 116 H N -0.163 119.003 119.070 0.160 0.000 2.353 116 H HA -0.078 4.491 4.556 0.021 0.000 0.300 116 H C 2.209 177.603 175.328 0.109 0.000 1.090 116 H CA 1.608 57.737 56.048 0.134 0.000 1.327 116 H CB -0.408 29.411 29.762 0.095 0.000 1.383 116 H HN 0.391 nan 8.280 nan 0.000 0.508 117 F N 2.102 122.110 119.950 0.097 0.000 2.095 117 F HA -0.204 4.334 4.527 0.017 0.000 0.298 117 F C 2.016 177.756 175.800 -0.100 0.000 1.104 117 F CA 1.785 59.789 58.000 0.008 0.000 1.232 117 F CB -0.400 38.598 39.000 -0.003 0.000 0.987 117 F HN 0.055 nan 8.300 nan 0.000 0.475 118 D N -1.079 119.255 120.400 -0.109 0.000 2.311 118 D HA -0.159 4.495 4.640 0.022 0.000 0.212 118 D C 1.074 176.956 176.300 -0.697 0.000 0.972 118 D CA 1.254 55.004 54.000 -0.417 0.000 0.887 118 D CB -0.379 40.157 40.800 -0.440 0.000 0.915 118 D HN 0.510 nan 8.370 nan 0.000 0.497 119 H N -0.587 118.371 119.070 -0.187 0.000 2.492 119 H HA 0.230 4.796 4.556 0.017 0.000 0.264 119 H C 0.954 176.126 175.328 -0.261 0.000 1.150 119 H CA -0.140 55.795 56.048 -0.189 0.000 0.962 119 H CB 0.480 30.149 29.762 -0.155 0.000 1.766 119 H HN 0.247 nan 8.280 nan 0.000 0.589 120 E N 0.725 120.762 120.200 -0.272 0.000 2.106 120 E HA -0.044 4.320 4.350 0.022 0.000 0.192 120 E C 0.559 177.004 176.600 -0.259 0.000 0.984 120 E CA 0.562 56.776 56.400 -0.310 0.000 0.806 120 E CB 0.446 29.940 29.700 -0.344 0.000 0.750 120 E HN 0.172 nan 8.360 nan 0.000 0.458 121 R N 1.275 121.678 120.500 -0.161 0.000 2.490 121 R HA 0.312 4.665 4.340 0.022 0.000 0.278 121 R C 0.507 176.844 176.300 0.061 0.000 1.069 121 R CA -0.116 55.964 56.100 -0.034 0.000 1.080 121 R CB 0.493 30.768 30.300 -0.040 0.000 1.030 121 R HN 0.192 nan 8.270 nan 0.000 0.491 122 I N -1.162 119.506 120.570 0.164 0.000 2.846 122 I HA 0.556 4.739 4.170 0.022 0.000 0.307 122 I C -2.256 173.927 176.117 0.111 0.000 1.053 122 I CA -3.025 58.367 61.300 0.152 0.000 1.050 122 I CB 1.880 40.006 38.000 0.211 0.000 1.239 122 I HN 0.237 nan 8.210 nan 0.000 0.439 123 P HA 0.048 nan 4.420 nan 0.000 0.262 123 P C -0.762 176.574 177.300 0.059 0.000 1.182 123 P CA 0.104 63.236 63.100 0.054 0.000 0.761 123 P CB 0.354 32.076 31.700 0.037 0.000 0.795 124 E N 2.968 123.204 120.200 0.061 0.000 2.369 124 E HA 0.196 4.559 4.350 0.022 0.000 0.255 124 E C -0.418 176.213 176.600 0.053 0.000 1.172 124 E CA -0.869 55.572 56.400 0.069 0.000 0.932 124 E CB 0.601 30.347 29.700 0.076 0.000 1.040 124 E HN 0.258 nan 8.360 nan 0.000 0.454 125 R N 0.551 121.089 120.500 0.062 0.000 2.623 125 R HA 0.007 4.360 4.340 0.022 0.000 0.271 125 R C 1.315 177.653 176.300 0.064 0.000 1.043 125 R CA -0.460 55.674 56.100 0.056 0.000 1.083 125 R CB 0.257 30.610 30.300 0.087 0.000 0.974 125 R HN 0.562 nan 8.270 nan 0.000 0.436 126 I N 1.732 122.333 120.570 0.051 0.000 2.208 126 I HA -0.151 4.032 4.170 0.022 0.000 0.245 126 I C 1.230 177.405 176.117 0.097 0.000 1.097 126 I CA 1.570 62.910 61.300 0.067 0.000 1.363 126 I CB -1.074 36.968 38.000 0.069 0.000 1.051 126 I HN 0.399 nan 8.210 nan 0.000 0.413 127 V N -3.215 116.792 119.914 0.156 0.000 3.001 127 V HA 0.514 4.647 4.120 0.022 0.000 0.314 127 V C 0.394 176.667 176.094 0.298 0.000 1.099 127 V CA -0.850 61.575 62.300 0.208 0.000 0.989 127 V CB 1.754 33.776 31.823 0.331 0.000 1.040 127 V HN 0.450 nan 8.190 nan 0.000 0.434 128 H N 0.371 119.512 119.070 0.118 0.000 2.862 128 H HA -0.217 4.352 4.556 0.022 0.000 0.290 128 H C 1.519 176.901 175.328 0.089 0.000 1.211 128 H CA 0.732 56.843 56.048 0.104 0.000 1.140 128 H CB -1.231 28.583 29.762 0.087 0.000 1.341 128 H HN 1.148 nan 8.280 nan 0.000 0.392 129 A N 0.811 123.726 122.820 0.158 0.000 1.972 129 A HA -0.104 4.229 4.320 0.022 0.000 0.219 129 A C 1.690 179.367 177.584 0.155 0.000 1.169 129 A CA 1.322 53.441 52.037 0.136 0.000 0.635 129 A CB -0.080 18.979 19.000 0.098 0.000 0.810 129 A HN 0.288 nan 8.150 nan 0.000 0.446 130 R N 0.164 120.756 120.500 0.153 0.000 2.196 130 R HA 0.507 4.861 4.340 0.022 0.000 0.340 130 R C -0.129 176.299 176.300 0.215 0.000 1.043 130 R CA 0.757 56.965 56.100 0.181 0.000 0.883 130 R CB 0.263 30.654 30.300 0.152 0.000 1.078 130 R HN 0.309 nan 8.270 nan 0.000 0.462 131 G N 0.947 109.901 108.800 0.255 0.000 2.698 131 G HA2 0.513 4.486 3.960 0.022 0.000 0.293 131 G HA3 0.513 4.486 3.960 0.022 0.000 0.293 131 G C -1.603 173.469 174.900 0.286 0.000 1.437 131 G CA -0.627 44.596 45.100 0.206 0.000 0.852 131 G HN 0.497 nan 8.290 nan 0.000 0.499 132 S N -0.968 114.853 115.700 0.202 0.000 2.538 132 S HA 0.886 5.370 4.470 0.022 0.000 0.288 132 S C -0.082 174.543 174.600 0.042 0.000 1.108 132 S CA -0.183 58.192 58.200 0.291 0.000 0.971 132 S CB 1.744 65.225 63.200 0.469 0.000 1.041 132 S HN 1.493 nan 8.310 nan 0.000 0.483 133 A N 1.558 124.363 122.820 -0.026 0.000 2.485 133 A HA 1.046 5.379 4.320 0.022 0.000 0.292 133 A C -0.940 176.464 177.584 -0.300 0.000 1.147 133 A CA -0.757 51.051 52.037 -0.382 0.000 0.750 133 A CB 1.596 20.173 19.000 -0.704 0.000 1.331 133 A HN 1.398 nan 8.150 nan 0.000 0.419 134 A N 0.185 122.647 122.820 -0.597 0.000 2.612 134 A HA 0.688 5.021 4.320 0.022 0.000 0.293 134 A C -1.176 176.201 177.584 -0.345 0.000 1.075 134 A CA -0.658 51.193 52.037 -0.311 0.000 0.680 134 A CB 0.690 19.606 19.000 -0.139 0.000 1.279 134 A HN 0.874 nan 8.150 nan 0.000 0.411 135 H N -0.211 118.874 119.070 0.026 0.000 2.482 135 H HA 0.679 5.248 4.556 0.022 0.000 0.344 135 H C 0.611 175.936 175.328 -0.005 0.000 1.151 135 H CA 0.880 57.002 56.048 0.122 0.000 1.300 135 H CB 1.847 31.682 29.762 0.122 0.000 1.494 135 H HN 1.145 nan 8.280 nan 0.000 0.542 136 G N 0.717 109.611 108.800 0.158 0.000 2.570 136 G HA2 0.376 4.349 3.960 0.022 0.000 0.310 136 G HA3 0.376 4.349 3.960 0.022 0.000 0.310 136 G C -2.072 172.956 174.900 0.213 0.000 1.266 136 G CA -0.705 44.446 45.100 0.085 0.000 0.825 136 G HN 0.624 nan 8.290 nan 0.000 0.483 137 Y N -1.726 118.607 120.300 0.056 0.000 2.571 137 Y HA 0.832 5.395 4.550 0.022 0.000 0.341 137 Y C -1.744 174.292 175.900 0.227 0.000 1.076 137 Y CA -1.937 56.242 58.100 0.131 0.000 1.029 137 Y CB 1.869 40.377 38.460 0.080 0.000 1.308 137 Y HN 0.796 nan 8.280 nan 0.000 0.461 138 F N 2.565 122.660 119.950 0.242 0.000 2.577 138 F HA 0.717 5.257 4.527 0.022 0.000 0.318 138 F C -1.218 174.771 175.800 0.315 0.000 1.065 138 F CA -0.624 57.524 58.000 0.247 0.000 0.929 138 F CB 2.354 41.633 39.000 0.465 0.000 1.237 138 F HN 0.813 nan 8.300 nan 0.000 0.468 139 Q N 6.622 125.829 119.800 -0.988 0.000 2.295 139 Q HA 0.446 4.799 4.340 0.022 0.000 0.268 139 Q C -3.095 172.291 176.000 -1.024 0.000 1.010 139 Q CA -2.186 53.216 55.803 -0.667 0.000 0.856 139 Q CB 3.010 31.666 28.738 -0.137 0.000 1.349 139 Q HN 0.361 nan 8.270 nan 0.000 0.412 140 P HA 0.053 nan 4.420 nan 0.000 0.274 140 P C -0.432 176.716 177.300 -0.254 0.000 1.231 140 P CA 0.086 62.931 63.100 -0.424 0.000 0.790 140 P CB 0.562 32.189 31.700 -0.122 0.000 0.951 141 Y N 0.945 121.186 120.300 -0.099 0.000 2.286 141 Y HA -0.067 4.496 4.550 0.022 0.000 0.293 141 Y C 1.519 177.393 175.900 -0.044 0.000 1.124 141 Y CA 0.556 58.619 58.100 -0.061 0.000 1.178 141 Y CB 0.200 38.632 38.460 -0.047 0.000 1.010 141 Y HN 0.370 nan 8.280 nan 0.000 0.536 142 K N -0.972 119.491 120.400 0.104 0.000 2.533 142 K HA 0.421 4.755 4.320 0.022 0.000 0.272 142 K C -0.877 175.728 176.600 0.008 0.000 0.985 142 K CA -0.950 55.367 56.287 0.051 0.000 0.876 142 K CB 1.644 34.175 32.500 0.051 0.000 1.452 142 K HN -0.236 nan 8.250 nan 0.000 0.439 143 S N 0.932 116.634 115.700 0.004 0.000 2.549 143 S HA 0.157 4.641 4.470 0.022 0.000 0.283 143 S C 0.403 174.992 174.600 -0.019 0.000 1.320 143 S CA -0.626 57.566 58.200 -0.012 0.000 1.058 143 S CB -0.132 63.064 63.200 -0.006 0.000 0.882 143 S HN 0.568 nan 8.310 nan 0.000 0.498 144 L N 4.610 125.810 121.223 -0.038 0.000 2.872 144 L HA 0.178 4.531 4.340 0.022 0.000 0.245 144 L C 1.878 178.730 176.870 -0.029 0.000 1.211 144 L CA -0.195 54.629 54.840 -0.025 0.000 1.013 144 L CB -0.232 41.817 42.059 -0.017 0.000 1.326 144 L HN 0.628 nan 8.230 nan 0.000 0.525 145 S N 0.403 116.083 115.700 -0.032 0.000 2.407 145 S HA -0.202 4.282 4.470 0.022 0.000 0.235 145 S C 1.353 175.936 174.600 -0.029 0.000 1.036 145 S CA 1.584 59.765 58.200 -0.032 0.000 1.013 145 S CB -0.089 63.097 63.200 -0.023 0.000 0.820 145 S HN 0.506 nan 8.310 nan 0.000 0.476 146 D N 1.169 121.557 120.400 -0.020 0.000 2.178 146 D HA -0.045 4.609 4.640 0.022 0.000 0.201 146 D C 1.679 177.961 176.300 -0.029 0.000 0.980 146 D CA 0.967 54.955 54.000 -0.020 0.000 0.842 146 D CB -0.139 40.654 40.800 -0.011 0.000 0.948 146 D HN 0.659 nan 8.370 nan 0.000 0.472 147 I N -4.183 116.370 120.570 -0.028 0.000 4.139 147 I HA 0.245 4.428 4.170 0.022 0.000 0.335 147 I C 0.307 176.382 176.117 -0.071 0.000 1.327 147 I CA -0.036 61.238 61.300 -0.043 0.000 1.112 147 I CB 1.090 39.083 38.000 -0.013 0.000 1.058 147 I HN -0.249 nan 8.210 nan 0.000 0.396 148 T N 1.591 116.105 114.554 -0.067 0.000 3.097 148 T HA 0.297 4.660 4.350 0.022 0.000 0.332 148 T C -0.071 174.575 174.700 -0.090 0.000 1.269 148 T CA -0.688 61.355 62.100 -0.096 0.000 1.076 148 T CB 1.708 70.508 68.868 -0.113 0.000 1.209 148 T HN 0.435 nan 8.240 nan 0.000 0.474 149 K N 2.533 122.879 120.400 -0.090 0.000 2.417 149 K HA 0.579 4.912 4.320 0.022 0.000 0.196 149 K C 0.780 177.342 176.600 -0.065 0.000 1.023 149 K CA -0.304 55.942 56.287 -0.068 0.000 1.122 149 K CB 0.262 32.729 32.500 -0.055 0.000 0.850 149 K HN 0.508 nan 8.250 nan 0.000 0.521 150 A N 2.196 124.953 122.820 -0.105 0.000 2.545 150 A HA -0.074 4.259 4.320 0.022 0.000 0.253 150 A C 0.583 178.125 177.584 -0.069 0.000 1.074 150 A CA 0.140 52.123 52.037 -0.091 0.000 0.760 150 A CB 0.012 18.887 19.000 -0.209 0.000 1.005 150 A HN 0.445 nan 8.150 nan 0.000 0.506 151 D N 2.217 122.651 120.400 0.055 0.000 2.123 151 D HA -0.242 4.412 4.640 0.022 0.000 0.196 151 D C 1.384 177.755 176.300 0.118 0.000 0.992 151 D CA 2.333 56.382 54.000 0.082 0.000 0.833 151 D CB -0.252 40.620 40.800 0.120 0.000 0.954 151 D HN 0.751 nan 8.370 nan 0.000 0.455 152 F N -0.694 119.279 119.950 0.038 0.000 2.494 152 F HA 0.112 4.652 4.527 0.023 0.000 0.298 152 F C 1.157 177.046 175.800 0.149 0.000 1.106 152 F CA 0.478 58.541 58.000 0.105 0.000 1.452 152 F CB -0.220 38.839 39.000 0.099 0.000 1.085 152 F HN -0.031 nan 8.300 nan 0.000 0.569 153 L N 0.593 121.530 121.223 -0.477 0.000 2.808 153 L HA 0.164 4.518 4.340 0.022 0.000 0.246 153 L C 2.066 178.846 176.870 -0.150 0.000 1.153 153 L CA 0.439 55.057 54.840 -0.370 0.000 0.956 153 L CB -0.056 41.650 42.059 -0.589 0.000 1.270 153 L HN 0.320 nan 8.230 nan 0.000 0.528 154 S N -1.982 113.670 115.700 -0.081 0.000 2.496 154 S HA -0.002 4.481 4.470 0.022 0.000 0.224 154 S C 0.415 175.010 174.600 -0.008 0.000 0.996 154 S CA 0.098 58.277 58.200 -0.036 0.000 0.927 154 S CB 0.052 63.244 63.200 -0.012 0.000 0.774 154 S HN 0.394 nan 8.310 nan 0.000 0.524 155 D N 0.299 120.704 120.400 0.008 0.000 2.937 155 D HA 0.333 4.986 4.640 0.022 0.000 0.215 155 D C -2.624 173.688 176.300 0.021 0.000 1.274 155 D CA -1.855 52.156 54.000 0.018 0.000 0.869 155 D CB 1.968 42.785 40.800 0.030 0.000 1.675 155 D HN -0.186 nan 8.370 nan 0.000 0.538 156 P HA -0.051 nan 4.420 nan 0.000 0.222 156 P C 0.461 177.776 177.300 0.024 0.000 1.147 156 P CA 0.704 63.814 63.100 0.016 0.000 0.790 156 P CB 0.378 32.100 31.700 0.036 0.000 0.780 157 N N -0.543 118.177 118.700 0.033 0.000 2.336 157 N HA 0.005 4.759 4.740 0.022 0.000 0.189 157 N C 0.603 176.144 175.510 0.051 0.000 1.113 157 N CA 0.237 53.310 53.050 0.038 0.000 0.858 157 N CB 0.145 38.651 38.487 0.031 0.000 0.970 157 N HN 0.253 nan 8.380 nan 0.000 0.471 158 K N 1.756 122.196 120.400 0.067 0.000 2.284 158 K HA 0.218 4.551 4.320 0.022 0.000 0.287 158 K C -0.473 176.216 176.600 0.149 0.000 1.081 158 K CA -0.215 56.136 56.287 0.106 0.000 0.910 158 K CB 0.524 33.098 32.500 0.122 0.000 1.088 158 K HN -0.100 nan 8.250 nan 0.000 0.478 159 I N 4.020 124.681 120.570 0.151 0.000 2.331 159 I HA 0.130 4.313 4.170 0.022 0.000 0.292 159 I C 0.023 176.307 176.117 0.279 0.000 0.998 159 I CA -0.369 61.054 61.300 0.205 0.000 1.267 159 I CB 1.601 39.669 38.000 0.114 0.000 1.386 159 I HN 0.549 nan 8.210 nan 0.000 0.476 160 T N 7.910 122.718 114.554 0.423 0.000 2.770 160 T HA 0.355 4.718 4.350 0.022 0.000 0.283 160 T C -2.437 172.519 174.700 0.426 0.000 0.988 160 T CA -1.398 60.972 62.100 0.449 0.000 0.957 160 T CB 1.624 70.865 68.868 0.622 0.000 0.930 160 T HN 0.295 nan 8.240 nan 0.000 0.443 161 P HA 0.256 nan 4.420 nan 0.000 0.269 161 P C -0.617 176.915 177.300 0.388 0.000 1.209 161 P CA -0.403 62.884 63.100 0.311 0.000 0.776 161 P CB 0.514 32.315 31.700 0.168 0.000 0.876 162 V N -0.221 119.866 119.914 0.289 0.000 3.102 162 V HA 0.739 4.872 4.120 0.022 0.000 0.312 162 V C -1.396 174.848 176.094 0.250 0.000 1.135 162 V CA -0.969 61.401 62.300 0.117 0.000 1.022 162 V CB 2.298 33.966 31.823 -0.259 0.000 1.056 162 V HN 0.326 nan 8.190 nan 0.000 0.436 163 F N 2.113 122.041 119.950 -0.036 0.000 2.539 163 F HA 0.825 5.365 4.527 0.022 0.000 0.328 163 F C -0.869 174.831 175.800 -0.166 0.000 1.148 163 F CA -0.731 57.195 58.000 -0.123 0.000 0.940 163 F CB 1.795 40.739 39.000 -0.093 0.000 1.194 163 F HN 0.526 nan 8.300 nan 0.000 0.438 164 V N 6.585 126.051 119.914 -0.748 0.000 2.513 164 V HA 0.582 4.715 4.120 0.022 0.000 0.299 164 V C -0.576 174.861 176.094 -1.095 0.000 1.035 164 V CA -0.826 60.956 62.300 -0.864 0.000 0.889 164 V CB 1.927 33.175 31.823 -0.958 0.000 0.988 164 V HN 0.721 nan 8.190 nan 0.000 0.440 165 R N 3.394 123.248 120.500 -1.076 0.000 2.476 165 R HA 0.606 4.959 4.340 0.022 0.000 0.305 165 R C -1.657 174.056 176.300 -0.979 0.000 0.965 165 R CA -0.415 55.160 56.100 -0.875 0.000 0.867 165 R CB 1.136 31.113 30.300 -0.538 0.000 1.176 165 R HN 0.549 nan 8.270 nan 0.000 0.447 166 F N 1.937 121.487 119.950 -0.666 0.000 2.432 166 F HA 0.557 5.097 4.527 0.022 0.000 0.329 166 F C 0.481 175.930 175.800 -0.585 0.000 1.076 166 F CA -0.238 57.244 58.000 -0.864 0.000 1.018 166 F CB 2.160 40.146 39.000 -1.690 0.000 1.201 166 F HN 0.610 nan 8.300 nan 0.000 0.489 167 S N -1.154 114.469 115.700 -0.129 0.000 2.643 167 S HA 0.675 5.158 4.470 0.022 0.000 0.270 167 S C -0.596 174.137 174.600 0.220 0.000 1.166 167 S CA -0.876 57.391 58.200 0.112 0.000 0.815 167 S CB 1.428 64.754 63.200 0.210 0.000 1.139 167 S HN 0.713 nan 8.310 nan 0.000 0.472 168 T N -1.751 112.928 114.554 0.210 0.000 2.902 168 T HA 0.708 5.071 4.350 0.022 0.000 0.287 168 T C 0.731 175.398 174.700 -0.055 0.000 1.048 168 T CA -0.201 61.986 62.100 0.145 0.000 0.941 168 T CB 0.417 69.380 68.868 0.157 0.000 1.432 168 T HN 0.566 nan 8.240 nan 0.000 0.586 169 V N -0.142 119.706 119.914 -0.110 0.000 2.948 169 V HA 0.124 4.257 4.120 0.022 0.000 0.234 169 V C 2.735 178.762 176.094 -0.111 0.000 1.205 169 V CA 0.340 62.455 62.300 -0.307 0.000 1.234 169 V CB -0.216 31.503 31.823 -0.174 0.000 1.020 169 V HN 0.865 nan 8.190 nan 0.000 0.491 170 Q N 1.161 120.930 119.800 -0.051 0.000 2.062 170 Q HA 0.051 4.404 4.340 0.022 0.000 0.196 170 Q C 1.305 177.287 176.000 -0.030 0.000 0.967 170 Q CA 1.350 57.122 55.803 -0.052 0.000 0.832 170 Q CB -0.316 28.377 28.738 -0.075 0.000 0.899 170 Q HN 0.584 nan 8.270 nan 0.000 0.442 171 G N 0.121 108.916 108.800 -0.009 0.000 2.544 171 G HA2 0.341 4.315 3.960 0.022 0.000 0.242 171 G HA3 0.341 4.315 3.960 0.022 0.000 0.242 171 G C 0.204 175.116 174.900 0.020 0.000 1.247 171 G CA 0.120 45.221 45.100 0.002 0.000 0.840 171 G HN 0.338 nan 8.290 nan 0.000 0.578 172 G N -0.641 108.166 108.800 0.012 0.000 2.653 172 G HA2 0.472 4.445 3.960 0.022 0.000 0.265 172 G HA3 0.472 4.445 3.960 0.022 0.000 0.265 172 G C 1.348 176.281 174.900 0.054 0.000 1.237 172 G CA 0.397 45.513 45.100 0.028 0.000 0.946 172 G HN 1.098 nan 8.290 nan 0.000 0.522 173 A N -0.751 122.112 122.820 0.071 0.000 2.019 173 A HA 0.127 4.461 4.320 0.022 0.000 0.219 173 A C 2.233 179.858 177.584 0.069 0.000 1.164 173 A CA 1.971 54.069 52.037 0.101 0.000 0.644 173 A CB -0.373 18.703 19.000 0.128 0.000 0.805 173 A HN 1.107 nan 8.150 nan 0.000 0.449 174 G N -0.209 108.612 108.800 0.035 0.000 3.284 174 G HA2 0.324 4.298 3.960 0.022 0.000 0.236 174 G HA3 0.324 4.298 3.960 0.022 0.000 0.236 174 G C 0.708 175.612 174.900 0.005 0.000 1.158 174 G CA 0.654 45.760 45.100 0.009 0.000 0.774 174 G HN 0.659 nan 8.290 nan 0.000 0.545 175 S N -0.196 115.516 115.700 0.020 0.000 2.655 175 S HA 0.734 5.218 4.470 0.022 0.000 0.265 175 S C 0.461 175.076 174.600 0.025 0.000 1.240 175 S CA -0.077 58.131 58.200 0.014 0.000 0.986 175 S CB 1.618 64.828 63.200 0.016 0.000 0.985 175 S HN 0.545 nan 8.310 nan 0.000 0.562 176 A N 0.258 123.088 122.820 0.016 0.000 2.322 176 A HA 0.430 4.763 4.320 0.022 0.000 0.269 176 A C 0.636 178.242 177.584 0.038 0.000 1.094 176 A CA -0.585 51.458 52.037 0.010 0.000 0.807 176 A CB -0.059 18.929 19.000 -0.020 0.000 1.047 176 A HN 0.875 nan 8.150 nan 0.000 0.487 177 D N 0.440 120.852 120.400 0.020 0.000 2.120 177 D HA -0.067 4.586 4.640 0.022 0.000 0.202 177 D C 1.604 177.891 176.300 -0.022 0.000 0.972 177 D CA 2.256 56.280 54.000 0.041 0.000 0.837 177 D CB -0.309 40.469 40.800 -0.037 0.000 0.989 177 D HN 0.679 nan 8.370 nan 0.000 0.469 178 T N 0.067 114.521 114.554 -0.168 0.000 3.418 178 T HA 0.277 4.641 4.350 0.022 0.000 0.239 178 T C 0.828 175.525 174.700 -0.005 0.000 0.905 178 T CA -0.561 61.450 62.100 -0.148 0.000 0.929 178 T CB -1.061 67.639 68.868 -0.280 0.000 1.121 178 T HN -0.076 nan 8.240 nan 0.000 0.608 179 V N -1.380 118.582 119.914 0.080 0.000 3.385 179 V HA 0.494 4.627 4.120 0.022 0.000 0.301 179 V C 0.653 176.892 176.094 0.242 0.000 1.082 179 V CA -1.531 60.863 62.300 0.155 0.000 1.085 179 V CB 0.596 32.496 31.823 0.128 0.000 1.152 179 V HN 0.550 nan 8.190 nan 0.000 0.465 180 R N 1.372 122.060 120.500 0.312 0.000 2.202 180 R HA 0.504 4.858 4.340 0.022 0.000 0.334 180 R C -1.048 175.333 176.300 0.134 0.000 1.036 180 R CA -0.096 56.144 56.100 0.233 0.000 0.878 180 R CB 0.224 30.594 30.300 0.117 0.000 1.067 180 R HN 1.062 nan 8.270 nan 0.000 0.457 181 D N 3.166 123.656 120.400 0.151 0.000 2.725 181 D HA 0.204 4.857 4.640 0.022 0.000 0.292 181 D C -0.749 175.661 176.300 0.184 0.000 1.288 181 D CA -0.596 53.483 54.000 0.132 0.000 0.784 181 D CB 1.188 42.056 40.800 0.114 0.000 1.308 181 D HN 0.229 nan 8.370 nan 0.000 0.429 182 I N 1.159 121.855 120.570 0.210 0.000 2.764 182 I HA 0.323 4.506 4.170 0.022 0.000 0.294 182 I C 0.757 177.007 176.117 0.222 0.000 1.045 182 I CA -0.220 61.211 61.300 0.220 0.000 1.340 182 I CB 0.294 38.455 38.000 0.268 0.000 1.436 182 I HN 0.256 nan 8.210 nan 0.000 0.567 183 R N 2.363 123.013 120.500 0.251 0.000 2.589 183 R HA 0.571 4.924 4.340 0.022 0.000 0.293 183 R C -0.082 176.403 176.300 0.308 0.000 0.963 183 R CA -0.766 55.498 56.100 0.274 0.000 0.905 183 R CB 1.434 31.914 30.300 0.301 0.000 1.144 183 R HN 0.805 nan 8.270 nan 0.000 0.459 184 G N 0.897 109.900 108.800 0.337 0.000 2.425 184 G HA2 0.482 4.455 3.960 0.022 0.000 0.302 184 G HA3 0.482 4.455 3.960 0.022 0.000 0.302 184 G C -1.276 173.710 174.900 0.144 0.000 1.159 184 G CA -0.076 45.216 45.100 0.319 0.000 0.865 184 G HN 0.359 nan 8.290 nan 0.000 0.515 185 F N 1.935 121.800 119.950 -0.141 0.000 2.949 185 F HA 0.638 5.178 4.527 0.022 0.000 0.376 185 F C -0.169 175.349 175.800 -0.469 0.000 1.205 185 F CA -1.841 55.978 58.000 -0.301 0.000 1.155 185 F CB 0.909 39.839 39.000 -0.118 0.000 1.495 185 F HN 0.655 nan 8.300 nan 0.000 0.551 186 A N 3.112 125.667 122.820 -0.442 0.000 2.304 186 A HA 0.795 5.128 4.320 0.022 0.000 0.323 186 A C -0.546 176.589 177.584 -0.750 0.000 1.195 186 A CA -0.426 51.184 52.037 -0.713 0.000 0.826 186 A CB 0.817 19.029 19.000 -1.314 0.000 1.184 186 A HN 0.519 nan 8.150 nan 0.000 0.496 187 T N 2.277 116.558 114.554 -0.455 0.000 2.809 187 T HA 0.384 4.747 4.350 0.022 0.000 0.284 187 T C -0.374 174.143 174.700 -0.305 0.000 0.992 187 T CA -0.475 61.378 62.100 -0.412 0.000 0.957 187 T CB 1.066 69.657 68.868 -0.462 0.000 0.942 187 T HN 0.631 nan 8.240 nan 0.000 0.439 188 K N 3.450 123.742 120.400 -0.181 0.000 2.253 188 K HA 0.446 4.779 4.320 0.022 0.000 0.277 188 K C -1.253 174.998 176.600 -0.582 0.000 1.053 188 K CA -0.580 55.511 56.287 -0.328 0.000 0.892 188 K CB 0.323 32.578 32.500 -0.408 0.000 1.102 188 K HN 0.389 nan 8.250 nan 0.000 0.469 189 F N 4.304 123.969 119.950 -0.475 0.000 2.391 189 F HA 0.233 4.773 4.527 0.022 0.000 0.359 189 F C -0.410 175.193 175.800 -0.328 0.000 1.122 189 F CA -0.547 57.238 58.000 -0.359 0.000 1.120 189 F CB 0.690 39.389 39.000 -0.503 0.000 1.142 189 F HN 0.441 nan 8.300 nan 0.000 0.483 190 Y N 1.879 122.231 120.300 0.087 0.000 2.714 190 Y HA 0.223 4.785 4.550 0.021 0.000 0.333 190 Y C 1.039 176.995 175.900 0.092 0.000 1.220 190 Y CA -0.854 57.282 58.100 0.060 0.000 1.513 190 Y CB -0.200 38.285 38.460 0.041 0.000 1.435 190 Y HN 0.548 nan 8.280 nan 0.000 0.489 191 T N -2.432 112.221 114.554 0.165 0.000 2.847 191 T HA 0.174 4.537 4.350 0.022 0.000 0.279 191 T C 0.999 175.791 174.700 0.155 0.000 0.984 191 T CA -0.683 61.518 62.100 0.168 0.000 0.988 191 T CB 1.096 70.041 68.868 0.129 0.000 1.040 191 T HN 0.641 nan 8.240 nan 0.000 0.528 192 E N -0.061 120.233 120.200 0.158 0.000 2.418 192 E HA -0.030 4.333 4.350 0.022 0.000 0.197 192 E C 1.032 177.698 176.600 0.110 0.000 1.026 192 E CA 0.676 57.151 56.400 0.126 0.000 0.862 192 E CB 0.137 29.908 29.700 0.119 0.000 0.799 192 E HN 0.723 nan 8.360 nan 0.000 0.518 193 E N 0.012 120.280 120.200 0.113 0.000 2.734 193 E HA 0.258 4.621 4.350 0.022 0.000 0.211 193 E C 0.030 176.680 176.600 0.083 0.000 0.991 193 E CA -0.240 56.220 56.400 0.099 0.000 1.065 193 E CB 1.374 31.137 29.700 0.104 0.000 1.047 193 E HN 0.176 nan 8.360 nan 0.000 0.470 194 G N 1.126 109.969 108.800 0.072 0.000 2.406 194 G HA2 -0.107 3.866 3.960 0.022 0.000 0.680 194 G HA3 -0.107 3.866 3.960 0.022 0.000 0.680 194 G C -0.915 173.995 174.900 0.015 0.000 1.338 194 G CA -1.126 43.994 45.100 0.032 0.000 0.941 194 G HN 0.010 nan 8.290 nan 0.000 0.633 195 I N 0.662 121.204 120.570 -0.046 0.000 2.556 195 I HA 0.406 4.589 4.170 0.022 0.000 0.284 195 I C 0.178 176.304 176.117 0.015 0.000 1.114 195 I CA -0.024 61.223 61.300 -0.088 0.000 1.418 195 I CB 0.723 38.600 38.000 -0.205 0.000 1.394 195 I HN 0.488 nan 8.210 nan 0.000 0.552 196 F N 6.608 126.456 119.950 -0.171 0.000 2.477 196 F HA 0.452 4.992 4.527 0.022 0.000 0.335 196 F C -0.683 175.079 175.800 -0.065 0.000 1.130 196 F CA -1.178 56.717 58.000 -0.175 0.000 0.948 196 F CB 0.861 39.611 39.000 -0.417 0.000 1.154 196 F HN 0.341 nan 8.300 nan 0.000 0.439 197 D N 6.580 126.742 120.400 -0.397 0.000 2.303 197 D HA 0.258 4.911 4.640 0.022 0.000 0.236 197 D C -1.039 174.749 176.300 -0.853 0.000 1.068 197 D CA -0.124 53.604 54.000 -0.453 0.000 0.830 197 D CB 2.145 42.886 40.800 -0.098 0.000 1.109 197 D HN 0.498 nan 8.370 nan 0.000 0.496 198 L N 4.042 124.740 121.223 -0.875 0.000 2.272 198 L HA 0.282 4.635 4.340 0.022 0.000 0.284 198 L C -1.064 175.572 176.870 -0.389 0.000 1.045 198 L CA -0.645 53.754 54.840 -0.735 0.000 0.842 198 L CB 1.065 42.714 42.059 -0.683 0.000 1.224 198 L HN 0.077 nan 8.230 nan 0.000 0.430 199 V N 6.109 125.832 119.914 -0.317 0.000 2.270 199 V HA 0.711 4.844 4.120 0.022 0.000 0.263 199 V C 0.831 176.828 176.094 -0.163 0.000 1.066 199 V CA -0.037 62.099 62.300 -0.274 0.000 0.857 199 V CB 0.170 31.797 31.823 -0.328 0.000 1.099 199 V HN 0.860 nan 8.190 nan 0.000 0.476 200 G N 3.250 111.971 108.800 -0.131 0.000 2.932 200 G HA2 0.648 4.621 3.960 0.022 0.000 0.283 200 G HA3 0.648 4.621 3.960 0.022 0.000 0.283 200 G C -0.846 174.082 174.900 0.047 0.000 1.336 200 G CA -0.616 44.462 45.100 -0.037 0.000 1.056 200 G HN 0.475 nan 8.290 nan 0.000 0.522 201 N N -0.949 117.822 118.700 0.119 0.000 2.890 201 N HA 0.252 5.005 4.740 0.022 0.000 0.317 201 N C 0.402 176.085 175.510 0.287 0.000 1.355 201 N CA -0.748 52.431 53.050 0.214 0.000 0.803 201 N CB 1.255 39.864 38.487 0.203 0.000 1.465 201 N HN 0.531 nan 8.380 nan 0.000 0.591 202 N N -1.370 117.512 118.700 0.303 0.000 2.268 202 N HA 0.002 4.755 4.740 0.022 0.000 0.204 202 N C -0.615 175.118 175.510 0.372 0.000 1.124 202 N CA -0.110 53.167 53.050 0.377 0.000 0.838 202 N CB -0.191 38.498 38.487 0.337 0.000 0.994 202 N HN 0.524 nan 8.380 nan 0.000 0.489 203 T N -3.443 111.147 114.554 0.060 0.000 2.900 203 T HA 0.445 4.808 4.350 0.022 0.000 0.295 203 T C -2.619 171.443 174.700 -1.063 0.000 1.044 203 T CA -1.626 60.080 62.100 -0.657 0.000 0.995 203 T CB 2.997 71.388 68.868 -0.795 0.000 1.072 203 T HN -0.237 nan 8.240 nan 0.000 0.473 204 P HA 0.184 nan 4.420 nan 0.000 0.245 204 P C 0.353 177.117 177.300 -0.893 0.000 1.212 204 P CA 0.072 62.225 63.100 -1.579 0.000 0.774 204 P CB -0.102 30.554 31.700 -1.739 0.000 0.999 205 I N -4.447 115.584 120.570 -0.899 0.000 3.174 205 I HA 0.548 4.731 4.170 0.022 0.000 0.313 205 I C -1.302 174.530 176.117 -0.475 0.000 1.155 205 I CA -2.055 58.874 61.300 -0.619 0.000 0.977 205 I CB 1.400 39.013 38.000 -0.646 0.000 1.248 205 I HN -0.249 nan 8.210 nan 0.000 0.453 206 F N 0.844 120.517 119.950 -0.461 0.000 2.572 206 F HA 0.519 5.059 4.527 0.022 0.000 0.342 206 F C 0.382 175.951 175.800 -0.386 0.000 1.064 206 F CA -0.680 57.088 58.000 -0.386 0.000 1.008 206 F CB 1.767 40.658 39.000 -0.181 0.000 1.303 206 F HN 0.387 nan 8.300 nan 0.000 0.492 207 F N 2.027 121.209 119.950 -1.282 0.000 2.259 207 F HA 0.062 4.603 4.527 0.022 0.000 0.298 207 F C 0.674 176.217 175.800 -0.429 0.000 1.088 207 F CA 0.704 58.175 58.000 -0.881 0.000 1.358 207 F CB -0.198 37.954 39.000 -1.414 0.000 1.040 207 F HN 0.130 nan 8.300 nan 0.000 0.505 208 I N -3.117 117.457 120.570 0.006 0.000 2.957 208 I HA 0.385 4.568 4.170 0.022 0.000 0.310 208 I C 0.448 176.717 176.117 0.253 0.000 1.063 208 I CA -0.831 60.573 61.300 0.174 0.000 1.033 208 I CB 1.853 40.013 38.000 0.265 0.000 1.230 208 I HN -0.133 nan 8.210 nan 0.000 0.447 209 Q N 0.348 120.292 119.800 0.241 0.000 2.226 209 Q HA 0.120 4.473 4.340 0.022 0.000 0.199 209 Q C -0.230 175.932 176.000 0.271 0.000 0.945 209 Q CA 0.655 56.635 55.803 0.296 0.000 0.861 209 Q CB 0.401 29.378 28.738 0.398 0.000 0.953 209 Q HN 0.665 nan 8.270 nan 0.000 0.490 210 D N -1.060 119.474 120.400 0.223 0.000 2.362 210 D HA 0.308 4.961 4.640 0.022 0.000 0.247 210 D C 0.041 176.460 176.300 0.198 0.000 1.050 210 D CA -0.208 53.894 54.000 0.170 0.000 0.839 210 D CB 1.841 42.715 40.800 0.123 0.000 1.283 210 D HN 0.061 nan 8.370 nan 0.000 0.477 211 A N 3.395 126.304 122.820 0.147 0.000 2.024 211 A HA -0.238 4.095 4.320 0.022 0.000 0.220 211 A C 1.802 179.502 177.584 0.193 0.000 1.164 211 A CA 1.648 53.769 52.037 0.140 0.000 0.643 211 A CB -0.768 18.262 19.000 0.050 0.000 0.806 211 A HN 0.814 nan 8.150 nan 0.000 0.451 212 H N 0.165 119.289 119.070 0.091 0.000 2.422 212 H HA -0.038 4.532 4.556 0.022 0.000 0.298 212 H C 1.496 176.898 175.328 0.123 0.000 1.098 212 H CA 1.938 58.033 56.048 0.079 0.000 1.315 212 H CB 0.052 29.839 29.762 0.041 0.000 1.382 212 H HN 0.406 nan 8.280 nan 0.000 0.523 213 K N -0.562 119.955 120.400 0.195 0.000 2.458 213 K HA -0.034 4.299 4.320 0.022 0.000 0.194 213 K C 1.366 178.097 176.600 0.217 0.000 1.024 213 K CA -0.060 56.339 56.287 0.186 0.000 1.108 213 K CB 0.036 32.704 32.500 0.280 0.000 0.846 213 K HN 0.291 nan 8.250 nan 0.000 0.518 214 F N 2.970 122.968 119.950 0.079 0.000 2.095 214 F HA -0.170 4.370 4.527 0.021 0.000 0.298 214 F C -0.974 174.835 175.800 0.015 0.000 1.104 214 F CA 1.501 59.571 58.000 0.116 0.000 1.232 214 F CB -0.487 38.569 39.000 0.093 0.000 0.987 214 F HN 0.036 nan 8.300 nan 0.000 0.475 215 P HA -0.152 nan 4.420 nan 0.000 0.216 215 P C 1.026 177.997 177.300 -0.548 0.000 1.150 215 P CA 1.857 64.700 63.100 -0.428 0.000 0.837 215 P CB -0.092 31.381 31.700 -0.378 0.000 0.786 216 D N -1.194 119.034 120.400 -0.286 0.000 2.084 216 D HA -0.165 4.488 4.640 0.022 0.000 0.194 216 D C 1.848 177.850 176.300 -0.497 0.000 0.990 216 D CA 1.071 54.941 54.000 -0.218 0.000 0.826 216 D CB -0.936 39.909 40.800 0.075 0.000 0.971 216 D HN 0.156 nan 8.370 nan 0.000 0.453 217 F N 1.912 121.451 119.950 -0.684 0.000 2.102 217 F HA -0.229 4.311 4.527 0.022 0.000 0.298 217 F C 2.262 177.679 175.800 -0.639 0.000 1.105 217 F CA 1.180 58.593 58.000 -0.978 0.000 1.239 217 F CB -0.232 38.449 39.000 -0.531 0.000 0.991 217 F HN -0.246 nan 8.300 nan 0.000 0.474 218 V N 0.397 119.879 119.914 -0.720 0.000 2.343 218 V HA -0.340 3.793 4.120 0.022 0.000 0.247 218 V C 2.287 178.149 176.094 -0.387 0.000 1.051 218 V CA 2.465 64.378 62.300 -0.645 0.000 1.036 218 V CB -1.094 30.374 31.823 -0.592 0.000 0.654 218 V HN 0.486 nan 8.190 nan 0.000 0.451 219 H N -0.257 118.579 119.070 -0.390 0.000 2.387 219 H HA -0.115 4.454 4.556 0.022 0.000 0.299 219 H C 2.334 177.513 175.328 -0.248 0.000 1.090 219 H CA 1.009 56.911 56.048 -0.243 0.000 1.332 219 H CB 0.029 29.697 29.762 -0.156 0.000 1.386 219 H HN 0.487 nan 8.280 nan 0.000 0.516 220 A N 0.459 123.105 122.820 -0.289 0.000 1.933 220 A HA -0.118 4.215 4.320 0.022 0.000 0.218 220 A C 2.508 179.933 177.584 -0.266 0.000 1.175 220 A CA 1.419 53.277 52.037 -0.299 0.000 0.628 220 A CB -0.727 17.961 19.000 -0.521 0.000 0.814 220 A HN 0.304 nan 8.150 nan 0.000 0.444 221 V N -0.215 119.424 119.914 -0.459 0.000 2.649 221 V HA -0.011 4.122 4.120 0.022 0.000 0.248 221 V C 1.004 177.080 176.094 -0.029 0.000 1.054 221 V CA 0.913 63.028 62.300 -0.307 0.000 1.073 221 V CB -0.461 30.987 31.823 -0.626 0.000 0.699 221 V HN 0.350 nan 8.190 nan 0.000 0.463 222 K N 0.903 121.244 120.400 -0.098 0.000 2.156 222 K HA 0.217 4.551 4.320 0.022 0.000 0.242 222 K C -2.283 174.280 176.600 -0.060 0.000 1.033 222 K CA -1.598 54.648 56.287 -0.069 0.000 0.878 222 K CB -0.537 31.914 32.500 -0.082 0.000 1.057 222 K HN 0.162 nan 8.250 nan 0.000 0.505 223 P HA -0.016 nan 4.420 nan 0.000 0.265 223 P C -0.586 176.664 177.300 -0.084 0.000 1.193 223 P CA 0.439 63.411 63.100 -0.213 0.000 0.765 223 P CB 0.290 31.870 31.700 -0.200 0.000 0.823 224 E N 5.576 125.774 120.200 -0.003 0.000 2.413 224 E HA -0.024 4.339 4.350 0.022 0.000 0.263 224 E C -1.198 175.495 176.600 0.155 0.000 1.015 224 E CA -1.231 55.280 56.400 0.185 0.000 0.916 224 E CB 0.143 30.090 29.700 0.412 0.000 0.947 224 E HN 0.425 nan 8.360 nan 0.000 0.440 225 P HA -0.213 nan 4.420 nan 0.000 0.219 225 P C 1.035 178.419 177.300 0.139 0.000 1.150 225 P CA 1.435 64.588 63.100 0.087 0.000 0.814 225 P CB 0.009 31.727 31.700 0.030 0.000 0.787 226 H N -0.691 118.420 119.070 0.067 0.000 2.326 226 H HA -0.091 4.478 4.556 0.022 0.000 0.301 226 H C 1.467 176.897 175.328 0.169 0.000 1.081 226 H CA 1.532 57.606 56.048 0.043 0.000 1.334 226 H CB -1.426 28.290 29.762 -0.076 0.000 1.385 226 H HN 0.307 nan 8.280 nan 0.000 0.504 227 W N -0.110 120.815 121.300 -0.625 0.000 2.870 227 W HA 0.709 5.382 4.660 0.021 0.000 0.358 227 W C 0.426 176.781 176.519 -0.273 0.000 1.043 227 W CA -1.277 55.834 57.345 -0.390 0.000 1.692 227 W CB -0.811 28.391 29.460 -0.430 0.000 1.100 227 W HN 0.456 nan 8.180 nan 0.000 0.557 228 A N 1.293 124.086 122.820 -0.045 0.000 2.578 228 A HA -0.120 4.213 4.320 0.022 0.000 0.298 228 A C -0.472 176.877 177.584 -0.393 0.000 1.472 228 A CA 1.413 53.347 52.037 -0.172 0.000 0.734 228 A CB -2.399 16.530 19.000 -0.119 0.000 1.091 228 A HN 0.481 nan 8.150 nan 0.000 0.426 229 I N 0.628 120.821 120.570 -0.629 0.000 2.722 229 I HA 0.547 4.730 4.170 0.022 0.000 0.295 229 I C -2.514 173.277 176.117 -0.544 0.000 1.161 229 I CA -2.334 58.493 61.300 -0.789 0.000 1.032 229 I CB 3.047 40.099 38.000 -1.581 0.000 1.244 229 I HN 0.227 nan 8.210 nan 0.000 0.421 230 P HA 0.324 nan 4.420 nan 0.000 0.289 230 P C -1.590 175.535 177.300 -0.293 0.000 1.293 230 P CA -0.821 62.043 63.100 -0.394 0.000 0.897 230 P CB 1.569 33.115 31.700 -0.257 0.000 1.166 231 Q N 0.606 120.285 119.800 -0.201 0.000 2.261 231 Q HA 0.493 4.846 4.340 0.022 0.000 0.252 231 Q C 1.068 177.027 176.000 -0.069 0.000 0.915 231 Q CA 0.912 56.637 55.803 -0.130 0.000 0.915 231 Q CB -0.198 28.476 28.738 -0.106 0.000 1.204 231 Q HN 0.816 nan 8.270 nan 0.000 0.421 232 G N 3.058 111.829 108.800 -0.048 0.000 2.225 232 G HA2 -0.291 3.682 3.960 0.022 0.000 0.267 232 G HA3 -0.291 3.682 3.960 0.022 0.000 0.267 232 G C -0.432 174.480 174.900 0.020 0.000 1.024 232 G CA 0.638 45.736 45.100 -0.004 0.000 0.784 232 G HN 0.542 nan 8.290 nan 0.000 0.507 233 Q N -1.215 118.583 119.800 -0.005 0.000 2.340 233 Q HA 0.568 4.921 4.340 0.022 0.000 0.276 233 Q C 0.664 176.677 176.000 0.022 0.000 1.048 233 Q CA -0.161 55.665 55.803 0.039 0.000 0.832 233 Q CB 1.817 30.620 28.738 0.109 0.000 1.373 233 Q HN 0.473 nan 8.270 nan 0.000 0.409 234 S N -0.670 114.950 115.700 -0.134 0.000 2.556 234 S HA 0.237 4.720 4.470 0.022 0.000 0.216 234 S C 0.850 175.396 174.600 -0.090 0.000 0.970 234 S CA -0.016 57.877 58.200 -0.511 0.000 0.912 234 S CB 0.395 62.724 63.200 -1.452 0.000 0.790 234 S HN 0.606 nan 8.310 nan 0.000 0.504 235 A N 2.407 125.360 122.820 0.221 0.000 3.026 235 A HA 0.509 4.843 4.320 0.022 0.000 0.272 235 A C 0.113 177.938 177.584 0.400 0.000 1.782 235 A CA -0.481 51.770 52.037 0.357 0.000 1.451 235 A CB -1.335 17.813 19.000 0.247 0.000 1.081 235 A HN 0.912 nan 8.150 nan 0.000 0.611 236 H N -3.355 115.903 119.070 0.313 0.000 3.014 236 H HA 0.480 5.049 4.556 0.022 0.000 0.337 236 H C -0.253 175.270 175.328 0.326 0.000 1.320 236 H CA -0.731 55.467 56.048 0.250 0.000 1.128 236 H CB 0.267 30.134 29.762 0.175 0.000 1.862 236 H HN 0.091 nan 8.280 nan 0.000 0.536 237 D N 0.306 120.877 120.400 0.284 0.000 2.116 237 D HA -0.221 4.432 4.640 0.022 0.000 0.193 237 D C 2.109 178.471 176.300 0.104 0.000 0.998 237 D CA 3.167 57.274 54.000 0.177 0.000 0.836 237 D CB -0.381 40.503 40.800 0.139 0.000 0.951 237 D HN 0.792 nan 8.370 nan 0.000 0.449 238 T N -1.657 112.950 114.554 0.089 0.000 2.833 238 T HA -0.203 4.160 4.350 0.022 0.000 0.269 238 T C 1.886 176.522 174.700 -0.107 0.000 1.054 238 T CA 0.694 62.810 62.100 0.026 0.000 1.135 238 T CB -0.700 68.234 68.868 0.108 0.000 0.869 238 T HN 0.177 nan 8.240 nan 0.000 0.466 239 F N 0.698 120.334 119.950 -0.524 0.000 2.113 239 F HA 0.095 4.635 4.527 0.022 0.000 0.297 239 F C 1.855 177.406 175.800 -0.415 0.000 1.103 239 F CA 0.742 58.376 58.000 -0.610 0.000 1.248 239 F CB -0.518 37.930 39.000 -0.920 0.000 0.999 239 F HN 0.142 nan 8.300 nan 0.000 0.475 240 W N 0.541 121.793 121.300 -0.081 0.000 2.467 240 W HA -0.083 4.591 4.660 0.022 0.000 0.275 240 W C 2.272 178.723 176.519 -0.112 0.000 1.239 240 W CA 0.939 58.230 57.345 -0.090 0.000 1.266 240 W CB -0.559 28.927 29.460 0.044 0.000 1.112 240 W HN 0.068 nan 8.180 nan 0.000 0.576 241 D N -0.583 119.864 120.400 0.077 0.000 2.084 241 D HA -0.287 4.366 4.640 0.022 0.000 0.194 241 D C 1.874 178.182 176.300 0.012 0.000 0.990 241 D CA 1.460 55.487 54.000 0.045 0.000 0.826 241 D CB -0.529 40.306 40.800 0.058 0.000 0.971 241 D HN 0.188 nan 8.370 nan 0.000 0.453 242 Y N 0.396 120.595 120.300 -0.170 0.000 2.145 242 Y HA -0.188 4.376 4.550 0.022 0.000 0.286 242 Y C 2.292 178.057 175.900 -0.224 0.000 1.145 242 Y CA 1.505 59.488 58.100 -0.194 0.000 1.148 242 Y CB -0.426 37.881 38.460 -0.256 0.000 0.981 242 Y HN -0.119 nan 8.280 nan 0.000 0.507 243 V N 0.192 119.983 119.914 -0.205 0.000 2.332 243 V HA -0.356 3.777 4.120 0.022 0.000 0.248 243 V C 2.619 178.656 176.094 -0.096 0.000 1.055 243 V CA 2.269 64.439 62.300 -0.218 0.000 1.038 243 V CB -1.228 30.368 31.823 -0.378 0.000 0.651 243 V HN 0.677 nan 8.190 nan 0.000 0.450 244 S N -0.162 115.526 115.700 -0.020 0.000 2.419 244 S HA -0.094 4.389 4.470 0.022 0.000 0.233 244 S C 1.729 176.294 174.600 -0.058 0.000 1.016 244 S CA 1.498 59.706 58.200 0.014 0.000 0.974 244 S CB -0.472 62.763 63.200 0.058 0.000 0.786 244 S HN 0.564 nan 8.310 nan 0.000 0.492 245 L N -0.058 121.083 121.223 -0.137 0.000 2.585 245 L HA 0.315 4.668 4.340 0.022 0.000 0.226 245 L C 0.531 177.230 176.870 -0.285 0.000 1.113 245 L CA 0.138 54.872 54.840 -0.177 0.000 0.876 245 L CB 0.014 41.971 42.059 -0.169 0.000 1.072 245 L HN 0.251 nan 8.230 nan 0.000 0.468 246 Q N 0.303 119.885 119.800 -0.364 0.000 3.090 246 Q HA 0.231 4.584 4.340 0.022 0.000 0.241 246 Q C -1.930 173.846 176.000 -0.374 0.000 0.958 246 Q CA -1.477 54.067 55.803 -0.432 0.000 0.715 246 Q CB 1.542 29.897 28.738 -0.638 0.000 1.298 246 Q HN -0.016 nan 8.270 nan 0.000 0.468 247 P HA -0.231 nan 4.420 nan 0.000 0.221 247 P C 0.997 177.996 177.300 -0.502 0.000 1.145 247 P CA 1.190 64.031 63.100 -0.433 0.000 0.795 247 P CB 0.279 31.681 31.700 -0.497 0.000 0.775 248 E N 0.687 120.462 120.200 -0.708 0.000 2.209 248 E HA -0.194 4.169 4.350 0.022 0.000 0.196 248 E C 1.573 178.134 176.600 -0.065 0.000 0.993 248 E CA 1.947 58.196 56.400 -0.251 0.000 0.819 248 E CB -1.387 28.238 29.700 -0.125 0.000 0.745 248 E HN 0.293 nan 8.360 nan 0.000 0.477 249 T N -0.392 114.123 114.554 -0.066 0.000 3.007 249 T HA -0.027 4.337 4.350 0.022 0.000 0.270 249 T C 1.985 176.750 174.700 0.110 0.000 1.107 249 T CA 0.657 62.782 62.100 0.041 0.000 1.118 249 T CB -0.398 68.513 68.868 0.072 0.000 0.889 249 T HN 0.157 nan 8.240 nan 0.000 0.506 250 L N 0.119 121.410 121.223 0.114 0.000 2.079 250 L HA -0.133 4.221 4.340 0.022 0.000 0.210 250 L C 2.866 179.909 176.870 0.288 0.000 1.081 250 L CA 1.984 56.965 54.840 0.235 0.000 0.752 250 L CB -0.830 41.376 42.059 0.245 0.000 0.896 250 L HN 0.483 nan 8.230 nan 0.000 0.433 251 H N 0.016 119.140 119.070 0.091 0.000 2.293 251 H HA -0.211 4.358 4.556 0.022 0.000 0.300 251 H C 2.176 177.518 175.328 0.023 0.000 1.082 251 H CA 1.834 57.935 56.048 0.088 0.000 1.308 251 H CB 0.189 29.970 29.762 0.031 0.000 1.375 251 H HN 0.371 nan 8.280 nan 0.000 0.495 252 N N -0.100 118.435 118.700 -0.275 0.000 2.309 252 N HA -0.124 4.629 4.740 0.022 0.000 0.182 252 N C 1.914 177.256 175.510 -0.281 0.000 1.018 252 N CA 0.670 53.335 53.050 -0.641 0.000 0.876 252 N CB 0.281 37.928 38.487 -1.399 0.000 0.972 252 N HN 0.126 nan 8.380 nan 0.000 0.434 253 V N 1.577 121.546 119.914 0.093 0.000 2.343 253 V HA -0.235 3.899 4.120 0.022 0.000 0.247 253 V C 2.487 178.713 176.094 0.221 0.000 1.051 253 V CA 1.193 63.691 62.300 0.330 0.000 1.036 253 V CB -0.336 31.743 31.823 0.426 0.000 0.654 253 V HN 0.397 nan 8.190 nan 0.000 0.451 254 M N -1.589 118.176 119.600 0.276 0.000 2.080 254 M HA -0.220 4.273 4.480 0.022 0.000 0.260 254 M C 2.087 178.372 176.300 -0.025 0.000 1.068 254 M CA 1.940 57.399 55.300 0.265 0.000 1.109 254 M CB -1.195 31.600 32.600 0.324 0.000 1.342 254 M HN 0.466 nan 8.290 nan 0.000 0.405 255 W N 0.433 121.457 121.300 -0.460 0.000 2.358 255 W HA -0.104 4.570 4.660 0.022 0.000 0.303 255 W C 2.785 179.219 176.519 -0.141 0.000 1.208 255 W CA 1.839 58.883 57.345 -0.502 0.000 1.274 255 W CB -0.875 28.206 29.460 -0.632 0.000 1.138 255 W HN 0.284 nan 8.180 nan 0.000 0.515 256 A N -0.739 122.154 122.820 0.121 0.000 1.969 256 A HA -0.167 4.166 4.320 0.022 0.000 0.218 256 A C 1.916 179.545 177.584 0.075 0.000 1.169 256 A CA 1.534 53.649 52.037 0.130 0.000 0.635 256 A CB -0.561 18.551 19.000 0.187 0.000 0.810 256 A HN 0.096 nan 8.150 nan 0.000 0.445 257 M N 0.757 120.353 119.600 -0.007 0.000 2.419 257 M HA 0.007 4.500 4.480 0.022 0.000 0.264 257 M C 1.517 177.845 176.300 0.047 0.000 1.082 257 M CA 0.836 56.065 55.300 -0.118 0.000 1.119 257 M CB -1.430 30.809 32.600 -0.601 0.000 1.398 257 M HN 0.551 nan 8.290 nan 0.000 0.453 258 S N 0.246 116.039 115.700 0.156 0.000 2.633 258 S HA 0.076 4.559 4.470 0.022 0.000 0.257 258 S C 0.757 175.490 174.600 0.222 0.000 1.265 258 S CA -0.404 57.937 58.200 0.234 0.000 0.980 258 S CB 0.780 64.172 63.200 0.321 0.000 1.017 258 S HN 0.183 nan 8.310 nan 0.000 0.577 259 D N 0.114 120.668 120.400 0.257 0.000 2.378 259 D HA 0.034 4.687 4.640 0.022 0.000 0.222 259 D C 1.899 178.353 176.300 0.257 0.000 0.980 259 D CA 0.316 54.490 54.000 0.291 0.000 0.907 259 D CB -0.154 40.893 40.800 0.412 0.000 0.899 259 D HN 0.350 nan 8.370 nan 0.000 0.527 260 R N 0.219 120.864 120.500 0.243 0.000 2.127 260 R HA -0.055 4.298 4.340 0.022 0.000 0.238 260 R C 2.110 178.566 176.300 0.261 0.000 1.134 260 R CA 1.039 57.303 56.100 0.273 0.000 0.975 260 R CB -0.959 29.567 30.300 0.377 0.000 0.865 260 R HN 0.196 nan 8.270 nan 0.000 0.447 261 G N 1.334 110.274 108.800 0.233 0.000 2.625 261 G HA2 -0.062 3.911 3.960 0.022 0.000 0.214 261 G HA3 -0.062 3.911 3.960 0.022 0.000 0.214 261 G C 1.006 176.047 174.900 0.235 0.000 1.132 261 G CA 0.265 45.493 45.100 0.213 0.000 0.782 261 G HN 0.439 nan 8.290 nan 0.000 0.538 262 I N -2.203 118.518 120.570 0.252 0.000 2.926 262 I HA 0.350 4.533 4.170 0.022 0.000 0.295 262 I C -2.853 173.423 176.117 0.265 0.000 1.463 262 I CA -2.626 58.832 61.300 0.262 0.000 0.892 262 I CB 1.784 39.941 38.000 0.263 0.000 1.874 262 I HN -0.266 nan 8.210 nan 0.000 0.620 263 P HA 0.055 nan 4.420 nan 0.000 0.269 263 P C 0.554 177.996 177.300 0.237 0.000 1.209 263 P CA -0.128 63.084 63.100 0.187 0.000 0.776 263 P CB 1.232 32.977 31.700 0.075 0.000 0.876 264 R N 2.094 122.720 120.500 0.211 0.000 2.115 264 R HA -0.001 4.352 4.340 0.022 0.000 0.230 264 R C 0.482 176.939 176.300 0.263 0.000 1.111 264 R CA 1.554 57.830 56.100 0.293 0.000 0.976 264 R CB -0.449 29.997 30.300 0.244 0.000 0.870 264 R HN 0.598 nan 8.270 nan 0.000 0.445 265 S N -3.035 112.604 115.700 -0.102 0.000 2.578 265 S HA 0.189 4.672 4.470 0.022 0.000 0.272 265 S C -0.238 174.048 174.600 -0.523 0.000 1.145 265 S CA -0.849 57.096 58.200 -0.425 0.000 0.835 265 S CB -0.072 63.037 63.200 -0.151 0.000 1.104 265 S HN 0.075 nan 8.310 nan 0.000 0.458 266 Y N 1.876 121.807 120.300 -0.615 0.000 2.403 266 Y HA 0.082 4.645 4.550 0.022 0.000 0.291 266 Y C 2.442 177.989 175.900 -0.588 0.000 1.143 266 Y CA 1.167 58.778 58.100 -0.815 0.000 1.257 266 Y CB -0.385 37.223 38.460 -1.419 0.000 0.984 266 Y HN 0.565 nan 8.280 nan 0.000 0.550 267 R N -0.544 119.826 120.500 -0.217 0.000 2.189 267 R HA -0.042 4.311 4.340 0.022 0.000 0.218 267 R C 1.004 177.275 176.300 -0.050 0.000 1.074 267 R CA 1.520 57.553 56.100 -0.113 0.000 0.991 267 R CB -0.354 29.871 30.300 -0.125 0.000 0.883 267 R HN 0.329 nan 8.270 nan 0.000 0.457 268 T N -1.605 112.930 114.554 -0.032 0.000 3.313 268 T HA 0.374 4.737 4.350 0.022 0.000 0.263 268 T C 0.139 174.881 174.700 0.070 0.000 0.983 268 T CA -0.671 61.440 62.100 0.018 0.000 0.963 268 T CB -0.106 68.759 68.868 -0.004 0.000 1.141 268 T HN 0.065 nan 8.240 nan 0.000 0.526 269 M N -1.253 118.428 119.600 0.135 0.000 2.593 269 M HA 0.737 5.230 4.480 0.022 0.000 0.290 269 M C -1.220 175.249 176.300 0.281 0.000 1.244 269 M CA -0.909 54.507 55.300 0.193 0.000 0.857 269 M CB 2.147 34.857 32.600 0.182 0.000 1.738 269 M HN -0.129 nan 8.290 nan 0.000 0.461 270 E N 0.260 120.626 120.200 0.277 0.000 2.312 270 E HA 0.685 5.048 4.350 0.022 0.000 0.259 270 E C -0.361 176.315 176.600 0.127 0.000 1.122 270 E CA -0.636 55.866 56.400 0.169 0.000 0.922 270 E CB 1.760 31.492 29.700 0.052 0.000 1.109 270 E HN 0.858 nan 8.360 nan 0.000 0.442 271 G N 0.774 109.482 108.800 -0.153 0.000 2.591 271 G HA2 0.623 4.596 3.960 0.022 0.000 0.306 271 G HA3 0.623 4.596 3.960 0.022 0.000 0.306 271 G C -1.487 173.049 174.900 -0.607 0.000 1.334 271 G CA -0.448 44.564 45.100 -0.148 0.000 0.981 271 G HN 0.281 nan 8.290 nan 0.000 0.491 272 F N -0.055 119.834 119.950 -0.101 0.000 2.591 272 F HA 0.508 5.048 4.527 0.022 0.000 0.309 272 F C 1.083 176.790 175.800 -0.155 0.000 1.098 272 F CA -0.573 57.293 58.000 -0.223 0.000 0.937 272 F CB 2.611 41.422 39.000 -0.314 0.000 1.250 272 F HN 0.596 nan 8.300 nan 0.000 0.447 273 G N 0.806 109.664 108.800 0.097 0.000 2.623 273 G HA2 0.146 4.119 3.960 0.022 0.000 0.214 273 G HA3 0.146 4.119 3.960 0.022 0.000 0.214 273 G C 1.184 176.139 174.900 0.092 0.000 1.138 273 G CA 0.816 46.025 45.100 0.182 0.000 0.794 273 G HN 0.801 nan 8.290 nan 0.000 0.535 274 I N -1.052 119.491 120.570 -0.044 0.000 4.624 274 I HA -0.322 3.861 4.170 0.022 0.000 0.049 274 I C 0.556 176.520 176.117 -0.255 0.000 0.621 274 I CA 1.554 62.698 61.300 -0.259 0.000 0.836 274 I CB -1.190 36.554 38.000 -0.426 0.000 0.765 274 I HN 0.262 nan 8.210 nan 0.000 0.159 275 H N 2.118 121.194 119.070 0.009 0.000 2.690 275 H HA 0.238 4.807 4.556 0.022 0.000 0.365 275 H C 0.077 175.329 175.328 -0.127 0.000 1.142 275 H CA 0.492 56.452 56.048 -0.147 0.000 1.417 275 H CB 0.317 29.819 29.762 -0.434 0.000 1.446 275 H HN 0.182 nan 8.280 nan 0.000 0.599 276 T N 3.778 118.286 114.554 -0.077 0.000 2.761 276 T HA 0.236 4.599 4.350 0.022 0.000 0.296 276 T C 0.232 174.848 174.700 -0.140 0.000 0.934 276 T CA -0.011 62.032 62.100 -0.095 0.000 1.091 276 T CB -0.223 68.539 68.868 -0.176 0.000 0.896 276 T HN 0.237 nan 8.240 nan 0.000 0.515 277 F N 1.487 121.388 119.950 -0.082 0.000 2.629 277 F HA 0.655 5.195 4.527 0.022 0.000 0.386 277 F C 1.067 176.828 175.800 -0.065 0.000 1.135 277 F CA -1.318 56.666 58.000 -0.027 0.000 1.116 277 F CB 1.314 40.298 39.000 -0.027 0.000 1.426 277 F HN 0.176 nan 8.300 nan 0.000 0.501 278 R N 0.607 121.178 120.500 0.117 0.000 2.670 278 R HA 0.636 4.989 4.340 0.022 0.000 0.289 278 R C -1.655 174.543 176.300 -0.170 0.000 0.965 278 R CA -0.879 55.162 56.100 -0.099 0.000 0.899 278 R CB 1.994 32.174 30.300 -0.200 0.000 1.173 278 R HN 0.433 nan 8.270 nan 0.000 0.456 279 L N 3.551 124.622 121.223 -0.253 0.000 2.309 279 L HA 0.526 4.880 4.340 0.022 0.000 0.282 279 L C -0.448 176.269 176.870 -0.254 0.000 1.036 279 L CA -0.918 53.776 54.840 -0.243 0.000 0.806 279 L CB 1.281 43.196 42.059 -0.241 0.000 1.220 279 L HN 0.353 nan 8.230 nan 0.000 0.429 280 I N 2.780 123.224 120.570 -0.211 0.000 2.436 280 I HA 0.285 4.468 4.170 0.022 0.000 0.289 280 I C -0.225 175.806 176.117 -0.144 0.000 1.010 280 I CA -0.695 60.483 61.300 -0.203 0.000 1.098 280 I CB 1.447 39.335 38.000 -0.187 0.000 1.266 280 I HN 0.634 nan 8.210 nan 0.000 0.434 281 N N 4.839 123.466 118.700 -0.122 0.000 2.476 281 N HA 0.401 5.155 4.740 0.022 0.000 0.287 281 N C 0.837 176.306 175.510 -0.068 0.000 1.262 281 N CA -0.366 52.632 53.050 -0.086 0.000 0.980 281 N CB 0.510 38.954 38.487 -0.072 0.000 1.163 281 N HN 0.516 nan 8.380 nan 0.000 0.592 282 A N -0.499 122.290 122.820 -0.052 0.000 2.019 282 A HA -0.139 4.194 4.320 0.022 0.000 0.219 282 A C 1.403 178.967 177.584 -0.034 0.000 1.164 282 A CA 1.412 53.424 52.037 -0.041 0.000 0.644 282 A CB -0.830 18.152 19.000 -0.030 0.000 0.805 282 A HN 0.792 nan 8.150 nan 0.000 0.449 283 E N -1.297 118.883 120.200 -0.032 0.000 2.502 283 E HA 0.309 4.672 4.350 0.022 0.000 0.194 283 E C 1.205 177.794 176.600 -0.018 0.000 1.062 283 E CA 0.656 57.042 56.400 -0.024 0.000 0.867 283 E CB -0.154 29.533 29.700 -0.022 0.000 0.888 283 E HN 0.733 nan 8.360 nan 0.000 0.510 284 G N 1.273 110.060 108.800 -0.022 0.000 2.157 284 G HA2 -0.368 3.605 3.960 0.022 0.000 0.248 284 G HA3 -0.368 3.605 3.960 0.022 0.000 0.248 284 G C 0.255 175.170 174.900 0.025 0.000 0.979 284 G CA 0.235 45.341 45.100 0.009 0.000 0.650 284 G HN 0.280 nan 8.290 nan 0.000 0.529 285 K N 0.819 121.197 120.400 -0.038 0.000 2.298 285 K HA 0.649 4.982 4.320 0.022 0.000 0.280 285 K C 0.511 176.977 176.600 -0.224 0.000 1.032 285 K CA 0.190 56.428 56.287 -0.082 0.000 0.958 285 K CB 0.568 33.020 32.500 -0.079 0.000 0.978 285 K HN 0.579 nan 8.250 nan 0.000 0.472 286 A N 3.430 126.009 122.820 -0.401 0.000 2.292 286 A HA 0.407 4.740 4.320 0.022 0.000 0.319 286 A C -0.775 176.479 177.584 -0.550 0.000 1.206 286 A CA -0.526 51.101 52.037 -0.684 0.000 0.835 286 A CB 1.113 19.238 19.000 -1.458 0.000 1.164 286 A HN 0.722 nan 8.150 nan 0.000 0.505 287 T N 2.488 116.764 114.554 -0.463 0.000 2.841 287 T HA 0.544 4.907 4.350 0.022 0.000 0.283 287 T C -0.623 173.856 174.700 -0.368 0.000 1.000 287 T CA -0.084 61.794 62.100 -0.370 0.000 0.977 287 T CB 0.451 69.197 68.868 -0.205 0.000 0.979 287 T HN 0.337 nan 8.240 nan 0.000 0.446 288 F N 2.076 121.931 119.950 -0.157 0.000 2.429 288 F HA 0.529 5.069 4.527 0.022 0.000 0.348 288 F C 0.531 176.212 175.800 -0.198 0.000 1.109 288 F CA -0.536 57.366 58.000 -0.163 0.000 1.232 288 F CB 0.704 39.629 39.000 -0.124 0.000 1.157 288 F HN 0.179 nan 8.300 nan 0.000 0.564 289 V N 4.896 124.763 119.914 -0.078 0.000 2.808 289 V HA 0.580 4.713 4.120 0.022 0.000 0.308 289 V C -0.969 174.882 176.094 -0.405 0.000 1.099 289 V CA -0.754 61.350 62.300 -0.328 0.000 0.920 289 V CB 2.035 33.440 31.823 -0.697 0.000 1.014 289 V HN 0.766 nan 8.190 nan 0.000 0.425 290 R N 4.948 125.265 120.500 -0.304 0.000 2.494 290 R HA 0.549 4.902 4.340 0.022 0.000 0.305 290 R C -1.582 174.625 176.300 -0.156 0.000 0.959 290 R CA -0.460 55.508 56.100 -0.219 0.000 0.864 290 R CB 1.935 32.229 30.300 -0.011 0.000 1.159 290 R HN 0.593 nan 8.270 nan 0.000 0.446 291 F N 2.426 122.417 119.950 0.068 0.000 2.396 291 F HA 0.339 4.879 4.527 0.022 0.000 0.343 291 F C 1.007 176.743 175.800 -0.107 0.000 1.104 291 F CA -0.056 57.946 58.000 0.004 0.000 1.161 291 F CB 0.789 39.687 39.000 -0.169 0.000 1.146 291 F HN 0.210 nan 8.300 nan 0.000 0.522 292 H N 1.097 120.162 119.070 -0.009 0.000 2.768 292 H HA 0.275 4.844 4.556 0.022 0.000 0.371 292 H C -1.547 173.564 175.328 -0.363 0.000 1.151 292 H CA -0.990 54.946 56.048 -0.188 0.000 1.165 292 H CB 2.026 31.764 29.762 -0.039 0.000 1.722 292 H HN 0.676 nan 8.280 nan 0.000 0.543 293 W N 2.244 123.428 121.300 -0.193 0.000 2.600 293 W HA 0.316 4.989 4.660 0.022 0.000 0.325 293 W C -0.208 176.329 176.519 0.031 0.000 1.034 293 W CA -0.758 56.525 57.345 -0.103 0.000 1.226 293 W CB 1.810 31.056 29.460 -0.356 0.000 1.379 293 W HN 0.289 nan 8.180 nan 0.000 0.466 294 K N 5.584 126.253 120.400 0.448 0.000 2.235 294 K HA 0.421 4.754 4.320 0.022 0.000 0.266 294 K C -2.431 174.410 176.600 0.401 0.000 0.980 294 K CA -1.921 54.567 56.287 0.336 0.000 0.849 294 K CB 1.553 34.202 32.500 0.247 0.000 1.098 294 K HN 0.034 nan 8.250 nan 0.000 0.445 295 P HA 0.047 nan 4.420 nan 0.000 0.276 295 P C 0.378 177.699 177.300 0.036 0.000 1.264 295 P CA -0.061 63.136 63.100 0.162 0.000 0.769 295 P CB 0.707 32.509 31.700 0.170 0.000 0.840 296 L N 2.723 123.906 121.223 -0.067 0.000 2.376 296 L HA -0.078 4.275 4.340 0.022 0.000 0.219 296 L C 2.164 179.015 176.870 -0.032 0.000 1.133 296 L CA 1.118 55.947 54.840 -0.018 0.000 0.816 296 L CB -0.579 41.477 42.059 -0.005 0.000 0.933 296 L HN 0.344 nan 8.230 nan 0.000 0.449 297 A N -0.059 122.718 122.820 -0.072 0.000 2.251 297 A HA 0.420 4.753 4.320 0.022 0.000 0.209 297 A C 1.243 178.827 177.584 -0.001 0.000 1.187 297 A CA 0.647 52.659 52.037 -0.042 0.000 0.823 297 A CB -0.315 18.643 19.000 -0.069 0.000 0.846 297 A HN 0.447 nan 8.150 nan 0.000 0.486 298 G N -0.615 108.199 108.800 0.023 0.000 2.756 298 G HA2 -0.129 3.844 3.960 0.022 0.000 0.678 298 G HA3 -0.129 3.844 3.960 0.022 0.000 0.678 298 G C -0.648 174.281 174.900 0.050 0.000 1.349 298 G CA -0.468 44.663 45.100 0.051 0.000 0.847 298 G HN 0.431 nan 8.290 nan 0.000 0.548 299 K N 0.252 120.683 120.400 0.053 0.000 2.227 299 K HA 0.692 5.025 4.320 0.022 0.000 0.280 299 K C 0.210 176.796 176.600 -0.024 0.000 1.041 299 K CA 0.262 56.562 56.287 0.023 0.000 0.905 299 K CB 1.644 34.142 32.500 -0.002 0.000 1.068 299 K HN 1.394 nan 8.250 nan 0.000 0.470 300 A N 1.909 124.709 122.820 -0.033 0.000 2.540 300 A HA 0.596 4.929 4.320 0.022 0.000 0.297 300 A C -1.112 176.521 177.584 0.082 0.000 1.056 300 A CA -0.663 51.310 52.037 -0.107 0.000 0.700 300 A CB 1.728 20.501 19.000 -0.378 0.000 1.280 300 A HN 0.517 nan 8.150 nan 0.000 0.398 301 S N 0.534 116.438 115.700 0.340 0.000 2.632 301 S HA 0.757 5.240 4.470 0.022 0.000 0.289 301 S C -0.059 174.867 174.600 0.543 0.000 1.115 301 S CA -0.601 57.843 58.200 0.407 0.000 0.889 301 S CB 1.218 64.649 63.200 0.385 0.000 1.116 301 S HN 0.649 nan 8.310 nan 0.000 0.486 302 L N 1.190 122.623 121.223 0.350 0.000 2.600 302 L HA 0.590 4.943 4.340 0.022 0.000 0.221 302 L C -0.044 176.952 176.870 0.211 0.000 1.197 302 L CA -0.806 54.164 54.840 0.216 0.000 0.838 302 L CB 0.117 42.213 42.059 0.062 0.000 1.474 302 L HN 0.490 nan 8.230 nan 0.000 0.514 303 V N -3.410 116.523 119.914 0.032 0.000 2.815 303 V HA 0.191 4.324 4.120 0.022 0.000 0.314 303 V C 0.608 176.646 176.094 -0.093 0.000 1.064 303 V CA -0.849 61.440 62.300 -0.018 0.000 0.952 303 V CB 1.642 33.435 31.823 -0.050 0.000 1.020 303 V HN 0.928 nan 8.190 nan 0.000 0.439 304 W N 2.146 123.311 121.300 -0.225 0.000 2.317 304 W HA -0.243 4.430 4.660 0.022 0.000 0.318 304 W C 1.769 178.127 176.519 -0.268 0.000 1.227 304 W CA 2.638 59.843 57.345 -0.233 0.000 1.269 304 W CB -0.091 29.213 29.460 -0.259 0.000 1.155 304 W HN 1.010 nan 8.180 nan 0.000 0.484 305 D N 0.178 120.293 120.400 -0.475 0.000 2.149 305 D HA -0.297 4.356 4.640 0.022 0.000 0.198 305 D C 2.150 178.078 176.300 -0.620 0.000 0.990 305 D CA 2.195 55.873 54.000 -0.537 0.000 0.839 305 D CB -0.485 40.251 40.800 -0.108 0.000 0.948 305 D HN 0.408 nan 8.370 nan 0.000 0.460 306 E N -0.322 119.383 120.200 -0.825 0.000 2.028 306 E HA -0.192 4.171 4.350 0.022 0.000 0.191 306 E C 2.070 178.324 176.600 -0.577 0.000 0.988 306 E CA 1.029 56.897 56.400 -0.887 0.000 0.799 306 E CB -0.261 28.796 29.700 -1.073 0.000 0.755 306 E HN 0.288 nan 8.360 nan 0.000 0.447 307 A N 1.346 123.852 122.820 -0.522 0.000 1.892 307 A HA -0.297 4.036 4.320 0.022 0.000 0.218 307 A C 2.220 179.468 177.584 -0.560 0.000 1.188 307 A CA 2.031 53.811 52.037 -0.428 0.000 0.631 307 A CB -0.850 18.012 19.000 -0.230 0.000 0.822 307 A HN 0.497 nan 8.150 nan 0.000 0.447 308 Q N -0.650 118.585 119.800 -0.942 0.000 2.079 308 Q HA -0.201 4.152 4.340 0.022 0.000 0.200 308 Q C 2.152 177.865 176.000 -0.479 0.000 0.974 308 Q CA 1.935 57.213 55.803 -0.875 0.000 0.840 308 Q CB -0.140 27.780 28.738 -1.363 0.000 0.898 308 Q HN 0.664 nan 8.270 nan 0.000 0.430 309 K N -0.136 120.006 120.400 -0.430 0.000 2.148 309 K HA -0.135 4.198 4.320 0.022 0.000 0.204 309 K C 1.981 178.440 176.600 -0.235 0.000 1.050 309 K CA 0.684 56.815 56.287 -0.260 0.000 0.942 309 K CB -0.046 32.339 32.500 -0.193 0.000 0.724 309 K HN 0.165 nan 8.250 nan 0.000 0.446 310 L N 1.174 122.216 121.223 -0.301 0.000 2.201 310 L HA -0.120 4.234 4.340 0.022 0.000 0.212 310 L C 2.083 178.817 176.870 -0.227 0.000 1.105 310 L CA 2.083 56.744 54.840 -0.298 0.000 0.775 310 L CB -0.874 40.927 42.059 -0.430 0.000 0.913 310 L HN 0.363 nan 8.230 nan 0.000 0.440 311 T N -4.471 109.954 114.554 -0.215 0.000 2.881 311 T HA -0.049 4.314 4.350 0.022 0.000 0.270 311 T C 1.856 176.492 174.700 -0.108 0.000 1.068 311 T CA 0.927 62.942 62.100 -0.142 0.000 1.131 311 T CB -0.901 67.896 68.868 -0.119 0.000 0.871 311 T HN 0.361 nan 8.240 nan 0.000 0.479 312 G N 1.329 110.058 108.800 -0.118 0.000 2.417 312 G HA2 -0.017 3.956 3.960 0.022 0.000 0.212 312 G HA3 -0.017 3.956 3.960 0.022 0.000 0.212 312 G C 1.898 176.752 174.900 -0.076 0.000 1.187 312 G CA -0.225 44.823 45.100 -0.087 0.000 0.804 312 G HN 0.305 nan 8.290 nan 0.000 0.534 313 R N 0.367 120.812 120.500 -0.091 0.000 2.115 313 R HA 0.024 4.378 4.340 0.022 0.000 0.230 313 R C -0.113 176.157 176.300 -0.049 0.000 1.111 313 R CA 0.916 56.975 56.100 -0.068 0.000 0.976 313 R CB -0.263 29.989 30.300 -0.080 0.000 0.870 313 R HN 0.367 nan 8.270 nan 0.000 0.445 314 D N -0.637 119.728 120.400 -0.059 0.000 2.445 314 D HA 0.133 4.786 4.640 0.022 0.000 0.236 314 D C -2.094 174.201 176.300 -0.009 0.000 1.315 314 D CA -1.707 52.289 54.000 -0.007 0.000 0.924 314 D CB 1.296 42.134 40.800 0.063 0.000 1.447 314 D HN -0.153 nan 8.370 nan 0.000 0.532 315 P HA -0.030 nan 4.420 nan 0.000 0.225 315 P C 0.056 177.357 177.300 0.001 0.000 1.148 315 P CA 0.765 63.850 63.100 -0.025 0.000 0.779 315 P CB 0.463 32.148 31.700 -0.027 0.000 0.780 316 D N -1.411 119.000 120.400 0.018 0.000 2.427 316 D HA 0.074 4.727 4.640 0.022 0.000 0.224 316 D C 1.202 177.532 176.300 0.050 0.000 1.157 316 D CA -0.443 53.572 54.000 0.026 0.000 0.828 316 D CB -0.572 40.223 40.800 -0.009 0.000 0.974 316 D HN 0.130 nan 8.370 nan 0.000 0.498 317 F N 1.262 121.146 119.950 -0.109 0.000 2.095 317 F HA -0.245 4.295 4.527 0.022 0.000 0.298 317 F C 2.075 177.844 175.800 -0.053 0.000 1.104 317 F CA 1.867 59.798 58.000 -0.114 0.000 1.232 317 F CB 0.072 38.948 39.000 -0.206 0.000 0.987 317 F HN 0.115 nan 8.300 nan 0.000 0.475 318 H N -1.190 117.786 119.070 -0.157 0.000 2.363 318 H HA -0.091 4.479 4.556 0.022 0.000 0.301 318 H C 2.385 177.595 175.328 -0.197 0.000 1.074 318 H CA 0.947 56.759 56.048 -0.394 0.000 1.354 318 H CB -0.125 29.226 29.762 -0.685 0.000 1.397 318 H HN 0.172 nan 8.280 nan 0.000 0.516 319 R N 1.257 121.841 120.500 0.141 0.000 2.083 319 R HA -0.144 4.210 4.340 0.022 0.000 0.237 319 R C 2.462 178.865 176.300 0.171 0.000 1.137 319 R CA 1.437 57.678 56.100 0.234 0.000 0.951 319 R CB -0.050 30.371 30.300 0.200 0.000 0.851 319 R HN 0.193 nan 8.270 nan 0.000 0.434 320 R N 0.356 120.879 120.500 0.039 0.000 2.073 320 R HA -0.156 4.197 4.340 0.022 0.000 0.234 320 R C 2.199 178.501 176.300 0.002 0.000 1.134 320 R CA 1.779 57.885 56.100 0.009 0.000 0.952 320 R CB -0.289 29.979 30.300 -0.054 0.000 0.850 320 R HN 0.287 nan 8.270 nan 0.000 0.433 321 E N 0.678 120.771 120.200 -0.178 0.000 2.077 321 E HA -0.210 4.154 4.350 0.022 0.000 0.193 321 E C 2.023 178.597 176.600 -0.043 0.000 0.989 321 E CA 1.171 57.442 56.400 -0.216 0.000 0.800 321 E CB -0.089 29.306 29.700 -0.508 0.000 0.746 321 E HN 0.269 nan 8.360 nan 0.000 0.452 322 L N 0.850 122.091 121.223 0.031 0.000 1.994 322 L HA -0.158 4.195 4.340 0.022 0.000 0.208 322 L C 2.256 179.232 176.870 0.176 0.000 1.071 322 L CA 1.907 56.815 54.840 0.113 0.000 0.745 322 L CB -0.987 41.203 42.059 0.219 0.000 0.892 322 L HN 0.315 nan 8.230 nan 0.000 0.431 323 W N 0.943 122.281 121.300 0.063 0.000 2.335 323 W HA -0.211 4.462 4.660 0.022 0.000 0.311 323 W C 2.212 178.764 176.519 0.055 0.000 1.213 323 W CA 2.200 59.593 57.345 0.081 0.000 1.274 323 W CB -0.119 29.391 29.460 0.084 0.000 1.148 323 W HN 0.368 nan 8.180 nan 0.000 0.498 324 E N -0.067 120.310 120.200 0.294 0.000 2.152 324 E HA -0.114 4.249 4.350 0.022 0.000 0.192 324 E C 2.341 178.974 176.600 0.055 0.000 0.983 324 E CA 0.933 57.425 56.400 0.155 0.000 0.818 324 E CB -0.318 29.428 29.700 0.077 0.000 0.758 324 E HN 0.179 nan 8.360 nan 0.000 0.467 325 A N 1.487 124.339 122.820 0.054 0.000 1.877 325 A HA -0.183 4.151 4.320 0.022 0.000 0.216 325 A C 2.183 179.795 177.584 0.047 0.000 1.186 325 A CA 1.107 53.169 52.037 0.043 0.000 0.620 325 A CB -0.589 18.436 19.000 0.041 0.000 0.822 325 A HN 0.124 nan 8.150 nan 0.000 0.443 326 I N -0.377 120.242 120.570 0.082 0.000 2.226 326 I HA -0.258 3.925 4.170 0.022 0.000 0.245 326 I C 2.485 178.667 176.117 0.109 0.000 1.100 326 I CA 1.566 62.964 61.300 0.163 0.000 1.374 326 I CB -0.440 37.587 38.000 0.045 0.000 1.057 326 I HN 0.430 nan 8.210 nan 0.000 0.413 327 E N 0.750 120.962 120.200 0.021 0.000 2.153 327 E HA -0.197 4.166 4.350 0.022 0.000 0.194 327 E C 2.144 178.760 176.600 0.025 0.000 0.988 327 E CA 1.245 57.669 56.400 0.040 0.000 0.811 327 E CB -0.116 29.638 29.700 0.089 0.000 0.746 327 E HN 0.521 nan 8.360 nan 0.000 0.466 328 A N 0.048 122.862 122.820 -0.010 0.000 2.169 328 A HA 0.210 4.543 4.320 0.022 0.000 0.212 328 A C 1.784 179.309 177.584 -0.099 0.000 1.153 328 A CA 0.973 52.988 52.037 -0.037 0.000 0.756 328 A CB -0.060 18.915 19.000 -0.041 0.000 0.813 328 A HN 0.340 nan 8.150 nan 0.000 0.471 329 G N -0.562 108.102 108.800 -0.228 0.000 2.175 329 G HA2 -0.189 3.784 3.960 0.022 0.000 0.244 329 G HA3 -0.189 3.784 3.960 0.022 0.000 0.244 329 G C -0.174 174.238 174.900 -0.814 0.000 0.982 329 G CA 0.220 44.912 45.100 -0.681 0.000 0.641 329 G HN 0.422 nan 8.290 nan 0.000 0.527 330 D N 1.094 121.271 120.400 -0.371 0.000 2.934 330 D HA 0.261 4.915 4.640 0.022 0.000 0.237 330 D C 0.839 177.070 176.300 -0.114 0.000 1.158 330 D CA -0.155 53.723 54.000 -0.204 0.000 0.971 330 D CB -0.760 40.026 40.800 -0.023 0.000 1.123 330 D HN 0.456 nan 8.370 nan 0.000 0.467 331 F N 1.339 121.289 119.950 0.000 0.000 2.612 331 F HA 0.058 4.599 4.527 0.022 0.000 0.389 331 F C -1.379 174.385 175.800 -0.059 0.000 1.055 331 F CA -1.859 56.131 58.000 -0.016 0.000 1.232 331 F CB -0.108 38.892 39.000 0.001 0.000 1.044 331 F HN -0.090 nan 8.300 nan 0.000 0.560 332 P HA 0.029 nan 4.420 nan 0.000 0.262 332 P C -1.038 176.177 177.300 -0.142 0.000 1.199 332 P CA 0.343 63.410 63.100 -0.055 0.000 0.763 332 P CB 0.429 32.170 31.700 0.069 0.000 0.790 333 E N 2.648 122.634 120.200 -0.358 0.000 2.222 333 E HA 0.442 4.805 4.350 0.022 0.000 0.267 333 E C -0.987 175.310 176.600 -0.504 0.000 0.884 333 E CA -0.573 55.670 56.400 -0.262 0.000 0.764 333 E CB 1.395 31.048 29.700 -0.079 0.000 1.169 333 E HN 0.382 nan 8.360 nan 0.000 0.413 334 Y N 0.373 120.738 120.300 0.107 0.000 2.512 334 Y HA 0.259 4.822 4.550 0.022 0.000 0.348 334 Y C -0.216 175.909 175.900 0.375 0.000 0.990 334 Y CA -0.970 57.264 58.100 0.223 0.000 1.033 334 Y CB 2.030 40.586 38.460 0.160 0.000 1.259 334 Y HN 0.461 nan 8.280 nan 0.000 0.461 335 E N 2.667 123.204 120.200 0.562 0.000 2.134 335 E HA 0.387 4.750 4.350 0.022 0.000 0.278 335 E C -1.526 175.364 176.600 0.483 0.000 0.959 335 E CA -0.964 55.720 56.400 0.473 0.000 0.783 335 E CB 1.006 30.912 29.700 0.344 0.000 1.095 335 E HN 0.582 nan 8.360 nan 0.000 0.399 336 L N 4.390 125.831 121.223 0.364 0.000 2.367 336 L HA 0.520 4.873 4.340 0.022 0.000 0.275 336 L C -0.073 176.733 176.870 -0.106 0.000 1.129 336 L CA 0.624 55.385 54.840 -0.133 0.000 0.839 336 L CB 1.006 42.910 42.059 -0.259 0.000 1.133 336 L HN 0.573 nan 8.230 nan 0.000 0.453 337 G N 4.307 113.059 108.800 -0.081 0.000 2.619 337 G HA2 0.572 4.545 3.960 0.022 0.000 0.296 337 G HA3 0.572 4.545 3.960 0.022 0.000 0.296 337 G C -1.661 173.350 174.900 0.184 0.000 1.334 337 G CA -0.551 44.528 45.100 -0.036 0.000 0.934 337 G HN 0.465 nan 8.290 nan 0.000 0.476 338 F N 0.188 120.151 119.950 0.022 0.000 2.507 338 F HA 0.373 4.913 4.527 0.022 0.000 0.325 338 F C 0.362 176.152 175.800 -0.015 0.000 1.116 338 F CA -0.953 57.060 58.000 0.021 0.000 0.930 338 F CB 2.589 41.589 39.000 -0.000 0.000 1.146 338 F HN 0.135 nan 8.300 nan 0.000 0.447 339 Q N 3.977 123.889 119.800 0.187 0.000 2.314 339 Q HA 0.334 4.687 4.340 0.022 0.000 0.257 339 Q C -1.089 174.951 176.000 0.067 0.000 0.975 339 Q CA -0.674 55.187 55.803 0.096 0.000 0.933 339 Q CB 1.452 30.258 28.738 0.113 0.000 1.195 339 Q HN 0.309 nan 8.270 nan 0.000 0.426 340 L N 4.468 125.738 121.223 0.079 0.000 2.307 340 L HA 0.557 4.910 4.340 0.022 0.000 0.284 340 L C -0.321 176.599 176.870 0.083 0.000 1.023 340 L CA -0.343 54.530 54.840 0.055 0.000 0.810 340 L CB 1.373 43.471 42.059 0.066 0.000 1.231 340 L HN 0.618 nan 8.230 nan 0.000 0.423 341 I N 5.167 125.803 120.570 0.109 0.000 2.478 341 I HA 0.314 4.497 4.170 0.022 0.000 0.287 341 I C -2.192 174.033 176.117 0.180 0.000 1.042 341 I CA -1.852 59.556 61.300 0.180 0.000 1.067 341 I CB 2.685 40.822 38.000 0.227 0.000 1.233 341 I HN 0.348 nan 8.210 nan 0.000 0.431 342 P HA -0.007 nan 4.420 nan 0.000 0.267 342 P C 0.535 177.878 177.300 0.071 0.000 1.200 342 P CA 0.115 63.237 63.100 0.037 0.000 0.772 342 P CB 0.866 32.585 31.700 0.032 0.000 0.855 343 E N 1.459 121.605 120.200 -0.091 0.000 2.118 343 E HA -0.259 4.104 4.350 0.022 0.000 0.195 343 E C 0.956 177.624 176.600 0.114 0.000 0.992 343 E CA 1.422 57.769 56.400 -0.088 0.000 0.804 343 E CB 0.018 29.594 29.700 -0.206 0.000 0.741 343 E HN 0.431 nan 8.360 nan 0.000 0.458 344 E N 0.573 120.820 120.200 0.078 0.000 2.338 344 E HA -0.124 4.239 4.350 0.022 0.000 0.197 344 E C 0.646 177.306 176.600 0.099 0.000 1.007 344 E CA 0.967 57.423 56.400 0.094 0.000 0.849 344 E CB 0.062 29.796 29.700 0.057 0.000 0.774 344 E HN 0.248 nan 8.360 nan 0.000 0.506 345 D N 0.151 120.613 120.400 0.102 0.000 2.358 345 D HA -0.012 4.641 4.640 0.022 0.000 0.224 345 D C 1.182 177.510 176.300 0.046 0.000 1.123 345 D CA 0.058 54.090 54.000 0.054 0.000 0.833 345 D CB 0.048 40.886 40.800 0.063 0.000 0.946 345 D HN 0.303 nan 8.370 nan 0.000 0.505 346 E N -0.114 120.088 120.200 0.005 0.000 2.097 346 E HA -0.192 4.171 4.350 0.022 0.000 0.196 346 E C 0.487 176.750 176.600 -0.562 0.000 1.000 346 E CA 1.090 57.281 56.400 -0.347 0.000 0.804 346 E CB 0.017 29.373 29.700 -0.573 0.000 0.740 346 E HN 0.260 nan 8.360 nan 0.000 0.454 347 F N -0.191 119.767 119.950 0.013 0.000 2.639 347 F HA 0.266 4.806 4.527 0.022 0.000 0.300 347 F C 1.312 177.045 175.800 -0.112 0.000 1.109 347 F CA -0.202 57.779 58.000 -0.031 0.000 1.335 347 F CB 0.546 39.535 39.000 -0.017 0.000 1.014 347 F HN -0.179 nan 8.300 nan 0.000 0.537 348 K N 0.090 120.404 120.400 -0.143 0.000 2.487 348 K HA 0.111 4.445 4.320 0.022 0.000 0.192 348 K C -0.298 175.901 176.600 -0.669 0.000 1.027 348 K CA 0.346 56.394 56.287 -0.398 0.000 1.054 348 K CB 0.129 32.308 32.500 -0.535 0.000 0.824 348 K HN 0.151 nan 8.250 nan 0.000 0.510 349 F N -0.075 119.714 119.950 -0.268 0.000 2.557 349 F HA 0.163 4.703 4.527 0.022 0.000 0.336 349 F C 1.245 176.848 175.800 -0.329 0.000 1.058 349 F CA -1.071 56.668 58.000 -0.435 0.000 0.988 349 F CB 0.792 39.120 39.000 -1.119 0.000 1.275 349 F HN -0.211 nan 8.300 nan 0.000 0.488 350 D N 0.350 120.751 120.400 0.001 0.000 2.310 350 D HA -0.040 4.613 4.640 0.022 0.000 0.212 350 D C -0.090 176.303 176.300 0.155 0.000 0.965 350 D CA 1.171 55.239 54.000 0.115 0.000 0.879 350 D CB -0.215 40.736 40.800 0.253 0.000 0.921 350 D HN 0.261 nan 8.370 nan 0.000 0.510 351 F N -0.816 119.212 119.950 0.131 0.000 2.575 351 F HA 0.472 5.012 4.527 0.022 0.000 0.330 351 F C 0.121 175.899 175.800 -0.036 0.000 1.056 351 F CA -1.612 56.381 58.000 -0.012 0.000 0.964 351 F CB 0.803 39.752 39.000 -0.085 0.000 1.258 351 F HN -0.389 nan 8.300 nan 0.000 0.484 352 D N 1.675 122.079 120.400 0.007 0.000 2.308 352 D HA 0.158 4.811 4.640 0.022 0.000 0.251 352 D C 0.966 177.196 176.300 -0.117 0.000 1.127 352 D CA -0.043 53.908 54.000 -0.082 0.000 0.876 352 D CB 1.469 42.226 40.800 -0.071 0.000 1.176 352 D HN 0.757 nan 8.370 nan 0.000 0.446 353 L N 3.295 124.390 121.223 -0.213 0.000 2.265 353 L HA -0.124 4.230 4.340 0.022 0.000 0.215 353 L C 1.903 178.635 176.870 -0.230 0.000 1.117 353 L CA 0.689 55.374 54.840 -0.258 0.000 0.782 353 L CB -0.068 41.700 42.059 -0.487 0.000 0.914 353 L HN 0.441 nan 8.230 nan 0.000 0.441 354 L N -1.130 119.988 121.223 -0.175 0.000 2.592 354 L HA 0.092 4.445 4.340 0.022 0.000 0.227 354 L C 0.360 177.189 176.870 -0.069 0.000 1.127 354 L CA -0.194 54.612 54.840 -0.057 0.000 0.884 354 L CB -0.241 41.879 42.059 0.101 0.000 1.065 354 L HN 0.069 nan 8.230 nan 0.000 0.457 355 D N 1.841 121.973 120.400 -0.447 0.000 2.313 355 D HA 0.131 4.784 4.640 0.022 0.000 0.239 355 D C -1.619 174.482 176.300 -0.332 0.000 1.142 355 D CA -2.284 51.235 54.000 -0.802 0.000 0.847 355 D CB 1.697 41.705 40.800 -1.320 0.000 1.082 355 D HN -0.092 nan 8.370 nan 0.000 0.480 356 P HA -0.030 nan 4.420 nan 0.000 0.241 356 P C 0.858 178.068 177.300 -0.150 0.000 1.191 356 P CA 0.598 63.633 63.100 -0.108 0.000 0.771 356 P CB -0.010 31.703 31.700 0.022 0.000 0.929 357 T N -4.409 110.050 114.554 -0.160 0.000 3.107 357 T HA 0.154 4.517 4.350 0.022 0.000 0.249 357 T C 0.717 175.330 174.700 -0.144 0.000 1.096 357 T CA -0.073 61.945 62.100 -0.138 0.000 1.012 357 T CB -0.203 68.629 68.868 -0.060 0.000 0.977 357 T HN -0.145 nan 8.240 nan 0.000 0.527 358 K N 2.202 122.424 120.400 -0.297 0.000 2.244 358 K HA 0.551 4.884 4.320 0.022 0.000 0.260 358 K C -0.343 176.076 176.600 -0.302 0.000 0.951 358 K CA -0.831 55.153 56.287 -0.506 0.000 0.826 358 K CB 2.184 34.254 32.500 -0.718 0.000 1.108 358 K HN 0.302 nan 8.250 nan 0.000 0.433 359 L N -0.163 121.033 121.223 -0.044 0.000 2.387 359 L HA 0.636 4.989 4.340 0.022 0.000 0.266 359 L C 0.028 176.715 176.870 -0.305 0.000 1.059 359 L CA -0.439 54.315 54.840 -0.143 0.000 0.801 359 L CB 0.277 42.320 42.059 -0.027 0.000 1.223 359 L HN 0.441 nan 8.230 nan 0.000 0.456 360 I N 1.658 122.141 120.570 -0.146 0.000 2.306 360 I HA 0.351 4.534 4.170 0.022 0.000 0.288 360 I C -2.103 174.033 176.117 0.033 0.000 1.036 360 I CA -1.730 59.539 61.300 -0.052 0.000 1.221 360 I CB 1.026 39.022 38.000 -0.006 0.000 1.385 360 I HN 0.455 nan 8.210 nan 0.000 0.472 361 P HA 0.011 nan 4.420 nan 0.000 0.264 361 P C 0.301 177.668 177.300 0.111 0.000 1.193 361 P CA 0.166 63.310 63.100 0.073 0.000 0.763 361 P CB 0.582 32.317 31.700 0.059 0.000 0.810 362 E N 1.806 122.078 120.200 0.120 0.000 2.268 362 E HA -0.180 4.183 4.350 0.022 0.000 0.195 362 E C 1.361 178.014 176.600 0.088 0.000 0.995 362 E CA 0.715 57.174 56.400 0.098 0.000 0.836 362 E CB -0.011 29.745 29.700 0.094 0.000 0.763 362 E HN 0.508 nan 8.360 nan 0.000 0.491 363 E N 0.332 120.586 120.200 0.090 0.000 2.204 363 E HA -0.136 4.227 4.350 0.022 0.000 0.194 363 E C 2.001 178.664 176.600 0.105 0.000 0.989 363 E CA 0.719 57.168 56.400 0.082 0.000 0.824 363 E CB 0.109 29.851 29.700 0.069 0.000 0.756 363 E HN 0.383 nan 8.360 nan 0.000 0.477 364 L N -0.362 120.947 121.223 0.143 0.000 2.168 364 L HA 0.058 4.411 4.340 0.022 0.000 0.203 364 L C 0.678 177.664 176.870 0.194 0.000 1.078 364 L CA 0.471 55.432 54.840 0.202 0.000 0.780 364 L CB 0.370 42.626 42.059 0.329 0.000 0.939 364 L HN -0.199 nan 8.230 nan 0.000 0.451 365 V N 1.219 121.229 119.914 0.159 0.000 2.398 365 V HA 0.318 4.451 4.120 0.022 0.000 0.282 365 V C -2.400 173.740 176.094 0.078 0.000 1.014 365 V CA -1.524 60.853 62.300 0.129 0.000 0.838 365 V CB 1.357 33.256 31.823 0.126 0.000 1.018 365 V HN -0.037 nan 8.190 nan 0.000 0.432 366 P HA 0.159 nan 4.420 nan 0.000 0.272 366 P C -0.271 177.025 177.300 -0.006 0.000 1.223 366 P CA -0.020 63.097 63.100 0.029 0.000 0.784 366 P CB 0.880 32.601 31.700 0.035 0.000 0.923 367 V N 3.501 123.377 119.914 -0.063 0.000 2.455 367 V HA 0.072 4.205 4.120 0.022 0.000 0.273 367 V C 0.751 176.830 176.094 -0.024 0.000 1.045 367 V CA 0.057 62.285 62.300 -0.120 0.000 0.976 367 V CB -0.105 31.556 31.823 -0.269 0.000 0.993 367 V HN 0.453 nan 8.190 nan 0.000 0.475 368 Q N 5.062 124.872 119.800 0.015 0.000 2.274 368 Q HA 0.400 4.753 4.340 0.022 0.000 0.256 368 Q C -0.232 175.765 176.000 -0.006 0.000 0.927 368 Q CA -0.535 55.281 55.803 0.023 0.000 0.939 368 Q CB 1.536 30.303 28.738 0.048 0.000 1.201 368 Q HN 0.610 nan 8.270 nan 0.000 0.426 369 R N 1.404 121.925 120.500 0.035 0.000 2.522 369 R HA 0.037 4.390 4.340 0.022 0.000 0.284 369 R C 0.415 176.761 176.300 0.075 0.000 1.032 369 R CA -0.068 56.096 56.100 0.106 0.000 1.049 369 R CB 0.489 30.909 30.300 0.200 0.000 0.956 369 R HN 0.446 nan 8.270 nan 0.000 0.422 370 V N 1.314 121.177 119.914 -0.085 0.000 3.219 370 V HA 0.312 4.445 4.120 0.022 0.000 0.240 370 V C 0.819 176.653 176.094 -0.433 0.000 1.222 370 V CA 1.042 63.164 62.300 -0.297 0.000 1.181 370 V CB 0.937 32.316 31.823 -0.741 0.000 0.941 370 V HN 1.022 nan 8.190 nan 0.000 0.471 371 G N -0.299 108.130 108.800 -0.619 0.000 2.430 371 G HA2 0.489 4.462 3.960 0.022 0.000 0.300 371 G HA3 0.489 4.462 3.960 0.022 0.000 0.300 371 G C -1.862 172.704 174.900 -0.556 0.000 1.330 371 G CA -0.548 43.895 45.100 -1.094 0.000 0.813 371 G HN 0.055 nan 8.290 nan 0.000 0.487 372 K N -0.430 119.684 120.400 -0.475 0.000 2.371 372 K HA 0.735 5.068 4.320 0.022 0.000 0.251 372 K C -0.879 175.784 176.600 0.104 0.000 0.934 372 K CA -0.781 55.510 56.287 0.007 0.000 0.798 372 K CB 2.078 34.613 32.500 0.058 0.000 1.204 372 K HN 0.591 nan 8.250 nan 0.000 0.427 373 M N 4.624 124.400 119.600 0.294 0.000 2.311 373 M HA 0.409 4.902 4.480 0.022 0.000 0.325 373 M C -1.736 174.542 176.300 -0.037 0.000 1.061 373 M CA -0.778 54.630 55.300 0.180 0.000 0.957 373 M CB 1.669 34.399 32.600 0.217 0.000 1.646 373 M HN 0.347 nan 8.290 nan 0.000 0.434 374 V N 5.728 125.455 119.914 -0.312 0.000 2.487 374 V HA 0.446 4.579 4.120 0.022 0.000 0.298 374 V C -0.922 175.030 176.094 -0.237 0.000 1.028 374 V CA -0.822 61.301 62.300 -0.295 0.000 0.860 374 V CB 1.685 33.205 31.823 -0.505 0.000 0.991 374 V HN 0.668 nan 8.190 nan 0.000 0.427 375 L N 5.940 127.109 121.223 -0.091 0.000 2.259 375 L HA 0.489 4.843 4.340 0.022 0.000 0.288 375 L C 0.693 177.456 176.870 -0.178 0.000 1.051 375 L CA 0.160 54.952 54.840 -0.080 0.000 0.824 375 L CB 0.955 43.027 42.059 0.021 0.000 1.206 375 L HN 0.862 nan 8.230 nan 0.000 0.429 376 N N 2.363 120.863 118.700 -0.334 0.000 2.194 376 N HA 0.163 4.917 4.740 0.022 0.000 0.231 376 N C -0.002 175.320 175.510 -0.313 0.000 1.247 376 N CA -0.278 52.317 53.050 -0.759 0.000 0.884 376 N CB 0.735 38.436 38.487 -1.310 0.000 1.146 376 N HN 0.388 nan 8.380 nan 0.000 0.516 377 R N 0.279 120.703 120.500 -0.126 0.000 2.536 377 R HA 0.288 4.641 4.340 0.022 0.000 0.269 377 R C -1.283 174.970 176.300 -0.078 0.000 1.113 377 R CA -0.538 55.509 56.100 -0.088 0.000 0.948 377 R CB 1.285 31.540 30.300 -0.074 0.000 1.237 377 R HN 0.066 nan 8.270 nan 0.000 0.441 378 N N 2.972 121.503 118.700 -0.282 0.000 2.424 378 N HA 0.285 5.038 4.740 0.022 0.000 0.257 378 N C -2.320 173.136 175.510 -0.091 0.000 1.250 378 N CA -1.314 51.433 53.050 -0.505 0.000 0.946 378 N CB 0.494 37.987 38.487 -1.656 0.000 1.175 378 N HN 0.277 nan 8.380 nan 0.000 0.477 379 P HA 0.069 nan 4.420 nan 0.000 0.272 379 P C 0.276 177.764 177.300 0.313 0.000 1.254 379 P CA -0.022 63.282 63.100 0.341 0.000 0.795 379 P CB 0.848 32.797 31.700 0.416 0.000 1.022 380 D N -1.153 119.404 120.400 0.263 0.000 2.269 380 D HA -0.012 4.641 4.640 0.022 0.000 0.220 380 D C 0.344 176.816 176.300 0.288 0.000 0.962 380 D CA 1.264 55.409 54.000 0.241 0.000 0.884 380 D CB 0.122 41.004 40.800 0.135 0.000 1.023 380 D HN 0.361 nan 8.370 nan 0.000 0.484 381 N N -0.023 118.835 118.700 0.264 0.000 2.448 381 N HA 0.021 4.774 4.740 0.022 0.000 0.279 381 N C 0.119 175.828 175.510 0.330 0.000 1.025 381 N CA -0.312 52.907 53.050 0.281 0.000 0.898 381 N CB 1.541 40.160 38.487 0.219 0.000 1.303 381 N HN -0.153 nan 8.380 nan 0.000 0.495 382 F N 4.382 124.482 119.950 0.250 0.000 2.095 382 F HA -0.204 4.335 4.527 0.021 0.000 0.298 382 F C 1.672 177.600 175.800 0.213 0.000 1.104 382 F CA 1.607 59.755 58.000 0.248 0.000 1.232 382 F CB -0.130 38.989 39.000 0.197 0.000 0.987 382 F HN 0.609 nan 8.300 nan 0.000 0.475 383 F N 0.778 120.952 119.950 0.373 0.000 2.075 383 F HA -0.156 4.385 4.527 0.023 0.000 0.297 383 F C 2.362 178.213 175.800 0.085 0.000 1.113 383 F CA 1.872 60.013 58.000 0.234 0.000 1.218 383 F CB -0.996 38.122 39.000 0.197 0.000 0.984 383 F HN -0.004 nan 8.300 nan 0.000 0.472 384 A N -0.277 122.672 122.820 0.215 0.000 1.908 384 A HA -0.202 4.131 4.320 0.022 0.000 0.218 384 A C 2.071 179.581 177.584 -0.123 0.000 1.181 384 A CA 2.159 54.226 52.037 0.050 0.000 0.627 384 A CB -0.736 18.349 19.000 0.142 0.000 0.818 384 A HN 0.622 nan 8.150 nan 0.000 0.445 385 E N -1.511 118.627 120.200 -0.104 0.000 2.162 385 E HA -0.057 4.306 4.350 0.022 0.000 0.193 385 E C 1.976 178.463 176.600 -0.189 0.000 0.953 385 E CA 0.449 56.717 56.400 -0.221 0.000 0.849 385 E CB -0.121 29.497 29.700 -0.137 0.000 0.810 385 E HN 0.573 nan 8.360 nan 0.000 0.470 386 N N 1.373 119.971 118.700 -0.169 0.000 2.176 386 N HA -0.157 4.596 4.740 0.022 0.000 0.187 386 N C 1.831 177.171 175.510 -0.283 0.000 1.043 386 N CA 1.327 54.236 53.050 -0.236 0.000 0.851 386 N CB 0.036 38.004 38.487 -0.864 0.000 1.018 386 N HN -0.075 nan 8.380 nan 0.000 0.436 387 E N 0.826 120.789 120.200 -0.395 0.000 2.118 387 E HA -0.130 4.233 4.350 0.022 0.000 0.195 387 E C 1.611 178.013 176.600 -0.330 0.000 0.992 387 E CA 1.550 57.784 56.400 -0.278 0.000 0.804 387 E CB -0.160 29.389 29.700 -0.252 0.000 0.741 387 E HN 0.519 nan 8.360 nan 0.000 0.458 388 Q N -0.341 119.195 119.800 -0.440 0.000 2.403 388 Q HA 0.255 4.608 4.340 0.022 0.000 0.203 388 Q C 0.008 175.884 176.000 -0.205 0.000 0.932 388 Q CA 0.206 55.811 55.803 -0.329 0.000 0.945 388 Q CB 0.510 29.036 28.738 -0.354 0.000 1.045 388 Q HN 0.210 nan 8.270 nan 0.000 0.511 389 A N 1.268 123.984 122.820 -0.173 0.000 2.477 389 A HA 0.466 4.799 4.320 0.022 0.000 0.246 389 A C -0.129 177.335 177.584 -0.199 0.000 1.078 389 A CA 0.136 52.050 52.037 -0.206 0.000 0.770 389 A CB 0.255 19.218 19.000 -0.062 0.000 1.011 389 A HN 0.277 nan 8.150 nan 0.000 0.494 390 A N 2.460 125.108 122.820 -0.286 0.000 2.332 390 A HA 0.705 5.038 4.320 0.022 0.000 0.300 390 A C -0.780 176.683 177.584 -0.202 0.000 1.153 390 A CA -0.419 51.525 52.037 -0.155 0.000 0.764 390 A CB 0.310 19.228 19.000 -0.136 0.000 1.174 390 A HN 0.646 nan 8.150 nan 0.000 0.467 391 F N 0.985 120.944 119.950 0.016 0.000 2.458 391 F HA 0.663 5.203 4.527 0.022 0.000 0.330 391 F C 0.335 176.102 175.800 -0.054 0.000 1.082 391 F CA -0.159 57.824 58.000 -0.029 0.000 0.995 391 F CB 1.989 40.919 39.000 -0.116 0.000 1.170 391 F HN 0.748 nan 8.300 nan 0.000 0.478 392 H N 3.089 121.997 119.070 -0.269 0.000 3.042 392 H HA 0.289 4.858 4.556 0.023 0.000 0.345 392 H C -2.478 172.457 175.328 -0.656 0.000 1.052 392 H CA -1.875 53.751 56.048 -0.703 0.000 1.311 392 H CB 2.685 31.932 29.762 -0.858 0.000 1.810 392 H HN 0.178 nan 8.280 nan 0.000 0.505 393 P HA -0.006 nan 4.420 nan 0.000 0.230 393 P C 1.145 178.274 177.300 -0.285 0.000 1.158 393 P CA 1.318 64.083 63.100 -0.558 0.000 0.769 393 P CB 0.139 31.589 31.700 -0.417 0.000 0.807 394 G N -1.039 107.328 108.800 -0.721 0.000 2.534 394 G HA2 -0.145 3.828 3.960 0.022 0.000 0.217 394 G HA3 -0.145 3.828 3.960 0.022 0.000 0.217 394 G C 0.480 175.558 174.900 0.295 0.000 1.128 394 G CA -0.008 45.064 45.100 -0.048 0.000 0.784 394 G HN 0.423 nan 8.290 nan 0.000 0.542 395 H N 0.837 119.992 119.070 0.143 0.000 3.216 395 H HA 0.323 4.892 4.556 0.021 0.000 0.263 395 H C 0.489 175.909 175.328 0.155 0.000 1.601 395 H CA -0.737 55.388 56.048 0.128 0.000 1.509 395 H CB -0.168 29.639 29.762 0.075 0.000 1.759 395 H HN 0.377 nan 8.280 nan 0.000 0.533 396 I N -0.352 120.337 120.570 0.198 0.000 3.100 396 I HA 0.669 4.852 4.170 0.022 0.000 0.312 396 I C -0.135 175.965 176.117 -0.028 0.000 1.063 396 I CA -1.423 59.923 61.300 0.077 0.000 1.031 396 I CB 1.910 39.841 38.000 -0.114 0.000 1.243 396 I HN 0.106 nan 8.210 nan 0.000 0.483 397 V N -1.654 118.228 119.914 -0.052 0.000 3.001 397 V HA 0.674 4.808 4.120 0.022 0.000 0.314 397 V C -2.805 173.387 176.094 0.162 0.000 1.099 397 V CA -2.625 59.706 62.300 0.051 0.000 0.989 397 V CB 1.018 32.861 31.823 0.034 0.000 1.040 397 V HN 0.642 nan 8.190 nan 0.000 0.434 398 P HA 0.295 nan 4.420 nan 0.000 0.260 398 P C 0.932 178.239 177.300 0.012 0.000 1.172 398 P CA 2.047 65.237 63.100 0.149 0.000 0.760 398 P CB 0.420 32.176 31.700 0.092 0.000 0.773 399 G N 1.751 110.511 108.800 -0.066 0.000 2.231 399 G HA2 -0.151 3.822 3.960 0.022 0.000 0.206 399 G HA3 -0.151 3.822 3.960 0.022 0.000 0.206 399 G C -0.282 174.534 174.900 -0.141 0.000 0.996 399 G CA -0.434 44.602 45.100 -0.107 0.000 0.645 399 G HN 0.458 nan 8.290 nan 0.000 0.498 400 L N 0.083 121.238 121.223 -0.113 0.000 2.333 400 L HA 0.915 5.268 4.340 0.022 0.000 0.263 400 L C -0.617 176.200 176.870 -0.088 0.000 1.014 400 L CA -1.065 53.685 54.840 -0.150 0.000 0.820 400 L CB 2.153 44.049 42.059 -0.272 0.000 1.352 400 L HN 0.087 nan 8.230 nan 0.000 0.421 401 D N -0.640 119.694 120.400 -0.110 0.000 2.665 401 D HA 0.468 5.122 4.640 0.022 0.000 0.287 401 D C -1.215 175.025 176.300 -0.100 0.000 1.266 401 D CA -0.338 53.562 54.000 -0.166 0.000 0.830 401 D CB 2.022 42.797 40.800 -0.041 0.000 1.356 401 D HN 0.116 nan 8.370 nan 0.000 0.437 402 F N -0.222 119.863 119.950 0.225 0.000 2.321 402 F HA 0.547 5.087 4.527 0.022 0.000 0.318 402 F C 1.488 177.316 175.800 0.047 0.000 1.129 402 F CA -0.256 57.809 58.000 0.109 0.000 1.074 402 F CB 1.014 40.044 39.000 0.051 0.000 1.432 402 F HN 0.225 nan 8.300 nan 0.000 0.502 403 T N -3.343 111.313 114.554 0.170 0.000 2.716 403 T HA 0.312 4.675 4.350 0.022 0.000 0.286 403 T C -0.160 174.572 174.700 0.055 0.000 1.052 403 T CA -0.958 61.213 62.100 0.119 0.000 1.024 403 T CB 1.175 70.082 68.868 0.065 0.000 1.349 403 T HN 0.330 nan 8.240 nan 0.000 0.525 404 N N 1.075 119.809 118.700 0.056 0.000 2.383 404 N HA 0.080 4.833 4.740 0.022 0.000 0.192 404 N C 0.011 175.527 175.510 0.011 0.000 1.141 404 N CA 0.027 53.095 53.050 0.030 0.000 0.851 404 N CB -0.385 38.137 38.487 0.058 0.000 0.976 404 N HN 0.685 nan 8.380 nan 0.000 0.465 405 D N 2.313 122.706 120.400 -0.012 0.000 2.581 405 D HA -0.076 4.577 4.640 0.022 0.000 0.238 405 D C -1.378 174.917 176.300 -0.008 0.000 1.145 405 D CA -0.869 53.150 54.000 0.032 0.000 0.866 405 D CB 1.326 42.096 40.800 -0.051 0.000 1.151 405 D HN 0.141 nan 8.370 nan 0.000 0.500 406 P HA -0.107 nan 4.420 nan 0.000 0.229 406 P C 1.485 178.796 177.300 0.018 0.000 1.160 406 P CA 0.194 63.303 63.100 0.015 0.000 0.777 406 P CB 0.409 32.108 31.700 -0.002 0.000 0.814 407 L N -0.402 120.852 121.223 0.050 0.000 2.102 407 L HA 0.035 4.388 4.340 0.022 0.000 0.202 407 L C 2.356 179.147 176.870 -0.133 0.000 1.076 407 L CA 1.196 56.061 54.840 0.042 0.000 0.761 407 L CB -1.564 40.600 42.059 0.176 0.000 0.921 407 L HN -0.188 nan 8.230 nan 0.000 0.444 408 L N -0.375 120.609 121.223 -0.399 0.000 2.012 408 L HA -0.239 4.114 4.340 0.022 0.000 0.210 408 L C 2.476 179.099 176.870 -0.412 0.000 1.073 408 L CA 1.830 56.215 54.840 -0.758 0.000 0.748 408 L CB -0.936 40.434 42.059 -1.149 0.000 0.891 408 L HN 0.379 nan 8.230 nan 0.000 0.431 409 Q N -0.162 119.469 119.800 -0.282 0.000 2.077 409 Q HA -0.193 4.160 4.340 0.022 0.000 0.206 409 Q C 2.090 178.012 176.000 -0.130 0.000 0.989 409 Q CA 1.954 57.635 55.803 -0.204 0.000 0.853 409 Q CB -0.873 27.794 28.738 -0.118 0.000 0.907 409 Q HN 0.716 nan 8.270 nan 0.000 0.418 410 G N 0.198 108.954 108.800 -0.074 0.000 2.464 410 G HA2 -0.182 3.791 3.960 0.022 0.000 0.217 410 G HA3 -0.182 3.791 3.960 0.022 0.000 0.217 410 G C 1.513 176.440 174.900 0.045 0.000 1.138 410 G CA 0.081 45.186 45.100 0.007 0.000 0.793 410 G HN 0.234 nan 8.290 nan 0.000 0.539 411 R N -0.069 120.405 120.500 -0.043 0.000 2.105 411 R HA 0.006 4.359 4.340 0.022 0.000 0.239 411 R C 2.490 178.874 176.300 0.140 0.000 1.135 411 R CA 0.957 57.086 56.100 0.048 0.000 0.967 411 R CB -0.488 29.785 30.300 -0.044 0.000 0.861 411 R HN 0.344 nan 8.270 nan 0.000 0.442 412 L N -0.358 120.838 121.223 -0.045 0.000 2.127 412 L HA -0.214 4.139 4.340 0.022 0.000 0.211 412 L C 2.292 179.304 176.870 0.238 0.000 1.089 412 L CA 1.141 55.980 54.840 -0.001 0.000 0.757 412 L CB -0.498 41.408 42.059 -0.255 0.000 0.899 412 L HN 0.159 nan 8.230 nan 0.000 0.434 413 F N 0.284 120.274 119.950 0.067 0.000 2.128 413 F HA -0.203 4.338 4.527 0.022 0.000 0.295 413 F C 2.837 178.680 175.800 0.072 0.000 1.100 413 F CA 1.641 59.675 58.000 0.056 0.000 1.260 413 F CB -0.331 38.681 39.000 0.019 0.000 1.009 413 F HN -0.043 nan 8.300 nan 0.000 0.476 414 S N -0.580 115.142 115.700 0.038 0.000 2.356 414 S HA -0.257 4.226 4.470 0.022 0.000 0.223 414 S C 2.073 176.551 174.600 -0.203 0.000 1.032 414 S CA 1.745 59.866 58.200 -0.131 0.000 1.005 414 S CB -0.884 62.264 63.200 -0.087 0.000 0.867 414 S HN 0.559 nan 8.310 nan 0.000 0.449 415 Y N 1.259 121.518 120.300 -0.068 0.000 2.421 415 Y HA -0.017 4.546 4.550 0.022 0.000 0.292 415 Y C 2.867 178.444 175.900 -0.538 0.000 1.136 415 Y CA 1.161 59.192 58.100 -0.115 0.000 1.255 415 Y CB -0.523 38.315 38.460 0.630 0.000 0.991 415 Y HN 0.283 nan 8.280 nan 0.000 0.552 416 T N -0.868 113.344 114.554 -0.570 0.000 2.894 416 T HA -0.145 4.218 4.350 0.022 0.000 0.258 416 T C 1.384 175.886 174.700 -0.330 0.000 1.043 416 T CA 1.360 63.205 62.100 -0.425 0.000 1.141 416 T CB -0.340 68.345 68.868 -0.305 0.000 0.873 416 T HN 0.326 nan 8.240 nan 0.000 0.449 417 D N 1.033 121.182 120.400 -0.418 0.000 2.106 417 D HA -0.144 4.509 4.640 0.022 0.000 0.191 417 D C 2.271 178.423 176.300 -0.247 0.000 0.997 417 D CA 1.771 55.546 54.000 -0.375 0.000 0.834 417 D CB -0.546 39.873 40.800 -0.636 0.000 0.956 417 D HN 0.224 nan 8.370 nan 0.000 0.448 418 T N -1.191 113.208 114.554 -0.258 0.000 2.803 418 T HA -0.192 4.171 4.350 0.022 0.000 0.269 418 T C 1.527 176.105 174.700 -0.203 0.000 1.052 418 T CA 1.571 63.555 62.100 -0.192 0.000 1.136 418 T CB -0.230 68.520 68.868 -0.196 0.000 0.864 418 T HN 0.169 nan 8.240 nan 0.000 0.467 419 Q N 0.201 119.806 119.800 -0.325 0.000 2.444 419 Q HA 0.225 4.579 4.340 0.022 0.000 0.206 419 Q C 1.865 177.757 176.000 -0.180 0.000 0.948 419 Q CA 0.152 55.741 55.803 -0.358 0.000 0.946 419 Q CB -0.058 28.257 28.738 -0.705 0.000 1.027 419 Q HN 0.465 nan 8.270 nan 0.000 0.513 420 I N -0.051 120.460 120.570 -0.097 0.000 2.286 420 I HA -0.227 3.956 4.170 0.022 0.000 0.248 420 I C 2.019 178.143 176.117 0.013 0.000 1.115 420 I CA 1.662 62.965 61.300 0.006 0.000 1.392 420 I CB -1.277 36.729 38.000 0.010 0.000 1.065 420 I HN 0.265 nan 8.210 nan 0.000 0.418 421 S N 0.209 115.902 115.700 -0.013 0.000 2.427 421 S HA -0.030 4.453 4.470 0.022 0.000 0.224 421 S C 2.161 176.766 174.600 0.009 0.000 1.047 421 S CA 0.021 58.226 58.200 0.009 0.000 0.953 421 S CB -0.318 62.886 63.200 0.007 0.000 0.824 421 S HN 0.264 nan 8.310 nan 0.000 0.502 422 R N 0.973 121.457 120.500 -0.026 0.000 2.083 422 R HA 0.124 4.477 4.340 0.022 0.000 0.237 422 R C 1.184 177.480 176.300 -0.006 0.000 1.137 422 R CA 1.528 57.614 56.100 -0.024 0.000 0.951 422 R CB -0.271 29.991 30.300 -0.064 0.000 0.851 422 R HN 0.444 nan 8.270 nan 0.000 0.434 423 L N -0.674 120.538 121.223 -0.018 0.000 2.965 423 L HA 0.320 4.673 4.340 0.022 0.000 0.254 423 L C 0.810 177.749 176.870 0.115 0.000 1.220 423 L CA 0.237 55.090 54.840 0.022 0.000 1.023 423 L CB 1.100 43.157 42.059 -0.003 0.000 1.355 423 L HN 0.561 nan 8.230 nan 0.000 0.545 424 G N 0.091 108.973 108.800 0.136 0.000 2.189 424 G HA2 -0.173 3.800 3.960 0.022 0.000 0.267 424 G HA3 -0.173 3.800 3.960 0.022 0.000 0.267 424 G C 0.479 175.498 174.900 0.200 0.000 0.975 424 G CA 0.169 45.403 45.100 0.223 0.000 0.644 424 G HN 0.789 nan 8.290 nan 0.000 0.537 425 G N -1.853 107.061 108.800 0.190 0.000 2.327 425 G HA2 0.606 4.579 3.960 0.022 0.000 0.291 425 G HA3 0.606 4.579 3.960 0.022 0.000 0.291 425 G C -2.246 172.813 174.900 0.264 0.000 1.290 425 G CA 0.376 45.577 45.100 0.169 0.000 0.857 425 G HN 0.388 nan 8.290 nan 0.000 0.520 426 P HA 0.121 nan 4.420 nan 0.000 0.249 426 P C 0.353 177.698 177.300 0.075 0.000 1.229 426 P CA 0.379 63.598 63.100 0.199 0.000 0.788 426 P CB 0.224 31.992 31.700 0.113 0.000 1.072 427 N N 0.330 119.064 118.700 0.057 0.000 2.327 427 N HA 0.064 4.817 4.740 0.022 0.000 0.231 427 N C 1.001 176.354 175.510 -0.262 0.000 1.130 427 N CA -0.175 52.780 53.050 -0.159 0.000 0.845 427 N CB -0.598 37.835 38.487 -0.090 0.000 1.073 427 N HN 0.263 nan 8.380 nan 0.000 0.496 428 F N 0.718 120.648 119.950 -0.035 0.000 2.451 428 F HA -0.066 4.474 4.527 0.020 0.000 0.299 428 F C 2.182 177.914 175.800 -0.114 0.000 1.101 428 F CA 0.757 58.715 58.000 -0.070 0.000 1.436 428 F CB -0.725 38.259 39.000 -0.025 0.000 1.074 428 F HN 0.169 nan 8.300 nan 0.000 0.553 429 H N 0.329 119.011 119.070 -0.647 0.000 2.546 429 H HA 0.067 4.637 4.556 0.023 0.000 0.277 429 H C 0.873 176.032 175.328 -0.282 0.000 1.004 429 H CA 1.293 57.056 56.048 -0.476 0.000 1.231 429 H CB -0.726 28.619 29.762 -0.695 0.000 1.382 429 H HN 0.524 nan 8.280 nan 0.000 0.580 430 E N 0.980 120.779 120.200 -0.669 0.000 2.442 430 E HA 0.170 4.533 4.350 0.022 0.000 0.195 430 E C 0.366 176.847 176.600 -0.200 0.000 1.030 430 E CA -0.242 55.918 56.400 -0.400 0.000 0.869 430 E CB 0.508 29.974 29.700 -0.389 0.000 0.857 430 E HN 0.439 nan 8.360 nan 0.000 0.505 431 I N 2.703 123.176 120.570 -0.163 0.000 2.598 431 I HA -0.039 4.144 4.170 0.022 0.000 0.284 431 I C -1.540 174.512 176.117 -0.108 0.000 1.140 431 I CA -1.580 59.654 61.300 -0.109 0.000 1.420 431 I CB 0.588 38.538 38.000 -0.084 0.000 1.387 431 I HN -0.193 nan 8.210 nan 0.000 0.553 432 P HA -0.261 nan 4.420 nan 0.000 0.217 432 P C 1.737 178.961 177.300 -0.126 0.000 1.162 432 P CA 1.369 64.407 63.100 -0.102 0.000 0.901 432 P CB 0.161 31.808 31.700 -0.089 0.000 0.793 433 I N -0.798 119.670 120.570 -0.170 0.000 2.335 433 I HA -0.207 3.976 4.170 0.022 0.000 0.251 433 I C 1.398 177.442 176.117 -0.122 0.000 1.129 433 I CA 1.741 62.895 61.300 -0.243 0.000 1.402 433 I CB -0.676 37.069 38.000 -0.425 0.000 1.069 433 I HN -0.111 nan 8.210 nan 0.000 0.424 434 N N 0.688 119.329 118.700 -0.099 0.000 2.446 434 N HA 0.020 4.773 4.740 0.022 0.000 0.179 434 N C 0.285 175.795 175.510 0.001 0.000 1.054 434 N CA 0.246 53.265 53.050 -0.052 0.000 0.905 434 N CB -0.149 38.323 38.487 -0.025 0.000 0.973 434 N HN 0.389 nan 8.380 nan 0.000 0.448 435 R N 1.661 122.157 120.500 -0.007 0.000 2.570 435 R HA 0.133 4.486 4.340 0.022 0.000 0.277 435 R C -2.225 174.126 176.300 0.085 0.000 1.039 435 R CA -1.168 54.930 56.100 -0.004 0.000 1.065 435 R CB -0.196 30.088 30.300 -0.027 0.000 0.964 435 R HN 0.044 nan 8.270 nan 0.000 0.428 436 P HA -0.020 nan 4.420 nan 0.000 0.269 436 P C 0.552 177.914 177.300 0.103 0.000 1.215 436 P CA 0.032 63.196 63.100 0.107 0.000 0.780 436 P CB 0.658 32.379 31.700 0.036 0.000 0.898 437 T N -2.737 111.890 114.554 0.121 0.000 3.044 437 T HA 0.076 4.440 4.350 0.022 0.000 0.250 437 T C 0.882 175.621 174.700 0.065 0.000 1.081 437 T CA -0.005 62.126 62.100 0.051 0.000 1.040 437 T CB -1.009 67.871 68.868 0.019 0.000 0.962 437 T HN 0.577 nan 8.240 nan 0.000 0.506 438 C N 1.099 120.453 119.300 0.090 0.000 2.345 438 C HA 0.779 5.253 4.460 0.022 0.000 0.369 438 C C -2.482 172.566 174.990 0.096 0.000 1.273 438 C CA -2.527 56.544 59.018 0.088 0.000 2.310 438 C CB 0.032 27.829 27.740 0.096 0.000 2.219 438 C HN 0.159 nan 8.230 nan 0.000 0.587 439 P HA 0.285 nan 4.420 nan 0.000 0.268 439 P C -1.231 176.151 177.300 0.137 0.000 1.205 439 P CA 0.460 63.635 63.100 0.126 0.000 0.771 439 P CB -0.051 31.758 31.700 0.181 0.000 0.858 440 Y N 1.218 121.426 120.300 -0.153 0.000 2.361 440 Y HA 0.621 5.184 4.550 0.021 0.000 0.328 440 Y C -1.484 174.136 175.900 -0.467 0.000 1.044 440 Y CA -0.881 57.108 58.100 -0.186 0.000 1.085 440 Y CB 1.233 39.596 38.460 -0.162 0.000 1.194 440 Y HN 0.431 nan 8.280 nan 0.000 0.438 441 H N 3.959 122.893 119.070 -0.227 0.000 2.865 441 H HA 0.579 5.148 4.556 0.022 0.000 0.362 441 H C -1.125 174.062 175.328 -0.234 0.000 1.114 441 H CA -0.757 55.079 56.048 -0.353 0.000 1.208 441 H CB 1.752 31.356 29.762 -0.262 0.000 1.727 441 H HN 0.884 nan 8.280 nan 0.000 0.534 442 N N 0.283 118.855 118.700 -0.213 0.000 3.378 442 N HA 0.173 4.927 4.740 0.022 0.000 0.294 442 N C -1.180 174.101 175.510 -0.382 0.000 1.544 442 N CA -0.913 51.980 53.050 -0.262 0.000 0.872 442 N CB 0.658 39.148 38.487 0.004 0.000 1.670 442 N HN 0.308 nan 8.380 nan 0.000 0.551 443 F N -0.332 119.655 119.950 0.062 0.000 2.641 443 F HA 0.337 4.877 4.527 0.021 0.000 0.302 443 F C 0.405 176.246 175.800 0.068 0.000 1.098 443 F CA -0.365 57.669 58.000 0.056 0.000 1.318 443 F CB 0.181 39.210 39.000 0.049 0.000 1.035 443 F HN 0.129 nan 8.300 nan 0.000 0.551 444 Q N 1.783 121.688 119.800 0.174 0.000 2.332 444 Q HA 0.374 4.728 4.340 0.022 0.000 0.263 444 Q C 0.056 176.130 176.000 0.124 0.000 0.979 444 Q CA 0.049 55.935 55.803 0.139 0.000 0.885 444 Q CB 1.016 29.816 28.738 0.103 0.000 1.218 444 Q HN 0.120 nan 8.270 nan 0.000 0.405 445 R N 1.688 122.255 120.500 0.112 0.000 2.817 445 R HA 0.355 4.709 4.340 0.022 0.000 0.268 445 R C -0.563 175.783 176.300 0.077 0.000 1.027 445 R CA -0.656 55.501 56.100 0.094 0.000 0.928 445 R CB 1.134 31.491 30.300 0.096 0.000 1.228 445 R HN 0.704 nan 8.270 nan 0.000 0.469 446 D N -0.159 120.278 120.400 0.062 0.000 3.369 446 D HA -0.187 4.466 4.640 0.022 0.000 0.217 446 D C 0.350 176.675 176.300 0.042 0.000 1.532 446 D CA 2.023 56.050 54.000 0.045 0.000 1.126 446 D CB -1.113 39.711 40.800 0.039 0.000 0.683 446 D HN 0.913 nan 8.370 nan 0.000 0.827 447 G N -1.256 107.560 108.800 0.026 0.000 2.705 447 G HA2 0.201 4.174 3.960 0.022 0.000 0.686 447 G HA3 0.201 4.174 3.960 0.022 0.000 0.686 447 G C -0.238 174.654 174.900 -0.013 0.000 1.285 447 G CA 0.061 45.172 45.100 0.018 0.000 0.800 447 G HN 0.795 nan 8.290 nan 0.000 0.611 448 M N 1.641 121.203 119.600 -0.064 0.000 2.250 448 M HA 0.416 4.909 4.480 0.022 0.000 0.337 448 M C 1.327 177.555 176.300 -0.121 0.000 1.161 448 M CA 1.428 56.606 55.300 -0.203 0.000 1.088 448 M CB -0.728 31.631 32.600 -0.402 0.000 1.639 448 M HN 1.315 nan 8.290 nan 0.000 0.447 449 H N -0.385 118.687 119.070 0.004 0.000 2.839 449 H HA -0.182 4.387 4.556 0.021 0.000 0.298 449 H C -0.397 174.919 175.328 -0.019 0.000 1.224 449 H CA 0.539 56.585 56.048 -0.004 0.000 1.144 449 H CB -1.691 28.071 29.762 -0.000 0.000 1.372 449 H HN 0.595 nan 8.280 nan 0.000 0.408 450 R N 1.307 121.846 120.500 0.065 0.000 2.370 450 R HA 0.105 4.458 4.340 0.022 0.000 0.309 450 R C 0.907 177.221 176.300 0.023 0.000 1.059 450 R CA 0.024 56.144 56.100 0.033 0.000 0.981 450 R CB 0.372 30.690 30.300 0.029 0.000 0.972 450 R HN 0.312 nan 8.270 nan 0.000 0.437 451 M N 2.613 122.212 119.600 -0.001 0.000 2.557 451 M HA 0.225 4.718 4.480 0.022 0.000 0.262 451 M C 0.907 177.205 176.300 -0.004 0.000 1.168 451 M CA 0.942 56.238 55.300 -0.006 0.000 1.194 451 M CB -0.747 31.834 32.600 -0.031 0.000 1.311 451 M HN 0.713 nan 8.290 nan 0.000 0.489 452 G N 2.052 110.852 108.800 0.000 0.000 2.343 452 G HA2 0.371 4.345 3.960 0.022 0.000 0.254 452 G HA3 0.371 4.345 3.960 0.022 0.000 0.254 452 G C -0.349 174.549 174.900 -0.004 0.000 1.277 452 G CA -0.332 44.766 45.100 -0.004 0.000 0.909 452 G HN 0.321 nan 8.290 nan 0.000 0.502 453 I N 2.983 123.546 120.570 -0.013 0.000 2.307 453 I HA 0.097 4.280 4.170 0.022 0.000 0.287 453 I C -0.228 175.881 176.117 -0.014 0.000 1.054 453 I CA -0.532 60.764 61.300 -0.006 0.000 1.218 453 I CB 0.897 38.895 38.000 -0.004 0.000 1.398 453 I HN 0.353 nan 8.210 nan 0.000 0.475 454 D N 4.810 125.206 120.400 -0.007 0.000 2.351 454 D HA 0.066 4.719 4.640 0.022 0.000 0.251 454 D C 1.191 177.494 176.300 0.005 0.000 1.137 454 D CA 0.257 54.251 54.000 -0.010 0.000 0.879 454 D CB 1.778 42.577 40.800 -0.001 0.000 1.181 454 D HN 0.567 nan 8.370 nan 0.000 0.448 455 T N -0.857 113.697 114.554 -0.001 0.000 3.040 455 T HA -0.050 4.313 4.350 0.022 0.000 0.250 455 T C 0.847 175.558 174.700 0.017 0.000 1.058 455 T CA -0.543 61.561 62.100 0.007 0.000 0.988 455 T CB 0.174 69.040 68.868 -0.004 0.000 0.993 455 T HN 0.111 nan 8.240 nan 0.000 0.519 456 N N 3.538 122.249 118.700 0.019 0.000 2.359 456 N HA 0.071 4.824 4.740 0.022 0.000 0.261 456 N C -1.529 174.022 175.510 0.069 0.000 1.267 456 N CA -1.454 51.621 53.050 0.042 0.000 0.864 456 N CB 1.422 39.933 38.487 0.041 0.000 1.063 456 N HN 0.088 nan 8.380 nan 0.000 0.474 457 P HA -0.042 nan 4.420 nan 0.000 0.218 457 P C -0.423 176.946 177.300 0.114 0.000 1.148 457 P CA 1.006 64.156 63.100 0.082 0.000 0.822 457 P CB 0.171 31.915 31.700 0.072 0.000 0.784 458 A N 0.627 123.508 122.820 0.102 0.000 2.306 458 A HA 0.421 4.754 4.320 0.022 0.000 0.314 458 A C 0.499 178.208 177.584 0.207 0.000 1.164 458 A CA -0.635 51.437 52.037 0.058 0.000 0.822 458 A CB -0.005 18.854 19.000 -0.235 0.000 1.130 458 A HN 0.296 nan 8.150 nan 0.000 0.496 459 N N -0.037 118.832 118.700 0.282 0.000 2.351 459 N HA 0.364 5.117 4.740 0.022 0.000 0.254 459 N C -0.894 174.813 175.510 0.329 0.000 1.241 459 N CA -0.355 52.923 53.050 0.380 0.000 0.883 459 N CB 0.366 39.019 38.487 0.277 0.000 1.202 459 N HN 0.698 nan 8.380 nan 0.000 0.512 460 Y N -1.037 119.173 120.300 -0.150 0.000 2.609 460 Y HA 0.654 5.217 4.550 0.021 0.000 0.336 460 Y C -1.655 173.660 175.900 -0.974 0.000 1.129 460 Y CA -1.355 56.462 58.100 -0.471 0.000 1.040 460 Y CB 1.032 39.370 38.460 -0.205 0.000 1.310 460 Y HN 0.066 nan 8.280 nan 0.000 0.460 461 E N 1.134 120.836 120.200 -0.830 0.000 2.356 461 E HA 0.653 5.016 4.350 0.022 0.000 0.275 461 E C -3.188 173.289 176.600 -0.206 0.000 0.904 461 E CA -2.057 53.944 56.400 -0.665 0.000 0.757 461 E CB 1.741 30.982 29.700 -0.765 0.000 1.232 461 E HN 0.554 nan 8.360 nan 0.000 0.442 462 P HA 0.275 nan 4.420 nan 0.000 0.275 462 P C -1.275 175.957 177.300 -0.113 0.000 1.227 462 P CA -0.419 62.601 63.100 -0.133 0.000 0.781 462 P CB 0.499 32.161 31.700 -0.063 0.000 0.906 463 N N -1.138 117.420 118.700 -0.237 0.000 2.262 463 N HA 0.378 5.131 4.740 0.022 0.000 0.295 463 N C 0.315 175.769 175.510 -0.092 0.000 1.161 463 N CA -0.773 52.145 53.050 -0.220 0.000 0.767 463 N CB 1.473 39.543 38.487 -0.696 0.000 1.499 463 N HN 0.188 nan 8.380 nan 0.000 0.476 464 S N 0.442 116.138 115.700 -0.006 0.000 2.506 464 S HA 0.001 4.484 4.470 0.022 0.000 0.219 464 S C 1.572 176.184 174.600 0.019 0.000 1.031 464 S CA -0.029 58.172 58.200 0.001 0.000 0.911 464 S CB -0.797 62.416 63.200 0.022 0.000 0.812 464 S HN 0.712 nan 8.310 nan 0.000 0.497 465 I N -0.472 120.119 120.570 0.035 0.000 2.756 465 I HA 0.169 4.353 4.170 0.022 0.000 0.262 465 I C 1.291 177.441 176.117 0.054 0.000 1.225 465 I CA 1.368 62.700 61.300 0.054 0.000 1.472 465 I CB -0.377 37.677 38.000 0.089 0.000 1.094 465 I HN 0.195 nan 8.210 nan 0.000 0.454 466 N N 1.050 119.780 118.700 0.050 0.000 2.299 466 N HA 0.036 4.789 4.740 0.022 0.000 0.246 466 N C -0.031 175.585 175.510 0.176 0.000 1.254 466 N CA -0.020 53.099 53.050 0.116 0.000 0.879 466 N CB 0.015 38.584 38.487 0.138 0.000 1.214 466 N HN 0.230 nan 8.380 nan 0.000 0.510 467 D N 0.699 121.150 120.400 0.086 0.000 2.837 467 D HA -0.257 4.396 4.640 0.022 0.000 0.230 467 D C -0.158 176.035 176.300 -0.178 0.000 1.152 467 D CA 1.125 55.141 54.000 0.027 0.000 0.736 467 D CB -1.403 39.494 40.800 0.161 0.000 1.084 467 D HN 0.477 nan 8.370 nan 0.000 0.429 468 N N -1.703 116.915 118.700 -0.137 0.000 2.782 468 N HA -0.240 4.513 4.740 0.022 0.000 0.251 468 N C -0.916 174.499 175.510 -0.159 0.000 1.101 468 N CA 1.383 54.320 53.050 -0.188 0.000 0.764 468 N CB -1.319 37.013 38.487 -0.259 0.000 1.122 468 N HN 0.530 nan 8.380 nan 0.000 0.561 469 W N 0.944 122.291 121.300 0.079 0.000 2.381 469 W HA 0.469 5.142 4.660 0.021 0.000 0.329 469 W C -1.692 174.857 176.519 0.050 0.000 1.157 469 W CA -1.646 55.726 57.345 0.046 0.000 1.240 469 W CB 0.699 30.137 29.460 -0.037 0.000 1.199 469 W HN -0.036 nan 8.180 nan 0.000 0.579 470 P HA 0.217 nan 4.420 nan 0.000 0.274 470 P C -0.678 176.749 177.300 0.211 0.000 1.231 470 P CA -0.187 63.048 63.100 0.225 0.000 0.790 470 P CB 1.033 32.719 31.700 -0.025 0.000 0.951 471 R N 0.989 121.590 120.500 0.169 0.000 2.668 471 R HA 0.334 4.687 4.340 0.022 0.000 0.279 471 R C 0.326 176.656 176.300 0.050 0.000 0.976 471 R CA -0.846 55.241 56.100 -0.021 0.000 0.978 471 R CB 1.178 31.253 30.300 -0.374 0.000 1.133 471 R HN 0.491 nan 8.270 nan 0.000 0.484 472 E N 0.737 120.955 120.200 0.031 0.000 2.436 472 E HA 0.032 4.395 4.350 0.022 0.000 0.262 472 E C -0.541 176.079 176.600 0.033 0.000 1.063 472 E CA 0.645 57.074 56.400 0.047 0.000 0.944 472 E CB 0.645 30.363 29.700 0.031 0.000 0.950 472 E HN 0.358 nan 8.360 nan 0.000 0.444 473 T N 3.304 117.889 114.554 0.052 0.000 2.879 473 T HA 0.329 4.692 4.350 0.022 0.000 0.290 473 T C -2.489 172.235 174.700 0.040 0.000 0.993 473 T CA -1.539 60.590 62.100 0.048 0.000 0.975 473 T CB 1.519 70.429 68.868 0.069 0.000 0.981 473 T HN 0.229 nan 8.240 nan 0.000 0.439 474 P HA 0.251 nan 4.420 nan 0.000 0.269 474 P C -2.483 174.823 177.300 0.011 0.000 1.215 474 P CA -1.253 61.855 63.100 0.013 0.000 0.780 474 P CB -0.396 31.306 31.700 0.004 0.000 0.898 475 P HA 0.258 nan 4.420 nan 0.000 0.268 475 P C 0.067 177.357 177.300 -0.017 0.000 1.208 475 P CA 0.455 63.541 63.100 -0.024 0.000 0.777 475 P CB 0.506 32.172 31.700 -0.057 0.000 0.875 476 G N 1.045 109.834 108.800 -0.018 0.000 2.495 476 G HA2 0.404 4.377 3.960 0.022 0.000 0.294 476 G HA3 0.404 4.377 3.960 0.022 0.000 0.294 476 G C -2.527 172.364 174.900 -0.015 0.000 1.397 476 G CA -0.756 44.337 45.100 -0.012 0.000 0.790 476 G HN 0.149 nan 8.290 nan 0.000 0.486 477 P HA 0.061 nan 4.420 nan 0.000 0.218 477 P C 0.257 177.553 177.300 -0.006 0.000 1.149 477 P CA 1.159 64.251 63.100 -0.013 0.000 0.817 477 P CB 0.276 31.970 31.700 -0.010 0.000 0.785 478 K N -1.395 119.009 120.400 0.005 0.000 2.527 478 K HA 0.374 4.707 4.320 0.022 0.000 0.260 478 K C -0.106 176.510 176.600 0.027 0.000 0.937 478 K CA -0.873 55.424 56.287 0.017 0.000 0.826 478 K CB 1.937 34.448 32.500 0.018 0.000 1.359 478 K HN -0.340 nan 8.250 nan 0.000 0.434 479 R N -0.321 120.203 120.500 0.040 0.000 3.627 479 R HA -0.161 4.193 4.340 0.022 0.000 0.281 479 R C -0.037 176.294 176.300 0.050 0.000 1.140 479 R CA 1.002 57.132 56.100 0.051 0.000 0.761 479 R CB -2.153 28.176 30.300 0.048 0.000 1.181 479 R HN 0.933 nan 8.270 nan 0.000 0.472 480 G N -0.967 107.859 108.800 0.043 0.000 2.521 480 G HA2 0.636 4.609 3.960 0.022 0.000 0.323 480 G HA3 0.636 4.609 3.960 0.022 0.000 0.323 480 G C 0.284 175.219 174.900 0.057 0.000 1.211 480 G CA 0.037 45.160 45.100 0.039 0.000 0.979 480 G HN 0.245 nan 8.290 nan 0.000 0.490 481 G N -1.340 107.495 108.800 0.058 0.000 2.569 481 G HA2 0.404 4.377 3.960 0.022 0.000 0.249 481 G HA3 0.404 4.377 3.960 0.022 0.000 0.249 481 G C -0.682 174.273 174.900 0.091 0.000 1.216 481 G CA -0.513 44.642 45.100 0.093 0.000 0.845 481 G HN 0.446 nan 8.290 nan 0.000 0.568 482 F N 0.390 120.357 119.950 0.028 0.000 2.456 482 F HA 0.398 4.939 4.527 0.023 0.000 0.358 482 F C 0.524 176.341 175.800 0.028 0.000 1.095 482 F CA -0.151 57.861 58.000 0.021 0.000 1.216 482 F CB 0.879 39.895 39.000 0.027 0.000 1.125 482 F HN 0.436 nan 8.300 nan 0.000 0.549 483 E N 4.116 123.923 120.200 -0.655 0.000 2.263 483 E HA 0.294 4.657 4.350 0.022 0.000 0.268 483 E C -1.155 175.099 176.600 -0.576 0.000 0.884 483 E CA -0.745 55.443 56.400 -0.354 0.000 0.766 483 E CB 1.534 31.121 29.700 -0.190 0.000 1.196 483 E HN 0.625 nan 8.360 nan 0.000 0.416 484 S N 2.489 118.079 115.700 -0.184 0.000 2.572 484 S HA -0.006 4.477 4.470 0.022 0.000 0.279 484 S C -0.480 174.106 174.600 -0.024 0.000 1.341 484 S CA -0.313 57.870 58.200 -0.028 0.000 1.043 484 S CB 0.136 63.449 63.200 0.189 0.000 0.887 484 S HN 0.472 nan 8.310 nan 0.000 0.516 485 Y N 2.342 122.582 120.300 -0.099 0.000 2.610 485 Y HA 0.005 4.568 4.550 0.022 0.000 0.332 485 Y C 0.855 176.736 175.900 -0.032 0.000 1.201 485 Y CA 0.064 58.114 58.100 -0.084 0.000 1.465 485 Y CB 0.238 38.649 38.460 -0.081 0.000 1.283 485 Y HN 0.578 nan 8.280 nan 0.000 0.563 486 Q N 5.366 124.809 119.800 -0.596 0.000 3.223 486 Q HA -0.004 4.349 4.340 0.022 0.000 0.299 486 Q C -0.273 175.421 176.000 -0.509 0.000 1.385 486 Q CA 0.013 55.554 55.803 -0.436 0.000 0.942 486 Q CB -0.241 28.314 28.738 -0.307 0.000 1.748 486 Q HN 0.653 nan 8.270 nan 0.000 0.523 487 E N 1.662 121.652 120.200 -0.351 0.000 2.414 487 E HA -0.020 4.343 4.350 0.022 0.000 0.263 487 E C -0.265 176.302 176.600 -0.056 0.000 1.000 487 E CA -0.313 56.012 56.400 -0.125 0.000 0.914 487 E CB 0.664 30.432 29.700 0.114 0.000 0.948 487 E HN 0.260 nan 8.360 nan 0.000 0.444 488 R N 3.308 123.797 120.500 -0.018 0.000 2.401 488 R HA 0.163 4.516 4.340 0.022 0.000 0.299 488 R C -1.235 175.085 176.300 0.034 0.000 1.064 488 R CA -0.332 55.769 56.100 0.002 0.000 1.000 488 R CB 0.603 30.913 30.300 0.018 0.000 0.973 488 R HN 0.310 nan 8.270 nan 0.000 0.438 489 V N 4.718 124.645 119.914 0.022 0.000 2.417 489 V HA 0.371 4.505 4.120 0.022 0.000 0.291 489 V C -0.289 175.818 176.094 0.021 0.000 1.024 489 V CA -0.477 61.841 62.300 0.030 0.000 0.861 489 V CB 1.510 33.349 31.823 0.027 0.000 0.985 489 V HN 0.822 nan 8.190 nan 0.000 0.436 490 E N 2.619 122.833 120.200 0.024 0.000 2.287 490 E HA 0.643 5.006 4.350 0.022 0.000 0.274 490 E C -0.433 176.173 176.600 0.009 0.000 0.896 490 E CA -0.128 56.280 56.400 0.013 0.000 0.788 490 E CB 2.202 31.910 29.700 0.013 0.000 1.244 490 E HN 0.982 nan 8.360 nan 0.000 0.408 491 G N 2.923 111.724 108.800 0.001 0.000 2.337 491 G HA2 0.041 4.014 3.960 0.022 0.000 0.298 491 G HA3 0.041 4.014 3.960 0.022 0.000 0.298 491 G C -1.380 173.515 174.900 -0.009 0.000 1.335 491 G CA -0.935 44.161 45.100 -0.005 0.000 0.875 491 G HN 0.394 nan 8.290 nan 0.000 0.579 492 N N 0.079 118.770 118.700 -0.014 0.000 2.476 492 N HA 0.353 5.106 4.740 0.022 0.000 0.275 492 N C -0.191 175.307 175.510 -0.021 0.000 1.190 492 N CA -0.335 52.705 53.050 -0.016 0.000 0.977 492 N CB 1.195 39.671 38.487 -0.018 0.000 1.200 492 N HN 0.474 nan 8.380 nan 0.000 0.515 493 K N 0.987 121.375 120.400 -0.021 0.000 2.307 493 K HA 0.172 4.505 4.320 0.022 0.000 0.285 493 K C -0.308 176.272 176.600 -0.035 0.000 1.073 493 K CA -0.129 56.142 56.287 -0.027 0.000 0.996 493 K CB -0.117 32.368 32.500 -0.025 0.000 0.994 493 K HN 0.334 nan 8.250 nan 0.000 0.452 494 V N 0.221 120.110 119.914 -0.042 0.000 2.962 494 V HA 0.496 4.630 4.120 0.022 0.000 0.313 494 V C -0.447 175.608 176.094 -0.066 0.000 1.099 494 V CA -1.339 60.931 62.300 -0.050 0.000 0.971 494 V CB 2.078 33.873 31.823 -0.047 0.000 1.028 494 V HN 0.611 nan 8.190 nan 0.000 0.430 495 R N 2.028 122.485 120.500 -0.072 0.000 2.666 495 R HA 0.558 4.911 4.340 0.022 0.000 0.275 495 R C -0.543 175.709 176.300 -0.079 0.000 1.266 495 R CA -0.132 55.912 56.100 -0.093 0.000 1.401 495 R CB 0.776 31.008 30.300 -0.114 0.000 1.145 495 R HN 0.931 nan 8.270 nan 0.000 0.581 496 E N 1.712 121.862 120.200 -0.084 0.000 2.290 496 E HA 0.250 4.613 4.350 0.022 0.000 0.274 496 E C -1.197 175.336 176.600 -0.112 0.000 0.889 496 E CA -1.052 55.301 56.400 -0.078 0.000 0.760 496 E CB 1.611 31.271 29.700 -0.065 0.000 1.206 496 E HN 0.080 nan 8.360 nan 0.000 0.419 497 R N 1.814 122.253 120.500 -0.102 0.000 2.389 497 R HA 0.197 4.551 4.340 0.022 0.000 0.295 497 R C -0.506 175.682 176.300 -0.187 0.000 1.075 497 R CA 0.084 56.084 56.100 -0.167 0.000 1.005 497 R CB 1.145 31.405 30.300 -0.067 0.000 0.987 497 R HN 0.397 nan 8.270 nan 0.000 0.452 498 S N 4.937 120.422 115.700 -0.357 0.000 2.549 498 S HA 0.123 4.607 4.470 0.022 0.000 0.286 498 S C -1.518 173.063 174.600 -0.032 0.000 1.314 498 S CA -1.222 56.862 58.200 -0.193 0.000 1.062 498 S CB 0.672 63.734 63.200 -0.230 0.000 0.865 498 S HN 0.558 nan 8.310 nan 0.000 0.498 499 P HA -0.097 nan 4.420 nan 0.000 0.219 499 P C 1.479 178.832 177.300 0.088 0.000 1.146 499 P CA 1.220 64.345 63.100 0.042 0.000 0.808 499 P CB -0.195 31.518 31.700 0.022 0.000 0.779 500 S N -2.083 113.710 115.700 0.155 0.000 2.469 500 S HA -0.107 4.376 4.470 0.022 0.000 0.238 500 S C 1.474 176.222 174.600 0.247 0.000 0.998 500 S CA 0.819 59.136 58.200 0.195 0.000 0.957 500 S CB -1.373 61.973 63.200 0.243 0.000 0.764 500 S HN -0.024 nan 8.310 nan 0.000 0.514 501 F N 2.173 122.106 119.950 -0.028 0.000 2.743 501 F HA 0.381 4.921 4.527 0.022 0.000 0.297 501 F C 2.047 177.763 175.800 -0.140 0.000 1.131 501 F CA -0.693 57.283 58.000 -0.040 0.000 1.426 501 F CB -0.698 38.314 39.000 0.020 0.000 1.116 501 F HN 0.340 nan 8.300 nan 0.000 0.583 502 G N 0.713 109.503 108.800 -0.018 0.000 3.353 502 G HA2 0.058 4.031 3.960 0.022 0.000 0.247 502 G HA3 0.058 4.031 3.960 0.022 0.000 0.247 502 G C -0.008 174.443 174.900 -0.749 0.000 1.025 502 G CA 0.175 45.070 45.100 -0.341 0.000 1.863 502 G HN 0.047 nan 8.290 nan 0.000 0.635 503 E N 0.131 119.801 120.200 -0.885 0.000 2.260 503 E HA 0.322 4.685 4.350 0.022 0.000 0.266 503 E C -0.910 175.257 176.600 -0.723 0.000 0.887 503 E CA -0.774 55.223 56.400 -0.671 0.000 0.777 503 E CB 1.480 31.028 29.700 -0.253 0.000 1.205 503 E HN 0.229 nan 8.360 nan 0.000 0.414 504 Y N 2.668 122.755 120.300 -0.355 0.000 2.471 504 Y HA 0.200 4.763 4.550 0.022 0.000 0.249 504 Y C 0.653 176.271 175.900 -0.471 0.000 1.116 504 Y CA -0.138 57.662 58.100 -0.500 0.000 1.240 504 Y CB 0.417 38.421 38.460 -0.759 0.000 1.251 504 Y HN 0.422 nan 8.280 nan 0.000 0.527 505 Y N -1.337 119.047 120.300 0.140 0.000 2.483 505 Y HA 0.081 4.644 4.550 0.022 0.000 0.258 505 Y C 2.427 178.387 175.900 0.099 0.000 1.083 505 Y CA 0.182 58.358 58.100 0.127 0.000 1.283 505 Y CB -0.385 38.156 38.460 0.135 0.000 1.178 505 Y HN 0.055 nan 8.280 nan 0.000 0.515 506 S N -0.504 115.328 115.700 0.220 0.000 2.382 506 S HA -0.213 4.270 4.470 0.022 0.000 0.228 506 S C 1.481 176.154 174.600 0.122 0.000 1.027 506 S CA 1.722 60.029 58.200 0.179 0.000 0.991 506 S CB -0.582 62.729 63.200 0.184 0.000 0.823 506 S HN 0.437 nan 8.310 nan 0.000 0.469 507 H N 2.901 121.879 119.070 -0.152 0.000 2.326 507 H HA 0.175 4.745 4.556 0.022 0.000 0.301 507 H C -0.571 174.539 175.328 -0.363 0.000 1.081 507 H CA 1.395 57.188 56.048 -0.425 0.000 1.334 507 H CB -1.808 27.480 29.762 -0.789 0.000 1.385 507 H HN 0.383 nan 8.280 nan 0.000 0.504 508 P HA -0.198 nan 4.420 nan 0.000 0.216 508 P C 1.510 178.996 177.300 0.309 0.000 1.157 508 P CA 1.844 65.092 63.100 0.248 0.000 0.880 508 P CB 0.061 31.933 31.700 0.287 0.000 0.791 509 R N -0.426 120.208 120.500 0.223 0.000 2.081 509 R HA -0.132 4.221 4.340 0.022 0.000 0.235 509 R C 2.164 178.597 176.300 0.222 0.000 1.131 509 R CA 1.198 57.435 56.100 0.229 0.000 0.960 509 R CB -1.069 29.326 30.300 0.159 0.000 0.856 509 R HN 0.070 nan 8.270 nan 0.000 0.436 510 L N 0.463 121.759 121.223 0.121 0.000 2.046 510 L HA -0.120 4.233 4.340 0.022 0.000 0.208 510 L C 1.971 178.898 176.870 0.095 0.000 1.077 510 L CA 1.711 56.583 54.840 0.054 0.000 0.747 510 L CB -0.702 41.315 42.059 -0.070 0.000 0.896 510 L HN 0.247 nan 8.230 nan 0.000 0.432 511 F N -0.724 119.253 119.950 0.045 0.000 2.075 511 F HA -0.273 4.268 4.527 0.022 0.000 0.297 511 F C 2.341 178.131 175.800 -0.017 0.000 1.113 511 F CA 2.168 60.165 58.000 -0.006 0.000 1.218 511 F CB -0.643 38.375 39.000 0.031 0.000 0.984 511 F HN 0.381 nan 8.300 nan 0.000 0.472 512 W N 1.528 122.799 121.300 -0.049 0.000 2.317 512 W HA -0.269 4.404 4.660 0.022 0.000 0.318 512 W C 1.788 178.174 176.519 -0.222 0.000 1.227 512 W CA 1.970 59.232 57.345 -0.137 0.000 1.269 512 W CB -0.809 28.673 29.460 0.037 0.000 1.155 512 W HN 0.098 nan 8.180 nan 0.000 0.484 513 L N 1.115 122.230 121.223 -0.180 0.000 2.275 513 L HA -0.170 4.183 4.340 0.022 0.000 0.215 513 L C 2.374 179.047 176.870 -0.329 0.000 1.119 513 L CA 1.173 55.854 54.840 -0.265 0.000 0.790 513 L CB -0.726 41.315 42.059 -0.030 0.000 0.919 513 L HN -0.120 nan 8.230 nan 0.000 0.443 514 S N -1.483 114.006 115.700 -0.352 0.000 2.528 514 S HA 0.036 4.519 4.470 0.022 0.000 0.219 514 S C 0.751 175.069 174.600 -0.471 0.000 0.985 514 S CA 0.129 58.123 58.200 -0.343 0.000 0.914 514 S CB 0.027 63.060 63.200 -0.280 0.000 0.776 514 S HN 0.310 nan 8.310 nan 0.000 0.526 515 Q N 2.242 121.650 119.800 -0.654 0.000 2.306 515 Q HA 0.270 4.623 4.340 0.022 0.000 0.241 515 Q C 0.647 176.256 176.000 -0.653 0.000 0.948 515 Q CA -0.075 55.308 55.803 -0.700 0.000 0.886 515 Q CB 0.347 28.591 28.738 -0.823 0.000 1.227 515 Q HN 0.428 nan 8.270 nan 0.000 0.457 516 T N -1.758 112.370 114.554 -0.711 0.000 2.766 516 T HA 0.147 4.510 4.350 0.022 0.000 0.295 516 T C -1.724 172.507 174.700 -0.782 0.000 1.024 516 T CA -1.300 60.343 62.100 -0.762 0.000 1.018 516 T CB 0.237 68.407 68.868 -1.163 0.000 1.002 516 T HN 0.231 nan 8.240 nan 0.000 0.532 517 P HA -0.021 nan 4.420 nan 0.000 0.216 517 P C 1.386 178.473 177.300 -0.355 0.000 1.150 517 P CA 1.028 63.905 63.100 -0.372 0.000 0.837 517 P CB -0.274 31.327 31.700 -0.165 0.000 0.786 518 F N -0.382 119.370 119.950 -0.330 0.000 2.325 518 F HA 0.091 4.631 4.527 0.022 0.000 0.299 518 F C 1.817 177.265 175.800 -0.587 0.000 1.090 518 F CA 0.707 58.448 58.000 -0.432 0.000 1.392 518 F CB -1.497 37.226 39.000 -0.461 0.000 1.053 518 F HN -0.102 nan 8.300 nan 0.000 0.521 519 E N 0.599 120.249 120.200 -0.917 0.000 2.072 519 E HA -0.187 4.176 4.350 0.022 0.000 0.191 519 E C 2.211 178.627 176.600 -0.307 0.000 0.985 519 E CA 1.256 57.327 56.400 -0.549 0.000 0.801 519 E CB -0.219 29.101 29.700 -0.633 0.000 0.750 519 E HN 0.607 nan 8.360 nan 0.000 0.452 520 Q N 0.269 119.802 119.800 -0.445 0.000 2.084 520 Q HA -0.210 4.143 4.340 0.022 0.000 0.202 520 Q C 2.247 178.293 176.000 0.078 0.000 0.978 520 Q CA 1.294 56.879 55.803 -0.364 0.000 0.844 520 Q CB -0.134 28.107 28.738 -0.828 0.000 0.898 520 Q HN -0.007 nan 8.270 nan 0.000 0.426 521 R N 0.422 120.933 120.500 0.019 0.000 2.083 521 R HA -0.165 4.189 4.340 0.022 0.000 0.237 521 R C 1.724 178.210 176.300 0.309 0.000 1.137 521 R CA 1.941 58.141 56.100 0.167 0.000 0.951 521 R CB -0.508 29.866 30.300 0.124 0.000 0.851 521 R HN 0.472 nan 8.270 nan 0.000 0.434 522 H N -0.773 118.387 119.070 0.150 0.000 2.387 522 H HA -0.063 4.506 4.556 0.022 0.000 0.299 522 H C 2.059 177.498 175.328 0.185 0.000 1.090 522 H CA 1.289 57.440 56.048 0.172 0.000 1.332 522 H CB -0.009 29.858 29.762 0.175 0.000 1.386 522 H HN 0.211 nan 8.280 nan 0.000 0.516 523 I N 0.125 120.908 120.570 0.355 0.000 2.202 523 I HA -0.246 3.937 4.170 0.022 0.000 0.242 523 I C 2.346 178.741 176.117 0.464 0.000 1.091 523 I CA 0.760 62.298 61.300 0.396 0.000 1.368 523 I CB -0.137 38.187 38.000 0.540 0.000 1.058 523 I HN 0.075 nan 8.210 nan 0.000 0.410 524 V N 0.886 121.071 119.914 0.451 0.000 2.332 524 V HA -0.310 3.823 4.120 0.022 0.000 0.248 524 V C 2.029 178.294 176.094 0.285 0.000 1.055 524 V CA 2.038 64.554 62.300 0.360 0.000 1.038 524 V CB -0.671 31.321 31.823 0.283 0.000 0.651 524 V HN 0.414 nan 8.190 nan 0.000 0.450 525 D N 0.397 120.948 120.400 0.253 0.000 2.144 525 D HA -0.085 4.568 4.640 0.022 0.000 0.200 525 D C 2.183 178.556 176.300 0.121 0.000 0.978 525 D CA 1.504 55.616 54.000 0.188 0.000 0.833 525 D CB -0.591 40.323 40.800 0.190 0.000 0.961 525 D HN 0.466 nan 8.370 nan 0.000 0.470 526 G N 0.196 109.046 108.800 0.083 0.000 2.433 526 G HA2 -0.261 3.712 3.960 0.022 0.000 0.216 526 G HA3 -0.261 3.712 3.960 0.022 0.000 0.216 526 G C 1.468 176.361 174.900 -0.012 0.000 1.186 526 G CA 0.285 45.345 45.100 -0.067 0.000 0.779 526 G HN 0.164 nan 8.290 nan 0.000 0.543 527 F N 1.859 121.845 119.950 0.060 0.000 2.095 527 F HA -0.105 4.435 4.527 0.022 0.000 0.298 527 F C 3.200 178.913 175.800 -0.146 0.000 1.104 527 F CA 1.673 59.643 58.000 -0.050 0.000 1.232 527 F CB -0.455 38.523 39.000 -0.037 0.000 0.987 527 F HN 0.091 nan 8.300 nan 0.000 0.475 528 S N -0.091 115.699 115.700 0.150 0.000 2.356 528 S HA -0.227 4.257 4.470 0.022 0.000 0.223 528 S C 1.874 176.482 174.600 0.014 0.000 1.032 528 S CA 1.393 59.626 58.200 0.054 0.000 1.005 528 S CB -0.861 62.394 63.200 0.093 0.000 0.867 528 S HN 0.406 nan 8.310 nan 0.000 0.449 529 F N 2.542 122.443 119.950 -0.082 0.000 2.102 529 F HA -0.104 4.436 4.527 0.022 0.000 0.298 529 F C 2.363 178.090 175.800 -0.122 0.000 1.105 529 F CA 1.514 59.453 58.000 -0.102 0.000 1.239 529 F CB -0.304 38.571 39.000 -0.208 0.000 0.991 529 F HN 0.125 nan 8.300 nan 0.000 0.474 530 E N 0.586 120.756 120.200 -0.050 0.000 2.077 530 E HA -0.217 4.146 4.350 0.022 0.000 0.193 530 E C 2.364 178.756 176.600 -0.347 0.000 0.989 530 E CA 1.653 57.992 56.400 -0.101 0.000 0.800 530 E CB -0.508 29.289 29.700 0.162 0.000 0.746 530 E HN 0.483 nan 8.360 nan 0.000 0.452 531 L N 1.274 122.210 121.223 -0.479 0.000 2.201 531 L HA -0.135 4.218 4.340 0.022 0.000 0.212 531 L C 2.724 179.422 176.870 -0.286 0.000 1.105 531 L CA 1.120 55.668 54.840 -0.486 0.000 0.775 531 L CB -0.454 41.341 42.059 -0.440 0.000 0.913 531 L HN 0.151 nan 8.230 nan 0.000 0.440 532 S N -0.669 114.873 115.700 -0.263 0.000 2.447 532 S HA -0.101 4.382 4.470 0.022 0.000 0.233 532 S C 1.733 176.204 174.600 -0.216 0.000 1.006 532 S CA 0.562 58.632 58.200 -0.216 0.000 0.957 532 S CB -0.100 62.971 63.200 -0.215 0.000 0.773 532 S HN 0.288 nan 8.310 nan 0.000 0.507 533 K N 1.297 121.542 120.400 -0.258 0.000 2.444 533 K HA 0.303 4.636 4.320 0.022 0.000 0.193 533 K C -0.120 176.472 176.600 -0.013 0.000 1.024 533 K CA 0.014 56.219 56.287 -0.137 0.000 1.077 533 K CB 0.096 32.508 32.500 -0.147 0.000 0.833 533 K HN 0.321 nan 8.250 nan 0.000 0.517 534 V N 2.179 122.065 119.914 -0.047 0.000 2.408 534 V HA 0.010 4.143 4.120 0.022 0.000 0.267 534 V C 1.720 177.802 176.094 -0.020 0.000 1.047 534 V CA -0.124 62.178 62.300 0.003 0.000 0.937 534 V CB 1.356 33.153 31.823 -0.043 0.000 0.999 534 V HN -0.124 nan 8.190 nan 0.000 0.472 535 V N 5.004 124.932 119.914 0.022 0.000 2.453 535 V HA -0.050 4.083 4.120 0.022 0.000 0.247 535 V C 1.331 177.417 176.094 -0.013 0.000 1.048 535 V CA 1.274 63.583 62.300 0.015 0.000 1.049 535 V CB -0.483 31.369 31.823 0.048 0.000 0.672 535 V HN 0.757 nan 8.190 nan 0.000 0.457 536 R N 0.953 121.423 120.500 -0.050 0.000 2.248 536 R HA 0.177 4.530 4.340 0.022 0.000 0.337 536 R C -1.654 174.539 176.300 -0.178 0.000 1.085 536 R CA -1.434 54.611 56.100 -0.090 0.000 0.934 536 R CB 0.572 30.767 30.300 -0.175 0.000 1.034 536 R HN 0.252 nan 8.270 nan 0.000 0.465 537 P HA -0.233 nan 4.420 nan 0.000 0.216 537 P C 0.827 178.095 177.300 -0.054 0.000 1.150 537 P CA 1.303 64.376 63.100 -0.044 0.000 0.843 537 P CB -0.043 31.667 31.700 0.017 0.000 0.787 538 Y N -1.125 119.176 120.300 0.001 0.000 2.274 538 Y HA -0.110 4.453 4.550 0.022 0.000 0.290 538 Y C 1.982 177.888 175.900 0.011 0.000 1.145 538 Y CA 0.814 58.916 58.100 0.003 0.000 1.203 538 Y CB -1.772 36.690 38.460 0.003 0.000 0.984 538 Y HN -0.109 nan 8.280 nan 0.000 0.533 539 I N 0.893 120.997 120.570 -0.775 0.000 2.315 539 I HA -0.250 3.934 4.170 0.022 0.000 0.248 539 I C 2.508 178.528 176.117 -0.161 0.000 1.117 539 I CA 1.418 62.466 61.300 -0.420 0.000 1.404 539 I CB -0.412 37.348 38.000 -0.400 0.000 1.071 539 I HN 0.215 nan 8.210 nan 0.000 0.419 540 R N 0.829 121.230 120.500 -0.164 0.000 2.081 540 R HA -0.176 4.177 4.340 0.022 0.000 0.235 540 R C 2.114 178.364 176.300 -0.084 0.000 1.131 540 R CA 1.433 57.453 56.100 -0.133 0.000 0.960 540 R CB -0.386 29.836 30.300 -0.131 0.000 0.856 540 R HN 0.470 nan 8.270 nan 0.000 0.436 541 E N 0.518 120.690 120.200 -0.045 0.000 2.077 541 E HA -0.155 4.208 4.350 0.022 0.000 0.193 541 E C 2.128 178.732 176.600 0.006 0.000 0.989 541 E CA 0.995 57.389 56.400 -0.010 0.000 0.800 541 E CB -0.034 29.684 29.700 0.029 0.000 0.746 541 E HN 0.278 nan 8.360 nan 0.000 0.452 542 R N 0.365 120.883 120.500 0.030 0.000 2.120 542 R HA -0.093 4.260 4.340 0.022 0.000 0.234 542 R C 2.353 178.676 176.300 0.039 0.000 1.123 542 R CA 1.004 57.135 56.100 0.051 0.000 0.975 542 R CB -0.179 30.171 30.300 0.083 0.000 0.866 542 R HN 0.077 nan 8.270 nan 0.000 0.446 543 V N 0.220 120.150 119.914 0.026 0.000 2.453 543 V HA -0.156 3.977 4.120 0.022 0.000 0.247 543 V C 2.283 178.356 176.094 -0.034 0.000 1.048 543 V CA 1.219 63.546 62.300 0.045 0.000 1.049 543 V CB -0.164 31.700 31.823 0.068 0.000 0.672 543 V HN 0.095 nan 8.190 nan 0.000 0.457 544 V N 0.702 120.573 119.914 -0.071 0.000 2.343 544 V HA -0.324 3.809 4.120 0.022 0.000 0.247 544 V C 2.322 178.375 176.094 -0.067 0.000 1.051 544 V CA 2.553 64.790 62.300 -0.106 0.000 1.036 544 V CB -0.651 31.114 31.823 -0.095 0.000 0.654 544 V HN 0.668 nan 8.190 nan 0.000 0.451 545 D N -0.928 119.465 120.400 -0.012 0.000 2.123 545 D HA -0.213 4.440 4.640 0.022 0.000 0.196 545 D C 2.258 178.636 176.300 0.129 0.000 0.992 545 D CA 1.218 55.243 54.000 0.042 0.000 0.833 545 D CB -0.004 40.838 40.800 0.070 0.000 0.954 545 D HN 0.324 nan 8.370 nan 0.000 0.455 546 Q N -0.119 119.733 119.800 0.087 0.000 2.084 546 Q HA -0.102 4.251 4.340 0.022 0.000 0.202 546 Q C 2.594 178.630 176.000 0.059 0.000 0.978 546 Q CA 0.761 56.626 55.803 0.103 0.000 0.844 546 Q CB -0.404 28.404 28.738 0.116 0.000 0.898 546 Q HN 0.468 nan 8.270 nan 0.000 0.426 547 L N 0.114 121.302 121.223 -0.059 0.000 2.127 547 L HA -0.157 4.196 4.340 0.022 0.000 0.211 547 L C 2.330 179.086 176.870 -0.190 0.000 1.089 547 L CA 1.031 55.759 54.840 -0.187 0.000 0.757 547 L CB -0.678 41.165 42.059 -0.360 0.000 0.899 547 L HN 0.106 nan 8.230 nan 0.000 0.434 548 A N -0.829 121.900 122.820 -0.152 0.000 2.121 548 A HA -0.188 4.145 4.320 0.022 0.000 0.218 548 A C 1.735 179.133 177.584 -0.311 0.000 1.154 548 A CA 1.173 53.083 52.037 -0.213 0.000 0.679 548 A CB -0.691 18.189 19.000 -0.199 0.000 0.795 548 A HN 0.444 nan 8.150 nan 0.000 0.458 549 H N -1.218 117.647 119.070 -0.342 0.000 2.548 549 H HA 0.260 4.829 4.556 0.022 0.000 0.268 549 H C 1.566 176.632 175.328 -0.437 0.000 0.975 549 H CA 0.955 56.673 56.048 -0.550 0.000 1.195 549 H CB 0.078 29.082 29.762 -1.263 0.000 1.397 549 H HN 0.501 nan 8.280 nan 0.000 0.572 550 I N -1.144 119.333 120.570 -0.154 0.000 2.685 550 I HA 0.076 4.259 4.170 0.022 0.000 0.251 550 I C -0.117 175.930 176.117 -0.117 0.000 1.102 550 I CA 0.467 61.739 61.300 -0.048 0.000 1.442 550 I CB 0.664 38.668 38.000 0.007 0.000 1.194 550 I HN 0.102 nan 8.210 nan 0.000 0.448 551 D N -0.796 119.463 120.400 -0.236 0.000 2.878 551 D HA 0.174 4.827 4.640 0.022 0.000 0.211 551 D C 0.210 176.343 176.300 -0.279 0.000 1.271 551 D CA -0.400 53.440 54.000 -0.267 0.000 0.845 551 D CB 1.369 41.877 40.800 -0.487 0.000 1.679 551 D HN -0.186 nan 8.370 nan 0.000 0.536 552 L N 2.632 123.751 121.223 -0.173 0.000 2.141 552 L HA -0.036 4.317 4.340 0.022 0.000 0.209 552 L C 1.662 178.450 176.870 -0.136 0.000 1.094 552 L CA 1.728 56.479 54.840 -0.148 0.000 0.763 552 L CB -0.890 41.111 42.059 -0.097 0.000 0.908 552 L HN 0.633 nan 8.230 nan 0.000 0.437 553 T N 0.231 114.727 114.554 -0.097 0.000 2.708 553 T HA -0.204 4.159 4.350 0.022 0.000 0.266 553 T C 1.974 176.606 174.700 -0.114 0.000 1.037 553 T CA 1.038 63.124 62.100 -0.024 0.000 1.146 553 T CB -0.216 68.737 68.868 0.142 0.000 0.865 553 T HN 0.234 nan 8.240 nan 0.000 0.435 554 L N 0.809 121.795 121.223 -0.394 0.000 1.994 554 L HA -0.133 4.220 4.340 0.022 0.000 0.208 554 L C 2.792 179.433 176.870 -0.382 0.000 1.071 554 L CA 1.959 56.412 54.840 -0.645 0.000 0.745 554 L CB -0.817 40.472 42.059 -1.283 0.000 0.892 554 L HN 0.303 nan 8.230 nan 0.000 0.431 555 A N -0.679 121.936 122.820 -0.343 0.000 1.902 555 A HA -0.268 4.065 4.320 0.022 0.000 0.217 555 A C 2.060 179.544 177.584 -0.167 0.000 1.181 555 A CA 1.676 53.560 52.037 -0.255 0.000 0.623 555 A CB -0.517 18.351 19.000 -0.219 0.000 0.818 555 A HN 0.634 nan 8.150 nan 0.000 0.443 556 Q N -0.765 118.958 119.800 -0.129 0.000 2.084 556 Q HA -0.106 4.247 4.340 0.022 0.000 0.202 556 Q C 2.436 178.406 176.000 -0.050 0.000 0.978 556 Q CA 1.403 57.160 55.803 -0.076 0.000 0.844 556 Q CB -0.361 28.346 28.738 -0.051 0.000 0.898 556 Q HN 0.692 nan 8.270 nan 0.000 0.426 557 A N 0.174 122.971 122.820 -0.039 0.000 1.898 557 A HA -0.114 4.220 4.320 0.022 0.000 0.216 557 A C 2.301 179.885 177.584 -0.001 0.000 1.181 557 A CA 1.166 53.208 52.037 0.007 0.000 0.620 557 A CB -0.551 18.485 19.000 0.059 0.000 0.819 557 A HN 0.201 nan 8.150 nan 0.000 0.442 558 V N -0.079 119.807 119.914 -0.047 0.000 2.307 558 V HA -0.222 3.911 4.120 0.022 0.000 0.245 558 V C 3.075 179.135 176.094 -0.058 0.000 1.045 558 V CA 1.842 64.111 62.300 -0.051 0.000 1.024 558 V CB -1.321 30.420 31.823 -0.137 0.000 0.651 558 V HN 0.603 nan 8.190 nan 0.000 0.449 559 A N -0.014 122.760 122.820 -0.077 0.000 1.892 559 A HA -0.336 3.997 4.320 0.022 0.000 0.218 559 A C 2.346 179.909 177.584 -0.035 0.000 1.188 559 A CA 2.530 54.530 52.037 -0.062 0.000 0.631 559 A CB -0.615 18.346 19.000 -0.065 0.000 0.822 559 A HN 0.537 nan 8.150 nan 0.000 0.447 560 K N -0.600 119.787 120.400 -0.022 0.000 2.063 560 K HA -0.218 4.116 4.320 0.022 0.000 0.208 560 K C 1.504 178.106 176.600 0.005 0.000 1.048 560 K CA 1.738 58.023 56.287 -0.004 0.000 0.928 560 K CB -0.240 32.264 32.500 0.007 0.000 0.713 560 K HN 0.437 nan 8.250 nan 0.000 0.442 561 N N 0.609 119.315 118.700 0.011 0.000 2.453 561 N HA -0.090 4.663 4.740 0.022 0.000 0.183 561 N C 1.102 176.613 175.510 0.002 0.000 1.041 561 N CA 0.819 53.881 53.050 0.021 0.000 0.900 561 N CB 0.103 38.615 38.487 0.041 0.000 0.961 561 N HN 0.278 nan 8.380 nan 0.000 0.443 562 L N -0.950 120.262 121.223 -0.018 0.000 2.728 562 L HA 0.290 4.643 4.340 0.022 0.000 0.238 562 L C 0.902 177.758 176.870 -0.024 0.000 1.143 562 L CA -0.196 54.625 54.840 -0.033 0.000 0.937 562 L CB -0.023 42.001 42.059 -0.059 0.000 1.225 562 L HN 0.034 nan 8.230 nan 0.000 0.507 563 G N 1.576 110.368 108.800 -0.013 0.000 2.249 563 G HA2 -0.292 3.682 3.960 0.022 0.000 0.273 563 G HA3 -0.292 3.682 3.960 0.022 0.000 0.273 563 G C 0.031 174.923 174.900 -0.013 0.000 1.036 563 G CA 0.216 45.311 45.100 -0.009 0.000 0.824 563 G HN 0.354 nan 8.290 nan 0.000 0.504 564 I N -0.166 120.391 120.570 -0.021 0.000 2.441 564 I HA 0.387 4.570 4.170 0.022 0.000 0.295 564 I C 0.253 176.355 176.117 -0.024 0.000 0.994 564 I CA -0.714 60.572 61.300 -0.024 0.000 1.144 564 I CB 1.706 39.686 38.000 -0.034 0.000 1.314 564 I HN 0.068 nan 8.210 nan 0.000 0.445 565 E N 6.015 126.202 120.200 -0.020 0.000 2.156 565 E HA 0.440 4.803 4.350 0.022 0.000 0.279 565 E C -0.975 175.608 176.600 -0.028 0.000 0.965 565 E CA -0.685 55.702 56.400 -0.022 0.000 0.789 565 E CB 1.760 31.451 29.700 -0.016 0.000 1.098 565 E HN 0.405 nan 8.360 nan 0.000 0.397 566 L N 2.810 124.011 121.223 -0.037 0.000 2.426 566 L HA 0.135 4.488 4.340 0.022 0.000 0.271 566 L C 1.096 177.944 176.870 -0.037 0.000 1.169 566 L CA -0.292 54.521 54.840 -0.044 0.000 0.836 566 L CB 0.232 42.255 42.059 -0.060 0.000 1.112 566 L HN 0.631 nan 8.230 nan 0.000 0.465 567 T N -2.437 112.095 114.554 -0.036 0.000 2.828 567 T HA 0.063 4.426 4.350 0.022 0.000 0.290 567 T C 0.749 175.426 174.700 -0.037 0.000 1.019 567 T CA -0.767 61.315 62.100 -0.030 0.000 1.031 567 T CB 1.076 69.930 68.868 -0.024 0.000 1.001 567 T HN 0.505 nan 8.240 nan 0.000 0.531 568 D N 0.593 120.974 120.400 -0.031 0.000 2.123 568 D HA -0.089 4.564 4.640 0.022 0.000 0.196 568 D C 1.703 177.977 176.300 -0.042 0.000 0.992 568 D CA 1.238 55.218 54.000 -0.033 0.000 0.833 568 D CB -0.328 40.457 40.800 -0.025 0.000 0.954 568 D HN 0.614 nan 8.370 nan 0.000 0.455 569 D N 0.454 120.829 120.400 -0.041 0.000 2.104 569 D HA -0.149 4.504 4.640 0.022 0.000 0.194 569 D C 2.130 178.380 176.300 -0.082 0.000 0.994 569 D CA 0.878 54.848 54.000 -0.051 0.000 0.830 569 D CB -0.313 40.465 40.800 -0.037 0.000 0.959 569 D HN 0.334 nan 8.370 nan 0.000 0.452 570 Q N -0.162 119.587 119.800 -0.085 0.000 2.084 570 Q HA -0.071 4.282 4.340 0.022 0.000 0.202 570 Q C 2.438 178.358 176.000 -0.133 0.000 0.978 570 Q CA 0.721 56.449 55.803 -0.125 0.000 0.844 570 Q CB -0.144 28.535 28.738 -0.098 0.000 0.898 570 Q HN 0.306 nan 8.270 nan 0.000 0.426 571 L N 0.738 121.904 121.223 -0.094 0.000 2.265 571 L HA -0.158 4.195 4.340 0.022 0.000 0.215 571 L C 1.238 178.056 176.870 -0.086 0.000 1.117 571 L CA 0.524 55.313 54.840 -0.084 0.000 0.782 571 L CB -0.174 41.849 42.059 -0.059 0.000 0.914 571 L HN 0.238 nan 8.230 nan 0.000 0.441 572 N N -0.313 118.334 118.700 -0.088 0.000 2.230 572 N HA 0.228 4.981 4.740 0.022 0.000 0.202 572 N C 0.358 175.807 175.510 -0.103 0.000 1.119 572 N CA 0.041 53.044 53.050 -0.079 0.000 0.851 572 N CB 0.532 38.985 38.487 -0.057 0.000 0.990 572 N HN 0.223 nan 8.380 nan 0.000 0.497 573 I N 1.305 121.779 120.570 -0.160 0.000 2.668 573 I HA -0.084 4.099 4.170 0.022 0.000 0.285 573 I C 1.126 177.146 176.117 -0.162 0.000 1.168 573 I CA 0.453 61.622 61.300 -0.219 0.000 1.424 573 I CB 0.435 38.175 38.000 -0.435 0.000 1.377 573 I HN -0.132 nan 8.210 nan 0.000 0.560 574 T N 8.263 122.751 114.554 -0.110 0.000 2.870 574 T HA 0.217 4.581 4.350 0.022 0.000 0.300 574 T C -2.082 172.579 174.700 -0.064 0.000 0.989 574 T CA -1.292 60.770 62.100 -0.064 0.000 1.139 574 T CB 0.444 69.296 68.868 -0.026 0.000 0.920 574 T HN 0.346 nan 8.240 nan 0.000 0.537 575 P HA 0.274 nan 4.420 nan 0.000 0.269 575 P C -2.586 174.729 177.300 0.026 0.000 1.215 575 P CA -1.412 61.675 63.100 -0.022 0.000 0.780 575 P CB -0.480 31.216 31.700 -0.006 0.000 0.898 576 P HA 0.231 nan 4.420 nan 0.000 0.272 576 P C -2.399 174.956 177.300 0.092 0.000 1.230 576 P CA -1.485 61.684 63.100 0.115 0.000 0.788 576 P CB -1.083 30.733 31.700 0.193 0.000 0.949 577 P HA 0.084 nan 4.420 nan 0.000 0.269 577 P C -0.248 177.101 177.300 0.083 0.000 1.215 577 P CA 0.143 63.291 63.100 0.079 0.000 0.780 577 P CB 0.310 32.057 31.700 0.079 0.000 0.898 578 D N 0.063 120.503 120.400 0.068 0.000 2.364 578 D HA 0.019 4.672 4.640 0.022 0.000 0.236 578 D C 0.023 176.370 176.300 0.079 0.000 1.221 578 D CA 0.138 54.175 54.000 0.062 0.000 0.891 578 D CB 0.273 41.104 40.800 0.051 0.000 1.190 578 D HN 0.002 nan 8.370 nan 0.000 0.449 579 V N 2.345 122.296 119.914 0.061 0.000 2.339 579 V HA 0.037 4.170 4.120 0.022 0.000 0.261 579 V C 0.283 176.469 176.094 0.153 0.000 1.058 579 V CA -0.330 62.031 62.300 0.102 0.000 0.897 579 V CB -0.565 31.215 31.823 -0.072 0.000 1.052 579 V HN 0.594 nan 8.190 nan 0.000 0.480 580 N N 4.576 123.384 118.700 0.180 0.000 2.714 580 N HA -0.228 4.525 4.740 0.022 0.000 0.252 580 N C 1.178 176.749 175.510 0.101 0.000 1.014 580 N CA 0.998 54.138 53.050 0.149 0.000 0.735 580 N CB -0.879 37.739 38.487 0.220 0.000 0.924 580 N HN 1.238 nan 8.380 nan 0.000 0.540 581 G N -2.470 106.376 108.800 0.076 0.000 2.205 581 G HA2 -0.327 3.646 3.960 0.022 0.000 0.261 581 G HA3 -0.327 3.646 3.960 0.022 0.000 0.261 581 G C -0.026 174.904 174.900 0.049 0.000 0.980 581 G CA 0.285 45.418 45.100 0.055 0.000 0.632 581 G HN 0.337 nan 8.290 nan 0.000 0.533 582 L N 0.688 121.944 121.223 0.055 0.000 2.331 582 L HA 0.489 4.842 4.340 0.022 0.000 0.278 582 L C 1.313 178.197 176.870 0.025 0.000 1.106 582 L CA 0.372 55.235 54.840 0.039 0.000 0.824 582 L CB 1.375 43.459 42.059 0.040 0.000 1.142 582 L HN 0.163 nan 8.230 nan 0.000 0.443 583 K N 3.349 123.758 120.400 0.015 0.000 2.399 583 K HA 0.175 4.508 4.320 0.022 0.000 0.204 583 K C -0.422 176.173 176.600 -0.009 0.000 1.023 583 K CA -0.023 56.270 56.287 0.010 0.000 1.127 583 K CB 0.375 32.881 32.500 0.011 0.000 0.856 583 K HN 0.653 nan 8.250 nan 0.000 0.514 584 K N -0.404 119.987 120.400 -0.016 0.000 2.894 584 K HA 0.138 4.471 4.320 0.022 0.000 0.293 584 K C -2.398 174.186 176.600 -0.027 0.000 1.091 584 K CA -0.870 55.392 56.287 -0.043 0.000 0.865 584 K CB 0.934 33.390 32.500 -0.073 0.000 1.441 584 K HN -0.185 nan 8.250 nan 0.000 0.361 585 D N 2.339 122.717 120.400 -0.036 0.000 2.478 585 D HA 0.318 4.971 4.640 0.022 0.000 0.240 585 D C -2.128 174.160 176.300 -0.020 0.000 1.364 585 D CA -2.025 51.973 54.000 -0.003 0.000 0.987 585 D CB 2.125 42.945 40.800 0.033 0.000 1.328 585 D HN 0.302 nan 8.370 nan 0.000 0.584 586 P HA -0.097 nan 4.420 nan 0.000 0.225 586 P C 1.250 178.547 177.300 -0.005 0.000 1.148 586 P CA 0.768 63.843 63.100 -0.041 0.000 0.779 586 P CB 0.136 31.819 31.700 -0.029 0.000 0.780 587 S N -0.891 114.838 115.700 0.049 0.000 2.474 587 S HA -0.054 4.429 4.470 0.022 0.000 0.235 587 S C 1.718 176.410 174.600 0.153 0.000 0.997 587 S CA 0.723 58.989 58.200 0.110 0.000 0.949 587 S CB -1.427 61.863 63.200 0.150 0.000 0.766 587 S HN 0.146 nan 8.310 nan 0.000 0.517 588 L N 1.356 122.637 121.223 0.097 0.000 2.492 588 L HA 0.187 4.540 4.340 0.022 0.000 0.223 588 L C 1.506 178.306 176.870 -0.117 0.000 1.132 588 L CA 0.193 55.093 54.840 0.101 0.000 0.850 588 L CB -0.339 41.758 42.059 0.064 0.000 0.966 588 L HN 0.341 nan 8.230 nan 0.000 0.454 589 S N -0.474 115.132 115.700 -0.156 0.000 2.586 589 S HA 0.302 4.785 4.470 0.022 0.000 0.274 589 S C 1.041 175.536 174.600 -0.175 0.000 1.281 589 S CA -0.640 57.408 58.200 -0.253 0.000 1.035 589 S CB 1.451 64.491 63.200 -0.266 0.000 0.962 589 S HN 0.159 nan 8.310 nan 0.000 0.512 590 L N 2.788 123.826 121.223 -0.308 0.000 2.109 590 L HA 0.036 4.389 4.340 0.022 0.000 0.207 590 L C 0.989 177.604 176.870 -0.425 0.000 1.086 590 L CA 1.102 55.661 54.840 -0.467 0.000 0.760 590 L CB -0.281 41.155 42.059 -1.038 0.000 0.910 590 L HN 0.762 nan 8.230 nan 0.000 0.437 591 Y N -2.116 118.187 120.300 0.006 0.000 2.426 591 Y HA 0.332 4.895 4.550 0.022 0.000 0.249 591 Y C 2.193 178.116 175.900 0.038 0.000 1.103 591 Y CA -0.181 57.968 58.100 0.082 0.000 1.256 591 Y CB -0.547 37.994 38.460 0.136 0.000 1.208 591 Y HN -0.033 nan 8.280 nan 0.000 0.519 592 A N 0.665 123.514 122.820 0.048 0.000 1.917 592 A HA -0.126 4.208 4.320 0.022 0.000 0.219 592 A C 0.919 178.538 177.584 0.059 0.000 1.182 592 A CA 1.331 53.369 52.037 0.001 0.000 0.633 592 A CB -0.593 18.353 19.000 -0.090 0.000 0.819 592 A HN 0.155 nan 8.150 nan 0.000 0.448 593 I N 1.121 121.732 120.570 0.069 0.000 2.328 593 I HA 0.266 4.450 4.170 0.022 0.000 0.287 593 I C -2.486 173.701 176.117 0.117 0.000 1.012 593 I CA -2.995 58.353 61.300 0.080 0.000 1.195 593 I CB 0.596 38.633 38.000 0.060 0.000 1.350 593 I HN 0.058 nan 8.210 nan 0.000 0.464 594 P HA 0.067 nan 4.420 nan 0.000 0.262 594 P C -0.179 177.195 177.300 0.122 0.000 1.182 594 P CA 0.320 63.510 63.100 0.151 0.000 0.761 594 P CB 0.578 32.354 31.700 0.127 0.000 0.795 595 D N 1.051 121.531 120.400 0.134 0.000 2.822 595 D HA 0.121 4.774 4.640 0.022 0.000 0.327 595 D C 0.540 176.900 176.300 0.099 0.000 1.577 595 D CA -0.520 53.542 54.000 0.103 0.000 0.785 595 D CB -0.500 40.358 40.800 0.096 0.000 1.199 595 D HN 0.308 nan 8.370 nan 0.000 0.443 596 G N 0.245 109.112 108.800 0.111 0.000 2.414 596 G HA2 0.331 4.305 3.960 0.022 0.000 0.236 596 G HA3 0.331 4.305 3.960 0.022 0.000 0.236 596 G C -0.556 174.382 174.900 0.064 0.000 1.293 596 G CA 0.099 45.259 45.100 0.100 0.000 0.869 596 G HN 0.229 nan 8.290 nan 0.000 0.556 597 D N 1.155 121.586 120.400 0.052 0.000 2.613 597 D HA 0.123 4.776 4.640 0.022 0.000 0.230 597 D C 0.436 176.749 176.300 0.023 0.000 1.365 597 D CA -0.631 53.386 54.000 0.028 0.000 0.976 597 D CB 1.711 42.521 40.800 0.016 0.000 1.415 597 D HN 0.070 nan 8.370 nan 0.000 0.589 598 V N 3.816 123.737 119.914 0.011 0.000 2.951 598 V HA 0.043 4.176 4.120 0.022 0.000 0.255 598 V C 1.185 177.262 176.094 -0.029 0.000 1.088 598 V CA 0.710 63.011 62.300 0.002 0.000 1.109 598 V CB -0.328 31.492 31.823 -0.003 0.000 0.724 598 V HN 0.468 nan 8.190 nan 0.000 0.471 599 K N 0.234 120.609 120.400 -0.042 0.000 2.472 599 K HA 0.259 4.592 4.320 0.022 0.000 0.280 599 K C 1.096 177.652 176.600 -0.072 0.000 1.028 599 K CA 1.031 57.270 56.287 -0.080 0.000 1.045 599 K CB 0.110 32.569 32.500 -0.068 0.000 0.902 599 K HN 0.383 nan 8.250 nan 0.000 0.478 600 G N 3.190 111.913 108.800 -0.129 0.000 2.195 600 G HA2 -0.212 3.761 3.960 0.022 0.000 0.246 600 G HA3 -0.212 3.761 3.960 0.022 0.000 0.246 600 G C 0.055 174.989 174.900 0.058 0.000 0.984 600 G CA -0.226 44.867 45.100 -0.012 0.000 0.633 600 G HN 0.562 nan 8.290 nan 0.000 0.525 601 R N -0.186 120.320 120.500 0.010 0.000 2.652 601 R HA 0.714 5.067 4.340 0.022 0.000 0.271 601 R C 0.039 176.392 176.300 0.089 0.000 1.129 601 R CA -0.116 56.025 56.100 0.068 0.000 1.200 601 R CB 0.968 31.303 30.300 0.059 0.000 1.146 601 R HN 0.660 nan 8.270 nan 0.000 0.581 602 V N 0.289 120.277 119.914 0.124 0.000 2.841 602 V HA 0.463 4.596 4.120 0.022 0.000 0.310 602 V C -1.178 174.984 176.094 0.114 0.000 1.090 602 V CA -0.740 61.649 62.300 0.148 0.000 0.930 602 V CB 2.527 34.465 31.823 0.191 0.000 1.014 602 V HN 0.356 nan 8.190 nan 0.000 0.425 603 V N 5.480 125.455 119.914 0.103 0.000 2.540 603 V HA 0.800 4.933 4.120 0.022 0.000 0.302 603 V C 0.424 176.573 176.094 0.091 0.000 1.035 603 V CA -0.220 62.130 62.300 0.083 0.000 0.873 603 V CB 1.683 33.541 31.823 0.058 0.000 0.992 603 V HN 1.178 nan 8.190 nan 0.000 0.428 604 A N 6.077 128.956 122.820 0.099 0.000 2.328 604 A HA 0.785 5.118 4.320 0.022 0.000 0.284 604 A C -0.455 177.135 177.584 0.010 0.000 1.160 604 A CA -0.227 51.854 52.037 0.074 0.000 0.818 604 A CB 0.063 19.138 19.000 0.124 0.000 1.087 604 A HN 0.772 nan 8.150 nan 0.000 0.504 605 I N 3.535 124.107 120.570 0.004 0.000 2.382 605 I HA 0.211 4.394 4.170 0.022 0.000 0.286 605 I C -0.607 175.512 176.117 0.004 0.000 1.002 605 I CA -0.219 61.085 61.300 0.007 0.000 1.135 605 I CB 1.416 39.435 38.000 0.031 0.000 1.288 605 I HN 0.489 nan 8.210 nan 0.000 0.448 606 L N 7.238 128.452 121.223 -0.016 0.000 2.283 606 L HA 0.415 4.768 4.340 0.022 0.000 0.287 606 L C 0.003 176.971 176.870 0.163 0.000 1.073 606 L CA -0.281 54.606 54.840 0.079 0.000 0.822 606 L CB 0.210 42.181 42.059 -0.147 0.000 1.186 606 L HN 0.452 nan 8.230 nan 0.000 0.436 607 L N 3.562 124.931 121.223 0.245 0.000 2.454 607 L HA 0.398 4.751 4.340 0.022 0.000 0.256 607 L C 0.077 177.115 176.870 0.280 0.000 1.136 607 L CA -0.513 54.421 54.840 0.156 0.000 0.804 607 L CB 1.196 43.254 42.059 -0.001 0.000 1.181 607 L HN 0.707 nan 8.230 nan 0.000 0.469 608 N N -2.348 116.415 118.700 0.105 0.000 2.697 608 N HA 0.231 4.984 4.740 0.022 0.000 0.272 608 N C -0.591 174.881 175.510 -0.065 0.000 1.381 608 N CA -0.771 52.384 53.050 0.175 0.000 0.797 608 N CB 0.734 39.324 38.487 0.172 0.000 1.523 608 N HN 0.518 nan 8.380 nan 0.000 0.518 609 D N -1.704 118.697 120.400 0.002 0.000 2.336 609 D HA -0.005 4.648 4.640 0.022 0.000 0.229 609 D C -0.405 175.858 176.300 -0.062 0.000 1.061 609 D CA 0.552 54.494 54.000 -0.097 0.000 0.875 609 D CB -0.121 40.689 40.800 0.016 0.000 0.904 609 D HN 0.711 nan 8.370 nan 0.000 0.525 610 E N 0.570 120.748 120.200 -0.037 0.000 3.990 610 E HA 0.141 4.505 4.350 0.022 0.000 0.246 610 E C -0.993 175.591 176.600 -0.026 0.000 1.179 610 E CA -0.291 56.090 56.400 -0.032 0.000 1.287 610 E CB 1.149 30.840 29.700 -0.015 0.000 1.241 610 E HN -0.095 nan 8.360 nan 0.000 0.406 611 V N 1.634 121.524 119.914 -0.039 0.000 2.788 611 V HA -0.010 4.123 4.120 0.022 0.000 0.307 611 V C 1.014 177.090 176.094 -0.029 0.000 1.069 611 V CA 0.527 62.810 62.300 -0.028 0.000 1.173 611 V CB 0.618 32.418 31.823 -0.038 0.000 0.925 611 V HN 0.420 nan 8.190 nan 0.000 0.492 612 R N 3.122 123.605 120.500 -0.028 0.000 2.357 612 R HA 0.046 4.399 4.340 0.022 0.000 0.330 612 R C 1.630 177.907 176.300 -0.039 0.000 1.102 612 R CA 0.464 56.542 56.100 -0.036 0.000 0.974 612 R CB 0.307 30.580 30.300 -0.045 0.000 1.002 612 R HN 1.035 nan 8.270 nan 0.000 0.463 613 S N 3.260 118.940 115.700 -0.034 0.000 2.402 613 S HA -0.257 4.226 4.470 0.022 0.000 0.233 613 S C 1.991 176.571 174.600 -0.033 0.000 1.030 613 S CA 1.078 59.259 58.200 -0.032 0.000 1.003 613 S CB -0.159 63.024 63.200 -0.028 0.000 0.813 613 S HN 0.693 nan 8.310 nan 0.000 0.477 614 A N 2.298 125.095 122.820 -0.038 0.000 1.908 614 A HA -0.142 4.191 4.320 0.022 0.000 0.218 614 A C 2.009 179.559 177.584 -0.056 0.000 1.181 614 A CA 1.772 53.784 52.037 -0.042 0.000 0.627 614 A CB -0.898 18.076 19.000 -0.044 0.000 0.818 614 A HN 0.479 nan 8.150 nan 0.000 0.445 615 D N -0.267 120.088 120.400 -0.074 0.000 2.097 615 D HA -0.101 4.552 4.640 0.022 0.000 0.197 615 D C 1.946 178.206 176.300 -0.066 0.000 0.984 615 D CA 0.731 54.666 54.000 -0.108 0.000 0.826 615 D CB -0.350 40.367 40.800 -0.138 0.000 0.973 615 D HN 0.362 nan 8.370 nan 0.000 0.460 616 L N 0.432 121.630 121.223 -0.042 0.000 2.042 616 L HA -0.165 4.188 4.340 0.022 0.000 0.210 616 L C 2.422 179.286 176.870 -0.011 0.000 1.076 616 L CA 0.878 55.706 54.840 -0.020 0.000 0.749 616 L CB -0.240 41.808 42.059 -0.018 0.000 0.893 616 L HN 0.103 nan 8.230 nan 0.000 0.432 617 L N -0.710 120.502 121.223 -0.017 0.000 2.012 617 L HA -0.228 4.125 4.340 0.022 0.000 0.210 617 L C 2.827 179.695 176.870 -0.004 0.000 1.073 617 L CA 1.349 56.183 54.840 -0.009 0.000 0.748 617 L CB -0.729 41.322 42.059 -0.013 0.000 0.891 617 L HN 0.285 nan 8.230 nan 0.000 0.431 618 A N 0.188 123.001 122.820 -0.012 0.000 1.902 618 A HA -0.186 4.148 4.320 0.022 0.000 0.217 618 A C 2.188 179.787 177.584 0.025 0.000 1.181 618 A CA 1.538 53.575 52.037 0.000 0.000 0.623 618 A CB -0.632 18.357 19.000 -0.018 0.000 0.818 618 A HN 0.338 nan 8.150 nan 0.000 0.443 619 I N -0.334 120.252 120.570 0.027 0.000 2.090 619 I HA -0.277 3.906 4.170 0.022 0.000 0.236 619 I C 2.440 178.586 176.117 0.048 0.000 1.064 619 I CA 1.409 62.746 61.300 0.062 0.000 1.324 619 I CB -0.437 37.601 38.000 0.064 0.000 1.044 619 I HN 0.285 nan 8.210 nan 0.000 0.399 620 L N 0.386 121.628 121.223 0.032 0.000 2.042 620 L HA -0.250 4.104 4.340 0.022 0.000 0.210 620 L C 2.600 179.484 176.870 0.023 0.000 1.076 620 L CA 1.509 56.366 54.840 0.029 0.000 0.749 620 L CB -0.601 41.472 42.059 0.023 0.000 0.893 620 L HN 0.246 nan 8.230 nan 0.000 0.432 621 K N 0.067 120.479 120.400 0.019 0.000 2.155 621 K HA -0.114 4.219 4.320 0.022 0.000 0.203 621 K C 2.172 178.780 176.600 0.015 0.000 1.052 621 K CA 1.025 57.320 56.287 0.014 0.000 0.948 621 K CB -0.001 32.505 32.500 0.011 0.000 0.728 621 K HN 0.268 nan 8.250 nan 0.000 0.448 622 A N 1.220 124.053 122.820 0.023 0.000 1.898 622 A HA -0.117 4.216 4.320 0.022 0.000 0.216 622 A C 2.041 179.632 177.584 0.011 0.000 1.181 622 A CA 1.107 53.157 52.037 0.023 0.000 0.620 622 A CB -0.548 18.477 19.000 0.042 0.000 0.819 622 A HN 0.254 nan 8.150 nan 0.000 0.442 623 L N -0.593 120.638 121.223 0.014 0.000 2.017 623 L HA -0.192 4.161 4.340 0.022 0.000 0.208 623 L C 2.718 179.572 176.870 -0.027 0.000 1.073 623 L CA 1.760 56.597 54.840 -0.004 0.000 0.745 623 L CB -0.516 41.549 42.059 0.011 0.000 0.894 623 L HN 0.360 nan 8.230 nan 0.000 0.432 624 K N 0.817 121.210 120.400 -0.011 0.000 2.103 624 K HA -0.182 4.151 4.320 0.022 0.000 0.207 624 K C 1.990 178.575 176.600 -0.025 0.000 1.048 624 K CA 1.605 57.883 56.287 -0.017 0.000 0.930 624 K CB -0.115 32.389 32.500 0.007 0.000 0.716 624 K HN 0.281 nan 8.250 nan 0.000 0.444 625 A N 1.180 123.991 122.820 -0.015 0.000 2.019 625 A HA -0.102 4.231 4.320 0.022 0.000 0.219 625 A C 1.634 179.202 177.584 -0.026 0.000 1.164 625 A CA 1.323 53.351 52.037 -0.015 0.000 0.644 625 A CB -0.088 18.909 19.000 -0.005 0.000 0.805 625 A HN 0.174 nan 8.150 nan 0.000 0.449 626 K N -1.429 118.949 120.400 -0.037 0.000 2.358 626 K HA 0.234 4.567 4.320 0.022 0.000 0.197 626 K C 0.968 177.519 176.600 -0.082 0.000 1.025 626 K CA 0.602 56.861 56.287 -0.046 0.000 1.104 626 K CB 0.000 32.479 32.500 -0.035 0.000 0.855 626 K HN 0.741 nan 8.250 nan 0.000 0.531 627 G N 1.368 110.102 108.800 -0.111 0.000 2.147 627 G HA2 -0.233 3.740 3.960 0.022 0.000 0.244 627 G HA3 -0.233 3.740 3.960 0.022 0.000 0.244 627 G C 0.039 174.722 174.900 -0.362 0.000 1.005 627 G CA 0.195 45.179 45.100 -0.194 0.000 0.713 627 G HN 0.117 nan 8.290 nan 0.000 0.515 628 V N 0.954 120.710 119.914 -0.263 0.000 2.465 628 V HA 0.471 4.604 4.120 0.022 0.000 0.279 628 V C 0.812 176.750 176.094 -0.259 0.000 1.045 628 V CA -0.677 61.470 62.300 -0.254 0.000 0.938 628 V CB 1.023 32.789 31.823 -0.094 0.000 0.986 628 V HN 0.446 nan 8.190 nan 0.000 0.467 629 H N 1.891 120.975 119.070 0.024 0.000 2.508 629 H HA 0.746 5.316 4.556 0.022 0.000 0.358 629 H C 0.225 175.575 175.328 0.036 0.000 1.212 629 H CA 0.096 56.160 56.048 0.027 0.000 1.356 629 H CB 1.237 31.017 29.762 0.030 0.000 1.525 629 H HN 0.841 nan 8.280 nan 0.000 0.578 630 A N 1.161 124.089 122.820 0.181 0.000 2.454 630 A HA 0.560 4.894 4.320 0.022 0.000 0.302 630 A C -1.152 176.490 177.584 0.096 0.000 1.079 630 A CA -1.053 51.051 52.037 0.111 0.000 0.731 630 A CB 1.179 20.225 19.000 0.077 0.000 1.299 630 A HN 0.799 nan 8.150 nan 0.000 0.413 631 K N 2.188 122.637 120.400 0.082 0.000 2.545 631 K HA 0.626 4.959 4.320 0.022 0.000 0.252 631 K C -1.535 175.093 176.600 0.047 0.000 0.948 631 K CA -0.452 55.875 56.287 0.066 0.000 0.827 631 K CB 1.327 33.877 32.500 0.082 0.000 1.128 631 K HN 0.496 nan 8.250 nan 0.000 0.429 632 L N 4.284 125.526 121.223 0.030 0.000 2.315 632 L HA 0.244 4.597 4.340 0.022 0.000 0.283 632 L C -0.619 176.255 176.870 0.008 0.000 1.089 632 L CA -0.867 53.983 54.840 0.017 0.000 0.833 632 L CB 0.135 42.196 42.059 0.003 0.000 1.170 632 L HN 0.477 nan 8.230 nan 0.000 0.442 633 L N 4.538 125.768 121.223 0.012 0.000 2.334 633 L HA 0.597 4.950 4.340 0.022 0.000 0.273 633 L C -0.431 176.373 176.870 -0.109 0.000 1.013 633 L CA -0.336 54.473 54.840 -0.052 0.000 0.816 633 L CB 1.522 43.576 42.059 -0.009 0.000 1.278 633 L HN 0.328 nan 8.230 nan 0.000 0.431 634 Y N -0.775 119.126 120.300 -0.664 0.000 2.840 634 Y HA 0.298 4.861 4.550 0.022 0.000 0.324 634 Y C 0.867 176.040 175.900 -1.212 0.000 1.378 634 Y CA -0.604 57.005 58.100 -0.819 0.000 1.077 634 Y CB 1.475 39.754 38.460 -0.301 0.000 1.361 634 Y HN 0.554 nan 8.280 nan 0.000 0.459 635 S N 0.757 115.553 115.700 -1.506 0.000 2.593 635 S HA 0.261 4.744 4.470 0.022 0.000 0.217 635 S C 0.041 174.353 174.600 -0.481 0.000 0.966 635 S CA 0.345 58.035 58.200 -0.849 0.000 0.914 635 S CB -0.257 62.581 63.200 -0.604 0.000 0.776 635 S HN 0.627 nan 8.310 nan 0.000 0.523 636 R N -1.398 118.888 120.500 -0.357 0.000 2.766 636 R HA 0.613 4.966 4.340 0.022 0.000 0.270 636 R C -0.882 175.410 176.300 -0.013 0.000 1.035 636 R CA -1.115 54.916 56.100 -0.114 0.000 0.911 636 R CB 0.462 30.741 30.300 -0.034 0.000 1.243 636 R HN -0.050 nan 8.270 nan 0.000 0.460 637 M N -0.005 119.593 119.600 -0.003 0.000 2.336 637 M HA 0.538 5.031 4.480 0.022 0.000 0.256 637 M C 0.988 177.306 176.300 0.030 0.000 1.176 637 M CA 0.829 56.134 55.300 0.009 0.000 0.948 637 M CB 0.537 33.134 32.600 -0.005 0.000 1.393 637 M HN 1.054 nan 8.290 nan 0.000 0.528 638 G N 0.752 109.561 108.800 0.014 0.000 2.601 638 G HA2 -0.131 3.843 3.960 0.022 0.000 0.224 638 G HA3 -0.131 3.843 3.960 0.022 0.000 0.224 638 G C -0.838 174.058 174.900 -0.006 0.000 1.171 638 G CA -0.437 44.667 45.100 0.008 0.000 1.009 638 G HN 0.624 nan 8.290 nan 0.000 0.589 639 E N -1.112 119.078 120.200 -0.018 0.000 2.416 639 E HA 0.625 4.988 4.350 0.022 0.000 0.273 639 E C -0.575 175.967 176.600 -0.097 0.000 0.935 639 E CA -0.511 55.858 56.400 -0.052 0.000 0.784 639 E CB 2.966 32.642 29.700 -0.039 0.000 1.301 639 E HN 1.254 nan 8.360 nan 0.000 0.454 640 V N -1.827 117.996 119.914 -0.152 0.000 2.962 640 V HA 0.697 4.830 4.120 0.022 0.000 0.313 640 V C -0.563 175.450 176.094 -0.135 0.000 1.099 640 V CA -0.731 61.442 62.300 -0.212 0.000 0.971 640 V CB 1.919 33.485 31.823 -0.429 0.000 1.028 640 V HN 0.621 nan 8.190 nan 0.000 0.430 641 T N 3.020 117.508 114.554 -0.110 0.000 2.770 641 T HA 0.763 5.126 4.350 0.022 0.000 0.283 641 T C 0.402 175.060 174.700 -0.069 0.000 0.988 641 T CA 0.283 62.339 62.100 -0.073 0.000 0.957 641 T CB 1.284 70.122 68.868 -0.049 0.000 0.930 641 T HN 1.354 nan 8.240 nan 0.000 0.443 642 A N 2.581 125.365 122.820 -0.060 0.000 2.346 642 A HA 0.307 4.641 4.320 0.022 0.000 0.255 642 A C 1.660 179.221 177.584 -0.038 0.000 1.113 642 A CA -0.261 51.745 52.037 -0.050 0.000 0.798 642 A CB 0.048 19.022 19.000 -0.043 0.000 1.073 642 A HN 0.913 nan 8.150 nan 0.000 0.502 643 D N -0.006 120.374 120.400 -0.032 0.000 2.190 643 D HA -0.216 4.437 4.640 0.022 0.000 0.200 643 D C 0.622 176.908 176.300 -0.023 0.000 0.992 643 D CA 1.751 55.736 54.000 -0.026 0.000 0.854 643 D CB -0.326 40.459 40.800 -0.024 0.000 0.936 643 D HN 0.613 nan 8.370 nan 0.000 0.462 644 D N -1.753 118.633 120.400 -0.024 0.000 2.342 644 D HA 0.212 4.866 4.640 0.022 0.000 0.221 644 D C 1.624 177.911 176.300 -0.020 0.000 1.101 644 D CA 0.406 54.394 54.000 -0.020 0.000 0.837 644 D CB -0.005 40.783 40.800 -0.020 0.000 0.938 644 D HN 0.392 nan 8.370 nan 0.000 0.508 645 G N -0.056 108.730 108.800 -0.023 0.000 2.195 645 G HA2 -0.267 3.706 3.960 0.022 0.000 0.246 645 G HA3 -0.267 3.706 3.960 0.022 0.000 0.246 645 G C 0.437 175.322 174.900 -0.024 0.000 0.984 645 G CA 0.212 45.298 45.100 -0.022 0.000 0.633 645 G HN 0.427 nan 8.290 nan 0.000 0.525 646 T N 1.455 115.993 114.554 -0.026 0.000 2.867 646 T HA 0.397 4.760 4.350 0.022 0.000 0.297 646 T C 0.667 175.347 174.700 -0.034 0.000 0.989 646 T CA 0.224 62.308 62.100 -0.026 0.000 1.159 646 T CB 1.964 70.816 68.868 -0.026 0.000 0.928 646 T HN 0.478 nan 8.240 nan 0.000 0.538 647 V N 5.478 125.374 119.914 -0.030 0.000 2.406 647 V HA 0.231 4.364 4.120 0.022 0.000 0.272 647 V C -0.124 175.947 176.094 -0.038 0.000 1.043 647 V CA -0.740 61.538 62.300 -0.037 0.000 0.915 647 V CB 0.920 32.726 31.823 -0.028 0.000 0.988 647 V HN 0.550 nan 8.190 nan 0.000 0.466 648 L N 9.099 130.290 121.223 -0.054 0.000 2.276 648 L HA 0.515 4.868 4.340 0.022 0.000 0.286 648 L C -2.149 174.689 176.870 -0.055 0.000 1.024 648 L CA -2.394 52.413 54.840 -0.055 0.000 0.826 648 L CB 1.427 43.440 42.059 -0.077 0.000 1.211 648 L HN 0.422 nan 8.230 nan 0.000 0.422 649 P HA 0.214 nan 4.420 nan 0.000 0.276 649 P C -0.351 176.934 177.300 -0.025 0.000 1.235 649 P CA -0.081 63.004 63.100 -0.025 0.000 0.772 649 P CB 0.791 32.483 31.700 -0.013 0.000 0.871 650 I N 2.392 122.949 120.570 -0.023 0.000 2.342 650 I HA 0.215 4.398 4.170 0.022 0.000 0.291 650 I C 1.552 177.665 176.117 -0.007 0.000 1.010 650 I CA -0.407 60.884 61.300 -0.015 0.000 1.308 650 I CB 1.457 39.456 38.000 -0.002 0.000 1.400 650 I HN 0.357 nan 8.210 nan 0.000 0.488 651 A N 5.334 128.152 122.820 -0.002 0.000 1.898 651 A HA 0.529 4.862 4.320 0.022 0.000 0.214 651 A C 1.000 178.587 177.584 0.004 0.000 1.183 651 A CA 1.309 53.350 52.037 0.006 0.000 0.622 651 A CB 0.017 19.028 19.000 0.019 0.000 0.824 651 A HN 0.813 nan 8.150 nan 0.000 0.444 652 A N -2.223 120.592 122.820 -0.008 0.000 2.540 652 A HA 0.576 4.909 4.320 0.022 0.000 0.291 652 A C -0.060 177.480 177.584 -0.074 0.000 1.083 652 A CA 0.104 52.132 52.037 -0.015 0.000 0.650 652 A CB -0.242 18.773 19.000 0.025 0.000 1.292 652 A HN 0.787 nan 8.150 nan 0.000 0.435 653 T N -1.730 112.773 114.554 -0.085 0.000 2.881 653 T HA 0.584 4.947 4.350 0.022 0.000 0.278 653 T C 0.885 175.530 174.700 -0.091 0.000 0.982 653 T CA -0.002 61.974 62.100 -0.208 0.000 0.989 653 T CB 0.167 68.945 68.868 -0.150 0.000 1.058 653 T HN 0.469 nan 8.240 nan 0.000 0.529 654 F N 0.492 120.468 119.950 0.043 0.000 2.126 654 F HA 0.022 4.562 4.527 0.022 0.000 0.299 654 F C 2.951 178.879 175.800 0.214 0.000 1.096 654 F CA 0.973 59.055 58.000 0.137 0.000 1.255 654 F CB -0.642 38.417 39.000 0.098 0.000 0.997 654 F HN 0.697 nan 8.300 nan 0.000 0.479 655 A N 0.265 123.251 122.820 0.277 0.000 2.016 655 A HA 0.068 4.401 4.320 0.022 0.000 0.217 655 A C 2.416 180.067 177.584 0.112 0.000 1.162 655 A CA 1.317 53.456 52.037 0.170 0.000 0.662 655 A CB -1.370 17.691 19.000 0.102 0.000 0.812 655 A HN 0.392 nan 8.150 nan 0.000 0.450 656 G N -0.774 108.080 108.800 0.090 0.000 2.421 656 G HA2 0.268 4.241 3.960 0.022 0.000 0.217 656 G HA3 0.268 4.241 3.960 0.022 0.000 0.217 656 G C 0.670 175.617 174.900 0.078 0.000 1.143 656 G CA 0.963 46.099 45.100 0.058 0.000 0.784 656 G HN 1.063 nan 8.290 nan 0.000 0.541 657 A N 0.748 123.648 122.820 0.133 0.000 3.030 657 A HA 0.698 5.032 4.320 0.022 0.000 0.335 657 A C -2.657 175.060 177.584 0.221 0.000 1.089 657 A CA -1.154 50.973 52.037 0.150 0.000 0.807 657 A CB 1.180 20.270 19.000 0.150 0.000 1.099 657 A HN 0.092 nan 8.150 nan 0.000 0.474 658 P HA -0.003 nan 4.420 nan 0.000 0.270 658 P C 1.388 178.520 177.300 -0.280 0.000 1.221 658 P CA 0.507 63.548 63.100 -0.099 0.000 0.788 658 P CB 0.698 32.328 31.700 -0.117 0.000 0.904 659 S N 0.896 116.073 115.700 -0.871 0.000 2.440 659 S HA -0.157 4.326 4.470 0.022 0.000 0.238 659 S C 1.746 176.201 174.600 -0.242 0.000 1.010 659 S CA 1.081 58.909 58.200 -0.621 0.000 0.972 659 S CB -1.331 61.419 63.200 -0.750 0.000 0.774 659 S HN 0.340 nan 8.310 nan 0.000 0.501 660 L N 1.806 122.891 121.223 -0.229 0.000 2.129 660 L HA -0.099 4.254 4.340 0.022 0.000 0.212 660 L C 2.994 179.686 176.870 -0.296 0.000 1.087 660 L CA 1.681 56.382 54.840 -0.231 0.000 0.757 660 L CB -1.459 40.438 42.059 -0.270 0.000 0.896 660 L HN 0.636 nan 8.230 nan 0.000 0.434 661 T N -2.953 111.487 114.554 -0.191 0.000 3.129 661 T HA 0.191 4.554 4.350 0.022 0.000 0.251 661 T C 0.398 175.179 174.700 0.136 0.000 1.117 661 T CA 0.171 62.229 62.100 -0.070 0.000 1.034 661 T CB -0.468 68.466 68.868 0.110 0.000 0.968 661 T HN 0.163 nan 8.240 nan 0.000 0.526 662 V N -2.654 117.306 119.914 0.077 0.000 3.113 662 V HA 0.578 4.711 4.120 0.022 0.000 0.316 662 V C -0.046 176.095 176.094 0.078 0.000 1.125 662 V CA -0.955 61.421 62.300 0.126 0.000 1.026 662 V CB 2.116 34.030 31.823 0.152 0.000 1.080 662 V HN 0.017 nan 8.190 nan 0.000 0.444 663 D N 0.851 121.300 120.400 0.081 0.000 2.355 663 D HA 0.476 5.129 4.640 0.022 0.000 0.206 663 D C 0.560 176.847 176.300 -0.021 0.000 1.010 663 D CA 1.433 55.453 54.000 0.033 0.000 0.875 663 D CB 1.506 42.349 40.800 0.071 0.000 0.966 663 D HN 0.952 nan 8.370 nan 0.000 0.512 664 A N 0.234 123.060 122.820 0.010 0.000 2.610 664 A HA 0.565 4.898 4.320 0.022 0.000 0.291 664 A C -1.505 176.098 177.584 0.033 0.000 1.086 664 A CA -0.533 51.497 52.037 -0.012 0.000 0.677 664 A CB 1.724 20.706 19.000 -0.030 0.000 1.278 664 A HN -0.101 nan 8.150 nan 0.000 0.414 665 V N 1.127 121.052 119.914 0.019 0.000 2.638 665 V HA 0.569 4.702 4.120 0.022 0.000 0.306 665 V C -0.760 175.340 176.094 0.010 0.000 1.052 665 V CA -0.197 62.125 62.300 0.035 0.000 0.885 665 V CB 1.552 33.412 31.823 0.062 0.000 0.999 665 V HN 0.705 nan 8.190 nan 0.000 0.424 666 I N 4.166 124.748 120.570 0.021 0.000 2.465 666 I HA 0.582 4.766 4.170 0.022 0.000 0.291 666 I C -0.915 175.232 176.117 0.049 0.000 1.014 666 I CA -0.974 60.367 61.300 0.068 0.000 1.093 666 I CB 2.328 40.401 38.000 0.122 0.000 1.267 666 I HN 0.274 nan 8.210 nan 0.000 0.431 667 V N 7.302 127.265 119.914 0.083 0.000 2.376 667 V HA 0.364 4.497 4.120 0.022 0.000 0.287 667 V C -2.201 173.954 176.094 0.102 0.000 1.015 667 V CA -1.633 60.706 62.300 0.065 0.000 0.834 667 V CB 1.401 33.252 31.823 0.046 0.000 1.001 667 V HN 0.550 nan 8.190 nan 0.000 0.428 668 P HA 0.232 nan 4.420 nan 0.000 0.276 668 P C 0.150 177.464 177.300 0.023 0.000 1.244 668 P CA -0.311 62.798 63.100 0.015 0.000 0.801 668 P CB 1.081 32.780 31.700 -0.001 0.000 1.006 669 C N 0.729 120.017 119.300 -0.020 0.000 2.640 669 C HA 0.706 5.179 4.460 0.022 0.000 0.330 669 C C 1.287 176.278 174.990 0.000 0.000 1.416 669 C CA 1.645 60.658 59.018 -0.008 0.000 2.396 669 C CB -0.783 26.936 27.740 -0.036 0.000 2.330 669 C HN 0.919 nan 8.230 nan 0.000 0.704 670 G N 0.915 109.716 108.800 0.001 0.000 2.292 670 G HA2 -0.005 3.968 3.960 0.022 0.000 0.194 670 G HA3 -0.005 3.968 3.960 0.022 0.000 0.194 670 G C -0.776 174.129 174.900 0.009 0.000 1.329 670 G CA -0.061 45.041 45.100 0.002 0.000 1.100 670 G HN 0.971 nan 8.290 nan 0.000 0.470 671 N N 1.436 120.148 118.700 0.020 0.000 2.807 671 N HA 0.185 4.939 4.740 0.022 0.000 0.259 671 N C 1.264 176.801 175.510 0.045 0.000 1.149 671 N CA -0.676 52.389 53.050 0.025 0.000 1.042 671 N CB -0.057 38.447 38.487 0.028 0.000 1.367 671 N HN 0.344 nan 8.380 nan 0.000 0.516 672 I N 2.116 122.700 120.570 0.022 0.000 2.493 672 I HA -0.187 3.996 4.170 0.022 0.000 0.254 672 I C 2.414 178.522 176.117 -0.014 0.000 1.160 672 I CA 0.688 61.996 61.300 0.014 0.000 1.445 672 I CB -1.450 36.515 38.000 -0.058 0.000 1.086 672 I HN 0.488 nan 8.210 nan 0.000 0.433 673 A N 0.676 123.483 122.820 -0.022 0.000 2.024 673 A HA -0.272 4.062 4.320 0.022 0.000 0.220 673 A C 2.065 179.666 177.584 0.028 0.000 1.164 673 A CA 1.957 53.982 52.037 -0.020 0.000 0.643 673 A CB -0.691 18.298 19.000 -0.018 0.000 0.806 673 A HN 0.426 nan 8.150 nan 0.000 0.451 674 D N 0.558 121.000 120.400 0.070 0.000 2.123 674 D HA -0.174 4.479 4.640 0.022 0.000 0.196 674 D C 1.546 177.930 176.300 0.141 0.000 0.992 674 D CA 1.915 55.986 54.000 0.119 0.000 0.833 674 D CB -0.211 40.694 40.800 0.176 0.000 0.954 674 D HN 0.646 nan 8.370 nan 0.000 0.455 675 I N -3.866 116.808 120.570 0.174 0.000 4.082 675 I HA 0.490 4.673 4.170 0.022 0.000 0.337 675 I C 1.863 178.105 176.117 0.209 0.000 1.352 675 I CA -0.051 61.373 61.300 0.207 0.000 1.097 675 I CB 0.166 38.342 38.000 0.294 0.000 1.048 675 I HN -0.076 nan 8.210 nan 0.000 0.393 676 A N 1.599 124.467 122.820 0.080 0.000 1.940 676 A HA -0.201 4.133 4.320 0.022 0.000 0.219 676 A C 1.430 179.021 177.584 0.011 0.000 1.176 676 A CA 2.225 54.209 52.037 -0.088 0.000 0.631 676 A CB -0.528 18.355 19.000 -0.196 0.000 0.814 676 A HN 0.492 nan 8.150 nan 0.000 0.446 677 D N -0.832 119.588 120.400 0.032 0.000 2.424 677 D HA 0.072 4.725 4.640 0.022 0.000 0.220 677 D C -0.033 176.298 176.300 0.050 0.000 1.150 677 D CA -0.212 53.807 54.000 0.032 0.000 0.831 677 D CB -0.129 40.677 40.800 0.011 0.000 0.981 677 D HN 0.322 nan 8.370 nan 0.000 0.500 678 N N 0.664 119.409 118.700 0.074 0.000 2.411 678 N HA 0.047 4.800 4.740 0.022 0.000 0.259 678 N C 1.379 176.917 175.510 0.047 0.000 1.103 678 N CA 0.072 53.160 53.050 0.063 0.000 0.954 678 N CB 1.432 39.967 38.487 0.080 0.000 1.085 678 N HN 0.085 nan 8.380 nan 0.000 0.485 679 G N 3.377 112.205 108.800 0.046 0.000 2.440 679 G HA2 -0.266 3.707 3.960 0.022 0.000 0.218 679 G HA3 -0.266 3.707 3.960 0.022 0.000 0.218 679 G C 0.987 175.924 174.900 0.062 0.000 1.154 679 G CA 0.561 45.690 45.100 0.048 0.000 0.767 679 G HN 0.589 nan 8.290 nan 0.000 0.552 680 D N 0.917 121.359 120.400 0.069 0.000 2.117 680 D HA -0.028 4.625 4.640 0.022 0.000 0.197 680 D C 2.814 179.093 176.300 -0.035 0.000 0.987 680 D CA 1.246 55.315 54.000 0.114 0.000 0.829 680 D CB -0.456 40.480 40.800 0.226 0.000 0.961 680 D HN 0.311 nan 8.370 nan 0.000 0.460 681 A N 1.011 123.633 122.820 -0.330 0.000 1.898 681 A HA -0.176 4.157 4.320 0.022 0.000 0.216 681 A C 2.021 179.376 177.584 -0.381 0.000 1.181 681 A CA 1.226 52.823 52.037 -0.733 0.000 0.620 681 A CB -0.451 18.056 19.000 -0.821 0.000 0.819 681 A HN 0.160 nan 8.150 nan 0.000 0.442 682 N N -1.522 117.102 118.700 -0.126 0.000 2.084 682 N HA -0.179 4.574 4.740 0.022 0.000 0.190 682 N C 1.715 177.206 175.510 -0.031 0.000 1.030 682 N CA 1.749 54.778 53.050 -0.034 0.000 0.849 682 N CB -0.442 38.103 38.487 0.096 0.000 1.012 682 N HN 0.681 nan 8.380 nan 0.000 0.423 683 Y N 0.655 120.910 120.300 -0.075 0.000 2.224 683 Y HA -0.279 4.284 4.550 0.022 0.000 0.289 683 Y C 2.403 178.250 175.900 -0.087 0.000 1.146 683 Y CA 1.242 59.299 58.100 -0.072 0.000 1.182 683 Y CB -0.334 38.091 38.460 -0.057 0.000 0.983 683 Y HN 0.028 nan 8.280 nan 0.000 0.524 684 Y N 0.418 120.590 120.300 -0.213 0.000 2.114 684 Y HA -0.351 4.213 4.550 0.022 0.000 0.282 684 Y C 2.104 177.808 175.900 -0.326 0.000 1.165 684 Y CA 2.232 60.177 58.100 -0.257 0.000 1.148 684 Y CB -0.546 37.759 38.460 -0.260 0.000 0.972 684 Y HN 0.123 nan 8.280 nan 0.000 0.504 685 L N -1.197 119.960 121.223 -0.110 0.000 2.093 685 L HA -0.252 4.101 4.340 0.022 0.000 0.208 685 L C 2.445 179.196 176.870 -0.198 0.000 1.085 685 L CA 1.356 56.106 54.840 -0.151 0.000 0.755 685 L CB -0.499 41.424 42.059 -0.226 0.000 0.904 685 L HN 0.293 nan 8.230 nan 0.000 0.435 686 M N -0.588 118.837 119.600 -0.292 0.000 2.117 686 M HA -0.226 4.267 4.480 0.022 0.000 0.262 686 M C 2.261 178.297 176.300 -0.438 0.000 1.065 686 M CA 1.696 56.814 55.300 -0.304 0.000 1.114 686 M CB -0.294 32.131 32.600 -0.291 0.000 1.361 686 M HN 0.208 nan 8.290 nan 0.000 0.408 687 E N 0.390 120.137 120.200 -0.755 0.000 2.047 687 E HA -0.189 4.175 4.350 0.022 0.000 0.191 687 E C 1.972 178.191 176.600 -0.636 0.000 0.987 687 E CA 1.327 57.243 56.400 -0.807 0.000 0.799 687 E CB -0.003 29.189 29.700 -0.846 0.000 0.752 687 E HN 0.477 nan 8.360 nan 0.000 0.449 688 A N 0.136 122.715 122.820 -0.402 0.000 1.933 688 A HA -0.201 4.132 4.320 0.022 0.000 0.218 688 A C 2.010 179.487 177.584 -0.178 0.000 1.175 688 A CA 1.409 53.308 52.037 -0.230 0.000 0.628 688 A CB -0.826 18.106 19.000 -0.115 0.000 0.814 688 A HN 0.555 nan 8.150 nan 0.000 0.444 689 Y N 0.483 120.619 120.300 -0.272 0.000 2.163 689 Y HA -0.176 4.387 4.550 0.022 0.000 0.288 689 Y C 2.396 178.169 175.900 -0.211 0.000 1.136 689 Y CA 2.280 60.253 58.100 -0.211 0.000 1.147 689 Y CB -0.205 38.148 38.460 -0.178 0.000 0.987 689 Y HN 0.298 nan 8.280 nan 0.000 0.509 690 K N -0.505 119.770 120.400 -0.208 0.000 2.103 690 K HA -0.223 4.110 4.320 0.022 0.000 0.207 690 K C 0.837 177.316 176.600 -0.202 0.000 1.048 690 K CA 2.001 58.142 56.287 -0.243 0.000 0.930 690 K CB -0.447 31.867 32.500 -0.309 0.000 0.716 690 K HN 0.579 nan 8.250 nan 0.000 0.444 691 H N 0.624 119.578 119.070 -0.193 0.000 2.592 691 H HA 0.185 4.754 4.556 0.022 0.000 0.291 691 H C -0.018 175.155 175.328 -0.258 0.000 1.052 691 H CA 0.034 55.967 56.048 -0.192 0.000 1.175 691 H CB 0.011 29.657 29.762 -0.194 0.000 1.378 691 H HN 0.130 nan 8.280 nan 0.000 0.576 692 L N -0.212 120.870 121.223 -0.235 0.000 4.232 692 L HA -0.299 4.055 4.340 0.022 0.000 0.415 692 L C -0.259 176.356 176.870 -0.425 0.000 1.168 692 L CA 0.693 55.303 54.840 -0.383 0.000 0.966 692 L CB -1.721 40.091 42.059 -0.412 0.000 2.052 692 L HN 0.347 nan 8.230 nan 0.000 0.887 693 K N 0.642 120.857 120.400 -0.309 0.000 2.144 693 K HA 0.472 4.805 4.320 0.022 0.000 0.270 693 K C -2.124 174.343 176.600 -0.222 0.000 1.005 693 K CA -1.810 54.313 56.287 -0.274 0.000 0.932 693 K CB 0.642 33.036 32.500 -0.176 0.000 1.021 693 K HN -0.212 nan 8.250 nan 0.000 0.462 694 P HA 0.045 nan 4.420 nan 0.000 0.266 694 P C -0.786 176.453 177.300 -0.101 0.000 1.195 694 P CA 0.406 63.410 63.100 -0.160 0.000 0.768 694 P CB 0.430 32.036 31.700 -0.157 0.000 0.838 695 I N 1.660 122.184 120.570 -0.078 0.000 2.582 695 I HA 0.628 4.811 4.170 0.022 0.000 0.292 695 I C -0.489 175.588 176.117 -0.067 0.000 1.066 695 I CA -0.852 60.423 61.300 -0.042 0.000 1.053 695 I CB 2.290 40.294 38.000 0.006 0.000 1.241 695 I HN 0.256 nan 8.210 nan 0.000 0.421 696 A N 7.521 130.311 122.820 -0.050 0.000 2.353 696 A HA 0.850 5.183 4.320 0.022 0.000 0.299 696 A C -1.171 176.516 177.584 0.173 0.000 1.089 696 A CA -0.417 51.572 52.037 -0.079 0.000 0.736 696 A CB 0.999 19.811 19.000 -0.314 0.000 1.195 696 A HN 0.656 nan 8.150 nan 0.000 0.447 697 L N 2.432 123.803 121.223 0.247 0.000 2.319 697 L HA 0.709 5.062 4.340 0.022 0.000 0.281 697 L C 0.363 177.438 176.870 0.341 0.000 1.005 697 L CA -0.540 54.461 54.840 0.269 0.000 0.828 697 L CB 1.842 44.008 42.059 0.177 0.000 1.227 697 L HN 0.779 nan 8.230 nan 0.000 0.415 698 A N 2.381 125.312 122.820 0.185 0.000 2.312 698 A HA 0.830 5.164 4.320 0.022 0.000 0.326 698 A C 0.746 178.321 177.584 -0.015 0.000 1.172 698 A CA 0.342 52.356 52.037 -0.040 0.000 0.821 698 A CB 1.109 19.891 19.000 -0.362 0.000 1.166 698 A HN 0.968 nan 8.150 nan 0.000 0.493 699 G N 1.858 110.640 108.800 -0.029 0.000 2.651 699 G HA2 -0.358 3.615 3.960 0.022 0.000 0.315 699 G HA3 -0.358 3.615 3.960 0.022 0.000 0.315 699 G C 0.525 175.425 174.900 -0.001 0.000 1.258 699 G CA 0.927 46.015 45.100 -0.021 0.000 1.002 699 G HN 0.713 nan 8.290 nan 0.000 0.551 700 D N 1.425 121.818 120.400 -0.011 0.000 2.350 700 D HA 0.226 4.879 4.640 0.022 0.000 0.216 700 D C 2.543 178.831 176.300 -0.021 0.000 0.968 700 D CA 1.476 55.461 54.000 -0.025 0.000 0.894 700 D CB -0.616 40.163 40.800 -0.035 0.000 0.909 700 D HN 0.762 nan 8.370 nan 0.000 0.520 701 A N 0.517 123.365 122.820 0.047 0.000 2.121 701 A HA -0.146 4.187 4.320 0.022 0.000 0.218 701 A C 2.034 179.715 177.584 0.163 0.000 1.154 701 A CA 0.661 52.794 52.037 0.161 0.000 0.679 701 A CB -0.348 18.776 19.000 0.206 0.000 0.795 701 A HN 0.123 nan 8.150 nan 0.000 0.458 702 R N -0.202 120.345 120.500 0.079 0.000 2.293 702 R HA -0.101 4.252 4.340 0.022 0.000 0.219 702 R C 1.650 177.949 176.300 -0.001 0.000 1.091 702 R CA 1.259 57.394 56.100 0.058 0.000 1.004 702 R CB -0.191 30.133 30.300 0.039 0.000 0.865 702 R HN 0.527 nan 8.270 nan 0.000 0.469 703 K N -0.242 120.104 120.400 -0.090 0.000 2.209 703 K HA -0.117 4.216 4.320 0.022 0.000 0.204 703 K C 1.283 177.753 176.600 -0.217 0.000 1.048 703 K CA 1.191 57.364 56.287 -0.190 0.000 0.940 703 K CB -0.066 32.254 32.500 -0.300 0.000 0.729 703 K HN 0.164 nan 8.250 nan 0.000 0.451 704 F N 1.449 121.375 119.950 -0.041 0.000 2.546 704 F HA -0.075 4.465 4.527 0.022 0.000 0.298 704 F C 1.815 177.566 175.800 -0.082 0.000 1.120 704 F CA 0.664 58.627 58.000 -0.061 0.000 1.456 704 F CB -0.014 38.949 39.000 -0.061 0.000 1.088 704 F HN -0.061 nan 8.300 nan 0.000 0.572 705 K N 0.392 120.836 120.400 0.072 0.000 2.103 705 K HA -0.198 4.135 4.320 0.022 0.000 0.207 705 K C 2.323 178.896 176.600 -0.046 0.000 1.048 705 K CA 1.236 57.520 56.287 -0.006 0.000 0.930 705 K CB -0.387 32.108 32.500 -0.009 0.000 0.716 705 K HN 0.259 nan 8.250 nan 0.000 0.444 706 A N 0.847 123.647 122.820 -0.033 0.000 2.019 706 A HA -0.135 4.198 4.320 0.022 0.000 0.219 706 A C 2.107 179.667 177.584 -0.041 0.000 1.164 706 A CA 1.826 53.837 52.037 -0.043 0.000 0.644 706 A CB -0.739 18.235 19.000 -0.044 0.000 0.805 706 A HN 0.257 nan 8.150 nan 0.000 0.449 707 T N 0.767 115.315 114.554 -0.010 0.000 2.777 707 T HA -0.079 4.284 4.350 0.022 0.000 0.266 707 T C 1.515 176.154 174.700 -0.102 0.000 1.040 707 T CA 1.543 63.637 62.100 -0.009 0.000 1.141 707 T CB -0.457 68.459 68.868 0.080 0.000 0.868 707 T HN 0.728 nan 8.240 nan 0.000 0.444 708 I N -1.866 118.586 120.570 -0.196 0.000 3.904 708 I HA 0.338 4.521 4.170 0.022 0.000 0.333 708 I C -0.513 175.352 176.117 -0.420 0.000 1.361 708 I CA -0.466 60.572 61.300 -0.438 0.000 1.116 708 I CB -0.125 37.413 38.000 -0.771 0.000 1.028 708 I HN -0.130 nan 8.210 nan 0.000 0.398 709 K N 1.999 122.273 120.400 -0.209 0.000 3.393 709 K HA -0.118 4.215 4.320 0.022 0.000 0.272 709 K C -0.441 176.085 176.600 -0.124 0.000 1.004 709 K CA 0.539 56.748 56.287 -0.130 0.000 0.764 709 K CB -1.736 30.711 32.500 -0.088 0.000 1.373 709 K HN 0.419 nan 8.250 nan 0.000 0.458 710 I N 0.407 120.907 120.570 -0.117 0.000 2.353 710 I HA 0.296 4.479 4.170 0.022 0.000 0.293 710 I C 1.415 177.513 176.117 -0.032 0.000 0.992 710 I CA -1.100 60.159 61.300 -0.068 0.000 1.268 710 I CB 1.043 39.006 38.000 -0.061 0.000 1.387 710 I HN 0.318 nan 8.210 nan 0.000 0.478 711 A N 4.887 127.700 122.820 -0.013 0.000 2.492 711 A HA 0.052 4.385 4.320 0.022 0.000 0.236 711 A C 1.118 178.699 177.584 -0.005 0.000 1.078 711 A CA -0.061 51.972 52.037 -0.007 0.000 0.773 711 A CB 0.092 19.093 19.000 0.002 0.000 1.023 711 A HN 0.769 nan 8.150 nan 0.000 0.504 712 D N 0.000 120.398 120.400 -0.005 0.000 2.116 712 D HA -0.198 4.455 4.640 0.022 0.000 0.193 712 D C 1.980 178.281 176.300 0.002 0.000 0.998 712 D CA 1.916 55.915 54.000 -0.003 0.000 0.836 712 D CB -0.172 40.626 40.800 -0.003 0.000 0.951 712 D HN 0.772 nan 8.370 nan 0.000 0.449 713 Q N 0.996 120.798 119.800 0.003 0.000 2.291 713 Q HA -0.028 4.325 4.340 0.022 0.000 0.206 713 Q C 0.702 176.707 176.000 0.007 0.000 0.976 713 Q CA 1.428 57.234 55.803 0.005 0.000 0.875 713 Q CB 0.032 28.773 28.738 0.005 0.000 0.927 713 Q HN 0.222 nan 8.270 nan 0.000 0.450 714 G N 0.878 109.682 108.800 0.007 0.000 2.655 714 G HA2 -0.183 3.790 3.960 0.022 0.000 0.680 714 G HA3 -0.183 3.790 3.960 0.022 0.000 0.680 714 G C -1.309 173.597 174.900 0.010 0.000 1.302 714 G CA -0.211 44.894 45.100 0.008 0.000 0.872 714 G HN 0.575 nan 8.290 nan 0.000 0.540 715 E N -1.031 119.176 120.200 0.011 0.000 2.372 715 E HA 0.569 4.932 4.350 0.022 0.000 0.279 715 E C -0.547 176.052 176.600 -0.002 0.000 0.946 715 E CA -0.946 55.463 56.400 0.014 0.000 0.769 715 E CB 1.528 31.250 29.700 0.037 0.000 1.230 715 E HN 0.580 nan 8.360 nan 0.000 0.442 716 E N 0.609 120.800 120.200 -0.015 0.000 2.558 716 E HA 0.153 4.517 4.350 0.022 0.000 0.255 716 E C 0.604 177.168 176.600 -0.061 0.000 0.968 716 E CA 1.844 58.220 56.400 -0.040 0.000 0.939 716 E CB 0.488 30.162 29.700 -0.043 0.000 0.921 716 E HN 0.877 nan 8.360 nan 0.000 0.477 717 G N 3.535 112.285 108.800 -0.082 0.000 2.231 717 G HA2 -0.187 3.786 3.960 0.022 0.000 0.206 717 G HA3 -0.187 3.786 3.960 0.022 0.000 0.206 717 G C 0.061 174.912 174.900 -0.081 0.000 0.996 717 G CA -0.482 44.550 45.100 -0.114 0.000 0.645 717 G HN 0.445 nan 8.290 nan 0.000 0.498 718 I N 2.136 122.681 120.570 -0.043 0.000 2.382 718 I HA 0.505 4.688 4.170 0.022 0.000 0.286 718 I C 0.344 176.418 176.117 -0.072 0.000 1.002 718 I CA -1.069 60.213 61.300 -0.030 0.000 1.135 718 I CB 1.403 39.416 38.000 0.023 0.000 1.288 718 I HN -0.105 nan 8.210 nan 0.000 0.448 719 V N 7.311 127.142 119.914 -0.139 0.000 2.465 719 V HA 0.404 4.537 4.120 0.022 0.000 0.279 719 V C 0.157 176.173 176.094 -0.129 0.000 1.045 719 V CA -0.425 61.735 62.300 -0.233 0.000 0.938 719 V CB 1.337 32.859 31.823 -0.501 0.000 0.986 719 V HN 0.878 nan 8.190 nan 0.000 0.467 720 E N 4.286 124.487 120.200 0.001 0.000 2.343 720 E HA 0.873 5.236 4.350 0.022 0.000 0.278 720 E C -1.014 175.720 176.600 0.224 0.000 0.910 720 E CA -0.926 55.575 56.400 0.168 0.000 0.757 720 E CB 2.521 32.278 29.700 0.095 0.000 1.218 720 E HN 0.804 nan 8.360 nan 0.000 0.435 721 A N 1.888 124.874 122.820 0.278 0.000 2.540 721 A HA 0.360 4.693 4.320 0.022 0.000 0.291 721 A C -0.555 177.071 177.584 0.069 0.000 1.083 721 A CA -0.606 51.536 52.037 0.174 0.000 0.650 721 A CB 1.082 20.233 19.000 0.253 0.000 1.292 721 A HN 0.611 nan 8.150 nan 0.000 0.435 722 D N 0.446 120.859 120.400 0.021 0.000 2.219 722 D HA 0.047 4.700 4.640 0.022 0.000 0.205 722 D C 1.049 177.305 176.300 -0.075 0.000 0.970 722 D CA 2.174 56.163 54.000 -0.018 0.000 0.851 722 D CB 0.082 40.873 40.800 -0.015 0.000 0.943 722 D HN 0.784 nan 8.370 nan 0.000 0.488 723 S N -1.748 113.873 115.700 -0.131 0.000 2.671 723 S HA 0.625 5.108 4.470 0.022 0.000 0.277 723 S C 0.056 174.353 174.600 -0.505 0.000 1.165 723 S CA -0.388 57.666 58.200 -0.243 0.000 0.822 723 S CB 1.771 64.880 63.200 -0.151 0.000 1.150 723 S HN -0.080 nan 8.310 nan 0.000 0.479 724 A N 0.762 123.219 122.820 -0.606 0.000 2.291 724 A HA 0.289 4.622 4.320 0.022 0.000 0.220 724 A C 0.585 178.000 177.584 -0.281 0.000 1.262 724 A CA 0.368 51.882 52.037 -0.872 0.000 0.867 724 A CB -1.340 17.296 19.000 -0.606 0.000 0.888 724 A HN 0.857 nan 8.150 nan 0.000 0.487 725 D N -1.730 118.578 120.400 -0.153 0.000 2.511 725 D HA 0.478 5.131 4.640 0.022 0.000 0.276 725 D C 1.131 177.457 176.300 0.043 0.000 1.220 725 D CA 0.369 54.349 54.000 -0.032 0.000 1.077 725 D CB -0.146 40.631 40.800 -0.038 0.000 1.126 725 D HN 0.603 nan 8.370 nan 0.000 0.583 726 G N 0.077 108.901 108.800 0.039 0.000 2.651 726 G HA2 -0.339 3.634 3.960 0.022 0.000 0.315 726 G HA3 -0.339 3.634 3.960 0.022 0.000 0.315 726 G C 0.881 175.828 174.900 0.079 0.000 1.258 726 G CA 2.015 47.146 45.100 0.052 0.000 1.002 726 G HN 1.388 nan 8.290 nan 0.000 0.551 727 S N -0.026 115.727 115.700 0.088 0.000 2.593 727 S HA 0.343 4.826 4.470 0.022 0.000 0.217 727 S C 1.801 176.470 174.600 0.114 0.000 0.966 727 S CA 1.043 59.290 58.200 0.079 0.000 0.914 727 S CB -0.001 63.228 63.200 0.048 0.000 0.776 727 S HN 0.945 nan 8.310 nan 0.000 0.523 728 F N 2.498 122.446 119.950 -0.002 0.000 2.095 728 F HA -0.082 4.458 4.527 0.022 0.000 0.298 728 F C 2.192 177.989 175.800 -0.005 0.000 1.104 728 F CA 1.687 59.685 58.000 -0.003 0.000 1.232 728 F CB -0.211 38.789 39.000 -0.001 0.000 0.987 728 F HN 0.177 nan 8.300 nan 0.000 0.475 729 M N -0.015 119.736 119.600 0.252 0.000 2.200 729 M HA -0.139 4.354 4.480 0.022 0.000 0.265 729 M C 1.745 178.054 176.300 0.015 0.000 1.066 729 M CA 1.246 56.620 55.300 0.123 0.000 1.127 729 M CB -1.290 31.401 32.600 0.151 0.000 1.379 729 M HN 0.109 nan 8.290 nan 0.000 0.420 730 D N 0.457 120.869 120.400 0.021 0.000 2.144 730 D HA -0.137 4.516 4.640 0.022 0.000 0.199 730 D C 1.945 178.223 176.300 -0.036 0.000 0.984 730 D CA 1.112 55.110 54.000 -0.003 0.000 0.834 730 D CB -0.096 40.709 40.800 0.008 0.000 0.955 730 D HN 0.464 nan 8.370 nan 0.000 0.465 731 E N 0.230 120.392 120.200 -0.063 0.000 2.072 731 E HA -0.101 4.262 4.350 0.022 0.000 0.191 731 E C 2.050 178.568 176.600 -0.137 0.000 0.985 731 E CA 0.166 56.507 56.400 -0.098 0.000 0.801 731 E CB 0.008 29.637 29.700 -0.119 0.000 0.750 731 E HN 0.141 nan 8.360 nan 0.000 0.452 732 L N 0.928 122.038 121.223 -0.187 0.000 2.093 732 L HA -0.117 4.236 4.340 0.022 0.000 0.208 732 L C 1.979 178.786 176.870 -0.105 0.000 1.085 732 L CA 1.491 56.221 54.840 -0.183 0.000 0.755 732 L CB -0.404 41.513 42.059 -0.238 0.000 0.904 732 L HN 0.227 nan 8.230 nan 0.000 0.435 733 L N -0.502 120.679 121.223 -0.070 0.000 2.201 733 L HA -0.159 4.195 4.340 0.022 0.000 0.212 733 L C 2.402 179.249 176.870 -0.038 0.000 1.105 733 L CA 1.208 56.023 54.840 -0.042 0.000 0.775 733 L CB -0.588 41.458 42.059 -0.023 0.000 0.913 733 L HN 0.215 nan 8.230 nan 0.000 0.440 734 T N -0.010 114.517 114.554 -0.045 0.000 2.777 734 T HA -0.108 4.255 4.350 0.022 0.000 0.266 734 T C 1.934 176.605 174.700 -0.049 0.000 1.040 734 T CA 1.083 63.161 62.100 -0.036 0.000 1.141 734 T CB -0.132 68.714 68.868 -0.037 0.000 0.868 734 T HN 0.187 nan 8.240 nan 0.000 0.444 735 L N 0.269 121.444 121.223 -0.080 0.000 2.093 735 L HA -0.019 4.335 4.340 0.022 0.000 0.208 735 L C 2.651 179.457 176.870 -0.105 0.000 1.085 735 L CA 1.180 55.953 54.840 -0.112 0.000 0.755 735 L CB -0.497 41.477 42.059 -0.143 0.000 0.904 735 L HN 0.294 nan 8.230 nan 0.000 0.435 736 M N -0.829 118.727 119.600 -0.074 0.000 2.229 736 M HA -0.137 4.356 4.480 0.022 0.000 0.264 736 M C 2.454 178.760 176.300 0.009 0.000 1.063 736 M CA 1.534 56.810 55.300 -0.041 0.000 1.114 736 M CB -0.430 32.155 32.600 -0.025 0.000 1.387 736 M HN 0.306 nan 8.290 nan 0.000 0.420 737 A N 0.315 123.139 122.820 0.007 0.000 2.019 737 A HA 0.031 4.364 4.320 0.022 0.000 0.219 737 A C 2.176 179.801 177.584 0.069 0.000 1.164 737 A CA 1.724 53.783 52.037 0.038 0.000 0.644 737 A CB -0.612 18.403 19.000 0.025 0.000 0.805 737 A HN 0.495 nan 8.150 nan 0.000 0.449 738 A N -2.803 120.037 122.820 0.033 0.000 2.251 738 A HA 0.337 4.670 4.320 0.022 0.000 0.209 738 A C 0.964 178.581 177.584 0.056 0.000 1.187 738 A CA 1.338 53.407 52.037 0.053 0.000 0.823 738 A CB -0.434 18.550 19.000 -0.026 0.000 0.846 738 A HN 0.981 nan 8.150 nan 0.000 0.486 739 H N -1.507 117.505 119.070 -0.097 0.000 4.823 739 H HA -0.178 4.391 4.556 0.022 0.000 0.064 739 H C -0.042 175.068 175.328 -0.363 0.000 0.599 739 H CA 2.297 58.268 56.048 -0.128 0.000 0.956 739 H CB -0.603 29.189 29.762 0.051 0.000 0.432 739 H HN 0.443 nan 8.280 nan 0.000 0.798 740 R N -0.165 119.775 120.500 -0.933 0.000 2.808 740 R HA 0.599 4.952 4.340 0.022 0.000 0.272 740 R C -0.657 174.789 176.300 -1.423 0.000 0.995 740 R CA -0.305 54.996 56.100 -1.331 0.000 0.917 740 R CB 1.808 31.002 30.300 -1.844 0.000 1.217 740 R HN 0.096 nan 8.270 nan 0.000 0.471 741 V N 2.682 122.010 119.914 -0.976 0.000 2.162 741 V HA 0.091 4.224 4.120 0.022 0.000 0.255 741 V C 0.811 176.542 176.094 -0.605 0.000 1.304 741 V CA -0.434 61.457 62.300 -0.681 0.000 1.198 741 V CB -0.515 31.047 31.823 -0.434 0.000 1.333 741 V HN 0.717 nan 8.190 nan 0.000 0.493 742 W N 1.594 122.613 121.300 -0.469 0.000 2.350 742 W HA -0.225 4.448 4.660 0.022 0.000 0.289 742 W C 2.563 178.866 176.519 -0.360 0.000 1.215 742 W CA 0.944 57.924 57.345 -0.608 0.000 1.236 742 W CB -0.492 28.208 29.460 -1.268 0.000 1.130 742 W HN 0.653 nan 8.180 nan 0.000 0.541 743 S N 0.713 116.364 115.700 -0.082 0.000 2.469 743 S HA -0.173 4.310 4.470 0.022 0.000 0.238 743 S C 1.723 176.286 174.600 -0.062 0.000 0.998 743 S CA 1.023 59.196 58.200 -0.046 0.000 0.957 743 S CB -0.434 62.737 63.200 -0.047 0.000 0.764 743 S HN 0.420 nan 8.310 nan 0.000 0.514 744 R N 0.642 121.066 120.500 -0.127 0.000 2.275 744 R HA 0.243 4.596 4.340 0.022 0.000 0.199 744 R C 1.785 178.021 176.300 -0.106 0.000 0.989 744 R CA 0.365 56.370 56.100 -0.158 0.000 1.016 744 R CB -0.378 29.720 30.300 -0.337 0.000 0.918 744 R HN 0.486 nan 8.270 nan 0.000 0.473 745 I N 1.826 122.373 120.570 -0.039 0.000 2.113 745 I HA -0.269 3.914 4.170 0.022 0.000 0.242 745 I C -0.803 175.340 176.117 0.044 0.000 1.064 745 I CA 1.592 62.912 61.300 0.035 0.000 1.320 745 I CB -1.105 36.960 38.000 0.109 0.000 1.028 745 I HN 0.167 nan 8.210 nan 0.000 0.406 746 P HA -0.169 nan 4.420 nan 0.000 0.216 746 P C 1.243 178.571 177.300 0.047 0.000 1.150 746 P CA 1.518 64.648 63.100 0.050 0.000 0.837 746 P CB -0.019 31.708 31.700 0.044 0.000 0.786 747 K N -0.376 120.046 120.400 0.037 0.000 2.288 747 K HA 0.005 4.339 4.320 0.022 0.000 0.201 747 K C 1.934 178.587 176.600 0.088 0.000 1.048 747 K CA 0.816 57.143 56.287 0.067 0.000 0.956 747 K CB -0.894 31.659 32.500 0.088 0.000 0.746 747 K HN 0.333 nan 8.250 nan 0.000 0.461 748 I N -2.532 118.061 120.570 0.038 0.000 3.226 748 I HA -0.001 4.182 4.170 0.022 0.000 0.277 748 I C 1.465 177.620 176.117 0.064 0.000 1.243 748 I CA 0.699 62.026 61.300 0.045 0.000 1.459 748 I CB 0.026 38.008 38.000 -0.030 0.000 1.093 748 I HN -0.085 nan 8.210 nan 0.000 0.453 749 D N 2.992 123.433 120.400 0.067 0.000 2.154 749 D HA -0.239 4.414 4.640 0.022 0.000 0.190 749 D C 1.657 177.999 176.300 0.070 0.000 1.003 749 D CA 2.511 56.556 54.000 0.074 0.000 0.849 749 D CB 0.107 40.950 40.800 0.072 0.000 0.942 749 D HN 0.632 nan 8.370 nan 0.000 0.446 750 K N 0.286 120.726 120.400 0.066 0.000 2.916 750 K HA 0.080 4.414 4.320 0.022 0.000 0.183 750 K C 0.782 177.419 176.600 0.062 0.000 1.138 750 K CA -0.600 55.722 56.287 0.059 0.000 1.346 750 K CB -0.469 32.063 32.500 0.053 0.000 1.866 750 K HN 0.023 nan 8.250 nan 0.000 0.503 751 I N 2.115 122.720 120.570 0.059 0.000 7.683 751 I HA -0.103 4.081 4.170 0.022 0.000 0.126 751 I C -2.422 173.727 176.117 0.053 0.000 1.653 751 I CA -0.390 60.944 61.300 0.057 0.000 2.302 751 I CB -0.433 37.618 38.000 0.085 0.000 3.342 751 I HN 0.672 nan 8.210 nan 0.000 0.243 752 P HA 0.495 nan 4.420 nan 0.000 0.260 752 P C -0.488 176.867 177.300 0.092 0.000 1.651 752 P CA 0.130 63.266 63.100 0.061 0.000 1.139 752 P CB 0.539 32.269 31.700 0.049 0.000 1.756 753 A N 0.000 122.878 122.820 0.096 0.000 2.254 753 A HA 0.000 4.333 4.320 0.022 0.000 0.244 753 A CA 0.000 52.136 52.037 0.165 0.000 0.836 753 A CB 0.000 19.014 19.000 0.023 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486